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 2bjb_1_A DATA FIRST_RESID 2 DATA SEQUENCE KTWPAPTAPT PVRATVTVPG SKSQTNRALV LAALAAAQGR GASTISGALR DATA SEQUENCE SRDTELMLDA LQTLGLRVDG VGSELTVSGR IEPGPGARVD CGLAGTVLRF DATA SEQUENCE VPPLAALGSV PVTFDGDXQA RGRPIAPLLD ALRELGVAVD GTGLPFRVRG DATA SEQUENCE NGSLAGGTVA IDASASSQFV SGLLLSAASF TDGLTVQHTG SSLPSAPHIA DATA SEQUENCE MTAAMLRQAG VDIDDSTPNR WQVRPGPVAA RRWDIEPDLT NAVAFLSAAV DATA SEQUENCE VSGGTVRITG WPRVSVQPAD HILAILRQLN AVVIHADSSL EVRGPTGYDG DATA SEQUENCE FDVDLRAVGE LTPSVAALAA LASPGSVSRL SGIAHLRGHE TDRLAALSTE DATA SEQUENCE INRLGGTCRE TPDGLVITAT PLRPGIWRAY ADHRMAMAGA IIGLRVAGVE DATA SEQUENCE VDDIAATTKT LPEFPRLWAE MVG 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.652 176.600 0.086 0.000 0.988 2 K CA 0.000 56.322 56.287 0.058 0.000 0.838 2 K CB 0.000 32.523 32.500 0.038 0.000 1.064 3 T N -1.090 113.516 114.554 0.088 0.000 2.828 3 T HA 0.337 4.686 4.350 -0.001 0.000 0.290 3 T C -0.646 174.175 174.700 0.202 0.000 1.019 3 T CA -0.431 61.747 62.100 0.130 0.000 1.031 3 T CB 1.018 69.945 68.868 0.098 0.000 1.001 3 T HN 0.304 nan 8.240 nan 0.000 0.531 4 W N 4.526 125.844 121.300 0.030 0.000 2.361 4 W HA 0.482 5.142 4.660 -0.001 0.000 0.314 4 W C -2.565 173.976 176.519 0.038 0.000 1.041 4 W CA -2.952 54.414 57.345 0.036 0.000 1.241 4 W CB 1.403 30.887 29.460 0.040 0.000 1.279 4 W HN 0.530 nan 8.180 nan 0.000 0.436 5 P HA 0.193 nan 4.420 nan 0.000 0.282 5 P C -0.555 176.248 177.300 -0.829 0.000 1.274 5 P CA 0.074 62.939 63.100 -0.392 0.000 0.770 5 P CB 1.007 32.548 31.700 -0.265 0.000 0.867 6 A N 7.162 129.642 122.820 -0.567 0.000 2.404 6 A HA 0.448 4.768 4.320 -0.001 0.000 0.273 6 A C -1.918 175.484 177.584 -0.303 0.000 1.144 6 A CA -1.506 50.168 52.037 -0.605 0.000 0.806 6 A CB -0.629 18.293 19.000 -0.129 0.000 1.080 6 A HN 0.410 nan 8.150 nan 0.000 0.509 7 P HA 0.172 nan 4.420 nan 0.000 0.271 7 P C -0.199 177.097 177.300 -0.008 0.000 1.216 7 P CA 0.175 63.222 63.100 -0.090 0.000 0.776 7 P CB 0.780 32.452 31.700 -0.046 0.000 0.881 8 T N 1.453 115.987 114.554 -0.033 0.000 2.907 8 T HA 0.514 4.863 4.350 -0.001 0.000 0.284 8 T C 0.158 174.841 174.700 -0.028 0.000 1.004 8 T CA -0.214 61.876 62.100 -0.017 0.000 1.063 8 T CB 0.936 69.790 68.868 -0.023 0.000 0.992 8 T HN 0.422 nan 8.240 nan 0.000 0.483 9 A N 3.940 126.746 122.820 -0.023 0.000 2.644 9 A HA 0.529 4.849 4.320 -0.001 0.000 0.343 9 A C -1.524 176.046 177.584 -0.023 0.000 1.324 9 A CA -1.334 50.682 52.037 -0.036 0.000 0.846 9 A CB 0.421 19.391 19.000 -0.050 0.000 1.128 9 A HN 0.570 nan 8.150 nan 0.000 0.484 10 P HA -0.015 nan 4.420 nan 0.000 0.225 10 P C 0.689 177.979 177.300 -0.017 0.000 1.156 10 P CA 1.249 64.339 63.100 -0.017 0.000 0.787 10 P CB 0.049 31.738 31.700 -0.017 0.000 0.802 11 T N -3.733 110.808 114.554 -0.021 0.000 2.950 11 T HA 0.589 4.939 4.350 -0.001 0.000 0.288 11 T C -2.990 171.695 174.700 -0.024 0.000 1.035 11 T CA -2.671 59.417 62.100 -0.020 0.000 1.028 11 T CB 1.017 69.873 68.868 -0.021 0.000 1.109 11 T HN -0.256 nan 8.240 nan 0.000 0.514 12 P HA 0.213 nan 4.420 nan 0.000 0.265 12 P C -0.272 177.006 177.300 -0.037 0.000 1.193 12 P CA -0.421 62.666 63.100 -0.023 0.000 0.765 12 P CB 0.224 31.915 31.700 -0.015 0.000 0.823 13 V N 5.575 125.459 119.914 -0.051 0.000 2.740 13 V HA 0.106 4.225 4.120 -0.001 0.000 0.303 13 V C 0.919 176.980 176.094 -0.054 0.000 1.054 13 V CA 0.429 62.686 62.300 -0.071 0.000 1.106 13 V CB -0.122 31.635 31.823 -0.110 0.000 0.957 13 V HN 0.470 nan 8.190 nan 0.000 0.486 14 R N 3.351 123.820 120.500 -0.053 0.000 2.507 14 R HA 0.754 5.093 4.340 -0.001 0.000 0.298 14 R C -0.798 175.476 176.300 -0.043 0.000 1.087 14 R CA -0.246 55.829 56.100 -0.041 0.000 0.917 14 R CB 1.744 32.025 30.300 -0.033 0.000 1.173 14 R HN 0.811 nan 8.270 nan 0.000 0.472 15 A N 1.366 124.161 122.820 -0.041 0.000 2.574 15 A HA 0.672 4.991 4.320 -0.001 0.000 0.297 15 A C -0.893 176.671 177.584 -0.033 0.000 1.062 15 A CA -0.551 51.463 52.037 -0.039 0.000 0.686 15 A CB 2.049 21.021 19.000 -0.047 0.000 1.285 15 A HN 0.341 nan 8.150 nan 0.000 0.403 16 T N 1.813 116.347 114.554 -0.032 0.000 2.770 16 T HA 0.602 4.952 4.350 -0.001 0.000 0.283 16 T C -0.276 174.397 174.700 -0.046 0.000 0.988 16 T CA -0.259 61.821 62.100 -0.032 0.000 0.957 16 T CB 0.819 69.673 68.868 -0.023 0.000 0.930 16 T HN 1.479 nan 8.240 nan 0.000 0.443 17 V N 1.270 121.143 119.914 -0.067 0.000 2.735 17 V HA 0.756 4.876 4.120 -0.001 0.000 0.310 17 V C -0.143 175.881 176.094 -0.116 0.000 1.061 17 V CA -0.824 61.397 62.300 -0.133 0.000 0.913 17 V CB 1.931 33.601 31.823 -0.255 0.000 1.005 17 V HN 0.728 nan 8.190 nan 0.000 0.428 18 T N 3.828 118.313 114.554 -0.115 0.000 2.753 18 T HA 0.529 4.879 4.350 -0.001 0.000 0.297 18 T C -0.118 174.508 174.700 -0.124 0.000 0.981 18 T CA -0.178 61.883 62.100 -0.066 0.000 0.956 18 T CB 1.084 69.936 68.868 -0.027 0.000 0.936 18 T HN 0.655 nan 8.240 nan 0.000 0.463 19 V N 7.800 127.652 119.914 -0.103 0.000 2.546 19 V HA 0.314 4.434 4.120 -0.001 0.000 0.284 19 V C -1.565 174.529 176.094 -0.001 0.000 1.050 19 V CA -1.815 60.424 62.300 -0.102 0.000 0.981 19 V CB 0.947 32.752 31.823 -0.031 0.000 0.990 19 V HN 0.714 nan 8.190 nan 0.000 0.474 20 P HA 0.154 nan 4.420 nan 0.000 0.272 20 P C 0.172 177.495 177.300 0.038 0.000 1.230 20 P CA 0.001 63.124 63.100 0.038 0.000 0.788 20 P CB 0.659 32.392 31.700 0.055 0.000 0.949 21 G N 0.622 109.436 108.800 0.023 0.000 2.606 21 G HA2 0.200 4.159 3.960 -0.001 0.000 0.252 21 G HA3 0.200 4.159 3.960 -0.001 0.000 0.252 21 G C -0.017 174.889 174.900 0.010 0.000 1.206 21 G CA -0.346 44.760 45.100 0.010 0.000 0.861 21 G HN 0.576 nan 8.290 nan 0.000 0.561 22 S N -0.491 115.206 115.700 -0.005 0.000 2.525 22 S HA -0.003 4.467 4.470 -0.001 0.000 0.285 22 S C 1.621 176.218 174.600 -0.005 0.000 1.283 22 S CA 0.007 58.203 58.200 -0.006 0.000 1.072 22 S CB 0.699 63.880 63.200 -0.031 0.000 0.867 22 S HN 0.684 nan 8.310 nan 0.000 0.492 23 K N 3.651 124.052 120.400 0.002 0.000 2.063 23 K HA -0.104 4.215 4.320 -0.001 0.000 0.208 23 K C 2.154 178.759 176.600 0.008 0.000 1.048 23 K CA 1.859 58.145 56.287 -0.000 0.000 0.928 23 K CB -0.435 32.065 32.500 -0.001 0.000 0.713 23 K HN 0.676 nan 8.250 nan 0.000 0.442 24 S N 0.850 116.562 115.700 0.019 0.000 2.359 24 S HA -0.181 4.288 4.470 -0.001 0.000 0.224 24 S C 1.919 176.533 174.600 0.024 0.000 1.035 24 S CA 1.346 59.574 58.200 0.047 0.000 1.018 24 S CB -0.203 63.010 63.200 0.023 0.000 0.876 24 S HN 0.399 nan 8.310 nan 0.000 0.448 25 Q N -0.012 119.773 119.800 -0.025 0.000 2.119 25 Q HA -0.064 4.276 4.340 -0.001 0.000 0.201 25 Q C 2.285 178.239 176.000 -0.078 0.000 0.972 25 Q CA 1.382 57.148 55.803 -0.062 0.000 0.847 25 Q CB -0.262 28.441 28.738 -0.058 0.000 0.903 25 Q HN 0.473 nan 8.270 nan 0.000 0.433 26 T N 0.735 115.263 114.554 -0.042 0.000 2.674 26 T HA -0.147 4.202 4.350 -0.001 0.000 0.265 26 T C 1.357 176.031 174.700 -0.044 0.000 1.039 26 T CA 1.647 63.720 62.100 -0.045 0.000 1.150 26 T CB -0.339 68.518 68.868 -0.019 0.000 0.864 26 T HN 0.378 nan 8.240 nan 0.000 0.427 27 N N 0.276 118.982 118.700 0.011 0.000 2.166 27 N HA -0.033 4.706 4.740 -0.001 0.000 0.186 27 N C 2.187 177.774 175.510 0.129 0.000 1.019 27 N CA 0.683 53.785 53.050 0.086 0.000 0.856 27 N CB -0.020 38.528 38.487 0.103 0.000 0.993 27 N HN 0.293 nan 8.380 nan 0.000 0.426 28 R N 0.745 121.275 120.500 0.049 0.000 2.073 28 R HA -0.036 4.304 4.340 -0.001 0.000 0.234 28 R C 2.345 178.432 176.300 -0.354 0.000 1.134 28 R CA 1.364 57.375 56.100 -0.148 0.000 0.952 28 R CB -0.301 29.884 30.300 -0.191 0.000 0.850 28 R HN 0.196 nan 8.270 nan 0.000 0.433 29 A N 1.118 123.662 122.820 -0.460 0.000 1.902 29 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 29 A C 2.177 179.471 177.584 -0.483 0.000 1.181 29 A CA 1.144 52.690 52.037 -0.818 0.000 0.623 29 A CB -0.545 18.013 19.000 -0.736 0.000 0.818 29 A HN 0.179 nan 8.150 nan 0.000 0.443 30 L N -0.556 120.534 121.223 -0.221 0.000 2.012 30 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 30 L C 2.555 179.384 176.870 -0.069 0.000 1.073 30 L CA 1.317 56.101 54.840 -0.094 0.000 0.748 30 L CB -0.594 41.452 42.059 -0.022 0.000 0.891 30 L HN 0.262 nan 8.230 nan 0.000 0.431 31 V N -0.060 119.813 119.914 -0.069 0.000 2.295 31 V HA -0.284 3.836 4.120 -0.001 0.000 0.246 31 V C 2.359 178.402 176.094 -0.086 0.000 1.049 31 V CA 1.637 63.905 62.300 -0.053 0.000 1.024 31 V CB -0.392 31.387 31.823 -0.074 0.000 0.648 31 V HN 0.344 nan 8.190 nan 0.000 0.447 32 L N 0.011 121.132 121.223 -0.169 0.000 2.093 32 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 32 L C 2.711 179.612 176.870 0.052 0.000 1.085 32 L CA 1.439 56.227 54.840 -0.087 0.000 0.755 32 L CB -0.749 41.207 42.059 -0.172 0.000 0.904 32 L HN 0.365 nan 8.230 nan 0.000 0.435 33 A N 0.044 122.878 122.820 0.022 0.000 1.898 33 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 33 A C 2.542 180.175 177.584 0.082 0.000 1.181 33 A CA 1.610 53.728 52.037 0.134 0.000 0.620 33 A CB -0.637 18.429 19.000 0.110 0.000 0.819 33 A HN 0.387 nan 8.150 nan 0.000 0.442 34 A N -0.607 122.238 122.820 0.042 0.000 1.902 34 A HA -0.043 4.276 4.320 -0.001 0.000 0.217 34 A C 2.117 179.729 177.584 0.047 0.000 1.181 34 A CA 1.789 53.852 52.037 0.044 0.000 0.623 34 A CB -0.572 18.453 19.000 0.040 0.000 0.818 34 A HN 0.573 nan 8.150 nan 0.000 0.443 35 L N -0.343 120.904 121.223 0.040 0.000 2.056 35 L HA 0.014 4.354 4.340 -0.001 0.000 0.207 35 L C 2.729 179.628 176.870 0.048 0.000 1.078 35 L CA 2.031 56.894 54.840 0.038 0.000 0.749 35 L CB -1.043 41.026 42.059 0.017 0.000 0.901 35 L HN 0.355 nan 8.230 nan 0.000 0.433 36 A N -0.469 122.390 122.820 0.066 0.000 1.883 36 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 36 A C 2.457 180.074 177.584 0.055 0.000 1.186 36 A CA 2.095 54.173 52.037 0.068 0.000 0.624 36 A CB -1.197 17.863 19.000 0.102 0.000 0.822 36 A HN 0.549 nan 8.150 nan 0.000 0.444 37 A N -0.213 122.642 122.820 0.059 0.000 1.877 37 A HA 0.138 4.458 4.320 -0.001 0.000 0.216 37 A C 2.530 180.139 177.584 0.040 0.000 1.186 37 A CA 2.247 54.313 52.037 0.048 0.000 0.620 37 A CB -1.097 17.932 19.000 0.049 0.000 0.822 37 A HN 1.139 nan 8.150 nan 0.000 0.443 38 A N -0.837 122.009 122.820 0.042 0.000 1.933 38 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 38 A C 2.046 179.652 177.584 0.037 0.000 1.175 38 A CA 1.631 53.692 52.037 0.040 0.000 0.628 38 A CB -0.546 18.482 19.000 0.046 0.000 0.814 38 A HN 0.658 nan 8.150 nan 0.000 0.444 39 Q N -1.679 118.143 119.800 0.037 0.000 2.488 39 Q HA 0.166 4.506 4.340 -0.001 0.000 0.211 39 Q C 1.084 177.100 176.000 0.027 0.000 0.967 39 Q CA 0.414 56.237 55.803 0.032 0.000 0.926 39 Q CB -0.092 28.665 28.738 0.031 0.000 0.992 39 Q HN 0.924 nan 8.270 nan 0.000 0.506 40 G N 1.267 110.084 108.800 0.028 0.000 2.147 40 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.244 40 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.244 40 G C 0.597 175.509 174.900 0.020 0.000 1.005 40 G CA 0.142 45.255 45.100 0.023 0.000 0.713 40 G HN 0.165 nan 8.290 nan 0.000 0.515 41 R N 0.327 120.842 120.500 0.024 0.000 2.297 41 R HA 0.430 4.769 4.340 -0.001 0.000 0.197 41 R C 1.421 177.731 176.300 0.018 0.000 0.943 41 R CA 0.962 57.074 56.100 0.019 0.000 1.038 41 R CB -0.420 29.893 30.300 0.022 0.000 0.957 41 R HN 1.804 nan 8.270 nan 0.000 0.484 42 G N -0.208 108.605 108.800 0.023 0.000 2.440 42 G HA2 0.127 4.086 3.960 -0.001 0.000 0.684 42 G HA3 0.127 4.086 3.960 -0.001 0.000 0.684 42 G C -1.197 173.723 174.900 0.034 0.000 1.309 42 G CA -0.609 44.504 45.100 0.022 0.000 0.931 42 G HN 0.307 nan 8.290 nan 0.000 0.612 43 A N 0.364 123.202 122.820 0.031 0.000 2.440 43 A HA 0.763 5.083 4.320 -0.001 0.000 0.251 43 A C 0.817 178.431 177.584 0.050 0.000 1.089 43 A CA 0.965 53.026 52.037 0.041 0.000 0.779 43 A CB 0.440 19.459 19.000 0.032 0.000 1.022 43 A HN 1.739 nan 8.150 nan 0.000 0.492 44 S N 0.033 115.783 115.700 0.083 0.000 2.664 44 S HA 0.772 5.241 4.470 -0.001 0.000 0.304 44 S C 0.241 174.912 174.600 0.118 0.000 1.099 44 S CA -0.237 58.031 58.200 0.113 0.000 1.003 44 S CB 1.658 65.002 63.200 0.240 0.000 1.092 44 S HN 1.011 nan 8.310 nan 0.000 0.525 45 T N -0.693 113.934 114.554 0.122 0.000 2.885 45 T HA 0.774 5.123 4.350 -0.001 0.000 0.285 45 T C -0.599 174.215 174.700 0.190 0.000 1.019 45 T CA -0.681 61.488 62.100 0.116 0.000 1.010 45 T CB 0.511 69.418 68.868 0.065 0.000 1.022 45 T HN 0.438 nan 8.240 nan 0.000 0.466 46 I N 1.901 122.564 120.570 0.154 0.000 2.418 46 I HA 0.466 4.635 4.170 -0.001 0.000 0.287 46 I C -0.111 176.070 176.117 0.105 0.000 1.008 46 I CA -0.772 60.628 61.300 0.167 0.000 1.104 46 I CB 2.081 40.148 38.000 0.111 0.000 1.264 46 I HN 0.687 nan 8.210 nan 0.000 0.438 47 S N 3.953 119.717 115.700 0.106 0.000 2.478 47 S HA 0.688 5.158 4.470 -0.001 0.000 0.312 47 S C 0.530 175.167 174.600 0.061 0.000 1.094 47 S CA 0.345 58.587 58.200 0.070 0.000 1.081 47 S CB 1.268 64.504 63.200 0.061 0.000 1.007 47 S HN 1.072 nan 8.310 nan 0.000 0.475 48 G N 2.646 111.473 108.800 0.044 0.000 2.131 48 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.223 48 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.223 48 G C 0.282 175.198 174.900 0.027 0.000 0.990 48 G CA -0.090 45.031 45.100 0.034 0.000 0.671 48 G HN 1.361 nan 8.290 nan 0.000 0.521 49 A N -0.175 122.662 122.820 0.028 0.000 2.511 49 A HA 0.601 4.920 4.320 -0.001 0.000 0.242 49 A C 0.695 178.288 177.584 0.014 0.000 1.069 49 A CA 0.362 52.409 52.037 0.017 0.000 0.763 49 A CB 0.513 19.523 19.000 0.016 0.000 1.001 49 A HN 1.667 nan 8.150 nan 0.000 0.498 50 L N 2.800 124.028 121.223 0.008 0.000 2.453 50 L HA 0.306 4.646 4.340 -0.001 0.000 0.272 50 L C 0.076 176.949 176.870 0.006 0.000 1.182 50 L CA 0.537 55.382 54.840 0.009 0.000 0.858 50 L CB 0.283 42.344 42.059 0.003 0.000 1.120 50 L HN 0.613 nan 8.230 nan 0.000 0.474 51 R N 4.199 124.705 120.500 0.009 0.000 2.337 51 R HA 0.545 4.885 4.340 -0.001 0.000 0.319 51 R C -0.704 175.596 176.300 0.001 0.000 0.954 51 R CA -0.273 55.830 56.100 0.006 0.000 0.840 51 R CB 0.969 31.276 30.300 0.011 0.000 1.164 51 R HN 0.868 nan 8.270 nan 0.000 0.472 52 S N 0.459 116.155 115.700 -0.007 0.000 2.671 52 S HA 0.394 4.863 4.470 -0.001 0.000 0.277 52 S C 0.844 175.434 174.600 -0.016 0.000 1.165 52 S CA -1.007 57.184 58.200 -0.015 0.000 0.822 52 S CB 2.480 65.665 63.200 -0.025 0.000 1.150 52 S HN 0.597 nan 8.310 nan 0.000 0.479 53 R N 0.380 120.868 120.500 -0.020 0.000 2.083 53 R HA -0.149 4.191 4.340 -0.001 0.000 0.237 53 R C 0.847 177.134 176.300 -0.021 0.000 1.137 53 R CA 2.401 58.489 56.100 -0.019 0.000 0.951 53 R CB -0.778 29.509 30.300 -0.021 0.000 0.851 53 R HN 0.748 nan 8.270 nan 0.000 0.434 54 D N -0.432 119.952 120.400 -0.027 