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 2oo8_1_X DATA FIRST_RESID 836 DATA SEQUENCE GQVLKARIXX XXXRMDAAIK RMKEXXXKDD HRDFAGELEV LCKLGHHPNI DATA SEQUENCE INLLGACEHX XXXYLAIEYA PHGNLLDFLR KSRVLETDPA FAIANSTAST DATA SEQUENCE LSSQQLLHFA ADVARGMDYL SQKQFIHRDL AARNILVGEN YVAKIADFGL DATA SEQUENCE XXXXXXXXXX XMGRLPVRWM AIESLNYSVY TTNSDVWSYG VLLWEIVSLG DATA SEQUENCE GTPYCGMTCA ELYEKLPQGY RLEKPLNCDD EVYDLMRQCW REKPYERPSF DATA SEQUENCE AQILVSLNRM LEERKTYVNT TLYEKFTYAG ID 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 836 G HA2 0.000 nan 3.960 nan 0.000 0.244 836 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 836 G C 0.000 174.935 174.900 0.059 0.000 0.946 836 G CA 0.000 45.146 45.100 0.076 0.000 0.502 837 Q N -0.875 118.960 119.800 0.060 0.000 2.263 837 Q HA 0.706 5.045 4.340 -0.000 0.000 0.266 837 Q C -1.226 174.804 176.000 0.051 0.000 1.002 837 Q CA -0.674 55.155 55.803 0.044 0.000 0.790 837 Q CB 1.909 30.664 28.738 0.028 0.000 1.272 837 Q HN 1.520 nan 8.270 nan 0.000 0.435 838 V N 1.719 121.660 119.914 0.045 0.000 2.394 838 V HA 0.955 5.075 4.120 -0.000 0.000 0.282 838 V C 0.325 176.443 176.094 0.039 0.000 1.031 838 V CA -0.112 62.219 62.300 0.052 0.000 0.881 838 V CB 0.626 32.482 31.823 0.054 0.000 0.982 838 V HN 1.319 nan 8.190 nan 0.000 0.451 839 L N 3.749 124.995 121.223 0.039 0.000 2.388 839 L HA 0.768 5.108 4.340 -0.000 0.000 0.264 839 L C -0.170 176.701 176.870 0.002 0.000 0.998 839 L CA -1.258 53.591 54.840 0.016 0.000 0.817 839 L CB 1.527 43.588 42.059 0.003 0.000 1.338 839 L HN 0.771 nan 8.230 nan 0.000 0.414 840 K N 1.764 122.134 120.400 -0.050 0.000 2.412 840 K HA 0.698 5.018 4.320 -0.000 0.000 0.281 840 K C -0.002 176.516 176.600 -0.137 0.000 1.027 840 K CA 0.831 57.016 56.287 -0.171 0.000 0.989 840 K CB 0.837 33.127 32.500 -0.350 0.000 0.935 840 K HN 1.444 nan 8.250 nan 0.000 0.475 841 A N 2.529 125.270 122.820 -0.132 0.000 2.564 841 A HA 0.853 5.173 4.320 -0.000 0.000 0.288 841 A C -1.217 176.311 177.584 -0.093 0.000 1.164 841 A CA -0.820 51.165 52.037 -0.087 0.000 0.712 841 A CB 1.534 20.512 19.000 -0.037 0.000 1.303 841 A HN 0.806 nan 8.150 nan 0.000 0.418 842 R N -0.052 120.411 120.500 -0.062 0.000 2.686 842 R HA 0.768 5.108 4.340 -0.000 0.000 0.286 842 R C -0.357 175.927 176.300 -0.026 0.000 0.969 842 R CA -0.008 56.063 56.100 -0.048 0.000 0.898 842 R CB 0.281 30.549 30.300 -0.052 0.000 1.183 842 R HN 1.700 nan 8.270 nan 0.000 0.456 850 M N -0.190 119.407 119.600 -0.004 0.000 2.123 850 M HA 0.205 4.685 4.480 -0.000 0.000 0.263 850 M C 0.802 177.095 176.300 -0.011 0.000 1.069 850 M CA 2.161 57.455 55.300 -0.010 0.000 1.133 850 M CB -0.627 31.963 32.600 -0.017 0.000 1.356 850 M HN 0.791 nan 8.290 nan 0.000 0.415 851 D N 1.306 121.702 120.400 -0.008 0.000 2.417 851 D HA 0.590 5.230 4.640 -0.000 0.000 0.250 851 D C -0.329 175.997 176.300 0.044 0.000 1.166 851 D CA 0.887 54.875 54.000 -0.020 0.000 0.881 851 D CB 0.923 41.714 40.800 -0.016 0.000 1.164 851 D HN 0.666 nan 8.370 nan 0.000 0.467 852 A N 1.429 124.254 122.820 0.008 0.000 2.498 852 A HA 0.770 5.090 4.320 -0.000 0.000 0.298 852 A C -1.084 176.566 177.584 0.110 0.000 1.075 852 A CA -0.700 51.387 52.037 0.083 0.000 0.714 852 A CB 1.765 20.792 19.000 0.045 0.000 1.299 852 A HN 0.492 nan 8.150 nan 0.000 0.407 853 A N 1.335 124.282 122.820 0.211 0.000 2.304 853 A HA 0.754 5.074 4.320 -0.000 0.000 0.323 853 A C -0.646 177.008 177.584 0.115 0.000 1.195 853 A CA -0.337 51.817 52.037 0.196 0.000 0.826 853 A CB 0.143 19.300 19.000 0.262 0.000 1.184 853 A HN 0.723 nan 8.150 nan 0.000 0.496 854 I N 1.772 122.394 120.570 0.088 0.000 2.436 854 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 854 I C -0.139 176.035 176.117 0.095 0.000 1.010 854 I CA -0.769 60.580 61.300 0.083 0.000 1.098 854 I CB 2.136 40.174 38.000 0.064 0.000 1.266 854 I HN 0.661 nan 8.210 nan 0.000 0.434 855 K N 5.212 125.685 120.400 0.122 0.000 2.316 855 K HA 0.499 4.819 4.320 -0.000 0.000 0.289 855 K C -0.014 176.700 176.600 0.190 0.000 1.070 855 K CA -0.159 56.222 56.287 0.156 0.000 0.928 855 K CB 0.598 33.206 32.500 0.179 0.000 1.039 855 K HN 0.721 nan 8.250 nan 0.000 0.480 856 R N 4.606 125.177 120.500 0.119 0.000 2.255 856 R HA 0.497 4.837 4.340 -0.000 0.000 0.326 856 R C -0.623 175.696 176.300 0.032 0.000 0.986 856 R CA -0.450 55.689 56.100 0.066 0.000 0.847 856 R CB 0.780 31.100 30.300 0.035 0.000 1.111 856 R HN 0.634 nan 8.270 nan 0.000 0.452 857 M N 2.661 122.225 119.600 -0.061 0.000 2.224 857 M HA 0.415 4.895 4.480 -0.000 0.000 0.281 857 M C -0.417 175.759 176.300 -0.206 0.000 1.025 857 M CA -0.856 54.357 55.300 -0.144 0.000 0.954 857 M CB 1.700 34.130 32.600 -0.282 0.000 1.639 857 M HN 0.870 nan 8.290 nan 0.000 0.461 858 K N 2.175 122.508 120.400 -0.110 0.000 2.350 858 K HA 0.594 4.914 4.320 -0.000 0.000 0.279 858 K C 0.226 176.779 176.600 -0.079 0.000 1.027 858 K CA 0.501 56.738 56.287 -0.084 0.000 0.969 858 K CB -0.218 32.258 32.500 -0.040 0.000 0.954 858 K HN 0.842 nan 8.250 nan 0.000 0.474 864 D N 1.730 122.169 120.400 0.065 0.000 2.091 864 D HA -0.075 4.565 4.640 -0.000 0.000 0.199 864 D C 1.163 177.515 176.300 0.087 0.000 0.980 864 D CA 1.471 55.510 54.000 0.065 0.000 0.831 864 D CB -0.132 40.696 40.800 0.046 0.000 0.987 864 D HN 0.496 nan 8.370 nan 0.000 0.460 865 D N -0.157 120.297 120.400 0.090 0.000 2.133 865 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 865 D C 1.940 178.324 176.300 0.140 0.000 0.997 865 D CA 0.913 54.977 54.000 0.105 0.000 0.840 865 D CB -0.491 40.359 40.800 0.083 0.000 0.947 865 D HN 0.372 nan 8.370 nan 0.000 0.452 866 H N 0.357 119.457 119.070 0.049 0.000 2.353 866 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 866 H C 2.318 177.702 175.328 0.094 0.000 1.090 866 H CA 2.325 58.404 56.048 0.052 0.000 1.327 866 H CB 0.342 30.111 29.762 0.013 0.000 1.383 866 H HN 0.108 nan 8.280 nan 0.000 0.508 867 R N 1.102 121.705 120.500 0.172 0.000 2.075 867 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 867 R C 2.007 178.346 176.300 0.065 0.000 1.126 867 R CA 1.672 57.837 56.100 0.109 0.000 0.963 867 R CB -0.901 29.454 30.300 0.091 0.000 0.858 867 R HN 0.438 nan 8.270 nan 0.000 0.435 868 D N -0.587 119.858 120.400 0.075 0.000 2.117 868 D HA -0.061 4.579 4.640 -0.000 0.000 0.198 868 D C 1.660 177.991 176.300 0.050 0.000 0.982 868 D CA 1.099 55.130 54.000 0.051 0.000 0.828 868 D CB -0.453 40.380 40.800 0.055 0.000 0.967 868 D HN 0.439 nan 8.370 nan 0.000 0.464 869 F N 1.713 121.627 119.950 -0.060 0.000 2.102 869 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 869 F C 2.276 178.015 175.800 -0.101 0.000 1.105 869 F CA 1.587 59.538 58.000 -0.080 0.000 1.239 869 F CB -0.101 38.834 39.000 -0.107 0.000 0.991 869 F HN -0.062 nan 8.300 nan 0.000 0.474 870 A N 0.306 123.196 122.820 0.117 0.000 1.883 870 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 870 A C 2.470 180.033 177.584 -0.034 0.000 1.186 870 A CA 1.852 53.903 52.037 0.023 0.000 0.624 870 A CB -1.838 17.156 19.000 -0.010 0.000 0.822 870 A HN 0.515 nan 8.150 nan 0.000 0.444 871 G N -0.584 108.201 108.800 -0.025 0.000 2.459 871 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 871 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 871 G C 1.483 176.339 174.900 -0.072 0.000 1.183 871 G CA 1.267 46.346 45.100 -0.036 0.000 0.776 871 G HN 0.685 nan 8.290 nan 0.000 0.552 872 E N -0.306 119.825 120.200 -0.114 0.000 2.058 872 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 872 E C 2.386 178.871 176.600 -0.192 0.000 0.997 872 E CA 1.125 57.430 56.400 -0.159 0.000 0.801 872 E CB -0.279 29.292 29.700 -0.214 0.000 0.746 872 E HN 0.274 nan 8.360 nan 0.000 0.450 873 L N 1.561 122.626 121.223 -0.262 0.000 2.012 873 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 873 L C 2.266 179.066 176.870 -0.117 0.000 1.073 873 L CA 2.477 57.185 54.840 -0.219 0.000 0.748 873 L CB -0.809 41.116 42.059 -0.223 0.000 0.891 873 L HN 0.222 nan 8.230 nan 0.000 0.431 874 E N -0.831 119.320 120.200 -0.082 0.000 2.070 874 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 874 E C 2.033 178.606 176.600 -0.046 0.000 1.004 874 E CA 2.283 58.655 56.400 -0.046 0.000 0.805 874 E CB -0.430 29.254 29.700 -0.028 0.000 0.744 874 E HN 0.351 nan 8.360 nan 0.000 0.451 875 V N 0.727 120.612 119.914 -0.049 0.000 2.261 875 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 875 V C 2.489 178.539 176.094 -0.074 0.000 1.047 875 V CA 1.974 64.258 62.300 -0.027 0.000 1.015 875 V CB -0.567 31.262 31.823 0.010 0.000 0.642 875 V HN 0.362 nan 8.190 nan 0.000 0.446 876 L N -0.782 120.376 121.223 -0.108 0.000 2.127 876 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 876 L C 2.576 179.365 176.870 -0.135 0.000 1.089 876 L CA 1.372 56.127 54.840 -0.141 0.000 0.757 876 L CB -0.884 41.088 42.059 -0.145 0.000 0.899 876 L HN 0.423 nan 8.230 nan 0.000 0.434 877 C N -0.080 119.162 119.300 -0.095 0.000 2.432 877 C HA -0.111 4.349 4.460 -0.000 0.000 0.280 877 C C 2.584 177.534 174.990 -0.066 0.000 1.353 877 C CA 0.610 59.587 59.018 -0.069 0.000 1.766 877 C CB -0.694 27.023 27.740 -0.039 0.000 1.924 877 C HN 0.409 nan 8.230 nan 0.000 0.509 878 K N 0.330 120.689 120.400 -0.069 0.000 2.426 878 K HA 0.176 4.496 4.320 -0.000 0.000 0.193 878 K C 1.510 178.055 176.600 -0.092 0.000 1.028 878 K CA 0.385 56.638 56.287 -0.058 0.000 1.047 878 K CB 0.031 32.511 32.500 -0.034 0.000 0.821 878 K HN 0.520 nan 8.250 nan 0.000 0.513 879 L N 0.043 121.184 121.223 -0.137 0.000 2.341 879 L HA 0.029 4.369 4.340 -0.000 0.000 0.214 879 L C 1.236 178.070 176.870 -0.060 0.000 1.115 879 L CA 0.488 55.229 54.840 -0.165 0.000 0.820 879 L CB -0.701 41.213 42.059 -0.241 0.000 0.944 879 L HN 0.339 nan 8.230 nan 0.000 0.452 880 G N 0.007 108.737 108.800 -0.116 0.000 2.562 880 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.250 880 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.250 880 G C -0.419 174.291 174.900 -0.317 0.000 1.269 880 G CA -0.457 44.607 45.100 -0.061 0.000 0.919 880 G HN 0.363 nan 8.290 nan 0.000 0.574 881 H N 0.101 119.227 119.070 0.094 0.000 2.759 881 H HA 0.651 5.207 4.556 -0.000 0.000 0.354 881 H C -0.589 174.663 175.328 -0.128 0.000 1.074 881 H CA -0.257 55.781 56.048 -0.016 0.000 1.226 881 H CB 2.051 31.797 29.762 -0.026 0.000 1.648 881 H HN 0.808 nan 8.280 nan 0.000 0.529 882 H N 2.912 121.837 119.070 -0.242 0.000 3.079 882 H HA 0.126 4.682 4.556 -0.000 0.000 0.356 882 H C -2.461 172.732 175.328 -0.226 0.000 1.221 882 H CA -1.586 54.213 56.048 -0.415 0.000 1.185 882 H CB 2.974 32.123 29.762 -1.022 0.000 1.882 882 H HN 0.283 nan 8.280 nan 0.000 0.543 883 P HA -0.013 nan 4.420 nan 0.000 0.222 883 P C 0.059 177.314 177.300 -0.076 0.000 1.147 883 P CA 1.203 64.143 63.100 -0.267 0.000 0.790 883 P CB 0.254 31.769 31.700 -0.309 0.000 0.780 884 N N -0.584 118.178 118.700 0.104 0.000 2.251 884 N HA 0.184 4.923 4.740 -0.000 0.000 0.217 884 N C 0.341 175.892 175.510 0.068 0.000 1.124 884 N CA -0.264 52.865 53.050 0.132 0.000 0.843 884 N CB -0.078 38.520 38.487 0.186 0.000 1.024 884 N HN 0.282 nan 8.380 nan 0.000 0.501 885 I N -2.239 118.349 120.570 0.029 0.000 2.846 885 I HA 0.524 4.694 4.170 -0.000 0.000 0.307 885 I C 0.191 176.281 176.117 -0.045 0.000 1.053 885 I CA -1.730 59.549 61.300 -0.035 0.000 1.050 885 I CB 1.202 39.162 38.000 -0.067 0.000 1.239 885 I HN -0.162 nan 8.210 nan 0.000 0.439 886 I N 0.909 121.439 120.570 -0.066 0.000 2.948 886 I HA 0.191 4.361 4.170 -0.000 0.000 0.290 886 I C -0.137 175.952 176.117 -0.046 0.000 1.226 886 I CA 0.290 61.557 61.300 -0.055 0.000 1.413 886 I CB 0.052 38.010 38.000 -0.071 0.000 1.352 886 I HN 0.723 nan 8.210 nan 0.000 0.597 887 N N 4.866 123.566 118.700 -0.001 0.000 2.558 887 N HA 0.271 5.011 4.740 -0.000 0.000 0.242 887 N C -1.096 174.452 175.510 0.064 0.000 0.979 887 N CA -0.701 52.390 53.050 0.068 0.000 0.931 887 N CB 0.983 39.524 38.487 0.090 0.000 1.122 887 N HN 0.715 nan 8.380 nan 0.000 0.508 888 L N 4.728 125.973 121.223 0.035 0.000 2.597 888 L HA 0.157 4.497 4.340 -0.000 0.000 0.271 888 L C 0.601 177.541 176.870 0.116 0.000 1.157 888 L CA 0.533 55.394 54.840 0.036 0.000 0.928 888 L CB 0.007 42.047 42.059 -0.032 0.000 1.216 888 L HN 0.667 nan 8.230 nan 0.000 0.481 889 L N 4.777 126.042 121.223 0.070 0.000 2.102 889 L HA 0.362 4.702 4.340 -0.000 0.000 0.202 889 L C 1.193 178.093 176.870 0.050 0.000 1.076 889 L CA 0.704 55.580 54.840 0.060 0.000 0.761 889 L CB -0.549 41.536 42.059 0.043 0.000 0.921 889 L HN 0.865 nan 8.230 nan 0.000 0.444 890 G N -1.394 107.431 108.800 0.041 0.000 2.313 890 G HA2 0.534 4.494 3.960 -0.000 0.000 0.296 890 G HA3 0.534 4.494 3.960 -0.000 0.000 0.296 890 G C -2.185 172.739 174.900 0.040 0.000 1.356 890 G CA -0.054 45.069 45.100 0.037 0.000 0.833 890 G HN 0.179 nan 8.290 nan 0.000 0.552 891 A N -1.445 121.405 122.820 0.050 0.000 2.454 891 A HA 0.994 5.314 4.320 -0.000 0.000 0.302 891 A C 0.006 177.644 177.584 0.091 0.000 1.079 891 A CA -0.048 52.044 52.037 0.091 0.000 0.731 891 A CB 1.215 20.279 19.000 0.107 0.000 1.299 891 A HN 2.584 nan 8.150 nan 0.000 0.413 892 C N -1.529 117.836 119.300 0.109 0.000 3.239 892 C HA 0.990 5.450 4.460 -0.000 0.000 0.317 892 C C -0.395 174.628 174.990 0.056 0.000 1.310 892 C CA 0.278 59.338 59.018 0.070 0.000 1.371 892 C CB 0.879 28.648 27.740 0.048 0.000 1.714 892 C HN 1.659 nan 8.230 nan 0.000 0.473 893 E N -0.797 119.421 120.200 0.030 0.000 2.165 893 E HA 0.742 5.092 4.350 -0.000 0.000 0.266 893 E C -0.429 176.171 176.600 0.001 0.000 0.889 893 E CA 0.412 56.814 56.400 0.003 0.000 0.756 893 E CB 0.610 30.311 29.700 0.002 0.000 1.131 893 E HN 2.218 nan 8.360 nan 0.000 0.411 900 L N 4.151 125.560 121.223 0.309 0.000 2.372 900 L HA 1.005 5.345 4.340 -0.000 0.000 0.274 900 L C -0.116 176.796 176.870 0.070 0.000 0.988 900 L CA -1.248 53.662 54.840 0.117 0.000 0.833 900 L CB 1.410 43.383 42.059 -0.143 0.000 1.236 900 L HN 1.721 nan 8.230 nan 0.000 0.410 901 A N 6.302 129.152 122.820 0.050 0.000 2.331 901 A HA 0.844 5.164 4.320 -0.000 0.000 0.320 901 A C -0.661 176.948 177.584 0.041 0.000 1.138 901 A CA -0.536 51.533 52.037 0.053 0.000 0.790 901 A CB 0.831 19.863 19.000 0.053 0.000 1.206 901 A HN 0.887 nan 8.150 nan 0.000 0.470 902 I N -1.046 119.557 120.570 0.055 0.000 2.846 902 I HA 0.640 4.810 4.170 -0.000 0.000 0.307 902 I C 0.033 176.195 176.117 0.074 0.000 1.053 902 I CA -0.858 60.473 61.300 0.052 0.000 1.050 902 I CB 1.696 39.716 38.000 0.034 0.000 1.239 902 I HN 0.730 nan 8.210 nan 0.000 0.439 903 E N 2.268 122.505 120.200 0.062 0.000 2.452 903 E HA -0.046 4.304 4.350 -0.000 0.000 0.261 903 E C -1.397 175.258 176.600 0.092 0.000 0.987 903 E CA -0.105 56.337 56.400 0.070 0.000 0.926 903 E CB 0.505 30.229 29.700 0.040 0.000 0.934 903 E HN 0.563 nan 8.360 nan 0.000 0.452 904 Y N 2.719 123.008 120.300 -0.019 0.000 2.346 904 Y HA 0.323 4.873 4.550 -0.000 0.000 0.330 904 Y C -0.360 175.510 175.900 -0.050 0.000 1.178 904 Y CA -0.179 57.903 58.100 -0.029 0.000 1.331 904 Y CB 1.017 39.452 38.460 -0.042 0.000 1.253 904 Y HN 0.497 nan 8.280 nan 0.000 0.529 905 A N 8.428 130.814 122.820 -0.723 0.000 2.293 905 A HA 0.426 4.746 4.320 -0.000 0.000 0.312 905 A C -2.165 174.942 177.584 -0.794 0.000 1.309 905 A CA -1.507 50.206 52.037 -0.540 0.000 0.839 905 A CB 0.553 19.363 19.000 -0.317 0.000 1.155 905 A HN 0.657 nan 8.150 nan 0.000 0.501 906 P HA -0.101 nan 4.420 nan 0.000 0.225 906 P C 0.489 177.537 177.300 -0.419 0.000 1.156 906 P CA 1.184 64.041 63.100 -0.404 0.000 0.787 906 P CB 0.092 31.553 31.700 -0.399 0.000 0.802 907 H N -0.698 118.263 119.070 -0.182 0.000 2.539 907 H HA 0.294 4.850 4.556 -0.000 0.000 0.269 907 H C 1.494 176.772 175.328 -0.084 0.000 0.980 907 H CA 0.786 56.771 56.048 -0.105 0.000 1.152 907 H CB -0.207 29.390 29.762 -0.275 0.000 1.407 907 H HN 0.153 nan 8.280 nan 0.000 0.564 908 G N 1.969 110.715 108.800 -0.090 0.000 2.698 908 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.233 908 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.233 908 G C -0.000 174.872 174.900 -0.047 0.000 1.352 908 G CA -0.198 44.858 45.100 -0.074 0.000 0.879 908 G HN 0.621 nan 8.290 nan 0.000 0.567 909 N N -0.722 117.971 118.700 -0.012 0.000 2.483 909 N HA 0.458 5.198 4.740 -0.000 0.000 0.269 909 N C 1.275 176.805 175.510 0.033 0.000 1.209 909 N CA 0.010 53.082 53.050 0.037 0.000 0.969 909 N CB 1.131 39.662 38.487 0.074 0.000 1.173 909 N HN 1.002 nan 8.380 nan 0.000 0.475 910 L N 1.096 122.315 121.223 -0.007 0.000 2.141 910 L HA 0.077 4.417 4.340 -0.000 0.000 0.209 910 L C 1.684 178.581 176.870 0.045 0.000 1.094 910 L CA 1.184 55.988 54.840 -0.060 0.000 0.763 910 L CB -0.852 41.107 42.059 -0.167 0.000 0.908 910 L HN 0.799 nan 8.230 nan 0.000 0.437 911 L N -0.415 120.847 121.223 0.065 0.000 2.017 911 L HA -0.202 4.137 4.340 -0.000 0.000 0.208 911 L C 2.013 178.932 176.870 0.082 0.000 1.073 911 L CA 1.997 56.890 54.840 0.088 0.000 0.745 911 L CB -0.896 41.221 42.059 0.098 0.000 0.894 911 L HN 0.296 nan 8.230 nan 0.000 0.432 912 D N -1.136 119.314 120.400 0.082 0.000 2.144 912 D HA -0.204 4.436 4.640 -0.000 0.000 0.200 912 D C 2.032 178.390 176.300 0.097 0.000 0.978 912 D CA 1.233 55.277 54.000 0.072 0.000 0.833 912 D CB -0.273 40.564 40.800 0.061 0.000 0.961 912 D HN 0.360 nan 8.370 nan 0.000 0.470 913 F N 1.388 121.327 119.950 -0.019 0.000 2.102 913 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 913 F C 2.212 178.005 175.800 -0.012 0.000 1.105 913 F CA 1.087 59.080 58.000 -0.012 0.000 1.239 913 F CB -0.334 38.642 39.000 -0.039 0.000 0.991 913 F HN -0.122 nan 8.300 nan 0.000 0.474 914 L N -0.304 120.972 121.223 0.087 0.000 2.042 914 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 914 L C 2.620 179.447 176.870 -0.071 0.000 1.076 914 L CA 1.611 56.460 54.840 0.015 0.000 0.749 914 L CB -0.619 41.475 42.059 0.059 0.000 0.893 914 L HN 0.053 nan 8.230 nan 0.000 0.432 915 R N 0.107 120.571 120.500 -0.059 0.000 2.090 915 R HA -0.126 4.214 4.340 -0.000 0.000 0.228 915 R C 2.680 178.892 176.300 -0.147 0.000 1.110 915 R CA 1.496 57.536 56.100 -0.099 0.000 0.973 915 R CB -0.397 29.873 30.300 -0.049 0.000 0.869 915 R HN 0.306 nan 8.270 nan 0.000 0.440 916 K N 0.875 121.186 