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 3iaa_1_A DATA FIRST_RESID 2 DATA SEQUENCE AHLLIVNVAS HGLILPTLTV VTELVRRGHR VSYVTAGGFA EPVRAAGATV DATA SEQUENCE VPYQSEIIDA DAAEVFGSDD LGVRPHLXYL RENVSVLRAT AEALDGDVPD DATA SEQUENCE LVLYDDFPFI AGQLLAARWR RPAVRLSAAF ASNEHYSFSQ DXVTLAGTID DATA SEQUENCE PLDLPVFRDT LRDLLAEHGL SRSVVDCWNH VEQLNLVFVP KAFQIAGDTF DATA SEQUENCE DDRFVFVGPC FDDRRFLGEW TRPADDLPVV LVSLGTTFND RPGFFRDCAR DATA SEQUENCE AFDGQPWHVV XTLGGQVDPA ALGDLPPNVE AHRWVPHVKV LEQATVCVTH DATA SEQUENCE GGXGTLXEAL YWGRPLVVVP QSFDVQPXAR RVDQLGLGAV LPGEKADGDT DATA SEQUENCE LLAAVGAVAA DPALLARVEA XRGHVRRAGG AARAADAVEA YLARA 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.722 177.584 0.230 0.000 1.274 2 A CA 0.000 52.175 52.037 0.231 0.000 0.836 2 A CB 0.000 19.113 19.000 0.188 0.000 0.831 3 H N 1.362 120.459 119.070 0.046 0.000 2.623 3 H HA 0.605 5.161 4.556 -0.000 0.000 0.299 3 H C -1.278 174.055 175.328 0.008 0.000 1.052 3 H CA -0.498 55.561 56.048 0.019 0.000 1.231 3 H CB 0.316 30.063 29.762 -0.025 0.000 1.389 3 H HN 0.518 nan 8.280 nan 0.000 0.469 4 L N 6.433 127.575 121.223 -0.136 0.000 2.275 4 L HA 0.228 4.568 4.340 -0.001 0.000 0.288 4 L C -0.403 176.303 176.870 -0.273 0.000 1.046 4 L CA -0.951 53.780 54.840 -0.181 0.000 0.805 4 L CB 1.375 43.383 42.059 -0.085 0.000 1.193 4 L HN 0.411 nan 8.230 nan 0.000 0.426 5 L N 5.340 126.409 121.223 -0.256 0.000 2.275 5 L HA 0.506 4.846 4.340 -0.001 0.000 0.288 5 L C -0.460 176.336 176.870 -0.123 0.000 1.046 5 L CA 0.135 54.869 54.840 -0.176 0.000 0.805 5 L CB 1.003 43.008 42.059 -0.091 0.000 1.193 5 L HN 0.423 nan 8.230 nan 0.000 0.426 6 I N 6.397 126.849 120.570 -0.198 0.000 2.306 6 I HA 0.250 4.420 4.170 -0.001 0.000 0.288 6 I C -0.621 175.272 176.117 -0.373 0.000 1.036 6 I CA -0.766 60.319 61.300 -0.358 0.000 1.221 6 I CB 1.437 39.019 38.000 -0.697 0.000 1.385 6 I HN 0.322 nan 8.210 nan 0.000 0.472 7 V N 6.809 126.617 119.914 -0.176 0.000 2.368 7 V HA 0.352 4.471 4.120 -0.001 0.000 0.266 7 V C 0.114 176.138 176.094 -0.117 0.000 1.045 7 V CA -0.203 62.029 62.300 -0.113 0.000 0.899 7 V CB 0.725 32.542 31.823 -0.009 0.000 1.006 7 V HN 0.686 nan 8.190 nan 0.000 0.470 8 N N 2.505 121.115 118.700 -0.150 0.000 2.774 8 N HA 0.708 5.448 4.740 -0.001 0.000 0.264 8 N C -1.066 174.383 175.510 -0.102 0.000 1.415 8 N CA -0.359 52.646 53.050 -0.074 0.000 0.815 8 N CB 2.582 41.049 38.487 -0.034 0.000 1.514 8 N HN 0.462 nan 8.380 nan 0.000 0.523 9 V N -1.886 117.968 119.914 -0.099 0.000 3.046 9 V HA 0.891 5.011 4.120 -0.001 0.000 0.316 9 V C 0.001 176.022 176.094 -0.121 0.000 1.104 9 V CA -1.098 61.127 62.300 -0.124 0.000 1.006 9 V CB 1.168 32.758 31.823 -0.388 0.000 1.058 9 V HN 0.752 nan 8.190 nan 0.000 0.440 10 A N 2.061 124.886 122.820 0.007 0.000 2.785 10 A HA 0.616 4.936 4.320 -0.001 0.000 0.294 10 A C 0.460 177.875 177.584 -0.283 0.000 1.597 10 A CA 0.750 52.690 52.037 -0.163 0.000 1.283 10 A CB -1.170 17.948 19.000 0.197 0.000 1.088 10 A HN 1.653 nan 8.150 nan 0.000 0.568 11 S N 1.182 116.511 115.700 -0.617 0.000 2.592 11 S HA 0.440 4.909 4.470 -0.001 0.000 0.275 11 S C 0.450 174.846 174.600 -0.340 0.000 1.169 11 S CA -0.582 57.449 58.200 -0.281 0.000 0.958 11 S CB 0.506 63.634 63.200 -0.119 0.000 1.095 11 S HN 0.667 nan 8.310 nan 0.000 0.471 12 H N 3.535 122.571 119.070 -0.057 0.000 2.289 12 H HA -0.011 4.544 4.556 -0.001 0.000 0.296 12 H C 2.247 177.572 175.328 -0.005 0.000 1.091 12 H CA 2.684 58.756 56.048 0.039 0.000 1.274 12 H CB -0.345 29.544 29.762 0.212 0.000 1.364 12 H HN 0.755 nan 8.280 nan 0.000 0.490 13 G N -0.016 108.885 108.800 0.168 0.000 2.475 13 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.220 13 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.220 13 G C 1.324 176.248 174.900 0.041 0.000 1.125 13 G CA 0.939 46.101 45.100 0.104 0.000 0.755 13 G HN 0.179 nan 8.290 nan 0.000 0.565 14 L N -0.134 121.094 121.223 0.008 0.000 2.307 14 L HA 0.351 4.691 4.340 -0.001 0.000 0.211 14 L C 2.535 179.382 176.870 -0.040 0.000 1.099 14 L CA 0.683 55.526 54.840 0.005 0.000 0.816 14 L CB -0.092 41.974 42.059 0.011 0.000 0.952 14 L HN 0.230 nan 8.230 nan 0.000 0.455 15 I N -2.037 118.468 120.570 -0.108 0.000 2.927 15 I HA -0.121 4.049 4.170 -0.001 0.000 0.268 15 I C 2.095 178.165 176.117 -0.079 0.000 1.153 15 I CA 0.298 61.540 61.300 -0.096 0.000 1.459 15 I CB -0.035 37.793 38.000 -0.287 0.000 1.149 15 I HN 0.075 nan 8.210 nan 0.000 0.443 16 L N 1.442 122.633 121.223 -0.053 0.000 2.013 16 L HA -0.173 4.166 4.340 -0.001 0.000 0.212 16 L C -0.318 176.491 176.870 -0.100 0.000 1.073 16 L CA 1.952 56.792 54.840 -0.000 0.000 0.753 16 L CB -2.061 40.035 42.059 0.062 0.000 0.890 16 L HN 0.218 nan 8.230 nan 0.000 0.432 17 P HA -0.080 nan 4.420 nan 0.000 0.226 17 P C 1.434 178.344 177.300 -0.650 0.000 1.153 17 P CA 1.111 63.845 63.100 -0.609 0.000 0.777 17 P CB -0.039 30.974 31.700 -1.146 0.000 0.794 18 T N -0.714 113.638 114.554 -0.336 0.000 2.985 18 T HA 0.032 4.382 4.350 -0.001 0.000 0.266 18 T C 1.656 176.377 174.700 0.034 0.000 1.076 18 T CA 0.647 62.710 62.100 -0.062 0.000 1.135 18 T CB -0.633 68.323 68.868 0.147 0.000 0.890 18 T HN 0.050 nan 8.240 nan 0.000 0.480 19 L N 1.483 122.702 121.223 -0.007 0.000 1.970 19 L HA -0.157 4.183 4.340 -0.001 0.000 0.212 19 L C 3.142 180.030 176.870 0.031 0.000 1.071 19 L CA 1.943 56.787 54.840 0.007 0.000 0.751 19 L CB -1.424 40.636 42.059 0.002 0.000 0.889 19 L HN 0.413 nan 8.230 nan 0.000 0.432 20 T N -2.886 111.684 114.554 0.026 0.000 2.881 20 T HA -0.119 4.230 4.350 -0.001 0.000 0.270 20 T C 1.762 176.487 174.700 0.042 0.000 1.068 20 T CA 1.228 63.345 62.100 0.029 0.000 1.131 20 T CB -0.740 68.130 68.868 0.003 0.000 0.871 20 T HN 0.107 nan 8.240 nan 0.000 0.479 21 V N 1.165 121.115 119.914 0.060 0.000 2.295 21 V HA -0.127 3.992 4.120 -0.001 0.000 0.246 21 V C 2.918 179.062 176.094 0.083 0.000 1.049 21 V CA 1.343 63.696 62.300 0.088 0.000 1.024 21 V CB -0.824 31.086 31.823 0.145 0.000 0.648 21 V HN 0.389 nan 8.190 nan 0.000 0.447 22 V N 0.182 120.154 119.914 0.098 0.000 2.287 22 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 22 V C 2.617 178.761 176.094 0.083 0.000 1.053 22 V CA 2.788 65.152 62.300 0.107 0.000 1.027 22 V CB -1.036 30.869 31.823 0.138 0.000 0.646 22 V HN 0.631 nan 8.190 nan 0.000 0.447 23 T N -0.632 113.960 114.554 0.063 0.000 2.803 23 T HA -0.227 4.122 4.350 -0.001 0.000 0.269 23 T C 1.853 176.587 174.700 0.058 0.000 1.052 23 T CA 1.764 63.895 62.100 0.053 0.000 1.136 23 T CB -0.169 68.723 68.868 0.041 0.000 0.864 23 T HN 0.583 nan 8.240 nan 0.000 0.467 24 E N 1.146 121.383 120.200 0.061 0.000 2.046 24 E HA 0.013 4.362 4.350 -0.001 0.000 0.190 24 E C 2.029 178.685 176.600 0.094 0.000 0.982 24 E CA 0.877 57.315 56.400 0.064 0.000 0.800 24 E CB -0.567 29.165 29.700 0.054 0.000 0.756 24 E HN 0.436 nan 8.360 nan 0.000 0.449 25 L N -0.176 121.111 121.223 0.108 0.000 2.012 25 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 25 L C 2.529 179.531 176.870 0.220 0.000 1.073 25 L CA 1.214 56.161 54.840 0.179 0.000 0.748 25 L CB -0.674 41.441 42.059 0.094 0.000 0.891 25 L HN 0.088 nan 8.230 nan 0.000 0.431 26 V N -0.186 119.811 119.914 0.139 0.000 2.287 26 V HA -0.331 3.789 4.120 -0.001 0.000 0.248 26 V C 2.718 178.853 176.094 0.068 0.000 1.053 26 V CA 2.003 64.365 62.300 0.104 0.000 1.027 26 V CB -0.683 31.186 31.823 0.078 0.000 0.646 26 V HN 0.457 nan 8.190 nan 0.000 0.447 27 R N 0.112 120.650 120.500 0.063 0.000 2.105 27 R HA -0.167 4.173 4.340 -0.001 0.000 0.239 27 R C 2.301 178.618 176.300 0.028 0.000 1.135 27 R CA 1.589 57.713 56.100 0.040 0.000 0.967 27 R CB -0.147 30.178 30.300 0.041 0.000 0.861 27 R HN 0.463 nan 8.270 nan 0.000 0.442 28 R N -1.238 119.293 120.500 0.051 0.000 2.323 28 R HA 0.056 4.395 4.340 -0.001 0.000 0.198 28 R C 1.093 177.310 176.300 -0.138 0.000 0.988 28 R CA 0.613 56.718 56.100 0.008 0.000 1.041 28 R CB 0.467 30.834 30.300 0.111 0.000 0.926 28 R HN 0.558 nan 8.270 nan 0.000 0.476 29 G N 0.272 109.013 108.800 -0.098 0.000 2.218 29 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 29 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 29 G C 0.097 174.913 174.900 -0.139 0.000 0.994 29 G CA -0.427 44.589 45.100 -0.140 0.000 0.637 29 G HN 0.360 nan 8.290 nan 0.000 0.505 30 H N 0.488 119.579 119.070 0.034 0.000 2.757 30 H HA 0.377 4.932 4.556 -0.001 0.000 0.370 30 H C 0.777 176.140 175.328 0.059 0.000 1.172 30 H CA 0.668 56.743 56.048 0.045 0.000 1.426 30 H CB 0.722 30.511 29.762 0.046 0.000 1.438 30 H HN 0.458 nan 8.280 nan 0.000 0.612 31 R N 1.312 121.942 120.500 0.216 0.000 2.343 31 R HA 0.393 4.732 4.340 -0.001 0.000 0.320 31 R C -1.606 174.841 176.300 0.246 0.000 0.956 31 R CA -0.606 55.605 56.100 0.185 0.000 0.836 31 R CB 0.638 31.020 30.300 0.137 0.000 1.151 31 R HN 0.288 nan 8.270 nan 0.000 0.450 32 V N 3.611 123.639 119.914 0.190 0.000 2.384 32 V HA 0.324 4.444 4.120 -0.001 0.000 0.287 32 V C -0.243 175.959 176.094 0.180 0.000 1.020 32 V CA -0.674 61.720 62.300 0.156 0.000 0.850 32 V CB 1.644 33.548 31.823 0.135 0.000 0.987 32 V HN 0.799 nan 8.190 nan 0.000 0.436 33 S N 4.000 119.789 115.700 0.147 0.000 2.508 33 S HA 0.641 5.110 4.470 -0.001 0.000 0.284 33 S C -0.973 173.710 174.600 0.138 0.000 1.192 33 S CA -0.342 57.961 58.200 0.171 0.000 1.070 33 S CB 0.806 64.121 63.200 0.192 0.000 1.004 33 S HN 0.685 nan 8.310 nan 0.000 0.493 34 Y N 1.964 122.295 120.300 0.053 0.000 2.346 34 Y HA 0.431 4.980 4.550 -0.000 0.000 0.332 34 Y C -0.832 175.098 175.900 0.051 0.000 0.985 34 Y CA -0.861 57.261 58.100 0.037 0.000 1.112 34 Y CB 0.938 39.410 38.460 0.021 0.000 1.170 34 Y HN 0.374 nan 8.280 nan 0.000 0.447 35 V N 5.953 125.983 119.914 0.193 0.000 2.427 35 V HA 0.387 4.506 4.120 -0.001 0.000 0.268 35 V C 0.115 176.420 176.094 0.351 0.000 1.046 35 V CA 0.432 62.851 62.300 0.198 0.000 0.970 35 V CB 0.856 32.674 31.823 -0.007 0.000 1.001 35 V HN 0.875 nan 8.190 nan 0.000 0.476 36 T N 3.618 118.417 114.554 0.409 0.000 2.739 36 T HA 0.788 5.138 4.350 -0.001 0.000 0.303 36 T C -1.298 173.610 174.700 0.345 0.000 1.389 36 T CA 0.221 62.568 62.100 0.413 0.000 1.001 36 T CB 1.895 70.894 68.868 0.219 0.000 1.436 36 T HN 0.965 nan 8.240 nan 0.000 0.500 37 A N 0.513 123.446 122.820 0.188 0.000 2.498 37 A HA 0.917 5.236 4.320 -0.001 0.000 0.298 37 A C 0.772 178.371 177.584 0.025 0.000 1.075 37 A CA 0.347 52.336 52.037 -0.080 0.000 0.714 37 A CB 0.903 19.580 19.000 -0.538 0.000 1.299 37 A HN 2.171 nan 8.150 nan 0.000 0.407 38 G N 0.643 109.405 108.800 -0.065 0.000 2.582 38 G HA2 0.044 4.004 3.960 -0.001 0.000 0.288 38 G HA3 0.044 4.004 3.960 -0.001 0.000 0.288 38 G C 1.238 176.050 174.900 -0.147 0.000 1.247 38 G CA 0.774 45.813 45.100 -0.101 0.000 0.972 38 G HN 2.175 nan 8.290 nan 0.000 0.557 39 G N -0.995 107.628 108.800 -0.294 0.000 2.625 39 G HA2 0.217 4.177 3.960 -0.001 0.000 0.214 39 G HA3 0.217 4.177 3.960 -0.001 0.000 0.214 39 G C 1.423 176.073 174.900 -0.417 0.000 1.132 39 G CA 1.396 46.281 45.100 -0.358 0.000 0.782 39 G HN 0.450 nan 8.290 nan 0.000 0.538 40 F N 1.429 121.254 119.950 -0.209 0.000 2.502 40 F HA 0.178 4.705 4.527 -0.000 0.000 0.298 40 F C 2.753 178.389 175.800 -0.275 0.000 1.111 40 F CA 0.190 58.023 58.000 -0.277 0.000 1.445 40 F CB -0.218 38.632 39.000 -0.251 0.000 1.081 40 F HN 0.215 nan 8.300 nan 0.000 0.558 41 A N -0.037 122.749 122.820 -0.058 0.000 1.940 41 A HA -0.262 4.058 4.320 -0.001 0.000 0.219 41 A C 2.255 179.755 177.584 -0.141 0.000 1.176 41 A CA 1.998 53.984 52.037 -0.085 0.000 0.631 41 A CB -0.778 18.187 19.000 -0.058 0.000 0.814 41 A HN 0.439 nan 8.150 nan 0.000 0.446 42 E N -0.398 119.699 120.200 -0.171 0.000 2.017 42 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 42 E C -0.679 175.766 176.600 -0.259 0.000 0.997 42 E CA 1.378 57.667 56.400 -0.185 0.000 0.804 42 E CB -0.546 29.049 29.700 -0.176 0.000 0.757 42 E HN 0.427 nan 8.360 nan 0.000 0.448 43 P HA -0.116 nan 4.420 nan 0.000 0.217 43 P C 1.483 178.532 177.300 -0.419 0.000 1.150 43 P CA 0.846 63.580 63.100 -0.611 0.000 0.832 43 P CB 0.075 31.118 31.700 -1.095 0.000 0.787 44 V N -0.047 119.646 119.914 -0.369 0.000 2.343 44 V HA -0.231 3.888 4.120 -0.001 0.000 0.247 44 V C 2.516 178.473 176.094 -0.228 0.000 1.051 44 V CA 1.747 63.818 62.300 -0.381 0.000 1.036 44 V CB -0.874 30.644 31.823 -0.508 0.000 0.654 44 V HN 0.069 nan 8.190 nan 0.000 0.451 45 R N -0.072 120.326 120.500 -0.169 0.000 2.081 45 R HA -0.152 4.188 4.340 -0.001 0.000 0.235 45 R C 2.456 178.703 176.300 -0.087 0.000 1.131 45 R CA 1.486 57.528 56.100 -0.098 0.000 0.960 45 R CB -0.642 29.610 30.300 -0.079 0.000 0.856 45 R HN 0.540 nan 8.270 nan 0.000 0.436 46 A N 1.418 124.166 122.820 -0.119 0.000 1.892 46 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 46 A C 2.359 179.907 177.584 -0.061 0.000 1.188 46 A CA 1.880 53.865 52.037 -0.087 0.000 0.631 46 A CB -0.755 18.177 19.000 -0.114 0.000 0.822 46 A HN 0.423 nan 8.150 nan 0.000 0.447 47 A N -2.030 120.737 122.820 -0.088 0.000 2.131 47 A HA 0.297 4.617 4.320 -0.001 0.000 0.220 47 A C 1.918 179.496 177.584 -0.010 0.000 1.158 47 A CA 1.718 53.728 52.037 -0.045 0.000 0.665 47 A CB -0.969 17.989 19.000 -0.070 0.000 0.795 47 A HN 2.087 nan 8.150 nan 0.000 0.460 48 G N -3.243 105.548 108.800 -0.016 0.000 2.143 48 G HA2 0.254 4.214 3.960 -0.001 0.000 0.175 48 G HA3 0.254 4.214 3.960 -0.001 0.000 0.175 48 G C 0.168 175.087 174.900 0.032 0.000 1.004 48 G CA 0.217 45.323 45.100 0.011 0.000 0.671 48 G HN 1.523 nan 8.290 nan 0.000 0.512 49 A N -0.437 122.399 122.820 0.027 0.000 2.288 49 A HA 0.914 5.234 4.320 -0.001 0.000 0.328 49 A C 0.347 177.968 177.584 0.061 0.000 1.123 49 A CA 0.221 52.303 52.037 0.074 0.000 0.861 49 A CB 1.061 20.141 19.000 0.134 0.000 1.272 49 A HN 0.689 nan 8.150 nan 0.000 0.490 50 T N 1.133 115.746 114.554 0.098 0.000 2.767 50 T HA 0.432 4.782 4.350 -0.001 0.000 0.288 50 T C -0.184 174.581 174.700 0.109 0.000 0.963 50 T CA -0.211 61.939 62.100 0.084 0.000 1.019 50 T CB 0.865 69.784 68.868 0.085 0.000 0.923 50 T HN 0.395 nan 8.240 nan 0.000 0.468 51 V N 4.625 124.585 119.914 0.076 0.000 2.488 51 V HA 0.167 4.287 4.120 -0.001 0.000 0.277 51 V C 0.234 176.395 176.094 0.112 0.000 1.046 51 V CA -0.408 61.947 62.300 0.093 0.000 0.986 51 V CB 1.102 32.950 31.823 0.043 0.000 0.989 51 V HN 0.674 nan 8.190 nan 0.000 0.475 52 V N 8.719 128.726 119.914 0.154 0.000 2.294 52 V HA 0.296 4.416 4.120 -0.001 0.000 0.272 52 V C -2.233 173.971 176.094 0.184 0.000 1.027 52 V CA -1.777 60.614 62.300 0.151 0.000 0.823 52 V CB 1.246 33.163 31.823 0.156 0.000 1.030 52 V HN 0.757 nan 8.190 nan 0.000 0.457 53 P HA 0.323 nan 4.420 nan 0.000 0.275 53 P C -1.264 176.164 177.300 0.213 0.000 1.227 53 P CA -0.013 63.175 63.100 0.146 0.000 0.781 53 P CB 0.386 32.124 31.700 0.063 0.000 0.906 54 Y N -0.662 119.667 120.300 0.049 0.000 2.553 54 Y HA 0.534 5.084 4.550 -0.000 0.000 0.347 54 Y C -0.758 175.163 175.900 0.036 0.000 1.019 54 Y CA -1.474 56.650 58.100 0.040 0.000 1.032 54 Y CB 1.017 39.500 38.460 0.038 0.000 1.284 54 Y HN 0.127 nan 8.280 nan 0.000 0.466 55 Q N 2.619 122.371 119.800 -0.081 0.000 2.307 55 Q HA 0.261 4.601 4.340 -0.001 0.000 0.259 55 Q C -0.515 175.354 176.000 -0.218 0.000 0.998 55 Q CA 0.022 55.724 55.803 -0.167 0.000 0.923 55 Q CB 1.446 30.166 28.738 -0.028 0.000 1.196 55 Q HN 0.725 nan 8.270 nan 0.000 0.416 56 S N 1.898 117.371 115.700 -0.378 0.000 2.509 56 S HA 0.233 4.703 4.470 -0.001 0.000 0.297 56 S C 0.650 175.231 174.600 -0.032 0.000 1.118 56 S CA -0.491 57.577 58.200 -0.220 0.000 1.074 56 S CB 1.375 64.351 63.200 -0.374 0.000 1.038 56 S HN 0.666 nan 8.310 nan 0.000 0.498 57 E N 2.589 122.830 120.200 0.068 0.000 2.251 57 E HA 0.072 4.422 4.350 -0.001 0.000 0.194 57 E C 1.718 178.371 176.600 0.089 0.000 0.964 57 E CA 0.679 57.125 56.400 0.077 0.000 0.868 57 E CB -0.003 29.760 29.700 0.106 0.000 0.828 57 E HN 0.874 nan 8.360 nan 0.000 0.481 58 I N -0.890 119.747 120.570 0.112 0.000 2.761 58 I HA -0.035 4.134 4.170 -0.001 0.000 0.261 58 I C 2.220 178.396 176.117 0.099 0.000 1.198 58 I CA 0.526 61.895 61.300 0.114 0.000 1.482 58 I CB -0.124 37.939 38.000 0.105 0.000 1.100 58 I HN 0.070 nan 8.210 nan 0.000 0.445 59 I N 1.592 122.216 120.570 0.091 0.000 2.286 59 I HA -0.229 3.941 4.170 -0.001 0.000 0.248 59 I C 0.551 176.728 176.117 0.099 0.000 1.115 59 I CA 1.756 63.132 61.300 0.125 0.000 1.392 59 I CB 0.008 38.069 38.000 0.102 0.000 1.065 59 I HN 0.284 nan 8.210 nan 0.000 0.418 60 D N 1.576 122.016 120.400 0.066 0.000 2.892 60 D HA 0.388 5.027 4.640 -0.001 0.000 0.291 60 D C -0.454 175.881 176.300 0.058 0.000 1.341 60 D CA 0.112 54.145 54.000 0.055 0.000 0.844 60 D CB 0.759 41.578 40.800 0.031 0.000 1.093 60 D HN 0.262 nan 8.370 nan 0.000 0.480 61 A N 0.219 123.082 122.820 0.071 0.000 2.355 61 A HA 0.511 4.831 4.320 -0.001 0.000 0.324 61 A C -0.697 176.924 177.584 0.063 0.000 1.117 61 A CA -0.729 51.350 52.037 0.071 0.000 0.785 61 A CB 1.694 20.747 19.000 0.088 0.000 1.254 61 A HN -0.006 nan 8.150 nan 0.000 0.453 62 D N 1.680 122.116 120.400 0.060 0.000 2.396 62 D HA 0.537 5.177 4.640 -0.001 0.000 0.225 62 D C 1.131 177.469 176.300 0.063 0.000 1.121 62 D CA 0.482 54.509 54.000 0.045 0.000 0.853 62 D CB 1.200 42.033 40.800 0.055 0.000 1.043 62 D HN 0.575 nan 8.370 nan 0.000 0.500 63 A N 3.870 126.679 122.820 -0.018 0.000 1.903 63 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 63 A C 2.193 179.957 177.584 0.299 0.000 1.191 63 A CA 2.085 54.140 52.037 0.029 0.000 0.638 63 A CB -0.866 17.779 19.000 -0.591 0.000 0.823 63 A HN 0.657 nan 8.150 nan 0.000 0.451 64 A N -0.677 122.272 122.820 0.214 0.000 1.908 64 A HA -0.214 4.106 4.320 -0.001 0.000 0.218 64 A C 2.098 179.868 177.584 0.309 0.000 1.181 64 A CA 1.929 54.208 52.037 0.403 0.000 0.627 64 A CB -0.542 18.639 19.000 0.302 0.000 0.818 64 A HN 0.716 nan 8.150 nan 0.000 0.445 65 E N -0.277 120.045 120.200 0.204 0.000 2.047 65 E HA -0.118 4.232 4.350 -0.001 0.000 0.191 65 E C 1.940 178.632 176.600 0.153 0.000 0.987 65 E CA 1.352 57.844 56.400 0.153 0.000 0.799 65 E CB -0.148 29.614 29.700 0.103 0.000 0.752 65 E HN 0.270 nan 8.360 nan 0.000 0.449 66 V N 0.588 120.594 119.914 0.153 0.000 2.324 66 V HA -0.255 3.865 4.120 -0.001 0.000 0.250 66 V C 2.027 178.128 176.094 0.012 0.000 1.060 66 V CA 1.847 64.188 62.300 0.068 0.000 1.042 66 V CB -0.532 31.320 31.823 0.049 0.000 0.650 66 V HN 0.305 nan 8.190 nan 0.000 0.450 67 F N 0.462 120.503 119.950 0.153 0.000 2.615 67 F HA 0.134 4.661 4.527 -0.001 0.000 0.297 67 F C 2.187 178.043 175.800 0.094 0.000 1.124 67 F CA 1.018 59.102 58.000 0.141 0.000 1.451 67 F CB -0.510 38.650 39.000 0.267 0.000 1.103 67 F HN 0.200 nan 8.300 nan 0.000 0.569 68 G N -1.285 107.664 108.800 0.248 0.000 2.551 68 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.216 68 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.216 68 G C 1.767 176.723 174.900 0.093 0.000 1.137 68 G CA 0.729 45.923 45.100 0.157 0.000 0.798 68 G HN 0.255 nan 8.290 nan 0.000 0.536 69 S N 0.803 116.545 115.700 0.070 0.000 2.377 69 S HA -0.107 4.362 4.470 -0.001 0.000 0.224 69 S C 1.034 175.651 174.600 0.028 0.000 1.042 69 S CA 1.631 59.854 58.200 0.039 0.000 1.086 69 S CB -0.244 62.967 63.200 0.017 0.000 0.995 69 S HN 0.800 nan 8.310 nan 0.000 0.428 70 D N -0.256 120.154 120.400 0.016 0.000 2.566 70 D HA 0.273 4.913 4.640 -0.001 0.000 0.254 70 D C -0.754 175.554 176.300 0.013 0.000 1.090 70 D CA -0.472 53.535 54.000 0.012 0.000 1.034 70 D CB 1.095 41.897 40.800 0.004 0.000 1.434 70 D HN 0.169 nan 8.370 nan 0.000 0.509 71 D N -0.502 119.904 120.400 0.010 0.000 2.348 71 D HA -0.015 4.625 4.640 -0.001 0.000 0.211 71 D C 1.631 177.931 176.300 0.000 0.000 0.998 71 D CA 0.313 54.318 54.000 0.009 0.000 0.873 71 D CB 0.038 40.843 40.800 0.007 0.000 0.925 71 D HN 0.322 nan 8.370 nan 0.000 0.524 72 L N -0.608 120.613 121.223 -0.003 0.000 2.463 72 L HA 0.321 4.661 4.340 -0.001 0.000 0.219 72 L C 1.365 178.229 176.870 -0.009 0.000 1.088 72 L CA 0.496 55.335 54.840 -0.001 0.000 0.849 72 L CB 0.001 42.065 42.059 0.008 0.000 1.012 72 L HN 0.286 nan 8.230 nan 0.000 0.468 73 G N 0.066 108.833 108.800 -0.055 0.000 2.165 73 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.226 73 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.226 73 G C 0.616 175.395 174.900 -0.201 0.000 1.035 73 G CA 0.247 45.228 45.100 -0.199 0.000 0.744 73 G HN 0.065 nan 8.290 nan 0.000 0.501 74 V N 0.271 120.164 119.914 -0.035 0.000 2.358 74 V HA -0.151 3.969 4.120 -0.001 0.000 0.246 74 V C 2.829 178.933 176.094 0.016 0.000 1.047 74 V CA 2.726 65.056 62.300 0.050 0.000 1.035 74 V CB -0.446 31.405 31.823 0.048 0.000 0.658 74 V HN 0.602 nan 8.190 nan 0.000 0.452 75 R N 0.468 120.937 120.500 -0.051 0.000 2.081 75 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 75 R C -0.024 176.221 176.300 -0.092 0.000 1.131 75 R CA 1.759 57.831 56.100 -0.046 0.000 0.960 75 R CB -1.213 29.056 30.300 -0.052 0.000 0.856 75 R HN 0.451 nan 8.270 nan 0.000 0.436 76 P HA -0.091 nan 4.420 nan 0.000 0.215 76 P C 0.489 177.744 177.300 -0.074 0.000 1.157 76 P CA 1.462 64.342 63.100 -0.366 0.000 0.863 76 P CB -0.120 31.003 31.700 -0.962 0.000 0.787 77 H N -1.222 117.844 119.070 -0.007 0.000 2.319 77 H HA -0.052 4.504 4.556 -0.001 0.000 0.299 77 H C 1.199 176.755 175.328 0.380 0.000 1.092 77 H CA 0.125 56.242 56.048 0.115 0.000 1.302 77 H CB -0.616 29.087 29.762 -0.097 0.000 1.373 77 H HN 0.043 nan 8.280 nan 0.000 0.497 81 L N 1.041 122.403 121.223 0.232 0.000 2.027 81 L HA -0.167 4.173 4.340 -0.001 0.000 0.206 81 L C 2.276 179.123 176.870 -0.038 0.000 1.074 81 L CA 1.887 56.723 54.840 -0.006 0.000 0.745 81 L CB -0.411 41.596 42.059 -0.087 0.000 0.898 81 L HN 0.251 nan 8.230 nan 0.000 0.433 82 R N -0.271 120.255 120.500 0.044 0.000 2.096 82 R HA -0.260 4.080 4.340 -0.001 0.000 0.240 82 R C 2.155 178.493 176.300 0.065 0.000 1.139 82 R CA 1.843 57.972 56.100 0.048 0.000 0.952 82 R CB -0.321 30.028 30.300 0.081 0.000 0.854 82 R HN 0.265 nan 8.270 nan 0.000 0.436 83 E N 0.881 121.152 120.200 0.118 0.000 2.058 83 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 83 E C 1.645 178.281 176.600 0.060 0.000 0.997 83 E CA 1.498 58.008 56.400 0.183 0.000 0.801 83 E CB -0.221 29.703 29.700 0.373 0.000 0.746 83 E HN 0.263 nan 8.360 nan 0.000 0.450 84 N N -0.445 118.209 118.700 -0.076 0.000 2.036 84 N HA -0.173 4.567 4.740 -0.001 0.000 0.195 84 N C 1.860 177.272 175.510 -0.164 0.000 1.037 84 N CA 1.854 54.788 53.050 -0.193 0.000 0.855 84 N CB -0.135 38.142 38.487 -0.349 0.000 1.033 84 N HN 0.087 nan 8.380 nan 0.000 0.423 85 V N 0.689 120.530 119.914 -0.122 0.000 2.343 85 V HA -0.181 3.939 4.120 -0.001 0.000 0.247 85 V C 2.532 178.601 176.094 -0.041 0.000 1.051 85 V CA 1.565 63.806 62.300 -0.098 0.000 1.036 85 V CB -0.556 31.225 31.823 -0.069 0.000 0.654 85 V HN 0.331 nan 8.190 nan 0.000 0.451 86 S N -0.544 115.167 115.700 0.017 0.000 2.383 86 S HA -0.160 4.309 4.470 -0.001 0.000 0.229 86 S C 1.920 176.570 174.600 0.084 0.000 1.030 86 S CA 1.823 60.078 58.200 0.092 0.000 1.002 86 S CB -0.137 63.174 63.200 0.185 0.000 0.829 86 S HN 0.342 nan 8.310 nan 0.000 0.467 87 V N 1.792 121.676 119.914 -0.050 0.000 2.407 87 V HA -0.045 4.075 4.120 -0.001 0.000 0.245 87 V C 2.344 178.355 176.094 -0.139 0.000 1.041 87 V CA 1.494 63.662 62.300 -0.219 0.000 1.040 87 V CB -0.635 30.938 31.823 -0.415 0.000 0.671 87 V HN 0.494 nan 8.190 nan 0.000 0.455 88 L N 0.636 121.770 121.223 -0.148 0.000 1.989 88 L HA -0.163 4.176 4.340 -0.001 0.000 0.211 88 L C 2.660 179.485 176.870 -0.075 0.000 1.071 88 L CA 2.050 56.791 54.840 -0.164 0.000 0.749 88 L CB -0.855 41.067 42.059 -0.228 0.000 0.890 88 L HN 0.176 nan 8.230 nan 0.000 0.431 89 R N 0.264 120.750 120.500 -0.023 0.000 2.073 89 R HA -0.059 4.280 4.340 -0.001 0.000 0.234 89 R C 2.245 178.576 176.300 0.052 0.000 1.134 89 R CA 1.538 57.654 56.100 0.026 0.000 0.952 89 R CB -1.723 28.598 30.300 0.036 0.000 0.850 89 R HN 0.555 nan 8.270 nan 0.000 0.433 90 A N 0.701 123.562 122.820 0.067 0.000 1.877 90 A HA -0.141 4.179 4.320 -0.001 0.000 0.216 90 A C 2.305 179.955 177.584 0.110 0.000 1.186 90 A CA 2.200 54.298 52.037 0.102 0.000 0.620 90 A CB -0.951 18.144 19.000 0.158 0.000 0.822 90 A HN 0.376 nan 8.150 nan 0.000 0.443 91 T N 0.440 115.049 114.554 0.092 0.000 2.746 91 T HA 0.002 4.352 4.350 -0.001 0.000 0.267 91 T C 2.222 177.061 174.700 0.232 0.000 1.039 91 T CA 1.572 63.760 62.100 0.146 0.000 1.142 91 T CB -0.523 68.406 68.868 0.101 0.000 0.866 91 T HN 0.596 nan 8.240 nan 0.000 0.444 92 A N 1.797 124.708 122.820 0.151 0.000 1.883 92 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 92 A C 2.331 180.048 177.584 0.222 0.000 1.186 92 A CA 1.740 53.899 52.037 0.205 0.000 0.624 92 A CB -0.633 18.402 19.000 0.058 0.000 0.822 92 A HN 0.445 nan 8.150 nan 0.000 0.444 93 E N 0.366 120.651 120.200 0.142 0.000 2.070 93 E HA -0.212 4.138 4.350 -0.001 0.000 0.197 93 E C 2.133 178.807 176.600 0.123 0.000 1.004 93 E CA 1.642 58.111 56.400 0.115 0.000 0.805 93 E CB -0.321 29.431 29.700 0.086 0.000 0.744 93 E HN 0.486 nan 8.360 nan 0.000 0.451 94 A N 0.345 123.249 122.820 0.139 0.000 1.930 94 A HA -0.033 4.287 4.320 -0.001 0.000 0.215 94 A C 1.961 179.613 177.584 0.114 0.000 1.176 94 A CA 0.770 52.877 52.037 0.117 0.000 0.632 94 A CB 0.038 19.110 19.000 0.121 0.000 0.819 94 A HN 0.274 nan 8.150 nan 0.000 0.445 95 L N -0.420 120.907 121.223 0.174 0.000 2.693 95 L HA 0.126 4.466 4.340 -0.001 0.000 0.235 95 L C 0.872 177.730 176.870 -0.020 0.000 1.127 95 L CA 0.572 55.448 54.840 0.060 0.000 0.914 95 L CB -0.777 41.290 42.059 0.013 0.000 1.193 95 L HN 0.216 nan 8.230 nan 0.000 0.502 96 D N 1.145 121.668 120.400 0.204 0.000 2.158 96 D HA -0.140 4.499 4.640 -0.001 0.000 0.197 96 D C 1.998 178.313 176.300 0.027 0.000 0.995 96 D CA 1.592 55.724 54.000 0.220 0.000 0.846 96 D CB 0.182 41.124 40.800 0.237 0.000 0.941 96 D HN 0.343 nan 8.370 nan 0.000 0.456 97 G N -1.071 107.730 108.800 0.002 0.000 3.042 97 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.212 97 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.212 97 G C 0.362 175.214 174.900 -0.080 0.000 1.166 97 G CA -0.054 45.027 45.100 -0.030 0.000 0.767 97 G HN 0.036 nan 8.290 nan 0.000 0.546 98 D N 0.664 120.987 120.400 -0.128 0.000 2.997 98 D HA 0.136 4.775 4.640 -0.001 0.000 0.362 