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 1v5b_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKMKLAVLPG DGIGPEVMDA AIRVLKTVLD NDGHEAVFEN ALIGGAAIDE DATA SEQUENCE AGTPLPEETL DICRRSDAIL LGAVGGPKWD HNPASLRPEK GLLGLRKEMG DATA SEQUENCE LFANLRPVKA YATLLNASPL KRERVENVDL VIVRELTGGL YFGRPSERRG DATA SEQUENCE PGENEVVDTL AYTREEIERI IEKAFQLAQI RRKKLASVDK ANVLESSRMW DATA SEQUENCE REIAEETAKK YPDVELSHML VDSTAMQLIA NPGQFDVIVT ENMFGDILSD DATA SEQUENCE LASVITGSLG MLPSASLRSD RFGMYEPVHG SAPDIAGQGK ANPLGTVLSA DATA SEQUENCE ALMLRYSFGL EKEAAAIEKA VDDVLQDGYC TGDLQVANGK VVSTIELTDR DATA SEQUENCE LIEKLNN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.359 176.300 0.099 0.000 1.140 1 M CA 0.000 55.459 55.300 0.264 0.000 0.988 1 M CB 0.000 32.626 32.600 0.043 0.000 1.302 2 K N 2.339 122.717 120.400 -0.038 0.000 2.259 2 K HA 0.908 5.228 4.320 0.001 0.000 0.249 2 K C -0.805 175.698 176.600 -0.162 0.000 0.942 2 K CA -0.365 55.864 56.287 -0.097 0.000 0.816 2 K CB 2.354 34.820 32.500 -0.057 0.000 1.155 2 K HN 0.529 nan 8.250 nan 0.000 0.428 3 M N -0.632 118.850 119.600 -0.197 0.000 2.732 3 M HA 0.464 4.944 4.480 0.001 0.000 0.272 3 M C -1.973 174.258 176.300 -0.116 0.000 1.203 3 M CA -0.847 54.353 55.300 -0.166 0.000 0.841 3 M CB 2.478 34.814 32.600 -0.439 0.000 1.685 3 M HN 0.552 nan 8.290 nan 0.000 0.492 4 K N 2.164 122.563 120.400 -0.002 0.000 2.463 4 K HA 0.799 5.119 4.320 0.001 0.000 0.255 4 K C -1.827 174.828 176.600 0.092 0.000 0.942 4 K CA -0.702 55.589 56.287 0.007 0.000 0.814 4 K CB 2.011 34.532 32.500 0.035 0.000 1.122 4 K HN 0.766 nan 8.250 nan 0.000 0.425 5 L N 2.357 123.638 121.223 0.096 0.000 2.322 5 L HA 0.594 4.934 4.340 0.001 0.000 0.281 5 L C -0.182 176.804 176.870 0.194 0.000 1.014 5 L CA -1.188 53.758 54.840 0.177 0.000 0.815 5 L CB 1.999 44.199 42.059 0.234 0.000 1.247 5 L HN 0.841 nan 8.230 nan 0.000 0.421 6 A N 3.571 126.479 122.820 0.147 0.000 2.347 6 A HA 0.568 4.888 4.320 0.001 0.000 0.287 6 A C -0.224 177.419 177.584 0.099 0.000 1.199 6 A CA -0.346 51.764 52.037 0.121 0.000 0.851 6 A CB 0.334 19.397 19.000 0.104 0.000 1.118 6 A HN 0.449 nan 8.150 nan 0.000 0.525 7 V N 4.591 124.557 119.914 0.086 0.000 2.333 7 V HA 0.271 4.391 4.120 0.001 0.000 0.274 7 V C -0.674 175.430 176.094 0.016 0.000 1.028 7 V CA -0.174 62.149 62.300 0.037 0.000 0.851 7 V CB 0.737 32.551 31.823 -0.015 0.000 1.000 7 V HN 0.671 nan 8.190 nan 0.000 0.456 8 L N 9.308 130.537 121.223 0.010 0.000 2.387 8 L HA 0.415 4.755 4.340 0.001 0.000 0.259 8 L C -1.140 175.724 176.870 -0.010 0.000 1.050 8 L CA -1.427 53.412 54.840 -0.001 0.000 0.922 8 L CB 1.363 43.423 42.059 0.000 0.000 1.280 8 L HN 0.339 nan 8.230 nan 0.000 0.449 9 P HA -0.075 nan 4.420 nan 0.000 0.214 9 P C 0.835 178.129 177.300 -0.010 0.000 1.163 9 P CA 1.715 64.807 63.100 -0.013 0.000 0.883 9 P CB 0.706 32.397 31.700 -0.015 0.000 0.788 10 G N 0.221 109.010 108.800 -0.018 0.000 2.601 10 G HA2 -0.116 3.844 3.960 0.001 0.000 0.224 10 G HA3 -0.116 3.844 3.960 0.001 0.000 0.224 10 G C -1.472 173.419 174.900 -0.016 0.000 1.171 10 G CA 0.029 45.111 45.100 -0.029 0.000 1.009 10 G HN 0.335 nan 8.290 nan 0.000 0.589 11 D N 0.957 121.358 120.400 0.001 0.000 2.575 11 D HA 0.587 5.227 4.640 0.001 0.000 0.236 11 D C 0.970 177.317 176.300 0.078 0.000 1.075 11 D CA 1.050 55.083 54.000 0.055 0.000 0.860 11 D CB 1.182 42.024 40.800 0.069 0.000 1.475 11 D HN 1.913 nan 8.370 nan 0.000 0.474 12 G N 1.382 110.241 108.800 0.098 0.000 2.543 12 G HA2 -0.335 3.625 3.960 0.001 0.000 0.286 12 G HA3 -0.335 3.625 3.960 0.001 0.000 0.286 12 G C 1.101 176.036 174.900 0.057 0.000 1.153 12 G CA 0.456 45.604 45.100 0.079 0.000 0.968 12 G HN 0.702 nan 8.290 nan 0.000 0.544 13 I N 0.484 121.087 120.570 0.055 0.000 2.830 13 I HA 0.288 4.458 4.170 0.001 0.000 0.263 13 I C 2.493 178.641 176.117 0.052 0.000 1.230 13 I CA 1.640 62.968 61.300 0.047 0.000 1.480 13 I CB -0.979 37.048 38.000 0.046 0.000 1.095 13 I HN 0.734 nan 8.210 nan 0.000 0.455 14 G N 3.328 112.160 108.800 0.054 0.000 2.599 14 G HA2 -0.253 3.708 3.960 0.001 0.000 0.219 14 G HA3 -0.253 3.708 3.960 0.001 0.000 0.219 14 G C -0.000 174.913 174.900 0.023 0.000 1.193 14 G CA 1.574 46.698 45.100 0.040 0.000 0.778 14 G HN 0.430 nan 8.290 nan 0.000 0.589 15 P HA -0.069 nan 4.420 nan 0.000 0.217 15 P C 1.337 178.636 177.300 -0.002 0.000 1.150 15 P CA 1.582 64.683 63.100 0.001 0.000 0.832 15 P CB -0.053 31.650 31.700 0.005 0.000 0.787 16 E N 0.048 120.254 120.200 0.008 0.000 2.077 16 E HA -0.104 4.247 4.350 0.001 0.000 0.193 16 E C 2.095 178.698 176.600 0.005 0.000 0.989 16 E CA 1.635 58.037 56.400 0.004 0.000 0.800 16 E CB -0.453 29.253 29.700 0.009 0.000 0.746 16 E HN 0.218 nan 8.360 nan 0.000 0.452 17 V N -1.172 118.754 119.914 0.021 0.000 2.719 17 V HA -0.096 4.024 4.120 0.001 0.000 0.252 17 V C 2.184 178.286 176.094 0.013 0.000 1.065 17 V CA 1.159 63.477 62.300 0.030 0.000 1.086 17 V CB -0.256 31.614 31.823 0.077 0.000 0.700 17 V HN 0.119 nan 8.190 nan 0.000 0.467 18 M N 1.803 121.402 119.600 -0.001 0.000 2.229 18 M HA -0.053 4.428 4.480 0.001 0.000 0.264 18 M C 1.594 177.863 176.300 -0.052 0.000 1.063 18 M CA 2.167 57.452 55.300 -0.024 0.000 1.114 18 M CB -0.733 31.848 32.600 -0.033 0.000 1.387 18 M HN 0.497 nan 8.290 nan 0.000 0.420 19 D N -0.270 120.102 120.400 -0.047 0.000 2.077 19 D HA -0.066 4.574 4.640 0.001 0.000 0.196 19 D C 1.935 178.207 176.300 -0.047 0.000 0.986 19 D CA 1.886 55.849 54.000 -0.062 0.000 0.829 19 D CB -0.189 40.586 40.800 -0.043 0.000 0.983 19 D HN 0.413 nan 8.370 nan 0.000 0.453 20 A N 0.343 123.148 122.820 -0.025 0.000 1.986 20 A HA -0.113 4.208 4.320 0.001 0.000 0.220 20 A C 2.271 179.848 177.584 -0.013 0.000 1.171 20 A CA 2.425 54.453 52.037 -0.015 0.000 0.640 20 A CB -0.959 18.039 19.000 -0.004 0.000 0.811 20 A HN 0.338 nan 8.150 nan 0.000 0.451 21 A N -0.474 122.337 122.820 -0.014 0.000 1.930 21 A HA 0.083 4.404 4.320 0.001 0.000 0.215 21 A C 1.997 179.573 177.584 -0.013 0.000 1.176 21 A CA 1.289 53.321 52.037 -0.007 0.000 0.632 21 A CB -0.339 18.659 19.000 -0.003 0.000 0.819 21 A HN 0.391 nan 8.150 nan 0.000 0.445 22 I N -0.144 120.395 120.570 -0.052 0.000 2.133 22 I HA -0.180 3.990 4.170 0.001 0.000 0.238 22 I C 2.556 178.664 176.117 -0.015 0.000 1.074 22 I CA 1.474 62.723 61.300 -0.085 0.000 1.342 22 I CB -1.421 36.429 38.000 -0.250 0.000 1.053 22 I HN 0.309 nan 8.210 nan 0.000 0.404 23 R N 0.266 120.751 120.500 -0.025 0.000 2.094 23 R HA -0.172 4.168 4.340 0.001 0.000 0.239 23 R C 2.331 178.641 176.300 0.017 0.000 1.137 23 R CA 1.603 57.704 56.100 0.001 0.000 0.943 23 R CB -0.690 29.604 30.300 -0.010 0.000 0.850 23 R HN 0.171 nan 8.270 nan 0.000 0.433 24 V N 0.953 120.872 119.914 0.009 0.000 2.453 24 V HA -0.232 3.888 4.120 0.001 0.000 0.252 24 V C 2.077 178.185 176.094 0.024 0.000 1.068 24 V CA 1.361 63.668 62.300 0.012 0.000 1.070 24 V CB -0.406 31.420 31.823 0.006 0.000 0.664 24 V HN 0.304 nan 8.190 nan 0.000 0.461 25 L N -0.602 120.646 121.223 0.041 0.000 2.209 25 L HA 0.020 4.360 4.340 0.001 0.000 0.207 25 L C 2.323 179.234 176.870 0.070 0.000 1.094 25 L CA 1.684 56.556 54.840 0.053 0.000 0.790 25 L CB -0.961 41.149 42.059 0.085 0.000 0.932 25 L HN 0.308 nan 8.230 nan 0.000 0.447 26 K N -0.516 119.945 120.400 0.102 0.000 2.057 26 K HA -0.110 4.211 4.320 0.001 0.000 0.207 26 K C 1.162 177.794 176.600 0.055 0.000 1.049 26 K CA 1.701 58.050 56.287 0.103 0.000 0.931 26 K CB -0.169 32.410 32.500 0.132 0.000 0.714 26 K HN 0.424 nan 8.250 nan 0.000 0.440 27 T N -1.477 113.101 114.554 0.039 0.000 3.327 27 T HA 0.265 4.615 4.350 0.001 0.000 0.241 27 T C 0.782 175.495 174.700 0.021 0.000 0.907 27 T CA -0.316 61.799 62.100 0.024 0.000 0.931 27 T CB 0.227 69.104 68.868 0.015 0.000 1.112 27 T HN -0.130 nan 8.240 nan 0.000 0.589 28 V N -0.290 119.640 119.914 0.027 0.000 3.113 28 V HA 0.290 4.410 4.120 0.001 0.000 0.252 28 V C 1.716 177.839 176.094 0.048 0.000 1.681 28 V CA -0.044 62.272 62.300 0.026 0.000 1.042 28 V CB 0.118 31.950 31.823 0.014 0.000 0.922 28 V HN 0.474 nan 8.190 nan 0.000 0.407 29 L N 0.545 121.796 121.223 0.046 0.000 2.509 29 L HA 0.052 4.392 4.340 0.001 0.000 0.222 29 L C 1.890 178.813 176.870 0.089 0.000 1.123 29 L CA 1.597 56.491 54.840 0.090 0.000 0.856 29 L CB 0.029 42.098 42.059 0.017 0.000 0.985 29 L HN 0.440 nan 8.230 nan 0.000 0.456 30 D N 0.219 120.643 120.400 0.040 0.000 2.149 30 D HA -0.126 4.514 4.640 0.001 0.000 0.206 30 D C 1.072 177.371 176.300 -0.000 0.000 0.967 30 D CA 0.670 54.676 54.000 0.009 0.000 0.848 30 D CB 0.199 41.004 40.800 0.008 0.000 0.998 30 D HN 0.070 nan 8.370 nan 0.000 0.474 31 N N 0.999 119.707 118.700 0.014 0.000 2.926 31 N HA 0.075 4.816 4.740 0.001 0.000 0.284 31 N C -0.621 174.895 175.510 0.011 0.000 1.303 31 N CA 0.456 53.510 53.050 0.006 0.000 1.062 31 N CB 0.553 39.046 38.487 0.011 0.000 1.389 31 N HN 0.290 nan 8.380 nan 0.000 0.538 32 D N -1.864 118.527 120.400 -0.015 0.000 2.649 32 D HA 0.081 4.721 4.640 0.001 0.000 0.507 32 D C -0.017 176.100 176.300 -0.305 0.000 1.091 32 D CA 0.444 54.412 54.000 -0.053 0.000 1.076 32 D CB -0.125 40.748 40.800 0.123 0.000 1.647 32 D HN 0.183 nan 8.370 nan 0.000 0.356 33 G N 2.013 110.658 108.800 -0.259 0.000 2.462 33 G HA2 -0.188 3.772 3.960 0.001 0.000 0.283 33 G HA3 -0.188 3.772 3.960 0.001 0.000 0.283 33 G C -0.646 173.892 174.900 -0.604 0.000 1.043 33 G CA 0.146 45.042 45.100 -0.340 0.000 1.300 33 G HN 0.360 nan 8.290 nan 0.000 0.518 34 H N -0.340 118.679 119.070 -0.084 0.000 2.806 34 H HA 0.559 5.116 4.556 0.000 0.000 0.367 34 H C -0.379 174.867 175.328 -0.136 0.000 1.136 34 H CA -0.844 55.131 56.048 -0.121 0.000 1.178 34 H CB 2.382 32.055 29.762 -0.148 0.000 1.718 34 H HN 0.425 nan 8.280 nan 0.000 0.540 35 E N 1.497 121.681 120.200 -0.026 0.000 2.197 35 E HA 0.600 4.950 4.350 0.001 0.000 0.281 35 E C -1.339 175.153 176.600 -0.180 0.000 0.995 35 E CA -0.813 55.528 56.400 -0.099 0.000 0.808 35 E CB 1.005 30.652 29.700 -0.088 0.000 1.093 35 E HN 0.714 nan 8.360 nan 0.000 0.394 36 A N 4.141 126.809 122.820 -0.254 0.000 2.530 36 A HA 0.529 4.849 4.320 0.001 0.000 0.279 36 A C -1.561 175.616 177.584 -0.679 0.000 1.109 36 A CA -0.671 51.109 52.037 -0.429 0.000 0.763 36 A CB 0.994 19.735 19.000 -0.432 0.000 1.257 36 A HN 0.358 nan 8.150 nan 0.000 0.424 37 V N 3.959 123.550 119.914 -0.538 0.000 2.350 37 V HA 0.596 4.716 4.120 0.001 0.000 0.285 37 V C -0.889 175.009 176.094 -0.327 0.000 1.014 37 V CA -0.434 61.586 62.300 -0.467 0.000 0.831 37 V CB 0.441 32.156 31.823 -0.180 0.000 1.000 37 V HN 0.681 nan 8.190 nan 0.000 0.433 38 F N 1.416 121.374 119.950 0.013 0.000 2.470 38 F HA 0.789 5.316 4.527 0.000 0.000 0.329 38 F C 0.293 176.106 175.800 0.022 0.000 1.072 38 F CA -1.987 56.026 58.000 0.021 0.000 0.989 38 F CB 0.713 39.724 39.000 0.018 0.000 1.193 38 F HN 0.353 nan 8.300 nan 0.000 0.481 39 E N 0.378 120.729 120.200 0.252 0.000 2.244 39 E HA 0.331 4.681 4.350 0.001 0.000 0.266 39 E C -1.311 175.352 176.600 0.105 0.000 0.914 39 E CA -1.134 55.355 56.400 0.147 0.000 0.794 39 E CB 2.267 32.030 29.700 0.106 0.000 1.210 39 E HN 0.593 nan 8.360 nan 0.000 0.414 40 N N -0.031 118.706 118.700 0.062 0.000 2.456 40 N HA 0.589 5.330 4.740 0.001 0.000 0.296 40 N C -1.729 173.800 175.510 0.032 0.000 1.102 40 N CA -0.216 52.851 53.050 0.029 0.000 0.924 40 N CB 1.498 39.990 38.487 0.008 0.000 1.186 40 N HN 0.503 nan 8.380 nan 0.000 0.492 41 A N 1.612 124.445 122.820 0.022 0.000 2.515 41 A HA 0.605 4.925 4.320 0.001 0.000 0.298 41 A C -1.633 175.954 177.584 0.006 0.000 1.059 41 A CA -0.534 51.515 52.037 0.020 0.000 0.698 41 A CB 0.830 19.848 19.000 0.030 0.000 1.289 41 A HN 0.532 nan 8.150 nan 0.000 0.404 42 L N 2.258 123.481 121.223 0.001 0.000 2.326 42 L HA 0.591 4.931 4.340 0.001 0.000 0.278 42 L C -0.130 176.723 176.870 -0.029 0.000 1.092 42 L CA 0.100 54.931 54.840 -0.014 0.000 0.810 42 L CB 1.046 43.098 42.059 -0.012 0.000 1.153 42 L HN 0.636 nan 8.230 nan 0.000 0.439 43 I N 1.258 121.797 120.570 -0.052 0.000 2.918 43 I HA 0.564 4.734 4.170 0.001 0.000 0.301 43 I C 0.523 176.562 176.117 -0.131 0.000 1.312 43 I CA 0.250 61.507 61.300 -0.073 0.000 1.007 43 I CB 1.585 39.555 38.000 -0.049 0.000 1.281 43 I HN 0.661 nan 8.210 nan 0.000 0.440 44 G N 3.968 112.670 108.800 -0.164 0.000 2.574 44 G HA2 -0.265 3.695 3.960 0.001 0.000 0.282 44 G HA3 -0.265 3.695 3.960 0.001 0.000 0.282 44 G C 0.953 175.571 174.900 -0.471 0.000 1.257 44 G CA 0.626 45.564 45.100 -0.270 0.000 