120.400 -0.147 0.000 2.280 916 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 916 K C 1.805 178.270 176.600 -0.225 0.000 1.047 916 K CA 1.765 57.949 56.287 -0.173 0.000 0.942 916 K CB -0.777 31.623 32.500 -0.167 0.000 0.739 916 K HN 0.399 nan 8.250 nan 0.000 0.457 917 S N 0.198 115.738 115.700 -0.266 0.000 2.522 917 S HA -0.028 4.442 4.470 -0.000 0.000 0.227 917 S C 1.098 175.626 174.600 -0.121 0.000 0.986 917 S CA -0.077 57.989 58.200 -0.224 0.000 0.929 917 S CB -0.283 62.786 63.200 -0.219 0.000 0.769 917 S HN 0.571 nan 8.310 nan 0.000 0.529 918 R N 1.395 121.794 120.500 -0.168 0.000 3.572 918 R HA 0.173 4.513 4.340 -0.000 0.000 0.186 918 R C 1.051 177.329 176.300 -0.037 0.000 1.727 918 R CA 0.008 55.973 56.100 -0.225 0.000 1.267 918 R CB -0.168 29.714 30.300 -0.698 0.000 1.318 918 R HN 0.255 nan 8.270 nan 0.000 0.718 919 V N 2.688 122.648 119.914 0.075 0.000 2.626 919 V HA -0.190 3.930 4.120 -0.000 0.000 0.252 919 V C 1.767 177.941 176.094 0.134 0.000 1.067 919 V CA 1.405 63.750 62.300 0.074 0.000 1.081 919 V CB -0.146 31.731 31.823 0.089 0.000 0.686 919 V HN 0.609 nan 8.190 nan 0.000 0.468 920 L N 0.244 121.595 121.223 0.213 0.000 2.127 920 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 920 L C 2.270 179.255 176.870 0.193 0.000 1.089 920 L CA 2.229 57.186 54.840 0.195 0.000 0.757 920 L CB -0.471 41.708 42.059 0.201 0.000 0.899 920 L HN 0.436 nan 8.230 nan 0.000 0.434 921 E N -2.093 118.225 120.200 0.196 0.000 2.140 921 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 921 E C 1.901 178.526 176.600 0.043 0.000 0.973 921 E CA 1.134 57.596 56.400 0.104 0.000 0.829 921 E CB 0.064 29.788 29.700 0.040 0.000 0.781 921 E HN 0.401 nan 8.360 nan 0.000 0.466 922 T N 0.160 114.724 114.554 0.017 0.000 2.942 922 T HA -0.073 4.277 4.350 -0.000 0.000 0.265 922 T C 0.361 175.065 174.700 0.006 0.000 1.062 922 T CA 1.094 63.187 62.100 -0.011 0.000 1.139 922 T CB 0.131 68.968 68.868 -0.053 0.000 0.883 922 T HN -0.032 nan 8.240 nan 0.000 0.468 923 D N -0.328 120.094 120.400 0.037 0.000 3.036 923 D HA 0.192 4.832 4.640 -0.000 0.000 0.244 923 D C -2.264 174.101 176.300 0.110 0.000 1.337 923 D CA -1.410 52.625 54.000 0.059 0.000 0.829 923 D CB 0.876 41.693 40.800 0.028 0.000 1.478 923 D HN -0.035 nan 8.370 nan 0.000 0.570 924 P HA -0.135 nan 4.420 nan 0.000 0.216 924 P C 1.353 178.692 177.300 0.066 0.000 1.150 924 P CA 1.301 64.445 63.100 0.073 0.000 0.837 924 P CB 0.264 31.997 31.700 0.053 0.000 0.786 925 A N -0.556 122.306 122.820 0.070 0.000 1.883 925 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 925 A C 2.184 179.811 177.584 0.072 0.000 1.186 925 A CA 1.692 53.763 52.037 0.056 0.000 0.624 925 A CB -1.851 17.183 19.000 0.057 0.000 0.822 925 A HN 0.182 nan 8.150 nan 0.000 0.444 926 F N 0.896 120.836 119.950 -0.015 0.000 2.102 926 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 926 F C 2.512 178.293 175.800 -0.031 0.000 1.105 926 F CA 1.267 59.255 58.000 -0.021 0.000 1.239 926 F CB -0.488 38.501 39.000 -0.019 0.000 0.991 926 F HN 0.254 nan 8.300 nan 0.000 0.474 927 A N 0.883 123.808 122.820 0.176 0.000 1.858 927 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 927 A C 2.300 179.819 177.584 -0.108 0.000 1.190 927 A CA 2.123 54.191 52.037 0.051 0.000 0.617 927 A CB -1.269 17.782 19.000 0.086 0.000 0.827 927 A HN 0.500 nan 8.150 nan 0.000 0.443 928 I N -0.238 120.285 120.570 -0.078 0.000 2.142 928 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 928 I C 2.989 179.030 176.117 -0.128 0.000 1.078 928 I CA 1.087 62.331 61.300 -0.094 0.000 1.343 928 I CB -0.420 37.548 38.000 -0.054 0.000 1.046 928 I HN 0.348 nan 8.210 nan 0.000 0.405 929 A N 0.585 123.318 122.820 -0.145 0.000 1.986 929 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 929 A C 1.925 179.370 177.584 -0.231 0.000 1.171 929 A CA 2.043 53.978 52.037 -0.171 0.000 0.640 929 A CB -0.612 18.284 19.000 -0.175 0.000 0.811 929 A HN 0.514 nan 8.150 nan 0.000 0.451 930 N N -0.726 117.773 118.700 -0.335 0.000 2.236 930 N HA 0.064 4.804 4.740 -0.000 0.000 0.196 930 N C -0.223 175.156 175.510 -0.219 0.000 1.114 930 N CA 0.733 53.574 53.050 -0.348 0.000 0.859 930 N CB 0.408 38.514 38.487 -0.636 0.000 0.982 930 N HN 0.276 nan 8.380 nan 0.000 0.493 931 S N 0.381 115.974 115.700 -0.179 0.000 3.614 931 S HA -0.156 4.314 4.470 -0.000 0.000 0.360 931 S C 0.095 174.601 174.600 -0.156 0.000 1.023 931 S CA 0.910 59.023 58.200 -0.145 0.000 1.114 931 S CB -1.480 61.658 63.200 -0.103 0.000 0.907 931 S HN 0.456 nan 8.310 nan 0.000 0.470 932 T N -0.841 113.612 114.554 -0.168 0.000 2.886 932 T HA 0.699 5.049 4.350 -0.000 0.000 0.292 932 T C 0.705 175.296 174.700 -0.181 0.000 1.012 932 T CA 0.063 62.077 62.100 -0.143 0.000 0.982 932 T CB 1.591 70.431 68.868 -0.048 0.000 1.018 932 T HN 0.370 nan 8.240 nan 0.000 0.451 933 A N 3.000 125.653 122.820 -0.279 0.000 2.195 933 A HA 0.544 4.864 4.320 -0.000 0.000 0.210 933 A C 0.941 178.553 177.584 0.047 0.000 1.165 933 A CA 0.083 51.935 52.037 -0.309 0.000 0.806 933 A CB 0.077 18.553 19.000 -0.873 0.000 0.847 933 A HN 0.676 nan 8.150 nan 0.000 0.482 934 S N -1.602 114.120 115.700 0.035 0.000 2.536 934 S HA 0.378 4.848 4.470 -0.000 0.000 0.271 934 S C 0.740 175.368 174.600 0.046 0.000 1.134 934 S CA 0.243 58.479 58.200 0.061 0.000 0.897 934 S CB 1.287 64.530 63.200 0.072 0.000 1.094 934 S HN 0.455 nan 8.310 nan 0.000 0.473 935 T N 1.967 116.521 114.554 -0.001 0.000 3.160 935 T HA 0.266 4.616 4.350 -0.000 0.000 0.257 935 T C 0.470 175.148 174.700 -0.037 0.000 1.147 935 T CA 0.410 62.493 62.100 -0.028 0.000 1.064 935 T CB -0.607 68.178 68.868 -0.138 0.000 0.949 935 T HN 0.414 nan 8.240 nan 0.000 0.526 936 L N 2.630 123.846 121.223 -0.011 0.000 2.296 936 L HA 0.481 4.821 4.340 -0.000 0.000 0.286 936 L C 0.550 177.438 176.870 0.029 0.000 1.023 936 L CA -0.968 53.882 54.840 0.017 0.000 0.812 936 L CB 1.706 43.818 42.059 0.088 0.000 1.223 936 L HN 0.213 nan 8.230 nan 0.000 0.421 937 S N 0.681 116.388 115.700 0.011 0.000 2.614 937 S HA 0.080 4.550 4.470 -0.000 0.000 0.265 937 S C 1.243 175.867 174.600 0.040 0.000 1.303 937 S CA -0.107 58.106 58.200 0.021 0.000 1.000 937 S CB 1.637 64.841 63.200 0.008 0.000 0.935 937 S HN 0.662 nan 8.310 nan 0.000 0.551 938 S N 0.525 116.258 115.700 0.055 0.000 2.380 938 S HA -0.268 4.202 4.470 -0.000 0.000 0.229 938 S C 1.957 176.600 174.600 0.071 0.000 1.043 938 S CA 2.054 60.301 58.200 0.078 0.000 1.038 938 S CB -0.762 62.496 63.200 0.097 0.000 0.872 938 S HN 0.808 nan 8.310 nan 0.000 0.456 939 Q N 0.671 120.508 119.800 0.062 0.000 2.050 939 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 939 Q C 2.298 178.339 176.000 0.068 0.000 0.980 939 Q CA 2.005 57.853 55.803 0.074 0.000 0.840 939 Q CB -0.361 28.428 28.738 0.085 0.000 0.898 939 Q HN 0.701 nan 8.270 nan 0.000 0.424 940 Q N -0.573 119.219 119.800 -0.014 0.000 2.124 940 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 940 Q C 2.093 177.958 176.000 -0.224 0.000 0.977 940 Q CA 1.301 56.999 55.803 -0.175 0.000 0.850 940 Q CB -0.072 28.537 28.738 -0.215 0.000 0.901 940 Q HN 0.391 nan 8.270 nan 0.000 0.429 941 L N 0.075 121.300 121.223 0.004 0.000 2.027 941 L HA -0.181 4.159 4.340 -0.000 0.000 0.206 941 L C 2.199 179.154 176.870 0.141 0.000 1.074 941 L CA 0.937 55.873 54.840 0.160 0.000 0.745 941 L CB -0.348 41.805 42.059 0.156 0.000 0.898 941 L HN 0.256 nan 8.230 nan 0.000 0.433 942 L N -1.369 119.888 121.223 0.056 0.000 2.201 942 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 942 L C 2.633 179.490 176.870 -0.022 0.000 1.105 942 L CA 0.610 55.453 54.840 0.005 0.000 0.775 942 L CB -0.704 41.307 42.059 -0.079 0.000 0.913 942 L HN 0.366 nan 8.230 nan 0.000 0.440 943 H N -0.462 118.586 119.070 -0.036 0.000 2.395 943 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 943 H C 2.298 177.643 175.328 0.029 0.000 1.070 943 H CA 1.468 57.483 56.048 -0.056 0.000 1.356 943 H CB -0.109 29.559 29.762 -0.156 0.000 1.401 943 H HN 0.297 nan 8.280 nan 0.000 0.524 944 F N 0.680 120.743 119.950 0.189 0.000 2.095 944 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 944 F C 2.870 178.755 175.800 0.141 0.000 1.104 944 F CA 0.647 58.732 58.000 0.143 0.000 1.232 944 F CB -0.115 38.961 39.000 0.127 0.000 0.987 944 F HN 0.156 nan 8.300 nan 0.000 0.475 945 A N 0.006 123.023 122.820 0.329 0.000 1.933 945 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 945 A C 2.300 180.071 177.584 0.312 0.000 1.175 945 A CA 1.628 53.838 52.037 0.288 0.000 0.628 945 A CB -1.114 18.013 19.000 0.212 0.000 0.814 945 A HN 0.342 nan 8.150 nan 0.000 0.444 946 A N -0.037 122.898 122.820 0.192 0.000 1.898 946 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 946 A C 1.763 179.445 177.584 0.163 0.000 1.181 946 A CA 1.780 53.894 52.037 0.129 0.000 0.620 946 A CB -0.571 18.438 19.000 0.014 0.000 0.819 946 A HN 0.423 nan 8.150 nan 0.000 0.442 947 D N -0.123 120.400 120.400 0.205 0.000 2.133 947 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 947 D C 2.025 178.426 176.300 0.169 0.000 0.997 947 D CA 1.623 55.740 54.000 0.194 0.000 0.840 947 D