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 1vcw_1_A DATA FIRST_RESID 42 DATA SEQUENCE MTPASYNLAV RRAAPAVVNV YNRGLNTNSH NQLEIRTLGS GVIMDQRGYI DATA SEQUENCE ITNKHVINDA DQIIVALQDG RVFEALLVGS DSLTDLAVLK INATGGLPTI DATA SEQUENCE PINARRVPHI GDVVLAIGNP YNLGQTITQG IISATGRIGL NPTGRQNFLQ DATA SEQUENCE TDASINHGNS GGALVNSLGE LMGINTLSFD KSNDGETPEG IGFAIPFQLA DATA SEQUENCE TKIMDKLIRD GRVIRGYIGI GGRXXXXXXX XXXXXXXXXG IVVNEVSPDG DATA SEQUENCE PAANAGIQVN DLIISVDNKP AISALETMDQ VAEIRPGSVI PVVVXXXXXQ DATA SEQUENCE LTLQVTIQEY PA 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 42 M HA 0.000 nan 4.480 nan 0.000 0.227 42 M C 0.000 176.288 176.300 -0.019 0.000 1.140 42 M CA 0.000 55.290 55.300 -0.016 0.000 0.988 42 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 43 T N 1.335 115.875 114.554 -0.025 0.000 2.861 43 T HA 0.722 5.072 4.350 0.000 0.000 0.287 43 T C -2.628 172.048 174.700 -0.039 0.000 1.003 43 T CA -0.957 61.125 62.100 -0.030 0.000 0.977 43 T CB 1.299 70.148 68.868 -0.032 0.000 0.996 43 T HN 0.348 nan 8.240 nan 0.000 0.448 44 P HA 0.510 nan 4.420 nan 0.000 0.271 44 P C -0.723 176.529 177.300 -0.081 0.000 1.218 44 P CA -0.673 62.396 63.100 -0.051 0.000 0.780 44 P CB 0.238 31.913 31.700 -0.042 0.000 0.901 45 A N 1.608 124.368 122.820 -0.100 0.000 2.511 45 A HA 0.474 4.794 4.320 0.000 0.000 0.242 45 A C 0.441 177.884 177.584 -0.235 0.000 1.069 45 A CA 0.452 52.388 52.037 -0.168 0.000 0.763 45 A CB -0.473 18.431 19.000 -0.160 0.000 1.001 45 A HN 0.614 nan 8.150 nan 0.000 0.498 46 S N 1.141 116.630 115.700 -0.353 0.000 2.565 46 S HA 0.525 4.995 4.470 0.000 0.000 0.274 46 S C -0.979 173.361 174.600 -0.435 0.000 1.144 46 S CA -0.543 57.447 58.200 -0.351 0.000 0.849 46 S CB 0.430 63.545 63.200 -0.141 0.000 1.103 46 S HN 0.587 nan 8.310 nan 0.000 0.455 47 Y N 2.746 123.042 120.300 -0.007 0.000 2.681 47 Y HA 0.392 4.942 4.550 0.000 0.000 0.267 47 Y C 2.039 177.933 175.900 -0.011 0.000 1.166 47 Y CA -0.471 57.623 58.100 -0.010 0.000 1.209 47 Y CB 0.097 38.550 38.460 -0.010 0.000 1.161 47 Y HN 0.753 nan 8.280 nan 0.000 0.534 48 N N 1.077 119.823 118.700 0.076 0.000 2.205 48 N HA -0.192 4.548 4.740 0.000 0.000 0.186 48 N C 1.897 177.432 175.510 0.041 0.000 1.015 48 N CA 1.064 54.143 53.050 0.050 0.000 0.862 48 N CB 0.044 38.541 38.487 0.017 0.000 0.986 48 N HN 0.466 nan 8.380 nan 0.000 0.429 49 L N 1.484 122.729 121.223 0.037 0.000 2.042 49 L HA -0.096 4.244 4.340 0.000 0.000 0.210 49 L C 2.386 179.273 176.870 0.029 0.000 1.076 49 L CA 1.994 56.850 54.840 0.026 0.000 0.749 49 L CB -0.955 41.117 42.059 0.022 0.000 0.893 49 L HN 0.188 nan 8.230 nan 0.000 0.432 50 A N -1.242 121.609 122.820 0.053 0.000 1.902 50 A HA -0.127 4.193 4.320 0.000 0.000 0.217 50 A C 2.249 179.844 177.584 0.017 0.000 1.181 50 A CA 1.908 53.964 52.037 0.032 0.000 0.623 50 A CB -1.084 17.943 19.000 0.046 0.000 0.818 50 A HN 0.310 nan 8.150 nan 0.000 0.443 51 V N 0.195 120.128 119.914 0.032 0.000 2.295 51 V HA -0.292 3.828 4.120 0.000 0.000 0.246 51 V C 2.655 178.755 176.094 0.009 0.000 1.049 51 V CA 2.283 64.594 62.300 0.019 0.000 1.024 51 V CB -0.864 30.977 31.823 0.031 0.000 0.648 51 V HN 0.519 nan 8.190 nan 0.000 0.447 52 R N -0.099 120.408 120.500 0.011 0.000 2.083 52 R HA -0.138 4.202 4.340 0.000 0.000 0.237 52 R C 2.507 178.806 176.300 -0.002 0.000 1.137 52 R CA 1.626 57.729 56.100 0.005 0.000 0.951 52 R CB -0.374 29.929 30.300 0.005 0.000 0.851 52 R HN 0.484 nan 8.270 nan 0.000 0.434 53 R N -0.370 120.127 120.500 -0.004 0.000 2.148 53 R HA -0.009 4.331 4.340 0.000 0.000 0.223 53 R C 1.811 178.099 176.300 -0.020 0.000 1.088 53 R CA 1.249 57.342 56.100 -0.012 0.000 0.985 53 R CB 0.093 30.384 30.300 -0.015 0.000 0.880 53 R HN 0.206 nan 8.270 nan 0.000 0.451 54 A N -0.101 122.706 122.820 -0.020 0.000 2.138 54 A HA 0.355 4.675 4.320 0.000 0.000 0.203 54 A C 2.026 179.595 177.584 -0.024 0.000 1.286 54 A CA 0.400 52.420 52.037 -0.029 0.000 0.929 54 A CB 0.012 18.988 19.000 -0.039 0.000 0.975 54 A HN 0.213 nan 8.150 nan 0.000 0.480 55 A N 1.299 124.109 122.820 -0.016 0.000 1.917 55 A HA -0.080 4.241 4.320 0.000 0.000 0.219 55 A C -0.068 177.507 177.584 -0.014 0.000 1.182 55 A CA 2.197 54.227 52.037 -0.013 0.000 0.633 55 A CB -1.746 17.252 19.000 -0.004 0.000 0.819 55 A HN 0.413 nan 8.150 nan 0.000 0.448 56 P HA -0.060 nan 4.420 nan 0.000 0.223 56 P C 1.185 178.474 177.300 -0.019 0.000 1.144 56 P CA 1.532 64.626 63.100 -0.010 0.000 0.783 56 P CB 0.005 31.701 31.700 -0.007 0.000 0.771 57 A N -0.888 121.915 122.820 -0.027 0.000 2.147 57 A HA 0.130 4.450 4.320 0.000 0.000 0.211 57 A C 0.955 178.513 177.584 -0.043 0.000 1.160 57 A CA 0.150 52.164 52.037 -0.037 0.000 0.781 57 A CB -0.733 18.244 19.000 -0.038 0.000 0.842 57 A HN 0.163 nan 8.150 nan 0.000 0.475 58 V N -0.977 118.914 119.914 -0.039 0.000 2.649 58 V HA 0.642 4.762 4.120 0.000 0.000 0.292 58 V C -0.232 175.831 176.094 -0.051 0.000 1.055 58 V CA -0.622 61.650 62.300 -0.047 0.000 1.023 58 V CB 1.042 32.839 31.823 -0.042 0.000 0.992 58 V HN 0.055 nan 8.190 nan 0.000 0.480 59 V N 3.859 123.730 119.914 -0.072 0.000 3.113 59 V HA 0.474 4.594 4.120 0.000 0.000 0.316 59 V C 0.011 176.020 176.094 -0.141 0.000 1.125 59 V CA -0.966 61.281 62.300 -0.089 0.000 1.026 59 V CB 2.071 33.838 31.823 -0.094 0.000 1.080 59 V HN 1.014 nan 8.190 nan 0.000 0.444 60 N N 0.264 118.840 118.700 -0.206 0.000 2.422 60 N HA 0.546 5.286 4.740 0.000 0.000 0.266 60 N C -1.196 173.968 175.510 -0.577 0.000 1.007 60 N CA -0.385 52.428 53.050 -0.396 0.000 0.941 60 N CB 1.883 40.074 38.487 -0.493 0.000 1.115 60 N HN 0.362 nan 8.380 nan 0.000 0.492 61 V N 3.324 122.943 119.914 -0.492 0.000 2.435 61 V HA 0.316 4.436 4.120 0.000 0.000 0.290 61 V C -0.836 175.019 176.094 -0.399 0.000 1.030 61 V CA -0.549 61.527 62.300 -0.372 0.000 0.881 61 V CB 0.486 32.194 31.823 -0.192 0.000 0.983 61 V HN 0.578 nan 8.190 nan 0.000 0.445 62 Y N 2.859 123.156 120.300 -0.005 0.000 2.331 62 Y HA 0.369 4.919 4.550 0.000 0.000 0.334 62 Y C 0.418 176.317 175.900 -0.001 0.000 0.960 62 Y CA -0.522 57.578 58.100 -0.001 0.000 1.130 62 Y CB 1.417 39.882 38.460 0.008 0.000 1.164 62 Y HN 0.653 nan 8.280 nan 0.000 0.458 63 N N 4.074 122.864 118.700 0.150 0.000 2.420 63 N HA 0.249 4.989 4.740 0.000 0.000 0.249 63 N C -1.016 174.541 175.510 0.079 0.000 1.033 63 N CA -0.566 52.535 53.050 0.085 0.000 0.944 63 N CB 0.415 38.935 38.487 0.054 0.000 1.113 63 N HN 0.598 nan 8.380 nan 0.000 0.502 64 R N 2.566 123.106 120.500 0.065 0.000 2.310 64 R HA 0.339 4.679 4.340 0.000 0.000 0.324 64 R C -0.042 176.276 176.300 0.031 0.000 0.955 64 R CA -0.773 55.352 56.100 0.043 0.000 0.830 64 R CB 1.788 32.111 30.300 0.038 0.000 1.154 64 R HN 0.489 nan 8.270 nan 0.000 0.458 65 G N 1.640 110.454 108.800 0.024 0.000 2.434 65 G HA2 0.381 4.341 3.960 0.000 0.000 0.330 65 G HA3 0.381 4.341 3.960 0.000 0.000 0.330 65 G C 0.641 175.549 174.900 0.014 0.000 1.155 65 G CA -0.621 44.490 45.100 0.019 0.000 0.917 65 G HN 0.484 nan 8.290 nan 0.000 0.493 66 L N 0.242 121.472 121.223 0.013 0.000 2.168 66 L HA 0.113 4.453 4.340 0.000 0.000 0.203 66 L C 1.722 178.596 176.870 0.007 0.000 1.078 66 L CA 0.395 55.242 54.840 0.012 0.000 0.780 66 L CB 0.074 42.140 42.059 0.013 0.000 0.939 66 L HN 0.488 nan 8.230 nan 0.000 0.451 67 N N -0.586 118.116 118.700 0.003 0.000 2.843 67 N HA -0.016 4.724 4.740 0.000 0.000 0.284 67 N C 0.675 176.179 175.510 -0.009 0.000 1.274 67 N CA 0.249 53.297 53.050 -0.004 0.000 1.045 67 N CB 0.146 38.632 38.487 -0.003 0.000 1.370 67 N HN 0.011 nan 8.380 nan 0.000 0.525 68 T N -1.474 113.074 114.554 -0.009 0.000 3.040 68 T HA 0.085 4.435 4.350 0.000 0.000 0.252 68 T C 0.062 174.744 174.700 -0.029 0.000 1.064 68 T CA 0.260 62.352 62.100 -0.013 0.000 1.110 68 T CB -0.088 68.778 68.868 -0.003 0.000 0.921 68 T HN 0.598 nan 8.240 nan 0.000 0.480 69 N N -0.362 118.314 118.700 -0.041 0.000 2.509 69 N HA 0.340 5.080 4.740 0.000 0.000 0.280 69 N C 0.726 176.158 175.510 -0.130 0.000 1.306 69 N CA -0.489 52.507 53.050 -0.090 0.000 0.782 69 N CB 0.884 39.323 38.487 -0.080 0.000 1.493 69 N HN -0.134 nan 8.380 nan 0.000 0.498 70 S N -1.748 113.796 115.700 -0.259 0.000 2.428 70 S HA -0.122 4.349 4.470 0.000 0.000 0.230 70 S C 0.649 175.135 174.600 -0.190 0.000 1.014 70 S CA 0.561 58.611 58.200 -0.250 0.000 0.957 70 S CB -0.656 62.361 63.200 -0.305 0.000 0.784 70 S HN 0.611 nan 8.310 nan 0.000 0.499 71 H N 2.735 121.803 119.070 -0.002 0.000 2.533 71 H HA 0.185 4.742 4.556 0.000 0.000 0.271 71 H C 0.028 175.354 175.328 -0.003 0.000 1.000 71 H CA 0.117 56.163 56.048 -0.003 0.000 1.149 71 H CB -1.154 28.606 29.762 -0.004 0.000 1.375 71 H HN 0.684 nan 8.280 nan 0.000 0.582 72 N N 1.471 120.202 118.700 0.052 0.000 2.726 72 N HA -0.256 4.484 4.740 0.000 0.000 0.287 72 N C -0.759 174.778 175.510 0.045 0.000 1.052 72 N CA 0.426 53.496 53.050 0.033 0.000 0.805 72 N CB -1.364 37.137 38.487 0.023 0.000 0.944 72 N HN 0.515 nan 8.380 nan 0.000 0.574 73 Q N -0.035 119.793 119.800 0.046 0.000 2.416 73 Q HA 0.531 4.871 4.340 0.000 0.000 0.279 73 Q C -0.069 175.945 176.000 0.022 0.000 1.101 73 Q CA -1.222 54.603 55.803 0.037 0.000 0.830 73 Q CB 1.598 30.364 28.738 0.047 0.000 1.402 73 Q HN 0.358 nan 8.270 nan 0.000 0.445 74 L N 1.738 122.970 121.223 0.015 0.000 2.456 74 L HA 0.160 4.500 4.340 0.000 0.000 0.277 74 L C 0.211 177.083 176.870 0.004 0.000 1.124 74 L CA 0.516 55.362 54.840 0.010 0.000 0.880 74 L CB -0.062 42.003 42.059 0.009 0.000 1.192 74 L HN 0.496 nan 8.230 nan 0.000 0.463 75 E N 3.035 123.237 120.200 0.005 0.000 2.244 75 E HA 0.405 4.755 4.350 0.000 0.000 0.266 75 E C -0.448 176.152 176.600 -0.001 0.000 0.914 75 E CA -0.948 55.450 56.400 -0.003 0.000 0.794 75 E CB 1.806 31.507 29.700 0.001 0.000 1.210 75 E HN 0.459 nan 8.360 nan 0.000 0.414 76 I N 4.658 125.220 120.570 -0.014 0.000 2.366 76 I HA 0.054 4.224 4.170 0.000 0.000 0.302 76 I C 1.525 177.656 176.117 0.023 0.000 1.194 76 I CA 0.088 61.386 61.300 -0.003 0.000 1.667 76 I CB -0.373 37.596 38.000 -0.052 0.000 1.501 76 I HN 0.363 nan 