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 2j0x_1_B DATA FIRST_RESID 2 DATA SEQUENCE SEIVVSKFGG TSVADFDAMN RSADIVLSDA NVRLVVLSAS AGITNLLVAL DATA SEQUENCE AEGLEPGERF EKLDAIRNIQ FAILERLRYP NVIREEIERL LENITVLAEA DATA SEQUENCE AALATSPALT DELVSHGELM STLLFVEILR ERDVQAQWFD VRKVMRTNDR DATA SEQUENCE FGRAEPDIAA LAELAALQLL PRLNEGLVIT QGFIGSENKG RTTTLGRGGS DATA SEQUENCE DYTAALLAEA LHASRVDIWT DVPGIYTTDP RVVSAAKRID EIAFAEAAEM DATA SEQUENCE ATFGAKVLHP ATLLPAVRSD IPVFVGSSKD PRAGGTLVCN KTENPPLFRA DATA SEQUENCE LALRRNQTLL TLHSLNMLHS RGFLAEVFGI LARHNISVDL ITTSEVSVAL DATA SEQUENCE TLDTTGSTXX XDTLLTQSLL MELSALCRVE VEEGLALVAL IGNDLSKACG DATA SEQUENCE VGKEVFGVLE PFNIRMICYG ASSHNLCFLV PGEDAEQVVQ KLHSNLFE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.601 174.600 0.002 0.000 1.055 2 S CA 0.000 58.200 58.200 0.001 0.000 1.107 2 S CB 0.000 63.206 63.200 0.011 0.000 0.593 3 E N 2.629 122.826 120.200 -0.006 0.000 2.705 3 E HA 0.157 4.507 4.350 0.000 0.000 0.272 3 E C -0.243 176.353 176.600 -0.007 0.000 1.528 3 E CA -0.132 56.264 56.400 -0.006 0.000 1.750 3 E CB -1.089 28.607 29.700 -0.008 0.000 1.439 3 E HN 0.695 nan 8.360 nan 0.000 0.449 4 I N 0.783 121.350 120.570 -0.006 0.000 2.336 4 I HA 0.230 4.400 4.170 0.000 0.000 0.292 4 I C -0.384 175.728 176.117 -0.008 0.000 0.991 4 I CA -1.110 60.185 61.300 -0.009 0.000 1.227 4 I CB 1.782 39.775 38.000 -0.012 0.000 1.366 4 I HN -0.110 nan 8.210 nan 0.000 0.466 5 V N 7.162 127.074 119.914 -0.005 0.000 2.495 5 V HA 0.408 4.528 4.120 0.000 0.000 0.298 5 V C -0.048 176.048 176.094 0.004 0.000 1.031 5 V CA -0.693 61.605 62.300 -0.003 0.000 0.871 5 V CB 2.289 34.112 31.823 0.001 0.000 0.988 5 V HN 0.398 nan 8.190 nan 0.000 0.432 6 V N 3.500 123.412 119.914 -0.003 0.000 2.472 6 V HA 0.581 4.701 4.120 0.000 0.000 0.290 6 V C 0.135 176.234 176.094 0.010 0.000 1.037 6 V CA -0.260 62.038 62.300 -0.003 0.000 0.908 6 V CB 1.754 33.562 31.823 -0.025 0.000 0.985 6 V HN 0.877 nan 8.190 nan 0.000 0.454 7 S N 3.245 118.959 115.700 0.024 0.000 2.500 7 S HA 0.728 5.198 4.470 0.000 0.000 0.301 7 S C -0.582 173.971 174.600 -0.079 0.000 1.092 7 S CA -0.848 57.357 58.200 0.008 0.000 1.030 7 S CB 1.781 65.037 63.200 0.093 0.000 1.031 7 S HN 0.887 nan 8.310 nan 0.000 0.483 8 K N 1.522 121.809 120.400 -0.188 0.000 2.371 8 K HA 0.731 5.051 4.320 0.000 0.000 0.251 8 K C -1.873 174.512 176.600 -0.358 0.000 0.934 8 K CA -0.400 55.785 56.287 -0.170 0.000 0.798 8 K CB 0.709 33.167 32.500 -0.069 0.000 1.204 8 K HN 0.357 nan 8.250 nan 0.000 0.427 9 F N 1.563 121.532 119.950 0.031 0.000 2.529 9 F HA 0.577 5.104 4.527 0.000 0.000 0.320 9 F C 0.817 176.606 175.800 -0.020 0.000 1.118 9 F CA -0.454 57.554 58.000 0.012 0.000 0.915 9 F CB 2.513 41.443 39.000 -0.116 0.000 1.161 9 F HN 0.789 nan 8.300 nan 0.000 0.445 10 G N 0.757 109.662 108.800 0.175 0.000 2.580 10 G HA2 0.397 4.357 3.960 0.000 0.000 0.278 10 G HA3 0.397 4.357 3.960 0.000 0.000 0.278 10 G C 1.073 176.014 174.900 0.068 0.000 1.212 10 G CA -0.223 44.925 45.100 0.081 0.000 0.939 10 G HN 0.907 nan 8.290 nan 0.000 0.513 11 G N -0.704 108.111 108.800 0.026 0.000 2.547 11 G HA2 -0.289 3.671 3.960 0.000 0.000 0.221 11 G HA3 -0.289 3.671 3.960 0.000 0.000 0.221 11 G C 1.708 176.626 174.900 0.029 0.000 1.140 11 G CA 1.933 47.045 45.100 0.020 0.000 0.760 11 G HN 0.608 nan 8.290 nan 0.000 0.583 12 T N 0.991 115.567 114.554 0.038 0.000 2.746 12 T HA -0.082 4.268 4.350 0.000 0.000 0.267 12 T C 2.779 177.501 174.700 0.037 0.000 1.039 12 T CA 1.478 63.602 62.100 0.039 0.000 1.142 12 T CB -0.275 68.621 68.868 0.046 0.000 0.866 12 T HN 0.293 nan 8.240 nan 0.000 0.444 13 S N 0.973 116.707 115.700 0.057 0.000 2.442 13 S HA -0.043 4.427 4.470 0.000 0.000 0.236 13 S C 1.699 176.244 174.600 -0.091 0.000 1.007 13 S CA 1.062 59.266 58.200 0.007 0.000 0.965 13 S CB -0.176 63.104 63.200 0.132 0.000 0.773 13 S HN 0.580 nan 8.310 nan 0.000 0.504 14 V N -2.280 117.607 119.914 -0.045 0.000 2.991 14 V HA 0.661 4.781 4.120 0.000 0.000 0.355 14 V C 1.311 177.414 176.094 0.016 0.000 1.384 14 V CA -0.018 62.257 62.300 -0.041 0.000 1.171 14 V CB -0.431 31.350 31.823 -0.069 0.000 1.190 14 V HN 0.211 nan 8.190 nan 0.000 0.540 15 A N 1.723 124.556 122.820 0.022 0.000 1.940 15 A HA -0.024 4.296 4.320 0.000 0.000 0.219 15 A C 1.145 178.763 177.584 0.057 0.000 1.176 15 A CA 2.181 54.241 52.037 0.038 0.000 0.631 15 A CB -0.351 18.670 19.000 0.036 0.000 0.814 15 A HN 0.932 nan 8.150 nan 0.000 0.446 16 D N -5.130 115.309 120.400 0.066 0.000 2.825 16 D HA 0.145 4.785 4.640 0.000 0.000 0.327 16 D C 0.602 176.983 176.300 0.136 0.000 1.277 16 D CA -0.390 53.674 54.000 0.107 0.000 0.950 16 D CB -0.087 40.779 40.800 0.110 0.000 1.438 16 D HN 0.003 nan 8.370 nan 0.000 0.526 17 F N 1.279 121.244 119.950 0.025 0.000 2.026 17 F HA -0.181 4.346 4.527 0.000 0.000 0.296 17 F C 1.897 177.701 175.800 0.008 0.000 1.133 17 F CA 2.276 60.286 58.000 0.017 0.000 1.188 17 F CB -0.310 38.695 39.000 0.008 0.000 0.968 17 F HN 0.219 nan 8.300 nan 0.000 0.476 18 D N 0.654 121.255 120.400 0.336 0.000 2.116 18 D HA -0.265 4.375 4.640 0.000 0.000 0.193 18 D C 2.356 178.653 176.300 -0.005 0.000 0.998 18 D CA 1.734 55.834 54.000 0.167 0.000 0.836 18 D CB -0.831 40.065 40.800 0.161 0.000 0.951 18 D HN 0.431 nan 8.370 nan 0.000 0.449 19 A N 1.274 124.099 122.820 0.009 0.000 1.873 19 A HA -0.218 4.102 4.320 0.000 0.000 0.218 19 A C 2.361 179.889 177.584 -0.094 0.000 1.193 19 A CA 1.843 53.860 52.037 -0.033 0.000 0.629 19 A CB -0.721 18.275 19.000 -0.006 0.000 0.826 19 A HN 0.167 nan 8.150 nan 0.000 0.447 20 M N -0.549 119.002 119.600 -0.082 0.000 2.144 20 M HA -0.196 4.284 4.480 0.000 0.000 0.260 20 M C 1.972 178.221 176.300 -0.086 0.000 1.067 20 M CA 1.514 56.807 55.300 -0.012 0.000 1.095 20 M CB -0.644 31.982 32.600 0.044 0.000 1.365 20 M HN 0.471 nan 8.290 nan 0.000 0.406 21 N N 0.155 118.690 118.700 -0.274 0.000 2.106 21 N HA -0.103 4.637 4.740 0.000 0.000 0.188 21 N C 1.711 177.112 175.510 -0.182 0.000 1.029 21 N CA 1.225 54.103 53.050 -0.286 0.000 0.848 21 N CB -0.238 38.053 38.487 -0.327 0.000 1.007 21 N HN 0.378 nan 8.380 nan 0.000 0.423 22 R N 0.481 120.890 120.500 -0.151 0.000 2.105 22 R HA -0.020 4.320 4.340 0.000 0.000 0.239 22 R C 2.328 178.496 176.300 -0.221 0.000 1.135 22 R CA 1.172 57.188 56.100 -0.140 0.000 0.967 22 R CB -0.138 30.105 30.300 -0.096 0.000 0.861 22 R HN 0.134 nan 8.270 nan 0.000 0.442 23 S N 0.346 115.854 115.700 -0.321 0.000 2.368 23 S HA -0.110 4.360 4.470 0.000 0.000 0.224 23 S C 2.034 176.384 174.600 -0.416 0.000 1.029 23 S CA 1.128 58.911 58.200 -0.695 0.000 0.988 23 S CB -0.126 62.391 63.200 -1.138 0.000 0.838 23 S HN 0.489 nan 8.310 nan 0.000 0.462 24 A N 2.234 124.988 122.820 -0.109 0.000 1.908 24 A HA -0.196 4.124 4.320 0.000 0.000 0.218 24 A C 1.790 179.321 177.584 -0.088 0.000 1.181 24 A CA 1.784 53.801 52.037 -0.033 0.000 0.627 24 A CB -0.800 18.078 19.000 -0.202 0.000 0.818 24 A HN 0.397 nan 8.150 nan 0.000 0.445 25 D N 0.051 120.377 120.400 -0.124 0.000 2.158 25 D HA -0.166 4.474 4.640 0.000 0.000 0.197 25 D C 1.855 178.096 176.300 -0.098 0.000 0.995 25 D CA 1.452 55.392 54.000 -0.099 0.000 0.846 25 D CB -0.316 40.427 40.800 -0.095 0.000 0.941 25 D HN 0.565 nan 8.370 nan 0.000 0.456 26 I N 0.569 121.044 120.570 -0.158 0.000 2.353 26 I HA -0.192 3.979 4.170 0.000 0.000 0.248 26 I C 2.432 178.509 176.117 -0.066 0.000 1.119 26 I CA 0.403 61.582 61.300 -0.202 0.000 1.417 26 I CB -0.093 37.632 38.000 -0.459 0.000 1.078 26 I HN -0.117 nan 8.210 nan 0.000 0.421 27 V N 1.351 121.276 119.914 0.018 0.000 2.237 27 V HA -0.273 3.847 4.120 0.000 0.000 0.245 27 V C 2.349 178.478 176.094 0.058 0.000 1.046 27 V CA 1.754 64.122 62.300 0.113 0.000 1.007 27 V CB -0.616 31.317 31.823 0.183 0.000 0.638 27 V HN 0.359 nan 8.190 nan 0.000 0.445 28 L N 0.454 121.690 121.223 0.022 0.000 2.353 28 L HA -0.152 4.188 4.340 0.000 0.000 0.220 28 L C 2.675 179.548 176.870 0.005 0.000 1.133 28 L CA 1.356 56.200 54.840 0.008 0.000 0.798 28 L CB -0.747 41.303 42.059 -0.015 0.000 0.922 28 L HN 0.436 nan 8.230 nan 0.000 0.445 29 S N -0.429 115.270 115.700 -0.000 0.000 2.365 29 S HA -0.198 4.273 4.470 0.000 0.000 0.225 29 S C 0.951 175.561 174.600 0.017 0.000 1.039 29 S CA 1.340 59.542 58.200 0.003 0.000 1.033 29 S CB -0.150 63.047 63.200 -0.005 0.000 0.887 29 S HN 0.443 nan 8.310 nan 0.000 0.447 30 D N -0.426 119.992 120.400 0.030 0.000 2.193 30 D HA 0.556 5.196 4.640 0.000 0.000 0.244 30 D C 0.407 176.721 176.300 0.025 0.000 1.064 30 D CA 0.164 54.180 54.000 0.026 0.000 0.845 30 D CB 1.670 42.490 40.800 0.034 0.000 1.148 30 D HN 0.210 nan 8.370 nan 0.000 0.464 31 A N 4.188 127.017 122.820 0.014 0.000 2.206 31 A HA -0.058 4.262 4.320 0.000 0.000 0.211 31 A C 1.520 179.111 177.584 0.013 0.000 1.158 31 A CA 0.381 52.426 52.037 0.013 0.000 0.761 31 A CB -0.133 18.871 19.000 0.007 0.000 0.801 31 A HN 0.594 nan 8.150 nan 0.000 0.473 32 N N -0.259 118.448 118.700 0.011 0.000 2.424 32 N HA -0.008 4.732 4.740 0.000 0.000 0.178 32 N C 0.503 176.022 175.510 0.016 0.000 1.060 32 N CA 0.355 53.410 53.050 0.008 0.000 0.901 32 N CB 0.300 38.786 38.487 -0.002 0.000 0.979 32 N HN 0.277 nan 8.380 nan 0.000 0.451 33 V N 2.424 122.358 119.914 0.033 0.000 2.446 33 V HA 0.074 4.194 4.120 0.000 0.000 0.276 33 V C 0.759 176.879 176.094 0.044 0.000 1.030 33 V CA 0.282 62.611 62.300 0.049 0.000 1.033 33 V CB 0.164 32.041 31.823 0.090 0.000 0.993 33 V HN 0.166 nan 8.190 nan 0.000 0.477 34 R N 5.091 125.608 120.500 0.027 0.000 2.521 34 R HA 0.412 4.752 4.340 0.000 0.000 0.289 34 R C -0.312 175.992 176.300 0.007 0.000 0.936 34 R CA -0.300 55.810 56.100 0.016 0.000 1.089 34 R CB 0.889 31.186 30.300 -0.004 0.000 1.348 34 R HN 0.554 nan 8.270 nan 0.000 0.536 35 L N 1.622 122.851 121.223 0.011 0.000 2.409 35 L HA 0.528 4.868 4.340 0.000 0.000 0.272 35 L C -1.418 175.471 176.870 0.033 0.000 0.980 35 L CA -0.914 53.922 54.840 -0.006 0.000 0.826 35 L CB 2.437 44.468 42.059 -0.047 0.000 1.268 35 L HN -0.215 nan 8.230 nan 0.000 0.407 36 V N 5.158 125.103 119.914 0.053 0.000 2.483 36 V HA 0.400 4.520 4.120 0.000 0.000 0.297 36 V C -0.204 175.916 176.094 0.045 0.000 1.027 36 V CA -0.647 61.706 62.300 0.088 0.000 0.855 36 V CB 2.056 33.985 31.823 0.177 0.000 0.995 36 V HN 0.427 nan 8.190 nan 0.000 0.424 37 V N 6.664 126.594 119.914 0.027 0.000 2.394 37 V HA 0.524 4.645 4.120 0.000 0.000 0.282 37 V C -0.074 176.037 176.094 0.029 0.000 1.031 37 V CA -0.313 61.995 62.300 0.014 0.000 0.881 37 V CB 1.484 33.309 31.823 0.003 0.000 0.982 37 V HN 0.629 nan 8.190 nan 0.000 0.451 38 L N 3.258 124.495 121.223 0.025 0.000 2.323 38 L HA 0.651 4.991 4.340 0.000 0.000 0.265 38 L C 0.207 177.108 176.870 0.052 0.000 1.012 38 L CA -0.396 54.458 54.840 0.023 0.000 0.820 38 L CB 2.339 44.379 42.059 -0.033 0.000 1.334 38 L HN 0.564 nan 8.230 nan 0.000 0.427 39 S N 0.023 115.751 115.700 0.046 0.000 2.719 39 S HA 0.706 5.176 4.470 0.000 0.000 0.285 39 S C -0.018 174.615 174.600 0.055 0.000 1.137 39 S CA -0.570 57.656 58.200 0.043 0.000 1.012 39 S CB 1.716 64.917 63.200 0.001 0.000 1.134 39 S HN 0.692 nan 8.310 nan 0.000 0.544 40 A N 0.945 123.798 122.820 0.056 0.000 2.332 40 A HA 0.574 4.894 4.320 0.000 0.000 0.258 40 A C 0.380 177.993 177.584 0.047 0.000 1.087 40 A CA -0.421 51.661 52.037 0.074 0.000 0.802 40 A CB -0.080 18.973 19.000 0.089 0.000 1.042 40 A HN 0.636 nan 8.150 nan 0.000 0.489 41 S N 0.438 116.171 115.700 0.056 0.000 2.568 41 S HA 0.373 4.843 4.470 0.000 0.000 0.282 41 S C 0.845 175.467 174.600 0.036 0.000 1.338 41 S CA 0.086 58.312 58.200 0.045 0.000 1.045 41 S CB 0.426 63.659 63.200 0.055 0.000 0.873 41 S HN 1.418 nan 8.310 nan 0.000 0.516 42 A N 1.947 124.784 122.820 0.030 0.000 2.598 42 A HA 0.399 4.719 4.320 0.000 0.000 0.239 42 A C 1.662 179.262 177.584 0.026 0.000 1.032 42 A CA 0.555 52.605 52.037 0.023 0.000 0.760 42 A CB -1.214 17.801 19.000 0.025 0.000 0.946 42 A HN 1.812 nan 8.150 nan 0.000 0.512 43 G N 1.745 110.555 108.800 0.018 0.000 2.454 43 G HA2 -0.309 3.651 3.960 0.000 0.000 0.225 43 G HA3 -0.309 3.651 3.960 0.000 0.000 0.225 43 G C 1.043 175.960 174.900 0.028 0.000 1.138 43 G CA 0.442 45.555 45.100 0.022 0.000 0.667 43 G HN 0.762 nan 8.290 nan 0.000 0.512 44 I N 1.791 122.384 120.570 0.037 0.000 2.091 44 I HA -0.228 3.942 4.170 0.000 0.000 0.240 44 I C 2.910 179.060 176.117 0.054 0.000 1.046 44 I CA 2.808 64.138 61.300 0.050 0.000 1.306 44 I CB -1.945 36.093 38.000 0.063 0.000 1.018 44 I HN 0.375 nan 8.210 nan 0.000 0.404 45 T N 1.702 116.284 114.554 0.047 0.000 2.685 45 T HA -0.196 4.154 4.350 0.000 0.000 0.268 45 T C 1.713 176.443 174.700 0.049 0.000 1.034 45 T CA 1.691 63.824 62.100 0.055 0.000 1.149 45 T CB -0.338 68.522 68.868 -0.014 0.000 0.860 45 T HN 0.325 nan 8.240 nan 0.000 0.449 46 N N 1.143 119.859 118.700 0.026 0.000 2.106 46 N HA 0.015 4.755 4.740 0.000 0.000 0.188 46 N C 1.953 177.482 175.510 0.032 0.000 1.029 46 N CA 0.937 54.002 53.050 0.025 0.000 0.848 46 N CB -0.512 37.984 38.487 0.015 0.000 1.007 46 N HN 0.367 nan 8.380 nan 0.000 0.423 47 L N 0.934 122.177 121.223 0.033 0.000 2.046 47 L HA -0.124 4.216 4.340 0.000 0.000 0.208 47 L C 2.384 179.273 176.870 0.033 0.000 1.077 47 L CA 0.861 55.719 54.840 0.030 0.000 0.747 47 L CB -0.608 41.469 42.059 0.031 0.000 0.896 47 L HN 0.093 nan 8.230 nan 0.000 0.432 48 L N -0.801 120.453 121.223 0.051 0.000 2.012 48 L HA -0.210 4.130 4.340 0.000 0.000 0.210 48 L C 2.598 179.505 176.870 0.061 0.000 1.073 48 L CA 1.035 55.914 54.840 0.065 0.000 0.748 48 L CB -0.600 41.523 42.059 0.105 0.000 0.891 48 L HN 0.076 nan 8.230 nan 0.000 0.431 49 V N 0.120 120.074 119.914 0.067 0.000 2.287 49 V HA -0.329 3.791 4.120 0.000 0.000 0.248 49 V C 2.785 178.903 176.094 0.039 0.000 1.053 49 V CA 1.850 64.187 62.300 0.062 0.000 1.027 49 V CB -1.030 30.829 31.823 0.060 0.000 0.646 49 V HN 0.503 nan 8.190 nan 0.000 0.447 50 A N 0.005 122.843 122.820 0.030 0.000 1.892 50 A HA -0.211 4.109 4.320 0.000 0.000 0.218 50 A C 2.227 179.817 177.584 0.010 0.000 1.188 50 A CA 2.169 54.217 52.037 0.019 0.000 0.631 50 A CB -0.633 18.376 19.000 0.016 0.000 0.822 50 A HN 0.512 nan 8.150 nan 0.000 0.447 51 L N -0.787 120.438 121.223 0.004 0.000 2.012 51 L HA -0.215 4.126 4.340 0.000 0.000 0.210 51 L C 3.054 179.920 176.870 -0.006 0.000 1.073 51 L CA 1.171 56.002 54.840 -0.015 0.000 0.748 51 L CB -0.680 41.363 42.059 -0.027 0.000 0.891 51 L HN 0.427 nan 8.230 nan 0.000 0.431 52 A N -0.082 122.746 122.820 0.014 0.000 2.084 52 A HA -0.229 4.091 4.320 0.000 0.000 0.221 52 A C 2.107 179.698 177.584 0.010 0.000 1.161 52 A CA 1.746 53.795 52.037 0.019 0.000 0.653 52 A CB -0.488 18.536 19.000 0.039 0.000 0.802 52 A HN 0.563 nan 8.150 nan 0.000 0.457 53 E N -1.254 118.952 120.200 0.010 0.000 2.216 53 E HA 0.259 4.609 4.350 0.000 0.000 0.192 53 E C 0.827 177.428 176.600 0.001 0.000 0.988 53 E CA 0.258 56.662 56.400 0.008 0.000 0.834 53 E CB -0.174 29.533 29.700 0.011 0.000 0.772 53 E HN 0.787 nan 8.360 nan 0.000 0.479 54 G N 1.496 110.294 108.800 -0.004 0.000 3.269 54 G HA2 -0.163 3.797 3.960 0.000 0.000 0.668 54 G HA3 -0.163 3.797 3.960 0.000 0.000 0.668 54 G C -0.650 174.248 174.900 -0.004 0.000 1.100 54 G CA -0.577 44.518 45.100 -0.008 0.000 0.940 54 G HN 0.040 nan 8.290 nan 0.000 0.438 55 L N 1.295 122.512 121.223 -0.010 0.000 2.334 55 L HA 0.660 5.000 4.340 0.000 0.000 0.273 55 L C 0.851 177.730 176.870 0.015 0.000 1.013 55 L CA -1.432 53.410 54.840 0.002 0.000 0.816 55 L CB 1.706 43.764 42.059 -0.002 0.000 1.278 55 L HN 0.825 nan 8.230 nan 0.000 0.431 56 