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 3c5w_1_C DATA FIRST_RESID 6 DATA SEQUENCE FTKELDQWIE QLNECKQLSE SQVKSLCEKA KEILTKESNV QEVRCPVTVC DATA SEQUENCE GDVHGQFHDL MELFRIGGKS PDTNYLFMGD YVDRGYYSVE TVTLLVALKV DATA SEQUENCE RYRERITILR GNHESRQITQ VYGFYDECLR KYGNANVWKY FTDLFDYLPL DATA SEQUENCE TALVDGQIFC LHGGLSPSID TLDHIRALDR LQEVPHEGPM CDLLWSDPDD DATA SEQUENCE RGGWGISPRG AGYTFGQDIS ETFNHANGLT LVSRAHQLVM EGYNWCHDRN DATA SEQUENCE VVTIFSAPNY CYRCGNQAAI MELDDTLKYS FLQFDPAPXX XXXXXXXXTP DATA SEQUENCE DYFL 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 6 F HA 0.000 nan 4.527 nan 0.000 0.279 6 F C 0.000 175.634 175.800 -0.277 0.000 0.967 6 F CA 0.000 57.866 58.000 -0.223 0.000 1.383 6 F CB 0.000 38.896 39.000 -0.174 0.000 1.145 7 T N 1.006 115.509 114.554 -0.085 0.000 2.759 7 T HA -0.166 4.199 4.350 0.026 0.000 0.269 7 T C 1.630 176.162 174.700 -0.280 0.000 1.042 7 T CA 2.096 64.093 62.100 -0.172 0.000 1.140 7 T CB -0.159 68.660 68.868 -0.081 0.000 0.864 7 T HN 0.160 nan 8.240 nan 0.000 0.455 8 K N 0.451 120.703 120.400 -0.247 0.000 2.305 8 K HA 0.121 4.457 4.320 0.026 0.000 0.199 8 K C 2.335 178.723 176.600 -0.354 0.000 1.047 8 K CA 0.423 56.567 56.287 -0.237 0.000 0.976 8 K CB 0.124 32.538 32.500 -0.144 0.000 0.765 8 K HN 0.337 nan 8.250 nan 0.000 0.474 9 E N 0.672 120.553 120.200 -0.531 0.000 2.106 9 E HA -0.142 4.224 4.350 0.026 0.000 0.192 9 E C 1.765 177.614 176.600 -1.252 0.000 0.984 9 E CA 0.810 56.712 56.400 -0.830 0.000 0.806 9 E CB 0.060 29.176 29.700 -0.973 0.000 0.750 9 E HN 0.210 nan 8.360 nan 0.000 0.458 10 L N 1.152 121.698 121.223 -1.128 0.000 2.046 10 L HA -0.225 4.130 4.340 0.026 0.000 0.208 10 L C 2.049 178.679 176.870 -0.400 0.000 1.077 10 L CA 1.063 55.407 54.840 -0.826 0.000 0.747 10 L CB -0.271 41.415 42.059 -0.622 0.000 0.896 10 L HN 0.078 nan 8.230 nan 0.000 0.432 11 D N -0.652 119.551 120.400 -0.328 0.000 2.117 11 D HA -0.219 4.436 4.640 0.026 0.000 0.197 11 D C 2.142 178.381 176.300 -0.102 0.000 0.987 11 D CA 0.951 54.851 54.000 -0.167 0.000 0.829 11 D CB -0.156 40.564 40.800 -0.133 0.000 0.961 11 D HN 0.294 nan 8.370 nan 0.000 0.460 12 Q N -0.040 119.669 119.800 -0.153 0.000 2.050 12 Q HA -0.150 4.206 4.340 0.026 0.000 0.202 12 Q C 2.106 178.181 176.000 0.125 0.000 0.980 12 Q CA 1.155 56.935 55.803 -0.037 0.000 0.840 12 Q CB -0.268 28.429 28.738 -0.068 0.000 0.898 12 Q HN 0.370 nan 8.270 nan 0.000 0.424 13 W N 0.716 121.968 121.300 -0.080 0.000 2.358 13 W HA -0.105 4.569 4.660 0.025 0.000 0.303 13 W C 2.296 178.800 176.519 -0.026 0.000 1.208 13 W CA 0.315 57.627 57.345 -0.055 0.000 1.274 13 W CB -1.151 28.262 29.460 -0.080 0.000 1.138 13 W HN 0.160 nan 8.180 nan 0.000 0.515 14 I N 0.096 120.772 120.570 0.177 0.000 2.142 14 I HA -0.302 3.884 4.170 0.026 0.000 0.240 14 I C 2.539 178.709 176.117 0.089 0.000 1.078 14 I CA 1.888 63.252 61.300 0.107 0.000 1.343 14 I CB -0.816 37.213 38.000 0.047 0.000 1.046 14 I HN -0.031 nan 8.210 nan 0.000 0.405 15 E N 0.729 120.968 120.200 0.065 0.000 2.136 15 E HA -0.360 4.006 4.350 0.026 0.000 0.202 15 E C 2.180 178.825 176.600 0.076 0.000 1.019 15 E CA 1.976 58.410 56.400 0.057 0.000 0.819 15 E CB -0.105 29.619 29.700 0.040 0.000 0.739 15 E HN 0.537 nan 8.360 nan 0.000 0.458 16 Q N -0.014 119.844 119.800 0.096 0.000 2.049 16 Q HA -0.118 4.237 4.340 0.026 0.000 0.198 16 Q C 2.525 178.573 176.000 0.080 0.000 0.971 16 Q CA 0.926 56.780 55.803 0.085 0.000 0.833 16 Q CB 0.005 28.801 28.738 0.097 0.000 0.896 16 Q HN 0.340 nan 8.270 nan 0.000 0.434 17 L N 1.143 122.428 121.223 0.103 0.000 2.131 17 L HA -0.182 4.174 4.340 0.026 0.000 0.210 17 L C 2.081 179.079 176.870 0.213 0.000 1.092 17 L CA 0.705 55.613 54.840 0.114 0.000 0.759 17 L CB -0.419 41.729 42.059 0.148 0.000 0.903 17 L HN 0.279 nan 8.230 nan 0.000 0.435 18 N N 0.289 119.102 118.700 0.189 0.000 2.443 18 N HA -0.164 4.591 4.740 0.026 0.000 0.184 18 N C 0.852 176.502 175.510 0.233 0.000 1.037 18 N CA 1.029 54.202 53.050 0.206 0.000 0.896 18 N CB 0.062 38.605 38.487 0.092 0.000 0.959 18 N HN 0.538 nan 8.380 nan 0.000 0.442 19 E N -0.392 119.904 120.200 0.159 0.000 2.451 19 E HA 0.099 4.465 4.350 0.026 0.000 0.194 19 E C -0.092 176.540 176.600 0.053 0.000 1.027 19 E CA -0.300 56.170 56.400 0.116 0.000 0.914 19 E CB 0.002 29.744 29.700 0.071 0.000 1.054 19 E HN 0.149 nan 8.360 nan 0.000 0.461 20 C N 2.042 121.321 119.300 -0.036 0.000 4.028 20 C HA -0.202 4.274 4.460 0.026 0.000 0.300 20 C C -0.227 174.628 174.990 -0.225 0.000 1.399 20 C CA 0.918 59.639 59.018 -0.494 0.000 2.051 20 C CB -1.865 25.512 27.740 -0.605 0.000 1.318 20 C HN 0.291 nan 8.230 nan 0.000 0.696 21 K N 1.252 121.580 120.400 -0.120 0.000 2.483 21 K HA 0.373 4.708 4.320 0.026 0.000 0.256 21 K C 0.190 176.758 176.600 -0.054 0.000 0.961 21 K CA -0.239 56.010 56.287 -0.063 0.000 0.873 21 K CB 1.218 33.707 32.500 -0.019 0.000 1.107 21 K HN 0.712 nan 8.250 nan 0.000 0.432 22 Q N 3.522 123.285 119.800 -0.062 0.000 2.414 22 Q HA 0.062 4.418 4.340 0.026 0.000 0.288 22 Q C -0.495 175.491 176.000 -0.023 0.000 1.086 22 Q CA 0.067 55.854 55.803 -0.027 0.000 0.943 22 Q CB 0.472 29.167 28.738 -0.073 0.000 1.282 22 Q HN 0.446 nan 8.270 nan 0.000 0.438 23 L N 1.864 123.084 121.223 -0.006 0.000 2.453 23 L HA 0.212 4.567 4.340 0.026 0.000 0.261 23 L C 0.718 177.602 176.870 0.024 0.000 1.179 23 L CA -0.725 54.045 54.840 -0.118 0.000 0.813 23 L CB 1.002 42.855 42.059 -0.342 0.000 1.110 23 L HN 0.924 nan 8.230 nan 0.000 0.466 24 S N -0.516 115.152 115.700 -0.053 0.000 2.584 24 S HA -0.014 4.472 4.470 0.026 0.000 0.270 24 S C 0.908 175.548 174.600 0.067 0.000 1.346 24 S CA -0.354 57.883 58.200 0.062 0.000 1.018 24 S CB 1.094 64.287 63.200 -0.012 0.000 0.899 24 S HN 0.790 nan 8.310 nan 0.000 0.542 25 E N 1.052 121.330 120.200 0.130 0.000 2.097 25 E HA -0.217 4.149 4.350 0.026 0.000 0.196 25 E C 2.010 178.557 176.600 -0.087 0.000 1.000 25 E CA 1.515 57.868 56.400 -0.077 0.000 0.804 25 E CB -0.403 29.289 29.700 -0.013 0.000 0.740 25 E HN 0.745 nan 8.360 nan 0.000 0.454 26 S N -0.241 115.422 115.700 -0.061 0.000 2.370 26 S HA -0.211 4.274 4.470 0.026 0.000 0.226 26 S C 1.939 176.442 174.600 -0.161 0.000 1.033 26 S CA 1.625 59.772 58.200 -0.089 0.000 1.011 26 S CB -0.106 63.073 63.200 -0.035 0.000 0.852 26 S HN 0.346 nan 8.310 nan 0.000 0.457 27 Q N -0.152 119.507 119.800 -0.235 0.000 2.123 27 Q HA 0.001 4.356 4.340 0.026 0.000 0.199 27 Q C 2.263 177.963 176.000 -0.500 0.000 0.966 27 Q CA 1.362 56.884 55.803 -0.469 0.000 0.845 27 Q CB -0.147 28.066 28.738 -0.876 0.000 0.907 27 Q HN 0.431 nan 8.270 nan 0.000 0.439 28 V N 1.450 121.136 119.914 -0.380 0.000 2.343 28 V HA -0.293 3.842 4.120 0.026 0.000 0.247 28 V C 2.259 178.098 176.094 -0.424 0.000 1.051 28 V CA 1.827 63.916 62.300 -0.352 0.000 1.036 28 V CB -0.512 31.139 31.823 -0.288 0.000 0.654 28 V HN 0.319 nan 8.190 nan 0.000 0.451 29 K N 0.081 120.181 120.400 -0.499 0.000 2.032 29 K HA -0.203 4.133 4.320 0.026 0.000 0.209 29 K C 2.346 178.690 176.600 -0.427 0.000 1.048 29 K CA 2.028 57.853 56.287 -0.771 