8.210 nan 0.000 0.776 77 R N 2.018 122.537 120.500 0.032 0.000 2.117 77 R HA -0.077 4.263 4.340 0.000 0.000 0.243 77 R C 0.344 176.675 176.300 0.053 0.000 1.143 77 R CA 1.195 57.316 56.100 0.035 0.000 0.968 77 R CB -0.339 29.982 30.300 0.034 0.000 0.863 77 R HN 0.544 nan 8.270 nan 0.000 0.444 78 T N -0.709 113.889 114.554 0.073 0.000 2.637 78 T HA 0.572 4.922 4.350 0.000 0.000 0.303 78 T C -1.638 173.136 174.700 0.124 0.000 1.288 78 T CA -0.835 61.324 62.100 0.097 0.000 1.040 78 T CB 1.532 70.455 68.868 0.091 0.000 1.644 78 T HN 0.131 nan 8.240 nan 0.000 0.480 79 L N -2.580 118.704 121.223 0.101 0.000 2.948 79 L HA 0.870 5.210 4.340 0.000 0.000 0.248 79 L C -0.562 176.280 176.870 -0.047 0.000 0.977 79 L CA -0.429 54.462 54.840 0.084 0.000 1.002 79 L CB 0.908 43.114 42.059 0.246 0.000 1.519 79 L HN 1.116 nan 8.230 nan 0.000 0.422 80 G N -0.137 108.592 108.800 -0.119 0.000 2.772 80 G HA2 0.835 4.795 3.960 0.000 0.000 0.284 80 G HA3 0.835 4.795 3.960 0.000 0.000 0.284 80 G C -1.501 173.292 174.900 -0.178 0.000 1.217 80 G CA -0.121 44.877 45.100 -0.171 0.000 0.831 80 G HN 0.846 nan 8.290 nan 0.000 0.523 81 S N -1.760 113.844 115.700 -0.159 0.000 2.634 81 S HA 0.896 5.366 4.470 0.000 0.000 0.296 81 S C -0.254 174.269 174.600 -0.128 0.000 1.104 81 S CA -0.113 58.003 58.200 -0.140 0.000 0.920 81 S CB 1.899 65.039 63.200 -0.099 0.000 1.111 81 S HN 1.475 nan 8.310 nan 0.000 0.493 82 G N -0.127 108.606 108.800 -0.112 0.000 2.696 82 G HA2 0.586 4.546 3.960 0.000 0.000 0.295 82 G HA3 0.586 4.546 3.960 0.000 0.000 0.295 82 G C -1.902 172.954 174.900 -0.073 0.000 1.398 82 G CA -0.501 44.543 45.100 -0.092 0.000 0.920 82 G HN 0.600 nan 8.290 nan 0.000 0.492 83 V N 2.136 122.017 119.914 -0.056 0.000 2.357 83 V HA 0.325 4.445 4.120 0.000 0.000 0.284 83 V C 0.327 176.398 176.094 -0.039 0.000 1.018 83 V CA -0.587 61.686 62.300 -0.046 0.000 0.841 83 V CB 1.309 33.111 31.823 -0.035 0.000 0.991 83 V HN 0.636 nan 8.190 nan 0.000 0.437 84 I N 6.435 126.976 120.570 -0.048 0.000 2.576 84 I HA 0.014 4.184 4.170 0.000 0.000 0.288 84 I C 1.367 177.471 176.117 -0.022 0.000 1.126 84 I CA -0.003 61.268 61.300 -0.048 0.000 1.362 84 I CB 0.815 38.769 38.000 -0.076 0.000 1.419 84 I HN 0.640 nan 8.210 nan 0.000 0.533 85 M N 4.030 123.636 119.600 0.010 0.000 2.236 85 M HA -0.002 4.479 4.480 0.000 0.000 0.266 85 M C 0.414 176.734 176.300 0.032 0.000 1.070 85 M CA 1.269 56.584 55.300 0.026 0.000 1.137 85 M CB -1.157 31.469 32.600 0.043 0.000 1.378 85 M HN 0.652 nan 8.290 nan 0.000 0.426 86 D N -2.340 118.092 120.400 0.053 0.000 2.615 86 D HA 0.151 4.791 4.640 0.000 0.000 0.267 86 D C -0.104 176.208 176.300 0.021 0.000 1.236 86 D CA -0.543 53.486 54.000 0.049 0.000 0.839 86 D CB 0.663 41.518 40.800 0.091 0.000 1.380 86 D HN -0.060 nan 8.370 nan 0.000 0.433 87 Q N -0.868 118.936 119.800 0.007 0.000 2.515 87 Q HA 0.086 4.426 4.340 0.000 0.000 0.212 87 Q C 1.248 177.222 176.000 -0.044 0.000 0.970 87 Q CA 0.644 56.433 55.803 -0.024 0.000 0.941 87 Q CB 0.064 28.792 28.738 -0.017 0.000 0.998 87 Q HN 0.306 nan 8.270 nan 0.000 0.518 88 R N -1.538 118.948 120.500 -0.023 0.000 2.240 88 R HA 0.038 4.378 4.340 0.000 0.000 0.203 88 R C 1.055 177.199 176.300 -0.261 0.000 1.011 88 R CA 0.762 56.807 56.100 -0.092 0.000 1.007 88 R CB 0.448 30.754 30.300 0.009 0.000 0.911 88 R HN 0.301 nan 8.270 nan 0.000 0.468 89 G N -0.498 108.160 108.800 -0.237 0.000 2.175 89 G HA2 -0.241 3.720 3.960 0.000 0.000 0.182 89 G HA3 -0.241 3.720 3.960 0.000 0.000 0.182 89 G C -0.382 174.325 174.900 -0.322 0.000 1.003 89 G CA -0.701 44.214 45.100 -0.308 0.000 0.666 89 G HN 0.248 nan 8.290 nan 0.000 0.506 90 Y N 0.615 120.872 120.300 -0.071 0.000 2.393 90 Y HA 0.610 5.160 4.550 0.000 0.000 0.338 90 Y C 1.157 177.017 175.900 -0.066 0.000 1.029 90 Y CA -0.374 57.691 58.100 -0.059 0.000 1.239 90 Y CB 0.697 39.133 38.460 -0.041 0.000 1.170 90 Y HN 0.096 nan 8.280 nan 0.000 0.515 91 I N 5.238 125.858 120.570 0.083 0.000 2.433 91 I HA 0.368 4.538 4.170 0.000 0.000 0.292 91 I C -0.319 175.808 176.117 0.017 0.000 1.001 91 I CA -0.692 60.615 61.300 0.012 0.000 1.119 91 I CB 1.664 39.639 38.000 -0.042 0.000 1.289 91 I HN 0.486 nan 8.210 nan 0.000 0.438 92 I N 3.975 124.543 120.570 -0.005 0.000 2.664 92 I HA 0.545 4.715 4.170 0.000 0.000 0.308 92 I C 0.266 176.357 176.117 -0.043 0.000 0.984 92 I CA -0.106 61.184 61.300 -0.018 0.000 1.213 92 I CB 2.111 40.100 38.000 -0.017 0.000 1.379 92 I HN 0.596 nan 8.210 nan 0.000 0.501 93 T N 2.395 116.915 114.554 -0.056 0.000 2.663 93 T HA 0.219 4.569 4.350 0.000 0.000 0.305 93 T C -1.501 173.135 174.700 -0.106 0.000 1.660 93 T CA -0.775 61.272 62.100 -0.089 0.000 0.976 93 T CB 0.909 69.717 68.868 -0.099 0.000 1.705 93 T HN 0.661 nan 8.240 nan 0.000 0.494 94 N N 1.429 120.026 118.700 -0.171 0.000 2.518 94 N HA 0.313 5.053 4.740 0.000 0.000 0.283 94 N C 1.122 176.503 175.510 -0.216 0.000 1.119 94 N CA -0.602 52.323 53.050 -0.209 0.000 0.983 94 N CB 1.333 39.570 38.487 -0.416 0.000 1.139 94 N HN 0.562 nan 8.380 nan 0.000 0.465 95 K N 1.726 122.072 120.400 -0.090 0.000 2.026 95 K HA -0.205 4.115 4.320 0.000 0.000 0.208 95 K C 1.607 178.184 176.600 -0.039 0.000 1.048 95 K CA 1.168 57.432 56.287 -0.039 0.000 0.929 95 K CB -0.109 32.405 32.500 0.022 0.000 0.713 95 K HN 0.734 nan 8.250 nan 0.000 0.439 96 H N -0.300 118.773 119.070 0.005 0.000 2.566 96 H HA -0.035 4.521 4.556 0.000 0.000 0.285 96 H C 1.230 176.566 175.328 0.014 0.000 1.041 96 H CA 0.817 56.873 56.048 0.015 0.000 1.207 96 H CB -0.091 29.685 29.762 0.023 0.000 1.353 96 H HN 0.073 nan 8.280 nan 0.000 0.604 97 V N 1.114 120.856 119.914 -0.287 0.000 2.690 97 V HA -0.091 4.029 4.120 0.000 0.000 0.240 97 V C 2.239 178.290 176.094 -0.072 0.000 1.078 97 V CA 0.952 63.126 62.300 -0.209 0.000 1.102 97 V CB -0.105 31.542 31.823 -0.293 0.000 0.800 97 V HN 0.437 nan 8.190 nan 0.000 0.479 98 I N -1.810 118.721 120.570 -0.066 0.000 3.793 98 I HA 0.267 4.437 4.170 0.000 0.000 0.315 98 I C 0.622 176.740 176.117 0.002 0.000 1.275 98 I CA -0.625 60.662 61.300 -0.023 0.000 1.214 98 I CB -1.195 36.789 38.000 -0.026 0.000 1.018 98 I HN 0.014 nan 8.210 nan 0.000 0.439 99 N N 3.031 121.738 118.700 0.012 0.000 2.353 99 N HA -0.114 4.626 4.740 0.000 0.000 0.248 99 N C 0.228 175.754 175.510 0.026 0.000 1.240 99 N CA 0.979 54.044 53.050 0.026 0.000 0.862 99 N CB -0.012 38.501 38.487 0.043 0.000 1.086 99 N HN 0.284 nan 8.380 nan 0.000 0.453 100 D N -1.320 119.093 120.400 0.023 0.000 2.782 100 D HA -0.219 4.422 4.640 0.000 0.000 0.231 100 D C -0.442 175.870 176.300 0.021 0.000 1.163 100 D CA 0.728 54.740 54.000 0.021 0.000 0.680 100 D CB -1.053 39.759 40.800 0.021 0.000 1.062 100 D HN 0.562 nan 8.370 nan 0.000 0.425 101 A N 0.536 123.369 122.820 0.022 0.000 2.309 101 A HA 0.233 4.553 4.320 0.000 0.000 0.290 101 A C 1.142 178.740 177.584 0.023 0.000 1.206 101 A CA -0.417 51.634 52.037 0.025 0.000 0.850 101 A CB 0.684 19.699 19.000 0.026 0.000 1.118 101 A HN -0.099 nan 8.150 nan 0.000 0.523 102 D N 0.511 120.924 120.400 0.023 0.000 2.269 102 D HA -0.034 4.606 4.640 0.000 0.000 0.208 102 D C 0.734 177.048 176.300 0.024 0.000 0.963 102 D CA 1.390 55.403 54.000 0.021 0.000 0.864 102 D CB 0.366 41.177 40.800 0.018 0.000 0.936 102 D HN 0.761 nan 8.370 nan 0.000 0.505 103 Q N -0.416 119.402 119.800 0.030 0.000 2.534 103 Q HA 0.513 4.853 4.340 0.000 0.000 0.290 103 Q C -1.852 174.176 176.000 0.047 0.000 0.991 103 Q CA -0.626 55.199 55.803 0.036 0.000 0.783 103 Q CB 1.975 30.734 28.738 0.036 0.000 1.470 103 Q HN -0.090 nan 8.270 nan 0.000 0.406 104 I N 3.235 123.836 120.570 0.053 0.000 2.500 104 I HA 0.373 4.543 4.170 0.000 0.000 0.286 104 I C -0.942 175.225 176.117 0.084 0.000 1.063 104 I CA -0.772 60.565 61.300 0.062 0.000 1.062 104 I CB 1.657 39.679 38.000 0.035 0.000 1.223 104 I HN 0.494 nan 8.210 nan 0.000 0.435 105 I N 6.696 127.346 120.570 0.133 0.000 2.412 105 I HA 0.467 4.637 4.170 0.000 0.000 0.296 105 I C -0.022 176.175 176.117 0.134 0.000 0.987 105 I CA -0.859 60.543 61.300 0.171 0.000 1.180 105 I CB 1.968 40.114 38.000 0.244 0.000 1.340 105 I HN 0.133 nan 8.210 nan 0.000 0.455 106 V N 5.001 124.985 119.914 0.117 0.000 2.513 106 V HA 0.805 4.925 4.120 0.000 0.000 0.299 106 V C 0.079 176.250 176.094 0.128 0.000 1.035 106 V CA -0.552 61.771 62.300 0.039 0.000 0.889 106 V CB 1.846 33.687 31.823 0.030 0.000 0.988 106 V HN 0.909 nan 8.190 nan 0.000 0.440 107 A N 5.709 128.556 122.820 0.044 0.000 2.374 107 A HA 0.860 5.180 4.320 0.000 0.000 0.305 107 A C -0.980 176.649 177.584 0.076 0.000 1.053 107 A CA -0.578 51.535 52.037 0.127 0.000 0.726 107 A CB 1.118 20.226 19.000 0.180 0.000 1.229 107 A HN 0.742 nan 8.150 nan 0.000 0.431 108 L N 1.582 122.877 121.223 0.120 0.000 2.399 108 L HA 0.318 4.658 4.340 0.000 0.000 0.265 108 L C 1.016 177.921 176.870 0.059 0.000 1.089 108 L CA -0.961 53.922 54.840 0.072 0.000 0.802 108 L CB 0.865 42.982 42.059 0.096 0.000 1.180 108 L HN 0.753 nan 8.230 nan 0.000 0.454 109 Q N 1.123 120.944 119.800 0.035 0.000 2.364 109 Q HA -0.141 4.199 4.340 0.000 0.000 0.207 109 Q C 0.901 176.923 176.000 0.037 0.000 0.970 109 Q CA 0.989 56.810 55.803 0.032 0.000 0.888 109 Q CB -0.283 28.466 28.738 0.018 0.000 0.951 109 Q HN 0.742 nan 8.270 nan 0.000 0.469 110 D N -1.493 118.935 120.400 0.045 0.000 2.328 110 D HA 0.111 4.751 4.640 0.000 0.000 0.226 110 D C 1.152 177.483 176.300 0.052 0.000 1.066 110 D CA 0.684 54.711 54.000 0.045 0.000 0.861 110 D CB 0.048 40.878 40.800 0.049 0.000 0.912 110 D HN 0.203 nan 8.370 nan 0.000 0.521 111 G N 0.197 109.033 108.800 0.060 0.000 2.217 111 G HA2 -0.320 3.640 3.960 0.000 0.000 0.246 111 G HA3 -0.320 3.640 3.960 0.000 0.000 0.246 111 G C 0.365 175.299 174.900 0.057 0.000 0.990 111 G CA -0.140 44.992 45.100 0.053 0.000 0.627 111 G HN 0.448 nan 8.290 nan 0.000 0.522 112 R N 0.175 120.734 120.500 0.098 0.000 2.491 112 R HA 0.472 4.812 4.340 0.000 0.000 0.283 112 R C -0.181 176.185 176.300 0.110 0.000 1.072 112 R CA -0.011 56.140 56.100 0.084 0.000 1.048 112 R CB 1.329 31.787 