98 D C 0.268 176.435 176.300 -0.223 0.000 1.298 98 D CA -0.450 53.457 54.000 -0.156 0.000 0.756 98 D CB 0.419 41.140 40.800 -0.131 0.000 1.216 98 D HN -0.124 nan 8.370 nan 0.000 0.496 99 V N 2.510 122.192 119.914 -0.386 0.000 2.681 99 V HA 0.040 4.160 4.120 -0.001 0.000 0.306 99 V C -1.712 174.192 176.094 -0.317 0.000 1.077 99 V CA -0.200 61.687 62.300 -0.688 0.000 1.224 99 V CB 0.222 31.689 31.823 -0.593 0.000 0.879 99 V HN 0.323 nan 8.190 nan 0.000 0.494 100 P HA 0.243 nan 4.420 nan 0.000 0.276 100 P C 0.288 177.536 177.300 -0.087 0.000 1.244 100 P CA -0.443 62.540 63.100 -0.195 0.000 0.801 100 P CB 0.693 32.181 31.700 -0.353 0.000 1.006 101 D N 0.046 120.430 120.400 -0.027 0.000 2.277 101 D HA 0.054 4.694 4.640 -0.001 0.000 0.208 101 D C 0.252 176.563 176.300 0.018 0.000 0.962 101 D CA 1.242 55.245 54.000 0.006 0.000 0.865 101 D CB 0.257 41.073 40.800 0.027 0.000 0.939 101 D HN 0.105 nan 8.370 nan 0.000 0.510 102 L N 0.288 121.514 121.223 0.006 0.000 2.526 102 L HA 0.264 4.604 4.340 -0.001 0.000 0.263 102 L C -1.519 175.380 176.870 0.048 0.000 0.943 102 L CA -0.666 54.203 54.840 0.049 0.000 0.859 102 L CB 2.538 44.620 42.059 0.039 0.000 1.313 102 L HN -0.379 nan 8.230 nan 0.000 0.406 103 V N 5.834 125.820 119.914 0.120 0.000 2.334 103 V HA 0.461 4.581 4.120 -0.001 0.000 0.281 103 V C -0.571 175.589 176.094 0.111 0.000 1.016 103 V CA -0.415 61.971 62.300 0.144 0.000 0.832 103 V CB 1.286 33.249 31.823 0.234 0.000 0.999 103 V HN 0.501 nan 8.190 nan 0.000 0.439 104 L N 7.276 128.512 121.223 0.022 0.000 2.272 104 L HA 0.591 4.930 4.340 -0.001 0.000 0.289 104 L C -0.436 176.425 176.870 -0.016 0.000 1.032 104 L CA -0.246 54.550 54.840 -0.073 0.000 0.810 104 L CB 0.677 42.666 42.059 -0.117 0.000 1.205 104 L HN 0.699 nan 8.230 nan 0.000 0.422 105 Y N -0.517 119.754 120.300 -0.049 0.000 2.462 105 Y HA 0.625 5.175 4.550 -0.000 0.000 0.346 105 Y C -0.485 175.425 175.900 0.016 0.000 0.976 105 Y CA -1.371 56.710 58.100 -0.031 0.000 1.044 105 Y CB 1.143 39.597 38.460 -0.010 0.000 1.230 105 Y HN 0.603 nan 8.280 nan 0.000 0.455 106 D N 1.951 122.467 120.400 0.194 0.000 2.344 106 D HA -0.009 4.630 4.640 -0.001 0.000 0.244 106 D C 0.265 176.774 176.300 0.348 0.000 1.134 106 D CA 0.080 54.197 54.000 0.195 0.000 0.930 106 D CB 1.270 42.175 40.800 0.174 0.000 1.175 106 D HN 0.839 nan 8.370 nan 0.000 0.437 107 D N 1.769 122.341 120.400 0.286 0.000 2.126 107 D HA -0.233 4.407 4.640 -0.001 0.000 0.190 107 D C 1.602 178.164 176.300 0.437 0.000 1.001 107 D CA 1.150 55.324 54.000 0.290 0.000 0.841 107 D CB -0.404 40.529 40.800 0.221 0.000 0.949 107 D HN 0.453 nan 8.370 nan 0.000 0.446 108 F N 1.995 122.138 119.950 0.321 0.000 2.025 108 F HA -0.131 4.396 4.527 -0.001 0.000 0.297 108 F C -1.099 174.858 175.800 0.262 0.000 1.132 108 F CA 1.232 59.461 58.000 0.381 0.000 1.191 108 F CB -1.219 37.950 39.000 0.282 0.000 0.963 108 F HN -0.010 nan 8.300 nan 0.000 0.481 109 P HA -0.003 nan 4.420 nan 0.000 0.243 109 P C 0.834 178.143 177.300 0.015 0.000 1.668 109 P CA 0.183 63.375 63.100 0.154 0.000 0.898 109 P CB -1.373 30.374 31.700 0.079 0.000 1.637 110 F N -1.038 118.892 119.950 -0.034 0.000 2.293 110 F HA -0.041 4.486 4.527 -0.000 0.000 0.300 110 F C 1.752 177.308 175.800 -0.408 0.000 1.086 110 F CA 0.582 58.467 58.000 -0.191 0.000 1.375 110 F CB -1.307 37.740 39.000 0.078 0.000 1.045 110 F HN -0.210 nan 8.300 nan 0.000 0.516 111 I N 1.185 121.047 120.570 -1.181 0.000 2.202 111 I HA -0.199 3.971 4.170 -0.001 0.000 0.242 111 I C 2.871 178.609 176.117 -0.632 0.000 1.091 111 I CA 1.255 61.973 61.300 -0.970 0.000 1.368 111 I CB -0.913 36.632 38.000 -0.758 0.000 1.058 111 I HN 0.293 nan 8.210 nan 0.000 0.410 112 A N 0.872 123.384 122.820 -0.513 0.000 1.972 112 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 112 A C 2.399 179.703 177.584 -0.467 0.000 1.169 112 A CA 1.823 53.602 52.037 -0.431 0.000 0.635 112 A CB -1.376 17.431 19.000 -0.322 0.000 0.810 112 A HN 0.478 nan 8.150 nan 0.000 0.446 113 G N -0.812 107.632 108.800 -0.594 0.000 2.433 113 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.216 113 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.216 113 G C 1.614 176.092 174.900 -0.703 0.000 1.186 113 G CA 0.988 45.608 45.100 -0.800 0.000 0.779 113 G HN 0.624 nan 8.290 nan 0.000 0.543 114 Q N -0.224 119.140 119.800 -0.727 0.000 2.084 114 Q HA 0.039 4.378 4.340 -0.001 0.000 0.202 114 Q C 2.715 178.500 176.000 -0.358 0.000 0.978 114 Q CA 0.912 56.446 55.803 -0.448 0.000 0.844 114 Q CB -0.258 28.229 28.738 -0.420 0.000 0.898 114 Q HN 0.452 nan 8.270 nan 0.000 0.426 115 L N 0.260 121.235 121.223 -0.412 0.000 2.093 115 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 115 L C 2.312 178.939 176.870 -0.404 0.000 1.085 115 L CA 0.857 55.463 54.840 -0.389 0.000 0.755 115 L CB -0.482 41.267 42.059 -0.516 0.000 0.904 115 L HN 0.256 nan 8.230 nan 0.000 0.435 116 L N -0.142 120.794 121.223 -0.478 0.000 2.056 116 L HA -0.157 4.183 4.340 -0.001 0.000 0.207 116 L C 2.913 179.497 176.870 -0.477 0.000 1.078 116 L CA 1.070 55.494 54.840 -0.693 0.000 0.749 116 L CB -0.688 40.977 42.059 -0.656 0.000 0.901 116 L HN 0.239 nan 8.230 nan 0.000 0.433 117 A N -0.021 122.674 122.820 -0.207 0.000 1.933 117 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 117 A C 2.488 180.056 177.584 -0.027 0.000 1.175 117 A CA 1.703 53.732 52.037 -0.014 0.000 0.628 117 A CB -0.523 18.504 19.000 0.045 0.000 0.814 117 A HN 0.407 nan 8.150 nan 0.000 0.444 118 A N -0.095 122.657 122.820 -0.114 0.000 1.874 118 A HA -0.064 4.256 4.320 -0.001 0.000 0.214 118 A C 2.214 179.756 177.584 -0.071 0.000 1.189 118 A CA 1.492 53.482 52.037 -0.079 0.000 0.615 118 A CB -0.541 18.394 19.000 -0.108 0.000 0.830 118 A HN 0.577 nan 8.150 nan 0.000 0.443 119 R N -1.262 119.136 120.500 -0.171 0.000 2.112 119 R HA -0.215 4.125 4.340 -0.001 0.000 0.242 119 R C 1.615 177.902 176.300 -0.021 0.000 1.137 119 R CA 2.321 58.312 56.100 -0.181 0.000 0.944 119 R CB -0.384 29.656 30.300 -0.433 0.000 0.857 119 R HN 0.636 nan 8.270 nan 0.000 0.435 120 W N 0.433 121.738 121.300 0.009 0.000 3.139 120 W HA 0.232 4.892 4.660 -0.001 0.000 0.260 120 W C 0.241 176.766 176.519 0.010 0.000 1.312 120 W CA -0.054 57.298 57.345 0.011 0.000 1.606 120 W CB -0.237 29.231 29.460 0.014 0.000 1.118 120 W HN 0.257 nan 8.180 nan 0.000 0.675 121 R N 0.724 121.335 120.500 0.186 0.000 3.336 121 R HA -0.175 4.164 4.340 -0.001 0.000 0.260 121 R C -0.050 176.325 176.300 0.125 0.000 1.032 121 R CA 0.529 56.699 56.100 0.118 0.000 0.693 121 R CB -1.632 28.721 30.300 0.090 0.000 1.134 121 R HN -0.065 nan 8.270 nan 0.000 0.433 122 R N 0.131 120.726 120.500 0.159 0.000 2.787 122 R HA 0.486 4.825 4.340 -0.001 0.000 0.271 122 R C -2.185 174.188 176.300 0.122 0.000 0.993 122 R CA -2.468 53.717 56.100 0.142 0.000 0.993 122 R CB 0.677 31.100 30.300 0.206 0.000 1.155 122 R HN -0.082 nan 8.270 nan 0.000 0.486 123 P HA 0.234 nan 4.420 nan 0.000 0.272 123 P C -1.128 176.308 177.300 0.226 0.000 1.223 123 P CA -0.176 62.996 63.100 0.120 0.000 0.784 123 P CB 0.730 32.416 31.700 -0.023 0.000 0.923 124 A N 1.446 124.446 122.820 0.301 0.000 2.423 124 A HA 0.744 5.063 4.320 -0.001 0.000 0.304 124 A C -1.293 176.341 177.584 0.082 0.000 1.104 124 A CA -0.608 51.577 52.037 0.246 0.000 0.757 124 A CB 1.386 20.590 19.000 0.339 0.000 1.313 124 A HN 0.310 nan 8.150 nan 0.000 0.423 125 V N 1.013 120.847 119.914 -0.134 0.000 2.686 125 V HA 0.541 4.661 4.120 -0.001 0.000 0.306 125 V C -0.063 175.650 176.094 -0.634 0.000 1.065 125 V CA -0.622 61.441 62.300 -0.396 0.000 0.894 125 V CB 1.767 33.373 31.823 -0.362 0.000 1.004 125 V HN 1.000 nan 8.190 nan 0.000 0.424 126 R N 3.623 123.724 120.500 -0.665 0.000 2.486 126 R HA 0.793 5.133 4.340 -0.001 0.000 0.286 126 R C -1.445 174.596 176.300 -0.431 0.000 0.999 126 R CA -0.549 55.108 56.100 -0.738 0.000 0.993 126 R CB 1.114 31.107 30.300 -0.512 0.000 1.084 126 R HN 0.706 nan 8.270 nan 0.000 0.487 127 L N 2.331 123.384 121.223 -0.283 0.000 2.341 127 L HA 0.456 4.796 4.340 -0.001 0.000 0.278 127 L C -0.694 176.166 176.870 -0.016 0.000 1.005 127 L CA -0.734 54.025 54.840 -0.134 0.000 0.818 127 L CB 2.271 44.346 42.059 0.026 0.000 1.259 127 L HN 0.607 nan 8.230 nan 0.000 0.418 128 S N 1.261 116.932 115.700 -0.049 0.000 2.640 128 S HA 0.451 4.921 4.470 -0.001 0.000 0.320 128 S C 0.642 175.341 174.600 0.164 0.000 1.097 128 S CA -0.434 57.791 58.200 0.041 0.000 1.092 128 S CB 1.846 65.029 63.200 -0.028 0.000 0.988 128 S HN 0.754 nan 8.310 nan 0.000 0.470 129 A N 2.196 125.158 122.820 0.236 0.000 2.178 129 A HA 0.642 4.961 4.320 -0.001 0.000 0.211 129 A C 1.110 178.745 177.584 0.084 0.000 1.157 129 A CA 0.742 52.929 52.037 0.250 0.000 0.780 129 A CB -0.055 19.047 19.000 0.169 0.000 0.828 129 A HN 0.800 nan 8.150 nan 0.000 0.476 130 A N -0.960 121.853 122.820 -0.011 0.000 3.521 130 A HA 0.745 5.064 4.320 -0.001 0.000 0.181 130 A C -0.480 176.855 177.584 -0.415 0.000 1.386 130 A CA -0.717 51.151 52.037 -0.283 0.000 0.873 130 A CB -0.273 18.533 19.000 -0.323 0.000 1.634 130 A HN 0.154 nan 8.150 nan 0.000 0.551 131 F N 0.250 119.828 119.950 -0.619 0.000 2.553 131 F HA 0.433 4.960 4.527 -0.001 0.000 0.356 131 F C 1.167 176.835 175.800 -0.220 0.000 1.142 131 F CA 0.668 58.429 58.000 -0.398 0.000 1.322 131 F CB 0.374 39.134 39.000 -0.400 0.000 1.126 131 F HN 0.585 nan 8.300 nan 0.000 0.599 132 A N 1.671 124.571 122.820 0.132 0.000 2.271 132 A HA 0.705 5.025 4.320 -0.001 0.000 0.288 132 A C -0.378 177.472 177.584 0.444 0.000 1.094 132 A CA -0.449 51.692 52.037 0.174 0.000 0.828 132 A CB 0.387 19.383 19.000 -0.007 0.000 1.091 132 A HN 0.654 nan 8.150 nan 0.000 0.493 133 S N 0.411 116.387 115.700 0.460 0.000 2.536 133 S HA 0.673 5.142 4.470 -0.001 0.000 0.298 133 S C -0.365 174.408 174.600 0.287 0.000 1.083 133 S CA -0.747 57.675 58.200 0.369 0.000 0.995 133 S CB 1.525 64.824 63.200 0.165 0.000 1.058 133 S HN 0.972 nan 8.310 nan 0.000 0.488 134 N N 0.927 119.656 118.700 0.049 0.000 3.574 134 N HA 0.321 5.060 4.740 -0.001 0.000 0.340 134 N C -0.055 175.420 175.510 -0.057 0.000 1.650 134 N CA -0.721 52.289 53.050 -0.066 0.000 0.762 134 N CB -0.200 38.019 38.487 -0.446 0.000 2.206 134 N HN 0.286 nan 8.380 nan 0.000 0.621 135 E N -1.505 118.658 120.200 -0.062 0.000 2.274 135 E HA -0.060 4.290 4.350 -0.001 0.000 0.194 135 E C 1.074 177.672 176.600 -0.003 0.000 0.996 135 E CA 1.142 57.531 56.400 -0.019 0.000 0.840 135 E CB -0.307 29.391 29.700 -0.005 0.000 0.772 135 E HN 0.668 nan 8.360 nan 0.000 0.491 136 H N -1.307 117.688 119.070 -0.125 0.000 2.399 136 H HA 0.103 4.659 4.556 0.001 0.000 0.300 136 H C -0.413 174.924 175.328 0.016 0.000 1.048 136 H CA 0.591 56.593 56.048 -0.076 0.000 1.370 136 H CB 0.314 30.003 29.762 -0.122 0.000 1.428 136 H HN 0.145 nan 8.280 nan 0.000 0.534 137 Y N 0.355 120.564 120.300 -0.151 0.000 2.391 137 Y HA 0.453 5.002 4.550 -0.001 0.000 0.341 137 Y C -1.135 174.770 175.900 0.008 0.000 0.965 137 Y CA -1.129 56.904 58.100 -0.111 0.000 1.067 137 Y CB 1.755 40.208 38.460 -0.012 0.000 1.199 137 Y HN 0.032 nan 8.280 nan 0.000 0.450 138 S N 7.148 122.367 115.700 -0.802 0.000 2.594 138 S HA 0.217 4.686 4.470 -0.001 0.000 0.322 138 S C 0.453 174.608 174.600 -0.741 0.000 1.085 138 S CA -0.604 57.260 58.200 -0.560 0.000 1.116 138 S CB -0.086 62.961 63.200 -0.255 0.000 0.979 138 S HN 0.757 nan 8.310 nan 0.000 0.465 139 F N 4.670 124.236 119.950 -0.639 0.000 2.120 139 F HA -0.091 4.436 4.527 -0.000 0.000 0.300 139 F C 2.254 178.007 175.800 -0.078 0.000 1.095 139 F CA 2.048 59.935 58.000 -0.189 0.000 1.249 139 F CB -0.786 38.319 39.000 0.174 0.000 0.995 139 F HN 0.615 nan 8.300 nan 0.000 0.480 140 S N -0.144 115.493 115.700 -0.104 0.000 2.359 140 S HA -0.348 4.121 4.470 -0.001 0.000 0.222 140 S C 2.009 176.542 174.600 -0.112 0.000 1.038 140 S CA 1.625 59.751 58.200 -0.122 0.000 1.051 140 S CB -0.768 62.401 63.200 -0.051 0.000 0.944 140 S HN 0.618 nan 8.310 nan 0.000 0.433 141 Q N 1.100 120.839 119.800 -0.101 0.000 2.135 141 Q HA -0.162 4.177 4.340 -0.001 0.000 0.204 141 Q C 0.563 176.502 176.000 -0.102 0.000 0.981 141 Q CA 1.308 57.058 55.803 -0.088 0.000 0.856 141 Q CB -0.143 28.538 28.738 -0.096 0.000 0.902 141 Q HN 0.369 nan 8.270 nan 0.000 0.425 145 T N 1.278 115.776 114.554 -0.094 0.000 2.720 145 T HA -0.128 4.222 4.350 -0.001 0.000 0.268 145 T C 1.687 176.341 174.700 -0.076 0.000 1.037 145 T CA 2.272 64.328 62.100 -0.073 0.000 1.144 145 T CB -0.199 68.641 68.868 -0.048 0.000 0.864 145 T HN 0.296 nan 8.240 nan 0.000 0.444 146 L N 0.234 121.418 121.223 -0.066 0.000 2.240 146 L HA 0.144 4.484 4.340 -0.001 0.000 0.211 146 L C 2.757 179.560 176.870 -0.113 0.000 1.106 146 L CA 0.674 55.498 54.840 -0.026 0.000 0.793 146 L CB -0.370 41.739 42.059 0.084 0.000 0.927 146 L HN 0.205 nan 8.230 nan 0.000 0.446 147 A N -0.505 122.089 122.820 -0.375 0.000 2.072 147 A HA 0.254 4.574 4.320 -0.001 0.000 0.216 147 A C 1.816 179.211 177.584 -0.315 0.000 1.156 147 A CA 0.820 52.441 52.037 -0.694 0.000 0.701 147 A CB -0.318 17.777 19.000 -1.507 0.000 0.816 147 A HN 0.463 nan 8.150 nan 0.000 0.458 148 G N -0.359 108.322 108.800 -0.199 0.000 2.136 148 