0.000 0.927 29 K CB -0.187 31.823 32.500 -0.817 0.000 0.712 29 K HN 0.493 nan 8.250 nan 0.000 0.441 30 S N 1.162 116.738 115.700 -0.207 0.000 2.368 30 S HA -0.129 4.356 4.470 0.026 0.000 0.224 30 S C 1.746 176.394 174.600 0.080 0.000 1.029 30 S CA 0.855 59.054 58.200 -0.001 0.000 0.988 30 S CB -0.299 63.038 63.200 0.228 0.000 0.838 30 S HN 0.214 nan 8.310 nan 0.000 0.462 31 L N 1.830 123.108 121.223 0.091 0.000 1.990 31 L HA -0.155 4.201 4.340 0.026 0.000 0.213 31 L C 2.330 179.202 176.870 0.003 0.000 1.072 31 L CA 1.687 56.616 54.840 0.147 0.000 0.755 31 L CB -1.089 41.016 42.059 0.077 0.000 0.889 31 L HN 0.359 nan 8.230 nan 0.000 0.432 32 C N -0.705 118.500 119.300 -0.158 0.000 2.422 32 C HA -0.120 4.355 4.460 0.026 0.000 0.279 32 C C 2.551 177.428 174.990 -0.187 0.000 1.305 32 C CA 0.680 59.574 59.018 -0.207 0.000 1.757 32 C CB -0.965 26.562 27.740 -0.355 0.000 1.962 32 C HN 0.576 nan 8.230 nan 0.000 0.499 33 E N 0.620 120.710 120.200 -0.183 0.000 2.072 33 E HA -0.226 4.140 4.350 0.026 0.000 0.191 33 E C 2.170 178.683 176.600 -0.144 0.000 0.985 33 E CA 1.112 57.407 56.400 -0.175 0.000 0.801 33 E CB -0.099 29.504 29.700 -0.161 0.000 0.750 33 E HN 0.558 nan 8.360 nan 0.000 0.452 34 K N 0.174 120.524 120.400 -0.083 0.000 2.167 34 K HA -0.003 4.333 4.320 0.026 0.000 0.203 34 K C 1.955 178.524 176.600 -0.052 0.000 1.052 34 K CA 0.766 57.013 56.287 -0.067 0.000 0.956 34 K CB 0.070 32.559 32.500 -0.017 0.000 0.735 34 K HN 0.062 nan 8.250 nan 0.000 0.451 35 A N 1.431 124.228 122.820 -0.038 0.000 1.902 35 A HA -0.184 4.151 4.320 0.026 0.000 0.217 35 A C 1.815 179.345 177.584 -0.090 0.000 1.181 35 A CA 1.551 53.575 52.037 -0.023 0.000 0.623 35 A CB -0.327 18.681 19.000 0.013 0.000 0.818 35 A HN 0.235 nan 8.150 nan 0.000 0.443 36 K N -0.549 119.717 120.400 -0.223 0.000 2.044 36 K HA -0.221 4.115 4.320 0.026 0.000 0.210 36 K C 2.082 178.480 176.600 -0.336 0.000 1.049 36 K CA 1.848 57.831 56.287 -0.507 0.000 0.927 36 K CB -0.187 31.889 32.500 -0.707 0.000 0.713 36 K HN 0.636 nan 8.250 nan 0.000 0.443 37 E N 0.567 120.646 120.200 -0.202 0.000 2.110 37 E HA -0.162 4.204 4.350 0.026 0.000 0.193 37 E C 1.947 178.521 176.600 -0.043 0.000 0.988 37 E CA 0.992 57.326 56.400 -0.110 0.000 0.804 37 E CB 0.039 29.680 29.700 -0.100 0.000 0.745 37 E HN 0.250 nan 8.360 nan 0.000 0.458 38 I N 0.341 120.895 120.570 -0.026 0.000 2.193 38 I HA -0.263 3.923 4.170 0.026 0.000 0.240 38 I C 2.130 178.278 176.117 0.053 0.000 1.084 38 I CA 0.871 62.182 61.300 0.018 0.000 1.365 38 I CB -0.120 37.899 38.000 0.031 0.000 1.064 38 I HN 0.125 nan 8.210 nan 0.000 0.410 39 L N 0.102 121.365 121.223 0.067 0.000 2.275 39 L HA -0.160 4.195 4.340 0.026 0.000 0.215 39 L C 2.498 179.482 176.870 0.191 0.000 1.119 39 L CA 1.062 55.983 54.840 0.136 0.000 0.790 39 L CB -0.840 41.327 42.059 0.180 0.000 0.919 39 L HN 0.269 nan 8.230 nan 0.000 0.443 40 T N -0.568 114.098 114.554 0.185 0.000 2.759 40 T HA -0.219 4.147 4.350 0.026 0.000 0.269 40 T C 1.839 176.617 174.700 0.130 0.000 1.042 40 T CA 1.282 63.510 62.100 0.214 0.000 1.140 40 T CB -0.102 68.864 68.868 0.163 0.000 0.864 40 T HN 0.298 nan 8.240 nan 0.000 0.455 41 K N 0.731 121.187 120.400 0.093 0.000 2.439 41 K HA 0.063 4.399 4.320 0.026 0.000 0.197 41 K C 0.741 177.387 176.600 0.077 0.000 1.041 41 K CA 0.493 56.823 56.287 0.072 0.000 0.970 41 K CB 0.175 32.708 32.500 0.054 0.000 0.773 41 K HN 0.515 nan 8.250 nan 0.000 0.479 42 E N 0.699 120.956 120.200 0.095 0.000 2.319 42 E HA 0.087 4.453 4.350 0.026 0.000 0.268 42 E C -0.530 176.124 176.600 0.091 0.000 1.050 42 E CA -0.228 56.228 56.400 0.094 0.000 0.878 42 E CB 1.648 31.413 29.700 0.107 0.000 1.066 42 E HN -0.090 nan 8.360 nan 0.000 0.406 43 S N 0.927 116.679 115.700 0.085 0.000 2.646 43 S HA 0.101 4.586 4.470 0.026 0.000 0.276 43 S C 0.852 175.507 174.600 0.091 0.000 1.222 43 S CA -0.602 57.646 58.200 0.081 0.000 1.014 43 S CB 0.713 63.958 63.200 0.075 0.000 0.991 43 S HN 0.395 nan 8.310 nan 0.000 0.533 44 N N 1.226 119.979 118.700 0.088 0.000 2.205 44 N HA -0.057 4.699 4.740 0.026 0.000 0.186 44 N C 0.123 175.712 175.510 0.131 0.000 1.015 44 N CA 0.953 54.063 53.050 0.100 0.000 0.862 44 N CB -0.325 38.218 38.487 0.094 0.000 0.986 44 N HN 0.375 nan 8.380 nan 0.000 0.429 45 V N 1.685 121.679 119.914 0.134 0.000 2.239 45 V HA 0.173 4.308 4.120 0.026 0.000 0.267 45 V C 0.006 176.179 176.094 0.132 0.000 1.056 45 V CA -0.781 61.621 62.300 0.170 0.000 0.830 45 V CB 0.666 32.599 31.823 0.183 0.000 1.090 45 V HN 0.056 nan 8.190 nan 0.000 0.459 46 Q N 3.166 123.038 119.800 0.121 0.000 2.286 46 Q HA 0.156 4.512 4.340 0.026 0.000 0.267 46 Q C -0.024 176.035 176.000 0.098 0.000 1.028 46 Q CA 0.260 56.124 55.803 0.102 0.000 0.901 46 Q CB 0.574 29.372 28.738 0.100 0.000 1.183 46 Q HN 0.726 nan 8.270 nan 0.000 0.392 47 E N 2.209 122.460 120.200 0.083 0.000 2.299 47 E HA 0.295 4.661 4.350 0.026 0.000 0.272 47 E C -0.962 175.678 176.600 0.067 0.000 1.043 47 E CA -0.126 56.318 56.400 0.074 0.000 0.895 47 E CB 0.887 30.622 29.700 0.059 0.000 1.011 47 E HN 0.319 nan 8.360 nan 0.000 0.432 48 V N 3.858 123.811 119.914 0.065 0.000 2.656 48 V HA 0.451 4.587 4.120 0.026 0.000 0.307 48 V C -0.262 175.857 176.094 0.041 0.000 1.051 48 V CA -1.043 61.289 62.300 0.054 0.000 0.893 48 V CB 1.707 33.562 31.823 0.054 0.000 0.999 48 V HN 0.676 nan 8.190 nan 0.000 0.426 49 R N 2.734 123.252 120.500 0.030 0.000 2.460 49 R HA 0.694 5.050 4.340 0.026 0.000 0.303 49 R C -0.020 176.283 176.300 0.005 0.000 0.968 49 R CA -0.566 55.545 56.100 0.019 0.000 0.889 49 R CB 0.990 31.300 30.300 0.015 0.000 1.123 49 R HN 0.789 nan 8.270 nan 0.000 0.455 50 C N 1.287 120.587 119.300 -0.000 0.000 2.649 50 C HA 0.488 4.963 4.460 0.026 0.000 0.377 50 C C -1.596 173.378 174.990 -0.026 0.000 1.321 50 C CA -1.547 57.461 59.018 -0.017 0.000 2.368 50 C CB -0.006 27.726 27.740 -0.013 0.000 2.597 50 C HN 0.707 nan 8.230 nan 0.000 0.678 51 P HA 0.447 nan 4.420 nan 0.000 0.281 51 P C -0.726 176.524 177.300 -0.084 0.000 1.252 51 P CA 0.191 63.253 63.100 -0.064 0.000 0.778 51 P CB 0.946 32.601 31.700 -0.076 0.000 0.895 52 V N 1.817 121.676 119.914 -0.092 0.000 3.078 52 V HA 0.520 4.656 4.120 0.026 0.000 0.311 52 V C 0.072 176.072 176.094 -0.155 0.000 1.138 52 V CA -0.671 61.559 62.300 -0.117 0.000 1.007 52 V CB 2.133 33.918 31.823 -0.063 0.000 1.045 52 V HN 0.449 nan 8.190 nan 0.000 0.432 53 T N 1.960 116.386 114.554 -0.213 0.000 2.772 53 T HA 0.515 4.880 4.350 0.026 0.000 0.288 53 T C -0.276 174.351 174.700 -0.121 0.000 0.994 53 T CA -0.302 61.684 62.100 -0.190 0.000 0.951 53 T CB 1.210 69.907 68.868 -0.285 0.000 0.933 53 T HN 0.491 nan 8.240 nan 0.000 0.447 54 V N 3.299 123.141 119.914 -0.121 0.000 2.530 54 V HA 0.305 4.441 4.120 0.026 0.000 0.282 54 V C 0.319 176.333 176.094 -0.133 0.000 1.048 54 V CA -0.689 61.540 62.300 -0.118 0.000 0.997 54 V CB 0.348 32.116 31.823 -0.091 0.000 0.987 54 V HN 0.996 nan 8.190 nan 0.000 0.477 55 C N 4.066 123.241 119.300 -0.209 0.000 2.455 55 C HA 0.840 5.316 4.460 0.026 0.000 0.320 55 C C 