E N 1.852 122.071 120.200 0.031 0.000 2.436 56 E HA 0.023 4.374 4.350 0.000 0.000 0.262 56 E C -2.200 174.454 176.600 0.089 0.000 1.063 56 E CA -0.909 55.521 56.400 0.051 0.000 0.944 56 E CB -0.027 29.701 29.700 0.046 0.000 0.950 56 E HN 0.256 nan 8.360 nan 0.000 0.444 57 P HA -0.304 nan 4.420 nan 0.000 0.218 57 P C 1.333 178.842 177.300 0.349 0.000 1.165 57 P CA 2.530 65.795 63.100 0.275 0.000 0.922 57 P CB -0.172 31.651 31.700 0.204 0.000 0.794 58 G N -0.428 108.482 108.800 0.184 0.000 2.545 58 G HA2 -0.348 3.613 3.960 0.000 0.000 0.217 58 G HA3 -0.348 3.613 3.960 0.000 0.000 0.217 58 G C 1.619 176.616 174.900 0.161 0.000 1.218 58 G CA 1.318 46.506 45.100 0.148 0.000 0.787 58 G HN 0.361 nan 8.290 nan 0.000 0.571 59 E N 0.049 120.312 120.200 0.106 0.000 2.150 59 E HA -0.115 4.235 4.350 0.000 0.000 0.193 59 E C 2.456 179.096 176.600 0.066 0.000 0.985 59 E CA 0.666 57.112 56.400 0.077 0.000 0.814 59 E CB -0.172 29.557 29.700 0.047 0.000 0.752 59 E HN 0.432 nan 8.360 nan 0.000 0.466 60 R N -0.460 120.073 120.500 0.053 0.000 2.117 60 R HA -0.180 4.160 4.340 0.000 0.000 0.243 60 R C 1.570 177.763 176.300 -0.179 0.000 1.143 60 R CA 1.718 57.773 56.100 -0.075 0.000 0.968 60 R CB -0.247 29.979 30.300 -0.124 0.000 0.863 60 R HN 0.240 nan 8.270 nan 0.000 0.444 61 F N 0.403 120.360 119.950 0.012 0.000 2.569 61 F HA 0.116 4.643 4.527 0.000 0.000 0.295 61 F C 2.074 177.882 175.800 0.014 0.000 1.115 61 F CA 0.540 58.548 58.000 0.012 0.000 1.450 61 F CB 0.162 39.167 39.000 0.008 0.000 1.107 61 F HN 0.051 nan 8.300 nan 0.000 0.563 62 E N 0.243 120.540 120.200 0.161 0.000 2.150 62 E HA -0.145 4.206 4.350 0.000 0.000 0.193 62 E C 1.931 178.570 176.600 0.065 0.000 0.985 62 E CA 0.755 57.217 56.400 0.102 0.000 0.814 62 E CB 0.021 29.768 29.700 0.077 0.000 0.752 62 E HN 0.221 nan 8.360 nan 0.000 0.466 63 K N 0.585 121.007 120.400 0.037 0.000 2.116 63 K HA -0.058 4.262 4.320 0.000 0.000 0.203 63 K C 2.192 178.798 176.600 0.010 0.000 1.052 63 K CA 0.339 56.637 56.287 0.018 0.000 0.952 63 K CB -0.438 32.062 32.500 0.000 0.000 0.729 63 K HN 0.068 nan 8.250 nan 0.000 0.446 64 L N 2.443 123.653 121.223 -0.023 0.000 1.970 64 L HA -0.226 4.114 4.340 0.000 0.000 0.212 64 L C 2.219 179.114 176.870 0.042 0.000 1.071 64 L CA 1.955 56.773 54.840 -0.036 0.000 0.751 64 L CB -0.593 41.381 42.059 -0.141 0.000 0.889 64 L HN 0.221 nan 8.230 nan 0.000 0.432 65 D N -0.912 119.539 120.400 0.085 0.000 2.149 65 D HA -0.212 4.428 4.640 0.000 0.000 0.198 65 D C 2.043 178.391 176.300 0.080 0.000 0.990 65 D CA 1.332 55.389 54.000 0.096 0.000 0.839 65 D CB 0.174 41.035 40.800 0.101 0.000 0.948 65 D HN 0.446 nan 8.370 nan 0.000 0.460 66 A N 0.963 123.822 122.820 0.065 0.000 1.865 66 A HA -0.186 4.134 4.320 0.000 0.000 0.217 66 A C 2.558 180.182 177.584 0.068 0.000 1.191 66 A CA 1.493 53.566 52.037 0.060 0.000 0.623 66 A CB -0.904 18.124 19.000 0.047 0.000 0.826 66 A HN 0.349 nan 8.150 nan 0.000 0.444 67 I N -1.079 119.527 120.570 0.061 0.000 2.151 67 I HA -0.323 3.848 4.170 0.000 0.000 0.243 67 I C 2.771 178.941 176.117 0.090 0.000 1.080 67 I CA 1.963 63.301 61.300 0.063 0.000 1.339 67 I CB -0.432 37.595 38.000 0.046 0.000 1.039 67 I HN 0.393 nan 8.210 nan 0.000 0.409 68 R N 1.086 121.656 120.500 0.116 0.000 2.080 68 R HA -0.203 4.137 4.340 0.000 0.000 0.236 68 R C 2.211 178.667 176.300 0.260 0.000 1.137 68 R CA 1.966 58.189 56.100 0.205 0.000 0.943 68 R CB -0.267 30.162 30.300 0.216 0.000 0.846 68 R HN 0.377 nan 8.270 nan 0.000 0.431 69 N N 0.742 119.548 118.700 0.177 0.000 2.137 69 N HA -0.202 4.539 4.740 0.000 0.000 0.190 69 N C 1.861 177.463 175.510 0.154 0.000 1.017 69 N CA 1.558 54.703 53.050 0.158 0.000 0.859 69 N CB -0.239 38.304 38.487 0.093 0.000 1.002 69 N HN 0.353 nan 8.380 nan 0.000 0.428 70 I N 1.160 121.800 120.570 0.117 0.000 2.252 70 I HA -0.239 3.931 4.170 0.000 0.000 0.245 70 I C 2.241 178.411 176.117 0.088 0.000 1.102 70 I CA 0.888 62.244 61.300 0.094 0.000 1.385 70 I CB -0.170 37.873 38.000 0.073 0.000 1.064 70 I HN 0.085 nan 8.210 nan 0.000 0.414 71 Q N 0.370 120.211 119.800 0.069 0.000 2.050 71 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 71 Q C 2.200 178.149 176.000 -0.085 0.000 0.980 71 Q CA 1.873 57.657 55.803 -0.031 0.000 0.840 71 Q CB -0.633 28.034 28.738 -0.118 0.000 0.898 71 Q HN 0.460 nan 8.270 nan 0.000 0.424 72 F N 0.874 120.848 119.950 0.040 0.000 2.293 72 F HA -0.066 4.461 4.527 0.000 0.000 0.300 72 F C 2.319 178.136 175.800 0.028 0.000 1.086 72 F CA 0.708 58.726 58.000 0.031 0.000 1.375 72 F CB -0.391 38.620 39.000 0.019 0.000 1.045 72 F HN 0.053 nan 8.300 nan 0.000 0.516 73 A N 0.162 123.093 122.820 0.185 0.000 1.978 73 A HA -0.168 4.152 4.320 0.000 0.000 0.220 73 A C 2.186 179.830 177.584 0.100 0.000 1.170 73 A CA 1.639 53.746 52.037 0.118 0.000 0.636 73 A CB -0.854 18.206 19.000 0.100 0.000 0.810 73 A HN 0.449 nan 8.150 nan 0.000 0.448 74 I N -1.338 119.299 120.570 0.113 0.000 2.585 74 I HA -0.084 4.086 4.170 0.000 0.000 0.254 74 I C 2.330 178.527 176.117 0.133 0.000 1.129 74 I CA 0.388 61.789 61.300 0.168 0.000 1.455 74 I CB -0.193 37.901 38.000 0.158 0.000 1.111 74 I HN 0.263 nan 8.210 nan 0.000 0.433 75 L N 0.813 122.063 121.223 0.046 0.000 1.989 75 L HA -0.243 4.097 4.340 0.000 0.000 0.211 75 L C 2.466 179.365 176.870 0.049 0.000 1.071 75 L CA 1.716 56.566 54.840 0.017 0.000 0.749 75 L CB -0.428 41.567 42.059 -0.106 0.000 0.890 75 L HN 0.246 nan 8.230 nan 0.000 0.431 76 E N -0.636 119.608 120.200 0.073 0.000 2.267 76 E HA -0.215 4.135 4.350 0.000 0.000 0.197 76 E C 2.028 178.568 176.600 -0.099 0.000 0.998 76 E CA 0.580 56.992 56.400 0.022 0.000 0.830 76 E CB 0.042 29.765 29.700 0.039 0.000 0.751 76 E HN 0.309 nan 8.360 nan 0.000 0.491 77 R N 0.192 120.571 120.500 -0.202 0.000 2.275 77 R HA 0.123 4.463 4.340 0.000 0.000 0.199 77 R C 0.820 176.879 176.300 -0.401 0.000 0.989 77 R CA 0.129 55.910 56.100 -0.530 0.000 1.016 77 R CB -0.161 29.400 30.300 -1.233 0.000 0.918 77 R HN 0.182 nan 8.270 nan 0.000 0.473 78 L N 0.581 121.753 121.223 -0.085 0.000 2.464 78 L HA 0.144 4.484 4.340 0.000 0.000 0.264 78 L C 2.113 178.954 176.870 -0.049 0.000 1.199 78 L CA 0.017 54.886 54.840 0.049 0.000 0.818 78 L CB 0.602 42.720 42.059 0.099 0.000 1.102 78 L HN -0.024 nan 8.230 nan 0.000 0.473 79 R N 1.166 121.628 120.500 -0.064 0.000 2.093 79 R HA -0.041 4.299 4.340 0.000 0.000 0.224 79 R C -0.174 175.863 176.300 -0.438 0.000 1.101 79 R CA 1.054 56.991 56.100 -0.272 0.000 0.979 79 R CB 0.222 30.329 30.300 -0.320 0.000 0.877 79 R HN 0.555 nan 8.270 nan 0.000 0.441 80 Y N -0.402 119.907 120.300 0.015 0.000 2.658 80 Y HA 0.337 4.888 4.550 0.000 0.000 0.362 80 Y C -2.008 173.898 175.900 0.011 0.000 1.017 80 Y CA -2.198 55.908 58.100 0.010 0.000 1.134 80 Y CB 1.744 40.207 38.460 0.006 0.000 1.144 80 Y HN 0.121 nan 8.280 nan 0.000 0.655 81 P HA -0.183 nan 4.420 nan 0.000 0.215 81 P C 1.095 178.437 177.300 0.070 0.000 1.157 81 P CA 1.516 64.660 63.100 0.074 0.000 0.868 81 P CB 0.362 32.097 31.700 0.059 0.000 0.788 82 N N -0.530 118.219 118.700 0.081 0.000 2.503 82 N HA -0.110 4.630 4.740 0.000 0.000 0.189 82 N C 1.604 177.138 175.510 0.040 0.000 1.048 82 N CA 0.578 53.665 53.050 0.061 0.000 0.905 82 N CB -0.736 37.789 38.487 0.064 0.000 0.951 82 N HN 0.068 nan 8.380 nan 0.000 0.446 83 V N 0.156 120.100 119.914 0.049 0.000 3.141 83 V HA -0.041 4.079 4.120 0.000 0.000 0.265 83 V C 1.291 177.380 176.094 -0.010 0.000 1.126 83 V CA 1.106 63.417 62.300 0.017 0.000 1.141 83 V CB -0.092 31.747 31.823 0.026 0.000 0.743 83 V HN 0.130 nan 8.190 nan 0.000 0.492 84 I N -1.701 118.863 120.570 -0.011 0.000 4.665 84 I HA 0.275 4.445 4.170 0.000 0.000 0.360 84 I C 1.739 177.821 176.117 -0.059 0.000 1.259 84 I CA 0.380 61.651 61.300 -0.048 0.000 1.301 84 I CB -0.216 37.751 38.000 -0.055 0.000 1.746 84 I HN 0.048 nan 8.210 nan 0.000 0.598 85 R N 0.874 121.357 120.500 -0.028 0.000 2.083 85 R HA -0.213 4.127 4.340 0.000 0.000 0.237 85 R C 1.911 178.202 176.300 -0.015 0.000 1.137 85 R CA 2.248 58.335 56.100 -0.023 0.000 0.951 85 R CB -0.114 30.222 30.300 0.061 0.000 0.851 85 R HN 0.475 nan 8.270 nan 0.000 0.434 86 E N -0.251 119.947 120.200 -0.003 0.000 2.150 86 E HA -0.188 4.163 4.350 0.000 0.000 0.193 86 E C 1.720 178.302 176.600 -0.030 0.000 0.985 86 E CA 0.827 57.226 56.400 -0.001 0.000 0.814 86 E CB 0.182 29.881 29.700 -0.002 0.000 0.752 86 E HN 0.263 nan 8.360 nan 0.000 0.466 87 E N 0.538 120.701 120.200 -0.061 0.000 2.047 87 E HA -0.159 4.192 4.350 0.000 0.000 0.191 87 E C 2.076 178.627 176.600 -0.082 0.000 0.987 87 E CA 0.594 56.941 56.400 -0.088 0.000 0.799 87 E CB -0.063 29.554 29.700 -0.139 0.000 0.752 87 E HN 0.296 nan 8.360 nan 0.000 0.449 88 I N 1.759 122.269 120.570 -0.100 0.000 2.142 88 I HA -0.232 3.938 4.170 0.000 0.000 0.240 88 I C 2.206 178.284 176.117 -0.066 0.000 1.078 88 I CA 1.169 62.400 61.300 -0.115 0.000 1.343 88 I CB -1.364 36.494 38.000 -0.236 0.000 1.046 88 I HN 0.126 nan 8.210 nan 0.000 0.405 89 E N 0.441 120.625 120.200 -0.027 0.000 2.086 89 E HA -0.270 4.080 4.350 0.000 0.000 0.200 89 E C 2.278 178.891 176.600 0.020 0.000 1.012 89 E CA 1.139 57.571 56.400 0.053 0.000 0.812 89 E CB -0.462 29.291 29.700 0.088 0.000 0.743 89 E HN 0.358 nan 8.360 nan 0.000 0.453 90 R N 0.842 121.340 120.500 -0.003 0.000 2.080 90 R HA -0.120 4.220 4.340 0.000 0.000 0.236 90 R C 2.651 178.935 176.300 -0.027 0.000 1.137 90 R CA 1.137 57.230 56.100 -0.011 0.000 0.943 90 R CB -0.737 29.552 30.300 -0.019 0.000 0.846 90 R HN 0.209 nan 8.270 nan 0.000 0.431 91 L N 0.784 121.986 121.223 -0.035 0.000 2.042 91 L HA -0.207 4.133 4.340 0.000 0.000 0.210 91 L C 2.596 179.381 176.870 -0.143 0.000 1.076 91 L CA 1.112 55.914 54.840 -0.063 0.000 0.749 91 L CB -0.429 41.633 42.059 0.004 0.000 0.893 91 L HN 0.206 nan 8.230 nan 0.000 0.432 92 L N -0.725 120.455 121.223 -0.071 0.000 2.046 92 L HA -0.215 4.125 4.340 0.000 0.000 0.208 92 L C 2.587 179.422 176.870 -0.058 0.000 1.077 92 L CA 1.280 56.089 54.840 -0.052 0.000 0.747 92 L CB -0.529 41.548 42.059 0.030 0.000 0.896 92 L HN 0.294 nan 8.230 nan 0.000 0.432 93 E N 0.053 120.233 120.200 -0.032 0.000 2.031 93 E HA -0.251 4.099 4.350 0.000 0.000 0.193 93 E C 1.897 178.462 176.600 -0.059 0.000 0.994 93 E CA 1.424 57.812 56.400 -0.019 0.000 0.800 93 E CB -0.159 29.543 29.700 0.002 0.000 0.752 93 E HN 0.389 nan 8.360 nan 0.000 0.447 94 N N 1.102 119.747 118.700 -0.091 0.000 2.060 94 N HA -0.193 4.547 4.740 0.000 0.000 0.195 94 N C 1.735 177.144 175.510 -0.168 0.000 1.028 94 N CA 1.276 54.260 53.050 -0.111 0.000 0.861 94 N CB -0.207 38.209 38.487 -0.119 0.000 1.029 94 N HN 0.108 nan 8.380 nan 0.000 0.428 95 I N -0.418 119.983 120.570 -0.282 0.000 2.163 95 I HA -0.288 3.882 4.170 0.000 0.000 0.243 95 I C 1.955 177.987 176.117 -0.140 0.000 1.085 95 I CA 1.301 62.455 61.300 -0.243 0.000 1.347 95 I CB -0.608 37.250 38.000 -0.236 0.000 1.044 95 I HN 0.214 nan 8.210 nan 0.000 0.408 96 T N 0.436 114.916 114.554 -0.124 0.000 2.720 96 T HA -0.141 4.209 4.350 0.000 0.000 0.268 96 T C 1.921 176.558 174.700 -0.104 0.000 1.037 96 T CA 1.527 63.545 62.100 -0.137 0.000 1.144 96 T CB -0.228 68.601 68.868 -0.065 0.000 0.864 96 T HN 0.143 nan 8.240 nan 0.000 0.444 97 V N 1.122 121.003 119.914 -0.056 0.000 2.407 97 V HA -0.024 4.096 4.120 0.000 0.000 0.245 97 V C 2.465 178.541 176.094 -0.030 0.000 1.041 97 V CA 1.146 63.429 62.300 -0.027 0.000 1.040 97 V CB -0.733 31.086 31.823 -0.007 0.000 0.671 97 V HN 0.399 nan 8.190 nan 0.000 0.455 98 L N 0.543 121.748 121.223 -0.029 0.000 2.042 98 L HA -0.216 4.124 4.340 0.000 0.000 0.210 98 L C 2.775 179.630 176.870 -0.026 0.000 1.076 98 L CA 1.746 56.581 54.840 -0.009 0.000 0.749 98 L CB -0.814 41.258 42.059 0.022 0.000 0.893 98 L HN 0.370 nan 8.230 nan 0.000 0.432 99 A N -0.247 122.537 122.820 -0.059 0.000 1.877 99 A HA -0.286 4.034 4.320 0.000 0.000 0.216 99 A C 2.275 179.812 177.584 -0.078 0.000 1.186 99 A CA 1.990 53.976 52.037 -0.084 0.000 0.620 99 A CB -0.596 18.311 19.000 -0.154 0.000 0.822 99 A HN 0.499 nan 8.150 nan 0.000 0.443 100 E N -0.132 120.022 120.200 -0.077 0.000 2.058 100 E HA -0.153 4.197 4.350 0.000 0.000 0.194 100 E C 2.147 178.737 176.600 -0.017 0.000 0.997 100 E CA 1.208 57.586 56.400 -0.036 0.000 0.801 100 E CB -0.312 29.386 29.700 -0.003 0.000 0.746 100 E HN 0.528 nan 8.360 nan 0.000 0.450 101 A N 1.460 124.271 122.820 -0.015 0.000 1.873 101 A HA -0.224 4.096 4.320 0.000 0.000 0.218 101 A C 2.505 180.081 177.584 -0.012 0.000 1.193 101 A CA 2.395 54.426 52.037 -0.009 0.000 0.629 101 A CB -1.242 17.754 19.000 -0.008 0.000 0.826 101 A HN 0.467 nan 8.150 nan 0.000 0.447 102 A N -0.102 122.708 122.820 -0.016 0.000 1.903 102 A HA -0.018 4.302 4.320 0.000 0.000 0.219 102 A C 2.473 180.049 177.584 -0.012 0.000 1.191 102 A CA 2.751 54.779 52.037 -0.015 0.000 0.638 102 A CB -1.267 17.724 19.000 -0.015 0.000 0.823 102 A HN 1.407 nan 8.150 nan 0.000 0.451 103 A N -1.266 121.546 122.820 -0.013 0.000 2.234 103 A HA 0.093 4.413 4.320 0.000 0.000 0.216 103 A C 1.908 179.492 177.584 -0.000 0.000 1.167 103 A CA 1.562 53.596 52.037 -0.005 0.000 0.698 103 A CB -0.464 18.535 19.000 -0.000 0.000 0.779 103 A HN 0.546 nan 8.150 nan 0.000 0.475 104 L N -2.926 118.295 121.223 -0.003 0.000 2.526 104 L HA 0.431 4.771 4.340 0.000 0.000 0.210 104 L C 0.889 177.754 176.870 -0.007 0.000 1.048 104 L CA 0.533 55.372 54.840 -0.002 0.000 0.852 104 L CB -0.014 42.045 42.059 -0.000 0.000 1.128 104 L HN 0.258 nan 8.230 nan 0.000 0.482 105 A N 0.690 123.502 122.820 -0.012 0.000 2.408 105 A HA 0.635 4.955 4.320 0.000 0.000 0.295 105 A C -0.395 177.175 177.584 -0.024 0.000 1.040 105 A CA -0.302 51.724 52.037 -0.019 0.000 0.707 105 A CB 1.089 20.075 19.000 -0.022 0.000 1.235 105 A HN 0.146 nan 8.150 nan 0.000 0.418 106 T N -0.642 113.897 114.554 -0.026 0.000 2.924 106 T HA 0.922 5.272 4.350 0.000 0.000 0.291 106 T C -0.215 174.459 174.700 -0.044 0.000 1.045 106 T CA -0.076 62.007 62.100 -0.029 0.000 1.015 106 T CB 1.549 70.407 68.868 -0.017 0.000 1.103 106 T HN 2.176 nan 8.240 nan 0.000 0.496 107 S N 0.531 116.198 115.700 -0.055 0.000 2.622 107 S HA 0.450 4.921 4.470 0.000 0.000 0.275 107 S C -2.847 171.704 174.600 -0.082 0.000 1.112 107 S CA -1.016 57.135 58.200 -0.082 0.000 0.837 107 S CB 0.980 64.097 63.200 -0.138 0.000 1.082 107 S HN 0.403 nan 8.310 nan 0.000 0.456 108 P HA -0.060 nan 4.420 nan 0.000 0.216 108 P C 1.791 179.069 177.300 -0.036 0.000 1.153 108 P CA 2.486 65.589 63.100 0.005 0.000 0.858 108 P CB -0.204 31.544 31.700 0.080 0.000 0.789 109 A N -0.419 122.157 122.820 -0.405 0.000 1.873 109 A HA -0.233 4.087 4.320 0.000 0.000 0.218 109 A C 2.150 179.606 177.584 -0.213 0.000 1.193 109 A CA 2.041 53.588 52.037 -0.816 0.000 0.629 109 A CB -1.742 16.431 19.000 -1.378 0.000 0.826 109 A HN 0.218 nan 8.150 nan 0.000 0.447 110 L N -0.425 120.699 121.223 -0.165 0.000 2.093 110 L HA -0.062 4.278 4.340 0.000 0.000 0.208 110 L C 2.295 179.165 176.870 0.000 0.000 1.085 110 L CA 2.808 57.612 54.840 -0.060 0.000 0.755 110 L CB -1.111 40.914 42.059 -0.056 0.000 0.904 110 L HN 0.347 nan 8.230 nan 0.000 0.435 111 T N -0.373 114.184 114.554 0.006 0.000 2.788 111 T HA -0.142 4.208 4.350 0.000 0.000 0.268 111 T C 1.406 176.145 174.700 0.066 0.000 1.044 111 T CA 1.556 63.682 62.100 0.043 0.000 1.139 111 T CB -0.334 68.562 68.868 0.048 0.000 0.867 111 T HN 0.388 nan 8.240 nan 0.000 0.454 112 D N 0.763 121.211 120.400 0.080 0.000 2.097 112 D HA -0.045 4.595 4.640 0.000 0.000 0.197 112 D C 2.319 178.627 176.300 0.014 0.000 0.984 112 D CA 0.668 