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 2wus_1_A DATA FIRST_RESID 2 DATA SEQUENCE LRKDIGIDLG TANTLVFLRG KGIVVNEPSV IAIDSTTGEI LKVGLEAKNM DATA SEQUENCE IGKTPATIKA IRPMRDGVIA DYTVALVMLR YFINKAKGGM NLFKPRVVIG DATA SEQUENCE VPIGITDVER RAILDAGLEA GASKVFLIEE PMAAAIGSNL NVEEPSGNMV DATA SEQUENCE VDIGGGTTEV AVISLGSIVT WESIRIAGDE MDEAIVQYVR ETYRVAIGER DATA SEQUENCE TAERVKIEIG NVFPSKENDE LETTVSGIDL STGLPRKLTL KGGEVREALR DATA SEQUENCE SVVVAIVESV RTTLEKTPPE LVSDIIERGI FLTGGGSLLR GLDTLLQKET DATA SEQUENCE GISVIRSEEP LTAVAKGAGM VLDKVNILKK LQGAG 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 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.796 176.870 -0.124 0.000 1.165 2 L CA 0.000 54.813 54.840 -0.044 0.000 0.813 2 L CB 0.000 42.064 42.059 0.008 0.000 0.961 3 R N 1.588 121.955 120.500 -0.222 0.000 2.064 3 R HA -0.002 4.339 4.340 0.001 0.000 0.228 3 R C 0.354 176.600 176.300 -0.089 0.000 1.144 3 R CA 1.514 57.464 56.100 -0.250 0.000 0.932 3 R CB -0.094 29.995 30.300 -0.352 0.000 0.833 3 R HN 0.433 nan 8.270 nan 0.000 0.429 4 K N 0.308 120.695 120.400 -0.022 0.000 2.095 4 K HA 0.311 4.631 4.320 0.001 0.000 0.252 4 K C -1.043 175.572 176.600 0.025 0.000 0.977 4 K CA -0.849 55.438 56.287 0.000 0.000 0.900 4 K CB 1.389 33.893 32.500 0.008 0.000 1.060 4 K HN -0.046 nan 8.250 nan 0.000 0.449 5 D N 2.025 122.446 120.400 0.035 0.000 2.375 5 D HA 0.429 5.069 4.640 0.001 0.000 0.247 5 D C -0.342 176.012 176.300 0.089 0.000 1.061 5 D CA -0.412 53.628 54.000 0.068 0.000 0.834 5 D CB 1.588 42.429 40.800 0.068 0.000 1.247 5 D HN 0.602 nan 8.370 nan 0.000 0.489 6 I N -1.727 118.908 120.570 0.108 0.000 2.686 6 I HA 0.773 4.943 4.170 0.001 0.000 0.295 6 I C -0.207 175.998 176.117 0.147 0.000 1.114 6 I CA -1.078 60.299 61.300 0.129 0.000 1.038 6 I CB 2.421 40.474 38.000 0.089 0.000 1.238 6 I HN 0.275 nan 8.210 nan 0.000 0.420 7 G N 6.037 114.950 108.800 0.190 0.000 2.379 7 G HA2 0.710 4.671 3.960 0.001 0.000 0.327 7 G HA3 0.710 4.671 3.960 0.001 0.000 0.327 7 G C -0.887 174.082 174.900 0.115 0.000 1.145 7 G CA -0.721 44.460 45.100 0.136 0.000 0.905 7 G HN 0.623 nan 8.290 nan 0.000 0.466 8 I N 1.580 122.190 120.570 0.067 0.000 2.378 8 I HA 0.200 4.371 4.170 0.001 0.000 0.291 8 I C -0.952 175.163 176.117 -0.003 0.000 0.992 8 I CA -0.717 60.598 61.300 0.025 0.000 1.154 8 I CB 2.287 40.298 38.000 0.018 0.000 1.315 8 I HN 0.378 nan 8.210 nan 0.000 0.448 9 D N 7.887 128.270 120.400 -0.029 0.000 2.499 9 D HA 0.297 4.937 4.640 0.001 0.000 0.225 9 D C -0.471 175.779 176.300 -0.084 0.000 1.124 9 D CA -0.316 53.659 54.000 -0.042 0.000 0.938 9 D CB 0.390 41.172 40.800 -0.029 0.000 1.014 9 D HN 0.318 nan 8.370 nan 0.000 0.517 10 L N 3.045 124.221 121.223 -0.078 0.000 2.500 10 L HA 0.441 4.781 4.340 0.001 0.000 0.272 10 L C 1.251 178.083 176.870 -0.064 0.000 1.149 10 L CA -0.094 54.689 54.840 -0.095 0.000 0.897 10 L CB 0.798 42.825 42.059 -0.054 0.000 1.178 10 L HN 0.370 nan 8.230 nan 0.000 0.473 11 G N 0.460 109.215 108.800 -0.074 0.000 2.600 11 G HA2 0.454 4.415 3.960 0.001 0.000 0.303 11 G HA3 0.454 4.415 3.960 0.001 0.000 0.303 11 G C 0.562 175.446 174.900 -0.026 0.000 1.253 11 G CA -0.076 44.999 45.100 -0.041 0.000 0.974 11 G HN 0.554 nan 8.290 nan 0.000 0.483 12 T N -2.949 111.599 114.554 -0.010 0.000 3.129 12 T HA 0.442 4.793 4.350 0.001 0.000 0.251 12 T C 1.373 176.076 174.700 0.004 0.000 1.117 12 T CA 1.127 63.228 62.100 0.002 0.000 1.034 12 T CB 0.377 69.249 68.868 0.007 0.000 0.968 12 T HN 0.684 nan 8.240 nan 0.000 0.526 13 A N 1.932 124.751 122.820 -0.002 0.000 2.084 13 A HA 0.608 4.928 4.320 0.001 0.000 0.211 13 A C 0.151 177.738 177.584 0.006 0.000 2.280 13 A CA -0.352 51.688 52.037 0.005 0.000 1.128 13 A CB 0.125 19.127 19.000 0.003 0.000 1.248 13 A HN 0.428 nan 8.150 nan 0.000 0.624 14 N N -0.052 118.643 118.700 -0.008 0.000 2.314 14 N HA 0.536 5.276 4.740 0.001 0.000 0.304 14 N C -1.268 174.192 175.510 -0.082 0.000 1.073 14 N CA -0.125 52.915 53.050 -0.016 0.000 0.822 14 N CB 1.699 40.189 38.487 0.005 0.000 1.280 14 N HN 0.217 nan 8.380 nan 0.000 0.489 15 T N 2.063 116.507 114.554 -0.182 0.000 2.856 15 T HA 0.373 4.724 4.350 0.001 0.000 0.292 15 T C -0.480 174.061 174.700 -0.265 0.000 0.980 15 T CA -0.299 61.582 62.100 -0.366 0.000 1.091 15 T CB 0.359 68.673 68.868 -0.924 0.000 0.936 15 T HN 0.039 nan 8.240 nan 0.000 0.503 16 L N 4.161 125.282 121.223 -0.170 0.000 2.341 16 L HA 0.595 4.935 4.340 0.001 0.000 0.278 16 L C -0.572 176.277 176.870 -0.034 0.000 1.005 16 L CA -0.687 54.118 54.840 -0.058 0.000 0.818 16 L CB 1.870 43.925 42.059 -0.006 0.000 1.259 16 L HN 0.408 nan 8.230 nan 0.000 0.418 17 V N 4.500 124.427 119.914 0.021 0.000 2.409 17 V HA 0.369 4.489 4.120 0.001 0.000 0.291 17 V C -0.453 175.703 176.094 0.104 0.000 1.020 17 V CA -0.738 61.599 62.300 0.062 0.000 0.848 17 V CB 1.787 33.650 31.823 0.066 0.000 0.990 17 V HN 0.523 nan 8.190 nan 0.000 0.430 18 F N 5.969 125.921 119.950 0.004 0.000 2.410 18 F HA 0.575 5.102 4.527 0.001 0.000 0.349 18 F C -0.288 175.519 175.800 0.011 0.000 1.117 18 F CA -0.524 57.480 58.000 0.007 0.000 1.104 18 F CB 0.933 39.934 39.000 0.003 0.000 1.122 18 F HN 0.368 nan 8.300 nan 0.000 0.483 19 L N 7.627 128.467 121.223 -0.639 0.000 2.295 19 L HA 0.498 4.838 4.340 0.001 0.000 0.285 19 L C -0.363 176.129 176.870 -0.631 0.000 1.035 19 L CA -0.641 53.948 54.840 -0.417 0.000 0.806 19 L CB 1.269 43.160 42.059 -0.280 0.000 1.214 19 L HN 0.722 nan 8.230 nan 0.000 0.426 20 R N 2.743 123.154 120.500 -0.148 0.000 2.347 20 R HA 0.363 4.703 4.340 0.001 0.000 0.304 20 R C 0.811 177.078 176.300 -0.056 0.000 1.072 20 R CA 0.846 56.956 56.100 0.017 0.000 0.980 20 R CB 0.670 31.056 30.300 0.142 0.000 0.986 20 R HN 1.010 nan 8.270 nan 0.000 0.448 21 G N 2.186 110.963 108.800 -0.038 0.000 2.176 21 G HA2 -0.258 3.702 3.960 0.001 0.000 0.232 21 G HA3 -0.258 3.702 3.960 0.001 0.000 0.232 21 G C 0.653 175.501 174.900 -0.086 0.000 0.986 21 G CA 0.304 45.379 45.100 -0.041 0.000 0.643 21 G HN 0.598 nan 8.290 nan 0.000 0.522 22 K N -1.091 119.198 120.400 -0.186 0.000 2.625 22 K HA 0.507 4.828 4.320 0.001 0.000 0.202 22 K C 1.103 177.555 176.600 -0.247 0.000 1.412 22 K CA 0.933 57.106 56.287 -0.190 0.000 0.989 22 K CB 1.359 33.745 32.500 -0.190 0.000 1.682 22 K HN 1.398 nan 8.250 nan 0.000 0.496 23 G N 1.235 109.707 108.800 -0.546 0.000 2.293 23 G HA2 -0.029 3.932 3.960 0.001 0.000 0.282 23 G HA3 -0.029 3.932 3.960 0.001 0.000 0.282 23 G C -1.300 173.291 174.900 -0.514 0.000 1.299 23 G CA -0.842 43.955 45.100 -0.505 0.000 1.018 23 G HN -0.005 nan 8.290 nan 0.000 0.478 24 I N 2.410 122.927 120.570 -0.088 0.000 2.691 24 I HA 0.091 4.262 4.170 0.001 0.000 0.288 24 I C 1.977 178.066 176.117 -0.047 0.000 1.143 24 I CA 0.675 61.978 61.300 0.004 0.000 1.364 24 I CB 0.144 38.200 38.000 0.094 0.000 1.435 24 I HN 0.850 nan 8.210 nan 0.000 0.551 25 V N 5.165 125.036 119.914 -0.072 0.000 3.647 25 V HA 0.231 4.351 4.120 0.001 0.000 0.279 25 V C 0.461 176.558 176.094 0.006 0.000 1.314 25 V CA 0.117 62.388 62.300 -0.049 0.000 1.125 25 V CB 0.257 32.034 31.823 -0.078 0.000 0.907 25 V HN 0.381 nan 8.190 nan 0.000 0.434 26 V N 1.447 121.383 119.914 0.037 0.000 2.610 26 V HA 0.440 4.560 4.120 0.001 0.000 0.298 26 V C -1.038 175.109 176.094 0.088 0.000 1.067 26 V CA -0.562 61.793 62.300 0.091 0.000 0.894 26 V CB 1.477 33.395 31.823 0.159 0.000 1.015 26 V HN 0.497 nan 8.190 nan 0.000 0.432 27 N N 3.543 122.303 118.700 0.099 0.000 2.617 27 N HA 0.467 5.208 4.740 0.001 0.000 0.263 27 N C -1.064 174.523 175.510 0.129 0.000 1.074 27 N CA -0.325 52.775 53.050 0.084 0.000 0.841 27 N CB 1.241 39.762 38.487 0.055 0.000 1.221 27 N HN 0.791 nan 8.380 nan 0.000 0.529 28 E N 2.105 122.424 120.200 0.200 0.000 2.317 28 E HA 0.396 4.746 4.350 0.001 0.000 0.270 28 E C -2.751 173.992 176.600 0.237 0.000 0.885 28 E CA -2.133 54.426 56.400 0.265 0.000 0.760 28 E CB 2.532 32.494 29.700 0.437 0.000 1.227 28 E HN 0.348 nan 8.360 nan 0.000 0.434 29 P HA 0.021 nan 4.420 nan 0.000 0.268 29 P C -0.498 176.914 177.300 0.187 0.000 1.205 29 P CA -0.036 63.140 63.100 0.126 0.000 0.771 29 P CB 0.470 32.220 31.700 0.082 0.000 0.858 30 S N 1.282 117.053 115.700 0.119 0.000 4.085 30 S HA 0.226 4.697 4.470 0.001 0.000 0.189 30 S C 0.039 174.704 174.600 0.109 0.000 1.392 30 S CA -0.120 58.164 58.200 0.140 0.000 0.972 30 S CB -0.879 62.348 63.200 0.046 0.000 1.482 30 S HN 0.169 nan 8.310 nan 0.000 0.446 31 V N 3.234 123.206 119.914 0.098 0.000 2.686 31 V HA 0.518 4.638 4.120 0.001 0.000 0.306 31 V C -0.220 175.853 176.094 -0.035 0.000 1.065 31 V CA -0.982 61.334 62.300 0.026 0.000 0.894 31 V CB 2.068 33.899 31.823 0.014 0.000 1.004 31 V HN 0.628 nan 8.190 nan 0.000 0.424 32 I N 2.589 123.133 120.570 -0.045 0.000 2.441 32 I HA 0.939 5.109 4.170 0.001 0.000 0.295 32 I C -0.031 176.048 176.117 -0.064 0.000 0.994 32 I CA -0.491 60.756 61.300 -0.088 0.000 1.144 32 I CB 1.839 39.784 38.000 -0.092 0.000 1.314 32 I HN 0.694 nan 8.210 nan 0.000 0.445 33 A N 8.746 131.521 122.820 -0.076 0.000 2.249 33 A HA 0.674 4.995 4.320 0.001 0.000 0.314 33 A C -0.257 177.298 177.584 -0.049 0.000 1.290 33 A CA -0.757 51.249 52.037 -0.053 0.000 0.893 33 A CB 0.420 19.389 19.000 -0.052 0.000 1.165 33 A HN 0.798 nan 8.150 nan 0.000 0.530 34 I N 0.678 121.228 120.570 -0.035 0.000 2.562 34 I HA 0.527 4.697 4.170 0.001 0.000 0.301 34 I C -0.584 175.520 176.117 -0.022 0.000 1.003 34 I CA -0.901 60.381 61.300 -0.029 0.000 1.127 34 I CB 1.994 39.980 38.000 -0.024 0.000 1.304 34 I HN 0.664 nan 8.210 nan 0.000 0.446 35 D N 3.835 124.223 120.400 -0.019 0.000 2.390 35 D HA -0.030 4.610 4.640 0.001 0.000 0.249 35 D C 0.965 177.258 176.300 -0.011 0.000 1.144 35 D CA -0.131 53.860 54.000 -0.015 0.000 0.880 35 D CB 1.780 42.572 40.800 -0.014 0.000 1.182 35 D HN 0.715 nan 8.370 nan 0.000 0.451 36 S N 1.810 117.505 115.700 -0.009 0.000 2.537 36 S HA -0.138 4.333 4.470 0.001 0.000 0.240 36 S C 1.201 175.798 174.600 -0.005 0.000 0.981 36 S CA 1.076 59.272 58.200 -0.007 0.000 0.948 36 S CB -0.362 62.835 63.200 -0.006 0.000 0.759 36 S HN 0.644 nan 8.310 nan 0.000 0.531 37 T N 0.819 115.370 114.554 -0.006 0.000 3.151 37 T HA 0.090 4.441 4.350 0.001 0.000 0.239 37 T C 1.901 176.599 174.700 -0.004 0.000 0.979 37 T CA 0.810 62.907 62.100 -0.004 0.000 1.194 37 T CB -0.814 68.052 68.868 -0.004 0.000 0.982 37 T HN 0.367 nan 8.240 nan 0.000 0.428 38 T N 0.811 115.362 114.554 -0.006 0.000 2.896 38 T HA 0.298 4.649 4.350 0.001 0.000 0.263 38 T C 1.632 176.329 174.700 -0.006 0.000 1.050 38 T CA 1.200 63.297 62.100 -0.005 0.000 1.140 38 T CB -0.583 68.281 68.868 -0.007 0.000 0.877 38 T HN 0.705 nan 8.240 nan 0.000 0.457 39 G N 2.055 110.850 108.800 -0.007 0.000 2.165 39 G HA2 -0.213 3.748 3.960 0.001 0.000 0.226 39 G HA3 -0.213 3.748 3.960 0.001 0.000 0.226 39 G C -0.186 174.707 174.900 -0.012 0.000 1.035 39 G CA 0.007 45.102 45.100 -0.008 0.000 0.744 39 G HN 0.584 nan 8.290 nan 0.000 0.501 40 E N 0.490 120.682 120.200 -0.014 0.000 2.052 40 E HA 0.404 4.754 4.350 0.001 0.000 0.283 40 E C 1.005 177.590 176.600 -0.025 0.000 1.071 40 E CA -0.862 55.528 56.400 -0.017 0.000 0.851 40 E CB 0.097 29.787 29.700 -0.015 0.000 1.066 40 E HN 0.397 nan 8.360 nan 0.000 0.396 41 I N 6.563 127.116 120.570 -0.029 0.000 2.872 41 I HA -0.186 3.984 4.170 0.001 0.000 0.287 41 I C 1.112 177.201 176.117 -0.047 0.000 1.197 41 I CA 0.340 61.615 61.300 -0.042 0.000 1.390 41 I CB 0.274 38.246 38.000 -0.047 0.000 1.400 41 I HN 0.699 nan 8.210 nan 0.000 0.544 42 L N 5.810 127.001 121.223 -0.054 0.000 2.276 42 L HA 0.196 4.536 4.340 0.001 0.000 0.194 42 L C 0.842 177.667 176.870 -0.075 0.000 1.099 42 L CA 0.745 55.553 54.840 -0.052 0.000 0.800 42 L CB -0.120 41.913 42.059 -0.043 