1.056 176.001 174.990 -0.076 0.000 1.226 55 C CA -0.459 58.435 59.018 -0.208 0.000 1.569 55 C CB 0.926 28.318 27.740 -0.581 0.000 2.200 55 C HN 1.079 nan 8.230 nan 0.000 0.491 56 G N 1.043 109.821 108.800 -0.037 0.000 2.641 56 G HA2 0.462 4.438 3.960 0.026 0.000 0.239 56 G HA3 0.462 4.438 3.960 0.026 0.000 0.239 56 G C -0.896 173.934 174.900 -0.115 0.000 1.402 56 G CA -0.336 44.739 45.100 -0.043 0.000 1.046 56 G HN 0.750 nan 8.290 nan 0.000 0.565 57 D N -1.130 119.114 120.400 -0.260 0.000 2.525 57 D HA 0.194 4.849 4.640 0.026 0.000 0.235 57 D C 0.876 176.849 176.300 -0.545 0.000 1.137 57 D CA 0.145 53.818 54.000 -0.546 0.000 0.868 57 D CB 1.957 42.316 40.800 -0.734 0.000 1.180 57 D HN 0.001 nan 8.370 nan 0.000 0.465 58 V N 2.547 122.192 119.914 -0.448 0.000 3.359 58 V HA -0.046 4.089 4.120 0.026 0.000 0.245 58 V C 0.277 176.355 176.094 -0.027 0.000 1.247 58 V CA 0.118 62.319 62.300 -0.165 0.000 1.145 58 V CB -0.329 31.487 31.823 -0.012 0.000 0.906 58 V HN 0.747 nan 8.190 nan 0.000 0.464 59 H N -0.028 119.020 119.070 -0.038 0.000 2.770 59 H HA -0.184 4.389 4.556 0.027 0.000 0.309 59 H C 1.553 176.989 175.328 0.180 0.000 1.206 59 H CA 1.114 57.215 56.048 0.088 0.000 1.147 59 H CB -1.606 28.307 29.762 0.251 0.000 1.422 59 H HN 0.745 nan 8.280 nan 0.000 0.420 60 G N 0.375 109.307 108.800 0.220 0.000 2.180 60 G HA2 -0.380 3.596 3.960 0.026 0.000 0.263 60 G HA3 -0.380 3.596 3.960 0.026 0.000 0.263 60 G C 0.442 175.562 174.900 0.367 0.000 0.989 60 G CA 0.721 45.976 45.100 0.259 0.000 0.692 60 G HN 0.599 nan 8.290 nan 0.000 0.526 61 Q N -0.490 119.512 119.800 0.338 0.000 3.027 61 Q HA 0.450 4.805 4.340 0.026 0.000 0.260 61 Q C 1.348 177.529 176.000 0.303 0.000 1.379 61 Q CA -0.666 55.373 55.803 0.394 0.000 1.038 61 Q CB -0.173 28.784 28.738 0.365 0.000 1.578 61 Q HN 0.509 nan 8.270 nan 0.000 0.571 62 F N 1.219 121.277 119.950 0.180 0.000 2.063 62 F HA -0.356 4.187 4.527 0.026 0.000 0.298 62 F C 1.374 177.099 175.800 -0.125 0.000 1.105 62 F CA 2.258 60.246 58.000 -0.020 0.000 1.215 62 F CB 0.106 39.030 39.000 -0.127 0.000 0.972 62 F HN 0.562 nan 8.300 nan 0.000 0.483 63 H N -0.463 118.554 119.070 -0.089 0.000 2.389 63 H HA -0.117 4.454 4.556 0.026 0.000 0.299 63 H C 1.847 177.076 175.328 -0.165 0.000 1.081 63 H CA 1.638 57.563 56.048 -0.206 0.000 1.345 63 H CB -0.521 29.184 29.762 -0.094 0.000 1.393 63 H HN 0.298 nan 8.280 nan 0.000 0.520 64 D N 0.064 120.501 120.400 0.062 0.000 2.269 64 D HA -0.088 4.568 4.640 0.026 0.000 0.208 64 D C 2.087 178.374 176.300 -0.022 0.000 0.963 64 D CA 0.358 54.409 54.000 0.085 0.000 0.864 64 D CB -0.145 40.765 40.800 0.183 0.000 0.936 64 D HN 0.264 nan 8.370 nan 0.000 0.505 65 L N 0.176 121.310 121.223 -0.148 0.000 2.109 65 L HA -0.075 4.281 4.340 0.026 0.000 0.207 65 L C 1.991 178.609 176.870 -0.420 0.000 1.086 65 L CA 1.191 55.840 54.840 -0.318 0.000 0.760 65 L CB -0.258 41.629 42.059 -0.286 0.000 0.910 65 L HN -0.148 nan 8.230 nan 0.000 0.437 66 M N -0.551 118.843 119.600 -0.344 0.000 2.117 66 M HA -0.201 4.294 4.480 0.026 0.000 0.262 66 M C 2.257 178.483 176.300 -0.123 0.000 1.065 66 M CA 1.579 56.774 55.300 -0.176 0.000 1.114 66 M CB -1.189 31.231 32.600 -0.299 0.000 1.361 66 M HN 0.342 nan 8.290 nan 0.000 0.408 67 E N 0.910 121.012 120.200 -0.162 0.000 2.085 67 E HA -0.160 4.205 4.350 0.026 0.000 0.194 67 E C 2.047 178.391 176.600 -0.427 0.000 0.994 67 E CA 1.059 57.351 56.400 -0.180 0.000 0.801 67 E CB -0.465 29.203 29.700 -0.054 0.000 0.743 67 E HN 0.465 nan 8.360 nan 0.000 0.453 68 L N -0.574 120.289 121.223 -0.600 0.000 2.043 68 L HA -0.218 4.138 4.340 0.026 0.000 0.212 68 L C 1.922 178.484 176.870 -0.512 0.000 1.075 68 L CA 1.519 55.853 54.840 -0.844 0.000 0.752 68 L CB -0.249 41.406 42.059 -0.673 0.000 0.891 68 L HN 0.174 nan 8.230 nan 0.000 0.432 69 F N -0.022 119.789 119.950 -0.231 0.000 2.259 69 F HA -0.083 4.458 4.527 0.023 0.000 0.298 69 F C 2.626 178.380 175.800 -0.077 0.000 1.088 69 F CA 0.998 58.936 58.000 -0.104 0.000 1.358 69 F CB -0.527 38.414 39.000 -0.098 0.000 1.040 69 F HN -0.015 nan 8.300 nan 0.000 0.505 70 R N -0.315 120.209 120.500 0.039 0.000 2.148 70 R HA -0.102 4.253 4.340 0.026 0.000 0.227 70 R C 1.894 178.172 176.300 -0.038 0.000 1.103 70 R CA 0.809 56.908 56.100 -0.001 0.000 0.983 70 R CB -0.137 30.147 30.300 -0.027 0.000 0.874 70 R HN 0.221 nan 8.270 nan 0.000 0.451 71 I N -0.833 119.662 120.570 -0.125 0.000 2.272 71 I HA -0.038 4.148 4.170 0.026 0.000 0.235 71 I C 2.418 178.516 176.117 -0.032 0.000 1.071 71 I CA 1.472 62.700 61.300 -0.120 0.000 1.374 71 I CB -1.581 36.244 38.000 -0.291 0.000 1.121 71 I HN 0.176 nan 8.210 nan 0.000 0.420 72 G N -0.180 108.626 108.800 0.010 0.000 2.448 72 G HA2 0.248 4.224 3.960 0.026 0.000 0.218 72 G HA3 0.248 4.224 3.960 0.026 0.000 0.218 72 G C 0.848 175.815 174.900 0.111 0.000 1.135 72 G CA 0.833 45.991 45.100 0.097 0.000 0.784 72 G HN 0.765 nan 8.290 nan 0.000 0.543 73 G N -1.048 107.867 108.800 0.192 0.000 2.515 73 G HA2 -0.039 3.936 3.960 0.026 0.000 0.686 73 G HA3 -0.039 3.936 3.960 0.026 0.000 0.686 73 G C -0.629 174.438 174.900 0.279 0.000 1.274 73 G CA -0.669 44.522 45.100 0.152 0.000 0.874 73 G HN 0.402 nan 8.290 nan 0.000 0.631 74 K N 0.034 120.500 120.400 0.109 0.000 2.295 74 K HA 0.497 4.832 4.320 0.026 0.000 0.270 74 K C 0.836 177.446 176.600 0.018 0.000 1.011 74 K CA 0.290 56.575 56.287 -0.004 0.000 0.953 74 K CB 1.099 33.557 32.500 -0.070 0.000 0.956 74 K HN 0.628 nan 8.250 nan 0.000 0.477 75 S N 2.389 118.048 115.700 -0.068 0.000 2.565 75 S HA 0.242 4.727 4.470 0.026 0.000 0.274 75 S C -1.588 172.918 174.600 -0.156 0.000 1.309 75 S CA -1.444 56.740 58.200 -0.027 0.000 1.043 75 S CB 0.667 63.900 63.200 0.055 0.000 0.939 75 S HN 0.478 nan 8.310 nan 0.000 0.504 76 P HA 0.200 nan 4.420 nan 0.000 0.261 76 P C 0.235 177.372 177.300 -0.271 0.000 1.268 76 P CA -0.004 62.804 63.100 -0.486 0.000 0.833 76 P CB 0.198 31.169 31.700 -1.213 0.000 1.231 77 D N 0.710 120.998 120.400 -0.186 0.000 2.106 77 D HA -0.079 4.576 4.640 0.026 0.000 0.191 77 D C 0.509 176.728 176.300 -0.136 0.000 0.997 77 D CA 1.355 55.275 54.000 -0.134 0.000 0.834 77 D CB -0.854 39.890 40.800 -0.093 0.000 0.956 77 D HN 0.166 nan 8.370 nan 0.000 0.448 78 T N 2.579 117.049 114.554 -0.141 0.000 2.817 78 T HA 0.197 4.562 4.350 0.026 0.000 0.293 78 T C 0.294 174.808 174.700 -0.311 0.000 0.964 78 T CA -0.665 61.274 62.100 -0.267 0.000 1.085 78 T CB 0.800 69.434 68.868 -0.390 0.000 0.921 78 T HN -0.023 nan 8.240 nan 0.000 0.502 79 N N 2.533 121.053 118.700 -0.299 0.000 2.488 79 N HA 0.253 5.009 4.740 0.026 0.000 0.274 79 N C -1.072 174.248 175.510 -0.316 0.000 1.111 79 N CA -0.032 52.902 53.050 -0.193 0.000 0.974 79 N CB 0.814 39.234 38.487 -0.111 0.000 1.089 79 N HN 0.521 nan 8.380 nan 0.000 0.465 80 Y N 0.527 120.840 120.300 0.022 0.000 2.524 80 Y HA 0.483 5.048 4.550 0.025 0.000 0.344 80 Y C -0.130 175.740 175.900 -0.050 0.000 1.012 80 Y CA -1.111 56.949 58.100 -0.067 0.000 1.068 80 Y CB 1.707 40.149 38.460 -0.030 0.000 1.249 80 Y HN 0.311 nan 8.280 nan 