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.242 148 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.242 148 G C 0.487 175.335 174.900 -0.086 0.000 0.989 148 G CA 1.026 46.060 45.100 -0.110 0.000 0.682 148 G HN 1.433 nan 8.290 nan 0.000 0.522 149 T N -1.149 113.343 114.554 -0.103 0.000 2.847 149 T HA 0.698 5.048 4.350 -0.001 0.000 0.279 149 T C 0.879 175.573 174.700 -0.009 0.000 0.984 149 T CA -0.279 61.799 62.100 -0.037 0.000 0.988 149 T CB 1.518 70.363 68.868 -0.039 0.000 1.040 149 T HN 1.313 nan 8.240 nan 0.000 0.528 150 I N -0.727 119.862 120.570 0.032 0.000 2.638 150 I HA 0.331 4.501 4.170 -0.001 0.000 0.286 150 I C 0.436 176.475 176.117 -0.131 0.000 1.088 150 I CA -0.772 60.501 61.300 -0.046 0.000 1.397 150 I CB -0.031 37.930 38.000 -0.065 0.000 1.414 150 I HN 0.589 nan 8.210 nan 0.000 0.566 151 D N 5.952 126.235 120.400 -0.195 0.000 2.487 151 D HA 0.030 4.670 4.640 -0.001 0.000 0.243 151 D C -1.662 174.318 176.300 -0.535 0.000 1.154 151 D CA -1.053 52.764 54.000 -0.305 0.000 0.876 151 D CB 1.400 42.058 40.800 -0.236 0.000 1.161 151 D HN 0.371 nan 8.370 nan 0.000 0.478 152 P HA -0.090 nan 4.420 nan 0.000 0.219 152 P C 1.337 178.091 177.300 -0.908 0.000 1.146 152 P CA 0.821 63.084 63.100 -1.395 0.000 0.808 152 P CB 0.199 30.758 31.700 -1.902 0.000 0.779 153 L N -1.170 119.651 121.223 -0.671 0.000 2.599 153 L HA 0.029 4.369 4.340 -0.001 0.000 0.230 153 L C 1.191 177.914 176.870 -0.244 0.000 1.141 153 L CA 0.760 55.368 54.840 -0.387 0.000 0.877 153 L CB -0.444 41.383 42.059 -0.387 0.000 1.009 153 L HN -0.090 nan 8.230 nan 0.000 0.447 154 D N 0.144 120.386 120.400 -0.263 0.000 2.339 154 D HA 0.107 4.747 4.640 -0.001 0.000 0.217 154 D C 0.156 176.372 176.300 -0.140 0.000 1.050 154 D CA 0.289 54.186 54.000 -0.171 0.000 0.856 154 D CB 0.644 41.350 40.800 -0.157 0.000 0.922 154 D HN 0.061 nan 8.370 nan 0.000 0.518 155 L N 0.877 122.001 121.223 -0.165 0.000 2.301 155 L HA 0.348 4.688 4.340 -0.001 0.000 0.278 155 L C -1.957 174.908 176.870 -0.010 0.000 1.022 155 L CA -1.744 53.042 54.840 -0.090 0.000 0.854 155 L CB 1.775 43.753 42.059 -0.134 0.000 1.226 155 L HN -0.306 nan 8.230 nan 0.000 0.429 156 P HA -0.257 nan 4.420 nan 0.000 0.217 156 P C 1.726 179.041 177.300 0.025 0.000 1.162 156 P CA 1.529 64.630 63.100 0.002 0.000 0.901 156 P CB 0.168 31.865 31.700 -0.005 0.000 0.793 157 V N -1.518 118.420 119.914 0.039 0.000 2.392 157 V HA -0.253 3.866 4.120 -0.001 0.000 0.249 157 V C 2.071 178.199 176.094 0.056 0.000 1.059 157 V CA 1.759 64.083 62.300 0.041 0.000 1.051 157 V CB -1.153 30.699 31.823 0.049 0.000 0.658 157 V HN -0.049 nan 8.190 nan 0.000 0.455 158 F N 2.258 122.175 119.950 -0.055 0.000 2.113 158 F HA -0.112 4.415 4.527 -0.001 0.000 0.297 158 F C 2.582 178.332 175.800 -0.083 0.000 1.103 158 F CA 2.292 60.253 58.000 -0.065 0.000 1.248 158 F CB -0.401 38.523 39.000 -0.125 0.000 0.999 158 F HN 0.271 nan 8.300 nan 0.000 0.475 159 R N -0.089 120.492 120.500 0.135 0.000 2.092 159 R HA -0.111 4.228 4.340 -0.001 0.000 0.231 159 R C 1.629 177.899 176.300 -0.050 0.000 1.119 159 R CA 1.734 57.849 56.100 0.026 0.000 0.970 159 R CB -1.130 29.178 30.300 0.015 0.000 0.864 159 R HN 0.160 nan 8.270 nan 0.000 0.440 160 D N 0.858 121.235 120.400 -0.038 0.000 2.104 160 D HA -0.121 4.518 4.640 -0.001 0.000 0.194 160 D C 1.833 178.089 176.300 -0.074 0.000 0.994 160 D CA 2.096 56.069 54.000 -0.045 0.000 0.830 160 D CB -0.523 40.260 40.800 -0.028 0.000 0.959 160 D HN 0.288 nan 8.370 nan 0.000 0.452 161 T N 1.188 115.676 114.554 -0.110 0.000 2.720 161 T HA -0.154 4.196 4.350 -0.001 0.000 0.268 161 T C 1.887 176.483 174.700 -0.174 0.000 1.037 161 T CA 0.601 62.615 62.100 -0.142 0.000 1.144 161 T CB -0.336 68.419 68.868 -0.188 0.000 0.864 161 T HN 0.018 nan 8.240 nan 0.000 0.444 162 L N 1.269 122.350 121.223 -0.237 0.000 2.027 162 L HA 0.073 4.413 4.340 -0.001 0.000 0.206 162 L C 2.549 179.356 176.870 -0.105 0.000 1.074 162 L CA 1.683 56.403 54.840 -0.199 0.000 0.745 162 L CB -0.686 41.255 42.059 -0.197 0.000 0.898 162 L HN 0.081 nan 8.230 nan 0.000 0.433 163 R N -0.484 119.971 120.500 -0.075 0.000 2.094 163 R HA -0.205 4.135 4.340 -0.001 0.000 0.239 163 R C 1.902 178.177 176.300 -0.041 0.000 1.137 163 R CA 2.168 58.242 56.100 -0.044 0.000 0.943 163 R CB -0.386 29.894 30.300 -0.033 0.000 0.850 163 R HN 0.436 nan 8.270 nan 0.000 0.433 164 D N 0.554 120.926 120.400 -0.046 0.000 2.144 164 D HA -0.175 4.465 4.640 -0.001 0.000 0.199 164 D C 1.895 178.184 176.300 -0.020 0.000 0.984 164 D CA 0.799 54.779 54.000 -0.032 0.000 0.834 164 D CB -0.295 40.485 40.800 -0.034 0.000 0.955 164 D HN 0.181 nan 8.370 nan 0.000 0.465 165 L N 0.380 121.579 121.223 -0.041 0.000 2.012 165 L HA -0.167 4.173 4.340 -0.001 0.000 0.210 165 L C 2.062 178.933 176.870 0.002 0.000 1.073 165 L CA 1.271 56.098 54.840 -0.023 0.000 0.748 165 L CB -0.464 41.522 42.059 -0.122 0.000 0.891 165 L HN -0.041 nan 8.230 nan 0.000 0.431 166 L N -0.587 120.608 121.223 -0.047 0.000 2.046 166 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 166 L C 2.619 179.491 176.870 0.004 0.000 1.077 166 L CA 1.961 56.779 54.840 -0.038 0.000 0.747 166 L CB -1.569 40.462 42.059 -0.048 0.000 0.896 166 L HN 0.342 nan 8.230 nan 0.000 0.432 167 A N -0.063 122.756 122.820 -0.001 0.000 1.855 167 A HA -0.214 4.105 4.320 -0.001 0.000 0.215 167 A C 2.178 179.759 177.584 -0.005 0.000 1.191 167 A CA 1.440 53.474 52.037 -0.005 0.000 0.613 167 A CB -0.666 18.326 19.000 -0.013 0.000 0.829 167 A HN 0.602 nan 8.150 nan 0.000 0.442 168 E N -1.252 118.948 120.200 0.001 0.000 2.401 168 E HA -0.216 4.134 4.350 -0.001 0.000 0.199 168 E C 1.013 177.541 176.600 -0.121 0.000 1.023 168 E CA 1.259 57.631 56.400 -0.046 0.000 0.859 168 E CB -0.392 29.286 29.700 -0.037 0.000 0.780 168 E HN 0.775 nan 8.360 nan 0.000 0.523 169 H N -0.807 118.216 119.070 -0.079 0.000 2.542 169 H HA 0.180 4.736 4.556 -0.000 0.000 0.283 169 H C 1.169 176.445 175.328 -0.087 0.000 1.059 169 H CA 0.389 56.380 56.048 -0.095 0.000 1.162 169 H CB 1.342 31.027 29.762 -0.128 0.000 1.539 169 H HN 0.451 nan 8.280 nan 0.000 0.543 170 G N 1.630 110.434 108.800 0.006 0.000 2.302 170 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.263 170 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.263 170 G C 0.476 175.370 174.900 -0.010 0.000 0.995 170 G CA 0.413 45.506 45.100 -0.012 0.000 0.622 170 G HN 0.340 nan 8.290 nan 0.000 0.538 171 L N 2.714 123.931 121.223 -0.011 0.000 2.700 171 L HA 0.385 4.725 4.340 -0.001 0.000 0.276 171 L C 1.492 178.347 176.870 -0.025 0.000 1.200 171 L CA 1.114 55.933 54.840 -0.035 0.000 0.951 171 L CB 0.404 42.423 42.059 -0.067 0.000 1.226 171 L HN 0.654 nan 8.230 nan 0.000 0.489 172 S N 5.773 121.461 115.700 -0.019 0.000 3.697 172 S HA 0.285 4.754 4.470 -0.001 0.000 0.207 172 S C 0.226 174.824 174.600 -0.004 0.000 1.459 172 S CA -0.697 57.498 58.200 -0.008 0.000 1.122 172 S CB -0.431 62.768 63.200 -0.002 0.000 1.311 172 S HN 0.697 nan 8.310 nan 0.000 0.487 173 R N 1.616 122.111 120.500 -0.009 0.000 2.518 173 R HA 0.300 4.640 4.340 -0.001 0.000 0.296 173 R C -0.298 176.011 176.300 0.015 0.000 1.080 173 R CA -0.148 55.954 56.100 0.003 0.000 0.922 173 R CB 1.551 31.836 30.300 -0.025 0.000 1.184 173 R HN 0.517 nan 8.270 nan 0.000 0.445 174 S N 1.941 117.661 115.700 0.033 0.000 2.560 174 S HA -0.025 4.444 4.470 -0.001 0.000 0.276 174 S C 1.499 176.135 174.600 0.060 0.000 1.350 174 S CA -0.476 57.747 58.200 0.038 0.000 1.024 174 S CB 1.119 64.344 63.200 0.042 0.000 0.864 174 S HN 0.405 nan 8.310 nan 0.000 0.536 175 V N 2.288 122.235 119.914 0.054 0.000 2.332 175 V HA -0.150 3.970 4.120 -0.001 0.000 0.248 175 V C 2.480 178.668 176.094 0.157 0.000 1.055 175 V CA 1.987 64.337 62.300 0.084 0.000 1.038 175 V CB -0.972 30.877 31.823 0.044 0.000 0.651 175 V HN 0.818 nan 8.190 nan 0.000 0.450 176 V N -0.020 119.968 119.914 0.123 0.000 2.453 176 V HA -0.189 3.931 4.120 -0.001 0.000 0.247 176 V C 2.179 178.402 176.094 0.215 0.000 1.048 176 V CA 2.308 64.704 62.300 0.160 0.000 1.049 176 V CB -0.379 31.496 31.823 0.086 0.000 0.672 176 V HN 0.565 nan 8.190 nan 0.000 0.457 177 D N -0.630 119.868 120.400 0.164 0.000 2.144 177 D HA -0.176 4.463 4.640 -0.001 0.000 0.200 177 D C 2.166 178.603 176.300 0.229 0.000 0.978 177 D CA 1.631 55.735 54.000 0.174 0.000 0.833 177 D CB -0.697 40.179 40.800 0.127 0.000 0.961 177 D HN 0.612 nan 8.370 nan 0.000 0.470 178 C N 0.464 119.884 119.300 0.200 0.000 2.432 178 C HA -0.119 4.341 4.460 -0.001 0.000 0.277 178 C C 2.526 177.736 174.990 0.366 0.000 1.249 178 C CA 0.424 59.555 59.018 0.188 0.000 1.725 178 C CB -1.454 26.346 27.740 0.102 0.000 2.028 178 C HN 0.526 nan 8.230 nan 0.000 0.477 179 W N 1.228 122.670 121.300 0.237 0.000 2.402 179 W HA -0.024 4.636 4.660 -0.001 0.000 0.286 179 W C 1.186 177.892 176.519 0.310 0.000 1.221 179 W CA 1.574 59.137 57.345 0.364 0.000 1.257 179 W CB -0.500 29.107 29.460 0.244 0.000 1.120 179 W HN 0.480 nan 8.180 nan 0.000 0.551 180 N N -0.683 118.238 118.700 0.369 0.000 2.279 180 N HA -0.029 4.711 4.740 -0.001 0.000 0.226 180 N C -0.470 175.150 175.510 0.183 0.000 1.126 180 N CA -0.245 52.930 53.050 0.209 0.000 0.846 180 N CB -0.209 38.401 38.487 0.206 0.000 1.050 180 N HN -0.005 nan 8.380 nan 0.000 0.502 181 H N 0.332 119.490 119.070 0.146 0.000 2.886 181 H HA 0.188 4.744 4.556 0.000 0.000 0.329 181 H C -0.537 174.859 175.328 0.114 0.000 1.044 181 H CA 0.020 56.149 56.048 0.136 0.000 1.456 181 H CB 0.509 30.371 29.762 0.167 0.000 1.464 181 H HN -0.204 nan 8.280 nan 0.000 0.573 182 V N 5.728 125.379 119.914 -0.438 0.000 2.370 182 V HA 0.132 4.252 4.120 -0.001 0.000 0.283 182 V C 0.362 176.146 176.094 -0.517 0.000 1.023 182 V CA -0.831 61.289 62.300 -0.300 0.000 0.857 182 V CB 1.030 32.798 31.823 -0.091 0.000 0.985 182 V HN 0.801 nan 8.190 nan 0.000 0.443 183 E N 2.956 122.987 120.200 -0.281 0.000 2.392 183 E HA 0.150 4.500 4.350 -0.001 0.000 0.259 183 E C 0.907 177.365 176.600 -0.237 0.000 1.108 183 E CA 0.274 56.580 56.400 -0.157 0.000 0.916 183 E CB 0.923 30.571 29.700 -0.086 0.000 0.989 183 E HN 0.617 nan 8.360 nan 0.000 0.432 184 Q N 0.614 120.349 119.800 -0.109 0.000 2.311 184 Q HA 0.097 4.437 4.340 -0.001 0.000 0.203 184 Q C -0.218 175.637 176.000 -0.241 0.000 0.954 184 Q CA 0.380 56.136 55.803 -0.079 0.000 0.885 184 Q CB 0.214 29.040 28.738 0.146 0.000 0.963 184 Q HN 0.239 nan 8.270 nan 0.000 0.471 185 L N 0.659 121.602 121.223 -0.467 0.000 2.408 185 L HA 0.423 4.763 4.340 -0.001 0.000 0.268 185 L C -1.732 174.767 176.870 -0.618 0.000 0.986 185 L CA -0.410 54.037 54.840 -0.655 0.000 0.820 185 L CB 2.026 43.403 42.059 -1.138 0.000 1.303 185 L HN -0.058 nan 8.230 nan 0.000 0.411 186 N N 5.140 123.471 118.700 -0.615 0.000 2.410 186 N HA 0.392 5.132 4.740 -0.001 0.000 0.287 186 N C -1.560 173.661 175.510 -0.482 0.000 1.044 186 N CA -0.569 52.148 53.050 -0.555 0.000 0.881 186 N CB 2.456 40.555 38.487 -0.646 0.000 1.405 186 N HN 0.318 nan 8.380 nan 0.000 0.490 187 L N 2.507 123.444 121.223 -0.475 0.000 2.260 187 L HA 0.348 4.688 4.340 -0.001 0.000 0.289 187 L C -0.323 176.119 176.870 -0.714 0.000 1.057 187 L CA -0.461 54.039 54.840 -0.566 0.000 0.811 187 L CB 1.281 43.012 42.059 -0.547 0.000 1.184 187 L HN 0.270 nan 8.230 nan 0.000 0.429 188 V N 4.496 123.971 119.914 -0.731 0.000 2.409 188 V HA 0.297 4.417 4.120 -0.001 0.000 0.291 188 V C -0.043 175.739 176.094 -0.520 0.000 1.020 188 V CA -0.497 61.428 62.300 -0.624 0.000 0.848 188 V CB 1.201 32.602 31.823 -0.704 0.000 0.990 188 V HN 0.416 nan 8.190 nan 0.000 0.430 189 F N 3.863 123.774 119.950 -0.067 0.000 2.833 189 F HA 0.459 4.986 4.527 0.000 0.000 0.327 189 F C 0.258 176.063 175.800 0.010 0.000 1.184 189 F CA -0.181 57.807 58.000 -0.020 0.000 1.328 189 F CB 0.087 39.078 39.000 -0.016 0.000 1.440 189 F HN 0.210 nan 8.300 nan 0.000 0.569 190 V N 0.503 120.507 119.914 0.150 0.000 2.932 190 V HA 0.360 4.480 4.120 -0.001 0.000 0.307 190 V C -2.445 173.799 176.094 0.249 0.000 1.147 190 V CA -2.281 60.129 62.300 0.183 0.000 0.951 190 V CB 2.803 34.736 31.823 0.184 0.000 1.031 190 V HN -0.066 nan 8.190 nan 0.000 0.426 191 P HA 0.147 nan 4.420 nan 0.000 0.268 191 P C 0.534 177.812 177.300 -0.037 0.000 1.204 191 P CA -0.115 63.048 63.100 0.105 0.000 0.768 191 P CB 0.626 32.377 31.700 0.085 0.000 0.842 192 K N 3.545 123.773 120.400 -0.287 0.000 2.218 192 K HA -0.226 4.094 4.320 -0.001 0.000 0.205 192 K C 1.593 177.911 176.600 -0.471 0.000 1.046 192 K CA 1.718 57.513 56.287 -0.820 0.000 0.933 192 K CB -0.471 31.525 32.500 -0.841 0.000 0.728 192 K HN 0.448 nan 8.250 nan 0.000 0.454 193 A N 0.270 122.899 122.820 -0.319 0.000 2.019 193 A HA -0.124 4.196 4.320 -0.001 0.000 0.219 193 A C 1.892 179.405 177.584 -0.118 0.000 1.164 193 A CA 1.073 52.918 52.037 -0.320 0.000 0.644 193 A CB -0.578 18.038 19.000 -0.640 0.000 0.805 193 A HN 0.541 nan 8.150 nan 0.000 0.449 194 F N 0.013 119.863 119.950 -0.167 0.000 2.387 194 F HA 0.127 4.654 4.527 -0.001 0.000 0.294 194 F C 1.126 176.953 175.800 0.045 0.000 1.093 194 F CA 0.490 58.466 58.000 -0.041 0.000 1.420 194 F CB 0.030 39.030 39.000 -0.000 0.000 1.086 194 F HN 0.275 nan 8.300 nan 0.000 0.531 195 Q N 2.564 122.351 