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 2eo5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLSRKIIEES DIYLATSTRD PELFPLVIDH GEGVWIYDVD GNKYLDFTSG DATA SEQUENCE IGVNNLGWPS HPEVIKIGIE QMQKLAHAAA NDFYNIPQLE LAKKLVTYSP DATA SEQUENCE GNFQKKVFFS NSGTEAIEAS IKVVKNTGRK YIIAFLGGFH GRTFGSISLT DATA SEQUENCE ASKAVQRSIV GPFMPGVIHV PYPNPYRNPW HINGYENPSE LVNRVIEFIE DATA SEQUENCE DYIFVNLVPP EEVAGIFFEP IQGEGGYVIP PKNFFAELQK LAKKYGILLV DATA SEQUENCE DDEVQMGLGR TGKLFAIENF NTVPDVITLA KALGGGIMPI GATIFRKDLD DATA SEQUENCE FKXXXXXXTF GGNALACAIG SKVIDIVKDL LPHVNEIGKI FAEELQGLAD DATA SEQUENCE DVRGIGLAWG LEYNEKKVRD RIIGESFKRG LLLLPAGRSA IRVIPPLVIS DATA SEQUENCE EEEAKQGLDI LKKVIKVV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.323 176.300 0.038 0.000 1.140 1 M CA 0.000 55.320 55.300 0.033 0.000 0.988 1 M CB 0.000 32.617 32.600 0.028 0.000 1.302 2 L N -0.637 120.611 121.223 0.042 0.000 2.083 2 L HA -0.005 4.334 4.340 -0.001 0.000 0.209 2 L C 2.143 179.044 176.870 0.052 0.000 1.083 2 L CA 1.953 56.820 54.840 0.045 0.000 0.752 2 L CB -1.257 40.830 42.059 0.048 0.000 0.899 2 L HN 0.534 nan 8.230 nan 0.000 0.433 3 S N -0.476 115.260 115.700 0.059 0.000 2.359 3 S HA -0.311 4.159 4.470 -0.001 0.000 0.222 3 S C 2.128 176.764 174.600 0.059 0.000 1.038 3 S CA 1.778 60.018 58.200 0.066 0.000 1.051 3 S CB -0.403 62.845 63.200 0.079 0.000 0.944 3 S HN 0.375 nan 8.310 nan 0.000 0.433 4 R N 1.276 121.808 120.500 0.054 0.000 2.103 4 R HA -0.197 4.143 4.340 -0.001 0.000 0.242 4 R C 2.251 178.577 176.300 0.044 0.000 1.142 4 R CA 1.881 58.009 56.100 0.047 0.000 0.960 4 R CB -0.209 30.116 30.300 0.040 0.000 0.858 4 R HN 0.165 nan 8.270 nan 0.000 0.439 5 K N 0.679 121.105 120.400 0.044 0.000 2.057 5 K HA -0.067 4.252 4.320 -0.001 0.000 0.206 5 K C 1.787 178.419 176.600 0.054 0.000 1.050 5 K CA 1.626 57.940 56.287 0.044 0.000 0.935 5 K CB -0.250 32.276 32.500 0.042 0.000 0.715 5 K HN 0.296 nan 8.250 nan 0.000 0.439 6 I N 0.266 120.871 120.570 0.058 0.000 2.252 6 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 6 I C 2.117 178.274 176.117 0.067 0.000 1.102 6 I CA 1.054 62.393 61.300 0.066 0.000 1.385 6 I CB -0.197 37.842 38.000 0.064 0.000 1.064 6 I HN 0.113 nan 8.210 nan 0.000 0.414 7 I N 0.657 121.262 120.570 0.058 0.000 2.179 7 I HA -0.277 3.892 4.170 -0.001 0.000 0.242 7 I C 2.472 178.615 176.117 0.044 0.000 1.088 7 I CA 1.557 62.887 61.300 0.051 0.000 1.357 7 I CB -0.442 37.585 38.000 0.046 0.000 1.051 7 I HN 0.257 nan 8.210 nan 0.000 0.409 8 E N 0.583 120.806 120.200 0.038 0.000 2.031 8 E HA -0.285 4.064 4.350 -0.001 0.000 0.193 8 E C 2.107 178.720 176.600 0.021 0.000 0.994 8 E CA 1.368 57.782 56.400 0.023 0.000 0.800 8 E CB -0.192 29.520 29.700 0.020 0.000 0.752 8 E HN 0.475 nan 8.360 nan 0.000 0.447 9 E N 0.516 120.748 120.200 0.054 0.000 2.077 9 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 9 E C 2.127 178.816 176.600 0.149 0.000 0.989 9 E CA 1.041 57.497 56.400 0.094 0.000 0.800 9 E CB 0.137 29.930 29.700 0.156 0.000 0.746 9 E HN 0.031 nan 8.360 nan 0.000 0.452 10 S N 0.895 116.677 115.700 0.137 0.000 2.382 10 S HA -0.138 4.331 4.470 -0.001 0.000 0.228 10 S C 1.332 175.991 174.600 0.099 0.000 1.027 10 S CA 1.132 59.422 58.200 0.149 0.000 0.991 10 S CB -0.188 63.074 63.200 0.102 0.000 0.823 10 S HN 0.300 nan 8.310 nan 0.000 0.469 11 D N 1.242 121.669 120.400 0.044 0.000 2.264 11 D HA 0.023 4.662 4.640 -0.001 0.000 0.208 11 D C 1.652 177.935 176.300 -0.029 0.000 0.966 11 D CA 0.585 54.593 54.000 0.012 0.000 0.864 11 D CB -0.189 40.612 40.800 0.001 0.000 0.933 11 D HN 0.392 nan 8.370 nan 0.000 0.499 12 I N -0.482 120.031 120.570 -0.095 0.000 2.333 12 I HA -0.240 3.930 4.170 -0.001 0.000 0.246 12 I C 1.666 177.619 176.117 -0.273 0.000 1.106 12 I CA 0.873 62.021 61.300 -0.253 0.000 1.411 12 I CB -0.088 37.623 38.000 -0.482 0.000 1.082 12 I HN -0.014 nan 8.210 nan 0.000 0.420 13 Y N 0.543 120.853 120.300 0.018 0.000 2.448 13 Y HA 0.219 4.769 4.550 -0.001 0.000 0.289 13 Y C 1.001 176.913 175.900 0.020 0.000 1.114 13 Y CA 0.044 58.155 58.100 0.018 0.000 1.235 13 Y CB -0.173 38.299 38.460 0.019 0.000 1.045 13 Y HN -0.047 nan 8.280 nan 0.000 0.554 14 L N 0.170 121.486 121.223 0.154 0.000 2.357 14 L HA 0.531 4.871 4.340 -0.001 0.000 0.273 14 L C 0.533 177.441 176.870 0.064 0.000 1.080 14 L CA -1.149 53.752 54.840 0.101 0.000 0.803 14 L CB 0.802 42.913 42.059 0.088 0.000 1.174 14 L HN -0.010 nan 8.230 nan 0.000 0.443 15 A N 1.671 124.525 122.820 0.058 0.000 2.425 15 A HA 0.284 4.604 4.320 -0.001 0.000 0.242 15 A C 0.265 177.870 177.584 0.036 0.000 1.077 15 A CA -0.205 51.859 52.037 0.044 0.000 0.781 15 A CB -0.059 18.968 19.000 0.046 0.000 1.020 15 A HN 0.702 nan 8.150 nan 0.000 0.494 16 T N 1.879 116.449 114.554 0.027 0.000 2.853 16 T HA 0.381 4.730 4.350 -0.001 0.000 0.298 16 T C 0.307 175.022 174.700 0.024 0.000 0.978 16 T CA 0.852 62.964 62.100 0.021 0.000 1.152 16 T CB 0.339 69.215 68.868 0.014 0.000 0.914 16 T HN 0.827 nan 8.240 nan 0.000 0.539 17 S N 2.927 118.639 115.700 0.019 0.000 2.387 17 S HA 0.483 4.953 4.470 -0.001 0.000 0.211 17 S C -0.404 174.200 174.600 0.007 0.000 1.055 17 S CA -0.787 57.425 58.200 0.020 0.000 1.133 17 S CB 0.160 63.379 63.200 0.031 0.000 1.235 17 S HN 0.927 nan 8.310 nan 0.000 0.425 18 T N 1.241 115.793 114.554 -0.003 0.000 2.896 18 T HA 0.672 5.021 4.350 -0.001 0.000 0.297 18 T C -0.167 174.517 174.700 -0.028 0.000 1.108 18 T CA -1.015 61.072 62.100 -0.021 0.000 1.004 18 T CB 1.339 70.188 68.868 -0.032 0.000 1.159 18 T HN 0.544 nan 8.240 nan 0.000 0.499 19 R N 0.176 120.649 120.500 -0.045 0.000 2.580 19 R HA 0.578 4.918 4.340 -0.001 0.000 0.267 19 R C -0.914 175.353 176.300 -0.056 0.000 1.125 19 R CA -0.677 55.394 56.100 -0.049 0.000 1.188 19 R CB 0.345 30.608 30.300 -0.061 0.000 1.155 19 R HN 0.783 nan 8.270 nan 0.000 0.586 20 D N 1.208 121.578 120.400 -0.050 0.000 2.402 20 D HA 0.252 4.892 4.640 -0.001 0.000 0.252 20 D C -2.190 174.079 176.300 -0.051 0.000 1.294 20 D CA -1.528 52.442 54.000 -0.050 0.000 0.948 20 D CB 0.918 41.699 40.800 -0.032 0.000 1.202 20 D HN 0.219 nan 8.370 nan 0.000 0.561 21 P HA 0.198 nan 4.420 nan 0.000 0.272 21 P C -0.530 176.694 177.300 -0.127 0.000 1.240 21 P CA -0.409 62.632 63.100 -0.099 0.000 0.791 21 P CB 0.769 32.398 31.700 -0.118 0.000 0.978 22 E N 1.411 121.521 120.200 -0.151 0.000 2.331 22 E HA 0.316 4.666 4.350 -0.001 0.000 0.272 22 E C -0.234 176.200 176.600 -0.277 0.000 1.036 22 E CA -0.820 55.479 56.400 -0.169 0.000 0.864 22 E CB 0.549 30.167 29.700 -0.136 0.000 1.035 22 E HN 0.296 nan 8.360 nan 0.000 0.408 23 L N 1.839 122.907 121.223 -0.257 0.000 2.475 23 L HA 0.231 4.571 4.340 -0.001 0.000 0.253 23 L C 0.300 176.899 176.870 -0.451 0.000 1.198 23 L CA -0.815 53.809 54.840 -0.361 0.000 0.814 23 L CB 0.076 42.010 42.059 -0.208 0.000 1.134 23 L HN 0.573 nan 8.230 nan 0.000 0.478 24 F N 1.315 120.954 119.950 -0.519 0.000 2.529 24 F HA 0.156 4.682 4.527 -0.001 0.000 0.365 24 F C -1.359 174.133 175.800 -0.513 0.000 1.102 24 F CA -1.704 55.891 58.000 -0.674 0.000 1.271 24 F CB -0.486 37.668 39.000 -1.410 0.000 1.120 24 F HN 0.248 nan 8.300 nan 0.000 0.579 25 P HA 0.198 nan 4.420 nan 0.000 0.271 25 P C -1.171 176.157 177.300 0.046 0.000 1.218 25 P CA -0.230 62.862 63.100 -0.013 0.000 0.780 25 P CB 1.520 33.236 31.700 0.025 0.000 0.901 26 L N 3.345 124.593 121.223 0.042 0.000 2.439 26 L HA 0.287 4.627 4.340 -0.001 0.000 0.270 26 L C -0.841 176.046 176.870 0.030 0.000 0.972 26 L CA -0.656 54.209 54.840 0.042 0.000 0.836 26 L CB 2.165 44.209 42.059 -0.026 0.000 1.255 26 L HN 0.067 nan 8.230 nan 0.000 0.404 27 V N 6.480 126.424 119.914 0.050 0.000 2.259 27 V HA 0.356 4.476 4.120 -0.001 0.000 0.267 27 V C 0.115 176.244 176.094 0.057 0.000 1.051 27 V CA -0.487 61.847 62.300 0.058 0.000 0.830 27 V CB 0.528 32.394 31.823 0.072 0.000 1.080 27 V HN 0.514 nan 8.190 nan 0.000 0.467 28 I N 3.093 123.686 120.570 0.039 0.000 2.529 28 I HA 0.185 4.355 4.170 -0.001 0.000 0.284 28 I C 1.155 177.326 176.117 0.091 0.000 1.082 28 I CA 0.407 61.729 61.300 0.037 0.000 1.406 28 I CB 0.866 38.866 38.000 0.000 0.000 1.405 28 I HN 0.554 nan 8.210 nan 0.000 0.548 29 D N 3.383 123.857 120.400 0.122 0.000 2.566 29 D HA 0.026 4.666 4.640 -0.001 0.000 0.253 29 D C 0.165 176.635 176.300 0.283 0.000 0.992 29 D CA 0.955 55.076 54.000 0.201 0.000 0.940 29 D CB 0.446 41.409 40.800 0.272 0.000 1.095 29 D HN 0.665 nan 8.370 nan 0.000 0.480 30 H N -2.544 116.624 119.070 0.163 0.000 2.948 30 H HA 0.625 5.181 4.556 -0.001 0.000 0.315 30 H C -0.802 174.692 175.328 0.277 0.000 1.360 30 H CA -0.777 55.385 56.048 0.191 0.000 1.125 30 H CB 0.859 30.706 29.762 0.143 0.000 1.844 30 H HN 0.125 nan 8.280 nan 0.000 0.529 31 G N -0.642 108.342 108.800 0.307 0.000 2.672 31 G HA2 0.480 4.440 3.960 -0.001 0.000 0.292 31 G HA3 0.480 4.440 3.960 -0.001 0.000 0.292 31 G C -1.654 173.512 174.900 0.444 0.000 1.375 31 G CA -0.790 44.489 45.100 0.300 0.000 0.890 31 G HN 0.738 nan 8.290 nan 0.000 0.476 32 E N 0.114 120.589 120.200 0.457 0.000 2.349 32 E HA 0.472 4.821 4.350 -0.001 0.000 0.290 32 E C 0.622 177.473 176.600 0.418 0.000 0.901 32 E CA 0.247 56.898 56.400 0.417 0.000 0.800 32 E CB 0.973 30.918 29.700 0.408 0.000 1.303 32 E HN 1.658 nan 8.360 nan 0.000 0.397 33 G N 2.391 111.390 108.800 0.332 0.000 2.565 33 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.295 33 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.295 33 G C 0.767 175.855 174.900 0.313 0.000 1.165 33 G CA 0.657 45.929 45.100 0.286 0.000 0.977 33 G HN 1.209 nan 8.290 nan 0.000 0.546 34 V N -3.008 117.002 119.914 0.160 0.000 3.542 34 V HA 0.589 4.708 4.120 -0.001 0.000 0.296 34 V C 0.441 176.318 176.094 -0.362 0.000 1.364 34 V CA 0.307 62.584 62.300 -0.039 0.000 1.118 34 V CB -0.653 31.052 31.823 -0.197 0.000 0.972 34 V HN 0.546 nan 8.190 nan 0.000 0.430 35 W N 0.016 121.305 121.300 -0.018 0.000 2.551 35 W HA 0.793 5.452 4.660 -0.001 0.000 0.330 35 W C -0.387 175.843 176.519 -0.482 0.000 1.063 35 W CA -0.952 56.232 57.345 -0.268 0.000 1.222 35 W CB 1.452 30.756 29.460 -0.260 0.000 1.349 35 W HN -0.135 nan 8.180 nan 0.000 0.536 36 I N 2.696 122.989 120.570 -0.461 0.000 2.569 36 I HA 0.368 4.537 4.170 -0.001 0.000 0.296 36 I C -1.079 174.662 176.117 -0.626 0.000 1.028 36 I CA -2.076 58.903 61.300 -0.535 0.000 1.082 36 I CB 1.412 39.059 38.000 -0.589 0.000 1.264 36 I HN 0.384 nan 8.210 nan 0.000 0.429 37 Y N 2.839 123.013 120.300 -0.209 0.000 2.361 37 Y HA 0.327 4.876 4.550 -0.001 0.000 0.337 37 Y C 0.177 176.032 175.900 -0.075 0.000 0.965 37 Y CA -1.179 56.821 58.100 -0.167 0.000 1.091 37 Y CB 1.341 39.547 38.460 -0.423 0.000 1.182 37 Y HN 0.557 nan 8.280 nan 0.000 0.450 38 D N 0.085 120.592 120.400 0.179 0.000 2.423 38 D HA 0.143 4.783 4.640 -0.001 0.000 0.255 38 D C 1.157 177.545 176.300 0.147 0.000 1.174 38 D CA -0.602 53.487 54.000 0.148 0.000 1.008 38 D CB 0.717 41.627 40.800 0.185 0.000 1.101 38 D HN 0.338 nan 8.370 nan 0.000 0.516 39 V N -2.818 117.170 119.914 0.122 0.000 2.867 39 V HA -0.105 4.014 4.120 -0.001 0.000 0.260 39 V C 0.558 176.709 176.094 0.094 0.000 1.099 39 V CA 1.513 63.879 62.300 0.110 0.000 1.122 39 V CB -0.676 31.201 31.823 0.090 0.000 0.708 39 V HN 0.424 nan 8.190 nan 0.000 0.490 40 D N 0.637 121.094 120.400 0.094 0.000 2.342 40 D HA 0.303 4.943 4.640 -0.001 0.000 0.221 40 D C 1.789 178.127 176.300 0.063 0.000 1.101 40 D CA 0.907 54.949 54.000 0.070 0.000 0.837 40 D CB 0.657 41.495 40.800 0.062 0.000 0.938 40 D HN 0.706 nan 8.370 nan 0.000 0.508 41 G N 1.272 110.126 108.800 0.091 0.000 2.179 41 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.260 41 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.260 41 G C 0.282 175.231 174.900 0.081 0.000 0.977 41 G CA -0.414 44.740 45.100 0.090 0.000 0.641 41 G HN 0.232 nan 8.290 nan 0.000 0.533 42 N N 0.752 119.482 118.700 0.049 0.000 2.513 42 N HA 0.313 5.053 4.740 -0.001 0.000 0.268 42 N C 0.103 175.523 175.510 -0.150 0.000 1.180 42 N CA 0.278 53.272 53.050 -0.094 0.000 0.948 42 N CB 1.320 39.729 38.487 -0.129 0.000 1.083 42 N HN 0.529 nan 8.380 nan 0.000 0.455 43 K N 2.216 122.420 120.400 -0.326 0.000 2.159 43 K HA 0.304 4.624 4.320 -0.001 0.000 0.266 43 K C -1.389 174.848 176.600 -0.605 0.000 0.975 43 K CA -0.432 55.612 56.287 -0.404 0.000 0.865 43 K CB 0.628 32.977 32.500 -0.253 0.000 1.087 43 K HN 0.401 nan 8.250 nan 0.000 0.446 44 Y N 2.774 122.912 120.300 -0.270 0.000 2.442 44 Y HA 0.292 4.842 4.550 -0.001 0.000 0.344 44 Y C -0.662 175.118 175.900 -0.199 0.000 0.976 44 Y CA -1.127 56.831 58.100 -0.236 0.000 1.040 44 Y CB 1.675 39.927 38.460 -0.347 0.000 1.228 44 Y HN 0.434 nan 8.280 nan 0.000 0.451 45 L N 3.766 124.902 121.223 -0.145 0.000 2.265 45 L HA 0.384 4.723 4.340 -0.001 0.000 0.288 45 L C -0.534 176.150 176.870 -0.310 0.000 1.058 45 L CA -0.261 54.251 54.840 -0.546 0.000 0.809 45 L CB 0.580 42.233 42.059 -0.676 0.000 1.179 45 L HN 0.638 nan 8.230 nan 0.000 0.429 46 D N 3.745 123.997 120.400 -0.246 0.000 2.316 46 D HA 0.179 4.819 4.640 -0.001 0.000 0.245 46 D C -0.312 176.173 176.300 0.307 0.000 1.171 46 D CA 0.135 54.130 54.000 -0.009 0.000 0.856 46 D CB 0.415 41.205 40.800 -0.017 0.000 1.090 46 D HN 0.411 nan 8.370 nan 0.000 0.476 47 F N 2.177 122.117 119.950 -0.016 0.000 2.735 47 F HA 0.159 4.686 4.527 -0.001 0.000 0.304 47 F C 1.794 177.610 175.800 0.026 0.000 1.119 47 F CA -0.123 57.886 58.000 0.014 0.000 1.280 47 F CB 0.258 39.274 39.000 0.028 0.000 0.994 47 F HN 0.513 nan 8.300 nan 0.000 0.520 48 T N -5.551 109.133 114.554 0.216 0.000 2.978 48 T HA 0.079 4.428 4.350 -0.001 0.000 0.248 48 T C 1.351 176.146 174.700 0.158 0.000 1.018 48 T CA 0.823 63.017 62.100 0.157 0.000 1.026 48 T CB -0.010 68.960 68.868 0.170 0.000 1.032 48 T HN -0.090 nan 8.240 nan 0.000 0.485 49 S N 0.652 116.498 115.700 0.243 0.000 3.402 49 S HA -0.126 4.343 4.470 -0.001 0.000 0.329 49 S C 1.354 176.001 174.600 0.078 0.000 1.194 49 S CA 1.162 59.454 58.200 0.153 0.000 0.951 49 S CB -2.090 61.130 63.200 0.034 0.000 0.975 49 S HN 1.966 nan 8.310 nan 0.000 0.574 50 G N 0.584 109.521 108.800 0.229 0.000 2.283 50 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.280 50 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.280 50 G C 0.472 175.410 174.900 0.064 0.000 1.029 50 G CA 0.256 45.443 45.100 0.145 0.000 0.840 50 G HN 1.498 nan 8.290 nan 0.000 0.505 51 I N -2.976 117.639 120.570 0.076 0.000 6.133 51 I HA -0.289 