0.000 0.994 42 L HN 0.480 nan 8.230 nan 0.000 0.475 43 K N -0.182 120.157 120.400 -0.102 0.000 2.443 43 K HA 0.625 4.945 4.320 0.001 0.000 0.251 43 K C -1.238 175.210 176.600 -0.254 0.000 0.972 43 K CA -0.586 55.607 56.287 -0.156 0.000 0.833 43 K CB 3.080 35.508 32.500 -0.119 0.000 1.317 43 K HN -0.278 nan 8.250 nan 0.000 0.441 44 V N 0.368 120.001 119.914 -0.467 0.000 2.735 44 V HA 0.696 4.816 4.120 0.001 0.000 0.310 44 V C 0.542 176.150 176.094 -0.811 0.000 1.061 44 V CA 0.266 62.145 62.300 -0.700 0.000 0.913 44 V CB 1.386 32.602 31.823 -1.012 0.000 1.005 44 V HN 1.035 nan 8.190 nan 0.000 0.428 45 G N 2.549 111.082 108.800 -0.444 0.000 2.488 45 G HA2 -0.170 3.790 3.960 0.001 0.000 0.237 45 G HA3 -0.170 3.790 3.960 0.001 0.000 0.237 45 G C 0.565 175.448 174.900 -0.028 0.000 1.209 45 G CA 0.163 45.173 45.100 -0.151 0.000 0.929 45 G HN 1.019 nan 8.290 nan 0.000 0.578 46 L N 1.224 122.478 121.223 0.053 0.000 2.046 46 L HA 0.048 4.389 4.340 0.001 0.000 0.208 46 L C 2.343 179.220 176.870 0.011 0.000 1.077 46 L CA 3.346 58.217 54.840 0.052 0.000 0.747 46 L CB -1.446 40.663 42.059 0.083 0.000 0.896 46 L HN 0.848 nan 8.230 nan 0.000 0.432 47 E N -0.277 119.920 120.200 -0.004 0.000 2.273 47 E HA -0.215 4.136 4.350 0.001 0.000 0.198 47 E C 1.984 178.556 176.600 -0.047 0.000 1.002 47 E CA 1.318 57.703 56.400 -0.024 0.000 0.828 47 E CB 0.020 29.699 29.700 -0.034 0.000 0.747 47 E HN 0.713 nan 8.360 nan 0.000 0.491 48 A N 0.255 123.034 122.820 -0.069 0.000 2.063 48 A HA -0.008 4.312 4.320 0.001 0.000 0.211 48 A C 1.885 179.450 177.584 -0.031 0.000 1.177 48 A CA 0.627 52.624 52.037 -0.065 0.000 0.759 48 A CB 0.043 18.983 19.000 -0.101 0.000 0.857 48 A HN -0.005 nan 8.150 nan 0.000 0.468 49 K N 0.829 121.220 120.400 -0.014 0.000 2.097 49 K HA -0.065 4.255 4.320 0.001 0.000 0.205 49 K C 1.586 178.186 176.600 -0.000 0.000 1.050 49 K CA 1.905 58.193 56.287 0.002 0.000 0.938 49 K CB -0.355 32.156 32.500 0.018 0.000 0.718 49 K HN 0.640 nan 8.250 nan 0.000 0.442 50 N N 0.110 118.809 118.700 -0.002 0.000 2.062 50 N HA -0.139 4.601 4.740 0.001 0.000 0.191 50 N C 1.723 177.230 175.510 -0.005 0.000 1.042 50 N CA 1.682 54.731 53.050 -0.001 0.000 0.845 50 N CB -0.177 38.311 38.487 0.001 0.000 1.024 50 N HN 0.323 nan 8.380 nan 0.000 0.424 51 M N -0.094 119.499 119.600 -0.012 0.000 2.630 51 M HA 0.117 4.597 4.480 0.001 0.000 0.254 51 M C 1.337 177.630 176.300 -0.013 0.000 1.092 51 M CA 1.206 56.498 55.300 -0.013 0.000 1.087 51 M CB -0.004 32.585 32.600 -0.019 0.000 1.453 51 M HN 0.079 nan 8.290 nan 0.000 0.509 52 I N 0.445 121.008 120.570 -0.012 0.000 3.226 52 I HA 0.109 4.280 4.170 0.001 0.000 0.277 52 I C 2.071 178.186 176.117 -0.005 0.000 1.243 52 I CA 0.765 62.059 61.300 -0.009 0.000 1.459 52 I CB 0.122 38.116 38.000 -0.009 0.000 1.093 52 I HN 0.520 nan 8.210 nan 0.000 0.453 53 G N -0.430 108.368 108.800 -0.003 0.000 2.762 53 G HA2 -0.025 3.935 3.960 0.001 0.000 0.209 53 G HA3 -0.025 3.935 3.960 0.001 0.000 0.209 53 G C 1.594 176.493 174.900 -0.002 0.000 1.134 53 G CA -0.067 45.032 45.100 -0.001 0.000 0.781 53 G HN 0.177 nan 8.290 nan 0.000 0.528 54 K N 0.035 120.434 120.400 -0.003 0.000 2.067 54 K HA 0.041 4.362 4.320 0.001 0.000 0.203 54 K C 0.326 176.923 176.600 -0.004 0.000 1.048 54 K CA 1.107 57.392 56.287 -0.003 0.000 0.954 54 K CB 0.220 32.718 32.500 -0.004 0.000 0.737 54 K HN 0.140 nan 8.250 nan 0.000 0.444 55 T N 1.771 116.322 114.554 -0.006 0.000 3.504 55 T HA 0.201 4.551 4.350 0.001 0.000 0.286 55 T C -2.501 172.195 174.700 -0.006 0.000 1.530 55 T CA -1.070 61.026 62.100 -0.006 0.000 1.652 55 T CB 1.376 70.240 68.868 -0.007 0.000 0.895 55 T HN -0.048 nan 8.240 nan 0.000 0.674 56 P HA 0.156 nan 4.420 nan 0.000 0.229 56 P C 1.306 178.604 177.300 -0.004 0.000 1.160 56 P CA 0.222 63.320 63.100 -0.005 0.000 0.777 56 P CB 0.132 31.831 31.700 -0.003 0.000 0.814 57 A N -0.873 121.944 122.820 -0.004 0.000 2.218 57 A HA 0.078 4.398 4.320 0.001 0.000 0.209 57 A C 1.098 178.679 177.584 -0.004 0.000 1.168 57 A CA 0.943 52.978 52.037 -0.004 0.000 0.804 57 A CB -0.837 18.161 19.000 -0.003 0.000 0.834 57 A HN 0.175 nan 8.150 nan 0.000 0.482 58 T N -0.670 113.881 114.554 -0.006 0.000 3.355 58 T HA 0.641 4.992 4.350 0.001 0.000 0.276 58 T C -0.257 174.437 174.700 -0.009 0.000 1.003 58 T CA -0.020 62.076 62.100 -0.007 0.000 0.943 58 T CB -0.475 68.388 68.868 -0.007 0.000 1.158 58 T HN 0.204 nan 8.240 nan 0.000 0.513 59 I N 0.665 121.230 120.570 -0.009 0.000 2.785 59 I HA 0.352 4.522 4.170 0.001 0.000 0.293 59 I C -1.296 174.815 176.117 -0.009 0.000 1.446 59 I CA -0.902 60.391 61.300 -0.011 0.000 1.028 59 I CB 3.232 41.224 38.000 -0.014 0.000 1.349 59 I HN -0.057 nan 8.210 nan 0.000 0.438 60 K N 4.443 124.837 120.400 -0.011 0.000 2.235 60 K HA 0.796 5.116 4.320 0.001 0.000 0.266 60 K C -0.760 175.834 176.600 -0.011 0.000 0.980 60 K CA -0.399 55.883 56.287 -0.008 0.000 0.849 60 K CB 1.689 34.185 32.500 -0.007 0.000 1.098 60 K HN 0.636 nan 8.250 nan 0.000 0.445 61 A N 5.970 128.786 122.820 -0.008 0.000 2.260 61 A HA 0.488 4.808 4.320 0.001 0.000 0.308 61 A C -0.505 177.077 177.584 -0.004 0.000 1.254 61 A CA -0.669 51.363 52.037 -0.008 0.000 0.874 61 A CB 0.149 19.146 19.000 -0.004 0.000 1.153 61 A HN 0.736 nan 8.150 nan 0.000 0.527 62 I N 2.954 123.520 120.570 -0.007 0.000 2.406 62 I HA 0.350 4.521 4.170 0.001 0.000 0.290 62 I C -0.138 175.983 176.117 0.006 0.000 0.999 62 I CA -0.452 60.848 61.300 -0.000 0.000 1.124 62 I CB 1.793 39.791 38.000 -0.004 0.000 1.289 62 I HN 0.691 nan 8.210 nan 0.000 0.441 63 R N 6.632 127.140 120.500 0.014 0.000 2.272 63 R HA 0.311 4.652 4.340 0.001 0.000 0.323 63 R C -1.951 174.364 176.300 0.025 0.000 1.002 63 R CA -1.488 54.626 56.100 0.022 0.000 0.900 63 R CB 1.091 31.404 30.300 0.021 0.000 1.151 63 R HN 0.351 nan 8.270 nan 0.000 0.507 64 P HA -0.140 nan 4.420 nan 0.000 0.217 64 P C 0.156 177.477 177.300 0.034 0.000 1.148 64 P CA 1.315 64.434 63.100 0.032 0.000 0.828 64 P CB 0.296 32.020 31.700 0.040 0.000 0.783 65 M N -0.116 119.502 119.600 0.031 0.000 2.589 65 M HA 0.191 4.671 4.480 0.001 0.000 0.340 65 M C 1.449 177.763 176.300 0.024 0.000 1.308 65 M CA -0.237 55.079 55.300 0.027 0.000 1.332 65 M CB 0.061 32.672 32.600 0.018 0.000 1.219 65 M HN -0.053 nan 8.290 nan 0.000 0.467 66 R N 1.590 122.105 120.500 0.027 0.000 2.097 66 R HA -0.198 4.143 4.340 0.001 0.000 0.236 66 R C 0.788 177.101 176.300 0.022 0.000 1.135 66 R CA 2.244 58.358 56.100 0.024 0.000 0.934 66 R CB 0.301 30.617 30.300 0.026 0.000 0.846 66 R HN 0.569 nan 8.270 nan 0.000 0.431 67 D N -2.890 117.524 120.400 0.023 0.000 3.061 67 D HA 0.140 4.780 4.640 0.001 0.000 0.243 67 D C 1.300 177.612 176.300 0.020 0.000 1.572 67 D CA 1.213 55.227 54.000 0.022 0.000 1.269 67 D CB 0.113 40.928 40.800 0.025 0.000 1.023 67 D HN 0.308 nan 8.370 nan 0.000 0.280 68 G N 0.408 109.220 108.800 0.021 0.000 2.759 68 G HA2 0.294 4.254 3.960 0.001 0.000 0.197 68 G HA3 0.294 4.254 3.960 0.001 0.000 0.197 68 G C 0.782 175.691 174.900 0.015 0.000 1.067 68 G CA 0.686 45.796 45.100 0.016 0.000 0.742 68 G HN 0.313 nan 8.290 nan 0.000 0.651 69 V N -0.390 119.537 119.914 0.021 0.000 3.815 69 V HA 0.688 4.808 4.120 0.001 0.000 0.284 69 V C 0.330 176.446 176.094 0.036 0.000 1.266 69 V CA -1.378 60.937 62.300 0.026 0.000 0.923 69 V CB 0.846 32.685 31.823 0.026 0.000 1.267 69 V HN 0.333 nan 8.190 nan 0.000 0.461 70 I N -0.832 119.768 120.570 0.050 0.000 2.315 70 I HA 0.787 4.958 4.170 0.001 0.000 0.291 70 I C 0.626 176.788 176.117 0.075 0.000 1.006 70 I CA -0.243 61.098 61.300 0.069 0.000 1.265 70 I CB 1.251 39.314 38.000 0.105 0.000 1.387 70 I HN 0.727 nan 8.210 nan 0.000 0.475 71 A N 4.433 127.292 122.820 0.066 0.000 1.941 71 A HA 0.077 4.397 4.320 0.001 0.000 0.214 71 A C 0.961 178.594 177.584 0.081 0.000 1.368 71 A CA 0.429 52.503 52.037 0.062 0.000 0.651 71 A CB -0.195 18.832 19.000 0.044 0.000 1.064 71 A HN 0.750 nan 8.150 nan 0.000 0.492 72 D N -0.475 119.968 120.400 0.070 0.000 2.517 72 D HA 0.180 4.821 4.640 0.001 0.000 0.220 72 D C 0.505 176.856 176.300 0.086 0.000 1.158 72 D CA -0.440 53.603 54.000 0.072 0.000 0.992 72 D CB -0.036 40.787 40.800 0.039 0.000 1.058 72 D HN 0.378 nan 8.370 nan 0.000 0.516 73 Y N 2.111 122.421 120.300 0.017 0.000 2.298 73 Y HA -0.291 4.260 4.550 0.001 0.000 0.287 73 Y C 1.734 177.646 175.900 0.020 0.000 1.164 73 Y CA 1.953 60.064 58.100 0.019 0.000 1.229 73 Y CB 0.013 38.482 38.460 0.015 0.000 0.977 73 Y HN 0.193 nan 8.280 nan 0.000 0.538 74 T N -1.178 113.341 114.554 -0.058 0.000 2.942 74 T HA -0.093 4.257 4.350 0.001 0.000 0.265 74 T C 1.978 176.596 174.700 -0.136 0.000 1.062 74 T CA 1.279 63.299 62.100 -0.134 0.000 1.139 74 T CB -0.620 68.250 68.868 0.003 0.000 0.883 74 T HN 0.214 nan 8.240 nan 0.000 0.468 75 V N 1.757 121.627 119.914 -0.074 0.000 2.379 75 V HA -0.046 4.074 4.120 0.001 0.000 0.245 75 V C 2.935 178.992 176.094 -0.062 0.000 1.044 75 V CA 1.329 63.597 62.300 -0.052 0.000 1.036 75 V CB -1.327 30.485 31.823 -0.018 0.000 0.664 75 V HN 0.518 nan 8.190 nan 0.000 0.453 76 A N 0.268 123.040 122.820 -0.080 0.000 1.837 76 A HA -0.261 4.059 4.320 0.001 0.000 0.216 76 A C 2.253 179.769 177.584 -0.113 0.000 1.210 76 A CA 2.304 54.300 52.037 -0.068 0.000 0.632 76 A CB -0.987 17.975 19.000 -0.063 0.000 0.843 76 A HN 0.425 nan 8.150 nan 0.000 0.448 77 L N -0.552 120.495 121.223 -0.293 0.000 2.143 77 L HA -0.345 3.995 4.340 0.001 0.000 0.231 77 L C 2.478 179.283 176.870 -0.108 0.000 1.106 77 L CA 2.427 57.102 54.840 -0.275 0.000 0.827 77 L CB -0.361 41.432 42.059 -0.444 0.000 0.915 77 L HN 0.333 nan 8.230 nan 0.000 0.448 78 V N -1.053 118.807 119.914 -0.090 0.000 2.379 78 V HA -0.341 3.780 4.120 0.001 0.000 0.245 78 V C 2.233 178.335 176.094 0.012 0.000 1.044 78 V CA 2.117 64.395 62.300 -0.037 0.000 1.036 78 V CB -0.355 31.438 31.823 -0.050 0.000 0.664 78 V HN 0.489 nan 8.190 nan 0.000 0.453 79 M N -0.618 119.000 119.600 0.031 0.000 2.066 79 M HA -0.185 4.296 4.480 0.001 0.000 0.259 79 M C 2.237 178.688 176.300 0.252 0.000 1.074 79 M CA 1.967 57.341 55.300 0.125 0.000 1.114 79 M CB -0.305 32.408 32.600 0.188 0.000 1.306 79 M HN 0.307 nan 8.290 nan 0.000 0.411 80 L N 0.714 122.061 121.223 0.206 0.000 2.054 80 L HA -0.317 4.023 4.340 0.001 0.000 0.220 80 L C 2.520 179.487 176.870 0.161 0.000 1.081 80 L CA 2.110 57.067 54.840 0.195 0.000 0.780 80 L CB -0.952 41.156 42.059 0.083 0.000 0.893 80 L HN 0.371 nan 8.230 nan 0.000 0.438 81 R N -2.381 118.173 120.500 0.091 0.000 2.120 81 R HA -0.230 4.110 4.340 0.001 0.000 0.234 81 R C 2.354 178.687 176.300 0.054 0.000 1.123 81 R CA 1.479 57.612 56.100 0.056 0.000 0.975 81 R CB -0.381 29.934 30.300 0.026 0.000 0.866 81 R HN 0.491 nan 8.270 nan 0.000 0.446 82 Y N -0.085 120.165 120.300 -0.083 0.000 2.200 82 Y HA -0.167 4.383 4.550 0.001 0.000 0.290 82 Y C 1.427 177.188 175.900 -0.231 0.000 1.137 82 Y CA 1.730 59.702 58.100 -0.213 0.000 1.163 82 Y CB -0.298 37.928 38.460 -0.389 0.000 0.988 82 Y HN -0.029 nan 8.280 nan 0.000 0.518 83 F N -0.285 119.677 119.950 0.020 0.000 2.149 83 F HA -0.120 4.407 4.527 0.000 0.000 0.294 83 F C 2.274 178.024 175.800 -0.084 0.000 1.095 83 F CA 1.237 59.203 58.000 -0.056 0.000 1.276 83 F CB -0.509 38.531 39.000 0.065 0.000 1.023 83 F HN -0.075 nan 8.300 nan 0.000 0.480 84 I N 0.301 120.957 120.570 0.143 0.000 2.315 84 I HA -0.355 3.816 4.170 0.001 0.000 0.251 84 I C 1.586 177.702 176.117 -0.002 0.000 1.125 84 I CA 1.658 62.999 61.300 0.068 0.000 1.392 84 I CB -0.615 37.424 38.000 0.065 0.000 1.065 84 I HN 0.243 nan 8.210 nan 0.000 0.424 85 N N 0.399 119.058 118.700 -0.069 0.000 2.251 85 N HA -0.081 4.659 4.740 0.001 0.000 0.181 85 N C 1.831 177.240 175.510 -0.169 0.000 1.019 85 N CA 0.643 53.624 53.050 -0.115 