119.800 -0.021 0.000 2.283 195 Q HA -0.017 4.323 4.340 -0.001 0.000 0.301 195 Q C -0.417 175.412 176.000 -0.284 0.000 1.063 195 Q CA 0.446 56.221 55.803 -0.045 0.000 0.952 195 Q CB -0.006 28.549 28.738 -0.305 0.000 1.166 195 Q HN 0.418 nan 8.270 nan 0.000 0.381 196 I N 4.375 124.609 120.570 -0.560 0.000 2.662 196 I HA -0.016 4.153 4.170 -0.001 0.000 0.285 196 I C 0.820 176.715 176.117 -0.370 0.000 1.161 196 I CA 1.096 61.958 61.300 -0.730 0.000 1.415 196 I CB -0.149 37.015 38.000 -1.394 0.000 1.385 196 I HN 1.001 nan 8.210 nan 0.000 0.552 197 A N 5.037 127.726 122.820 -0.218 0.000 2.869 197 A HA -0.195 4.124 4.320 -0.001 0.000 0.280 197 A C 1.720 179.354 177.584 0.084 0.000 1.458 197 A CA 0.771 52.787 52.037 -0.034 0.000 0.776 197 A CB -2.133 16.949 19.000 0.136 0.000 1.028 197 A HN 1.060 nan 8.150 nan 0.000 0.547 198 G N -0.210 108.551 108.800 -0.064 0.000 2.469 198 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.220 198 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.220 198 G C 0.945 175.834 174.900 -0.017 0.000 1.136 198 G CA 1.354 46.367 45.100 -0.145 0.000 0.759 198 G HN 0.688 nan 8.290 nan 0.000 0.562 199 D N 0.139 120.501 120.400 -0.063 0.000 2.309 199 D HA -0.092 4.548 4.640 -0.001 0.000 0.212 199 D C 2.724 178.997 176.300 -0.046 0.000 0.968 199 D CA 1.555 55.517 54.000 -0.064 0.000 0.882 199 D CB -0.293 40.453 40.800 -0.091 0.000 0.918 199 D HN 0.536 nan 8.370 nan 0.000 0.503 200 T N -2.418 112.104 114.554 -0.054 0.000 3.100 200 T HA 0.040 4.389 4.350 -0.001 0.000 0.253 200 T C 0.565 175.117 174.700 -0.245 0.000 1.118 200 T CA -0.306 61.681 62.100 -0.189 0.000 1.058 200 T CB -0.346 68.319 68.868 -0.340 0.000 0.953 200 T HN -0.187 nan 8.240 nan 0.000 0.515 201 F N 3.487 123.364 119.950 -0.122 0.000 2.396 201 F HA 0.471 4.997 4.527 -0.001 0.000 0.343 201 F C 0.811 176.640 175.800 0.050 0.000 1.104 201 F CA -1.522 56.401 58.000 -0.129 0.000 1.161 201 F CB 0.897 39.812 39.000 -0.142 0.000 1.146 201 F HN 0.239 nan 8.300 nan 0.000 0.522 202 D N 0.111 120.693 120.400 0.304 0.000 2.511 202 D HA 0.135 4.774 4.640 -0.001 0.000 0.283 202 D C 0.237 176.748 176.300 0.351 0.000 1.198 202 D CA -0.333 53.836 54.000 0.281 0.000 1.097 202 D CB 0.310 41.226 40.800 0.193 0.000 1.160 202 D HN 0.310 nan 8.370 nan 0.000 0.589 203 D N -1.497 119.035 120.400 0.221 0.000 2.349 203 D HA 0.017 4.656 4.640 -0.001 0.000 0.224 203 D C 1.467 177.826 176.300 0.099 0.000 1.029 203 D CA 0.238 54.334 54.000 0.159 0.000 0.879 203 D CB -0.088 40.771 40.800 0.097 0.000 0.906 203 D HN 0.300 nan 8.370 nan 0.000 0.528 204 R N -0.365 120.195 120.500 0.101 0.000 2.280 204 R HA 0.044 4.383 4.340 -0.001 0.000 0.207 204 R C -0.071 175.950 176.300 -0.466 0.000 1.043 204 R CA 0.445 56.431 56.100 -0.191 0.000 1.006 204 R CB 0.089 30.218 30.300 -0.284 0.000 0.885 204 R HN 0.061 nan 8.270 nan 0.000 0.467 205 F N -0.560 119.373 119.950 -0.028 0.000 2.493 205 F HA 0.332 4.859 4.527 -0.001 0.000 0.329 205 F C -0.218 175.471 175.800 -0.186 0.000 1.126 205 F CA -1.133 56.765 58.000 -0.170 0.000 0.937 205 F CB 1.837 40.783 39.000 -0.090 0.000 1.146 205 F HN -0.416 nan 8.300 nan 0.000 0.442 206 V N 4.433 124.218 119.914 -0.216 0.000 2.325 206 V HA 0.270 4.390 4.120 -0.001 0.000 0.280 206 V C -0.698 175.241 176.094 -0.258 0.000 1.016 206 V CA -0.789 61.429 62.300 -0.136 0.000 0.818 206 V CB 0.604 32.344 31.823 -0.139 0.000 1.019 206 V HN 0.483 nan 8.190 nan 0.000 0.434 207 F N 4.658 124.570 119.950 -0.063 0.000 2.509 207 F HA 0.185 4.711 4.527 -0.000 0.000 0.350 207 F C 1.316 177.073 175.800 -0.072 0.000 1.220 207 F CA -0.233 57.713 58.000 -0.089 0.000 1.151 207 F CB 0.900 39.853 39.000 -0.077 0.000 1.379 207 F HN 0.464 nan 8.300 nan 0.000 0.610 208 V N 1.140 121.038 119.914 -0.026 0.000 3.541 208 V HA 0.468 4.588 4.120 -0.001 0.000 0.267 208 V C 1.174 177.313 176.094 0.075 0.000 1.213 208 V CA 0.338 62.640 62.300 0.002 0.000 1.149 208 V CB -1.002 30.782 31.823 -0.064 0.000 0.822 208 V HN 0.907 nan 8.190 nan 0.000 0.462 209 G N 1.300 110.166 108.800 0.111 0.000 2.752 209 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.234 209 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.234 209 G C -2.401 172.630 174.900 0.219 0.000 1.367 209 G CA -0.252 44.941 45.100 0.154 0.000 0.879 209 G HN 0.610 nan 8.290 nan 0.000 0.563 210 P HA 0.364 nan 4.420 nan 0.000 0.268 210 P C -0.134 177.177 177.300 0.017 0.000 1.205 210 P CA 0.098 63.294 63.100 0.159 0.000 0.771 210 P CB 0.658 32.485 31.700 0.212 0.000 0.858 211 C N 4.609 123.900 119.300 -0.015 0.000 2.407 211 C HA 0.671 5.131 4.460 -0.001 0.000 0.328 211 C C -0.031 174.898 174.990 -0.102 0.000 1.137 211 C CA -0.353 58.581 59.018 -0.141 0.000 1.390 211 C CB -1.052 26.681 27.740 -0.010 0.000 1.989 211 C HN 0.592 nan 8.230 nan 0.000 0.432 212 F N 0.393 120.281 119.950 -0.103 0.000 2.692 212 F HA 0.908 5.434 4.527 -0.000 0.000 0.320 212 F C -0.641 175.131 175.800 -0.045 0.000 1.123 212 F CA -0.990 56.960 58.000 -0.083 0.000 0.961 212 F CB 0.737 39.673 39.000 -0.107 0.000 1.383 212 F HN 0.271 nan 8.300 nan 0.000 0.483 213 D N -0.744 119.867 120.400 0.352 0.000 2.784 213 D HA 0.271 4.911 4.640 -0.001 0.000 0.256 213 D C 0.169 176.607 176.300 0.231 0.000 1.129 213 D CA -0.228 53.906 54.000 0.222 0.000 1.102 213 D CB 1.408 42.307 40.800 0.165 0.000 1.330 213 D HN 0.571 nan 8.370 nan 0.000 0.626 214 D N -0.411 120.074 120.400 0.141 0.000 2.277 214 D HA 0.052 4.692 4.640 -0.001 0.000 0.208 214 D C 0.105 176.406 176.300 0.000 0.000 0.962 214 D CA 0.440 54.492 54.000 0.087 0.000 0.865 214 D CB 0.106 40.952 40.800 0.075 0.000 0.939 214 D HN 0.266 nan 8.370 nan 0.000 0.510 215 R N -0.357 120.133 120.500 -0.016 0.000 3.188 215 R HA -0.241 4.098 4.340 -0.001 0.000 0.247 215 R C 0.943 177.042 176.300 -0.334 0.000 0.918 215 R CA 0.247 56.189 56.100 -0.263 0.000 0.629 215 R CB -1.031 29.057 30.300 -0.354 0.000 1.087 215 R HN 0.025 nan 8.270 nan 0.000 0.462 216 R N 1.359 121.793 120.500 -0.110 0.000 2.189 216 R HA -0.119 4.221 4.340 -0.001 0.000 0.223 216 R C 1.676 177.937 176.300 -0.064 0.000 1.092 216 R CA 2.055 58.122 56.100 -0.054 0.000 0.989 216 R CB -0.268 30.052 30.300 0.033 0.000 0.876 216 R HN 0.580 nan 8.270 nan 0.000 0.457 217 F N -1.374 118.565 119.950 -0.018 0.000 2.641 217 F HA 0.141 4.668 4.527 -0.001 0.000 0.298 217 F C 0.747 176.505 175.800 -0.071 0.000 1.146 217 F CA 0.415 58.386 58.000 -0.048 0.000 1.464 217 F CB -0.217 38.745 39.000 -0.064 0.000 1.101 217 F HN -0.067 nan 8.300 nan 0.000 0.585 218 L N 0.931 121.850 121.223 -0.508 0.000 2.741 218 L HA 0.524 4.863 4.340 -0.001 0.000 0.237 218 L C 1.044 177.851 176.870 -0.105 0.000 1.178 218 L CA 0.113 54.765 54.840 -0.314 0.000 0.973 218 L CB -0.569 41.251 42.059 -0.398 0.000 1.255 218 L HN 0.503 nan 8.230 nan 0.000 0.498 219 G N 1.312 110.067 108.800 -0.074 0.000 2.582 219 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.222 219 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.222 219 G C -0.723 174.166 174.900 -0.020 0.000 1.311 219 G CA -0.264 44.827 45.100 -0.015 0.000 0.915 219 G HN 0.372 nan 8.290 nan 0.000 0.528 220 E N -2.119 118.088 120.200 0.012 0.000 2.450 220 E HA 0.702 5.052 4.350 -0.001 0.000 0.272 220 E C -1.427 175.246 176.600 0.121 0.000 0.967 220 E CA -1.166 55.261 56.400 0.046 0.000 0.818 220 E CB 2.584 32.301 29.700 0.028 0.000 1.401 220 E HN 1.235 nan 8.360 nan 0.000 0.450 221 W N 1.319 122.560 121.300 -0.098 0.000 3.615 221 W HA 0.340 5.000 4.660 -0.000 0.000 0.319 221 W C -1.715 174.758 176.519 -0.077 0.000 1.172 221 W CA -0.201 57.082 57.345 -0.103 0.000 1.240 221 W CB 1.894 31.274 29.460 -0.133 0.000 1.313 221 W HN 0.684 nan 8.180 nan 0.000 0.487 222 T N 2.486 116.600 114.554 -0.734 0.000 2.807 222 T HA 0.558 4.908 4.350 -0.001 0.000 0.279 222 T C 0.147 174.035 174.700 -1.353 0.000 0.993 222 T CA -1.035 60.606 62.100 -0.766 0.000 0.970 222 T CB 1.453 70.078 68.868 -0.406 0.000 0.950 222 T HN 0.715 nan 8.240 nan 0.000 0.441 223 R N 2.237 121.992 120.500 -1.242 0.000 2.817 223 R HA 0.298 4.637 4.340 -0.001 0.000 0.264 223 R C -2.378 173.533 176.300 -0.648 0.000 1.009 223 R CA -0.864 54.600 56.100 -1.060 0.000 1.133 223 R CB -0.992 29.077 30.300 -0.385 0.000 1.013 223 R HN 0.324 nan 8.270 nan 0.000 0.453 224 P HA 0.043 nan 4.420 nan 0.000 0.272 224 P C -0.435 176.704 177.300 -0.268 0.000 1.254 224 P CA -0.011 62.809 63.100 -0.467 0.000 0.795 224 P CB 0.554 31.807 31.700 -0.745 0.000 1.022 225 A N 0.423 123.138 122.820 -0.175 0.000 2.169 225 A HA -0.027 4.293 4.320 -0.001 0.000 0.210 225 A C 1.345 178.885 177.584 -0.074 0.000 1.168 225 A CA 0.808 52.779 52.037 -0.109 0.000 0.813 225 A CB -0.954 18.000 19.000 -0.076 0.000 0.861 225 A HN 0.600 nan 8.150 nan 0.000 0.481 226 D N -0.637 119.727 120.400 -0.061 0.000 2.371 226 D HA -0.065 4.575 4.640 -0.001 0.000 0.221 226 D C -0.404 175.879 176.300 -0.027 0.000 0.986 226 D CA 0.637 54.628 54.000 -0.015 0.000 0.899 226 D CB -0.550 40.283 40.800 0.054 0.000 0.902 226 D HN 0.181 nan 8.370 nan 0.000 0.530 227 D N -0.254 120.108 120.400 -0.063 0.000 2.686 227 D HA -0.166 4.473 4.640 -0.001 0.000 0.235 227 D C -0.604 175.680 176.300 -0.026 0.000 1.160 227 D CA 0.433 54.402 54.000 -0.052 0.000 0.645 227 D CB -1.105 39.667 40.800 -0.046 0.000 1.039 227 D HN 0.419 nan 8.370 nan 0.000 0.423 228 L N 0.395 121.620 121.223 0.004 0.000 2.344 228 L HA 0.437 4.777 4.340 -0.001 0.000 0.272 228 L C -1.593 175.318 176.870 0.068 0.000 1.035 228 L CA -1.894 52.963 54.840 0.028 0.000 0.807 228 L CB 1.075 43.192 42.059 0.098 0.000 1.237 228 L HN -0.160 nan 8.230 nan 0.000 0.442 229 P HA -0.025 nan 4.420 nan 0.000 0.261 229 P C -0.586 176.894 177.300 0.300 0.000 1.183 229 P CA 0.035 63.210 63.100 0.125 0.000 0.761 229 P CB 0.530 32.244 31.700 0.024 0.000 0.785 230 V N 5.266 125.337 119.914 0.261 0.000 2.461 230 V HA 0.115 4.235 4.120 -0.001 0.000 0.275 230 V C 0.616 176.831 176.094 0.202 0.000 1.047 230 V CA -0.274 62.193 62.300 0.278 0.000 0.955 230 V CB 1.553 33.529 31.823 0.255 0.000 0.988 230 V HN 0.273 nan 8.190 nan 0.000 0.471 231 V N 6.548 126.546 119.914 0.140 0.000 2.409 231 V HA 0.383 4.503 4.120 -0.001 0.000 0.291 231 V C -0.236 175.774 176.094 -0.141 0.000 1.020 231 V CA -0.631 61.648 62.300 -0.036 0.000 0.848 231 V CB 1.585 33.297 31.823 -0.185 0.000 0.990 231 V HN 0.699 nan 8.190 nan 0.000 0.430 232 L N 7.152 128.272 121.223 -0.172 0.000 2.290 232 L HA 0.626 4.965 4.340 -0.001 0.000 0.284 232 L C -0.431 176.320 176.870 -0.198 0.000 1.078 232 L CA 0.522 55.219 54.840 -0.238 0.000 0.815 232 L CB 1.213 43.084 42.059 -0.314 0.000 1.162 232 L HN 0.457 nan 8.230 nan 0.000 0.435 233 V N 4.566 124.380 119.914 -0.166 0.000 2.540 233 V HA 0.786 4.906 4.120 -0.001 0.000 0.302 233 V C -0.280 175.858 176.094 0.073 0.000 1.035 233 V CA -0.389 61.889 62.300 -0.037 0.000 0.873 233 V CB 1.588 33.385 31.823 -0.044 0.000 0.992 233 V HN 0.850 nan 8.190 nan 0.000 0.428 234 S N 3.422 119.225 115.700 0.172 0.000 2.548 234 S HA 0.530 5.000 4.470 -0.001 0.000 0.278 234 S C -0.378 174.349 174.600 0.212 0.000 1.150 234 S CA -0.533 57.805 58.200 0.230 0.000 0.907 234 S CB 1.482 64.742 63.200 0.100 0.000 1.108 234 S HN 0.606 nan 8.310 nan 0.000 0.459 235 L N 3.652 124.968 121.223 0.155 0.000 2.667 235 L HA 0.441 4.781 4.340 -0.001 0.000 0.232 235 L C 1.357 177.860 176.870 -0.612 0.000 1.138 235 L CA 0.499 55.218 54.840 -0.202 0.000 0.921 235 L CB -0.423 41.488 42.059 -0.247 0.000 1.180 235 L HN 1.069 nan 8.230 nan 0.000 0.487 236 G N 0.990 109.625 108.800 -0.275 0.000 2.484 236 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.225 236 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.225 236 G C 0.455 175.236 174.900 -0.198 0.000 1.250 236 G CA 0.133 45.087 45.100 -0.244 0.000 0.926 236 G HN 0.184 nan 8.290 nan 0.000 0.581 237 T N -4.232 110.249 114.554 -0.122 0.000 2.975 237 T HA 0.431 4.780 4.350 -0.001 0.000 0.261 237 T C 1.769 176.440 174.700 -0.048 0.000 0.984 237 T CA 1.722 63.777 62.100 -0.076 0.000 0.911 237 T CB 0.516 69.434 68.868 0.082 0.000 1.127 237 T HN 0.797 nan 8.240 nan 0.000 0.514 238 T N 1.087 115.584 114.554 -0.094 0.000 3.146 238 T HA 0.352 4.702 4.350 -0.001 0.000 0.235 238 T C -0.009 174.461 174.700 -0.383 0.000 0.985 238 T CA 0.190 62.159 62.100 -0.219 0.000 1.265 238 T CB -0.230 68.510 68.868 -0.212 0.000 0.946 238 T HN 0.315 nan 8.240 nan 0.000 0.418 239 F N 3.683 123.584 119.950 -0.082 0.000 2.611 239 F HA 0.354 4.881 4.527 -0.001 0.000 0.321 239 F C 0.906 176.634 175.800 -0.120 0.000 1.208 239 F CA -0.949 57.002 58.000 -0.080 0.000 1.249 239 F CB -0.201 38.738 39.000 -0.102 0.000 1.514 239 F HN 0.207 nan 8.300 nan 0.000 0.561 240 N N -1.195 117.508 118.700 0.005 0.000 2.204 240 N HA -0.003 4.737 4.740 -0.001 0.000 0.219 240 N C -0.062 175.502 175.510 0.089 0.000 1.151 240 N CA -0.032 53.022 53.050 0.007 0.000 0.867 240 N CB -0.150 38.307 38.487 -0.049 0.000 1.043 240 N HN 0.103 nan 8.380 nan 0.000 0.516 241 D N 1.461 121.905 120.400 0.074 0.000 2.845 241 D HA 0.096 4.735 4.640 -0.001 0.000 0.235 241 D C -0.540 175.825 176.300 0.108 0.000 1.158 241 D CA -0.082 53.971 54.000 0.088 0.000 0.990 241 D CB -0.034 