3.880 4.170 -0.001 0.000 0.126 51 I C 1.837 177.983 176.117 0.048 0.000 1.819 51 I CA 1.191 62.532 61.300 0.068 0.000 2.061 51 I CB -1.446 36.588 38.000 0.057 0.000 3.437 51 I HN 1.800 nan 8.210 nan 0.000 0.177 52 G N -1.197 107.612 108.800 0.015 0.000 2.612 52 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.200 52 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.200 52 G C 0.448 175.311 174.900 -0.062 0.000 1.053 52 G CA -0.036 45.057 45.100 -0.012 0.000 0.707 52 G HN 0.195 nan 8.290 nan 0.000 0.497 53 V N 1.461 121.332 119.914 -0.073 0.000 2.317 53 V HA -0.146 3.974 4.120 -0.001 0.000 0.251 53 V C 1.668 177.622 176.094 -0.233 0.000 1.065 53 V CA 2.650 64.876 62.300 -0.124 0.000 1.049 53 V CB -0.440 31.315 31.823 -0.113 0.000 0.651 53 V HN 0.534 nan 8.190 nan 0.000 0.450 54 N N -0.100 118.392 118.700 -0.347 0.000 2.546 54 N HA 0.181 4.921 4.740 -0.001 0.000 0.286 54 N C 0.868 176.199 175.510 -0.298 0.000 1.259 54 N CA -0.063 52.669 53.050 -0.530 0.000 0.939 54 N CB -0.241 37.452 38.487 -1.323 0.000 1.243 54 N HN 0.441 nan 8.380 nan 0.000 0.511 55 N N 0.120 118.724 118.700 -0.161 0.000 2.205 55 N HA -0.077 4.663 4.740 -0.001 0.000 0.186 55 N C 0.473 175.951 175.510 -0.055 0.000 1.015 55 N CA 0.828 53.829 53.050 -0.083 0.000 0.862 55 N CB 0.132 38.581 38.487 -0.063 0.000 0.986 55 N HN 0.343 nan 8.380 nan 0.000 0.429 56 L N 0.549 121.732 121.223 -0.066 0.000 2.728 56 L HA 0.297 4.637 4.340 -0.001 0.000 0.235 56 L C 0.775 177.655 176.870 0.017 0.000 1.197 56 L CA -0.479 54.369 54.840 0.013 0.000 0.992 56 L CB -0.365 41.721 42.059 0.045 0.000 1.263 56 L HN 0.123 nan 8.230 nan 0.000 0.484 57 G N -0.708 108.056 108.800 -0.060 0.000 2.592 57 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.684 57 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.684 57 G C -1.621 173.201 174.900 -0.131 0.000 1.291 57 G CA -0.925 44.182 45.100 0.012 0.000 0.891 57 G HN 0.091 nan 8.290 nan 0.000 0.544 58 W N 0.195 121.540 121.300 0.075 0.000 2.632 58 W HA 0.611 5.270 4.660 -0.001 0.000 0.328 58 W C -1.229 175.360 176.519 0.116 0.000 1.044 58 W CA -1.639 55.761 57.345 0.092 0.000 1.225 58 W CB 1.954 31.471 29.460 0.094 0.000 1.396 58 W HN 0.446 nan 8.180 nan 0.000 0.499 59 P HA -0.021 nan 4.420 nan 0.000 0.233 59 P C 0.258 177.583 177.300 0.042 0.000 1.167 59 P CA 1.055 64.297 63.100 0.236 0.000 0.770 59 P CB 1.232 33.056 31.700 0.206 0.000 0.837 60 S N -2.269 113.465 115.700 0.057 0.000 2.660 60 S HA 0.152 4.621 4.470 -0.001 0.000 0.264 60 S C -1.583 173.064 174.600 0.080 0.000 1.131 60 S CA -0.727 57.483 58.200 0.017 0.000 0.846 60 S CB 0.053 63.264 63.200 0.017 0.000 1.151 60 S HN 0.084 nan 8.310 nan 0.000 0.486 61 H N 1.779 120.845 119.070 -0.007 0.000 2.652 61 H HA 0.324 4.879 4.556 -0.001 0.000 0.349 61 H C -1.970 173.369 175.328 0.019 0.000 1.099 61 H CA -0.953 55.101 56.048 0.010 0.000 1.417 61 H CB 1.442 31.199 29.762 -0.009 0.000 1.457 61 H HN 0.267 nan 8.280 nan 0.000 0.568 62 P HA -0.173 nan 4.420 nan 0.000 0.216 62 P C 0.949 178.362 177.300 0.189 0.000 1.154 62 P CA 1.723 64.862 63.100 0.065 0.000 0.865 62 P CB 0.291 31.962 31.700 -0.048 0.000 0.789 63 E N -0.964 119.481 120.200 0.409 0.000 2.150 63 E HA -0.093 4.257 4.350 -0.001 0.000 0.193 63 E C 1.862 178.517 176.600 0.092 0.000 0.985 63 E CA 0.814 57.329 56.400 0.193 0.000 0.814 63 E CB -0.381 29.379 29.700 0.100 0.000 0.752 63 E HN 0.095 nan 8.360 nan 0.000 0.466 64 V N 1.449 121.429 119.914 0.111 0.000 2.453 64 V HA -0.200 3.920 4.120 -0.001 0.000 0.247 64 V C 2.161 178.278 176.094 0.038 0.000 1.048 64 V CA 0.959 63.279 62.300 0.035 0.000 1.049 64 V CB -0.249 31.590 31.823 0.026 0.000 0.672 64 V HN 0.285 nan 8.190 nan 0.000 0.457 65 I N 0.424 121.034 120.570 0.065 0.000 2.226 65 I HA -0.235 3.935 4.170 -0.001 0.000 0.245 65 I C 2.432 178.570 176.117 0.036 0.000 1.100 65 I CA 1.740 63.068 61.300 0.048 0.000 1.374 65 I CB -1.055 36.980 38.000 0.058 0.000 1.057 65 I HN 0.381 nan 8.210 nan 0.000 0.413 66 K N 1.055 121.480 120.400 0.042 0.000 2.032 66 K HA -0.187 4.132 4.320 -0.001 0.000 0.209 66 K C 2.127 178.737 176.600 0.017 0.000 1.048 66 K CA 1.371 57.676 56.287 0.030 0.000 0.927 66 K CB 0.051 32.573 32.500 0.036 0.000 0.712 66 K HN 0.079 nan 8.250 nan 0.000 0.441 67 I N 1.102 121.679 120.570 0.011 0.000 2.163 67 I HA -0.185 3.984 4.170 -0.001 0.000 0.243 67 I C 2.507 178.619 176.117 -0.009 0.000 1.085 67 I CA 1.785 63.082 61.300 -0.004 0.000 1.347 67 I CB -1.687 36.303 38.000 -0.017 0.000 1.044 67 I HN 0.425 nan 8.210 nan 0.000 0.408 68 G N 1.146 109.942 108.800 -0.007 0.000 2.446 68 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 68 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 68 G C 1.820 176.719 174.900 -0.002 0.000 1.168 68 G CA 0.587 45.681 45.100 -0.010 0.000 0.771 68 G HN 0.345 nan 8.290 nan 0.000 0.551 69 I N 0.462 121.036 120.570 0.007 0.000 2.226 69 I HA -0.156 4.014 4.170 -0.001 0.000 0.245 69 I C 2.675 178.796 176.117 0.006 0.000 1.100 69 I CA 1.556 62.862 61.300 0.010 0.000 1.374 69 I CB -0.194 37.814 38.000 0.014 0.000 1.057 69 I HN 0.346 nan 8.210 nan 0.000 0.413 70 E N 0.702 120.905 120.200 0.004 0.000 2.028 70 E HA -0.309 4.040 4.350 -0.001 0.000 0.191 70 E C 2.198 178.798 176.600 -0.001 0.000 0.988 70 E CA 1.309 57.711 56.400 0.003 0.000 0.799 70 E CB -0.006 29.695 29.700 0.002 0.000 0.755 70 E HN 0.273 nan 8.360 nan 0.000 0.447 71 Q N 0.691 120.487 119.800 -0.007 0.000 2.124 71 Q HA -0.159 4.180 4.340 -0.001 0.000 0.202 71 Q C 2.126 178.122 176.000 -0.007 0.000 0.977 71 Q CA 1.916 57.712 55.803 -0.012 0.000 0.850 71 Q CB -0.354 28.368 28.738 -0.027 0.000 0.901 71 Q HN 0.422 nan 8.270 nan 0.000 0.429 72 M N -0.379 119.218 119.600 -0.004 0.000 2.202 72 M HA -0.250 4.229 4.480 -0.001 0.000 0.262 72 M C 1.227 177.531 176.300 0.007 0.000 1.063 72 M CA 1.753 57.055 55.300 0.002 0.000 1.097 72 M CB 0.054 32.657 32.600 0.006 0.000 1.382 72 M HN 0.261 nan 8.290 nan 0.000 0.413 73 Q N -0.501 119.303 119.800 0.007 0.000 2.444 73 Q HA -0.029 4.311 4.340 -0.001 0.000 0.206 73 Q C 1.326 177.332 176.000 0.011 0.000 0.948 73 Q CA 0.522 56.331 55.803 0.009 0.000 0.946 73 Q CB 0.341 29.084 28.738 0.009 0.000 1.027 73 Q HN 0.586 nan 8.270 nan 0.000 0.513 74 K N -0.310 120.096 120.400 0.010 0.000 2.274 74 K HA 0.196 4.515 4.320 -0.001 0.000 0.219 74 K C -0.133 176.478 176.600 0.019 0.000 1.058 74 K CA 0.237 56.532 56.287 0.013 0.000 0.920 74 K CB 0.605 33.110 32.500 0.008 0.000 1.124 74 K HN -0.095 nan 8.250 nan 0.000 0.464 75 L N 0.334 121.567 121.223 0.016 0.000 2.528 75 L HA 0.414 4.754 4.340 -0.001 0.000 0.267 75 L C -0.718 176.157 176.870 0.010 0.000 0.961 75 L CA -0.292 54.562 54.840 0.024 0.000 0.866 75 L CB 1.427 43.509 42.059 0.039 0.000 1.248 75 L HN 0.232 nan 8.230 nan 0.000 0.404 76 A N 3.631 126.457 122.820 0.011 0.000 3.364 76 A HA 0.356 4.676 4.320 -0.001 0.000 0.157 76 A C -0.368 177.248 177.584 0.053 0.000 1.964 76 A CA 0.198 52.247 52.037 0.019 0.000 1.162 76 A CB -0.137 18.875 19.000 0.020 0.000 1.836 76 A HN 0.832 nan 8.150 nan 0.000 0.802 77 H N -1.074 117.947 119.070 -0.081 0.000 2.860 77 H HA 0.515 5.071 4.556 -0.001 0.000 0.312 77 H C 0.025 175.283 175.328 -0.116 0.000 0.995 77 H CA -0.107 55.878 56.048 -0.106 0.000 1.311 77 H CB 1.259 30.968 29.762 -0.090 0.000 1.478 77 H HN 0.543 nan 8.280 nan 0.000 0.508 78 A N 3.750 126.449 122.820 -0.202 0.000 2.275 78 A HA 0.389 4.708 4.320 -0.001 0.000 0.212 78 A C 1.649 179.003 177.584 -0.383 0.000 1.201 78 A CA 0.519 52.378 52.037 -0.297 0.000 0.843 78 A CB -0.255 18.549 19.000 -0.326 0.000 0.873 78 A HN 1.050 nan 8.150 nan 0.000 0.492 79 A N -2.387 120.055 122.820 -0.630 0.000 2.816 79 A HA 0.046 4.365 4.320 -0.001 0.000 0.270 79 A C 0.777 178.232 177.584 -0.214 0.000 1.413 79 A CA 1.361 53.108 52.037 -0.484 0.000 0.866 79 A CB -2.080 16.673 19.000 -0.411 0.000 1.032 79 A HN 2.152 nan 8.150 nan 0.000 0.642 80 A N -1.057 121.643 122.820 -0.199 0.000 2.384 80 A HA 0.771 5.091 4.320 -0.001 0.000 0.312 80 A C 0.539 178.040 177.584 -0.139 0.000 1.113 80 A CA -0.096 51.843 52.037 -0.163 0.000 0.779 80 A CB 0.700 19.569 19.000 -0.219 0.000 1.307 80 A HN 0.457 nan 8.150 nan 0.000 0.436 81 N N 0.153 118.795 118.700 -0.096 0.000 2.177 81 N HA 0.024 4.763 4.740 -0.001 0.000 0.218 81 N C -0.079 175.375 175.510 -0.093 0.000 1.182 81 N CA 0.038 53.044 53.050 -0.073 0.000 0.882 81 N CB 0.594 39.067 38.487 -0.023 0.000 1.052 81 N HN 0.664 nan 8.380 nan 0.000 0.519 82 D N 0.666 121.032 120.400 -0.057 0.000 2.097 82 D HA -0.102 4.537 4.640 -0.001 0.000 0.195 82 D C 0.118 176.464 176.300 0.078 0.000 0.989 82 D CA 0.906 54.926 54.000 0.033 0.000 0.827 82 D CB -0.080 40.826 40.800 0.177 0.000 0.966 82 D HN 0.098 nan 8.370 nan 0.000 0.456 83 F N 1.514 121.312 119.950 -0.254 0.000 2.494 83 F HA 0.116 4.643 4.527 -0.001 0.000 0.369 83 F C 0.468 176.187 175.800 -0.134 0.000 1.098 83 F CA -1.025 56.856 58.000 -0.199 0.000 1.154 83 F CB -0.972 37.898 39.000 -0.216 0.000 1.103 83 F HN -0.151 nan 8.300 nan 0.000 0.549 84 Y N 2.898 123.250 120.300 0.087 0.000 2.497 84 Y HA 0.194 4.744 4.550 -0.001 0.000 0.334 84 Y C 0.596 176.517 175.900 0.036 0.000 1.199 84 Y CA 0.259 58.390 58.100 0.053 0.000 1.425 84 Y CB 0.569 39.044 38.460 0.024 0.000 1.291 84 Y HN 0.679 nan 8.280 nan 0.000 0.562 85 N N -0.342 118.467 118.700 0.181 0.000 2.745 85 N HA 0.267 5.006 4.740 -0.001 0.000 0.256 85 N C -0.466 175.084 175.510 0.068 0.000 1.268 85 N CA -0.743 52.365 53.050 0.097 0.000 0.887 85 N CB 0.546 39.070 38.487 0.062 0.000 1.575 85 N HN 0.431 nan 8.380 nan 0.000 0.496 86 I N -0.373 120.221 120.570 0.041 0.000 2.163 86 I HA -0.108 4.062 4.170 -0.001 0.000 0.243 86 I C -0.878 175.244 176.117 0.008 0.000 1.085 86 I CA 1.192 62.508 61.300 0.026 0.000 1.347 86 I CB -1.103 36.905 38.000 0.014 0.000 1.044 86 I HN 0.519 nan 8.210 nan 0.000 0.408 87 P HA -0.235 nan 4.420 nan 0.000 0.215 87 P C 1.635 178.892 177.300 -0.071 0.000 1.157 87 P CA 1.505 64.576 63.100 -0.048 0.000 0.874 87 P CB -0.087 31.569 31.700 -0.072 0.000 0.790 88 Q N -0.637 119.114 119.800 -0.081 0.000 2.084 88 Q HA -0.202 4.138 4.340 -0.001 0.000 0.202 88 Q C 2.018 178.037 176.000 0.032 0.000 0.978 88 Q CA 1.347 57.082 55.803 -0.113 0.000 0.844 88 Q CB -0.721 27.967 28.738 -0.083 0.000 0.898 88 Q HN 0.081 nan 8.270 nan 0.000 0.426 89 L N 1.221 122.482 121.223 0.064 0.000 2.017 89 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 89 L C 2.042 178.952 176.870 0.065 0.000 1.073 89 L CA 1.922 56.815 54.840 0.090 0.000 0.745 89 L CB -0.551 41.556 42.059 0.081 0.000 0.894 89 L HN 0.179 nan 8.230 nan 0.000 0.432 90 E N -0.310 119.912 120.200 0.036 0.000 2.077 90 E HA -0.214 4.136 4.350 -0.001 0.000 0.193 90 E C 2.194 178.820 176.600 0.043 0.000 0.989 90 E CA 1.495 57.911 56.400 0.026 0.000 0.800 90 E CB -0.700 29.007 29.700 0.012 0.000 0.746 90 E HN 0.464 nan 8.360 nan 0.000 0.452 91 L N 0.878 122.132 121.223 0.051 0.000 2.056 91 L HA -0.026 4.313 4.340 -0.001 0.000 0.207 91 L C 2.160 179.151 176.870 0.202 0.000 1.078 91 L CA 1.984 56.885 54.840 0.102 0.000 0.749 91 L CB -0.852 41.231 42.059 0.040 0.000 0.901 91 L HN 0.038 nan 8.230 nan 0.000 0.433 92 A N -0.358 122.623 122.820 0.269 0.000 1.883 92 A HA -0.266 4.053 4.320 -0.001 0.000 0.217 92 A C 2.326 179.950 177.584 0.067 0.000 1.186 92 A CA 2.152 54.327 52.037 0.229 0.000 0.624 92 A CB -0.548 18.589 19.000 0.230 0.000 0.822 92 A HN 0.526 nan 8.150 nan 0.000 0.444 93 K N -0.150 120.271 120.400 0.034 0.000 2.057 93 K HA -0.149 4.170 4.320 -0.001 0.000 0.207 93 K C 2.102 178.632 176.600 -0.117 0.000 1.049 93 K CA 1.733 57.993 56.287 -0.045 0.000 0.931 93 K CB -0.177 32.296 32.500 -0.046 0.000 0.714 93 K HN 0.453 nan 8.250 nan 0.000 0.440 94 K N 0.783 121.142 120.400 -0.068 0.000 2.057 94 K HA -0.085 4.235 4.320 -0.001 0.000 0.207 94 K C 2.135 178.745 176.600 0.016 0.000 1.049 94 K CA 1.138 57.366 56.287 -0.099 0.000 0.931 94 K CB -0.158 32.419 32.500 0.128 0.000 0.714 94 K HN 0.087 nan 8.250 nan 0.000 0.440 95 L N 1.007 122.288 121.223 0.096 0.000 2.083 95 L HA -0.165 4.174 4.340 -0.001 0.000 0.209 95 L C 2.532 179.426 176.870 0.040 0.000 1.083 95 L CA 0.992 55.921 54.840 0.149 0.000 0.752 95 L CB -0.771 41.368 42.059 0.135 0.000 0.899 95 L HN 0.107 nan 8.230 nan 0.000 0.433 96 V N -4.599 115.281 119.914 -0.057 0.000 2.407 96 V HA -0.137 3.983 4.120 -0.001 0.000 0.245 96 V C 2.279 178.277 176.094 -0.160 0.000 1.041 96 V CA 1.863 64.090 62.300 -0.123 0.000 1.040 96 V CB -1.046 30.699 31.823 -0.129 0.000 0.671 96 V HN 0.304 nan 8.190 nan 0.000 0.455 97 T N 0.003 114.436 114.554 -0.202 0.000 2.812 97 T HA -0.051 4.298 4.350 -0.001 0.000 0.264 97 T C 1.716 176.302 174.700 -0.190 0.000 1.042 97 T CA 2.130 64.064 62.100 -0.276 0.000 1.140 97 T CB -0.430 68.163 68.868 -0.457 0.000 0.870 97 T HN 0.583 nan 8.240 nan 0.000 0.445 98 Y N 2.349 122.651 120.300 0.004 0.000 2.511 98 Y HA 0.281 4.830 4.550 -0.001 0.000 0.279 98 Y C 1.654 177.569 175.900 0.025 0.000 1.157 98 Y CA -1.106 57.027 58.100 0.055 0.000 1.300 98 Y CB -0.717 37.828 38.460 0.142 0.000 1.052 98 Y HN 0.143 nan 8.280 nan 0.000 0.529 99 S N 0.213 115.884 115.700 -0.048 0.000 2.603 99 S HA 0.334 4.803 4.470 -0.001 0.000 0.268 99 S C -2.664 171.673 174.600 -0.439 0.000 1.317 99 S CA -1.623 56.215 58.200 -0.603 0.000 1.012 99 S CB 1.106 63.932 63.200 -0.623 0.000 0.926 99 S HN -0.104 nan 8.310 nan 0.000 0.539 100 P HA 0.380 nan 4.420 nan 0.000 0.266 100 P C 0.409 177.478 177.300 -0.385 0.000 1.193 100 P CA 1.372 64.293 63.100 -0.298 0.000 0.770 100 P CB -0.080 31.492 31.700 -0.213 0.000 0.836 101 G N 2.263 110.840 108.800 -0.372 0.000 3.039 101 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.686 101 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.686 101 G C 0.063 174.487 174.900 -0.795 0.000 1.066 101 G CA -0.734 43.946 45.100 -0.701 0.000 0.774 101 G HN 0.501 nan 8.290 nan 0.000 0.591 102 N N 0.362 118.746 118.700 -0.528 0.000 2.268 102 N HA 0.202 4.942 4.740 -0.001 0.000 0.204 102 N C 0.797 176.161 175.510 -0.242 0.000 1.124 102 N CA 0.304 53.161 53.050 -0.322 0.000 0.838 102 N CB -0.057 38.349 38.487 -0.136 0.000 0.994 102 N HN 0.572 nan 8.380 nan 0.000 0.489 103 F N 0.252 120.176 119.950 -0.042 0.000 2.368 103 F HA 0.433 4.960 4.527 -0.001 0.000 0.315 103 F C 0.855 176.624 175.800 -0.052 0.000 1.145 103 F CA -1.328 56.649 58.000 -0.040 0.000 1.095 103 F CB 0.014 38.993 39.000 -0.035 