0.000 2.117 54 D HA -0.128 4.512 4.640 -0.001 0.000 0.198 54 D C 1.931 178.213 176.300 -0.030 0.000 0.982 54 D CA 2.090 56.070 54.000 -0.033 0.000 0.828 54 D CB -0.449 40.325 40.800 -0.043 0.000 0.967 54 D HN 0.473 nan 8.370 nan 0.000 0.464 55 T N -1.337 113.202 114.554 -0.024 0.000 2.951 55 T HA -0.105 4.245 4.350 -0.001 0.000 0.268 55 T C 1.835 176.529 174.700 -0.010 0.000 1.073 55 T CA 1.135 63.225 62.100 -0.016 0.000 1.134 55 T CB 0.011 68.872 68.868 -0.012 0.000 0.884 55 T HN -0.066 nan 8.240 nan 0.000 0.479 56 E N 1.220 121.414 120.200 -0.010 0.000 2.106 56 E HA 0.033 4.383 4.350 -0.001 0.000 0.192 56 E C 1.990 178.585 176.600 -0.008 0.000 0.984 56 E CA 0.818 57.213 56.400 -0.007 0.000 0.806 56 E CB -0.652 29.043 29.700 -0.008 0.000 0.750 56 E HN 0.571 nan 8.360 nan 0.000 0.458 57 L N -0.254 120.962 121.223 -0.012 0.000 2.131 57 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 57 L C 2.399 179.267 176.870 -0.003 0.000 1.092 57 L CA 1.088 55.921 54.840 -0.012 0.000 0.759 57 L CB -0.340 41.710 42.059 -0.015 0.000 0.903 57 L HN 0.315 nan 8.230 nan 0.000 0.435 58 M N -0.139 119.460 119.600 -0.001 0.000 2.099 58 M HA -0.150 4.330 4.480 -0.001 0.000 0.262 58 M C 2.063 178.374 176.300 0.018 0.000 1.067 58 M CA 1.826 57.135 55.300 0.016 0.000 1.124 58 M CB -0.361 32.248 32.600 0.014 0.000 1.353 58 M HN 0.055 nan 8.290 nan 0.000 0.410 59 L N -0.217 121.012 121.223 0.009 0.000 2.042 59 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 59 L C 2.002 178.874 176.870 0.004 0.000 1.076 59 L CA 1.368 56.213 54.840 0.009 0.000 0.749 59 L CB -1.224 40.839 42.059 0.006 0.000 0.893 59 L HN 0.279 nan 8.230 nan 0.000 0.432 60 D N 0.141 120.538 120.400 -0.004 0.000 2.144 60 D HA -0.134 4.505 4.640 -0.001 0.000 0.199 60 D C 2.235 178.523 176.300 -0.020 0.000 0.984 60 D CA 1.462 55.454 54.000 -0.014 0.000 0.834 60 D CB -0.022 40.765 40.800 -0.022 0.000 0.955 60 D HN 0.306 nan 8.370 nan 0.000 0.465 61 A N 0.547 123.361 122.820 -0.010 0.000 1.898 61 A HA -0.102 4.218 4.320 -0.001 0.000 0.216 61 A C 2.366 179.953 177.584 0.005 0.000 1.181 61 A CA 0.842 52.872 52.037 -0.012 0.000 0.620 61 A CB -0.711 18.309 19.000 0.034 0.000 0.819 61 A HN 0.206 nan 8.150 nan 0.000 0.442 62 L N -0.931 120.307 121.223 0.024 0.000 2.093 62 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 62 L C 2.850 179.729 176.870 0.014 0.000 1.085 62 L CA 1.499 56.357 54.840 0.030 0.000 0.755 62 L CB -0.617 41.463 42.059 0.035 0.000 0.904 62 L HN 0.484 nan 8.230 nan 0.000 0.435 63 Q N -0.714 119.088 119.800 0.004 0.000 2.119 63 Q HA -0.154 4.185 4.340 -0.001 0.000 0.201 63 Q C 2.166 178.157 176.000 -0.015 0.000 0.972 63 Q CA 1.804 57.605 55.803 -0.003 0.000 0.847 63 Q CB -0.202 28.532 28.738 -0.005 0.000 0.903 63 Q HN 0.447 nan 8.270 nan 0.000 0.433 64 T N 1.459 115.995 114.554 -0.031 0.000 2.803 64 T HA -0.096 4.253 4.350 -0.001 0.000 0.269 64 T C 1.610 176.285 174.700 -0.042 0.000 1.052 64 T CA 0.850 62.918 62.100 -0.053 0.000 1.136 64 T CB -0.078 68.733 68.868 -0.096 0.000 0.864 64 T HN 0.224 nan 8.240 nan 0.000 0.467 65 L N 0.101 121.313 121.223 -0.019 0.000 2.552 65 L HA 0.193 4.533 4.340 -0.001 0.000 0.227 65 L C 2.040 178.916 176.870 0.010 0.000 1.146 65 L CA 0.614 55.456 54.840 0.004 0.000 0.858 65 L CB -0.428 41.652 42.059 0.035 0.000 0.969 65 L HN 0.530 nan 8.230 nan 0.000 0.451 66 G N -0.115 108.688 108.800 0.004 0.000 2.179 66 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.220 66 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.220 66 G C 0.150 175.058 174.900 0.013 0.000 0.990 66 G CA -0.469 44.636 45.100 0.007 0.000 0.646 66 G HN 0.164 nan 8.290 nan 0.000 0.517 67 L N 0.960 122.194 121.223 0.018 0.000 2.417 67 L HA 0.497 4.837 4.340 -0.001 0.000 0.268 67 L C 1.196 178.077 176.870 0.018 0.000 1.158 67 L CA -0.529 54.325 54.840 0.022 0.000 0.819 67 L CB 0.560 42.637 42.059 0.029 0.000 1.112 67 L HN 0.088 nan 8.230 nan 0.000 0.458 68 R N 1.883 122.395 120.500 0.020 0.000 2.221 68 R HA 0.478 4.818 4.340 -0.001 0.000 0.327 68 R C -1.114 175.198 176.300 0.021 0.000 1.033 68 R CA -0.566 55.544 56.100 0.017 0.000 0.887 68 R CB 1.380 31.690 30.300 0.017 0.000 1.057 68 R HN 0.304 nan 8.270 nan 0.000 0.455 69 V N 3.051 122.975 119.914 0.018 0.000 2.459 69 V HA 0.279 4.399 4.120 -0.001 0.000 0.295 69 V C -0.483 175.622 176.094 0.018 0.000 1.029 69 V CA -0.555 61.758 62.300 0.020 0.000 0.874 69 V CB 1.865 33.699 31.823 0.018 0.000 0.985 69 V HN 0.712 nan 8.190 nan 0.000 0.438 70 D N 1.989 122.402 120.400 0.021 0.000 2.661 70 D HA 0.825 5.465 4.640 -0.001 0.000 0.228 70 D C -0.109 176.204 176.300 0.021 0.000 1.183 70 D CA 0.704 54.716 54.000 0.019 0.000 0.844 70 D CB 2.380 43.191 40.800 0.018 0.000 1.555 70 D HN 0.923 nan 8.370 nan 0.000 0.453 71 G N -0.384 108.428 108.800 0.019 0.000 2.352 71 G HA2 0.442 4.401 3.960 -0.001 0.000 0.283 71 G HA3 0.442 4.401 3.960 -0.001 0.000 0.283 71 G C -1.912 172.998 174.900 0.017 0.000 1.308 71 G CA -0.034 45.078 45.100 0.020 0.000 0.892 71 G HN 0.989 nan 8.290 nan 0.000 0.504 72 V N 0.367 120.292 119.914 0.018 0.000 2.752 72 V HA 0.708 4.828 4.120 -0.001 0.000 0.302 72 V C 1.014 177.119 176.094 0.018 0.000 1.133 72 V CA 1.581 63.891 62.300 0.016 0.000 0.919 72 V CB 1.128 32.960 31.823 0.015 0.000 1.026 72 V HN 3.019 nan 8.190 nan 0.000 0.429 73 G N 5.472 114.282 108.800 0.017 0.000 2.591 73 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.298 73 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.298 73 G C 1.097 176.008 174.900 0.019 0.000 1.195 73 G CA 1.087 46.198 45.100 0.018 0.000 0.989 73 G HN 2.169 nan 8.290 nan 0.000 0.551 74 S N 0.571 116.284 115.700 0.021 0.000 2.603 74 S HA 0.317 4.786 4.470 -0.001 0.000 0.220 74 S C 0.353 174.971 174.600 0.029 0.000 0.967 74 S CA 1.299 59.513 58.200 0.024 0.000 0.920 74 S CB 0.352 63.566 63.200 0.023 0.000 0.773 74 S HN 0.566 nan 8.310 nan 0.000 0.529 75 E N 1.731 121.948 120.200 0.029 0.000 2.073 75 E HA 0.555 4.905 4.350 -0.001 0.000 0.269 75 E C -0.782 175.838 176.600 0.034 0.000 0.917 75 E CA -0.203 56.218 56.400 0.034 0.000 0.757 75 E CB 1.413 31.131 29.700 0.029 0.000 1.111 75 E HN 0.430 nan 8.360 nan 0.000 0.410 76 L N 1.427 122.675 121.223 0.042 0.000 2.323 76 L HA 0.614 4.954 4.340 -0.001 0.000 0.265 76 L C 0.271 177.172 176.870 0.052 0.000 1.012 76 L CA -0.962 53.903 54.840 0.041 0.000 0.820 76 L CB 2.181 44.262 42.059 0.037 0.000 1.334 76 L HN 0.376 nan 8.230 nan 0.000 0.427 77 T N -1.168 113.413 114.554 0.045 0.000 2.876 77 T HA 0.774 5.124 4.350 -0.001 0.000 0.289 77 T C -0.776 173.953 174.700 0.048 0.000 1.014 77 T CA -0.741 61.390 62.100 0.052 0.000 0.986 77 T CB 2.021 70.914 68.868 0.040 0.000 1.021 77 T HN 0.214 nan 8.240 nan 0.000 0.458 78 V N 1.897 121.846 119.914 0.059 0.000 2.588 78 V HA 0.870 4.990 4.120 -0.001 0.000 0.304 78 V C -0.083 176.041 176.094 0.051 0.000 1.042 78 V CA -0.484 61.847 62.300 0.052 0.000 0.877 78 V CB 1.700 33.558 31.823 0.057 0.000 0.996 78 V HN 1.191 nan 8.190 nan 0.000 0.425 79 S N 1.983 117.707 115.700 0.040 0.000 2.643 79 S HA 0.905 5.374 4.470 -0.001 0.000 0.270 79 S C -0.127 174.491 174.600 0.031 0.000 1.166 79 S CA 0.684 58.905 58.200 0.036 0.000 0.815 79 S CB 1.627 64.845 63.200 0.030 0.000 1.139 79 S HN 2.206 nan 8.310 nan 0.000 0.472 80 G N 2.039 110.856 108.800 0.028 0.000 2.508 80 G HA2 0.006 3.965 3.960 -0.001 0.000 0.220 80 G HA3 0.006 3.965 3.960 -0.001 0.000 0.220 80 G C -1.496 173.420 174.900 0.027 0.000 1.287 80 G CA -0.428 44.687 45.100 0.024 0.000 0.916 80 G HN 0.789 nan 8.290 nan 0.000 0.574 81 R N -1.086 119.429 120.500 0.025 0.000 2.836 81 R HA 0.611 4.951 4.340 -0.001 0.000 0.269 81 R C -0.405 175.913 176.300 0.029 0.000 1.010 81 R CA -1.051 55.066 56.100 0.028 0.000 0.930 81 R CB 1.143 31.457 30.300 0.024 0.000 1.218 81 R HN 0.570 nan 8.270 nan 0.000 0.473 82 I N 2.683 123.273 120.570 0.035 0.000 2.363 82 I HA 0.071 4.241 4.170 -0.001 0.000 0.292 82 I C 0.338 176.474 176.117 0.031 0.000 1.075 82 I CA 0.615 61.938 61.300 0.037 0.000 1.333 82 I CB 0.291 38.321 38.000 0.050 0.000 1.415 82 I HN 0.487 nan 8.210 nan 0.000 0.502 83 E N 6.439 126.653 120.200 0.024 0.000 3.191 83 E HA 0.232 4.582 4.350 -0.001 0.000 0.303 83 E C -2.586 174.020 176.600 0.010 0.000 1.197 83 E CA -1.336 55.075 56.400 0.018 0.000 0.901 83 E CB 0.542 30.252 29.700 0.015 0.000 1.446 83 E HN 0.287 nan 8.360 nan 0.000 0.385 84 P HA -0.072 nan 4.420 nan 0.000 0.218 84 P C 0.912 178.205 177.300 -0.011 0.000 1.149 84 P CA 1.797 64.894 63.100 -0.005 0.000 0.817 84 P CB 0.125 31.821 31.700 -0.007 0.000 0.785 85 G N -0.009 108.788 108.800 -0.005 0.000 2.804 85 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.230 85 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.230 85 G C -2.568 172.324 174.900 -0.014 0.000 1.386 85 G CA -0.503 44.593 45.100 -0.008 0.000 0.875 85 G HN 0.172 nan 8.290 nan 0.000 0.557 86 P HA 0.381 nan 4.420 nan 0.000 0.271 86 P C 0.936 178.221 177.300 -0.024 0.000 1.220 86 P CA 1.555 64.646 63.100 -0.015 0.000 0.768 86 P CB 0.658 32.351 31.700 -0.011 0.000 0.848 87 G N 2.416 111.199 108.800 -0.027 0.000 2.179 87 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.257 87 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.257 87 G C 0.469 175.334 174.900 -0.058 0.000 1.010 87 G CA 0.036 45.113 45.100 -0.038 0.000 0.736 87 G HN 0.907 nan 8.290 nan 0.000 0.513 88 A N -0.259 122.523 122.820 -0.064 0.000 2.567 88 A HA 0.546 4.866 4.320 -0.001 0.000 0.240 88 A C 0.810 178.305 177.584 -0.149 0.000 1.053 88 A CA 1.245 53.224 52.037 -0.097 0.000 0.755 88 A CB 0.175 19.121 19.000 -0.089 0.000 0.978 88 A HN 1.006 nan 8.150 nan 0.000 0.507 89 R N 2.375 122.768 120.500 -0.179 0.000 2.538 89 R HA 0.540 4.879 4.340 -0.001 0.000 0.292 89 R C -1.981 174.148 176.300 -0.285 0.000 1.008 89 R CA -0.467 55.490 56.100 -0.238 0.000 0.896 89 R CB 1.835 32.039 30.300 -0.160 0.000 1.187 89 R HN 0.501 nan 8.270 nan 0.000 0.440 90 V N 3.702 123.343 119.914 -0.456 0.000 2.370 90 V HA 0.166 4.285 4.120 -0.001 0.000 0.283 90 V C -0.326 175.608 176.094 -0.266 0.000 1.023 90 V CA -0.654 61.395 62.300 -0.417 0.000 0.857 90 V CB 1.494 32.860 31.823 -0.762 0.000 0.985 90 V HN 0.720 nan 8.190 nan 0.000 0.443 91 D N 3.170 123.485 120.400 -0.141 0.000 2.308 91 D HA 0.242 4.882 4.640 -0.001 0.000 0.251 91 D C 0.526 176.812 176.300 -0.024 0.000 1.127 91 D CA 0.004 53.959 54.000 -0.074 0.000 0.876 91 D CB 1.422 42.189 40.800 -0.056 0.000 1.176 91 D HN 0.539 nan 8.370 nan 0.000 0.446 92 C N 2.681 121.986 119.300 0.009 0.000 2.393 92 C HA 0.566 5.025 4.460 -0.001 0.000 0.332 92 C C 1.720 176.722 174.990 0.020 0.000 1.423 92 C CA 0.365 59.412 59.018 0.048 0.000 2.097 92 C CB -1.094 26.706 27.740 0.100 0.000 2.274 92 C HN 0.892 nan 8.230 nan 0.000 0.570 93 G N 1.722 110.530 108.800 0.013 0.000 2.627 93 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.312 93 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.312 93 G C 0.339 175.238 174.900 -0.001 0.000 1.299 93 G CA 0.794 45.895 45.100 0.002 0.000 0.989 93 G HN 0.337 nan 8.290 nan 0.000 0.547 94 L N 1.798 123.016 121.223 -0.010 0.000 2.456 94 L HA 0.365 4.705 4.340 -0.001 0.000 0.224 94 L C 2.612 179.467 176.870 -0.024 0.000 1.148 94 L CA 1.681 56.512 54.840 -0.016 0.000 0.825 94 L CB -0.704 41.345 42.059 -0.018 0.000 0.937 94 L HN 0.884 nan 8.230 nan 0.000 0.450 95 A N 0.228 123.032 122.820 -0.026 0.000 2.990 95 A HA 0.455 4.775 4.320 -0.001 0.000 0.282 95 A C 1.744 179.297 177.584 -0.050 0.000 1.688 95 A CA 0.312 52.321 52.037 -0.045 0.000 1.391 95 A CB -0.893 18.080 19.000 -0.044 0.000 1.112 95 A HN 0.343 nan 8.150 nan 0.000 0.588 96 G N 0.768 109.534 108.800 -0.056 0.000 2.564 96 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.216 96 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.216 96 G C 1.180 176.016 174.900 -0.108 0.000 1.124 96 G CA 1.551 46.618 45.100 -0.055 0.000 0.764 96 G HN 0.538 nan 8.290 nan 0.000 0.550 97 T N 0.352 114.795 114.554 -0.185 0.000 2.851 97 T HA -0.054 4.296 4.350 -0.001 0.000 0.262 97 T C 2.560 177.082 174.700 -0.296 0.000 1.043 97 T CA 0.870 62.729 62.100 -0.401 0.000 1.140 97 T CB -0.091 68.488 68.868 -0.481 0.000 0.872 97 T HN 0.086 nan 8.240 nan 0.000 0.446 98 V N 1.592 121.444 119.914 -0.104 0.000 2.332 98 V HA -0.121 3.999 4.120 -0.001 0.000 0.248 98 V C 2.417 178.592 176.094 0.136 0.000 1.055 98 V CA 1.354 63.683 62.300 0.048 0.000 1.038 98 V CB -0.618 31.258 31.823 0.088 0.000 0.651 98 V HN 0.372 nan 8.190 nan 0.000 0.450 99 L N -0.619 120.668 121.223 0.107 0.000 2.079 99 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 99 L C 2.680 179.615 176.870 0.109 0.000 1.081 99 L CA 1.800 56.720 54.840 0.133 0.000 0.752 99 L CB -0.154 41.970 42.059 0.108 0.000 0.896 99 L HN 0.232 nan 8.230 nan 0.000 0.433 100 R N -2.247 118.324 120.500 0.119 0.000 2.173 100 R HA 0.017 4.356 4.340 -0.001 0.000 0.208 100 R C 1.635 178.211 176.300 0.459 0.000 1.035 100 R CA 0.701 56.973 56.100 0.287 0.000 1.004 100 R CB 0.052 30.525 30.300 0.288 0.000 0.917 100 R HN 0.195 nan 8.270 nan 0.000 0.462 101 F N -1.178 118.827 119.950 0.092 0.000 2.678 101 F HA 0.154 4.681 4.527 -0.001 0.000 0.291 101 F C 1.803 177.654 175.800 0.086 0.000 1.123 101 F CA -0.068 57.971 58.000 0.064 0.000 1.395 101 F CB 0.063 39.085 39.000 0.037 0.000 1.121 101 F HN -0.263 nan 8.300 nan 0.000 0.592 102 V N 0.382 120.480 119.914 0.306 0.000 2.825 102 V HA 0.001 4.121 4.120 -0.001 0.000 0.246 102 V C -0.622 175.635 176.094 0.273 0.000 1.068 102 V CA 0.789 63.271 62.300 0.304 0.000 1.088 102 V CB -1.331 30.725 31.823 0.389 0.000 0.733 102 V HN 0.040 nan 8.190 nan 0.000 0.468 103 P HA -0.130 nan 4.420 nan 0.000 0.216 103 P C -1.411 175.954 177.300 0.109 0.000 1.157 103 P CA 1.979 65.052 63.100 -0.046 0.000 0.880 103 P CB -1.246 30.318 31.700 -0.228 0.000 0.791 104 P HA -0.145 nan 4.420 nan 0.000 0.216 104 P C 1.511 178.908 177.300 0.162 0.000 1.150 104 P CA 1.271 64.457 63.100 0.143 0.000 0.843 104 P CB -0.550 31.277 31.700 0.212 0.000 0.787 105 L N -1.158 120.166 121.223 0.168 0.000 2.056 105 L HA -0.141 4.199 4.340 -0.001 0.000 0.207 105 L C 2.504 179.469 176.870 0.158 0.000 1.078 105 L CA 1.516 56.447 54.840 0.152 0.000 0.749 105 L CB -1.274 40.872 42.059 0.144 0.000 0.901 105 L HN -0.052 nan 8.230 nan 0.000 0.433 106 A N 0.243 123.192 122.820 0.215 0.000 1.978 106 A HA -0.170 4.149 4.320 -0.001 0.000 0.220 106 A C 2.485 180.162 177.584 0.154 0.000 1.170 106 A CA 1.664 53.830 52.037 0.215 0.000 0.636 106 A CB -0.621 18.608 19.000 0.382 0.000 0.810 106 A HN 0.408 nan 8.150 nan 0.000 0.448 107 A N -0.468 122.433 122.820 0.134 0.000 2.121 107 A HA 0.077 4.397 4.320 -0.001 0.000 0.218 107 A C 1.950 179.576 177.584 