30.300 0.263 0.000 0.983 112 R HN 0.111 nan 8.270 nan 0.000 0.450 113 V N 4.878 124.705 119.914 -0.144 0.000 2.495 113 V HA 0.488 4.608 4.120 0.000 0.000 0.298 113 V C -0.699 175.220 176.094 -0.293 0.000 1.031 113 V CA -0.554 61.721 62.300 -0.041 0.000 0.871 113 V CB 1.261 33.074 31.823 -0.017 0.000 0.988 113 V HN 0.506 nan 8.190 nan 0.000 0.432 114 F N 1.384 121.345 119.950 0.019 0.000 2.588 114 F HA 0.536 5.063 4.527 0.000 0.000 0.314 114 F C 0.155 175.963 175.800 0.013 0.000 1.069 114 F CA -0.971 57.032 58.000 0.006 0.000 0.931 114 F CB 1.802 40.795 39.000 -0.011 0.000 1.260 114 F HN 0.451 nan 8.300 nan 0.000 0.465 115 E N 1.257 121.566 120.200 0.182 0.000 2.227 115 E HA 0.685 5.035 4.350 0.000 0.000 0.282 115 E C -1.190 175.474 176.600 0.107 0.000 1.015 115 E CA -0.598 55.868 56.400 0.110 0.000 0.823 115 E CB 1.195 30.934 29.700 0.065 0.000 1.081 115 E HN 0.725 nan 8.360 nan 0.000 0.396 116 A N 5.179 128.042 122.820 0.073 0.000 2.324 116 A HA 0.396 4.717 4.320 0.000 0.000 0.330 116 A C -0.934 176.665 177.584 0.025 0.000 1.165 116 A CA -0.813 51.248 52.037 0.039 0.000 0.813 116 A CB 0.984 19.996 19.000 0.020 0.000 1.197 116 A HN 0.665 nan 8.150 nan 0.000 0.484 117 L N 3.724 124.954 121.223 0.012 0.000 2.275 117 L HA 0.464 4.804 4.340 0.000 0.000 0.288 117 L C -0.819 176.063 176.870 0.019 0.000 1.046 117 L CA -0.453 54.396 54.840 0.014 0.000 0.805 117 L CB 0.968 43.031 42.059 0.007 0.000 1.193 117 L HN 0.814 nan 8.230 nan 0.000 0.426 118 L N 6.524 127.761 121.223 0.023 0.000 2.325 118 L HA 0.134 4.475 4.340 0.000 0.000 0.284 118 L C 0.984 177.876 176.870 0.035 0.000 1.089 118 L CA -0.313 54.542 54.840 0.025 0.000 0.836 118 L CB 1.382 43.453 42.059 0.019 0.000 1.184 118 L HN 0.725 nan 8.230 nan 0.000 0.444 119 V N 2.564 122.509 119.914 0.052 0.000 3.647 119 V HA 0.588 4.708 4.120 0.000 0.000 0.279 119 V C 0.538 176.655 176.094 0.039 0.000 1.314 119 V CA 0.720 63.058 62.300 0.064 0.000 1.125 119 V CB -0.539 31.360 31.823 0.127 0.000 0.907 119 V HN 0.926 nan 8.190 nan 0.000 0.434 120 G N -0.173 108.643 108.800 0.026 0.000 2.329 120 G HA2 0.445 4.405 3.960 0.000 0.000 0.308 120 G HA3 0.445 4.405 3.960 0.000 0.000 0.308 120 G C -0.740 174.164 174.900 0.006 0.000 1.587 120 G CA -0.054 45.054 45.100 0.013 0.000 0.978 120 G HN 1.291 nan 8.290 nan 0.000 0.685 121 S N -0.671 115.031 115.700 0.004 0.000 2.806 121 S HA 0.903 5.373 4.470 0.000 0.000 0.306 121 S C -1.399 173.203 174.600 0.004 0.000 1.167 121 S CA -0.254 57.948 58.200 0.002 0.000 0.847 121 S CB 2.742 65.946 63.200 0.006 0.000 1.216 121 S HN 1.493 nan 8.310 nan 0.000 0.532 122 D N -1.324 119.081 120.400 0.009 0.000 2.861 122 D HA 0.491 5.131 4.640 0.000 0.000 0.216 122 D C 0.268 176.585 176.300 0.028 0.000 1.323 122 D CA -0.403 53.605 54.000 0.013 0.000 0.917 122 D CB 1.743 42.543 40.800 0.000 0.000 1.582 122 D HN 0.268 nan 8.370 nan 0.000 0.576 123 S N 2.322 118.044 115.700 0.037 0.000 2.355 123 S HA -0.062 4.408 4.470 0.000 0.000 0.222 123 S C 1.830 176.469 174.600 0.065 0.000 1.031 123 S CA 0.588 58.820 58.200 0.052 0.000 0.993 123 S CB -0.248 62.982 63.200 0.050 0.000 0.859 123 S HN 0.639 nan 8.310 nan 0.000 0.453 124 L N 1.865 123.122 121.223 0.057 0.000 2.651 124 L HA -0.069 4.271 4.340 0.000 0.000 0.236 124 L C 1.865 178.801 176.870 0.110 0.000 1.173 124 L CA 1.257 56.138 54.840 0.067 0.000 0.843 124 L CB -1.072 40.999 42.059 0.021 0.000 0.964 124 L HN 0.545 nan 8.230 nan 0.000 0.454 125 T N -7.852 106.761 114.554 0.097 0.000 3.147 125 T HA 0.061 4.411 4.350 0.000 0.000 0.275 125 T C 0.612 175.333 174.700 0.034 0.000 0.879 125 T CA 0.255 62.413 62.100 0.098 0.000 0.863 125 T CB 0.227 69.121 68.868 0.043 0.000 1.236 125 T HN 0.086 nan 8.240 nan 0.000 0.582 126 D N 0.462 120.896 120.400 0.057 0.000 2.981 126 D HA -0.124 4.516 4.640 0.000 0.000 0.223 126 D C -0.567 175.742 176.300 0.015 0.000 1.151 126 D CA 0.504 54.546 54.000 0.070 0.000 0.827 126 D CB -1.780 39.098 40.800 0.131 0.000 1.101 126 D HN 0.658 nan 8.370 nan 0.000 0.426 127 L N -0.188 121.030 121.223 -0.008 0.000 2.322 127 L HA 0.781 5.122 4.340 0.000 0.000 0.279 127 L C 0.530 177.385 176.870 -0.025 0.000 1.036 127 L CA -0.378 54.443 54.840 -0.031 0.000 0.807 127 L CB 1.666 43.704 42.059 -0.035 0.000 1.226 127 L HN 0.168 nan 8.230 nan 0.000 0.433 128 A N 3.116 125.915 122.820 -0.036 0.000 2.414 128 A HA 0.762 5.082 4.320 0.000 0.000 0.306 128 A C -1.174 176.399 177.584 -0.018 0.000 1.054 128 A CA -0.470 51.552 52.037 -0.025 0.000 0.724 128 A CB 1.975 20.954 19.000 -0.035 0.000 1.267 128 A HN 0.357 nan 8.150 nan 0.000 0.418 129 V N 3.778 123.692 119.914 0.001 0.000 2.357 129 V HA 0.373 4.493 4.120 0.000 0.000 0.284 129 V C -0.040 176.088 176.094 0.057 0.000 1.018 129 V CA -0.232 62.084 62.300 0.027 0.000 0.841 129 V CB 0.836 32.673 31.823 0.024 0.000 0.991 129 V HN 0.776 nan 8.190 nan 0.000 0.437 130 L N 3.720 124.973 121.223 0.050 0.000 2.416 130 L HA 0.729 5.069 4.340 0.000 0.000 0.263 130 L C -0.174 176.723 176.870 0.046 0.000 1.065 130 L CA -0.967 53.894 54.840 0.034 0.000 0.798 130 L CB 1.410 43.466 42.059 -0.006 0.000 1.267 130 L HN 0.561 nan 8.230 nan 0.000 0.467 131 K N 1.664 122.052 120.400 -0.021 0.000 2.656 131 K HA 0.455 4.775 4.320 0.000 0.000 0.253 131 K C -1.151 175.372 176.600 -0.129 0.000 1.002 131 K CA -0.401 55.805 56.287 -0.134 0.000 0.880 131 K CB 1.303 33.686 32.500 -0.195 0.000 1.232 131 K HN 0.573 nan 8.250 nan 0.000 0.456 132 I N 0.099 120.562 120.570 -0.178 0.000 2.664 132 I HA 0.460 4.630 4.170 0.000 0.000 0.308 132 I C -0.378 175.643 176.117 -0.159 0.000 0.984 132 I CA -0.738 60.477 61.300 -0.142 0.000 1.213 132 I CB 1.673 39.477 38.000 -0.328 0.000 1.379 132 I HN 0.566 nan 8.210 nan 0.000 0.501 133 N N 3.881 122.566 118.700 -0.026 0.000 2.707 133 N HA 0.454 5.195 4.740 0.000 0.000 0.235 133 N C -1.120 174.429 175.510 0.065 0.000 1.028 133 N CA -0.294 52.745 53.050 -0.019 0.000 0.906 133 N CB 1.274 39.772 38.487 0.017 0.000 1.131 133 N HN 0.874 nan 8.380 nan 0.000 0.509 134 A N 2.217 125.008 122.820 -0.049 0.000 2.290 134 A HA 0.448 4.768 4.320 0.000 0.000 0.310 134 A C 0.302 177.915 177.584 0.047 0.000 1.202 134 A CA -0.525 51.533 52.037 0.035 0.000 0.837 134 A CB 0.910 19.773 19.000 -0.229 0.000 1.139 134 A HN 0.542 nan 8.150 nan 0.000 0.509 135 T N -0.107 114.516 114.554 0.116 0.000 2.888 135 T HA 0.607 4.957 4.350 0.000 0.000 0.284 135 T C 0.866 175.611 174.700 0.076 0.000 1.017 135 T CA 0.593 62.732 62.100 0.065 0.000 1.022 135 T CB 1.281 70.184 68.868 0.057 0.000 1.013 135 T HN 2.393 nan 8.240 nan 0.000 0.465 136 G N 1.167 109.994 108.800 0.044 0.000 2.195 136 G HA2 0.334 4.295 3.960 0.000 0.000 0.224 136 G HA3 0.334 4.295 3.960 0.000 0.000 0.224 136 G C 0.949 175.869 174.900 0.033 0.000 0.990 136 G CA 0.278 45.404 45.100 0.043 0.000 0.639 136 G HN 2.554 nan 8.290 nan 0.000 0.514 137 G N -1.091 107.721 108.800 0.019 0.000 2.788 137 G HA2 0.296 4.256 3.960 0.000 0.000 0.686 137 G HA3 0.296 4.256 3.960 0.000 0.000 0.686 137 G C -0.691 174.202 174.900 -0.013 0.000 1.147 137 G CA -0.178 44.922 45.100 0.000 0.000 0.755 137 G HN 1.218 nan 8.290 nan 0.000 0.634 138 L N 3.155 124.353 121.223 -0.040 0.000 2.370 138 L HA 0.677 5.017 4.340 0.000 0.000 0.266 138 L C -1.787 175.053 176.870 -0.048 0.000 1.002 138 L CA -2.133 52.666 54.840 -0.068 0.000 0.818 138 L CB 2.834 44.817 42.059 -0.127 0.000 1.325 138 L HN 0.536 nan 8.230 nan 0.000 0.418 139 P HA 0.249 nan 4.420 nan 0.000 0.278 139 P C -1.138 176.138 177.300 -0.041 0.000 1.238 139 P CA -0.254 62.826 63.100 -0.033 0.000 0.794 139 P CB 1.303 32.987 31.700 -0.026 0.000 0.955 140 T N -0.507 114.028 114.554 -0.032 0.000 2.886 140 T HA 0.381 4.731 4.350 0.000 0.000 0.292 140 T C -0.006 174.676 174.700 -0.031 0.000 1.012 140 T CA -0.898 61.184 62.100 -0.030 0.000 0.982 140 T CB 1.004 69.859 68.868 -0.022 0.000 1.018 140 T HN 0.196 nan 8.240 nan 0.000 0.451 141 I N 3.941 124.491 120.570 -0.033 0.000 2.662 141 I HA 0.270 4.440 4.170 0.000 0.000 0.285 141 I C -2.239 173.848 176.117 -0.051 0.000 1.161 141 I CA -1.982 59.293 61.300 -0.042 0.000 1.415 141 I CB 0.065 38.039 38.000 -0.043 0.000 1.385 141 I HN 0.486 nan 8.210 nan 0.000 0.552 142 P HA 0.183 nan 4.420 nan 0.000 0.264 142 P C -0.843 176.391 177.300 -0.111 0.000 1.183 142 P CA 0.447 63.503 63.100 -0.073 0.000 0.763 142 P CB 0.304 31.959 31.700 -0.074 0.000 0.807 143 I N 2.712 123.219 120.570 -0.106 0.000 2.686 143 I HA 0.345 4.515 4.170 0.000 0.000 0.295 143 I C -0.186 175.852 176.117 -0.132 0.000 1.114 143 I CA -0.637 60.572 61.300 -0.152 0.000 1.038 143 I CB 2.492 40.459 38.000 -0.054 0.000 1.238 143 I HN 0.234 nan 8.210 nan 0.000 0.420 144 N N 4.006 122.579 118.700 -0.211 0.000 2.690 144 N HA 0.348 5.088 4.740 0.000 0.000 0.255 144 N C 0.306 175.830 175.510 0.023 0.000 1.195 144 N CA -0.249 52.743 53.050 -0.096 0.000 0.790 144 N CB 1.681 40.095 38.487 -0.122 0.000 1.216 144 N HN 0.751 nan 8.380 nan 0.000 0.528 145 A N 2.651 125.562 122.820 0.152 0.000 2.076 145 A HA -0.122 4.198 4.320 0.000 0.000 0.220 145 A C 1.912 179.619 177.584 0.205 0.000 1.160 145 A CA 1.063 53.274 52.037 0.289 0.000 0.653 145 A CB -0.075 19.027 19.000 0.169 0.000 0.801 145 A HN 0.567 nan 8.150 nan 0.000 0.455 146 R N -0.773 119.797 120.500 0.116 0.000 2.275 146 R HA 0.038 4.379 4.340 0.000 0.000 0.199 146 R C 0.923 177.271 176.300 0.081 0.000 0.989 146 R CA 0.225 56.373 56.100 0.079 0.000 1.016 146 R CB -0.310 30.017 30.300 0.045 0.000 0.918 146 R HN 0.533 nan 8.270 nan 0.000 0.473 147 R N 1.251 121.808 120.500 0.094 0.000 2.390 147 R HA 0.150 4.490 4.340 0.000 0.000 0.291 147 R C -0.767 175.584 176.300 0.085 0.000 1.070 147 R CA -0.059 56.071 56.100 0.049 0.000 1.014 147 R CB 1.120 31.402 30.300 -0.030 0.000 1.007 147 R HN -0.150 nan 8.270 nan 0.000 0.466 148 V N 7.362 127.255 119.914 -0.035 0.000 2.370 148 V HA 0.486 4.606 4.120 0.000 0.000 0.283 148 V C -2.360 173.490 176.094 -0.408 0.000 1.023 148 V CA -2.699 59.536 62.300 -0.108 0.000 0.857 148 V CB 1.575 33.373 31.823 -0.041 0.000 