0.000 1.286 103 F HN -0.243 nan 8.300 nan 0.000 0.530 104 Q N 1.386 121.333 119.800 0.245 0.000 2.337 104 Q HA 0.302 4.642 4.340 -0.001 0.000 0.270 104 Q C -0.858 175.243 176.000 0.168 0.000 1.002 104 Q CA 0.230 56.106 55.803 0.122 0.000 0.888 104 Q CB 0.842 29.625 28.738 0.075 0.000 1.222 104 Q HN 0.603 nan 8.270 nan 0.000 0.400 105 K N 1.764 122.178 120.400 0.024 0.000 2.480 105 K HA 0.544 4.863 4.320 -0.001 0.000 0.258 105 K C -0.976 175.501 176.600 -0.206 0.000 0.990 105 K CA -0.843 55.408 56.287 -0.061 0.000 0.857 105 K CB 2.111 34.565 32.500 -0.078 0.000 1.384 105 K HN 0.258 nan 8.250 nan 0.000 0.446 106 K N 0.432 120.548 120.400 -0.473 0.000 2.444 106 K HA 0.631 4.951 4.320 -0.001 0.000 0.252 106 K C -1.683 174.475 176.600 -0.736 0.000 0.993 106 K CA -0.988 54.978 56.287 -0.535 0.000 0.847 106 K CB 2.578 34.783 32.500 -0.492 0.000 1.340 106 K HN 0.233 nan 8.250 nan 0.000 0.446 107 V N 2.344 121.995 119.914 -0.437 0.000 2.709 107 V HA 0.579 4.699 4.120 -0.001 0.000 0.308 107 V C -1.916 174.041 176.094 -0.228 0.000 1.062 107 V CA -0.678 61.390 62.300 -0.387 0.000 0.901 107 V CB 1.426 32.962 31.823 -0.478 0.000 1.003 107 V HN 0.672 nan 8.190 nan 0.000 0.425 108 F N 7.302 127.135 119.950 -0.195 0.000 2.449 108 F HA 0.748 5.275 4.527 -0.001 0.000 0.342 108 F C -1.086 174.602 175.800 -0.188 0.000 1.127 108 F CA -1.087 56.878 58.000 -0.059 0.000 0.975 108 F CB 1.178 40.324 39.000 0.245 0.000 1.146 108 F HN 0.448 nan 8.300 nan 0.000 0.444 109 F N 3.833 123.448 119.950 -0.558 0.000 2.375 109 F HA 0.596 5.122 4.527 -0.001 0.000 0.333 109 F C 0.637 176.033 175.800 -0.673 0.000 1.104 109 F CA -0.032 57.708 58.000 -0.434 0.000 1.149 109 F CB 1.512 40.364 39.000 -0.248 0.000 1.190 109 F HN 0.573 nan 8.300 nan 0.000 0.533 110 S N 0.537 116.197 115.700 -0.065 0.000 2.903 110 S HA 0.458 4.927 4.470 -0.001 0.000 0.314 110 S C -0.325 174.317 174.600 0.070 0.000 1.177 110 S CA -0.889 57.288 58.200 -0.037 0.000 0.859 110 S CB 1.420 64.671 63.200 0.083 0.000 1.265 110 S HN 0.526 nan 8.310 nan 0.000 0.584 111 N N 0.341 119.084 118.700 0.071 0.000 2.236 111 N HA 0.350 5.090 4.740 -0.001 0.000 0.196 111 N C -0.321 175.245 175.510 0.092 0.000 1.114 111 N CA 0.371 53.470 53.050 0.083 0.000 0.859 111 N CB 0.669 39.176 38.487 0.032 0.000 0.982 111 N HN 0.759 nan 8.380 nan 0.000 0.493 112 S N -3.059 112.701 115.700 0.101 0.000 2.636 112 S HA 0.422 4.891 4.470 -0.001 0.000 0.266 112 S C 0.816 175.485 174.600 0.115 0.000 1.147 112 S CA -0.573 57.687 58.200 0.101 0.000 0.815 112 S CB 0.638 63.894 63.200 0.093 0.000 1.119 112 S HN -0.033 nan 8.310 nan 0.000 0.470 113 G N 0.352 109.221 108.800 0.116 0.000 2.408 113 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.217 113 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.217 113 G C 1.235 176.211 174.900 0.127 0.000 1.150 113 G CA 1.477 46.655 45.100 0.129 0.000 0.776 113 G HN 0.895 nan 8.290 nan 0.000 0.542 114 T N 0.073 114.693 114.554 0.109 0.000 2.821 114 T HA -0.050 4.299 4.350 -0.001 0.000 0.267 114 T C 2.192 176.949 174.700 0.096 0.000 1.046 114 T CA 1.727 63.875 62.100 0.080 0.000 1.139 114 T CB -0.187 68.715 68.868 0.057 0.000 0.871 114 T HN 0.470 nan 8.240 nan 0.000 0.454 115 E N 0.201 120.471 120.200 0.115 0.000 2.152 115 E HA 0.029 4.378 4.350 -0.001 0.000 0.192 115 E C 2.452 179.166 176.600 0.189 0.000 0.983 115 E CA 0.784 57.269 56.400 0.142 0.000 0.818 115 E CB -0.152 29.631 29.700 0.139 0.000 0.758 115 E HN 0.562 nan 8.360 nan 0.000 0.467 116 A N 1.285 124.215 122.820 0.183 0.000 1.930 116 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 116 A C 2.088 179.791 177.584 0.199 0.000 1.175 116 A CA 0.866 53.032 52.037 0.215 0.000 0.627 116 A CB -0.266 18.843 19.000 0.181 0.000 0.815 116 A HN 0.120 nan 8.150 nan 0.000 0.443 117 I N 0.103 120.772 120.570 0.165 0.000 2.353 117 I HA -0.135 4.035 4.170 -0.001 0.000 0.248 117 I C 2.287 178.484 176.117 0.133 0.000 1.119 117 I CA 1.125 62.523 61.300 0.165 0.000 1.417 117 I CB -1.205 36.870 38.000 0.124 0.000 1.078 117 I HN 0.394 nan 8.210 nan 0.000 0.421 118 E N 0.972 121.235 120.200 0.105 0.000 2.110 118 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 118 E C 2.263 178.921 176.600 0.096 0.000 0.988 118 E CA 1.414 57.863 56.400 0.081 0.000 0.804 118 E CB -0.047 29.706 29.700 0.088 0.000 0.745 118 E HN 0.447 nan 8.360 nan 0.000 0.458 119 A N 1.008 123.913 122.820 0.142 0.000 1.930 119 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 119 A C 2.450 180.089 177.584 0.091 0.000 1.175 119 A CA 1.455 53.560 52.037 0.113 0.000 0.627 119 A CB -0.315 18.824 19.000 0.232 0.000 0.815 119 A HN 0.139 nan 8.150 nan 0.000 0.443 120 S N -0.066 115.710 115.700 0.127 0.000 2.402 120 S HA -0.076 4.394 4.470 -0.001 0.000 0.229 120 S C 1.742 176.426 174.600 0.139 0.000 1.021 120 S CA 1.288 59.541 58.200 0.090 0.000 0.974 120 S CB -0.454 62.821 63.200 0.124 0.000 0.800 120 S HN 0.554 nan 8.310 nan 0.000 0.484 121 I N 1.468 122.144 120.570 0.177 0.000 2.179 121 I HA -0.222 3.948 4.170 -0.001 0.000 0.242 121 I C 2.340 178.471 176.117 0.023 0.000 1.088 121 I CA 1.228 62.599 61.300 0.117 0.000 1.357 121 I CB -0.269 37.724 38.000 -0.012 0.000 1.051 121 I HN 0.230 nan 8.210 nan 0.000 0.409 122 K N 0.321 120.723 120.400 0.004 0.000 2.057 122 K HA -0.127 4.192 4.320 -0.001 0.000 0.207 122 K C 2.073 178.561 176.600 -0.186 0.000 1.049 122 K CA 1.209 57.480 56.287 -0.026 0.000 0.931 122 K CB -0.258 32.300 32.500 0.095 0.000 0.714 122 K HN 0.145 nan 8.250 nan 0.000 0.440 123 V N 1.571 121.304 119.914 -0.302 0.000 2.295 123 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 123 V C 2.405 178.279 176.094 -0.366 0.000 1.049 123 V CA 2.034 63.986 62.300 -0.580 0.000 1.024 123 V CB -0.549 30.869 31.823 -0.675 0.000 0.648 123 V HN 0.261 nan 8.190 nan 0.000 0.447 124 V N -1.905 117.893 119.914 -0.193 0.000 2.626 124 V HA -0.128 3.991 4.120 -0.001 0.000 0.252 124 V C 2.055 178.090 176.094 -0.099 0.000 1.067 124 V CA 1.710 63.939 62.300 -0.119 0.000 1.081 124 V CB -0.857 30.963 31.823 -0.006 0.000 0.686 124 V HN 0.483 nan 8.190 nan 0.000 0.468 125 K N 0.407 120.749 120.400 -0.098 0.000 2.418 125 K HA 0.084 4.404 4.320 -0.001 0.000 0.195 125 K C 1.808 178.338 176.600 -0.116 0.000 1.035 125 K CA 0.423 56.656 56.287 -0.090 0.000 1.003 125 K CB -0.251 32.206 32.500 -0.071 0.000 0.793 125 K HN 0.443 nan 8.250 nan 0.000 0.494 126 N N 1.201 119.797 118.700 -0.173 0.000 2.520 126 N HA -0.105 4.635 4.740 -0.001 0.000 0.185 126 N C 1.435 176.858 175.510 -0.144 0.000 1.068 126 N CA 1.361 54.299 53.050 -0.186 0.000 0.911 126 N CB 0.196 38.490 38.487 -0.322 0.000 0.961 126 N HN 0.313 nan 8.380 nan 0.000 0.446 127 T N -3.604 110.872 114.554 -0.130 0.000 2.951 127 T HA 0.113 4.462 4.350 -0.001 0.000 0.268 127 T C 1.500 176.155 174.700 -0.075 0.000 1.073 127 T CA 1.377 63.417 62.100 -0.099 0.000 1.134 127 T CB 0.118 68.934 68.868 -0.086 0.000 0.884 127 T HN 0.237 nan 8.240 nan 0.000 0.479 128 G N 1.206 109.960 108.800 -0.076 0.000 2.231 128 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.206 128 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.206 128 G C 0.221 175.080 174.900 -0.068 0.000 0.996 128 G CA -0.331 44.729 45.100 -0.065 0.000 0.645 128 G HN 0.657 nan 8.290 nan 0.000 0.498 129 R N 0.401 120.863 120.500 -0.064 0.000 2.539 129 R HA 0.526 4.866 4.340 -0.001 0.000 0.275 129 R C 0.944 177.178 176.300 -0.109 0.000 1.077 129 R CA 0.271 56.335 56.100 -0.059 0.000 1.097 129 R CB 0.586 30.873 30.300 -0.022 0.000 1.018 129 R HN 0.242 nan 8.270 nan 0.000 0.483 130 K N 1.045 121.324 120.400 -0.201 0.000 2.367 130 K HA 0.108 4.428 4.320 -0.001 0.000 0.195 130 K C -0.293 176.023 176.600 -0.474 0.000 1.060 130 K CA 0.346 56.403 56.287 -0.384 0.000 1.022 130 K CB 0.522 32.678 32.500 -0.573 0.000 0.894 130 K HN 0.377 nan 8.250 nan 0.000 0.540 131 Y N 0.742 121.035 120.300 -0.013 0.000 2.419 131 Y HA 0.460 5.009 4.550 -0.001 0.000 0.328 131 Y C 0.187 176.088 175.900 0.002 0.000 1.162 131 Y CA -0.975 57.120 58.100 -0.008 0.000 1.174 131 Y CB 1.106 39.567 38.460 0.002 0.000 1.228 131 Y HN -0.201 nan 8.280 nan 0.000 0.473 132 I N 3.483 124.139 120.570 0.144 0.000 2.582 132 I HA 0.401 4.570 4.170 -0.001 0.000 0.292 132 I C -1.002 175.121 176.117 0.011 0.000 1.066 132 I CA -0.664 60.676 61.300 0.067 0.000 1.053 132 I CB 2.095 40.046 38.000 -0.082 0.000 1.241 132 I HN 0.420 nan 8.210 nan 0.000 0.421 133 I N 4.773 125.367 120.570 0.040 0.000 2.404 133 I HA 0.715 4.884 4.170 -0.001 0.000 0.293 133 I C 0.060 176.091 176.117 -0.143 0.000 0.992 133 I CA -0.209 61.044 61.300 -0.077 0.000 1.149 133 I CB 1.864 39.849 38.000 -0.024 0.000 1.315 133 I HN 0.670 nan 8.210 nan 0.000 0.446 134 A N 5.643 128.248 122.820 -0.358 0.000 2.524 134 A HA 0.865 5.184 4.320 -0.001 0.000 0.286 134 A C -1.527 175.870 177.584 -0.311 0.000 1.203 134 A CA -0.448 51.448 52.037 -0.234 0.000 0.736 134 A CB 1.181 20.026 19.000 -0.259 0.000 1.322 134 A HN 0.471 nan 8.150 nan 0.000 0.424 135 F N 0.072 120.222 119.950 0.334 0.000 2.480 135 F HA 0.521 5.048 4.527 -0.001 0.000 0.329 135 F C 0.249 176.228 175.800 0.299 0.000 1.091 135 F CA -0.450 57.754 58.000 0.340 0.000 0.972 135 F CB 1.586 40.853 39.000 0.445 0.000 1.150 135 F HN 0.369 nan 8.300 nan 0.000 0.467 136 L N 2.656 124.100 121.223 0.369 0.000 2.490 136 L HA 0.259 4.598 4.340 -0.001 0.000 0.274 136 L C 1.220 178.158 176.870 0.113 0.000 1.201 136 L CA 0.888 55.825 54.840 0.163 0.000 0.869 136 L CB -0.059 42.039 42.059 0.065 0.000 1.123 136 L HN 1.023 nan 8.230 nan 0.000 0.484 137 G N 1.993 110.811 108.800 0.029 0.000 2.217 137 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.246 137 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.246 137 G C 0.537 175.411 174.900 -0.044 0.000 0.990 137 G CA -0.210 44.875 45.100 -0.025 0.000 0.627 137 G HN 1.021 nan 8.290 nan 0.000 0.522 138 G N -0.425 108.387 108.800 0.019 0.000 2.539 138 G HA2 0.579 4.538 3.960 -0.001 0.000 0.258 138 G HA3 0.579 4.538 3.960 -0.001 0.000 0.258 138 G C -0.797 174.066 174.900 -0.063 0.000 1.202 138 G CA -0.066 45.014 45.100 -0.033 0.000 0.851 138 G HN 0.948 nan 8.290 nan 0.000 0.556 139 F N 0.607 120.299 119.950 -0.432 0.000 2.573 139 F HA 0.470 4.997 4.527 -0.001 0.000 0.316 139 F C 0.198 175.681 175.800 -0.529 0.000 1.148 139 F CA -0.875 56.923 58.000 -0.338 0.000 0.940 139 F CB 1.803 40.691 39.000 -0.188 0.000 1.214 139 F HN 0.520 nan 8.300 nan 0.000 0.448 140 H N 3.796 122.548 119.070 -0.531 0.000 3.230 140 H HA 0.469 5.025 4.556 -0.001 0.000 0.259 140 H C 0.522 175.618 175.328 -0.387 0.000 1.195 140 H CA 0.258 56.139 56.048 -0.279 0.000 1.112 140 H CB 0.963 30.643 29.762 -0.136 0.000 1.638 140 H HN 0.832 nan 8.280 nan 0.000 0.624 141 G N 0.626 108.957 108.800 -0.781 0.000 2.347 141 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.477 141 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.477 141 G C -0.150 174.503 174.900 -0.412 0.000 1.349 141 G CA -0.890 43.967 45.100 -0.404 0.000 1.000 141 G HN 0.154 nan 8.290 nan 0.000 0.605 142 R N -0.619 119.798 120.500 -0.137 0.000 2.404 142 R HA 0.213 4.553 4.340 -0.001 0.000 0.237 142 R C 1.480 177.762 176.300 -0.029 0.000 0.907 142 R CA 0.688 56.741 56.100 -0.077 0.000 1.063 142 R CB 0.525 30.854 30.300 0.048 0.000 1.134 142 R HN 0.809 nan 8.270 nan 0.000 0.529 143 T N -1.827 112.725 114.554 -0.003 0.000 2.802 143 T HA 0.008 4.357 4.350 -0.001 0.000 0.305 143 T C 0.933 175.674 174.700 0.068 0.000 1.053 143 T CA -0.521 61.618 62.100 0.066 0.000 1.058 143 T CB 0.624 69.539 68.868 0.078 0.000 0.988 143 T HN -0.013 nan 8.240 nan 0.000 0.539 144 F N 1.709 121.677 119.950 0.029 0.000 2.087 144 F HA -0.024 4.503 4.527 -0.000 0.000 0.299 144 F C 2.403 178.215 175.800 0.021 0.000 1.100 144 F CA 2.394 60.435 58.000 0.069 0.000 1.226 144 F CB -0.955 38.104 39.000 0.099 0.000 0.983 144 F HN 0.771 nan 8.300 nan 0.000 0.479 145 G N -1.338 107.508 108.800 0.076 0.000 2.414 145 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.215 145 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.215 145 G C 1.792 176.582 174.900 -0.183 0.000 1.188 145 G CA 0.861 45.931 45.100 -0.050 0.000 0.783 145 G HN 0.409 nan 8.290 nan 0.000 0.537 146 S N 0.285 115.898 115.700 -0.145 0.000 2.382 146 S HA -0.053 4.416 4.470 -0.001 0.000 0.228 146 S C 2.166 176.595 174.600 -0.284 0.000 1.027 146 S CA 0.816 58.903 58.200 -0.187 0.000 0.991 146 S CB -0.201 62.926 63.200 -0.122 0.000 0.823 146 S HN 0.365 nan 8.310 nan 0.000 0.469 147 I N 1.295 121.654 120.570 -0.351 0.000 2.676 147 I HA -0.129 4.041 4.170 -0.001 0.000 0.259 147 I C 1.675 177.418 176.117 -0.624 0.000 1.194 147 I CA 0.672 61.669 61.300 -0.506 0.000 1.473 147 I CB -0.053 37.616 38.000 -0.550 0.000 1.096 147 I HN 0.168 nan 8.210 nan 0.000 0.443 148 S N 0.653 116.026 115.700 -0.545 0.000 2.423 148 S HA -0.048 4.421 4.470 -0.001 0.000 0.231 148 S C 1.765 176.260 174.600 -0.176 0.000 1.014 148 S CA 0.978 58.939 58.200 -0.398 0.000 0.965 148 S CB -0.083 62.931 63.200 -0.310 0.000 0.785 148 S HN 0.437 nan 8.310 nan 0.000 0.495 149 L N 0.614 121.715 121.223 -0.203 0.000 2.307 149 L HA 0.079 4.418 4.340 -0.001 0.000 0.211 149 L C 0.737 177.737 176.870 0.216 0.000 1.099 149 L CA 0.428 55.215 54.840 -0.090 0.000 0.816 149 L CB -0.676 41.171 42.059 -0.353 0.000 0.952 149 L HN 0.136 nan 8.230 nan 0.000 0.455 150 T N 0.970 115.504 114.554 -0.034 0.000 2.919 150 T HA 0.400 4.749 4.350 -0.001 0.000 0.302 150 T C 0.325 174.937 174.700 -0.148 0.000 1.031 150 T CA 0.138 62.167 62.100 -0.117 0.000 1.127 150 T CB 1.360 69.991 68.868 -0.396 0.000 0.952 150 T HN 0.298 nan 8.240 nan 0.000 0.540 151 A N 1.929 124.680 122.820 -0.114 0.000 3.455 151 A HA 0.506 4.825 4.320 -0.001 0.000 0.225 151 A C 1.053 178.593 177.584 -0.074 0.000 1.052 151 A CA -0.410 51.498 52.037 -0.216 0.000 1.005 151 A CB 0.261 18.970 19.000 -0.485 0.000 1.318 151 A HN 0.685 nan 8.150 nan 0.000 0.639 152 S N 0.601 116.300 115.700 -0.002 0.000 2.357 152 S HA 0.265 4.735 4.470 -0.001 0.000 0.209 152 S C 0.724 175.329 174.600 0.009 0.000 1.023 152 S CA 0.829 59.053 58.200 0.040 0.000 0.933 152 S CB 0.018 63.310 63.200 0.153 0.000 0.897 152 S HN 0.533 nan 8.310 nan 0.000 0.529 153 K N 0.614 121.026 120.400 0.020 0.000 2.376 153 K HA 0.605 4.924 4.320 -0.001 0.000 0.257 153 K C 0.484 177.083 176.600 -0.002 0.000 0.939 153 K CA 0.044 56.334 56.287 0.005 0.000 0.809 153 K CB 1.711 34.218 32.500 0.013 