54.699 54.000 0.051 0.000 0.826 112 D CB -0.235 40.639 40.800 0.122 0.000 0.973 112 D HN 0.183 nan 8.370 nan 0.000 0.460 113 E N 0.378 120.600 120.200 0.037 0.000 2.110 113 E HA -0.123 4.227 4.350 0.000 0.000 0.193 113 E C 2.227 178.832 176.600 0.008 0.000 0.988 113 E CA 0.273 56.669 56.400 -0.007 0.000 0.804 113 E CB -0.205 29.512 29.700 0.030 0.000 0.745 113 E HN 0.312 nan 8.360 nan 0.000 0.458 114 L N -0.107 121.175 121.223 0.098 0.000 1.961 114 L HA -0.191 4.149 4.340 0.000 0.000 0.209 114 L C 2.529 179.524 176.870 0.207 0.000 1.075 114 L CA 1.003 55.964 54.840 0.201 0.000 0.749 114 L CB -0.400 41.729 42.059 0.118 0.000 0.890 114 L HN -0.006 nan 8.230 nan 0.000 0.433 115 V N 0.130 120.128 119.914 0.139 0.000 2.324 115 V HA -0.331 3.789 4.120 0.000 0.000 0.250 115 V C 2.686 178.879 176.094 0.165 0.000 1.060 115 V CA 1.962 64.365 62.300 0.173 0.000 1.042 115 V CB -1.013 30.939 31.823 0.215 0.000 0.650 115 V HN 0.719 nan 8.190 nan 0.000 0.450 116 S N -0.633 115.092 115.700 0.042 0.000 2.423 116 S HA -0.342 4.129 4.470 0.000 0.000 0.238 116 S C 1.828 176.435 174.600 0.012 0.000 1.028 116 S CA 1.851 60.038 58.200 -0.021 0.000 1.000 116 S CB -0.872 62.243 63.200 -0.142 0.000 0.797 116 S HN 0.727 nan 8.310 nan 0.000 0.487 117 H N 1.538 120.663 119.070 0.092 0.000 2.457 117 H HA -0.022 4.534 4.556 0.000 0.000 0.297 117 H C 2.527 177.919 175.328 0.106 0.000 1.092 117 H CA 1.234 57.336 56.048 0.091 0.000 1.309 117 H CB -0.987 28.812 29.762 0.063 0.000 1.382 117 H HN 0.606 nan 8.280 nan 0.000 0.535 118 G N 1.017 109.953 108.800 0.225 0.000 2.459 118 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 118 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 118 G C 1.658 176.661 174.900 0.172 0.000 1.183 118 G CA 0.894 46.101 45.100 0.179 0.000 0.776 118 G HN 0.326 nan 8.290 nan 0.000 0.552 119 E N 0.191 120.505 120.200 0.189 0.000 2.150 119 E HA 0.050 4.401 4.350 0.000 0.000 0.193 119 E C 2.618 179.345 176.600 0.211 0.000 0.985 119 E CA 0.203 56.712 56.400 0.182 0.000 0.814 119 E CB -0.272 29.541 29.700 0.189 0.000 0.752 119 E HN 0.455 nan 8.360 nan 0.000 0.466 120 L N -0.271 121.090 121.223 0.231 0.000 2.017 120 L HA -0.196 4.144 4.340 0.000 0.000 0.208 120 L C 2.355 179.411 176.870 0.310 0.000 1.073 120 L CA 1.196 56.239 54.840 0.339 0.000 0.745 120 L CB -0.452 41.774 42.059 0.280 0.000 0.894 120 L HN 0.231 nan 8.230 nan 0.000 0.432 121 M N -0.376 119.346 119.600 0.204 0.000 2.059 121 M HA -0.182 4.298 4.480 0.000 0.000 0.259 121 M C 2.703 179.094 176.300 0.152 0.000 1.072 121 M CA 2.174 57.554 55.300 0.132 0.000 1.117 121 M CB -0.730 31.924 32.600 0.091 0.000 1.320 121 M HN 0.383 nan 8.290 nan 0.000 0.408 122 S N 0.469 116.264 115.700 0.158 0.000 2.365 122 S HA -0.194 4.276 4.470 0.000 0.000 0.225 122 S C 1.993 176.733 174.600 0.233 0.000 1.039 122 S CA 2.123 60.417 58.200 0.157 0.000 1.033 122 S CB -1.618 61.651 63.200 0.116 0.000 0.887 122 S HN 0.640 nan 8.310 nan 0.000 0.447 123 T N 1.497 116.228 114.554 0.295 0.000 2.708 123 T HA 0.020 4.370 4.350 0.000 0.000 0.266 123 T C 1.907 176.935 174.700 0.546 0.000 1.037 123 T CA 1.363 63.710 62.100 0.412 0.000 1.146 123 T CB -0.952 68.151 68.868 0.393 0.000 0.865 123 T HN 0.374 nan 8.240 nan 0.000 0.435 124 L N 0.374 121.873 121.223 0.460 0.000 2.012 124 L HA -0.014 4.326 4.340 0.000 0.000 0.210 124 L C 2.910 179.853 176.870 0.123 0.000 1.073 124 L CA 1.336 56.249 54.840 0.123 0.000 0.748 124 L CB -0.639 41.317 42.059 -0.172 0.000 0.891 124 L HN 0.266 nan 8.230 nan 0.000 0.431 125 L N -1.518 119.782 121.223 0.127 0.000 2.046 125 L HA -0.259 4.081 4.340 0.000 0.000 0.208 125 L C 2.587 179.531 176.870 0.123 0.000 1.077 125 L CA 1.222 56.120 54.840 0.097 0.000 0.747 125 L CB -0.581 41.533 42.059 0.093 0.000 0.896 125 L HN 0.166 nan 8.230 nan 0.000 0.432 126 F N 0.402 120.382 119.950 0.049 0.000 2.161 126 F HA -0.212 4.315 4.527 0.000 0.000 0.300 126 F C 2.275 178.093 175.800 0.030 0.000 1.089 126 F CA 1.373 59.380 58.000 0.012 0.000 1.282 126 F CB -0.267 38.749 39.000 0.027 0.000 1.010 126 F HN -0.247 nan 8.300 nan 0.000 0.485 127 V N 0.028 120.016 119.914 0.124 0.000 2.490 127 V HA -0.237 3.883 4.120 0.000 0.000 0.250 127 V C 2.302 178.370 176.094 -0.044 0.000 1.061 127 V CA 1.930 64.265 62.300 0.058 0.000 1.064 127 V CB -0.575 31.380 31.823 0.220 0.000 0.670 127 V HN 0.252 nan 8.190 nan 0.000 0.461 128 E N -0.240 119.941 120.200 -0.031 0.000 2.152 128 E HA -0.082 4.268 4.350 0.000 0.000 0.192 128 E C 2.268 178.818 176.600 -0.082 0.000 0.983 128 E CA 0.786 57.169 56.400 -0.029 0.000 0.818 128 E CB -0.207 29.498 29.700 0.009 0.000 0.758 128 E HN 0.407 nan 8.360 nan 0.000 0.467 129 I N 1.146 121.603 120.570 -0.189 0.000 2.208 129 I HA -0.245 3.925 4.170 0.000 0.000 0.245 129 I C 2.435 178.367 176.117 -0.308 0.000 1.097 129 I CA 1.053 62.175 61.300 -0.296 0.000 1.363 129 I CB -1.021 36.668 38.000 -0.519 0.000 1.051 129 I HN 0.107 nan 8.210 nan 0.000 0.413 130 L N -0.139 120.856 121.223 -0.381 0.000 2.027 130 L HA -0.169 4.171 4.340 0.000 0.000 0.206 130 L C 2.749 179.537 176.870 -0.136 0.000 1.074 130 L CA 1.247 55.916 54.840 -0.285 0.000 0.745 130 L CB -0.635 41.251 42.059 -0.289 0.000 0.898 130 L HN 0.180 nan 8.230 nan 0.000 0.433 131 R N 0.091 120.537 120.500 -0.091 0.000 2.120 131 R HA -0.196 4.144 4.340 0.000 0.000 0.234 131 R C 2.001 178.295 176.300 -0.010 0.000 1.123 131 R CA 1.097 57.177 56.100 -0.034 0.000 0.975 131 R CB -0.194 30.099 30.300 -0.011 0.000 0.866 131 R HN 0.375 nan 8.270 nan 0.000 0.446 132 E N 0.732 120.926 120.200 -0.009 0.000 2.472 132 E HA -0.118 4.232 4.350 0.000 0.000 0.200 132 E C 0.935 177.544 176.600 0.015 0.000 1.046 132 E CA 0.495 56.918 56.400 0.039 0.000 0.871 132 E CB 0.258 29.991 29.700 0.055 0.000 0.806 132 E HN 0.167 nan 8.360 nan 0.000 0.533 133 R N 0.453 120.936 120.500 -0.028 0.000 2.546 133 R HA 0.061 4.401 4.340 0.000 0.000 0.320 133 R C -0.701 175.586 176.300 -0.021 0.000 1.021 133 R CA 0.259 56.339 56.100 -0.033 0.000 1.088 133 R CB 0.312 30.567 30.300 -0.075 0.000 1.278 133 R HN 0.146 nan 8.270 nan 0.000 0.557 134 D N 0.215 120.610 120.400 -0.007 0.000 2.708 134 D HA -0.140 4.501 4.640 0.000 0.000 0.236 134 D C -1.106 175.186 176.300 -0.013 0.000 1.146 134 D CA 0.763 54.761 54.000 -0.004 0.000 0.662 134 D CB -0.628 40.174 40.800 0.003 0.000 1.059 134 D HN -0.016 nan 8.370 nan 0.000 0.428 135 V N 0.869 120.768 119.914 -0.024 0.000 2.409 135 V HA 0.263 4.383 4.120 0.000 0.000 0.291 135 V C 0.368 176.451 176.094 -0.018 0.000 1.020 135 V CA -0.890 61.394 62.300 -0.026 0.000 0.848 135 V CB 1.917 33.711 31.823 -0.049 0.000 0.990 135 V HN 0.124 nan 8.190 nan 0.000 0.430 136 Q N 3.789 123.586 119.800 -0.004 0.000 2.281 136 Q HA 0.548 4.888 4.340 0.000 0.000 0.267 136 Q C -0.494 175.515 176.000 0.016 0.000 1.053 136 Q CA 0.109 55.916 55.803 0.007 0.000 0.905 136 Q CB 1.200 29.944 28.738 0.010 0.000 1.195 136 Q HN 0.936 nan 8.270 nan 0.000 0.398 137 A N 5.336 128.173 122.820 0.028 0.000 2.488 137 A HA 0.469 4.789 4.320 0.000 0.000 0.295 137 A C -1.055 176.583 177.584 0.090 0.000 1.045 137 A CA -0.801 51.268 52.037 0.053 0.000 0.703 137 A CB 1.327 20.352 19.000 0.041 0.000 1.271 137 A HN 0.800 nan 8.150 nan 0.000 0.400 138 Q N 1.147 121.017 119.800 0.118 0.000 2.248 138 Q HA 0.614 4.954 4.340 0.000 0.000 0.263 138 Q C -0.970 175.186 176.000 0.261 0.000 1.007 138 Q CA -0.659 55.249 55.803 0.175 0.000 0.877 138 Q CB 1.920 30.750 28.738 0.153 0.000 1.315 138 Q HN 0.706 nan 8.270 nan 0.000 0.454 139 W N 2.081 123.451 121.300 0.116 0.000 2.449 139 W HA 0.604 5.264 4.660 0.000 0.000 0.331 139 W C -1.677 174.968 176.519 0.211 0.000 1.119 139 W CA -0.652 56.777 57.345 0.140 0.000 1.240 139 W CB 1.100 30.613 29.460 0.089 0.000 1.251 139 W HN 0.607 nan 8.180 nan 0.000 0.576 140 F N 5.058 124.666 119.950 -0.569 0.000 2.608 140 F HA 0.200 4.727 4.527 0.000 0.000 0.309 140 F C -0.882 174.350 175.800 -0.948 0.000 1.103 140 F CA -0.984 56.725 58.000 -0.485 0.000 0.954 140 F CB 1.372 40.222 39.000 -0.250 0.000 1.267 140 F HN 0.161 nan 8.300 nan 0.000 0.444 141 D N 4.755 124.450 120.400 -1.175 0.000 2.380 141 D HA 0.223 4.863 4.640 0.000 0.000 0.230 141 D C 1.225 177.239 176.300 -0.476 0.000 1.154 141 D CA 0.049 53.576 54.000 -0.789 0.000 0.859 141 D CB 1.628 42.174 40.800 -0.424 0.000 1.045 141 D HN 0.436 nan 8.370 nan 0.000 0.495 142 V N 5.169 124.994 119.914 -0.149 0.000 2.370 142 V HA -0.301 3.819 4.120 0.000 0.000 0.252 142 V C 2.307 178.396 176.094 -0.009 0.000 1.068 142 V CA 1.618 63.945 62.300 0.045 0.000 1.061 142 V CB -0.675 31.138 31.823 -0.016 0.000 0.656 142 V HN 0.552 nan 8.190 nan 0.000 0.455 143 R N 0.236 120.679 120.500 -0.095 0.000 2.303 143 R HA -0.106 4.234 4.340 0.000 0.000 0.225 143 R C 2.085 178.338 176.300 -0.077 0.000 1.114 143 R CA 0.857 56.906 56.100 -0.084 0.000 1.007 143 R CB -0.306 29.941 30.300 -0.088 0.000 0.861 143 R HN 0.590 nan 8.270 nan 0.000 0.471 144 K N -0.155 120.179 120.400 -0.110 0.000 2.432 144 K HA 0.011 4.331 4.320 0.000 0.000 0.196 144 K C 1.145 177.767 176.600 0.037 0.000 1.038 144 K CA 0.665 56.904 56.287 -0.079 0.000 0.986 144 K CB 0.668 33.037 32.500 -0.218 0.000 0.782 144 K HN 0.059 nan 8.250 nan 0.000 0.485 145 V N -0.584 119.373 119.914 0.072 0.000 3.368 145 V HA 0.081 4.201 4.120 0.000 0.000 0.255 145 V C 0.331 176.427 176.094 0.003 0.000 1.466 145 V CA -0.229 62.110 62.300 0.066 0.000 1.095 145 V CB 0.305 32.199 31.823 0.118 0.000 0.899 145 V HN 0.160 nan 8.190 nan 0.000 0.440 146 M N 2.615 122.205 119.600 -0.016 0.000 3.436 146 M HA 0.353 4.833 4.480 0.000 0.000 0.240 146 M C 0.111 176.367 176.300 -0.073 0.000 1.469 146 M CA -0.304 54.961 55.300 -0.058 0.000 1.622 146 M CB -0.868 31.690 32.600 -0.070 0.000 1.098 146 M HN 0.169 nan 8.290 nan 0.000 0.568 147 R N 1.946 122.407 120.500 -0.065 0.000 2.347 147 R HA 0.530 4.870 4.340 0.000 0.000 0.304 147 R C -0.358 175.891 176.300 -0.085 0.000 1.072 147 R CA 0.291 56.350 56.100 -0.069 0.000 0.980 147 R CB 0.324 30.593 30.300 -0.052 0.000 0.986 147 R HN 0.718 nan 8.270 nan 0.000 0.448 148 T N 0.701 115.192 114.554 -0.104 0.000 2.831 148 T HA 0.476 4.826 4.350 0.000 0.000 0.287 148 T C -0.124 174.500 174.700 -0.127 0.000 1.070 148 T CA -1.014 61.018 62.100 -0.114 0.000 1.010 148 T CB 0.921 69.707 68.868 -0.137 0.000 1.264 148 T HN 0.586 nan 8.240 nan 0.000 0.532 149 N N -0.064 118.561 118.700 -0.126 0.000 2.374 149 N HA 0.207 4.948 4.740 0.000 0.000 0.284 149 N C 0.022 175.398 175.510 -0.223 0.000 1.280 149 N CA -0.168 52.807 53.050 -0.125 0.000 0.963 149 N CB -0.316 38.123 38.487 -0.081 0.000 1.141 149 N HN 0.821 nan 8.380 nan 0.000 0.565 150 D N -2.979 117.311 120.400 -0.184 0.000 2.370 150 D HA 0.004 4.644 4.640 0.000 0.000 0.230 150 D C 0.080 176.255 176.300 -0.209 0.000 1.143 150 D CA -0.155 53.682 54.000 -0.272 0.000 0.834 150 D CB -0.373 40.445 40.800 0.029 0.000 0.944 150 D HN 0.508 nan 8.370 nan 0.000 0.504 151 R N 1.124 121.513 120.500 -0.184 0.000 3.710 151 R HA 0.124 4.464 4.340 0.000 0.000 0.201 151 R C -0.629 175.627 176.300 -0.075 0.000 1.641 151 R CA -0.623 55.447 56.100 -0.049 0.000 1.390 151 R CB -0.874 29.403 30.300 -0.037 0.000 1.341 151 R HN -0.043 nan 8.270 nan 0.000 0.728 152 F N 1.299 121.238 119.950 -0.019 0.000 2.623 152 F HA 0.016 4.543 4.527 0.000 0.000 0.386 152 F C 1.864 177.653 175.800 -0.019 0.000 1.068 152 F CA 2.000 59.984 58.000 -0.027 0.000 1.265 152 F CB 0.582 39.567 39.000 -0.024 0.000 1.026 152 F HN 0.703 nan 8.300 nan 0.000 0.568 153 G N 2.412 111.271 108.800 0.098 0.000 2.308 153 G HA2 -0.249 3.712 3.960 0.000 0.000 0.221 153 G HA3 -0.249 3.712 3.960 0.000 0.000 0.221 153 G C 0.691 175.615 174.900 0.040 0.000 1.032 153 G CA -0.330 44.816 45.100 0.075 0.000 0.623 153 G HN 0.515 nan 8.290 nan 0.000 0.506 154 R N 0.619 121.126 120.500 0.012 0.000 2.648 154 R HA 0.582 4.922 4.340 0.000 0.000 0.341 154 R C 0.529 176.817 176.300 -0.021 0.000 1.154 154 R CA 0.349 56.453 56.100 0.006 0.000 1.228 154 R CB 0.612 30.918 30.300 0.009 0.000 1.311 154 R HN 0.842 nan 8.270 nan 0.000 0.659 155 A N 1.171 123.950 122.820 -0.069 0.000 2.540 155 A HA 0.044 4.364 4.320 0.000 0.000 0.239 155 A C 0.231 177.796 177.584 -0.032 0.000 1.061 155 A CA 0.222 52.196 52.037 -0.105 0.000 0.758 155 A CB 0.237 19.123 19.000 -0.189 0.000 0.991 155 A HN 0.292 nan 8.150 nan 0.000 0.502 156 E N 3.126 123.304 120.200 -0.036 0.000 2.130 156 E HA 0.370 4.720 4.350 0.000 0.000 0.284 156 E C -2.332 174.252 176.600 -0.027 0.000 1.018 156 E CA -2.148 54.254 56.400 0.003 0.000 0.817 156 E CB 0.746 30.444 29.700 -0.002 0.000 1.078 156 E HN 0.441 nan 8.360 nan 0.000 0.396 157 P HA 0.017 nan 4.420 nan 0.000 0.271 157 P C -0.615 176.646 177.300 -0.066 0.000 1.216 157 P CA -0.053 62.998 63.100 -0.082 0.000 0.771 157 P CB 0.702 32.303 31.700 -0.166 0.000 0.864 158 D N 3.428 123.788 120.400 -0.067 0.000 2.441 158 D HA 0.081 4.721 4.640 0.000 0.000 0.221 158 D C 1.201 177.467 176.300 -0.058 0.000 1.156 158 D CA -0.465 53.504 54.000 -0.052 0.000 0.896 158 D CB 0.322 41.094 40.800 -0.046 0.000 1.028 158 D HN 0.007 nan 8.370 nan 0.000 0.509 159 I N 3.947 124.482 120.570 -0.058 0.000 2.118 159 I HA -0.291 3.879 4.170 0.000 0.000 0.241 159 I C 2.601 178.690 176.117 -0.048 0.000 1.070 159 I CA 1.528 62.790 61.300 -0.064 0.000 1.327 159 I CB -0.693 37.269 38.000 -0.062 0.000 1.034 159 I HN 0.512 nan 8.210 nan 0.000 0.405 160 A N 0.508 123.307 122.820 -0.035 0.000 1.869 160 A HA -0.274 4.046 4.320 0.000 0.000 0.218 160 A C 2.552 180.122 177.584 -0.023 0.000 1.203 160 A CA 2.869 54.892 52.037 -0.024 0.000 0.638 160 A CB -1.446 17.543 19.000 -0.019 0.000 0.831 160 A HN 0.450 nan 8.150 nan 0.000 0.450 161 A N -0.640 122.164 122.820 -0.026 0.000 1.869 161 A HA -0.160 4.160 4.320 0.000 0.000 0.218 161 A C 2.176 179.746 177.584 -0.025 0.000 1.203 161 A CA 2.159 54.181 52.037 -0.024 0.000 0.638 161 A CB -0.945 18.037 19.000 -0.030 0.000 0.831 161 A HN 0.925 nan 8.150 nan 0.000 0.450 162 L N -0.174 121.027 121.223 -0.037 0.000 1.997 162 L HA -0.195 4.146 4.340 0.000 0.000 0.216 162 L C 2.725 179.577 176.870 -0.030 0.000 1.074 162 L CA 2.599 57.414 54.840 -0.041 0.000 0.763 162 L CB -1.150 40.867 42.059 -0.069 0.000 0.890 162 L HN 0.418 nan 8.230 nan 0.000 0.434 163 A N -1.044 121.759 122.820 -0.028 0.000 1.908 163 A HA -0.291 4.029 4.320 0.000 0.000 0.218 163 A C 2.319 179.905 177.584 0.002 0.000 1.181 163 A CA 1.988 54.020 52.037 -0.008 0.000 0.627 163 A CB -0.726 18.273 19.000 -0.001 0.000 0.818 163 A HN 0.683 nan 8.150 nan 0.000 0.445 164 E N -0.147 120.051 120.200 -0.002 0.000 2.006 164 E HA -0.135 4.215 4.350 0.000 0.000 0.192 164 E C 1.983 178.585 176.600 0.003 0.000 0.993 164 E CA 1.069 57.469 56.400 0.000 0.000 0.808 164 E CB -0.278 29.420 29.700 -0.003 0.000 0.764 164 E HN 0.565 nan 8.360 nan 0.000 0.449 165 L N 0.735 121.961 121.223 0.004 0.000 2.129 165 L HA -0.216 4.125 4.340 0.000 0.000 0.212 165 L C 2.701 179.588 176.870 0.027 0.000 1.087 165 L CA 1.049 55.901 54.840 0.019 0.000 0.757 165 L CB -0.539 41.532 42.059 0.020 0.000 0.896 165 L HN 0.282 nan 8.230 nan 0.000 0.434 166 A N 0.057 122.880 122.820 0.004 0.000 1.902 166 A HA -0.175 4.146 4.320 0.000 0.000 0.217 166 A C 2.551 180.119 177.584 -0.027 0.000 1.181 166 A CA 1.784 53.808 52.037 -0.021 0.000 0.623 166 A CB -0.640 18.340 19.000 -0.034 0.000 0.818 166 A HN 0.408 nan 8.150 nan 0.000 0.443 167 A N -0.799 122.013 122.820 -0.013 0.000 1.898 167 A HA 0.054 4.375 4.320 0.000 0.000 0.216 167 A C 1.957 179.536 177.584 -0.008 0.000 1.181 