0.985 148 V HN 0.827 nan 8.190 nan 0.000 0.443 149 P HA 0.309 nan 4.420 nan 0.000 0.268 149 P C -1.197 175.934 177.300 -0.282 0.000 1.204 149 P CA 0.251 63.234 63.100 -0.195 0.000 0.768 149 P CB 0.213 31.925 31.700 0.021 0.000 0.842 150 H N 2.045 121.140 119.070 0.042 0.000 2.600 150 H HA 0.299 4.855 4.556 0.000 0.000 0.357 150 H C 0.349 175.689 175.328 0.020 0.000 1.106 150 H CA -0.868 55.197 56.048 0.029 0.000 1.193 150 H CB 1.061 30.837 29.762 0.023 0.000 1.594 150 H HN 0.270 nan 8.280 nan 0.000 0.526 151 I N 2.035 122.698 120.570 0.156 0.000 2.828 151 I HA -0.072 4.098 4.170 0.000 0.000 0.292 151 I C 1.483 177.642 176.117 0.070 0.000 1.206 151 I CA 1.558 62.907 61.300 0.081 0.000 1.420 151 I CB -0.298 37.735 38.000 0.055 0.000 1.368 151 I HN 1.069 nan 8.210 nan 0.000 0.556 152 G N 5.391 114.218 108.800 0.045 0.000 2.238 152 G HA2 -0.182 3.779 3.960 0.000 0.000 0.217 152 G HA3 -0.182 3.779 3.960 0.000 0.000 0.217 152 G C 0.041 174.961 174.900 0.033 0.000 0.996 152 G CA -0.495 44.625 45.100 0.034 0.000 0.632 152 G HN 0.540 nan 8.290 nan 0.000 0.503 153 D N 1.538 121.965 120.400 0.044 0.000 2.450 153 D HA 0.376 5.017 4.640 0.000 0.000 0.247 153 D C 1.103 177.392 176.300 -0.019 0.000 1.162 153 D CA 0.037 54.053 54.000 0.026 0.000 0.879 153 D CB 1.638 42.452 40.800 0.022 0.000 1.163 153 D HN 0.203 nan 8.370 nan 0.000 0.472 154 V N 2.803 122.697 119.914 -0.034 0.000 2.788 154 V HA 0.087 4.207 4.120 0.000 0.000 0.307 154 V C 0.613 176.614 176.094 -0.155 0.000 1.069 154 V CA 0.316 62.546 62.300 -0.117 0.000 1.173 154 V CB 1.296 33.027 31.823 -0.154 0.000 0.925 154 V HN 0.318 nan 8.190 nan 0.000 0.492 155 V N 6.352 126.148 119.914 -0.196 0.000 2.969 155 V HA 0.559 4.679 4.120 0.000 0.000 0.304 155 V C -1.006 174.977 176.094 -0.186 0.000 1.192 155 V CA -0.561 61.642 62.300 -0.163 0.000 0.962 155 V CB 2.261 34.027 31.823 -0.095 0.000 1.045 155 V HN 0.710 nan 8.190 nan 0.000 0.428 156 L N 4.934 126.061 121.223 -0.159 0.000 2.334 156 L HA 0.913 5.253 4.340 0.000 0.000 0.273 156 L C 0.056 176.879 176.870 -0.079 0.000 1.013 156 L CA -0.778 53.984 54.840 -0.130 0.000 0.816 156 L CB 1.971 43.958 42.059 -0.120 0.000 1.278 156 L HN 0.745 nan 8.230 nan 0.000 0.431 157 A N 3.950 126.735 122.820 -0.058 0.000 2.267 157 A HA 0.732 5.052 4.320 0.000 0.000 0.315 157 A C -0.539 177.029 177.584 -0.026 0.000 1.297 157 A CA -0.386 51.629 52.037 -0.038 0.000 0.865 157 A CB 0.182 19.166 19.000 -0.028 0.000 1.165 157 A HN 0.637 nan 8.150 nan 0.000 0.513 158 I N 2.660 123.214 120.570 -0.027 0.000 2.336 158 I HA 0.681 4.851 4.170 0.000 0.000 0.292 158 I C 0.814 176.919 176.117 -0.020 0.000 0.991 158 I CA 0.000 61.288 61.300 -0.020 0.000 1.227 158 I CB 1.762 39.747 38.000 -0.025 0.000 1.366 158 I HN 0.767 nan 8.210 nan 0.000 0.466 159 G N 4.341 113.134 108.800 -0.012 0.000 2.489 159 G HA2 0.193 4.153 3.960 0.000 0.000 0.305 159 G HA3 0.193 4.153 3.960 0.000 0.000 0.305 159 G C -1.763 173.135 174.900 -0.002 0.000 1.311 159 G CA -0.720 44.370 45.100 -0.017 0.000 0.813 159 G HN 0.615 nan 8.290 nan 0.000 0.480 160 N N 1.319 120.015 118.700 -0.006 0.000 2.790 160 N HA 0.393 5.133 4.740 0.000 0.000 0.256 160 N C -2.733 172.803 175.510 0.045 0.000 1.409 160 N CA -1.436 51.627 53.050 0.021 0.000 0.799 160 N CB 2.046 40.536 38.487 0.005 0.000 1.170 160 N HN 0.291 nan 8.380 nan 0.000 0.507 161 P HA 0.062 nan 4.420 nan 0.000 0.277 161 P C -0.506 176.983 177.300 0.316 0.000 1.240 161 P CA 0.399 63.612 63.100 0.188 0.000 0.798 161 P CB 0.627 32.487 31.700 0.267 0.000 0.979 162 Y N -0.084 120.271 120.300 0.092 0.000 4.144 162 Y HA -0.299 4.251 4.550 0.000 0.000 0.216 162 Y C 1.149 177.100 175.900 0.086 0.000 1.115 162 Y CA 1.443 59.606 58.100 0.105 0.000 1.729 162 Y CB -3.044 35.464 38.460 0.081 0.000 1.553 162 Y HN 0.625 nan 8.280 nan 0.000 0.633 163 N N -0.270 118.530 118.700 0.167 0.000 2.707 163 N HA -0.252 4.488 4.740 0.000 0.000 0.253 163 N C 0.423 176.014 175.510 0.135 0.000 0.998 163 N CA 0.476 53.612 53.050 0.143 0.000 0.751 163 N CB -0.832 37.741 38.487 0.143 0.000 0.920 163 N HN 0.597 nan 8.380 nan 0.000 0.539 164 L N -0.092 121.210 121.223 0.131 0.000 2.607 164 L HA 0.298 4.638 4.340 0.000 0.000 0.228 164 L C 1.341 178.256 176.870 0.076 0.000 1.123 164 L CA 0.584 55.484 54.840 0.099 0.000 0.890 164 L CB 0.126 42.240 42.059 0.091 0.000 1.103 164 L HN 0.538 nan 8.230 nan 0.000 0.468 165 G N 0.223 109.071 108.800 0.080 0.000 2.592 165 G HA2 -0.217 3.743 3.960 0.000 0.000 0.684 165 G HA3 -0.217 3.743 3.960 0.000 0.000 0.684 165 G C -0.734 174.195 174.900 0.048 0.000 1.291 165 G CA -0.784 44.354 45.100 0.063 0.000 0.891 165 G HN 0.073 nan 8.290 nan 0.000 0.544 166 Q N 0.229 120.049 119.800 0.035 0.000 2.289 166 Q HA 0.482 4.822 4.340 0.000 0.000 0.273 166 Q C 0.702 176.716 176.000 0.024 0.000 1.029 166 Q CA 0.806 56.623 55.803 0.023 0.000 0.896 166 Q CB 0.238 28.984 28.738 0.014 0.000 1.182 166 Q HN 1.104 nan 8.270 nan 0.000 0.385 167 T N 1.875 116.443 114.554 0.023 0.000 2.893 167 T HA 0.671 5.021 4.350 0.000 0.000 0.291 167 T C -0.464 174.244 174.700 0.014 0.000 1.028 167 T CA -0.942 61.171 62.100 0.022 0.000 0.995 167 T CB 1.071 69.957 68.868 0.029 0.000 1.051 167 T HN 0.391 nan 8.240 nan 0.000 0.470 168 I N 2.741 123.319 120.570 0.012 0.000 2.603 168 I HA 0.663 4.833 4.170 0.000 0.000 0.300 168 I C 0.383 176.502 176.117 0.003 0.000 1.017 168 I CA -0.589 60.714 61.300 0.005 0.000 1.098 168 I CB 1.643 39.649 38.000 0.011 0.000 1.279 168 I HN 1.105 nan 8.210 nan 0.000 0.437 169 T N 2.118 116.665 114.554 -0.011 0.000 2.933 169 T HA 0.696 5.046 4.350 0.000 0.000 0.305 169 T C -0.831 173.841 174.700 -0.046 0.000 1.092 169 T CA -0.883 61.208 62.100 -0.015 0.000 1.008 169 T CB 2.241 71.103 68.868 -0.009 0.000 1.102 169 T HN 0.613 nan 8.240 nan 0.000 0.469 170 Q N 1.397 121.164 119.800 -0.054 0.000 2.345 170 Q HA 0.886 5.226 4.340 0.000 0.000 0.268 170 Q C -0.083 175.861 176.000 -0.094 0.000 1.054 170 Q CA -0.722 55.010 55.803 -0.119 0.000 0.835 170 Q CB 1.981 30.606 28.738 -0.189 0.000 1.339 170 Q HN 1.125 nan 8.270 nan 0.000 0.447 171 G N 1.177 109.905 108.800 -0.119 0.000 2.677 171 G HA2 0.613 4.573 3.960 0.000 0.000 0.283 171 G HA3 0.613 4.573 3.960 0.000 0.000 0.283 171 G C -1.259 173.585 174.900 -0.094 0.000 1.221 171 G CA -0.467 44.584 45.100 -0.083 0.000 0.851 171 G HN 1.076 nan 8.290 nan 0.000 0.504 172 I N -2.472 118.059 120.570 -0.066 0.000 3.264 172 I HA 0.679 4.849 4.170 0.000 0.000 0.315 172 I C -0.898 175.194 176.117 -0.042 0.000 1.154 172 I CA -1.536 59.733 61.300 -0.052 0.000 0.962 172 I CB 2.301 40.284 38.000 -0.029 0.000 1.265 172 I HN 0.368 nan 8.210 nan 0.000 0.463 173 I N 2.360 122.917 120.570 -0.022 0.000 2.322 173 I HA 0.156 4.327 4.170 0.000 0.000 0.292 173 I C 0.650 176.764 176.117 -0.004 0.000 1.060 173 I CA 0.007 61.303 61.300 -0.008 0.000 1.309 173 I CB 1.377 39.386 38.000 0.016 0.000 1.415 173 I HN 0.653 nan 8.210 nan 0.000 0.492 174 S N 4.860 120.547 115.700 -0.021 0.000 2.528 174 S HA 0.336 4.806 4.470 0.000 0.000 0.219 174 S C 0.575 175.174 174.600 -0.001 0.000 0.985 174 S CA -0.067 58.120 58.200 -0.022 0.000 0.914 174 S CB 0.289 63.455 63.200 -0.057 0.000 0.776 174 S HN 0.795 nan 8.310 nan 0.000 0.526 175 A N 0.721 123.553 122.820 0.020 0.000 2.573 175 A HA 0.531 4.851 4.320 0.000 0.000 0.299 175 A C 0.671 178.298 177.584 0.070 0.000 1.060 175 A CA -0.278 51.787 52.037 0.046 0.000 0.736 175 A CB 0.210 19.244 19.000 0.056 0.000 1.280 175 A HN 0.108 nan 8.150 nan 0.000 0.401 176 T N -0.371 114.226 114.554 0.073 0.000 2.939 176 T HA 0.495 4.845 4.350 0.000 0.000 0.254 176 T C 1.461 176.219 174.700 0.097 0.000 1.041 176 T CA 1.283 63.432 62.100 0.081 0.000 1.142 176 T CB -0.611 68.300 68.868 0.072 0.000 0.874 176 T HN 2.774 nan 8.240 nan 0.000 0.452 177 G N 1.713 110.565 108.800 0.085 0.000 2.829 177 G HA2 -0.121 3.839 3.960 0.000 0.000 0.628 177 G HA3 -0.121 3.839 3.960 0.000 0.000 0.628 177 G C -0.831 174.103 174.900 0.057 0.000 1.412 177 G CA -0.769 44.383 45.100 0.085 0.000 0.864 177 G HN 0.729 nan 8.290 nan 0.000 0.544 178 R N -0.640 119.886 120.500 0.043 0.000 2.536 178 R HA 0.602 4.942 4.340 0.000 0.000 0.279 178 R C 1.441 177.750 176.300 0.016 0.000 1.001 178 R CA -0.211 55.900 56.100 0.017 0.000 1.027 178 R CB 1.054 31.354 30.300 -0.001 0.000 1.096 178 R HN 0.806 nan 8.270 nan 0.000 0.502 179 I N -1.888 118.669 120.570 -0.023 0.000 3.891 179 I HA 0.328 4.498 4.170 0.000 0.000 0.331 179 I C 0.581 176.668 176.117 -0.049 0.000 1.406 179 I CA -0.447 60.819 61.300 -0.056 0.000 1.139 179 I CB 0.399 38.326 38.000 -0.121 0.000 1.056 179 I HN 0.502 nan 8.210 nan 0.000 0.399 180 G N 1.099 109.882 108.800 -0.029 0.000 2.634 180 G HA2 0.236 4.196 3.960 0.000 0.000 0.255 180 G HA3 0.236 4.196 3.960 0.000 0.000 0.255 180 G C 0.139 175.019 174.900 -0.033 0.000 1.205 180 G CA -0.473 44.608 45.100 -0.033 0.000 0.884 180 G HN 0.315 nan 8.290 nan 0.000 0.549 181 L N -0.140 121.056 121.223 -0.045 0.000 2.567 181 L HA 0.239 4.579 4.340 0.000 0.000 0.225 181 L C 1.073 177.893 176.870 -0.082 0.000 1.119 181 L CA -0.039 54.767 54.840 -0.057 0.000 0.871 181 L CB -0.579 41.442 42.059 -0.063 0.000 1.036 181 L HN 0.626 nan 8.230 nan 0.000 0.459 182 N N 1.647 120.304 118.700 -0.073 0.000 2.422 182 N HA 0.180 4.920 4.740 0.000 0.000 0.264 182 N C -2.332 173.136 175.510 -0.070 0.000 1.063 182 N CA -1.463 51.533 53.050 -0.091 0.000 0.959 182 N CB 0.862 39.321 38.487 -0.048 0.000 1.087 182 N HN 0.051 nan 8.380 nan 0.000 0.483 183 P HA 0.057 nan 4.420 nan 0.000 0.271 183 P C -0.029 177.248 177.300 -0.039 0.000 1.220 183 P CA -0.057 63.015 63.100 -0.047 0.000 0.768 183 P CB 1.495 33.177 31.700 -0.030 0.000 0.848 184 T N 0.109 114.610 114.554 -0.089 0.000 3.115 184 T HA 0.502 4.852 4.350 0.000 0.000 0.256 184 T C 0.787 175.395 174.700 -0.154 0.000 0.970 184 T CA 0.590 62.629 62.100 -0.101 0.000 1.010 184 T CB 0.081 68.882 68.868 -0.113 0.000 1.151 184 T HN 0.641 nan 8.240 nan 0.000 0.479 185 G N 0.557 109.189 108.800 -0.280 0.000 2.368 185 G