0.000 1.121 153 K HN 0.275 nan 8.250 nan 0.000 0.425 154 A N 2.710 125.524 122.820 -0.010 0.000 1.948 154 A HA -0.151 4.168 4.320 -0.001 0.000 0.220 154 A C 1.944 179.540 177.584 0.020 0.000 1.177 154 A CA 1.920 53.955 52.037 -0.004 0.000 0.636 154 A CB -0.457 18.541 19.000 -0.003 0.000 0.815 154 A HN 0.537 nan 8.150 nan 0.000 0.449 155 V N 0.157 120.083 119.914 0.020 0.000 2.469 155 V HA -0.318 3.802 4.120 -0.001 0.000 0.251 155 V C 2.296 178.417 176.094 0.045 0.000 1.064 155 V CA 2.650 64.969 62.300 0.031 0.000 1.066 155 V CB -0.675 31.161 31.823 0.022 0.000 0.667 155 V HN 0.755 nan 8.190 nan 0.000 0.461 156 Q N -0.578 119.246 119.800 0.039 0.000 2.364 156 Q HA -0.081 4.259 4.340 -0.001 0.000 0.207 156 Q C 1.781 177.805 176.000 0.039 0.000 0.970 156 Q CA 1.007 56.838 55.803 0.046 0.000 0.888 156 Q CB -0.052 28.722 28.738 0.060 0.000 0.951 156 Q HN 0.579 nan 8.270 nan 0.000 0.469 157 R N 0.662 121.191 120.500 0.049 0.000 2.507 157 R HA 0.120 4.459 4.340 -0.001 0.000 0.298 157 R C 0.115 176.588 176.300 0.290 0.000 0.999 157 R CA -0.130 56.053 56.100 0.140 0.000 1.082 157 R CB 0.786 31.109 30.300 0.038 0.000 1.246 157 R HN 0.093 nan 8.270 nan 0.000 0.553 158 S N -0.133 115.667 115.700 0.166 0.000 2.632 158 S HA 0.211 4.680 4.470 -0.001 0.000 0.267 158 S C 1.342 176.011 174.600 0.115 0.000 1.276 158 S CA -0.670 57.603 58.200 0.121 0.000 0.998 158 S CB 1.104 64.348 63.200 0.072 0.000 0.953 158 S HN 0.107 nan 8.310 nan 0.000 0.547 159 I N -1.242 119.366 120.570 0.063 0.000 4.497 159 I HA -0.301 3.868 4.170 -0.001 0.000 0.059 159 I C 1.688 177.814 176.117 0.015 0.000 0.607 159 I CA 2.161 63.484 61.300 0.038 0.000 0.958 159 I CB -2.677 35.352 38.000 0.047 0.000 0.864 159 I HN 0.941 nan 8.210 nan 0.000 0.166 160 V N 0.143 120.086 119.914 0.049 0.000 3.630 160 V HA 0.563 4.682 4.120 -0.001 0.000 0.273 160 V C 1.342 177.312 176.094 -0.207 0.000 1.248 160 V CA 0.826 63.134 62.300 0.013 0.000 1.170 160 V CB -0.716 31.191 31.823 0.140 0.000 0.899 160 V HN 0.564 nan 8.190 nan 0.000 0.457 161 G N 1.644 110.180 108.800 -0.439 0.000 2.553 161 G HA2 0.507 4.466 3.960 -0.001 0.000 0.278 161 G HA3 0.507 4.466 3.960 -0.001 0.000 0.278 161 G C -1.795 172.858 174.900 -0.412 0.000 1.349 161 G CA -0.638 43.882 45.100 -0.967 0.000 1.037 161 G HN 0.498 nan 8.290 nan 0.000 0.508 162 P HA 0.350 nan 4.420 nan 0.000 0.273 162 P C -1.013 175.981 177.300 -0.509 0.000 1.250 162 P CA -0.154 62.723 63.100 -0.372 0.000 0.793 162 P CB 0.778 32.413 31.700 -0.108 0.000 1.011 163 F N -1.495 118.462 119.950 0.011 0.000 2.561 163 F HA 0.434 4.960 4.527 -0.001 0.000 0.384 163 F C 1.375 177.136 175.800 -0.065 0.000 1.131 163 F CA -1.335 56.550 58.000 -0.191 0.000 1.133 163 F CB 0.002 38.755 39.000 -0.412 0.000 1.506 163 F HN 0.153 nan 8.300 nan 0.000 0.499 164 M N 4.319 123.924 119.600 0.009 0.000 2.336 164 M HA 0.060 4.539 4.480 -0.001 0.000 0.371 164 M C -2.221 174.127 176.300 0.080 0.000 1.542 164 M CA -1.125 54.237 55.300 0.104 0.000 0.959 164 M CB 0.222 32.824 32.600 0.003 0.000 2.033 164 M HN 0.153 nan 8.290 nan 0.000 0.472 165 P HA 0.240 nan 4.420 nan 0.000 0.276 165 P C 0.306 177.641 177.300 0.059 0.000 1.252 165 P CA 0.442 63.588 63.100 0.077 0.000 0.802 165 P CB 0.887 32.628 31.700 0.068 0.000 1.035 166 G N -0.694 108.184 108.800 0.130 0.000 2.157 166 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.248 166 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.248 166 G C -0.176 174.843 174.900 0.199 0.000 0.979 166 G CA -0.013 45.225 45.100 0.230 0.000 0.650 166 G HN 0.539 nan 8.290 nan 0.000 0.529 167 V N 1.692 121.658 119.914 0.087 0.000 2.370 167 V HA 0.649 4.769 4.120 -0.001 0.000 0.279 167 V C 0.500 176.592 176.094 -0.004 0.000 1.029 167 V CA -0.538 61.754 62.300 -0.013 0.000 0.870 167 V CB 1.563 33.340 31.823 -0.077 0.000 0.984 167 V HN 0.305 nan 8.190 nan 0.000 0.451 168 I N 4.526 125.050 120.570 -0.076 0.000 2.406 168 I HA 0.459 4.629 4.170 -0.001 0.000 0.290 168 I C -0.611 175.396 176.117 -0.183 0.000 0.999 168 I CA -0.579 60.697 61.300 -0.039 0.000 1.124 168 I CB 1.573 39.575 38.000 0.003 0.000 1.289 168 I HN 0.606 nan 8.210 nan 0.000 0.441 169 H N 4.399 123.468 119.070 -0.002 0.000 2.458 169 H HA 0.624 5.180 4.556 -0.001 0.000 0.330 169 H C -0.431 174.879 175.328 -0.029 0.000 1.111 169 H CA -0.470 55.559 56.048 -0.031 0.000 1.245 169 H CB 1.774 31.531 29.762 -0.009 0.000 1.456 169 H HN 0.387 nan 8.280 nan 0.000 0.488 170 V N 0.958 120.866 119.914 -0.008 0.000 3.074 170 V HA 0.657 4.777 4.120 -0.001 0.000 0.314 170 V C -2.833 173.273 176.094 0.020 0.000 1.117 170 V CA -3.148 59.112 62.300 -0.068 0.000 1.014 170 V CB 2.198 34.003 31.823 -0.030 0.000 1.057 170 V HN 0.520 nan 8.190 nan 0.000 0.438 171 P HA 0.196 nan 4.420 nan 0.000 0.268 171 P C -1.403 176.114 177.300 0.362 0.000 1.205 171 P CA 0.384 63.504 63.100 0.034 0.000 0.771 171 P CB 0.021 31.597 31.700 -0.206 0.000 0.858 172 Y N 5.651 126.040 120.300 0.147 0.000 2.335 172 Y HA 0.344 4.893 4.550 -0.001 0.000 0.323 172 Y C -1.714 174.017 175.900 -0.281 0.000 1.224 172 Y CA -2.357 55.665 58.100 -0.131 0.000 1.241 172 Y CB 0.934 39.301 38.460 -0.155 0.000 1.235 172 Y HN 0.341 nan 8.280 nan 0.000 0.492 173 P HA -0.014 nan 4.420 nan 0.000 0.230 173 P C -0.988 176.028 177.300 -0.472 0.000 1.791 173 P CA 0.056 62.693 63.100 -0.772 0.000 1.020 173 P CB -0.323 30.573 31.700 -1.339 0.000 1.977 174 N N 3.855 122.475 118.700 -0.134 0.000 2.405 174 N HA 0.051 4.790 4.740 -0.001 0.000 0.260 174 N C -1.153 174.287 175.510 -0.116 0.000 1.152 174 N CA -2.018 51.020 53.050 -0.020 0.000 0.948 174 N CB 0.985 39.515 38.487 0.072 0.000 1.111 174 N HN 0.170 nan 8.380 nan 0.000 0.485 175 P HA -0.133 nan 4.420 nan 0.000 0.223 175 P C 0.757 177.887 177.300 -0.284 0.000 1.151 175 P CA 0.946 63.778 63.100 -0.447 0.000 0.787 175 P CB 0.176 31.294 31.700 -0.970 0.000 0.788 176 Y N 0.567 120.766 120.300 -0.169 0.000 2.343 176 Y HA 0.223 4.772 4.550 -0.001 0.000 0.294 176 Y C 0.911 176.827 175.900 0.027 0.000 1.122 176 Y CA 0.593 58.712 58.100 0.032 0.000 1.173 176 Y CB 0.492 39.039 38.460 0.145 0.000 1.077 176 Y HN -0.305 nan 8.280 nan 0.000 0.542 177 R N 1.812 122.301 120.500 -0.017 0.000 2.502 177 R HA 0.307 4.646 4.340 -0.001 0.000 0.298 177 R C -1.718 174.536 176.300 -0.076 0.000 1.018 177 R CA -0.426 55.611 56.100 -0.104 0.000 0.899 177 R CB 1.050 31.316 30.300 -0.058 0.000 1.181 177 R HN 0.538 nan 8.270 nan 0.000 0.444 178 N N 0.523 119.144 118.700 -0.133 0.000 2.610 178 N HA 0.470 5.210 4.740 -0.001 0.000 0.264 178 N C -2.529 172.784 175.510 -0.327 0.000 1.348 178 N CA -1.391 51.587 53.050 -0.121 0.000 0.819 178 N CB 1.536 40.073 38.487 0.083 0.000 1.521 178 N HN -0.054 nan 8.380 nan 0.000 0.497 179 P HA -0.073 nan 4.420 nan 0.000 0.221 179 P C 0.023 176.898 177.300 -0.709 0.000 1.145 179 P CA 1.136 63.789 63.100 -0.744 0.000 0.795 179 P CB 0.054 31.120 31.700 -1.057 0.000 0.775 180 W N -2.467 118.703 121.300 -0.216 0.000 3.197 180 W HA 0.131 4.790 4.660 -0.001 0.000 0.274 180 W C 0.424 176.928 176.519 -0.024 0.000 1.297 180 W CA 0.182 57.470 57.345 -0.096 0.000 1.662 180 W CB -0.636 28.786 29.460 -0.063 0.000 1.106 180 W HN 0.223 nan 8.180 nan 0.000 0.663 181 H N -0.525 118.603 119.070 0.097 0.000 2.820 181 H HA -0.155 4.400 4.556 -0.001 0.000 0.295 181 H C 0.229 175.583 175.328 0.043 0.000 1.187 181 H CA 1.066 57.131 56.048 0.028 0.000 1.144 181 H CB -1.943 27.822 29.762 0.004 0.000 1.354 181 H HN 0.160 nan 8.280 nan 0.000 0.395 182 I N 1.378 122.033 120.570 0.141 0.000 2.428 182 I HA 0.023 4.192 4.170 -0.001 0.000 0.289 182 I C 1.308 177.433 176.117 0.013 0.000 1.019 182 I CA -0.153 61.191 61.300 0.072 0.000 1.351 182 I CB 0.903 38.921 38.000 0.031 0.000 1.412 182 I HN 0.083 nan 8.210 nan 0.000 0.513 183 N N 4.984 123.692 118.700 0.014 0.000 2.482 183 N HA 0.091 4.831 4.740 -0.001 0.000 0.242 183 N C 0.880 176.363 175.510 -0.045 0.000 1.100 183 N CA -0.016 53.044 53.050 0.017 0.000 0.946 183 N CB 1.427 39.960 38.487 0.077 0.000 1.227 183 N HN 0.827 nan 8.380 nan 0.000 0.508 184 G N 2.357 111.050 108.800 -0.178 0.000 2.559 184 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.216 184 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.216 184 G C 0.617 175.357 174.900 -0.268 0.000 1.126 184 G CA 0.624 45.561 45.100 -0.272 0.000 0.778 184 G HN 0.576 nan 8.290 nan 0.000 0.543 185 Y N 0.408 120.727 120.300 0.031 0.000 2.347 185 Y HA 0.151 4.701 4.550 -0.001 0.000 0.294 185 Y C 2.680 178.593 175.900 0.022 0.000 1.117 185 Y CA 0.869 58.989 58.100 0.033 0.000 1.184 185 Y CB 0.004 38.498 38.460 0.056 0.000 1.047 185 Y HN 0.282 nan 8.280 nan 0.000 0.546 186 E N 0.015 120.313 120.200 0.163 0.000 2.086 186 E HA -0.049 4.300 4.350 -0.001 0.000 0.190 186 E C -0.058 176.569 176.600 0.045 0.000 0.975 186 E CA 0.910 57.368 56.400 0.096 0.000 0.813 186 E CB -0.171 29.580 29.700 0.085 0.000 0.768 186 E HN 0.473 nan 8.360 nan 0.000 0.457 187 N N 1.436 120.144 118.700 0.015 0.000 2.886 187 N HA 0.080 4.819 4.740 -0.001 0.000 0.285 187 N C -2.156 173.319 175.510 -0.057 0.000 1.706 187 N CA -0.901 52.138 53.050 -0.018 0.000 0.904 187 N CB 1.325 39.799 38.487 -0.021 0.000 1.224 187 N HN 0.018 nan 8.380 nan 0.000 0.488 188 P HA -0.150 nan 4.420 nan 0.000 0.216 188 P C 0.931 178.171 177.300 -0.100 0.000 1.153 188 P CA 1.289 64.336 63.100 -0.088 0.000 0.848 188 P CB 0.391 32.063 31.700 -0.047 0.000 0.787 189 S N 0.142 115.800 115.700 -0.070 0.000 2.382 189 S HA -0.178 4.291 4.470 -0.001 0.000 0.228 189 S C 2.074 176.612 174.600 -0.103 0.000 1.027 189 S CA 1.273 59.430 58.200 -0.071 0.000 0.991 189 S CB -0.799 62.373 63.200 -0.046 0.000 0.823 189 S HN 0.351 nan 8.310 nan 0.000 0.469 190 E N 0.509 120.645 120.200 -0.107 0.000 2.051 190 E HA -0.174 4.176 4.350 -0.001 0.000 0.192 190 E C 2.092 178.551 176.600 -0.235 0.000 0.991 190 E CA 1.021 57.337 56.400 -0.140 0.000 0.799 190 E CB -0.138 29.499 29.700 -0.104 0.000 0.748 190 E HN 0.318 nan 8.360 nan 0.000 0.449 191 L N 0.406 121.486 121.223 -0.239 0.000 2.056 191 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 191 L C 2.256 178.896 176.870 -0.385 0.000 1.078 191 L CA 1.309 55.944 54.840 -0.342 0.000 0.749 191 L CB -0.504 41.392 42.059 -0.273 0.000 0.901 191 L HN 0.012 nan 8.230 nan 0.000 0.433 192 V N 0.496 120.255 119.914 -0.259 0.000 2.332 192 V HA -0.302 3.818 4.120 -0.001 0.000 0.248 192 V C 2.417 178.426 176.094 -0.141 0.000 1.055 192 V CA 1.958 64.163 62.300 -0.158 0.000 1.038 192 V CB -0.928 30.864 31.823 -0.052 0.000 0.651 192 V HN 0.528 nan 8.190 nan 0.000 0.450 193 N N 0.081 118.682 118.700 -0.165 0.000 2.120 193 N HA -0.129 4.610 4.740 -0.001 0.000 0.188 193 N C 1.942 177.326 175.510 -0.210 0.000 1.024 193 N CA 1.069 54.035 53.050 -0.141 0.000 0.852 193 N CB -0.401 38.016 38.487 -0.118 0.000 1.003 193 N HN 0.339 nan 8.380 nan 0.000 0.424 194 R N 0.655 120.896 120.500 -0.432 0.000 2.096 194 R HA 0.018 4.357 4.340 -0.001 0.000 0.235 194 R C 2.192 178.164 176.300 -0.547 0.000 1.127 194 R CA 0.460 56.134 56.100 -0.709 0.000 0.968 194 R CB -1.073 28.220 30.300 -1.679 0.000 0.861 194 R HN 0.141 nan 8.270 nan 0.000 0.440 195 V N 1.541 121.160 119.914 -0.492 0.000 2.307 195 V HA -0.196 3.923 4.120 -0.001 0.000 0.245 195 V C 2.411 178.587 176.094 0.137 0.000 1.045 195 V CA 1.321 63.569 62.300 -0.085 0.000 1.024 195 V CB -0.368 31.401 31.823 -0.091 0.000 0.651 195 V HN 0.117 nan 8.190 nan 0.000 0.449 196 I N 0.078 120.697 120.570 0.081 0.000 2.226 196 I HA -0.197 3.972 4.170 -0.001 0.000 0.245 196 I C 2.488 178.660 176.117 0.092 0.000 1.100 196 I CA 1.547 62.904 61.300 0.096 0.000 1.374 196 I CB -1.216 36.812 38.000 0.046 0.000 1.057 196 I HN 0.452 nan 8.210 nan 0.000 0.413 197 E N 0.216 120.468 120.200 0.087 0.000 2.077 197 E HA -0.256 4.094 4.350 -0.001 0.000 0.193 197 E C 2.155 178.912 176.600 0.263 0.000 0.989 197 E CA 1.161 57.640 56.400 0.132 0.000 0.800 197 E CB -0.267 29.505 29.700 0.119 0.000 0.746 197 E HN 0.345 nan 8.360 nan 0.000 0.452 198 F N 1.201 121.266 119.950 0.191 0.000 2.126 198 F HA -0.221 4.306 4.527 -0.001 0.000 0.299 198 F C 1.895 177.770 175.800 0.125 0.000 1.096 198 F CA 1.427 59.584 58.000 0.261 0.000 1.255 198 F CB -0.021 39.153 39.000 0.289 0.000 0.997 198 F HN -0.059 nan 8.300 nan 0.000 0.479 199 I N -0.191 120.505 120.570 0.209 0.000 2.162 199 I HA -0.249 3.921 4.170 -0.001 0.000 0.238 199 I C 2.453 178.240 176.117 -0.550 0.000 1.076 199 I CA 1.802 62.978 61.300 -0.207 0.000 1.353 199 I CB -0.656 37.182 38.000 -0.271 0.000 1.063 199 I HN 0.150 nan 8.210 nan 0.000 0.408 200 E N 0.906 120.932 120.200 -0.290 0.000 2.072 200 E HA -0.229 4.120 4.350 -0.001 0.000 0.191 200 E C 1.208 177.786 176.600 -0.036 0.000 0.985 200 E CA 1.439 57.777 56.400 -0.102 0.000 0.801 200 E CB 0.178 29.936 29.700 0.096 0.000 0.750 200 E HN 0.390 nan 8.360 nan 0.000 0.452 201 D N -1.474 118.874 120.400 -0.087 0.000 2.350 201 D HA 0.007 4.646 4.640 -0.001 0.000 0.213 201 D C 0.402 176.344 176.300 -0.596 0.000 1.031 201 D CA 0.506 54.341 54.000 -0.275 0.000 0.861 201 D CB 0.366 40.982 40.800 -0.306 0.000 0.926 201 D HN 0.314 nan 8.370 nan 0.000 0.520 202 Y N -0.489 119.695 120.300 -0.193 0.000 3.011 202 Y HA 0.127 4.676 4.550 -0.001 0.000 0.231 202 Y C 2.100 177.860 175.900 -0.233 0.000 0.983 202 Y CA -0.432 57.507 58.100 -0.268 0.000 1.429 202 Y CB 0.058 38.206 38.460 -0.520 0.000 1.491 202 Y HN -0.231 nan 8.280 nan 0.000 0.444 203 I N 0.166 120.663 120.570 -0.122 0.000 2.163 203 I HA -0.282 3.888 4.170 -0.001 0.000 0.243 203 I C 1.894 178.038 176.117 0.045 0.000 1.085 203 I CA 1.860 63.109 61.300 -0.085 0.000 1.347 203 I CB -1.244 36.673 38.000 -0.138 0.000 1.044 203 I HN 0.167 nan 8.210 nan 0.000 0.408 204 F N 0.364 120.244 119.950 -0.117 0.000 2.502 204 F HA -0.013 4.513 4.527 -0.001 0.000 0.298 204 F C 2.408 178.104 175.800 -0.173 0.000 1.111 204 F CA 0.360 58.250 58.000 -0.182 0.000 1.445 204 F CB -1.267 37.589 39.000 -0.241 0.000 1.081 204 F HN -0.119 nan 8.300 nan 0.000 0.558 205 V N -0.538 119.390 119.914 0.024 0.000 2.581 205 V HA -0.101 4.018 4.120 -0.001 0.000 0.240 205 V C 1.597 177.659 176.094 -0.052 0.000 1.054 205 V CA 1.464 63.736 62.300 -0.047 0.000 1.076 205 V CB -0.449 31.300 31.823 -0.124 0.000 0.748 205 V HN 0.209 nan 8.190 nan 0.000 0.474 206 N N -0.537 118.134 118.700 -0.049 0.000 2.387 206 N HA 0.040 4.779 4.740 -0.001 0.000 0.176 206 N C 1.421 176.906 175.510 -0.041 0.000 1.022 