0.000 0.862 85 N CB 0.060 38.466 38.487 -0.135 0.000 0.992 85 N HN 0.164 nan 8.380 nan 0.000 0.429 86 K N 0.419 120.645 120.400 -0.290 0.000 2.097 86 K HA -0.014 4.306 4.320 0.001 0.000 0.206 86 K C 1.883 178.417 176.600 -0.110 0.000 1.049 86 K CA 1.040 57.172 56.287 -0.257 0.000 0.933 86 K CB -0.071 32.194 32.500 -0.391 0.000 0.717 86 K HN 0.158 nan 8.250 nan 0.000 0.442 87 A N 1.499 124.286 122.820 -0.056 0.000 1.898 87 A HA -0.190 4.131 4.320 0.001 0.000 0.216 87 A C 1.995 179.563 177.584 -0.026 0.000 1.181 87 A CA 1.475 53.501 52.037 -0.019 0.000 0.620 87 A CB -0.347 18.666 19.000 0.022 0.000 0.819 87 A HN 0.200 nan 8.150 nan 0.000 0.442 88 K N -1.711 118.676 120.400 -0.022 0.000 2.044 88 K HA -0.107 4.214 4.320 0.001 0.000 0.210 88 K C 1.394 177.986 176.600 -0.013 0.000 1.049 88 K CA 1.799 58.083 56.287 -0.006 0.000 0.927 88 K CB -0.237 32.264 32.500 0.001 0.000 0.713 88 K HN 0.645 nan 8.250 nan 0.000 0.443 89 G N -2.976 105.805 108.800 -0.032 0.000 3.134 89 G HA2 -0.102 3.859 3.960 0.001 0.000 0.195 89 G HA3 -0.102 3.859 3.960 0.001 0.000 0.195 89 G C 0.792 175.671 174.900 -0.036 0.000 1.054 89 G CA 0.202 45.283 45.100 -0.031 0.000 0.828 89 G HN 0.678 nan 8.290 nan 0.000 0.462 90 G N 0.040 108.820 108.800 -0.033 0.000 2.850 90 G HA2 -0.224 3.736 3.960 0.001 0.000 0.207 90 G HA3 -0.224 3.736 3.960 0.001 0.000 0.207 90 G C 1.427 176.314 174.900 -0.022 0.000 1.302 90 G CA 0.928 46.008 45.100 -0.033 0.000 0.832 90 G HN 0.778 nan 8.290 nan 0.000 0.543 91 M N 1.581 121.172 119.600 -0.014 0.000 2.630 91 M HA 0.186 4.666 4.480 0.001 0.000 0.254 91 M C 0.880 177.183 176.300 0.006 0.000 1.092 91 M CA 0.312 55.608 55.300 -0.006 0.000 1.087 91 M CB -1.152 31.447 32.600 -0.003 0.000 1.453 91 M HN 0.433 nan 8.290 nan 0.000 0.509 92 N N 1.577 120.285 118.700 0.013 0.000 2.518 92 N HA 0.306 5.046 4.740 0.001 0.000 0.283 92 N C -0.525 174.997 175.510 0.020 0.000 1.119 92 N CA -0.332 52.745 53.050 0.045 0.000 0.983 92 N CB 0.743 39.268 38.487 0.063 0.000 1.139 92 N HN 0.001 nan 8.380 nan 0.000 0.465 93 L N 0.799 122.028 121.223 0.010 0.000 3.186 93 L HA 0.583 4.923 4.340 0.001 0.000 0.317 93 L C -1.379 175.356 176.870 -0.226 0.000 1.296 93 L CA -0.673 54.104 54.840 -0.104 0.000 0.870 93 L CB -1.199 40.759 42.059 -0.167 0.000 1.302 93 L HN 0.281 nan 8.230 nan 0.000 0.590 94 F N 0.081 120.029 119.950 -0.004 0.000 2.577 94 F HA 0.631 5.159 4.527 0.001 0.000 0.318 94 F C 0.588 176.390 175.800 0.003 0.000 1.065 94 F CA -0.698 57.303 58.000 0.001 0.000 0.929 94 F CB 2.087 41.089 39.000 0.004 0.000 1.237 94 F HN -0.089 nan 8.300 nan 0.000 0.468 95 K N 3.729 124.265 120.400 0.226 0.000 2.339 95 K HA 0.287 4.607 4.320 0.001 0.000 0.286 95 K C -2.557 174.118 176.600 0.126 0.000 1.050 95 K CA -1.499 54.866 56.287 0.130 0.000 0.956 95 K CB 0.374 32.930 32.500 0.093 0.000 0.990 95 K HN 0.145 nan 8.250 nan 0.000 0.475 96 P HA 0.222 nan 4.420 nan 0.000 0.278 96 P C -0.874 176.472 177.300 0.077 0.000 1.258 96 P CA -0.745 62.402 63.100 0.078 0.000 0.811 96 P CB 0.730 32.471 31.700 0.069 0.000 1.063 97 R N 0.375 120.927 120.500 0.087 0.000 2.308 97 R HA 0.500 4.840 4.340 0.001 0.000 0.305 97 R C -0.860 175.526 176.300 0.143 0.000 1.053 97 R CA -0.439 55.737 56.100 0.127 0.000 0.957 97 R CB 0.482 30.882 30.300 0.166 0.000 1.022 97 R HN 0.247 nan 8.270 nan 0.000 0.461 98 V N 4.360 124.368 119.914 0.157 0.000 2.531 98 V HA 0.342 4.463 4.120 0.001 0.000 0.301 98 V C -0.679 175.537 176.094 0.203 0.000 1.034 98 V CA -0.830 61.555 62.300 0.142 0.000 0.865 98 V CB 2.031 33.907 31.823 0.089 0.000 0.995 98 V HN 0.427 nan 8.190 nan 0.000 0.424 99 V N 6.495 126.521 119.914 0.186 0.000 2.357 99 V HA 0.525 4.645 4.120 0.001 0.000 0.284 99 V C -0.182 175.976 176.094 0.106 0.000 1.018 99 V CA -0.336 62.076 62.300 0.185 0.000 0.841 99 V CB 1.642 33.545 31.823 0.134 0.000 0.991 99 V HN 0.685 nan 8.190 nan 0.000 0.437 100 I N 3.489 124.113 120.570 0.090 0.000 2.412 100 I HA 0.553 4.723 4.170 0.001 0.000 0.296 100 I C 0.974 177.110 176.117 0.032 0.000 0.987 100 I CA -0.374 60.957 61.300 0.051 0.000 1.180 100 I CB 1.794 39.821 38.000 0.044 0.000 1.340 100 I HN 0.693 nan 8.210 nan 0.000 0.455 101 G N 5.409 114.216 108.800 0.011 0.000 2.355 101 G HA2 0.496 4.456 3.960 0.001 0.000 0.276 101 G HA3 0.496 4.456 3.960 0.001 0.000 0.276 101 G C -0.313 174.580 174.900 -0.011 0.000 1.198 101 G CA -0.278 44.819 45.100 -0.005 0.000 0.876 101 G HN 0.501 nan 8.290 nan 0.000 0.478 102 V N 0.976 120.877 119.914 -0.021 0.000 2.881 102 V HA 0.795 4.915 4.120 0.001 0.000 0.316 102 V C -2.481 173.580 176.094 -0.055 0.000 1.070 102 V CA -2.839 59.443 62.300 -0.030 0.000 0.976 102 V CB 2.144 33.948 31.823 -0.031 0.000 1.038 102 V HN 0.501 nan 8.190 nan 0.000 0.446 103 P HA 0.448 nan 4.420 nan 0.000 0.274 103 P C 0.915 178.119 177.300 -0.161 0.000 1.246 103 P CA -0.338 62.713 63.100 -0.082 0.000 0.795 103 P CB 0.851 32.523 31.700 -0.045 0.000 1.006 104 I N 0.009 120.419 120.570 -0.266 0.000 2.162 104 I HA -0.057 4.113 4.170 0.001 0.000 0.238 104 I C 1.555 177.314 176.117 -0.597 0.000 1.076 104 I CA 1.331 62.300 61.300 -0.551 0.000 1.353 104 I CB -0.969 36.488 38.000 -0.906 0.000 1.063 104 I HN 0.415 nan 8.210 nan 0.000 0.408 105 G N 2.868 111.390 108.800 -0.464 0.000 2.716 105 G HA2 0.395 4.355 3.960 0.001 0.000 0.296 105 G HA3 0.395 4.355 3.960 0.001 0.000 0.296 105 G C -0.458 174.432 174.900 -0.016 0.000 0.811 105 G CA 0.039 45.077 45.100 -0.104 0.000 1.758 105 G HN 0.212 nan 8.290 nan 0.000 0.512 106 I N 2.367 122.912 120.570 -0.042 0.000 2.571 106 I HA 0.294 4.464 4.170 0.001 0.000 0.289 106 I C 0.438 176.554 176.117 -0.002 0.000 1.115 106 I CA -0.767 60.522 61.300 -0.018 0.000 1.045 106 I CB 2.304 40.279 38.000 -0.041 0.000 1.238 106 I HN 0.431 nan 8.210 nan 0.000 0.424 107 T N 1.976 116.538 114.554 0.013 0.000 2.918 107 T HA 0.036 4.386 4.350 0.001 0.000 0.302 107 T C 0.892 175.595 174.700 0.005 0.000 1.045 107 T CA -0.096 62.013 62.100 0.015 0.000 1.114 107 T CB 1.150 70.028 68.868 0.018 0.000 0.965 107 T HN 0.672 nan 8.240 nan 0.000 0.540 108 D N 1.609 122.012 120.400 0.005 0.000 2.149 108 D HA -0.120 4.521 4.640 0.001 0.000 0.198 108 D C 2.023 178.320 176.300 -0.005 0.000 0.990 108 D CA 0.926 54.926 54.000 -0.000 0.000 0.839 108 D CB -0.388 40.413 40.800 0.001 0.000 0.948 108 D HN 0.418 nan 8.370 nan 0.000 0.460 109 V N 0.720 120.631 119.914 -0.005 0.000 2.252 109 V HA -0.265 3.856 4.120 0.001 0.000 0.249 109 V C 2.355 178.442 176.094 -0.012 0.000 1.056 109 V CA 2.161 64.453 62.300 -0.013 0.000 1.022 109 V CB -0.511 31.305 31.823 -0.012 0.000 0.641 109 V HN 0.275 nan 8.190 nan 0.000 0.445 110 E N -0.739 119.460 120.200 -0.001 0.000 2.204 110 E HA -0.215 4.135 4.350 0.001 0.000 0.195 110 E C 2.452 179.057 176.600 0.008 0.000 0.990 110 E CA 0.959 57.363 56.400 0.007 0.000 0.821 110 E CB -0.130 29.578 29.700 0.012 0.000 0.750 110 E HN 0.491 nan 8.360 nan 0.000 0.477 111 R N 0.223 120.724 120.500 0.001 0.000 2.062 111 R HA -0.062 4.278 4.340 0.001 0.000 0.229 111 R C 2.367 178.668 176.300 0.002 0.000 1.128 111 R CA 1.014 57.115 56.100 0.002 0.000 0.960 111 R CB -0.068 30.229 30.300 -0.004 0.000 0.855 111 R HN -0.099 nan 8.270 nan 0.000 0.432 112 R N 1.025 121.521 120.500 -0.008 0.000 2.119 112 R HA -0.158 4.183 4.340 0.001 0.000 0.246 112 R C 1.848 178.141 176.300 -0.011 0.000 1.146 112 R CA 1.972 58.063 56.100 -0.015 0.000 0.962 112 R CB -0.795 29.488 30.300 -0.028 0.000 0.863 112 R HN 0.292 nan 8.270 nan 0.000 0.442 113 A N 0.932 123.743 122.820 -0.014 0.000 1.837 113 A HA -0.191 4.129 4.320 0.001 0.000 0.216 113 A C 2.198 179.840 177.584 0.097 0.000 1.210 113 A CA 1.962 53.997 52.037 -0.002 0.000 0.632 113 A CB -0.973 18.029 19.000 0.004 0.000 0.843 113 A HN 0.339 nan 8.150 nan 0.000 0.448 114 I N -0.294 120.334 120.570 0.097 0.000 2.229 114 I HA -0.322 3.849 4.170 0.001 0.000 0.250 114 I C 2.528 178.690 176.117 0.075 0.000 1.096 114 I CA 1.611 62.970 61.300 0.099 0.000 1.358 114 I CB -1.019 37.017 38.000 0.061 0.000 1.047 114 I HN 0.333 nan 8.210 nan 0.000 0.422 115 L N 0.390 121.639 121.223 0.043 0.000 2.012 115 L HA -0.253 4.087 4.340 0.001 0.000 0.210 115 L C 2.315 179.205 176.870 0.033 0.000 1.073 115 L CA 1.568 56.417 54.840 0.015 0.000 0.748 115 L CB -0.549 41.502 42.059 -0.013 0.000 0.891 115 L HN 0.231 nan 8.230 nan 0.000 0.431 116 D N -0.102 120.336 120.400 0.063 0.000 2.078 116 D HA -0.167 4.473 4.640 0.001 0.000 0.193 116 D C 2.207 178.608 176.300 0.168 0.000 0.990 116 D CA 1.486 55.544 54.000 0.096 0.000 0.827 116 D CB -0.428 40.418 40.800 0.077 0.000 0.975 116 D HN 0.288 nan 8.370 nan 0.000 0.451 117 A N 1.042 124.039 122.820 0.295 0.000 1.882 117 A HA -0.247 4.073 4.320 0.001 0.000 0.220 117 A C 2.429 180.053 177.584 0.067 0.000 1.253 117 A CA 3.187 55.326 52.037 0.170 0.000 0.664 117 A CB -1.534 17.547 19.000 0.135 0.000 0.838 117 A HN 0.338 nan 8.150 nan 0.000 0.460 118 G N -0.766 108.073 108.800 0.065 0.000 2.529 118 G HA2 -0.256 3.704 3.960 0.001 0.000 0.219 118 G HA3 -0.256 3.704 3.960 0.001 0.000 0.219 118 G C 1.582 176.502 174.900 0.033 0.000 1.177 118 G CA 1.171 46.297 45.100 0.043 0.000 0.773 118 G HN 0.470 nan 8.290 nan 0.000 0.573 119 L N -0.206 121.035 121.223 0.030 0.000 2.079 119 L HA -0.078 4.262 4.340 0.001 0.000 0.210 119 L C 2.839 179.726 176.870 0.029 0.000 1.081 119 L CA 1.506 56.357 54.840 0.018 0.000 0.752 119 L CB -0.269 41.796 42.059 0.009 0.000 0.896 119 L HN 0.369 nan 8.230 nan 0.000 0.433 120 E N -0.273 119.953 120.200 0.044 0.000 2.051 120 E HA -0.159 4.192 4.350 0.001 0.000 0.189 120 E C 2.194 178.806 176.600 0.020 0.000 0.979 120 E CA 0.875 57.298 56.400 0.037 0.000 0.803 120 E CB -0.031 29.703 29.700 0.057 0.000 0.761 120 E HN 0.436 nan 8.360 nan 0.000 0.451 121 A N -0.177 122.652 122.820 0.016 0.000 2.139 121 A HA -0.098 4.222 4.320 0.001 0.000 0.221 121 A C 1.788 179.386 177.584 0.022 0.000 1.159 121 A CA 1.766 53.812 52.037 0.016 0.000 0.662 121 A CB -0.500 18.517 19.000 0.028 0.000 0.796 121 A HN 0.501 nan 8.150 nan 0.000 0.463 122 G N -3.545 105.269 108.800 0.024 0.000 2.370 122 G HA2 0.295 4.256 3.960 0.001 0.000 0.174 122 G HA3 0.295 4.256 3.960 0.001 0.000 0.174 122 G C 0.273 175.193 174.900 0.033 0.000 1.002 122 G CA 0.054 45.169 45.100 0.025 0.000 0.730 122 G HN 1.412 nan 8.290 nan 0.000 0.497 123 A N 1.048 123.887 122.820 0.032 0.000 2.440 123 A HA 0.654 4.974 4.320 0.001 0.000 0.251 123 A C 1.703 179.301 177.584 0.023 0.000 1.089 123 A CA 1.167 53.223 52.037 0.032 0.000 0.779 123 A CB 0.551 19.564 19.000 0.022 0.000 1.022 123 A HN 1.518 nan 8.150 nan 0.000 0.492 124 S N 1.298 117.018 115.700 0.034 0.000 2.461 124 S HA 0.127 4.598 4.470 0.001 0.000 0.228 124 S C 0.577 175.172 174.600 -0.008 0.000 1.005 124 S CA 0.945 59.161 58.200 0.028 0.000 0.942 124 S CB -0.083 63.151 63.200 0.056 0.000 0.776 124 S HN 0.691 nan 8.310 nan 0.000 0.514 125 K N -0.232 120.149 120.400 -0.031 0.000 2.572 125 K HA 0.612 4.932 4.320 0.001 0.000 0.263 125 K C -2.217 174.268 176.600 -0.192 0.000 0.932 125 K CA -0.484 55.722 56.287 -0.135 0.000 0.838 125 K CB 2.610 35.059 32.500 -0.084 0.000 1.366 125 K HN 0.029 nan 8.250 nan 0.000 0.425 126 V N 4.088 123.768 119.914 -0.392 0.000 2.709 126 V HA 0.617 4.737 4.120 0.001 0.000 0.308 126 V C -1.342 174.409 176.094 -0.571 0.000 1.062 126 V CA -0.692 61.429 62.300 -0.297 0.000 0.901 126 V CB 1.530 33.282 31.823 -0.118 0.000 1.003 126 V HN 0.581 nan 8.190 nan 0.000 0.425 127 F N 3.789 123.747 119.950 0.014 0.000 2.561 127 F HA 0.708 5.235 4.527 0.001 0.000 0.321 127 F C -0.024 175.777 175.800 0.001 0.000 1.065 127 F CA -0.799 57.205 58.000 0.005 0.000 0.934 127 F CB 1.599 40.599 39.000 0.001 0.000 1.215 127 F HN 0.123 nan 8.300 