0.071 0.000 1.154 107 A CA 1.166 53.254 52.037 0.085 0.000 0.679 107 A CB -0.494 18.532 19.000 0.043 0.000 0.795 107 A HN 0.495 nan 8.150 nan 0.000 0.458 108 L N -0.787 120.488 121.223 0.087 0.000 2.395 108 L HA 0.070 4.409 4.340 -0.001 0.000 0.218 108 L C 1.777 178.685 176.870 0.063 0.000 1.130 108 L CA 0.077 54.963 54.840 0.076 0.000 0.826 108 L CB -0.642 41.469 42.059 0.087 0.000 0.941 108 L HN 0.448 nan 8.230 nan 0.000 0.451 109 G N -0.517 108.322 108.800 0.065 0.000 2.563 109 G HA2 0.214 4.173 3.960 -0.001 0.000 0.283 109 G HA3 0.214 4.173 3.960 -0.001 0.000 0.283 109 G C 0.626 175.553 174.900 0.045 0.000 1.309 109 G CA 0.275 45.406 45.100 0.052 0.000 1.022 109 G HN 0.214 nan 8.290 nan 0.000 0.501 110 S N -1.985 113.737 115.700 0.036 0.000 2.663 110 S HA 0.389 4.858 4.470 -0.001 0.000 0.243 110 S C 0.257 174.874 174.600 0.028 0.000 1.009 110 S CA 0.218 58.437 58.200 0.031 0.000 0.988 110 S CB -0.355 62.860 63.200 0.025 0.000 0.896 110 S HN 1.273 nan 8.310 nan 0.000 0.502 111 V N -2.747 117.186 119.914 0.031 0.000 3.074 111 V HA 0.809 4.929 4.120 -0.001 0.000 0.314 111 V C -3.350 172.766 176.094 0.036 0.000 1.117 111 V CA -3.004 59.311 62.300 0.026 0.000 1.014 111 V CB 1.088 32.920 31.823 0.015 0.000 1.057 111 V HN -0.031 nan 8.190 nan 0.000 0.438 112 P HA 0.453 nan 4.420 nan 0.000 0.276 112 P C -0.949 176.364 177.300 0.021 0.000 1.230 112 P CA -0.111 63.013 63.100 0.041 0.000 0.776 112 P CB 1.101 32.820 31.700 0.032 0.000 0.888 113 V N 3.308 123.247 119.914 0.042 0.000 2.483 113 V HA 0.301 4.420 4.120 -0.001 0.000 0.297 113 V C 0.152 176.221 176.094 -0.042 0.000 1.027 113 V CA -0.396 61.881 62.300 -0.039 0.000 0.855 113 V CB 1.886 33.690 31.823 -0.032 0.000 0.995 113 V HN 0.442 nan 8.190 nan 0.000 0.424 114 T N 5.663 120.115 114.554 -0.171 0.000 2.806 114 T HA 0.599 4.948 4.350 -0.001 0.000 0.290 114 T C -0.610 173.821 174.700 -0.448 0.000 0.966 114 T CA 0.162 62.152 62.100 -0.184 0.000 1.060 114 T CB 0.234 69.022 68.868 -0.134 0.000 0.927 114 T HN 0.311 nan 8.240 nan 0.000 0.485 115 F N 2.714 122.370 119.950 -0.490 0.000 2.427 115 F HA 0.529 5.056 4.527 -0.001 0.000 0.346 115 F C 0.554 176.052 175.800 -0.504 0.000 1.120 115 F CA -0.819 56.811 58.000 -0.616 0.000 1.033 115 F CB 1.459 39.720 39.000 -1.231 0.000 1.126 115 F HN 0.424 nan 8.300 nan 0.000 0.462 116 D N 0.917 121.223 120.400 -0.158 0.000 2.570 116 D HA 0.780 5.420 4.640 -0.001 0.000 0.244 116 D C -0.542 175.736 176.300 -0.036 0.000 1.178 116 D CA -0.325 53.623 54.000 -0.088 0.000 0.881 116 D CB 2.509 43.260 40.800 -0.082 0.000 1.453 116 D HN 0.732 nan 8.370 nan 0.000 0.447 117 G N 0.364 109.157 108.800 -0.012 0.000 2.441 117 G HA2 0.440 4.400 3.960 -0.001 0.000 0.294 117 G HA3 0.440 4.400 3.960 -0.001 0.000 0.294 117 G C -1.434 173.469 174.900 0.005 0.000 1.393 117 G CA -0.711 44.389 45.100 0.000 0.000 0.796 117 G HN 0.488 nan 8.290 nan 0.000 0.494 121 A N 0.611 123.429 122.820 -0.003 0.000 1.940 121 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 121 A C 1.348 178.928 177.584 -0.006 0.000 1.176 121 A CA 1.760 53.795 52.037 -0.004 0.000 0.631 121 A CB -0.371 18.626 19.000 -0.004 0.000 0.814 121 A HN 0.580 nan 8.150 nan 0.000 0.446 122 R N -0.231 120.265 120.500 -0.006 0.000 2.313 122 R HA 0.144 4.484 4.340 -0.001 0.000 0.199 122 R C 0.980 177.275 176.300 -0.009 0.000 0.958 122 R CA 0.230 56.326 56.100 -0.007 0.000 1.047 122 R CB -0.131 30.164 30.300 -0.007 0.000 0.955 122 R HN 0.422 nan 8.270 nan 0.000 0.481 123 G N 1.000 109.795 108.800 -0.009 0.000 2.502 123 G HA2 0.199 4.159 3.960 -0.001 0.000 0.305 123 G HA3 0.199 4.159 3.960 -0.001 0.000 0.305 123 G C -0.800 174.091 174.900 -0.015 0.000 1.190 123 G CA -0.754 44.339 45.100 -0.011 0.000 0.933 123 G HN 0.111 nan 8.290 nan 0.000 0.503 124 R N 0.757 121.246 120.500 -0.019 0.000 2.484 124 R HA 0.192 4.532 4.340 -0.001 0.000 0.293 124 R C -1.925 174.353 176.300 -0.036 0.000 1.023 124 R CA -0.850 55.233 56.100 -0.028 0.000 1.037 124 R CB 0.086 30.367 30.300 -0.033 0.000 0.951 124 R HN 0.225 nan 8.270 nan 0.000 0.418 125 P HA 0.035 nan 4.420 nan 0.000 0.271 125 P C 0.132 177.384 177.300 -0.081 0.000 1.216 125 P CA -0.007 63.063 63.100 -0.050 0.000 0.776 125 P CB 0.494 32.165 31.700 -0.048 0.000 0.881 126 I N -1.587 118.929 120.570 -0.091 0.000 4.018 126 I HA 0.304 4.473 4.170 -0.001 0.000 0.337 126 I C 1.574 177.574 176.117 -0.196 0.000 1.327 126 I CA -0.037 61.168 61.300 -0.157 0.000 1.100 126 I CB -0.139 37.774 38.000 -0.145 0.000 1.025 126 I HN 0.160 nan 8.210 nan 0.000 0.396 127 A N 2.633 125.371 122.820 -0.137 0.000 1.917 127 A HA -0.033 4.286 4.320 -0.001 0.000 0.219 127 A C 0.176 177.662 177.584 -0.163 0.000 1.182 127 A CA 1.883 53.838 52.037 -0.137 0.000 0.633 127 A CB -1.897 17.051 19.000 -0.086 0.000 0.819 127 A HN 0.413 nan 8.150 nan 0.000 0.448 128 P HA -0.119 nan 4.420 nan 0.000 0.218 128 P C 1.711 178.870 177.300 -0.236 0.000 1.149 128 P CA 0.727 63.736 63.100 -0.152 0.000 0.817 128 P CB -0.118 31.511 31.700 -0.118 0.000 0.785 129 L N -0.911 120.076 121.223 -0.393 0.000 2.012 129 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 129 L C 2.183 178.761 176.870 -0.487 0.000 1.073 129 L CA 1.682 56.093 54.840 -0.716 0.000 0.748 129 L CB -0.725 40.851 42.059 -0.806 0.000 0.891 129 L HN -0.113 nan 8.230 nan 0.000 0.431 130 L N -0.315 120.666 121.223 -0.402 0.000 2.083 130 L HA -0.245 4.095 4.340 -0.001 0.000 0.209 130 L C 2.238 178.990 176.870 -0.195 0.000 1.083 130 L CA 1.567 56.199 54.840 -0.346 0.000 0.752 130 L CB -0.766 41.064 42.059 -0.381 0.000 0.899 130 L HN 0.389 nan 8.230 nan 0.000 0.433 131 D N 0.176 120.485 120.400 -0.152 0.000 2.117 131 D HA -0.185 4.455 4.640 -0.001 0.000 0.197 131 D C 2.157 178.431 176.300 -0.043 0.000 0.987 131 D CA 1.368 55.317 54.000 -0.084 0.000 0.829 131 D CB 0.161 40.920 40.800 -0.069 0.000 0.961 131 D HN 0.254 nan 8.370 nan 0.000 0.460 132 A N 0.057 122.867 122.820 -0.017 0.000 1.898 132 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 132 A C 2.403 180.047 177.584 0.099 0.000 1.181 132 A CA 0.919 53.014 52.037 0.096 0.000 0.620 132 A CB -0.804 18.366 19.000 0.283 0.000 0.819 132 A HN 0.357 nan 8.150 nan 0.000 0.442 133 L N -0.995 120.280 121.223 0.087 0.000 2.042 133 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 133 L C 2.892 179.736 176.870 -0.043 0.000 1.076 133 L CA 1.617 56.471 54.840 0.024 0.000 0.749 133 L CB -0.514 41.524 42.059 -0.035 0.000 0.893 133 L HN 0.381 nan 8.230 nan 0.000 0.432 134 R N -0.171 120.299 120.500 -0.050 0.000 2.096 134 R HA -0.213 4.126 4.340 -0.001 0.000 0.235 134 R C 2.211 178.487 176.300 -0.040 0.000 1.127 134 R CA 1.554 57.625 56.100 -0.048 0.000 0.968 134 R CB -0.255 30.017 30.300 -0.047 0.000 0.861 134 R HN 0.429 nan 8.270 nan 0.000 0.440 135 E N 0.995 121.180 120.200 -0.026 0.000 2.110 135 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 135 E C 1.550 178.130 176.600 -0.034 0.000 0.988 135 E CA 0.890 57.279 56.400 -0.018 0.000 0.804 135 E CB 0.046 29.748 29.700 0.003 0.000 0.745 135 E HN 0.289 nan 8.360 nan 0.000 0.458 136 L N -0.710 120.479 121.223 -0.057 0.000 2.599 136 L HA 0.178 4.518 4.340 -0.001 0.000 0.230 136 L C 1.335 178.107 176.870 -0.163 0.000 1.141 136 L CA 0.520 55.291 54.840 -0.116 0.000 0.877 136 L CB 0.352 42.304 42.059 -0.177 0.000 1.009 136 L HN 0.474 nan 8.230 nan 0.000 0.447 137 G N -0.540 108.192 108.800 -0.113 0.000 2.168 137 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.197 137 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.197 137 G C 0.109 174.951 174.900 -0.097 0.000 0.997 137 G CA -0.242 44.796 45.100 -0.103 0.000 0.658 137 G HN 0.031 nan 8.290 nan 0.000 0.513 138 V N 1.371 121.226 119.914 -0.099 0.000 2.530 138 V HA 0.594 4.713 4.120 -0.001 0.000 0.282 138 V C 1.093 177.168 176.094 -0.032 0.000 1.048 138 V CA 0.246 62.506 62.300 -0.066 0.000 0.997 138 V CB 1.471 33.256 31.823 -0.064 0.000 0.987 138 V HN 1.115 nan 8.190 nan 0.000 0.477 139 A N 5.498 128.314 122.820 -0.006 0.000 2.807 139 A HA 0.546 4.866 4.320 -0.001 0.000 0.307 139 A C -0.300 177.306 177.584 0.036 0.000 1.532 139 A CA -0.093 51.951 52.037 0.011 0.000 1.215 139 A CB 0.045 19.056 19.000 0.019 0.000 1.127 139 A HN 0.861 nan 8.150 nan 0.000 0.543 140 V N 2.590 122.517 119.914 0.022 0.000 2.638 140 V HA 0.576 4.696 4.120 -0.001 0.000 0.306 140 V C -1.547 174.564 176.094 0.029 0.000 1.052 140 V CA -0.715 61.616 62.300 0.051 0.000 0.885 140 V CB 2.194 34.025 31.823 0.012 0.000 0.999 140 V HN 0.804 nan 8.190 nan 0.000 0.424 141 D N 4.218 124.662 120.400 0.074 0.000 2.481 141 D HA 0.896 5.536 4.640 -0.001 0.000 0.244 141 D C 0.014 176.370 176.300 0.094 0.000 1.057 141 D CA 0.436 54.468 54.000 0.054 0.000 0.848 141 D CB 1.901 42.731 40.800 0.051 0.000 1.388 141 D HN 1.147 nan 8.370 nan 0.000 0.475 142 G N -0.438 108.391 108.800 0.047 0.000 2.333 142 G HA2 0.254 4.213 3.960 -0.001 0.000 0.330 142 G HA3 0.254 4.213 3.960 -0.001 0.000 0.330 142 G C 0.078 174.970 174.900 -0.014 0.000 1.465 142 G CA -0.304 44.828 45.100 0.054 0.000 0.996 142 G HN 0.486 nan 8.290 nan 0.000 0.655 143 T N -2.236 112.315 114.554 -0.005 0.000 3.044 143 T HA 0.636 4.986 4.350 -0.001 0.000 0.260 143 T C 1.097 175.781 174.700 -0.027 0.000 1.019 143 T CA 1.121 63.199 62.100 -0.036 0.000 0.921 143 T CB 0.788 69.642 68.868 -0.024 0.000 1.053 143 T HN 2.142 nan 8.240 nan 0.000 0.533 144 G N 0.837 109.654 108.800 0.029 0.000 2.500 144 G HA2 0.532 4.492 3.960 -0.001 0.000 0.299 144 G HA3 0.532 4.492 3.960 -0.001 0.000 0.299 144 G C -1.907 173.121 174.900 0.214 0.000 1.242 144 G CA -1.114 44.031 45.100 0.074 0.000 0.859 144 G HN 0.298 nan 8.290 nan 0.000 0.481 145 L N 2.535 123.868 121.223 0.183 0.000 2.326 145 L HA 0.428 4.768 4.340 -0.001 0.000 0.278 145 L C -1.482 175.443 176.870 0.091 0.000 1.092 145 L CA -1.416 53.527 54.840 0.171 0.000 0.810 145 L CB 1.298 43.424 42.059 0.112 0.000 1.153 145 L HN 0.379 nan 8.230 nan 0.000 0.439 146 P HA 0.317 nan 4.420 nan 0.000 0.277 146 P C -1.213 176.166 177.300 0.131 0.000 1.240 146 P CA -0.265 62.855 63.100 0.034 0.000 0.798 146 P CB 0.979 32.673 31.700 -0.010 0.000 0.979 147 F N -1.100 118.908 119.950 0.096 0.000 2.603 147 F HA 0.752 5.279 4.527 -0.001 0.000 0.317 147 F C -0.394 175.499 175.800 0.155 0.000 1.066 147 F CA -1.531 56.520 58.000 0.085 0.000 0.941 147 F CB 1.913 40.934 39.000 0.035 0.000 1.291 147 F HN 0.197 nan 8.300 nan 0.000 0.472 148 R N 2.120 122.814 120.500 0.323 0.000 2.451 148 R HA 0.672 5.011 4.340 -0.001 0.000 0.307 148 R C -2.047 174.426 176.300 0.288 0.000 0.965 148 R CA -0.747 55.491 56.100 0.230 0.000 0.865 148 R CB 1.981 32.354 30.300 0.122 0.000 1.174 148 R HN 0.779 nan 8.270 nan 0.000 0.455 149 V N 5.495 125.609 119.914 0.334 0.000 2.406 149 V HA 0.332 4.451 4.120 -0.001 0.000 0.272 149 V C 0.340 176.535 176.094 0.167 0.000 1.043 149 V CA -0.380 62.076 62.300 0.260 0.000 0.915 149 V CB 1.244 33.263 31.823 0.326 0.000 0.988 149 V HN 0.663 nan 8.190 nan 0.000 0.466 150 R N 3.897 124.465 120.500 0.112 0.000 2.230 150 R HA 0.395 4.735 4.340 -0.001 0.000 0.337 150 R C 0.670 177.009 176.300 0.065 0.000 1.063 150 R CA -0.256 55.890 56.100 0.077 0.000 0.935 150 R CB 1.109 31.443 30.300 0.056 0.000 1.121 150 R HN 0.887 nan 8.270 nan 0.000 0.486 151 G N 2.018 110.859 108.800 0.068 0.000 2.365 151 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.249 151 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.249 151 G C 0.377 175.302 174.900 0.041 0.000 1.288 151 G CA -0.413 44.723 45.100 0.059 0.000 0.887 151 G HN 0.752 nan 8.290 nan 0.000 0.524 152 N N 0.715 119.435 118.700 0.033 0.000 2.536 152 N HA 0.257 4.996 4.740 -0.001 0.000 0.286 152 N C 1.090 176.615 175.510 0.025 0.000 1.577 152 N CA 0.100 53.165 53.050 0.025 0.000 0.883 152 N CB 0.503 39.001 38.487 0.019 0.000 1.390 152 N HN 1.136 nan 8.380 nan 0.000 0.491 153 G N -0.264 108.555 108.800 0.032 0.000 2.205 153 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.261 153 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.261 153 G C -0.057 174.866 174.900 0.037 0.000 0.980 153 G CA 0.567 45.688 45.100 0.034 0.000 0.632 153 G HN 1.382 nan 8.290 nan 0.000 0.533 154 S N -1.497 114.221 115.700 0.030 0.000 2.565 154 S HA 0.756 5.226 4.470 -0.001 0.000 0.269 154 S C -1.202 173.394 174.600 -0.005 0.000 1.153 154 S CA -0.521 57.696 58.200 0.028 0.000 0.835 154 S CB 2.575 65.790 63.200 0.024 0.000 1.122 154 S HN 1.257 nan 8.310 nan 0.000 0.462 155 L N 1.931 123.135 121.223 -0.030 0.000 2.376 155 L HA 0.765 5.105 4.340 -0.001 0.000 0.275 155 L C 1.052 177.823 176.870 -0.165 0.000 0.987 155 L CA -0.493 54.245 54.840 -0.171 0.000 0.828 155 L CB 1.695 43.545 42.059 -0.349 0.000 1.249 155 L HN 1.088 nan 8.230 nan 0.000 0.409 156 A N 3.607 126.342 122.820 -0.143 0.000 1.877 156 A HA 0.346 4.666 4.320 -0.001 0.000 0.216 156 A C 1.274 178.826 177.584 -0.053 0.000 1.186 156 A CA 1.452 53.447 52.037 -0.070 0.000 0.620 156 A CB -0.958 18.011 19.000 -0.051 0.000 0.822 156 A HN 1.336 nan 8.150 nan 0.000 0.443 157 G N -2.761 105.930 108.800 -0.181 0.000 2.584 157 G HA2 0.387 4.347 3.960 -0.001 0.000 0.229 157 G HA3 0.387 4.347 3.960 -0.001 0.000 0.229 157 G C 0.912 175.825 174.900 0.021 0.000 1.320 157 G CA 0.394 45.463 45.100 -0.052 0.000 0.891 157 G HN 2.534 nan 8.290 nan 0.000 0.573 158 G N -3.284 105.572 108.800 0.094 0.000 2.255 158 G HA2 0.519 4.478 3.960 -0.001 0.000 0.216 158 G HA3 0.519 4.478 3.960 -0.001 0.000 0.216 158 G C -0.344 174.600 174.900 0.074 0.000 1.307 158 G CA 0.599 45.737 45.100 0.063 0.000 1.162 158 G HN 2.016 nan 8.290 nan 0.000 0.494 159 T N 0.830 115.417 114.554 0.054 0.000 2.807 159 T HA 0.686 5.036 4.350 -0.001 0.000 0.279 159 T C -0.052 174.681 174.700 0.055 0.000 0.993 159 T CA 0.244 62.380 62.100 0.059 0.000 0.970 159 T CB 1.350 70.246 68.868 0.046 0.000 0.950 159 T HN 1.742 nan 8.240 nan 0.000 0.441 160 V N 0.108 120.062 119.914 0.068 0.000 2.789 160 V HA 1.008 5.127 4.120 -0.001 0.000 0.311 160 V C -0.454 175.690 176.094 0.084 0.000 1.073 160 V CA -1.454 60.887 62.300 0.068 0.000 0.921 160 V CB 1.538 33.403 31.823 0.071 0.000 1.009 160 V HN 1.017 nan 8.190 nan 0.000 0.426 161 A N 4.514 127.379 122.820 0.075 0.000 2.304 161 A HA 0.959 5.278 4.320 -0.001 0.000 0.323 161 A C -0.712 176.928 177.584 0.093 0.000 1.195 161 A CA -0.620 51.464 52.037 0.080 0.000 0.826 161 A CB 0.880 19.908 19.000 0.046 0.000 1.184 161 A HN 1.577 nan 8.150 nan 0.000 0.496 162 I N 0.971 121.615 120.570 0.123 0.000 2.908 162 I HA 0.305 4.474 4.170 -0.001 0.000 0.300 162 I C -1.576 174.651 176.117 0.185 0.000 1.385 162 I CA -0.629 60.755 61.300 0.140 0.000 1.004 162 I CB 2.180 40.282 38.000 0.170 0.000 1.309 162 I HN 0.624 nan 8.210 nan 0.000 0.449 163 