0.956 44 G HN 1.381 nan 8.290 nan 0.000 0.560 45 G N -0.312 108.004 108.800 -0.806 0.000 2.597 45 G HA2 0.047 4.007 3.960 0.001 0.000 0.222 45 G HA3 0.047 4.007 3.960 0.001 0.000 0.222 45 G C 2.169 176.580 174.900 -0.814 0.000 1.135 45 G CA 3.465 47.530 45.100 -1.724 0.000 0.759 45 G HN 2.016 nan 8.290 nan 0.000 0.595 46 A N 0.817 123.436 122.820 -0.334 0.000 1.930 46 A HA 0.356 4.676 4.320 0.001 0.000 0.217 46 A C 2.807 180.354 177.584 -0.061 0.000 1.175 46 A CA 2.150 54.148 52.037 -0.065 0.000 0.627 46 A CB -0.660 18.326 19.000 -0.024 0.000 0.815 46 A HN 0.922 nan 8.150 nan 0.000 0.443 47 A N -0.205 122.541 122.820 -0.124 0.000 1.969 47 A HA 0.007 4.328 4.320 0.001 0.000 0.218 47 A C 2.064 179.607 177.584 -0.069 0.000 1.169 47 A CA 1.259 53.249 52.037 -0.079 0.000 0.635 47 A CB -0.528 18.420 19.000 -0.087 0.000 0.810 47 A HN 0.493 nan 8.150 nan 0.000 0.445 48 I N -0.028 120.458 120.570 -0.141 0.000 2.142 48 I HA -0.244 3.927 4.170 0.001 0.000 0.240 48 I C 1.793 177.955 176.117 0.075 0.000 1.078 48 I CA 1.525 62.784 61.300 -0.068 0.000 1.343 48 I CB -0.435 37.437 38.000 -0.213 0.000 1.046 48 I HN 0.239 nan 8.210 nan 0.000 0.405 49 D N 0.599 121.091 120.400 0.153 0.000 2.182 49 D HA -0.163 4.477 4.640 0.001 0.000 0.201 49 D C 1.924 178.285 176.300 0.101 0.000 0.986 49 D CA 1.180 55.291 54.000 0.187 0.000 0.847 49 D CB -0.116 40.825 40.800 0.236 0.000 0.942 49 D HN 0.440 nan 8.370 nan 0.000 0.467 50 E N -0.752 119.487 120.200 0.065 0.000 2.447 50 E HA 0.237 4.587 4.350 0.001 0.000 0.204 50 E C 1.334 177.952 176.600 0.031 0.000 0.977 50 E CA 0.194 56.621 56.400 0.045 0.000 0.950 50 E CB 0.590 30.312 29.700 0.036 0.000 0.975 50 E HN 0.180 nan 8.360 nan 0.000 0.496 51 A N 0.042 122.876 122.820 0.023 0.000 2.358 51 A HA 0.539 4.859 4.320 0.001 0.000 0.223 51 A C 1.713 179.308 177.584 0.018 0.000 1.218 51 A CA 0.913 52.959 52.037 0.014 0.000 0.942 51 A CB 0.337 19.337 19.000 0.001 0.000 1.005 51 A HN 0.217 nan 8.150 nan 0.000 0.514 52 G N -0.831 107.986 108.800 0.028 0.000 2.363 52 G HA2 -0.257 3.703 3.960 0.001 0.000 0.238 52 G HA3 -0.257 3.703 3.960 0.001 0.000 0.238 52 G C 0.679 175.591 174.900 0.020 0.000 1.062 52 G CA 0.956 46.077 45.100 0.035 0.000 0.629 52 G HN 1.294 nan 8.290 nan 0.000 0.514 53 T N 1.628 116.182 114.554 -0.001 0.000 2.925 53 T HA 0.664 5.015 4.350 0.001 0.000 0.285 53 T C -0.957 173.711 174.700 -0.053 0.000 1.021 53 T CA -1.109 60.980 62.100 -0.017 0.000 1.042 53 T CB 2.332 71.194 68.868 -0.010 0.000 1.037 53 T HN -0.001 nan 8.240 nan 0.000 0.481 54 P HA 0.082 nan 4.420 nan 0.000 0.222 54 P C 0.372 177.620 177.300 -0.087 0.000 1.153 54 P CA 0.327 63.352 63.100 -0.124 0.000 0.798 54 P CB 0.207 31.826 31.700 -0.134 0.000 0.796 55 L N 2.705 123.898 121.223 -0.051 0.000 2.506 55 L HA 0.475 4.816 4.340 0.001 0.000 0.247 55 L C -2.601 174.259 176.870 -0.017 0.000 1.141 55 L CA -2.948 51.874 54.840 -0.031 0.000 0.973 55 L CB 0.545 42.593 42.059 -0.019 0.000 1.319 55 L HN -0.225 nan 8.230 nan 0.000 0.455 56 P HA -0.035 nan 4.420 nan 0.000 0.261 56 P C 0.501 177.803 177.300 0.003 0.000 1.203 56 P CA 0.195 63.292 63.100 -0.005 0.000 0.767 56 P CB 0.792 32.490 31.700 -0.005 0.000 0.785 57 E N 3.015 123.218 120.200 0.005 0.000 2.333 57 E HA -0.218 4.133 4.350 0.001 0.000 0.200 57 E C 0.679 177.287 176.600 0.013 0.000 1.010 57 E CA 1.367 57.773 56.400 0.009 0.000 0.841 57 E CB 0.208 29.914 29.700 0.009 0.000 0.757 57 E HN 0.428 nan 8.360 nan 0.000 0.508 58 E N -0.859 119.348 120.200 0.013 0.000 2.150 58 E HA -0.075 4.276 4.350 0.001 0.000 0.193 58 E C 1.961 178.573 176.600 0.021 0.000 0.985 58 E CA 1.349 57.759 56.400 0.016 0.000 0.814 58 E CB -0.374 29.335 29.700 0.015 0.000 0.752 58 E HN 0.088 nan 8.360 nan 0.000 0.466 59 T N 0.676 115.242 114.554 0.019 0.000 2.985 59 T HA 0.044 4.395 4.350 0.001 0.000 0.266 59 T C 1.696 176.417 174.700 0.035 0.000 1.076 59 T CA 0.381 62.496 62.100 0.025 0.000 1.135 59 T CB -0.089 68.788 68.868 0.016 0.000 0.890 59 T HN 0.053 nan 8.240 nan 0.000 0.480 60 L N 0.980 122.221 121.223 0.030 0.000 2.017 60 L HA -0.134 4.206 4.340 0.001 0.000 0.208 60 L C 2.499 179.394 176.870 0.041 0.000 1.073 60 L CA 1.268 56.130 54.840 0.036 0.000 0.745 60 L CB -0.576 41.498 42.059 0.024 0.000 0.894 60 L HN 0.204 nan 8.230 nan 0.000 0.432 61 D N 0.505 120.925 120.400 0.032 0.000 2.116 61 D HA -0.219 4.421 4.640 0.001 0.000 0.193 61 D C 2.191 178.519 176.300 0.047 0.000 0.998 61 D CA 1.568 55.587 54.000 0.032 0.000 0.836 61 D CB -0.321 40.495 40.800 0.026 0.000 0.951 61 D HN 0.377 nan 8.370 nan 0.000 0.449 62 I N 0.713 121.314 120.570 0.052 0.000 2.248 62 I HA -0.302 3.868 4.170 0.001 0.000 0.248 62 I C 2.629 178.801 176.117 0.091 0.000 1.107 62 I CA 0.734 62.073 61.300 0.065 0.000 1.373 62 I CB -0.460 37.576 38.000 0.059 0.000 1.055 62 I HN 0.072 nan 8.210 nan 0.000 0.418 63 C N 1.073 120.434 119.300 0.103 0.000 2.453 63 C HA -0.084 4.376 4.460 0.001 0.000 0.277 63 C C 2.925 178.037 174.990 0.202 0.000 1.262 63 C CA 0.641 59.757 59.018 0.165 0.000 1.718 63 C CB -1.029 26.815 27.740 0.173 0.000 2.031 63 C HN 0.451 nan 8.230 nan 0.000 0.480 64 R N 0.556 121.120 120.500 0.106 0.000 2.193 64 R HA -0.066 4.275 4.340 0.001 0.000 0.229 64 R C 2.110 178.444 176.300 0.057 0.000 1.110 64 R CA 0.767 56.886 56.100 0.032 0.000 0.988 64 R CB -0.371 29.918 30.300 -0.018 0.000 0.871 64 R HN 0.531 nan 8.270 nan 0.000 0.458 65 R N 0.901 121.449 120.500 0.080 0.000 2.119 65 R HA 0.110 4.450 4.340 0.001 0.000 0.222 65 R C 0.814 177.182 176.300 0.113 0.000 1.088 65 R CA 0.522 56.668 56.100 0.077 0.000 0.984 65 R CB -0.054 30.285 30.300 0.065 0.000 0.884 65 R HN 0.089 nan 8.270 nan 0.000 0.447 66 S N 0.896 116.693 115.700 0.162 0.000 2.645 66 S HA 0.102 4.572 4.470 0.001 0.000 0.266 66 S C 0.636 175.406 174.600 0.282 0.000 1.258 66 S CA -0.661 57.655 58.200 0.193 0.000 0.990 66 S CB 1.166 64.474 63.200 0.179 0.000 0.967 66 S HN 0.121 nan 8.310 nan 0.000 0.556 67 D N 0.463 121.015 120.400 0.254 0.000 2.240 67 D HA 0.296 4.937 4.640 0.001 0.000 0.206 67 D C 0.523 176.895 176.300 0.120 0.000 0.963 67 D CA 0.712 54.882 54.000 0.283 0.000 0.863 67 D CB 0.192 41.193 40.800 0.335 0.000 0.973 67 D HN 0.525 nan 8.370 nan 0.000 0.501 68 A N -0.266 122.550 122.820 -0.007 0.000 2.602 68 A HA 0.622 4.943 4.320 0.001 0.000 0.290 68 A C -1.675 175.834 177.584 -0.125 0.000 1.114 68 A CA -0.563 51.310 52.037 -0.273 0.000 0.683 68 A CB 1.145 20.043 19.000 -0.170 0.000 1.281 68 A HN -0.043 nan 8.150 nan 0.000 0.416 69 I N 0.016 120.502 120.570 -0.141 0.000 2.509 69 I HA 0.499 4.670 4.170 0.001 0.000 0.293 69 I C -0.713 175.443 176.117 0.064 0.000 1.020 69 I CA -0.095 61.192 61.300 -0.023 0.000 1.088 69 I CB 1.815 39.782 38.000 -0.055 0.000 1.267 69 I HN 0.495 nan 8.210 nan 0.000 0.430 70 L N 6.157 127.419 121.223 0.065 0.000 2.294 70 L HA 0.519 4.860 4.340 0.001 0.000 0.283 70 L C -1.153 175.738 176.870 0.034 0.000 1.015 70 L CA -0.536 54.344 54.840 0.068 0.000 0.831 70 L CB 1.280 43.374 42.059 0.058 0.000 1.217 70 L HN 0.360 nan 8.230 nan 0.000 0.420 71 L N 2.807 124.046 121.223 0.026 0.000 2.362 71 L HA 0.652 4.992 4.340 0.001 0.000 0.271 71 L C 0.406 177.269 176.870 -0.010 0.000 1.002 71 L CA 0.109 54.948 54.840 -0.001 0.000 0.818 71 L CB 1.715 43.764 42.059 -0.016 0.000 1.298 71 L HN 0.608 nan 8.230 nan 0.000 0.420 72 G N 3.351 112.143 108.800 -0.014 0.000 2.593 72 G HA2 0.584 4.545 3.960 0.001 0.000 0.212 72 G HA3 0.584 4.545 3.960 0.001 0.000 0.212 72 G C -0.385 174.498 174.900 -0.028 0.000 1.934 72 G CA 0.654 45.745 45.100 -0.015 0.000 0.861 72 G HN 0.854 nan 8.290 nan 0.000 0.629 73 A N -1.488 121.328 122.820 -0.007 0.000 2.594 73 A HA 0.726 5.046 4.320 0.001 0.000 0.291 73 A C -1.265 176.313 177.584 -0.010 0.000 1.105 73 A CA -0.026 52.008 52.037 -0.003 0.000 0.694 73 A CB 1.685 20.708 19.000 0.039 0.000 1.291 73 A HN 1.756 nan 8.150 nan 0.000 0.410 74 V N -2.289 117.615 119.914 -0.017 0.000 2.851 74 V HA 0.988 5.109 4.120 0.001 0.000 0.307 74 V C -0.243 175.839 176.094 -0.021 0.000 1.129 74 V CA -0.023 62.248 62.300 -0.048 0.000 0.932 74 V CB 1.086 32.854 31.823 -0.093 0.000 1.024 74 V HN 2.675 nan 8.190 nan 0.000 0.426 75 G N 1.124 109.922 108.800 -0.003 0.000 2.380 75 G HA2 0.593 4.554 3.960 0.001 0.000 0.250 75 G HA3 0.593 4.554 3.960 0.001 0.000 0.250 75 G C -0.489 174.544 174.900 0.222 0.000 1.578 75 G CA 0.082 45.231 45.100 0.082 0.000 0.974 75 G HN 1.970 nan 8.290 nan 0.000 0.680 76 G N 2.284 111.340 108.800 0.427 0.000 2.731 76 G HA2 0.796 4.756 3.960 0.001 0.000 0.298 76 G HA3 0.796 4.756 3.960 0.001 0.000 0.298 76 G C -1.311 173.739 174.900 0.250 0.000 1.424 76 G CA -1.026 44.340 45.100 0.442 0.000 1.029 76 G HN 0.415 nan 8.290 nan 0.000 0.518 77 P HA -0.104 nan 4.420 nan 0.000 0.236 77 P C 1.026 178.254 177.300 -0.119 0.000 1.172 77 P CA 0.607 63.693 63.100 -0.024 0.000 0.759 77 P CB 0.418 32.100 31.700 -0.031 0.000 0.843 78 K N -0.434 119.803 120.400 -0.271 0.000 2.137 78 K HA -0.050 4.270 4.320 0.001 0.000 0.202 78 K C 1.077 177.371 176.600 -0.510 0.000 1.052 78 K CA 0.686 56.638 56.287 -0.559 0.000 0.961 78 K CB -0.023 31.799 32.500 -1.130 0.000 0.741 78 K HN 0.125 nan 8.250 nan 0.000 0.452 79 W N 1.997 123.298 121.300 0.003 0.000 3.269 79 W HA 0.128 4.788 4.660 0.001 0.000 0.413 79 W C -0.358 176.140 176.519 -0.034 0.000 1.057 79 W CA -0.431 56.917 57.345 0.005 0.000 1.953 79 W CB 0.195 29.658 29.460 0.005 0.000 1.053 79 W HN 0.138 nan 8.180 nan 0.000 0.753 80 D N -0.990 119.416 120.400 0.010 0.000 2.363 80 D HA -0.063 4.578 4.640 0.001 0.000 0.226 80 D C 1.488 177.601 176.300 -0.312 0.000 1.020 80 D CA 1.141 55.044 54.000 -0.162 0.000 0.892 80 D CB 0.117 40.740 40.800 -0.295 0.000 0.900 80 D HN 0.185 nan 8.370 nan 0.000 0.531 81 H N -1.041 118.059 119.070 0.050 0.000 3.058 81 H HA 0.230 4.787 4.556 0.001 0.000 0.266 81 H C -0.059 175.298 175.328 0.049 0.000 1.135 81 H CA -0.245 55.823 56.048 0.033 0.000 1.174 81 H CB 0.436 30.202 29.762 0.007 0.000 1.581 81 H HN -0.003 nan 8.280 nan 0.000 0.553 82 N N 3.305 122.107 118.700 0.169 0.000 2.524 82 N HA 0.141 4.882 4.740 0.001 0.000 0.283 82 N C -2.277 173.291 175.510 0.098 0.000 1.142 82 N CA -1.600 51.534 53.050 0.141 0.000 0.984 82 N CB 0.598 39.194 38.487 0.182 0.000 1.155 82 N HN 0.088 nan 8.380 nan 0.000 0.467 83 P HA -0.054 nan 4.420 nan 0.000 0.267 83 P C 0.235 177.561 177.300 0.042 0.000 1.201 83 P CA -0.062 63.068 63.100 0.049 0.000 0.775 83 P CB 0.561 32.285 31.700 0.039 0.000 0.854 84 A N 3.028 125.863 122.820 0.026 0.000 1.903 84 A HA -0.246 4.074 4.320 0.001 0.000 0.219 84 A C 2.153 179.744 177.584 0.011 0.000 1.191 84 A CA 2.770 54.816 52.037 0.016 0.000 0.638 84 A CB -1.850 17.153 19.000 0.004 0.000 0.823 84 A HN 0.690 nan 8.150 nan 0.000 0.451 85 S N -1.281 114.426 115.700 0.011 0.000 2.653 85 S HA 0.215 4.685 4.470 0.001 0.000 0.233 85 S C 0.778 175.381 174.600 0.005 0.000 0.970 85 S CA 0.839 59.042 58.200 0.005 0.000 0.947 85 S CB -0.321 62.884 63.200 0.007 0.000 0.771 85 S HN 0.420 nan 8.310 nan 0.000 0.538 86 L N 0.473 121.705 121.223 0.016 0.000 3.366 86 L HA 0.436 4.777 4.340 0.001 0.000 0.304 86 L C 0.227 177.111 176.870 0.023 0.000 1.292 86 L CA -0.240 54.612 54.840 0.020 0.000 1.012 86 L CB 0.385 42.473 42.059 0.048 0.000 1.414 86 L HN 0.117 nan 8.230 nan 0.000 0.603 87 R N -0.099 120.401 120.500 -0.000 0.000 2.832 87 R HA 0.366 4.706 4.340 0.001 0.000 0.271 87 R C -1.745 174.492 176.300 -0.105 0.000 0.996 87 R CA -1.757 54.342 56.100 -0.002 0.000 0.977 87 R CB 1.259 31.588 30.300 0.047 0.000 1.168 87 R HN -0.286 nan 8.270 nan 0.000 0.482 88 P HA -0.189 nan 4.420 nan 0.000 0.223 88 P C -0.018 177.207 177.300 -0.125 0.000 1.140 88 P CA 1.332 64.285 63.100 -0.245 0.000 0.783 88 P CB 0.355 31.895 31.700 -0.267 0.000 0.759 89 E N -1.194 118.965 120.200 -0.068 0.000 2.216 89 E HA 0.002 4.353 4.350 0.001 0.000 0.192 89 E C 1.796 178.376 176.600 -0.034 0.000 0.973 89 E CA 0.537 56.912 56.400 -0.041 0.000 0.851 89 E CB -0.503 29.186 29.700 -0.018 0.000 0.804 89 E HN 0.080 nan 8.360 nan 0.000 0.477 90 K N 0.461 120.840 120.400 -0.034 0.000 2.362 90 K HA 0.002 4.323 4.320 0.001 0.000 0.200 90 K C 1.790 178.374 176.600 -0.027 0.000 1.046 90 K CA 0.910 57.184 56.287 -0.022 0.000 0.952 90 K CB -0.099 32.391 32.500 -0.016 0.000 0.753 90 K HN 0.251 nan 8.250 nan 0.000 0.466 91 G N 0.785 109.555 108.800 -0.049 0.000 2.448 91 G HA2 -0.175 3.786 3.960 0.001 0.000 0.218 91 G