CB -0.365 40.572 40.800 0.228 0.000 0.947 947 D HN 0.233 nan 8.370 nan 0.000 0.452 948 V N 0.987 121.031 119.914 0.216 0.000 2.453 948 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 948 V C 2.470 178.640 176.094 0.127 0.000 1.048 948 V CA 1.540 63.960 62.300 0.200 0.000 1.049 948 V CB -0.783 31.221 31.823 0.302 0.000 0.672 948 V HN 0.174 nan 8.190 nan 0.000 0.457 949 A N 0.211 123.130 122.820 0.164 0.000 1.902 949 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 949 A C 2.421 179.988 177.584 -0.028 0.000 1.181 949 A CA 2.126 54.151 52.037 -0.021 0.000 0.623 949 A CB -0.558 18.424 19.000 -0.031 0.000 0.818 949 A HN 0.474 nan 8.150 nan 0.000 0.443 950 R N -0.753 119.765 120.500 0.031 0.000 2.081 950 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 950 R C 2.268 178.527 176.300 -0.068 0.000 1.131 950 R CA 1.470 57.588 56.100 0.030 0.000 0.960 950 R CB -0.602 29.770 30.300 0.120 0.000 0.856 950 R HN 0.475 nan 8.270 nan 0.000 0.436 951 G N 0.377 109.140 108.800 -0.063 0.000 2.402 951 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 951 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 951 G C 1.328 176.128 174.900 -0.167 0.000 1.162 951 G CA 0.383 45.405 45.100 -0.131 0.000 0.777 951 G HN 0.152 nan 8.290 nan 0.000 0.539 952 M N 0.751 120.165 119.600 -0.311 0.000 2.254 952 M HA 0.040 4.520 4.480 -0.000 0.000 0.265 952 M C 1.960 177.998 176.300 -0.437 0.000 1.066 952 M CA 1.017 55.950 55.300 -0.612 0.000 1.123 952 M CB -0.772 30.881 32.600 -1.578 0.000 1.388 952 M HN 0.301 nan 8.290 nan 0.000 0.425 953 D N -0.441 119.832 120.400 -0.211 0.000 2.097 953 D HA -0.243 4.397 4.640 -0.000 0.000 0.195 953 D C 2.001 178.291 176.300 -0.017 0.000 0.989 953 D CA 1.299 55.300 54.000 0.000 0.000 0.827 953 D CB -0.190 40.641 40.800 0.051 0.000 0.966 953 D HN 0.350 nan 8.370 nan 0.000 0.456 954 Y N 0.780 120.952 120.300 -0.214 0.000 2.097 954 Y HA -0.180 4.370 4.550 -0.000 0.000 0.282 954 Y C 1.942 177.744 175.900 -0.163 0.000 1.152 954 Y CA 1.722 59.675 58.100 -0.245 0.000 1.136 954 Y CB -0.371 37.777 38.460 -0.520 0.000 0.975 954 Y HN 0.048 nan 8.280 nan 0.000 0.498 955 L N -0.253 120.870 121.223 -0.166 0.000 2.027 955 L HA -0.196 4.144 4.340 -0.000 0.000 0.206 955 L C 2.733 179.591 176.870 -0.020 0.000 1.074 955 L CA 1.587 56.320 54.840 -0.179 0.000 0.745 955 L CB -0.962 41.040 42.059 -0.095 0.000 0.898 955 L HN 0.373 nan 8.230 nan 0.000 0.433 956 S N -1.187 114.534 115.700 0.035 0.000 2.442 956 S HA -0.170 4.299 4.470 -0.000 0.000 0.236 956 S C 1.828 176.457 174.600 0.049 0.000 1.007 956 S CA 0.621 58.889 58.200 0.112 0.000 0.965 956 S CB -0.266 63.067 63.200 0.222 0.000 0.773 956 S HN 0.387 nan 8.310 nan 0.000 0.504 957 Q N 1.212 120.998 119.800 -0.024 0.000 2.436 957 Q HA 0.141 4.481 4.340 -0.000 0.000 0.209 957 Q C 0.971 176.925 176.000 -0.077 0.000 0.965 957 Q CA 0.793 56.569 55.803 -0.045 0.000 0.910 957 Q CB -0.190 28.512 28.738 -0.061 0.000 0.980 957 Q HN 0.719 nan 8.270 nan 0.000 0.491 958 K N 0.661 121.000 120.400 -0.103 0.000 2.437 958 K HA 0.064 4.384 4.320 -0.000 0.000 0.205 958 K C -0.153 176.450 176.600 0.004 0.000 1.026 958 K CA -0.155 56.082 56.287 -0.083 0.000 1.153 958 K CB 0.667 33.070 32.500 -0.161 0.000 0.863 958 K HN -0.109 nan 8.250 nan 0.000 0.502 959 Q N -0.827 118.992 119.800 0.032 0.000 2.468 959 Q HA -0.241 4.098 4.340 -0.000 0.000 0.256 959 Q C -0.322 175.728 176.000 0.083 0.000 0.984 959 Q CA 0.941 56.775 55.803 0.052 0.000 1.110 959 Q CB -2.864 25.890 28.738 0.027 0.000 1.527 959 Q HN 0.457 nan 8.270 nan 0.000 0.535 960 F N 0.950 120.877 119.950 -0.037 0.000 2.456 960 F HA 0.438 4.965 4.527 -0.000 0.000 0.358 960 F C 0.418 176.231 175.800 0.022 0.000 1.095 960 F CA -0.532 57.450 58.000 -0.029 0.000 1.216 960 F CB 0.554 39.517 39.000 -0.061 0.000 1.125 960 F HN 0.046 nan 8.300 nan 0.000 0.549 961 I N 7.040 127.183 120.570 -0.712 0.000 2.389 961 I HA 0.130 4.300 4.170 -0.000 0.000 0.288 961 I C 0.866 176.474 176.117 -0.848 0.000 0.999 961 I CA -0.580 60.446 61.300 -0.456 0.000 1.129 961 I CB 1.506 39.383 38.000 -0.205 0.000 1.288 961 I HN 0.717 nan 8.210 nan 0.000 0.444 962 H N 6.869 125.698 119.070 -0.402 0.000 2.284 962 H HA 0.057 4.613 4.556 -0.000 0.000 0.304 962 H C 1.026 176.264 175.328 -0.149 0.000 1.069 962 H CA 1.969 57.910 56.048 -0.178 0.000 1.327 962 H CB 0.474 30.336 29.762 0.167 0.000 1.387 962 H HN 0.644 nan 8.280 nan 0.000 0.498 963 R N -0.963 119.635 120.500 0.163 0.000 3.426 963 R HA -0.160 4.180 4.340 -0.000 0.000 0.478 963 R C -0.438 176.004 176.300 0.237 0.000 0.673 963 R CA 1.222 57.387 56.100 0.109 0.000 1.455 963 R CB -1.455 28.677 30.300 -0.280 0.000 2.122 963 R HN 0.361 nan 8.270 nan 0.000 0.418 964 D N 0.452 121.129 120.400 0.461 0.000 3.007 964 D HA 0.243 4.883 4.640 -0.000 0.000 0.363 964 D C -0.606 175.793 176.300 0.165 0.000 1.474 964 D CA -0.178 53.995 54.000 0.287 0.000 0.767 964 D CB 0.325 41.220 40.800 0.159 0.000 1.227 964 D HN 0.096 nan 8.370 nan 0.000 0.471 965 L N 1.346 122.609 121.223 0.067 0.000 2.462 965 L HA 0.554 4.894 4.340 -0.000 0.000 0.272 965 L C 0.361 177.229 176.870 -0.002 0.000 1.166 965 L CA 0.182 54.958 54.840 -0.107 0.000 0.880 965 L CB 0.722 42.814 42.059 0.055 0.000 1.142 965 L HN 0.266 nan 8.230 nan 0.000 0.473 966 A N 2.535 125.295 122.820 -0.101 0.000 2.581 966 A HA 0.576 4.896 4.320 -0.000 0.000 0.294 966 A C 0.207 177.764 177.584 -0.045 0.000 1.035 966 A CA 0.004 51.928 52.037 -0.189 0.000 0.684 966 A CB 0.527 18.974 19.000 -0.923 0.000 1.282 966 A HN 0.722 nan 8.150 nan 0.000 0.417 967 A N 1.158 124.035 122.820 0.094 0.000 1.978 967 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 967 A C 1.954 179.566 177.584 0.046 0.000 1.170 967 A CA 2.053 54.137 52.037 0.077 0.000 0.636 967 A CB -0.630 18.451 19.000 0.136 0.000 0.810 967 A HN 1.230 nan 8.150 nan 0.000 0.448 968 R N -0.764 119.747 120.500 0.018 0.000 2.159 968 R HA -0.074 4.266 4.340 -0.000 0.000 0.237 968 R C 0.542 176.951 176.300 0.183 0.000 1.131 968 R CA 1.637 57.774 56.100 0.061 0.000 0.982 968 R CB -0.485 29.811 30.300 -0.007 0.000 0.868 968 R HN 0.344 nan 8.270 nan 0.000 0.453 969 N N 0.459 119.199 118.700 0.067 0.000 2.268 969 N HA 0.149 4.889 4.740 -0.000 0.000 0.204 969 N C -0.634 174.830 175.510 -0.077 0.000 1.124 969 N CA 0.141 53.181 53.050 -0.017 0.000 0.838 969 N CB 0.565 39.004 38.487 -0.080 0.000 0.994 969 N HN 0.146 nan 8.380 nan 0.000 0.489 970 I N 1.619 122.200 120.570 0.019 0.000 2.354 970 I HA 0.316 4.486 4.170 -0.000 0.000 0.292 970 I C 0.299 176.434 176.117 0.030 0.000 0.989 970 I CA -0.666 60.627 61.300 -0.012 0.000 1.188 970 I CB 1.364 39.345 38.000 -0.032 0.000 1.342 970 I HN -0.232 nan 8.210 nan 0.000 0.457 971 L N 5.886 127.118 121.223 0.016 0.000 2.312 971 L HA 0.417 4.757 4.340 -0.000 0.000 0.281 971 L C -0.135 176.683 176.870 -0.088 0.000 1.070 971 L CA -0.858 53.983 54.840 0.001 0.000 0.805 971 L CB 1.730 43.805 42.059 0.026 0.000 1.174 971 L HN 0.234 nan 8.230 nan 0.000 0.434 972 V N 3.169 122.986 119.914 -0.161 0.000 2.353 972 V HA 0.361 4.481 4.120 -0.000 0.000 0.264 972 V C 0.827 176.847 176.094 -0.124 0.000 1.049 972 V CA -0.239 61.931 62.300 -0.216 0.000 0.896 972 V CB 0.351 31.843 31.823 -0.552 0.000 1.025 972 V HN 0.926 nan 8.190 nan 0.000 0.475 973 G N 3.494 112.250 108.800 -0.073 0.000 2.641 973 G HA2 0.368 4.328 3.960 -0.000 0.000 0.239 973 G HA3 0.368 4.328 3.960 -0.000 0.000 0.239 973 G C -0.172 174.673 174.900 -0.093 0.000 1.402 973 G CA -0.603 44.440 45.100 -0.094 0.000 1.046 973 G HN 0.529 nan 8.290 nan 0.000 0.565 974 E N 1.281 121.420 120.200 -0.101 0.000 2.465 974 E HA -0.009 4.341 4.350 -0.000 0.000 0.260 974 E C -0.063 176.483 176.600 -0.091 0.000 0.980 974 E CA 0.320 56.658 56.400 -0.103 0.000 0.927 974 E CB 0.391 30.050 29.700 -0.069 0.000 0.934 974 E HN 0.482 nan 8.360 nan 0.000 0.459 975 N N 2.565 121.189 118.700 -0.127 0.000 2.850 975 N HA -0.261 4.479 4.740 -0.000 0.000 0.249 975 N C -0.485 175.056 175.510 0.051 0.000 1.060 975 N CA 0.996 54.024 53.050 -0.037 0.000 0.825 975 N CB -1.897 36.589 38.487 -0.002 0.000 1.132 975 N HN 0.684 nan 8.380 nan 0.000 0.564 976 Y N -3.023 117.293 120.300 0.026 0.000 3.929 976 Y HA -0.237 4.313 4.550 -0.000 0.000 0.225 976 Y C 0.241 176.191 175.900 0.083 0.000 1.200 976 Y CA 0.493 58.598 58.100 0.009 0.000 1.791 976 Y CB -2.046 36.373 38.460 -0.068 0.000 1.561 976 Y HN 0.067 nan 8.280 nan 0.000 0.657 977 V N 0.832 120.819 119.914 0.122 0.000 2.432 977 V HA 0.604 4.723 4.120 -0.000 0.000 0.271 977 V C 0.804 176.978 176.094 0.133 0.000 1.046 977 V CA -0.335 62.033 62.300 0.112 0.000 0.945 977 V CB 1.282 33.123 31.823 0.031 0.000 0.992 977 V HN 0.412 nan 8.190 nan 0.000 0.471 978 A N 5.812 128.759 122.820 0.211 0.000 2.388 978 A HA 0.631 4.951 4.320 -0.000 0.000 0.257 978 A C 0.033 177.662 177.584 0.074 0.000 1.095 978 A CA -0.332 51.791 52.037 0.144 0.000 0.791 978 A CB 0.275 19.406 19.000 0.219 0.000 1.029 978 A HN 0.836 nan 8.150 nan 0.000 0.489 979 K N 2.090 122.503 120.400 0.021 0.000 2.507 979 K HA 0.458 4.778 4.320 -0.000 0.000 0.252 979 K C -1.041 175.544 176.600 -0.025 0.000 0.943 979 K CA -0.145 56.142 56.287 -0.000 0.000 0.808 979 K CB 1.828 34.317 32.500 -0.018 0.000 1.142 979 K HN 0.682 nan 8.250 nan 0.000 0.426 980 I N 2.967 123.521 120.570 -0.027 0.000 2.683 980 I HA 0.123 4.293 4.170 -0.000 0.000 0.286 980 I C 0.454 176.526 176.117 -0.075 0.000 1.175 980 I CA 0.467 61.740 61.300 -0.045 0.000 1.429 980 I CB 0.646 38.630 38.000 -0.026 0.000 1.371 980 I HN 0.692 nan 8.210 nan 0.000 0.569 981 A N 5.007 127.752 122.820 -0.124 0.000 2.524 981 A HA 0.759 5.078 4.320 -0.000 0.000 0.289 981 A C -1.449 175.987 177.584 -0.246 0.000 1.248 981 A CA -0.418 51.447 52.037 -0.287 0.000 0.712 981 A CB 1.875 20.525 19.000 -0.584 0.000 1.312 981 A HN 0.592 nan 8.150 nan 0.000 0.441 982 D N -0.901 119.205 120.400 -0.490 0.000 2.452 982 D HA 0.390 5.030 4.640 -0.000 0.000 0.226 982 D C -1.033 175.044 176.300 -0.372 0.000 1.366 982 D CA -0.250 53.546 54.000 -0.341 0.000 0.986 982 D CB 0.419 41.072 40.800 -0.244 0.000 1.420 982 D HN 0.264 nan 8.370 nan 0.000 0.583 983 F N 1.872 121.828 119.950 0.009 0.000 2.776 983 F HA 0.405 4.932 4.527 -0.000 0.000 0.300 983 F C 1.731 177.525 175.800 -0.010 0.000 1.116 983 F CA 0.545 58.541 58.000 -0.006 0.000 1.375 983 F CB 0.612 39.607 39.000 -0.007 0.000 1.109 983 F HN 0.559 nan 8.300 nan 0.000 0.585 984 G N 0.483 109.341 108.800 0.097 0.000 2.612 984 G HA2 0.158 4.118 3.960 -0.000 0.000 0.686 984 G HA3 0.158 4.118 3.960 -0.000 0.000 0.686 984 G C -0.914 174.017 174.900 0.053 0.000 1.274 984 G CA -0.876 44.256 45.100 0.054 0.000 0.849 984 G HN 0.416 nan 8.290 nan 0.000 0.595 998 G N 2.021 110.839 108.800 0.031 0.000 2.305 998 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.287 998 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.287 998 G C 0.092 175.016 174.900 0.041 0.000 1.036 998 G CA 0.697 45.816 45.100 0.032 0.000 0.887 998 G HN 1.293 nan 8.290 nan 0.000 0.505 999 R N -0.508 120.020 120.500 0.047 0.000 2.585 999 R HA 0.262 4.602 4.340 -0.000 0.000 0.275 999 R C 0.980 177.326 176.300 0.076 0.000 1.018 999 R CA -0.357 55.779 56.100 0.061 0.000 1.072 999 R CB 0.093 30.432 30.300 0.065 0.000 0.953 999 R HN 0.344 nan 8.270 nan 0.000 0.419 1000 L N 7.132 128.411 121.223 0.092 0.000 2.455 1000 L HA 0.125 4.465 4.340 -0.000 0.000 0.272 1000 L C -1.391 175.561 176.870 0.137 0.000 1.174 1000 L CA -1.467 53.442 54.840 0.114 0.000 0.869 1000 L CB 0.672 42.808 42.059 0.129 0.000 1.130 1000 L HN 0.517 nan 8.230 nan 0.000 0.474 1001 P HA 0.041 nan 4.420 nan 0.000 0.226 1001 P C 1.153 178.644 177.300 0.317 0.000 1.783 1001 P CA -0.111 63.125 63.100 0.228 0.000 0.980 1001 P CB 0.310 32.098 31.700 0.148 0.000 1.967 1002 V N 2.179 122.215 119.914 0.203 0.000 2.278 1002 V HA -0.304 3.816 4.120 -0.000 0.000 0.251 1002 V C 2.562 178.683 176.094 0.046 0.000 1.062 1002 V CA 2.042 64.374 62.300 0.054 0.000 1.038 1002 V CB -0.899 30.918 31.823 -0.010 0.000 0.646 1002 V HN 0.377 nan 8.190 nan 0.000 0.447 1003 R N -1.438 119.158 120.500 0.161 0.000 2.241 1003 R HA -0.144 4.196 4.340 -0.000 0.000 0.224 1003 R C 1.968 178.225 176.300 -0.071 0.000 1.101 1003 R CA 1.449 57.544 56.100 -0.008 0.000 0.995 1003 R CB -0.183 30.009 30.300 -0.180 0.000 0.870 1003 R HN 0.599 nan 8.270 nan 0.000 0.463 1004 W N -0.081 121.313 121.300 0.157 0.000 3.211 1004 W HA 0.246 4.906 4.660 -0.000 0.000 0.292 1004 W C 0.237 176.890 176.519 0.223 0.000 1.268 1004 W CA -0.437 57.047 57.345 0.232 0.000 1.702 1004 W CB 0.230 29.814 29.460 0.207 0.000 1.092 1004 W HN 0.022 nan 8.180 nan 0.000 0.643 1005 M N 0.680 120.394 119.600 0.190 0.000 2.216 1005 M HA 0.346 4.826 4.480 -0.000 0.000 0.356 1005 M C 0.630 176.518 176.300 -0.687 0.000 1.205 1005 M CA -0.220 55.020 55.300 -0.100 0.000 1.122 1005 M CB 1.197 33.734 32.600 -0.105 0.000 1.571 1005 M HN -0.268 nan 8.290 nan 0.000 0.464 1006 A N 3.333 125.598 122.820 -0.926 0.000 2.466 1006 A HA 0.207 4.527 4.320 -0.000 0.000 0.238 1006 A C 1.062 178.050 177.584 -0.992 0.000 1.074 1006 A CA -0.249 50.857 52.037 -1.552 0.000 0.774 1006 A CB -0.050 18.533 19.000 -0.696 0.000 1.015 1006 A HN 0.998 nan 8.150 nan 0.000 0.498 1007 I N 0.857 120.813 120.570 -1.024 0.000 2.194 1007 I HA -0.275 3.895 4.170 -0.000 0.000 0.246 1007 I C 2.496 178.434 176.117 -0.299 0.000 1.093 1007 I CA 1.909 62.900 61.300 -0.515 0.000 1.355 1007 I CB -0.454 37.364 38.000 -0.305 0.000 1.046 1007 I HN 0.897 nan 8.210 nan 0.000 0.413 1008 E N 1.146 121.204 120.200 -0.236 0.000 2.268 1008 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 1008 E C 1.902 178.416 176.600 -0.143 0.000 0.995 1008 E CA 1.432 57.797 56.400 -0.060 0.000 0.836 1008 E CB -0.329 29.352 29.700 -0.031 0.000 0.763 1008 E HN 0.446 nan 8.360 nan 0.000 0.491 1009 S N 1.013 116.512 115.700 -0.336 0.000 2.395 1009 S HA 0.084 4.554 4.470 -0.000 0.000 0.225 1009 S C 2.105 176.518 174.600 -0.312 0.000 1.027 1009 S CA 0.514 58.413 58.200 -0.502 0.000 0.965 1009 S CB -0.155 62.641 63.200 -0.674 0.000 0.812 1009 S HN 0.188 nan 8.310 nan 0.000 0.482 1010 L N 1.564 122.623 121.223 -0.274 0.000 2.093 1010 L HA -0.069 4.270 4.340 -0.000 0.000 0.208 1010 L C 1.957 178.775 176.870 -0.088 0.000 1.085 1010 L CA 0.877 55.613 54.840 -0.172 0.000 0.755 1010 L CB -0.426 41.426 42.059 -0.346 0.000 0.904 1010 L HN 0.250 nan 8.230 nan 0.000 0.435 1011 N N -1.464 117.118 118.700 -0.196 0.000 2.402 1011 N HA -0.034 4.706 4.740 -0.000 0.000 0.174 1011 N C 0.931 176.026 175.510 -0.693 0.000 1.027 1011 N CA 1.005 53.803 53.050 -0.421 0.000 0.891 1011 N CB 0.255 38.449 38.487 -0.488 0.000 1.016 1011 N HN 0.329 nan 8.380 nan 0.000 0.439 1012 Y N -0.447 119.810 120.300 -0.071 0.000 2.563 1012 Y HA 0.293 4.843 4.550 -0.000 0.000 0.250 1012 Y C 0.476 176.343 175.900 -0.056 0.000 1.126 1012 Y CA -0.334 57.734 58.100 -0.053 0.000 1.231 1012 Y CB 0.458 38.888 38.460 -0.050 0.000 1.288 1012 Y HN -0.243 nan 8.280 nan 0.000 0.537 1013 S N 0.440 116.132 115.700 -0.014 0.000 3.581 1013 S HA -0.149 4.321 4.470 -0.000 0.000 0.354 1013 S C 0.022 174.591 174.600 -0.051 0.000 1.059 1013 S CA 0.437 58.621 58.200 -0.026 0.000 1.060 1013 S CB -1.747 61.551 63.200 0.163 0.000 0.908 1013 S HN 0.159 nan 8.310 nan 0.000 0.475 1014 V N 2.017 121.847 119.914 -0.140 0.000 2.427 1014 V HA 0.293 4.413 4.120 -0.000 0.000 0.268 1014 V C -0.095 175.838 176.094 -0.268 0.000 1.046 1014 V CA 0.215 62.458 62.300 -0.094 0.000 0.970 1014 V CB 0.074 31.876 31.823 -0.034 0.000 1.001 1014 V HN 0.429 nan 8.190 nan 0.000 0.476 1015 Y N 3.397 123.712 120.300 0.024 0.000 2.326 1015 Y HA 0.606 5.156 4.550 -0.000 0.000 0.331 1015 Y C 0.577 176.490 175.900 0.022 0.000 0.962 1015 Y CA -0.611 57.502 58.100 0.021 0.000 1.167 1015 Y CB 2.116 40.577 38.460 0.002 0.000 1.148 1015 Y HN 0.742 nan 8.280 nan 0.000 0.463 1016 T N -2.782 111.872 114.554 0.166 0.000 2.804 1016 T HA 0.266 4.616 4.350 -0.000 0.000 0.290 1016 T C 0.815 175.609 174.700 0.158 0.000 1.099 1016 T CA -0.669 61.507 62.100 0.127 0.000 1.011 1016 T CB 1.435 70.359 68.868 0.093 0.000 1.291 1016 T HN 0.351 nan 8.240 nan 0.000 0.523 1017 T N 1.021 115.665 114.554 0.150 0.000 2.759 1017 T HA -0.107 4.242 4.350 -0.000 0.000 0.269 1017 T C 1.782 176.576 174.700 0.157 0.000 1.042 1017 T CA 2.027 64.254 62.100 0.212 0.000 1.140 1017 T CB -0.715 68.270 68.868 0.194 0.000 0.864 1017 T HN 0.693 nan 8.240 nan 0.000 0.455 1018 N N 0.927 119.688 118.700 0.102 0.000 2.166 1018 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 1018 N C 2.183 177.784 175.510 0.150 0.000 1.019 1018 N CA 1.373 54.469 53.050 0.076 0.000 0.856 1018 N CB -0.096 38.438 38.487 0.077 0.000 0.993 1018 N HN 0.444 nan 8.380 nan 0.000 0.426 1019 S N 0.504 116.303 115.700 0.166 0.000 2.406 1019 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 1019 S C 1.383 176.175 174.600 0.321 0.000 1.020 1019 S CA 0.866 59.185 58.200 0.198 0.000 0.965 1019 S CB -0.093 63.144 63.200 0.063 0.000 0.798 1019 S HN 0.102 nan 8.310 nan 0.000 0.488 1020 D N 1.672 122.272 120.400 0.334 0.000 2.149 1020 D HA -0.057 4.583 4.640 -0.000 0.000 0.198 1020 D C 2.005 178.615 176.300 0.517 0.000 0.990 1020 D CA 0.959 55.235 54.000 0.461 0.000 0.839 1020 D CB -0.495 40.629 40.800 0.541 0.000 0.948 1020 D HN 0.324 nan 8.370 nan 0.000 0.460 1021 V N 0.590 120.642 119.914 0.230 0.000 2.358 1021 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 1021 V C 2.123 178.379 176.094 0.270 0.000 1.047 1021 V CA 1.143 63.427 62.300 -0.026 0.000 1.035 1021 V CB -0.400 31.197 31.823 -0.378 0.000 0.658 1021 V HN 0.385 nan 8.190 nan 0.000 0.452 1022 W N 1.374 122.785 121.300 0.185 0.000 2.311 1022 W HA -0.269 4.391 4.660 0.000 0.000 0.326 1022 W C 2.610 179.402 176.519 0.455 0.000 1.239 1022 W CA 2.541 60.093 57.345 0.344 0.000 1.258 1022 W CB -0.894 28.729 29.460 0.270 0.000 1.165 1022 W HN 0.330 nan 8.180 nan 0.000 0.466 1023 S N -0.141 116.046 115.700 0.810 0.000 2.387 1023 S HA -0.306 4.164 4.470 -0.000 0.000 0.230 1023 S C 1.517 176.470 174.600 0.588 0.000 1.035 1023 S CA 1.871 60.497 58.200 0.710 0.000 1.014 1023 S CB -1.234 62.315 63.200 0.581 0.000 0.836 1023 