167 A CA 1.625 53.652 52.037 -0.017 0.000 0.620 167 A CB -0.470 18.522 19.000 -0.013 0.000 0.819 167 A HN 0.389 nan 8.150 nan 0.000 0.442 168 L N -0.879 120.349 121.223 0.008 0.000 2.156 168 L HA -0.081 4.259 4.340 0.000 0.000 0.208 168 L C 2.444 179.341 176.870 0.045 0.000 1.095 168 L CA 1.817 56.669 54.840 0.021 0.000 0.770 168 L CB -0.457 41.616 42.059 0.024 0.000 0.914 168 L HN 0.486 nan 8.230 nan 0.000 0.439 169 Q N -2.513 117.329 119.800 0.070 0.000 2.384 169 Q HA 0.163 4.503 4.340 0.000 0.000 0.264 169 Q C 2.009 178.064 176.000 0.092 0.000 0.825 169 Q CA -0.031 55.862 55.803 0.151 0.000 0.984 169 Q CB 0.489 29.387 28.738 0.266 0.000 1.183 169 Q HN 0.331 nan 8.270 nan 0.000 0.537 170 L N 0.831 122.002 121.223 -0.087 0.000 2.084 170 L HA 0.011 4.351 4.340 0.000 0.000 0.202 170 L C 2.246 178.967 176.870 -0.250 0.000 1.074 170 L CA 0.613 55.208 54.840 -0.408 0.000 0.757 170 L CB -0.102 41.705 42.059 -0.421 0.000 0.918 170 L HN 0.256 nan 8.230 nan 0.000 0.444 171 L N 0.332 121.473 121.223 -0.137 0.000 1.997 171 L HA -0.230 4.110 4.340 0.000 0.000 0.216 171 L C -0.395 176.430 176.870 -0.075 0.000 1.074 171 L CA 1.993 56.776 54.840 -0.095 0.000 0.763 171 L CB -1.340 40.683 42.059 -0.061 0.000 0.890 171 L HN 0.183 nan 8.230 nan 0.000 0.434 172 P HA -0.205 nan 4.420 nan 0.000 0.216 172 P C 1.225 178.513 177.300 -0.021 0.000 1.157 172 P CA 1.460 64.547 63.100 -0.020 0.000 0.880 172 P CB -0.132 31.572 31.700 0.007 0.000 0.791 173 R N -0.795 119.682 120.500 -0.039 0.000 2.075 173 R HA 0.012 4.352 4.340 0.000 0.000 0.232 173 R C 2.403 178.672 176.300 -0.052 0.000 1.126 173 R CA 1.034 57.117 56.100 -0.028 0.000 0.963 173 R CB -1.648 28.624 30.300 -0.046 0.000 0.858 173 R HN 0.314 nan 8.270 nan 0.000 0.435 174 L N 1.381 122.546 121.223 -0.097 0.000 2.127 174 L HA -0.197 4.143 4.340 0.000 0.000 0.211 174 L C 1.936 178.781 176.870 -0.042 0.000 1.089 174 L CA 1.121 55.914 54.840 -0.078 0.000 0.757 174 L CB -0.493 41.508 42.059 -0.096 0.000 0.899 174 L HN 0.203 nan 8.230 nan 0.000 0.434 175 N N 0.191 118.869 118.700 -0.036 0.000 2.166 175 N HA -0.188 4.553 4.740 0.000 0.000 0.186 175 N C 1.608 177.112 175.510 -0.010 0.000 1.019 175 N CA 1.269 54.306 53.050 -0.021 0.000 0.856 175 N CB -0.164 38.312 38.487 -0.019 0.000 0.993 175 N HN 0.506 nan 8.380 nan 0.000 0.426 176 E N 0.299 120.496 120.200 -0.004 0.000 2.268 176 E HA 0.083 4.433 4.350 0.000 0.000 0.195 176 E C 1.116 177.720 176.600 0.008 0.000 0.995 176 E CA 0.545 56.949 56.400 0.007 0.000 0.836 176 E CB 0.148 29.859 29.700 0.019 0.000 0.763 176 E HN 0.370 nan 8.360 nan 0.000 0.491 177 G N 0.291 109.093 108.800 0.002 0.000 2.332 177 G HA2 0.024 3.984 3.960 0.000 0.000 0.265 177 G HA3 0.024 3.984 3.960 0.000 0.000 0.265 177 G C -1.692 173.212 174.900 0.006 0.000 1.329 177 G CA -0.844 44.260 45.100 0.006 0.000 0.949 177 G HN 0.052 nan 8.290 nan 0.000 0.476 178 L N 0.570 121.804 121.223 0.019 0.000 2.490 178 L HA 0.590 4.930 4.340 0.000 0.000 0.274 178 L C 0.134 177.025 176.870 0.036 0.000 1.201 178 L CA 0.020 54.878 54.840 0.029 0.000 0.869 178 L CB 0.989 43.074 42.059 0.045 0.000 1.123 178 L HN 0.601 nan 8.230 nan 0.000 0.484 179 V N 6.340 126.268 119.914 0.024 0.000 2.588 179 V HA 0.457 4.577 4.120 0.000 0.000 0.304 179 V C -0.337 175.783 176.094 0.044 0.000 1.042 179 V CA -0.700 61.609 62.300 0.014 0.000 0.877 179 V CB 1.749 33.516 31.823 -0.094 0.000 0.996 179 V HN 0.496 nan 8.190 nan 0.000 0.425 180 I N 3.687 124.308 120.570 0.085 0.000 2.355 180 I HA 0.574 4.745 4.170 0.000 0.000 0.288 180 I C 0.214 176.315 176.117 -0.027 0.000 0.999 180 I CA 0.201 61.568 61.300 0.112 0.000 1.163 180 I CB 1.263 39.423 38.000 0.267 0.000 1.316 180 I HN 0.673 nan 8.210 nan 0.000 0.454 181 T N 4.831 119.353 114.554 -0.053 0.000 2.864 181 T HA 0.563 4.914 4.350 0.000 0.000 0.289 181 T C -0.410 174.241 174.700 -0.082 0.000 1.082 181 T CA -0.429 61.583 62.100 -0.147 0.000 1.009 181 T CB 1.529 70.359 68.868 -0.062 0.000 1.234 181 T HN 0.437 nan 8.240 nan 0.000 0.526 182 Q N 0.152 119.892 119.800 -0.101 0.000 2.317 182 Q HA 0.674 5.014 4.340 0.000 0.000 0.229 182 Q C 0.374 176.386 176.000 0.021 0.000 0.984 182 Q CA -0.390 55.408 55.803 -0.008 0.000 0.911 182 Q CB 0.839 29.580 28.738 0.006 0.000 1.217 182 Q HN 0.822 nan 8.270 nan 0.000 0.501 183 G N -0.761 108.087 108.800 0.080 0.000 2.714 183 G HA2 0.511 4.471 3.960 0.000 0.000 0.292 183 G HA3 0.511 4.471 3.960 0.000 0.000 0.292 183 G C -0.786 174.254 174.900 0.234 0.000 1.308 183 G CA -0.591 44.574 45.100 0.108 0.000 0.964 183 G HN 0.629 nan 8.290 nan 0.000 0.484 184 F N -1.468 118.492 119.950 0.017 0.000 2.611 184 F HA -0.240 4.288 4.527 0.000 0.000 0.542 184 F C 0.271 176.080 175.800 0.015 0.000 0.522 184 F CA 1.461 59.478 58.000 0.029 0.000 0.997 184 F CB -1.715 37.303 39.000 0.030 0.000 1.739 184 F HN 0.734 nan 8.300 nan 0.000 0.263 185 I N -0.449 120.041 120.570 -0.134 0.000 2.750 185 I HA 0.902 5.072 4.170 0.000 0.000 0.308 185 I C 0.467 176.488 176.117 -0.159 0.000 1.016 185 I CA -0.125 61.019 61.300 -0.259 0.000 1.098 185 I CB 1.803 39.694 38.000 -0.182 0.000 1.279 185 I HN 0.322 nan 8.210 nan 0.000 0.454 186 G N 1.918 110.614 108.800 -0.174 0.000 2.682 186 G HA2 0.654 4.614 3.960 0.000 0.000 0.303 186 G HA3 0.654 4.614 3.960 0.000 0.000 0.303 186 G C -1.633 173.186 174.900 -0.136 0.000 1.341 186 G CA -0.341 44.677 45.100 -0.137 0.000 0.784 186 G HN 1.016 nan 8.290 nan 0.000 0.497 187 S N -0.979 114.649 115.700 -0.120 0.000 2.546 187 S HA 0.693 5.163 4.470 0.000 0.000 0.274 187 S C -0.695 173.834 174.600 -0.119 0.000 1.121 187 S CA -0.637 57.498 58.200 -0.108 0.000 0.887 187 S CB 2.530 65.688 63.200 -0.071 0.000 1.094 187 S HN 0.965 nan 8.310 nan 0.000 0.474 188 E N 1.360 121.483 120.200 -0.128 0.000 2.280 188 E HA 0.209 4.559 4.350 0.000 0.000 0.261 188 E C 0.812 177.377 176.600 -0.060 0.000 1.088 188 E CA -0.516 55.811 56.400 -0.123 0.000 0.915 188 E CB 0.934 30.526 29.700 -0.181 0.000 1.141 188 E HN 0.737 nan 8.360 nan 0.000 0.433 189 N N 1.979 120.651 118.700 -0.048 0.000 2.091 189 N HA -0.240 4.500 4.740 0.000 0.000 0.193 189 N C 0.948 176.453 175.510 -0.008 0.000 1.021 189 N CA 2.116 55.151 53.050 -0.025 0.000 0.862 189 N CB -0.094 38.382 38.487 -0.019 0.000 1.018 189 N HN 0.411 nan 8.380 nan 0.000 0.429 190 K N -0.965 119.438 120.400 0.006 0.000 2.569 190 K HA 0.138 4.458 4.320 0.000 0.000 0.193 190 K C 0.944 177.561 176.600 0.027 0.000 1.026 190 K CA 0.487 56.788 56.287 0.024 0.000 1.093 190 K CB -0.177 32.350 32.500 0.046 0.000 0.849 190 K HN 0.474 nan 8.250 nan 0.000 0.509 191 G N 1.577 110.385 108.800 0.012 0.000 2.253 191 G HA2 -0.317 3.643 3.960 0.000 0.000 0.251 191 G HA3 -0.317 3.643 3.960 0.000 0.000 0.251 191 G C 0.097 175.013 174.900 0.027 0.000 0.998 191 G CA -0.049 45.058 45.100 0.012 0.000 0.621 191 G HN 0.274 nan 8.290 nan 0.000 0.524 192 R N 1.499 122.042 120.500 0.071 0.000 2.679 192 R HA 0.504 4.844 4.340 0.000 0.000 0.268 192 R C 0.916 177.265 176.300 0.082 0.000 1.044 192 R CA 0.669 56.851 56.100 0.136 0.000 1.105 192 R CB 0.185 30.694 30.300 0.348 0.000 0.989 192 R HN 0.195 nan 8.270 nan 0.000 0.447 193 T N 1.114 115.721 114.554 0.088 0.000 2.898 193 T HA 0.262 4.612 4.350 0.000 0.000 0.301 193 T C 0.221 174.924 174.700 0.004 0.000 1.049 193 T CA 0.185 62.289 62.100 0.008 0.000 1.095 193 T CB 0.840 69.697 68.868 -0.018 0.000 0.976 193 T HN 0.526 nan 8.240 nan 0.000 0.539 194 T N 0.980 115.456 114.554 -0.129 0.000 2.853 194 T HA 0.649 4.999 4.350 0.000 0.000 0.311 194 T C -0.857 173.685 174.700 -0.263 0.000 1.307 194 T CA -0.712 61.254 62.100 -0.223 0.000 1.019 194 T CB 1.568 70.192 68.868 -0.406 0.000 1.264 194 T HN 0.793 nan 8.240 nan 0.000 0.497 195 T N 0.814 115.192 114.554 -0.293 0.000 2.930 195 T HA 0.633 4.984 4.350 0.000 0.000 0.290 195 T C 0.695 175.248 174.700 -0.245 0.000 1.052 195 T CA -0.910 60.901 62.100 -0.481 0.000 1.017 195 T CB 1.215 69.591 68.868 -0.820 0.000 1.137 195 T HN 0.448 nan 8.240 nan 0.000 0.511 196 L N 0.952 122.086 121.223 -0.148 0.000 2.667 196 L HA 0.488 4.828 4.340 0.000 0.000 0.232 196 L C 1.412 178.390 176.870 0.179 0.000 1.138 196 L CA 0.032 54.935 54.840 0.105 0.000 0.921 196 L CB -0.761 41.450 42.059 0.254 0.000 1.180 196 L HN 1.261 nan 8.230 nan 0.000 0.487 197 G N 1.543 110.490 108.800 0.245 0.000 2.795 197 G HA2 -0.231 3.730 3.960 0.000 0.000 0.664 197 G HA3 -0.231 3.730 3.960 0.000 0.000 0.664 197 G C -0.168 174.851 174.900 0.199 0.000 1.381 197 G CA -0.587 44.637 45.100 0.206 0.000 0.853 197 G HN 0.473 nan 8.290 nan 0.000 0.545 198 R N 0.325 120.854 120.500 0.050 0.000 2.583 198 R HA 0.406 4.746 4.340 0.000 0.000 0.274 198 R C 1.376 177.632 176.300 -0.072 0.000 0.998 198 R CA 0.698 56.771 56.100 -0.045 0.000 1.081 198 R CB 0.073 30.333 30.300 -0.066 0.000 0.940 198 R HN 2.649 nan 8.270 nan 0.000 0.413 199 G N 1.757 110.515 108.800 -0.070 0.000 2.213 199 G HA2 -0.314 3.646 3.960 0.000 0.000 0.236 199 G HA3 -0.314 3.646 3.960 0.000 0.000 0.236 199 G C 1.042 175.980 174.900 0.064 0.000 0.991 199 G CA 0.347 45.426 45.100 -0.035 0.000 0.629 199 G HN 0.909 nan 8.290 nan 0.000 0.517 200 G N 1.019 109.910 108.800 0.153 0.000 2.679 200 G HA2 -0.278 3.682 3.960 0.000 0.000 0.222 200 G HA3 -0.278 3.682 3.960 0.000 0.000 0.222 200 G C 2.009 177.072 174.900 0.272 0.000 1.164 200 G CA 2.317 47.631 45.100 0.355 0.000 0.769 200 G HN 1.159 nan 8.290 nan 0.000 0.610 201 S N 0.738 116.537 115.700 0.164 0.000 2.359 201 S HA -0.123 4.347 4.470 0.000 0.000 0.224 201 S C 1.992 176.644 174.600 0.086 0.000 1.035 201 S CA 1.544 59.811 58.200 0.111 0.000 1.018 201 S CB -0.352 62.875 63.200 0.046 0.000 0.876 201 S HN 0.514 nan 8.310 nan 0.000 0.448 202 D N -0.021 120.427 120.400 0.079 0.000 2.117 202 D HA -0.102 4.539 4.640 0.000 0.000 0.198 202 D C 1.727 178.109 176.300 0.137 0.000 0.982 202 D CA 0.979 55.021 54.000 0.070 0.000 0.828 202 D CB -0.323 40.507 40.800 0.050 0.000 0.967 202 D HN 0.354 nan 8.370 nan 0.000 0.464 203 Y N 2.325 122.630 120.300 0.008 0.000 2.165 203 Y HA -0.215 4.335 4.550 0.000 0.000 0.286 203 Y C 2.454 178.351 175.900 -0.006 0.000 1.155 203 Y CA 1.185 59.287 58.100 0.003 0.000 1.164 203 Y CB -0.706 37.764 38.460 0.016 0.000 0.978 203 Y HN -0.109 nan 8.280 nan 0.000 0.513 204 T N 0.498 115.078 114.554 0.044 0.000 2.674 204 T HA -0.190 4.160 4.350 0.000 0.000 0.265 204 T C 2.182 176.845 174.700 -0.062 0.000 1.039 204 T CA 1.766 63.830 62.100 -0.061 0.000 1.150 204 T CB -0.920 67.948 68.868 0.001 0.000 0.864 204 T HN 0.429 nan 8.240 nan 0.000 0.427 205 A N 1.506 124.316 122.820 -0.018 0.000 1.958 205 A HA -0.083 4.238 4.320 0.000 0.000 0.221 205 A C 2.572 180.128 177.584 -0.047 0.000 1.178 205 A CA 2.292 54.312 52.037 -0.029 0.000 0.642 205 A CB -1.132 17.857 19.000 -0.019 0.000 0.816 205 A HN 0.555 nan 8.150 nan 0.000 0.453 206 A N -0.691 122.104 122.820 -0.042 0.000 1.854 206 A HA 0.105 4.425 4.320 0.000 0.000 0.214 206 A C 2.133 179.649 177.584 -0.113 0.000 1.192 206 A CA 1.375 53.376 52.037 -0.061 0.000 0.611 206 A CB -0.613 18.378 19.000 -0.015 0.000 0.832 206 A HN 0.443 nan 8.150 nan 0.000 0.442 207 L N -0.798 120.319 121.223 -0.177 0.000 2.046 207 L HA -0.185 4.155 4.340 0.000 0.000 0.208 207 L C 2.393 179.175 176.870 -0.148 0.000 1.077 207 L CA 0.822 55.536 54.840 -0.209 0.000 0.747 207 L CB -0.615 41.246 42.059 -0.329 0.000 0.896 207 L HN 0.256 nan 8.230 nan 0.000 0.432 208 L N -0.269 120.880 121.223 -0.124 0.000 2.046 208 L HA -0.150 4.190 4.340 0.000 0.000 0.208 208 L C 2.717 179.535 176.870 -0.087 0.000 1.077 208 L CA 1.994 56.775 54.840 -0.099 0.000 0.747 208 L CB -1.287 40.718 42.059 -0.089 0.000 0.896 208 L HN 0.212 nan 8.230 nan 0.000 0.432 209 A N -0.953 121.817 122.820 -0.084 0.000 1.902 209 A HA -0.260 4.060 4.320 0.000 0.000 0.217 209 A C 2.352 179.878 177.584 -0.097 0.000 1.181 209 A CA 1.782 53.774 52.037 -0.074 0.000 0.623 209 A CB -0.569 18.390 19.000 -0.068 0.000 0.818 209 A HN 0.516 nan 8.150 nan 0.000 0.443 210 E N -0.147 119.979 120.200 -0.123 0.000 2.106 210 E HA -0.085 4.266 4.350 0.000 0.000 0.192 210 E C 1.941 178.426 176.600 -0.192 0.000 0.984 210 E CA 0.963 57.262 56.400 -0.169 0.000 0.806 210 E CB -0.231 29.376 29.700 -0.154 0.000 0.750 210 E HN 0.524 nan 8.360 nan 0.000 0.458 211 A N 0.418 123.167 122.820 -0.118 0.000 2.119 211 A HA 0.037 4.357 4.320 0.000 0.000 0.216 211 A C 1.782 179.389 177.584 0.037 0.000 1.152 211 A CA 0.512 52.513 52.037 -0.060 0.000 0.708 211 A CB -0.033 18.933 19.000 -0.058 0.000 0.805 211 A HN 0.303 nan 8.150 nan 0.000 0.460 212 L N -1.835 119.407 121.223 0.030 0.000 2.808 212 L HA 0.215 4.555 4.340 0.000 0.000 0.246 212 L C -0.113 176.877 176.870 0.200 0.000 1.153 212 L CA -0.451 54.449 54.840 0.099 0.000 0.956 212 L CB -0.278 41.781 42.059 0.000 0.000 1.270 212 L HN 0.488 nan 8.230 nan 0.000 0.528 213 H N -0.316 118.724 119.070 -0.050 0.000 2.692 213 H HA -0.157 4.399 4.556 0.000 0.000 0.316 213 H C 0.793 176.096 175.328 -0.042 0.000 1.176 213 H CA 0.302 56.324 56.048 -0.043 0.000 1.142 213 H CB -1.469 28.271 29.762 -0.038 0.000 1.475 213 H HN 0.470 nan 8.280 nan 0.000 0.423 214 A N 0.475 123.307 122.820 0.021 0.000 2.483 214 A HA 0.383 4.703 4.320 0.000 0.000 0.238 214 A C 1.588 179.170 177.584 -0.003 0.000 1.070 214 A CA 0.223 52.261 52.037 0.001 0.000 0.770 214 A CB 0.309 19.295 19.000 -0.023 0.000 1.008 214 A HN 0.727 nan 8.150 nan 0.000 0.497 215 S N 1.154 116.852 115.700 -0.003 0.000 2.470 215 S HA 0.161 4.631 4.470 0.000 0.000 0.225 215 S C 0.774 175.365 174.600 -0.015 0.000 1.006 215 S CA 0.701 58.897 58.200 -0.007 0.000 0.934 215 S CB -0.035 63.161 63.200 -0.006 0.000 0.778 215 S HN 0.865 nan 8.310 nan 0.000 0.517 216 R N -0.710 119.779 120.500 -0.018 0.000 2.690 216 R HA 0.547 4.888 4.340 0.000 0.000 0.269 216 R C -2.505 173.784 176.300 -0.019 0.000 1.037 216 R CA -0.550 55.539 56.100 -0.019 0.000 0.877 216 R CB 1.641 31.927 30.300 -0.023 0.000 1.255 216 R HN 0.102 nan 8.270 nan 0.000 0.467 217 V N 2.501 122.407 119.914 -0.013 0.000 2.525 217 V HA 0.361 4.481 4.120 0.000 0.000 0.299 217 V C -1.245 174.844 176.094 -0.009 0.000 1.034 217 V CA -0.886 61.404 62.300 -0.018 0.000 0.863 217 V CB 1.855 33.660 31.823 -0.030 0.000 0.999 217 V HN 0.660 nan 8.190 nan 0.000 0.423 218 D N 4.737 125.123 120.400 -0.023 0.000 2.280 218 D HA 0.548 5.188 4.640 0.000 0.000 0.236 218 D C -0.375 175.801 176.300 -0.207 0.000 1.082 218 D CA -0.000 53.953 54.000 -0.078 0.000 0.834 218 D CB 2.151 42.940 40.800 -0.019 0.000 1.100 218 D HN 0.366 nan 8.370 nan 0.000 0.486 219 I N 2.406 122.796 120.570 -0.299 0.000 2.359 219 I HA 0.244 4.414 4.170 0.000 0.000 0.284 219 I C -0.629 175.242 176.117 -0.409 0.000 1.018 219 I CA -0.858 60.279 61.300 -0.272 0.000 1.173 219 I CB 0.960 38.866 38.000 -0.156 0.000 1.326 219 I HN 0.157 nan 8.210 nan 0.000 0.462 220 W N 6.529 127.707 121.300 -0.204 0.000 2.387 220 W HA 0.362 5.022 4.660 0.000 0.000 0.310 220 W C 0.841 177.336 176.519 -0.041 0.000 1.181 220 W CA -0.249 57.034 57.345 -0.102 0.000 1.333 220 W CB 0.997 30.379 29.460 -0.130 0.000 1.286 220 W HN 0.450 nan 8.180 nan 0.000 0.455 221 T N -2.015 112.602 114.554 0.104 0.000 2.708 221 T HA 0.287 4.637 4.350 0.000 0.000 0.256 221 T C 0.351 175.107 174.700 0.094 0.000 0.946 221 T CA -0.684 61.450 62.100 0.056 0.000 1.039 221 T CB 1.069 69.902 68.868 -0.057 0.000 1.557 221 T HN 0.262 nan 8.240 nan 0.000 0.576 222 D N 0.255 120.679 120.400 0.039 0.000 2.368 222 D HA 0.333 4.973 4.640 0.000 0.000 0.218 222 D C -0.272 176.050 176.300 0.037 0.000 1.112 222 