D N 5.135 125.634 120.400 0.164 0.000 2.359 163 D HA 0.312 4.952 4.640 -0.001 0.000 0.250 163 D C 0.709 177.181 176.300 0.288 0.000 1.264 163 D CA 0.342 54.491 54.000 0.248 0.000 0.911 163 D CB 1.653 42.542 40.800 0.148 0.000 1.056 163 D HN 0.625 nan 8.370 nan 0.000 0.499 164 A N 3.177 126.247 122.820 0.416 0.000 2.119 164 A HA -0.084 4.236 4.320 -0.001 0.000 0.217 164 A C 2.101 179.675 177.584 -0.016 0.000 1.153 164 A CA 0.997 53.091 52.037 0.096 0.000 0.692 164 A CB -0.069 18.939 19.000 0.013 0.000 0.799 164 A HN 0.518 nan 8.150 nan 0.000 0.458 165 S N -0.371 115.343 115.700 0.023 0.000 2.362 165 S HA 0.102 4.571 4.470 -0.001 0.000 0.221 165 S C 2.145 176.757 174.600 0.020 0.000 1.032 165 S CA 1.203 59.405 58.200 0.002 0.000 0.973 165 S CB -0.332 62.891 63.200 0.038 0.000 0.849 165 S HN 0.727 nan 8.310 nan 0.000 0.465 166 A N 0.190 123.046 122.820 0.060 0.000 2.014 166 A HA 0.190 4.509 4.320 -0.001 0.000 0.218 166 A C 1.666 179.265 177.584 0.025 0.000 1.163 166 A CA 1.306 53.365 52.037 0.036 0.000 0.652 166 A CB -0.237 18.791 19.000 0.047 0.000 0.808 166 A HN 0.464 nan 8.150 nan 0.000 0.449 167 S N -0.281 115.450 115.700 0.051 0.000 2.592 167 S HA 0.161 4.630 4.470 -0.001 0.000 0.243 167 S C 1.283 175.925 174.600 0.070 0.000 1.160 167 S CA 0.222 58.470 58.200 0.081 0.000 1.145 167 S CB 0.404 63.695 63.200 0.152 0.000 0.909 167 S HN 0.723 nan 8.310 nan 0.000 0.487 168 S N 1.476 117.170 115.700 -0.010 0.000 2.382 168 S HA -0.221 4.249 4.470 -0.001 0.000 0.228 168 S C 1.786 176.369 174.600 -0.028 0.000 1.027 168 S CA 0.849 59.009 58.200 -0.067 0.000 0.991 168 S CB -0.354 62.775 63.200 -0.118 0.000 0.823 168 S HN 0.573 nan 8.310 nan 0.000 0.469 169 Q N -0.292 119.521 119.800 0.021 0.000 2.119 169 Q HA -0.087 4.253 4.340 -0.001 0.000 0.201 169 Q C 1.906 178.065 176.000 0.266 0.000 0.972 169 Q CA 1.370 57.257 55.803 0.140 0.000 0.847 169 Q CB -0.255 28.524 28.738 0.069 0.000 0.903 169 Q HN 0.617 nan 8.270 nan 0.000 0.433 170 F N 0.202 120.179 119.950 0.044 0.000 2.113 170 F HA -0.165 4.361 4.527 -0.001 0.000 0.297 170 F C 1.869 177.670 175.800 0.001 0.000 1.103 170 F CA 1.092 59.118 58.000 0.043 0.000 1.248 170 F CB -0.520 38.480 39.000 -0.000 0.000 0.999 170 F HN -0.117 nan 8.300 nan 0.000 0.475 171 V N -0.389 119.444 119.914 -0.134 0.000 2.332 171 V HA -0.318 3.802 4.120 -0.001 0.000 0.248 171 V C 2.549 178.440 176.094 -0.338 0.000 1.055 171 V CA 2.143 64.252 62.300 -0.320 0.000 1.038 171 V CB -1.115 30.524 31.823 -0.306 0.000 0.651 171 V HN 0.364 nan 8.190 nan 0.000 0.450 172 S N 0.392 115.955 115.700 -0.229 0.000 2.368 172 S HA -0.125 4.345 4.470 -0.001 0.000 0.225 172 S C 2.103 176.450 174.600 -0.421 0.000 1.030 172 S CA 1.336 59.372 58.200 -0.274 0.000 0.999 172 S CB -0.711 62.421 63.200 -0.114 0.000 0.844 172 S HN 0.704 nan 8.310 nan 0.000 0.459 173 G N 1.723 110.333 108.800 -0.317 0.000 2.440 173 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.218 173 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.218 173 G C 1.323 176.050 174.900 -0.287 0.000 1.154 173 G CA 0.726 45.628 45.100 -0.330 0.000 0.767 173 G HN 0.444 nan 8.290 nan 0.000 0.552 174 L N -0.239 120.782 121.223 -0.337 0.000 2.093 174 L HA 0.054 4.394 4.340 -0.001 0.000 0.208 174 L C 2.870 179.585 176.870 -0.258 0.000 1.085 174 L CA 0.430 55.130 54.840 -0.234 0.000 0.755 174 L CB -0.365 41.493 42.059 -0.334 0.000 0.904 174 L HN 0.173 nan 8.230 nan 0.000 0.435 175 L N -0.606 120.432 121.223 -0.308 0.000 2.141 175 L HA -0.197 4.143 4.340 -0.001 0.000 0.209 175 L C 2.483 179.165 176.870 -0.315 0.000 1.094 175 L CA 0.940 55.602 54.840 -0.297 0.000 0.763 175 L CB -0.368 41.519 42.059 -0.286 0.000 0.908 175 L HN 0.252 nan 8.230 nan 0.000 0.437 176 L N -1.055 119.961 121.223 -0.345 0.000 2.046 176 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 176 L C 2.342 179.052 176.870 -0.268 0.000 1.077 176 L CA 1.182 55.827 54.840 -0.324 0.000 0.747 176 L CB -0.320 41.476 42.059 -0.438 0.000 0.896 176 L HN 0.156 nan 8.230 nan 0.000 0.432 177 S N -0.900 114.634 115.700 -0.276 0.000 2.548 177 S HA 0.162 4.631 4.470 -0.001 0.000 0.215 177 S C 1.985 176.201 174.600 -0.641 0.000 0.976 177 S CA 0.473 58.531 58.200 -0.237 0.000 0.908 177 S CB 0.335 63.548 63.200 0.021 0.000 0.781 177 S HN 0.399 nan 8.310 nan 0.000 0.519 178 A N 1.810 124.050 122.820 -0.966 0.000 1.978 178 A HA 0.024 4.344 4.320 -0.001 0.000 0.220 178 A C 2.282 179.402 177.584 -0.774 0.000 1.170 178 A CA 1.556 52.698 52.037 -1.492 0.000 0.636 178 A CB -0.842 17.683 19.000 -0.791 0.000 0.810 178 A HN 0.519 nan 8.150 nan 0.000 0.448 179 A N 0.200 122.778 122.820 -0.403 0.000 2.076 179 A HA -0.071 4.248 4.320 -0.001 0.000 0.220 179 A C 2.322 179.839 177.584 -0.112 0.000 1.160 179 A CA 2.083 54.007 52.037 -0.189 0.000 0.653 179 A CB -0.705 18.227 19.000 -0.113 0.000 0.801 179 A HN 1.066 nan 8.150 nan 0.000 0.455 180 S N -1.359 114.274 115.700 -0.111 0.000 2.575 180 S HA 0.282 4.751 4.470 -0.001 0.000 0.215 180 S C 0.104 174.846 174.600 0.237 0.000 0.966 180 S CA -0.560 57.676 58.200 0.060 0.000 0.911 180 S CB -0.329 62.928 63.200 0.096 0.000 0.780 180 S HN 0.130 nan 8.310 nan 0.000 0.514 181 F N 2.704 122.651 119.950 -0.005 0.000 2.429 181 F HA 0.392 4.918 4.527 -0.001 0.000 0.348 181 F C 1.937 177.738 175.800 0.002 0.000 1.109 181 F CA -1.364 56.635 58.000 -0.003 0.000 1.232 181 F CB -0.081 38.913 39.000 -0.010 0.000 1.157 181 F HN 0.017 nan 8.300 nan 0.000 0.564 182 T N 0.249 114.915 114.554 0.188 0.000 2.720 182 T HA -0.165 4.184 4.350 -0.001 0.000 0.268 182 T C 0.852 175.607 174.700 0.093 0.000 1.037 182 T CA 1.712 63.874 62.100 0.104 0.000 1.144 182 T CB -0.106 68.799 68.868 0.062 0.000 0.864 182 T HN 0.413 nan 8.240 nan 0.000 0.444 183 D N 0.102 120.568 120.400 0.110 0.000 2.368 183 D HA 0.377 5.016 4.640 -0.001 0.000 0.218 183 D C 1.261 177.622 176.300 0.102 0.000 1.112 183 D CA 0.481 54.533 54.000 0.086 0.000 0.834 183 D CB 0.142 40.985 40.800 0.070 0.000 0.953 183 D HN 0.451 nan 8.370 nan 0.000 0.505 184 G N 0.907 109.790 108.800 0.139 0.000 2.598 184 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.244 184 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.244 184 G C -0.795 174.212 174.900 0.178 0.000 1.302 184 G CA -0.118 45.040 45.100 0.095 0.000 0.903 184 G HN 0.339 nan 8.290 nan 0.000 0.575 185 L N -1.025 120.253 121.223 0.092 0.000 2.513 185 L HA 0.759 5.098 4.340 -0.001 0.000 0.261 185 L C -0.170 176.752 176.870 0.085 0.000 0.945 185 L CA -0.006 54.911 54.840 0.129 0.000 0.848 185 L CB 2.330 44.450 42.059 0.102 0.000 1.334 185 L HN 0.963 nan 8.230 nan 0.000 0.407 186 T N 3.790 118.402 114.554 0.096 0.000 2.786 186 T HA 0.650 4.999 4.350 -0.001 0.000 0.283 186 T C -0.977 173.798 174.700 0.125 0.000 0.992 186 T CA -0.363 61.797 62.100 0.101 0.000 0.954 186 T CB 1.493 70.406 68.868 0.074 0.000 0.934 186 T HN 0.345 nan 8.240 nan 0.000 0.440 187 V N 4.068 124.097 119.914 0.191 0.000 2.370 187 V HA 0.461 4.580 4.120 -0.001 0.000 0.283 187 V C -0.159 176.117 176.094 0.303 0.000 1.023 187 V CA -0.722 61.720 62.300 0.237 0.000 0.857 187 V CB 1.503 33.480 31.823 0.257 0.000 0.985 187 V HN 0.732 nan 8.190 nan 0.000 0.443 188 Q N 3.576 123.505 119.800 0.215 0.000 2.347 188 Q HA 0.321 4.660 4.340 -0.001 0.000 0.262 188 Q C -0.488 175.655 176.000 0.238 0.000 0.980 188 Q CA -0.416 55.492 55.803 0.174 0.000 0.867 188 Q CB 0.723 29.513 28.738 0.085 0.000 1.242 188 Q HN 0.815 nan 8.270 nan 0.000 0.453 189 H N 2.005 121.194 119.070 0.200 0.000 2.848 189 H HA 0.121 4.676 4.556 -0.001 0.000 0.341 189 H C 0.654 176.041 175.328 0.099 0.000 1.060 189 H CA 1.103 57.270 56.048 0.199 0.000 1.444 189 H CB 1.068 30.977 29.762 0.245 0.000 1.446 189 H HN 0.768 nan 8.280 nan 0.000 0.583 190 T N 0.819 115.127 114.554 -0.411 0.000 3.100 190 T HA 0.233 4.583 4.350 -0.001 0.000 0.253 190 T C 1.126 175.584 174.700 -0.405 0.000 1.118 190 T CA 0.047 61.968 62.100 -0.298 0.000 1.058 190 T CB -0.045 68.733 68.868 -0.151 0.000 0.953 190 T HN 0.589 nan 8.240 nan 0.000 0.515 191 G N 1.057 109.342 108.800 -0.857 0.000 2.476 191 G HA2 0.428 4.388 3.960 -0.001 0.000 0.286 191 G HA3 0.428 4.388 3.960 -0.001 0.000 0.286 191 G C 0.826 175.635 174.900 -0.151 0.000 1.177 191 G CA -0.144 44.717 45.100 -0.398 0.000 0.870 191 G HN 0.287 nan 8.290 nan 0.000 0.528 192 S N -1.284 114.400 115.700 -0.026 0.000 2.501 192 S HA 0.181 4.651 4.470 -0.001 0.000 0.220 192 S C 1.125 175.763 174.600 0.064 0.000 0.997 192 S CA 0.560 58.767 58.200 0.012 0.000 0.919 192 S CB -0.107 63.093 63.200 -0.001 0.000 0.778 192 S HN 1.168 nan 8.310 nan 0.000 0.523 193 S N 0.240 116.008 115.700 0.114 0.000 2.569 193 S HA 0.753 5.223 4.470 -0.001 0.000 0.280 193 S C -1.370 173.343 174.600 0.188 0.000 1.111 193 S CA -0.871 57.399 58.200 0.116 0.000 0.887 193 S CB 1.921 65.160 63.200 0.064 0.000 1.095 193 S HN 0.385 nan 8.310 nan 0.000 0.476 194 L N 3.027 124.310 121.223 0.100 0.000 2.563 194 L HA 0.543 4.882 4.340 -0.001 0.000 0.259 194 L C -2.154 174.730 176.870 0.022 0.000 1.034 194 L CA -1.011 53.842 54.840 0.022 0.000 0.899 194 L CB 1.047 43.033 42.059 -0.123 0.000 1.159 194 L HN 0.648 nan 8.230 nan 0.000 0.456 195 P HA 0.015 nan 4.420 nan 0.000 0.215 195 P C -0.208 177.101 177.300 0.014 0.000 1.157 195 P CA 0.749 63.857 63.100 0.014 0.000 0.863 195 P CB 0.252 31.953 31.700 0.003 0.000 0.787 196 S N -1.184 114.525 115.700 0.016 0.000 2.779 196 S HA 0.667 5.137 4.470 -0.001 0.000 0.293 196 S C -0.792 173.833 174.600 0.042 0.000 1.150 196 S CA -0.404 57.812 58.200 0.027 0.000 1.057 196 S CB 0.678 63.889 63.200 0.018 0.000 1.021 196 S HN 0.127 nan 8.310 nan 0.000 0.485 197 A N 6.649 129.507 122.820 0.064 0.000 3.253 197 A HA 0.536 4.855 4.320 -0.001 0.000 0.290 197 A C -1.574 176.066 177.584 0.093 0.000 0.950 197 A CA -1.051 51.031 52.037 0.076 0.000 0.986 197 A CB 0.269 19.324 19.000 0.092 0.000 1.104 197 A HN 0.663 nan 8.150 nan 0.000 0.481 198 P HA -0.213 nan 4.420 nan 0.000 0.216 198 P C 0.838 178.119 177.300 -0.031 0.000 1.150 198 P CA 1.625 64.739 63.100 0.022 0.000 0.843 198 P CB 0.065 31.751 31.700 -0.023 0.000 0.787 199 H N -0.744 118.310 119.070 -0.025 0.000 2.395 199 H HA 0.060 4.615 4.556 -0.001 0.000 0.299 199 H C 2.208 177.488 175.328 -0.081 0.000 1.070 199 H CA 0.932 56.959 56.048 -0.035 0.000 1.356 199 H CB -0.929 28.819 29.762 -0.022 0.000 1.401 199 H HN 0.115 nan 8.280 nan 0.000 0.524 200 I N 0.082 120.655 120.570 0.006 0.000 2.286 200 I HA -0.190 3.979 4.170 -0.001 0.000 0.245 200 I C 2.519 178.584 176.117 -0.088 0.000 1.104 200 I CA 0.905 62.100 61.300 -0.176 0.000 1.397 200 I CB -0.247 37.514 38.000 -0.398 0.000 1.072 200 I HN 0.287 nan 8.210 nan 0.000 0.417 201 A N 0.379 123.207 122.820 0.014 0.000 1.930 201 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 201 A C 2.269 179.858 177.584 0.008 0.000 1.175 201 A CA 1.711 53.780 52.037 0.053 0.000 0.627 201 A CB -0.524 18.515 19.000 0.065 0.000 0.815 201 A HN 0.378 nan 8.150 nan 0.000 0.443 202 M N -0.113 119.470 119.600 -0.028 0.000 2.086 202 M HA -0.094 4.386 4.480 -0.001 0.000 0.261 202 M C 2.029 178.299 176.300 -0.049 0.000 1.067 202 M CA 2.478 57.751 55.300 -0.045 0.000 1.116 202 M CB -0.931 31.618 32.600 -0.084 0.000 1.348 202 M HN 0.342 nan 8.290 nan 0.000 0.407 203 T N 0.725 115.234 114.554 -0.075 0.000 2.652 203 T HA -0.137 4.212 4.350 -0.001 0.000 0.267 203 T C 1.821 176.472 174.700 -0.081 0.000 1.039 203 T CA 1.848 63.878 62.100 -0.116 0.000 1.153 203 T CB -0.836 67.923 68.868 -0.181 0.000 0.863 203 T HN 0.572 nan 8.240 nan 0.000 0.428 204 A N 1.416 124.208 122.820 -0.047 0.000 1.908 204 A HA 0.104 4.424 4.320 -0.001 0.000 0.218 204 A C 2.647 180.248 177.584 0.028 0.000 1.181 204 A CA 1.967 54.011 52.037 0.012 0.000 0.627 204 A CB -1.130 17.928 19.000 0.097 0.000 0.818 204 A HN 0.525 nan 8.150 nan 0.000 0.445 205 A N -0.605 122.232 122.820 0.029 0.000 1.933 205 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 205 A C 2.254 179.879 177.584 0.069 0.000 1.175 205 A CA 1.791 53.853 52.037 0.043 0.000 0.628 205 A CB -0.527 18.493 19.000 0.034 0.000 0.814 205 A HN 0.546 nan 8.150 nan 0.000 0.444 206 M N -0.673 118.965 119.600 0.064 0.000 2.175 206 M HA -0.051 4.428 4.480 -0.001 0.000 0.264 206 M C 2.068 178.478 176.300 0.182 0.000 1.063 206 M CA 1.146 56.533 55.300 0.145 0.000 1.119 206 M CB -0.495 32.107 32.600 0.003 0.000 1.377 206 M HN 0.349 nan 8.290 nan 0.000 0.415 207 L N -0.230 121.032 121.223 0.066 0.000 2.042 207 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 207 L C 2.642 179.556 176.870 0.073 0.000 1.076 207 L CA 1.486 56.359 54.840 0.055 0.000 0.749 207 L CB -0.599 41.454 42.059 -0.010 0.000 0.893 207 L HN 0.296 nan 8.230 nan 0.000 0.432 208 R N -0.407 120.129 120.500 0.061 0.000 2.092 208 R HA -0.161 4.179 4.340 -0.001 0.000 0.231 208 R C 2.261 178.585 176.300 0.039 0.000 1.119 208 R CA 1.155 57.280 56.100 0.042 0.000 0.970 208 R CB -0.308 30.012 30.300 0.034 0.000 0.864 208 R HN 0.504 nan 8.270 nan 0.000 0.440 209 Q N 0.075 119.917 119.800 0.070 0.000 2.234 209 Q HA -0.092 4.247 4.340 -0.001 0.000 0.206 209 Q C 1.707 177.670 176.000 -0.061 0.000 0.980 209 Q CA 1.443 57.251 55.803 0.009 0.000 0.869 209 Q CB -0.010 28.762 28.738 0.057 0.000 0.912 209 Q HN 0.338 nan 8.270 nan 0.000 0.436 210 A N -0.041 122.823 122.820 0.073 0.000 2.251 210 A HA 0.346 4.665 4.320 -0.001 0.000 0.209 210 A C 1.425 179.022 177.584 0.020 0.000 1.187 210 A CA 0.606 52.681 52.037 0.064 0.000 0.823 210 A CB -0.171 18.984 19.000 0.258 0.000 0.846 210 A HN 0.431 nan 8.150 nan 0.000 0.486 211 G N -1.047 107.756 108.800 0.006 0.000 2.153 211 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.252 211 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.252 211 G C 0.219 175.120 174.900 0.002 0.000 0.994 211 G CA 0.254 45.351 45.100 -0.004 0.000 0.698 211 G HN 0.743 nan 8.290 nan 0.000 0.521 212 V N 1.260 121.180 119.914 0.010 0.000 2.614 212 V HA 0.239 4.358 4.120 -0.001 0.000 0.291 212 V C 0.411 176.502 176.094 -0.004 0.000 1.049 212 V CA -0.454 61.844 62.300 -0.004 0.000 1.038 212 V CB 1.320 33.135 31.823 -0.013 0.000 0.980 212 V HN 0.295 nan 8.190 nan 0.000 0.481 213 D N 4.855 125.249 120.400 -0.009 0.000 2.374 213 D HA 0.306 4.946 4.640 -0.001 0.000 0.240 213 D C -0.251 176.048 176.300 -0.003 0.000 1.229 213 D CA 0.344 54.342 54.000 -0.004 0.000 0.895 213 D CB 1.420 42.217 40.800 -0.004 0.000 1.046 213 D HN 0.454 nan 8.370 nan 0.000 0.498 214 I N 1.374 121.949 120.570 0.009 0.000 2.465 214 I HA 0.217 4.386 4.170 -0.001 0.000 0.291 214 I C -1.214 174.922 176.117 0.031 0.000 1.014 214 I CA -0.724 60.591 61.300 0.026 0.000 1.093 214 I CB 2.057 40.080 38.000 0.038 0.000 1.267 214 I HN -0.050 nan 8.210 nan 0.000 