0.000 0.468 81 L N 3.322 124.543 121.223 -0.004 0.000 2.372 81 L HA 0.623 4.979 4.340 0.026 0.000 0.274 81 L C -2.094 174.711 176.870 -0.108 0.000 0.988 81 L CA -0.704 54.151 54.840 0.025 0.000 0.833 81 L CB 0.255 42.323 42.059 0.016 0.000 1.236 81 L HN 0.393 nan 8.230 nan 0.000 0.410 82 F N 5.096 125.129 119.950 0.139 0.000 2.421 82 F HA 0.468 5.009 4.527 0.024 0.000 0.337 82 F C 1.122 177.007 175.800 0.141 0.000 1.105 82 F CA -0.395 57.699 58.000 0.156 0.000 1.049 82 F CB 1.897 41.044 39.000 0.245 0.000 1.139 82 F HN 0.446 nan 8.300 nan 0.000 0.479 83 M N 2.936 122.664 119.600 0.213 0.000 2.549 83 M HA 0.321 4.816 4.480 0.026 0.000 0.273 83 M C 0.541 176.817 176.300 -0.040 0.000 1.213 83 M CA -0.035 55.316 55.300 0.086 0.000 0.976 83 M CB -0.290 32.334 32.600 0.039 0.000 1.457 83 M HN 0.872 nan 8.290 nan 0.000 0.485 84 G N 0.378 109.008 108.800 -0.284 0.000 2.631 84 G HA2 -0.144 3.832 3.960 0.026 0.000 0.504 84 G HA3 -0.144 3.832 3.960 0.026 0.000 0.504 84 G C -0.848 173.298 174.900 -1.257 0.000 1.306 84 G CA -0.800 43.681 45.100 -1.030 0.000 0.897 84 G HN 0.427 nan 8.290 nan 0.000 0.520 85 D N -1.662 117.951 120.400 -1.311 0.000 2.956 85 D HA -0.146 4.510 4.640 0.026 0.000 0.240 85 D C 0.637 176.447 176.300 -0.817 0.000 1.141 85 D CA 1.619 55.007 54.000 -1.019 0.000 0.820 85 D CB -1.154 38.982 40.800 -1.107 0.000 0.988 85 D HN 0.684 nan 8.370 nan 0.000 0.417 86 Y N -1.338 118.739 120.300 -0.372 0.000 2.510 86 Y HA 0.171 4.735 4.550 0.024 0.000 0.273 86 Y C 1.537 177.303 175.900 -0.224 0.000 1.119 86 Y CA 0.156 58.081 58.100 -0.293 0.000 1.286 86 Y CB 0.333 38.610 38.460 -0.304 0.000 1.061 86 Y HN 0.235 nan 8.280 nan 0.000 0.542 87 V N -2.481 117.359 119.914 -0.125 0.000 2.769 87 V HA 0.776 4.912 4.120 0.026 0.000 0.312 87 V C -0.773 175.483 176.094 0.269 0.000 1.061 87 V CA -0.669 61.581 62.300 -0.084 0.000 0.931 87 V CB 2.523 34.038 31.823 -0.513 0.000 1.010 87 V HN -0.008 nan 8.190 nan 0.000 0.433 88 D N 1.350 121.955 120.400 0.342 0.000 3.269 88 D HA 0.302 4.958 4.640 0.026 0.000 0.119 88 D C -0.062 176.436 176.300 0.329 0.000 1.465 88 D CA -0.377 53.928 54.000 0.508 0.000 1.424 88 D CB 0.702 41.860 40.800 0.597 0.000 2.075 88 D HN 0.570 nan 8.370 nan 0.000 0.311 89 R N 0.163 120.790 120.500 0.212 0.000 2.774 89 R HA 0.515 4.870 4.340 0.026 0.000 0.269 89 R C 0.724 176.975 176.300 -0.082 0.000 1.068 89 R CA 0.346 56.436 56.100 -0.015 0.000 1.180 89 R CB -0.269 29.931 30.300 -0.167 0.000 1.077 89 R HN 0.456 nan 8.270 nan 0.000 0.513 90 G N 0.747 109.359 108.800 -0.313 0.000 3.530 90 G HA2 0.140 4.116 3.960 0.026 0.000 0.269 90 G HA3 0.140 4.116 3.960 0.026 0.000 0.269 90 G C 0.241 174.960 174.900 -0.302 0.000 1.314 90 G CA -0.168 44.819 45.100 -0.189 0.000 1.441 90 G HN 0.521 nan 8.290 nan 0.000 0.595 91 Y N -1.214 119.079 120.300 -0.012 0.000 2.265 91 Y HA 0.217 4.783 4.550 0.025 0.000 0.290 91 Y C 1.221 176.869 175.900 -0.420 0.000 1.137 91 Y CA 0.547 58.517 58.100 -0.217 0.000 1.147 91 Y CB 0.349 38.751 38.460 -0.096 0.000 1.104 91 Y HN 0.222 nan 8.280 nan 0.000 0.514 92 Y N -1.469 119.055 120.300 0.373 0.000 2.738 92 Y HA 0.296 4.862 4.550 0.026 0.000 0.249 92 Y C 1.648 177.693 175.900 0.242 0.000 1.153 92 Y CA -0.372 57.885 58.100 0.260 0.000 1.165 92 Y CB 0.633 39.278 38.460 0.308 0.000 1.235 92 Y HN -0.036 nan 8.280 nan 0.000 0.559 93 S N -0.188 115.723 115.700 0.351 0.000 2.382 93 S HA -0.153 4.332 4.470 0.026 0.000 0.228 93 S C 2.130 176.880 174.600 0.251 0.000 1.027 93 S CA 1.481 59.848 58.200 0.279 0.000 0.991 93 S CB -0.195 63.178 63.200 0.289 0.000 0.823 93 S HN 0.319 nan 8.310 nan 0.000 0.469 94 V N 1.559 121.709 119.914 0.393 0.000 2.261 94 V HA -0.193 3.942 4.120 0.026 0.000 0.246 94 V C 2.300 178.515 176.094 0.201 0.000 1.047 94 V CA 1.925 64.460 62.300 0.391 0.000 1.015 94 V CB -0.796 31.248 31.823 0.369 0.000 0.642 94 V HN 0.390 nan 8.190 nan 0.000 0.446 95 E N 0.327 120.616 120.200 0.147 0.000 2.077 95 E HA -0.166 4.199 4.350 0.026 0.000 0.193 95 E C 2.267 178.982 176.600 0.191 0.000 0.989 95 E CA 1.886 58.320 56.400 0.056 0.000 0.800 95 E CB -0.698 28.821 29.700 -0.302 0.000 0.746 95 E HN 0.635 nan 8.360 nan 0.000 0.452 96 T N 0.201 114.910 114.554 0.257 0.000 2.674 96 T HA -0.161 4.205 4.350 0.026 0.000 0.265 96 T C 2.002 176.729 174.700 0.044 0.000 1.039 96 T CA 1.325 63.565 62.100 0.233 0.000 1.150 96 T CB -0.533 68.458 68.868 0.206 0.000 0.864 96 T HN 0.054 nan 8.240 nan 0.000 0.427 97 V N 1.291 121.177 119.914 -0.047 0.000 2.323 97 V HA -0.166 3.969 4.120 0.026 0.000 0.244 97 V C 2.569 178.615 176.094 -0.081 0.000 1.041 97 V CA 2.315 64.509 62.300 -0.176 0.000 1.025 97 V CB -0.992 30.599 31.823 -0.387 0.000 0.656 97 V HN 0.571 nan 8.190 nan 0.000 0.451 98 T N 1.123 115.687 114.554 0.017 0.000 2.759 98 T HA -0.216 4.150 4.350 0.026 0.000 0.269 98 T C 1.772 176.569 174.700 0.162 0.000 1.042 98 T CA 1.972 64.210 62.100 0.231 0.000 1.140 98 T CB -0.433 68.609 68.868 0.291 0.000 0.864 98 T HN 0.389 nan 8.240 nan 0.000 0.455 99 L N 1.058 122.356 121.223 0.126 0.000 1.994 99 L HA 0.074 4.429 4.340 0.026 0.000 0.208 99 L C 2.157 179.057 176.870 0.050 0.000 1.071 99 L CA 1.600 56.513 54.840 0.121 0.000 0.745 99 L CB -0.915 41.255 42.059 0.186 0.000 0.892 99 L HN 0.233 nan 8.230 nan 0.000 0.431 100 L N -1.519 119.671 121.223 -0.056 0.000 2.083 100 L HA -0.189 4.167 4.340 0.026 0.000 0.209 100 L C 2.421 179.228 176.870 -0.105 0.000 1.083 100 L CA 0.876 55.600 54.840 -0.192 0.000 0.752 100 L CB -0.651 41.085 42.059 -0.539 0.000 0.899 100 L HN 0.138 nan 8.230 nan 0.000 0.433 101 V N -0.050 119.851 119.914 -0.022 0.000 2.358 101 V HA -0.248 3.888 4.120 0.026 0.000 0.246 101 V C 2.740 178.894 176.094 0.099 0.000 1.047 101 V CA 1.728 64.072 62.300 0.072 0.000 1.035 101 V CB -0.771 31.178 31.823 0.209 0.000 0.658 101 V HN 0.471 nan 8.190 nan 0.000 0.452 102 A N -0.386 122.507 122.820 0.121 0.000 1.933 102 A HA -0.148 4.188 4.320 0.026 0.000 0.218 102 A C 2.225 179.849 177.584 0.066 0.000 1.175 102 A CA 1.643 53.760 52.037 0.133 0.000 0.628 102 A CB -0.495 18.611 19.000 0.177 0.000 0.814 102 A HN 0.494 nan 8.150 nan 0.000 0.444 103 L N -1.025 120.242 121.223 0.074 0.000 2.046 103 L HA -0.195 4.161 4.340 0.026 0.000 0.208 103 L C 2.639 179.589 176.870 0.134 0.000 1.077 103 L CA 1.880 56.789 54.840 0.116 0.000 0.747 103 L CB -0.367 41.782 42.059 0.151 0.000 0.896 103 L HN 0.383 nan 8.230 nan 0.000 0.432 104 K N 0.179 120.642 120.400 0.106 0.000 2.026 104 K HA -0.136 4.200 4.320 0.026 0.000 0.208 104 K C 1.821 178.472 176.600 0.085 0.000 1.048 104 K CA 1.505 57.859 56.287 0.112 0.000 0.929 104 K CB -0.425 32.127 32.500 0.088 0.000 0.713 104 K HN 0.029 nan 8.250 nan 0.000 0.439 105 V N 0.896 120.849 119.914 0.064 0.000 2.343 105 V HA -0.208 3.927 4.120 0.026 0.000 0.247 105 V C 2.500 178.586 176.094 -0.014 0.000 1.051 105 V CA 2.127 64.461 62.300 0.057 0.000 1.036 105 V CB -0.560 31.327 31.823 0.108 0.000 0.654 105 V HN 0.331 nan 8.190 nan 0.000 0.451 106 R N -0.321 120.100 120.500 -0.132 0.000 2.092 106 R HA -0.085 4.270 4.340 0.026 0.000 0.231 106 R C -0.006 176.005 176.300 -0.481 0.000 1.119 106 R CA 1.370 57.216 56.100 -0.424 0.000 0.970 106 R CB -0.091 29.784 30.300 -0.708 0.000 0.864 106 R HN 0.532 nan 8.270 nan 0.000 0.440 107 Y N -0.087 120.241 120.300 0.047 0.000 2.628 107 Y HA 0.397 4.961 4.550 0.023 0.000 0.354 107 Y C 0.484 176.420 175.900 0.061 0.000 1.061 107 Y CA -0.972 57.157 58.100 0.048 0.000 1.251 107 Y CB 0.926 39.415 38.460 0.048 0.000 1.098 107 Y HN -0.116 nan 8.280 nan 0.000 0.626 108 R N 0.135 120.739 120.500 0.173 0.000 2.083 108 R HA -0.136 4.219 4.340 0.026 0.000 0.237 108 R C 0.889 177.267 176.300 0.129 0.000 1.137 108 R CA 1.629 57.806 56.100 0.129 0.000 0.951 108 R CB 0.192 30.547 30.300 0.091 0.000 0.851 108 R HN 0.414 nan 8.270 nan 0.000 0.434 109 E N 0.067 120.342 120.200 0.124 0.000 2.435 109 E HA -0.015 4.351 4.350 0.026 0.000 0.195 109 E C 1.719 178.371 176.600 0.088 0.000 1.029 109 E CA 0.397 56.852 56.400 0.092 0.000 0.865 109 E CB 0.190 29.932 29.700 0.070 0.000 0.833 109 E HN 0.216 nan 8.360 nan 0.000 0.510 110 R N 0.398 120.970 120.500 0.119 0.000 2.223 110 R HA 0.247 4.603 4.340 0.026 0.000 0.198 110 R C 1.394 177.779 176.300 0.143 0.000 0.984 110 R CA 0.230 56.380 56.100 0.083 0.000 1.018 110 R CB 0.278 30.581 30.300 0.005 0.000 0.945 110 R HN 0.230 nan 8.270 nan 0.000 0.479 111 I N -2.665 118.023 120.570 0.197 0.000 2.865 111 I HA 0.488 4.674 4.170 0.026 0.000 0.302 111 I C -1.013 175.231 176.117 0.211 0.000 1.140 111 I CA -0.866 60.584 61.300 0.250 0.000 1.021 111 I CB 2.713 40.925 38.000 0.353 0.000 1.233 111 I HN -0.313 nan 8.210 nan 0.000 0.427 112 T N 5.333 120.026 114.554 0.233 0.000 2.841 112 T HA 0.634 5.000 4.350 0.026 0.000 0.285 112 T C -0.358 174.501 174.700 0.265 0.000 0.991 112 T CA -0.325 61.895 62.100 0.201 0.000 0.966 112 T CB 1.210 70.168 68.868 0.150 0.000 0.962 112 T HN 0.622 nan 8.240 nan 0.000 0.438 113 I N 1.881 122.584 120.570 0.222 0.000 2.390 113 I HA 0.553 4.739 4.170 0.026 0.000 0.283 113 I C -0.295 175.987 176.117 0.275 0.000 1.016 113 I CA -1.003 60.453 61.300 0.259 0.000 1.151 113 I CB 0.593 38.598 38.000 0.008 0.000 1.293 113 I HN 0.352 nan 8.210 nan 0.000 0.458 114 L N 4.494 125.890 121.223 0.289 0.000 2.479 114 L HA 0.485 4.840 4.340 0.026 0.000 0.249 114 L C 0.674 177.621 176.870 0.128 0.000 1.178 114 L CA -0.705 54.236 54.840 0.168 0.000 0.811 114 L CB 0.534 42.645 42.059 0.087 0.000 1.187 114 L HN 0.678 nan 8.230 nan 0.000 0.480 115 R N -0.442 120.074 120.500 0.025 0.000 2.349 115 R HA 0.476 4.832 4.340 0.026 0.000 0.299 115 R C -0.264 175.873 176.300 -0.271 0.000 1.027 115 R CA -0.185 55.860 56.100 -0.091 0.000 0.958 115 R CB 1.350 31.635 30.300 -0.025 0.000 1.047 115 R HN 0.792 nan 8.270 nan 0.000 0.468 116 G N 0.882 109.366 108.800 -0.527 0.000 2.597 116 G HA2 0.065 4.041 3.960 0.026 0.000 0.317 116 G HA3 0.065 4.041 3.960 0.026 0.000 0.317 116 G C 0.265 174.810 174.900 -0.592 0.000 1.230 116 G CA -0.790 43.793 45.100 -0.861 0.000 0.996 116 G HN 0.909 nan 8.290 nan 0.000 0.490 117 N N -1.746 116.574 118.700 -0.633 0.000 2.443 117 N HA -0.175 4.580 4.740 0.026 0.000 0.184 117 N C 1.316 176.692 175.510 -0.223 0.000 1.037 117 N CA 1.156 53.905 53.050 -0.501 0.000 0.896 117 N CB -0.190 37.593 38.487 -1.173 0.000 0.959 117 N HN 0.646 nan 8.380 nan 0.000 0.442 118 H N -0.389 118.420 119.070 -0.436 0.000 2.482 118 H HA 0.081 4.652 4.556 0.026 0.000 0.286 118 H C 0.319 175.436 175.328 -0.353 0.000 1.017 118 H CA 0.392 56.255 56.048 -0.308 0.000 1.322 118 H CB 0.316 29.924 29.762 -0.256 0.000 1.426 118 H HN 0.321 nan 8.280 nan 0.000 0.546 119 E N 1.768 121.706 120.200 -0.437 0.000 2.467 119 E HA 0.032 4.398 4.350 0.026 0.000 0.321 119 E C -0.598 175.901 176.600 -0.169 0.000 1.388 119 E CA -0.279 55.641 56.400 -0.800 0.000 1.508 119 E CB 0.043 29.091 29.700 -1.086 0.000 1.250 119 E HN 0.288 nan 8.360 nan 0.000 0.500 120 S N -1.276 114.458 115.700 0.058 0.000 2.556 120 S HA 0.448 4.934 4.470 0.026 0.000 0.271 120 S C 0.586 175.334 174.600 0.246 0.000 1.135 120 S CA -1.104 57.194 58.200 0.164 0.000 0.858 120 S CB 1.801 65.065 63.200 0.107 0.000 1.114 120 S HN 0.199 nan 8.310 nan 0.000 0.468 121 R N 0.614 121.248 120.500 0.225 0.000 2.105 121 R HA -0.123 4.232 4.340 0.026 0.000 0.239 121 R C 2.334 178.859 176.300 0.375 0.000 1.135 121 R CA 1.832 58.150 56.100 0.363 0.000 0.967 121 R CB -0.320 30.150 30.300 0.283 0.000 0.861 121 R HN 0.780 nan 8.270 nan 0.000 0.442 122 Q N 0.797 120.726 119.800 0.216 0.000 1.975 122 Q HA -0.187 4.169 4.340 0.026 0.000 0.205 122 Q C 2.129 178.183 176.000 0.091 0.000 0.990 122 Q CA 1.717 57.612 55.803 0.153 0.000 0.845 122 Q CB -0.062 28.765 28.738 0.147 0.000 0.913 122 Q HN 0.362 nan 8.270 nan 0.000 0.420 123 I N 0.667 121.243 120.570 0.009 0.000 2.252 123 I HA -0.248 3.938 4.170 0.026 0.000 0.245 123 I C 2.572 178.621 176.117 -0.114 0.000 1.102 123 I CA 1.563 62.705 61.300 -0.264 0.000 1.385 123 I CB -0.506 37.174 38.000 -0.533 0.000 1.064 123 I HN 0.443 nan 8.210 nan 0.000 0.414 124 T N -1.632 113.019 114.554 0.161 0.000 2.759 124 T HA -0.285 4.081 4.350 0.026 0.000 0.269 124 T C 1.773 176.741 174.700 0.447 0.000 1.042 124 T CA 1.309 63.683 62.100 0.456 0.000 1.140 124 T CB -0.461 68.910 68.868 0.838 0.000 0.864 124 T HN 0.376 nan 8.240 nan 0.000 0.455 125 Q N -0.167 119.810 119.800 0.294 0.000 2.167 125 Q HA 0.046 4.402 4.340 0.026 0.000 0.202 125 Q C 2.255 178.251 176.000 -0.007 0.000 0.970 125 Q CA 1.078 56.843 55.803 -0.064 0.000 0.855 125 Q CB -0.008 28.586 28.738 -0.241 0.000 0.911 125 Q HN 0.447 nan 8.270 nan 0.000 0.438 126 V N -1.255 118.716 119.914 0.095 0.000 3.379 126 V HA -0.063 4.072 4.120 0.026 0.000 0.249 126 V C 0.890 177.173 176.094 0.314 0.000 1.184 126 V CA 0.608 62.997 62.300 0.148 0.000 1.106 126 V CB 0.102 32.005 31.823 0.132 0.000 0.826 126 V HN 0.328 nan 8.190 nan 0.000 0.465 127 Y N 0.431 120.772 120.300 0.069 0.000 2.397 127 Y HA 0.397 4.963 4.550 0.026 0.000 0.292 127 Y C 2.025 177.957 175.900 0.054 0.000 1.115 127 Y CA 0.652 58.784 58.100 0.053 0.000 1.208 127 Y CB 0.352 38.825 38.460 0.022 0.000 1.046 127 Y HN 0.286 nan 8.280 nan 0.000 0.552 128 G N -2.662 106.299 108.800 0.267 0.000 3.617 128 G HA2 -0.234 3.741 3.960 0.026 0.000 0.217 128 G HA3 -0.234 3.741 3.960 0.026 0.000 0.217 128 G C 1.075 176.120 174.900 0.242 0.000 0.967 128 G CA 0.100 45.295 45.100 0.158 0.000 0.878 128 G HN 0.138 nan 8.290 nan 0.000 0.439 129 F N 1.483 121.553 119.950 0.200 0.000 2.120 129 F HA -0.007 4.536 4.527 0.027 0.000 0.300 129 F C 2.093 178.070 175.800 0.296 0.000 1.095 129 F CA 1.845 59.997 58.000 0.253 0.000 1.249 129 F CB -0.385 38.818 39.000 0.337 0.000 0.995 129 F HN 0.265 nan 8.300 nan 0.000 0.480 130 Y N 0.885 121.231 120.300 0.076 0.000 2.242 130 Y HA -0.204 4.361 4.550 0.025 0.000 0.291 130 Y C 2.359 178.150 175.900 -0.182 0.000 1.137 130 Y CA 2.103 60.078 58.100 -0.209 0.000 1.181 130 Y CB -0.631 37.525 38.460 -0.507 0.000 0.989 130 Y HN 0.054 nan 8.280 nan 0.000 0.527 131 D N 0.117 120.509 120.400 -0.013 0.000 2.117 131 D HA -0.207 4.448 4.640 0.026 0.000 0.197 131 D C 1.961 178.182 176.300 -0.132 0.000 0.987 131 D CA 1.545 55.495 54.000 -0.084 0.000 0.829 131 D CB -0.141 40.653 40.800 -0.011 0.000 0.961 131 D HN 0.581 nan 8.370 nan 0.000 0.460 132 E N 0.177 120.325 120.200 -0.086 0.000 2.051 132 E HA -0.165 4.201 4.350 0.026 0.000 0.192 132 E C 2.259 178.805 176.600 -0.090 0.000 0.991 132 E CA 0.944 57.303 56.400 -0.068 0.000 0.799 132 E CB 0.070 29.791 29.700 0.036 0.000 0.748 132 E HN 0.209 nan 8.360 nan 0.000 0.449 133 C N 0.418 119.624 119.300 -0.157 0.000 2.403 133 C HA -0.155 4.320 4.460 0.026 0.000 0.279 133 C C 2.627 177.589 174.990 -0.046 0.000 1.269 133 C CA 0.396 59.385 59.018 -0.048 0.000 1.774 133 C CB -0.944 26.647 27.740 -0.248 0.000 1.993 133 C HN 0.454 nan 8.230 nan 0.000 0.496 134 L N 0.414 121.499 121.223 -0.231 0.000 2.044 134 L HA -0.037 4.318 4.340 0.026 0.000 0.205 134 L C 2.808 179.605 176.870 -0.122 0.000 1.075 134 L CA 1.566 56.273 54.840 -0.223 0.000 0.747 134 L CB -0.524 41.349 42.059 -0.309 0.000 0.903 134 L HN 0.247 nan 8.230 nan 0.000 0.435 135 R N -0.590 119.838 120.500 -0.120 0.000 2.148 135 R HA -0.093 4.263 4.340 0.026 0.000 0.223 135 R C 1.799 178.021 176.300 -0.130 0.000 1.088 135 R CA 1.117 57.154 56.100 -0.105 0.000 0.985 135 R CB 0.097 30.339 30.300 -0.096 0.000 0.880 135 R HN 0.267 nan 8.270 nan 0.000 0.451 136 K N -1.360 118.936 120.400 -0.173 0.000 2.352 136 K HA 0.029 4.365 4.320 0.026 0.000 0.194 136 K C 0.446 176.707 176.600 -0.566 0.000 1.038 136 K CA 0.488 56.560 56.287 -0.358 0.000 1.023 136 K CB 0.575 32.820 32.500 -0.424 0.000 0.840 136 K HN 0.208 nan 8.250 nan 0.000 0.519 137 Y N -1.419 118.835 120.300 -0.078 0.000 2.441 137 Y HA 0.197 4.763 4.550 0.026 0.000 0.266 137 Y C 1.564 177.420 175.900 -0.072 0.000 1.093 137 Y CA 0.231 58.290 58.100 -0.068 0.000 1.246 137 Y CB 1.425 39.844 38.460 -0.070 0.000 1.262 137 Y HN 0.150 nan 8.280 nan 0.000 0.518 138 G N 0.726 109.546 108.800 0.034 0.000 2.454 138 G HA2 -0.380 3.596 3.960 0.026 0.000 0.225 138 G HA3 -0.380 3.596 3.960 0.026 0.000 0.225 138 G C 0.421 175.304 174.900 -0.029 0.000 1.138 138 G CA 0.542 45.636 45.100 -0.009 0.000 0.667 138 G HN 0.526 nan 8.290 nan 0.000 0.512 139 N N -0.199 118.491 118.700 -0.015 0.000 2.752 139 N HA 0.759 5.514 4.740 0.026 0.000 0.316 139 N C 0.661 176.090 175.510 -0.136 0.000 1.343 139 N CA 0.527 53.538 53.050 -0.066 0.000 0.875 139 N CB 0.754 39.210 38.487 -0.052 0.000 1.120 139 N HN 1.063 nan 8.380 nan 0.000 0.562 140 A N -1.861 120.858 122.820 -0.169 0.000 2.630 140 A HA 0.294 4.630 4.320 0.026 0.000 0.287 140 A C 0.566 178.059 177.584 -0.152 0.000 1.040 140 A CA -0.502 51.397 52.037 -0.231 0.000 0.971 140 A CB -0.582 18.190 19.000 -0.379 0.000 1.241 140 A HN 0.502 nan 8.150 nan 0.000 0.558 141 N N 0.587 119.123 118.700 -0.273 0.000 2.137 141 N HA -0.153 4.602 4.740 0.026 0.000 0.190 141 N C 1.590 176.515 175.510 -0.975 0.000 1.017 141 N CA 1.710 54.396 53.050 -0.607 0.000 0.859 141 N CB -0.262 37.888 38.487 -0.561 0.000 1.002 141 N HN 0.294 nan 8.380 nan 0.000 0.428 142 V N -0.262 119.300 119.914 -0.588 0.000 2.515 142 V HA -0.178 3.957 4.120 0.026 0.000 0.250 142 V C 1.952 177.974 176.094 -0.120 0.000 1.058 142 V CA 1.113 63.165 62.300 -0.415 0.000 1.064 142 V CB -0.554 30.904 31.823 -0.608 0.000 0.675 142 V HN 0.439 nan 8.190 nan 0.000 0.461 143 W N 1.363 122.498 121.300 -0.275 0.000 2.363 143 W HA -0.208 4.470 4.660 0.029 0.000 0.296 143 W C 2.410 178.909 176.519 -0.033 0.000 1.212 143 W CA 1.979 59.256 57.345 -0.113 0.000 1.260 143 W CB -0.002 29.426 29.460 -0.054 0.000 1.131 143 W HN 0.044 nan 8.180 nan 0.000 0.530 144 K N -0.444 119.878 120.400 -0.131 0.000 2.103 144 K HA -0.134 4.201 4.320 0.026 0.000 0.204 144 K C 1.902 178.320 176.600 -0.304 0.000 1.052 144 K CA 1.883 57.987 56.287 -0.305 0.000 0.945 144 K CB -1.038 31.361 32.500 -0.168 0.000 0.722 144 K HN 0.427 nan 8.250 nan 0.000 0.443 145 Y N -1.507 118.633 120.300 -0.266 0.000 2.293 145 Y HA -0.130 4.435 4.550 0.026 0.000 0.291 145 Y C 1.592 177.194 175.900 -0.497 0.000 1.137 145 Y CA 0.224 58.095 58.100 -0.381 0.000 1.202 145 Y CB -0.037 38.136 38.460 -0.479 0.000 0.990 145 Y HN -0.039 nan 8.280 nan 0.000 0.537 146 F N -0.155 119.643 119.950 -0.254 0.000 2.270 146 F HA -0.126 4.416 4.527 0.024 0.000 0.295 146 F C 2.625 177.726 175.800 -1.164 0.000 1.087 146 F CA 1.445 59.092 58.000 -0.587 0.000 1.365 146 F CB -0.933 37.885 39.000 -0.302 0.000 1.056 146 F HN 0.000 nan 8.300 nan 0.000 0.506 147 T N -3.295 110.862 114.554 -0.661 0.000 2.942 147 T HA -0.101 4.264 4.350 0.026 0.000 0.265 147 T C 1.510 176.054 174.700 -0.260 0.000 1.062 147 T CA 1.238 63.020 62.100 -0.530 0.000 1.139 147 T CB -0.369 68.075 68.868 -0.706 0.000 0.883 147 T HN 0.002 nan 8.240 nan 0.000 0.468 148 D N 1.012 121.277 120.400 -0.226 0.000 2.178 148 D HA 0.018 4.674 4.640 0.026 0.000 0.202 148 D C 1.868 178.212 176.300 0.073 0.000 0.974 148 D CA 0.434 54.409 54.000 -0.041 0.000 0.841 148 D CB -0.308 40.482 40.800 -0.017 0.000 0.953 148 D HN 0.280 nan 8.370 nan 0.000 0.478 149 L N -0.213 120.978 121.223 -0.055 0.000 2.109 149 L HA -0.046 4.310 4.340 0.026 0.000 0.207 149 L C 1.736 178.759 176.870 0.254 0.000 1.086 149 L CA 1.281 56.153 54.840 0.053 0.000 0.760 149 L CB -0.581 41.441 42.059 -0.061 0.000 0.910 149 L HN -0.141 nan 8.230 nan 0.000 0.437 150 F N 0.415 120.472 119.950 0.178 0.000 2.202 150 F HA -0.194 4.347 4.527 0.024 0.000 0.301 150 F C 2.137 178.008 175.800 0.118 0.000 1.082 150 F CA 1.024 59.110 58.000 0.142 0.000 1.313 150 F CB -1.387 37.667 39.000 0.090 0.000 1.024 150 F HN 0.217 nan 8.300 nan 0.000 0.495 151 D N -1.548 119.016 120.400 0.274 0.000 2.311 151 D HA -0.199 4.457 4.640 0.026 0.000 0.212 151 D C 1.742 178.029 176.300 -0.021 0.000 0.972 151 D CA 1.227 55.281 54.000 0.091 0.000 0.887 151 D CB -0.399 40.402 40.800 0.003 0.000 0.915 151 D HN 0.336 nan 8.370 nan 0.000 0.497 152 Y N -0.169 120.199 120.300 0.114 0.000 2.481 152 Y HA 0.244 4.808 4.550 0.022 0.000 0.258 152 Y C 0.846 176.813 175.900 0.113 0.000 1.103 152 Y CA -0.338 57.819 58.100 0.095 0.000 1.287 152 Y CB 0.222 38.727 38.460 0.075 0.000 1.108 152 Y HN -0.167 nan 8.280 nan 0.000 0.529 153 L N 3.189 124.578 121.223 0.276 0.000 2.559 153 L HA 0.009 4.365 4.340 0.026 0.000 0.282 153 L C -2.147 174.814 176.870 0.152 0.000 1.232 153 L CA -1.620 53.352 54.840 0.219 0.000 0.885 153 L CB -0.033 42.162 42.059 0.226 0.000 1.131 153 L HN -0.094 nan 8.230 nan 0.000 0.498 154 P HA 0.076 nan 4.420 nan 0.000 0.272 154 P C 0.388 177.743 177.300 0.091 0.000 1.230 154 P CA -0.230 62.937 63.100 0.111 0.000 0.788 154 P CB 0.696 32.464 31.700 0.114 0.000 0.949 155 L N -0.315 120.957 121.223 0.081 0.000 2.145 155 L HA 0.102 4.457 4.340 0.026 0.000 0.201 155 L C 1.399 178.296 176.870 0.046 0.000 1.075 155 L CA 1.178 56.056 54.840 0.063 0.000 0.773 155 L CB -0.684 41.422 42.059 0.078 0.000 0.936 155 L HN 0.481 nan 8.230 nan 0.000 0.451 156 T N -2.569 112.028 114.554 0.073 0.000 