HA2 0.424 4.384 3.960 0.000 0.000 0.269 185 G HA3 0.424 4.384 3.960 0.000 0.000 0.269 185 G C -0.414 174.055 174.900 -0.718 0.000 1.291 185 G CA 0.041 44.937 45.100 -0.340 0.000 0.903 185 G HN 0.487 nan 8.290 nan 0.000 0.483 186 R N -0.108 120.015 120.500 -0.628 0.000 2.702 186 R HA 0.553 4.893 4.340 0.000 0.000 0.314 186 R C 1.299 177.095 176.300 -0.841 0.000 1.152 186 R CA 1.178 56.753 56.100 -0.876 0.000 1.097 186 R CB -0.768 29.241 30.300 -0.484 0.000 1.343 186 R HN 0.854 nan 8.270 nan 0.000 0.575 187 Q N -2.055 117.383 119.800 -0.603 0.000 2.288 187 Q HA 0.189 4.529 4.340 0.000 0.000 0.256 187 Q C 0.042 175.941 176.000 -0.168 0.000 0.835 187 Q CA -0.371 55.267 55.803 -0.274 0.000 0.958 187 Q CB 0.395 29.031 28.738 -0.170 0.000 1.125 187 Q HN 0.273 nan 8.270 nan 0.000 0.513 188 N N 0.414 118.931 118.700 -0.305 0.000 2.451 188 N HA 0.232 4.972 4.740 0.000 0.000 0.264 188 N C -1.110 174.403 175.510 0.005 0.000 1.167 188 N CA 0.116 53.085 53.050 -0.135 0.000 0.898 188 N CB 0.262 38.667 38.487 -0.137 0.000 1.176 188 N HN 0.062 nan 8.380 nan 0.000 0.507 189 F N 0.105 120.086 119.950 0.052 0.000 2.635 189 F HA 0.482 5.009 4.527 0.000 0.000 0.362 189 F C 0.550 176.436 175.800 0.144 0.000 1.182 189 F CA -1.171 56.888 58.000 0.098 0.000 1.119 189 F CB -0.214 38.874 39.000 0.146 0.000 1.713 189 F HN -0.197 nan 8.300 nan 0.000 0.512 190 L N 0.420 121.883 121.223 0.398 0.000 2.334 190 L HA 0.444 4.784 4.340 0.000 0.000 0.276 190 L C -0.735 176.281 176.870 0.244 0.000 1.014 190 L CA -0.220 54.760 54.840 0.233 0.000 0.815 190 L CB 1.503 43.647 42.059 0.142 0.000 1.268 190 L HN 0.495 nan 8.230 nan 0.000 0.428 191 Q N 2.383 122.252 119.800 0.114 0.000 2.333 191 Q HA 0.527 4.867 4.340 0.000 0.000 0.267 191 Q C -1.354 174.572 176.000 -0.124 0.000 1.012 191 Q CA -0.438 55.309 55.803 -0.094 0.000 0.824 191 Q CB 1.859 30.545 28.738 -0.085 0.000 1.290 191 Q HN 0.685 nan 8.270 nan 0.000 0.449 192 T N 1.066 115.503 114.554 -0.195 0.000 2.909 192 T HA 0.182 4.532 4.350 0.000 0.000 0.299 192 T C -0.255 174.365 174.700 -0.134 0.000 1.073 192 T CA -0.647 61.378 62.100 -0.125 0.000 0.999 192 T CB 1.001 69.822 68.868 -0.080 0.000 1.098 192 T HN 0.745 nan 8.240 nan 0.000 0.477 193 D N 2.312 122.655 120.400 -0.094 0.000 2.328 193 D HA 0.223 4.863 4.640 0.000 0.000 0.226 193 D C 0.812 177.079 176.300 -0.056 0.000 1.066 193 D CA -0.293 53.661 54.000 -0.076 0.000 0.861 193 D CB -0.293 40.472 40.800 -0.057 0.000 0.912 193 D HN 0.607 nan 8.370 nan 0.000 0.521 194 A N 0.272 123.056 122.820 -0.060 0.000 2.462 194 A HA 0.340 4.660 4.320 0.000 0.000 0.243 194 A C 0.497 178.064 177.584 -0.030 0.000 1.076 194 A CA -0.392 51.616 52.037 -0.048 0.000 0.773 194 A CB 0.302 19.269 19.000 -0.056 0.000 1.010 194 A HN 0.145 nan 8.150 nan 0.000 0.493 195 S N 1.981 117.672 115.700 -0.014 0.000 2.429 195 S HA 0.243 4.714 4.470 0.000 0.000 0.292 195 S C -0.027 174.587 174.600 0.022 0.000 1.183 195 S CA -0.050 58.154 58.200 0.006 0.000 1.088 195 S CB -0.344 62.862 63.200 0.010 0.000 1.018 195 S HN 0.423 nan 8.310 nan 0.000 0.511 196 I N 4.974 125.566 120.570 0.036 0.000 2.337 196 I HA 0.295 4.465 4.170 0.000 0.000 0.285 196 I C 0.415 176.595 176.117 0.105 0.000 1.041 196 I CA -0.500 60.835 61.300 0.057 0.000 1.199 196 I CB 0.007 38.037 38.000 0.049 0.000 1.370 196 I HN 0.475 nan 8.210 nan 0.000 0.470 197 N N 3.312 122.094 118.700 0.137 0.000 2.491 197 N HA 0.162 4.902 4.740 0.000 0.000 0.279 197 N C -0.160 175.480 175.510 0.216 0.000 1.236 197 N CA -0.620 52.580 53.050 0.250 0.000 0.982 197 N CB 0.621 39.326 38.487 0.364 0.000 1.194 197 N HN 0.454 nan 8.380 nan 0.000 0.582 198 H N -0.817 118.344 119.070 0.152 0.000 3.160 198 H HA 0.337 4.893 4.556 0.000 0.000 0.257 198 H C 0.848 176.137 175.328 -0.064 0.000 1.140 198 H CA 1.171 57.192 56.048 -0.045 0.000 1.492 198 H CB -0.602 29.004 29.762 -0.260 0.000 1.529 198 H HN 0.822 nan 8.280 nan 0.000 0.490 199 G N 4.288 112.888 108.800 -0.334 0.000 2.559 199 G HA2 -0.225 3.735 3.960 0.000 0.000 0.202 199 G HA3 -0.225 3.735 3.960 0.000 0.000 0.202 199 G C 0.903 175.747 174.900 -0.092 0.000 0.992 199 G CA -0.044 44.929 45.100 -0.211 0.000 0.764 199 G HN 0.570 nan 8.290 nan 0.000 0.525 200 N N 0.719 119.386 118.700 -0.054 0.000 2.325 200 N HA 0.129 4.869 4.740 0.000 0.000 0.182 200 N C 0.692 176.181 175.510 -0.034 0.000 1.088 200 N CA 0.377 53.415 53.050 -0.021 0.000 0.879 200 N CB 0.383 38.881 38.487 0.019 0.000 0.983 200 N HN 0.280 nan 8.380 nan 0.000 0.471 201 S N -0.234 115.436 115.700 -0.050 0.000 2.544 201 S HA 0.298 4.769 4.470 0.000 0.000 0.290 201 S C 1.405 175.949 174.600 -0.094 0.000 1.276 201 S CA 0.665 58.848 58.200 -0.028 0.000 1.075 201 S CB 0.637 63.849 63.200 0.019 0.000 0.849 201 S HN 0.578 nan 8.310 nan 0.000 0.494 202 G N 2.767 111.520 108.800 -0.078 0.000 2.268 202 G HA2 -0.202 3.758 3.960 0.000 0.000 0.240 202 G HA3 -0.202 3.758 3.960 0.000 0.000 0.240 202 G C 0.550 175.408 174.900 -0.070 0.000 1.010 202 G CA -0.041 45.004 45.100 -0.093 0.000 0.618 202 G HN 1.106 nan 8.290 nan 0.000 0.516 203 G N 0.314 109.078 108.800 -0.059 0.000 2.590 203 G HA2 0.598 4.558 3.960 0.000 0.000 0.276 203 G HA3 0.598 4.558 3.960 0.000 0.000 0.276 203 G C 0.390 175.267 174.900 -0.039 0.000 1.337 203 G CA 0.690 45.761 45.100 -0.048 0.000 1.030 203 G HN 1.666 nan 8.290 nan 0.000 0.534 204 A N -0.896 121.902 122.820 -0.036 0.000 2.337 204 A HA 0.655 4.975 4.320 0.000 0.000 0.329 204 A C -0.590 176.972 177.584 -0.036 0.000 1.146 204 A CA -0.585 51.431 52.037 -0.036 0.000 0.800 204 A CB 1.355 20.330 19.000 -0.041 0.000 1.220 204 A HN 0.618 nan 8.150 nan 0.000 0.472 205 L N 4.339 125.542 121.223 -0.034 0.000 2.294 205 L HA 0.608 4.948 4.340 0.000 0.000 0.283 205 L C -0.752 176.084 176.870 -0.056 0.000 1.015 205 L CA -0.511 54.306 54.840 -0.039 0.000 0.831 205 L CB 1.049 43.095 42.059 -0.021 0.000 1.217 205 L HN 0.707 nan 8.230 nan 0.000 0.420 206 V N 2.159 122.029 119.914 -0.073 0.000 2.914 206 V HA 0.615 4.735 4.120 0.000 0.000 0.314 206 V C -0.254 175.781 176.094 -0.098 0.000 1.084 206 V CA -1.008 61.236 62.300 -0.094 0.000 0.963 206 V CB 1.828 33.599 31.823 -0.087 0.000 1.025 206 V HN 0.837 nan 8.190 nan 0.000 0.432 207 N N 1.808 120.446 118.700 -0.103 0.000 2.366 207 N HA 0.187 4.928 4.740 0.000 0.000 0.277 207 N C 1.378 176.847 175.510 -0.068 0.000 1.275 207 N CA 0.140 53.136 53.050 -0.090 0.000 0.964 207 N CB 0.258 38.697 38.487 -0.080 0.000 1.167 207 N HN 1.010 nan 8.380 nan 0.000 0.568 208 S N -1.132 114.546 115.700 -0.036 0.000 2.469 208 S HA -0.065 4.405 4.470 0.000 0.000 0.238 208 S C 1.344 175.969 174.600 0.041 0.000 0.998 208 S CA 0.514 58.739 58.200 0.041 0.000 0.957 208 S CB -0.730 62.549 63.200 0.132 0.000 0.764 208 S HN 0.517 nan 8.310 nan 0.000 0.514 209 L N 0.537 121.759 121.223 -0.001 0.000 2.607 209 L HA 0.390 4.730 4.340 0.000 0.000 0.228 209 L C 1.899 178.752 176.870 -0.029 0.000 1.123 209 L CA 0.288 55.122 54.840 -0.009 0.000 0.890 209 L CB -0.405 41.641 42.059 -0.022 0.000 1.103 209 L HN 0.569 nan 8.230 nan 0.000 0.468 210 G N 0.071 108.848 108.800 -0.038 0.000 2.199 210 G HA2 -0.258 3.703 3.960 0.000 0.000 0.254 210 G HA3 -0.258 3.703 3.960 0.000 0.000 0.254 210 G C 0.130 174.976 174.900 -0.090 0.000 0.982 210 G CA -0.250 44.819 45.100 -0.052 0.000 0.632 210 G HN 0.470 nan 8.290 nan 0.000 0.529 211 E N 0.293 120.421 120.200 -0.118 0.000 2.366 211 E HA 0.349 4.699 4.350 0.000 0.000 0.266 211 E C 0.474 176.924 176.600 -0.251 0.000 1.015 211 E CA -0.597 55.686 56.400 -0.195 0.000 0.906 211 E CB 1.156 30.723 29.700 -0.222 0.000 0.979 211 E HN 0.310 nan 8.360 nan 0.000 0.443 212 L N 4.537 125.583 121.223 -0.296 0.000 2.597 212 L HA -0.085 4.256 4.340 0.000 0.000 0.271 212 L C 0.595 177.220 176.870 -0.409 0.000 1.157 212 L CA 0.608 55.285 54.840 -0.272 0.000 0.928 212 L CB 0.264 42.204 42.059 -0.199 0.000 1.216 212 L HN 0.701 nan 8.230 nan 0.000 0.481 213 M N 3.602 123.094 119.600 -0.180 0.000 2.486 213 M HA 0.392 4.872 4.480 0.000 0.000 0.264 213 M C 0.842 177.258 176.300 0.193 0.000 1.125 213 M CA 0.679 55.965 55.300 -0.023 0.000 1.144 213 M CB -0.525 32.071 32.600 -0.006 0.000 1.353 213 M HN 0.711 nan 8.290 nan 0.000 0.466 214 G N -0.011 108.849 108.800 0.099 0.000 2.356 214 G HA2 0.443 4.403 3.960 0.000 0.000 0.294 214 G HA3 0.443 4.403 3.960 0.000 0.000 0.294 214 G C -1.592 173.329 174.900 0.034 0.000 1.423 214 G CA -0.772 44.392 45.100 0.106 0.000 0.806 214 G HN -0.021 nan 8.290 nan 0.000 0.527 215 I N 1.456 122.031 120.570 0.008 0.000 2.321 215 I HA 0.232 4.402 4.170 0.000 0.000 0.291 215 I C 0.342 176.434 176.117 -0.041 0.000 0.998 215 I CA -0.786 60.500 61.300 -0.024 0.000 1.227 215 I CB 0.657 38.635 38.000 -0.038 0.000 1.368 215 I HN 0.468 nan 8.210 nan 0.000 0.466 216 N N 4.027 122.710 118.700 -0.027 0.000 2.412 216 N HA 0.078 4.818 4.740 0.000 0.000 0.258 216 N C 0.675 176.180 175.510 -0.008 0.000 1.236 216 N CA 0.232 53.275 53.050 -0.011 0.000 0.882 216 N CB 1.139 39.625 38.487 -0.003 0.000 1.066 216 N HN 0.551 nan 8.380 nan 0.000 0.465 217 T N 1.478 116.039 114.554 0.012 0.000 3.085 217 T HA 0.236 4.586 4.350 0.000 0.000 0.241 217 T C -0.255 174.525 174.700 0.133 0.000 0.988 217 T CA 0.344 62.469 62.100 0.040 0.000 1.117 217 T CB 0.267 69.079 68.868 -0.093 0.000 0.978 217 T HN 0.201 nan 8.240 nan 0.000 0.454 218 L N -0.549 120.771 121.223 0.162 0.000 3.075 218 L HA 0.517 4.857 4.340 0.000 0.000 0.274 218 L C -1.128 175.898 176.870 0.261 0.000 1.006 218 L CA -0.611 54.337 54.840 0.181 0.000 0.972 218 L CB 1.426 43.559 42.059 0.123 0.000 1.515 218 L HN 0.116 nan 8.230 nan 0.000 0.402 219 S N 0.004 115.835 115.700 0.219 0.000 2.713 219 S HA 0.650 5.120 4.470 0.000 0.000 0.283 219 S C -0.874 173.935 174.600 0.348 0.000 1.161 219 S CA -0.363 57.983 58.200 0.245 0.000 0.999 219 S CB 0.606 63.909 63.200 0.171 0.000 1.039 219 S HN 0.397 nan 8.310 nan 0.000 0.548 220 F N 2.190 122.263 119.950 0.204 0.000 2.404 220 F HA 0.407 4.935 4.527 0.000 0.000 0.358 220 F C 0.469 176.346 175.800 0.129 0.000 