D CA 0.193 54.222 54.000 0.049 0.000 0.834 222 D CB 0.527 41.342 40.800 0.025 0.000 0.953 222 D HN 0.188 nan 8.370 nan 0.000 0.505 223 V N 2.187 122.114 119.914 0.022 0.000 2.709 223 V HA 0.194 4.314 4.120 0.000 0.000 0.308 223 V C -1.863 174.252 176.094 0.035 0.000 1.062 223 V CA -1.453 60.863 62.300 0.028 0.000 0.901 223 V CB 2.878 34.702 31.823 0.002 0.000 1.003 223 V HN -0.193 nan 8.190 nan 0.000 0.425 224 P HA 0.125 nan 4.420 nan 0.000 0.251 224 P C 0.618 177.921 177.300 0.005 0.000 1.251 224 P CA 1.301 64.459 63.100 0.098 0.000 0.763 224 P CB 0.182 31.997 31.700 0.191 0.000 1.067 225 G N -0.110 108.670 108.800 -0.033 0.000 2.343 225 G HA2 -0.059 3.901 3.960 0.000 0.000 0.562 225 G HA3 -0.059 3.901 3.960 0.000 0.000 0.562 225 G C -1.274 173.588 174.900 -0.063 0.000 1.269 225 G CA -0.905 44.107 45.100 -0.146 0.000 1.011 225 G HN 0.072 nan 8.290 nan 0.000 0.498 226 I N 0.556 121.037 120.570 -0.149 0.000 2.385 226 I HA 0.537 4.707 4.170 0.000 0.000 0.294 226 I C -0.296 175.657 176.117 -0.273 0.000 0.988 226 I CA -0.636 60.619 61.300 -0.075 0.000 1.265 226 I CB 1.134 39.108 38.000 -0.044 0.000 1.388 226 I HN 0.440 nan 8.210 nan 0.000 0.480 227 Y N 1.964 122.231 120.300 -0.056 0.000 2.528 227 Y HA 0.174 4.724 4.550 0.000 0.000 0.335 227 Y C 1.725 177.554 175.900 -0.117 0.000 1.093 227 Y CA -0.703 57.353 58.100 -0.074 0.000 1.134 227 Y CB 1.601 40.023 38.460 -0.063 0.000 1.253 227 Y HN 0.693 nan 8.280 nan 0.000 0.478 228 T N -2.878 111.661 114.554 -0.025 0.000 2.822 228 T HA -0.050 4.300 4.350 0.000 0.000 0.270 228 T C 0.405 175.004 174.700 -0.168 0.000 1.064 228 T CA 1.870 63.806 62.100 -0.273 0.000 1.131 228 T CB -0.378 68.250 68.868 -0.399 0.000 0.858 228 T HN 0.621 nan 8.240 nan 0.000 0.483 229 T N 0.386 114.927 114.554 -0.022 0.000 2.718 229 T HA 0.359 4.709 4.350 0.000 0.000 0.306 229 T C -1.830 172.837 174.700 -0.056 0.000 1.485 229 T CA -0.970 61.102 62.100 -0.047 0.000 0.997 229 T CB 1.694 70.485 68.868 -0.130 0.000 1.504 229 T HN 0.170 nan 8.240 nan 0.000 0.497 230 D N 1.459 121.814 120.400 -0.076 0.000 2.382 230 D HA 0.240 4.880 4.640 0.000 0.000 0.259 230 D C -1.557 174.655 176.300 -0.147 0.000 1.224 230 D CA -1.771 52.173 54.000 -0.093 0.000 0.894 230 D CB 1.209 41.965 40.800 -0.074 0.000 1.127 230 D HN -0.014 nan 8.370 nan 0.000 0.487 231 P HA -0.134 nan 4.420 nan 0.000 0.217 231 P C 0.828 178.033 177.300 -0.159 0.000 1.148 231 P CA 1.180 64.141 63.100 -0.232 0.000 0.828 231 P CB 0.179 31.663 31.700 -0.361 0.000 0.783 232 R N -1.301 119.120 120.500 -0.130 0.000 2.316 232 R HA 0.028 4.368 4.340 0.000 0.000 0.202 232 R C 1.512 177.765 176.300 -0.079 0.000 1.029 232 R CA 0.536 56.581 56.100 -0.092 0.000 1.018 232 R CB -0.268 29.987 30.300 -0.075 0.000 0.888 232 R HN 0.189 nan 8.270 nan 0.000 0.471 233 V N -0.990 118.866 119.914 -0.095 0.000 2.806 233 V HA 0.074 4.194 4.120 0.000 0.000 0.239 233 V C 0.475 176.509 176.094 -0.101 0.000 1.113 233 V CA 0.482 62.732 62.300 -0.083 0.000 1.137 233 V CB 1.242 33.017 31.823 -0.081 0.000 0.865 233 V HN 0.006 nan 8.190 nan 0.000 0.482 234 V N 1.197 121.012 119.914 -0.165 0.000 2.380 234 V HA 0.294 4.414 4.120 0.000 0.000 0.272 234 V C 1.328 177.317 176.094 -0.175 0.000 1.011 234 V CA 0.333 62.513 62.300 -0.200 0.000 0.826 234 V CB 1.195 32.767 31.823 -0.418 0.000 1.040 234 V HN 0.542 nan 8.190 nan 0.000 0.441 235 S N 4.635 120.277 115.700 -0.097 0.000 2.413 235 S HA -0.229 4.241 4.470 0.000 0.000 0.237 235 S C 1.835 176.414 174.600 -0.035 0.000 1.044 235 S CA 1.674 59.832 58.200 -0.069 0.000 1.024 235 S CB -0.444 62.734 63.200 -0.038 0.000 0.829 235 S HN 1.546 nan 8.310 nan 0.000 0.475 236 A N 1.716 124.535 122.820 -0.002 0.000 2.248 236 A HA 0.541 4.861 4.320 0.000 0.000 0.210 236 A C 1.259 178.928 177.584 0.141 0.000 1.174 236 A CA 0.550 52.637 52.037 0.084 0.000 0.750 236 A CB -1.249 17.840 19.000 0.150 0.000 0.780 236 A HN 0.997 nan 8.150 nan 0.000 0.478 237 A N 0.971 123.809 122.820 0.029 0.000 2.563 237 A HA 0.267 4.587 4.320 0.000 0.000 0.256 237 A C 0.453 178.160 177.584 0.204 0.000 1.056 237 A CA 0.313 52.399 52.037 0.081 0.000 0.775 237 A CB -0.219 18.744 19.000 -0.063 0.000 0.973 237 A HN 0.580 nan 8.150 nan 0.000 0.516 238 K N 2.037 122.569 120.400 0.221 0.000 2.087 238 K HA 0.403 4.723 4.320 0.000 0.000 0.255 238 K C 0.313 177.007 176.600 0.157 0.000 0.988 238 K CA -0.696 55.701 56.287 0.183 0.000 0.915 238 K CB 1.235 33.794 32.500 0.098 0.000 1.043 238 K HN 0.731 nan 8.250 nan 0.000 0.457 239 R N 1.976 122.473 120.500 -0.005 0.000 2.357 239 R HA 0.242 4.582 4.340 0.000 0.000 0.296 239 R C -0.534 175.592 176.300 -0.290 0.000 1.052 239 R CA -0.406 55.410 56.100 -0.473 0.000 0.988 239 R CB 0.464 30.471 30.300 -0.488 0.000 1.025 239 R HN 0.563 nan 8.270 nan 0.000 0.469 240 I N 4.780 125.144 120.570 -0.343 0.000 2.337 240 I HA 0.002 4.173 4.170 0.000 0.000 0.291 240 I C 0.439 176.446 176.117 -0.183 0.000 1.046 240 I CA -0.402 60.778 61.300 -0.201 0.000 1.324 240 I CB 1.396 39.289 38.000 -0.178 0.000 1.409 240 I HN 0.647 nan 8.210 nan 0.000 0.494 241 D N 4.537 124.870 120.400 -0.112 0.000 2.085 241 D HA -0.036 4.604 4.640 0.000 0.000 0.199 241 D C 0.305 176.563 176.300 -0.070 0.000 0.981 241 D CA 1.494 55.447 54.000 -0.078 0.000 0.834 241 D CB 0.264 41.044 40.800 -0.034 0.000 0.992 241 D HN 0.551 nan 8.370 nan 0.000 0.457 242 E N 0.007 120.174 120.200 -0.056 0.000 2.187 242 E HA 0.539 4.889 4.350 0.000 0.000 0.268 242 E C -0.654 175.907 176.600 -0.066 0.000 0.896 242 E CA -0.420 55.949 56.400 -0.050 0.000 0.766 242 E CB 2.897 32.582 29.700 -0.025 0.000 1.142 242 E HN 0.061 nan 8.360 nan 0.000 0.408 243 I N 1.533 122.051 120.570 -0.087 0.000 2.608 243 I HA 0.553 4.723 4.170 0.000 0.000 0.295 243 I C -0.825 175.228 176.117 -0.106 0.000 1.049 243 I CA -0.764 60.468 61.300 -0.114 0.000 1.063 243 I CB 1.445 39.339 38.000 -0.177 0.000 1.248 243 I HN 0.653 nan 8.210 nan 0.000 0.424 244 A N 5.105 127.857 122.820 -0.113 0.000 2.371 244 A HA 0.176 4.496 4.320 0.000 0.000 0.257 244 A C 0.346 177.850 177.584 -0.135 0.000 1.089 244 A CA -0.189 51.790 52.037 -0.095 0.000 0.794 244 A CB 0.180 19.114 19.000 -0.109 0.000 1.029 244 A HN 0.827 nan 8.150 nan 0.000 0.488 245 F N 2.647 122.476 119.950 -0.202 0.000 2.095 245 F HA -0.165 4.362 4.527 0.000 0.000 0.298 245 F C 2.347 177.985 175.800 -0.270 0.000 1.104 245 F CA 2.223 60.092 58.000 -0.218 0.000 1.232 245 F CB -0.649 38.268 39.000 -0.138 0.000 0.987 245 F HN 0.577 nan 8.300 nan 0.000 0.475 246 A N -0.196 122.373 122.820 -0.418 0.000 1.986 246 A HA -0.254 4.066 4.320 0.000 0.000 0.220 246 A C 2.150 179.297 177.584 -0.728 0.000 1.171 246 A CA 2.147 53.818 52.037 -0.610 0.000 0.640 246 A CB -0.859 17.779 19.000 -0.603 0.000 0.811 246 A HN 0.618 nan 8.150 nan 0.000 0.451 247 E N -0.638 119.178 120.200 -0.640 0.000 2.033 247 E HA 0.033 4.383 4.350 0.000 0.000 0.189 247 E C 2.453 178.801 176.600 -0.419 0.000 0.979 247 E CA 0.679 56.812 56.400 -0.445 0.000 0.802 247 E CB -0.310 29.221 29.700 -0.281 0.000 0.763 247 E HN 0.581 nan 8.360 nan 0.000 0.449 248 A N 1.812 124.314 122.820 -0.530 0.000 1.903 248 A HA -0.264 4.056 4.320 0.000 0.000 0.219 248 A C 2.430 179.604 177.584 -0.682 0.000 1.191 248 A CA 2.139 53.718 52.037 -0.763 0.000 0.638 248 A CB -0.911 17.506 19.000 -0.972 0.000 0.823 248 A HN 0.314 nan 8.150 nan 0.000 0.451 249 A N -0.797 121.616 122.820 -0.678 0.000 1.940 249 A HA -0.152 4.168 4.320 0.000 0.000 0.219 249 A C 1.749 179.158 177.584 -0.292 0.000 1.176 249 A CA 1.673 53.410 52.037 -0.500 0.000 0.631 249 A CB -0.354 18.256 19.000 -0.650 0.000 0.814 249 A HN 0.490 nan 8.150 nan 0.000 0.446 250 E N -0.623 119.416 120.200 -0.269 0.000 2.476 250 E HA 0.106 4.456 4.350 0.000 0.000 0.191 250 E C -0.036 176.505 176.600 -0.099 0.000 1.064 250 E CA 0.026 56.340 56.400 -0.144 0.000 0.866 250 E CB -0.057 29.590 29.700 -0.088 0.000 0.952 250 E HN 0.606 nan 8.360 nan 0.000 0.492 251 M N 0.648 120.177 119.600 -0.119 0.000 2.135 251 M HA 0.183 4.663 4.480 0.000 0.000 0.345 251 M C 1.280 177.584 176.300 0.006 0.000 1.340 251 M CA -0.333 54.940 55.300 -0.046 0.000 1.162 251 M CB 1.234 33.806 32.600 -0.046 0.000 1.570 251 M HN -0.028 nan 8.290 nan 0.000 0.454 252 A N 2.599 125.412 122.820 -0.012 0.000 1.896 252 A HA -0.227 4.093 4.320 0.000 0.000 0.220 252 A C 2.007 179.590 177.584 -0.001 0.000 1.206 252 A CA 2.860 54.887 52.037 -0.017 0.000 0.647 252 A CB -1.133 17.848 19.000 -0.031 0.000 0.828 252 A HN 0.841 nan 8.150 nan 0.000 0.455 253 T N -4.234 110.330 114.554 0.016 0.000 3.085 253 T HA 0.054 4.404 4.350 0.000 0.000 0.263 253 T C 1.498 176.227 174.700 0.048 0.000 1.127 253 T CA 1.009 63.119 62.100 0.017 0.000 1.103 253 T CB -0.373 68.503 68.868 0.013 0.000 0.921 253 T HN 0.373 nan 8.240 nan 0.000 0.510 254 F N 2.410 122.312 119.950 -0.080 0.000 2.128 254 F HA 0.226 4.753 4.527 0.000 0.000 0.295 254 F C 2.440 178.185 175.800 -0.092 0.000 1.100 254 F CA 1.259 59.207 58.000 -0.086 0.000 1.260 254 F CB -0.540 38.398 39.000 -0.105 0.000 1.009 254 F HN 0.237 nan 8.300 nan 0.000 0.476 255 G N -0.174 108.644 108.800 0.031 0.000 2.402 255 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 255 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 255 G C 1.734 176.561 174.900 -0.122 0.000 1.162 255 G CA 0.752 45.786 45.100 -0.110 0.000 0.777 255 G HN 0.591 nan 8.290 nan 0.000 0.539 256 A N 1.088 123.860 122.820 -0.079 0.000 1.827 256 A HA -0.015 4.305 4.320 0.000 0.000 0.215 256 A C 2.194 179.725 177.584 -0.088 0.000 1.212 256 A CA 2.045 54.043 52.037 -0.065 0.000 0.624 256 A CB -0.580 18.393 19.000 -0.044 0.000 0.853 256 A HN 0.354 nan 8.150 nan 0.000 0.450 257 K N -0.691 119.652 120.400 -0.096 0.000 1.987 257 K HA 0.023 4.344 4.320 0.000 0.000 0.222 257 K C 1.854 178.345 176.600 -0.182 0.000 1.029 257 K CA 1.163 57.385 56.287 -0.108 0.000 1.011 257 K CB -0.966 31.485 32.500 -0.082 0.000 0.769 257 K HN 0.257 nan 8.250 nan 0.000 0.444 258 V N 1.221 120.970 119.914 -0.275 0.000 2.289 258 V HA -0.283 3.837 4.120 0.000 0.000 0.243 258 V C 0.980 176.816 176.094 -0.429 0.000 1.004 258 V CA 2.190 64.226 62.300 -0.439 0.000 1.049 258 V CB -1.252 30.052 31.823 -0.865 0.000 0.692 258 V HN 0.539 nan 8.190 nan 0.000 0.500 259 L N -4.445 116.401 121.223 -0.628 0.000 2.892 259 L HA 0.593 4.933 4.340 0.000 0.000 0.269 259 L C -0.713 176.033 176.870 -0.206 0.000 1.058 259 L CA -0.882 53.762 54.840 -0.326 0.000 0.923 259 L CB 1.457 43.380 42.059 -0.227 0.000 1.518 259 L HN 0.305 nan 8.230 nan 0.000 0.402 260 H N 0.709 119.724 119.070 -0.091 0.000 2.742 260 H HA 0.389 4.945 4.556 0.000 0.000 0.302 260 H C -1.891 173.512 175.328 0.124 0.000 1.069 260 H CA -1.236 54.817 56.048 0.009 0.000 1.446 260 H CB 1.611 31.358 29.762 -0.025 0.000 1.462 260 H HN 0.512 nan 8.280 nan 0.000 0.499 261 P HA -0.273 nan 4.420 nan 0.000 0.217 261 P C 1.052 178.669 177.300 0.528 0.000 1.151 261 P CA 1.996 65.364 63.100 0.447 0.000 0.849 261 P CB 0.127 31.892 31.700 0.108 0.000 0.787 262 A N -0.292 122.826 122.820 0.497 0.000 1.917 262 A HA -0.258 4.062 4.320 0.000 0.000 0.219 262 A C 2.306 179.927 177.584 0.062 0.000 1.182 262 A CA 2.786 54.956 52.037 0.222 0.000 0.633 262 A CB -2.108 16.898 19.000 0.010 0.000 0.819 262 A HN 0.379 nan 8.150 nan 0.000 0.448 263 T N -1.438 113.142 114.554 0.045 0.000 2.849 263 T HA -0.078 4.272 4.350 0.000 0.000 0.270 263 T C 1.555 176.375 174.700 0.199 0.000 1.066 263 T CA 1.565 63.702 62.100 0.062 0.000 1.130 263 T CB -0.528 68.390 68.868 0.084 0.000 0.864 263 T HN 0.366 nan 8.240 nan 0.000 0.481 264 L N -0.279 121.016 121.223 0.119 0.000 2.558 264 L HA 0.295 4.635 4.340 0.000 0.000 0.225 264 L C 2.349 179.087 176.870 -0.220 0.000 1.128 264 L CA -0.091 54.732 54.840 -0.029 0.000 0.868 264 L CB -0.610 41.432 42.059 -0.029 0.000 1.006 264 L HN 0.192 nan 8.230 nan 0.000 0.454 265 L N 1.791 122.913 121.223 -0.168 0.000 2.034 265 L HA -0.170 4.170 4.340 0.000 0.000 0.217 265 L C -0.421 176.359 176.870 -0.150 0.000 1.077 265 L CA 2.427 57.141 54.840 -0.210 0.000 0.769 265 L CB -1.333 40.729 42.059 0.004 0.000 0.890 265 L HN 0.119 nan 8.230 nan 0.000 0.435 266 P HA -0.144 nan 4.420 nan 0.000 0.216 266 P C 1.493 178.717 177.300 -0.127 0.000 1.150 266 P CA 1.994 65.043 63.100 -0.085 0.000 0.837 266 P CB -0.171 31.473 31.700 -0.092 0.000 0.786 267 A N -0.258 122.478 122.820 -0.140 0.000 1.841 267 A HA -0.156 4.164 4.320 0.000 0.000 0.214 267 A C 2.309 179.788 177.584 -0.175 0.000 1.195 267 A CA 2.374 54.324 52.037 -0.144 0.000 0.611 267 A CB -1.929 16.996 19.000 -0.125 0.000 0.835 267 A HN 0.130 nan 8.150 nan 0.000 0.443 268 V N 0.309 120.061 119.914 -0.270 0.000 2.287 268 V HA -0.333 3.787 4.120 0.000 0.000 0.248 268 V C 2.427 178.412 176.094 -0.181 0.000 1.053 268 V CA 2.338 64.469 62.300 -0.282 0.000 1.027 268 V CB -1.473 30.010 31.823 -0.567 0.000 0.646 268 V HN 0.740 nan 8.190 nan 0.000 0.447 269 R N 1.066 121.463 120.500 -0.171 0.000 2.249 269 R HA -0.035 4.305 4.340 0.000 0.000 0.230 269 R C 1.684 177.927 176.300 -0.094 0.000 1.121 269 R CA 1.748 57.785 56.100 -0.105 0.000 0.997 269 R CB -0.709 29.540 30.300 -0.084 0.000 0.867 269 R HN 0.528 nan 8.270 nan 0.000 0.465 270 S N 0.695 116.327 115.700 -0.113 0.000 2.568 270 S HA 0.095 4.565 4.470 0.000 0.000 0.232 270 S C -0.880 173.661 174.600 -0.098 0.000 0.975 270 S CA -0.259 57.872 58.200 -0.116 0.000 0.949 270 S CB 0.308 63.415 63.200 -0.155 0.000 0.829 270 S HN 0.371 nan 8.310 nan 0.000 0.479 271 D N 1.564 121.913 120.400 -0.086 0.000 2.735 271 D HA -0.154 4.486 4.640 0.000 0.000 0.235 271 D C -0.823 175.440 176.300 -0.061 0.000 1.175 271 D CA 0.622 54.583 54.000 -0.065 0.000 0.683 271 D CB -1.098 39.676 40.800 -0.044 0.000 1.008 271 D HN 0.440 nan 8.370 nan 0.000 0.416 272 I N 0.178 120.703 120.570 -0.075 0.000 2.420 272 I HA 0.291 4.461 4.170 0.000 0.000 0.282 272 I C -2.134 173.951 176.117 -0.053 0.000 1.019 272 I CA -2.143 59.120 61.300 -0.061 0.000 1.130 272 I CB 1.551 39.506 38.000 -0.075 0.000 1.262 272 I HN -0.215 nan 8.210 nan 0.000 0.454 273 P HA -0.008 nan 4.420 nan 0.000 0.262 273 P C -0.569 176.730 177.300 -0.002 0.000 1.182 273 P CA 0.056 63.148 63.100 -0.013 0.000 0.761 273 P CB 0.564 32.267 31.700 0.005 0.000 0.795 274 V N 5.630 125.544 119.914 0.000 0.000 2.294 274 V HA 0.224 4.344 4.120 0.000 0.000 0.272 274 V C -0.097 176.013 176.094 0.027 0.000 1.027 274 V CA -0.516 61.789 62.300 0.008 0.000 0.823 274 V CB -0.027 31.795 31.823 -0.002 0.000 1.030 274 V HN 0.417 nan 8.190 nan 0.000 0.457 275 F N 6.275 126.146 119.950 -0.132 0.000 2.445 275 F HA 0.505 5.032 4.527 0.000 0.000 0.359 275 F C 0.037 175.675 175.800 -0.270 0.000 1.101 275 F CA -0.112 57.776 58.000 -0.186 0.000 1.177 275 F CB 0.910 39.780 39.000 -0.217 0.000 1.110 275 F HN 0.265 nan 8.300 nan 0.000 0.522 276 V N 7.210 126.671 119.914 -0.755 0.000 2.328 276 V HA 0.674 4.794 4.120 0.000 0.000 0.278 276 V C 0.442 175.973 176.094 -0.939 0.000 1.021 276 V CA -0.180 61.739 62.300 -0.636 0.000 0.838 276 V CB 0.474 32.131 31.823 -0.278 0.000 0.999 276 V HN 0.991 nan 8.190 nan 0.000 0.447 277 G N 2.602 110.871 108.800 -0.885 0.000 3.140 277 G HA2 0.618 4.578 3.960 0.000 0.000 0.271 277 G HA3 0.618 4.578 3.960 0.000 0.000 0.271 277 G C -0.924 173.875 174.900 -0.167 0.000 1.370 277 G CA -0.583 44.145 45.100 -0.620 0.000 1.014 277 G HN 0.622 nan 8.290 nan 0.000 0.541 278 S N -1.188 114.602 115.700 0.149 0.000 2.437 278 S HA 0.423 4.893 4.470 0.000 0.000 0.305 278 S C 1.454 176.405 174.600 0.586 0.000 1.109 278 S CA 0.274 58.652 58.200 