nan 0.000 0.471 128 L N 2.713 124.044 121.223 0.179 0.000 2.332 128 L HA 0.730 5.070 4.340 0.001 0.000 0.269 128 L C -0.928 175.985 176.870 0.072 0.000 1.016 128 L CA -1.090 53.805 54.840 0.091 0.000 0.809 128 L CB 2.485 44.570 42.059 0.044 0.000 1.280 128 L HN 0.641 nan 8.230 nan 0.000 0.447 129 I N 0.930 121.514 120.570 0.025 0.000 2.735 129 I HA 0.119 4.289 4.170 0.001 0.000 0.287 129 I C -0.790 175.308 176.117 -0.031 0.000 1.452 129 I CA -0.501 60.795 61.300 -0.006 0.000 1.061 129 I CB 1.801 39.796 38.000 -0.008 0.000 1.383 129 I HN 0.650 nan 8.210 nan 0.000 0.425 130 E N 6.670 126.834 120.200 -0.060 0.000 2.452 130 E HA -0.029 4.321 4.350 0.001 0.000 0.261 130 E C 0.345 176.908 176.600 -0.062 0.000 0.987 130 E CA -0.060 56.288 56.400 -0.086 0.000 0.926 130 E CB 0.742 30.356 29.700 -0.143 0.000 0.934 130 E HN 0.664 nan 8.360 nan 0.000 0.452 131 E N 2.260 122.428 120.200 -0.054 0.000 2.136 131 E HA -0.210 4.141 4.350 0.001 0.000 0.202 131 E C -0.807 175.782 176.600 -0.019 0.000 1.019 131 E CA 1.689 58.069 56.400 -0.032 0.000 0.819 131 E CB -0.706 28.978 29.700 -0.027 0.000 0.739 131 E HN 0.465 nan 8.360 nan 0.000 0.458 132 P HA -0.127 nan 4.420 nan 0.000 0.216 132 P C 1.430 178.733 177.300 0.005 0.000 1.153 132 P CA 1.006 64.112 63.100 0.010 0.000 0.844 132 P CB -0.008 31.699 31.700 0.012 0.000 0.787 133 M N 0.017 119.603 119.600 -0.023 0.000 2.117 133 M HA -0.087 4.393 4.480 0.001 0.000 0.262 133 M C 1.958 178.236 176.300 -0.036 0.000 1.065 133 M CA 1.882 57.163 55.300 -0.031 0.000 1.114 133 M CB -1.177 31.397 32.600 -0.044 0.000 1.361 133 M HN -0.146 nan 8.290 nan 0.000 0.408 134 A N -0.042 122.756 122.820 -0.036 0.000 1.883 134 A HA -0.082 4.238 4.320 0.001 0.000 0.217 134 A C 2.391 179.954 177.584 -0.034 0.000 1.186 134 A CA 2.387 54.397 52.037 -0.045 0.000 0.624 134 A CB -1.587 17.388 19.000 -0.041 0.000 0.822 134 A HN 0.659 nan 8.150 nan 0.000 0.444 135 A N -0.141 122.683 122.820 0.006 0.000 1.865 135 A HA 0.062 4.382 4.320 0.001 0.000 0.217 135 A C 2.574 180.192 177.584 0.056 0.000 1.191 135 A CA 2.670 54.747 52.037 0.066 0.000 0.623 135 A CB -1.282 17.797 19.000 0.131 0.000 0.826 135 A HN 1.258 nan 8.150 nan 0.000 0.444 136 A N -0.192 122.639 122.820 0.018 0.000 1.917 136 A HA -0.159 4.161 4.320 0.001 0.000 0.219 136 A C 2.114 179.628 177.584 -0.117 0.000 1.182 136 A CA 1.757 53.744 52.037 -0.083 0.000 0.633 136 A CB -0.697 18.262 19.000 -0.068 0.000 0.819 136 A HN 0.552 nan 8.150 nan 0.000 0.448 137 I N -0.668 119.849 120.570 -0.087 0.000 2.394 137 I HA -0.138 4.032 4.170 0.001 0.000 0.251 137 I C 2.583 178.632 176.117 -0.113 0.000 1.136 137 I CA 0.927 62.166 61.300 -0.101 0.000 1.425 137 I CB -0.520 37.422 38.000 -0.096 0.000 1.079 137 I HN 0.401 nan 8.210 nan 0.000 0.425 138 G N 0.288 109.026 108.800 -0.103 0.000 2.394 138 G HA2 -0.091 3.870 3.960 0.001 0.000 0.215 138 G HA3 -0.091 3.870 3.960 0.001 0.000 0.215 138 G C 0.801 175.655 174.900 -0.077 0.000 1.165 138 G CA 0.053 45.085 45.100 -0.113 0.000 0.784 138 G HN 0.372 nan 8.290 nan 0.000 0.535 139 S N 0.937 116.601 115.700 -0.060 0.000 2.580 139 S HA 0.219 4.689 4.470 0.001 0.000 0.274 139 S C 0.082 174.585 174.600 -0.162 0.000 1.329 139 S CA -0.485 57.648 58.200 -0.111 0.000 1.036 139 S CB 1.205 64.239 63.200 -0.276 0.000 0.919 139 S HN 0.210 nan 8.310 nan 0.000 0.515 140 N N 1.398 120.013 118.700 -0.143 0.000 2.597 140 N HA 0.244 4.985 4.740 0.001 0.000 0.269 140 N C -0.415 175.009 175.510 -0.143 0.000 1.204 140 N CA -0.057 52.918 53.050 -0.125 0.000 0.947 140 N CB -0.541 37.895 38.487 -0.086 0.000 1.258 140 N HN 0.501 nan 8.380 nan 0.000 0.508 141 L N 0.054 121.155 121.223 -0.202 0.000 2.499 141 L HA 0.078 4.418 4.340 0.001 0.000 0.281 141 L C 0.396 177.190 176.870 -0.126 0.000 1.234 141 L CA 0.015 54.743 54.840 -0.186 0.000 0.839 141 L CB 0.251 42.162 42.059 -0.247 0.000 1.104 141 L HN 0.196 nan 8.230 nan 0.000 0.500 142 N N 1.863 120.504 118.700 -0.098 0.000 2.462 142 N HA 0.150 4.891 4.740 0.001 0.000 0.242 142 N C 0.744 176.215 175.510 -0.066 0.000 1.010 142 N CA -0.292 52.714 53.050 -0.074 0.000 0.939 142 N CB 1.797 40.248 38.487 -0.059 0.000 1.127 142 N HN 0.545 nan 8.380 nan 0.000 0.509 143 V N -0.711 119.164 119.914 -0.065 0.000 3.235 143 V HA 0.003 4.124 4.120 0.001 0.000 0.259 143 V C 1.585 177.655 176.094 -0.041 0.000 1.133 143 V CA 0.752 63.020 62.300 -0.053 0.000 1.128 143 V CB -0.348 31.442 31.823 -0.055 0.000 0.757 143 V HN 0.419 nan 8.190 nan 0.000 0.469 144 E N 2.031 122.206 120.200 -0.042 0.000 2.150 144 E HA -0.103 4.247 4.350 0.001 0.000 0.193 144 E C 1.216 177.799 176.600 -0.029 0.000 0.985 144 E CA 0.737 57.117 56.400 -0.034 0.000 0.814 144 E CB -0.155 29.524 29.700 -0.035 0.000 0.752 144 E HN 0.870 nan 8.360 nan 0.000 0.466 145 E N 2.478 122.659 120.200 -0.032 0.000 2.418 145 E HA -0.042 4.308 4.350 0.001 0.000 0.261 145 E C -2.044 174.543 176.600 -0.022 0.000 1.070 145 E CA -1.231 55.153 56.400 -0.027 0.000 0.931 145 E CB 0.842 30.523 29.700 -0.032 0.000 0.954 145 E HN -0.154 nan 8.360 nan 0.000 0.439 146 P HA 0.139 nan 4.420 nan 0.000 0.257 146 P C -0.723 176.570 177.300 -0.011 0.000 1.325 146 P CA 0.001 63.094 63.100 -0.012 0.000 0.850 146 P CB 0.387 32.081 31.700 -0.009 0.000 1.324 147 S N 0.069 115.760 115.700 -0.015 0.000 2.562 147 S HA 0.495 4.965 4.470 0.001 0.000 0.275 147 S C 1.015 175.608 174.600 -0.011 0.000 1.281 147 S CA -0.560 57.632 58.200 -0.013 0.000 1.045 147 S CB 0.756 63.945 63.200 -0.018 0.000 0.962 147 S HN 0.146 nan 8.310 nan 0.000 0.503 148 G N 2.086 110.883 108.800 -0.005 0.000 2.432 148 G HA2 0.311 4.271 3.960 0.001 0.000 0.239 148 G HA3 0.311 4.271 3.960 0.001 0.000 0.239 148 G C -0.456 174.442 174.900 -0.003 0.000 1.291 148 G CA -0.323 44.778 45.100 0.001 0.000 0.863 148 G HN 0.648 nan 8.290 nan 0.000 0.560 149 N N -0.188 118.513 118.700 0.002 0.000 2.225 149 N HA 0.552 5.292 4.740 0.001 0.000 0.298 149 N C -0.681 174.848 175.510 0.031 0.000 1.076 149 N CA -0.609 52.442 53.050 0.002 0.000 0.792 149 N CB 2.331 40.803 38.487 -0.024 0.000 1.498 149 N HN 0.551 nan 8.380 nan 0.000 0.474 150 M N 2.202 121.835 119.600 0.054 0.000 2.142 150 M HA 0.519 5.000 4.480 0.001 0.000 0.299 150 M C -1.880 174.499 176.300 0.132 0.000 0.960 150 M CA -0.675 54.673 55.300 0.079 0.000 0.920 150 M CB 0.951 33.590 32.600 0.065 0.000 1.541 150 M HN 0.194 nan 8.290 nan 0.000 0.429 151 V N 5.136 125.134 119.914 0.139 0.000 2.483 151 V HA 0.539 4.659 4.120 0.001 0.000 0.295 151 V C -0.583 175.572 176.094 0.101 0.000 1.035 151 V CA -0.679 61.734 62.300 0.189 0.000 0.896 151 V CB 1.902 33.851 31.823 0.210 0.000 0.986 151 V HN 0.658 nan 8.190 nan 0.000 0.447 152 V N 3.504 123.447 119.914 0.048 0.000 2.325 152 V HA 0.297 4.418 4.120 0.001 0.000 0.280 152 V C -0.562 175.514 176.094 -0.031 0.000 1.016 152 V CA -0.458 61.848 62.300 0.010 0.000 0.818 152 V CB 1.508 33.327 31.823 -0.006 0.000 1.019 152 V HN 0.988 nan 8.190 nan 0.000 0.434 153 D N 5.258 125.655 120.400 -0.006 0.000 2.428 153 D HA 0.406 5.047 4.640 0.001 0.000 0.221 153 D C -0.224 176.068 176.300 -0.014 0.000 1.123 153 D CA -0.172 53.816 54.000 -0.020 0.000 0.869 153 D CB 0.614 41.413 40.800 -0.002 0.000 1.032 153 D HN 0.466 nan 8.370 nan 0.000 0.506 154 I N 3.698 124.250 120.570 -0.030 0.000 2.304 154 I HA 0.411 4.582 4.170 0.001 0.000 0.291 154 I C 1.299 177.405 176.117 -0.019 0.000 1.018 154 I CA -0.647 60.642 61.300 -0.018 0.000 1.260 154 I CB 1.529 39.515 38.000 -0.024 0.000 1.390 154 I HN 0.410 nan 8.210 nan 0.000 0.475 155 G N 3.674 112.468 108.800 -0.009 0.000 3.022 155 G HA2 0.404 4.365 3.960 0.001 0.000 0.157 155 G HA3 0.404 4.365 3.960 0.001 0.000 0.157 155 G C 0.909 175.806 174.900 -0.004 0.000 1.468 155 G CA 0.230 45.325 45.100 -0.009 0.000 1.058 155 G HN 0.649 nan 8.290 nan 0.000 0.581 156 G N -1.217 107.582 108.800 -0.001 0.000 2.743 156 G HA2 0.350 4.310 3.960 0.001 0.000 0.206 156 G HA3 0.350 4.310 3.960 0.001 0.000 0.206 156 G C 1.283 176.188 174.900 0.008 0.000 1.115 156 G CA 1.343 46.446 45.100 0.004 0.000 0.782 156 G HN 0.874 nan 8.290 nan 0.000 0.524 157 G N 0.016 108.822 108.800 0.009 0.000 2.559 157 G HA2 0.348 4.308 3.960 0.001 0.000 0.209 157 G HA3 0.348 4.308 3.960 0.001 0.000 0.209 157 G C 0.546 175.457 174.900 0.018 0.000 1.151 157 G CA 1.246 46.354 45.100 0.013 0.000 0.824 157 G HN 0.605 nan 8.290 nan 0.000 0.543 158 T N -1.563 113.001 114.554 0.017 0.000 2.952 158 T HA 0.545 4.895 4.350 0.001 0.000 0.305 158 T C -1.117 173.597 174.700 0.024 0.000 1.064 158 T CA -0.520 61.595 62.100 0.025 0.000 1.008 158 T CB 2.077 70.964 68.868 0.032 0.000 1.078 158 T HN -0.102 nan 8.240 nan 0.000 0.459 159 T N 2.941 117.513 114.554 0.030 0.000 2.771 159 T HA 0.439 4.789 4.350 0.001 0.000 0.291 159 T C -0.299 174.433 174.700 0.053 0.000 0.954 159 T CA -0.436 61.682 62.100 0.030 0.000 1.045 159 T CB 0.685 69.568 68.868 0.024 0.000 0.917 159 T HN 0.640 nan 8.240 nan 0.000 0.484 160 E N 1.740 121.972 120.200 0.052 0.000 2.199 160 E HA 0.557 4.907 4.350 0.001 0.000 0.269 160 E C -1.137 175.515 176.600 0.087 0.000 0.899 160 E CA -0.740 55.710 56.400 0.084 0.000 0.772 160 E CB 1.915 31.648 29.700 0.055 0.000 1.155 160 E HN 0.263 nan 8.360 nan 0.000 0.408 161 V N 2.268 122.260 119.914 0.129 0.000 2.376 161 V HA 0.670 4.790 4.120 0.001 0.000 0.287 161 V C -0.613 175.577 176.094 0.160 0.000 1.015 161 V CA -0.620 61.748 62.300 0.113 0.000 0.834 161 V CB 1.302 33.177 31.823 0.087 0.000 1.001 161 V HN 0.745 nan 8.190 nan 0.000 0.428 162 A N 4.646 127.544 122.820 0.131 0.000 2.356 162 A HA 0.859 5.179 4.320 0.001 0.000 0.310 162 A C -0.827 176.823 177.584 0.110 0.000 1.075 162 A CA -0.582 51.544 52.037 0.147 0.000 0.746 162 A CB 1.819 20.881 19.000 0.104 0.000 1.221 162 A HN 0.604 nan 8.150 nan 0.000 0.443 163 V N 3.641 123.624 119.914 0.114 0.000 2.364 163 V HA 0.318 4.438 4.120 0.001 0.000 0.272 163 V C -0.415 175.718 176.094 0.065 0.000 1.036 163 V CA -0.001 62.346 62.300 0.078 0.000 0.880 163 V CB 0.550 32.413 31.823 0.067 0.000 0.991 163 V HN 0.681 nan 8.190 nan 0.000 0.460 164 I N 4.067 124.661 120.570 0.040 0.000 2.460 164 I HA 0.616 4.786 4.170 0.001 0.000 0.298 164 I C 0.265 176.388 176.117 0.011 0.000 0.989 164 I CA 0.363 61.676 61.300 0.021 0.000 1.173 164 I CB 1.985 39.987 38.000 0.003 0.000 1.338 164 I HN 0.593 nan 8.210 nan 0.000 0.456 165 S N 5.933 121.638 115.700 0.008 0.000 2.481 165 S HA 0.522 4.993 4.470 0.001 0.000 0.262 165 S C -0.498 174.102 174.600 -0.000 0.000 1.061 165 S CA -0.404 57.798 58.200 0.003 0.000 1.039 165 S CB 0.097 63.303 63.200 0.010 0.000 1.170 165 S HN 0.616 nan 8.310 nan 0.000 0.437 166 L N 3.308 124.526 121.223 -0.009 0.000 3.471 166 L HA -0.162 4.178 4.340 0.001 0.000 0.454 166 L C 0.929 177.791 176.870 -0.013 0.000 1.286 166 L CA 0.390 55.223 54.840 -0.010 0.000 0.872 166 L CB -1.519 40.537 42.059 -0.005 0.000 1.842 166 L HN 1.210 nan 8.230 nan 0.000 0.801 167 G N -0.386 108.402 108.800 -0.020 0.000 2.249 167 G HA2 -0.222 3.738 3.960 0.001 0.000 0.273 167 G HA3 -0.222 3.738 3.960 0.001 0.000 0.273 167 G C 0.093 174.981 174.900 -0.019 0.000 1.036 167 G CA 0.973 46.058 45.100 -0.025 0.000 0.824 167 G HN 0.888 nan 8.290 nan 0.000 0.504 168 S N -1.663 114.031 115.700 -0.010 0.000 2.596 168 S HA 0.769 5.239 4.470 0.001 0.000 0.270 168 S C -0.543 174.063 174.600 0.009 0.000 1.155 168 S CA -0.807 57.392 58.200 -0.002 0.000 0.827 168 S CB 1.354 64.558 63.200 0.007 0.000 1.130 168 S HN 0.640 nan 8.310 nan 0.000 0.467 169 I N 2.980 123.560 120.570 0.018 0.000 2.377 169 I HA 0.372 4.542 4.170 0.001 0.000 0.293 169 I C 0.456 176.634 176.117 0.100 0.000 0.987 169 I CA -0.468 60.862 61.300 0.051 0.000 1.185 169 I CB 1.959 39.970 38.000 0.018 0.000 1.341 169 I HN 