0.431 215 D N 6.011 126.431 120.400 0.034 0.000 2.453 215 D HA 0.253 4.893 4.640 -0.001 0.000 0.238 215 D C -0.734 175.567 176.300 0.002 0.000 1.088 215 D CA -0.360 53.647 54.000 0.012 0.000 0.854 215 D CB 1.252 42.051 40.800 -0.002 0.000 1.076 215 D HN 0.609 nan 8.370 nan 0.000 0.533 216 D N 1.066 121.459 120.400 -0.012 0.000 2.593 216 D HA -0.007 4.633 4.640 -0.001 0.000 0.241 216 D C 0.972 177.189 176.300 -0.138 0.000 1.257 216 D CA -0.233 53.706 54.000 -0.102 0.000 0.828 216 D CB -0.098 40.707 40.800 0.009 0.000 1.049 216 D HN 0.157 nan 8.370 nan 0.000 0.490 217 S N -1.121 114.522 115.700 -0.095 0.000 2.481 217 S HA -0.029 4.441 4.470 -0.001 0.000 0.231 217 S C 0.962 175.498 174.600 -0.106 0.000 0.996 217 S CA 0.186 58.338 58.200 -0.080 0.000 0.942 217 S CB -0.568 62.602 63.200 -0.050 0.000 0.768 217 S HN 0.151 nan 8.310 nan 0.000 0.520 218 T N 4.498 118.965 114.554 -0.146 0.000 2.837 218 T HA 0.478 4.827 4.350 -0.001 0.000 0.285 218 T C -2.803 171.763 174.700 -0.225 0.000 0.984 218 T CA -1.390 60.620 62.100 -0.151 0.000 1.049 218 T CB 1.246 70.034 68.868 -0.134 0.000 0.947 218 T HN 0.096 nan 8.240 nan 0.000 0.472 219 P HA 0.134 nan 4.420 nan 0.000 0.264 219 P C 0.226 177.376 177.300 -0.250 0.000 1.193 219 P CA 0.119 63.105 63.100 -0.190 0.000 0.763 219 P CB 0.192 31.832 31.700 -0.100 0.000 0.810 220 N N 0.008 118.484 118.700 -0.373 0.000 2.829 220 N HA -0.203 4.537 4.740 -0.001 0.000 0.250 220 N C -0.023 175.196 175.510 -0.484 0.000 1.090 220 N CA 1.001 53.855 53.050 -0.326 0.000 0.781 220 N CB -1.145 37.343 38.487 0.001 0.000 1.124 220 N HN 0.581 nan 8.380 nan 0.000 0.559 221 R N -0.287 119.701 120.500 -0.853 0.000 2.566 221 R HA 0.425 4.764 4.340 -0.001 0.000 0.271 221 R C -1.659 174.243 176.300 -0.663 0.000 1.071 221 R CA -0.553 55.239 56.100 -0.512 0.000 0.915 221 R CB 1.473 31.631 30.300 -0.237 0.000 1.228 221 R HN 0.084 nan 8.270 nan 0.000 0.449 222 W N 3.679 124.980 121.300 0.002 0.000 2.781 222 W HA 0.336 4.995 4.660 -0.001 0.000 0.333 222 W C -0.774 175.733 176.519 -0.019 0.000 1.047 222 W CA -0.631 56.705 57.345 -0.015 0.000 1.236 222 W CB 2.216 31.659 29.460 -0.028 0.000 1.394 222 W HN 0.479 nan 8.180 nan 0.000 0.466 223 Q N 2.247 122.137 119.800 0.151 0.000 2.330 223 Q HA 0.567 4.906 4.340 -0.001 0.000 0.269 223 Q C -1.748 174.285 176.000 0.055 0.000 1.022 223 Q CA -0.343 55.510 55.803 0.084 0.000 0.796 223 Q CB 2.560 31.322 28.738 0.040 0.000 1.271 223 Q HN 0.323 nan 8.270 nan 0.000 0.450 224 V N 4.487 124.414 119.914 0.021 0.000 2.540 224 V HA 0.539 4.658 4.120 -0.001 0.000 0.302 224 V C -0.303 175.774 176.094 -0.028 0.000 1.035 224 V CA -0.862 61.424 62.300 -0.024 0.000 0.873 224 V CB 1.737 33.504 31.823 -0.093 0.000 0.992 224 V HN 0.761 nan 8.190 nan 0.000 0.428 225 R N 4.258 124.744 120.500 -0.022 0.000 2.457 225 R HA 0.460 4.799 4.340 -0.001 0.000 0.284 225 R C -2.622 173.662 176.300 -0.027 0.000 1.024 225 R CA -2.025 54.067 56.100 -0.014 0.000 1.025 225 R CB 1.196 31.494 30.300 -0.003 0.000 1.063 225 R HN 0.391 nan 8.270 nan 0.000 0.493 226 P HA 0.221 nan 4.420 nan 0.000 0.268 226 P C -0.174 177.121 177.300 -0.009 0.000 1.205 226 P CA 0.054 63.147 63.100 -0.011 0.000 0.771 226 P CB 0.858 32.571 31.700 0.022 0.000 0.858 227 G N 2.345 111.137 108.800 -0.014 0.000 2.322 227 G HA2 0.402 4.361 3.960 -0.001 0.000 0.295 227 G HA3 0.402 4.361 3.960 -0.001 0.000 0.295 227 G C -3.378 171.518 174.900 -0.006 0.000 1.369 227 G CA -0.845 44.251 45.100 -0.006 0.000 0.821 227 G HN 0.362 nan 8.290 nan 0.000 0.536 228 P HA 0.470 nan 4.420 nan 0.000 0.278 228 P C -0.435 176.869 177.300 0.007 0.000 1.238 228 P CA -0.247 62.857 63.100 0.006 0.000 0.794 228 P CB 1.837 33.541 31.700 0.007 0.000 0.955 229 V N 2.540 122.466 119.914 0.019 0.000 2.370 229 V HA 0.399 4.519 4.120 -0.001 0.000 0.279 229 V C 0.858 176.979 176.094 0.046 0.000 1.029 229 V CA -0.749 61.575 62.300 0.040 0.000 0.870 229 V CB 0.795 32.650 31.823 0.054 0.000 0.984 229 V HN 0.745 nan 8.190 nan 0.000 0.451 230 A N 4.413 127.254 122.820 0.035 0.000 2.477 230 A HA 0.666 4.985 4.320 -0.001 0.000 0.246 230 A C 0.713 178.306 177.584 0.015 0.000 1.078 230 A CA 0.175 52.212 52.037 0.001 0.000 0.770 230 A CB 0.275 19.246 19.000 -0.047 0.000 1.011 230 A HN 1.336 nan 8.150 nan 0.000 0.494 231 A N 3.490 126.310 122.820 0.001 0.000 2.450 231 A HA 0.576 4.895 4.320 -0.001 0.000 0.255 231 A C 0.556 178.082 177.584 -0.096 0.000 1.096 231 A CA -0.152 51.890 52.037 0.008 0.000 0.778 231 A CB 0.143 19.150 19.000 0.013 0.000 1.031 231 A HN 0.809 nan 8.150 nan 0.000 0.494 232 R N 0.984 121.378 120.500 -0.176 0.000 2.836 232 R HA 0.411 4.750 4.340 -0.001 0.000 0.269 232 R C -0.659 175.452 176.300 -0.316 0.000 1.010 232 R CA -0.929 54.915 56.100 -0.427 0.000 0.930 232 R CB 1.743 31.367 30.300 -1.126 0.000 1.218 232 R HN 0.832 nan 8.270 nan 0.000 0.473 233 R N 1.211 121.536 120.500 -0.292 0.000 2.205 233 R HA 0.176 4.516 4.340 -0.001 0.000 0.342 233 R C -0.898 175.287 176.300 -0.191 0.000 1.058 233 R CA -0.198 55.816 56.100 -0.145 0.000 0.904 233 R CB 0.400 30.648 30.300 -0.087 0.000 1.089 233 R HN 0.456 nan 8.270 nan 0.000 0.471 234 W N 4.171 125.468 121.300 -0.005 0.000 2.342 234 W HA 0.123 4.783 4.660 -0.001 0.000 0.310 234 W C -0.079 176.435 176.519 -0.008 0.000 1.128 234 W CA -0.572 56.768 57.345 -0.008 0.000 1.322 234 W CB 1.005 30.461 29.460 -0.007 0.000 1.251 234 W HN 0.462 nan 8.180 nan 0.000 0.439 235 D N 4.334 124.853 120.400 0.199 0.000 2.428 235 D HA 0.177 4.816 4.640 -0.001 0.000 0.221 235 D C -0.336 176.031 176.300 0.112 0.000 1.123 235 D CA -0.342 53.727 54.000 0.116 0.000 0.869 235 D CB 0.517 41.352 40.800 0.058 0.000 1.032 235 D HN 0.041 nan 8.370 nan 0.000 0.506 236 I N 3.129 123.754 120.570 0.092 0.000 2.496 236 I HA 0.091 4.261 4.170 -0.001 0.000 0.285 236 I C 1.017 177.131 176.117 -0.006 0.000 1.080 236 I CA -0.249 61.079 61.300 0.047 0.000 1.404 236 I CB 0.503 38.520 38.000 0.030 0.000 1.403 236 I HN 0.368 nan 8.210 nan 0.000 0.539 237 E N 7.456 127.625 120.200 -0.052 0.000 2.373 237 E HA 0.168 4.517 4.350 -0.001 0.000 0.267 237 E C -2.190 174.330 176.600 -0.134 0.000 1.032 237 E CA -1.491 54.820 56.400 -0.148 0.000 0.889 237 E CB 0.226 29.797 29.700 -0.216 0.000 0.984 237 E HN 0.327 nan 8.360 nan 0.000 0.425 238 P HA -0.108 nan 4.420 nan 0.000 0.266 238 P C -0.722 176.527 177.300 -0.085 0.000 1.193 238 P CA 0.196 63.251 63.100 -0.076 0.000 0.770 238 P CB 0.410 32.095 31.700 -0.025 0.000 0.836 239 D N 1.956 122.357 120.400 0.000 0.000 2.390 239 D HA -0.007 4.632 4.640 -0.001 0.000 0.249 239 D C 1.055 177.387 176.300 0.054 0.000 1.144 239 D CA -0.263 53.745 54.000 0.013 0.000 0.880 239 D CB 0.373 41.203 40.800 0.051 0.000 1.182 239 D HN 0.103 nan 8.370 nan 0.000 0.451 240 L N 3.715 124.953 121.223 0.024 0.000 2.042 240 L HA -0.138 4.201 4.340 -0.001 0.000 0.210 240 L C 2.027 178.979 176.870 0.137 0.000 1.076 240 L CA 1.916 56.805 54.840 0.081 0.000 0.749 240 L CB -0.885 41.204 42.059 0.050 0.000 0.893 240 L HN 0.663 nan 8.230 nan 0.000 0.432 241 T N 0.079 114.699 114.554 0.110 0.000 2.635 241 T HA -0.183 4.166 4.350 -0.001 0.000 0.267 241 T C 1.702 176.499 174.700 0.161 0.000 1.040 241 T CA 1.797 63.964 62.100 0.112 0.000 1.156 241 T CB -0.389 68.531 68.868 0.087 0.000 0.863 241 T HN 0.382 nan 8.240 nan 0.000 0.430 242 N N 1.299 120.134 118.700 0.225 0.000 2.188 242 N HA 0.061 4.800 4.740 -0.001 0.000 0.184 242 N C 2.148 177.944 175.510 0.477 0.000 1.018 242 N CA 1.181 54.442 53.050 0.352 0.000 0.858 242 N CB -0.656 38.057 38.487 0.377 0.000 0.989 242 N HN 0.429 nan 8.380 nan 0.000 0.426 243 A N 0.831 123.880 122.820 0.381 0.000 1.908 243 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 243 A C 2.442 180.273 177.584 0.412 0.000 1.181 243 A CA 1.347 53.646 52.037 0.436 0.000 0.627 243 A CB -0.809 18.471 19.000 0.467 0.000 0.818 243 A HN 0.111 nan 8.150 nan 0.000 0.445 244 V N -0.206 119.889 119.914 0.302 0.000 2.490 244 V HA -0.223 3.897 4.120 -0.001 0.000 0.250 244 V C 2.984 179.210 176.094 0.219 0.000 1.061 244 V CA 1.678 64.110 62.300 0.220 0.000 1.064 244 V CB -1.134 30.779 31.823 0.150 0.000 0.670 244 V HN 0.628 nan 8.190 nan 0.000 0.461 245 A N -0.285 122.683 122.820 0.246 0.000 1.902 245 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 245 A C 2.014 179.790 177.584 0.319 0.000 1.181 245 A CA 1.823 53.984 52.037 0.207 0.000 0.623 245 A CB -0.662 18.391 19.000 0.088 0.000 0.818 245 A HN 0.483 nan 8.150 nan 0.000 0.443 246 F N -0.056 120.134 119.950 0.400 0.000 2.146 246 F HA -0.047 4.479 4.527 -0.001 0.000 0.298 246 F C 2.120 177.990 175.800 0.117 0.000 1.096 246 F CA 1.193 59.359 58.000 0.277 0.000 1.275 246 F CB -0.418 38.717 39.000 0.224 0.000 1.008 246 F HN 0.077 nan 8.300 nan 0.000 0.480 247 L N -0.952 120.434 121.223 0.273 0.000 2.083 247 L HA -0.230 4.110 4.340 -0.001 0.000 0.209 247 L C 2.401 179.323 176.870 0.086 0.000 1.083 247 L CA 1.168 56.081 54.840 0.122 0.000 0.752 247 L CB -0.849 41.255 42.059 0.075 0.000 0.899 247 L HN 0.065 nan 8.230 nan 0.000 0.433 248 S N -0.025 115.747 115.700 0.120 0.000 2.399 248 S HA -0.139 4.330 4.470 -0.001 0.000 0.231 248 S C 2.221 176.885 174.600 0.106 0.000 1.022 248 S CA 1.066 59.326 58.200 0.099 0.000 0.983 248 S CB -0.234 63.038 63.200 0.120 0.000 0.803 248 S HN 0.505 nan 8.310 nan 0.000 0.480 249 A N 1.689 124.571 122.820 0.103 0.000 1.933 249 A HA 0.074 4.393 4.320 -0.001 0.000 0.218 249 A C 2.362 179.941 177.584 -0.008 0.000 1.175 249 A CA 1.681 53.721 52.037 0.005 0.000 0.628 249 A CB -1.061 17.794 19.000 -0.241 0.000 0.814 249 A HN 0.515 nan 8.150 nan 0.000 0.444 250 A N -0.535 122.286 122.820 0.001 0.000 1.877 250 A HA -0.019 4.301 4.320 -0.001 0.000 0.216 250 A C 2.244 179.839 177.584 0.019 0.000 1.186 250 A CA 1.857 53.893 52.037 -0.002 0.000 0.620 250 A CB -0.982 18.013 19.000 -0.009 0.000 0.822 250 A HN 0.399 nan 8.150 nan 0.000 0.443 251 V N 0.262 120.192 119.914 0.027 0.000 2.295 251 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 251 V C 2.750 178.928 176.094 0.141 0.000 1.049 251 V CA 2.115 64.439 62.300 0.039 0.000 1.024 251 V CB -0.920 30.879 31.823 -0.040 0.000 0.648 251 V HN 0.623 nan 8.190 nan 0.000 0.447 252 V N -0.476 119.526 119.914 0.146 0.000 2.591 252 V HA -0.074 4.045 4.120 -0.001 0.000 0.249 252 V C 2.281 178.440 176.094 0.109 0.000 1.053 252 V CA 1.958 64.369 62.300 0.185 0.000 1.068 252 V CB -0.590 31.334 31.823 0.168 0.000 0.689 252 V HN 0.626 nan 8.190 nan 0.000 0.462 253 S N 0.165 115.904 115.700 0.064 0.000 2.528 253 S HA 0.335 4.804 4.470 -0.001 0.000 0.219 253 S C 1.794 176.410 174.600 0.027 0.000 0.985 253 S CA 0.719 58.936 58.200 0.028 0.000 0.914 253 S CB -0.050 63.146 63.200 -0.006 0.000 0.776 253 S HN 1.917 nan 8.310 nan 0.000 0.526 254 G N 0.382 109.210 108.800 0.045 0.000 2.160 254 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.251 254 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.251 254 G C 0.370 175.278 174.900 0.013 0.000 1.008 254 G CA 0.083 45.205 45.100 0.037 0.000 0.724 254 G HN 1.079 nan 8.290 nan 0.000 0.514 255 G N -1.686 107.116 108.800 0.002 0.000 2.971 255 G HA2 0.753 4.713 3.960 -0.001 0.000 0.235 255 G HA3 0.753 4.713 3.960 -0.001 0.000 0.235 255 G C -0.432 174.457 174.900 -0.018 0.000 1.351 255 G CA 0.277 45.369 45.100 -0.014 0.000 1.039 255 G HN 0.648 nan 8.290 nan 0.000 0.563 256 T N -0.048 114.491 114.554 -0.026 0.000 2.792 256 T HA 0.557 4.907 4.350 -0.001 0.000 0.280 256 T C -0.839 173.842 174.700 -0.033 0.000 0.990 256 T CA -0.208 61.874 62.100 -0.030 0.000 0.960 256 T CB 1.697 70.547 68.868 -0.030 0.000 0.939 256 T HN 0.307 nan 8.240 nan 0.000 0.439 257 V N 3.676 123.571 119.914 -0.031 0.000 2.531 257 V HA 0.556 4.675 4.120 -0.001 0.000 0.301 257 V C -0.099 175.968 176.094 -0.044 0.000 1.034 257 V CA -0.946 61.341 62.300 -0.022 0.000 0.865 257 V CB 1.901 33.735 31.823 0.018 0.000 0.995 257 V HN 0.730 nan 8.190 nan 0.000 0.424 258 R N 5.131 125.605 120.500 -0.044 0.000 2.343 258 R HA 0.638 4.978 4.340 -0.001 0.000 0.320 258 R C -1.238 175.034 176.300 -0.046 0.000 0.956 258 R CA -0.568 55.496 56.100 -0.060 0.000 0.836 258 R CB 1.115 31.388 30.300 -0.046 0.000 1.151 258 R HN 0.696 nan 8.270 nan 0.000 0.450 259 I N 4.919 125.452 120.570 -0.061 0.000 2.321 259 I HA 0.159 4.328 4.170 -0.001 0.000 0.291 259 I C 0.884 177.059 176.117 0.097 0.000 0.998 259 I CA -0.572 60.742 61.300 0.022 0.000 1.227 259 I CB 1.777 39.826 38.000 0.081 0.000 1.368 259 I HN 0.727 nan 8.210 nan 0.000 0.466 260 T N 1.480 116.093 114.554 0.099 0.000 2.788 260 T HA 0.406 4.755 4.350 -0.001 0.000 0.280 260 T C 1.122 175.935 174.700 0.187 0.000 0.984 260 T CA 0.072 62.242 62.100 0.117 0.000 0.972 260 T CB 1.406 70.311 68.868 0.061 0.000 1.039 260 T HN 0.991 nan 8.240 nan 0.000 0.530 261 G N 0.039 108.937 108.800 0.162 0.000 2.341 261 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.292 261 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.292 261 G C -0.068 174.949 174.900 0.196 0.000 1.021 261 G CA 0.096 45.284 45.100 0.147 0.000 0.905 261 G HN 0.803 nan 8.290 nan 0.000 0.508 262 W N 1.140 122.475 121.300 0.058 0.000 2.316 262 W HA 0.492 5.151 4.660 -0.001 0.000 0.321 262 W C -1.873 174.716 176.519 0.116 0.000 1.203 262 W CA -1.975 55.415 57.345 0.075 0.000 1.214 262 W CB 1.489 31.002 29.460 0.087 0.000 1.169 262 W HN 0.178 nan 8.180 nan 0.000 0.561 263 P HA 0.198 nan 4.420 nan 0.000 0.277 263 P C 0.437 177.909 177.300 0.287 0.000 1.240 263 P CA 0.149 63.280 63.100 0.051 0.000 0.798 263 P CB 1.201 32.833 31.700 -0.113 0.000 0.979 264 R N 0.496 121.125 120.500 0.216 0.000 2.096 264 R HA 0.017 4.356 4.340 -0.001 0.000 0.235 264 R C 0.399 176.866 176.300 0.278 0.000 1.127 264 R CA 1.238 57.484 56.100 0.245 0.000 0.968 264 R CB -0.271 30.085 30.300 0.094 0.000 0.861 264 R HN 0.416 nan 8.270 nan 0.000 0.440 265 V N -0.778 119.223 119.914 0.145 0.000 2.888 265 V HA 0.424 4.544 4.120 -0.001 0.000 0.309 265 V C -0.666 175.443 176.094 0.026 0.000 1.114 265 V CA -1.182 61.175 62.300 0.094 0.000 0.940 265 V CB 2.096 33.956 31.823 0.063 0.000 1.021 265 V HN 0.114 nan 8.190 nan 0.000 0.426 266 S N 1.171 116.871 115.700 -0.001 0.000 2.542 266 S HA 0.650 5.120 4.470 -0.001 0.000 0.293 266 S C 0.636 175.221 174.600 -0.026 0.000 1.089 266 S CA -0.137 58.030 58.200 -0.056 0.000 0.961 266 S CB 1.800 64.910 63.200 -0.149 0.000 1.062 266 S HN 1.674 nan 8.310 nan 0.000 0.483 267 V N -1.293 118.601 119.914 -0.033 0.000 3.129 267 V HA 0.092 4.212 4.120 -0.001 0.000 0.259 267 V C 0.556 176.640 176.094 -0.017 0.000 1.116 267 V CA 0.584 62.875 62.300 -0.015 0.000 1.127 267 V CB -1.097 30.717 31.823 -0.015 0.000 0.742 267 V HN 0.814 nan 8.190 nan 0.000 0.474 268 Q N 2.116 121.890 119.800 -0.043 0.000 2.417 268 Q HA 0.274 4.613 4.340 -0.001 0.000 0.241 268 Q C -2.041 173.976 176.000 0.028 0.000 1.008 268 Q CA -1.550 54.236 55.803 -0.029 0.000 0.901 268 Q CB 0.423 29.120 28.738 -0.068 0.000 1.259 268 Q HN 0.308 nan 8.270 nan 0.000 0.489 269 P HA 0.043 nan 4.420 nan 0.000 0.228 269 P C -0.242 177.176 177.300 0.196 0.000 1.748 269 P CA 0.262 63.481 63.100 0.198 0.000 0.909 269 P CB -0.197 31.624 31.700 0.202 0.000 1.882 270 A N 0.905 123.801 122.820 0.125 0.000 1.930 270 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 270 A C 1.925 179.579 177.584 0.117 0.000 1.175 270 A CA 1.415 53.545 52.037 0.156 0.000 0.627 270 A CB -0.751 18.368 19.000 0.198 0.000 0.815 270 A HN 0.170 nan 8.150 nan 0.000 0.443 271 D N -0.501 119.928 120.400 0.049 0.000 2.133 271 D HA -0.180 4.460 4.640 -0.001 0.000 0.195 271 D C 1.639 177.893 176.300 -0.077 0.000 0.997 271 D CA 1.841 55.810 54.000 -0.052 0.000 0.840 271 D CB -0.486 40.232 40.800 -0.136 0.000 0.947 271 D HN 0.717 nan 8.370 nan 0.000 0.452 272 H N -0.062 119.022 119.070 0.023 0.000 2.321 272 H HA -0.068 4.487 4.556 -0.001 0.000 0.300 272 H C 2.005 177.333 175.328 0.001 0.000 1.087 272 H CA 0.900 56.956 56.048 0.013 0.000 1.319 272 H CB -0.092 29.682 29.762 0.020 0.000 1.379 272 H HN 0.072 nan 8.280 nan 0.000 0.501 273 I N 0.397 121.051 120.570 0.140 0.000 2.353 273 I HA -0.159 4.011 4.170 -0.001 0.000 0.248 273 I C 1.695 177.816 176.117 0.006 0.000 1.119 273 I CA 1.133 62.469 61.300 0.060 0.000 1.417 273 I CB -0.288 37.756 38.000 0.074 0.000 1.078 273 I HN 0.202 nan 8.210 nan 0.000 0.421 274 L N 0.218 121.448 121.223 0.013 0.000 2.131 274 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 274 L C 2.634 179.476 176.870 -0.047 0.000 1.092 274 L CA 1.169 55.992 54.840 -0.029 0.000 0.759 274 L CB -0.957 41.085 42.059 -0.028 0.000 0.903 274 L HN 0.320 nan 8.230 nan 0.000 0.435 275 A N 0.458 123.257 122.820 -0.035 0.000 1.902 275 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 275 A C 2.190 179.734 177.584 -0.067 0.000 1.181 275 A CA 1.441 53.453 52.037 -0.042 0.000 0.623 275 A CB -0.547 18.438 19.000 -0.026 0.000 0.818 275 A HN 0.335 nan 8.150 nan 0.000 0.443 276 I N -0.136 120.384 120.570 -0.084 0.000 2.179 276 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 276 I C 2.314 178.290 176.117 -0.236 0.000 1.088 276 I CA 1.106 62.299 61.300 -0.178 0.000 1.357 276 I CB -0.348 37.527 38.000 -0.209 0.000 1.051 276 I HN 0.278 nan 8.210 nan 0.000 0.409 277 L N 0.105 121.214 121.223 -0.189 0.000 2.083 277 L HA -0.215 4.124 4.340 -0.001 0.000 0.209 277 L C 2.717 179.495 176.870 -0.154 0.000 1.083 277 L CA 1.122 55.844 54.840 -0.196 0.000 0.752 277 L CB -0.631 41.344 42.059 -0.140 0.000 0.899 277 L HN 0.221 nan 8.230 nan 0.000 0.433 278 R N 0.969 121.403 120.500 -0.110 0.000 2.092 278 R HA -0.193 4.146 4.340 -0.001 0.000 0.231 278 R C 2.347 178.605 176.300 -0.070 0.000 1.119 278 R CA 1.588 57.642 56.100 -0.076 0.000 0.970 278 R CB -0.378 29.889 30.300 -0.054 0.000 0.864 278 R HN 0.575 nan 8.270 nan 0.000 0.440 279 Q N -0.099 119.649 119.800 -0.087 0.000 2.369 279 Q HA -0.068 4.272 4.340 -0.001 0.000 0.206 279 Q C 1.003 176.964 176.000 -0.064 0.000 0.963 279 Q CA 1.104 56.870 55.803 -0.062 0.000 0.894 279 Q CB -0.038 28.668 28.738 -0.053 0.000 0.965 279 Q HN 0.412 nan 8.270 nan 0.000 0.475 280 L N 0.883 122.020 121.223 -0.144 0.000 2.612 280 L HA 0.123 4.462 4.340 -0.001 0.000 0.230 280 L C -0.161 176.684 176.870 -0.042 0.000 1.140 280 L CA -0.237 54.514 54.840 -0.148 0.000 0.896 280 L CB -0.421 41.355 42.059 -0.473 0.000 1.065 280 L HN 0.277 nan 8.230 nan 0.000 0.447 281 N N -0.107 118.576 118.700 -0.029 0.000 2.725 281 N HA -0.168 4.572 4.740 -0.001 0.000 0.249 281 N C 0.329 175.833 175.510 -0.010 0.000 1.103 281 N CA 0.897 53.945 53.050 -0.003 0.000 0.707 281 N CB -1.059 37.449 38.487 0.035 0.000 1.043 281 N HN 0.423 nan 8.380 nan 0.000 0.553 282 A N -0.030 122.762 122.820 -0.045 0.000 2.388 282 A HA 0.490 4.810 4.320 -0.001 0.000 0.257 282 A C 0.822 178.383 177.584 -0.040 0.000 1.095 282 A CA -0.304 51.706 52.037 -0.044 0.000 0.791 282 A CB 0.857 19.812 19.000 -0.075 0.000 1.029 282 A HN 0.078 nan 8.150 nan 0.000 0.489 283 V N 2.682 122.576 119.914 -0.032 0.000 2.555 283 V HA 0.281 4.401 4.120 -0.001 0.000 0.286 283 V C -0.074 175.989 176.094 -0.050 0.000 1.044 283 V CA 0.210 62.490 62.300 -0.034 0.000 1.026 283 V CB 1.086 32.894 31.823 -0.026 0.000 0.981 283 V HN 0.579 nan 8.190 nan 0.000 0.480 284 V N 7.210 127.093 119.914 -0.052 0.000 2.482 284 V HA 0.514 4.633 4.120 -0.001 0.000 0.295 284 V C -0.399 175.663 176.094 -0.053 0.000 1.026 284 V CA -0.361 61.896 62.300 -0.071 0.000 0.856 284 V CB 1.729 33.507 31.823 -0.075 0.000 1.001 284 V HN 0.664 nan 8.190 nan 0.000 0.424 285 I N 4.198 124.731 120.570 -0.063 0.000 2.418 285 I HA 0.423 4.592 4.170 -0.001 0.000 0.287 285 I C -0.358 175.754 176.117 -0.007 0.000 1.008 285 I CA -0.431 60.851 61.300 -0.030 0.000 1.104 285 I CB 1.641 39.619 38.000 -0.036 0.000 1.264 285 I HN 0.662 nan 8.210 nan 0.000 0.438 286 H N 6.545 125.558 119.070 -0.094 0.000 2.661 286 H HA 0.675 5.230 4.556 -0.001 0.000 0.290 286 H C -0.583 174.719 175.328 -0.043 0.000 1.082 286 H CA -0.488 55.503 56.048 -0.094 0.000 1.234 286 H CB 0.996 30.731 29.762 -0.044 0.000 1.387 286 H HN 0.832 nan 8.280 nan 0.000 0.476 287 A N 3.721 126.514 122.820 -0.044 0.000 3.068 287 A HA 0.158 4.477 4.320 -0.001 0.000 0.229 287 A C -0.050 177.452 177.584 -0.137 0.000 1.561 287 A CA -0.741 51.234 52.037 -0.102 0.000 0.876 287 A CB 0.334 19.309 19.000 -0.042 0.000 1.700 287 A HN 0.746 nan 8.150 nan 0.000 0.535 288 D N 1.132 121.490 120.400 -0.070 0.000 2.349 288 D HA 0.262 4.902 4.640 -0.001 0.000 0.266 288 D C 0.228 176.538 176.300 0.017 0.000 1.293 288 D CA 1.411 55.389 54.000 -0.037 0.000 0.926 288 D CB -0.126 40.659 40.800 -0.024 0.000 1.090 288 D HN 0.589 nan 8.370 nan 0.000 0.502 289 S N 0.848 116.582 115.700 0.057 0.000 3.521 289 S HA -0.190 4.280 4.470 -0.001 0.000 0.328 289 S C 0.256 174.976 174.600 0.201 0.000 1.165 289 S CA 0.622 58.906 58.200 0.140 0.000 0.941 289 S CB -1.442 61.814 63.200 0.094 0.000 0.951 289 S HN 0.409 nan 8.310 nan 0.000 0.539 290 S N -0.290 115.531 115.700 0.202 0.000 2.565 290 S HA 0.753 5.223 4.470 -0.001 0.000 0.269 290 S C -1.309 173.297 174.600 0.009 0.000 1.153 290 S CA -0.890 57.390 58.200 0.134 0.000 0.835 290 S CB 1.944 65.172 63.200 0.048 0.000 1.122 290 S HN 0.600 nan 8.310 nan 0.000 0.462 291 L N 2.324 123.386 121.223 -0.269 0.000 2.381 291 L HA 0.707 5.047 4.340 -0.001 0.000 0.274 291 L C -0.668 176.001 176.870 -0.334 0.000 0.988 291 L CA -0.007 54.516 54.840 -0.527 0.000 0.824 291 L CB 1.571 42.781 42.059 -1.416 0.000 1.263 291 L HN 0.783 nan 8.230 nan 0.000 0.410 292 E N 3.889 123.959 120.200 -0.217 0.000 2.222 292 E HA 0.669 5.018 4.350 -0.001 0.000 0.267 292 E C -1.901 174.618 176.600 -0.134 0.000 0.884 292 E CA -0.764 55.549 56.400 -0.145 0.000 0.764 292 E CB 2.060 31.708 29.700 -0.088 0.000 1.169 292 E HN 0.500 nan 8.360 nan 0.000 0.413 293 V N 4.676 124.525 119.914 -0.110 0.000 2.604 293 V HA 0.527 4.647 4.120 -0.001 0.000 0.305 293 V C -0.448 175.612 176.094 -0.055 0.000 1.043 293 V CA -0.775 61.472 62.300 -0.087 0.000 0.888 293 V CB 1.854 33.623 31.823 -0.090 0.000 0.995 293 V HN 0.680 nan 8.190 nan 0.000 0.429 294 R N 2.637 123.110 120.500 -0.044 0.000 2.439 294 R HA 0.591 4.931 4.340 -0.001 0.000 0.310 294 R C 0.158 176.448 176.300 -0.016 0.000 0.955 294 R CA -0.562 55.522 56.100 -0.027 0.000 0.853 294 R CB 2.178 32.464 30.300 -0.023 0.000 1.171 294 R HN 0.881 nan 8.270 nan 0.000 0.449 295 G N 3.525 112.324 108.800 -0.002 0.000 2.539 295 G HA2 0.351 4.310 3.960 -0.001 0.000 0.258 295 G HA3 0.351 4.310 3.960 -0.001 0.000 0.258 295 G C -2.115 172.809 174.900 0.039 0.000 1.202 295 G CA -0.810 44.303 45.100 0.020 0.000 0.851 295 G HN 0.300 nan 8.290 nan 0.000 0.556 296 P HA 0.180 nan 4.420 nan 0.000 0.282 296 P C 0.729 178.081 177.300 0.085 0.000 1.287 296 P CA -0.253 62.893 63.100 0.077 0.000 0.792 296 P CB 1.218 32.984 31.700 0.109 0.000 1.163 297 T N -2.204 112.387 114.554 0.061 0.000 2.995 297 T HA 0.222 4.571 4.350 -0.001 0.000 0.269 297 T C 0.739 175.462 174.700 0.037 0.000 1.091 297 T CA 1.230 63.355 62.100 0.042 0.000 1.128 297 T CB -0.860 68.021 68.868 0.022 0.000 0.891 297 T HN 0.759 nan 8.240 nan 0.000 0.492 298 G N -0.630 108.209 108.800 0.065 0.000 2.451 298 G HA2 0.508 4.468 3.960 -0.001 0.000 0.292 298 G HA3 0.508 4.468 3.960 -0.001 0.000 0.292 298 G C -2.084 172.870 174.900 0.090 0.000 1.427 298 G CA -0.555 44.536 45.100 -0.016 0.000 0.792 298 G HN 0.391 nan 8.290 nan 0.000 0.498 299 Y N -0.900 119.433 120.300 0.056 0.000 2.638 299 Y HA 0.791 5.340 4.550 -0.001 0.000 0.335 299 Y C -0.632 175.322 175.900 0.091 0.000 1.155 299 Y CA -1.221 56.923 58.100 0.074 0.000 1.046 299 Y CB 1.214 39.728 38.460 0.090 0.000 1.303 299 Y HN 0.741 nan 8.280 nan 0.000 0.460 300 D N 0.605 121.161 120.400 0.259 0.000 2.588 300 D HA 0.520 5.159 4.640 -0.001 0.000 0.268 300 D C 0.319 176.797 176.300 0.296 0.000 1.176 300 D CA -0.445 53.655 54.000 0.166 0.000 1.080 300 D CB 0.856 41.718 40.800 0.104 0.000 1.186 300 D HN 0.998 nan 8.370 nan 0.000 0.619 301 G N -1.509 107.381 108.800 0.150 0.000 2.569 301 G HA2 0.487 4.447 3.960 -0.001 0.000 0.249 301 G HA3 0.487 4.447 3.960 -0.001 0.000 0.249 301 G C -0.698 174.289 174.900 0.145 0.000 1.216 301 G CA -0.535 44.595 45.100 0.050 0.000 0.845 301 G HN 0.491 nan 8.290 nan 0.000 0.568 302 F N -1.366 118.638 119.950 0.090 0.000 2.613 302 F HA 0.628 5.155 4.527 -0.001 0.000 0.310 302 F C -1.319 174.513 175.800 0.054 0.000 1.085 302 F CA -1.813 56.226 58.000 0.066 0.000 0.945 302 F CB 1.847 40.880 39.000 0.055 0.000 1.298 302 F HN 0.206 nan 8.300 nan 0.000 0.455 303 D N 2.346 122.890 120.400 0.240 0.000 2.425 303 D HA 0.552 5.191 4.640 -0.001 0.000 0.240 303 D C -0.828 175.600 176.300 0.214 0.000 1.080 303 D CA -0.163 53.930 54.000 0.155 0.000 0.836 303 D CB 2.124 42.978 40.800 0.091 0.000 1.125 303 D HN 0.717 nan 8.370 nan 0.000 0.525 304 V N -0.649 119.398 119.914 0.222 0.000 2.841 304 V HA 0.557 4.676 4.120 -0.001 0.000 0.310 304 V C -0.760 175.412 176.094 0.130 0.000 1.090 304 V CA -0.961 61.450 62.300 0.185 0.000 0.930 304 V CB 2.788 34.743 31.823 0.220 0.000 1.014 304 V HN 0.301 nan 8.190 nan 0.000 0.425 305 D N 3.161 123.619 120.400 0.096 0.000 2.329 305 D HA 0.444 5.083 4.640 -0.001 0.000 0.232 305 D C 0.158 176.496 176.300 0.064 0.000 1.088 305 D CA -0.251 53.793 54.000 0.074 0.000 0.835 305 D CB 1.910 42.743 40.800 0.056 0.000 1.078 305 D HN 0.705 nan 8.370 nan 0.000 0.495 306 L N 4.148 125.411 121.223 0.067 0.000 2.741 306 L HA 0.249 4.589 4.340 -0.001 0.000 0.237 306 L C 2.278 179.175 176.870 0.046 0.000 1.178 306 L CA -0.310 54.562 54.840 0.054 0.000 0.973 306 L CB 0.100 42.204 42.059 0.075 0.000 1.255 306 L HN 0.304 nan 8.230 nan 0.000 0.498 307 R N 1.262 121.783 120.500 0.036 0.000 2.103 307 R HA -0.215 4.124 4.340 -0.001 0.000 0.242 307 R C 2.107 178.389 176.300 -0.030 0.000 1.142 307 R CA 1.854 57.964 56.100 0.017 0.000 0.960 307 R CB -0.042 30.234 30.300 -0.040 0.000 0.858 307 R HN 0.429 nan 8.270 nan 0.000 0.439 308 A N -0.124 122.630 122.820 -0.111 0.000 2.206 308 A HA 0.024 4.344 4.320 -0.001 0.000 0.211 308 A C 1.014 178.490 177.584 -0.180 0.000 1.158 308 A CA 0.991 52.901 52.037 -0.213 0.000 0.761 308 A CB 0.361 19.055 19.000 -0.510 0.000 0.801 308 A HN 0.263 nan 8.150 nan 0.000 0.473 309 V N -4.524 115.336 119.914 -0.091 0.000 2.886 309 V HA 0.523 4.643 4.120 -0.001 0.000 0.368 309 V C 0.957 177.063 176.094 0.020 0.000 1.313 309 V CA 0.018 62.298 62.300 -0.033 0.000 1.491 309 V CB -0.440 31.366 31.823 -0.028 0.000 1.345 309 V HN 0.208 nan 8.190 nan 0.000 0.646 310 G N 1.928 110.754 108.800 0.045 0.000 2.450 310 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.220 310 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.220 310 G C 1.268 176.186 174.900 0.031 0.000 1.130 310 G CA 1.246 46.378 45.100 0.053 0.000 0.760 310 G HN 0.809 nan 8.290 nan 0.000 0.557 311 E N 0.953 121.174 120.200 0.035 0.000 2.268 311 E HA -0.082 4.268 4.350 -0.001 0.000 0.195 311 E C 2.123 178.742 176.600 0.032 0.000 0.995 311 E CA 0.525 56.948 56.400 0.038 0.000 0.836 311 E CB -0.520 29.207 29.700 0.046 0.000 0.763 311 E HN 0.501 nan 8.360 nan 0.000 0.491 312 L N 1.295 122.541 121.223 0.037 0.000 2.591 312 L HA 0.057 4.397 4.340 -0.001 0.000 0.228 312 L C 2.013 178.913 176.870 0.048 0.000 1.133 312 L CA 0.447 55.312 54.840 0.042 0.000 0.880 312 L CB -0.463 41.626 42.059 0.050 0.000 1.033 312 L HN 0.035 nan 8.230 nan 0.000 0.450 313 T N 1.063 115.646 114.554 0.048 0.000 2.635 313 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 313 T C -0.388 174.356 174.700 0.073 0.000 1.040 313 T CA 1.727 63.864 62.100 0.061 0.000 1.156 313 T CB -0.997 67.897 68.868 0.042 0.000 0.863 313 T HN 0.269 nan 8.240 nan 0.000 0.430 314 P HA 0.005 nan 4.420 nan 0.000 0.216 314 P C 1.697 179.043 177.300 0.076 0.000 1.150 314 P CA 1.059 64.210 63.100 0.084 0.000 0.837 314 P CB -0.117 31.619 31.700 0.061 0.000 0.786 315 S N -0.747 114.979 115.700 0.043 0.000 2.368 315 S HA -0.082 4.387 4.470 -0.001 0.000 0.224 315 S C 1.991 176.643 174.600 0.088 0.000 1.029 315 S CA 1.121 59.347 58.200 0.044 0.000 0.988 315 S CB -1.168 62.053 63.200 0.035 0.000 0.838 315 S HN -0.047 nan 8.310 nan 0.000 0.462 316 V N 2.131 122.107 119.914 0.104 0.000 2.407 316 V HA -0.178 3.942 4.120 -0.001 0.000 0.248 316 V C 2.604 178.842 176.094 0.240 0.000 1.055 316 V CA 1.622 64.022 62.300 0.166 0.000 1.049 316 V CB -1.209 30.709 31.823 0.159 0.000 0.662 316 V HN 0.527 nan 8.190 nan 0.000 0.455 317 A N 0.098 123.024 122.820 0.177 0.000 1.898 317 A HA -0.071 4.248 4.320 -0.001 0.000 0.216 317 A C 2.441 180.130 177.584 0.175 0.000 1.181 317 A CA 1.926 54.063 52.037 0.167 0.000 0.620 317 A CB -0.723 18.367 19.000 0.150 0.000 0.819 317 A HN 0.556 nan 8.150 nan 0.000 0.442 318 A N -0.075 122.835 122.820 0.150 0.000 1.902 318 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 318 A C 2.153 179.841 177.584 0.172 0.000 1.181 318 A CA 1.503 53.607 52.037 0.112 0.000 0.623 318 A CB -0.632 18.383 19.000 0.024 0.000 0.818 318 A HN 0.482 nan 8.150 nan 0.000 0.443 319 L N -0.805 120.554 121.223 0.226 0.000 2.042 319 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 319 L C 3.096 180.269 176.870 0.505 0.000 1.076 319 L CA 1.159 56.203 54.840 0.340 0.000 0.749 319 L CB -0.632 41.559 42.059 0.220 0.000 0.893 319 L HN 0.439 nan 8.230 nan 0.000 0.432 320 A N 0.080 123.151 122.820 0.419 0.000 1.902 320 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 320 A C 2.489 