HA3 -0.175 3.786 3.960 0.001 0.000 0.218 91 G C 1.306 176.185 174.900 -0.035 0.000 1.135 91 G CA 0.172 45.242 45.100 -0.050 0.000 0.784 91 G HN 0.244 nan 8.290 nan 0.000 0.543 92 L N -0.103 121.099 121.223 -0.035 0.000 2.298 92 L HA 0.445 4.786 4.340 0.001 0.000 0.209 92 L C 2.255 179.120 176.870 -0.009 0.000 1.084 92 L CA 0.725 55.550 54.840 -0.025 0.000 0.816 92 L CB -0.229 41.810 42.059 -0.033 0.000 0.967 92 L HN 0.169 nan 8.230 nan 0.000 0.460 93 L N -1.025 120.196 121.223 -0.003 0.000 2.291 93 L HA 0.072 4.412 4.340 0.001 0.000 0.214 93 L C 1.883 178.770 176.870 0.028 0.000 1.120 93 L CA 1.221 56.071 54.840 0.017 0.000 0.799 93 L CB -0.373 41.697 42.059 0.019 0.000 0.925 93 L HN 0.385 nan 8.230 nan 0.000 0.446 94 G N -0.783 108.027 108.800 0.017 0.000 2.744 94 G HA2 -0.109 3.852 3.960 0.001 0.000 0.211 94 G HA3 -0.109 3.852 3.960 0.001 0.000 0.211 94 G C 1.311 176.224 174.900 0.023 0.000 1.146 94 G CA 0.184 45.298 45.100 0.023 0.000 0.787 94 G HN 0.271 nan 8.290 nan 0.000 0.534 95 L N 0.914 122.147 121.223 0.016 0.000 2.056 95 L HA 0.135 4.475 4.340 0.001 0.000 0.207 95 L C 2.741 179.631 176.870 0.034 0.000 1.078 95 L CA 1.558 56.412 54.840 0.022 0.000 0.749 95 L CB -0.512 41.554 42.059 0.012 0.000 0.901 95 L HN 0.106 nan 8.230 nan 0.000 0.433 96 R N -0.361 120.154 120.500 0.025 0.000 2.070 96 R HA -0.210 4.130 4.340 0.001 0.000 0.233 96 R C 2.265 178.589 176.300 0.040 0.000 1.137 96 R CA 1.491 57.607 56.100 0.027 0.000 0.945 96 R CB -0.523 29.785 30.300 0.012 0.000 0.845 96 R HN 0.172 nan 8.270 nan 0.000 0.430 97 K N 1.350 121.776 120.400 0.044 0.000 2.127 97 K HA -0.230 4.091 4.320 0.001 0.000 0.212 97 K C 1.744 178.365 176.600 0.036 0.000 1.050 97 K CA 1.805 58.120 56.287 0.046 0.000 0.929 97 K CB -0.155 32.375 32.500 0.050 0.000 0.715 97 K HN 0.074 nan 8.250 nan 0.000 0.457 98 E N -0.783 119.437 120.200 0.033 0.000 2.274 98 E HA -0.056 4.294 4.350 0.001 0.000 0.194 98 E C 1.378 177.990 176.600 0.020 0.000 0.996 98 E CA 0.821 57.236 56.400 0.025 0.000 0.840 98 E CB 0.060 29.775 29.700 0.025 0.000 0.772 98 E HN 0.410 nan 8.360 nan 0.000 0.491 99 M N -1.156 118.472 119.600 0.047 0.000 2.371 99 M HA 0.224 4.704 4.480 0.001 0.000 0.246 99 M C 0.828 177.154 176.300 0.043 0.000 1.103 99 M CA 0.301 55.636 55.300 0.058 0.000 1.010 99 M CB -0.026 32.716 32.600 0.235 0.000 1.457 99 M HN 0.050 nan 8.290 nan 0.000 0.486 100 G N 2.665 111.491 108.800 0.044 0.000 2.338 100 G HA2 -0.224 3.737 3.960 0.001 0.000 0.296 100 G HA3 -0.224 3.737 3.960 0.001 0.000 0.296 100 G C -0.209 174.728 174.900 0.062 0.000 1.040 100 G CA -0.069 45.072 45.100 0.069 0.000 1.004 100 G HN 0.469 nan 8.290 nan 0.000 0.509 101 L N 0.239 121.462 121.223 -0.000 0.000 2.261 101 L HA 0.505 4.846 4.340 0.001 0.000 0.289 101 L C 1.548 178.344 176.870 -0.123 0.000 1.059 101 L CA -0.928 53.819 54.840 -0.154 0.000 0.816 101 L CB 0.310 42.291 42.059 -0.131 0.000 1.191 101 L HN 0.338 nan 8.230 nan 0.000 0.431 102 F N 0.875 120.810 119.950 -0.025 0.000 2.694 102 F HA 0.517 5.044 4.527 0.000 0.000 0.292 102 F C 0.838 176.622 175.800 -0.027 0.000 1.121 102 F CA -0.719 57.264 58.000 -0.028 0.000 1.352 102 F CB -0.002 38.980 39.000 -0.031 0.000 1.107 102 F HN 0.274 nan 8.300 nan 0.000 0.597 103 A N 1.499 124.123 122.820 -0.327 0.000 2.288 103 A HA 0.547 4.868 4.320 0.001 0.000 0.320 103 A C -1.058 176.420 177.584 -0.178 0.000 1.217 103 A CA -0.504 51.456 52.037 -0.127 0.000 0.840 103 A CB 0.109 19.004 19.000 -0.175 0.000 1.179 103 A HN 0.349 nan 8.150 nan 0.000 0.504 104 N N 1.938 120.584 118.700 -0.090 0.000 2.421 104 N HA 0.605 5.345 4.740 0.001 0.000 0.285 104 N C -1.198 174.247 175.510 -0.109 0.000 1.027 104 N CA -0.273 52.712 53.050 -0.109 0.000 0.918 104 N CB 0.726 39.179 38.487 -0.056 0.000 1.152 104 N HN 0.554 nan 8.380 nan 0.000 0.485 105 L N 3.352 124.490 121.223 -0.142 0.000 2.333 105 L HA 0.585 4.926 4.340 0.001 0.000 0.280 105 L C -0.113 176.719 176.870 -0.063 0.000 1.004 105 L CA -0.909 53.855 54.840 -0.127 0.000 0.820 105 L CB 1.530 43.455 42.059 -0.223 0.000 1.247 105 L HN 0.375 nan 8.230 nan 0.000 0.416 106 R N 3.155 123.634 120.500 -0.034 0.000 2.407 106 R HA 0.381 4.722 4.340 0.001 0.000 0.298 106 R C -2.737 173.577 176.300 0.022 0.000 1.166 106 R CA -2.001 54.099 56.100 -0.001 0.000 1.006 106 R CB 1.492 31.788 30.300 -0.007 0.000 1.145 106 R HN 0.231 nan 8.270 nan 0.000 0.538 107 P HA 0.175 nan 4.420 nan 0.000 0.281 107 P C -0.493 176.852 177.300 0.075 0.000 1.252 107 P CA -0.311 62.837 63.100 0.079 0.000 0.778 107 P CB 1.106 32.880 31.700 0.123 0.000 0.895 108 V N 4.145 124.097 119.914 0.063 0.000 2.385 108 V HA 0.334 4.454 4.120 0.001 0.000 0.277 108 V C 0.131 176.255 176.094 0.050 0.000 1.012 108 V CA -0.521 61.818 62.300 0.066 0.000 0.832 108 V CB 0.891 32.743 31.823 0.048 0.000 1.028 108 V HN 0.416 nan 8.190 nan 0.000 0.436 109 K N 2.824 123.252 120.400 0.048 0.000 2.166 109 K HA 0.870 5.191 4.320 0.001 0.000 0.245 109 K C -0.006 176.520 176.600 -0.123 0.000 0.967 109 K CA -0.475 55.772 56.287 -0.067 0.000 0.863 109 K CB 1.972 34.372 32.500 -0.166 0.000 1.107 109 K HN 0.702 nan 8.250 nan 0.000 0.436 110 A N 2.497 125.199 122.820 -0.197 0.000 2.310 110 A HA 0.423 4.743 4.320 0.001 0.000 0.299 110 A C -1.551 175.825 177.584 -0.347 0.000 1.147 110 A CA -0.283 51.667 52.037 -0.143 0.000 0.818 110 A CB 0.127 19.085 19.000 -0.069 0.000 1.096 110 A HN 0.654 nan 8.150 nan 0.000 0.495 111 Y N 1.693 122.008 120.300 0.026 0.000 2.363 111 Y HA 0.437 4.988 4.550 0.001 0.000 0.325 111 Y C 1.225 177.138 175.900 0.021 0.000 0.984 111 Y CA 0.054 58.169 58.100 0.025 0.000 1.248 111 Y CB 1.594 40.070 38.460 0.027 0.000 1.116 111 Y HN 0.869 nan 8.280 nan 0.000 0.470 112 A N 1.511 124.401 122.820 0.118 0.000 1.881 112 A HA -0.308 4.012 4.320 0.001 0.000 0.219 112 A C 2.162 179.797 177.584 0.085 0.000 1.215 112 A CA 2.915 54.999 52.037 0.079 0.000 0.648 112 A CB -1.206 17.828 19.000 0.057 0.000 0.832 112 A HN 0.797 nan 8.150 nan 0.000 0.455 113 T N -2.095 112.519 114.554 0.101 0.000 3.077 113 T HA 0.107 4.457 4.350 0.001 0.000 0.269 113 T C 1.127 175.866 174.700 0.065 0.000 1.146 113 T CA 1.338 63.481 62.100 0.071 0.000 1.091 113 T CB -0.245 68.662 68.868 0.065 0.000 0.892 113 T HN 0.334 nan 8.240 nan 0.000 0.533 114 L N -0.488 120.792 121.223 0.096 0.000 3.016 114 L HA 0.422 4.762 4.340 0.001 0.000 0.267 114 L C 1.739 178.654 176.870 0.075 0.000 1.182 114 L CA -0.085 54.801 54.840 0.078 0.000 0.997 114 L CB 0.106 42.219 42.059 0.090 0.000 1.354 114 L HN 0.194 nan 8.230 nan 0.000 0.569 115 L N 0.826 122.091 121.223 0.071 0.000 2.141 115 L HA -0.183 4.157 4.340 0.001 0.000 0.209 115 L C 2.494 179.387 176.870 0.038 0.000 1.094 115 L CA 1.220 56.092 54.840 0.054 0.000 0.763 115 L CB -0.598 41.487 42.059 0.044 0.000 0.908 115 L HN 0.554 nan 8.230 nan 0.000 0.437 116 N N 1.373 120.092 118.700 0.032 0.000 2.205 116 N HA -0.212 4.528 4.740 0.001 0.000 0.186 116 N C 1.733 177.256 175.510 0.022 0.000 1.015 116 N CA 1.621 54.684 53.050 0.023 0.000 0.862 116 N CB -0.186 38.312 38.487 0.017 0.000 0.986 116 N HN 0.300 nan 8.380 nan 0.000 0.429 117 A N 0.778 123.613 122.820 0.026 0.000 1.969 117 A HA -0.011 4.309 4.320 0.001 0.000 0.218 117 A C 1.556 179.156 177.584 0.026 0.000 1.169 117 A CA 0.642 52.694 52.037 0.023 0.000 0.635 117 A CB -0.701 18.314 19.000 0.024 0.000 0.810 117 A HN 0.465 nan 8.150 nan 0.000 0.445 118 S N -0.204 115.515 115.700 0.033 0.000 2.563 118 S HA 0.143 4.613 4.470 0.001 0.000 0.269 118 S C -1.360 173.254 174.600 0.024 0.000 1.364 118 S CA -0.202 58.018 58.200 0.032 0.000 1.010 118 S CB 0.547 63.769 63.200 0.036 0.000 0.877 118 S HN 0.212 nan 8.310 nan 0.000 0.549 119 P HA 0.264 nan 4.420 nan 0.000 0.232 119 P C -0.512 176.799 177.300 0.018 0.000 1.170 119 P CA 0.279 63.390 63.100 0.018 0.000 0.824 119 P CB 0.077 31.788 31.700 0.017 0.000 0.896 120 L N -0.032 121.203 121.223 0.020 0.000 2.395 120 L HA 0.218 4.559 4.340 0.001 0.000 0.269 120 L C 0.804 177.685 176.870 0.018 0.000 1.133 120 L CA -0.706 54.146 54.840 0.019 0.000 0.812 120 L CB 0.164 42.236 42.059 0.023 0.000 1.125 120 L HN -0.231 nan 8.230 nan 0.000 0.452 121 K N 1.248 121.657 120.400 0.015 0.000 2.485 121 K HA -0.055 4.265 4.320 0.001 0.000 0.277 121 K C 1.107 177.716 176.600 0.015 0.000 0.990 121 K CA 0.149 56.444 56.287 0.013 0.000 0.994 121 K CB 0.584 33.090 32.500 0.011 0.000 0.906 121 K HN 0.477 nan 8.250 nan 0.000 0.488 122 R N 2.699 123.207 120.500 0.014 0.000 2.133 122 R HA -0.241 4.100 4.340 0.001 0.000 0.247 122 R C 1.497 177.804 176.300 0.012 0.000 1.151 122 R CA 2.400 58.509 56.100 0.015 0.000 0.971 122 R CB 0.018 30.326 30.300 0.013 0.000 0.866 122 R HN 0.772 nan 8.270 nan 0.000 0.447 123 E N -0.697 119.508 120.200 0.009 0.000 2.418 123 E HA -0.150 4.200 4.350 0.001 0.000 0.197 123 E C 1.683 178.287 176.600 0.007 0.000 1.026 123 E CA 0.583 56.987 56.400 0.006 0.000 0.862 123 E CB 0.039 29.742 29.700 0.004 0.000 0.799 123 E HN 0.399 nan 8.360 nan 0.000 0.518 124 R N 0.370 120.877 120.500 0.012 0.000 2.087 124 R HA 0.085 4.425 4.340 0.001 0.000 0.216 124 R C 2.399 178.712 176.300 0.021 0.000 1.114 124 R CA 0.824 56.933 56.100 0.015 0.000 1.002 124 R CB -0.108 30.203 30.300 0.018 0.000 0.903 124 R HN 0.091 nan 8.270 nan 0.000 0.445 125 V N 1.590 121.517 119.914 0.023 0.000 2.951 125 V HA -0.037 4.083 4.120 0.001 0.000 0.255 125 V C 0.681 176.786 176.094 0.019 0.000 1.088 125 V CA 0.639 62.955 62.300 0.027 0.000 1.109 125 V CB -0.096 31.746 31.823 0.031 0.000 0.724 125 V HN 0.220 nan 8.190 nan 0.000 0.471 126 E N 0.493 120.700 120.200 0.013 0.000 2.413 126 E HA -0.027 4.324 4.350 0.001 0.000 0.263 126 E C 0.778 177.375 176.600 -0.004 0.000 1.015 126 E CA 0.564 56.966 56.400 0.003 0.000 0.916 126 E CB 0.198 29.901 29.700 0.004 0.000 0.947 126 E HN 0.557 nan 8.360 nan 0.000 0.440 127 N N 0.743 119.433 118.700 -0.017 0.000 2.967 127 N HA -0.185 4.555 4.740 0.001 0.000 0.212 127 N C -0.599 174.902 175.510 -0.016 0.000 0.884 127 N CA 0.865 53.902 53.050 -0.021 0.000 1.030 127 N CB -1.363 37.116 38.487 -0.014 0.000 1.018 127 N HN 0.234 nan 8.380 nan 0.000 0.596 128 V N 1.634 121.544 119.914 -0.006 0.000 2.788 128 V HA 0.180 4.300 4.120 0.001 0.000 0.307 128 V C 0.658 176.747 176.094 -0.007 0.000 1.069 128 V CA 1.050 63.358 62.300 0.013 0.000 1.173 128 V CB 1.081 32.921 31.823 0.028 0.000 0.925 128 V HN 0.441 nan 8.190 nan 0.000 0.492 129 D N 2.950 123.362 120.400 0.019 0.000 2.686 129 D HA 0.346 4.986 4.640 0.001 0.000 0.229 129 D C -1.097 175.232 176.300 0.048 0.000 1.391 129 D CA -0.473 53.535 54.000 0.012 0.000 0.948 129 D CB 0.033 40.826 40.800 -0.012 0.000 1.513 129 D HN 0.350 nan 8.370 nan 0.000 0.522 130 L N -0.237 121.022 121.223 0.061 0.000 2.250 130 L HA 0.979 5.319 4.340 0.001 0.000 0.252 130 L C -1.178 175.724 176.870 0.053 0.000 1.054 130 L CA -1.228 53.658 54.840 0.077 0.000 0.856 130 L CB 1.373 43.502 42.059 0.117 0.000 1.443 130 L HN -0.049 nan 8.230 nan 0.000 0.427 131 V N 1.206 121.143 119.914 0.038 0.000 2.668 131 V HA 0.482 4.603 4.120 0.001 0.000 0.304 131 V C -0.855 175.226 176.094 -0.023 0.000 1.071 131 V CA -0.180 62.129 62.300 0.014 0.000 0.894 131 V CB 1.649 33.486 31.823 0.023 0.000 1.008 131 V HN 0.641 nan 8.190 nan 0.000 0.425 132 I N 5.047 125.595 120.570 -0.037 0.000 2.315 132 I HA 0.389 4.559 4.170 0.001 0.000 0.291 132 I C -0.043 176.048 176.117 -0.042 0.000 1.006 132 I CA 0.089 61.357 61.300 -0.054 0.000 1.265 132 I CB 1.689 39.653 38.000 -0.061 0.000 1.387 132 I HN 0.364 nan 8.210 nan 0.000 0.475 133 V N 7.514 127.408 119.914 -0.032 0.000 2.370 133 V HA 0.510 4.631 4.120 0.001 0.000 0.283 133 V C 0.154 176.266 176.094 0.030 0.000 1.023 133 V CA -0.812 61.476 62.300 -0.020 0.000 0.857 133 V CB 1.319 33.127 31.823 -0.025 0.000 0.985 133 V HN 0.626 nan 8.190 nan 0.000 0.443 134 R N 3.384 123.902 120.500 0.031 0.000 2.494 134 R HA 0.380 4.720 4.340 0.001 0.000 0.305 134 R C -0.409 175.955 176.300 0.107 0.000 0.959 134 R CA -0.606 55.532 56.100 0.064 0.000 0.864 134 R CB 1.549 31.865 30.300 0.027 0.000 1.159 134 R HN 0.736 nan 8.270 nan 0.000 0.446 135 E N 4.738 125.041 120.200 0.172 0.000 2.338 135 E HA 0.038 4.388 4.350 0.001 0.000 0.272 135 E C -0.058 176.645 176.600 0.172 0.000 1.029 135 E CA 0.124 56.658 56.400 0.223 0.000 0.872 135 E CB 1.100 30.982 29.700 0.303 0.000 1.015 135 E HN 0.707 nan 8.360 nan 0.000 0.417 136 L N 2.772 124.095 121.223 0.168 0.000 2.701 136 