0.544 nan 8.210 nan 0.000 0.455 170 V N 2.732 122.717 119.914 0.117 0.000 3.048 170 V HA 0.149 4.269 4.120 0.001 0.000 0.241 170 V C 0.438 176.619 176.094 0.144 0.000 1.129 170 V CA 0.668 63.035 62.300 0.110 0.000 1.128 170 V CB 0.402 32.264 31.823 0.065 0.000 0.849 170 V HN 0.820 nan 8.190 nan 0.000 0.475 171 T N 1.202 115.857 114.554 0.168 0.000 2.900 171 T HA 0.649 5.000 4.350 0.001 0.000 0.303 171 T C -1.468 173.391 174.700 0.264 0.000 1.142 171 T CA -0.508 61.672 62.100 0.133 0.000 1.007 171 T CB 2.704 71.595 68.868 0.039 0.000 1.156 171 T HN 0.542 nan 8.240 nan 0.000 0.490 172 W N -0.171 121.133 121.300 0.007 0.000 3.059 172 W HA 0.745 5.406 4.660 0.001 0.000 0.329 172 W C -1.885 174.638 176.519 0.007 0.000 1.246 172 W CA -0.820 56.530 57.345 0.008 0.000 1.190 172 W CB 0.932 30.398 29.460 0.009 0.000 1.423 172 W HN 0.528 nan 8.180 nan 0.000 0.571 173 E N 1.284 121.622 120.200 0.230 0.000 2.308 173 E HA 0.444 4.795 4.350 0.001 0.000 0.275 173 E C -1.534 175.237 176.600 0.285 0.000 0.890 173 E CA -0.535 55.910 56.400 0.076 0.000 0.754 173 E CB 2.816 32.519 29.700 0.005 0.000 1.207 173 E HN 0.385 nan 8.360 nan 0.000 0.426 174 S N 2.669 118.538 115.700 0.282 0.000 2.526 174 S HA 0.870 5.340 4.470 0.001 0.000 0.293 174 S C -0.696 173.983 174.600 0.132 0.000 1.092 174 S CA -0.641 57.704 58.200 0.240 0.000 0.980 174 S CB 0.589 63.983 63.200 0.322 0.000 1.048 174 S HN 0.477 nan 8.310 nan 0.000 0.483 175 I N 0.924 121.549 120.570 0.091 0.000 3.102 175 I HA 0.654 4.825 4.170 0.001 0.000 0.310 175 I C -0.475 175.672 176.117 0.050 0.000 1.246 175 I CA -1.071 60.265 61.300 0.059 0.000 0.979 175 I CB 2.052 40.076 38.000 0.039 0.000 1.267 175 I HN 0.522 nan 8.210 nan 0.000 0.451 176 R N 3.559 124.082 120.500 0.039 0.000 3.534 176 R HA 0.567 4.907 4.340 0.001 0.000 0.312 176 R C -1.321 174.995 176.300 0.026 0.000 1.419 176 R CA -0.238 55.882 56.100 0.033 0.000 1.262 176 R CB -0.455 29.864 30.300 0.032 0.000 1.437 176 R HN 0.686 nan 8.270 nan 0.000 0.627 177 I N 0.296 120.881 120.570 0.024 0.000 2.512 177 I HA 0.371 4.541 4.170 0.001 0.000 0.287 177 I C -0.530 175.597 176.117 0.017 0.000 1.069 177 I CA -0.713 60.598 61.300 0.019 0.000 1.056 177 I CB 2.232 40.242 38.000 0.017 0.000 1.229 177 I HN 0.148 nan 8.210 nan 0.000 0.429 178 A N 4.275 127.103 122.820 0.014 0.000 2.249 178 A HA 0.538 4.859 4.320 0.001 0.000 0.238 178 A C 0.372 177.960 177.584 0.007 0.000 1.638 178 A CA 0.238 52.281 52.037 0.009 0.000 1.716 178 A CB -0.427 18.579 19.000 0.011 0.000 0.959 178 A HN 1.273 nan 8.150 nan 0.000 0.901 179 G N 0.259 109.063 108.800 0.007 0.000 2.399 179 G HA2 -0.277 3.683 3.960 0.001 0.000 0.216 179 G HA3 -0.277 3.683 3.960 0.001 0.000 0.216 179 G C 0.725 175.631 174.900 0.011 0.000 1.096 179 G CA 0.949 46.053 45.100 0.007 0.000 0.650 179 G HN 0.506 nan 8.290 nan 0.000 0.512 180 D N 1.000 121.407 120.400 0.012 0.000 2.162 180 D HA 0.162 4.802 4.640 0.001 0.000 0.203 180 D C 2.190 178.501 176.300 0.018 0.000 0.967 180 D CA 1.303 55.312 54.000 0.016 0.000 0.840 180 D CB -0.159 40.650 40.800 0.016 0.000 0.972 180 D HN 0.472 nan 8.370 nan 0.000 0.482 181 E N -0.194 120.017 120.200 0.017 0.000 2.347 181 E HA -0.010 4.340 4.350 0.001 0.000 0.196 181 E C 1.951 178.563 176.600 0.020 0.000 1.008 181 E CA 0.404 56.816 56.400 0.019 0.000 0.852 181 E CB -0.084 29.626 29.700 0.017 0.000 0.783 181 E HN 0.349 nan 8.360 nan 0.000 0.505 182 M N 0.143 119.753 119.600 0.017 0.000 2.115 182 M HA -0.109 4.371 4.480 0.001 0.000 0.261 182 M C 1.374 177.688 176.300 0.024 0.000 1.079 182 M CA 1.218 56.527 55.300 0.016 0.000 1.143 182 M CB -0.145 32.462 32.600 0.011 0.000 1.332 182 M HN -0.039 nan 8.290 nan 0.000 0.421 183 D N 0.712 121.126 120.400 0.024 0.000 2.133 183 D HA -0.246 4.394 4.640 0.001 0.000 0.192 183 D C 1.734 178.057 176.300 0.038 0.000 1.001 183 D CA 1.701 55.718 54.000 0.030 0.000 0.844 183 D CB -0.635 40.180 40.800 0.025 0.000 0.944 183 D HN 0.519 nan 8.370 nan 0.000 0.447 184 E N 0.925 121.145 120.200 0.033 0.000 2.097 184 E HA -0.222 4.129 4.350 0.001 0.000 0.196 184 E C 1.933 178.562 176.600 0.049 0.000 1.000 184 E CA 1.469 57.892 56.400 0.037 0.000 0.804 184 E CB -0.115 29.603 29.700 0.030 0.000 0.740 184 E HN 0.194 nan 8.360 nan 0.000 0.454 185 A N 0.960 123.809 122.820 0.048 0.000 1.969 185 A HA -0.072 4.248 4.320 0.001 0.000 0.218 185 A C 2.197 179.842 177.584 0.101 0.000 1.169 185 A CA 1.086 53.160 52.037 0.061 0.000 0.635 185 A CB -0.457 18.565 19.000 0.038 0.000 0.810 185 A HN 0.351 nan 8.150 nan 0.000 0.445 186 I N -0.766 119.859 120.570 0.093 0.000 2.202 186 I HA -0.195 3.976 4.170 0.001 0.000 0.242 186 I C 2.368 178.585 176.117 0.166 0.000 1.091 186 I CA 0.971 62.356 61.300 0.141 0.000 1.368 186 I CB -0.288 37.770 38.000 0.096 0.000 1.058 186 I HN 0.145 nan 8.210 nan 0.000 0.410 187 V N 0.519 120.495 119.914 0.104 0.000 2.282 187 V HA -0.378 3.742 4.120 0.001 0.000 0.249 187 V C 2.488 178.631 176.094 0.081 0.000 1.057 187 V CA 2.291 64.639 62.300 0.080 0.000 1.032 187 V CB -0.712 31.142 31.823 0.053 0.000 0.645 187 V HN 0.525 nan 8.190 nan 0.000 0.447 188 Q N -1.154 118.699 119.800 0.087 0.000 2.050 188 Q HA -0.278 4.062 4.340 0.001 0.000 0.202 188 Q C 2.279 178.335 176.000 0.094 0.000 0.980 188 Q CA 2.415 58.264 55.803 0.076 0.000 0.840 188 Q CB -0.364 28.418 28.738 0.073 0.000 0.898 188 Q HN 0.757 nan 8.270 nan 0.000 0.424 189 Y N 0.538 120.857 120.300 0.031 0.000 2.081 189 Y HA -0.273 4.277 4.550 0.000 0.000 0.280 189 Y C 1.965 177.904 175.900 0.065 0.000 1.163 189 Y CA 1.852 59.972 58.100 0.034 0.000 1.135 189 Y CB -0.595 37.888 38.460 0.039 0.000 0.970 189 Y HN -0.023 nan 8.280 nan 0.000 0.498 190 V N 1.236 121.116 119.914 -0.056 0.000 2.332 190 V HA -0.319 3.802 4.120 0.001 0.000 0.248 190 V C 2.608 178.677 176.094 -0.042 0.000 1.055 190 V CA 2.315 64.581 62.300 -0.057 0.000 1.038 190 V CB -0.823 31.042 31.823 0.070 0.000 0.651 190 V HN 0.399 nan 8.190 nan 0.000 0.450 191 R N 0.705 121.191 120.500 -0.024 0.000 2.073 191 R HA -0.210 4.131 4.340 0.001 0.000 0.234 191 R C 2.361 178.629 176.300 -0.054 0.000 1.134 191 R CA 2.058 58.148 56.100 -0.016 0.000 0.952 191 R CB -0.198 30.102 30.300 0.001 0.000 0.850 191 R HN 0.812 nan 8.270 nan 0.000 0.433 192 E N -0.831 119.316 120.200 -0.088 0.000 2.435 192 E HA -0.063 4.287 4.350 0.001 0.000 0.195 192 E C 1.262 177.752 176.600 -0.183 0.000 1.029 192 E CA 1.246 57.588 56.400 -0.097 0.000 0.865 192 E CB 0.220 29.890 29.700 -0.049 0.000 0.833 192 E HN 0.438 nan 8.360 nan 0.000 0.510 193 T N -1.891 112.453 114.554 -0.351 0.000 3.004 193 T HA 0.056 4.406 4.350 0.001 0.000 0.243 193 T C 0.466 174.802 174.700 -0.607 0.000 1.020 193 T CA 0.003 61.779 62.100 -0.540 0.000 1.145 193 T CB -0.449 67.895 68.868 -0.874 0.000 0.876 193 T HN 0.134 nan 8.240 nan 0.000 0.449 194 Y N 0.690 120.871 120.300 -0.198 0.000 2.453 194 Y HA 0.619 5.170 4.550 0.001 0.000 0.326 194 Y C 1.196 177.037 175.900 -0.098 0.000 1.186 194 Y CA -1.431 56.597 58.100 -0.119 0.000 1.200 194 Y CB 1.133 39.525 38.460 -0.113 0.000 1.247 194 Y HN -0.211 nan 8.280 nan 0.000 0.482 195 R N 0.876 121.427 120.500 0.084 0.000 3.081 195 R HA 0.284 4.624 4.340 0.001 0.000 0.280 195 R C -1.158 175.161 176.300 0.032 0.000 1.372 195 R CA -0.110 56.008 56.100 0.031 0.000 1.242 195 R CB -0.301 30.006 30.300 0.012 0.000 1.316 195 R HN 0.320 nan 8.270 nan 0.000 0.585 196 V N 0.785 120.728 119.914 0.049 0.000 2.532 196 V HA 0.455 4.576 4.120 0.001 0.000 0.295 196 V C 0.147 176.249 176.094 0.015 0.000 1.041 196 V CA -0.938 61.375 62.300 0.023 0.000 0.926 196 V CB 1.701 33.527 31.823 0.004 0.000 0.992 196 V HN 0.263 nan 8.190 nan 0.000 0.457 197 A N 6.496 129.320 122.820 0.007 0.000 2.249 197 A HA 0.802 5.123 4.320 0.001 0.000 0.314 197 A C -0.318 177.269 177.584 0.006 0.000 1.290 197 A CA -0.433 51.609 52.037 0.008 0.000 0.893 197 A CB 0.089 19.093 19.000 0.007 0.000 1.165 197 A HN 0.875 nan 8.150 nan 0.000 0.530 198 I N 0.040 120.617 120.570 0.012 0.000 3.100 198 I HA 1.004 5.174 4.170 0.001 0.000 0.312 198 I C 0.364 176.491 176.117 0.017 0.000 1.063 198 I CA -1.052 60.255 61.300 0.012 0.000 1.031 198 I CB 2.225 40.234 38.000 0.015 0.000 1.243 198 I HN 0.535 nan 8.210 nan 0.000 0.483 199 G N 0.546 109.356 108.800 0.015 0.000 2.818 199 G HA2 0.326 4.286 3.960 0.001 0.000 0.286 199 G HA3 0.326 4.286 3.960 0.001 0.000 0.286 199 G C -0.092 174.819 174.900 0.018 0.000 1.364 199 G CA -0.456 44.654 45.100 0.016 0.000 0.938 199 G HN 0.827 nan 8.290 nan 0.000 0.490 200 E N -0.376 119.834 120.200 0.017 0.000 2.110 200 E HA -0.296 4.054 4.350 0.001 0.000 0.225 200 E C 2.516 179.126 176.600 0.017 0.000 1.063 200 E CA 1.935 58.345 56.400 0.018 0.000 0.906 200 E CB -0.049 29.660 29.700 0.016 0.000 0.795 200 E HN 0.461 nan 8.360 nan 0.000 0.479 201 R N -0.518 119.991 120.500 0.015 0.000 2.159 201 R HA -0.099 4.241 4.340 0.001 0.000 0.237 201 R C 2.413 178.722 176.300 0.014 0.000 1.131 201 R CA 1.538 57.647 56.100 0.014 0.000 0.982 201 R CB -0.274 30.033 30.300 0.012 0.000 0.868 201 R HN 0.172 nan 8.270 nan 0.000 0.453 202 T N 0.526 115.089 114.554 0.015 0.000 2.814 202 T HA 0.021 4.371 4.350 0.001 0.000 0.254 202 T C 1.979 176.692 174.700 0.022 0.000 1.037 202 T CA 0.995 63.104 62.100 0.015 0.000 1.143 202 T CB -0.204 68.671 68.868 0.011 0.000 0.866 202 T HN 0.344 nan 8.240 nan 0.000 0.431 203 A N 1.660 124.497 122.820 0.028 0.000 1.929 203 A HA -0.299 4.021 4.320 0.001 0.000 0.221 203 A C 2.142 179.743 177.584 0.029 0.000 1.211 203 A CA 2.509 54.567 52.037 0.035 0.000 0.657 203 A CB -0.824 18.198 19.000 0.036 0.000 0.827 203 A HN 0.662 nan 8.150 nan 0.000 0.462 204 E N -0.850 119.364 120.200 0.023 0.000 2.077 204 E HA -0.230 4.121 4.350 0.001 0.000 0.193 204 E C 2.340 178.950 176.600 0.017 0.000 0.989 204 E CA 1.179 57.590 56.400 0.019 0.000 0.800 204 E CB -0.159 29.551 29.700 0.017 0.000 0.746 204 E HN 0.632 nan 8.360 nan 0.000 0.452 205 R N 0.184 120.694 120.500 0.017 0.000 2.092 205 R HA -0.101 4.239 4.340 0.001 0.000 0.231 205 R C 2.293 178.603 176.300 0.017 0.000 1.119 205 R CA 1.169 57.277 56.100 0.015 0.000 0.970 205 R CB -0.134 30.173 30.300 0.012 0.000 0.864 205 R HN 0.096 nan 8.270 nan 0.000 0.440 206 V N 1.833 121.760 119.914 0.022 0.000 2.255 206 V HA -0.314 3.806 4.120 0.001 0.000 0.247 206 V C 2.494 178.602 176.094 0.024 0.000 1.051 206 V CA 2.323 64.640 62.300 0.027 0.000 1.018 206 V CB -0.576 31.273 31.823 0.043 0.000 0.641 206 V HN 0.445 nan 8.190 nan 0.000 0.445 207 K N -0.187 120.227 120.400 0.023 0.000 2.074 207 K HA -0.215 4.106 4.320 0.001 0.000 0.209 207 K C 2.068 178.675 176.600 0.012 0.000 1.048 207 K CA 2.058 58.355 56.287 0.016 0.000 0.926 207 K CB -0.287 32.222 32.500 0.016 0.000 0.713 207 K HN 0.445 nan 8.250 nan 0.000 0.444 208 I N 0.812 121.389 120.570 0.012 0.000 2.252 208 I HA -0.225 3.946 4.170 0.001 0.000 0.245 208 I C 2.130 178.253 176.117 0.010 0.000 1.102 208 I CA 1.386 62.691 61.300 0.009 0.000 1.385 208 I CB -0.140 37.865 38.000 0.009 0.000 1.064 208 I HN 0.307 nan 8.210 nan 0.000 0.414 209 E N 0.574 120.781 120.200 0.012 0.000 2.112 209 E HA -0.077 4.273 4.350 0.001 0.000 0.190 209 E C 1.495 178.103 176.600 0.013 0.000 0.979 209 E CA 1.235 57.642 56.400 0.011 0.000 0.814 209 E CB 0.282 29.989 29.700 0.012 0.000 0.762 209 E HN 0.605 nan 8.360 nan 0.000 0.460 210 I N -3.504 117.075 120.570 0.014 0.000 3.820 210 I HA 0.362 4.533 4.170 0.001 0.000 0.323 210 I C 0.347 176.471 176.117 0.011 0.000 1.482 210 I CA -0.583 60.726 61.300 0.014 0.000 1.048 210 I CB 0.790 38.801 38.000 0.018 0.000 1.436 210 I HN -0.190 nan 8.210 nan 0.000 0.575 211 G N 2.741 111.546 108.800 0.010 0.000 2.432 211 G HA2 0.496 4.456 3.960 0.001 0.000 0.257 211 G HA3 0.496 