206 N CA 0.558 53.586 53.050 -0.038 0.000 0.883 206 N CB 0.312 38.787 38.487 -0.019 0.000 1.019 206 N HN 0.243 nan 8.380 nan 0.000 0.435 207 L N -0.329 120.867 121.223 -0.046 0.000 2.347 207 L HA 0.382 4.722 4.340 -0.001 0.000 0.196 207 L C -0.066 176.714 176.870 -0.150 0.000 1.072 207 L CA 0.663 55.458 54.840 -0.075 0.000 0.817 207 L CB 0.508 42.532 42.059 -0.059 0.000 1.029 207 L HN -0.104 nan 8.230 nan 0.000 0.478 208 V N 0.345 120.167 119.914 -0.153 0.000 2.760 208 V HA 0.554 4.673 4.120 -0.001 0.000 0.309 208 V C -2.608 173.356 176.094 -0.216 0.000 1.077 208 V CA -2.099 60.021 62.300 -0.301 0.000 0.910 208 V CB 2.038 33.541 31.823 -0.532 0.000 1.008 208 V HN 0.029 nan 8.190 nan 0.000 0.424 209 P HA 0.261 nan 4.420 nan 0.000 0.271 209 P C -2.118 174.939 177.300 -0.405 0.000 1.226 209 P CA -1.217 61.734 63.100 -0.248 0.000 0.765 209 P CB 0.480 32.097 31.700 -0.139 0.000 0.835 210 P HA -0.207 nan 4.420 nan 0.000 0.219 210 P C 0.891 177.859 177.300 -0.553 0.000 1.146 210 P CA 1.528 63.880 63.100 -1.245 0.000 0.808 210 P CB 0.164 30.426 31.700 -2.396 0.000 0.779 211 E N 0.217 120.229 120.200 -0.313 0.000 2.409 211 E HA -0.120 4.229 4.350 -0.001 0.000 0.198 211 E C 1.406 177.974 176.600 -0.054 0.000 1.024 211 E CA 0.756 57.093 56.400 -0.105 0.000 0.861 211 E CB -0.238 29.433 29.700 -0.048 0.000 0.788 211 E HN 0.555 nan 8.360 nan 0.000 0.521 212 E N 0.224 120.402 120.200 -0.038 0.000 2.481 212 E HA 0.085 4.434 4.350 -0.001 0.000 0.198 212 E C -0.276 176.424 176.600 0.167 0.000 1.027 212 E CA -0.119 56.335 56.400 0.091 0.000 0.900 212 E CB 1.025 30.860 29.700 0.224 0.000 0.993 212 E HN -0.097 nan 8.360 nan 0.000 0.482 213 V N 1.755 121.710 119.914 0.068 0.000 2.408 213 V HA 0.117 4.236 4.120 -0.001 0.000 0.267 213 V C 1.091 177.234 176.094 0.081 0.000 1.047 213 V CA 0.117 62.489 62.300 0.120 0.000 0.937 213 V CB 0.988 32.865 31.823 0.090 0.000 0.999 213 V HN 0.214 nan 8.190 nan 0.000 0.472 214 A N 4.383 127.252 122.820 0.083 0.000 1.873 214 A HA 0.434 4.753 4.320 -0.001 0.000 0.215 214 A C 1.163 178.785 177.584 0.064 0.000 1.186 214 A CA 1.372 53.436 52.037 0.045 0.000 0.616 214 A CB -0.248 18.768 19.000 0.027 0.000 0.823 214 A HN 1.127 nan 8.150 nan 0.000 0.442 215 G N -2.203 106.674 108.800 0.128 0.000 2.576 215 G HA2 0.507 4.467 3.960 -0.001 0.000 0.290 215 G HA3 0.507 4.467 3.960 -0.001 0.000 0.290 215 G C -1.453 173.581 174.900 0.223 0.000 1.442 215 G CA -0.676 44.500 45.100 0.126 0.000 0.792 215 G HN 0.173 nan 8.290 nan 0.000 0.491 216 I N 0.584 121.273 120.570 0.197 0.000 2.389 216 I HA 0.409 4.579 4.170 -0.001 0.000 0.288 216 I C -0.961 175.332 176.117 0.294 0.000 0.999 216 I CA -0.520 60.959 61.300 0.300 0.000 1.129 216 I CB 1.520 39.732 38.000 0.352 0.000 1.288 216 I HN 0.192 nan 8.210 nan 0.000 0.444 217 F N 7.191 127.195 119.950 0.089 0.000 2.404 217 F HA 0.621 5.148 4.527 -0.001 0.000 0.339 217 F C -0.053 175.958 175.800 0.352 0.000 1.105 217 F CA -0.604 57.370 58.000 -0.043 0.000 1.087 217 F CB 1.224 40.031 39.000 -0.322 0.000 1.143 217 F HN 0.257 nan 8.300 nan 0.000 0.491 218 F N -0.973 119.272 119.950 0.491 0.000 2.693 218 F HA 0.654 5.181 4.527 -0.001 0.000 0.309 218 F C -1.469 174.580 175.800 0.414 0.000 1.129 218 F CA -1.500 56.873 58.000 0.621 0.000 0.948 218 F CB 1.107 40.496 39.000 0.647 0.000 1.315 218 F HN 0.353 nan 8.300 nan 0.000 0.447 219 E N 2.927 123.499 120.200 0.620 0.000 2.191 219 E HA 0.324 4.674 4.350 -0.001 0.000 0.278 219 E C -2.013 174.862 176.600 0.459 0.000 0.972 219 E CA -2.072 54.536 56.400 0.346 0.000 0.804 219 E CB 2.031 31.801 29.700 0.118 0.000 1.110 219 E HN 0.434 nan 8.360 nan 0.000 0.394 220 P HA -0.079 nan 4.420 nan 0.000 0.220 220 P C 0.046 177.485 177.300 0.231 0.000 1.148 220 P CA 1.237 64.374 63.100 0.063 0.000 0.803 220 P CB 0.744 32.474 31.700 0.050 0.000 0.782 221 I N -0.429 120.252 120.570 0.186 0.000 2.586 221 I HA 0.183 4.352 4.170 -0.001 0.000 0.288 221 I C -0.148 175.919 176.117 -0.083 0.000 1.147 221 I CA -0.800 60.562 61.300 0.103 0.000 1.047 221 I CB 2.574 40.586 38.000 0.020 0.000 1.244 221 I HN -0.266 nan 8.210 nan 0.000 0.429 222 Q N 3.701 123.398 119.800 -0.172 0.000 2.271 222 Q HA 0.167 4.506 4.340 -0.001 0.000 0.273 222 Q C 0.954 176.763 176.000 -0.319 0.000 1.051 222 Q CA 0.155 55.784 55.803 -0.289 0.000 0.901 222 Q CB 1.726 30.196 28.738 -0.446 0.000 1.174 222 Q HN 0.918 nan 8.270 nan 0.000 0.385 223 G N 2.603 111.222 108.800 -0.301 0.000 2.624 223 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.216 223 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.216 223 G C 0.918 175.776 174.900 -0.070 0.000 1.274 223 G CA 0.040 44.934 45.100 -0.343 0.000 0.856 223 G HN 0.528 nan 8.290 nan 0.000 0.555 224 E N 1.051 121.192 120.200 -0.097 0.000 2.219 224 E HA -0.098 4.252 4.350 -0.001 0.000 0.198 224 E C 2.572 179.144 176.600 -0.046 0.000 0.998 224 E CA 0.995 57.325 56.400 -0.117 0.000 0.818 224 E CB -0.857 28.659 29.700 -0.308 0.000 0.741 224 E HN 0.373 nan 8.360 nan 0.000 0.477 225 G N -0.013 108.753 108.800 -0.057 0.000 2.559 225 G HA2 0.014 3.974 3.960 -0.001 0.000 0.216 225 G HA3 0.014 3.974 3.960 -0.001 0.000 0.216 225 G C 1.012 175.915 174.900 0.005 0.000 1.126 225 G CA 0.737 45.807 45.100 -0.050 0.000 0.778 225 G HN 0.450 nan 8.290 nan 0.000 0.543 226 G N -1.645 107.195 108.800 0.067 0.000 2.157 226 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.118 226 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.118 226 G C 0.236 175.283 174.900 0.245 0.000 1.032 226 G CA -0.138 45.051 45.100 0.149 0.000 0.697 226 G HN 0.643 nan 8.290 nan 0.000 0.495 227 Y N -2.312 117.981 120.300 -0.012 0.000 3.078 227 Y HA -0.218 4.332 4.550 -0.001 0.000 0.202 227 Y C 1.051 176.962 175.900 0.017 0.000 1.322 227 Y CA 0.605 58.702 58.100 -0.004 0.000 1.118 227 Y CB -1.808 36.647 38.460 -0.009 0.000 1.343 227 Y HN 0.483 nan 8.280 nan 0.000 0.499 228 V N 3.254 123.191 119.914 0.038 0.000 2.389 228 V HA 0.180 4.299 4.120 -0.001 0.000 0.264 228 V C 0.777 176.958 176.094 0.145 0.000 1.049 228 V CA -0.440 61.915 62.300 0.091 0.000 0.932 228 V CB 0.780 32.638 31.823 0.059 0.000 1.011 228 V HN 0.251 nan 8.190 nan 0.000 0.475 229 I N 8.851 129.515 120.570 0.156 0.000 2.304 229 I HA 0.346 4.515 4.170 -0.001 0.000 0.291 229 I C -1.836 174.359 176.117 0.129 0.000 1.018 229 I CA -1.751 59.668 61.300 0.198 0.000 1.260 229 I CB 1.779 39.888 38.000 0.182 0.000 1.390 229 I HN 0.442 nan 8.210 nan 0.000 0.475 230 P HA 0.326 nan 4.420 nan 0.000 0.276 230 P C -2.661 174.612 177.300 -0.044 0.000 1.261 230 P CA -1.845 61.096 63.100 -0.264 0.000 0.800 230 P CB -0.124 31.101 31.700 -0.792 0.000 1.066 231 P HA 0.020 nan 4.420 nan 0.000 0.266 231 P C 1.168 178.559 177.300 0.152 0.000 1.193 231 P CA 0.180 63.268 63.100 -0.020 0.000 0.770 231 P CB 0.312 31.950 31.700 -0.105 0.000 0.836 232 K N 3.139 123.639 120.400 0.166 0.000 2.113 232 K HA -0.217 4.103 4.320 -0.001 0.000 0.208 232 K C 1.192 177.946 176.600 0.257 0.000 1.047 232 K CA 1.713 58.127 56.287 0.212 0.000 0.928 232 K CB -0.164 32.362 32.500 0.043 0.000 0.716 232 K HN 0.509 nan 8.250 nan 0.000 0.446 233 N N 0.057 118.830 118.700 0.122 0.000 2.268 233 N HA -0.094 4.645 4.740 -0.001 0.000 0.204 233 N C 1.228 176.730 175.510 -0.014 0.000 1.124 233 N CA -0.088 53.003 53.050 0.069 0.000 0.838 233 N CB -0.218 38.284 38.487 0.025 0.000 0.994 233 N HN 0.120 nan 8.380 nan 0.000 0.489 234 F N 1.617 121.416 119.950 -0.252 0.000 2.095 234 F HA -0.001 4.525 4.527 -0.001 0.000 0.298 234 F C 1.203 176.666 175.800 -0.562 0.000 1.104 234 F CA 1.207 58.893 58.000 -0.522 0.000 1.232 234 F CB -0.424 38.039 39.000 -0.895 0.000 0.987 234 F HN -0.102 nan 8.300 nan 0.000 0.475 235 F N 0.540 120.145 119.950 -0.575 0.000 2.293 235 F HA 0.037 4.564 4.527 -0.001 0.000 0.300 235 F C 2.534 178.095 175.800 -0.397 0.000 1.086 235 F CA 0.837 58.415 58.000 -0.704 0.000 1.375 235 F CB -1.555 37.117 39.000 -0.547 0.000 1.045 235 F HN 0.099 nan 8.300 nan 0.000 0.516 236 A N -0.158 122.610 122.820 -0.088 0.000 1.898 236 A HA -0.128 4.191 4.320 -0.001 0.000 0.216 236 A C 2.260 179.780 177.584 -0.107 0.000 1.181 236 A CA 1.436 53.446 52.037 -0.045 0.000 0.620 236 A CB -0.443 18.556 19.000 -0.002 0.000 0.819 236 A HN 0.197 nan 8.150 nan 0.000 0.442 237 E N -0.512 119.582 120.200 -0.177 0.000 2.106 237 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 237 E C 1.967 178.450 176.600 -0.195 0.000 0.984 237 E CA 0.954 57.260 56.400 -0.157 0.000 0.806 237 E CB -0.428 29.188 29.700 -0.140 0.000 0.750 237 E HN 0.502 nan 8.360 nan 0.000 0.458 238 L N 1.369 122.355 121.223 -0.395 0.000 2.046 238 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 238 L C 2.478 179.287 176.870 -0.102 0.000 1.077 238 L CA 1.822 56.466 54.840 -0.327 0.000 0.747 238 L CB -0.431 41.244 42.059 -0.640 0.000 0.896 238 L HN 0.081 nan 8.230 nan 0.000 0.432 239 Q N -0.550 119.195 119.800 -0.092 0.000 2.119 239 Q HA -0.269 4.071 4.340 -0.001 0.000 0.201 239 Q C 2.310 178.311 176.000 0.002 0.000 0.972 239 Q CA 1.803 57.601 55.803 -0.007 0.000 0.847 239 Q CB -0.140 28.600 28.738 0.004 0.000 0.903 239 Q HN 0.543 nan 8.270 nan 0.000 0.433 240 K N 0.029 120.417 120.400 -0.020 0.000 2.026 240 K HA -0.204 4.116 4.320 -0.001 0.000 0.208 240 K C 2.072 178.678 176.600 0.009 0.000 1.048 240 K CA 1.321 57.599 56.287 -0.014 0.000 0.929 240 K CB -0.202 32.284 32.500 -0.023 0.000 0.713 240 K HN 0.269 nan 8.250 nan 0.000 0.439 241 L N 1.069 122.322 121.223 0.049 0.000 2.017 241 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 241 L C 2.258 179.258 176.870 0.218 0.000 1.073 241 L CA 2.135 57.067 54.840 0.154 0.000 0.745 241 L CB -0.768 41.405 42.059 0.189 0.000 0.894 241 L HN 0.248 nan 8.230 nan 0.000 0.432 242 A N -0.561 122.362 122.820 0.172 0.000 1.877 242 A HA -0.194 4.125 4.320 -0.001 0.000 0.216 242 A C 2.233 179.875 177.584 0.096 0.000 1.186 242 A CA 1.771 53.915 52.037 0.178 0.000 0.620 242 A CB -0.557 18.527 19.000 0.139 0.000 0.822 242 A HN 0.407 nan 8.150 nan 0.000 0.443 243 K N 0.009 120.427 120.400 0.030 0.000 2.103 243 K HA -0.172 4.148 4.320 -0.001 0.000 0.207 243 K C 1.917 178.468 176.600 -0.083 0.000 1.048 243 K CA 1.660 57.934 56.287 -0.022 0.000 0.930 243 K CB -0.397 32.084 32.500 -0.032 0.000 0.716 243 K HN 0.632 nan 8.250 nan 0.000 0.444 244 K N -0.129 120.181 120.400 -0.149 0.000 2.152 244 K HA -0.167 4.152 4.320 -0.001 0.000 0.206 244 K C 0.773 177.021 176.600 -0.586 0.000 1.048 244 K CA 1.429 57.477 56.287 -0.399 0.000 0.933 244 K CB 0.048 32.225 32.500 -0.538 0.000 0.721 244 K HN 0.133 nan 8.250 nan 0.000 0.447 245 Y N -1.102 119.179 120.300 -0.032 0.000 2.612 245 Y HA 0.284 4.834 4.550 -0.001 0.000 0.250 245 Y C 0.875 176.734 175.900 -0.068 0.000 1.175 245 Y CA -0.069 57.983 58.100 -0.079 0.000 1.205 245 Y CB 1.229 39.590 38.460 -0.166 0.000 1.201 245 Y HN 0.192 nan 8.280 nan 0.000 0.532 246 G N 1.254 110.080 108.800 0.043 0.000 2.179 246 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.257 246 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.257 246 G C 0.048 174.965 174.900 0.028 0.000 1.010 246 G CA 0.143 45.252 45.100 0.015 0.000 0.736 246 G HN 0.361 nan 8.290 nan 0.000 0.513 247 I N 0.479 121.091 120.570 0.070 0.000 2.428 247 I HA 0.356 4.525 4.170 -0.001 0.000 0.289 247 I C 1.162 177.311 176.117 0.054 0.000 1.019 247 I CA -0.752 60.595 61.300 0.077 0.000 1.351 247 I CB 0.944 39.032 38.000 0.147 0.000 1.412 247 I HN -0.023 nan 8.210 nan 0.000 0.513 248 L N 6.426 127.663 121.223 0.023 0.000 2.418 248 L HA 0.399 4.739 4.340 -0.001 0.000 0.265 248 L C -0.352 176.519 176.870 0.001 0.000 1.143 248 L CA -0.532 54.298 54.840 -0.016 0.000 0.809 248 L CB 0.691 42.706 42.059 -0.074 0.000 1.124 248 L HN 0.398 nan 8.230 nan 0.000 0.456 249 L N 3.129 124.352 121.223 0.000 0.000 2.287 249 L HA 0.447 4.786 4.340 -0.001 0.000 0.287 249 L C -0.732 176.031 176.870 -0.178 0.000 1.022 249 L CA -0.674 54.206 54.840 0.066 0.000 0.814 249 L CB 1.831 44.036 42.059 0.244 0.000 1.217 249 L HN 0.281 nan 8.230 nan 0.000 0.420 250 V N 1.915 121.534 119.914 -0.492 0.000 2.347 250 V HA 0.190 4.309 4.120 -0.001 0.000 0.280 250 V C -0.388 175.064 176.094 -1.070 0.000 1.021 250 V CA -0.540 61.292 62.300 -0.779 0.000 0.847 250 V CB 1.743 32.727 31.823 -1.398 0.000 0.990 250 V HN 0.626 nan 8.190 nan 0.000 0.444 251 D N 3.554 123.495 120.400 -0.765 0.000 2.396 251 D HA 0.160 4.799 4.640 -0.001 0.000 0.225 251 D C -0.442 175.676 176.300 -0.303 0.000 1.121 251 D CA -0.288 53.271 54.000 -0.735 0.000 0.853 251 D CB 1.119 41.758 40.800 -0.268 0.000 1.043 251 D HN 0.499 nan 8.370 nan 0.000 0.500 252 D N 3.478 123.756 120.400 -0.203 0.000 2.393 252 D HA 0.069 4.708 4.640 -0.001 0.000 0.232 252 D C -0.040 176.307 176.300 0.078 0.000 1.192 252 D CA -0.066 53.958 54.000 0.040 0.000 0.882 252 D CB 0.721 41.673 40.800 0.254 0.000 1.038 252 D HN 0.397 nan 8.370 nan 0.000 0.499 253 E N 2.844 123.097 120.200 0.088 0.000 2.437 253 E HA 0.038 4.388 4.350 -0.001 0.000 0.195 253 E C 1.637 178.278 176.600 0.068 0.000 1.029 253 E CA -0.070 56.385 56.400 0.091 0.000 0.948 253 E CB 0.910 30.695 29.700 0.142 0.000 1.082 253 E HN 0.336 nan 8.360 nan 0.000 0.456 254 V N 0.912 120.879 119.914 0.088 0.000 2.392 254 V HA -0.281 3.838 4.120 -0.001 0.000 0.249 254 V C 2.348 178.477 176.094 0.058 0.000 1.059 254 V CA 2.083 64.433 62.300 0.084 0.000 1.051 254 V CB -0.229 31.667 31.823 0.121 0.000 0.658 254 V HN 0.308 nan 8.190 nan 0.000 0.455 255 Q N -2.019 117.810 119.800 0.048 0.000 2.423 255 Q HA 0.066 4.406 4.340 -0.001 0.000 0.231 255 Q C 1.949 177.954 176.000 0.009 0.000 0.894 255 Q CA 0.249 56.070 55.803 0.030 0.000 0.938 255 Q CB 0.328 29.078 28.738 0.019 0.000 1.079 255 Q HN 0.410 nan 8.270 nan 0.000 0.552 256 M N 0.081 119.677 119.600 -0.007 0.000 2.509 256 M HA 0.227 4.707 4.480 -0.001 0.000 0.250 256 M C 0.993 177.289 176.300 -0.007 0.000 1.132 256 M CA 0.323 55.617 55.300 -0.010 0.000 1.080 256 M CB -0.027 32.568 32.600 -0.008 0.000 1.408 256 M HN 0.081 nan 8.290 nan 0.000 0.484 257 G N 0.175 108.960 108.800 -0.025 0.000 2.588 257 G HA2 0.421 4.381 3.960 -0.001 0.000 0.278 257 G HA3 0.421 4.381 3.960 -0.001 0.000 0.278 257 G C 0.325 175.133 174.900 -0.153 0.000 1.307 257 G CA -0.682 44.354 45.100 -0.107 0.000 1.016 257 G HN 0.503 nan 8.290 nan 0.000 0.503 258 L N -0.493 120.559 121.223 -0.284 0.000 3.677 258 L HA -0.264 4.076 4.340 -0.001 0.000 0.464 258 L C 1.681 178.467 