2.888 156 T HA 0.834 5.200 4.350 0.026 0.000 0.288 156 T C -0.765 173.971 174.700 0.059 0.000 1.063 156 T CA -0.454 61.659 62.100 0.021 0.000 1.010 156 T CB 2.638 71.604 68.868 0.163 0.000 1.214 156 T HN 0.097 nan 8.240 nan 0.000 0.533 157 A N 0.379 123.207 122.820 0.013 0.000 2.594 157 A HA 0.772 5.108 4.320 0.026 0.000 0.295 157 A C -1.917 175.743 177.584 0.127 0.000 1.071 157 A CA -0.814 51.269 52.037 0.077 0.000 0.685 157 A CB 1.785 20.813 19.000 0.048 0.000 1.285 157 A HN 1.103 nan 8.150 nan 0.000 0.405 158 L N 1.933 123.251 121.223 0.158 0.000 2.372 158 L HA 0.644 4.999 4.340 0.026 0.000 0.274 158 L C -1.192 175.749 176.870 0.118 0.000 0.988 158 L CA -0.355 54.599 54.840 0.190 0.000 0.833 158 L CB 1.759 43.942 42.059 0.207 0.000 1.236 158 L HN 0.456 nan 8.230 nan 0.000 0.410 159 V N 4.842 124.819 119.914 0.107 0.000 2.385 159 V HA 0.239 4.374 4.120 0.026 0.000 0.269 159 V C 0.218 176.354 176.094 0.070 0.000 1.043 159 V CA -0.317 62.027 62.300 0.072 0.000 0.906 159 V CB 0.605 32.461 31.823 0.055 0.000 0.995 159 V HN 0.913 nan 8.190 nan 0.000 0.467 160 D N 4.465 124.897 120.400 0.053 0.000 2.702 160 D HA -0.190 4.466 4.640 0.026 0.000 0.233 160 D C 1.359 177.688 176.300 0.047 0.000 1.164 160 D CA 1.415 55.441 54.000 0.043 0.000 0.638 160 D CB -0.914 39.907 40.800 0.034 0.000 1.041 160 D HN 1.288 nan 8.370 nan 0.000 0.422 161 G N -0.936 107.898 108.800 0.056 0.000 2.187 161 G HA2 -0.426 3.549 3.960 0.026 0.000 0.261 161 G HA3 -0.426 3.549 3.960 0.026 0.000 0.261 161 G C 0.751 175.682 174.900 0.052 0.000 1.000 161 G CA 1.044 46.172 45.100 0.048 0.000 0.718 161 G HN 0.552 nan 8.290 nan 0.000 0.519 162 Q N -1.554 118.294 119.800 0.080 0.000 2.563 162 Q HA 0.368 4.724 4.340 0.026 0.000 0.236 162 Q C 0.836 176.919 176.000 0.140 0.000 0.792 162 Q CA 0.067 55.925 55.803 0.090 0.000 0.960 162 Q CB 0.941 29.728 28.738 0.082 0.000 1.304 162 Q HN 0.549 nan 8.270 nan 0.000 0.566 163 I N 1.720 122.382 120.570 0.154 0.000 2.339 163 I HA 0.250 4.435 4.170 0.026 0.000 0.290 163 I C -1.026 175.235 176.117 0.241 0.000 0.994 163 I CA -0.755 60.657 61.300 0.187 0.000 1.191 163 I CB 1.021 39.104 38.000 0.139 0.000 1.343 163 I HN 0.013 nan 8.210 nan 0.000 0.458 164 F N 7.285 127.304 119.950 0.115 0.000 2.415 164 F HA 0.529 5.066 4.527 0.016 0.000 0.348 164 F C -0.405 175.457 175.800 0.104 0.000 1.119 164 F CA -0.873 57.202 58.000 0.126 0.000 1.069 164 F CB 0.730 39.847 39.000 0.195 0.000 1.124 164 F HN 0.370 nan 8.300 nan 0.000 0.472 165 C N 7.555 126.542 119.300 -0.521 0.000 2.455 165 C HA 0.886 5.362 4.460 0.026 0.000 0.320 165 C C -0.449 174.209 174.990 -0.554 0.000 1.226 165 C CA -1.034 57.736 59.018 -0.413 0.000 1.569 165 C CB 0.506 28.155 27.740 -0.153 0.000 2.200 165 C HN 0.957 nan 8.230 nan 0.000 0.491 166 L N 0.792 121.791 121.223 -0.373 0.000 2.869 166 L HA 0.431 4.787 4.340 0.026 0.000 0.265 166 L C 0.595 177.396 176.870 -0.115 0.000 1.011 166 L CA -0.689 53.999 54.840 -0.253 0.000 0.913 166 L CB 0.994 42.850 42.059 -0.337 0.000 1.490 166 L HN 0.747 nan 8.230 nan 0.000 0.410 167 H N 0.652 119.623 119.070 -0.165 0.000 2.276 167 H HA 0.011 4.581 4.556 0.024 0.000 0.301 167 H C 1.212 176.455 175.328 -0.141 0.000 1.073 167 H CA 2.499 58.445 56.048 -0.170 0.000 1.311 167 H CB 0.503 30.117 29.762 -0.246 0.000 1.379 167 H HN 0.899 nan 8.280 nan 0.000 0.494 168 G N -1.044 107.622 108.800 -0.224 0.000 2.618 168 G HA2 0.386 4.361 3.960 0.026 0.000 0.222 168 G HA3 0.386 4.361 3.960 0.026 0.000 0.222 168 G C 0.299 175.224 174.900 0.042 0.000 1.520 168 G CA 0.597 45.553 45.100 -0.239 0.000 0.930 168 G HN 0.751 nan 8.290 nan 0.000 0.547 169 G N -1.500 107.365 108.800 0.107 0.000 2.364 169 G HA2 0.394 4.369 3.960 0.026 0.000 0.286 169 G HA3 0.394 4.369 3.960 0.026 0.000 0.286 169 G C -1.204 173.642 174.900 -0.090 0.000 1.241 169 G CA -0.781 44.404 45.100 0.141 0.000 0.887 169 G HN 0.427 nan 8.290 nan 0.000 0.484 170 L N 0.555 121.416 121.223 -0.603 0.000 2.466 170 L HA 0.639 4.995 4.340 0.026 0.000 0.257 170 L C 0.707 177.574 176.870 -0.005 0.000 1.189 170 L CA -0.432 54.102 54.840 -0.510 0.000 0.813 170 L CB 1.401 42.895 42.059 -0.941 0.000 1.118 170 L HN 0.528 nan 8.230 nan 0.000 0.471 171 S N 0.416 116.102 115.700 -0.022 0.000 2.526 171 S HA 0.505 4.990 4.470 0.026 0.000 0.293 171 S C -2.042 172.230 174.600 -0.548 0.000 1.092 171 S CA -1.429 56.617 58.200 -0.258 0.000 0.980 171 S CB 1.902 65.019 63.200 -0.139 0.000 1.048 171 S HN 0.418 nan 8.310 nan 0.000 0.483 172 P HA 0.098 nan 4.420 nan 0.000 0.237 172 P C 0.491 177.492 177.300 -0.499 0.000 1.178 172 P CA 0.446 62.866 63.100 -1.133 0.000 0.766 172 P CB 0.071 30.779 31.700 -1.654 0.000 0.876 173 S N -0.790 114.686 115.700 -0.374 0.000 2.540 173 S HA 0.252 4.738 4.470 0.026 0.000 0.218 173 S C 0.724 175.228 174.600 -0.161 0.000 0.977 173 S CA -0.068 57.993 58.200 -0.230 0.000 0.918 173 S CB 0.068 63.159 63.200 -0.182 0.000 0.806 173 S HN 0.098 nan 8.310 nan 0.000 0.496 174 I N 1.489 122.020 120.570 -0.064 0.000 2.468 174 I HA 0.295 4.480 4.170 0.026 0.000 0.285 174 I C -0.213 176.079 176.117 0.292 0.000 1.039 174 I CA -0.249 61.120 61.300 0.114 0.000 1.074 174 I CB 2.051 40.143 38.000 0.153 0.000 1.228 174 I HN -0.023 nan 8.210 nan 0.000 0.436 175 D N 2.635 123.312 120.400 0.461 0.000 2.431 175 D HA 0.045 4.701 4.640 0.026 0.000 0.235 175 D C 0.820 177.245 176.300 0.208 0.000 0.980 175 D CA 0.881 55.113 54.000 0.386 0.000 0.912 175 D CB 0.801 41.780 40.800 0.298 0.000 1.056 175 D HN 0.579 nan 8.370 nan 0.000 0.494 176 T N -2.135 112.499 114.554 0.133 0.000 2.942 176 T HA 0.420 4.786 4.350 0.026 0.000 0.289 176 T C 1.416 176.016 174.700 -0.167 0.000 1.044 176 T CA -0.733 61.218 62.100 -0.249 0.000 1.023 176 T CB 1.875 70.466 68.868 -0.463 0.000 1.123 176 T HN -0.185 nan 8.240 nan 0.000 0.512 177 L N 0.386 121.471 121.223 -0.229 0.000 2.079 177 L HA -0.058 4.298 4.340 0.026 0.000 0.210 177 L C 2.239 179.069 176.870 -0.068 0.000 1.081 177 L CA 1.347 56.114 54.840 -0.121 0.000 0.752 177 L CB -0.567 41.407 42.059 -0.141 0.000 0.896 177 L HN 0.692 nan 8.230 nan 0.000 0.433 178 D N -1.036 119.271 120.400 -0.156 0.000 2.182 178 D HA -0.182 4.473 4.640 0.026 0.000 0.201 178 D C 2.121 178.392 176.300 -0.048 0.000 0.986 178 D CA 1.060 54.986 54.000 -0.124 0.000 0.847 178 D CB -0.174 40.514 40.800 -0.186 0.000 0.942 178 D HN 0.361 nan 8.370 nan 0.000 0.467 179 H N 0.168 119.248 119.070 0.017 0.000 2.352 179 H HA -0.038 4.535 4.556 0.029 0.000 0.299 179 H C 2.427 177.783 175.328 0.046 0.000 1.097 179 H CA 0.644 56.709 56.048 0.030 0.000 1.311 179 H CB -0.447 29.337 29.762 0.036 0.000 1.377 179 H HN 0.252 nan 8.280 nan 0.000 0.504 180 I N 0.477 121.153 120.570 0.177 0.000 2.252 180 I HA -0.218 3.968 4.170 0.026 0.000 0.245 180 I C 2.638 178.823 176.117 0.113 0.000 1.102 180 I CA 0.981 62.372 61.300 0.152 0.000 1.385 180 I CB -0.189 37.925 38.000 0.190 0.000 1.064 180 I HN 0.086 nan 8.210 nan 0.000 0.414 181 R N 0.797 121.349 120.500 0.088 0.000 2.096 181 R HA -0.122 4.234 4.340 0.026 0.000 0.235 