4.456 3.960 0.001 0.000 0.257 211 G C -0.684 174.221 174.900 0.009 0.000 1.238 211 G CA -0.239 44.864 45.100 0.005 0.000 0.838 211 G HN 0.652 nan 8.290 nan 0.000 0.547 212 N N -0.773 117.932 118.700 0.008 0.000 2.935 212 N HA 0.148 4.888 4.740 0.001 0.000 0.248 212 N C -0.612 174.918 175.510 0.032 0.000 1.276 212 N CA -0.595 52.471 53.050 0.027 0.000 0.906 212 N CB 1.616 40.125 38.487 0.036 0.000 1.564 212 N HN 0.673 nan 8.380 nan 0.000 0.500 213 V N -2.696 117.261 119.914 0.071 0.000 2.988 213 V HA 0.562 4.683 4.120 0.001 0.000 0.356 213 V C -0.657 175.560 176.094 0.206 0.000 1.380 213 V CA -0.300 62.055 62.300 0.091 0.000 1.184 213 V CB -0.993 30.876 31.823 0.077 0.000 1.204 213 V HN 0.492 nan 8.190 nan 0.000 0.530 214 F N 1.493 121.431 119.950 -0.020 0.000 2.573 214 F HA 0.808 5.335 4.527 0.000 0.000 0.316 214 F C -2.897 172.895 175.800 -0.015 0.000 1.148 214 F CA -2.357 55.633 58.000 -0.016 0.000 0.940 214 F CB 2.836 41.828 39.000 -0.013 0.000 1.214 214 F HN -0.053 nan 8.300 nan 0.000 0.448 215 P HA 0.374 nan 4.420 nan 0.000 0.269 215 P C -1.406 175.823 177.300 -0.118 0.000 1.215 215 P CA 0.106 63.062 63.100 -0.240 0.000 0.780 215 P CB 0.935 32.432 31.700 -0.339 0.000 0.898 216 S N -0.614 115.058 115.700 -0.047 0.000 2.862 216 S HA 0.086 4.557 4.470 0.001 0.000 0.291 216 S C 0.500 175.104 174.600 0.006 0.000 0.772 216 S CA -0.930 57.272 58.200 0.004 0.000 0.762 216 S CB 0.004 63.246 63.200 0.069 0.000 0.963 216 S HN 0.386 nan 8.310 nan 0.000 0.537 217 K N 1.857 122.260 120.400 0.005 0.000 2.137 217 K HA -0.298 4.022 4.320 0.001 0.000 0.216 217 K C 1.731 178.339 176.600 0.013 0.000 1.052 217 K CA 2.681 58.972 56.287 0.006 0.000 0.939 217 K CB -0.399 32.106 32.500 0.008 0.000 0.724 217 K HN 0.732 nan 8.250 nan 0.000 0.465 218 E N -0.315 119.898 120.200 0.021 0.000 2.012 218 E HA -0.248 4.102 4.350 0.001 0.000 0.197 218 E C 1.695 178.308 176.600 0.023 0.000 1.007 218 E CA 1.684 58.098 56.400 0.023 0.000 0.816 218 E CB -0.189 29.529 29.700 0.030 0.000 0.762 218 E HN 0.404 nan 8.360 nan 0.000 0.451 219 N N 1.180 119.898 118.700 0.030 0.000 2.205 219 N HA -0.139 4.601 4.740 0.001 0.000 0.186 219 N C 1.179 176.697 175.510 0.014 0.000 1.015 219 N CA 1.216 54.282 53.050 0.027 0.000 0.862 219 N CB -0.355 38.156 38.487 0.040 0.000 0.986 219 N HN 0.246 nan 8.380 nan 0.000 0.429 220 D N 0.460 120.864 120.400 0.007 0.000 2.348 220 D HA -0.042 4.598 4.640 0.001 0.000 0.216 220 D C 0.747 177.052 176.300 0.009 0.000 0.970 220 D CA 0.638 54.640 54.000 0.003 0.000 0.889 220 D CB 0.064 40.861 40.800 -0.005 0.000 0.912 220 D HN 0.466 nan 8.370 nan 0.000 0.524 221 E N -0.416 119.791 120.200 0.012 0.000 2.526 221 E HA 0.156 4.507 4.350 0.001 0.000 0.208 221 E C 0.084 176.693 176.600 0.014 0.000 0.997 221 E CA -0.207 56.201 56.400 0.013 0.000 0.961 221 E CB 0.722 30.429 29.700 0.012 0.000 1.030 221 E HN 0.165 nan 8.360 nan 0.000 0.483 222 L N 3.192 124.424 121.223 0.015 0.000 2.462 222 L HA 0.087 4.427 4.340 0.001 0.000 0.272 222 L C 0.587 177.468 176.870 0.017 0.000 1.166 222 L CA 0.451 55.300 54.840 0.015 0.000 0.880 222 L CB 0.033 42.101 42.059 0.015 0.000 1.142 222 L HN 0.147 nan 8.230 nan 0.000 0.473 223 E N 2.081 122.291 120.200 0.016 0.000 2.392 223 E HA 0.744 5.094 4.350 0.001 0.000 0.269 223 E C -1.077 175.531 176.600 0.014 0.000 0.924 223 E CA -0.842 55.569 56.400 0.018 0.000 0.784 223 E CB 2.659 32.369 29.700 0.016 0.000 1.292 223 E HN 0.362 nan 8.360 nan 0.000 0.447 224 T N 0.046 114.608 114.554 0.013 0.000 2.821 224 T HA 0.427 4.777 4.350 0.001 0.000 0.306 224 T C -1.562 173.136 174.700 -0.004 0.000 1.313 224 T CA -0.362 61.742 62.100 0.006 0.000 1.012 224 T CB 1.807 70.681 68.868 0.010 0.000 1.298 224 T HN 0.694 nan 8.240 nan 0.000 0.502 225 T N 0.212 114.759 114.554 -0.011 0.000 2.807 225 T HA 0.783 5.133 4.350 0.001 0.000 0.279 225 T C -0.247 174.439 174.700 -0.024 0.000 0.993 225 T CA -0.553 61.532 62.100 -0.025 0.000 0.970 225 T CB 0.895 69.747 68.868 -0.026 0.000 0.950 225 T HN 0.889 nan 8.240 nan 0.000 0.441 226 V N -0.064 119.828 119.914 -0.038 0.000 3.040 226 V HA 0.914 5.035 4.120 0.001 0.000 0.312 226 V C -0.261 175.808 176.094 -0.042 0.000 1.115 226 V CA -0.916 61.366 62.300 -0.031 0.000 0.998 226 V CB 1.762 33.572 31.823 -0.022 0.000 1.042 226 V HN 0.971 nan 8.190 nan 0.000 0.433 227 S N 0.500 116.182 115.700 -0.030 0.000 2.482 227 S HA 0.947 5.417 4.470 0.001 0.000 0.303 227 S C 0.042 174.627 174.600 -0.024 0.000 1.091 227 S CA 0.301 58.482 58.200 -0.031 0.000 1.057 227 S CB 1.308 64.494 63.200 -0.022 0.000 1.031 227 S HN 1.646 nan 8.310 nan 0.000 0.485 228 G N 2.181 110.964 108.800 -0.028 0.000 2.827 228 G HA2 0.600 4.560 3.960 0.001 0.000 0.296 228 G HA3 0.600 4.560 3.960 0.001 0.000 0.296 228 G C -1.753 173.138 174.900 -0.016 0.000 1.362 228 G CA -0.516 44.573 45.100 -0.018 0.000 0.809 228 G HN 0.564 nan 8.290 nan 0.000 0.522 229 I N 1.525 122.089 120.570 -0.009 0.000 2.354 229 I HA 0.254 4.424 4.170 0.001 0.000 0.292 229 I C -0.546 175.569 176.117 -0.004 0.000 0.989 229 I CA -0.989 60.307 61.300 -0.007 0.000 1.188 229 I CB 1.296 39.294 38.000 -0.003 0.000 1.342 229 I HN 0.440 nan 8.210 nan 0.000 0.457 230 D N 6.108 126.506 120.400 -0.004 0.000 2.451 230 D HA -0.004 4.637 4.640 0.001 0.000 0.254 230 D C 1.104 177.406 176.300 0.003 0.000 1.204 230 D CA 0.243 54.244 54.000 0.002 0.000 0.896 230 D CB 0.833 41.634 40.800 0.002 0.000 1.136 230 D HN 0.422 nan 8.370 nan 0.000 0.499 231 L N 2.955 124.182 121.223 0.005 0.000 2.450 231 L HA -0.168 4.173 4.340 0.001 0.000 0.224 231 L C 2.255 179.127 176.870 0.003 0.000 1.149 231 L CA 1.041 55.883 54.840 0.004 0.000 0.816 231 L CB -0.324 41.737 42.059 0.004 0.000 0.932 231 L HN 0.413 nan 8.230 nan 0.000 0.449 232 S N -2.289 113.413 115.700 0.003 0.000 2.427 232 S HA -0.077 4.393 4.470 0.001 0.000 0.224 232 S C 1.839 176.440 174.600 0.002 0.000 1.047 232 S CA 0.674 58.876 58.200 0.002 0.000 0.953 232 S CB -0.442 62.760 63.200 0.003 0.000 0.824 232 S HN 0.443 nan 8.310 nan 0.000 0.502 233 T N -2.361 112.194 114.554 0.002 0.000 3.086 233 T HA 0.485 4.835 4.350 0.001 0.000 0.250 233 T C 1.640 176.340 174.700 -0.000 0.000 1.074 233 T CA 0.632 62.733 62.100 0.001 0.000 0.988 233 T CB -0.191 68.678 68.868 0.001 0.000 0.988 233 T HN 1.051 nan 8.240 nan 0.000 0.530 234 G N 1.362 110.162 108.800 -0.000 0.000 2.205 234 G HA2 -0.270 3.690 3.960 0.001 0.000 0.269 234 G HA3 -0.270 3.690 3.960 0.001 0.000 0.269 234 G C 0.003 174.902 174.900 -0.002 0.000 0.977 234 G CA 0.785 45.885 45.100 -0.001 0.000 0.652 234 G HN 0.640 nan 8.290 nan 0.000 0.539 235 L N 0.793 122.014 121.223 -0.003 0.000 2.399 235 L HA 0.514 4.854 4.340 0.001 0.000 0.265 235 L C -1.955 174.911 176.870 -0.007 0.000 1.089 235 L CA -2.453 52.384 54.840 -0.004 0.000 0.802 235 L CB 1.213 43.269 42.059 -0.004 0.000 1.180 235 L HN -0.162 nan 8.230 nan 0.000 0.454 236 P HA 0.268 nan 4.420 nan 0.000 0.281 236 P C -0.900 176.390 177.300 -0.017 0.000 1.286 236 P CA -0.206 62.887 63.100 -0.012 0.000 0.772 236 P CB 0.766 32.459 31.700 -0.011 0.000 0.862 237 R N 2.671 123.157 120.500 -0.023 0.000 2.719 237 R HA 0.646 4.986 4.340 0.001 0.000 0.233 237 R C -0.023 176.250 176.300 -0.046 0.000 1.257 237 R CA -0.900 55.180 56.100 -0.034 0.000 1.109 237 R CB 1.042 31.319 30.300 -0.039 0.000 1.447 237 R HN 0.360 nan 8.270 nan 0.000 0.537 238 K N 1.354 121.715 120.400 -0.065 0.000 2.616 238 K HA 0.283 4.603 4.320 0.001 0.000 0.255 238 K C -1.773 174.759 176.600 -0.114 0.000 0.995 238 K CA -0.462 55.781 56.287 -0.073 0.000 0.860 238 K CB 0.967 33.438 32.500 -0.049 0.000 1.264 238 K HN 0.408 nan 8.250 nan 0.000 0.451 239 L N 1.954 123.084 121.223 -0.155 0.000 2.322 239 L HA 0.598 4.938 4.340 0.001 0.000 0.269 239 L C -0.306 176.469 176.870 -0.159 0.000 1.012 239 L CA -1.194 53.498 54.840 -0.245 0.000 0.815 239 L CB 2.140 43.938 42.059 -0.435 0.000 1.295 239 L HN 0.583 nan 8.230 nan 0.000 0.438 240 T N 2.681 117.147 114.554 -0.147 0.000 2.791 240 T HA 0.543 4.893 4.350 0.001 0.000 0.288 240 T C -0.218 174.460 174.700 -0.037 0.000 0.999 240 T CA -0.416 61.644 62.100 -0.067 0.000 0.952 240 T CB 0.848 69.696 68.868 -0.033 0.000 0.938 240 T HN 0.271 nan 8.240 nan 0.000 0.444 241 L N 3.433 124.657 121.223 0.002 0.000 2.307 241 L HA 0.533 4.873 4.340 0.001 0.000 0.282 241 L C 0.376 177.289 176.870 0.071 0.000 1.051 241 L CA -1.035 53.852 54.840 0.078 0.000 0.804 241 L CB 0.982 43.105 42.059 0.106 0.000 1.197 241 L HN 0.280 nan 8.230 nan 0.000 0.431 242 K N 1.765 122.221 120.400 0.093 0.000 2.206 242 K HA 0.242 4.562 4.320 0.001 0.000 0.264 242 K C 0.972 177.596 176.600 0.040 0.000 0.967 242 K CA -0.331 55.991 56.287 0.059 0.000 0.844 242 K CB 1.868 34.403 32.500 0.060 0.000 1.099 242 K HN 0.788 nan 8.250 nan 0.000 0.441 243 G N 2.417 111.230 108.800 0.022 0.000 2.626 243 G HA2 -0.297 3.663 3.960 0.001 0.000 0.224 243 G HA3 -0.297 3.663 3.960 0.001 0.000 0.224 243 G C 1.237 176.129 174.900 -0.013 0.000 1.095 243 G CA 1.454 46.557 45.100 0.005 0.000 0.738 243 G HN 0.692 nan 8.290 nan 0.000 0.600 244 G N 0.425 109.221 108.800 -0.007 0.000 2.494 244 G HA2 0.070 4.031 3.960 0.001 0.000 0.216 244 G HA3 0.070 4.031 3.960 0.001 0.000 0.216 244 G C 1.557 176.430 174.900 -0.045 0.000 1.140 244 G CA 0.865 45.951 45.100 -0.023 0.000 0.801 244 G HN 0.601 nan 8.290 nan 0.000 0.536 245 E N 0.339 120.520 120.200 -0.030 0.000 2.112 245 E HA 0.002 4.352 4.350 0.001 0.000 0.190 245 E C 2.349 178.740 176.600 -0.349 0.000 0.979 245 E CA 0.477 56.831 56.400 -0.077 0.000 0.814 245 E CB -0.174 29.608 29.700 0.136 0.000 0.762 245 E HN 0.218 nan 8.360 nan 0.000 0.460 246 V N 1.631 121.377 119.914 -0.281 0.000 2.626 246 V HA -0.196 3.924 4.120 0.001 0.000 0.252 246 V C 2.489 178.443 176.094 -0.233 0.000 1.067 246 V CA 1.648 63.746 62.300 -0.336 0.000 1.081 246 V CB -0.448 31.298 31.823 -0.129 0.000 0.686 246 V HN 0.214 nan 8.190 nan 0.000 0.468 247 R N -0.058 120.352 120.500 -0.151 0.000 2.081 247 R HA -0.178 4.163 4.340 0.001 0.000 0.235 247 R C 2.345 178.584 176.300 -0.101 0.000 1.131 247 R CA 1.653 57.696 56.100 -0.094 0.000 0.960 247 R CB -0.255 30.006 30.300 -0.064 0.000 0.856 247 R HN 0.466 nan 8.270 nan 0.000 0.436 248 E N 0.385 120.506 120.200 -0.131 0.000 2.048 248 E HA -0.265 4.086 4.350 0.001 0.000 0.202 248 E C 1.795 178.337 176.600 -0.097 0.000 1.021 248 E CA 1.859 58.194 56.400 -0.107 0.000 0.825 248 E CB -0.286 29.343 29.700 -0.118 0.000 0.756 248 E HN 0.489 nan 8.360 nan 0.000 0.454 249 A N 1.031 123.761 122.820 -0.151 0.000 1.865 249 A HA -0.176 4.145 4.320 0.001 0.000 0.217 249 A C 2.471 180.024 177.584 -0.052 0.000 1.191 249 A CA 1.517 53.500 52.037 -0.091 0.000 0.623 249 A CB -0.863 18.068 19.000 -0.115 0.000 0.826 249 A HN 0.266 nan 8.150 nan 0.000 0.444 250 L N -1.278 119.908 121.223 -0.063 0.000 2.083 250 L HA -0.209 4.131 4.340 0.001 0.000 0.209 250 L C 2.877 179.739 176.870 -0.014 0.000 1.083 250 L CA 1.504 56.326 54.840 -0.029 0.000 0.752 250 L CB -0.472 41.571 42.059 -0.026 0.000 0.899 250 L HN 0.370 nan 8.230 nan 0.000 0.433 251 R N -0.427 120.063 120.500 -0.017 0.000 2.083 251 R HA -0.207 4.134 4.340 0.001 0.000 0.237 251 R C 2.657 178.957 176.300 -0.000 0.000 1.137 251 R CA 1.771 57.870 56.100 -0.002 0.000 0.951 251 R CB -0.563 29.733 30.300 -0.006 0.000 0.851 251 R HN 0.355 nan 8.270 nan 0.000 0.434 252 S N 0.299 115.996 115.700 -0.006 0.000 2.372 252 S HA -0.180 4.290 4.470 0.001 0.000 0.227 252 S C 2.040 176.643 174.600 0.005 0.000 1.044 252 S CA 1.906 60.106 58.200 -0.000 0.000 1.050 252 S CB -0.393 62.806 63.200 -0.000 0.000 0.901 252 S HN 0.169 nan 8.310 nan 0.000 0.447 253 V N 0.766 120.683 119.914 0.005 0.000 2.343 253 V HA -0.065 4.055 4.120 0.001 0.000 0.247 