176.870 -0.140 0.000 1.278 258 L CA 0.559 55.257 54.840 -0.236 0.000 0.806 258 L CB -1.798 40.153 42.059 -0.179 0.000 1.610 258 L HN 1.763 nan 8.230 nan 0.000 0.867 259 G N -0.621 108.106 108.800 -0.122 0.000 2.241 259 G HA2 -0.405 3.554 3.960 -0.001 0.000 0.244 259 G HA3 -0.405 3.554 3.960 -0.001 0.000 0.244 259 G C 0.869 175.742 174.900 -0.044 0.000 0.998 259 G CA 0.720 45.778 45.100 -0.070 0.000 0.621 259 G HN 0.504 nan 8.290 nan 0.000 0.519 260 R N 1.583 122.058 120.500 -0.041 0.000 2.119 260 R HA -0.103 4.236 4.340 -0.001 0.000 0.246 260 R C 2.595 178.881 176.300 -0.023 0.000 1.146 260 R CA 3.166 59.253 56.100 -0.021 0.000 0.962 260 R CB -1.114 29.189 30.300 0.005 0.000 0.863 260 R HN 0.862 nan 8.270 nan 0.000 0.442 261 T N -3.890 110.650 114.554 -0.022 0.000 3.163 261 T HA 0.327 4.676 4.350 -0.001 0.000 0.252 261 T C 1.098 175.778 174.700 -0.033 0.000 1.056 261 T CA 0.282 62.361 62.100 -0.034 0.000 0.947 261 T CB 0.255 69.115 68.868 -0.013 0.000 1.016 261 T HN 0.471 nan 8.240 nan 0.000 0.554 262 G N 1.048 109.834 108.800 -0.025 0.000 2.157 262 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.239 262 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.239 262 G C -0.126 174.765 174.900 -0.015 0.000 0.982 262 G CA -0.059 45.031 45.100 -0.017 0.000 0.650 262 G HN 0.619 nan 8.290 nan 0.000 0.527 263 K N -0.730 119.662 120.400 -0.014 0.000 2.435 263 K HA 0.593 4.913 4.320 -0.001 0.000 0.251 263 K C 0.760 177.343 176.600 -0.027 0.000 0.954 263 K CA -0.926 55.362 56.287 0.001 0.000 0.820 263 K CB 1.799 34.321 32.500 0.037 0.000 1.292 263 K HN 0.128 nan 8.250 nan 0.000 0.436 264 L N 0.878 122.087 121.223 -0.024 0.000 2.046 264 L HA 0.076 4.415 4.340 -0.001 0.000 0.208 264 L C -0.151 176.510 176.870 -0.349 0.000 1.077 264 L CA 1.903 56.650 54.840 -0.154 0.000 0.747 264 L CB -0.041 41.985 42.059 -0.056 0.000 0.896 264 L HN 0.466 nan 8.230 nan 0.000 0.432 265 F N -1.598 118.362 119.950 0.016 0.000 2.507 265 F HA 0.495 5.021 4.527 -0.001 0.000 0.328 265 F C 1.112 176.941 175.800 0.049 0.000 1.136 265 F CA -0.293 57.726 58.000 0.032 0.000 0.930 265 F CB 1.170 40.191 39.000 0.034 0.000 1.166 265 F HN -0.113 nan 8.300 nan 0.000 0.436 266 A N 2.707 125.640 122.820 0.189 0.000 2.024 266 A HA -0.199 4.120 4.320 -0.001 0.000 0.220 266 A C 2.076 179.834 177.584 0.290 0.000 1.164 266 A CA 1.653 53.803 52.037 0.188 0.000 0.643 266 A CB -0.670 18.429 19.000 0.166 0.000 0.806 266 A HN 0.777 nan 8.150 nan 0.000 0.451 267 I N 0.336 121.074 120.570 0.281 0.000 2.700 267 I HA -0.186 3.984 4.170 -0.001 0.000 0.261 267 I C 1.905 178.192 176.117 0.283 0.000 1.219 267 I CA 1.379 62.851 61.300 0.287 0.000 1.463 267 I CB -0.357 37.718 38.000 0.126 0.000 1.092 267 I HN 0.446 nan 8.210 nan 0.000 0.452 268 E N 0.215 120.536 120.200 0.202 0.000 2.160 268 E HA -0.212 4.137 4.350 -0.001 0.000 0.195 268 E C 1.616 178.251 176.600 0.059 0.000 0.991 268 E CA 1.043 57.517 56.400 0.123 0.000 0.810 268 E CB -0.264 29.502 29.700 0.110 0.000 0.742 268 E HN 0.579 nan 8.360 nan 0.000 0.466 269 N N -0.057 118.643 118.700 -0.001 0.000 2.453 269 N HA -0.104 4.635 4.740 -0.001 0.000 0.183 269 N C 0.659 175.900 175.510 -0.449 0.000 1.041 269 N CA 0.911 53.800 53.050 -0.267 0.000 0.900 269 N CB 0.067 38.282 38.487 -0.454 0.000 0.961 269 N HN 0.182 nan 8.380 nan 0.000 0.443 270 F N 0.527 120.540 119.950 0.105 0.000 2.653 270 F HA 0.288 4.815 4.527 -0.001 0.000 0.304 270 F C 0.377 176.234 175.800 0.096 0.000 1.092 270 F CA -0.572 57.514 58.000 0.142 0.000 1.279 270 F CB -0.103 39.086 39.000 0.315 0.000 1.044 270 F HN -0.165 nan 8.300 nan 0.000 0.564 271 N N 1.411 120.209 118.700 0.164 0.000 2.714 271 N HA -0.170 4.569 4.740 -0.001 0.000 0.252 271 N C -0.564 175.017 175.510 0.119 0.000 1.014 271 N CA 1.174 54.288 53.050 0.108 0.000 0.735 271 N CB -1.529 37.000 38.487 0.070 0.000 0.924 271 N HN 0.183 nan 8.380 nan 0.000 0.540 272 T N -0.253 114.384 114.554 0.139 0.000 2.886 272 T HA 0.451 4.801 4.350 -0.001 0.000 0.292 272 T C 0.163 174.912 174.700 0.082 0.000 1.012 272 T CA -0.495 61.670 62.100 0.108 0.000 0.982 272 T CB 2.833 71.775 68.868 0.123 0.000 1.018 272 T HN -0.100 nan 8.240 nan 0.000 0.451 273 V N 6.270 126.233 119.914 0.081 0.000 2.333 273 V HA 0.391 4.511 4.120 -0.001 0.000 0.274 273 V C -1.772 174.391 176.094 0.115 0.000 1.028 273 V CA -1.629 60.723 62.300 0.087 0.000 0.851 273 V CB 0.944 32.844 31.823 0.129 0.000 1.000 273 V HN 0.704 nan 8.190 nan 0.000 0.456 274 P HA 0.331 nan 4.420 nan 0.000 0.279 274 P C -0.161 177.191 177.300 0.088 0.000 1.276 274 P CA -0.347 62.805 63.100 0.087 0.000 0.801 274 P CB 1.677 33.402 31.700 0.041 0.000 1.127 275 D N -1.028 119.385 120.400 0.021 0.000 2.277 275 D HA 0.088 4.727 4.640 -0.001 0.000 0.209 275 D C 0.268 176.580 176.300 0.021 0.000 0.970 275 D CA 1.055 55.052 54.000 -0.005 0.000 0.874 275 D CB 0.519 41.280 40.800 -0.065 0.000 0.982 275 D HN 0.081 nan 8.370 nan 0.000 0.504 276 V N 1.338 121.226 119.914 -0.045 0.000 2.841 276 V HA 0.438 4.557 4.120 -0.001 0.000 0.310 276 V C -0.483 175.561 176.094 -0.084 0.000 1.090 276 V CA -0.753 61.529 62.300 -0.029 0.000 0.930 276 V CB 3.044 34.798 31.823 -0.114 0.000 1.014 276 V HN -0.104 nan 8.190 nan 0.000 0.425 277 I N 2.768 123.333 120.570 -0.008 0.000 2.582 277 I HA 0.602 4.772 4.170 -0.001 0.000 0.292 277 I C -0.277 175.885 176.117 0.076 0.000 1.066 277 I CA -0.449 60.856 61.300 0.008 0.000 1.053 277 I CB 2.832 40.860 38.000 0.047 0.000 1.241 277 I HN 0.765 nan 8.210 nan 0.000 0.421 278 T N 4.378 118.980 114.554 0.079 0.000 2.829 278 T HA 0.828 5.178 4.350 -0.001 0.000 0.280 278 T C -0.684 174.097 174.700 0.134 0.000 0.999 278 T CA -0.735 61.436 62.100 0.119 0.000 0.983 278 T CB 1.735 70.674 68.868 0.119 0.000 0.968 278 T HN 0.364 nan 8.240 nan 0.000 0.446 279 L N 1.472 122.776 121.223 0.135 0.000 2.371 279 L HA 0.927 5.267 4.340 -0.001 0.000 0.262 279 L C 0.047 176.979 176.870 0.103 0.000 1.006 279 L CA -1.070 53.835 54.840 0.108 0.000 0.818 279 L CB 1.981 44.104 42.059 0.105 0.000 1.354 279 L HN 1.099 nan 8.230 nan 0.000 0.415 280 A N 0.740 123.605 122.820 0.076 0.000 4.989 280 A HA 0.441 4.761 4.320 -0.001 0.000 0.238 280 A C -0.008 177.601 177.584 0.042 0.000 0.962 280 A CA -0.027 52.054 52.037 0.074 0.000 0.608 280 A CB 0.417 19.473 19.000 0.093 0.000 1.893 280 A HN 0.628 nan 8.150 nan 0.000 0.923 281 K N -1.942 118.483 120.400 0.041 0.000 6.244 281 K HA -0.411 3.908 4.320 -0.001 0.000 0.320 281 K C 1.769 178.359 176.600 -0.017 0.000 0.632 281 K CA 2.481 58.777 56.287 0.015 0.000 1.101 281 K CB -1.642 30.871 32.500 0.022 0.000 0.782 281 K HN 1.576 nan 8.250 nan 0.000 0.907 282 A N 0.900 123.702 122.820 -0.030 0.000 2.024 282 A HA -0.138 4.181 4.320 -0.001 0.000 0.220 282 A C 2.029 179.582 177.584 -0.051 0.000 1.164 282 A CA 1.883 53.886 52.037 -0.055 0.000 0.643 282 A CB -0.385 18.578 19.000 -0.061 0.000 0.806 282 A HN 0.406 nan 8.150 nan 0.000 0.451 283 L N 0.022 121.227 121.223 -0.030 0.000 2.129 283 L HA -0.106 4.233 4.340 -0.001 0.000 0.212 283 L C 2.126 178.974 176.870 -0.037 0.000 1.087 283 L CA 2.115 56.942 54.840 -0.021 0.000 0.757 283 L CB -0.770 41.302 42.059 0.021 0.000 0.896 283 L HN 0.297 nan 8.230 nan 0.000 0.434 284 G N -2.169 106.607 108.800 -0.040 0.000 3.088 284 G HA2 0.272 4.232 3.960 -0.001 0.000 0.212 284 G HA3 0.272 4.232 3.960 -0.001 0.000 0.212 284 G C 1.206 176.068 174.900 -0.064 0.000 1.173 284 G CA 0.322 45.387 45.100 -0.058 0.000 0.779 284 G HN 0.801 nan 8.290 nan 0.000 0.540 285 G N -0.779 107.981 108.800 -0.068 0.000 2.186 285 G HA2 0.089 4.049 3.960 -0.001 0.000 0.266 285 G HA3 0.089 4.049 3.960 -0.001 0.000 0.266 285 G C 1.329 176.173 174.900 -0.093 0.000 0.982 285 G CA 1.148 46.205 45.100 -0.072 0.000 0.670 285 G HN 1.885 nan 8.290 nan 0.000 0.533 286 G N -1.200 107.536 108.800 -0.108 0.000 2.175 286 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.244 286 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.244 286 G C 1.125 175.975 174.900 -0.083 0.000 0.982 286 G CA 0.825 45.834 45.100 -0.152 0.000 0.641 286 G HN 1.067 nan 8.290 nan 0.000 0.527 287 I N 0.393 120.934 120.570 -0.048 0.000 2.628 287 I HA 0.347 4.516 4.170 -0.001 0.000 0.255 287 I C 1.410 177.525 176.117 -0.003 0.000 1.119 287 I CA 1.494 62.784 61.300 -0.016 0.000 1.448 287 I CB -0.034 37.957 38.000 -0.015 0.000 1.133 287 I HN 0.506 nan 8.210 nan 0.000 0.438 288 M N 0.221 119.814 119.600 -0.013 0.000 2.682 288 M HA 0.513 4.992 4.480 -0.001 0.000 0.272 288 M C -3.097 173.214 176.300 0.019 0.000 1.232 288 M CA -1.607 53.703 55.300 0.016 0.000 0.849 288 M CB 2.237 34.857 32.600 0.033 0.000 1.695 288 M HN -0.360 nan 8.290 nan 0.000 0.481 289 P HA 0.536 nan 4.420 nan 0.000 0.286 289 P C -1.375 175.989 177.300 0.107 0.000 1.269 289 P CA -0.066 63.077 63.100 0.070 0.000 0.787 289 P CB 1.609 33.354 31.700 0.075 0.000 0.920 290 I N 1.405 122.021 120.570 0.078 0.000 2.743 290 I HA 0.615 4.785 4.170 -0.001 0.000 0.292 290 I C -1.177 175.004 176.117 0.107 0.000 1.343 290 I CA -0.523 60.831 61.300 0.091 0.000 1.038 290 I CB 2.184 40.173 38.000 -0.017 0.000 1.311 290 I HN 0.491 nan 8.210 nan 0.000 0.426 291 G N 4.829 113.715 108.800 0.144 0.000 2.498 291 G HA2 0.883 4.842 3.960 -0.001 0.000 0.312 291 G HA3 0.883 4.842 3.960 -0.001 0.000 0.312 291 G C -1.677 173.341 174.900 0.197 0.000 1.230 291 G CA -0.509 44.682 45.100 0.152 0.000 0.968 291 G HN 0.926 nan 8.290 nan 0.000 0.481 292 A N 0.182 123.100 122.820 0.162 0.000 2.486 292 A HA 0.817 5.137 4.320 -0.001 0.000 0.300 292 A C -0.553 177.098 177.584 0.111 0.000 1.048 292 A CA -0.594 51.496 52.037 0.088 0.000 0.696 292 A CB 1.866 20.923 19.000 0.095 0.000 1.278 292 A HN 0.713 nan 8.150 nan 0.000 0.405 293 T N 2.877 117.508 114.554 0.127 0.000 2.892 293 T HA 0.485 4.834 4.350 -0.001 0.000 0.311 293 T C -0.388 174.450 174.700 0.229 0.000 1.033 293 T CA 0.067 62.312 62.100 0.241 0.000 0.991 293 T CB 0.042 69.144 68.868 0.389 0.000 0.981 293 T HN 0.460 nan 8.240 nan 0.000 0.457 294 I N 5.114 125.761 120.570 0.128 0.000 2.353 294 I HA 0.655 4.824 4.170 -0.001 0.000 0.293 294 I C -0.449 175.723 176.117 0.092 0.000 0.992 294 I CA -0.825 60.464 61.300 -0.019 0.000 1.268 294 I CB 0.746 38.726 38.000 -0.033 0.000 1.387 294 I HN 0.594 nan 8.210 nan 0.000 0.478 295 F N 2.557 122.513 119.950 0.010 0.000 2.668 295 F HA 0.602 5.128 4.527 -0.001 0.000 0.309 295 F C -0.492 175.329 175.800 0.035 0.000 1.117 295 F CA -1.518 56.482 58.000 -0.000 0.000 0.951 295 F CB 0.802 39.772 39.000 -0.050 0.000 1.323 295 F HN 0.201 nan 8.300 nan 0.000 0.451 296 R N 2.057 122.696 120.500 0.231 0.000 2.537 296 R HA 0.004 4.344 4.340 -0.001 0.000 0.281 296 R C 1.450 177.851 176.300 0.168 0.000 0.988 296 R CA 0.247 56.417 56.100 0.116 0.000 1.077 296 R CB 0.528 30.747 30.300 -0.134 0.000 0.932 296 R HN 0.906 nan 8.270 nan 0.000 0.409 297 K N 2.605 123.058 120.400 0.089 0.000 2.113 297 K HA -0.230 4.089 4.320 -0.001 0.000 0.208 297 K C 0.647 177.315 176.600 0.112 0.000 1.047 297 K CA 2.325 58.665 56.287 0.088 0.000 0.928 297 K CB -0.007 32.524 32.500 0.052 0.000 0.716 297 K HN 0.696 nan 8.250 nan 0.000 0.446 298 D N -0.031 120.397 120.400 0.046 0.000 2.392 298 D HA -0.133 4.507 4.640 -0.001 0.000 0.228 298 D C 1.182 177.475 176.300 -0.013 0.000 1.003 298 D CA 0.666 54.669 54.000 0.006 0.000 0.917 298 D CB -0.049 40.727 40.800 -0.040 0.000 0.890 298 D HN 0.340 nan 8.370 nan 0.000 0.532 299 L N -0.754 120.486 121.223 0.028 0.000 2.766 299 L HA 0.232 4.572 4.340 -0.001 0.000 0.242 299 L C 0.598 177.303 176.870 -0.275 0.000 1.136 299 L CA -0.589 54.173 54.840 -0.129 0.000 0.933 299 L CB 0.007 41.963 42.059 -0.172 0.000 1.241 299 L HN -0.093 nan 8.230 nan 0.000 0.522 300 D N 0.449 120.866 120.400 0.028 0.000 2.419 300 D HA -0.011 4.629 4.640 -0.001 0.000 0.236 300 D C 0.397 176.617 176.300 -0.134 0.000 1.165 300 D CA 0.321 54.375 54.000 0.090 0.000 0.882 300 D CB 0.606 41.591 40.800 0.308 0.000 1.201 300 D HN -0.152 nan 8.370 nan 0.000 0.443 301 F N 1.253 121.180 119.950 -0.037 0.000 2.188 301 F HA 0.279 4.806 4.527 -0.001 0.000 0.279 301 F C 1.418 177.210 175.800 -0.013 0.000 1.210 301 F CA 0.091 58.050 58.000 -0.068 0.000 1.200 301 F CB 0.162 39.106 39.000 -0.093 0.000 1.552 301 F HN 0.064 nan 8.300 nan 0.000 0.507 310 F N 0.750 120.645 119.950 -0.093 0.000 3.282 310 F HA 0.670 5.197 4.527 -0.000 0.000 0.398 310 F C -0.106 175.390 175.800 -0.507 0.000 1.205 310 F CA 0.546 58.495 58.000 -0.085 0.000 1.273 310 F CB 0.841 39.883 39.000 0.069 0.000 2.153 310 F HN 1.295 nan 8.300 nan 0.000 0.680 311 G N 0.762 108.910 108.800 -1.088 0.000 2.606 311 G HA2 0.576 4.536 3.960 -0.001 0.000 0.300 311 G HA3 0.576 4.536 3.960 -0.001 0.000 0.300 311 G C -1.461 172.705 174.900 -1.223 0.000 1.360 311 G CA -0.433 43.678 45.100 -1.648 0.000 0.783 311 G HN 0.757 nan 8.290 nan 0.000 0.484 312 G N -0.363 107.997 108.800 -0.734 0.000 2.702 312 G HA2 0.451 4.410 3.960 -0.001 0.000 0.295 312 G HA3 0.451 4.410 3.960 -0.001 0.000 0.295 312 G C -0.013 174.827 174.900 -0.100 0.000 1.446 312 G CA -0.531 44.451 45.100 -0.197 0.000 0.983 312 G HN 0.845 nan 8.290 nan 0.000 0.520 313 N N 1.584 120.250 118.700 -0.056 0.000 2.581 313 N HA 0.143 4.882 4.740 -0.001 0.000 0.230 313 N C 1.589 177.025 175.510 -0.124 0.000 1.310 313 N CA 0.423 53.516 53.050 0.072 0.000 0.886 313 N CB 0.665 39.167 38.487 0.024 0.000 1.205 313 N HN 0.425 nan 8.380 nan 0.000 0.488 314 A N 0.438 123.208 122.820 -0.083 0.000 1.883 314 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 314 A C 2.001 179.501 177.584 -0.140 0.000 1.186 314 A CA 1.278 53.254 52.037 -0.103 0.000 0.624 314 A CB -0.695 18.282 19.000 -0.038 0.000 0.822 314 A HN 0.414 nan 8.150 nan 0.000 0.444 315 L N -0.233 120.918 121.223 -0.120 0.000 2.012 315 L HA -0.094 4.246 4.340 -0.001 0.000 0.210 315 L C 2.657 179.384 176.870 -0.238 0.000 1.073 315 L CA 2.450 57.212 54.840 -0.130 0.000 0.748 315 L CB -0.920 41.102 42.059 -0.061 0.000 0.891 315 L HN 0.342 nan 8.230 nan 0.000 0.431 316 A N -1.511 121.025 122.820 -0.474 0.000 1.930 316 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 316 A C 2.366 179.713 177.584 -0.395 0.000 1.175 316 A CA 1.756 53.450 52.037 -0.572 0.000 0.627 316 A CB -1.427 16.848 19.000 -1.207 0.000 0.815 316 A HN 0.641 nan 8.150 nan 0.000 0.443 317 C N -1.162 117.895 119.300 -0.405 0.000 2.457 317 C HA 0.158 4.617 4.460 -0.001 0.000 0.278 317 C C 3.296 178.169 174.990 -0.196 0.000 1.309 317 C CA 0.533 59.344 59.018 -0.344 0.000 1.735 317 C CB -1.220 26.274 27.740 -0.409 0.000 1.992 317 C HN 0.702 nan 8.230 nan 0.000 0.493 318 A N 0.553 123.276 122.820 -0.161 0.000 1.902 318 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 318 A C 2.014 179.545 177.584 -0.089 0.000 1.181 318 A CA 1.561 53.539 52.037 -0.100 0.000 0.623 318 A CB -0.563 18.389 19.000 -0.080 0.000 0.818 318 A HN 0.593 nan 8.150 nan 0.000 0.443 319 I N -0.503 120.001 120.570 -0.110 0.000 2.202 319 I HA -0.182 3.988 4.170 -0.001 0.000 0.242 319 I C 2.717 178.784 176.117 -0.084 0.000 1.091 319 I CA 1.112 62.357 61.300 -0.090 0.000 1.368 319 I CB -0.623 37.317 38.000 -0.099 0.000 1.058 319 I HN 0.407 nan 8.210 nan 0.000 0.410 320 G N -0.412 108.327 108.800 -0.100 0.000 2.422 320 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.218 320 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.218 320 G C 1.771 176.651 174.900 -0.035 0.000 1.146 320 G CA 1.077 46.138 45.100 -0.065 0.000 0.769 320 G HN 0.381 nan 8.290 nan 0.000 0.547 321 S N 0.243 115.920 115.700 -0.037 0.000 2.370 321 S HA -0.153 4.317 4.470 -0.001 0.000 0.226 321 S C 2.342 176.934 174.600 -0.014 0.000 1.033 321 S CA 2.159 60.355 58.200 -0.007 0.000 1.011 321 S CB -0.250 62.942 63.200 -0.014 0.000 0.852 321 S HN 0.332 nan 8.310 nan 0.000 0.457 322 K N 1.041 121.417 120.400 -0.041 0.000 2.097 322 K HA 0.074 4.393 4.320 -0.001 0.000 0.205 322 K C 1.832 178.381 176.600 -0.085 0.000 1.050 322 K CA 1.508 57.759 56.287 -0.060 0.000 0.938 322 K CB -0.903 31.557 32.500 -0.068 0.000 0.718 322 K HN 0.267 nan 8.250 nan 0.000 0.442 323 V N 1.316 121.184 119.914 -0.077 0.000 2.287 323 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 323 V C 2.263 178.310 176.094 -0.079 0.000 1.053 323 V CA 1.671 63.919 62.300 -0.087 0.000 1.027 323 V CB -0.467 31.314 31.823 -0.070 0.000 0.646 323 V HN 0.293 nan 8.190 nan 0.000 0.447 324 I N 0.287 120.831 120.570 -0.044 0.000 2.208 324 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 324 I C 2.291 178.373 176.117 -0.057 0.000 1.097 324 I CA 1.785 63.066 61.300 -0.031 0.000 1.363 324 I CB -1.315 36.719 38.000 0.058 0.000 1.051 324 I HN 0.377 nan 8.210 nan 0.000 0.413 325 D N 0.688 121.061 120.400 -0.045 0.000 2.117 325 D HA -0.102 4.537 4.640 -0.001 0.000 0.198 325 D C 2.373 178.618 176.300 -0.093 0.000 0.982 325 D CA 1.050 55.014 54.000 -0.060 0.000 0.828 325 D CB -0.106 40.672 40.800 -0.037 0.000 0.967 325 D HN 0.327 nan 8.370 nan 0.000 0.464 326 I N 0.461 120.957 120.570 -0.123 0.000 2.252 326 I HA -0.209 3.960 4.170 -0.001 0.000 0.245 326 I C 2.409 178.465 176.117 -0.103 0.000 1.102 326 I CA 0.525 61.733 61.300 -0.153 0.000 1.385 326 I CB -0.129 37.705 38.000 -0.276 0.000 1.064 326 I HN -0.118 nan 8.210 nan 0.000 0.414 327 V N 1.046 120.901 119.914 -0.098 0.000 2.295 327 V HA -0.305 3.815 4.120 -0.001 0.000 0.246 327 V C 2.439 178.484 176.094 -0.081 0.000 1.049 327 V CA 1.903 64.155 62.300 -0.081 0.000 1.024 327 V CB -0.679 31.084 31.823 -0.099 0.000 0.648 327 V HN 0.384 nan 8.190 nan 0.000 0.447 328 K N -0.132 120.202 120.400 -0.110 0.000 2.063 328 K HA -0.264 4.055 4.320 -0.001 0.000 0.208 328 K C 1.951 178.503 176.600 -0.080 0.000 1.048 328 K CA 2.011 58.223 56.287 -0.126 0.000 0.928 328 K CB -0.335 32.043 32.500 -0.203 0.000 0.713 328 K HN 0.530 nan 8.250 nan 0.000 0.442 329 D N 0.625 120.985 120.400 -0.067 0.000 2.178 329 D HA -0.105 4.534 4.640 -0.001 0.000 0.202 329 D C 1.531 177.824 176.300 -0.011 0.000 0.974 329 D CA 0.786 54.763 54.000 -0.039 0.000 0.841 329 D CB 0.136 40.911 40.800 -0.040 0.000 0.953 329 D HN 0.089 nan 8.370 nan 0.000 0.478 330 L N -0.028 121.192 121.223 -0.006 0.000 2.509 330 L HA 0.075 4.415 4.340 -0.001 0.000 0.222 330 L C 2.133 179.047 176.870 0.074 0.000 1.123 330 L CA -0.080 54.787 54.840 0.045 0.000 0.856 330 L CB -0.096 41.990 42.059 0.046 0.000 0.985 330 L HN 0.178 nan 8.230 nan 0.000 0.456 331 L N 0.328 121.565 121.223 0.023 0.000 2.013 331 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 331 L C -0.109 176.784 176.870 0.038 0.000 1.073 331 L CA 1.790 56.640 54.840 0.017 0.000 0.753 331 L CB -1.983 40.069 42.059 -0.012 0.000 0.890 331 L HN 0.248 nan 8.230 nan 0.000 0.432 332 P HA -0.195 nan 4.420 nan 0.000 0.215 332 P C 1.421 178.769 177.300 0.079 0.000 1.153 332 P CA 1.528 64.660 63.100 0.052 0.000 0.853 332 P CB -0.029 31.701 31.700 0.051 0.000 0.788 333 H N -0.537 118.544 119.070 0.017 0.000 2.321 333 H HA -0.100 4.456 4.556 -0.001 0.000 0.300 333 H C 1.658 177.007 175.328 0.034 0.000 1.087 333 H CA 1.526 57.591 56.048 0.028 0.000 1.319 333 H CB -0.860 28.920 29.762 0.029 0.000 1.379 333 H HN -0.207 nan 8.280 nan 0.000 0.501 334 V N 1.161 121.073 119.914 -0.003 0.000 2.287 334 V HA -0.310 3.809 4.120 -0.001 0.000 0.248 334 V C 2.149 178.210 176.094 -0.056 0.000 1.053 334 V CA 2.154 64.419 62.300 -0.059 0.000 1.027 334 V CB -0.497 31.329 31.823 0.006 0.000 0.646 334 V HN 0.603 nan 8.190 nan 0.000 0.447 335 N N -0.462 118.228 118.700 -0.016 0.000 2.244 335 N HA -0.133 4.606 4.740 -0.001 0.000 0.183 335 N C 1.865 177.380 175.510 0.009 0.000 1.016 335 N CA 0.970 54.026 53.050 0.010 0.000 0.866 335 N CB -0.150 38.346 38.487 0.014 0.000 0.980 335 N HN 0.496 nan 8.380 nan 0.000 0.430 336 E N 1.126 121.308 120.200 -0.029 0.000 2.028 336 E HA -0.047 4.302 4.350 -0.001 0.000 0.191 336 E C 2.071 178.647 176.600 -0.041 0.000 0.988 336 E CA 0.473 56.856 56.400 -0.029 0.000 0.799 336 E CB -0.141 29.540 29.700 -0.032 0.000 0.755 336 E HN 0.256 nan 8.360 nan 0.000 0.447 337 I N 0.716 121.209 120.570 -0.128 0.000 2.361 337 I HA -0.138 4.031 4.170 -0.001 0.000 0.251 337 I C 2.382 178.573 176.117 0.122 0.000 1.133 337 I CA 1.160 62.429 61.300 -0.052 0.000 1.413 337 I CB -1.695 36.209 38.000 -0.160 0.000 1.073 337 I HN 0.066 nan 8.210 nan 0.000 0.424 338 G N 1.232 110.094 108.800 0.103 0.000 2.442 338 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.219 338 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.219 338 G C 1.787 176.829 174.900 0.237 0.000 1.141 338 G CA 0.468 45.713 45.100 0.243 0.000 0.763 338 G HN 0.368 nan 8.290 nan 0.000 0.554 339 K N -0.156 120.322 120.400 0.130 0.000 2.147 339 K HA 0.052 4.371 4.320 -0.001 0.000 0.205 339 K C 2.345 178.943 176.600 -0.003 0.000 1.049 339 K CA 0.719 57.052 56.287 0.077 0.000 0.936 339 K CB -0.174 32.353 32.500 0.044 0.000 0.722 339 K HN 0.362 nan 8.250 nan 0.000 0.446 340 I N -0.024 120.537 120.570 -0.015 0.000 2.202 340 I HA -0.244 3.925 4.170 -0.001 0.000 0.242 340 I C 1.845 177.793 176.117 -0.282 0.000 1.091 340 I CA 1.293 62.514 61.300 -0.133 0.000 1.368 340 I CB -0.248 37.663 38.000 -0.148 0.000 1.058 340 I HN 0.013 nan 8.210 nan 0.000 0.410 341 F N 1.043 120.769 119.950 -0.373 0.000 2.171 341 F HA -0.193 4.333 4.527 -0.001 0.000 0.300 341 F C 2.612 177.835 175.800 -0.962 0.000 1.090 341 F CA 1.376 58.954 58.000 -0.705 0.000 1.293 341 F CB -0.796 37.579 39.000 -1.042 0.000 1.013 341 F HN -0.000 nan 8.300 nan 0.000 0.486 342 A N -0.284 122.162 122.820 -0.623 0.000 1.877 342 A HA -0.248 4.071 4.320 -0.001 0.000 0.216 342 A C 2.087 179.531 177.584 -0.233 0.000 1.186 342 A CA 2.041 53.811 52.037 -0.444 0.000 0.620 342 A CB -0.774 18.287 19.000 0.102 0.000 0.822 342 A HN 0.343 nan 8.150 nan 0.000 0.443 343 E N 0.081 120.178 120.200 -0.172 0.000 2.028 343 E HA -0.153 4.197 4.350 -0.001 0.000 0.191 343 E C 1.875 178.382 176.600 -0.155 0.000 0.988 343 E CA 1.564 57.890 56.400 -0.124 0.000 0.799 343 E CB -0.204 29.439 29.700 -0.096 0.000 0.755 343 E HN 0.510 nan 8.360 nan 0.000 0.447 344 E N 0.100 120.168 120.200 -0.219 0.000 2.204 344 E HA -0.083 4.267 4.350 -0.001 0.000 0.194 344 E C 2.073 178.559 176.600 -0.190 0.000 0.989 344 E CA 0.592 56.866 56.400 -0.211 0.000 0.824 344 E CB -0.076 29.456 29.700 -0.280 0.000 0.756 344 E HN 0.391 nan 8.360 nan 0.000 0.477 345 L N 0.773 121.855 121.223 -0.236 0.000 2.509 345 L HA 0.007 4.346 4.340 -0.001 0.000 0.222 345 L C 0.700 177.516 176.870 -0.090 0.000 1.123 345 L CA 0.002 54.747 54.840 -0.159 0.000 0.856 345 L CB -0.030 41.902 42.059 -0.212 0.000 0.985 345 L HN -0.087 nan 8.230 nan 0.000 0.456 346 Q N 0.808 120.553 119.800 -0.092 0.000 2.304 346 Q HA 0.040 4.380 4.340 -0.001 0.000 0.301 346 Q C 1.285 177.263 176.000 -0.037 0.000 1.063 346 Q CA 1.167 56.940 55.803 -0.050 0.000 0.947 346 Q CB 0.240 28.952 28.738 -0.044 0.000 1.201 346 Q HN 0.437 nan 8.270 nan 0.000 0.389 347 G N 2.481 111.263 108.800 -0.031 0.000 2.175 347 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.265 347 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.265 347 G C 0.558 175.457 174.900 -0.002 0.000 0.979 347 G CA 0.560 45.649 45.100 -0.018 0.000 0.663 347 G HN 0.567 nan 8.290 nan 0.000 0.533 348 L N -0.427 120.795 121.223 -0.002 0.000 2.591 348 L HA 0.571 4.910 4.340 -0.001 0.000 0.228 348 L C 1.349 178.267 176.870 0.079 0.000 1.133 348 L CA 0.790 55.660 54.840 0.049 0.000 0.880 348 L CB -0.195 41.895 42.059 0.052 0.000 1.033 348 L HN 0.620 nan 8.230 nan 0.000 0.450 349 A N -1.221 121.550 122.820 -0.082 0.000 2.602 349 A HA 0.334 4.654 4.320 -0.001 0.000 0.290 349 A C -0.218 177.199 177.584 -0.279 0.000 1.114 349 A CA -0.559 51.248 52.037 -0.383 0.000 0.683 349 A CB 0.814 19.336 19.000 -0.796 0.000 1.281 349 A HN -0.032 nan 8.150 nan 0.000 0.416 350 D N -0.066 120.134 120.400 -0.333 0.000 2.264 350 D HA -0.002 4.637 4.640 -0.001 0.000 0.208 350 D C -0.469 175.684 176.300 -0.244 0.000 0.966 350 D CA 1.876 55.796 54.000 -0.134 0.000 0.864 350 D CB 0.319 41.131 40.800 0.020 0.000 0.933 350 D HN 0.523 nan 8.370 nan 0.000 0.499 351 D N -0.531 119.592 120.400 -0.462 0.000 2.890 351 D HA 0.209 4.848 4.640 -0.001 0.000 0.233 351 D C -1.484 174.619 176.300 -0.328 0.000 1.306 351 D CA -0.489 53.197 54.000 -0.524 0.000 0.929 351 D CB 1.973 42.088 40.800 -1.143 0.000 1.512 351 D HN -0.361 nan 8.370 nan 0.000 0.568 352 V N 4.949 124.748 119.914 -0.192 0.000 2.378 352 V HA 0.624 4.744 4.120 -0.001 0.000 0.288 352 V C -0.202 175.912 176.094 0.034 0.000 1.016 352 V CA -0.669 61.612 62.300 -0.032 0.000 0.840 352 V CB 1.258 33.089 31.823 0.012 0.000 0.994 352 V HN 0.577 nan 8.190 nan 0.000 0.431 353 R N 3.266 123.833 120.500 0.112 0.000 2.673 353 R HA 0.946 5.285 4.340 -0.001 0.000 0.281 353 R C -0.325 175.887 176.300 -0.147 0.000 0.991 353 R CA -0.822 55.301 56.100 0.038 0.000 0.896 353 R CB 2.600 32.943 30.300 0.072 0.000 1.201 353 R HN 0.841 nan 8.270 nan 0.000 0.457 354 G N 1.391 109.813 108.800 -0.630 0.000 2.466 354 G HA2 0.504 4.464 3.960 -0.001 0.000 0.291 354 G HA3 0.504 4.464 3.960 -0.001 0.000 0.291 354 G C -1.966 172.190 174.900 -1.240 0.000 1.460 354 G CA -0.805 43.374 45.100 -1.534 0.000 0.791 354 G HN 0.683 nan 8.290 nan 0.000 0.505 355 I N 0.201 120.157 120.570 -1.023 0.000 2.710 355 I HA 0.555 4.724 4.170 -0.001 0.000 0.290 355 I C 0.782 176.726 176.117 -0.288 0.000 1.318 355 I CA 0.903 61.936 61.300 -0.445 0.000 1.045 355 I CB 1.628 39.479 38.000 -0.248 0.000 1.307 355 I HN 2.190 nan 8.210 nan 0.000 0.424 356 G N 6.055 114.817 108.800 -0.063 0.000 2.591 356 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.298 356 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.298 356 G C 0.129 175.090 174.900 0.102 0.000 1.195 356 G CA 0.508 45.616 45.100 0.013 0.000 0.989 356 G HN 0.700 nan 8.290 nan 0.000 0.551 357 L N 1.708 122.929 121.223 -0.004 0.000 3.062 357 L HA 0.592 4.931 4.340 -0.001 0.000 0.255 357 L C 1.081 177.919 176.870 -0.054 0.000 1.274 357 L CA 0.379 55.193 54.840 -0.044 0.000 1.047 357 L CB 0.245 42.194 42.059 -0.184 0.000 1.402 357 L HN 0.759 nan 8.230 nan 0.000 0.550 358 A N -0.099 122.628 122.820 -0.156 0.000 2.316 358 A HA 0.566 4.886 4.320 -0.001 0.000 0.324 358 A C -1.575 175.771 177.584 -0.397 0.000 1.375 358 A CA -0.229 51.766 52.037 -0.070 0.000 0.882 358 A CB 0.037 19.064 19.000 0.045 0.000 1.152 358 A HN 0.335 nan 8.150 nan 0.000 0.512 359 W N 1.196 122.447 121.300 -0.082 0.000 2.736 359 W HA 0.628 5.287 4.660 -0.001 0.000 0.335 359 W C 0.373 176.824 176.519 -0.113 0.000 1.059 359 W CA -0.316 56.996 57.345 -0.055 0.000 1.226 359 W CB 2.531 31.949 29.460 -0.070 0.000 1.416 359 W HN 0.881 nan 8.180 nan 0.000 0.505 360 G N 2.312 111.225 108.800 0.188 0.000 2.617 360 G HA2 0.775 4.735 3.960 -0.001 0.000 0.306 360 G HA3 0.775 4.735 3.960 -0.001 0.000 0.306 360 G C -2.016 172.941 174.900 0.095 0.000 1.360 360 G CA -0.892 44.276 45.100 0.114 0.000 0.983 360 G HN 0.422 nan 8.290 nan 0.000 0.496 361 L N 1.617 122.865 121.223 0.042 0.000 2.342 361 L HA 0.497 4.836 4.340 -0.001 0.000 0.276 361 L C -0.154 176.597 176.870 -0.198 0.000 0.997 361 L CA -0.624 54.165 54.840 -0.085 0.000 0.838 361 L CB 2.186 44.262 42.059 0.028 0.000 1.224 361 L HN 0.571 nan 8.230 nan 0.000 0.416 362 E N 2.510 122.487 120.200 -0.371 0.000 2.179 362 E HA 0.458 4.808 4.350 -0.001 0.000 0.275 362 E C -1.707 174.595 176.600 -0.496 0.000 0.945 362 E CA -0.607 55.620 56.400 -0.289 0.000 0.792 362 E CB 1.405 30.981 29.700 -0.207 0.000 1.125 362 E HN 0.357 nan 8.360 nan 0.000 0.397 363 Y N 2.811 123.137 120.300 0.043 0.000 2.393 363 Y HA 0.247 4.797 4.550 -0.001 0.000 0.341 363 Y C 1.035 176.997 175.900 0.104 0.000 0.988 363 Y CA -0.887 57.252 58.100 0.064 0.000 1.078 363 Y CB 1.515 40.003 38.460 0.047 0.000 1.203 363 Y HN 0.559 nan 8.280 nan 0.000 0.453 364 N N 1.007 119.852 118.700 0.240 0.000 2.381 364 N HA -0.121 4.618 4.740 -0.001 0.000 0.182 364 N C -0.036 175.569 175.510 0.159 0.000 1.025 364 N CA 0.792 53.960 53.050 0.196 0.000 0.888 364 N CB 0.174 38.761 38.487 0.167 0.000 0.965 364 N HN 0.631 nan 8.380 nan 0.000 0.438 365 E N 1.025 121.330 120.200 0.176 0.000 2.055 365 E HA 0.103 4.452 4.350 -0.001 0.000 0.274 365 E C 0.791 177.454 176.600 0.104 0.000 0.949 365 E CA -0.231 56.238 56.400 0.115 0.000 0.775 365 E CB 1.095 30.849 29.700 0.091 0.000 1.097 365 E HN -0.009 nan 8.360 nan 0.000 0.404 366 K N 4.117 124.564 120.400 0.078 0.000 2.057 366 K HA -0.191 4.129 4.320 -0.001 0.000 0.207 366 K C 1.546 178.155 176.600 0.015 0.000 1.049 366 K CA 1.413 57.734 56.287 0.057 0.000 0.931 366 K CB 0.123 32.648 32.500 0.043 0.000 0.714 366 K HN 0.296 nan 8.250 nan 0.000 0.440 367 K N 0.558 120.960 120.400 0.004 0.000 2.103 367 K HA -0.115 4.205 4.320 -0.001 0.000 0.207 367 K C 1.983 178.556 176.600 -0.046 0.000 1.048 367 K CA 1.453 57.730 56.287 -0.018 0.000 0.930 367 