0.297 0.000 1.099 278 S CB 1.409 64.725 63.200 0.194 0.000 1.004 278 S HN 1.114 nan 8.310 nan 0.000 0.475 279 S N 4.314 120.331 115.700 0.529 0.000 2.428 279 S HA 0.000 4.470 4.470 0.000 0.000 0.230 279 S C 1.441 176.163 174.600 0.203 0.000 1.014 279 S CA 0.541 58.985 58.200 0.406 0.000 0.957 279 S CB -0.385 63.039 63.200 0.373 0.000 0.784 279 S HN 0.772 nan 8.310 nan 0.000 0.499 280 K N 1.346 121.855 120.400 0.182 0.000 2.569 280 K HA 0.030 4.350 4.320 0.000 0.000 0.193 280 K C -0.697 175.973 176.600 0.116 0.000 1.026 280 K CA 0.579 56.934 56.287 0.114 0.000 1.093 280 K CB -0.022 32.533 32.500 0.090 0.000 0.849 280 K HN 0.373 nan 8.250 nan 0.000 0.509 281 D N -1.232 119.267 120.400 0.165 0.000 2.842 281 D HA 0.069 4.709 4.640 0.000 0.000 0.178 281 D C -2.475 173.974 176.300 0.248 0.000 1.244 281 D CA -0.698 53.398 54.000 0.161 0.000 1.403 281 D CB 0.819 41.697 40.800 0.130 0.000 1.293 281 D HN -0.138 nan 8.370 nan 0.000 0.680 282 P HA -0.066 nan 4.420 nan 0.000 0.221 282 P C 1.467 178.958 177.300 0.318 0.000 1.150 282 P CA 0.442 63.792 63.100 0.417 0.000 0.800 282 P CB 0.205 32.026 31.700 0.201 0.000 0.787 283 R N 0.812 121.432 120.500 0.200 0.000 2.083 283 R HA -0.152 4.188 4.340 0.000 0.000 0.237 283 R C 1.910 178.311 176.300 0.169 0.000 1.137 283 R CA 1.908 58.103 56.100 0.158 0.000 0.951 283 R CB -1.085 29.282 30.300 0.111 0.000 0.851 283 R HN 0.053 nan 8.270 nan 0.000 0.434 284 A N 0.626 123.549 122.820 0.171 0.000 2.255 284 A HA 0.025 4.345 4.320 0.000 0.000 0.218 284 A C 1.084 178.767 177.584 0.165 0.000 1.175 284 A CA 1.437 53.571 52.037 0.162 0.000 0.682 284 A CB -1.015 18.084 19.000 0.165 0.000 0.784 284 A HN 0.828 nan 8.150 nan 0.000 0.482 285 G N -3.065 105.863 108.800 0.212 0.000 2.796 285 G HA2 0.332 4.292 3.960 0.000 0.000 0.226 285 G HA3 0.332 4.292 3.960 0.000 0.000 0.226 285 G C 0.374 175.344 174.900 0.116 0.000 1.381 285 G CA -0.214 45.028 45.100 0.236 0.000 0.867 285 G HN 1.739 nan 8.290 nan 0.000 0.552 286 G N -2.509 106.274 108.800 -0.027 0.000 2.976 286 G HA2 0.892 4.852 3.960 0.000 0.000 0.276 286 G HA3 0.892 4.852 3.960 0.000 0.000 0.276 286 G C -0.767 173.860 174.900 -0.455 0.000 1.207 286 G CA 0.789 45.576 45.100 -0.522 0.000 0.803 286 G HN 1.422 nan 8.290 nan 0.000 0.572 287 T N 0.547 114.742 114.554 -0.599 0.000 2.893 287 T HA 0.576 4.926 4.350 0.000 0.000 0.293 287 T C -0.776 173.755 174.700 -0.283 0.000 1.027 287 T CA -0.312 61.590 62.100 -0.330 0.000 0.988 287 T CB 1.646 70.370 68.868 -0.241 0.000 1.043 287 T HN 0.302 nan 8.240 nan 0.000 0.461 288 L N 2.893 124.046 121.223 -0.117 0.000 2.265 288 L HA 0.488 4.829 4.340 0.000 0.000 0.289 288 L C -0.502 176.338 176.870 -0.050 0.000 1.033 288 L CA -0.889 53.928 54.840 -0.038 0.000 0.814 288 L CB 1.409 43.482 42.059 0.025 0.000 1.203 288 L HN 0.385 nan 8.230 nan 0.000 0.423 289 V N 3.596 123.489 119.914 -0.035 0.000 2.353 289 V HA 0.192 4.312 4.120 0.000 0.000 0.264 289 V C 0.172 176.263 176.094 -0.004 0.000 1.049 289 V CA -0.300 61.986 62.300 -0.022 0.000 0.896 289 V CB 0.833 32.672 31.823 0.027 0.000 1.025 289 V HN 0.816 nan 8.190 nan 0.000 0.475 290 C N 3.914 123.211 119.300 -0.006 0.000 2.486 290 C HA 0.350 4.811 4.460 0.000 0.000 0.348 290 C C 2.081 177.079 174.990 0.014 0.000 1.203 290 C CA -0.703 58.310 59.018 -0.007 0.000 1.911 290 C CB 1.460 29.194 27.740 -0.011 0.000 2.340 290 C HN 0.869 nan 8.230 nan 0.000 0.511 291 N N 0.967 119.664 118.700 -0.005 0.000 2.058 291 N HA -0.063 4.677 4.740 0.000 0.000 0.191 291 N C 0.093 175.619 175.510 0.025 0.000 1.037 291 N CA 1.397 54.454 53.050 0.011 0.000 0.848 291 N CB 0.163 38.641 38.487 -0.016 0.000 1.021 291 N HN 0.697 nan 8.380 nan 0.000 0.422 292 K N -0.940 119.465 120.400 0.008 0.000 2.508 292 K HA 0.309 4.629 4.320 0.000 0.000 0.260 292 K C -0.777 175.824 176.600 0.001 0.000 0.949 292 K CA -0.744 55.548 56.287 0.007 0.000 0.834 292 K CB 2.153 34.659 32.500 0.011 0.000 1.365 292 K HN 0.101 nan 8.250 nan 0.000 0.437 293 T N -2.374 112.181 114.554 0.001 0.000 2.888 293 T HA 0.397 4.747 4.350 0.000 0.000 0.288 293 T C -0.590 174.113 174.700 0.004 0.000 1.063 293 T CA -0.964 61.135 62.100 -0.001 0.000 1.010 293 T CB 1.414 70.277 68.868 -0.007 0.000 1.214 293 T HN 0.405 nan 8.240 nan 0.000 0.533 294 E N 1.505 121.707 120.200 0.004 0.000 2.200 294 E HA 0.247 4.597 4.350 0.000 0.000 0.283 294 E C -0.401 176.204 176.600 0.008 0.000 1.015 294 E CA -0.570 55.833 56.400 0.005 0.000 0.819 294 E CB 0.434 30.137 29.700 0.005 0.000 1.081 294 E HN 0.656 nan 8.360 nan 0.000 0.397 295 N N 2.509 121.213 118.700 0.007 0.000 2.696 295 N HA -0.110 4.630 4.740 0.000 0.000 0.256 295 N C -2.452 173.065 175.510 0.012 0.000 1.031 295 N CA 0.309 53.363 53.050 0.007 0.000 0.730 295 N CB -1.203 37.290 38.487 0.009 0.000 0.894 295 N HN 0.443 nan 8.380 nan 0.000 0.544 296 P HA 0.062 nan 4.420 nan 0.000 0.261 296 P C -2.201 175.108 177.300 0.015 0.000 1.183 296 P CA -0.414 62.698 63.100 0.020 0.000 0.761 296 P CB 0.163 31.882 31.700 0.031 0.000 0.785 297 P HA 0.012 nan 4.420 nan 0.000 0.271 297 P C 0.988 178.281 177.300 -0.012 0.000 1.218 297 P CA -0.490 62.631 63.100 0.036 0.000 0.780 297 P CB 0.917 32.675 31.700 0.097 0.000 0.901 298 L N 2.579 123.760 121.223 -0.069 0.000 2.081 298 L HA 0.015 4.355 4.340 0.000 0.000 0.212 298 L C 0.334 176.914 176.870 -0.483 0.000 1.080 298 L CA 1.767 56.442 54.840 -0.274 0.000 0.754 298 L CB -0.752 41.141 42.059 -0.276 0.000 0.893 298 L HN 0.268 nan 8.230 nan 0.000 0.433 299 F N -1.646 118.334 119.950 0.050 0.000 2.518 299 F HA 0.398 4.925 4.527 0.000 0.000 0.323 299 F C 1.095 177.052 175.800 0.262 0.000 1.129 299 F CA -0.785 57.285 58.000 0.118 0.000 0.920 299 F CB 1.419 40.409 39.000 -0.016 0.000 1.160 299 F HN -0.278 nan 8.300 nan 0.000 0.440 300 R N 2.469 123.221 120.500 0.420 0.000 2.195 300 R HA 0.694 5.034 4.340 0.000 0.000 0.197 300 R C -0.592 175.831 176.300 0.206 0.000 0.990 300 R CA 0.850 57.118 56.100 0.281 0.000 1.048 300 R CB 0.577 30.948 30.300 0.118 0.000 0.997 300 R HN 0.718 nan 8.270 nan 0.000 0.502 301 A N -0.377 122.614 122.820 0.284 0.000 2.489 301 A HA 0.458 4.778 4.320 0.000 0.000 0.293 301 A C -2.120 175.589 177.584 0.208 0.000 1.004 301 A CA -0.562 51.477 52.037 0.004 0.000 0.626 301 A CB 0.173 19.103 19.000 -0.116 0.000 1.345 301 A HN 0.253 nan 8.150 nan 0.000 0.447 302 L N -1.377 119.921 121.223 0.125 0.000 2.365 302 L HA 1.046 5.386 4.340 0.000 0.000 0.273 302 L C -0.097 176.801 176.870 0.048 0.000 1.000 302 L CA -0.450 54.479 54.840 0.149 0.000 0.819 302 L CB 1.607 43.803 42.059 0.228 0.000 1.284 302 L HN 1.719 nan 8.230 nan 0.000 0.418 303 A N 3.327 126.153 122.820 0.010 0.000 2.337 303 A HA 0.889 5.209 4.320 0.000 0.000 0.331 303 A C -1.206 176.340 177.584 -0.064 0.000 1.137 303 A CA -0.555 51.468 52.037 -0.023 0.000 0.807 303 A CB 1.457 20.445 19.000 -0.020 0.000 1.250 303 A HN 1.088 nan 8.150 nan 0.000 0.468 304 L N 1.761 122.949 121.223 -0.059 0.000 2.406 304 L HA 0.680 5.020 4.340 0.000 0.000 0.272 304 L C -1.018 175.814 176.870 -0.062 0.000 0.980 304 L CA -0.344 54.449 54.840 -0.077 0.000 0.831 304 L CB 1.579 43.599 42.059 -0.066 0.000 1.253 304 L HN 0.589 nan 8.230 nan 0.000 0.406 305 R N 4.657 125.115 120.500 -0.071 0.000 2.358 305 R HA 0.491 4.831 4.340 0.000 0.000 0.309 305 R C -0.368 175.902 176.300 -0.050 0.000 1.026 305 R CA -0.692 55.377 56.100 -0.052 0.000 0.909 305 R CB 1.319 31.589 30.300 -0.050 0.000 1.153 305 R HN 0.703 nan 8.270 nan 0.000 0.515 306 R N 0.977 121.453 120.500 -0.038 0.000 2.580 306 R HA 0.250 4.590 4.340 0.000 0.000 0.267 306 R C 0.340 176.628 176.300 -0.021 0.000 1.125 306 R CA -0.523 55.559 56.100 -0.030 0.000 1.188 306 R CB 0.427 30.712 30.300 -0.024 0.000 1.155 306 R HN 0.475 nan 8.270 nan 0.000 0.586 307 N N 1.575 120.267 118.700 -0.014 0.000 2.642 307 N HA -0.183 4.557 4.740 0.000 0.000 0.269 307 N C -1.173 174.333 175.510 -0.007 0.000 1.073 307 N CA 0.835 53.880 53.050 -0.008 0.000 0.748 307 N CB -0.383 38.100 38.487 -0.006 0.000 0.894 307 N HN 0.418 nan 8.380 nan 0.000 0.548 308 Q N 0.198 119.994 119.800 -0.006 0.000 2.266 308 Q HA 0.419 4.759 4.340 0.000 0.000 0.261 308 Q C 0.196 176.199 176.000 0.005 0.000 0.985 308 Q CA -0.194 55.607 55.803 -0.002 0.000 0.873 308 Q CB 1.542 30.275 28.738 -0.007 0.000 1.306 308 Q HN 0.127 nan 8.270 nan 0.000 0.447 309 T N 2.191 116.751 114.554 0.009 0.000 2.749 309 T HA 0.422 4.772 4.350 0.000 0.000 0.287 309 T C -0.144 174.567 174.700 0.019 0.000 0.970 309 T CA -0.424 61.684 62.100 0.013 0.000 0.980 309 T CB 0.364 69.239 68.868 0.012 0.000 0.924 309 T HN 0.279 nan 8.240 nan 0.000 0.456 310 L N 4.920 126.155 121.223 0.020 0.000 2.257 310 L HA 0.532 4.872 4.340 0.000 0.000 0.290 310 L C -0.948 175.937 176.870 0.025 0.000 1.044 310 L CA -0.907 53.948 54.840 0.026 0.000 0.810 310 L CB 0.834 42.909 42.059 0.027 0.000 1.193 310 L HN 0.463 nan 8.230 nan 0.000 0.425 311 L N 4.856 126.096 121.223 0.030 0.000 2.265 311 L HA 0.423 4.763 4.340 0.000 0.000 0.289 311 L C -0.301 176.588 176.870 0.032 0.000 1.033 311 L CA 0.284 55.140 54.840 0.026 0.000 0.814 311 L CB 1.620 43.694 42.059 0.024 0.000 1.203 311 L HN 0.478 nan 8.230 nan 0.000 0.423 312 T N 6.443 121.015 114.554 0.031 0.000 2.770 312 T HA 0.533 4.883 4.350 0.000 0.000 0.283 312 T C -0.338 174.393 174.700 0.052 0.000 0.988 312 T CA -0.274 61.850 62.100 0.040 0.000 0.957 312 T CB 0.654 69.544 68.868 0.036 0.000 0.930 312 T HN 0.358 nan 8.240 nan 0.000 0.443 313 L N 4.169 125.428 121.223 0.061 0.000 2.276 313 L HA 0.483 4.823 4.340 0.000 0.000 0.286 313 L C -0.237 176.685 176.870 0.087 0.000 1.024 313 L CA -0.855 54.033 54.840 0.080 0.000 0.826 313 L CB 0.776 42.889 42.059 0.090 0.000 1.211 313 L HN 0.679 nan 8.230 nan 0.000 0.422 314 H N 2.528 121.595 119.070 -0.006 0.000 2.469 314 H HA 0.669 5.225 4.556 0.000 0.000 0.342 314 H C -0.933 174.353 175.328 -0.069 0.000 1.115 314 H CA -0.351 55.667 56.048 -0.049 0.000 1.204 314 H CB 1.852 31.591 29.762 -0.038 0.000 1.492 314 H HN 0.488 nan 8.280 nan 0.000 0.499 315 S N 5.090 120.250 115.700 -0.900 0.000 2.561 315 S HA 0.097 4.568 4.470 0.000 0.000 0.292 315 S C 0.421 174.631 174.600 -0.650 0.000 1.107 315 S CA -0.726 57.079 58.200 -0.659 0.000 0.969 315 S CB 0.143 63.108 63.200 -0.392 0.000 1.150 315 S HN 0.787 nan 8.310 nan 0.000 0.451 316 L N 4.231 125.168 121.223 -0.477 0.000 2.351 316 L HA -0.104 4.237 4.340 0.000 0.000 0.220 316 L C 1.951 178.670 176.870 -0.252 0.000 1.127 316 L CA 1.235 55.900 54.840 -0.291 0.000 0.786 316 L CB -0.399 41.579 42.059 -0.135 0.000 0.914 316 L HN 0.708 nan 8.230 nan 0.000 0.443 317 N N 0.021 118.563 118.700 -0.264 0.000 2.467 317 N HA -0.095 4.645 4.740 0.000 0.000 0.184 317 N C 1.902 177.251 175.510 -0.270 0.000 1.106 317 N CA 0.398 53.334 53.050 -0.190 0.000 0.892 317 N CB 0.081 38.520 38.487 -0.080 0.000 0.969 317 N HN 0.490 nan 8.380 nan 0.000 0.454 318 M N -0.503 118.773 119.600 -0.539 0.000 2.419 318 M HA 0.091 4.571 4.480 0.000 0.000 0.264 318 M C 0.535 176.669 176.300 -0.277 0.000 1.082 318 M CA 0.709 55.665 55.300 -0.572 0.000 1.119 318 M CB 0.028 32.049 32.600 -0.965 0.000 1.398 318 M HN -0.041 nan 8.290 nan 0.000 0.453 319 L N 3.280 124.339 121.223 -0.273 0.000 2.654 319 L HA -0.045 4.295 4.340 0.000 0.000 0.271 319 L C -0.076 176.693 176.870 -0.170 0.000 1.169 319 L CA 0.977 55.648 54.840 -0.282 0.000 0.947 319 L CB -0.469 41.415 42.059 -0.292 0.000 1.232 319 L HN 0.685 nan 8.230 nan 0.000 0.486 320 H N 0.356 119.402 119.070 -0.040 0.000 3.395 320 H HA -0.198 4.358 4.556 0.000 0.000 0.222 320 H C 0.693 176.021 175.328 -0.002 0.000 1.099 320 H CA 0.706 56.745 56.048 -0.015 0.000 1.182 320 H CB -0.877 28.877 29.762 -0.014 0.000 1.188 320 H HN 0.610 nan 8.280 nan 0.000 0.317 321 S N 0.265 116.018 115.700 0.088 0.000 2.632 321 S HA 0.539 5.009 4.470 0.000 0.000 0.271 321 S C 0.351 175.013 174.600 0.104 0.000 1.260 321 S CA -0.731 57.522 58.200 0.088 0.000 1.010 321 S CB 1.069 64.317 63.200 0.080 0.000 0.965 321 S HN 0.320 nan 8.310 nan 0.000 0.534 322 R N 0.947 121.507 120.500 0.099 0.000 2.589 322 R HA 0.531 4.871 4.340 0.000 0.000 0.293 322 R C 0.980 177.341 176.300 0.101 0.000 0.963 322 R CA 0.088 56.244 56.100 0.093 0.000 0.905 322 R CB 1.361 31.701 30.300 0.068 0.000 1.144 322 R HN 1.035 nan 8.270 nan 0.000 0.459 323 G N 1.833 110.695 108.800 0.103 0.000 2.184 323 G HA2 -0.349 3.611 3.960 0.000 0.000 0.264 323 G HA3 -0.349 3.611 3.960 0.000 0.000 0.264 323 G C 0.443 175.380 174.900 0.063 0.000 0.975 323 G CA 0.468 45.614 45.100 0.078 0.000 0.642 323 G HN 0.661 nan 8.290 nan 0.000 0.536 324 F N 0.763 120.715 119.950 0.004 0.000 2.102 324 F HA 0.112 4.639 4.527 0.000 0.000 0.298 324 F C 2.517 178.286 175.800 -0.052 0.000 1.105 324 F CA 2.331 60.315 58.000 -0.027 0.000 1.239 324 F CB -0.228 38.747 39.000 -0.041 0.000 0.991 324 F HN 0.205 nan 8.300 nan 0.000 0.474 325 L N -0.278 121.002 121.223 0.096 0.000 2.093 325 L HA -0.146 4.194 4.340 0.000 0.000 0.208 325 L C 2.795 179.683 176.870 0.030 0.000 1.085 325 L CA 0.986 55.816 54.840 -0.016 0.000 0.755 325 L CB -1.190 41.013 42.059 0.240 0.000 0.904 325 L HN 0.225 nan 8.230 nan 0.000 0.435 326 A N -0.151 122.732 122.820 0.105 0.000 1.917 326 A HA -0.298 4.022 4.320 0.000 0.000 0.219 326 A C 2.271 179.873 177.584 0.029 0.000 1.182 326 A CA 2.234 54.339 52.037 0.114 0.000 0.633 326 A CB -0.496 18.546 19.000 0.071 0.000 0.819 326 A HN 0.496 nan 8.150 nan 0.000 0.448 327 E N -0.631 119.509 120.200 -0.100 0.000 2.051 327 E HA -0.068 4.282 4.350 0.000 0.000 0.189 327 E C 1.957 178.438 176.600 -0.198 0.000 0.979 327 E CA 0.996 57.305 56.400 -0.152 0.000 0.803 327 E CB -0.052 29.512 29.700 -0.226 0.000 0.761 327 E HN 0.319 nan 8.360 nan 0.000 0.451 328 V N 0.677 120.370 119.914 -0.368 0.000 2.255 328 V HA -0.274 3.847 4.120 0.000 0.000 0.247 328 V C 2.033 177.971 176.094 -0.260 0.000 1.051 328 V CA 1.907 63.965 62.300 -0.404 0.000 1.018 328 V CB -0.617 30.844 31.823 -0.604 0.000 0.641 328 V HN 0.321 nan 8.190 nan 0.000 0.445 329 F N 0.762 120.682 119.950 -0.050 0.000 2.293 329 F HA -0.016 4.512 4.527 0.000 0.000 0.300 329 F C 2.375 178.167 175.800 -0.013 0.000 1.086 329 F CA 0.996 58.987 58.000 -0.015 0.000 1.375 329 F CB -0.767 38.229 39.000 -0.006 0.000 1.045 329 F HN 0.237 nan 8.300 nan 0.000 0.516 330 G N 0.817 109.692 108.800 0.125 0.000 2.453 330 G HA2 -0.232 3.728 3.960 0.000 0.000 0.215 330 G HA3 -0.232 3.728 3.960 0.000 0.000 0.215 330 G C 1.650 176.578 174.900 0.047 0.000 1.201 330 G CA 1.044 46.183 45.100 0.065 0.000 0.784 330 G HN 0.291 nan 8.290 nan 0.000 0.545 331 I N 0.578 121.169 120.570 0.035 0.000 2.151 331 I HA -0.224 3.946 4.170 0.000 0.000 0.243 331 I C 2.795 179.030 176.117 0.196 0.000 1.080 331 I CA 0.906 62.266 61.300 0.099 0.000 1.339 331 I CB -0.297 37.742 38.000 0.066 0.000 1.039 331 I HN 0.125 nan 8.210 nan 0.000 0.409 332 L N 0.282 121.588 121.223 0.139 0.000 2.042 332 L HA -0.265 4.075 4.340 0.000 0.000 0.210 332 L C 2.843 179.798 176.870 0.142 0.000 1.076 332 L CA 1.478 56.412 54.840 0.157 0.000 0.749 332 L CB -0.791 41.362 42.059 0.156 0.000 0.893 332 L HN 0.301 nan 8.230 nan 0.000 0.432 333 A N -0.210 122.675 122.820 0.109 0.000 1.845 333 A HA -0.244 4.076 4.320 0.000 0.000 0.215 333 A C 2.406 179.996 177.584 0.009 0.000 1.195 333 A CA 1.644 53.718 52.037 0.061 0.000 0.616 333 A CB -0.658 18.371 19.000 0.048 0.000 0.832 333 A HN 0.272 nan 8.150 nan 0.000 0.443 334 R N -0.990 119.480 120.500 -0.050 0.000 2.133 334 R HA -0.174 4.166 4.340 0.000 0.000 0.247 334 R C 0.945 177.077 