253 V C 2.524 178.623 176.094 0.009 0.000 1.051 253 V CA 1.776 64.081 62.300 0.008 0.000 1.036 253 V CB -0.503 31.326 31.823 0.009 0.000 0.654 253 V HN 0.556 nan 8.190 nan 0.000 0.451 254 V N -0.966 118.953 119.914 0.008 0.000 2.951 254 V HA -0.064 4.056 4.120 0.001 0.000 0.255 254 V C 2.328 178.429 176.094 0.011 0.000 1.088 254 V CA 1.500 63.806 62.300 0.010 0.000 1.109 254 V CB 0.739 32.569 31.823 0.011 0.000 0.724 254 V HN 0.352 nan 8.190 nan 0.000 0.471 255 V N 1.034 120.955 119.914 0.012 0.000 2.370 255 V HA -0.302 3.818 4.120 0.001 0.000 0.252 255 V C 2.548 178.648 176.094 0.010 0.000 1.068 255 V CA 2.640 64.947 62.300 0.012 0.000 1.061 255 V CB -0.569 31.260 31.823 0.010 0.000 0.656 255 V HN 0.661 nan 8.190 nan 0.000 0.455 256 A N -1.166 121.660 122.820 0.009 0.000 2.119 256 A HA 0.071 4.391 4.320 0.001 0.000 0.216 256 A C 1.986 179.576 177.584 0.010 0.000 1.152 256 A CA 1.243 53.285 52.037 0.009 0.000 0.708 256 A CB -0.359 18.646 19.000 0.010 0.000 0.805 256 A HN 0.615 nan 8.150 nan 0.000 0.460 257 I N -1.156 119.420 120.570 0.010 0.000 2.494 257 I HA -0.104 4.067 4.170 0.001 0.000 0.250 257 I C 2.218 178.341 176.117 0.009 0.000 1.112 257 I CA 0.476 61.782 61.300 0.011 0.000 1.438 257 I CB -0.245 37.760 38.000 0.007 0.000 1.111 257 I HN 0.096 nan 8.210 nan 0.000 0.431 258 V N 1.040 120.959 119.914 0.008 0.000 2.255 258 V HA -0.340 3.780 4.120 0.001 0.000 0.247 258 V C 2.442 178.540 176.094 0.007 0.000 1.051 258 V CA 2.205 64.509 62.300 0.008 0.000 1.018 258 V CB -0.617 31.212 31.823 0.011 0.000 0.641 258 V HN 0.430 nan 8.190 nan 0.000 0.445 259 E N -0.531 119.673 120.200 0.006 0.000 2.219 259 E HA -0.229 4.121 4.350 0.001 0.000 0.198 259 E C 2.392 178.993 176.600 0.001 0.000 0.998 259 E CA 1.388 57.789 56.400 0.003 0.000 0.818 259 E CB -0.168 29.533 29.700 0.002 0.000 0.741 259 E HN 0.519 nan 8.360 nan 0.000 0.477 260 S N -1.103 114.599 115.700 0.005 0.000 2.395 260 S HA -0.074 4.396 4.470 0.001 0.000 0.225 260 S C 1.850 176.455 174.600 0.008 0.000 1.027 260 S CA 0.689 58.893 58.200 0.006 0.000 0.965 260 S CB 0.075 63.285 63.200 0.017 0.000 0.812 260 S HN 0.120 nan 8.310 nan 0.000 0.482 261 V N 2.201 122.122 119.914 0.011 0.000 2.270 261 V HA -0.100 4.020 4.120 0.001 0.000 0.245 261 V C 2.607 178.706 176.094 0.008 0.000 1.043 261 V CA 2.083 64.391 62.300 0.014 0.000 1.014 261 V CB -0.697 31.133 31.823 0.012 0.000 0.645 261 V HN 0.453 nan 8.190 nan 0.000 0.447 262 R N -0.192 120.310 120.500 0.004 0.000 2.094 262 R HA -0.218 4.122 4.340 0.001 0.000 0.239 262 R C 2.378 178.675 176.300 -0.005 0.000 1.137 262 R CA 2.323 58.423 56.100 0.001 0.000 0.943 262 R CB -0.709 29.592 30.300 0.001 0.000 0.850 262 R HN 0.460 nan 8.270 nan 0.000 0.433 263 T N 0.025 114.574 114.554 -0.010 0.000 2.849 263 T HA -0.120 4.230 4.350 0.001 0.000 0.270 263 T C 1.439 176.122 174.700 -0.027 0.000 1.066 263 T CA 1.865 63.953 62.100 -0.021 0.000 1.130 263 T CB -0.172 68.679 68.868 -0.028 0.000 0.864 263 T HN 0.495 nan 8.240 nan 0.000 0.481 264 T N 2.144 116.688 114.554 -0.017 0.000 2.698 264 T HA 0.109 4.459 4.350 0.001 0.000 0.260 264 T C 1.985 176.680 174.700 -0.007 0.000 1.044 264 T CA 0.717 62.809 62.100 -0.015 0.000 1.149 264 T CB -0.463 68.412 68.868 0.011 0.000 0.864 264 T HN 0.271 nan 8.240 nan 0.000 0.419 265 L N 1.109 122.333 121.223 0.002 0.000 2.103 265 L HA -0.233 4.107 4.340 0.001 0.000 0.215 265 L C 2.772 179.639 176.870 -0.004 0.000 1.080 265 L CA 1.635 56.477 54.840 0.003 0.000 0.764 265 L CB -0.816 41.246 42.059 0.005 0.000 0.890 265 L HN 0.406 nan 8.230 nan 0.000 0.435 266 E N 0.754 120.948 120.200 -0.010 0.000 2.051 266 E HA -0.228 4.122 4.350 0.001 0.000 0.192 266 E C 1.766 178.355 176.600 -0.017 0.000 0.991 266 E CA 1.496 57.888 56.400 -0.013 0.000 0.799 266 E CB -0.115 29.575 29.700 -0.016 0.000 0.748 266 E HN 0.587 nan 8.360 nan 0.000 0.449 267 K N 1.126 121.511 120.400 -0.026 0.000 2.504 267 K HA 0.110 4.431 4.320 0.001 0.000 0.199 267 K C -0.103 176.484 176.600 -0.021 0.000 1.028 267 K CA 0.202 56.471 56.287 -0.031 0.000 1.164 267 K CB 0.284 32.753 32.500 -0.052 0.000 0.877 267 K HN -0.210 nan 8.250 nan 0.000 0.508 268 T N 3.411 117.959 114.554 -0.010 0.000 2.856 268 T HA 0.236 4.586 4.350 0.001 0.000 0.292 268 T C -2.542 172.159 174.700 0.001 0.000 0.980 268 T CA -1.555 60.545 62.100 0.001 0.000 1.091 268 T CB 1.307 70.180 68.868 0.008 0.000 0.936 268 T HN 0.068 nan 8.240 nan 0.000 0.503 269 P HA 0.120 nan 4.420 nan 0.000 0.262 269 P C -1.918 175.384 177.300 0.004 0.000 1.199 269 P CA -1.130 61.972 63.100 0.004 0.000 0.763 269 P CB 0.197 31.901 31.700 0.007 0.000 0.790 270 P HA -0.251 nan 4.420 nan 0.000 0.216 270 P C 1.527 178.828 177.300 0.002 0.000 1.154 270 P CA 1.496 64.597 63.100 0.002 0.000 0.865 270 P CB -0.184 31.516 31.700 0.000 0.000 0.789 271 E N 0.184 120.386 120.200 0.002 0.000 2.130 271 E HA -0.198 4.152 4.350 0.001 0.000 0.196 271 E C 1.894 178.495 176.600 0.003 0.000 0.998 271 E CA 1.407 57.809 56.400 0.002 0.000 0.806 271 E CB -1.391 28.310 29.700 0.002 0.000 0.738 271 E HN 0.310 nan 8.360 nan 0.000 0.459 272 L N 0.765 121.991 121.223 0.005 0.000 2.270 272 L HA -0.039 4.301 4.340 0.001 0.000 0.210 272 L C 2.663 179.538 176.870 0.008 0.000 1.104 272 L CA 0.241 55.085 54.840 0.007 0.000 0.804 272 L CB -0.117 41.949 42.059 0.011 0.000 0.937 272 L HN -0.051 nan 8.230 nan 0.000 0.450 273 V N -0.702 119.216 119.914 0.007 0.000 2.407 273 V HA -0.250 3.871 4.120 0.001 0.000 0.248 273 V C 2.514 178.611 176.094 0.006 0.000 1.055 273 V CA 1.992 64.296 62.300 0.007 0.000 1.049 273 V CB -0.333 31.493 31.823 0.005 0.000 0.662 273 V HN 0.397 nan 8.190 nan 0.000 0.455 274 S N -0.099 115.604 115.700 0.004 0.000 2.402 274 S HA -0.183 4.287 4.470 0.001 0.000 0.229 274 S C 1.667 176.268 174.600 0.002 0.000 1.021 274 S CA 1.393 59.594 58.200 0.002 0.000 0.974 274 S CB -0.318 62.883 63.200 0.001 0.000 0.800 274 S HN 0.638 nan 8.310 nan 0.000 0.484 275 D N 1.285 121.686 120.400 0.002 0.000 2.162 275 D HA 0.076 4.716 4.640 0.001 0.000 0.203 275 D C 1.790 178.091 176.300 0.003 0.000 0.967 275 D CA 0.693 54.693 54.000 0.000 0.000 0.840 275 D CB -0.210 40.589 40.800 -0.002 0.000 0.972 275 D HN 0.358 nan 8.370 nan 0.000 0.482 276 I N 0.805 121.380 120.570 0.007 0.000 2.439 276 I HA -0.142 4.028 4.170 0.001 0.000 0.251 276 I C 2.266 178.390 176.117 0.012 0.000 1.139 276 I CA 0.549 61.857 61.300 0.013 0.000 1.438 276 I CB 0.035 38.046 38.000 0.018 0.000 1.085 276 I HN -0.096 nan 8.210 nan 0.000 0.427 277 I N 0.511 121.086 120.570 0.008 0.000 2.614 277 I HA -0.236 3.934 4.170 0.001 0.000 0.258 277 I C 2.462 178.582 176.117 0.005 0.000 1.189 277 I CA 1.162 62.466 61.300 0.007 0.000 1.462 277 I CB -0.192 37.810 38.000 0.005 0.000 1.092 277 I HN 0.304 nan 8.210 nan 0.000 0.442 278 E N 1.172 121.374 120.200 0.004 0.000 2.086 278 E HA -0.129 4.221 4.350 0.001 0.000 0.190 278 E C 2.304 178.906 176.600 0.003 0.000 0.975 278 E CA 0.740 57.141 56.400 0.002 0.000 0.813 278 E CB 0.184 29.884 29.700 -0.001 0.000 0.768 278 E HN 0.247 nan 8.360 nan 0.000 0.457 279 R N -0.365 120.138 120.500 0.004 0.000 2.080 279 R HA 0.262 4.602 4.340 0.001 0.000 0.222 279 R C 0.497 176.807 176.300 0.018 0.000 1.107 279 R CA 0.861 56.964 56.100 0.005 0.000 0.980 279 R CB 0.489 30.787 30.300 -0.002 0.000 0.879 279 R HN 0.270 nan 8.270 nan 0.000 0.439 280 G N -0.249 108.565 108.800 0.023 0.000 2.479 280 G HA2 -0.122 3.838 3.960 0.001 0.000 0.686 280 G HA3 -0.122 3.838 3.960 0.001 0.000 0.686 280 G C -0.959 173.975 174.900 0.056 0.000 1.295 280 G CA -0.985 44.135 45.100 0.035 0.000 0.922 280 G HN 0.058 nan 8.290 nan 0.000 0.582 281 I N 0.428 121.033 120.570 0.059 0.000 2.342 281 I HA 0.364 4.535 4.170 0.001 0.000 0.291 281 I C 0.109 176.305 176.117 0.132 0.000 1.010 281 I CA -0.495 60.853 61.300 0.080 0.000 1.308 281 I CB 1.185 39.210 38.000 0.041 0.000 1.400 281 I HN 0.431 nan 8.210 nan 0.000 0.488 282 F N 8.308 128.253 119.950 -0.009 0.000 2.439 282 F HA 0.302 4.829 4.527 0.001 0.000 0.356 282 F C -0.399 175.395 175.800 -0.010 0.000 1.161 282 F CA -0.673 57.320 58.000 -0.011 0.000 1.151 282 F CB 0.457 39.449 39.000 -0.012 0.000 1.222 282 F HN 0.255 nan 8.300 nan 0.000 0.558 283 L N 6.721 127.721 121.223 -0.371 0.000 2.261 283 L HA 0.420 4.761 4.340 0.001 0.000 0.289 283 L C -0.106 176.455 176.870 -0.515 0.000 1.059 283 L CA 0.452 55.090 54.840 -0.337 0.000 0.816 283 L CB 0.737 42.685 42.059 -0.185 0.000 1.191 283 L HN 0.667 nan 8.230 nan 0.000 0.431 284 T N 2.969 117.261 114.554 -0.436 0.000 2.888 284 T HA 0.874 5.225 4.350 0.001 0.000 0.288 284 T C -0.567 174.027 174.700 -0.177 0.000 1.063 284 T CA -0.031 61.841 62.100 -0.380 0.000 1.010 284 T CB 1.305 69.927 68.868 -0.409 0.000 1.214 284 T HN 1.154 nan 8.240 nan 0.000 0.533 285 G N -0.271 108.457 108.800 -0.120 0.000 2.788 285 G HA2 0.149 4.110 3.960 0.001 0.000 0.686 285 G HA3 0.149 4.110 3.960 0.001 0.000 0.686 285 G C 0.810 175.677 174.900 -0.055 0.000 1.147 285 G CA -0.007 45.053 45.100 -0.068 0.000 0.755 285 G HN 1.211 nan 8.290 nan 0.000 0.634 286 G N 0.097 108.876 108.800 -0.035 0.000 2.499 286 G HA2 0.174 4.134 3.960 0.001 0.000 0.221 286 G HA3 0.174 4.134 3.960 0.001 0.000 0.221 286 G C 1.834 176.720 174.900 -0.023 0.000 1.109 286 G CA 1.880 46.965 45.100 -0.025 0.000 0.749 286 G HN 1.902 nan 8.290 nan 0.000 0.568 287 G N 0.525 109.310 108.800 -0.024 0.000 2.484 287 G HA2 -0.062 3.899 3.960 0.001 0.000 0.218 287 G HA3 -0.062 3.899 3.960 0.001 0.000 0.218 287 G C 2.046 176.930 174.900 -0.026 0.000 1.130 287 G CA 1.434 46.523 45.100 -0.019 0.000 0.784 287 G HN 0.674 nan 8.290 nan 0.000 0.543 288 S N 0.156 115.831 115.700 -0.042 0.000 2.522 288 S HA 0.163 4.633 4.470 0.001 0.000 0.227 288 S C 1.500 176.071 174.600 -0.048 0.000 0.986 288 S CA -0.163 58.004 58.200 -0.054 0.000 0.929 288 S CB -0.245 62.901 63.200 -0.089 0.000 0.769 288 S HN 0.193 nan 8.310 nan 0.000 0.529 289 L N 2.302 123.503 121.223 -0.038 0.000 2.821 289 L HA 0.386 4.727 4.340 0.001 0.000 0.239 289 L C -0.142 176.716 176.870 -0.019 0.000 1.391 289 L CA -0.075 54.747 54.840 -0.030 0.000 1.231 289 L CB -0.451 41.594 42.059 -0.024 0.000 1.598 289 L HN 0.330 nan 8.230 nan 0.000 0.428 290 L N 1.441 122.653 121.223 -0.019 0.000 2.272 290 L HA 0.377 4.717 4.340 0.001 0.000 0.289 290 L C 0.501 177.367 176.870 -0.006 0.000 1.032 290 L CA -0.668 54.167 54.840 -0.008 0.000 0.810 290 L CB 1.339 43.395 42.059 -0.005 0.000 1.205 290 L HN 0.409 nan 8.230 nan 0.000 0.422 291 R N 2.956 123.459 120.500 0.004 0.000 2.486 291 R HA 0.076 4.416 4.340 0.001 0.000 0.303 291 R C 1.051 177.367 176.300 0.027 0.000 0.958 291 R CA 1.019 57.126 56.100 0.012 0.000 1.077 291 R CB 0.037 30.351 30.300 0.024 0.000 0.921 291 R HN 0.993 nan 8.270 nan 0.000 0.406 292 G N 2.301 111.100 108.800 -0.002 0.000 2.176 292 G HA2 -0.278 3.682 3.960 0.001 0.000 0.253 292 G HA3 -0.278 3.682 3.960 0.001 0.000 0.253 292 G C 0.606 175.465 174.900 -0.067 0.000 0.979 292 G CA 0.018 45.102 45.100 -0.027 0.000 0.641 292 G HN 0.583 nan 8.290 nan 0.000 0.530 293 L N 1.028 122.226 121.223 -0.043 0.000 2.046 293 L HA -0.073 4.268 4.340 0.001 0.000 0.208 293 L C 2.887 179.710 176.870 -0.078 0.000 1.077 293 L CA 3.011 57.825 54.840 -0.042 0.000 0.747 293 L CB -0.492 41.547 42.059 -0.034 0.000 0.896 293 L HN 0.531 nan 8.230 nan 0.000 0.432 294 D N -1.707 118.636 120.400 -0.096 0.000 2.104 294 D HA -0.212 4.428 4.640 0.001 0.000 0.194 294 D C 1.835 178.042 176.300 -0.155 0.000 0.994 294 D CA 1.952 55.888 54.000 -0.107 0.000 0.830 294 D CB -0.874 39.867 40.800 -0.097 0.000 0.959 294 D HN 0.194 nan 8.370 nan 0.000 0.452 295 T N 0.493 114.897 114.554 -0.251 0.000 2.746 295 T HA -0.088 4.263 4.350 0.001 0.000 0.267 295 T