S HN 0.468 nan 8.310 nan 0.000 0.466 1024 Y N 2.375 122.936 120.300 0.434 0.000 2.128 1024 Y HA -0.127 4.423 4.550 -0.000 0.000 0.284 1024 Y C 2.429 178.487 175.900 0.264 0.000 1.154 1024 Y CA 1.417 59.732 58.100 0.359 0.000 1.149 1024 Y CB -0.967 37.760 38.460 0.446 0.000 0.976 1024 Y HN 0.223 nan 8.280 nan 0.000 0.505 1025 G N -0.447 108.514 108.800 0.268 0.000 2.442 1025 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 1025 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 1025 G C 1.626 176.710 174.900 0.308 0.000 1.141 1025 G CA 1.496 46.578 45.100 -0.030 0.000 0.763 1025 G HN 0.388 nan 8.290 nan 0.000 0.554 1026 V N 0.777 121.023 119.914 0.554 0.000 2.358 1026 V HA -0.095 4.025 4.120 -0.000 0.000 0.246 1026 V C 2.659 178.952 176.094 0.332 0.000 1.047 1026 V CA 1.466 63.990 62.300 0.372 0.000 1.035 1026 V CB -0.503 31.314 31.823 -0.010 0.000 0.658 1026 V HN 0.398 nan 8.190 nan 0.000 0.452 1027 L N -0.434 120.976 121.223 0.311 0.000 2.013 1027 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 1027 L C 2.436 179.333 176.870 0.046 0.000 1.073 1027 L CA 1.811 56.772 54.840 0.202 0.000 0.753 1027 L CB -0.288 41.797 42.059 0.042 0.000 0.890 1027 L HN 0.335 nan 8.230 nan 0.000 0.432 1028 L N -0.719 120.415 121.223 -0.148 0.000 2.042 1028 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 1028 L C 2.109 179.040 176.870 0.101 0.000 1.076 1028 L CA 2.114 56.894 54.840 -0.099 0.000 0.749 1028 L CB -1.002 40.960 42.059 -0.162 0.000 0.893 1028 L HN 0.492 nan 8.230 nan 0.000 0.432 1029 W N 0.668 121.994 121.300 0.044 0.000 2.363 1029 W HA -0.201 4.459 4.660 -0.000 0.000 0.296 1029 W C 2.387 178.947 176.519 0.068 0.000 1.212 1029 W CA 2.003 59.403 57.345 0.092 0.000 1.260 1029 W CB 0.049 29.602 29.460 0.154 0.000 1.131 1029 W HN 0.248 nan 8.180 nan 0.000 0.530 1030 E N 0.031 120.448 120.200 0.361 0.000 2.077 1030 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 1030 E C 2.094 178.737 176.600 0.072 0.000 0.989 1030 E CA 1.789 58.342 56.400 0.255 0.000 0.800 1030 E CB -0.474 29.435 29.700 0.349 0.000 0.746 1030 E HN 0.351 nan 8.360 nan 0.000 0.452 1031 I N 0.620 121.237 120.570 0.078 0.000 2.099 1031 I HA -0.287 3.883 4.170 -0.000 0.000 0.239 1031 I C 2.382 178.514 176.117 0.025 0.000 1.066 1031 I CA 1.006 62.351 61.300 0.076 0.000 1.324 1031 I CB -0.274 37.791 38.000 0.108 0.000 1.037 1031 I HN -0.001 nan 8.210 nan 0.000 0.401 1032 V N 0.698 120.587 119.914 -0.043 0.000 2.490 1032 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 1032 V C 2.301 178.289 176.094 -0.175 0.000 1.061 1032 V CA 2.153 64.400 62.300 -0.087 0.000 1.064 1032 V CB -0.612 31.150 31.823 -0.102 0.000 0.670 1032 V HN 0.614 nan 8.190 nan 0.000 0.461 1033 S N -0.633 114.855 115.700 -0.354 0.000 2.593 1033 S HA 0.178 4.648 4.470 -0.000 0.000 0.217 1033 S C 0.838 175.358 174.600 -0.133 0.000 0.966 1033 S CA -0.143 57.820 58.200 -0.395 0.000 0.914 1033 S CB -0.421 62.199 63.200 -0.967 0.000 0.776 1033 S HN 0.450 nan 8.310 nan 0.000 0.523 1034 L N 0.343 121.537 121.223 -0.048 0.000 3.608 1034 L HA -0.184 4.156 4.340 -0.000 0.000 0.422 1034 L C 0.999 177.868 176.870 -0.003 0.000 1.260 1034 L CA 0.145 54.990 54.840 0.010 0.000 0.889 1034 L CB -2.470 39.616 42.059 0.045 0.000 1.821 1034 L HN 0.659 nan 8.230 nan 0.000 0.884 1035 G N -1.360 107.458 108.800 0.031 0.000 2.142 1035 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.225 1035 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.225 1035 G C 0.526 175.497 174.900 0.118 0.000 1.015 1035 G CA 0.064 45.218 45.100 0.089 0.000 0.716 1035 G HN 1.135 nan 8.290 nan 0.000 0.508 1036 G N -0.418 108.444 108.800 0.103 0.000 2.544 1036 G HA2 0.509 4.469 3.960 -0.000 0.000 0.242 1036 G HA3 0.509 4.469 3.960 -0.000 0.000 0.242 1036 G C 0.392 175.520 174.900 0.380 0.000 1.247 1036 G CA 0.599 45.816 45.100 0.194 0.000 0.840 1036 G HN 0.583 nan 8.290 nan 0.000 0.578 1037 T N 3.764 118.500 114.554 0.304 0.000 2.799 1037 T HA 0.311 4.661 4.350 -0.000 0.000 0.296 1037 T C -2.052 172.715 174.700 0.110 0.000 0.947 1037 T CA -0.374 61.864 62.100 0.229 0.000 1.141 1037 T CB 1.143 70.111 68.868 0.167 0.000 0.891 1037 T HN 0.267 nan 8.240 nan 0.000 0.533 1038 P HA 0.161 nan 4.420 nan 0.000 0.271 1038 P C -0.465 176.526 177.300 -0.513 0.000 1.216 1038 P CA -0.322 62.267 63.100 -0.852 0.000 0.776 1038 P CB -0.059 31.002 31.700 -1.065 0.000 0.881 1039 Y N -1.136 118.867 120.300 -0.495 0.000 3.589 1039 Y HA -0.259 4.291 4.550 -0.000 0.000 0.218 1039 Y C 0.940 176.775 175.900 -0.109 0.000 1.234 1039 Y CA -0.379 57.578 58.100 -0.239 0.000 1.576 1039 Y CB -2.614 35.718 38.460 -0.214 0.000 1.487 1039 Y HN 0.355 nan 8.280 nan 0.000 0.616 1040 C N 1.641 120.962 119.300 0.035 0.000 2.538 1040 C HA 0.339 4.799 4.460 -0.000 0.000 0.408 1040 C C 1.859 176.890 174.990 0.069 0.000 1.421 1040 C CA 1.698 60.761 59.018 0.075 0.000 1.642 1040 C CB -0.479 27.326 27.740 0.107 0.000 2.553 1040 C HN 1.559 nan 8.230 nan 0.000 0.604 1041 G N 4.767 113.601 108.800 0.056 0.000 2.143 1041 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.249 1041 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.249 1041 G C -0.239 174.673 174.900 0.019 0.000 0.981 1041 G CA 0.523 45.646 45.100 0.038 0.000 0.665 1041 G HN 0.820 nan 8.290 nan 0.000 0.528 1042 M N 1.822 121.435 119.600 0.021 0.000 2.395 1042 M HA 0.564 5.044 4.480 -0.000 0.000 0.307 1042 M C 0.742 177.028 176.300 -0.023 0.000 1.091 1042 M CA -0.190 55.097 55.300 -0.021 0.000 0.919 1042 M CB 1.686 34.268 32.600 -0.031 0.000 1.662 1042 M HN 0.404 nan 8.290 nan 0.000 0.440 1043 T N -0.183 114.347 114.554 -0.041 0.000 2.899 1043 T HA 0.216 4.565 4.350 -0.000 0.000 0.284 1043 T C 1.022 175.695 174.700 -0.045 0.000 1.004 1043 T CA -0.856 61.231 62.100 -0.023 0.000 1.043 1043 T CB 0.981 69.841 68.868 -0.014 0.000 1.013 1043 T HN 0.873 nan 8.240 nan 0.000 0.518 1044 C N 1.169 120.466 119.300 -0.005 0.000 2.419 1044 C HA 0.084 4.544 4.460 -0.000 0.000 0.281 1044 C C 3.191 178.239 174.990 0.098 0.000 1.336 1044 C CA 0.841 59.864 59.018 0.008 0.000 1.770 1044 C CB -1.947 25.843 27.740 0.083 0.000 1.929 1044 C HN 1.028 nan 8.230 nan 0.000 0.509 1045 A N 0.308 123.183 122.820 0.091 0.000 1.929 1045 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 1045 A C 2.030 179.640 177.584 0.044 0.000 1.176 1045 A CA 1.308 53.407 52.037 0.104 0.000 0.628 1045 A CB -0.522 18.484 19.000 0.011 0.000 0.816 1045 A HN 0.668 nan 8.150 nan 0.000 0.444 1046 E N -0.358 119.820 120.200 -0.037 0.000 2.204 1046 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 1046 E C 1.801 178.300 176.600 -0.168 0.000 0.990 1046 E CA 0.742 57.078 56.400 -0.106 0.000 0.821 1046 E CB -0.183 29.432 29.700 -0.142 0.000 0.750 1046 E HN 0.634 nan 8.360 nan 0.000 0.477 1047 L N -0.598 120.507 121.223 -0.197 0.000 2.068 1047 L HA -0.146 4.194 4.340 -0.000 0.000 0.204 1047 L C 2.029 178.752 176.870 -0.245 0.000 1.076 1047 L CA 0.896 55.541 54.840 -0.326 0.000 0.753 1047 L CB -0.359 41.407 42.059 -0.489 0.000 0.910 1047 L HN 0.187 nan 8.230 nan 0.000 0.439 1048 Y N 0.292 120.491 120.300 -0.169 0.000 2.193 1048 Y HA -0.335 4.215 4.550 -0.000 0.000 0.285 1048 Y C 2.718 178.548 175.900 -0.116 0.000 1.166 1048 Y CA 1.932 59.950 58.100 -0.137 0.000 1.181 1048 Y CB -0.118 38.271 38.460 -0.118 0.000 0.976 1048 Y HN 0.282 nan 8.280 nan 0.000 0.520 1049 E N 0.335 120.554 120.200 0.031 0.000 2.021 1049 E HA -0.156 4.194 4.350 -0.000 0.000 0.189 1049 E C 1.845 178.421 176.600 -0.040 0.000 0.980 1049 E CA 0.914 57.306 56.400 -0.012 0.000 0.803 1049 E CB 0.025 29.704 29.700 -0.035 0.000 0.766 1049 E HN 0.384 nan 8.360 nan 0.000 0.449 1050 K N 0.282 120.627 120.400 -0.091 0.000 2.167 1050 K HA -0.004 4.316 4.320 -0.000 0.000 0.203 1050 K C 2.300 178.913 176.600 0.021 0.000 1.052 1050 K CA 0.454 56.692 56.287 -0.081 0.000 0.956 1050 K CB 0.047 32.391 32.500 -0.261 0.000 0.735 1050 K HN 0.159 nan 8.250 nan 0.000 0.451 1051 L N 0.965 122.180 121.223 -0.013 0.000 1.989 1051 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 1051 L C -0.807 176.103 176.870 0.067 0.000 1.071 1051 L CA 1.456 56.323 54.840 0.044 0.000 0.749 1051 L CB -1.211 40.820 42.059 -0.047 0.000 0.890 1051 L HN 0.068 nan 8.230 nan 0.000 0.431 1052 P HA -0.168 nan 4.420 nan 0.000 0.225 1052 P C 1.092 178.423 177.300 0.052 0.000 1.148 1052 P CA 1.102 64.225 63.100 0.038 0.000 0.779 1052 P CB -0.042 31.671 31.700 0.020 0.000 0.780 1053 Q N -1.600 118.233 119.800 0.055 0.000 2.472 1053 Q HA 0.157 4.497 4.340 -0.000 0.000 0.208 1053 Q C 1.210 177.262 176.000 0.087 0.000 0.958 1053 Q CA 0.758 56.599 55.803 0.063 0.000 0.932 1053 Q CB -0.254 28.515 28.738 0.053 0.000 1.007 1053 Q HN 0.233 nan 8.270 nan 0.000 0.508 1054 G N 0.803 109.667 108.800 0.107 0.000 2.134 1054 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.209 1054 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.209 1054 G C -0.407 174.560 174.900 0.111 0.000 0.993 1054 G CA -0.273 44.888 45.100 0.102 0.000 0.669 1054 G HN 0.444 nan 8.290 nan 0.000 0.519 1055 Y N 2.572 122.885 120.300 0.023 