40.806 40.800 0.068 0.000 1.094 241 D HN 0.006 nan 8.370 nan 0.000 0.486 242 R N 2.424 123.023 120.500 0.165 0.000 2.585 242 R HA 0.220 4.560 4.340 -0.001 0.000 0.278 242 R C -2.073 174.372 176.300 0.242 0.000 1.663 242 R CA -1.503 54.674 56.100 0.129 0.000 1.592 242 R CB 1.175 31.469 30.300 -0.011 0.000 1.200 242 R HN 0.162 nan 8.270 nan 0.000 0.611 243 P HA -0.081 nan 4.420 nan 0.000 0.217 243 P C 1.483 178.893 177.300 0.183 0.000 1.150 243 P CA 1.114 64.360 63.100 0.243 0.000 0.832 243 P CB 0.336 32.114 31.700 0.131 0.000 0.787 244 G N -0.694 108.177 108.800 0.118 0.000 2.442 244 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.219 244 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.219 244 G C 1.390 176.323 174.900 0.054 0.000 1.141 244 G CA 0.420 45.564 45.100 0.074 0.000 0.763 244 G HN 0.209 nan 8.290 nan 0.000 0.554 245 F N 1.008 120.885 119.950 -0.122 0.000 2.075 245 F HA 0.053 4.580 4.527 -0.001 0.000 0.297 245 F C 2.268 177.917 175.800 -0.251 0.000 1.113 245 F CA 1.261 59.104 58.000 -0.261 0.000 1.218 245 F CB -0.306 38.403 39.000 -0.486 0.000 0.984 245 F HN 0.112 nan 8.300 nan 0.000 0.472 246 F N 0.342 120.259 119.950 -0.055 0.000 2.234 246 F HA -0.032 4.495 4.527 -0.001 0.000 0.299 246 F C 2.625 178.325 175.800 -0.168 0.000 1.087 246 F CA 1.419 59.314 58.000 -0.175 0.000 1.340 246 F CB -0.956 38.028 39.000 -0.027 0.000 1.031 246 F HN -0.139 nan 8.300 nan 0.000 0.500 247 R N 0.307 120.851 120.500 0.073 0.000 2.066 247 R HA -0.162 4.178 4.340 -0.001 0.000 0.232 247 R C 1.971 178.253 176.300 -0.029 0.000 1.131 247 R CA 1.725 57.841 56.100 0.026 0.000 0.955 247 R CB -0.465 29.859 30.300 0.039 0.000 0.851 247 R HN 0.142 nan 8.270 nan 0.000 0.432 248 D N -0.735 119.621 120.400 -0.073 0.000 2.144 248 D HA -0.155 4.485 4.640 -0.001 0.000 0.200 248 D C 1.855 178.093 176.300 -0.103 0.000 0.978 248 D CA 0.961 54.912 54.000 -0.082 0.000 0.833 248 D CB -0.212 40.537 40.800 -0.085 0.000 0.961 248 D HN 0.280 nan 8.370 nan 0.000 0.470 249 C N 0.212 119.385 119.300 -0.211 0.000 2.462 249 C HA 0.140 4.600 4.460 -0.001 0.000 0.278 249 C C 2.874 177.886 174.990 0.038 0.000 1.253 249 C CA 1.487 60.414 59.018 -0.152 0.000 1.713 249 C CB -1.381 26.088 27.740 -0.451 0.000 2.049 249 C HN 0.371 nan 8.230 nan 0.000 0.477 250 A N 0.863 123.668 122.820 -0.026 0.000 1.948 250 A HA -0.207 4.113 4.320 -0.001 0.000 0.220 250 A C 2.445 180.061 177.584 0.053 0.000 1.177 250 A CA 1.892 53.938 52.037 0.015 0.000 0.636 250 A CB -0.796 18.195 19.000 -0.014 0.000 0.815 250 A HN 0.704 nan 8.150 nan 0.000 0.449 251 R N -0.024 120.491 120.500 0.025 0.000 2.075 251 R HA -0.052 4.287 4.340 -0.001 0.000 0.232 251 R C 2.232 178.545 176.300 0.023 0.000 1.126 251 R CA 1.701 57.811 56.100 0.017 0.000 0.963 251 R CB -0.766 29.532 30.300 -0.004 0.000 0.858 251 R HN 0.436 nan 8.270 nan 0.000 0.435 252 A N -0.242 122.593 122.820 0.025 0.000 1.930 252 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 252 A C 1.843 179.375 177.584 -0.087 0.000 1.175 252 A CA 0.877 52.886 52.037 -0.047 0.000 0.627 252 A CB -0.566 18.376 19.000 -0.096 0.000 0.815 252 A HN 0.336 nan 8.150 nan 0.000 0.443 253 F N 0.486 120.414 119.950 -0.037 0.000 2.804 253 F HA 0.087 4.614 4.527 -0.001 0.000 0.303 253 F C 0.546 176.367 175.800 0.034 0.000 1.154 253 F CA -0.228 57.778 58.000 0.011 0.000 1.401 253 F CB -0.056 38.933 39.000 -0.017 0.000 1.106 253 F HN 0.128 nan 8.300 nan 0.000 0.568 254 D N 0.365 120.844 120.400 0.131 0.000 2.434 254 D HA 0.217 4.856 4.640 -0.001 0.000 0.252 254 D C 1.189 177.530 176.300 0.070 0.000 1.185 254 D CA 1.060 55.110 54.000 0.083 0.000 0.886 254 D CB 0.528 41.355 40.800 0.044 0.000 1.148 254 D HN 0.386 nan 8.370 nan 0.000 0.483 255 G N 3.066 111.912 108.800 0.077 0.000 2.179 255 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.257 255 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.257 255 G C 0.166 175.108 174.900 0.070 0.000 1.010 255 G CA 0.140 45.275 45.100 0.059 0.000 0.736 255 G HN 0.552 nan 8.290 nan 0.000 0.513 256 Q N -0.557 119.320 119.800 0.130 0.000 2.215 256 Q HA 0.419 4.758 4.340 -0.001 0.000 0.256 256 Q C -1.942 174.156 176.000 0.163 0.000 0.972 256 Q CA -2.019 53.886 55.803 0.169 0.000 0.889 256 Q CB 1.542 30.432 28.738 0.252 0.000 1.281 256 Q HN 0.194 nan 8.270 nan 0.000 0.456 257 P HA 0.028 nan 4.420 nan 0.000 0.261 257 P C -1.143 175.859 177.300 -0.496 0.000 1.650 257 P CA 0.342 63.272 63.100 -0.283 0.000 0.846 257 P CB -0.469 30.963 31.700 -0.447 0.000 1.758 258 W N -1.158 120.242 121.300 0.166 0.000 3.033 258 W HA 0.373 5.032 4.660 -0.001 0.000 0.336 258 W C -0.237 176.392 176.519 0.184 0.000 1.173 258 W CA -0.795 56.671 57.345 0.201 0.000 1.185 258 W CB 0.804 30.455 29.460 0.318 0.000 1.425 258 W HN -0.007 nan 8.180 nan 0.000 0.536 259 H N 1.017 120.278 119.070 0.318 0.000 2.673 259 H HA 0.567 5.123 4.556 -0.001 0.000 0.293 259 H C -1.092 174.315 175.328 0.131 0.000 1.065 259 H CA -0.406 55.760 56.048 0.197 0.000 1.236 259 H CB 0.647 30.513 29.762 0.173 0.000 1.389 259 H HN 0.218 nan 8.280 nan 0.000 0.481 260 V N 7.022 126.828 119.914 -0.179 0.000 2.432 260 V HA 0.159 4.279 4.120 -0.001 0.000 0.271 260 V C 0.131 176.112 176.094 -0.190 0.000 1.046 260 V CA -0.308 61.845 62.300 -0.245 0.000 0.945 260 V CB 0.761 32.331 31.823 -0.422 0.000 0.992 260 V HN 0.544 nan 8.190 nan 0.000 0.471 264 L N 2.445 123.354 121.223 -0.524 0.000 2.209 264 L HA 0.411 4.751 4.340 -0.001 0.000 0.207 264 L C 2.189 178.715 176.870 -0.573 0.000 1.094 264 L CA 2.098 56.571 54.840 -0.612 0.000 0.790 264 L CB -1.617 40.111 42.059 -0.552 0.000 0.932 264 L HN 1.490 nan 8.230 nan 0.000 0.447 265 G N -0.245 107.979 108.800 -0.959 0.000 2.291 265 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.271 265 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.271 265 G C 1.101 175.383 174.900 -1.030 0.000 1.099 265 G CA 0.425 44.603 45.100 -1.537 0.000 0.919 265 G HN 0.818 nan 8.290 nan 0.000 0.496 266 G N -1.843 106.473 108.800 -0.806 0.000 2.175 266 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.265 266 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.265 266 G C 1.011 175.881 174.900 -0.050 0.000 0.979 266 G CA 1.738 46.791 45.100 -0.078 0.000 0.663 266 G HN 0.846 nan 8.290 nan 0.000 0.533 267 Q N -0.583 119.131 119.800 -0.143 0.000 2.178 267 Q HA 0.305 4.645 4.340 -0.001 0.000 0.197 267 Q C 1.660 177.623 176.000 -0.061 0.000 0.998 267 Q CA 0.649 56.413 55.803 -0.066 0.000 0.845 267 Q CB -0.438 28.269 28.738 -0.052 0.000 0.943 267 Q HN 0.413 nan 8.270 nan 0.000 0.514 268 V N 3.280 123.145 119.914 -0.083 0.000 2.655 268 V HA -0.042 4.078 4.120 -0.001 0.000 0.300 268 V C -0.267 175.763 176.094 -0.107 0.000 1.044 268 V CA -0.041 62.218 62.300 -0.069 0.000 1.095 268 V CB 0.575 32.366 31.823 -0.053 0.000 0.952 268 V HN 0.264 nan 8.190 nan 0.000 0.485 269 D N 6.631 126.992 120.400 -0.065 0.000 2.351 269 D HA 0.212 4.851 4.640 -0.001 0.000 0.251 269 D C -1.370 174.876 176.300 -0.089 0.000 1.137 269 D CA -1.613 52.348 54.000 -0.066 0.000 0.879 269 D CB 1.546 42.327 40.800 -0.033 0.000 1.181 269 D HN 0.281 nan 8.370 nan 0.000 0.448 270 P HA -0.197 nan 4.420 nan 0.000 0.217 270 P C 0.866 178.114 177.300 -0.087 0.000 1.148 270 P CA 1.361 64.383 63.100 -0.130 0.000 0.834 270 P CB 0.248 31.871 31.700 -0.129 0.000 0.783 271 A N -0.149 122.636 122.820 -0.059 0.000 2.015 271 A HA -0.019 4.301 4.320 -0.001 0.000 0.219 271 A C 2.216 179.782 177.584 -0.029 0.000 1.163 271 A CA 1.632 53.645 52.037 -0.039 0.000 0.646 271 A CB -1.404 17.580 19.000 -0.026 0.000 0.806 271 A HN 0.208 nan 8.150 nan 0.000 0.448 272 A N -0.453 122.351 122.820 -0.027 0.000 2.209 272 A HA 0.177 4.496 4.320 -0.001 0.000 0.212 272 A C 1.848 179.429 177.584 -0.004 0.000 1.158 272 A CA 0.907 52.937 52.037 -0.011 0.000 0.742 272 A CB -0.513 18.485 19.000 -0.004 0.000 0.790 272 A HN 0.492 nan 8.150 nan 0.000 0.472 273 L N -1.465 119.747 121.223 -0.018 0.000 2.341 273 L HA 0.242 4.581 4.340 -0.001 0.000 0.214 273 L C 1.589 178.454 176.870 -0.008 0.000 1.115 273 L CA 0.395 55.231 54.840 -0.006 0.000 0.820 273 L CB -0.956 41.087 42.059 -0.027 0.000 0.944 273 L HN 0.568 nan 8.230 nan 0.000 0.452 274 G N 0.310 109.100 108.800 -0.016 0.000 2.642 274 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.231 274 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.231 274 G C -0.713 174.175 174.900 -0.020 0.000 1.338 274 G CA -0.508 44.584 45.100 -0.014 0.000 0.883 274 G HN 0.163 nan 8.290 nan 0.000 0.570 275 D N 0.617 121.009 120.400 -0.014 0.000 2.458 275 D HA 0.433 5.073 4.640 -0.001 0.000 0.243 275 D C 0.702 176.991 176.300 -0.018 0.000 1.146 275 D CA 0.604 54.594 54.000 -0.016 0.000 0.877 275 D CB 0.659 41.453 40.800 -0.010 0.000 1.176 275 D HN 0.511 nan 8.370 nan 0.000 0.461 276 L N 3.755 124.962 121.223 -0.026 0.000 2.334 276 L HA 0.423 4.763 4.340 -0.001 0.000 0.273 276 L C -1.981 174.877 176.870 -0.020 0.000 1.013 276 L CA -1.915 52.907 54.840 -0.029 0.000 0.816 276 L CB 1.406 43.433 42.059 -0.053 0.000 1.278 276 L HN 0.146 nan 8.230 nan 0.000 0.431 277 P HA 0.095 nan 4.420 nan 0.000 0.270 277 P C -2.153 175.144 177.300 -0.005 0.000 1.227 277 P CA -0.934 62.167 63.100 0.003 0.000 0.788 277 P CB -0.072 31.641 31.700 0.022 0.000 0.926 278 P HA -0.115 nan 4.420 nan 0.000 0.222 278 P C 0.655 177.968 177.300 0.021 0.000 1.147 278 P CA 1.271 64.383 63.100 0.019 0.000 0.790 278 P CB -0.252 31.468 31.700 0.032 0.000 0.780 279 N N -0.889 117.814 118.700 0.005 0.000 2.276 279 N HA 0.046 4.785 4.740 -0.001 0.000 0.212 279 N C -0.625 174.744 175.510 -0.235 0.000 1.127 279 N CA 0.041 53.071 53.050 -0.034 0.000 0.834 279 N CB 0.151 38.684 38.487 0.076 0.000 1.014 279 N HN -0.052 nan 8.380 nan 0.000 0.491 280 V N 0.753 120.552 119.914 -0.191 0.000 2.525 280 V HA 0.308 4.428 4.120 -0.001 0.000 0.299 280 V C -0.274 175.711 176.094 -0.182 0.000 1.034 280 V CA -0.847 61.327 62.300 -0.209 0.000 0.863 280 V CB 1.944 33.703 31.823 -0.108 0.000 0.999 280 V HN 0.109 nan 8.190 nan 0.000 0.423 281 E N 2.646 122.734 120.200 -0.187 0.000 2.250 281 E HA 0.858 5.208 4.350 -0.001 0.000 0.265 281 E C -0.383 176.095 176.600 -0.204 0.000 1.033 281 E CA -0.801 55.517 56.400 -0.137 0.000 0.888 281 E CB 2.265 32.008 29.700 0.071 0.000 1.151 281 E HN 0.808 nan 8.360 nan 0.000 0.412 282 A N 2.303 124.896 122.820 -0.378 0.000 2.429 282 A HA 0.460 4.780 4.320 -0.001 0.000 0.289 282 A C -1.454 175.806 177.584 -0.539 0.000 1.043 282 A CA -0.704 51.115 52.037 -0.363 0.000 0.722 282 A CB 0.929 19.769 19.000 -0.267 0.000 1.243 282 A HN 0.604 nan 8.150 nan 0.000 0.415 283 H N 1.251 120.238 119.070 -0.137 0.000 2.768 283 H HA 0.397 4.952 4.556 -0.001 0.000 0.371 283 H C 0.623 175.831 175.328 -0.200 0.000 1.151 283 H CA -0.653 55.335 56.048 -0.101 0.000 1.165 283 H CB 2.076 31.825 29.762 -0.022 0.000 1.722 283 H HN 0.787 nan 8.280 nan 0.000 0.543 284 R N 0.881 121.362 120.500 -0.033 0.000 2.073 284 R HA -0.105 4.235 4.340 -0.001 0.000 0.234 284 R C -0.290 175.720 176.300 -0.483 0.000 1.134 284 R CA 1.795 57.760 56.100 -0.225 0.000 0.952 284 R CB 0.259 30.567 30.300 0.013 0.000 0.850 284 R HN 0.443 nan 8.270 nan 0.000 0.433 285 W N -0.792 120.522 121.300 0.023 0.000 3.439 285 W HA 0.409 5.069 4.660 -0.001 0.000 0.323 285 W C -1.305 175.179 176.519 -0.058 0.000 1.174 285 W CA -0.874 56.457 57.345 -0.023 0.000 1.224 285 W CB 1.510 30.942 29.460 -0.047 0.000 1.348 285 W HN -0.250 nan 8.180 nan 0.000 0.498 286 V N 0.196 120.183 119.914 0.122 0.000 3.049 286 V HA 0.748 4.867 4.120 -0.001 0.000 0.309 286 V C -2.863 173.245 176.094 0.022 0.000 1.148 286 V CA -3.354 58.932 62.300 -0.024 0.000 0.990 286 V CB 1.988 33.660 31.823 -0.251 0.000 1.039 286 V HN 0.301 nan 8.190 nan 0.000 0.430 287 P HA 0.248 nan 4.420 nan 0.000 0.264 287 P C 0.661 177.929 177.300 -0.052 0.000 1.236 287 P CA 0.388 63.441 63.100 -0.077 0.000 0.811 287 P CB -0.153 31.477 31.700 -0.118 0.000 0.840 288 H N 1.437 120.394 119.070 -0.187 0.000 2.357 288 H HA -0.153 4.402 4.556 -0.001 0.000 0.296 288 H C 1.826 176.991 175.328 -0.272 0.000 1.108 288 H CA 0.833 56.748 56.048 -0.222 0.000 1.273 288 H CB -0.069 29.606 29.762 -0.145 0.000 1.367 288 H HN 0.197 nan 8.280 nan 0.000 0.498 289 V N 1.336 121.163 119.914 -0.145 0.000 2.469 289 V HA -0.243 3.877 4.120 -0.001 0.000 0.251 289 V C 1.960 177.917 176.094 -0.228 0.000 1.064 289 V CA 1.799 63.933 62.300 -0.276 0.000 1.066 289 V CB -0.275 31.296 31.823 -0.420 0.000 0.667 289 V HN 0.364 nan 8.190 nan 0.000 0.461 290 K N -1.015 119.272 120.400 -0.189 0.000 2.211 290 K HA 0.029 4.348 4.320 -0.001 0.000 0.201 290 K C 1.918 178.372 176.600 -0.243 0.000 1.052 290 K CA 1.131 57.340 56.287 -0.129 0.000 0.973 290 K CB 0.048 32.566 32.500 0.029 0.000 0.766 290 K HN 0.454 nan 8.250 nan 0.000 0.466 291 V N 2.060 121.648 119.914 -0.544 0.000 2.358 291 V HA -0.202 3.918 4.120 -0.001 0.000 0.246 291 V C 2.246 178.007 176.094 -0.554 0.000 1.047 291 V CA 1.440 63.149 62.300 -0.985 0.000 1.035 291 V CB -0.453 30.729 31.823 -1.067 0.000 0.658 291 V HN 0.231 nan 8.190 nan 0.000 0.452 292 L N 0.059 121.025 121.223 -0.429 0.000 2.191 292 L HA -0.187 4.153 4.340 -0.001 0.000 0.212 292 L C 2.567 179.087 176.870 -0.583 0.000 1.103 292 L CA 1.661 56.297 54.840 -0.339 0.000 0.769 292 L CB -0.496 41.475 42.059 -0.148 0.000 0.908 292 L HN 0.457 nan 8.230 nan 0.000 0.438 293 E N -0.100 119.563 120.200 -0.896 0.000 2.150 293 E HA -0.209 4.141 4.350 -0.001 0.000 0.193 293 E C 1.611 177.857 176.600 -0.590 0.000 0.985 293 E CA 0.916 56.511 56.400 -1.342 0.000 0.814 293 E CB 0.285 29.306 29.700 -1.131 0.000 0.752 293 E HN 0.460 nan 8.360 nan 0.000 0.466 294 Q N -0.472 119.164 119.800 -0.274 0.000 2.247 294 Q HA 0.287 4.626 4.340 -0.001 0.000 0.211 294 Q C 0.123 176.119 176.000 -0.007 0.000 0.861 294 Q CA 0.212 55.985 55.803 -0.052 0.000 0.949 294 Q CB 1.231 30.072 28.738 0.172 0.000 1.115 294 Q HN 0.167 nan 8.270 nan 0.000 0.507 295 A N 0.201 122.973 122.820 -0.080 0.000 2.259 295 A HA 0.472 4.791 4.320 -0.001 0.000 0.278 295 A C 0.846 178.459 177.584 0.048 0.000 1.107 295 A CA -0.022 52.003 52.037 -0.020 0.000 0.828 295 A CB 0.639 19.582 19.000 -0.095 0.000 1.111 295 A HN 0.090 nan 8.150 nan 0.000 0.498 296 T N -1.234 113.381 114.554 0.101 0.000 2.989 296 T HA 0.322 4.672 4.350 -0.001 0.000 0.250 296 T C -0.257 174.526 174.700 0.140 0.000 0.981 296 T CA 0.535 62.726 62.100 0.152 0.000 0.980 296 T CB 0.356 69.375 68.868 0.251 0.000 1.133 296 T HN 0.410 nan 8.240 nan 0.000 0.489 297 V N 0.956 120.927 119.914 0.095 0.000 2.808 297 V HA 0.469 4.589 4.120 -0.001 0.000 0.308 297 V C -1.076 175.003 176.094 -0.025 0.000 1.099 297 V CA -1.460 60.859 62.300 0.031 0.000 0.920 297 V CB 2.071 33.880 31.823 -0.023 0.000 1.014 297 V HN 0.400 nan 8.190 nan 0.000 0.425 298 C N 5.755 125.041 119.300 -0.023 0.000 2.281 298 C HA 0.779 5.239 4.460 -0.001 0.000 0.325 298 C C -0.128 174.837 174.990 -0.042 0.000 1.282 298 C CA -0.193 58.795 59.018 -0.050 0.000 1.640 298 C CB 0.083 27.806 27.740 -0.029 0.000 2.288 298 C HN 0.702 nan 8.230 nan 0.000 0.507 299 V N 6.591 126.469 119.914 -0.059 0.000 2.350 299 V HA 0.686 4.805 4.120 -0.001 0.000 0.276 299 V C 0.431 176.540 176.094 0.025 0.000 1.028 299 V CA 0.160 62.451 62.300 -0.014 0.000 0.860 299 V CB 1.418 33.227 31.823 -0.024 0.000 0.990 299 V HN 0.998 nan 8.190 nan 0.000 0.453 300 T N 2.243 116.825 114.554 0.046 0.000 2.853 300 T HA 0.320 4.670 4.350 -0.001 0.000 0.311 300 T C 0.811 175.552 174.700 0.069 0.000 1.307 300 T CA -0.400 61.753 62.100 0.089 0.000 1.019 300 T CB 1.392 70.294 68.868 0.057 0.000 1.264 300 T HN 0.860 nan 8.240 nan 0.000 0.497 301 H N 1.427 120.473 119.070 -0.041 0.000 2.495 301 H HA 0.224 4.780 4.556 -0.000 0.000 0.287 301 H C 1.373 176.690 175.328 -0.018 0.000 1.033 301 H CA 1.537 57.540 56.048 -0.075 0.000 1.307 301 H CB -0.175 29.528 29.762 -0.098 0.000 1.401 301 H HN 1.113 nan 8.280 nan 0.000 0.555 302 G N -0.255 108.198 108.800 -0.577 0.000 2.234 302 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.153 302 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.153 302 G C 0.754 175.398 174.900 -0.427 0.000 1.013 302 G CA 0.090 44.978 45.100 -0.353 0.000 0.712 302 G HN 0.823 nan 8.290 nan 0.000 0.491 306 T N 2.506 117.087 114.554 0.045 0.000 2.720 306 T HA 0.113 4.463 4.350 -0.001 0.000 0.268 306 T C 1.605 176.323 174.700 0.030 0.000 1.037 306 T CA 0.739 62.901 62.100 0.103 0.000 1.144 306 T CB -0.303 68.693 68.868 0.212 0.000 0.864 306 T HN 0.128 nan 8.240 nan 0.000 0.444 310 A N 1.240 124.138 122.820 0.129 0.000 1.898 310 A HA 0.050 4.370 4.320 -0.001 0.000 0.214 310 A C 2.041 179.725 177.584 0.166 0.000 1.183 310 A CA 0.828 52.958 52.037 0.154 0.000 0.622 310 A CB -0.445 18.591 19.000 0.060 0.000 0.824 310 A HN 0.124 nan 8.150 nan 0.000 0.444 311 L N -1.909 119.358 121.223 0.074 0.000 2.201 311 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 311 L C 2.491 179.395 176.870 0.057 0.000 1.105 311 L CA 1.339 56.198 54.840 0.031 0.000 0.775 311 L CB -0.608 41.401 42.059 -0.083 0.000 0.913 311 L HN 0.583 nan 8.230 nan 0.000 0.440 312 Y N -0.331 119.947 120.300 -0.037 0.000 2.256 312 Y HA -0.268 4.281 4.550 -0.000 0.000 0.288 312 Y C 1.452 177.178 175.900 -0.289 0.000 1.155 312 Y CA 1.612 59.614 58.100 -0.164 0.000 1.203 312 Y CB -0.129 38.248 38.460 -0.138 0.000 0.980 312 Y HN 0.114 nan 8.280 nan 0.000 0.530 313 W N -0.067 121.349 121.300 0.193 0.000 3.223 313 W HA 0.383 5.043 4.660 0.000 0.000 0.389 313 W C 1.336 177.881 176.519 0.043 0.000 1.118 313 W CA 0.301 57.715 57.345 0.114 0.000 1.902 313 W CB 0.078 29.622 29.460 0.141 0.000 1.094 313 W HN 0.134 nan 8.180 nan 0.000 0.666 314 G N 2.098 110.993 108.800 0.157 0.000 2.356 314 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.296 314 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.296 314 G C 0.153 175.127 174.900 0.123 0.000 1.022 314 G CA -0.409 44.752 45.100 0.102 0.000 0.961 314 G HN 0.040 nan 8.290 nan 0.000 0.510 315 R N -0.012 120.569 120.500 0.136 0.000 2.254 315 R HA 0.400 4.739 4.340 -0.001 0.000 0.318 315 R C -2.293 174.051 176.300 0.074 0.000 1.031 315 R CA -2.591 53.573 56.100 0.108 0.000 0.905 315 R CB 0.488 30.851 30.300 0.105 0.000 1.050 315 R HN 0.131 nan 8.270 nan 0.000 0.456 316 P HA 0.037 nan 4.420 nan 0.000 0.267 316 P C -0.381 176.943 177.300 0.040 0.000 1.201 316 P CA 0.217 63.351 63.100 0.057 0.000 0.775 316 P CB 0.522 32.261 31.700 0.066 0.000 0.854 317 L N 1.671 122.915 121.223 0.035 0.000 2.362 317 L HA 0.528 4.868 4.340 -0.001 0.000 0.271 317 L C -0.571 176.311 176.870 0.021 0.000 1.002 317 L CA -1.081 53.773 54.840 0.024 0.000 0.818 317 L CB 2.190 44.267 42.059 0.031 0.000 1.298 317 L HN 0.020 nan 8.230 nan 0.000 0.420 318 V N 3.381 123.301 119.914 0.011 0.000 2.350 318 V HA 0.336 4.455 4.120 -0.001 0.000 0.285 318 V C -0.127 175.982 176.094 0.025 0.000 1.014 318 V CA -0.660 61.651 62.300 0.018 0.000 0.831 318 V CB 1.813 33.642 31.823 0.011 0.000 1.000 318 V HN 0.408 nan 8.190 nan 0.000 0.433 319 V N 5.455 125.386 119.914 0.028 0.000 2.407 319 V HA 0.367 4.487 4.120 -0.001 0.000 0.278 319 V C 0.227 176.331 176.094 0.017 0.000 1.037 319 V CA -0.394 61.918 62.300 0.021 0.000 0.900 319 V CB 1.796 33.637 31.823 0.029 0.000 0.983 319 V HN 0.607 nan 8.190 nan 0.000 0.459 320 V N 8.233 128.150 119.914 0.004 0.000 2.326 320 V HA 0.430 4.549 4.120 -0.001 0.000 0.254 320 V C -2.402 173.653 176.094 -0.065 0.000 1.022 320 V CA -2.130 60.156 62.300 -0.023 0.000 1.074 320 V CB 1.303 33.113 31.823 -0.021 0.000 1.305 320 V HN 0.783 nan 8.190 nan 0.000 0.506 321 P HA 0.241 nan 4.420 nan 0.000 0.267 321 P C -0.087 177.162 177.300 -0.085 0.000 1.205 321 P CA 0.264 63.339 63.100 -0.042 0.000 0.765 321 P CB 0.662 32.345 31.700 -0.029 0.000 0.828 322 Q N 0.212 119.945 119.800 -0.111 0.000 2.164 322 Q HA 0.195 4.534 4.340 -0.001 0.000 0.226 322 Q C -0.085 175.772 176.000 -0.238 0.000 0.813 322 Q CA 0.254 55.961 55.803 -0.160 0.000 0.978 322 Q CB 0.538 29.163 28.738 -0.188 0.000 1.149 322 Q HN 0.584 nan 8.270 nan 0.000 0.489 323 S N -0.902 114.624 115.700 -0.290 0.000 2.550 323 S HA 0.366 4.835 4.470 -0.001 0.000 0.270 323 S C 0.534 174.885 174.600 -0.415 0.000 1.145 323 S CA -0.874 56.998 58.200 -0.547 0.000 0.852 323 S CB 0.197 62.659 63.200 -1.231 0.000 1.119 323 S HN 0.148 nan 8.310 nan 0.000 0.465 324 F N 1.590 121.321 119.950 -0.364 0.000 2.192 324 F HA -0.118 4.408 4.527 -0.001 0.000 0.301 324 F C 1.906 177.632 175.800 -0.124 0.000 1.079 324 F CA 1.752 59.623 58.000 -0.215 0.000 1.303 324 F CB -0.836 38.021 39.000 -0.238 0.000 1.024 324 F HN 0.698 nan 8.300 nan 0.000 0.494 325 D N 1.787 121.499 120.400 -1.147 0.000 2.219 325 D HA -0.158 4.482 4.640 -0.001 0.000 0.205 325 D C 1.735 177.981 176.300 -0.090 0.000 0.970 325 D CA 1.763 55.389 54.000 -0.625 0.000 0.851 325 D CB -0.936 39.488 40.800 -0.626 0.000 0.943 325 D HN 0.473 nan 8.370 nan 0.000 0.488 326 V N -3.074 116.791 119.914 -0.081 0.000 3.542 326 V HA 0.189 4.308 4.120 -0.001 0.000 0.296 326 V C 2.169 178.303 176.094 0.067 0.000 1.364 326 V CA -0.062 62.255 62.300 0.029 0.000 1.118 326 V CB -0.258 31.536 31.823 -0.049 0.000 0.972 326 V HN -0.059 nan 8.190 nan 0.000 0.430 327 Q N 1.099 120.937 119.800 0.065 0.000 2.079 327 Q HA 0.088 4.427 4.340 -0.001 0.000 0.200 327 Q C -1.121 174.968 176.000 0.148 0.000 0.974 327 Q CA 1.211 57.063 55.803 0.082 0.000 0.840 327 Q CB -0.767 28.011 28.738 0.066 0.000 0.898 327 Q HN 0.608 nan 8.270 nan 0.000 0.430 331 R N 0.231 120.776 120.500 0.074 0.000 2.081 331 R HA -0.139 4.200 4.340 -0.001 0.000 0.235 331 R C 2.202 178.502 176.300 -0.000 0.000 1.131 331 R CA 2.139 58.257 56.100 0.029 0.000 0.960 331 R CB -0.174 30.135 30.300 0.014 0.000 0.856 331 R HN 0.359 nan 8.270 nan 0.000 0.436 332 R N 0.193 120.688 120.500 -0.009 0.000 2.066 332 R HA -0.035 4.305 4.340 -0.001 0.000 0.232 332 R C 2.049 178.348 176.300 -0.002 0.000 1.131 332 R CA 1.627 57.658 56.100 -0.116 0.000 0.955 332 R CB -0.807 29.319 30.300 -0.291 0.000 0.851 332 R HN 0.134 nan 8.270 nan 0.000 0.432 333 V N 1.369 121.379 119.914 0.161 0.000 2.392 333 V HA -0.246 3.873 4.120 -0.001 0.000 0.249 333 V C 1.923 178.090 176.094 0.123 0.000 1.059 333 V CA 2.314 64.757 62.300 0.239 0.000 1.051 333 V CB -0.643 31.320 31.823 0.234 0.000 0.658 333 V HN 0.450 nan 8.190 nan 0.000 0.455 334 D N -0.477 119.969 120.400 0.076 0.000 2.117 334 D HA -0.176 4.463 4.640 -0.001 0.000 0.198 334 D C 2.259 178.577 176.300 0.030 0.000 0.982 334 D CA 1.373 55.401 54.000 0.047 0.000 0.828 334 D CB -0.094 40.725 40.800 0.032 0.000 0.967 334 D HN 0.518 nan 8.370 nan 0.000 0.464 335 Q N -0.663 119.143 119.800 0.010 0.000 2.167 335 Q HA 0.011 4.350 4.340 -0.001 0.000 0.202 335 Q C 1.913 177.914 176.000 0.002 0.000 0.970 335 Q CA 0.657 56.454 55.803 -0.011 0.000 0.855 335 Q CB 0.110 28.818 28.738 -0.049 0.000 0.911 335 Q HN 0.352 nan 8.270 nan 0.000 0.438 336 L N -0.611 120.628 121.223 0.027 0.000 2.592 336 L HA 0.203 4.542 4.340 -0.001 0.000 0.227 336 L C 0.912 177.819 176.870 0.061 0.000 1.127 336 L CA 0.060 54.929 54.840 0.049 0.000 0.884 336 L CB -0.032 42.085 42.059 0.098 0.000 1.065 336 L HN 0.275 nan 8.230 nan 0.000 0.457 337 G N 0.857 109.689 108.800 0.054 0.000 2.323 337 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.292 337 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.292 337 G C 0.639 175.578 174.900 0.064 0.000 1.040 337 G CA 0.338 45.469 45.100 0.051 0.000 0.942 337 G HN 0.406 nan 8.290 nan 0.000 0.506 338 L N -0.728 120.545 121.223 0.084 0.000 2.567 338 L HA 0.476 4.816 4.340 -0.001 0.000 0.225 338 L C 1.494 178.407 176.870 0.071 0.000 1.119 338 L CA 0.619 55.511 54.840 0.087 0.000 0.871 338 L CB 0.023 42.156 42.059 0.123 0.000 1.036 338 L HN 0.660 nan 8.230 nan 0.000 0.459 339 G N -0.690 108.149 108.800 0.064 0.000 2.349 339 G HA2 0.536 4.496 3.960 -0.001 0.000 0.294 339 G HA3 0.536 4.496 3.960 -0.001 0.000 0.294 339 G C -1.939 172.987 174.900 0.044 0.000 1.380 339 G CA -0.120 45.011 45.100 0.051 0.000 0.811 339 G HN -0.045 nan 8.290 nan 0.000 0.519 340 A N -0.852 121.989 122.820 0.035 0.000 2.304 340 A HA 0.817 5.136 4.320 -0.001 0.000 0.301 340 A C 0.273 177.875 177.584 0.031 0.000 1.132 340 A CA 0.003 52.057 52.037 0.030 0.000 0.819 340 A CB 1.063 20.077 19.000 0.023 0.000 1.094 340 A HN 2.196 nan 8.150 nan 0.000 0.492 341 V N 0.543 120.474 119.914 0.028 0.000 2.487 341 V HA 0.735 4.855 4.120 -0.001 0.000 0.298 341 V C -0.778 175.329 176.094 0.021 0.000 1.028 341 V CA -0.582 61.734 62.300 0.027 0.000 0.860 341 V CB 0.923 32.764 31.823 0.029 0.000 0.991 341 V HN 0.641 nan 8.190 nan 0.000 0.427 342 L N 5.839 127.075 121.223 0.021 0.000 2.384 342 L HA 0.520 4.859 4.340 -0.001 0.000 0.261 342 L C -2.591 174.285 176.870 0.010 0.000 1.024 342 L CA -1.623 53.230 54.840 0.020 0.000 0.899 342 L CB 1.715 43.794 42.059 0.034 0.000 1.243 342 L HN 0.426 nan 8.230 nan 0.000 0.449 343 P HA 0.131 nan 4.420 nan 0.000 0.271 343 P C 0.996 178.285 177.300 -0.019 0.000 1.226 343 P CA 0.528 63.620 63.100 -0.012 0.000 0.765 343 P CB 1.343 33.039 31.700 -0.007 0.000 0.835 344 G N 4.229 113.004 108.800 -0.042 0.000 2.692 344 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.339 344 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.339 344 G C 1.275 176.164 174.900 -0.020 0.000 1.226 344 G CA 0.419 45.490 45.100 -0.048 0.000 0.979 344 G HN 0.476 nan 8.290 nan 0.000 0.549 345 E N 0.771 120.967 120.200 -0.008 0.000 2.153 345 E HA -0.105 4.244 4.350 -0.001 0.000 0.194 345 E C 2.559 179.170 176.600 0.018 0.000 0.988 345 E CA 1.270 57.674 56.400 0.007 0.000 0.811 345 E CB -0.203 29.499 29.700 0.004 0.000 0.746 345 E HN 0.488 nan 8.360 nan 0.000 0.466 346 K N 0.280 120.688 120.400 0.013 0.000 2.442 346 K HA -0.076 4.243 4.320 -0.001 0.000 0.199 346 K C 1.034 177.654 176.600 0.034 0.000 1.044 346 K CA 0.533 56.831 56.287 0.018 0.000 0.941 346 K CB -0.169 32.338 32.500 0.013 0.000 0.759 346 K HN -0.023 nan 8.250 nan 0.000 0.472 347 A N 2.946 125.799 122.820 0.055 0.000 3.202 347 A HA 0.109 4.429 4.320 -0.001 0.000 0.258 347 A C -0.528 177.141 177.584 0.141 0.000 1.572 347 A CA -0.730 51.374 52.037 0.112 0.000 1.241 347 A CB -0.754 18.330 19.000 0.139 0.000 1.127 347 A HN 0.268 nan 8.150 nan 0.000 0.648 348 D N -1.248 119.190 120.400 0.064 