C 1.808 176.253 174.700 -0.425 0.000 1.039 295 T CA 0.907 62.740 62.100 -0.446 0.000 1.142 295 T CB -0.390 67.980 68.868 -0.831 0.000 0.866 295 T HN 0.048 nan 8.240 nan 0.000 0.444 296 L N 0.916 121.966 121.223 -0.288 0.000 2.056 296 L HA 0.115 4.455 4.340 0.001 0.000 0.207 296 L C 2.152 179.002 176.870 -0.032 0.000 1.078 296 L CA 1.400 56.203 54.840 -0.061 0.000 0.749 296 L CB -0.810 41.282 42.059 0.056 0.000 0.901 296 L HN 0.246 nan 8.230 nan 0.000 0.433 297 L N -1.142 120.049 121.223 -0.053 0.000 2.046 297 L HA -0.284 4.056 4.340 0.001 0.000 0.208 297 L C 2.589 179.439 176.870 -0.034 0.000 1.077 297 L CA 1.563 56.383 54.840 -0.033 0.000 0.747 297 L CB -0.175 41.861 42.059 -0.038 0.000 0.896 297 L HN 0.457 nan 8.230 nan 0.000 0.432 298 Q N -0.207 119.556 119.800 -0.062 0.000 2.002 298 Q HA -0.321 4.019 4.340 0.001 0.000 0.204 298 Q C 2.192 178.174 176.000 -0.030 0.000 0.988 298 Q CA 2.310 58.082 55.803 -0.052 0.000 0.843 298 Q CB -0.114 28.575 28.738 -0.082 0.000 0.908 298 Q HN 0.311 nan 8.270 nan 0.000 0.420 299 K N 0.112 120.492 120.400 -0.033 0.000 2.160 299 K HA -0.198 4.122 4.320 0.001 0.000 0.206 299 K C 1.207 177.824 176.600 0.028 0.000 1.047 299 K CA 1.408 57.706 56.287 0.018 0.000 0.930 299 K CB 0.198 32.748 32.500 0.083 0.000 0.720 299 K HN 0.108 nan 8.250 nan 0.000 0.450 300 E N -0.705 119.506 120.200 0.019 0.000 2.481 300 E HA -0.004 4.346 4.350 0.001 0.000 0.198 300 E C 1.123 177.729 176.600 0.011 0.000 1.027 300 E CA 0.930 57.343 56.400 0.021 0.000 0.900 300 E CB 1.301 31.017 29.700 0.026 0.000 0.993 300 E HN 0.572 nan 8.360 nan 0.000 0.482 301 T N -4.992 109.565 114.554 0.005 0.000 2.993 301 T HA 0.288 4.639 4.350 0.001 0.000 0.260 301 T C 1.526 176.228 174.700 0.003 0.000 0.939 301 T CA 0.785 62.887 62.100 0.004 0.000 0.886 301 T CB 0.785 69.654 68.868 0.002 0.000 1.209 301 T HN 0.110 nan 8.240 nan 0.000 0.518 302 G N 1.637 110.438 108.800 0.001 0.000 2.234 302 G HA2 -0.211 3.750 3.960 0.001 0.000 0.260 302 G HA3 -0.211 3.750 3.960 0.001 0.000 0.260 302 G C -0.106 174.793 174.900 -0.002 0.000 0.987 302 G CA 0.283 45.383 45.100 0.000 0.000 0.625 302 G HN 0.662 nan 8.290 nan 0.000 0.532 303 I N 2.336 122.905 120.570 -0.002 0.000 2.532 303 I HA 0.484 4.655 4.170 0.001 0.000 0.292 303 I C 1.268 177.381 176.117 -0.006 0.000 1.014 303 I CA -0.083 61.217 61.300 -0.000 0.000 1.340 303 I CB 1.609 39.613 38.000 0.006 0.000 1.422 303 I HN 0.323 nan 8.210 nan 0.000 0.528 304 S N 4.177 119.874 115.700 -0.004 0.000 2.573 304 S HA 0.437 4.908 4.470 0.001 0.000 0.277 304 S C -0.240 174.359 174.600 -0.003 0.000 1.346 304 S CA -0.830 57.364 58.200 -0.009 0.000 1.034 304 S CB 0.832 64.030 63.200 -0.005 0.000 0.879 304 S HN 0.348 nan 8.310 nan 0.000 0.528 305 V N 2.655 122.561 119.914 -0.015 0.000 2.444 305 V HA 0.408 4.529 4.120 0.001 0.000 0.294 305 V C -0.248 175.843 176.094 -0.005 0.000 1.022 305 V CA -0.686 61.606 62.300 -0.013 0.000 0.850 305 V CB 1.183 32.981 31.823 -0.042 0.000 0.992 305 V HN 0.834 nan 8.190 nan 0.000 0.426 306 I N 5.124 125.712 120.570 0.030 0.000 2.359 306 I HA 0.514 4.684 4.170 0.001 0.000 0.294 306 I C 0.378 176.482 176.117 -0.021 0.000 0.987 306 I CA -0.541 60.793 61.300 0.056 0.000 1.225 306 I CB 1.190 39.298 38.000 0.179 0.000 1.366 306 I HN 0.424 nan 8.210 nan 0.000 0.466 307 R N 3.631 124.107 120.500 -0.040 0.000 2.297 307 R HA 0.306 4.646 4.340 0.001 0.000 0.308 307 R C -0.018 176.227 176.300 -0.091 0.000 1.029 307 R CA -0.450 55.578 56.100 -0.120 0.000 0.929 307 R CB 1.547 31.799 30.300 -0.081 0.000 1.046 307 R HN 0.625 nan 8.270 nan 0.000 0.461 308 S N 1.336 116.872 115.700 -0.273 0.000 2.558 308 S HA -0.061 4.409 4.470 0.001 0.000 0.288 308 S C 0.944 175.549 174.600 0.008 0.000 1.318 308 S CA -0.040 58.114 58.200 -0.077 0.000 1.056 308 S CB 0.491 63.560 63.200 -0.219 0.000 0.853 308 S HN 0.588 nan 8.310 nan 0.000 0.505 309 E N 1.860 122.108 120.200 0.080 0.000 2.358 309 E HA -0.052 4.298 4.350 0.001 0.000 0.195 309 E C 0.252 176.873 176.600 0.035 0.000 1.010 309 E CA 0.598 57.027 56.400 0.048 0.000 0.856 309 E CB 0.101 29.835 29.700 0.057 0.000 0.795 309 E HN 0.810 nan 8.360 nan 0.000 0.504 310 E N -0.102 120.125 120.200 0.044 0.000 3.386 310 E HA 0.162 4.513 4.350 0.001 0.000 0.236 310 E C -2.538 174.072 176.600 0.016 0.000 1.227 310 E CA -1.785 54.635 56.400 0.033 0.000 0.970 310 E CB 1.132 30.861 29.700 0.047 0.000 1.343 310 E HN -0.104 nan 8.360 nan 0.000 0.397 311 P HA -0.085 nan 4.420 nan 0.000 0.222 311 P C 0.930 178.212 177.300 -0.030 0.000 1.147 311 P CA 0.807 63.876 63.100 -0.052 0.000 0.790 311 P CB 0.249 31.913 31.700 -0.060 0.000 0.780 312 L N -2.075 119.143 121.223 -0.008 0.000 2.556 312 L HA 0.136 4.476 4.340 0.001 0.000 0.226 312 L C 1.734 178.610 176.870 0.010 0.000 1.089 312 L CA 1.151 55.990 54.840 -0.002 0.000 0.864 312 L CB -0.605 41.457 42.059 0.004 0.000 1.067 312 L HN 0.021 nan 8.230 nan 0.000 0.477 313 T N -4.480 110.088 114.554 0.022 0.000 3.044 313 T HA 0.306 4.657 4.350 0.001 0.000 0.260 313 T C 1.660 176.371 174.700 0.018 0.000 1.019 313 T CA 0.440 62.564 62.100 0.039 0.000 0.921 313 T CB 0.575 69.486 68.868 0.072 0.000 1.053 313 T HN 0.095 nan 8.240 nan 0.000 0.533 314 A N 1.633 124.461 122.820 0.014 0.000 1.877 314 A HA 0.096 4.417 4.320 0.001 0.000 0.216 314 A C 2.377 179.947 177.584 -0.024 0.000 1.186 314 A CA 1.609 53.653 52.037 0.012 0.000 0.620 314 A CB -1.045 17.998 19.000 0.073 0.000 0.822 314 A HN 0.387 nan 8.150 nan 0.000 0.443 315 V N -0.163 119.743 119.914 -0.014 0.000 2.358 315 V HA -0.206 3.914 4.120 0.001 0.000 0.246 315 V C 3.032 179.096 176.094 -0.050 0.000 1.047 315 V CA 1.820 64.104 62.300 -0.027 0.000 1.035 315 V CB -1.280 30.534 31.823 -0.016 0.000 0.658 315 V HN 0.615 nan 8.190 nan 0.000 0.452 316 A N -0.020 122.782 122.820 -0.030 0.000 1.858 316 A HA -0.277 4.044 4.320 0.001 0.000 0.216 316 A C 2.348 179.849 177.584 -0.138 0.000 1.190 316 A CA 2.236 54.273 52.037 -0.000 0.000 0.617 316 A CB -0.572 18.480 19.000 0.088 0.000 0.827 316 A HN 0.491 nan 8.150 nan 0.000 0.443 317 K N -0.671 119.541 120.400 -0.314 0.000 2.113 317 K HA -0.162 4.158 4.320 0.001 0.000 0.208 317 K C 1.971 178.201 176.600 -0.617 0.000 1.047 317 K CA 1.534 57.276 56.287 -0.908 0.000 0.928 317 K CB -0.503 31.651 32.500 -0.577 0.000 0.716 317 K HN 0.432 nan 8.250 nan 0.000 0.446 318 G N 0.280 108.900 108.800 -0.299 0.000 2.404 318 G HA2 -0.225 3.735 3.960 0.001 0.000 0.215 318 G HA3 -0.225 3.735 3.960 0.001 0.000 0.215 318 G C 1.567 176.371 174.900 -0.160 0.000 1.174 318 G CA 0.800 45.782 45.100 -0.198 0.000 0.780 318 G HN 0.422 nan 8.290 nan 0.000 0.537 319 A N 0.616 123.367 122.820 -0.114 0.000 2.024 319 A HA 0.137 4.457 4.320 0.001 0.000 0.220 319 A C 2.565 180.128 177.584 -0.034 0.000 1.164 319 A CA 2.193 54.200 52.037 -0.049 0.000 0.643 319 A CB -0.723 18.276 19.000 -0.001 0.000 0.806 319 A HN 0.524 nan 8.150 nan 0.000 0.451 320 G N -1.837 106.921 108.800 -0.071 0.000 2.441 320 G HA2 0.024 3.984 3.960 0.001 0.000 0.212 320 G HA3 0.024 3.984 3.960 0.001 0.000 0.212 320 G C 1.384 176.247 174.900 -0.061 0.000 1.164 320 G CA 0.783 45.898 45.100 0.025 0.000 0.811 320 G HN 0.242 nan 8.290 nan 0.000 0.535 321 M N 0.912 120.385 119.600 -0.212 0.000 2.143 321 M HA -0.047 4.433 4.480 0.001 0.000 0.258 321 M C 2.569 178.807 176.300 -0.104 0.000 1.071 321 M CA 0.714 55.919 55.300 -0.159 0.000 1.088 321 M CB -1.073 31.409 32.600 -0.197 0.000 1.360 321 M HN 0.107 nan 8.290 nan 0.000 0.404 322 V N -0.106 119.741 119.914 -0.113 0.000 2.759 322 V HA -0.185 3.935 4.120 0.001 0.000 0.256 322 V C 2.101 178.109 176.094 -0.144 0.000 1.080 322 V CA 0.957 63.184 62.300 -0.121 0.000 1.101 322 V CB -0.356 31.392 31.823 -0.124 0.000 0.698 322 V HN 0.403 nan 8.190 nan 0.000 0.477 323 L N -0.470 120.680 121.223 -0.123 0.000 2.622 323 L HA -0.050 4.290 4.340 0.001 0.000 0.233 323 L C 1.798 178.606 176.870 -0.102 0.000 1.156 323 L CA 0.751 55.507 54.840 -0.141 0.000 0.866 323 L CB -0.325 41.690 42.059 -0.072 0.000 0.980 323 L HN 0.352 nan 8.230 nan 0.000 0.448 324 D N -0.178 120.174 120.400 -0.080 0.000 2.323 324 D HA -0.005 4.635 4.640 0.001 0.000 0.218 324 D C 0.815 177.071 176.300 -0.074 0.000 0.973 324 D CA 0.504 54.467 54.000 -0.062 0.000 0.890 324 D CB 0.235 41.010 40.800 -0.042 0.000 1.011 324 D HN 0.160 nan 8.370 nan 0.000 0.499 325 K N 2.549 122.897 120.400 -0.086 0.000 2.034 325 K HA 0.026 4.346 4.320 0.001 0.000 0.225 325 K C 1.642 178.184 176.600 -0.096 0.000 1.190 325 K CA -0.149 56.089 56.287 -0.083 0.000 1.152 325 K CB 0.545 32.995 32.500 -0.084 0.000 1.300 325 K HN 0.029 nan 8.250 nan 0.000 0.268 326 V N -0.459 119.406 119.914 -0.083 0.000 2.453 326 V HA -0.337 3.783 4.120 0.001 0.000 0.252 326 V C 1.618 177.671 176.094 -0.068 0.000 1.068 326 V CA 1.839 64.091 62.300 -0.081 0.000 1.070 326 V CB -0.545 31.245 31.823 -0.055 0.000 0.664 326 V HN 0.663 nan 8.190 nan 0.000 0.461 327 N N -0.587 118.080 118.700 -0.056 0.000 2.381 327 N HA -0.029 4.712 4.740 0.001 0.000 0.182 327 N C 1.587 177.068 175.510 -0.048 0.000 1.025 327 N CA 1.307 54.331 53.050 -0.044 0.000 0.888 327 N CB 0.026 38.490 38.487 -0.038 0.000 0.965 327 N HN 0.578 nan 8.380 nan 0.000 0.438 328 I N -0.199 120.332 120.570 -0.065 0.000 3.708 328 I HA 0.027 4.197 4.170 0.001 0.000 0.302 328 I C 1.553 177.617 176.117 -0.090 0.000 1.255 328 I CA 0.143 61.402 61.300 -0.067 0.000 1.362 328 I CB 0.225 38.183 38.000 -0.070 0.000 1.100 328 I HN 0.028 nan 8.210 nan 0.000 0.434 329 L N 1.678 122.825 121.223 -0.126 0.000 1.976 329 L HA -0.198 4.143 4.340 0.001 0.000 0.209 329 L C 2.487 179.282 176.870 -0.125 0.000 1.071 329 L CA 2.131 56.850 54.840 -0.202 0.000 0.746 329 L CB -0.895 41.005 42.059 -0.264 0.000 0.890 329 L HN 0.307 nan 8.230 nan 0.000 0.432 330 K N -0.603 119.754 120.400 -0.071 0.000 2.589 330 K HA -0.214 4.107 4.320 0.001 0.000 0.195 330 K C 1.594 178.198 176.600 0.007 0.000 1.040 330 K CA 1.441 57.720 56.287 -0.014 0.000 0.950 330 K CB -0.272 32.222 32.500 -0.010 0.000 0.781 330 K HN 0.374 nan 8.250 nan 0.000 0.486 331 K N 0.577 120.973 120.400 -0.008 0.000 2.367 331 K HA 0.235 4.555 4.320 0.001 0.000 0.194 331 K C 0.130 176.744 176.600 0.023 0.000 1.027 331 K CA -0.186 56.104 56.287 0.005 0.000 1.075 331 K CB 0.275 32.768 32.500 -0.011 0.000 0.845 331 K HN 0.114 nan 8.250 nan 0.000 0.529 332 L N 1.551 122.800 121.223 0.043 0.000 2.375 332 L HA 0.224 4.564 4.340 0.001 0.000 0.271 332 L C 0.395 177.360 176.870 0.158 0.000 1.107 332 L CA -0.576 54.319 54.840 0.092 0.000 0.806 332 L CB 0.978 43.100 42.059 0.105 0.000 1.146 332 L HN 0.092 nan 8.230 nan 0.000 0.447 333 Q N 0.960 120.827 119.800 0.112 0.000 2.330 333 Q HA 0.332 4.672 4.340 0.001 0.000 0.279 333 Q C -0.208 175.843 176.000 0.086 0.000 1.024 333 Q CA 0.154 56.005 55.803 0.080 0.000 0.900 333 Q CB 0.976 29.736 28.738 0.037 0.000 1.221 333 Q HN 0.804 nan 8.270 nan 0.000 0.396 334 G N 1.079 109.886 108.800 0.011 0.000 2.569 334 G HA2 0.809 4.770 3.960 0.001 0.000 0.300 334 G HA3 0.809 4.770 3.960 0.001 0.000 0.300 334 G C -1.778 173.022 174.900 -0.165 0.000 1.269 334 G CA -0.223 44.794 45.100 -0.139 0.000 0.959 334 G HN 0.783 nan 8.290 nan 0.000 0.478 335 A N -0.669 121.985 122.820 -0.277 0.000 2.547 335 A HA 1.006 5.326 4.320 0.001 0.000 0.298 335 A C -0.032 177.430 177.584 -0.204 0.000 1.062 335 A CA 0.429 52.360 52.037 -0.177 0.000 0.748 335 A CB 1.206 20.136 19.000 -0.117 0.000 1.288 335 A HN 2.667 nan 8.150 nan 0.000 0.396 336 G N 0.000 108.725 108.800 -0.124 0.000 5.446 336 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 336 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 336 G CA 0.000 45.043 45.100 -0.095 0.000 0.502 336 G HN 0.000 nan 8.290 nan 0.000 0.925