180.146 177.584 0.121 0.000 1.181 320 A CA 1.636 53.779 52.037 0.176 0.000 0.623 320 A CB -0.669 18.280 19.000 -0.086 0.000 0.818 320 A HN 0.398 nan 8.150 nan 0.000 0.443 321 A N -0.825 122.072 122.820 0.129 0.000 2.121 321 A HA 0.163 4.482 4.320 -0.001 0.000 0.218 321 A C 1.714 179.343 177.584 0.075 0.000 1.154 321 A CA 1.097 53.188 52.037 0.091 0.000 0.679 321 A CB -0.381 18.684 19.000 0.109 0.000 0.795 321 A HN 0.456 nan 8.150 nan 0.000 0.458 322 L N -0.679 120.613 121.223 0.115 0.000 2.769 322 L HA 0.308 4.647 4.340 -0.001 0.000 0.240 322 L C 1.145 177.938 176.870 -0.128 0.000 1.163 322 L CA -0.277 54.594 54.840 0.052 0.000 0.962 322 L CB -0.139 41.988 42.059 0.114 0.000 1.258 322 L HN 0.349 nan 8.230 nan 0.000 0.513 323 A N 0.349 123.106 122.820 -0.106 0.000 2.327 323 A HA 0.338 4.658 4.320 -0.001 0.000 0.255 323 A C 0.803 178.233 177.584 -0.257 0.000 1.099 323 A CA -0.097 51.721 52.037 -0.365 0.000 0.801 323 A CB 0.237 19.238 19.000 0.003 0.000 1.062 323 A HN 0.351 nan 8.150 nan 0.000 0.496 324 S N 0.930 116.480 115.700 -0.250 0.000 2.546 324 S HA 0.284 4.754 4.470 -0.001 0.000 0.290 324 S C -2.547 172.006 174.600 -0.078 0.000 1.290 324 S CA -0.849 57.266 58.200 -0.141 0.000 1.069 324 S CB -0.290 62.849 63.200 -0.102 0.000 0.846 324 S HN 0.446 nan 8.310 nan 0.000 0.495 325 P HA 0.166 nan 4.420 nan 0.000 0.261 325 P C 1.228 178.513 177.300 -0.025 0.000 1.173 325 P CA 1.625 64.704 63.100 -0.034 0.000 0.760 325 P CB -0.023 31.662 31.700 -0.026 0.000 0.783 326 G N 1.723 110.511 108.800 -0.020 0.000 2.234 326 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.235 326 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.235 326 G C 0.346 175.236 174.900 -0.017 0.000 0.997 326 G CA -0.034 45.057 45.100 -0.015 0.000 0.623 326 G HN 0.581 nan 8.290 nan 0.000 0.514 327 S N 0.187 115.874 115.700 -0.023 0.000 2.549 327 S HA 0.495 4.964 4.470 -0.001 0.000 0.283 327 S C 0.390 174.965 174.600 -0.041 0.000 1.320 327 S CA -0.009 58.178 58.200 -0.023 0.000 1.058 327 S CB 2.035 65.224 63.200 -0.017 0.000 0.882 327 S HN 0.761 nan 8.310 nan 0.000 0.498 328 V N 3.351 123.238 119.914 -0.046 0.000 2.459 328 V HA 0.485 4.604 4.120 -0.001 0.000 0.295 328 V C -0.015 176.005 176.094 -0.123 0.000 1.029 328 V CA -0.514 61.746 62.300 -0.068 0.000 0.874 328 V CB 1.733 33.532 31.823 -0.040 0.000 0.985 328 V HN 0.867 nan 8.190 nan 0.000 0.438 329 S N 4.649 120.233 115.700 -0.193 0.000 2.500 329 S HA 0.677 5.146 4.470 -0.001 0.000 0.301 329 S C -0.534 173.952 174.600 -0.190 0.000 1.092 329 S CA -0.898 57.102 58.200 -0.332 0.000 1.030 329 S CB 1.610 64.362 63.200 -0.746 0.000 1.031 329 S HN 0.700 nan 8.310 nan 0.000 0.483 330 R N 2.089 122.513 120.500 -0.127 0.000 2.409 330 R HA 0.485 4.824 4.340 -0.001 0.000 0.313 330 R C -1.141 175.164 176.300 0.009 0.000 0.953 330 R CA -0.469 55.607 56.100 -0.041 0.000 0.849 330 R CB 0.993 31.288 30.300 -0.007 0.000 1.171 330 R HN 0.467 nan 8.270 nan 0.000 0.458 331 L N 2.880 124.118 121.223 0.025 0.000 2.265 331 L HA 0.465 4.804 4.340 -0.001 0.000 0.289 331 L C 0.322 177.229 176.870 0.062 0.000 1.033 331 L CA -0.522 54.363 54.840 0.074 0.000 0.814 331 L CB 1.209 43.321 42.059 0.087 0.000 1.203 331 L HN 0.718 nan 8.230 nan 0.000 0.423 332 S N 0.484 116.227 115.700 0.071 0.000 2.751 332 S HA 0.824 5.293 4.470 -0.001 0.000 0.310 332 S C 0.712 175.357 174.600 0.074 0.000 1.128 332 S CA -0.054 58.183 58.200 0.062 0.000 0.931 332 S CB 1.912 65.143 63.200 0.052 0.000 1.177 332 S HN 0.974 nan 8.310 nan 0.000 0.530 333 G N 0.215 109.059 108.800 0.073 0.000 2.143 333 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.248 333 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.248 333 G C 0.323 175.332 174.900 0.180 0.000 0.991 333 G CA 0.481 45.632 45.100 0.085 0.000 0.689 333 G HN 1.687 nan 8.290 nan 0.000 0.522 334 I N -3.704 116.967 120.570 0.169 0.000 4.050 334 I HA 0.710 4.879 4.170 -0.001 0.000 0.327 334 I C 1.868 178.040 176.117 0.091 0.000 1.473 334 I CA 0.420 61.812 61.300 0.154 0.000 1.124 334 I CB 0.086 38.119 38.000 0.055 0.000 1.129 334 I HN 0.086 nan 8.210 nan 0.000 0.428 335 A N 2.767 125.672 122.820 0.141 0.000 1.917 335 A HA -0.278 4.041 4.320 -0.001 0.000 0.219 335 A C 2.401 180.038 177.584 0.089 0.000 1.182 335 A CA 2.401 54.490 52.037 0.087 0.000 0.633 335 A CB -1.268 17.782 19.000 0.083 0.000 0.819 335 A HN 0.801 nan 8.150 nan 0.000 0.448 336 H N 0.088 119.161 119.070 0.005 0.000 2.460 336 H HA -0.098 4.457 4.556 -0.001 0.000 0.297 336 H C 1.687 177.021 175.328 0.010 0.000 1.103 336 H CA 1.614 57.664 56.048 0.003 0.000 1.292 336 H CB -1.035 28.725 29.762 -0.004 0.000 1.376 336 H HN 0.469 nan 8.280 nan 0.000 0.531 337 L N 0.453 121.394 121.223 -0.470 0.000 2.265 337 L HA -0.093 4.247 4.340 -0.001 0.000 0.215 337 L C 2.930 179.742 176.870 -0.097 0.000 1.117 337 L CA 0.876 55.529 54.840 -0.313 0.000 0.782 337 L CB -0.372 41.531 42.059 -0.260 0.000 0.914 337 L HN 0.194 nan 8.230 nan 0.000 0.441 338 R N 0.136 120.597 120.500 -0.066 0.000 2.127 338 R HA -0.118 4.221 4.340 -0.001 0.000 0.238 338 R C 2.180 178.473 176.300 -0.012 0.000 1.134 338 R CA 1.261 57.339 56.100 -0.036 0.000 0.975 338 R CB -0.511 29.775 30.300 -0.024 0.000 0.865 338 R HN 0.424 nan 8.270 nan 0.000 0.447 339 G N -0.490 108.315 108.800 0.007 0.000 2.813 339 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.209 339 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.209 339 G C 0.238 175.182 174.900 0.075 0.000 1.150 339 G CA -0.197 44.921 45.100 0.030 0.000 0.785 339 G HN 0.349 nan 8.290 nan 0.000 0.535 340 H N -0.270 118.768 119.070 -0.054 0.000 2.679 340 H HA 0.146 4.701 4.556 -0.001 0.000 0.369 340 H C 1.540 176.841 175.328 -0.046 0.000 1.178 340 H CA -0.379 55.640 56.048 -0.048 0.000 1.419 340 H CB 1.130 30.853 29.762 -0.064 0.000 1.458 340 H HN 0.111 nan 8.280 nan 0.000 0.605 341 E N 0.417 120.600 120.200 -0.029 0.000 2.086 341 E HA -0.174 4.176 4.350 -0.001 0.000 0.205 341 E C 0.393 176.865 176.600 -0.213 0.000 1.027 341 E CA 2.079 58.390 56.400 -0.149 0.000 0.830 341 E CB 0.014 29.617 29.700 -0.161 0.000 0.751 341 E HN 0.642 nan 8.360 nan 0.000 0.456 342 T N -0.790 113.547 114.554 -0.362 0.000 2.749 342 T HA 0.186 4.536 4.350 -0.001 0.000 0.287 342 T C -0.452 174.135 174.700 -0.189 0.000 0.970 342 T CA -0.938 61.016 62.100 -0.244 0.000 0.980 342 T CB 1.434 70.168 68.868 -0.223 0.000 0.924 342 T HN -0.156 nan 8.240 nan 0.000 0.456 343 D N 2.785 123.084 120.400 -0.169 0.000 2.470 343 D HA 0.171 4.811 4.640 -0.001 0.000 0.226 343 D C 1.171 177.370 176.300 -0.168 0.000 1.196 343 D CA -0.520 53.395 54.000 -0.140 0.000 0.979 343 D CB 0.417 41.135 40.800 -0.137 0.000 1.059 343 D HN 0.578 nan 8.370 nan 0.000 0.515 344 R N 2.080 122.507 120.500 -0.121 0.000 2.235 344 R HA -0.060 4.280 4.340 -0.001 0.000 0.213 344 R C 1.437 177.682 176.300 -0.092 0.000 1.059 344 R CA 0.288 56.324 56.100 -0.107 0.000 0.997 344 R CB 0.238 30.509 30.300 -0.048 0.000 0.884 344 R HN 0.337 nan 8.270 nan 0.000 0.462 345 L N 0.294 121.467 121.223 -0.083 0.000 2.044 345 L HA -0.058 4.282 4.340 -0.001 0.000 0.205 345 L C 2.448 179.265 176.870 -0.089 0.000 1.075 345 L CA 1.868 56.670 54.840 -0.063 0.000 0.747 345 L CB -1.008 41.022 42.059 -0.048 0.000 0.903 345 L HN 0.114 nan 8.230 nan 0.000 0.435 346 A N -0.711 122.035 122.820 -0.123 0.000 1.902 346 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 346 A C 2.477 179.935 177.584 -0.211 0.000 1.181 346 A CA 1.893 53.840 52.037 -0.150 0.000 0.623 346 A CB -0.929 17.970 19.000 -0.169 0.000 0.818 346 A HN 0.396 nan 8.150 nan 0.000 0.443 347 A N -0.330 122.309 122.820 -0.301 0.000 1.877 347 A HA -0.041 4.279 4.320 -0.001 0.000 0.216 347 A C 2.189 179.647 177.584 -0.210 0.000 1.186 347 A CA 1.516 53.307 52.037 -0.410 0.000 0.620 347 A CB -0.643 18.047 19.000 -0.517 0.000 0.822 347 A HN 0.463 nan 8.150 nan 0.000 0.443 348 L N 0.506 121.654 121.223 -0.126 0.000 2.046 348 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 348 L C 3.063 179.900 176.870 -0.054 0.000 1.077 348 L CA 1.631 56.441 54.840 -0.049 0.000 0.747 348 L CB -0.437 41.645 42.059 0.039 0.000 0.896 348 L HN 0.625 nan 8.230 nan 0.000 0.432 349 S N -1.848 113.816 115.700 -0.059 0.000 2.368 349 S HA -0.177 4.293 4.470 -0.001 0.000 0.224 349 S C 1.940 176.504 174.600 -0.060 0.000 1.029 349 S CA 1.594 59.770 58.200 -0.041 0.000 0.988 349 S CB -0.799 62.377 63.200 -0.039 0.000 0.838 349 S HN 0.330 nan 8.310 nan 0.000 0.462 350 T N 2.183 116.681 114.554 -0.094 0.000 2.746 350 T HA -0.027 4.322 4.350 -0.001 0.000 0.267 350 T C 1.822 176.448 174.700 -0.123 0.000 1.039 350 T CA 1.522 63.571 62.100 -0.085 0.000 1.142 350 T CB -0.326 68.503 68.868 -0.066 0.000 0.866 350 T HN 0.401 nan 8.240 nan 0.000 0.444 351 E N 0.813 120.859 120.200 -0.257 0.000 2.072 351 E HA 0.075 4.424 4.350 -0.001 0.000 0.190 351 E C 2.288 178.766 176.600 -0.203 0.000 0.982 351 E CA 0.537 56.642 56.400 -0.491 0.000 0.803 351 E CB -0.432 28.434 29.700 -1.391 0.000 0.755 351 E HN 0.492 nan 8.360 nan 0.000 0.453 352 I N 1.901 122.452 120.570 -0.031 0.000 2.163 352 I HA -0.295 3.874 4.170 -0.001 0.000 0.243 352 I C 1.894 178.070 176.117 0.098 0.000 1.085 352 I CA 1.017 62.426 61.300 0.182 0.000 1.347 352 I CB -0.312 37.789 38.000 0.168 0.000 1.044 352 I HN 0.048 nan 8.210 nan 0.000 0.408 353 N N 0.606 119.326 118.700 0.033 0.000 2.166 353 N HA -0.199 4.541 4.740 -0.001 0.000 0.186 353 N C 1.861 177.385 175.510 0.023 0.000 1.019 353 N CA 0.997 54.060 53.050 0.022 0.000 0.856 353 N CB -0.486 38.003 38.487 0.002 0.000 0.993 353 N HN 0.340 nan 8.380 nan 0.000 0.426 354 R N 0.948 121.452 120.500 0.007 0.000 2.096 354 R HA 0.006 4.345 4.340 -0.001 0.000 0.235 354 R C 1.439 177.770 176.300 0.052 0.000 1.127 354 R CA 0.829 56.937 56.100 0.013 0.000 0.968 354 R CB -0.144 30.145 30.300 -0.019 0.000 0.861 354 R HN 0.210 nan 8.270 nan 0.000 0.440 355 L N -0.164 121.118 121.223 0.097 0.000 2.627 355 L HA 0.160 4.499 4.340 -0.001 0.000 0.233 355 L C 0.913 177.835 176.870 0.086 0.000 1.144 355 L CA 0.607 55.520 54.840 0.121 0.000 0.892 355 L CB 0.341 42.522 42.059 0.204 0.000 1.039 355 L HN 0.614 nan 8.230 nan 0.000 0.442 356 G N -0.303 108.535 108.800 0.064 0.000 2.144 356 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.218 356 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.218 356 G C 0.461 175.389 174.900 0.047 0.000 0.988 356 G CA -0.189 44.939 45.100 0.047 0.000 0.659 356 G HN 0.501 nan 8.290 nan 0.000 0.522 357 G N -1.253 107.583 108.800 0.061 0.000 2.531 357 G HA2 0.647 4.606 3.960 -0.001 0.000 0.281 357 G HA3 0.647 4.606 3.960 -0.001 0.000 0.281 357 G C -0.282 174.641 174.900 0.039 0.000 1.382 357 G CA 0.403 45.538 45.100 0.057 0.000 1.045 357 G HN 0.766 nan 8.290 nan 0.000 0.533 358 T N -0.696 113.878 114.554 0.034 0.000 3.089 358 T HA 0.374 4.724 4.350 -0.001 0.000 0.340 358 T C -1.338 173.372 174.700 0.017 0.000 1.008 358 T CA -0.301 61.811 62.100 0.019 0.000 1.096 358 T CB 0.544 69.418 68.868 0.011 0.000 1.024 358 T HN 0.649 nan 8.240 nan 0.000 0.477 359 C N 4.600 123.910 119.300 0.017 0.000 2.397 359 C HA 0.729 5.188 4.460 -0.001 0.000 0.325 359 C C -0.321 174.670 174.990 0.002 0.000 1.201 359 C CA -0.702 58.324 59.018 0.013 0.000 1.377 359 C CB 0.385 28.141 27.740 0.027 0.000 2.038 359 C HN 0.928 nan 8.230 nan 0.000 0.457 360 R N 4.110 124.609 120.500 -0.002 0.000 2.445 360 R HA 0.415 4.754 4.340 -0.001 0.000 0.308 360 R C -0.276 176.020 176.300 -0.007 0.000 0.961 360 R CA -0.279 55.818 56.100 -0.006 0.000 0.862 360 R CB 1.175 31.471 30.300 -0.006 0.000 1.144 360 R HN 0.802 nan 8.270 nan 0.000 0.447 361 E N 1.435 121.628 120.200 -0.011 0.000 2.354 361 E HA 0.127 4.476 4.350 -0.001 0.000 0.269 361 E C -0.578 176.018 176.600 -0.007 0.000 1.036 361 E CA 0.184 56.577 56.400 -0.012 0.000 0.876 361 E CB 1.681 31.369 29.700 -0.020 0.000 1.009 361 E HN 0.385 nan 8.360 nan 0.000 0.416 362 T N 2.044 116.597 114.554 -0.002 0.000 2.896 362 T HA 0.239 4.589 4.350 -0.001 0.000 0.297 362 T C -1.963 172.740 174.700 0.006 0.000 1.108 362 T CA -1.718 60.383 62.100 0.002 0.000 1.004 362 T CB 1.479 70.350 68.868 0.005 0.000 1.159 362 T HN 0.176 nan 8.240 nan 0.000 0.499 363 P HA -0.098 nan 4.420 nan 0.000 0.216 363 P C 0.661 177.973 177.300 0.020 0.000 1.154 363 P CA 1.158 64.265 63.100 0.012 0.000 0.865 363 P CB 0.252 31.959 31.700 0.011 0.000 0.789 364 D N -2.289 118.125 120.400 0.024 0.000 2.349 364 D HA 0.217 4.857 4.640 -0.001 0.000 0.214 364 D C 1.095 177.419 176.300 0.040 0.000 1.063 364 D CA 0.515 54.537 54.000 0.036 0.000 0.847 364 D CB 0.274 41.095 40.800 0.036 0.000 0.933 364 D HN 0.154 nan 8.370 nan 0.000 0.513 365 G N -0.641 108.176 108.800 0.027 0.000 2.579 365 G HA2 0.171 4.130 3.960 -0.001 0.000 0.080 365 G HA3 0.171 4.130 3.960 -0.001 0.000 0.080 365 G C -1.571 173.338 174.900 0.014 0.000 1.040 365 G CA -0.619 44.496 45.100 0.025 0.000 1.118 365 G HN 0.082 nan 8.290 nan 0.000 0.485 366 L N 0.451 121.684 121.223 0.016 0.000 2.422 366 L HA 0.720 5.059 4.340 -0.001 0.000 0.264 366 L C -0.857 176.012 176.870 -0.002 0.000 0.984 366 L CA -1.088 53.757 54.840 0.008 0.000 0.819 366 L CB 2.527 44.596 42.059 0.017 0.000 1.330 366 L HN 0.342 nan 8.230 nan 0.000 0.410 367 V N 4.049 123.958 119.914 -0.009 0.000 2.378 367 V HA 0.485 4.604 4.120 -0.001 0.000 0.288 367 V C -0.197 175.882 176.094 -0.025 0.000 1.016 367 V CA -0.263 62.023 62.300 -0.022 0.000 0.840 367 V CB 1.869 33.682 31.823 -0.017 0.000 0.994 367 V HN 0.479 nan 8.190 nan 0.000 0.431 368 I N 3.638 124.181 120.570 -0.046 0.000 2.433 368 I HA 0.416 4.585 4.170 -0.001 0.000 0.292 368 I C 0.152 176.240 176.117 -0.048 0.000 1.001 368 I CA -0.152 61.127 61.300 -0.036 0.000 1.119 368 I CB 2.242 40.223 38.000 -0.032 0.000 1.289 368 I HN 0.470 nan 8.210 nan 0.000 0.438 369 T N 5.758 120.297 114.554 -0.024 0.000 2.743 369 T HA 0.474 4.824 4.350 -0.001 0.000 0.292 369 T C 0.211 174.903 174.700 -0.013 0.000 0.972 369 T CA -0.486 61.600 62.100 -0.023 0.000 0.967 369 T CB 1.081 69.941 68.868 -0.014 0.000 0.926 369 T HN 0.654 nan 8.240 nan 0.000 0.459 370 A N 3.788 126.595 122.820 -0.020 0.000 2.520 370 A HA 0.552 4.871 4.320 -0.001 0.000 0.245 370 A C 0.839 178.419 177.584 -0.008 0.000 1.072 370 A CA -0.173 51.857 52.037 -0.011 0.000 0.761 370 A CB -0.165 18.819 19.000 -0.027 0.000 1.004 370 A HN 0.888 nan 8.150 nan 0.000 0.499 371 T N 0.704 115.261 114.554 0.004 0.000 2.889 371 T HA 0.664 5.014 4.350 -0.001 0.000 0.315 371 T C -3.305 171.402 174.700 0.011 0.000 1.291 371 T CA -1.518 60.584 62.100 0.004 0.000 1.028 371 T CB 1.359 70.232 68.868 0.009 0.000 1.235 371 T HN 0.329 nan 8.240 nan 0.000 0.491 372 P HA 0.390 nan 4.420 nan 0.000 0.265 372 P C -0.680 176.634 