L HA 0.056 4.396 4.340 0.001 0.000 0.238 136 L C 1.847 178.732 176.870 0.025 0.000 1.106 136 L CA 0.661 55.571 54.840 0.118 0.000 0.898 136 L CB 0.307 42.426 42.059 0.102 0.000 1.188 136 L HN 0.535 nan 8.230 nan 0.000 0.508 137 T N -3.560 110.951 114.554 -0.072 0.000 3.037 137 T HA 0.294 4.645 4.350 0.001 0.000 0.251 137 T C 0.880 175.042 174.700 -0.896 0.000 1.079 137 T CA 0.419 62.260 62.100 -0.433 0.000 1.067 137 T CB 0.476 69.233 68.868 -0.185 0.000 0.948 137 T HN 0.196 nan 8.240 nan 0.000 0.496 138 G N -0.641 107.858 108.800 -0.502 0.000 3.262 138 G HA2 0.675 4.636 3.960 0.001 0.000 0.229 138 G HA3 0.675 4.636 3.960 0.001 0.000 0.229 138 G C 0.202 174.695 174.900 -0.679 0.000 1.280 138 G CA -0.359 44.318 45.100 -0.705 0.000 0.951 138 G HN 1.014 nan 8.290 nan 0.000 0.589 139 G N -1.614 106.457 108.800 -1.214 0.000 2.472 139 G HA2 0.141 4.101 3.960 0.001 0.000 0.205 139 G HA3 0.141 4.101 3.960 0.001 0.000 0.205 139 G C 0.319 175.115 174.900 -0.173 0.000 1.270 139 G CA 0.215 44.901 45.100 -0.689 0.000 0.974 139 G HN 1.584 nan 8.290 nan 0.000 0.542 140 L N -0.091 121.106 121.223 -0.043 0.000 2.599 140 L HA 0.445 4.785 4.340 0.001 0.000 0.230 140 L C 1.869 178.873 176.870 0.225 0.000 1.141 140 L CA 1.048 55.934 54.840 0.077 0.000 0.877 140 L CB -0.629 41.471 42.059 0.069 0.000 1.009 140 L HN 0.558 nan 8.230 nan 0.000 0.447 141 Y N -2.090 118.149 120.300 -0.101 0.000 2.503 141 Y HA 0.146 4.696 4.550 0.000 0.000 0.278 141 Y C 1.523 177.103 175.900 -0.534 0.000 1.111 141 Y CA 0.300 58.209 58.100 -0.318 0.000 1.270 141 Y CB -0.241 37.968 38.460 -0.417 0.000 1.063 141 Y HN 0.145 nan 8.280 nan 0.000 0.548 142 F N -1.298 118.673 119.950 0.035 0.000 2.712 142 F HA 0.389 4.916 4.527 0.001 0.000 0.297 142 F C 1.811 177.586 175.800 -0.041 0.000 1.114 142 F CA -0.443 57.548 58.000 -0.016 0.000 1.305 142 F CB -0.736 38.238 39.000 -0.042 0.000 1.086 142 F HN -0.191 nan 8.300 nan 0.000 0.599 143 G N 1.445 110.317 108.800 0.119 0.000 2.568 143 G HA2 0.311 4.272 3.960 0.001 0.000 0.231 143 G HA3 0.311 4.272 3.960 0.001 0.000 0.231 143 G C -0.195 174.718 174.900 0.022 0.000 1.261 143 G CA -0.167 44.958 45.100 0.043 0.000 0.855 143 G HN 0.229 nan 8.290 nan 0.000 0.576 144 R N 0.993 121.502 120.500 0.016 0.000 2.668 144 R HA 0.365 4.706 4.340 0.001 0.000 0.272 144 R C -2.434 173.868 176.300 0.005 0.000 1.019 144 R CA -1.440 54.663 56.100 0.006 0.000 0.894 144 R CB 2.432 32.738 30.300 0.011 0.000 1.228 144 R HN 0.492 nan 8.270 nan 0.000 0.460 145 P HA 0.025 nan 4.420 nan 0.000 0.269 145 P C -0.846 176.447 177.300 -0.011 0.000 1.209 145 P CA -0.094 63.004 63.100 -0.004 0.000 0.776 145 P CB 1.256 32.954 31.700 -0.004 0.000 0.876 146 S N 1.257 116.947 115.700 -0.017 0.000 2.383 146 S HA 0.334 4.804 4.470 0.001 0.000 0.196 146 S C -0.646 173.938 174.600 -0.028 0.000 1.364 146 S CA -0.577 57.606 58.200 -0.028 0.000 1.212 146 S CB -0.164 63.011 63.200 -0.042 0.000 1.171 146 S HN 0.630 nan 8.310 nan 0.000 0.456 147 E N 2.357 122.543 120.200 -0.023 0.000 2.447 147 E HA 0.516 4.867 4.350 0.001 0.000 0.279 147 E C -1.280 175.310 176.600 -0.018 0.000 1.053 147 E CA -1.344 55.044 56.400 -0.021 0.000 0.840 147 E CB 1.068 30.759 29.700 -0.016 0.000 1.409 147 E HN 0.355 nan 8.360 nan 0.000 0.461 148 R N 0.298 120.788 120.500 -0.016 0.000 2.668 148 R HA 0.630 4.970 4.340 0.001 0.000 0.279 148 R C -0.470 175.823 176.300 -0.011 0.000 0.976 148 R CA -0.992 55.100 56.100 -0.014 0.000 0.978 148 R CB 1.703 31.994 30.300 -0.015 0.000 1.133 148 R HN 0.427 nan 8.270 nan 0.000 0.484 149 R N 0.196 120.691 120.500 -0.009 0.000 2.502 149 R HA 0.266 4.606 4.340 0.001 0.000 0.298 149 R C 0.034 176.330 176.300 -0.006 0.000 1.018 149 R CA -0.535 55.561 56.100 -0.007 0.000 0.899 149 R CB 2.100 32.396 30.300 -0.006 0.000 1.181 149 R HN 0.836 nan 8.270 nan 0.000 0.444 150 G N 3.033 111.830 108.800 -0.006 0.000 2.785 150 G HA2 0.103 4.063 3.960 0.001 0.000 0.256 150 G HA3 0.103 4.063 3.960 0.001 0.000 0.256 150 G C -1.954 172.943 174.900 -0.004 0.000 1.248 150 G CA -0.686 44.411 45.100 -0.005 0.000 0.914 150 G HN 0.307 nan 8.290 nan 0.000 0.580 151 P HA 0.298 nan 4.420 nan 0.000 0.271 151 P C 0.630 177.927 177.300 -0.004 0.000 1.226 151 P CA 1.119 64.217 63.100 -0.004 0.000 0.765 151 P CB 0.896 32.594 31.700 -0.003 0.000 0.835 152 G N 2.894 111.691 108.800 -0.005 0.000 2.305 152 G HA2 -0.325 3.635 3.960 0.001 0.000 0.287 152 G HA3 -0.325 3.635 3.960 0.001 0.000 0.287 152 G C 0.078 174.974 174.900 -0.006 0.000 1.036 152 G CA 0.275 45.372 45.100 -0.005 0.000 0.887 152 G HN 0.696 nan 8.290 nan 0.000 0.505 153 E N -1.566 118.630 120.200 -0.007 0.000 2.197 153 E HA -0.263 4.088 4.350 0.001 0.000 0.184 153 E C 1.101 177.697 176.600 -0.007 0.000 1.439 153 E CA 0.494 56.889 56.400 -0.008 0.000 0.688 153 E CB -0.812 28.882 29.700 -0.009 0.000 1.090 153 E HN 0.523 nan 8.360 nan 0.000 0.341 154 N N 0.845 119.541 118.700 -0.006 0.000 2.354 154 N HA -0.098 4.643 4.740 0.001 0.000 0.179 154 N C 0.509 176.015 175.510 -0.006 0.000 1.021 154 N CA 0.986 54.033 53.050 -0.005 0.000 0.887 154 N CB 0.404 38.889 38.487 -0.004 0.000 0.974 154 N HN 0.604 nan 8.380 nan 0.000 0.437 155 E N 0.079 120.275 120.200 -0.006 0.000 2.299 155 E HA 0.394 4.745 4.350 0.001 0.000 0.265 155 E C -1.624 174.970 176.600 -0.009 0.000 0.911 155 E CA -0.627 55.770 56.400 -0.006 0.000 0.789 155 E CB 2.397 32.094 29.700 -0.005 0.000 1.246 155 E HN -0.165 nan 8.360 nan 0.000 0.427 156 V N 2.704 122.613 119.914 -0.009 0.000 3.012 156 V HA 0.671 4.792 4.120 0.001 0.000 0.307 156 V C -1.436 174.651 176.094 -0.012 0.000 1.166 156 V CA -0.371 61.922 62.300 -0.013 0.000 0.974 156 V CB 1.995 33.808 31.823 -0.016 0.000 1.040 156 V HN 0.607 nan 8.190 nan 0.000 0.428 157 V N 1.674 121.579 119.914 -0.015 0.000 3.048 157 V HA 0.802 4.923 4.120 0.001 0.000 0.303 157 V C -1.442 174.641 176.094 -0.018 0.000 1.214 157 V CA -0.601 61.691 62.300 -0.013 0.000 0.984 157 V CB 2.168 33.986 31.823 -0.009 0.000 1.054 157 V HN 0.837 nan 8.190 nan 0.000 0.430 158 D N 0.938 121.327 120.400 -0.017 0.000 2.523 158 D HA 0.730 5.371 4.640 0.001 0.000 0.236 158 D C -1.017 175.276 176.300 -0.012 0.000 1.094 158 D CA -0.206 53.781 54.000 -0.022 0.000 0.942 158 D CB 2.667 43.450 40.800 -0.029 0.000 1.447 158 D HN 0.802 nan 8.370 nan 0.000 0.479 159 T N 1.177 115.725 114.554 -0.010 0.000 2.881 159 T HA 0.288 4.638 4.350 0.001 0.000 0.291 159 T C -0.538 174.158 174.700 -0.007 0.000 0.990 159 T CA -0.523 61.574 62.100 -0.004 0.000 0.976 159 T CB 1.153 70.021 68.868 -0.000 0.000 0.970 159 T HN 0.096 nan 8.240 nan 0.000 0.438 160 L N 4.339 125.555 121.223 -0.012 0.000 2.295 160 L HA 0.747 5.088 4.340 0.001 0.000 0.288 160 L C -0.240 176.610 176.870 -0.034 0.000 1.079 160 L CA -0.178 54.640 54.840 -0.035 0.000 0.830 160 L CB -0.586 41.457 42.059 -0.026 0.000 1.200 160 L HN 0.766 nan 8.230 nan 0.000 0.438 161 A N 4.551 127.313 122.820 -0.096 0.000 2.371 161 A HA 0.785 5.105 4.320 0.001 0.000 0.311 161 A C -1.706 175.766 177.584 -0.186 0.000 1.068 161 A CA -0.385 51.611 52.037 -0.067 0.000 0.744 161 A CB 0.898 19.881 19.000 -0.030 0.000 1.239 161 A HN 0.591 nan 8.150 nan 0.000 0.435 162 Y N -0.312 119.998 120.300 0.018 0.000 2.597 162 Y HA 0.626 5.176 4.550 0.000 0.000 0.340 162 Y C 0.441 176.335 175.900 -0.009 0.000 1.097 162 Y CA -0.336 57.766 58.100 0.004 0.000 1.037 162 Y CB 2.536 41.019 38.460 0.039 0.000 1.305 162 Y HN 0.817 nan 8.280 nan 0.000 0.463 163 T N -1.151 113.522 114.554 0.199 0.000 2.823 163 T HA 0.348 4.699 4.350 0.001 0.000 0.279 163 T C 0.958 175.670 174.700 0.020 0.000 0.998 163 T CA -0.898 61.245 62.100 0.071 0.000 0.994 163 T CB 1.802 70.683 68.868 0.021 0.000 0.960 163 T HN 0.813 nan 8.240 nan 0.000 0.448 164 R N 1.257 121.752 120.500 -0.008 0.000 2.178 164 R HA -0.243 4.097 4.340 0.001 0.000 0.257 164 R C 1.950 178.189 176.300 -0.101 0.000 1.163 164 R CA 2.329 58.397 56.100 -0.052 0.000 0.981 164 R CB -0.227 30.050 30.300 -0.039 0.000 0.878 164 R HN 0.912 nan 8.270 nan 0.000 0.454 165 E N -0.001 120.143 120.200 -0.093 0.000 2.152 165 E HA -0.168 4.183 4.350 0.001 0.000 0.192 165 E C 1.452 177.932 176.600 -0.200 0.000 0.983 165 E CA 1.032 57.352 56.400 -0.133 0.000 0.818 165 E CB 0.125 29.761 29.700 -0.107 0.000 0.758 165 E HN 0.535 nan 8.360 nan 0.000 0.467 166 E N 0.289 120.395 120.200 -0.156 0.000 2.106 166 E HA -0.134 4.217 4.350 0.001 0.000 0.192 166 E C 2.146 178.573 176.600 -0.288 0.000 0.984 166 E CA 0.877 57.167 56.400 -0.183 0.000 0.806 166 E CB 0.057 29.775 29.700 0.030 0.000 0.750 166 E HN 0.355 nan 8.360 nan 0.000 0.458 167 I N 1.020 121.402 120.570 -0.313 0.000 2.286 167 I HA -0.202 3.968 4.170 0.001 0.000 0.245 167 I C 2.235 178.045 176.117 -0.512 0.000 1.104 167 I CA 1.024 62.026 61.300 -0.497 0.000 1.397 167 I CB -0.180 37.575 38.000 -0.407 0.000 1.072 167 I HN 0.069 nan 8.210 nan 0.000 0.417 168 E N 1.171 121.163 120.200 -0.347 0.000 2.031 168 E HA -0.249 4.102 4.350 0.001 0.000 0.193 168 E C 2.234 178.674 176.600 -0.267 0.000 0.994 168 E CA 1.384 57.618 56.400 -0.277 0.000 0.800 168 E CB -0.187 29.401 29.700 -0.185 0.000 0.752 168 E HN 0.487 nan 8.360 nan 0.000 0.447 169 R N 0.710 121.018 120.500 -0.321 0.000 2.159 169 R HA -0.165 4.176 4.340 0.001 0.000 0.237 169 R C 2.162 178.266 176.300 -0.326 0.000 1.131 169 R CA 1.395 57.271 56.100 -0.373 0.000 0.982 169 R CB -0.446 29.459 30.300 -0.658 0.000 0.868 169 R HN 0.141 nan 8.270 nan 0.000 0.453 170 I N 1.352 121.716 120.570 -0.343 0.000 2.235 170 I HA -0.061 4.110 4.170 0.001 0.000 0.241 170 I C 2.150 178.208 176.117 -0.099 0.000 1.085 170 I CA 0.806 62.044 61.300 -0.102 0.000 1.378 170 I CB -0.090 37.852 38.000 -0.097 0.000 1.076 170 I HN 0.143 nan 8.210 nan 0.000 0.415 171 I N 0.388 120.798 120.570 -0.268 0.000 2.335 171 I HA -0.268 3.902 4.170 0.001 0.000 0.251 171 I C 2.443 178.563 176.117 0.006 0.000 1.129 171 I CA 1.104 62.274 61.300 -0.216 0.000 1.402 171 I CB -0.531 37.263 38.000 -0.343 0.000 1.069 171 I HN 0.333 nan 8.210 nan 0.000 0.424 172 E N 1.331 121.543 120.200 0.021 0.000 2.012 172 E HA -0.288 4.062 4.350 0.001 0.000 0.197 172 E C 2.105 178.753 176.600 0.079 0.000 1.007 172 E CA 1.608 58.065 56.400 0.095 0.000 0.816 172 E CB -0.108 29.622 29.700 0.052 0.000 0.762 172 E HN 0.229 nan 8.360 nan 0.000 0.451 173 K N 0.510 120.959 120.400 0.081 0.000 2.152 173 K HA -0.080 4.240 4.320 0.001 0.000 0.206 173 K C 1.789 178.388 176.600 -0.001 0.000 1.048 173 K CA 1.387 57.721 56.287 0.078 0.000 0.933 173 K CB -0.364 32.224 32.500 0.147 0.000 0.721 173 K HN 0.121 nan 8.250 nan 0.000 0.447 174 A N -0.589 122.205 122.820 -0.043 0.000 1.969 174 A HA -0.042 4.279 4.320 0.001 0.000 0.218 174 A C 1.911 179.364 177.584 -0.218 0.000 1.169 174 A CA 1.032 52.990 52.037 -0.131 0.000 0.635 174 A CB -0.643 18.257 19.000 -0.166 0.000 0.810 174 A HN 0.349 nan 8.150 nan 0.000 0.445 175 F N 0.234 120.020 119.950 -0.273 0.000 2.206 175 F HA -0.105 4.422 4.527 0.001 0.000 0.298 175 F C 2.665 178.164 175.800 -0.503 0.000 1.090 175 F CA 1.681 59.368 58.000 -0.521 0.000 1.323 175 F CB -0.348 38.067 39.000 -0.974 0.000 1.028 175 F HN 0.296 nan 8.300 nan 0.000 0.492 176 Q N -0.122 119.613 119.800 -0.108 0.000 2.124 176 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 176 Q C 2.260 178.315 176.000 0.091 0.000 0.977 176 Q CA 1.433 57.278 55.803 0.070 0.000 0.850 176 Q CB -0.312 28.505 28.738 0.132 0.000 0.901 176 Q HN 0.435 nan 8.270 nan 0.000 0.429 177 L N -0.081 121.166 121.223 0.041 0.000 2.109 177 L HA -0.104 4.237 4.340 0.001 0.000 0.207 177 L C 2.491 179.410 176.870 0.082 0.000 1.086 177 L CA 0.776 55.666 54.840 0.083 0.000 0.760 177 L CB -0.604 41.462 42.059 0.011 0.000 0.910 177 L HN 0.194 nan 8.230 nan 0.000 0.437 178 A N -0.191 122.643 122.820 0.023 0.000 1.972 178 A HA -0.269 4.051 4.320 0.001 0.000 0.219 178 A C 2.214 179.846 177.584 0.080 0.000 1.169 178 A CA 1.696 53.752 52.037 0.031 0.000 0.635 178 A CB -0.464 18.522 19.000 -0.024 0.000 0.810 178 A HN 0.392 nan 8.150 nan 0.000 0.446 179 Q N 0.685 120.554 119.800 0.114 0.000 2.096 179 Q HA -0.173 4.168 4.340 0.001 0.000 0.204 179 Q C 1.724 177.798 176.000 0.124 0.000 0.982 179 Q CA 2.370 58.269 55.803 0.160 0.000 0.850 179 Q CB -0.593 28.290 28.738 0.242 0.000 0.901 179 Q HN 0.850 nan 8.270 nan 0.000 0.422 180 I N -3.589 117.053 120.570 0.120 0.000 3.427 180 I HA 0.168 4.339 4.170 0.001 0.000 0.288 180 I C 1.852 178.019 176.117 0.083 0.000 1.249 