0.000 2.442 1055 Y HA 0.603 5.153 4.550 -0.000 0.000 0.330 1055 Y C 0.681 176.591 175.900 0.016 0.000 1.129 1055 Y CA -0.149 57.961 58.100 0.017 0.000 1.365 1055 Y CB 0.474 38.927 38.460 -0.011 0.000 1.233 1055 Y HN 0.233 nan 8.280 nan 0.000 0.529 1056 R N 5.256 125.367 120.500 -0.648 0.000 2.867 1056 R HA 0.401 4.741 4.340 -0.000 0.000 0.268 1056 R C -1.190 174.701 176.300 -0.682 0.000 1.014 1056 R CA -1.384 54.419 56.100 -0.495 0.000 0.946 1056 R CB 1.277 31.459 30.300 -0.198 0.000 1.208 1056 R HN 0.791 nan 8.270 nan 0.000 0.477 1057 L N 2.140 122.983 121.223 -0.634 0.000 2.559 1057 L HA 0.032 4.372 4.340 -0.000 0.000 0.282 1057 L C 1.403 178.232 176.870 -0.068 0.000 1.232 1057 L CA 0.455 54.942 54.840 -0.588 0.000 0.885 1057 L CB 0.017 41.400 42.059 -1.128 0.000 1.131 1057 L HN 0.723 nan 8.230 nan 0.000 0.498 1058 E N 4.247 124.428 120.200 -0.032 0.000 2.374 1058 E HA 0.139 4.489 4.350 -0.000 0.000 0.260 1058 E C 0.054 176.648 176.600 -0.011 0.000 1.101 1058 E CA -0.720 55.696 56.400 0.026 0.000 0.907 1058 E CB 0.485 30.182 29.700 -0.004 0.000 1.014 1058 E HN 0.563 nan 8.360 nan 0.000 0.427 1059 K N 2.200 122.213 120.400 -0.646 0.000 2.419 1059 K HA 0.109 4.429 4.320 -0.000 0.000 0.282 1059 K C -2.143 174.304 176.600 -0.256 0.000 1.056 1059 K CA -1.107 54.641 56.287 -0.898 0.000 1.035 1059 K CB -0.079 31.734 32.500 -1.146 0.000 0.921 1059 K HN 0.294 nan 8.250 nan 0.000 0.472 1060 P HA -0.061 nan 4.420 nan 0.000 0.267 1060 P C 0.500 177.746 177.300 -0.091 0.000 1.200 1060 P CA -0.024 63.016 63.100 -0.100 0.000 0.772 1060 P CB 0.565 32.138 31.700 -0.211 0.000 0.855 1061 L N 1.509 122.697 121.223 -0.059 0.000 2.083 1061 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 1061 L C 1.830 178.700 176.870 -0.000 0.000 1.083 1061 L CA 1.540 56.362 54.840 -0.030 0.000 0.752 1061 L CB -0.842 41.218 42.059 0.001 0.000 0.899 1061 L HN 0.480 nan 8.230 nan 0.000 0.433 1062 N N -0.989 117.729 118.700 0.031 0.000 2.515 1062 N HA -0.075 4.665 4.740 -0.000 0.000 0.191 1062 N C -0.042 175.490 175.510 0.038 0.000 1.182 1062 N CA -0.009 53.085 53.050 0.073 0.000 0.879 1062 N CB -0.657 37.908 38.487 0.130 0.000 0.984 1062 N HN 0.188 nan 8.380 nan 0.000 0.453 1063 C N 0.737 120.041 119.300 0.008 0.000 2.351 1063 C HA 0.379 4.839 4.460 -0.000 0.000 0.326 1063 C C -0.111 174.906 174.990 0.045 0.000 1.272 1063 C CA -1.135 57.900 59.018 0.028 0.000 1.650 1063 C CB -0.241 27.504 27.740 0.008 0.000 2.257 1063 C HN 0.462 nan 8.230 nan 0.000 0.505 1064 D N 3.039 123.494 120.400 0.093 0.000 2.414 1064 D HA 0.082 4.722 4.640 -0.000 0.000 0.242 1064 D C 1.060 177.438 176.300 0.131 0.000 1.129 1064 D CA 0.365 54.425 54.000 0.101 0.000 0.885 1064 D CB 0.864 41.764 40.800 0.166 0.000 1.198 1064 D HN 0.593 nan 8.370 nan 0.000 0.437 1065 D N 2.190 122.652 120.400 0.104 0.000 2.190 1065 D HA -0.200 4.440 4.640 -0.000 0.000 0.200 1065 D C 1.373 177.761 176.300 0.148 0.000 0.992 1065 D CA 1.030 55.110 54.000 0.135 0.000 0.854 1065 D CB 0.120 40.974 40.800 0.091 0.000 0.936 1065 D HN 0.633 nan 8.370 nan 0.000 0.462 1066 E N -0.049 120.237 120.200 0.144 0.000 2.150 1066 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 1066 E C 2.092 178.731 176.600 0.065 0.000 0.985 1066 E CA 0.427 56.895 56.400 0.114 0.000 0.814 1066 E CB 0.334 30.151 29.700 0.195 0.000 0.752 1066 E HN 0.040 nan 8.360 nan 0.000 0.466 1067 V N 0.235 120.213 119.914 0.107 0.000 2.407 1067 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 1067 V C 1.927 178.057 176.094 0.060 0.000 1.041 1067 V CA 1.454 63.785 62.300 0.051 0.000 1.040 1067 V CB -0.581 31.288 31.823 0.077 0.000 0.671 1067 V HN 0.371 nan 8.190 nan 0.000 0.455 1068 Y N 1.943 122.234 120.300 -0.015 0.000 2.165 1068 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 1068 Y C 2.308 178.152 175.900 -0.094 0.000 1.155 1068 Y CA 1.878 59.961 58.100 -0.029 0.000 1.164 1068 Y CB -0.470 38.001 38.460 0.018 0.000 0.978 1068 Y HN 0.351 nan 8.280 nan 0.000 0.513 1069 D N -0.182 120.141 120.400 -0.129 0.000 2.117 1069 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 1069 D C 2.230 178.363 176.300 -0.278 0.000 0.987 1069 D CA 1.261 55.127 54.000 -0.224 0.000 0.829 1069 D CB -0.615 40.130 40.800 -0.092 0.000 0.961 1069 D HN 0.361 nan 8.370 nan 0.000 0.460 1070 L N 0.505 121.598 121.223 -0.217 0.000 2.012 1070 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 1070 L C 2.274 178.910 176.870 -0.390 0.000 1.073 1070 L CA 1.540 56.242 54.840 -0.231 0.000 0.748 1070 L CB -0.646 41.330 42.059 -0.138 0.000 0.891 1070 L HN -0.005 nan 8.230 nan 0.000 0.431 1071 M N -1.274 118.027 119.600 -0.497 0.000 2.082 1071 M HA -0.245 4.235 4.480 -0.000 0.000 0.258 1071 M C 2.277 177.723 176.300 -1.424 0.000 1.069 1071 M CA 1.587 56.307 55.300 -0.967 0.000 1.102 1071 M CB -0.450 31.645 32.600 -0.843 0.000 1.336 1071 M HN 0.153 nan 8.290 nan 0.000 0.404 1072 R N 0.483 120.394 120.500 -0.983 0.000 2.081 1072 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 1072 R C 1.998 178.008 176.300 -0.484 0.000 1.131 1072 R CA 1.454 57.149 56.100 -0.675 0.000 0.960 1072 R CB -0.951 29.022 30.300 -0.545 0.000 0.856 1072 R HN 0.607 nan 8.270 nan 0.000 0.436 1073 Q N -0.465 119.078 119.800 -0.428 0.000 2.096 1073 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 1073 Q C 2.262 178.066 176.000 -0.327 0.000 0.982 1073 Q CA 1.639 57.259 55.803 -0.304 0.000 0.850 1073 Q CB -0.265 28.324 28.738 -0.249 0.000 0.901 1073 Q HN 0.329 nan 8.270 nan 0.000 0.422 1074 C N -0.676 118.326 119.300 -0.495 0.000 2.419 1074 C HA -0.113 4.347 4.460 -0.000 0.000 0.283 1074 C C 1.230 175.992 174.990 -0.380 0.000 1.373 1074 C CA 0.146 58.892 59.018 -0.453 0.000 1.781 1074 C CB -0.826 26.572 27.740 -0.571 0.000 1.886 1074 C HN 0.621 nan 8.230 nan 0.000 0.520 1075 W N 0.571 121.575 121.300 -0.494 0.000 2.966 1075 W HA 0.338 4.998 4.660 -0.000 0.000 0.406 1075 W C 0.654 176.923 176.519 -0.417 0.000 1.027 1075 W CA -1.101 55.689 57.345 -0.925 0.000 1.930 1075 W CB -0.942 27.794 29.460 -1.206 0.000 1.144 1075 W HN 0.269 nan 8.180 nan 0.000 0.626 1076 R N 1.665 122.145 120.500 -0.032 0.000 2.583 1076 R HA -0.098 4.242 4.340 -0.000 0.000 0.274 1076 R C 1.629 178.019 176.300 0.149 0.000 0.998 1076 R CA 0.476 56.585 56.100 0.015 0.000 1.081 1076 R CB 0.734 30.997 30.300 -0.062 0.000 0.940 1076 R HN 0.196 nan 8.270 nan 0.000 0.413 1077 E N 3.058 123.332 120.200 0.124 0.000 2.097 1077 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 1077 E C -0.312 176.292 176.600 0.006 0.000 1.000 1077 E CA 1.353 57.831 56.400 0.130 0.000 0.804 1077 E CB 0.227 29.970 29.700 0.072 0.000 0.740 1077 E HN 0.338 nan 8.360 nan 0.000 0.454 1078 K N 1.104 121.410 120.400 -0.156 0.000 2.310 1078 K HA 0.070 4.390 4.320 -0.000 0.000 0.290 1078 K C -1.993 174.345 176.600 -0.436 0.000 1.077 1078 K CA -1.476 54.520 56.287 -0.485 0.000 0.922 1078 K CB 1.225 33.208 32.500 -0.862 0.000 1.057 1078 K HN 0.037 nan 8.250 nan 0.000 0.479 1079 P HA -0.217 nan 4.420 nan 0.000 0.216 1079 P C 0.652 177.928 177.300 -0.040 0.000 1.153 1079 P CA 1.375 64.454 63.100 -0.036 0.000 0.858 1079 P CB -0.055 31.690 31.700 0.075 0.000 0.789 1080 Y N -0.680 119.634 120.300 0.023 0.000 2.483 1080 Y HA 0.000 4.550 4.550 -0.000 0.000 0.291 1080 Y C 1.612 177.510 175.900 -0.002 0.000 1.143 1080 Y CA 0.589 58.692 58.100 0.006 0.000 1.289 1080 Y CB -1.640 36.821 38.460 0.002 0.000 0.983 1080 Y HN 0.051 nan 8.280 nan 0.000 0.556 1081 E N 0.724 120.822 120.200 -0.171 0.000 2.479 1081 E HA 0.097 4.447 4.350 -0.000 0.000 0.193 1081 E C 0.281 176.830 176.600 -0.086 0.000 1.049 1081 E CA -0.212 56.126 56.400 -0.103 0.000 0.870 1081 E CB 0.210 29.811 29.700 -0.165 0.000 0.944 1081 E HN 0.467 nan 8.360 nan 0.000 0.492 1082 R N 2.088 122.540 120.500 -0.080 0.000 2.582 1082 R HA 0.165 4.505 4.340 -0.000 0.000 0.271 1082 R C -2.145 174.088 176.300 -0.112 0.000 1.078 1082 R CA -1.513 54.529 56.100 -0.096 0.000 1.127 1082 R CB 0.033 30.293 30.300 -0.067 0.000 1.038 1082 R HN -0.022 nan 8.270 nan 0.000 0.500 1083 P HA 0.005 nan 4.420 nan 0.000 0.274 1083 P C -0.617 176.556 177.300 -0.210 0.000 1.246 1083 P CA -0.377 62.628 63.100 -0.159 0.000 0.795 1083 P CB 0.809 32.402 31.700 -0.179 0.000 1.006 1084 S N -0.268 115.332 115.700 -0.167 0.000 2.652 1084 S HA 0.238 4.708 4.470 -0.000 0.000 0.270 1084 S C 1.069 175.528 174.600 -0.235 0.000 1.243 1084 S CA -0.385 57.705 58.200 -0.183 0.000 0.999 1084 S CB -0.056 63.110 63.200 -0.057 0.000 0.973 1084 S HN 0.218 nan 8.310 nan 0.000 0.544 1085 F N 0.837 120.729 119.950 -0.097 0.000 2.216 1085 F HA 0.014 4.541 4.527 -0.000 0.000 0.300 1085 F C 2.744 178.467 175.800 -0.128 0.000 1.085 1085 F CA 1.367 59.271 58.000 -0.161 0.000 1.326 1085 F CB -1.101 37.823 39.000 -0.127 0.000 1.027 1085 F HN 0.774 nan 8.300 nan 0.000 0.497 1086 A N -0.541 122.329 122.820 0.083 0.000 1.930 1086 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 1086 A C 2.146 179.727 177.584 -0.006 0.000 1.175 1086 A CA 1.490 53.550 52.037 0.037 0.000 0.627 1086 A CB -0.700 18.321 19.000 0.035 0.000 0.815 1086 A HN 0.433 nan 