K CB -1.053 31.441 32.500 -0.010 0.000 0.716 367 K HN 0.102 nan 8.250 nan 0.000 0.444 368 V N 2.207 122.087 119.914 -0.057 0.000 2.358 368 V HA -0.156 3.963 4.120 -0.001 0.000 0.246 368 V C 2.889 178.829 176.094 -0.258 0.000 1.047 368 V CA 1.700 63.917 62.300 -0.138 0.000 1.035 368 V CB -0.557 31.186 31.823 -0.133 0.000 0.658 368 V HN 0.356 nan 8.190 nan 0.000 0.452 369 R N 0.583 120.956 120.500 -0.211 0.000 2.083 369 R HA -0.184 4.155 4.340 -0.001 0.000 0.237 369 R C 1.959 178.191 176.300 -0.113 0.000 1.137 369 R CA 2.215 58.198 56.100 -0.195 0.000 0.951 369 R CB -0.889 29.437 30.300 0.043 0.000 0.851 369 R HN 0.511 nan 8.270 nan 0.000 0.434 370 D N 0.183 120.541 120.400 -0.070 0.000 2.117 370 D HA -0.147 4.493 4.640 -0.001 0.000 0.197 370 D C 2.167 178.432 176.300 -0.059 0.000 0.987 370 D CA 1.121 55.084 54.000 -0.062 0.000 0.829 370 D CB -0.180 40.583 40.800 -0.062 0.000 0.961 370 D HN 0.284 nan 8.370 nan 0.000 0.460 371 R N 0.203 120.664 120.500 -0.065 0.000 2.075 371 R HA 0.001 4.341 4.340 -0.001 0.000 0.232 371 R C 2.605 178.888 176.300 -0.029 0.000 1.126 371 R CA 0.609 56.687 56.100 -0.036 0.000 0.963 371 R CB -0.232 30.041 30.300 -0.045 0.000 0.858 371 R HN 0.223 nan 8.270 nan 0.000 0.435 372 I N 0.660 121.175 120.570 -0.091 0.000 2.208 372 I HA -0.309 3.861 4.170 -0.001 0.000 0.245 372 I C 2.253 178.372 176.117 0.003 0.000 1.097 372 I CA 1.463 62.717 61.300 -0.077 0.000 1.363 372 I CB -0.264 37.627 38.000 -0.183 0.000 1.051 372 I HN 0.156 nan 8.210 nan 0.000 0.413 373 I N 0.510 121.088 120.570 0.012 0.000 2.252 373 I HA -0.194 3.975 4.170 -0.001 0.000 0.245 373 I C 2.675 178.881 176.117 0.147 0.000 1.102 373 I CA 1.586 62.928 61.300 0.068 0.000 1.385 373 I CB -0.881 37.140 38.000 0.036 0.000 1.064 373 I HN 0.266 nan 8.210 nan 0.000 0.414 374 G N 0.400 109.278 108.800 0.129 0.000 2.421 374 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.216 374 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.216 374 G C 1.534 176.650 174.900 0.359 0.000 1.171 374 G CA 0.440 45.723 45.100 0.305 0.000 0.775 374 G HN 0.256 nan 8.290 nan 0.000 0.543 375 E N 1.049 121.361 120.200 0.187 0.000 2.150 375 E HA -0.048 4.302 4.350 -0.001 0.000 0.193 375 E C 2.894 179.559 176.600 0.109 0.000 0.985 375 E CA 0.833 57.308 56.400 0.125 0.000 0.814 375 E CB -0.408 29.327 29.700 0.057 0.000 0.752 375 E HN 0.330 nan 8.360 nan 0.000 0.466 376 S N 0.790 116.556 115.700 0.111 0.000 2.368 376 S HA -0.129 4.341 4.470 -0.001 0.000 0.225 376 S C 1.663 176.329 174.600 0.109 0.000 1.030 376 S CA 0.846 59.087 58.200 0.069 0.000 0.999 376 S CB -0.384 62.849 63.200 0.056 0.000 0.844 376 S HN 0.292 nan 8.310 nan 0.000 0.459 377 F N 2.478 122.478 119.950 0.084 0.000 2.161 377 F HA -0.108 4.418 4.527 -0.001 0.000 0.300 377 F C 1.913 177.750 175.800 0.060 0.000 1.089 377 F CA 1.398 59.471 58.000 0.121 0.000 1.282 377 F CB -0.192 38.950 39.000 0.236 0.000 1.010 377 F HN 0.049 nan 8.300 nan 0.000 0.485 378 K N -0.438 120.070 120.400 0.179 0.000 2.362 378 K HA -0.074 4.246 4.320 -0.001 0.000 0.200 378 K C 1.515 178.064 176.600 -0.085 0.000 1.046 378 K CA 0.554 56.846 56.287 0.008 0.000 0.952 378 K CB -0.019 32.481 32.500 0.001 0.000 0.753 378 K HN 0.114 nan 8.250 nan 0.000 0.466 379 R N -0.480 119.973 120.500 -0.079 0.000 2.334 379 R HA 0.091 4.431 4.340 -0.001 0.000 0.216 379 R C 0.927 177.119 176.300 -0.180 0.000 0.905 379 R CA 0.542 56.574 56.100 -0.113 0.000 1.064 379 R CB 0.345 30.597 30.300 -0.081 0.000 1.046 379 R HN 0.384 nan 8.270 nan 0.000 0.508 380 G N 1.083 109.737 108.800 -0.242 0.000 2.131 380 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.223 380 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.223 380 G C -0.461 174.344 174.900 -0.158 0.000 0.990 380 G CA 0.034 44.938 45.100 -0.327 0.000 0.671 380 G HN 0.247 nan 8.290 nan 0.000 0.521 381 L N 1.067 122.210 121.223 -0.132 0.000 2.305 381 L HA 0.788 5.128 4.340 -0.001 0.000 0.284 381 L C 0.019 176.855 176.870 -0.057 0.000 1.013 381 L CA -1.089 53.649 54.840 -0.170 0.000 0.819 381 L CB 1.208 43.115 42.059 -0.253 0.000 1.227 381 L HN 0.108 nan 8.230 nan 0.000 0.417 382 L N 6.604 127.801 121.223 -0.044 0.000 2.265 382 L HA 0.510 4.850 4.340 -0.001 0.000 0.288 382 L C -0.647 176.289 176.870 0.110 0.000 1.058 382 L CA -0.244 54.630 54.840 0.055 0.000 0.809 382 L CB 0.899 42.959 42.059 0.001 0.000 1.179 382 L HN 0.565 nan 8.230 nan 0.000 0.429 383 L N 4.456 125.761 121.223 0.136 0.000 2.371 383 L HA 0.630 4.969 4.340 -0.001 0.000 0.262 383 L C -0.774 176.156 176.870 0.099 0.000 1.006 383 L CA -0.607 54.312 54.840 0.133 0.000 0.818 383 L CB 2.723 44.859 42.059 0.129 0.000 1.354 383 L HN 0.460 nan 8.230 nan 0.000 0.415 384 L N 2.926 124.191 121.223 0.070 0.000 2.354 384 L HA 0.625 4.965 4.340 -0.001 0.000 0.269 384 L C -2.331 174.554 176.870 0.026 0.000 1.005 384 L CA -1.700 53.163 54.840 0.038 0.000 0.819 384 L CB 2.587 44.663 42.059 0.029 0.000 1.311 384 L HN 0.311 nan 8.230 nan 0.000 0.423 385 P HA 0.452 nan 4.420 nan 0.000 0.276 385 P C -1.400 175.914 177.300 0.023 0.000 1.261 385 P CA -0.334 62.781 63.100 0.024 0.000 0.800 385 P CB 1.953 33.656 31.700 0.005 0.000 1.066 386 A N -0.523 122.323 122.820 0.043 0.000 2.604 386 A HA 0.688 5.008 4.320 -0.001 0.000 0.295 386 A C 0.117 177.735 177.584 0.057 0.000 1.067 386 A CA -0.072 51.997 52.037 0.054 0.000 0.683 386 A CB 0.811 19.880 19.000 0.114 0.000 1.281 386 A HN 0.875 nan 8.150 nan 0.000 0.407 387 G N 0.852 109.675 108.800 0.039 0.000 2.574 387 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.282 387 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.282 387 G C 0.994 175.915 174.900 0.036 0.000 1.257 387 G CA 1.101 46.224 45.100 0.038 0.000 0.956 387 G HN 1.367 nan 8.290 nan 0.000 0.560 388 R N 0.328 120.857 120.500 0.049 0.000 2.090 388 R HA 0.229 4.568 4.340 -0.001 0.000 0.219 388 R C 1.725 178.063 176.300 0.063 0.000 1.100 388 R CA 1.866 57.994 56.100 0.047 0.000 0.991 388 R CB -0.149 30.180 30.300 0.048 0.000 0.893 388 R HN 1.112 nan 8.270 nan 0.000 0.443 389 S N -1.095 114.661 115.700 0.094 0.000 2.701 389 S HA 0.541 5.011 4.470 -0.001 0.000 0.228 389 S C -0.555 174.152 174.600 0.179 0.000 0.948 389 S CA -0.635 57.642 58.200 0.128 0.000 1.129 389 S CB 1.138 64.425 63.200 0.145 0.000 1.352 389 S HN 0.320 nan 8.310 nan 0.000 0.446 390 A N 1.267 124.173 122.820 0.142 0.000 2.387 390 A HA 0.959 5.278 4.320 -0.001 0.000 0.298 390 A C -0.800 176.871 177.584 0.146 0.000 1.165 390 A CA -0.981 51.144 52.037 0.147 0.000 0.814 390 A CB 1.034 20.090 19.000 0.094 0.000 1.357 390 A HN 0.573 nan 8.150 nan 0.000 0.443 391 I N 0.688 121.346 120.570 0.147 0.000 2.545 391 I HA 0.404 4.573 4.170 -0.001 0.000 0.292 391 I C 0.029 176.164 176.117 0.030 0.000 1.040 391 I CA -0.677 60.690 61.300 0.112 0.000 1.068 391 I CB 2.110 40.218 38.000 0.179 0.000 1.251 391 I HN 0.862 nan 8.210 nan 0.000 0.424 392 R N 5.216 125.678 120.500 -0.064 0.000 2.368 392 R HA 0.690 5.029 4.340 -0.001 0.000 0.302 392 R C -1.569 174.625 176.300 -0.177 0.000 1.002 392 R CA -0.601 55.314 56.100 -0.308 0.000 0.929 392 R CB 1.572 31.529 30.300 -0.572 0.000 1.073 392 R HN 0.345 nan 8.270 nan 0.000 0.464 393 V N 6.090 125.901 119.914 -0.172 0.000 2.304 393 V HA 0.285 4.405 4.120 -0.001 0.000 0.278 393 V C -0.009 175.960 176.094 -0.208 0.000 1.018 393 V CA -0.625 61.649 62.300 -0.043 0.000 0.814 393 V CB 0.724 32.623 31.823 0.126 0.000 1.021 393 V HN 0.801 nan 8.190 nan 0.000 0.440 394 I N 3.371 123.804 120.570 -0.229 0.000 2.796 394 I HA 0.506 4.676 4.170 -0.001 0.000 0.279 394 I C -2.714 173.265 176.117 -0.230 0.000 1.289 394 I CA -1.920 59.236 61.300 -0.239 0.000 1.021 394 I CB 1.896 39.808 38.000 -0.147 0.000 1.414 394 I HN 0.310 nan 8.210 nan 0.000 0.562 395 P HA 0.349 nan 4.420 nan 0.000 0.274 395 P C -2.583 174.629 177.300 -0.147 0.000 1.237 395 P CA -1.464 61.429 63.100 -0.346 0.000 0.793 395 P CB 0.241 31.545 31.700 -0.661 0.000 0.977 396 P HA 0.071 nan 4.420 nan 0.000 0.267 396 P C 1.179 178.486 177.300 0.011 0.000 1.200 396 P CA 0.300 63.410 63.100 0.017 0.000 0.772 396 P CB 0.196 31.947 31.700 0.085 0.000 0.855 397 L N 2.526 123.761 121.223 0.020 0.000 2.353 397 L HA -0.114 4.226 4.340 -0.001 0.000 0.220 397 L C 1.748 178.715 176.870 0.161 0.000 1.133 397 L CA 1.018 55.895 54.840 0.062 0.000 0.798 397 L CB -0.749 41.336 42.059 0.043 0.000 0.922 397 L HN 0.308 nan 8.230 nan 0.000 0.445 398 V N -3.023 116.965 119.914 0.123 0.000 3.623 398 V HA 0.137 4.256 4.120 -0.001 0.000 0.271 398 V C 1.144 177.331 176.094 0.155 0.000 1.248 398 V CA -0.348 62.019 62.300 0.112 0.000 1.156 398 V CB -0.602 31.270 31.823 0.081 0.000 0.870 398 V HN 0.200 nan 8.190 nan 0.000 0.453 399 I N 2.956 123.640 120.570 0.189 0.000 2.752 399 I HA 0.165 4.335 4.170 -0.001 0.000 0.287 399 I C 0.998 177.283 176.117 0.280 0.000 1.188 399 I CA 0.542 61.953 61.300 0.185 0.000 1.427 399 I CB 1.008 39.087 38.000 0.132 0.000 1.365 399 I HN 0.596 nan 8.210 nan 0.000 0.585 400 S N 4.627 120.455 115.700 0.212 0.000 2.672 400 S HA 0.185 4.655 4.470 -0.001 0.000 0.276 400 S C 0.868 175.574 174.600 0.177 0.000 1.207 400 S CA -0.487 57.845 58.200 0.219 0.000 1.002 400 S CB 1.595 64.892 63.200 0.162 0.000 0.998 400 S HN 0.813 nan 8.310 nan 0.000 0.542 401 E N 0.279 120.569 120.200 0.149 0.000 2.085 401 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 401 E C 1.814 178.455 176.600 0.069 0.000 0.994 401 E CA 1.234 57.684 56.400 0.084 0.000 0.801 401 E CB -0.120 29.617 29.700 0.062 0.000 0.743 401 E HN 0.774 nan 8.360 nan 0.000 0.453 402 E N 0.894 121.147 120.200 0.087 0.000 2.051 402 E HA -0.231 4.119 4.350 -0.001 0.000 0.192 402 E C 1.739 178.404 176.600 0.108 0.000 0.991 402 E CA 1.451 57.902 56.400 0.085 0.000 0.799 402 E CB 0.001 29.758 29.700 0.095 0.000 0.748 402 E HN 0.405 nan 8.360 nan 0.000 0.449 403 E N 0.134 120.420 120.200 0.143 0.000 2.106 403 E HA -0.107 4.242 4.350 -0.001 0.000 0.192 403 E C 2.042 178.729 176.600 0.145 0.000 0.984 403 E CA 0.858 57.348 56.400 0.149 0.000 0.806 403 E CB -0.114 29.665 29.700 0.131 0.000 0.750 403 E HN 0.306 nan 8.360 nan 0.000 0.458 404 A N 1.805 124.720 122.820 0.158 0.000 1.902 404 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 404 A C 1.956 179.568 177.584 0.046 0.000 1.181 404 A CA 1.444 53.588 52.037 0.179 0.000 0.623 404 A CB -0.256 18.800 19.000 0.094 0.000 0.818 404 A HN 0.034 nan 8.150 nan 0.000 0.443 405 K N -0.572 119.818 120.400 -0.018 0.000 2.148 405 K HA -0.128 4.191 4.320 -0.001 0.000 0.204 405 K C 2.309 178.889 176.600 -0.033 0.000 1.050 405 K CA 1.324 57.574 56.287 -0.062 0.000 0.942 405 K CB -0.162 32.308 32.500 -0.051 0.000 0.724 405 K HN 0.585 nan 8.250 nan 0.000 0.446 406 Q N -0.222 119.584 119.800 0.010 0.000 2.050 406 Q HA -0.137 4.202 4.340 -0.001 0.000 0.202 406 Q C 2.279 178.227 176.000 -0.087 0.000 0.980 406 Q CA 1.600 57.402 55.803 -0.001 0.000 0.840 406 Q CB -0.206 28.578 28.738 0.076 0.000 0.898 406 Q HN 0.477 nan 8.270 nan 0.000 0.424 407 G N 0.628 109.348 108.800 -0.135 0.000 2.402 407 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.216 407 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.216 407 G C 1.403 176.142 174.900 -0.268 0.000 1.162 407 G CA 0.353 45.178 45.100 -0.459 0.000 0.777 407 G HN 0.168 nan 8.290 nan 0.000 0.539 408 L N 0.484 121.678 121.223 -0.048 0.000 2.083 408 L HA -0.050 4.290 4.340 -0.001 0.000 0.209 408 L C 2.463 179.281 176.870 -0.088 0.000 1.083 408 L CA 0.997 55.797 54.840 -0.067 0.000 0.752 408 L CB -0.292 41.645 42.059 -0.203 0.000 0.899 408 L HN 0.093 nan 8.230 nan 0.000 0.433 409 D N 0.226 120.572 120.400 -0.090 0.000 2.117 409 D HA -0.151 4.488 4.640 -0.001 0.000 0.197 409 D C 2.290 178.547 176.300 -0.072 0.000 0.987 409 D CA 1.267 55.224 54.000 -0.073 0.000 0.829 409 D CB -0.024 40.740 40.800 -0.059 0.000 0.961 409 D HN 0.311 nan 8.370 nan 0.000 0.460 410 I N 0.370 120.881 120.570 -0.098 0.000 2.179 410 I HA -0.237 3.932 4.170 -0.001 0.000 0.242 410 I C 2.367 178.437 176.117 -0.079 0.000 1.088 410 I CA 0.480 61.721 61.300 -0.098 0.000 1.357 410 I CB -0.131 37.782 38.000 -0.146 0.000 1.051 410 I HN 0.013 nan 8.210 nan 0.000 0.409 411 L N 1.147 122.320 121.223 -0.084 0.000 2.012 411 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 411 L C 2.401 179.265 176.870 -0.010 0.000 1.073 411 L CA 1.936 56.758 54.840 -0.029 0.000 0.748 411 L CB -0.637 41.433 42.059 0.018 0.000 0.891 411 L HN 0.073 nan 8.230 nan 0.000 0.431 412 K N -0.523 119.864 120.400 -0.022 0.000 2.057 412 K HA -0.196 4.123 4.320 -0.001 0.000 0.207 412 K C 2.095 178.686 176.600 -0.015 0.000 1.049 412 K CA 1.845 58.122 56.287 -0.016 0.000 0.931 412 K CB -0.177 32.303 32.500 -0.033 0.000 0.714 412 K HN 0.338 nan 8.250 nan 0.000 0.440 413 K N 0.490 120.875 120.400 -0.026 0.000 2.057 413 K HA -0.102 4.217 4.320 -0.001 0.000 0.207 413 K C 2.087 178.676 176.600 -0.018 0.000 1.049 413 K CA 1.165 57.438 56.287 -0.023 0.000 0.931 413 K CB -0.094 32.387 32.500 -0.031 0.000 0.714 413 K HN -0.057 nan 8.250 nan 0.000 0.440 414 V N 1.822 121.724 119.914 -0.019 0.000 2.307 414 V HA -0.228 3.891 4.120 -0.001 0.000 0.245 414 V C 2.160 178.245 176.094 -0.015 0.000 1.045 414 V CA 1.586 63.877 62.300 -0.015 0.000 1.024 414 V CB -0.367 31.449 31.823 -0.013 0.000 0.651 414 V HN 0.275 nan 8.190 nan 0.000 0.449 415 I N -0.411 120.155 120.570 -0.007 0.000 2.286 415 I HA -0.259 3.910 4.170 -0.001 0.000 0.248 415 I C 2.490 178.610 176.117 0.005 0.000 1.115 415 I CA 1.561 62.861 61.300 0.000 0.000 1.392 415 I CB -0.411 37.618 38.000 0.049 0.000 1.065 415 I HN 0.284 nan 8.210 nan 0.000 0.418 416 K N 0.287 120.689 120.400 0.004 0.000 2.211 416 K HA -0.114 4.206 4.320 -0.001 0.000 0.203 416 K C 1.894 178.494 176.600 -0.001 0.000 1.050 416 K CA 1.548 57.837 56.287 0.004 0.000 0.945 416 K CB 0.010 32.509 32.500 -0.001 0.000 0.732 416 K HN 0.388 nan 8.250 nan 0.000 0.451 417 V N -2.638 117.273 119.914 -0.006 0.000 3.307 417 V HA 0.079 4.199 4.120 -0.001 0.000 0.253 417 V C 1.172 177.260 176.094 -0.009 0.000 1.149 417 V CA -0.137 62.158 62.300 -0.007 0.000 1.112 417 V CB -0.005 31.813 31.823 -0.008 0.000 0.777 417 V HN -0.178 nan 8.190 nan 0.000 0.464 418 V N 0.000 119.903 119.914 -0.018 0.000 2.409 418 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 418 V CA 0.000 62.282 62.300 -0.030 0.000 1.235 418 V CB 0.000 31.789 31.823 -0.057 0.000 1.184 418 V HN 0.000 nan 8.190 nan 0.000 0.556