1.120 220 F CA -0.225 57.917 58.000 0.236 0.000 1.144 220 F CB 0.812 39.978 39.000 0.278 0.000 1.133 220 F HN 0.626 nan 8.300 nan 0.000 0.495 221 D N 4.584 124.806 120.400 -0.297 0.000 2.469 221 D HA 0.112 4.752 4.640 0.000 0.000 0.213 221 D C 0.656 176.700 176.300 -0.427 0.000 1.135 221 D CA 0.174 54.039 54.000 -0.225 0.000 0.834 221 D CB 0.461 41.201 40.800 -0.100 0.000 1.009 221 D HN 0.576 nan 8.370 nan 0.000 0.507 222 K N -0.600 119.184 120.400 -1.027 0.000 5.647 222 K HA -0.231 4.089 4.320 0.000 0.000 0.463 222 K C 0.579 176.934 176.600 -0.407 0.000 1.759 222 K CA 1.499 57.272 56.287 -0.858 0.000 0.955 222 K CB -1.416 30.893 32.500 -0.318 0.000 1.358 222 K HN 0.086 nan 8.250 nan 0.000 0.433 223 S N -0.896 114.689 115.700 -0.192 0.000 2.648 223 S HA 0.216 4.686 4.470 0.000 0.000 0.270 223 S C 0.497 175.054 174.600 -0.072 0.000 1.082 223 S CA 0.362 58.496 58.200 -0.110 0.000 1.116 223 S CB -0.030 63.134 63.200 -0.061 0.000 1.040 223 S HN 0.698 nan 8.310 nan 0.000 0.572 224 N N 1.317 119.981 118.700 -0.061 0.000 3.539 224 N HA 0.470 5.211 4.740 0.000 0.000 0.329 224 N C -0.549 174.943 175.510 -0.030 0.000 1.510 224 N CA 0.010 53.039 53.050 -0.035 0.000 0.654 224 N CB 0.384 38.863 38.487 -0.015 0.000 2.690 224 N HN 0.162 nan 8.380 nan 0.000 0.567 225 D N -3.309 117.085 120.400 -0.010 0.000 3.849 225 D HA 0.535 5.175 4.640 0.000 0.000 0.211 225 D C 0.785 177.093 176.300 0.014 0.000 1.481 225 D CA 1.241 55.240 54.000 -0.001 0.000 1.143 225 D CB 0.267 41.066 40.800 -0.002 0.000 1.306 225 D HN 0.802 nan 8.370 nan 0.000 0.569 226 G N -0.634 108.175 108.800 0.014 0.000 2.336 226 G HA2 -0.145 3.815 3.960 0.000 0.000 0.233 226 G HA3 -0.145 3.815 3.960 0.000 0.000 0.233 226 G C 0.042 174.956 174.900 0.023 0.000 1.053 226 G CA 1.119 46.231 45.100 0.019 0.000 0.625 226 G HN 0.766 nan 8.290 nan 0.000 0.511 227 E N -1.604 118.613 120.200 0.027 0.000 2.331 227 E HA 0.570 4.920 4.350 0.000 0.000 0.263 227 E C -0.495 176.126 176.600 0.035 0.000 1.224 227 E CA -0.378 56.042 56.400 0.033 0.000 0.898 227 E CB -0.176 29.549 29.700 0.041 0.000 1.591 227 E HN 0.868 nan 8.360 nan 0.000 0.463 228 T N -1.526 113.056 114.554 0.046 0.000 2.855 228 T HA 0.713 5.063 4.350 0.000 0.000 0.281 228 T C -2.476 172.284 174.700 0.100 0.000 1.007 228 T CA -2.015 60.118 62.100 0.054 0.000 1.009 228 T CB 1.449 70.344 68.868 0.044 0.000 0.983 228 T HN 0.393 nan 8.240 nan 0.000 0.455 229 P HA 0.312 nan 4.420 nan 0.000 0.258 229 P C -0.350 177.058 177.300 0.180 0.000 1.647 229 P CA -0.350 62.908 63.100 0.263 0.000 1.099 229 P CB 0.445 32.549 31.700 0.674 0.000 1.604 230 E N 2.320 122.581 120.200 0.103 0.000 2.360 230 E HA 0.272 4.622 4.350 0.000 0.000 0.269 230 E C 0.837 177.460 176.600 0.037 0.000 1.022 230 E CA 0.115 56.553 56.400 0.063 0.000 0.887 230 E CB -0.005 29.718 29.700 0.039 0.000 0.990 230 E HN 0.680 nan 8.360 nan 0.000 0.426 231 G N 4.663 113.475 108.800 0.020 0.000 2.246 231 G HA2 -0.235 3.725 3.960 0.000 0.000 0.273 231 G HA3 -0.235 3.725 3.960 0.000 0.000 0.273 231 G C 0.052 174.913 174.900 -0.065 0.000 1.055 231 G CA 0.441 45.529 45.100 -0.019 0.000 0.851 231 G HN 0.547 nan 8.290 nan 0.000 0.500 232 I N 0.918 121.452 120.570 -0.059 0.000 2.623 232 I HA 0.508 4.678 4.170 0.000 0.000 0.275 232 I C 0.789 176.741 176.117 -0.274 0.000 1.108 232 I CA -0.373 60.803 61.300 -0.205 0.000 1.120 232 I CB 1.221 39.088 38.000 -0.223 0.000 1.249 232 I HN 0.206 nan 8.210 nan 0.000 0.500 233 G N 3.925 112.503 108.800 -0.370 0.000 2.454 233 G HA2 0.794 4.754 3.960 0.000 0.000 0.329 233 G HA3 0.794 4.754 3.960 0.000 0.000 0.329 233 G C -1.262 173.293 174.900 -0.576 0.000 1.177 233 G CA -0.365 44.549 45.100 -0.309 0.000 0.951 233 G HN 0.228 nan 8.290 nan 0.000 0.485 234 F N 0.009 120.022 119.950 0.105 0.000 2.546 234 F HA 0.749 5.276 4.527 0.000 0.000 0.320 234 F C 0.470 176.274 175.800 0.006 0.000 1.076 234 F CA -0.646 57.418 58.000 0.108 0.000 0.928 234 F CB 2.813 41.957 39.000 0.239 0.000 1.189 234 F HN 0.676 nan 8.300 nan 0.000 0.465 235 A N 2.504 125.417 122.820 0.155 0.000 2.515 235 A HA 0.777 5.097 4.320 0.000 0.000 0.298 235 A C -1.086 176.451 177.584 -0.078 0.000 1.059 235 A CA -0.696 51.341 52.037 -0.001 0.000 0.698 235 A CB 1.044 20.056 19.000 0.020 0.000 1.289 235 A HN 0.710 nan 8.150 nan 0.000 0.404 236 I N 2.549 123.000 120.570 -0.198 0.000 2.416 236 I HA 0.228 4.398 4.170 0.000 0.000 0.288 236 I C -2.060 174.048 176.117 -0.016 0.000 1.051 236 I CA -1.713 59.474 61.300 -0.187 0.000 1.375 236 I CB 1.225 39.083 38.000 -0.237 0.000 1.407 236 I HN 0.383 nan 8.210 nan 0.000 0.516 237 P HA -0.118 nan 4.420 nan 0.000 0.264 237 P C 0.501 177.817 177.300 0.026 0.000 1.179 237 P CA 0.111 63.237 63.100 0.044 0.000 0.763 237 P CB 0.286 31.980 31.700 -0.010 0.000 0.806 238 F N 1.827 121.764 119.950 -0.021 0.000 2.102 238 F HA -0.221 4.306 4.527 0.000 0.000 0.298 238 F C 1.867 177.653 175.800 -0.025 0.000 1.105 238 F CA 1.240 59.223 58.000 -0.028 0.000 1.239 238 F CB -1.304 37.677 39.000 -0.031 0.000 0.991 238 F HN 0.145 nan 8.300 nan 0.000 0.474 239 Q N 1.145 120.276 119.800 -1.115 0.000 2.217 239 Q HA -0.198 4.142 4.340 0.000 0.000 0.209 239 Q C 2.439 178.249 176.000 -0.317 0.000 0.988 239 Q CA 1.819 57.134 55.803 -0.814 0.000 0.878 239 Q CB -0.709 27.551 28.738 -0.797 0.000 0.909 239 Q HN 0.652 nan 8.270 nan 0.000 0.424 240 L N -0.664 120.434 121.223 -0.209 0.000 2.168 240 L HA -0.009 4.331 4.340 0.000 0.000 0.203 240 L C 2.104 178.933 176.870 -0.068 0.000 1.078 240 L CA 0.927 55.704 54.840 -0.104 0.000 0.780 240 L CB -0.358 41.670 42.059 -0.053 0.000 0.939 240 L HN 0.121 nan 8.230 nan 0.000 0.451 241 A N -0.388 122.403 122.820 -0.048 0.000 1.908 241 A HA -0.237 4.083 4.320 0.000 0.000 0.218 241 A C 2.193 179.760 177.584 -0.027 0.000 1.181 241 A CA 2.456 54.478 52.037 -0.025 0.000 0.627 241 A CB -1.026 17.978 19.000 0.006 0.000 0.818 241 A HN 0.450 nan 8.150 nan 0.000 0.445 242 T N -0.119 114.422 114.554 -0.023 0.000 2.622 242 T HA -0.175 4.175 4.350 0.000 0.000 0.266 242 T C 1.954 176.622 174.700 -0.052 0.000 1.047 242 T CA 1.853 63.939 62.100 -0.024 0.000 1.159 242 T CB -0.263 68.600 68.868 -0.007 0.000 0.863 242 T HN 0.566 nan 8.240 nan 0.000 0.422 243 K N 0.459 120.819 120.400 -0.066 0.000 2.015 243 K HA -0.110 4.210 4.320 0.000 0.000 0.216 243 K C 2.258 178.822 176.600 -0.060 0.000 1.052 243 K CA 1.608 57.856 56.287 -0.064 0.000 0.937 243 K CB -0.502 31.958 32.500 -0.068 0.000 0.719 243 K HN 0.328 nan 8.250 nan 0.000 0.446 244 I N 1.031 121.568 120.570 -0.055 0.000 2.194 244 I HA -0.347 3.824 4.170 0.000 0.000 0.246 244 I C 2.729 178.810 176.117 -0.059 0.000 1.093 244 I CA 1.261 62.531 61.300 -0.051 0.000 1.355 244 I CB -0.217 37.759 38.000 -0.040 0.000 1.046 244 I HN 0.334 nan 8.210 nan 0.000 0.413 245 M N 0.746 120.307 119.600 -0.066 0.000 2.065 245 M HA -0.278 4.202 4.480 0.000 0.000 0.259 245 M C 1.802 178.023 176.300 -0.131 0.000 1.069 245 M CA 2.125 57.370 55.300 -0.091 0.000 1.110 245 M CB -0.328 32.219 32.600 -0.090 0.000 1.328 245 M HN 0.145 nan 8.290 nan 0.000 0.405 246 D N 0.689 121.015 120.400 -0.123 0.000 2.133 246 D HA -0.185 4.455 4.640 0.000 0.000 0.195 246 D C 1.919 178.155 176.300 -0.107 0.000 0.997 246 D CA 1.555 55.476 54.000 -0.131 0.000 0.840 246 D CB -0.280 40.464 40.800 -0.094 0.000 0.947 246 D HN 0.495 nan 8.370 nan 0.000 0.452 247 K N 0.193 120.545 120.400 -0.079 0.000 2.001 247 K HA 0.008 4.328 4.320 0.000 0.000 0.208 247 K C 2.356 178.922 176.600 -0.057 0.000 1.048 247 K CA 0.366 56.617 56.287 -0.059 0.000 0.932 247 K CB -0.304 32.167 32.500 -0.048 0.000 0.715 247 K HN 0.113 nan 8.250 nan 0.000 0.437 248 L N 1.157 122.345 121.223 -0.059 0.000 2.263 248 L HA -0.220 4.120 4.340 0.000 0.000 0.216 248 L C 2.187 179.026 176.870 -0.052 0.000 1.111 248 L CA 1.014 55.827 54.840 -0.046 0.000 0.773 248 L CB -0.311 41.724 42.059 -0.041 0.000 0.906 248 L HN 0.259 nan 8.230 nan 0.000 0.439 249 I N -0.909 119.602 120.570 -0.098 0.000 2.385 249 I HA -0.208 3.962 4.170 0.000 0.000 0.244 249 I C 2.586 178.669 176.117 -0.056 0.000 1.089 249 I CA 0.664 61.895 61.300 -0.114 0.000 1.410 249 I CB -0.167 37.665 38.000 -0.279 0.000 1.117 249 I HN 0.146 nan 8.210 nan 0.000 0.429 250 R N 0.612 121.075 120.500 -0.062 0.000 2.328 250 R HA -0.119 4.222 4.340 0.000 0.000 0.207 250 R C 0.502 176.791 176.300 -0.018 0.000 1.056 250 R CA 1.394 57.474 56.100 -0.034 0.000 1.016 250 R CB 0.087 30.365 30.300 -0.038 0.000 0.872 250 R HN 0.378 nan 8.270 nan 0.000 0.471 251 D N -2.416 117.973 120.400 -0.017 0.000 2.460 251 D HA 0.124 4.764 4.640 0.000 0.000 0.263 251 D C 0.733 177.033 176.300 -0.001 0.000 1.209 251 D CA 0.699 54.695 54.000 -0.007 0.000 0.818 251 D CB 1.212 42.007 40.800 -0.009 0.000 1.239 251 D HN 0.300 nan 8.370 nan 0.000 0.530 252 G N 2.777 111.576 108.800 -0.001 0.000 2.220 252 G HA2 -0.320 3.640 3.960 0.000 0.000 0.269 252 G HA3 -0.320 3.640 3.960 0.000 0.000 0.269 252 G C 0.447 175.350 174.900 0.005 0.000 0.977 252 G CA 0.918 46.022 45.100 0.007 0.000 0.634 252 G HN 0.528 nan 8.290 nan 0.000 0.539 253 R N -2.054 118.445 120.500 -0.001 0.000 2.664 253 R HA 0.584 4.924 4.340 0.000 0.000 0.260 253 R C -1.254 175.042 176.300 -0.007 0.000 1.062 253 R CA -0.495 55.605 56.100 -0.000 0.000 0.902 253 R CB 1.251 31.556 30.300 0.007 0.000 1.258 253 R HN 0.811 nan 8.270 nan 0.000 0.465 254 V N 4.313 124.220 119.914 -0.011 0.000 2.427 254 V HA 0.359 4.479 4.120 0.000 0.000 0.268 254 V C -0.072 176.012 176.094 -0.016 0.000 1.046 254 V CA -0.410 61.877 62.300 -0.022 0.000 0.970 254 V CB 0.433 32.235 31.823 -0.034 0.000 1.001 254 V HN 0.654 nan 8.190 nan 0.000 0.476 255 I N 8.771 129.334 120.570 -0.012 0.000 2.301 255 I HA 0.431 4.601 4.170 0.000 0.000 0.292 255 I C 0.584 176.696 176.117 -0.007 0.000 1.046 255 I CA -0.112 61.189 61.300 0.003 0.000 1.282 255 I CB 0.418 38.424 38.000 0.009 0.000 1.409 255 I HN 0.534 nan 8.210 nan 0.000 0.484 256 R N 4.388 124.884 120.500 -0.007 0.000 2.474 256 R HA 0.491 4.831 4.340 0.000 0.000 0.295 256 R C 0.208 