180 I CA -0.004 61.356 61.300 0.100 0.000 1.421 180 I CB 0.077 38.144 38.000 0.112 0.000 1.086 180 I HN -0.047 nan 8.210 nan 0.000 0.448 181 R N 1.606 122.159 120.500 0.090 0.000 1.654 181 R HA 0.355 4.695 4.340 0.001 0.000 0.124 181 R C 0.715 177.048 176.300 0.055 0.000 1.833 181 R CA 0.057 56.201 56.100 0.074 0.000 1.809 181 R CB 0.132 30.482 30.300 0.083 0.000 1.113 181 R HN 0.178 nan 8.270 nan 0.000 0.531 182 R N 0.519 121.048 120.500 0.049 0.000 2.690 182 R HA 0.205 4.546 4.340 0.001 0.000 0.419 182 R C -0.584 175.740 176.300 0.039 0.000 1.090 182 R CA -0.036 56.087 56.100 0.038 0.000 1.064 182 R CB 0.674 30.990 30.300 0.026 0.000 1.391 182 R HN 0.337 nan 8.270 nan 0.000 0.586 183 K N 0.845 121.277 120.400 0.053 0.000 2.960 183 K HA -0.253 4.067 4.320 0.001 0.000 0.259 183 K C -0.591 176.036 176.600 0.044 0.000 1.025 183 K CA 1.239 57.564 56.287 0.064 0.000 0.756 183 K CB -0.897 31.645 32.500 0.070 0.000 1.221 183 K HN 0.228 nan 8.250 nan 0.000 0.483 184 K N 0.672 121.085 120.400 0.022 0.000 2.345 184 K HA 0.525 4.846 4.320 0.001 0.000 0.255 184 K C -1.235 175.351 176.600 -0.023 0.000 0.934 184 K CA -0.997 55.291 56.287 0.002 0.000 0.801 184 K CB 1.520 34.020 32.500 0.001 0.000 1.137 184 K HN -0.019 nan 8.250 nan 0.000 0.424 185 L N 2.200 123.387 121.223 -0.060 0.000 2.476 185 L HA 0.543 4.883 4.340 0.001 0.000 0.269 185 L C -1.564 175.252 176.870 -0.090 0.000 0.965 185 L CA -0.349 54.416 54.840 -0.125 0.000 0.845 185 L CB 1.823 43.678 42.059 -0.339 0.000 1.259 185 L HN 0.713 nan 8.230 nan 0.000 0.403 186 A N 3.175 125.991 122.820 -0.007 0.000 2.249 186 A HA 0.678 4.999 4.320 0.001 0.000 0.314 186 A C -0.290 177.315 177.584 0.035 0.000 1.290 186 A CA -0.278 51.790 52.037 0.051 0.000 0.893 186 A CB 0.672 19.803 19.000 0.218 0.000 1.165 186 A HN 0.738 nan 8.150 nan 0.000 0.530 187 S N 2.657 118.396 115.700 0.065 0.000 2.422 187 S HA 0.508 4.978 4.470 0.001 0.000 0.298 187 S C -0.350 174.363 174.600 0.189 0.000 1.118 187 S CA -0.420 57.901 58.200 0.202 0.000 1.083 187 S CB 0.059 63.463 63.200 0.341 0.000 0.971 187 S HN 0.641 nan 8.310 nan 0.000 0.478 188 V N 5.928 125.890 119.914 0.079 0.000 2.427 188 V HA 0.586 4.707 4.120 0.001 0.000 0.286 188 V C -0.134 175.832 176.094 -0.213 0.000 1.034 188 V CA -0.616 61.644 62.300 -0.067 0.000 0.893 188 V CB 1.300 33.037 31.823 -0.143 0.000 0.982 188 V HN 1.017 nan 8.190 nan 0.000 0.452 189 D N 3.512 123.784 120.400 -0.215 0.000 3.057 189 D HA 0.506 5.146 4.640 0.001 0.000 0.328 189 D C -0.424 175.778 176.300 -0.163 0.000 1.317 189 D CA -0.831 53.042 54.000 -0.212 0.000 0.973 189 D CB 1.354 42.027 40.800 -0.211 0.000 1.424 189 D HN 0.242 nan 8.370 nan 0.000 0.569 190 K N -1.093 119.299 120.400 -0.013 0.000 3.054 190 K HA 0.586 4.906 4.320 0.001 0.000 0.203 190 K C 0.459 177.069 176.600 0.018 0.000 1.126 190 K CA 0.173 56.459 56.287 -0.000 0.000 1.023 190 K CB 0.184 32.761 32.500 0.129 0.000 0.722 190 K HN 0.491 nan 8.250 nan 0.000 0.441 191 A N 0.851 123.667 122.820 -0.006 0.000 2.298 191 A HA -0.204 4.117 4.320 0.001 0.000 0.215 191 A C 1.125 178.709 177.584 0.000 0.000 1.193 191 A CA 1.679 53.716 52.037 -0.001 0.000 0.697 191 A CB -1.097 17.887 19.000 -0.028 0.000 0.774 191 A HN 0.755 nan 8.150 nan 0.000 0.492 192 N N -2.157 116.543 118.700 0.001 0.000 2.235 192 N HA 0.250 4.990 4.740 0.001 0.000 0.209 192 N C 0.374 175.891 175.510 0.012 0.000 1.122 192 N CA 0.455 53.507 53.050 0.003 0.000 0.845 192 N CB 0.724 39.210 38.487 -0.002 0.000 1.004 192 N HN 0.094 nan 8.380 nan 0.000 0.499 193 V N -0.360 119.567 119.914 0.022 0.000 3.154 193 V HA 0.194 4.315 4.120 0.001 0.000 0.221 193 V C -0.006 176.109 176.094 0.036 0.000 1.504 193 V CA -0.065 62.252 62.300 0.028 0.000 1.243 193 V CB 0.423 32.266 31.823 0.034 0.000 1.115 193 V HN 0.129 nan 8.190 nan 0.000 0.481 194 L N 1.244 122.495 121.223 0.046 0.000 2.295 194 L HA 0.514 4.855 4.340 0.001 0.000 0.285 194 L C 1.295 178.194 176.870 0.049 0.000 1.035 194 L CA -0.148 54.722 54.840 0.049 0.000 0.806 194 L CB 1.541 43.635 42.059 0.059 0.000 1.214 194 L HN 0.131 nan 8.230 nan 0.000 0.426 195 E N 1.303 121.532 120.200 0.048 0.000 2.268 195 E HA -0.160 4.190 4.350 0.001 0.000 0.195 195 E C 1.841 178.484 176.600 0.073 0.000 0.995 195 E CA 1.533 57.964 56.400 0.052 0.000 0.836 195 E CB 0.230 29.957 29.700 0.045 0.000 0.763 195 E HN 0.736 nan 8.360 nan 0.000 0.491 196 S N -1.330 114.422 115.700 0.086 0.000 2.406 196 S HA -0.039 4.432 4.470 0.001 0.000 0.228 196 S C 2.095 176.780 174.600 0.141 0.000 1.020 196 S CA 0.988 59.264 58.200 0.128 0.000 0.965 196 S CB -0.160 63.132 63.200 0.153 0.000 0.798 196 S HN 0.131 nan 8.310 nan 0.000 0.488 197 S N 1.455 117.212 115.700 0.094 0.000 2.446 197 S HA 0.176 4.646 4.470 0.001 0.000 0.225 197 S C 1.931 176.599 174.600 0.113 0.000 1.016 197 S CA 0.264 58.513 58.200 0.081 0.000 0.943 197 S CB -0.151 63.068 63.200 0.031 0.000 0.786 197 S HN 0.481 nan 8.310 nan 0.000 0.508 198 R N 0.867 121.417 120.500 0.082 0.000 2.066 198 R HA 0.064 4.404 4.340 0.001 0.000 0.232 198 R C 2.449 178.799 176.300 0.083 0.000 1.131 198 R CA 1.413 57.549 56.100 0.060 0.000 0.955 198 R CB -0.280 30.045 30.300 0.042 0.000 0.851 198 R HN 0.357 nan 8.270 nan 0.000 0.432 199 M N -0.169 119.490 119.600 0.099 0.000 2.117 199 M HA -0.209 4.271 4.480 0.001 0.000 0.262 199 M C 1.980 178.354 176.300 0.123 0.000 1.065 199 M CA 1.543 56.895 55.300 0.087 0.000 1.114 199 M CB -0.247 32.399 32.600 0.078 0.000 1.361 199 M HN 0.359 nan 8.290 nan 0.000 0.408 200 W N 1.443 122.720 121.300 -0.040 0.000 2.335 200 W HA -0.257 4.403 4.660 0.001 0.000 0.311 200 W C 2.275 178.783 176.519 -0.018 0.000 1.213 200 W CA 1.985 59.298 57.345 -0.052 0.000 1.274 200 W CB -0.787 28.635 29.460 -0.063 0.000 1.148 200 W HN 0.296 nan 8.180 nan 0.000 0.498 201 R N 0.638 121.351 120.500 0.355 0.000 2.080 201 R HA -0.215 4.125 4.340 0.001 0.000 0.236 201 R C 2.323 178.683 176.300 0.100 0.000 1.137 201 R CA 2.346 58.558 56.100 0.187 0.000 0.943 201 R CB -0.710 29.550 30.300 -0.065 0.000 0.846 201 R HN 0.117 nan 8.270 nan 0.000 0.431 202 E N 0.142 120.378 120.200 0.059 0.000 2.086 202 E HA -0.231 4.119 4.350 0.001 0.000 0.200 202 E C 1.951 178.566 176.600 0.024 0.000 1.012 202 E CA 1.973 58.396 56.400 0.038 0.000 0.812 202 E CB -0.126 29.589 29.700 0.025 0.000 0.743 202 E HN 0.440 nan 8.360 nan 0.000 0.453 203 I N 0.216 120.776 120.570 -0.017 0.000 2.394 203 I HA -0.227 3.943 4.170 0.001 0.000 0.251 203 I C 2.351 178.437 176.117 -0.051 0.000 1.136 203 I CA 0.704 61.960 61.300 -0.073 0.000 1.425 203 I CB -0.225 37.672 38.000 -0.171 0.000 1.079 203 I HN 0.133 nan 8.210 nan 0.000 0.425 204 A N 0.412 123.220 122.820 -0.020 0.000 1.897 204 A HA -0.214 4.106 4.320 0.001 0.000 0.215 204 A C 2.186 179.905 177.584 0.226 0.000 1.181 204 A CA 1.512 53.621 52.037 0.121 0.000 0.620 204 A CB -0.463 18.639 19.000 0.169 0.000 0.821 204 A HN 0.301 nan 8.150 nan 0.000 0.443 205 E N 0.765 121.087 120.200 0.202 0.000 2.171 205 E HA -0.143 4.207 4.350 0.001 0.000 0.197 205 E C 0.317 176.974 176.600 0.095 0.000 0.997 205 E CA 1.050 57.561 56.400 0.185 0.000 0.810 205 E CB -0.053 29.745 29.700 0.163 0.000 0.738 205 E HN 0.481 nan 8.360 nan 0.000 0.467 206 E N -0.379 119.851 120.200 0.049 0.000 2.427 206 E HA 0.187 4.538 4.350 0.001 0.000 0.259 206 E C -0.295 176.277 176.600 -0.046 0.000 1.267 206 E CA 0.007 56.406 56.400 -0.003 0.000 1.425 206 E CB 0.663 30.357 29.700 -0.010 0.000 1.482 206 E HN 0.120 nan 8.360 nan 0.000 0.460 207 T N -2.048 112.443 114.554 -0.105 0.000 3.320 207 T HA 0.062 4.413 4.350 0.001 0.000 0.265 207 T C 1.537 175.886 174.700 -0.586 0.000 0.835 207 T CA 0.282 62.211 62.100 -0.285 0.000 0.839 207 T CB -0.015 68.702 68.868 -0.252 0.000 1.241 207 T HN 0.241 nan 8.240 nan 0.000 0.654 208 A N 2.454 125.060 122.820 -0.356 0.000 1.883 208 A HA -0.119 4.201 4.320 0.001 0.000 0.217 208 A C 2.076 179.586 177.584 -0.124 0.000 1.186 208 A CA 1.934 53.856 52.037 -0.192 0.000 0.624 208 A CB -0.564 18.506 19.000 0.117 0.000 0.822 208 A HN 0.474 nan 8.150 nan 0.000 0.444 209 K N 0.075 120.424 120.400 -0.085 0.000 2.127 209 K HA -0.214 4.107 4.320 0.001 0.000 0.208 209 K C 1.771 178.310 176.600 -0.103 0.000 1.047 209 K CA 1.813 58.061 56.287 -0.066 0.000 0.927 209 K CB -0.218 32.250 32.500 -0.053 0.000 0.716 209 K HN 0.597 nan 8.250 nan 0.000 0.450 210 K N -0.298 120.012 120.400 -0.149 0.000 2.366 210 K HA -0.061 4.259 4.320 0.001 0.000 0.198 210 K C 0.108 176.468 176.600 -0.399 0.000 1.044 210 K CA 0.803 56.944 56.287 -0.244 0.000 0.973 210 K CB 0.179 32.531 32.500 -0.247 0.000 0.767 210 K HN 0.169 nan 8.250 nan 0.000 0.475 211 Y N 1.572 121.717 120.300 -0.258 0.000 2.658 211 Y HA 0.197 4.747 4.550 0.000 0.000 0.362 211 Y C -1.773 174.091 175.900 -0.060 0.000 1.017 211 Y CA -2.583 55.427 58.100 -0.149 0.000 1.134 211 Y CB 0.931 39.293 38.460 -0.162 0.000 1.144 211 Y HN -0.047 nan 8.280 nan 0.000 0.655 212 P HA -0.175 nan 4.420 nan 0.000 0.218 212 P C 0.234 177.579 177.300 0.075 0.000 1.148 212 P CA 1.537 64.665 63.100 0.045 0.000 0.822 212 P CB 0.281 31.983 31.700 0.005 0.000 0.784 213 D N -0.566 119.887 120.400 0.089 0.000 2.519 213 D HA 0.183 4.823 4.640 0.001 0.000 0.238 213 D C -0.075 176.300 176.300 0.126 0.000 1.192 213 D CA -0.506 53.548 54.000 0.090 0.000 0.835 213 D CB -0.476 40.367 40.800 0.070 0.000 0.975 213 D HN -0.026 nan 8.370 nan 0.000 0.490 214 V N 0.194 120.207 119.914 0.165 0.000 2.709 214 V HA 0.243 4.363 4.120 0.001 0.000 0.308 214 V C -0.450 175.737 176.094 0.155 0.000 1.062 214 V CA -1.055 61.357 62.300 0.186 0.000 0.901 214 V CB 2.263 34.277 31.823 0.319 0.000 1.003 214 V HN 0.186 nan 8.190 nan 0.000 0.425 215 E N 3.964 124.219 120.200 0.092 0.000 2.014 215 E HA 0.336 4.686 4.350 0.001 0.000 0.275 215 E C -1.079 175.534 176.600 0.021 0.000 0.997 215 E CA -0.710 55.723 56.400 0.054 0.000 0.804 215 E CB 1.260 30.973 29.700 0.022 0.000 1.090 215 E HN 0.538 nan 8.360 nan 0.000 0.401 216 L N 3.897 125.140 121.223 0.033 0.000 2.380 216 L HA 0.263 4.603 4.340 0.001 0.000 0.273 216 L C -0.581 176.201 176.870 -0.147 0.000 1.138 216 L CA 0.539 55.349 54.840 -0.051 0.000 0.832 216 L CB 1.443 43.508 42.059 0.011 0.000 1.124 216 L HN 0.390 nan 8.230 nan 0.000 0.454 217 S N 3.600 119.170 115.700 -0.217 0.000 2.548 217 S HA 0.544 5.014 4.470 0.001 0.000 0.276 217 S C -1.207 173.250 174.600 -0.238 0.000 1.129 217 S CA -0.751 57.332 58.200 -0.196 0.000 0.931 217 S CB 0.480 63.639 63.200 -0.069 0.000 1.068 217 S HN 0.702 nan 8.310 nan 0.000 0.480 218 H N 3.503 122.608 119.070 0.057 0.000 2.472 218 H HA 0.593 5.150 4.556 0.001 0.000 0.338 218 H C -0.352 175.001 175.328 0.041 0.000 1.133 218 H CA -0.455 55.628 56.048 0.058 0.000 1.216 218 H CB 1.494 31.291 29.762 0.060 0.000 1.497 218 H HN 0.541 nan 8.280 nan 0.000 0.500 219 M N 2.514 122.208 119.600 0.156 0.000 2.433 219 M HA 0.267 4.747 4.480 0.001 0.000 0.290 219 M C -0.908 175.388 176.300 -0.006 0.000 1.173 219 M CA -0.774 54.569 55.300 0.072 0.000 0.905 219 M CB 2.999 35.648 32.600 0.082 0.000 1.692 219 M HN 0.267 nan 8.290 nan 0.000 0.462 220 L N 2.019 123.217 121.223 -0.042 0.000 2.331 220 L HA 0.182 4.522 4.340 0.001 0.000 0.278 220 L C 1.386 178.131 176.870 -0.208 0.000 1.106 220 L CA -0.177 54.592 54.840 -0.117 0.000 0.824 220 L CB 1.539 43.548 42.059 -0.083 0.000 1.142 220 L HN 0.670 nan 8.230 nan 0.000 0.443 221 V N 3.473 123.147 119.914 -0.399 0.000 2.363 221 V HA -0.334 3.786 4.120 0.001 0.000 0.254 221 V C 1.982 177.866 176.094 -0.350 0.000 1.074 221 V CA 2.741 64.695 62.300 -0.576 0.000 1.069 221 V CB -0.401 30.588 31.823 -1.390 0.000 0.659 221 V HN 1.103 nan 8.190 nan 0.000 0.455 222 D N -1.493 118.759 120.400 -0.247 0.000 2.183 222 D HA -0.122 4.519 4.640 0.001 0.000 0.203 222 D C 2.051 178.295 176.300 -0.094 0.000 0.969 222 D CA 1.393 55.307 54.000 -0.143 0.000 0.842 222 D CB -0.219 40.523 40.800 -0.097 0.000 0.957 222 D HN 0.537 nan 8.370 nan 0.000 0.484 223 S N 0.545 116.197 115.700 -0.081 0.000 2.368 223 S HA -0.104 4.366 4.470 0.001 0.000 0.224 223 S C 2.148 176.739 174.600 -0.014 0.000 1.029 223 S CA 1.605 59.786 58.200 -0.032 0.000 0.988 223 S CB -0.417 62.775 63.200 -0.013 0.000 0.838 223 S HN 0.400 nan 8.310 nan 0.000 0.462 224 T N 2.652 117.176 114.554 -0.050 0.000 2.759 224 T HA -0.099 4.252 4.350 0.001 0.000 0.269 224 T C 2.103 176.752 174.700 -0.085 0.000 1.042 224 T CA 1.209 63.272 62.100 -0.061 0.000 1.140 224 