8.150 nan 0.000 0.443 1087 Q N -0.583 119.195 119.800 -0.036 0.000 2.119 1087 Q HA -0.069 4.271 4.340 -0.000 0.000 0.201 1087 Q C 1.987 177.941 176.000 -0.076 0.000 0.972 1087 Q CA 1.424 57.193 55.803 -0.057 0.000 0.847 1087 Q CB -0.282 28.412 28.738 -0.074 0.000 0.903 1087 Q HN 0.740 nan 8.270 nan 0.000 0.433 1088 I N 0.268 120.773 120.570 -0.108 0.000 2.226 1088 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 1088 I C 2.217 178.292 176.117 -0.071 0.000 1.100 1088 I CA 0.590 61.816 61.300 -0.123 0.000 1.374 1088 I CB -0.197 37.657 38.000 -0.244 0.000 1.057 1088 I HN 0.228 nan 8.210 nan 0.000 0.413 1089 L N 0.487 121.684 121.223 -0.044 0.000 2.012 1089 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 1089 L C 2.394 179.250 176.870 -0.024 0.000 1.073 1089 L CA 1.829 56.660 54.840 -0.014 0.000 0.748 1089 L CB -0.512 41.556 42.059 0.014 0.000 0.891 1089 L HN -0.016 nan 8.230 nan 0.000 0.431 1090 V N -0.789 119.109 119.914 -0.026 0.000 2.343 1090 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 1090 V C 2.521 178.586 176.094 -0.047 0.000 1.051 1090 V CA 1.819 64.101 62.300 -0.029 0.000 1.036 1090 V CB -0.680 31.130 31.823 -0.021 0.000 0.654 1090 V HN 0.543 nan 8.190 nan 0.000 0.451 1091 S N 0.171 115.835 115.700 -0.060 0.000 2.368 1091 S HA -0.093 4.376 4.470 -0.000 0.000 0.224 1091 S C 1.932 176.464 174.600 -0.113 0.000 1.029 1091 S CA 1.365 59.517 58.200 -0.080 0.000 0.988 1091 S CB -0.369 62.781 63.200 -0.084 0.000 0.838 1091 S HN 0.455 nan 8.310 nan 0.000 0.462 1092 L N 1.770 122.933 121.223 -0.100 0.000 2.046 1092 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 1092 L C 2.292 179.070 176.870 -0.153 0.000 1.077 1092 L CA 0.987 55.750 54.840 -0.128 0.000 0.747 1092 L CB -0.753 41.270 42.059 -0.060 0.000 0.896 1092 L HN 0.250 nan 8.230 nan 0.000 0.432 1093 N N -0.031 118.606 118.700 -0.105 0.000 2.069 1093 N HA -0.210 4.530 4.740 -0.000 0.000 0.191 1093 N C 1.850 177.310 175.510 -0.083 0.000 1.031 1093 N CA 1.143 54.138 53.050 -0.092 0.000 0.852 1093 N CB -0.347 38.114 38.487 -0.044 0.000 1.018 1093 N HN 0.247 nan 8.380 nan 0.000 0.423 1094 R N 0.551 121.007 120.500 -0.074 0.000 2.094 1094 R HA -0.079 4.261 4.340 -0.000 0.000 0.239 1094 R C 2.176 178.433 176.300 -0.072 0.000 1.137 1094 R CA 1.566 57.633 56.100 -0.055 0.000 0.943 1094 R CB -0.187 30.085 30.300 -0.047 0.000 0.850 1094 R HN 0.206 nan 8.270 nan 0.000 0.433 1095 M N 0.366 119.858 119.600 -0.180 0.000 2.080 1095 M HA -0.204 4.276 4.480 -0.000 0.000 0.260 1095 M C 2.313 178.525 176.300 -0.145 0.000 1.068 1095 M CA 1.639 56.731 55.300 -0.347 0.000 1.109 1095 M CB -0.254 31.831 32.600 -0.859 0.000 1.342 1095 M HN 0.192 nan 8.290 nan 0.000 0.405 1096 L N -0.329 120.798 121.223 -0.161 0.000 2.191 1096 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 1096 L C 2.506 179.372 176.870 -0.007 0.000 1.103 1096 L CA 0.849 55.628 54.840 -0.102 0.000 0.769 1096 L CB -0.535 41.372 42.059 -0.253 0.000 0.908 1096 L HN 0.281 nan 8.230 nan 0.000 0.438 1097 E N 0.155 120.354 120.200 -0.002 0.000 2.208 1097 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 1097 E C 0.542 177.174 176.600 0.054 0.000 0.988 1097 E CA 0.350 56.766 56.400 0.027 0.000 0.828 1097 E CB 0.074 29.784 29.700 0.017 0.000 0.763 1097 E HN 0.555 nan 8.360 nan 0.000 0.478 1098 E N -0.290 119.965 120.200 0.091 0.000 2.408 1098 E HA 0.101 4.451 4.350 -0.000 0.000 0.259 1098 E C 1.432 178.088 176.600 0.095 0.000 1.110 1098 E CA 0.260 56.728 56.400 0.113 0.000 0.929 1098 E CB 0.595 30.412 29.700 0.196 0.000 0.971 1098 E HN 0.077 nan 8.360 nan 0.000 0.438 1099 R N 3.065 123.595 120.500 0.050 0.000 2.073 1099 R HA -0.092 4.248 4.340 -0.000 0.000 0.229 1099 R C 1.371 177.670 176.300 -0.002 0.000 1.120 1099 R CA 1.557 57.670 56.100 0.022 0.000 0.967 1099 R CB -0.783 29.520 30.300 0.004 0.000 0.862 1099 R HN 0.526 nan 8.270 nan 0.000 0.436 1100 K N 1.749 122.121 120.400 -0.047 0.000 2.569 1100 K HA -0.047 4.272 4.320 -0.000 0.000 0.280 1100 K C -0.837 175.639 176.600 -0.206 0.000 0.984 1100 K CA 0.880 57.054 56.287 -0.189 0.000 1.064 1100 K CB 0.150 32.437 32.500 -0.355 0.000 0.866 1100 K HN 0.363 nan 8.250 nan 0.000 0.492 1101 T N 4.731 119.161 114.554 -0.206 0.000 2.806 1101 T HA 0.178 4.528 4.350 -0.000 0.000 0.290 1101 T C 0.184 174.760 174.700 -0.208 0.000 0.966 1101 T CA -0.293 61.745 62.100 -0.103 0.000 1.060 1101 T CB 0.442 69.283 68.868 -0.045 0.000 0.927 1101 T HN 0.513 nan 8.240 nan 0.000 0.485 1102 Y N 1.607 121.909 120.300 0.004 0.000 2.522 1102 Y HA 0.300 4.850 4.550 -0.000 0.000 0.277 1102 Y C 0.897 176.804 175.900 0.012 0.000 1.104 1102 Y CA -0.092 58.012 58.100 0.007 0.000 1.260 1102 Y CB 0.793 39.257 38.460 0.005 0.000 1.151 1102 Y HN 0.310 nan 8.280 nan 0.000 0.539 1103 V N 1.534 121.541 119.914 0.156 0.000 2.378 1103 V HA 0.198 4.318 4.120 -0.000 0.000 0.288 1103 V C -0.803 175.335 176.094 0.074 0.000 1.016 1103 V CA -1.160 61.201 62.300 0.102 0.000 0.840 1103 V CB 1.121 33.002 31.823 0.097 0.000 0.994 1103 V HN 0.144 nan 8.190 nan 0.000 0.431 1104 N N 3.075 121.815 118.700 0.067 0.000 2.442 1104 N HA 0.170 4.910 4.740 -0.000 0.000 0.265 1104 N C 0.935 176.498 175.510 0.088 0.000 1.138 1104 N CA 0.346 53.436 53.050 0.066 0.000 0.956 1104 N CB 1.177 39.706 38.487 0.070 0.000 1.067 1104 N HN 0.780 nan 8.380 nan 0.000 0.474 1105 T N -1.226 113.356 114.554 0.047 0.000 3.129 1105 T HA 0.104 4.454 4.350 -0.000 0.000 0.267 1105 T C 0.569 175.219 174.700 -0.083 0.000 1.018 1105 T CA -0.375 61.730 62.100 0.008 0.000 0.903 1105 T CB -0.704 68.175 68.868 0.020 0.000 1.067 1105 T HN 0.491 nan 8.240 nan 0.000 0.549 1106 T N 1.000 115.527 114.554 -0.045 0.000 2.910 1106 T HA 0.609 4.959 4.350 -0.000 0.000 0.293 1106 T C 0.166 174.769 174.700 -0.162 0.000 1.015 1106 T CA -0.890 61.163 62.100 -0.078 0.000 1.094 1106 T CB 0.715 69.579 68.868 -0.007 0.000 0.968 1106 T HN 0.263 nan 8.240 nan 0.000 0.521 1107 L N 3.204 124.283 121.223 -0.240 0.000 2.397 1107 L HA 0.474 4.814 4.340 -0.000 0.000 0.271 1107 L C -0.306 176.530 176.870 -0.057 0.000 1.148 1107 L CA -0.829 53.806 54.840 -0.342 0.000 0.825 1107 L CB 0.338 42.205 42.059 -0.320 0.000 1.117 1107 L HN 0.867 nan 8.230 nan 0.000 0.456 1108 Y N -0.882 119.395 120.300 -0.039 0.000 2.669 1108 Y HA 0.530 5.080 4.550 -0.000 0.000 0.335 1108 Y C 0.927 176.850 175.900 0.039 0.000 1.116 1108 Y CA -0.577 57.528 58.100 0.008 0.000 1.081 1108 Y CB 0.666 39.143 38.460 0.027 0.000 1.297 1108 Y HN 0.494 nan 8.280 nan 0.000 0.484 1109 E N 1.094 121.417 120.200 0.204 0.000 2.049 1109 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 1109 E C 1.111 177.753 176.600 0.071 0.000 1.007 1109 E CA 2.360 58.822 56.400 0.103 0.000 0.809 1109 E CB -0.525 29.238 29.700 0.104 0.000 0.749 1109 E HN 0.572 nan 8.360 nan 0.000 0.450 1110 K N -0.723 119.783 120.400 0.177 0.000 2.500 1110 K HA 0.294 4.614 4.320 -0.000 0.000 0.206 1110 K C -0.332 176.217 176.600 -0.085 0.000 1.034 1110 K CA -0.539 55.803 56.287 0.092 0.000 1.179 1110 K CB -0.673 31.923 32.500 0.161 0.000 0.884 1110 K HN 0.427 nan 8.250 nan 0.000 0.493 1111 F N 0.731 120.318 119.950 -0.604 0.000 2.578 1111 F HA 0.089 4.616 4.527 -0.000 0.000 0.376 1111 F C 0.316 175.855 175.800 -0.436 0.000 1.085 1111 F CA 0.775 58.257 58.000 -0.863 0.000 1.260 1111 F CB 0.581 38.926 39.000 -1.092 0.000 1.095 1111 F HN -0.130 nan 8.300 nan 0.000 0.573 1112 T N 5.513 119.309 114.554 -1.263 0.000 2.909 1112 T HA 0.396 4.746 4.350 -0.000 0.000 0.299 1112 T C -1.119 172.885 174.700 -1.160 0.000 1.073 1112 T CA -0.363 61.205 62.100 -0.888 0.000 0.999 1112 T CB 0.502 69.150 68.868 -0.367 0.000 1.098 1112 T HN 0.461 nan 8.240 nan 0.000 0.477 1113 Y N 1.583 121.588 120.300 -0.493 0.000 2.301 1113 Y HA 0.537 5.087 4.550 -0.000 0.000 0.328 1113 Y C 1.137 176.938 175.900 -0.166 0.000 1.242 1113 Y CA -0.774 57.175 58.100 -0.253 0.000 1.323 1113 Y CB 0.720 39.168 38.460 -0.020 0.000 1.266 1113 Y HN 0.769 nan 8.280 nan 0.000 0.527 1114 A N 1.860 124.723 122.820 0.071 0.000 2.520 1114 A HA 0.369 4.689 4.320 -0.000 0.000 0.245 1114 A C 0.722 178.369 177.584 0.105 0.000 1.072 1114 A CA 0.132 52.204 52.037 0.057 0.000 0.761 1114 A CB -0.565 18.421 19.000 -0.023 0.000 1.004 1114 A HN 0.909 nan 8.150 nan 0.000 0.499 1115 G N 0.675 109.542 108.800 0.113 0.000 2.544 1115 G HA2 0.413 4.373 3.960 -0.000 0.000 0.242 1115 G HA3 0.413 4.373 3.960 -0.000 0.000 0.242 1115 G C 0.491 175.461 174.900 0.116 0.000 1.247 1115 G CA -0.233 44.929 45.100 0.103 0.000 0.840 1115 G HN 0.675 nan 8.290 nan 0.000 0.578 1116 I N -0.475 120.150 120.570 0.091 0.000 3.518 1116 I HA 0.183 4.353 4.170 -0.000 0.000 0.260 1116 I C 0.390 176.561 176.117 0.090 0.000 1.148 1116 I CA 0.065 61.423 61.300 0.096 0.000 1.440 1116 I CB 0.326 38.366 38.000 0.067 0.000 1.485 1116 I HN 0.296 nan 8.210 nan 0.000 0.456 1117 D N 0.000 120.442 120.400 0.070 0.000 6.856 1117 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 1117 D CA 0.000 54.038 54.000 0.063 0.000 0.868 1117 D CB 0.000 40.830 40.800 0.050 0.000 0.688 1117 D HN 0.000 nan 8.370 nan 0.000 0.683