176.547 176.300 0.066 0.000 0.980 256 R CA -0.789 55.288 56.100 -0.038 0.000 0.934 256 R CB 1.667 31.834 30.300 -0.222 0.000 1.101 256 R HN 0.723 nan 8.270 nan 0.000 0.469 257 G N 2.267 111.106 108.800 0.065 0.000 2.365 257 G HA2 0.107 4.067 3.960 0.000 0.000 0.293 257 G HA3 0.107 4.067 3.960 0.000 0.000 0.293 257 G C -1.079 173.964 174.900 0.238 0.000 1.128 257 G CA -0.077 45.096 45.100 0.123 0.000 0.971 257 G HN 0.450 nan 8.290 nan 0.000 0.422 258 Y N 3.415 123.810 120.300 0.157 0.000 2.308 258 Y HA 0.645 5.196 4.550 0.000 0.000 0.329 258 Y C -0.255 175.701 175.900 0.092 0.000 1.111 258 Y CA -1.731 56.488 58.100 0.198 0.000 1.179 258 Y CB 1.210 39.770 38.460 0.166 0.000 1.201 258 Y HN 0.433 nan 8.280 nan 0.000 0.483 259 I N 4.797 125.063 120.570 -0.507 0.000 2.586 259 I HA 0.488 4.658 4.170 0.000 0.000 0.288 259 I C -0.959 174.623 176.117 -0.891 0.000 1.147 259 I CA -0.556 60.419 61.300 -0.541 0.000 1.047 259 I CB 1.523 39.399 38.000 -0.207 0.000 1.244 259 I HN 0.823 nan 8.210 nan 0.000 0.429 260 G N 8.680 116.846 108.800 -1.056 0.000 2.603 260 G HA2 0.713 4.673 3.960 0.000 0.000 0.324 260 G HA3 0.713 4.673 3.960 0.000 0.000 0.324 260 G C -0.899 173.881 174.900 -0.201 0.000 1.178 260 G CA -0.274 44.456 45.100 -0.617 0.000 1.023 260 G HN 0.530 nan 8.290 nan 0.000 0.482 261 I N 0.658 121.182 120.570 -0.077 0.000 2.961 261 I HA 0.558 4.728 4.170 0.000 0.000 0.303 261 I C 0.525 176.643 176.117 0.003 0.000 1.505 261 I CA -1.029 60.248 61.300 -0.038 0.000 0.964 261 I CB 2.263 40.230 38.000 -0.055 0.000 1.348 261 I HN 0.592 nan 8.210 nan 0.000 0.508 262 G N 0.479 109.282 108.800 0.004 0.000 3.310 262 G HA2 0.870 4.830 3.960 0.000 0.000 0.174 262 G HA3 0.870 4.830 3.960 0.000 0.000 0.174 262 G C -0.170 174.733 174.900 0.004 0.000 1.097 262 G CA -0.226 44.881 45.100 0.013 0.000 0.795 262 G HN 1.347 nan 8.290 nan 0.000 0.670 263 G N -2.425 106.377 108.800 0.003 0.000 2.297 263 G HA2 0.620 4.580 3.960 0.000 0.000 0.209 263 G HA3 0.620 4.580 3.960 0.000 0.000 0.209 263 G C -0.369 174.531 174.900 -0.000 0.000 1.267 263 G CA 0.936 46.036 45.100 -0.000 0.000 1.127 263 G HN 2.107 nan 8.290 nan 0.000 0.498 282 I N 1.819 122.385 120.570 -0.006 0.000 2.307 282 I HA 0.544 4.714 4.170 0.000 0.000 0.289 282 I C 0.096 176.209 176.117 -0.007 0.000 1.021 282 I CA -0.777 60.519 61.300 -0.006 0.000 1.224 282 I CB 0.821 38.816 38.000 -0.007 0.000 1.376 282 I HN 0.252 nan 8.210 nan 0.000 0.470 283 V N 7.728 127.638 119.914 -0.006 0.000 2.694 283 V HA -0.052 4.068 4.120 0.000 0.000 0.306 283 V C 0.540 176.630 176.094 -0.006 0.000 1.054 283 V CA -0.056 62.240 62.300 -0.006 0.000 1.161 283 V CB 1.056 32.877 31.823 -0.004 0.000 0.916 283 V HN 0.563 nan 8.190 nan 0.000 0.490 284 V N 4.786 124.696 119.914 -0.007 0.000 2.412 284 V HA 0.180 4.300 4.120 0.000 0.000 0.270 284 V C 0.423 176.512 176.094 -0.007 0.000 1.169 284 V CA -0.459 61.836 62.300 -0.009 0.000 1.319 284 V CB -0.161 31.654 31.823 -0.013 0.000 1.467 284 V HN 0.960 nan 8.190 nan 0.000 0.535 285 N N 2.770 121.468 118.700 -0.005 0.000 2.415 285 N HA 0.172 4.912 4.740 0.000 0.000 0.246 285 N C 0.129 175.639 175.510 -0.001 0.000 1.078 285 N CA 0.010 53.058 53.050 -0.003 0.000 0.942 285 N CB 0.333 38.819 38.487 -0.002 0.000 1.140 285 N HN 0.496 nan 8.380 nan 0.000 0.501 286 E N 2.346 122.545 120.200 -0.002 0.000 3.243 286 E HA -0.188 4.162 4.350 0.000 0.000 0.178 286 E C -1.606 174.993 176.600 -0.002 0.000 1.421 286 E CA 0.638 57.038 56.400 -0.001 0.000 0.787 286 E CB -1.301 28.401 29.700 0.003 0.000 1.099 286 E HN 0.631 nan 8.360 nan 0.000 0.396 287 V N 1.773 121.683 119.914 -0.007 0.000 2.412 287 V HA 0.624 4.744 4.120 0.000 0.000 0.270 287 V C 1.300 177.387 176.094 -0.011 0.000 1.169 287 V CA 0.877 63.170 62.300 -0.012 0.000 1.319 287 V CB 0.712 32.522 31.823 -0.021 0.000 1.467 287 V HN 0.556 nan 8.190 nan 0.000 0.535 288 S N 1.960 117.658 115.700 -0.003 0.000 2.539 288 S HA 0.481 4.951 4.470 0.000 0.000 0.221 288 S C -0.605 174.000 174.600 0.008 0.000 0.987 288 S CA -0.463 57.737 58.200 -0.000 0.000 0.929 288 S CB -0.481 62.719 63.200 0.001 0.000 0.832 288 S HN 0.619 nan 8.310 nan 0.000 0.492 289 P HA 0.062 nan 4.420 nan 0.000 0.269 289 P C -0.003 177.311 177.300 0.022 0.000 1.205 289 P CA 0.128 63.254 63.100 0.043 0.000 0.780 289 P CB 0.570 32.324 31.700 0.090 0.000 0.858 290 D N 0.228 120.648 120.400 0.034 0.000 2.422 290 D HA -0.008 4.632 4.640 0.000 0.000 0.218 290 D C 1.313 177.626 176.300 0.021 0.000 1.047 290 D CA 0.401 54.410 54.000 0.017 0.000 0.885 290 D CB -0.532 40.276 40.800 0.013 0.000 1.035 290 D HN 0.411 nan 8.370 nan 0.000 0.502 291 G N 2.399 111.239 108.800 0.066 0.000 3.268 291 G HA2 -0.248 3.712 3.960 0.000 0.000 0.295 291 G HA3 -0.248 3.712 3.960 0.000 0.000 0.295 291 G C -0.891 174.014 174.900 0.007 0.000 0.916 291 G CA 1.603 46.758 45.100 0.093 0.000 0.901 291 G HN 0.221 nan 8.290 nan 0.000 1.124 292 P HA -0.012 nan 4.420 nan 0.000 0.219 292 P C 2.102 179.341 177.300 -0.102 0.000 1.150 292 P CA 2.112 65.157 63.100 -0.091 0.000 0.814 292 P CB -0.343 31.270 31.700 -0.146 0.000 0.787 293 A N 1.304 124.041 122.820 -0.138 0.000 1.848 293 A HA -0.225 4.095 4.320 0.000 0.000 0.217 293 A C 2.467 180.017 177.584 -0.056 0.000 1.220 293 A CA 2.985 54.963 52.037 -0.098 0.000 0.645 293 A CB -1.753 17.190 19.000 -0.095 0.000 0.842 293 A HN 0.195 nan 8.150 nan 0.000 0.451 294 A N 0.129 122.924 122.820 -0.041 0.000 1.881 294 A HA -0.294 4.026 4.320 0.000 0.000 0.219 294 A C 1.601 179.173 177.584 -0.020 0.000 1.215 294 A CA 2.101 54.124 52.037 -0.024 0.000 0.648 294 A CB -1.153 17.839 19.000 -0.013 0.000 0.832 294 A HN 0.622 nan 8.150 nan 0.000 0.455 295 N N 0.325 119.014 118.700 -0.018 0.000 2.786 295 N HA 0.085 4.825 4.740 0.000 0.000 0.201 295 N C 0.280 175.781 175.510 -0.015 0.000 1.405 295 N CA 1.124 54.167 53.050 -0.013 0.000 0.959 295 N CB -0.365 38.117 38.487 -0.009 0.000 1.092 295 N HN 0.720 nan 8.380 nan 0.000 0.449 296 A N -1.899 120.910 122.820 -0.018 0.000 2.089 296 A HA 0.506 4.826 4.320 0.000 0.000 0.232 296 A C 0.726 178.300 177.584 -0.017 0.000 2.448 296 A CA 0.027 52.055 52.037 -0.016 0.000 1.981 296 A CB -0.403 18.588 19.000 -0.015 0.000 0.555 296 A HN 0.416 nan 8.150 nan 0.000 0.915 297 G N -0.323 108.467 108.800 -0.016 0.000 2.214 297 G HA2 0.501 4.461 3.960 0.000 0.000 0.200 297 G HA3 0.501 4.461 3.960 0.000 0.000 0.200 297 G C 1.139 176.028 174.900 -0.018 0.000 1.126 297 G CA 0.717 45.808 45.100 -0.016 0.000 1.284 297 G HN 2.198 nan 8.290 nan 0.000 0.493 298 I N 0.849 121.407 120.570 -0.021 0.000 3.107 298 I HA 0.246 4.416 4.170 0.000 0.000 0.280 298 I C 0.649 176.754 176.117 -0.020 0.000 0.972 298 I CA 1.974 63.260 61.300 -0.023 0.000 2.258 298 I CB -0.676 37.305 38.000 -0.032 0.000 0.922 298 I HN 0.874 nan 8.210 nan 0.000 0.390 299 Q N 3.077 122.866 119.800 -0.018 0.000 2.241 299 Q HA 0.619 4.959 4.340 0.000 0.000 0.262 299 Q C 0.881 176.872 176.000 -0.014 0.000 1.014 299 Q CA -0.112 55.683 55.803 -0.014 0.000 0.885 299 Q CB 1.786 30.517 28.738 -0.012 0.000 1.311 299 Q HN 1.191 nan 8.270 nan 0.000 0.461 300 V N 2.021 121.929 119.914 -0.011 0.000 3.602 300 V HA 0.072 4.192 4.120 0.000 0.000 0.289 300 V C -0.581 175.508 176.094 -0.008 0.000 1.265 300 V CA 0.834 63.128 62.300 -0.010 0.000 1.202 300 V CB -1.070 30.749 31.823 -0.007 0.000 1.012 300 V HN 0.784 nan 8.190 nan 0.000 0.431 301 N N 1.092 119.786 118.700 -0.009 0.000 4.308 301 N HA 0.154 4.895 4.740 0.000 0.000 0.168 301 N C -1.454 174.051 175.510 -0.008 0.000 1.348 301 N CA 0.113 53.158 53.050 -0.008 0.000 0.882 301 N CB 0.601 39.084 38.487 -0.006 0.000 1.713 301 N HN 0.498 nan 8.380 nan 0.000 0.818 302 D N 0.946 121.341 120.400 -0.009 0.000 2.946 302 D HA 0.349 4.989 4.640 0.000 0.000 0.337 302 D C -1.135 175.160 176.300 -0.009 0.000 1.332 302 D CA -0.549 53.445 54.000 -0.009 0.000 0.935 302 D CB 1.356 42.149 40.800 -0.010 0.000 1.440 302 D HN 0.219 nan 8.370 nan 0.000 0.540 303 L N 0.786 122.004 121.223 -0.009 0.000 2.404 303 L HA 0.399 4.739 4.340 0.000 0.000 0.272 303 L C -1.121 175.743 176.870 -0.010 0.000 0.980 303 L CA -0.828 54.006 54.840 -0.009 0.000 0.836 303 L CB 1.090 43.144 42.059 -0.007 0.000 1.238 303 L HN 0.272 nan 8.230 nan 0.000 0.408 304 I N 5.196 125.760 120.570 -0.011 0.000 2.662 304 I HA 0.090 4.260 4.170 0.000 0.000 0.291 304 I C 0.919 177.030 176.117 -0.010 0.000 1.046 304 I CA -0.119 61.173 61.300 -0.012 0.000 1.361 304 I CB 1.360 39.351 38.000 -0.015 0.000 1.429 304 I HN 0.673 nan 8.210 nan 0.000 0.558 305 I N 2.140 122.704 120.570 -0.010 0.000 3.194 305 I HA 0.011 4.181 4.170 0.000 0.000 0.271 305 I C 0.888 176.999 176.117 -0.009 0.000 1.150 305 I CA 0.916 62.211 61.300 -0.008 0.000 1.440 305 I CB -0.159 37.837 38.000 -0.008 0.000 1.276 305 I HN 0.651 nan 8.210 nan 0.000 0.457 306 S N 1.697 117.391 115.700 -0.010 0.000 2.672 306 S HA 0.546 5.017 4.470 0.000 0.000 0.291 306 S C -0.605 173.989 174.600 -0.011 0.000 1.145 306 S CA -0.684 57.510 58.200 -0.009 0.000 1.013 306 S CB 1.728 64.923 63.200 -0.008 0.000 1.017 306 S HN -0.051 nan 8.310 nan 0.000 0.487 307 V N 2.989 122.896 119.914 -0.011 0.000 2.479 307 V HA 0.271 4.391 4.120 0.000 0.000 0.281 307 V C 1.337 177.424 176.094 -0.011 0.000 1.031 307 V CA 0.038 62.330 62.300 -0.013 0.000 1.038 307 V CB -0.543 31.273 31.823 -0.012 0.000 0.981 307 V HN 1.162 nan 8.190 nan 0.000 0.478 308 D N 3.844 124.237 120.400 -0.012 0.000 3.740 308 D HA -0.280 4.360 4.640 0.000 0.000 0.147 308 D C 0.538 176.833 176.300 -0.009 0.000 0.885 308 D CA 2.171 56.165 54.000 -0.010 0.000 1.051 308 D CB -0.290 40.505 40.800 -0.009 0.000 0.480 308 D HN 0.737 nan 8.370 nan 0.000 0.469 309 N N 1.474 120.169 118.700 -0.008 0.000 2.467 309 N HA 0.242 4.982 4.740 0.000 0.000 0.278 309 N C -0.718 174.788 175.510 -0.006 0.000 1.306 309 N CA 0.037 53.083 53.050 -0.007 0.000 0.905 309 N CB 1.061 39.544 38.487 -0.006 0.000 1.236 309 N HN 0.148 nan 8.380 nan 0.000 0.509 310 K N 0.190 120.586 120.400 -0.007 0.000 2.536 310 K HA 0.519 4.839 4.320 