T CB -0.546 68.221 68.868 -0.168 0.000 0.864 224 T HN 0.461 nan 8.240 nan 0.000 0.455 225 A N 1.620 124.382 122.820 -0.096 0.000 1.883 225 A HA -0.108 4.212 4.320 0.001 0.000 0.217 225 A C 2.376 179.942 177.584 -0.031 0.000 1.186 225 A CA 1.737 53.729 52.037 -0.075 0.000 0.624 225 A CB -0.721 18.235 19.000 -0.073 0.000 0.822 225 A HN 0.460 nan 8.150 nan 0.000 0.444 226 M N -1.288 118.304 119.600 -0.013 0.000 2.059 226 M HA -0.193 4.287 4.480 0.001 0.000 0.259 226 M C 2.467 178.793 176.300 0.042 0.000 1.072 226 M CA 1.476 56.782 55.300 0.010 0.000 1.117 226 M CB -0.516 32.090 32.600 0.010 0.000 1.320 226 M HN 0.327 nan 8.290 nan 0.000 0.408 227 Q N 0.557 120.406 119.800 0.082 0.000 2.152 227 Q HA -0.126 4.214 4.340 0.001 0.000 0.206 227 Q C 2.032 178.160 176.000 0.214 0.000 0.985 227 Q CA 1.481 57.388 55.803 0.174 0.000 0.863 227 Q CB -0.774 28.160 28.738 0.327 0.000 0.904 227 Q HN 0.581 nan 8.270 nan 0.000 0.422 228 L N -0.121 121.168 121.223 0.111 0.000 2.447 228 L HA -0.183 4.158 4.340 0.001 0.000 0.225 228 L C 1.720 178.628 176.870 0.062 0.000 1.148 228 L CA 0.410 55.281 54.840 0.051 0.000 0.808 228 L CB -0.129 41.886 42.059 -0.075 0.000 0.928 228 L HN 0.205 nan 8.230 nan 0.000 0.448 229 I N -0.899 119.705 120.570 0.056 0.000 2.962 229 I HA 0.025 4.195 4.170 0.001 0.000 0.246 229 I C 2.348 178.492 176.117 0.046 0.000 1.091 229 I CA 1.038 62.362 61.300 0.041 0.000 1.469 229 I CB -1.316 36.698 38.000 0.024 0.000 1.324 229 I HN 0.007 nan 8.210 nan 0.000 0.461 230 A N 0.494 123.341 122.820 0.045 0.000 2.252 230 A HA 0.008 4.328 4.320 0.001 0.000 0.207 230 A C 0.916 178.522 177.584 0.036 0.000 1.194 230 A CA 0.922 52.980 52.037 0.034 0.000 0.809 230 A CB -0.619 18.396 19.000 0.025 0.000 0.814 230 A HN 0.521 nan 8.150 nan 0.000 0.482 231 N N -1.490 117.247 118.700 0.061 0.000 2.815 231 N HA 0.027 4.767 4.740 0.001 0.000 0.212 231 N C -2.482 173.081 175.510 0.089 0.000 1.306 231 N CA -0.204 52.871 53.050 0.041 0.000 1.744 231 N CB 0.320 38.806 38.487 -0.002 0.000 1.438 231 N HN 0.047 nan 8.380 nan 0.000 0.632 232 P HA -0.043 nan 4.420 nan 0.000 0.221 232 P C 1.434 178.840 177.300 0.177 0.000 1.145 232 P CA 0.959 64.210 63.100 0.252 0.000 0.795 232 P CB -0.098 31.693 31.700 0.152 0.000 0.775 233 G N 1.085 109.919 108.800 0.058 0.000 2.527 233 G HA2 -0.246 3.714 3.960 0.001 0.000 0.219 233 G HA3 -0.246 3.714 3.960 0.001 0.000 0.219 233 G C 1.469 176.340 174.900 -0.050 0.000 1.117 233 G CA 0.414 45.520 45.100 0.011 0.000 0.759 233 G HN 0.519 nan 8.290 nan 0.000 0.556 234 Q N -0.878 118.824 119.800 -0.163 0.000 2.360 234 Q HA 0.240 4.580 4.340 0.001 0.000 0.202 234 Q C -0.480 175.233 176.000 -0.478 0.000 0.915 234 Q CA -0.294 55.297 55.803 -0.354 0.000 0.943 234 Q CB 0.016 28.441 28.738 -0.521 0.000 1.064 234 Q HN 0.298 nan 8.270 nan 0.000 0.511 235 F N 0.944 120.885 119.950 -0.016 0.000 2.443 235 F HA 0.286 4.813 4.527 0.001 0.000 0.335 235 F C 0.634 176.425 175.800 -0.015 0.000 1.104 235 F CA -1.065 56.924 58.000 -0.018 0.000 1.013 235 F CB 1.754 40.743 39.000 -0.019 0.000 1.136 235 F HN -0.050 nan 8.300 nan 0.000 0.470 236 D N 1.330 121.830 120.400 0.168 0.000 2.733 236 D HA 0.161 4.801 4.640 0.001 0.000 0.262 236 D C -0.482 175.875 176.300 0.095 0.000 1.497 236 D CA 0.838 54.895 54.000 0.095 0.000 1.101 236 D CB 0.296 41.126 40.800 0.051 0.000 1.014 236 D HN 0.096 nan 8.370 nan 0.000 0.319 237 V N 1.483 121.435 119.914 0.063 0.000 2.547 237 V HA 0.464 4.585 4.120 0.001 0.000 0.299 237 V C -0.014 176.087 176.094 0.013 0.000 1.040 237 V CA -0.658 61.652 62.300 0.017 0.000 0.913 237 V CB 1.786 33.588 31.823 -0.034 0.000 0.992 237 V HN 0.196 nan 8.190 nan 0.000 0.449 238 I N 4.048 124.604 120.570 -0.023 0.000 2.533 238 I HA 0.580 4.751 4.170 0.001 0.000 0.290 238 I C -0.984 175.116 176.117 -0.028 0.000 1.056 238 I CA -0.837 60.437 61.300 -0.044 0.000 1.057 238 I CB 2.217 40.131 38.000 -0.144 0.000 1.240 238 I HN 0.417 nan 8.210 nan 0.000 0.423 239 V N 5.677 125.602 119.914 0.019 0.000 2.588 239 V HA 0.759 4.879 4.120 0.001 0.000 0.304 239 V C -0.723 175.505 176.094 0.223 0.000 1.042 239 V CA 0.232 62.598 62.300 0.111 0.000 0.877 239 V CB 2.127 34.012 31.823 0.103 0.000 0.996 239 V HN 0.891 nan 8.190 nan 0.000 0.425 240 T N 3.502 118.174 114.554 0.196 0.000 2.762 240 T HA 0.460 4.810 4.350 0.001 0.000 0.301 240 T C -0.731 173.928 174.700 -0.069 0.000 1.299 240 T CA 0.019 62.111 62.100 -0.013 0.000 1.005 240 T CB 1.743 70.598 68.868 -0.022 0.000 1.377 240 T HN 1.113 nan 8.240 nan 0.000 0.504 241 E N 1.459 121.415 120.200 -0.406 0.000 2.428 241 E HA 0.182 4.532 4.350 0.001 0.000 0.257 241 E C 1.208 177.777 176.600 -0.051 0.000 1.197 241 E CA -0.314 55.952 56.400 -0.224 0.000 0.974 241 E CB 0.325 29.797 29.700 -0.379 0.000 0.976 241 E HN 0.549 nan 8.360 nan 0.000 0.463 242 N N 1.316 120.032 118.700 0.026 0.000 2.094 242 N HA -0.268 4.472 4.740 0.001 0.000 0.191 242 N C 1.573 176.890 175.510 -0.322 0.000 1.023 242 N CA 2.194 55.175 53.050 -0.115 0.000 0.857 242 N CB -0.168 38.235 38.487 -0.139 0.000 1.013 242 N HN 0.774 nan 8.380 nan 0.000 0.426 243 M N -0.802 118.534 119.600 -0.440 0.000 2.134 243 M HA -0.064 4.417 4.480 0.001 0.000 0.262 243 M C 1.583 177.847 176.300 -0.060 0.000 1.076 243 M CA 1.138 56.224 55.300 -0.357 0.000 1.143 243 M CB -0.186 32.228 32.600 -0.311 0.000 1.346 243 M HN -0.078 nan 8.290 nan 0.000 0.421 244 F N 0.786 120.668 119.950 -0.113 0.000 2.120 244 F HA -0.076 4.451 4.527 0.001 0.000 0.300 244 F C 2.586 178.327 175.800 -0.097 0.000 1.095 244 F CA 1.375 59.310 58.000 -0.108 0.000 1.249 244 F CB -1.904 36.998 39.000 -0.162 0.000 0.995 244 F HN 0.292 nan 8.300 nan 0.000 0.480 245 G N -0.769 108.089 108.800 0.097 0.000 2.422 245 G HA2 -0.312 3.648 3.960 0.001 0.000 0.218 245 G HA3 -0.312 3.648 3.960 0.001 0.000 0.218 245 G C 1.404 176.316 174.900 0.021 0.000 1.146 245 G CA 1.159 46.280 45.100 0.036 0.000 0.769 245 G HN 0.353 nan 8.290 nan 0.000 0.547 246 D N 1.148 121.556 120.400 0.013 0.000 2.087 246 D HA -0.171 4.469 4.640 0.001 0.000 0.192 246 D C 2.488 178.817 176.300 0.048 0.000 0.993 246 D CA 1.680 55.700 54.000 0.034 0.000 0.828 246 D CB -0.321 40.512 40.800 0.055 0.000 0.968 246 D HN 0.389 nan 8.370 nan 0.000 0.448 247 I N -1.367 119.241 120.570 0.064 0.000 2.439 247 I HA -0.024 4.147 4.170 0.001 0.000 0.251 247 I C 2.187 178.314 176.117 0.017 0.000 1.139 247 I CA 0.984 62.314 61.300 0.050 0.000 1.438 247 I CB -0.650 37.389 38.000 0.066 0.000 1.085 247 I HN 0.038 nan 8.210 nan 0.000 0.427 248 L N 0.225 121.451 121.223 0.005 0.000 2.141 248 L HA -0.102 4.238 4.340 0.001 0.000 0.209 248 L C 2.548 179.392 176.870 -0.042 0.000 1.094 248 L CA 1.208 56.023 54.840 -0.042 0.000 0.763 248 L CB -0.548 41.465 42.059 -0.076 0.000 0.908 248 L HN 0.303 nan 8.230 nan 0.000 0.437 249 S N -0.291 115.397 115.700 -0.020 0.000 2.357 249 S HA -0.166 4.304 4.470 0.001 0.000 0.221 249 S C 1.440 176.038 174.600 -0.004 0.000 1.031 249 S CA 1.277 59.467 58.200 -0.016 0.000 0.982 249 S CB -0.201 62.995 63.200 -0.006 0.000 0.853 249 S HN 0.411 nan 8.310 nan 0.000 0.458 250 D N 1.100 121.503 120.400 0.006 0.000 2.178 250 D HA -0.048 4.592 4.640 0.001 0.000 0.201 250 D C 1.638 177.942 176.300 0.007 0.000 0.980 250 D CA 0.420 54.427 54.000 0.013 0.000 0.842 250 D CB -0.181 40.632 40.800 0.021 0.000 0.948 250 D HN 0.141 nan 8.370 nan 0.000 0.472 251 L N -0.288 120.932 121.223 -0.004 0.000 2.313 251 L HA 0.132 4.473 4.340 0.001 0.000 0.214 251 L C 1.856 178.719 176.870 -0.012 0.000 1.119 251 L CA 0.810 55.644 54.840 -0.010 0.000 0.809 251 L CB -0.218 41.826 42.059 -0.024 0.000 0.933 251 L HN -0.015 nan 8.230 nan 0.000 0.449 252 A N -2.231 120.580 122.820 -0.016 0.000 1.984 252 A HA -0.016 4.305 4.320 0.001 0.000 0.214 252 A C 2.306 179.898 177.584 0.014 0.000 1.173 252 A CA 1.098 53.129 52.037 -0.010 0.000 0.673 252 A CB -0.438 18.547 19.000 -0.025 0.000 0.830 252 A HN 0.366 nan 8.150 nan 0.000 0.453 253 S N -0.023 115.687 115.700 0.017 0.000 2.419 253 S HA -0.137 4.333 4.470 0.001 0.000 0.233 253 S C 1.826 176.447 174.600 0.034 0.000 1.016 253 S CA 1.629 59.847 58.200 0.031 0.000 0.974 253 S CB -0.409 62.809 63.200 0.030 0.000 0.786 253 S HN 0.838 nan 8.310 nan 0.000 0.492 254 V N 0.758 120.688 119.914 0.026 0.000 3.354 254 V HA 0.176 4.296 4.120 0.001 0.000 0.258 254 V C 1.760 177.872 176.094 0.029 0.000 1.159 254 V CA 0.549 62.865 62.300 0.027 0.000 1.125 254 V CB -0.998 30.837 31.823 0.020 0.000 0.774 254 V HN 0.625 nan 8.190 nan 0.000 0.464 255 I N 0.856 121.444 120.570 0.029 0.000 2.830 255 I HA -0.036 4.135 4.170 0.001 0.000 0.263 255 I C 2.094 178.236 176.117 0.042 0.000 1.230 255 I CA 1.765 63.084 61.300 0.033 0.000 1.480 255 I CB -0.817 37.202 38.000 0.032 0.000 1.095 255 I HN 0.404 nan 8.210 nan 0.000 0.455 256 T N -3.096 111.489 114.554 0.052 0.000 3.015 256 T HA 0.418 4.768 4.350 0.001 0.000 0.250 256 T C 1.773 176.514 174.700 0.069 0.000 1.057 256 T CA 0.488 62.630 62.100 0.069 0.000 1.066 256 T CB 0.357 69.282 68.868 0.096 0.000 0.959 256 T HN 0.555 nan 8.240 nan 0.000 0.488 257 G N 1.870 110.703 108.800 0.055 0.000 2.382 257 G HA2 -0.413 3.547 3.960 0.001 0.000 0.259 257 G HA3 -0.413 3.547 3.960 0.001 0.000 0.259 257 G C 1.444 176.374 174.900 0.051 0.000 1.009 257 G CA 1.460 46.587 45.100 0.046 0.000 0.625 257 G HN 1.253 nan 8.290 nan 0.000 0.541 258 S N 0.150 115.895 115.700 0.075 0.000 2.420 258 S HA 0.020 4.490 4.470 0.001 0.000 0.237 258 S C 1.470 176.103 174.600 0.055 0.000 1.023 258 S CA 1.297 59.543 58.200 0.076 0.000 0.991 258 S CB -0.326 62.972 63.200 0.163 0.000 0.792 258 S HN 1.949 nan 8.310 nan 0.000 0.488 259 L N 2.569 123.832 121.223 0.065 0.000 2.811 259 L HA 0.284 4.625 4.340 0.001 0.000 0.304 259 L C 1.053 177.958 176.870 0.059 0.000 1.227 259 L CA 1.423 56.302 54.840 0.066 0.000 0.880 259 L CB -0.817 41.275 42.059 0.056 0.000 1.169 259 L HN 0.662 nan 8.230 nan 0.000 0.498 260 G N 3.491 112.349 108.800 0.096 0.000 2.183 260 G HA2 -0.176 3.784 3.960 0.001 0.000 0.168 260 G HA3 -0.176 3.784 3.960 0.001 0.000 0.168 260 G C 0.314 175.284 174.900 0.117 0.000 1.008 260 G CA 0.350 45.500 45.100 0.083 0.000 0.677 260 G HN 1.540 nan 8.290 nan 0.000 0.498 261 M N -1.192 118.486 119.600 0.131 0.000 3.430 261 M HA 0.526 5.006 4.480 0.001 0.000 0.501 261 M C -0.402 175.954 176.300 0.094 0.000 1.556 261 M CA -0.318 55.042 55.300 0.100 0.000 0.751 261 M CB 0.155 32.746 32.600 -0.015 0.000 1.615 261 M HN -0.062 nan 8.290 nan 0.000 0.573 262 L N 4.861 126.148 121.223 0.108 0.000 2.319 262 L HA 0.554 4.895 4.340 0.001 0.000 0.280 262 L C -2.183 174.722 176.870 0.058 0.000 1.099 262 L CA -1.532 53.361 54.840 0.088 0.000 0.828 262 L CB 0.720 42.825 42.059 0.078 0.000 1.150 262 L HN 0.073 nan 8.230 nan 0.000 0.442 263 P HA 0.363 nan 4.420 nan 0.000 0.283 263 P C -1.295 176.038 177.300 0.054 0.000 1.278 263 P CA -0.512 62.624 63.100 0.060 0.000 0.834 263 P CB 2.076 33.834 31.700 0.096 0.000 1.150 264 S N -1.072 114.658 115.700 0.049 0.000 2.547 264 S HA 0.800 5.270 4.470 0.001 0.000 0.270 264 S C -1.462 173.128 174.600 -0.017 0.000 1.150 264 S CA -0.831 57.376 58.200 0.012 0.000 0.850 264 S CB 1.222 64.405 63.200 -0.029 0.000 1.118 264 S HN 0.689 nan 8.310 nan 0.000 0.461 265 A N 1.118 123.871 122.820 -0.112 0.000 2.435 265 A HA 0.879 5.199 4.320 0.001 0.000 0.304 265 A C -0.561 176.796 177.584 -0.378 0.000 1.064 265 A CA -0.821 50.998 52.037 -0.363 0.000 0.727 265 A CB 1.875 20.647 19.000 -0.379 0.000 1.284 265 A HN 0.950 nan 8.150 nan 0.000 0.415 266 S N 1.637 117.046 115.700 -0.486 0.000 2.594 266 S HA 0.587 5.058 4.470 0.001 0.000 0.322 266 S C -0.309 174.030 174.600 -0.435 0.000 1.085 266 S CA -0.379 57.601 58.200 -0.366 0.000 1.116 266 S CB 0.074 63.115 63.200 -0.264 0.000 0.979 266 S HN 0.536 nan 8.310 nan 0.000 0.465 267 L N 3.268 124.232 121.223 -0.432 0.000 2.335 267 L HA 0.732 5.073 4.340 0.001 0.000 0.268 267 L C 0.614 177.113 176.870 -0.619 0.000 1.016 267 L CA -1.214 53.372 54.840 -0.423 0.000 0.805 267 L CB 1.202 43.049 42.059 -0.353 0.000 1.311 267 L HN 0.603 nan 8.230 nan 0.000 0.456 268 R N -1.435 118.781 120.500 -0.473 0.000 3.482 268 R HA 0.512 4.853 4.340 0.001 0.000 0.231 268 R C 0.710 176.952 176.300 -0.097 0.000 1.451 268 R CA -0.532 55.219 56.100 -0.582 0.000 0.961 268 R CB 0.284 30.482 30.300 -0.170 0.000 1.579 268 R HN 0.316 nan 8.270 nan 0.000 0.491 269 S N 0.535 116.343 115.700 0.179 0.000 2.345 269 S HA -0.103 