176.300 -0.280 0.000 1.151 334 R CA 1.618 57.605 56.100 -0.189 0.000 0.971 334 R CB -0.395 29.724 30.300 -0.301 0.000 0.866 334 R HN 0.681 nan 8.270 nan 0.000 0.447 335 H N 0.496 119.574 119.070 0.014 0.000 2.567 335 H HA 0.100 4.657 4.556 0.000 0.000 0.294 335 H C -0.059 175.279 175.328 0.017 0.000 1.050 335 H CA -0.093 55.963 56.048 0.013 0.000 1.168 335 H CB -0.078 29.690 29.762 0.009 0.000 1.422 335 H HN 0.165 nan 8.280 nan 0.000 0.562 336 N N 0.940 119.680 118.700 0.066 0.000 2.696 336 N HA -0.190 4.550 4.740 0.000 0.000 0.256 336 N C -0.568 174.982 175.510 0.066 0.000 1.031 336 N CA 0.697 53.778 53.050 0.052 0.000 0.730 336 N CB -1.498 37.013 38.487 0.040 0.000 0.894 336 N HN 0.482 nan 8.380 nan 0.000 0.544 337 I N -0.344 120.273 120.570 0.078 0.000 2.545 337 I HA 0.247 4.417 4.170 0.000 0.000 0.292 337 I C 0.160 176.321 176.117 0.072 0.000 1.040 337 I CA -0.648 60.697 61.300 0.075 0.000 1.068 337 I CB 2.170 40.224 38.000 0.090 0.000 1.251 337 I HN 0.047 nan 8.210 nan 0.000 0.424 338 S N 5.059 120.794 115.700 0.058 0.000 2.437 338 S HA 0.576 5.046 4.470 0.000 0.000 0.305 338 S C -0.613 174.023 174.600 0.059 0.000 1.109 338 S CA -0.528 57.702 58.200 0.050 0.000 1.099 338 S CB 1.091 64.311 63.200 0.033 0.000 1.004 338 S HN 0.304 nan 8.310 nan 0.000 0.475 339 V N 5.231 125.187 119.914 0.069 0.000 2.498 339 V HA 0.262 4.382 4.120 0.000 0.000 0.279 339 V C 0.804 176.924 176.094 0.044 0.000 1.048 339 V CA -0.223 62.132 62.300 0.091 0.000 0.967 339 V CB 1.436 33.365 31.823 0.177 0.000 0.988 339 V HN 1.010 nan 8.190 nan 0.000 0.473 340 D N 3.565 123.991 120.400 0.044 0.000 2.799 340 D HA 0.191 4.831 4.640 0.000 0.000 0.267 340 D C 0.482 176.798 176.300 0.026 0.000 1.468 340 D CA 0.448 54.460 54.000 0.021 0.000 1.077 340 D CB 0.127 40.935 40.800 0.012 0.000 1.065 340 D HN 0.408 nan 8.370 nan 0.000 0.359 341 L N 1.212 122.457 121.223 0.036 0.000 2.375 341 L HA 0.436 4.776 4.340 0.000 0.000 0.271 341 L C -0.234 176.680 176.870 0.074 0.000 1.107 341 L CA -0.385 54.482 54.840 0.044 0.000 0.806 341 L CB 1.469 43.550 42.059 0.037 0.000 1.146 341 L HN 0.215 nan 8.230 nan 0.000 0.447 342 I N 1.351 121.969 120.570 0.079 0.000 2.607 342 I HA 0.365 4.535 4.170 0.000 0.000 0.290 342 I C -0.465 175.706 176.117 0.090 0.000 1.129 342 I CA -0.226 61.141 61.300 0.111 0.000 1.042 342 I CB 2.406 40.500 38.000 0.157 0.000 1.242 342 I HN 0.496 nan 8.210 nan 0.000 0.421 343 T N 3.298 117.904 114.554 0.086 0.000 2.903 343 T HA 0.754 5.104 4.350 0.000 0.000 0.299 343 T C -0.746 173.994 174.700 0.066 0.000 1.093 343 T CA -0.319 61.822 62.100 0.070 0.000 1.002 343 T CB 1.792 70.697 68.868 0.061 0.000 1.127 343 T HN 0.796 nan 8.240 nan 0.000 0.488 344 T N -0.033 114.552 114.554 0.053 0.000 2.906 344 T HA 0.828 5.178 4.350 0.000 0.000 0.295 344 T C -0.146 174.568 174.700 0.023 0.000 1.075 344 T CA -0.559 61.565 62.100 0.040 0.000 1.005 344 T CB 1.602 70.495 68.868 0.041 0.000 1.136 344 T HN 0.804 nan 8.240 nan 0.000 0.498 345 S N 0.279 115.985 115.700 0.011 0.000 2.841 345 S HA 0.550 5.020 4.470 0.000 0.000 0.318 345 S C 0.579 175.166 174.600 -0.022 0.000 1.127 345 S CA -0.776 57.425 58.200 0.002 0.000 0.883 345 S CB 1.388 64.595 63.200 0.012 0.000 1.271 345 S HN 0.622 nan 8.310 nan 0.000 0.567 346 E N 0.288 120.468 120.200 -0.033 0.000 2.107 346 E HA -0.007 4.343 4.350 0.000 0.000 0.191 346 E C 1.517 178.048 176.600 -0.114 0.000 0.982 346 E CA 1.674 58.031 56.400 -0.073 0.000 0.809 346 E CB -0.328 29.327 29.700 -0.075 0.000 0.756 346 E HN 0.716 nan 8.360 nan 0.000 0.459 347 V N -1.530 118.332 119.914 -0.087 0.000 3.070 347 V HA 0.385 4.505 4.120 0.000 0.000 0.345 347 V C 0.030 176.027 176.094 -0.162 0.000 1.403 347 V CA -0.058 62.139 62.300 -0.171 0.000 1.155 347 V CB -0.121 31.606 31.823 -0.160 0.000 1.140 347 V HN 0.082 nan 8.190 nan 0.000 0.505 348 S N -0.517 115.150 115.700 -0.055 0.000 2.547 348 S HA 0.813 5.283 4.470 0.000 0.000 0.270 348 S C -1.402 173.200 174.600 0.004 0.000 1.150 348 S CA -0.222 57.983 58.200 0.007 0.000 0.850 348 S CB 2.273 65.568 63.200 0.159 0.000 1.118 348 S HN 1.251 nan 8.310 nan 0.000 0.461 349 V N 0.894 120.822 119.914 0.022 0.000 2.760 349 V HA 0.911 5.031 4.120 0.000 0.000 0.309 349 V C -0.689 175.436 176.094 0.051 0.000 1.077 349 V CA -0.080 62.245 62.300 0.042 0.000 0.910 349 V CB 1.487 33.339 31.823 0.049 0.000 1.008 349 V HN 1.756 nan 8.190 nan 0.000 0.424 350 A N 6.934 129.790 122.820 0.059 0.000 2.343 350 A HA 0.952 5.272 4.320 0.000 0.000 0.316 350 A C -1.219 176.408 177.584 0.072 0.000 1.104 350 A CA -0.542 51.529 52.037 0.057 0.000 0.768 350 A CB 1.346 20.375 19.000 0.050 0.000 1.213 350 A HN 1.588 nan 8.150 nan 0.000 0.456 351 L N -0.140 121.126 121.223 0.072 0.000 2.376 351 L HA 0.959 5.299 4.340 0.000 0.000 0.258 351 L C -0.016 176.895 176.870 0.068 0.000 1.013 351 L CA -0.584 54.310 54.840 0.090 0.000 0.822 351 L CB 1.553 43.697 42.059 0.140 0.000 1.388 351 L HN 0.626 nan 8.230 nan 0.000 0.413 352 T N -0.942 113.651 114.554 0.064 0.000 2.888 352 T HA 0.781 5.131 4.350 0.000 0.000 0.284 352 T C -0.142 174.588 174.700 0.049 0.000 1.017 352 T CA -0.744 61.383 62.100 0.045 0.000 1.022 352 T CB 1.154 70.040 68.868 0.030 0.000 1.013 352 T HN 0.652 nan 8.240 nan 0.000 0.465 353 L N 2.317 123.563 121.223 0.038 0.000 2.349 353 L HA 0.341 4.681 4.340 0.000 0.000 0.275 353 L C 0.545 177.432 176.870 0.028 0.000 1.115 353 L CA -0.792 54.071 54.840 0.039 0.000 0.820 353 L CB 0.585 42.664 42.059 0.033 0.000 1.135 353 L HN 0.741 nan 8.230 nan 0.000 0.445 354 D N 1.894 122.312 120.400 0.031 0.000 2.402 354 D HA -0.015 4.625 4.640 0.000 0.000 0.235 354 D C 1.342 177.652 176.300 0.017 0.000 1.226 354 D CA -0.113 53.898 54.000 0.019 0.000 0.918 354 D CB 1.204 42.016 40.800 0.021 0.000 1.043 354 D HN 0.709 nan 8.370 nan 0.000 0.506 355 T N 0.699 115.258 114.554 0.010 0.000 2.788 355 T HA -0.179 4.171 4.350 0.000 0.000 0.268 355 T C 1.673 176.377 174.700 0.007 0.000 1.044 355 T CA 1.607 63.712 62.100 0.008 0.000 1.139 355 T CB -0.283 68.585 68.868 0.002 0.000 0.867 355 T HN 0.272 nan 8.240 nan 0.000 0.454 356 T N 1.140 115.696 114.554 0.003 0.000 2.777 356 T HA 0.132 4.482 4.350 0.000 0.000 0.266 356 T C 1.912 176.619 174.700 0.012 0.000 1.040 356 T CA 1.300 63.402 62.100 0.003 0.000 1.141 356 T CB -0.790 68.075 68.868 -0.004 0.000 0.868 356 T HN 0.622 nan 8.240 nan 0.000 0.444 357 G N 0.311 109.122 108.800 0.018 0.000 3.314 357 G HA2 0.288 4.249 3.960 0.000 0.000 0.238 357 G HA3 0.288 4.249 3.960 0.000 0.000 0.238 357 G C 0.935 175.850 174.900 0.025 0.000 1.184 357 G CA -0.089 45.026 45.100 0.025 0.000 0.806 357 G HN 0.386 nan 8.290 nan 0.000 0.536 358 S N -0.252 115.462 115.700 0.024 0.000 3.096 358 S HA 0.408 4.878 4.470 0.000 0.000 0.169 358 S C 0.985 175.600 174.600 0.025 0.000 0.736 358 S CA 0.479 58.696 58.200 0.028 0.000 0.976 358 S CB -0.146 63.073 63.200 0.032 0.000 0.705 358 S HN 0.407 nan 8.310 nan 0.000 0.666 364 T N 0.337 114.896 114.554 0.008 0.000 2.933 364 T HA 0.494 4.844 4.350 0.000 0.000 0.305 364 T C 0.427 175.132 174.700 0.009 0.000 1.092 364 T CA -0.577 61.527 62.100 0.006 0.000 1.008 364 T CB 1.987 70.857 68.868 0.003 0.000 1.102 364 T HN 0.075 nan 8.240 nan 0.000 0.469 365 L N 4.049 125.278 121.223 0.010 0.000 2.072 365 L HA 0.402 4.742 4.340 0.000 0.000 0.205 365 L C 0.764 177.637 176.870 0.006 0.000 1.079 365 L CA 1.157 56.005 54.840 0.015 0.000 0.752 365 L CB 0.066 42.136 42.059 0.018 0.000 0.906 365 L HN 0.584 nan 8.230 nan 0.000 0.436 366 L N 1.042 122.263 121.223 -0.003 0.000 2.334 366 L HA 0.177 4.517 4.340 0.000 0.000 0.286 366 L C 0.216 177.069 176.870 -0.028 0.000 1.108 366 L CA -0.512 54.316 54.840 -0.020 0.000 0.875 366 L CB 0.222 42.271 42.059 -0.016 0.000 1.246 366 L HN 0.224 nan 8.230 nan 0.000 0.439 367 T N -1.559 112.969 114.554 -0.044 0.000 2.913 367 T HA 0.143 4.493 4.350 0.000 0.000 0.287 367 T C 0.967 175.630 174.700 -0.062 0.000 1.008 367 T CA -0.857 61.218 62.100 -0.042 0.000 1.067 367 T CB 1.815 70.663 68.868 -0.033 0.000 0.996 367 T HN 0.361 nan 8.240 nan 0.000 0.513 368 Q N 1.088 120.863 119.800 -0.041 0.000 2.297 368 Q HA -0.094 4.246 4.340 0.000 0.000 0.208 368 Q C 2.399 178.363 176.000 -0.059 0.000 0.981 368 Q CA 1.554 57.333 55.803 -0.041 0.000 0.876 368 Q CB -0.787 27.938 28.738 -0.023 0.000 0.921 368 Q HN 0.882 nan 8.270 nan 0.000 0.446 369 S N 0.362 116.021 115.700 -0.067 0.000 2.348 369 S HA -0.146 4.324 4.470 0.000 0.000 0.221 369 S C 1.879 176.361 174.600 -0.198 0.000 1.033 369 S CA 1.124 59.276 58.200 -0.080 0.000 1.010 369 S CB -0.173 63.008 63.200 -0.032 0.000 0.891 369 S HN 0.339 nan 8.310 nan 0.000 0.442 370 L N 1.737 122.750 121.223 -0.350 0.000 2.017 370 L HA 0.102 4.442 4.340 0.000 0.000 0.208 370 L C 2.236 178.959 176.870 -0.244 0.000 1.073 370 L CA 1.726 56.242 54.840 -0.540 0.000 0.745 370 L CB -0.694 41.057 42.059 -0.513 0.000 0.894 370 L HN 0.429 nan 8.230 nan 0.000 0.432 371 L N -1.233 119.901 121.223 -0.148 0.000 2.127 371 L HA -0.247 4.093 4.340 0.000 0.000 0.211 371 L C 2.566 179.398 176.870 -0.064 0.000 1.089 371 L CA 1.504 56.294 54.840 -0.083 0.000 0.757 371 L CB -0.660 41.367 42.059 -0.054 0.000 0.899 371 L HN 0.428 nan 8.230 nan 0.000 0.434 372 M N 0.272 119.831 119.600 -0.068 0.000 2.067 372 M HA -0.215 4.266 4.480 0.000 0.000 0.260 372 M C 2.143 178.421 176.300 -0.036 0.000 1.069 372 M CA 1.805 57.081 55.300 -0.041 0.000 1.117 372 M CB -0.364 32.217 32.600 -0.032 0.000 1.334 372 M HN 0.105 nan 8.290 nan 0.000 0.407 373 E N -0.554 119.615 120.200 -0.052 0.000 2.153 373 E HA -0.184 4.166 4.350 0.000 0.000 0.194 373 E C 1.951 178.528 176.600 -0.038 0.000 0.988 373 E CA 1.256 57.641 56.400 -0.025 0.000 0.811 373 E CB -0.137 29.573 29.700 0.017 0.000 0.746 373 E HN 0.540 nan 8.360 nan 0.000 0.466 374 L N -0.428 120.761 121.223 -0.058 0.000 2.068 374 L HA -0.090 4.250 4.340 0.000 0.000 0.204 374 L C 2.628 179.486 176.870 -0.019 0.000 1.076 374 L CA 0.687 55.495 54.840 -0.052 0.000 0.753 374 L CB -0.350 41.674 42.059 -0.059 0.000 0.910 374 L HN 0.099 nan 8.230 nan 0.000 0.439 375 S N 0.021 115.714 115.700 -0.012 0.000 2.420 375 S HA -0.238 4.232 4.470 0.000 0.000 0.237 375 S C 2.053 176.662 174.600 0.016 0.000 1.023 375 S CA 1.179 59.384 58.200 0.008 0.000 0.991 375 S CB -0.156 63.045 63.200 0.002 0.000 0.792 375 S HN 0.452 nan 8.310 nan 0.000 0.488 376 A N 0.938 123.760 122.820 0.004 0.000 2.139 376 A HA 0.009 4.330 4.320 0.000 0.000 0.221 376 A C 1.584 179.182 177.584 0.023 0.000 1.159 376 A CA 1.562 53.603 52.037 0.007 0.000 0.662 376 A CB -0.576 18.421 19.000 -0.005 0.000 0.796 376 A HN 0.886 nan 8.150 nan 0.000 0.463 377 L N -4.730 116.516 121.223 0.039 0.000 3.524 377 L HA 0.484 4.824 4.340 0.000 0.000 0.337 377 L C -0.532 176.465 176.870 0.212 0.000 1.330 377 L CA -0.541 54.363 54.840 0.107 0.000 0.966 377 L CB -0.352 41.746 42.059 0.065 0.000 1.395 377 L HN 0.551 nan 8.230 nan 0.000 0.616 378 C N -2.185 117.193 119.300 0.129 0.000 2.885 378 C HA 0.281 4.741 4.460 0.000 0.000 0.343 378 C C -0.419 174.623 174.990 0.085 0.000 1.168 378 C CA -0.989 58.101 59.018 0.121 0.000 1.106 378 C CB 1.396 29.272 27.740 0.226 0.000 1.362 378 C HN 0.579 nan 8.230 nan 0.000 0.514 379 R N 1.701 122.259 120.500 0.097 0.000 2.345 379 R HA 0.519 4.859 4.340 0.000 0.000 0.331 379 R C -0.284 176.063 176.300 0.078 0.000 1.067 379 R CA -0.016 56.141 56.100 0.094 0.000 0.962 379 R CB 0.329 30.714 30.300 0.140 0.000 0.987 379 R HN 0.717 nan 8.270 nan 0.000 0.451 380 V N 4.991 124.934 119.914 0.047 0.000 2.432 380 V HA 0.237 4.358 4.120 0.000 0.000 0.275 380 V C 0.052 176.160 176.094 0.023 0.000 1.043 380 V CA -0.394 61.925 62.300 0.033 0.000 0.925 380 V CB 1.408 33.240 31.823 0.015 0.000 0.985 380 V HN 0.682 nan 8.190 nan 0.000 0.466 381 E N 3.661 123.874 120.200 0.023 0.000 2.222 381 E HA 0.655 5.005 4.350 0.000 0.000 0.267 381 E C -1.214 175.393 176.600 0.012 0.000 0.884 381 E CA -0.605 55.803 56.400 0.013 0.000 0.764 381 E CB 2.738 32.445 29.700 0.010 0.000 1.169 381 E HN 0.398 nan 8.360 nan 0.000 0.413 382 V N 1.879 121.798 119.914 0.008 0.000 2.680 382 V HA 0.421 4.541 4.120 0.000 0.000 0.309 382 V C -0.291 175.808 176.094 0.008 0.000 1.052 382 V CA -0.753 61.552 62.300 0.008 0.000 0.908 382 V CB 2.111 33.936 31.823 0.004 0.000 1.001 382 V HN 0.574 nan 8.190 nan 0.000 0.431 383 E N 2.747 122.954 120.200 0.011 0.000 2.260 383 E HA 0.520 4.870 4.350 0.000 0.000 0.266 383 E C -1.318 175.288 176.600 0.011 0.000 0.887 383 E CA -0.580 55.827 56.400 0.011 0.000 0.777 383 E CB 2.689 32.397 29.700 0.014 0.000 1.205 383 E HN 0.753 nan 8.360 nan 0.000 0.414 384 E N 0.273 120.478 120.200 0.009 0.000 2.320 384 E HA 0.596 4.947 4.350 0.000 0.000 0.264 384 E C 0.360 176.965 176.600 0.008 0.000 0.923 384 E CA -1.019 55.386 56.400 0.008 0.000 0.796 384 E CB 1.949 31.653 29.700 0.006 0.000 1.262 384 E HN 0.680 nan 8.360 nan 0.000 0.428 385 G N 0.786 109.590 108.800 0.006 0.000 2.141 385 G HA2 -0.237 3.723 3.960 0.000 0.000 0.231 385 G HA3 -0.237 3.723 3.960 0.000 0.000 0.231 385 G C 0.017 174.921 174.900 0.007 0.000 0.984 385 G CA -0.156 44.947 45.100 0.005 0.000 0.660 385 G HN 0.268 nan 8.290 nan 0.000 0.525 386 L N 0.474 121.701 121.223 0.008 0.000 2.418 386 L HA 0.694 5.035 4.340 0.000 0.000 0.265 386 L C 0.797 177.665 176.870 -0.004 0.000 1.143 386 L CA -0.155 54.691 54.840 0.010 0.000 0.809 386 L CB 1.466 43.534 42.059 0.015 0.000 1.124 386 L HN 0.339 nan 8.230 nan 0.000 0.456 387 A N 2.628 125.442 122.820 -0.010 0.000 2.343 387 A HA 0.623 4.943 4.320 0.000 0.000 0.316 387 A C -1.015 176.520 177.584 -0.081 0.000 1.104 387 A CA -0.527 51.487 52.037 -0.039 0.000 0.768 387 A CB 1.398 20.377 19.000 -0.036 0.000 1.213 387 A HN 0.513 nan 8.150 nan 0.000 0.456 388 L N 3.552 124.713 121.223 -0.104 0.000 2.290 388 L HA 0.628 4.968 4.340 0.000 0.000 0.284 388 L C -0.710 176.002 176.870 -0.262 0.000 1.078 388 L CA 0.164 54.904 54.840 -0.167 0.000 0.815 388 L CB 1.192 43.184 42.059 -0.111 0.000 1.162 388 L HN 0.408 nan 8.230 nan 0.000 0.435 389 V N 4.954 124.565 119.914 -0.506 0.000 2.487 389 V HA 0.892 5.012 4.120 0.000 0.000 0.298 389 V C -0.072 175.640 176.094 -0.636 0.000 1.028 389 V CA -0.391 61.543 62.300 -0.609 0.000 0.860 389 V CB 1.110 32.401 31.823 -0.888 0.000 0.991 389 V HN 1.005 nan 8.190 nan 0.000 0.427 390 A N 5.304 127.950 122.820 -0.290 0.000 2.393 390 A HA 0.907 5.227 4.320 0.000 0.000 0.306 390 A C -1.115 176.483 177.584 0.022 0.000 1.050 390 A CA -0.583 51.377 52.037 -0.128 0.000 0.724 390 A CB 1.357 20.316 19.000 -0.069 0.000 1.248 390 A HN 0.804 nan 8.150 nan 0.000 0.424 391 L N 2.900 124.208 121.223 0.142 0.000 2.265 391 L HA 0.426 4.766 4.340 0.000 0.000 0.289 391 L C -1.037 176.001 176.870 0.281 0.000 1.033 391 L CA -0.574 54.435 54.840 0.283 0.000 0.814 391 L CB 1.114 43.431 42.059 0.430 0.000 1.203 391 L HN 0.535 nan 8.230 nan 0.000 0.423 392 I N 2.747 123.471 120.570 0.256 0.000 2.353 392 I HA 0.750 4.921 4.170 0.000 0.000 0.293 392 I C 0.734 176.980 176.117 0.215 0.000 0.992 392 I CA 0.186 61.593 61.300 0.178 0.000 1.268 392 I CB 1.450 39.502 38.000 0.088 0.000 1.387 392 I HN 0.689 nan 8.210 nan 0.000 0.478 393 G N 5.137 114.027 108.800 0.150 0.000 2.529 393 G HA2 0.396 4.356 3.960 0.000 0.000 0.238 393 G HA3 0.396 4.356 3.960 0.000 0.000 0.238 393 G C -1.477 173.485 174.900 0.104 0.000 1.207 393 G CA -0.621 44.529 45.100 0.083 0.000 0.928 393 G HN 0.427 nan 8.290 nan 0.000 0.495 394 N N 0.774 119.434 118.700 -0.067 0.000 2.277 394 N HA 0.359 5.099 4.740 0.000 0.000 0.286 