0.000 0.000 0.269 310 K C -2.716 173.880 176.600 -0.007 0.000 0.965 310 K CA -1.873 54.410 56.287 -0.006 0.000 0.860 310 K CB 1.660 34.156 32.500 -0.007 0.000 1.423 310 K HN -0.205 nan 8.250 nan 0.000 0.438 311 P HA -0.055 nan 4.420 nan 0.000 0.266 311 P C -1.055 176.241 177.300 -0.007 0.000 1.180 311 P CA 0.346 63.442 63.100 -0.006 0.000 0.765 311 P CB 0.453 32.150 31.700 -0.005 0.000 0.806 312 A N 3.229 126.045 122.820 -0.007 0.000 3.154 312 A HA 0.256 4.576 4.320 0.000 0.000 0.310 312 A C 1.340 178.920 177.584 -0.006 0.000 1.093 312 A CA -0.413 51.620 52.037 -0.007 0.000 1.006 312 A CB -0.964 18.031 19.000 -0.009 0.000 1.084 312 A HN 0.494 nan 8.150 nan 0.000 0.549 313 I N 0.410 120.977 120.570 -0.006 0.000 2.099 313 I HA -0.178 3.992 4.170 0.000 0.000 0.239 313 I C 1.547 177.661 176.117 -0.005 0.000 1.066 313 I CA 1.577 62.874 61.300 -0.005 0.000 1.324 313 I CB -0.199 37.799 38.000 -0.004 0.000 1.037 313 I HN 0.594 nan 8.210 nan 0.000 0.401 314 S N -0.339 115.358 115.700 -0.005 0.000 2.648 314 S HA 0.694 5.164 4.470 0.000 0.000 0.305 314 S C 0.475 175.072 174.600 -0.005 0.000 1.094 314 S CA -0.316 57.882 58.200 -0.005 0.000 0.983 314 S CB 2.127 65.324 63.200 -0.005 0.000 1.101 314 S HN 0.174 nan 8.310 nan 0.000 0.514 315 A N 0.903 123.721 122.820 -0.004 0.000 1.874 315 A HA 0.194 4.515 4.320 0.000 0.000 0.214 315 A C 1.965 179.548 177.584 -0.001 0.000 1.189 315 A CA 0.645 52.681 52.037 -0.002 0.000 0.615 315 A CB -1.084 17.915 19.000 -0.001 0.000 0.830 315 A HN 0.801 nan 8.150 nan 0.000 0.443 316 L N -0.679 120.542 121.223 -0.004 0.000 1.943 316 L HA -0.221 4.119 4.340 0.000 0.000 0.215 316 L C 2.637 179.503 176.870 -0.007 0.000 1.074 316 L CA 2.022 56.858 54.840 -0.006 0.000 0.759 316 L CB -0.744 41.309 42.059 -0.010 0.000 0.888 316 L HN 0.552 nan 8.230 nan 0.000 0.433 317 E N -0.683 119.512 120.200 -0.008 0.000 2.333 317 E HA -0.219 4.131 4.350 0.000 0.000 0.200 317 E C 1.773 178.368 176.600 -0.009 0.000 1.010 317 E CA 1.497 57.892 56.400 -0.009 0.000 0.841 317 E CB 0.142 29.837 29.700 -0.008 0.000 0.757 317 E HN 0.457 nan 8.360 nan 0.000 0.508 318 T N 0.312 114.862 114.554 -0.006 0.000 2.814 318 T HA -0.057 4.293 4.350 0.000 0.000 0.254 318 T C 1.730 176.428 174.700 -0.003 0.000 1.037 318 T CA 0.883 62.979 62.100 -0.006 0.000 1.143 318 T CB 0.013 68.877 68.868 -0.006 0.000 0.866 318 T HN 0.148 nan 8.240 nan 0.000 0.431 319 M N 1.705 121.308 119.600 0.003 0.000 2.108 319 M HA -0.104 4.376 4.480 0.000 0.000 0.261 319 M C 1.637 177.939 176.300 0.002 0.000 1.066 319 M CA 1.466 56.775 55.300 0.015 0.000 1.107 319 M CB -1.410 31.208 32.600 0.030 0.000 1.356 319 M HN 0.148 nan 8.290 nan 0.000 0.406 320 D N 0.156 120.550 120.400 -0.009 0.000 2.354 320 D HA -0.142 4.498 4.640 0.000 0.000 0.216 320 D C 2.108 178.396 176.300 -0.020 0.000 0.970 320 D CA 0.858 54.846 54.000 -0.020 0.000 0.905 320 D CB -0.036 40.751 40.800 -0.022 0.000 0.903 320 D HN 0.536 nan 8.370 nan 0.000 0.508 321 Q N -0.687 119.106 119.800 -0.012 0.000 2.287 321 Q HA 0.038 4.379 4.340 0.000 0.000 0.201 321 Q C 2.252 178.249 176.000 -0.006 0.000 0.946 321 Q CA 0.236 56.032 55.803 -0.011 0.000 0.868 321 Q CB 0.307 29.039 28.738 -0.010 0.000 0.967 321 Q HN 0.129 nan 8.270 nan 0.000 0.516 322 V N 1.660 121.574 119.914 -0.000 0.000 2.324 322 V HA -0.321 3.799 4.120 0.000 0.000 0.250 322 V C 2.316 178.422 176.094 0.020 0.000 1.060 322 V CA 2.053 64.359 62.300 0.009 0.000 1.042 322 V CB -1.037 30.795 31.823 0.015 0.000 0.650 322 V HN 0.393 nan 8.190 nan 0.000 0.450 323 A N -0.398 122.427 122.820 0.009 0.000 2.019 323 A HA -0.198 4.122 4.320 0.000 0.000 0.219 323 A C 1.991 179.565 177.584 -0.017 0.000 1.164 323 A CA 1.675 53.705 52.037 -0.012 0.000 0.644 323 A CB -0.392 18.567 19.000 -0.068 0.000 0.805 323 A HN 0.525 nan 8.150 nan 0.000 0.449 324 E N -0.204 119.986 120.200 -0.016 0.000 2.320 324 E HA 0.157 4.507 4.350 0.000 0.000 0.189 324 E C -0.648 175.948 176.600 -0.007 0.000 1.100 324 E CA 0.018 56.408 56.400 -0.017 0.000 1.009 324 E CB -0.138 29.549 29.700 -0.022 0.000 1.145 324 E HN 0.348 nan 8.360 nan 0.000 0.454 325 I N 1.809 122.381 120.570 0.003 0.000 2.420 325 I HA 0.287 4.457 4.170 0.000 0.000 0.282 325 I C 0.233 176.360 176.117 0.016 0.000 1.019 325 I CA -0.631 60.674 61.300 0.007 0.000 1.130 325 I CB 1.182 39.187 38.000 0.009 0.000 1.262 325 I HN -0.013 nan 8.210 nan 0.000 0.454 326 R N 5.721 126.228 120.500 0.012 0.000 2.638 326 R HA 0.104 4.444 4.340 0.000 0.000 0.268 326 R C -2.088 174.227 176.300 0.025 0.000 1.006 326 R CA -1.027 55.084 56.100 0.017 0.000 1.088 326 R CB 0.085 30.392 30.300 0.011 0.000 0.950 326 R HN 0.287 nan 8.270 nan 0.000 0.419 327 P HA -0.110 nan 4.420 nan 0.000 0.270 327 P C 0.686 178.002 177.300 0.027 0.000 1.221 327 P CA 0.914 64.038 63.100 0.040 0.000 0.788 327 P CB 0.482 32.210 31.700 0.046 0.000 0.904 328 G N -0.265 108.551 108.800 0.027 0.000 2.435 328 G HA2 -0.286 3.674 3.960 0.000 0.000 0.245 328 G HA3 -0.286 3.674 3.960 0.000 0.000 0.245 328 G C 0.660 175.567 174.900 0.013 0.000 1.073 328 G CA 0.541 45.652 45.100 0.018 0.000 0.638 328 G HN 0.634 nan 8.290 nan 0.000 0.521 329 S N -0.563 115.145 115.700 0.013 0.000 2.587 329 S HA 0.498 4.969 4.470 0.000 0.000 0.260 329 S C 0.286 174.889 174.600 0.005 0.000 1.353 329 S CA 0.506 58.710 58.200 0.008 0.000 0.995 329 S CB 1.712 64.916 63.200 0.007 0.000 0.912 329 S HN 1.089 nan 8.310 nan 0.000 0.568 330 V N 1.693 121.608 119.914 0.001 0.000 2.841 330 V HA 0.660 4.780 4.120 0.000 0.000 0.310 330 V C -0.471 175.620 176.094 -0.004 0.000 1.090 330 V CA -0.789 61.509 62.300 -0.002 0.000 0.930 330 V CB 1.490 33.311 31.823 -0.002 0.000 1.014 330 V HN 0.836 nan 8.190 nan 0.000 0.425 331 I N 1.126 121.691 120.570 -0.008 0.000 2.802 331 I HA 0.736 4.906 4.170 0.000 0.000 0.298 331 I C -2.928 173.183 176.117 -0.011 0.000 1.176 331 I CA -2.456 58.839 61.300 -0.009 0.000 1.025 331 I CB 3.038 41.033 38.000 -0.009 0.000 1.243 331 I HN 0.429 nan 8.210 nan 0.000 0.424 332 P HA 0.167 nan 4.420 nan 0.000 0.280 332 P C -0.658 176.634 177.300 -0.012 0.000 1.300 332 P CA -0.082 63.011 63.100 -0.010 0.000 0.785 332 P CB 1.314 33.009 31.700 -0.008 0.000 0.874 333 V N 5.445 125.350 119.914 -0.015 0.000 2.370 333 V HA 0.088 4.208 4.120 0.000 0.000 0.279 333 V C 1.564 177.649 176.094 -0.014 0.000 1.029 333 V CA -0.420 61.870 62.300 -0.017 0.000 0.870 333 V CB 1.432 33.242 31.823 -0.022 0.000 0.984 333 V HN 0.312 nan 8.190 nan 0.000 0.451 334 V N 5.334 125.240 119.914 -0.013 0.000 2.672 334 V HA 0.150 4.270 4.120 0.000 0.000 0.126 334 V C 1.304 177.391 176.094 -0.012 0.000 0.826 334 V CA 1.029 63.322 62.300 -0.011 0.000 1.391 334 V CB -0.214 31.603 31.823 -0.010 0.000 0.892 334 V HN 0.758 nan 8.190 nan 0.000 0.387 342 L N 0.841 122.060 121.223 -0.007 0.000 2.494 342 L HA 0.986 5.326 4.340 0.000 0.000 0.251 342 L C 0.964 177.829 176.870 -0.008 0.000 1.119 342 L CA -0.027 54.809 54.840 -0.007 0.000 1.026 342 L CB -0.187 41.867 42.059 -0.007 0.000 1.370 342 L HN 1.305 nan 8.230 nan 0.000 0.426 343 T N 0.983 115.532 114.554 -0.008 0.000 2.695 343 T HA 0.588 4.939 4.350 0.000 0.000 0.264 343 T C 0.178 174.872 174.700 -0.009 0.000 0.993 343 T CA 1.017 63.112 62.100 -0.008 0.000 1.248 343 T CB -0.867 67.996 68.868 -0.007 0.000 0.946 343 T HN 2.207 nan 8.240 nan 0.000 0.526 344 L N 4.717 125.933 121.223 -0.011 0.000 2.294 344 L HA 0.743 5.083 4.340 0.000 0.000 0.283 344 L C 0.420 177.282 176.870 -0.013 0.000 1.015 344 L CA -1.353 53.480 54.840 -0.012 0.000 0.831 344 L CB 0.505 42.556 42.059 -0.013 0.000 1.217 344 L HN 1.036 nan 8.230 nan 0.000 0.420 345 Q N 2.082 121.875 119.800 -0.012 0.000 2.394 345 Q HA 0.719 5.060 4.340 0.000 0.000 0.248 345 Q C -0.959 175.032 176.000 -0.015 0.000 0.992 345 Q CA -0.319 55.477 55.803 -0.012 0.000 0.888 345 Q CB 1.518 30.251 28.738 -0.009 0.000 1.257 345 Q HN 0.610 nan 8.270 nan 0.000 0.462 346 V N 1.297 121.201 119.914 -0.017 0.000 2.888 346 V HA 0.392 4.512 4.120 0.000 0.000 0.309 346 V C -0.456 175.628 176.094 -0.016 0.000 1.114 346 V CA -0.737 61.550 62.300 -0.020 0.000 0.940 346 V CB 2.211 34.014 31.823 -0.032 0.000 1.021 346 V HN 1.007 nan 8.190 nan 0.000 0.426 347 T N 1.299 115.846 114.554 -0.012 0.000 2.744 347 T HA 0.726 5.076 4.350 0.000 0.000 0.291 347 T C -0.453 174.245 174.700 -0.003 0.000 0.957 347 T CA -0.391 61.707 62.100 -0.004 0.000 1.002 347 T CB 0.622 69.491 68.868 0.002 0.000 0.919 347 T HN 0.261 nan 8.240 nan 0.000 0.468 348 I N 3.316 123.888 120.570 0.005 0.000 2.529 348 I HA 0.213 4.383 4.170 0.000 0.000 0.284 348 I C 0.962 177.106 176.117 0.045 0.000 1.082 348 I CA 0.280 61.590 61.300 0.017 0.000 1.406 348 I CB 0.590 38.603 38.000 0.023 0.000 1.405 348 I HN 0.710 nan 8.210 nan 0.000 0.548 349 Q N 3.554 123.401 119.800 0.077 0.000 2.448 349 Q HA 0.512 4.852 4.340 0.000 0.000 0.192 349 Q C -0.499 175.598 176.000 0.161 0.000 1.001 349 Q CA -0.916 54.956 55.803 0.115 0.000 1.018 349 Q CB 0.973 29.799 28.738 0.148 0.000 1.290 349 Q HN 0.557 nan 8.270 nan 0.000 0.517 350 E N 0.196 120.492 120.200 0.161 0.000 2.176 350 E HA 0.168 4.518 4.350 0.000 0.000 0.267 350 E C -1.394 175.308 176.600 0.169 0.000 0.893 350 E CA -0.530 55.968 56.400 0.163 0.000 0.761 350 E CB 0.817 30.575 29.700 0.096 0.000 1.133 350 E HN 0.406 nan 8.360 nan 0.000 0.409 351 Y N 4.599 124.919 120.300 0.033 0.000 3.137 351 Y HA -0.131 4.420 4.550 0.000 0.000 0.348 351 Y C -1.703 174.081 175.900 -0.193 0.000 1.275 351 Y CA -0.079 57.934 58.100 -0.145 0.000 1.516 351 Y CB 0.245 38.658 38.460 -0.078 0.000 1.268 351 Y HN 0.460 nan 8.280 nan 0.000 0.644 352 P HA 0.294 nan 4.420 nan 0.000 0.276 352 P C -1.066 176.155 177.300 -0.132 0.000 1.244 352 P CA -0.294 62.611 63.100 -0.324 0.000 0.801 352 P CB 0.937 32.348 31.700 -0.482 0.000 1.006 353 A N 0.000 122.772 122.820 -0.079 0.000 2.254 353 A HA 0.000 4.320 4.320 0.000 0.000 0.244 353 A CA 0.000 52.022 52.037 -0.026 0.000 0.836 353 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 353 A HN 0.000 nan 8.150 nan 0.000 0.486