4.367 4.470 0.001 0.000 0.219 269 S C 0.232 174.900 174.600 0.113 0.000 1.031 269 S CA 1.716 60.037 58.200 0.202 0.000 0.984 269 S CB -0.667 62.646 63.200 0.187 0.000 0.874 269 S HN 0.667 nan 8.310 nan 0.000 0.451 270 D N 0.602 121.058 120.400 0.093 0.000 2.277 270 D HA 0.154 4.794 4.640 0.001 0.000 0.279 270 D C 1.093 177.442 176.300 0.083 0.000 1.197 270 D CA -0.343 53.709 54.000 0.086 0.000 1.037 270 D CB 0.200 41.052 40.800 0.086 0.000 1.128 270 D HN -0.161 nan 8.370 nan 0.000 0.531 271 R N -1.657 118.894 120.500 0.086 0.000 2.312 271 R HA 0.208 4.548 4.340 0.001 0.000 0.205 271 R C -0.078 176.245 176.300 0.039 0.000 0.904 271 R CA -0.490 55.638 56.100 0.046 0.000 1.052 271 R CB -0.910 29.391 30.300 0.002 0.000 1.014 271 R HN 0.430 nan 8.270 nan 0.000 0.503 272 F N 1.206 121.124 119.950 -0.053 0.000 2.578 272 F HA 0.365 4.893 4.527 0.001 0.000 0.376 272 F C 0.545 176.308 175.800 -0.062 0.000 1.085 272 F CA 0.379 58.351 58.000 -0.048 0.000 1.260 272 F CB 0.615 39.598 39.000 -0.029 0.000 1.095 272 F HN 0.053 nan 8.300 nan 0.000 0.573 273 G N 5.894 114.333 108.800 -0.601 0.000 2.660 273 G HA2 0.464 4.424 3.960 0.001 0.000 0.290 273 G HA3 0.464 4.424 3.960 0.001 0.000 0.290 273 G C -2.073 172.461 174.900 -0.610 0.000 1.432 273 G CA -1.097 43.687 45.100 -0.527 0.000 0.807 273 G HN 0.776 nan 8.290 nan 0.000 0.485 274 M N 0.848 120.074 119.600 -0.623 0.000 2.243 274 M HA 0.690 5.170 4.480 0.001 0.000 0.324 274 M C -1.768 174.192 176.300 -0.567 0.000 1.031 274 M CA -0.777 54.283 55.300 -0.400 0.000 0.949 274 M CB 1.442 33.897 32.600 -0.241 0.000 1.615 274 M HN 0.523 nan 8.290 nan 0.000 0.430 275 Y N 2.589 122.819 120.300 -0.115 0.000 2.468 275 Y HA 0.678 5.229 4.550 0.000 0.000 0.342 275 Y C -0.339 175.524 175.900 -0.062 0.000 1.021 275 Y CA -0.678 57.378 58.100 -0.073 0.000 1.079 275 Y CB 1.602 40.033 38.460 -0.049 0.000 1.226 275 Y HN 0.643 nan 8.280 nan 0.000 0.460 276 E N 1.567 121.804 120.200 0.063 0.000 2.396 276 E HA 0.388 4.738 4.350 0.001 0.000 0.280 276 E C -3.473 173.098 176.600 -0.049 0.000 1.065 276 E CA -2.365 54.031 56.400 -0.006 0.000 0.831 276 E CB 2.681 32.354 29.700 -0.045 0.000 1.272 276 E HN 0.191 nan 8.360 nan 0.000 0.443 277 P HA 0.038 nan 4.420 nan 0.000 0.278 277 P C 0.857 177.984 177.300 -0.290 0.000 1.238 277 P CA -0.475 62.481 63.100 -0.239 0.000 0.794 277 P CB 1.733 33.167 31.700 -0.442 0.000 0.955 278 V N 2.484 122.282 119.914 -0.194 0.000 2.220 278 V HA -0.220 3.901 4.120 0.001 0.000 0.246 278 V C 1.317 177.331 176.094 -0.133 0.000 1.049 278 V CA 2.112 64.347 62.300 -0.108 0.000 1.003 278 V CB -2.032 29.784 31.823 -0.011 0.000 0.634 278 V HN 0.832 nan 8.190 nan 0.000 0.444 279 H N -0.180 118.898 119.070 0.015 0.000 3.107 279 H HA 0.301 4.857 4.556 0.001 0.000 0.342 279 H C 0.682 176.017 175.328 0.012 0.000 1.076 279 H CA 0.348 56.404 56.048 0.013 0.000 1.356 279 H CB -0.270 29.499 29.762 0.011 0.000 1.281 279 H HN 0.274 nan 8.280 nan 0.000 0.604 280 G N 0.078 108.981 108.800 0.171 0.000 2.514 280 G HA2 0.179 4.139 3.960 0.001 0.000 0.245 280 G HA3 0.179 4.139 3.960 0.001 0.000 0.245 280 G C 0.690 175.688 174.900 0.163 0.000 1.488 280 G CA -0.218 44.948 45.100 0.111 0.000 1.063 280 G HN 0.942 nan 8.290 nan 0.000 0.557 281 S N -1.298 114.464 115.700 0.105 0.000 2.577 281 S HA 0.420 4.890 4.470 0.001 0.000 0.219 281 S C 1.283 175.934 174.600 0.086 0.000 0.962 281 S CA 0.879 59.140 58.200 0.100 0.000 0.921 281 S CB -0.208 63.038 63.200 0.076 0.000 0.789 281 S HN 1.937 nan 8.310 nan 0.000 0.497 282 A N 3.386 126.251 122.820 0.074 0.000 1.896 282 A HA -0.107 4.213 4.320 0.001 0.000 0.250 282 A C -0.201 177.408 177.584 0.041 0.000 1.254 282 A CA 0.589 52.651 52.037 0.041 0.000 0.757 282 A CB -1.198 17.807 19.000 0.009 0.000 1.154 282 A HN 0.594 nan 8.150 nan 0.000 0.306 283 P HA -0.238 nan 4.420 nan 0.000 0.216 283 P C 0.978 178.298 177.300 0.034 0.000 1.150 283 P CA 1.705 64.838 63.100 0.055 0.000 0.843 283 P CB -0.024 31.716 31.700 0.066 0.000 0.787 284 D N 1.192 121.604 120.400 0.021 0.000 2.183 284 D HA -0.141 4.499 4.640 0.001 0.000 0.203 284 D C 1.919 178.224 176.300 0.008 0.000 0.969 284 D CA 0.886 54.893 54.000 0.011 0.000 0.842 284 D CB -1.317 39.486 40.800 0.006 0.000 0.957 284 D HN 0.381 nan 8.370 nan 0.000 0.484 285 I N -2.510 118.064 120.570 0.006 0.000 3.812 285 I HA 0.438 4.609 4.170 0.001 0.000 0.320 285 I C 0.816 176.936 176.117 0.006 0.000 1.276 285 I CA -0.718 60.583 61.300 0.002 0.000 1.164 285 I CB -0.150 37.846 38.000 -0.007 0.000 1.009 285 I HN -0.113 nan 8.210 nan 0.000 0.431 286 A N 1.553 124.382 122.820 0.015 0.000 2.507 286 A HA 0.392 4.712 4.320 0.001 0.000 0.235 286 A C 1.638 179.232 177.584 0.015 0.000 1.070 286 A CA 0.611 52.661 52.037 0.021 0.000 0.768 286 A CB -0.602 18.419 19.000 0.034 0.000 1.011 286 A HN 1.122 nan 8.150 nan 0.000 0.502 287 G N 0.377 109.186 108.800 0.015 0.000 2.212 287 G HA2 -0.312 3.648 3.960 0.001 0.000 0.267 287 G HA3 -0.312 3.648 3.960 0.001 0.000 0.267 287 G C 0.467 175.371 174.900 0.007 0.000 1.002 287 G CA 1.109 46.216 45.100 0.011 0.000 0.729 287 G HN 0.887 nan 8.290 nan 0.000 0.517 288 Q N -1.172 118.631 119.800 0.004 0.000 2.217 288 Q HA 0.417 4.757 4.340 0.001 0.000 0.217 288 Q C 1.716 177.716 176.000 0.000 0.000 0.844 288 Q CA 0.276 56.080 55.803 0.002 0.000 0.957 288 Q CB 0.881 29.620 28.738 0.000 0.000 1.127 288 Q HN 1.395 nan 8.270 nan 0.000 0.503 289 G N 2.063 110.863 108.800 -0.000 0.000 2.198 289 G HA2 -0.292 3.668 3.960 0.001 0.000 0.257 289 G HA3 -0.292 3.668 3.960 0.001 0.000 0.257 289 G C 0.590 175.487 174.900 -0.004 0.000 1.042 289 G CA 0.724 45.823 45.100 -0.001 0.000 0.791 289 G HN 0.272 nan 8.290 nan 0.000 0.502 290 K N -0.218 120.176 120.400 -0.009 0.000 2.262 290 K HA 0.522 4.842 4.320 0.001 0.000 0.200 290 K C 1.663 178.246 176.600 -0.029 0.000 1.058 290 K CA 0.372 56.650 56.287 -0.016 0.000 0.974 290 K CB 0.082 32.571 32.500 -0.018 0.000 0.910 290 K HN 0.959 nan 8.250 nan 0.000 0.484 291 A N 3.277 126.078 122.820 -0.032 0.000 2.632 291 A HA -0.134 4.186 4.320 0.001 0.000 0.231 291 A C 0.217 177.765 177.584 -0.059 0.000 1.027 291 A CA 0.214 52.218 52.037 -0.054 0.000 0.759 291 A CB -0.275 18.710 19.000 -0.024 0.000 0.939 291 A HN 0.335 nan 8.150 nan 0.000 0.505 292 N N 3.139 121.772 118.700 -0.111 0.000 2.415 292 N HA 0.215 4.955 4.740 0.001 0.000 0.246 292 N C -1.362 174.138 175.510 -0.017 0.000 1.078 292 N CA -2.123 50.878 53.050 -0.080 0.000 0.942 292 N CB 1.136 39.549 38.487 -0.124 0.000 1.140 292 N HN 0.363 nan 8.380 nan 0.000 0.501 293 P HA -0.082 nan 4.420 nan 0.000 0.225 293 P C 1.562 178.891 177.300 0.047 0.000 1.156 293 P CA 0.580 63.702 63.100 0.035 0.000 0.787 293 P CB 0.560 32.268 31.700 0.013 0.000 0.802 294 L N 0.075 121.313 121.223 0.025 0.000 1.978 294 L HA -0.182 4.158 4.340 0.001 0.000 0.218 294 L C 2.901 179.800 176.870 0.048 0.000 1.075 294 L CA 2.269 57.116 54.840 0.011 0.000 0.767 294 L CB -2.123 39.911 42.059 -0.042 0.000 0.890 294 L HN 0.067 nan 8.230 nan 0.000 0.434 295 G N -1.044 107.821 108.800 0.108 0.000 2.469 295 G HA2 -0.262 3.698 3.960 0.001 0.000 0.220 295 G HA3 -0.262 3.698 3.960 0.001 0.000 0.220 295 G C 1.563 176.501 174.900 0.064 0.000 1.136 295 G CA 1.514 46.682 45.100 0.114 0.000 0.759 295 G HN 0.356 nan 8.290 nan 0.000 0.562 296 T N 0.311 114.911 114.554 0.078 0.000 2.851 296 T HA -0.007 4.344 4.350 0.001 0.000 0.262 296 T C 2.576 177.296 174.700 0.034 0.000 1.043 296 T CA 0.869 62.993 62.100 0.040 0.000 1.140 296 T CB -0.124 68.772 68.868 0.046 0.000 0.872 296 T HN 0.065 nan 8.240 nan 0.000 0.446 297 V N 1.897 121.831 119.914 0.034 0.000 2.255 297 V HA -0.129 3.992 4.120 0.001 0.000 0.247 297 V C 2.489 178.597 176.094 0.024 0.000 1.051 297 V CA 1.576 63.889 62.300 0.021 0.000 1.018 297 V CB -0.672 31.160 31.823 0.016 0.000 0.641 297 V HN 0.437 nan 8.190 nan 0.000 0.445 298 L N -0.052 121.194 121.223 0.037 0.000 2.265 298 L HA -0.150 4.190 4.340 0.001 0.000 0.215 298 L C 2.588 179.492 176.870 0.057 0.000 1.117 298 L CA 1.595 56.467 54.840 0.053 0.000 0.782 298 L CB -0.502 41.603 42.059 0.077 0.000 0.914 298 L HN 0.391 nan 8.230 nan 0.000 0.441 299 S N -0.443 115.290 115.700 0.056 0.000 2.453 299 S HA -0.027 4.443 4.470 0.001 0.000 0.231 299 S C 1.952 176.574 174.600 0.037 0.000 1.005 299 S CA 0.932 59.180 58.200 0.080 0.000 0.949 299 S CB 0.108 63.347 63.200 0.066 0.000 0.774 299 S HN 0.441 nan 8.310 nan 0.000 0.510 300 A N 0.337 123.156 122.820 -0.003 0.000 2.123 300 A HA 0.565 4.885 4.320 0.001 0.000 0.214 300 A C 2.122 179.651 177.584 -0.092 0.000 1.152 300 A CA 0.981 52.986 52.037 -0.054 0.000 0.728 300 A CB -0.625 18.366 19.000 -0.015 0.000 0.814 300 A HN 0.615 nan 8.150 nan 0.000 0.464 301 A N -0.538 122.250 122.820 -0.053 0.000 2.123 301 A HA 0.268 4.588 4.320 0.001 0.000 0.214 301 A C 1.888 179.409 177.584 -0.106 0.000 1.152 301 A CA 0.655 52.656 52.037 -0.061 0.000 0.728 301 A CB -0.330 18.660 19.000 -0.016 0.000 0.814 301 A HN 0.437 nan 8.150 nan 0.000 0.464 302 L N -1.373 119.796 121.223 -0.090 0.000 2.209 302 L HA -0.002 4.338 4.340 0.001 0.000 0.207 302 L C 2.629 179.314 176.870 -0.307 0.000 1.094 302 L CA 0.965 55.784 54.840 -0.036 0.000 0.790 302 L CB -0.359 41.887 42.059 0.313 0.000 0.932 302 L HN 0.543 nan 8.230 nan 0.000 0.447 303 M N 0.300 119.458 119.600 -0.737 0.000 2.065 303 M HA -0.251 4.229 4.480 0.001 0.000 0.259 303 M C 2.280 178.316 176.300 -0.441 0.000 1.069 303 M CA 2.010 56.629 55.300 -1.135 0.000 1.110 303 M CB -0.104 32.019 32.600 -0.796 0.000 1.328 303 M HN 0.157 nan 8.290 nan 0.000 0.405 304 L N -0.429 120.692 121.223 -0.170 0.000 1.990 304 L HA -0.281 4.059 4.340 0.001 0.000 0.213 304 L C 2.755 179.589 176.870 -0.060 0.000 1.072 304 L CA 1.936 56.795 54.840 0.031 0.000 0.755 304 L CB -0.923 41.111 42.059 -0.041 0.000 0.889 304 L HN 0.420 nan 8.230 nan 0.000 0.432 305 R N -0.343 120.034 120.500 -0.205 0.000 2.092 305 R HA -0.194 4.146 4.340 0.001 0.000 0.226 305 R C 2.366 178.501 176.300 -0.275 0.000 1.140 305 R CA 1.963 57.873 56.100 -0.317 0.000 0.910 305 R CB -0.465 29.476 30.300 -0.599 0.000 0.822 305 R HN 0.180 nan 8.270 nan 0.000 0.433 306 Y N -0.155 120.134 120.300 -0.018 0.000 2.616 306 Y HA 0.068 4.618 4.550 0.000 0.000 0.296 306 Y C 1.921 177.788 175.900 -0.055 0.000 1.154 306 Y CA 0.554 58.662 58.100 0.014 0.000 1.325 306 Y CB 0.310 38.837 38.460 0.112 0.000 1.007 306 Y HN 0.105 nan 8.280 nan 0.000 0.542 307 S N -2.151 113.468 115.700 -0.134 0.000 2.578 307 S HA 0.230 4.701 4.470 0.001 0.000 0.228 307 S C 0.443 174.543 174.600 -0.834 0.000 1.022 307 S CA -0.097 57.821 58.200 -0.471 0.000 0.967 307 S CB 0.222 62.999 63.200 -0.705 0.000 0.914 307 S HN 0.310 nan 8.310 nan 0.000 0.515 308 F N 0.016 119.949 119.950 -0.028 0.000 2.938 308 F HA 0.345 4.872 4.527 0.000 0.000 0.370 308 F C 1.508 177.285 175.800 -0.039 0.000 0.981 308 F CA 0.069 58.043 58.000 -0.044 0.000 1.108 308 F CB 0.026 38.963 39.000 -0.105 0.000 1.086 308 F HN 0.148 nan 8.300 nan 0.000 0.569 309 G N 1.681 110.529 108.800 0.079 0.000 2.160 309 G HA2 -0.303 3.658 3.960 0.001 0.000 0.251 309 G HA3 -0.303 3.658 3.960 0.001 0.000 0.251 309 G C 0.189 175.107 174.900 0.029 0.000 1.008 309 G CA 0.189 45.313 45.100 0.040 0.000 0.724 309 G HN 0.321 nan 8.290 nan 0.000 0.514 310 L N 0.364 121.600 121.223 0.022 0.000 2.648 310 L HA 0.315 4.655 4.340 0.001 0.000 0.238 310 L C 1.767 178.614 176.870 -0.038 0.000 1.316 310 L CA -0.227 54.605 54.840 -0.015 0.000 1.241 310 L CB 0.569 42.574 42.059 -0.089 0.000 1.499 310 L HN 0.259 nan 8.230 nan 0.000 0.411 311 E N 1.654 121.832 120.200 -0.036 0.000 2.086 311 E HA -0.288 4.062 4.350 0.001 0.000 0.200 311 E C 2.074 178.655 176.600 -0.032 0.000 1.012 311 E CA 1.758 58.127 56.400 -0.051 0.000 0.812 311 E CB 0.132 29.811 29.700 -0.036 0.000 0.743 311 E HN 0.443 nan 8.360 nan 0.000 0.453 312 K N 0.094 120.488 120.400 -0.010 0.000 2.015 312 K HA -0.299 4.021 4.320 0.001 0.000 0.216 312 K C 1.954 178.552 176.600 -0.003 0.000 1.052 312 K CA 2.162 58.449 56.287 0.001 0.000 0.937 312 K CB -0.194 32.318 32.500 0.019 0.000 0.719 312 K HN 0.087 nan 8.250 nan 0.000 0.446 313 E N 0.200 120.395 120.200 -0.008 0.000 2.106 313 E HA -0.118 4.232 4.350 0.001 0.000 0.192 313 E C 1.849 178.433 176.600 -0.027 0.000 0.984 313 E CA 1.193 57.584 56.400 -0.015 0.000 0.806 313 E CB -0.240 29.438 29.700 -0.036 0.000 0.750 313 E HN 0.471 nan 8.360 nan 0.000 0.458 314 A N 1.405 124.198 