0.000 2.387 348 D HA 0.433 5.073 4.640 -0.001 0.000 0.251 348 D C 1.364 177.654 176.300 -0.017 0.000 1.141 348 D CA 0.034 54.048 54.000 0.023 0.000 0.987 348 D CB 0.522 41.325 40.800 0.006 0.000 1.116 348 D HN -0.010 nan 8.370 nan 0.000 0.491 349 G N -0.329 108.435 108.800 -0.061 0.000 2.442 349 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.219 349 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.219 349 G C 0.995 175.851 174.900 -0.074 0.000 1.141 349 G CA 0.665 45.726 45.100 -0.065 0.000 0.763 349 G HN 0.516 nan 8.290 nan 0.000 0.554 350 D N 0.256 120.614 120.400 -0.071 0.000 2.097 350 D HA -0.057 4.583 4.640 -0.001 0.000 0.197 350 D C 2.694 178.944 176.300 -0.082 0.000 0.984 350 D CA 1.448 55.394 54.000 -0.089 0.000 0.826 350 D CB -0.563 40.201 40.800 -0.059 0.000 0.973 350 D HN 0.227 nan 8.370 nan 0.000 0.460 351 T N 1.267 115.794 114.554 -0.044 0.000 2.951 351 T HA -0.074 4.275 4.350 -0.001 0.000 0.268 351 T C 1.911 176.596 174.700 -0.025 0.000 1.073 351 T CA 0.191 62.274 62.100 -0.028 0.000 1.134 351 T CB -0.122 68.743 68.868 -0.005 0.000 0.884 351 T HN -0.008 nan 8.240 nan 0.000 0.479 352 L N 1.106 122.323 121.223 -0.011 0.000 2.093 352 L HA 0.101 4.441 4.340 -0.001 0.000 0.208 352 L C 2.075 178.931 176.870 -0.023 0.000 1.085 352 L CA 1.241 56.099 54.840 0.031 0.000 0.755 352 L CB -0.676 41.439 42.059 0.092 0.000 0.904 352 L HN 0.168 nan 8.230 nan 0.000 0.435 353 L N -0.373 120.733 121.223 -0.194 0.000 2.017 353 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 353 L C 2.472 179.182 176.870 -0.266 0.000 1.073 353 L CA 2.098 56.636 54.840 -0.503 0.000 0.745 353 L CB -1.106 40.578 42.059 -0.625 0.000 0.894 353 L HN 0.233 nan 8.230 nan 0.000 0.432 354 A N -0.375 122.359 122.820 -0.143 0.000 1.877 354 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 354 A C 2.467 180.026 177.584 -0.042 0.000 1.186 354 A CA 1.878 53.876 52.037 -0.065 0.000 0.620 354 A CB -1.258 17.718 19.000 -0.041 0.000 0.822 354 A HN 0.590 nan 8.150 nan 0.000 0.443 355 A N -0.510 122.284 122.820 -0.042 0.000 1.865 355 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 355 A C 2.251 179.808 177.584 -0.046 0.000 1.191 355 A CA 1.943 53.966 52.037 -0.023 0.000 0.623 355 A CB -1.181 17.815 19.000 -0.008 0.000 0.826 355 A HN 0.425 nan 8.150 nan 0.000 0.444 356 V N -0.124 119.725 119.914 -0.109 0.000 2.282 356 V HA -0.263 3.857 4.120 -0.001 0.000 0.249 356 V C 2.792 178.755 176.094 -0.219 0.000 1.057 356 V CA 2.308 64.463 62.300 -0.242 0.000 1.032 356 V CB -1.375 30.181 31.823 -0.445 0.000 0.645 356 V HN 0.656 nan 8.190 nan 0.000 0.447 357 G N -1.160 107.582 108.800 -0.098 0.000 2.408 357 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.217 357 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.217 357 G C 1.741 176.745 174.900 0.174 0.000 1.150 357 G CA 0.970 46.225 45.100 0.257 0.000 0.776 357 G HN 0.630 nan 8.290 nan 0.000 0.542 358 A N 0.684 123.551 122.820 0.078 0.000 1.873 358 A HA 0.049 4.369 4.320 -0.001 0.000 0.215 358 A C 2.657 180.283 177.584 0.069 0.000 1.186 358 A CA 2.389 54.465 52.037 0.065 0.000 0.616 358 A CB -0.816 18.205 19.000 0.036 0.000 0.823 358 A HN 0.896 nan 8.150 nan 0.000 0.442 359 V N -2.953 116.995 119.914 0.055 0.000 2.809 359 V HA 0.150 4.270 4.120 -0.001 0.000 0.256 359 V C 2.284 178.430 176.094 0.087 0.000 1.080 359 V CA 1.561 63.895 62.300 0.058 0.000 1.102 359 V CB -1.020 30.826 31.823 0.038 0.000 0.705 359 V HN 0.477 nan 8.190 nan 0.000 0.475 360 A N 0.340 123.239 122.820 0.132 0.000 2.067 360 A HA 0.537 4.857 4.320 -0.001 0.000 0.217 360 A C 2.133 179.806 177.584 0.148 0.000 1.156 360 A CA 1.271 53.420 52.037 0.186 0.000 0.683 360 A CB -0.401 18.818 19.000 0.364 0.000 0.808 360 A HN 1.042 nan 8.150 nan 0.000 0.455 361 A N -0.917 121.979 122.820 0.127 0.000 2.503 361 A HA 0.309 4.628 4.320 -0.001 0.000 0.263 361 A C 0.092 177.717 177.584 0.069 0.000 1.258 361 A CA -0.001 52.093 52.037 0.095 0.000 0.936 361 A CB 0.020 19.078 19.000 0.096 0.000 1.070 361 A HN 0.234 nan 8.150 nan 0.000 0.522 362 D N 1.026 121.465 120.400 0.066 0.000 2.396 362 D HA 0.246 4.885 4.640 -0.001 0.000 0.225 362 D C -1.521 174.807 176.300 0.047 0.000 1.121 362 D CA -1.963 52.068 54.000 0.051 0.000 0.853 362 D CB 1.681 42.510 40.800 0.048 0.000 1.043 362 D HN 0.077 nan 8.370 nan 0.000 0.500 363 P HA -0.154 nan 4.420 nan 0.000 0.216 363 P C 1.091 178.411 177.300 0.033 0.000 1.153 363 P CA 0.928 64.049 63.100 0.035 0.000 0.848 363 P CB 0.329 32.047 31.700 0.029 0.000 0.787 364 A N 0.508 123.346 122.820 0.031 0.000 1.845 364 A HA -0.174 4.146 4.320 -0.001 0.000 0.215 364 A C 2.451 180.055 177.584 0.034 0.000 1.195 364 A CA 1.754 53.808 52.037 0.029 0.000 0.616 364 A CB -1.760 17.256 19.000 0.026 0.000 0.832 364 A HN 0.200 nan 8.150 nan 0.000 0.443 365 L N -0.396 120.850 121.223 0.038 0.000 2.013 365 L HA -0.208 4.132 4.340 -0.001 0.000 0.212 365 L C 2.422 179.320 176.870 0.046 0.000 1.073 365 L CA 1.786 56.652 54.840 0.044 0.000 0.753 365 L CB -0.270 41.816 42.059 0.046 0.000 0.890 365 L HN 0.451 nan 8.230 nan 0.000 0.432 366 L N -0.473 120.779 121.223 0.047 0.000 2.131 366 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 366 L C 2.796 179.690 176.870 0.040 0.000 1.092 366 L CA 1.022 55.891 54.840 0.048 0.000 0.759 366 L CB -0.850 41.240 42.059 0.051 0.000 0.903 366 L HN 0.389 nan 8.230 nan 0.000 0.435 367 A N 0.176 123.017 122.820 0.035 0.000 1.902 367 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 367 A C 2.417 180.020 177.584 0.032 0.000 1.181 367 A CA 1.471 53.525 52.037 0.028 0.000 0.623 367 A CB -0.420 18.595 19.000 0.025 0.000 0.818 367 A HN 0.319 nan 8.150 nan 0.000 0.443 368 R N -0.799 119.725 120.500 0.040 0.000 2.075 368 R HA -0.056 4.284 4.340 -0.001 0.000 0.232 368 R C 2.040 178.374 176.300 0.057 0.000 1.126 368 R CA 1.389 57.519 56.100 0.050 0.000 0.963 368 R CB -0.512 29.820 30.300 0.053 0.000 0.858 368 R HN 0.391 nan 8.270 nan 0.000 0.435 369 V N 1.044 120.989 119.914 0.052 0.000 2.358 369 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 369 V C 2.201 178.317 176.094 0.036 0.000 1.047 369 V CA 1.982 64.312 62.300 0.050 0.000 1.035 369 V CB -0.389 31.466 31.823 0.053 0.000 0.658 369 V HN 0.297 nan 8.190 nan 0.000 0.452 370 E N 0.706 120.923 120.200 0.028 0.000 2.110 370 E HA -0.050 4.300 4.350 -0.001 0.000 0.193 370 E C 1.257 177.847 176.600 -0.017 0.000 0.988 370 E CA 0.929 57.334 56.400 0.007 0.000 0.804 370 E CB -0.274 29.431 29.700 0.009 0.000 0.745 370 E HN 0.658 nan 8.360 nan 0.000 0.458 374 G N 1.311 110.022 108.800 -0.148 0.000 2.446 374 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.217 374 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.217 374 G C 1.079 175.855 174.900 -0.207 0.000 1.168 374 G CA 1.272 46.242 45.100 -0.216 0.000 0.771 374 G HN 0.314 nan 8.290 nan 0.000 0.551 375 H N 0.085 119.122 119.070 -0.054 0.000 2.353 375 H HA -0.040 4.516 4.556 -0.001 0.000 0.300 375 H C 2.894 178.200 175.328 -0.038 0.000 1.090 375 H CA 1.326 57.351 56.048 -0.037 0.000 1.327 375 H CB -0.541 29.211 29.762 -0.018 0.000 1.383 375 H HN 0.198 nan 8.280 nan 0.000 0.508 376 V N 1.660 121.614 119.914 0.066 0.000 2.332 376 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 376 V C 2.625 178.706 176.094 -0.021 0.000 1.055 376 V CA 1.597 63.916 62.300 0.032 0.000 1.038 376 V CB -0.289 31.540 31.823 0.011 0.000 0.651 376 V HN 0.305 nan 8.190 nan 0.000 0.450 377 R N 0.288 120.700 120.500 -0.145 0.000 2.096 377 R HA -0.045 4.294 4.340 -0.001 0.000 0.235 377 R C 2.282 178.537 176.300 -0.075 0.000 1.127 377 R CA 1.155 57.144 56.100 -0.186 0.000 0.968 377 R CB -0.661 29.480 30.300 -0.265 0.000 0.861 377 R HN 0.506 nan 8.270 nan 0.000 0.440 378 R N 0.305 120.778 120.500 -0.045 0.000 2.235 378 R HA 0.085 4.425 4.340 -0.001 0.000 0.213 378 R C 2.056 178.370 176.300 0.024 0.000 1.059 378 R CA 0.738 56.832 56.100 -0.011 0.000 0.997 378 R CB -0.192 30.108 30.300 0.001 0.000 0.884 378 R HN 0.151 nan 8.270 nan 0.000 0.462 379 A N 0.413 123.258 122.820 0.041 0.000 1.940 379 A HA -0.080 4.239 4.320 -0.001 0.000 0.219 379 A C 1.828 179.441 177.584 0.048 0.000 1.176 379 A CA 1.953 54.028 52.037 0.064 0.000 0.631 379 A CB -0.427 18.625 19.000 0.087 0.000 0.814 379 A HN 0.480 nan 8.150 nan 0.000 0.446 380 G N -3.400 105.419 108.800 0.032 0.000 2.259 380 G HA2 0.192 4.152 3.960 -0.001 0.000 0.217 380 G HA3 0.192 4.152 3.960 -0.001 0.000 0.217 380 G C 1.697 176.607 174.900 0.016 0.000 1.001 380 G CA 0.694 45.806 45.100 0.020 0.000 0.627 380 G HN 2.213 nan 8.290 nan 0.000 0.501 381 G N 0.430 109.246 108.800 0.027 0.000 2.594 381 G HA2 0.100 4.059 3.960 -0.001 0.000 0.297 381 G HA3 0.100 4.059 3.960 -0.001 0.000 0.297 381 G C 1.592 176.512 174.900 0.033 0.000 1.273 381 G CA 2.437 47.550 45.100 0.022 0.000 0.974 381 G HN 1.963 nan 8.290 nan 0.000 0.552 382 A N -0.752 122.078 122.820 0.017 0.000 1.940 382 A HA 0.248 4.568 4.320 -0.001 0.000 0.219 382 A C 3.034 180.635 177.584 0.028 0.000 1.176 382 A CA 3.572 55.632 52.037 0.039 0.000 0.631 382 A CB -1.048 17.962 19.000 0.017 0.000 0.814 382 A HN 2.282 nan 8.150 nan 0.000 0.446 383 A N -0.381 122.448 122.820 0.015 0.000 1.902 383 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 383 A C 2.271 179.864 177.584 0.015 0.000 1.181 383 A CA 1.753 53.800 52.037 0.017 0.000 0.623 383 A CB -0.468 18.540 19.000 0.012 0.000 0.818 383 A HN 0.548 nan 8.150 nan 0.000 0.443 384 R N -0.593 119.913 120.500 0.010 0.000 2.115 384 R HA 0.007 4.347 4.340 -0.001 0.000 0.226 384 R C 2.255 178.547 176.300 -0.014 0.000 1.100 384 R CA 1.149 57.251 56.100 0.003 0.000 0.980 384 R CB -0.328 29.976 30.300 0.005 0.000 0.875 384 R HN 0.448 nan 8.270 nan 0.000 0.445 385 A N 0.892 123.703 122.820 -0.016 0.000 1.877 385 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 385 A C 2.339 179.902 177.584 -0.035 0.000 1.186 385 A CA 1.658 53.669 52.037 -0.043 0.000 0.620 385 A CB -0.797 18.196 19.000 -0.012 0.000 0.822 385 A HN 0.491 nan 8.150 nan 0.000 0.443 386 A N -0.184 122.634 122.820 -0.005 0.000 1.933 386 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 386 A C 1.748 179.333 177.584 0.003 0.000 1.175 386 A CA 1.890 53.927 52.037 -0.001 0.000 0.628 386 A CB -0.583 18.436 19.000 0.033 0.000 0.814 386 A HN 0.468 nan 8.150 nan 0.000 0.444 387 D N 0.289 120.695 120.400 0.010 0.000 2.092 387 D HA -0.100 4.539 4.640 -0.001 0.000 0.193 387 D C 2.313 178.618 176.300 0.008 0.000 0.994 387 D CA 1.764 55.773 54.000 0.017 0.000 0.828 387 D CB -0.561 40.248 40.800 0.015 0.000 0.963 387 D HN 0.398 nan 8.370 nan 0.000 0.450 388 A N 0.634 123.445 122.820 -0.014 0.000 1.865 388 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 388 A C 2.589 180.166 177.584 -0.012 0.000 1.191 388 A CA 1.743 53.765 52.037 -0.026 0.000 0.623 388 A CB -0.961 17.991 19.000 -0.079 0.000 0.826 388 A HN 0.147 nan 8.150 nan 0.000 0.444 389 V N 0.170 120.058 119.914 -0.043 0.000 2.282 389 V HA -0.323 3.796 4.120 -0.001 0.000 0.249 389 V C 2.440 178.547 176.094 0.020 0.000 1.057 389 V CA 2.472 64.755 62.300 -0.028 0.000 1.032 389 V CB -0.928 30.844 31.823 -0.086 0.000 0.645 389 V HN 0.650 nan 8.190 nan 0.000 0.447 390 E N -0.148 120.050 120.200 -0.004 0.000 2.110 390 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 390 E C 2.305 178.936 176.600 0.051 0.000 0.988 390 E CA 1.194 57.607 56.400 0.021 0.000 0.804 390 E CB -0.283 29.455 29.700 0.062 0.000 0.745 390 E HN 0.629 nan 8.360 nan 0.000 0.458 391 A N 0.646 123.501 122.820 0.059 0.000 1.898 391 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 391 A C 1.993 179.629 177.584 0.087 0.000 1.181 391 A CA 1.118 53.193 52.037 0.063 0.000 0.620 391 A CB -0.723 18.311 19.000 0.058 0.000 0.819 391 A HN 0.342 nan 8.150 nan 0.000 0.442 392 Y N -0.166 120.114 120.300 -0.034 0.000 2.165 392 Y HA -0.186 4.363 4.550 -0.001 0.000 0.286 392 Y C 2.033 177.916 175.900 -0.028 0.000 1.155 392 Y CA 1.748 59.825 58.100 -0.038 0.000 1.164 392 Y CB -0.355 38.069 38.460 -0.061 0.000 0.978 392 Y HN 0.235 nan 8.280 nan 0.000 0.513 393 L N -0.079 121.170 121.223 0.044 0.000 2.083 393 L HA -0.142 4.198 4.340 -0.001 0.000 0.209 393 L C 2.422 179.264 176.870 -0.047 0.000 1.083 393 L CA 2.057 56.882 54.840 -0.025 0.000 0.752 393 L CB -1.186 40.878 42.059 0.008 0.000 0.899 393 L HN 0.292 nan 8.230 nan 0.000 0.433 394 A N -0.944 121.864 122.820 -0.020 0.000 1.898 394 A HA -0.156 4.163 4.320 -0.001 0.000 0.214 394 A C 2.471 180.027 177.584 -0.046 0.000 1.183 394 A CA 1.189 53.215 52.037 -0.017 0.000 0.622 394 A CB -0.506 18.499 19.000 0.008 0.000 0.824 394 A HN 0.421 nan 8.150 nan 0.000 0.444 395 R N -0.120 120.340 120.500 -0.067 0.000 2.091 395 R HA -0.006 4.333 4.340 -0.001 0.000 0.238 395 R C 1.114 177.337 176.300 -0.129 0.000 1.136 395 R CA 1.279 57.328 56.100 -0.085 0.000 0.959 395 R CB -0.321 29.930 30.300 -0.082 0.000 0.856 395 R HN 0.486 nan 8.270 nan 0.000 0.437 396 A N 0.000 122.692 122.820 -0.214 0.000 2.254 396 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 396 A CA 0.000 51.912 52.037 -0.209 0.000 0.836 396 A CB 0.000 18.781 19.000 -0.365 0.000 0.831 396 A HN 0.000 nan 8.150 nan 0.000 0.486