394 N C -1.273 174.108 175.510 -0.215 0.000 1.140 394 N CA -0.440 52.534 53.050 -0.126 0.000 0.799 394 N CB 2.500 40.982 38.487 -0.009 0.000 1.596 394 N HN 0.626 nan 8.380 nan 0.000 0.473 395 D N 0.547 120.794 120.400 -0.255 0.000 3.059 395 D HA -0.161 4.480 4.640 0.000 0.000 0.220 395 D C 0.948 177.158 176.300 -0.149 0.000 1.169 395 D CA 0.536 54.425 54.000 -0.184 0.000 0.902 395 D CB -1.052 39.663 40.800 -0.141 0.000 1.116 395 D HN 0.518 nan 8.370 nan 0.000 0.417 396 L N -0.545 120.591 121.223 -0.145 0.000 2.622 396 L HA 0.015 4.355 4.340 0.000 0.000 0.233 396 L C 1.139 178.110 176.870 0.170 0.000 1.156 396 L CA 0.693 55.527 54.840 -0.010 0.000 0.866 396 L CB -0.049 42.036 42.059 0.043 0.000 0.980 396 L HN 0.036 nan 8.230 nan 0.000 0.448 397 S N -0.167 115.548 115.700 0.026 0.000 2.533 397 S HA 0.603 5.073 4.470 0.000 0.000 0.271 397 S C -1.121 173.460 174.600 -0.033 0.000 1.143 397 S CA -0.765 57.450 58.200 0.025 0.000 0.891 397 S CB 1.660 64.765 63.200 -0.159 0.000 1.105 397 S HN 0.125 nan 8.310 nan 0.000 0.468 398 K N 1.595 121.994 120.400 -0.002 0.000 2.536 398 K HA 0.664 4.985 4.320 0.000 0.000 0.269 398 K C 0.724 177.321 176.600 -0.005 0.000 0.965 398 K CA -0.514 55.762 56.287 -0.019 0.000 0.860 398 K CB 1.472 33.960 32.500 -0.020 0.000 1.423 398 K HN 0.526 nan 8.250 nan 0.000 0.438 399 A N 0.320 123.132 122.820 -0.013 0.000 2.032 399 A HA -0.180 4.140 4.320 0.000 0.000 0.221 399 A C 1.705 179.295 177.584 0.009 0.000 1.165 399 A CA 2.061 54.095 52.037 -0.005 0.000 0.645 399 A CB -1.027 17.968 19.000 -0.008 0.000 0.807 399 A HN 0.843 nan 8.150 nan 0.000 0.453 400 C N -2.748 116.558 119.300 0.010 0.000 2.754 400 C HA 0.571 5.031 4.460 0.000 0.000 0.276 400 C C 1.338 176.349 174.990 0.035 0.000 1.264 400 C CA -0.602 58.426 59.018 0.017 0.000 1.700 400 C CB -1.475 26.268 27.740 0.005 0.000 1.885 400 C HN 1.778 nan 8.230 nan 0.000 0.607 401 G N 0.192 109.025 108.800 0.055 0.000 2.795 401 G HA2 0.106 4.067 3.960 0.000 0.000 0.664 401 G HA3 0.106 4.067 3.960 0.000 0.000 0.664 401 G C -1.013 173.932 174.900 0.076 0.000 1.381 401 G CA -0.191 44.976 45.100 0.112 0.000 0.853 401 G HN 0.971 nan 8.290 nan 0.000 0.545 402 V N 1.239 121.212 119.914 0.099 0.000 2.735 402 V HA 0.797 4.917 4.120 0.000 0.000 0.310 402 V C 1.362 177.215 176.094 -0.403 0.000 1.061 402 V CA 0.568 62.800 62.300 -0.113 0.000 0.913 402 V CB 1.683 33.452 31.823 -0.090 0.000 1.005 402 V HN 1.867 nan 8.190 nan 0.000 0.428 403 G N 3.127 111.684 108.800 -0.405 0.000 2.514 403 G HA2 0.161 4.122 3.960 0.000 0.000 0.245 403 G HA3 0.161 4.122 3.960 0.000 0.000 0.245 403 G C 0.740 175.163 174.900 -0.793 0.000 1.488 403 G CA 0.222 45.063 45.100 -0.430 0.000 1.063 403 G HN 0.830 nan 8.290 nan 0.000 0.557 404 K N -0.379 119.792 120.400 -0.381 0.000 2.432 404 K HA 0.052 4.372 4.320 0.000 0.000 0.196 404 K C 1.680 178.155 176.600 -0.207 0.000 1.038 404 K CA 1.218 57.359 56.287 -0.243 0.000 0.986 404 K CB 0.068 32.536 32.500 -0.052 0.000 0.782 404 K HN 0.334 nan 8.250 nan 0.000 0.485 405 E N 1.416 121.478 120.200 -0.230 0.000 2.130 405 E HA -0.153 4.197 4.350 0.000 0.000 0.196 405 E C 1.857 178.417 176.600 -0.066 0.000 0.998 405 E CA 1.496 57.822 56.400 -0.122 0.000 0.806 405 E CB -0.216 29.408 29.700 -0.128 0.000 0.738 405 E HN 0.153 nan 8.360 nan 0.000 0.459 406 V N -0.479 119.312 119.914 -0.205 0.000 3.125 406 V HA 0.022 4.143 4.120 0.000 0.000 0.249 406 V C 1.590 177.786 176.094 0.170 0.000 1.113 406 V CA 0.827 63.118 62.300 -0.015 0.000 1.106 406 V CB -0.364 31.380 31.823 -0.132 0.000 0.768 406 V HN 0.226 nan 8.190 nan 0.000 0.468 407 F N 1.201 121.129 119.950 -0.038 0.000 2.220 407 F HA 0.145 4.672 4.527 0.000 0.000 0.290 407 F C 2.618 178.394 175.800 -0.040 0.000 1.080 407 F CA 0.657 58.611 58.000 -0.076 0.000 1.318 407 F CB -0.864 38.071 39.000 -0.109 0.000 1.063 407 F HN 0.262 nan 8.300 nan 0.000 0.498 408 G N 0.997 109.888 108.800 0.151 0.000 2.562 408 G HA2 -0.273 3.687 3.960 0.000 0.000 0.223 408 G HA3 -0.273 3.687 3.960 0.000 0.000 0.223 408 G C 1.564 176.496 174.900 0.053 0.000 1.102 408 G CA 1.375 46.517 45.100 0.069 0.000 0.742 408 G HN 0.236 nan 8.290 nan 0.000 0.587 409 V N 0.957 120.915 119.914 0.074 0.000 2.324 409 V HA -0.191 3.929 4.120 0.000 0.000 0.250 409 V C 2.138 178.305 176.094 0.122 0.000 1.060 409 V CA 1.917 64.243 62.300 0.043 0.000 1.042 409 V CB -0.613 31.214 31.823 0.006 0.000 0.650 409 V HN 0.488 nan 8.190 nan 0.000 0.450 410 L N -1.461 119.822 121.223 0.100 0.000 2.984 410 L HA 0.422 4.762 4.340 0.000 0.000 0.246 410 L C 1.508 178.448 176.870 0.116 0.000 1.268 410 L CA 0.519 55.449 54.840 0.150 0.000 1.054 410 L CB -0.654 41.253 42.059 -0.253 0.000 1.393 410 L HN 0.175 nan 8.230 nan 0.000 0.532 411 E N 2.319 122.533 120.200 0.024 0.000 2.028 411 E HA -0.094 4.256 4.350 0.000 0.000 0.191 411 E C -0.544 175.961 176.600 -0.157 0.000 0.988 411 E CA 1.287 57.653 56.400 -0.057 0.000 0.799 411 E CB -0.766 28.897 29.700 -0.061 0.000 0.755 411 E HN 0.493 nan 8.360 nan 0.000 0.447 412 P HA -0.097 nan 4.420 nan 0.000 0.234 412 P C -0.276 176.598 177.300 -0.710 0.000 1.162 412 P CA 0.797 63.532 63.100 -0.607 0.000 0.759 412 P CB -0.287 30.927 31.700 -0.809 0.000 0.813 413 F N -0.412 119.485 119.950 -0.088 0.000 2.556 413 F HA 0.429 4.956 4.527 0.000 0.000 0.327 413 F C 0.709 176.457 175.800 -0.087 0.000 1.059 413 F CA -1.589 56.366 58.000 -0.076 0.000 0.953 413 F CB 0.164 39.116 39.000 -0.081 0.000 1.227 413 F HN -0.403 nan 8.300 nan 0.000 0.478 414 N N 1.614 120.408 118.700 0.157 0.000 2.469 414 N HA 0.388 5.128 4.740 0.000 0.000 0.239 414 N C -0.914 174.641 175.510 0.075 0.000 1.053 414 N CA -0.029 53.065 53.050 0.074 0.000 0.937 414 N CB 0.313 38.837 38.487 0.062 0.000 1.163 414 N HN 0.436 nan 8.380 nan 0.000 0.509 415 I N 1.349 121.932 120.570 0.021 0.000 2.385 415 I HA 0.276 4.446 4.170 0.000 0.000 0.294 415 I C 1.554 177.698 176.117 0.045 0.000 0.988 415 I CA -0.506 60.804 61.300 0.018 0.000 1.265 415 I CB 1.850 39.778 38.000 -0.121 0.000 1.388 415 I HN 0.401 nan 8.210 nan 0.000 0.480 416 R N 5.752 126.305 120.500 0.088 0.000 2.308 416 R HA 0.368 4.708 4.340 0.000 0.000 0.202 416 R C -0.318 176.023 176.300 0.068 0.000 0.898 416 R CA 0.311 56.450 56.100 0.066 0.000 1.046 416 R CB 0.717 31.055 30.300 0.063 0.000 1.026 416 R HN 0.695 nan 8.270 nan 0.000 0.512 417 M N 0.724 120.384 119.600 0.101 0.000 2.449 417 M HA 0.355 4.835 4.480 0.000 0.000 0.291 417 M C -2.147 174.240 176.300 0.144 0.000 1.148 417 M CA -0.447 54.911 55.300 0.095 0.000 0.925 417 M CB 2.143 34.793 32.600 0.083 0.000 1.767 417 M HN -0.140 nan 8.290 nan 0.000 0.503 418 I N 2.826 123.462 120.570 0.111 0.000 2.582 418 I HA 0.520 4.690 4.170 0.000 0.000 0.292 418 I C -1.250 174.943 176.117 0.126 0.000 1.066 418 I CA -0.696 60.688 61.300 0.140 0.000 1.053 418 I CB 2.270 40.310 38.000 0.066 0.000 1.241 418 I HN 0.640 nan 8.210 nan 0.000 0.421 419 C N 5.436 124.832 119.300 0.161 0.000 2.346 419 C HA 0.649 5.110 4.460 0.000 0.000 0.326 419 C C -0.931 174.189 174.990 0.216 0.000 1.224 419 C CA -0.598 58.504 59.018 0.140 0.000 1.408 419 C CB 0.472 28.270 27.740 0.097 0.000 2.089 419 C HN 0.678 nan 8.230 nan 0.000 0.456 420 Y N 1.455 121.778 120.300 0.038 0.000 2.519 420 Y HA 0.680 5.231 4.550 0.000 0.000 0.336 420 Y C 0.408 176.330 175.900 0.037 0.000 1.089 420 Y CA 0.646 58.774 58.100 0.046 0.000 1.025 420 Y CB 1.639 40.121 38.460 0.037 0.000 1.318 420 Y HN 0.838 nan 8.280 nan 0.000 0.452 421 G N 2.234 110.517 108.800 -0.863 0.000 2.352 421 G HA2 -0.203 3.757 3.960 0.000 0.000 0.204 421 G HA3 -0.203 3.757 3.960 0.000 0.000 0.204 421 G C 1.008 175.726 174.900 -0.303 0.000 1.004 421 G CA 0.259 44.992 45.100 -0.612 0.000 0.648 421 G HN 1.457 nan 8.290 nan 0.000 0.491 422 A N 0.003 122.707 122.820 -0.195 0.000 1.902 422 A HA 0.541 4.861 4.320 0.000 0.000 0.217 422 A C 1.568 179.089 177.584 -0.106 0.000 1.181 422 A CA 2.613 54.584 52.037 -0.110 0.000 0.623 422 A CB -0.289 18.674 19.000 -0.061 0.000 0.818 422 A HN 1.724 nan 8.150 nan 0.000 0.443 423 S N -1.799 113.831 115.700 -0.115 0.000 2.542 423 S HA 0.417 4.887 4.470 0.000 0.000 0.293 423 S C 0.764 175.297 174.600 -0.111 0.000 1.089 423 S CA 0.191 58.345 58.200 -0.076 0.000 0.961 423 S CB 1.764 64.959 63.200 -0.009 0.000 1.062 423 S HN 0.705 nan 8.310 nan 0.000 0.483 424 S N 2.435 118.048 115.700 -0.146 0.000 2.603 424 S HA 0.107 4.577 4.470 0.000 0.000 0.220 424 S C 0.730 175.135 174.600 -0.326 0.000 0.967 424 S CA 0.232 58.292 58.200 -0.234 0.000 0.920 424 S CB -0.391 62.622 63.200 -0.311 0.000 0.773 424 S HN 0.830 nan 8.310 nan 0.000 0.529 425 H N 0.404 119.452 119.070 -0.037 0.000 2.705 425 H HA 0.414 4.970 4.556 0.000 0.000 0.269 425 H C -0.113 175.215 175.328 -0.000 0.000 0.998 425 H CA -0.102 55.924 56.048 -0.037 0.000 1.193 425 H CB 0.193 29.913 29.762 -0.070 0.000 1.485 425 H HN 0.527 nan 8.280 nan 0.000 0.521 426 N N 0.515 119.284 118.700 0.114 0.000 2.242 426 N HA 0.366 5.106 4.740 0.000 0.000 0.292 426 N C -1.787 173.835 175.510 0.186 0.000 1.125 426 N CA -0.585 52.540 53.050 0.126 0.000 0.783 426 N CB 2.324 40.856 38.487 0.074 0.000 1.558 426 N HN 0.023 nan 8.380 nan 0.000 0.472 427 L N 3.737 125.101 121.223 0.234 0.000 2.541 427 L HA 0.611 4.951 4.340 0.000 0.000 0.266 427 L C -1.429 175.590 176.870 0.248 0.000 0.966 427 L CA -0.551 54.485 54.840 0.327 0.000 0.871 427 L CB 0.314 42.615 42.059 0.403 0.000 1.232 427 L HN 0.968 nan 8.230 nan 0.000 0.408 428 C N 1.951 121.370 119.300 0.198 0.000 2.889 428 C HA 0.934 5.394 4.460 0.000 0.000 0.307 428 C C -0.472 174.608 174.990 0.150 0.000 1.251 428 C CA -0.865 58.188 59.018 0.059 0.000 1.593 428 C CB 1.191 28.906 27.740 -0.042 0.000 2.104 428 C HN 0.781 nan 8.230 nan 0.000 0.476 429 F N -0.854 119.107 119.950 0.019 0.000 2.745 429 F HA 0.893 5.420 4.527 0.000 0.000 0.316 429 F C -1.811 173.984 175.800 -0.008 0.000 1.155 429 F CA -1.399 56.605 58.000 0.005 0.000 0.937 429 F CB 0.512 39.507 39.000 -0.009 0.000 1.361 429 F HN 0.553 nan 8.300 nan 0.000 0.472 430 L N 1.658 123.024 121.223 0.239 0.000 2.333 430 L HA 0.905 5.245 4.340 0.000 0.000 0.269 430 L C -0.797 176.215 176.870 0.235 0.000 1.010 430 L CA -0.975 53.936 54.840 0.118 0.000 0.818 430 L CB 1.894 43.998 42.059 0.075 0.000 1.306 430 L HN 0.775 nan 8.230 nan 0.000 0.430 431 V N 3.372 123.368 119.914 0.138 0.000 3.178 431 V HA 0.678 4.798 4.120 0.000 0.000 0.302 431 V C -2.542 173.596 176.094 0.074 0.000 1.262 431 V CA -1.810 60.575 62.300 0.142 0.000 1.030 431 V CB 3.119 35.058 31.823 0.192 0.000 1.074 431 V HN 0.686 nan 8.190 nan 0.000 0.438 432 P HA 0.190 nan 4.420 nan 0.000 0.271 432 P C 0.896 178.217 177.300 0.036 0.000 1.218 432 P CA 0.632 63.758 63.100 0.044 0.000 0.780 432 P CB 1.193 32.918 31.700 0.042 0.000 0.901 433 G N 3.412 112.225 108.800 0.022 0.000 2.574 433 G HA2 -0.337 3.623 3.960 0.000 0.000 0.220 433 G HA3 -0.337 3.623 3.960 0.000 0.000 0.220 433 G C 1.182 176.094 174.900 0.020 0.000 1.173 433 G CA 1.053 46.161 45.100 0.015 0.000 0.772 433 G HN 0.461 nan 8.290 nan 0.000 0.585 434 E N 1.204 121.419 120.200 0.024 0.000 2.108 434 E HA -0.126 4.224 4.350 0.000 0.000 0.203 434 E C 2.148 178.771 176.600 0.039 0.000 1.022 434 E CA 1.678 58.094 56.400 0.028 0.000 0.823 434 E CB -0.448 29.268 29.700 0.028 0.000 0.744 434 E HN 0.503 nan 8.360 nan 0.000 0.456 435 D N -0.055 120.377 120.400 0.053 0.000 2.149 435 D HA 0.000 4.640 4.640 0.000 0.000 0.201 435 D C 1.780 178.124 176.300 0.073 0.000 0.972 435 D CA 1.319 55.367 54.000 0.080 0.000 0.835 435 D CB -0.521 40.343 40.800 0.106 0.000 0.966 435 D HN 0.209 nan 8.370 nan 0.000 0.476 436 A N 1.704 124.550 122.820 0.044 0.000 1.920 436 A HA -0.377 3.943 4.320 0.000 0.000 0.229 436 A C 2.021 179.613 177.584 0.013 0.000 1.516 436 A CA 2.297 54.342 52.037 0.014 0.000 0.714 436 A CB -0.739 18.258 19.000 -0.005 0.000 0.845 436 A HN 0.191 nan 8.150 nan 0.000 0.493 437 E N -0.800 119.412 120.200 0.020 0.000 2.017 437 E HA -0.239 4.111 4.350 0.000 0.000 0.193 437 E C 2.188 178.819 176.600 0.051 0.000 0.997 437 E CA 1.752 58.164 56.400 0.021 0.000 0.804 437 E CB -0.604 29.105 29.700 0.016 0.000 0.757 437 E HN 0.805 nan 8.360 nan 0.000 0.448 438 Q N 0.774 120.620 119.800 0.078 0.000 2.077 438 Q HA -0.133 4.207 4.340 0.000 0.000 0.206 438 Q C 2.475 178.592 176.000 0.196 0.000 0.989 438 Q CA 1.388 57.264 55.803 0.122 0.000 0.853 438 Q CB -0.824 27.990 28.738 0.128 0.000 0.907 438 Q HN 0.111 nan 8.270 nan 0.000 0.418 439 V N -0.119 119.906 119.914 0.185 0.000 2.231 439 V HA -0.295 3.825 4.120 0.000 0.000 0.248 439 V C 2.173 178.275 176.094 0.014 0.000 1.054 439 V CA 1.885 64.231 62.300 0.077 0.000 1.015 439 V CB -0.912 30.822 31.823 -0.149 0.000 0.638 439 V HN 0.212 nan 8.190 nan 0.000 0.444 440 V N -0.289 119.633 119.914 0.013 0.000 2.255 440 V HA -0.350 3.770 4.120 0.000 0.000 0.247 440 V C 2.537 178.703 176.094 0.119 0.000 1.051 440 V CA 2.383 64.707 62.300 0.040 0.000 1.018 440 V CB -0.850 30.976 31.823 0.004 0.000 0.641 440 V HN 0.614 nan 8.190 nan 0.000 0.445 441 Q N -0.182 119.681 119.800 0.103 0.000 2.096 441 Q HA -0.255 4.085 4.340 0.000 0.000 0.204 441 Q C 2.305 178.418 176.000 0.188 0.000 0.982 441 Q CA 1.757 57.633 55.803 0.121 0.000 0.850 441 Q CB -0.265 28.520 28.738 0.079 0.000 0.901 441 Q HN 0.633 nan 8.270 nan 0.000 0.422 442 K N 0.544 121.073 120.400 0.215 0.000 2.031 442 K HA -0.062 4.258 4.320 0.000 0.000 0.205 442 K C 2.122 178.866 176.600 0.240 0.000 1.049 442 K CA 0.814 57.238 56.287 0.229 0.000 0.939 442 K CB -0.134 32.535 32.500 0.283 0.000 0.717 442 K HN 0.103 nan 8.250 nan 0.000 0.438 443 L N 0.428 121.823 121.223 0.287 0.000 2.079 443 L HA -0.254 4.086 4.340 0.000 0.000 0.210 443 L C 2.618 179.547 176.870 0.098 0.000 1.081 443 L CA 1.462 56.405 54.840 0.172 0.000 0.752 443 L CB -0.382 41.723 42.059 0.076 0.000 0.896 443 L HN 0.307 nan 8.230 nan 0.000 0.433 444 H N -0.775 118.375 119.070 0.134 0.000 2.293 444 H HA -0.144 4.412 4.556 0.000 0.000 0.300 444 H C 2.414 177.842 175.328 0.166 0.000 1.082 444 H CA 1.887 58.096 56.048 0.269 0.000 1.308 444 H CB 0.061 29.967 29.762 0.239 0.000 1.375 444 H HN 0.178 nan 8.280 nan 0.000 0.495 445 S N 0.171 115.996 115.700 0.208 0.000 2.368 445 S HA -0.278 4.192 4.470 0.000 0.000 0.226 445 S C 1.719 176.312 174.600 -0.011 0.000 1.044 445 S CA 1.799 60.064 58.200 0.108 0.000 1.062 445 S CB -0.588 62.678 63.200 0.109 0.000 0.931 445 S HN 0.824 nan 8.310 nan 0.000 0.440 446 N N 0.317 118.987 118.700 -0.050 0.000 2.463 446 N HA 0.072 4.812 4.740 0.000 0.000 0.181 446 N C 1.162 176.536 175.510 -0.227 0.000 1.078 446 N CA 0.286 53.272 53.050 -0.106 0.000 0.902 446 N CB -0.056 38.385 38.487 -0.077 0.000 0.970 446 N HN 0.218 nan 8.380 nan 0.000 0.451 447 L N -1.154 119.821 121.223 -0.414 0.000 2.425 447 L HA 0.297 4.637 4.340 0.000 0.000 0.215 447 L C 0.815 177.146 176.870 -0.898 0.000 1.065 447 L CA 0.943 55.320 54.840 -0.771 0.000 0.842 447 L CB 0.111 41.407 42.059 -1.273 0.000 1.033 447 L HN 0.081 nan 8.230 nan 0.000 0.474 448 F N -1.725 118.081 119.950 -0.240 0.000 2.495 448 F HA 0.256 4.784 4.527 0.000 0.000 0.272 448 F C 1.320 177.013 175.800 -0.178 0.000 0.919 448 F CA -0.805 57.040 58.000 -0.259 0.000 1.178 448 F CB -0.364 38.325 39.000 -0.519 0.000 1.030 448 F HN -0.220 nan 8.300 nan 0.000 0.777 449 E N 0.000 120.195 120.200 -0.009 0.000 2.725 449 E HA 0.000 4.350 4.350 0.000 0.000 0.291 449 E CA 0.000 56.438 56.400 0.064 0.000 0.976 449 E CB 0.000 29.776 29.700 0.126 0.000 0.812 449 E HN 0.000 nan 8.360 nan 0.000 0.440