122.820 -0.046 0.000 1.859 314 A HA -0.196 4.125 4.320 0.001 0.000 0.217 314 A C 2.401 179.970 177.584 -0.027 0.000 1.198 314 A CA 2.136 54.140 52.037 -0.054 0.000 0.629 314 A CB -1.147 17.794 19.000 -0.097 0.000 0.830 314 A HN 0.308 nan 8.150 nan 0.000 0.446 315 A N -0.754 122.052 122.820 -0.023 0.000 2.186 315 A HA 0.210 4.531 4.320 0.001 0.000 0.219 315 A C 2.269 179.858 177.584 0.008 0.000 1.159 315 A CA 1.889 53.923 52.037 -0.004 0.000 0.680 315 A CB -0.740 18.256 19.000 -0.006 0.000 0.787 315 A HN 1.024 nan 8.150 nan 0.000 0.467 316 A N 0.142 122.964 122.820 0.005 0.000 1.874 316 A HA 0.055 4.375 4.320 0.001 0.000 0.214 316 A C 2.042 179.636 177.584 0.016 0.000 1.189 316 A CA 1.211 53.255 52.037 0.011 0.000 0.615 316 A CB -0.472 18.533 19.000 0.008 0.000 0.830 316 A HN 0.454 nan 8.150 nan 0.000 0.443 317 I N 0.129 120.707 120.570 0.012 0.000 2.142 317 I HA -0.285 3.886 4.170 0.001 0.000 0.240 317 I C 2.446 178.585 176.117 0.037 0.000 1.078 317 I CA 1.753 63.064 61.300 0.018 0.000 1.343 317 I CB -0.620 37.386 38.000 0.010 0.000 1.046 317 I HN 0.433 nan 8.210 nan 0.000 0.405 318 E N 0.872 121.101 120.200 0.047 0.000 2.118 318 E HA -0.293 4.057 4.350 0.001 0.000 0.195 318 E C 2.114 178.778 176.600 0.107 0.000 0.992 318 E CA 1.261 57.715 56.400 0.090 0.000 0.804 318 E CB -0.188 29.559 29.700 0.079 0.000 0.741 318 E HN 0.439 nan 8.360 nan 0.000 0.458 319 K N 0.779 121.220 120.400 0.068 0.000 2.116 319 K HA -0.030 4.290 4.320 0.001 0.000 0.203 319 K C 2.199 178.837 176.600 0.063 0.000 1.052 319 K CA 0.816 57.142 56.287 0.066 0.000 0.952 319 K CB -0.031 32.493 32.500 0.040 0.000 0.729 319 K HN 0.079 nan 8.250 nan 0.000 0.446 320 A N 0.825 123.672 122.820 0.046 0.000 1.865 320 A HA -0.157 4.164 4.320 0.001 0.000 0.217 320 A C 2.216 179.824 177.584 0.039 0.000 1.191 320 A CA 1.886 53.942 52.037 0.032 0.000 0.623 320 A CB -0.885 18.126 19.000 0.019 0.000 0.826 320 A HN 0.154 nan 8.150 nan 0.000 0.444 321 V N 0.578 120.521 119.914 0.048 0.000 2.255 321 V HA -0.306 3.814 4.120 0.001 0.000 0.247 321 V C 2.411 178.542 176.094 0.060 0.000 1.051 321 V CA 2.653 64.973 62.300 0.034 0.000 1.018 321 V CB -0.945 30.892 31.823 0.023 0.000 0.641 321 V HN 0.763 nan 8.190 nan 0.000 0.445 322 D N -0.052 120.443 120.400 0.158 0.000 2.106 322 D HA -0.237 4.403 4.640 0.001 0.000 0.191 322 D C 1.864 178.242 176.300 0.130 0.000 0.997 322 D CA 1.849 55.985 54.000 0.227 0.000 0.834 322 D CB -0.246 40.695 40.800 0.236 0.000 0.956 322 D HN 0.424 nan 8.370 nan 0.000 0.448 323 D N -0.477 119.979 120.400 0.093 0.000 2.106 323 D HA -0.141 4.500 4.640 0.001 0.000 0.191 323 D C 2.325 178.670 176.300 0.075 0.000 0.997 323 D CA 1.062 55.105 54.000 0.072 0.000 0.834 323 D CB -0.444 40.386 40.800 0.051 0.000 0.956 323 D HN 0.161 nan 8.370 nan 0.000 0.448 324 V N 1.225 121.176 119.914 0.061 0.000 2.392 324 V HA -0.222 3.898 4.120 0.001 0.000 0.249 324 V C 2.654 178.824 176.094 0.127 0.000 1.059 324 V CA 1.106 63.453 62.300 0.078 0.000 1.051 324 V CB -0.394 31.446 31.823 0.029 0.000 0.658 324 V HN 0.220 nan 8.190 nan 0.000 0.455 325 L N -0.828 120.442 121.223 0.079 0.000 2.093 325 L HA -0.206 4.134 4.340 0.001 0.000 0.208 325 L C 2.594 179.508 176.870 0.075 0.000 1.085 325 L CA 1.479 56.356 54.840 0.062 0.000 0.755 325 L CB -0.441 41.625 42.059 0.013 0.000 0.904 325 L HN 0.339 nan 8.230 nan 0.000 0.435 326 Q N 0.240 120.092 119.800 0.086 0.000 2.167 326 Q HA -0.218 4.122 4.340 0.001 0.000 0.202 326 Q C 1.466 177.511 176.000 0.075 0.000 0.970 326 Q CA 1.555 57.403 55.803 0.075 0.000 0.855 326 Q CB 0.069 28.852 28.738 0.075 0.000 0.911 326 Q HN 0.346 nan 8.270 nan 0.000 0.438 327 D N -1.519 118.952 120.400 0.118 0.000 2.350 327 D HA 0.045 4.685 4.640 0.001 0.000 0.216 327 D C 0.878 177.238 176.300 0.100 0.000 0.968 327 D CA 1.213 55.316 54.000 0.173 0.000 0.894 327 D CB 0.105 41.081 40.800 0.293 0.000 0.909 327 D HN 0.472 nan 8.370 nan 0.000 0.520 328 G N -0.956 107.866 108.800 0.037 0.000 2.176 328 G HA2 -0.278 3.682 3.960 0.001 0.000 0.232 328 G HA3 -0.278 3.682 3.960 0.001 0.000 0.232 328 G C -0.195 174.562 174.900 -0.238 0.000 0.986 328 G CA -0.376 44.646 45.100 -0.130 0.000 0.643 328 G HN 0.332 nan 8.290 nan 0.000 0.522 329 Y N 1.373 121.669 120.300 -0.007 0.000 2.452 329 Y HA 0.498 5.048 4.550 0.001 0.000 0.348 329 Y C 1.420 177.308 175.900 -0.020 0.000 0.985 329 Y CA -0.335 57.758 58.100 -0.012 0.000 1.214 329 Y CB 0.418 38.872 38.460 -0.010 0.000 1.136 329 Y HN 0.585 nan 8.280 nan 0.000 0.523 330 C N -0.691 118.648 119.300 0.065 0.000 2.719 330 C HA 0.571 5.031 4.460 0.001 0.000 0.327 330 C C 1.209 176.213 174.990 0.024 0.000 1.238 330 C CA -0.646 58.389 59.018 0.029 0.000 1.727 330 C CB 1.184 28.920 27.740 -0.007 0.000 2.256 330 C HN 0.865 nan 8.230 nan 0.000 0.489 331 T N -1.181 113.374 114.554 0.002 0.000 3.317 331 T HA 0.436 4.786 4.350 0.001 0.000 0.250 331 T C 1.517 176.209 174.700 -0.014 0.000 1.106 331 T CA 0.754 62.851 62.100 -0.005 0.000 0.986 331 T CB -0.601 68.253 68.868 -0.023 0.000 1.010 331 T HN 2.297 nan 8.240 nan 0.000 0.560 332 G N 2.797 111.589 108.800 -0.014 0.000 2.320 332 G HA2 -0.353 3.608 3.960 0.001 0.000 0.242 332 G HA3 -0.353 3.608 3.960 0.001 0.000 0.242 332 G C 0.776 175.662 174.900 -0.023 0.000 1.033 332 G CA 0.354 45.444 45.100 -0.017 0.000 0.620 332 G HN 0.676 nan 8.290 nan 0.000 0.517 333 D N 0.666 121.047 120.400 -0.031 0.000 2.350 333 D HA 0.186 4.826 4.640 0.001 0.000 0.213 333 D C 1.237 177.519 176.300 -0.031 0.000 1.031 333 D CA -0.050 53.929 54.000 -0.036 0.000 0.861 333 D CB 0.088 40.855 40.800 -0.055 0.000 0.926 333 D HN 0.485 nan 8.370 nan 0.000 0.520 334 L N 0.954 122.160 121.223 -0.028 0.000 2.379 334 L HA 0.200 4.541 4.340 0.001 0.000 0.269 334 L C 0.423 177.283 176.870 -0.017 0.000 1.084 334 L CA -0.710 54.116 54.840 -0.024 0.000 0.802 334 L CB 1.492 43.533 42.059 -0.029 0.000 1.175 334 L HN -0.167 nan 8.230 nan 0.000 0.448 335 Q N 3.257 123.051 119.800 -0.010 0.000 2.490 335 Q HA 0.345 4.685 4.340 0.001 0.000 0.226 335 Q C -0.573 175.424 176.000 -0.005 0.000 1.132 335 Q CA -0.102 55.697 55.803 -0.006 0.000 0.928 335 Q CB 1.073 29.812 28.738 0.002 0.000 1.299 335 Q HN 0.317 nan 8.270 nan 0.000 0.528 336 V N -0.048 119.858 119.914 -0.012 0.000 3.181 336 V HA 0.691 4.812 4.120 0.001 0.000 0.314 336 V C 0.657 176.740 176.094 -0.018 0.000 1.173 336 V CA -0.312 61.980 62.300 -0.014 0.000 1.052 336 V CB 1.533 33.341 31.823 -0.025 0.000 1.123 336 V HN 0.682 nan 8.190 nan 0.000 0.454 337 A N 0.526 123.333 122.820 -0.022 0.000 2.250 337 A HA 0.112 4.433 4.320 0.001 0.000 0.222 337 A C 1.582 179.144 177.584 -0.037 0.000 1.768 337 A CA 0.771 52.794 52.037 -0.024 0.000 0.660 337 A CB -0.667 18.322 19.000 -0.018 0.000 1.318 337 A HN 0.825 nan 8.150 nan 0.000 0.527 338 N N 0.657 119.327 118.700 -0.050 0.000 2.270 338 N HA -0.030 4.711 4.740 0.001 0.000 0.181 338 N C 1.160 176.614 175.510 -0.093 0.000 1.016 338 N CA 0.966 53.976 53.050 -0.068 0.000 0.870 338 N CB -0.744 37.696 38.487 -0.079 0.000 0.979 338 N HN 0.651 nan 8.380 nan 0.000 0.431 339 G N 2.491 111.232 108.800 -0.099 0.000 2.167 339 G HA2 -0.297 3.664 3.960 0.001 0.000 0.233 339 G HA3 -0.297 3.664 3.960 0.001 0.000 0.233 339 G C -0.445 174.369 174.900 -0.143 0.000 0.493 339 G CA 0.390 45.422 45.100 -0.113 0.000 1.034 339 G HN 0.273 nan 8.290 nan 0.000 0.410 340 K N 0.559 120.802 120.400 -0.263 0.000 2.412 340 K HA 0.340 4.660 4.320 0.001 0.000 0.284 340 K C 0.528 177.058 176.600 -0.117 0.000 1.046 340 K CA -0.255 55.884 56.287 -0.248 0.000 0.999 340 K CB 1.280 33.479 32.500 -0.502 0.000 0.941 340 K HN 0.198 nan 8.250 nan 0.000 0.474 341 V N 5.257 125.145 119.914 -0.043 0.000 2.383 341 V HA 0.287 4.408 4.120 0.001 0.000 0.275 341 V C 0.020 176.137 176.094 0.038 0.000 1.036 341 V CA -0.568 61.734 62.300 0.002 0.000 0.889 341 V CB 0.963 32.780 31.823 -0.009 0.000 0.985 341 V HN 0.598 nan 8.190 nan 0.000 0.459 342 V N 2.450 122.404 119.914 0.066 0.000 3.155 342 V HA 0.845 4.965 4.120 0.001 0.000 0.313 342 V C 0.278 176.395 176.094 0.037 0.000 1.162 342 V CA -0.446 61.895 62.300 0.068 0.000 1.048 342 V CB 1.854 33.746 31.823 0.114 0.000 1.092 342 V HN 0.826 nan 8.190 nan 0.000 0.447 343 S N 0.122 115.838 115.700 0.027 0.000 2.633 343 S HA 0.149 4.619 4.470 0.001 0.000 0.257 343 S C 1.034 175.639 174.600 0.008 0.000 1.265 343 S CA 0.677 58.885 58.200 0.012 0.000 0.980 343 S CB 0.483 63.687 63.200 0.008 0.000 1.017 343 S HN 0.962 nan 8.310 nan 0.000 0.577 344 T N 0.765 115.320 114.554 0.001 0.000 2.904 344 T HA 0.079 4.429 4.350 0.001 0.000 0.267 344 T C 1.684 176.381 174.700 -0.004 0.000 1.059 344 T CA 1.235 63.333 62.100 -0.002 0.000 1.137 344 T CB -0.464 68.402 68.868 -0.004 0.000 0.879 344 T HN 0.523 nan 8.240 nan 0.000 0.467 345 I N 0.769 121.336 120.570 -0.004 0.000 2.333 345 I HA -0.066 4.105 4.170 0.001 0.000 0.246 345 I C 2.695 178.804 176.117 -0.013 0.000 1.106 345 I CA 0.990 62.284 61.300 -0.009 0.000 1.411 345 I CB -0.250 37.746 38.000 -0.008 0.000 1.082 345 I HN 0.186 nan 8.210 nan 0.000 0.420 346 E N 1.803 121.999 120.200 -0.007 0.000 2.038 346 E HA -0.275 4.075 4.350 0.001 0.000 0.195 346 E C 2.087 178.667 176.600 -0.033 0.000 1.000 346 E CA 1.637 58.028 56.400 -0.015 0.000 0.803 346 E CB -0.492 29.213 29.700 0.008 0.000 0.750 346 E HN 0.272 nan 8.360 nan 0.000 0.448 347 L N 0.524 121.740 121.223 -0.012 0.000 2.043 347 L HA -0.203 4.137 4.340 0.001 0.000 0.212 347 L C 2.264 179.112 176.870 -0.036 0.000 1.075 347 L CA 2.463 57.292 54.840 -0.018 0.000 0.752 347 L CB -1.007 41.057 42.059 0.009 0.000 0.891 347 L HN 0.236 nan 8.230 nan 0.000 0.432 348 T N -0.598 113.941 114.554 -0.026 0.000 2.652 348 T HA -0.220 4.131 4.350 0.001 0.000 0.267 348 T C 1.398 176.076 174.700 -0.036 0.000 1.039 348 T CA 1.790 63.875 62.100 -0.025 0.000 1.153 348 T CB -0.513 68.344 68.868 -0.019 0.000 0.863 348 T HN 0.444 nan 8.240 nan 0.000 0.428 349 D N 0.727 121.102 120.400 -0.043 0.000 2.127 349 D HA -0.124 4.516 4.640 0.001 0.000 0.190 349 D C 2.451 178.708 176.300 -0.072 0.000 1.000 349 D CA 0.999 54.968 54.000 -0.051 0.000 0.839 349 D CB -0.114 40.655 40.800 -0.052 0.000 0.955 349 D HN 0.129 nan 8.370 nan 0.000 0.446 350 R N 0.259 120.691 120.500 -0.113 0.000 2.162 350 R HA -0.209 4.131 4.340 0.001 0.000 0.245 350 R C 2.521 178.764 176.300 -0.095 0.000 1.129 350 R CA 1.046 57.050 56.100 -0.159 0.000 0.940 350 R CB -1.255 28.895 30.300 -0.250 0.000 0.875 350 R HN 0.338 nan 8.270 nan 0.000 0.437 351 L N 0.514 121.698 121.223 -0.065 0.000 1.971 351 L HA -0.243 4.097 4.340 0.001 0.000 0.215 351 L C 2.573 179.426 176.870 -0.028 0.000 1.072 351 L CA 1.307 56.126 54.840 -0.035 0.000 0.758 351 L CB -0.608 41.437 42.059 -0.022 0.000 0.889 351 L HN 0.162 nan 8.230 nan 0.000 0.433 352 I N -0.201 120.353 120.570 -0.028 0.000 2.335 352 I HA -0.300 3.870 4.170 0.001 0.000 0.251 352 I C 2.488 178.591 176.117 -0.024 0.000 1.129 352 I CA 1.507 62.795 61.300 -0.019 0.000 1.402 352 I CB -1.071 36.918 38.000 -0.018 0.000 1.069 352 I HN 0.487 nan 8.210 nan 0.000 0.424 353 E N 1.277 121.454 120.200 -0.038 0.000 2.017 353 E HA -0.234 4.116 4.350 0.001 0.000 0.193 353 E C 2.192 178.774 176.600 -0.030 0.000 0.997 353 E CA 1.250 57.625 56.400 -0.041 0.000 0.804 353 E CB 0.169 29.829 29.700 -0.066 0.000 0.757 353 E HN 0.223 nan 8.360 nan 0.000 0.448 354 K N 0.593 120.973 120.400 -0.032 0.000 2.020 354 K HA -0.181 4.140 4.320 0.001 0.000 0.212 354 K C 2.321 178.917 176.600 -0.007 0.000 1.050 354 K CA 1.158 57.434 56.287 -0.017 0.000 0.929 354 K CB -0.849 31.643 32.500 -0.012 0.000 0.714 354 K HN 0.288 nan 8.250 nan 0.000 0.443 355 L N 0.725 121.944 121.223 -0.006 0.000 2.263 355 L HA -0.196 4.144 4.340 0.001 0.000 0.216 355 L C 0.845 177.715 176.870 -0.001 0.000 1.111 355 L CA 1.022 55.862 54.840 0.000 0.000 0.773 355 L CB -0.459 41.600 42.059 0.001 0.000 0.906 355 L HN 0.250 nan 8.230 nan 0.000 0.439 356 N N 0.453 119.150 118.700 -0.005 0.000 2.802 356 N HA 0.108 4.848 4.740 0.001 0.000 0.288 356 N C -0.707 174.800 175.510 -0.005 0.000 1.268 356 N CA -0.269 52.778 53.050 -0.005 0.000 1.035 356 N CB 0.168 38.650 38.487 -0.008 0.000 1.353 356 N HN 0.305 nan 8.380 nan 0.000 0.522 357 N N 0.000 118.699 118.700 -0.002 0.000 1.763 357 N HA 0.000 4.740 4.740 0.001 0.000 0.220 357 N CA 0.000 53.050 53.050 -0.001 0.000 0.885 357 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 357 N HN 0.000 nan 8.380 nan 0.000 0.667