177.300 0.023 0.000 1.193 372 P CA -0.315 62.791 63.100 0.011 0.000 0.765 372 P CB 0.303 32.006 31.700 0.005 0.000 0.823 373 L N 2.831 124.072 121.223 0.030 0.000 2.331 373 L HA 0.687 5.026 4.340 -0.001 0.000 0.268 373 L C 0.913 177.807 176.870 0.040 0.000 1.015 373 L CA -1.023 53.845 54.840 0.045 0.000 0.807 373 L CB 1.481 43.577 42.059 0.062 0.000 1.293 373 L HN 0.416 nan 8.230 nan 0.000 0.451 374 R N -0.336 120.194 120.500 0.049 0.000 2.912 374 R HA 0.706 5.045 4.340 -0.001 0.000 0.262 374 R C -2.882 173.449 176.300 0.051 0.000 1.057 374 R CA -1.956 54.168 56.100 0.041 0.000 0.981 374 R CB 0.402 30.723 30.300 0.035 0.000 1.201 374 R HN 0.142 nan 8.270 nan 0.000 0.484 375 P HA 0.305 nan 4.420 nan 0.000 0.269 375 P C -0.486 176.848 177.300 0.057 0.000 1.215 375 P CA 0.079 63.205 63.100 0.044 0.000 0.780 375 P CB 0.866 32.583 31.700 0.027 0.000 0.898 376 G N 0.328 109.171 108.800 0.071 0.000 2.313 376 G HA2 0.329 4.288 3.960 -0.001 0.000 0.296 376 G HA3 0.329 4.288 3.960 -0.001 0.000 0.296 376 G C -1.737 173.228 174.900 0.107 0.000 1.356 376 G CA -0.782 44.365 45.100 0.079 0.000 0.833 376 G HN 0.389 nan 8.290 nan 0.000 0.552 377 I N 1.388 122.013 120.570 0.093 0.000 2.297 377 I HA 0.237 4.406 4.170 -0.001 0.000 0.291 377 I C -0.161 176.039 176.117 0.137 0.000 1.033 377 I CA -0.482 60.880 61.300 0.105 0.000 1.253 377 I CB 1.132 39.160 38.000 0.046 0.000 1.396 377 I HN 0.501 nan 8.210 nan 0.000 0.476 378 W N 8.273 129.572 121.300 -0.000 0.000 2.358 378 W HA 0.310 4.969 4.660 -0.001 0.000 0.307 378 W C -0.337 176.145 176.519 -0.060 0.000 1.203 378 W CA -0.736 56.605 57.345 -0.008 0.000 1.279 378 W CB 0.709 30.182 29.460 0.022 0.000 1.264 378 W HN 0.513 nan 8.180 nan 0.000 0.474 379 R N 4.084 124.333 120.500 -0.419 0.000 2.390 379 R HA 0.308 4.648 4.340 -0.001 0.000 0.291 379 R C 0.893 176.913 176.300 -0.467 0.000 1.070 379 R CA 0.147 55.937 56.100 -0.517 0.000 1.014 379 R CB 1.271 31.007 30.300 -0.939 0.000 1.007 379 R HN 0.595 nan 8.270 nan 0.000 0.466 380 A N 2.782 125.464 122.820 -0.229 0.000 2.147 380 A HA 0.031 4.350 4.320 -0.001 0.000 0.211 380 A C -0.098 177.500 177.584 0.023 0.000 1.160 380 A CA -0.001 52.026 52.037 -0.017 0.000 0.781 380 A CB -0.176 18.835 19.000 0.018 0.000 0.842 380 A HN 0.911 nan 8.150 nan 0.000 0.475 381 Y N -2.421 117.837 120.300 -0.070 0.000 3.589 381 Y HA -0.232 4.318 4.550 -0.001 0.000 0.218 381 Y C 1.179 177.043 175.900 -0.060 0.000 1.234 381 Y CA 0.664 58.719 58.100 -0.074 0.000 1.576 381 Y CB -2.442 35.961 38.460 -0.095 0.000 1.487 381 Y HN 1.286 nan 8.280 nan 0.000 0.616 382 A N -0.773 122.059 122.820 0.019 0.000 2.832 382 A HA -0.240 4.079 4.320 -0.001 0.000 0.280 382 A C 0.138 177.730 177.584 0.013 0.000 1.464 382 A CA 1.493 53.533 52.037 0.004 0.000 0.804 382 A CB -1.419 17.582 19.000 0.002 0.000 1.020 382 A HN 0.698 nan 8.150 nan 0.000 0.563 383 D N -2.748 117.669 120.400 0.028 0.000 2.492 383 D HA 0.550 5.190 4.640 -0.001 0.000 0.248 383 D C 0.822 177.129 176.300 0.011 0.000 1.101 383 D CA -0.213 53.801 54.000 0.023 0.000 0.840 383 D CB 0.899 41.714 40.800 0.024 0.000 1.209 383 D HN 0.391 nan 8.370 nan 0.000 0.524 384 H N 4.088 123.106 119.070 -0.088 0.000 2.321 384 H HA -0.039 4.516 4.556 -0.001 0.000 0.300 384 H C 1.426 176.650 175.328 -0.175 0.000 1.087 384 H CA 1.938 57.891 56.048 -0.160 0.000 1.319 384 H CB 0.369 30.042 29.762 -0.149 0.000 1.379 384 H HN 0.375 nan 8.280 nan 0.000 0.501 385 R N -0.696 119.565 120.500 -0.399 0.000 2.096 385 R HA -0.096 4.244 4.340 -0.001 0.000 0.235 385 R C 2.403 178.591 176.300 -0.188 0.000 1.127 385 R CA 1.577 57.452 56.100 -0.375 0.000 0.968 385 R CB -0.084 30.112 30.300 -0.173 0.000 0.861 385 R HN 0.358 nan 8.270 nan 0.000 0.440 386 M N 0.064 119.640 119.600 -0.040 0.000 2.117 386 M HA -0.076 4.403 4.480 -0.001 0.000 0.262 386 M C 2.425 178.847 176.300 0.203 0.000 1.065 386 M CA 1.555 56.949 55.300 0.156 0.000 1.114 386 M CB -0.919 31.799 32.600 0.195 0.000 1.361 386 M HN 0.214 nan 8.290 nan 0.000 0.408 387 A N 0.061 122.875 122.820 -0.009 0.000 1.902 387 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 387 A C 2.248 179.636 177.584 -0.326 0.000 1.181 387 A CA 1.562 53.536 52.037 -0.106 0.000 0.623 387 A CB -0.567 18.304 19.000 -0.215 0.000 0.818 387 A HN 0.475 nan 8.150 nan 0.000 0.443 388 M N -0.623 118.676 119.600 -0.501 0.000 2.175 388 M HA -0.130 4.349 4.480 -0.001 0.000 0.264 388 M C 2.530 178.582 176.300 -0.414 0.000 1.063 388 M CA 1.262 56.185 55.300 -0.628 0.000 1.119 388 M CB -0.445 31.733 32.600 -0.703 0.000 1.377 388 M HN 0.497 nan 8.290 nan 0.000 0.415 389 A N 0.660 123.320 122.820 -0.266 0.000 1.908 389 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 389 A C 2.341 179.561 177.584 -0.608 0.000 1.181 389 A CA 2.012 53.909 52.037 -0.233 0.000 0.627 389 A CB -1.528 17.491 19.000 0.033 0.000 0.818 389 A HN 0.550 nan 8.150 nan 0.000 0.445 390 G N -0.732 107.490 108.800 -0.963 0.000 2.422 390 G HA2 0.038 3.997 3.960 -0.001 0.000 0.218 390 G HA3 0.038 3.997 3.960 -0.001 0.000 0.218 390 G C 1.698 176.247 174.900 -0.584 0.000 1.146 390 G CA 1.343 45.544 45.100 -1.499 0.000 0.769 390 G HN 0.799 nan 8.290 nan 0.000 0.547 391 A N 0.771 123.380 122.820 -0.352 0.000 1.902 391 A HA 0.052 4.372 4.320 -0.001 0.000 0.217 391 A C 2.377 179.961 177.584 -0.000 0.000 1.181 391 A CA 1.221 53.161 52.037 -0.161 0.000 0.623 391 A CB -0.326 18.315 19.000 -0.599 0.000 0.818 391 A HN 0.378 nan 8.150 nan 0.000 0.443 392 I N -0.444 120.080 120.570 -0.078 0.000 2.179 392 I HA -0.263 3.906 4.170 -0.001 0.000 0.242 392 I C 2.292 178.426 176.117 0.029 0.000 1.088 392 I CA 1.388 62.759 61.300 0.118 0.000 1.357 392 I CB -0.332 37.700 38.000 0.052 0.000 1.051 392 I HN 0.287 nan 8.210 nan 0.000 0.409 393 I N 0.760 121.237 120.570 -0.155 0.000 2.208 393 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 393 I C 2.592 178.669 176.117 -0.067 0.000 1.097 393 I CA 1.690 62.899 61.300 -0.151 0.000 1.363 393 I CB -0.802 36.999 38.000 -0.331 0.000 1.051 393 I HN 0.283 nan 8.210 nan 0.000 0.413 394 G N 0.633 109.395 108.800 -0.064 0.000 2.470 394 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.220 394 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.220 394 G C 1.677 176.604 174.900 0.044 0.000 1.121 394 G CA 0.322 45.419 45.100 -0.004 0.000 0.766 394 G HN 0.302 nan 8.290 nan 0.000 0.553 395 L N -0.649 120.634 121.223 0.100 0.000 2.131 395 L HA -0.007 4.332 4.340 -0.001 0.000 0.210 395 L C 2.910 179.802 176.870 0.037 0.000 1.092 395 L CA 0.916 55.808 54.840 0.086 0.000 0.759 395 L CB -0.118 42.008 42.059 0.111 0.000 0.903 395 L HN 0.111 nan 8.230 nan 0.000 0.435 396 R N -1.216 119.303 120.500 0.031 0.000 2.344 396 R HA 0.244 4.583 4.340 -0.001 0.000 0.209 396 R C -0.287 176.018 176.300 0.009 0.000 0.886 396 R CA 0.235 56.346 56.100 0.018 0.000 1.040 396 R CB 1.034 31.348 30.300 0.023 0.000 1.114 396 R HN 0.059 nan 8.270 nan 0.000 0.547 397 V N 1.885 121.803 119.914 0.007 0.000 2.350 397 V HA 0.419 4.538 4.120 -0.001 0.000 0.285 397 V C 0.125 176.220 176.094 0.002 0.000 1.014 397 V CA -1.214 61.090 62.300 0.007 0.000 0.831 397 V CB 1.250 33.081 31.823 0.014 0.000 1.000 397 V HN 0.147 nan 8.190 nan 0.000 0.433 398 A N 3.575 126.394 122.820 -0.001 0.000 2.498 398 A HA 0.550 4.870 4.320 -0.001 0.000 0.239 398 A C 1.472 179.053 177.584 -0.004 0.000 1.068 398 A CA 0.746 52.778 52.037 -0.009 0.000 0.766 398 A CB -0.126 18.868 19.000 -0.009 0.000 1.003 398 A HN 2.235 nan 8.150 nan 0.000 0.497 399 G N 0.668 109.459 108.800 -0.014 0.000 2.143 399 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.249 399 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.249 399 G C 0.139 175.046 174.900 0.012 0.000 0.981 399 G CA 0.080 45.177 45.100 -0.005 0.000 0.665 399 G HN 1.352 nan 8.290 nan 0.000 0.528 400 V N 0.782 120.702 119.914 0.010 0.000 2.530 400 V HA 0.497 4.617 4.120 -0.001 0.000 0.282 400 V C 0.383 176.497 176.094 0.033 0.000 1.048 400 V CA 0.062 62.387 62.300 0.042 0.000 0.997 400 V CB 1.446 33.283 31.823 0.024 0.000 0.987 400 V HN 0.404 nan 8.190 nan 0.000 0.477 401 E N 3.290 123.545 120.200 0.091 0.000 2.224 401 E HA 0.463 4.812 4.350 -0.001 0.000 0.265 401 E C -1.295 175.432 176.600 0.213 0.000 0.878 401 E CA -0.725 55.742 56.400 0.112 0.000 0.759 401 E CB 2.497 32.244 29.700 0.079 0.000 1.164 401 E HN 0.420 nan 8.360 nan 0.000 0.414 402 V N 3.743 123.844 119.914 0.312 0.000 2.530 402 V HA -0.058 4.062 4.120 -0.001 0.000 0.282 402 V C 1.131 177.360 176.094 0.225 0.000 1.048 402 V CA 0.034 62.530 62.300 0.326 0.000 0.997 402 V CB 0.950 32.985 31.823 0.354 0.000 0.987 402 V HN 0.816 nan 8.190 nan 0.000 0.477 403 D N 2.795 123.275 120.400 0.134 0.000 2.117 403 D HA -0.107 4.532 4.640 -0.001 0.000 0.197 403 D C 0.469 176.801 176.300 0.054 0.000 0.987 403 D CA 1.053 55.088 54.000 0.059 0.000 0.829 403 D CB 0.135 40.916 40.800 -0.030 0.000 0.961 403 D HN 0.559 nan 8.370 nan 0.000 0.460 404 D N -1.358 119.060 120.400 0.031 0.000 2.616 404 D HA 0.154 4.794 4.640 -0.001 0.000 0.238 404 D C -0.274 176.002 176.300 -0.041 0.000 1.354 404 D CA -0.670 53.335 54.000 0.007 0.000 0.970 404 D CB 1.106 41.895 40.800 -0.018 0.000 1.369 404 D HN -0.048 nan 8.370 nan 0.000 0.585 405 I N 3.378 123.900 120.570 -0.080 0.000 3.428 405 I HA 0.175 4.345 4.170 -0.001 0.000 0.286 405 I C 1.880 177.896 176.117 -0.168 0.000 1.287 405 I CA 0.757 61.912 61.300 -0.241 0.000 1.396 405 I CB 0.011 37.700 38.000 -0.520 0.000 1.062 405 I HN 0.517 nan 8.210 nan 0.000 0.471 406 A N 0.465 123.232 122.820 -0.089 0.000 2.125 406 A HA -0.085 4.234 4.320 -0.001 0.000 0.219 406 A C 2.470 180.012 177.584 -0.069 0.000 1.156 406 A CA 1.382 53.380 52.037 -0.066 0.000 0.671 406 A CB -0.904 18.074 19.000 -0.037 0.000 0.794 406 A HN 0.487 nan 8.150 nan 0.000 0.459 407 A N -1.272 121.505 122.820 -0.071 0.000 1.972 407 A HA -0.077 4.242 4.320 -0.001 0.000 0.219 407 A C 2.254 179.806 177.584 -0.053 0.000 1.169 407 A CA 2.278 54.284 52.037 -0.051 0.000 0.635 407 A CB -0.750 18.225 19.000 -0.041 0.000 0.810 407 A HN 0.403 nan 8.150 nan 0.000 0.446 408 T N -0.927 113.567 114.554 -0.100 0.000 3.010 408 T HA -0.037 4.312 4.350 -0.001 0.000 0.252 408 T C 2.183 176.772 174.700 -0.185 0.000 1.047 408 T CA 1.634 63.656 62.100 -0.130 0.000 1.140 408 T CB -0.278 68.464 68.868 -0.209 0.000 0.885 408 T HN 0.778 nan 8.240 nan 0.000 0.464 409 T N 0.319 114.802 114.554 -0.117 0.000 2.962 409 T HA 0.024 4.373 4.350 -0.001 0.000 0.270 409 T C 1.829 176.484 174.700 -0.075 0.000 1.088 409 T CA 0.904 62.961 62.100 -0.071 0.000 1.127 409 T CB -0.223 68.620 68.868 -0.041 0.000 0.883 409 T HN 0.184 nan 8.240 nan 0.000 0.493 410 K N 0.756 121.106 120.400 -0.083 0.000 2.148 410 K HA 0.019 4.338 4.320 -0.001 0.000 0.204 410 K C 2.441 178.985 176.600 -0.094 0.000 1.050 410 K CA 1.645 57.890 56.287 -0.070 0.000 0.942 410 K CB -0.254 32.213 32.500 -0.055 0.000 0.724 410 K HN 0.380 nan 8.250 nan 0.000 0.446 411 T N -0.057 114.400 114.554 -0.162 0.000 2.939 411 T HA 0.058 4.408 4.350 -0.001 0.000 0.254 411 T C -0.089 174.487 174.700 -0.208 0.000 1.041 411 T CA 0.515 62.486 62.100 -0.215 0.000 1.142 411 T CB 0.192 68.817 68.868 -0.405 0.000 0.874 411 T HN -0.042 nan 8.240 nan 0.000 0.452 412 L N 2.444 123.525 121.223 -0.236 0.000 2.470 412 L HA 0.440 4.779 4.340 -0.001 0.000 0.253 412 L C -2.417 174.455 176.870 0.003 0.000 1.163 412 L CA -2.429 52.351 54.840 -0.100 0.000 0.932 412 L CB 1.607 43.605 42.059 -0.101 0.000 1.213 412 L HN -0.196 nan 8.230 nan 0.000 0.485 413 P HA -0.157 nan 4.420 nan 0.000 0.217 413 P C 0.492 177.836 177.300 0.074 0.000 1.148 413 P CA 1.316 64.433 63.100 0.028 0.000 0.828 413 P CB 0.431 32.141 31.700 0.016 0.000 0.783 414 E N -2.189 118.072 120.200 0.101 0.000 2.481 414 E HA -0.039 4.311 4.350 -0.001 0.000 0.195 414 E C 1.437 178.144 176.600 0.179 0.000 1.047 414 E CA 0.085 56.555 56.400 0.118 0.000 0.867 414 E CB -1.055 28.702 29.700 0.094 0.000 0.858 414 E HN 0.256 nan 8.360 nan 0.000 0.513 415 F N 2.106 122.121 119.950 0.109 0.000 2.069 415 F HA -0.083 4.443 4.527 -0.001 0.000 0.298 415 F C -0.966 174.961 175.800 0.212 0.000 1.113 415 F CA 1.076 59.193 58.000 0.194 0.000 1.214 415 F CB -0.882 38.168 39.000 0.083 0.000 0.978 415 F HN 0.035 nan 8.300 nan 0.000 0.474 416 P HA -0.164 nan 4.420 nan 0.000 0.217 416 P C 1.436 178.846 177.300 0.183 0.000 1.150 416 P CA 1.728 64.887 63.100 0.098 0.000 0.832 416 P CB -0.253 31.511 31.700 0.108 0.000 0.787 417 R N -0.134 120.448 120.500 0.137 0.000 2.073 417 R HA -0.020 4.320 4.340 -0.001 0.000 0.229 417 R C 2.201 178.571 176.300 0.116 0.000 1.120 417 R CA 1.057 57.236 56.100 0.130 0.000 0.967 417 R CB -0.817 29.543 30.300 0.099 0.000 0.862 417 R HN 0.159 nan 8.270 nan 0.000 0.436 418 L N -0.354 120.935 121.223 0.111 0.000 2.046 418 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 418 L C 2.474 179.477 176.870 0.222 0.000 1.077 418 L CA 1.190 56.111 54.840 0.135 0.000 0.747 418 L CB -0.597 41.555 42.059 0.154 0.000 0.896 418 L HN 0.461 nan 8.230 nan 0.000 0.432 419 W N 0.955 122.204 121.300 -0.086 0.000 2.355 419 W HA -0.242 4.418 4.660 -0.001 0.000 0.309 419 W C 2.459 178.975 176.519 -0.004 0.000 1.206 419 W CA 1.753 59.006 57.345 -0.153 0.000 1.284 419 W CB -0.008 29.131 29.460 -0.534 0.000 1.145 419 W HN 0.183 nan 8.180 nan 0.000 0.502 420 A N 0.702 123.660 122.820 0.231 0.000 1.902 420 A HA -0.243 4.077 4.320 -0.001 0.000 0.217 420 A C 1.795 179.389 177.584 0.017 0.000 1.181 420 A CA 1.908 54.015 52.037 0.116 0.000 0.623 420 A CB -0.948 18.144 19.000 0.153 0.000 0.818 420 A HN 0.472 nan 8.150 nan 0.000 0.443 421 E N -0.861 119.358 120.200 0.032 0.000 2.110 421 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 421 E C 2.036 178.615 176.600 -0.035 0.000 0.988 421 E CA 1.312 57.715 56.400 0.005 0.000 0.804 421 E CB -0.299 29.413 29.700 0.020 0.000 0.745 421 E HN 0.789 nan 8.360 nan 0.000 0.458 422 M N 1.191 120.755 119.600 -0.060 0.000 2.132 422 M HA -0.070 4.410 4.480 -0.001 0.000 0.263 422 M C 0.619 176.816 176.300 -0.172 0.000 1.065 422 M CA 1.059 56.290 55.300 -0.115 0.000 1.122 422 M CB 0.260 32.768 32.600 -0.154 0.000 1.365 422 M HN -0.191 nan 8.290 nan 0.000 0.411 423 V N 1.623 121.397 119.914 -0.234 0.000 2.811 423 V HA 0.570 4.690 4.120 -0.001 0.000 0.302 423 V C 0.660 176.688 176.094 -0.109 0.000 1.063 423 V CA 0.365 62.543 62.300 -0.202 0.000 1.088 423 V CB 0.613 32.302 31.823 -0.223 0.000 0.982 423 V HN 0.649 nan 8.190 nan 0.000 0.485 424 G N 0.000 108.747 108.800 -0.089 0.000 5.446 424 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 424 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 424 G CA 0.000 nan 45.100 nan 0.000 0.502 424 G HN 0.000 nan 8.290 nan 0.000 0.925