181 R C 2.380 178.717 176.300 0.061 0.000 1.127 181 R CA 1.441 57.581 56.100 0.067 0.000 0.968 181 R CB -0.458 29.867 30.300 0.042 0.000 0.861 181 R HN 0.367 nan 8.270 nan 0.000 0.440 182 A N 1.250 124.112 122.820 0.069 0.000 2.067 182 A HA -0.008 4.328 4.320 0.026 0.000 0.219 182 A C 1.053 178.670 177.584 0.055 0.000 1.158 182 A CA 0.479 52.554 52.037 0.064 0.000 0.661 182 A CB -0.335 18.716 19.000 0.085 0.000 0.801 182 A HN 0.113 nan 8.150 nan 0.000 0.452 183 L N 0.321 121.580 121.223 0.061 0.000 2.483 183 L HA 0.073 4.428 4.340 0.026 0.000 0.275 183 L C 0.068 176.956 176.870 0.030 0.000 1.220 183 L CA -0.292 54.576 54.840 0.046 0.000 0.833 183 L CB 0.185 42.277 42.059 0.056 0.000 1.102 183 L HN 0.176 nan 8.230 nan 0.000 0.490 184 D N 1.235 121.645 120.400 0.016 0.000 2.428 184 D HA 0.118 4.774 4.640 0.026 0.000 0.221 184 D C 0.934 177.228 176.300 -0.010 0.000 1.123 184 D CA -0.455 53.544 54.000 -0.002 0.000 0.869 184 D CB 0.758 41.553 40.800 -0.008 0.000 1.032 184 D HN 0.444 nan 8.370 nan 0.000 0.506 185 R N 3.270 123.760 120.500 -0.016 0.000 2.297 185 R HA 0.133 4.489 4.340 0.026 0.000 0.197 185 R C 0.325 176.582 176.300 -0.071 0.000 0.943 185 R CA 0.076 56.164 56.100 -0.019 0.000 1.038 185 R CB -0.118 30.186 30.300 0.006 0.000 0.957 185 R HN 0.320 nan 8.270 nan 0.000 0.484 186 L N 3.701 124.847 121.223 -0.129 0.000 2.437 186 L HA 0.167 4.523 4.340 0.026 0.000 0.243 186 L C -0.221 176.557 176.870 -0.155 0.000 1.346 186 L CA -0.058 54.633 54.840 -0.248 0.000 1.233 186 L CB -0.599 41.249 42.059 -0.352 0.000 1.436 186 L HN 0.400 nan 8.230 nan 0.000 0.416 187 Q N -0.761 118.985 119.800 -0.090 0.000 2.804 187 Q HA 0.342 4.698 4.340 0.026 0.000 0.302 187 Q C -1.104 174.893 176.000 -0.006 0.000 0.885 187 Q CA -1.105 54.674 55.803 -0.041 0.000 0.759 187 Q CB 1.270 29.989 28.738 -0.030 0.000 1.465 187 Q HN 0.072 nan 8.270 nan 0.000 0.432 188 E N 0.616 120.817 120.200 0.003 0.000 2.384 188 E HA 0.202 4.568 4.350 0.026 0.000 0.266 188 E C -0.719 175.879 176.600 -0.003 0.000 1.012 188 E CA -0.203 56.206 56.400 0.015 0.000 0.901 188 E CB 0.953 30.660 29.700 0.011 0.000 0.967 188 E HN 0.428 nan 8.360 nan 0.000 0.435 189 V N 7.445 127.373 119.914 0.022 0.000 2.506 189 V HA 0.027 4.163 4.120 0.026 0.000 0.296 189 V C -1.774 174.286 176.094 -0.056 0.000 1.004 189 V CA -0.727 61.594 62.300 0.034 0.000 1.150 189 V CB -0.413 31.485 31.823 0.124 0.000 0.911 189 V HN 0.796 nan 8.190 nan 0.000 0.476 190 P HA 0.137 nan 4.420 nan 0.000 0.271 190 P C 0.741 177.946 177.300 -0.159 0.000 1.233 190 P CA -0.194 62.829 63.100 -0.128 0.000 0.789 190 P CB 0.466 32.146 31.700 -0.034 0.000 0.951 191 H N -0.575 118.476 119.070 -0.033 0.000 2.482 191 H HA 0.141 4.713 4.556 0.027 0.000 0.286 191 H C 0.208 175.468 175.328 -0.113 0.000 1.017 191 H CA 1.068 57.051 56.048 -0.107 0.000 1.322 191 H CB 0.374 30.076 29.762 -0.100 0.000 1.426 191 H HN 0.509 nan 8.280 nan 0.000 0.546 192 E N -0.975 119.255 120.200 0.051 0.000 2.299 192 E HA 0.506 4.872 4.350 0.026 0.000 0.265 192 E C 0.147 176.772 176.600 0.042 0.000 0.911 192 E CA -0.138 56.281 56.400 0.032 0.000 0.789 192 E CB 2.785 32.503 29.700 0.031 0.000 1.246 192 E HN 0.338 nan 8.360 nan 0.000 0.427 193 G N 1.236 110.075 108.800 0.065 0.000 2.710 193 G HA2 -0.175 3.800 3.960 0.026 0.000 0.668 193 G HA3 -0.175 3.800 3.960 0.026 0.000 0.668 193 G C -1.973 172.961 174.900 0.055 0.000 1.320 193 G CA -0.531 44.597 45.100 0.047 0.000 0.860 193 G HN 0.449 nan 8.290 nan 0.000 0.538 194 P HA -0.247 nan 4.420 nan 0.000 0.216 194 P C 2.036 179.374 177.300 0.064 0.000 1.157 194 P CA 2.554 65.666 63.100 0.021 0.000 0.880 194 P CB -0.043 31.662 31.700 0.007 0.000 0.791 195 M N -0.730 118.911 119.600 0.067 0.000 2.099 195 M HA -0.137 4.358 4.480 0.026 0.000 0.262 195 M C 2.499 178.874 176.300 0.125 0.000 1.067 195 M CA 1.909 57.259 55.300 0.083 0.000 1.124 195 M CB -0.834 31.803 32.600 0.061 0.000 1.353 195 M HN -0.003 nan 8.290 nan 0.000 0.410 196 C N 1.408 120.792 119.300 0.140 0.000 2.398 196 C HA -0.209 4.267 4.460 0.026 0.000 0.276 196 C C 2.144 177.318 174.990 0.307 0.000 1.222 196 C CA 1.966 61.123 59.018 0.233 0.000 1.746 196 C CB -1.292 26.519 27.740 0.119 0.000 2.039 196 C HN 0.628 nan 8.230 nan 0.000 0.470 197 D N 0.756 121.292 120.400 0.226 0.000 2.123 197 D HA -0.115 4.540 4.640 0.026 0.000 0.196 197 D C 2.056 178.484 176.300 0.214 0.000 0.992 197 D CA 1.434 55.591 54.000 0.262 0.000 0.833 197 D CB -0.629 40.297 40.800 0.210 0.000 0.954 197 D HN 0.553 nan 8.370 nan 0.000 0.455 198 L N 0.042 121.351 121.223 0.144 0.000 2.265 198 L HA -0.096 4.260 4.340 0.026 0.000 0.215 198 L C 2.182 179.080 176.870 0.046 0.000 1.117 198 L CA 0.614 55.509 54.840 0.092 0.000 0.782 198 L CB -0.149 41.965 42.059 0.093 0.000 0.914 198 L HN 0.043 nan 8.230 nan 0.000 0.441 199 L N -3.337 117.925 121.223 0.065 0.000 2.590 199 L HA 0.027 4.382 4.340 0.026 0.000 0.227 199 L C 1.473 178.128 176.870 -0.358 0.000 1.099 199 L CA 0.333 55.123 54.840 -0.083 0.000 0.872 199 L CB 0.056 42.074 42.059 -0.070 0.000 1.088 199 L HN 0.336 nan 8.230 nan 0.000 0.479 200 W N -0.923 120.288 121.300 -0.149 0.000 2.835 200 W HA 0.197 4.873 4.660 0.026 0.000 0.278 200 W C 1.299 177.856 176.519 0.064 0.000 1.075 200 W CA -0.165 57.109 57.345 -0.118 0.000 1.439 200 W CB 0.543 30.041 29.460 0.064 0.000 0.927 200 W HN -0.218 nan 8.180 nan 0.000 0.604 201 S N 1.526 117.436 115.700 0.350 0.000 2.576 201 S HA 0.089 4.575 4.470 0.026 0.000 0.272 201 S C -0.298 174.568 174.600 0.443 0.000 1.352 201 S CA 0.146 58.624 58.200 0.464 0.000 1.021 201 S CB 0.387 63.929 63.200 0.570 0.000 0.887 201 S HN -0.024 nan 8.310 nan 0.000 0.542 202 D N 2.029 122.640 120.400 0.352 0.000 2.619 202 D HA 0.396 5.051 4.640 0.026 0.000 0.241 202 D C -2.579 173.408 176.300 -0.521 0.000 1.087 202 D CA -1.433 52.603 54.000 0.059 0.000 0.851 202 D CB 1.926 42.750 40.800 0.041 0.000 1.474 202 D HN 0.200 nan 8.370 nan 0.000 0.478 203 P HA 0.202 nan 4.420 nan 0.000 0.272 203 P C -0.841 176.138 177.300 -0.533 0.000 1.230 203 P CA -0.035 62.347 63.100 -1.197 0.000 0.788 203 P CB 1.239 32.379 31.700 -0.932 0.000 0.949 204 D N -0.796 119.460 120.400 -0.239 0.000 2.655 204 D HA 0.124 4.780 4.640 0.026 0.000 0.229 204 D C -0.018 176.342 176.300 0.099 0.000 1.229 204 D CA -0.471 53.492 54.000 -0.061 0.000 0.807 204 D CB 1.193 41.941 40.800 -0.087 0.000 1.514 204 D HN 0.276 nan 8.370 nan 0.000 0.444 205 D N 1.296 121.711 120.400 0.024 0.000 2.349 205 D HA 0.051 4.706 4.640 0.026 0.000 0.214 205 D C -0.240 176.049 176.300 -0.017 0.000 1.063 205 D CA -0.111 53.898 54.000 0.016 0.000 0.847 205 D CB 0.333 41.134 40.800 0.003 0.000 0.933 205 D HN 0.133 nan 8.370 nan 0.000 0.513 206 R N 1.004 121.491 120.500 -0.021 0.000 2.320 206 R HA 0.514 4.869 4.340 0.026 0.000 0.319 206 R C 0.654 176.925 176.300 -0.047 0.000 0.969 206 R CA -0.508 55.576 56.100 -0.026 0.000 0.857 206 R CB 1.489 31.787 30.300 -0.003 0.000 1.160 206 R HN -0.031 nan 8.270 nan 0.000 0.491 207 G N 1.543 110.297 108.800 -0.077 0.000 2.614 207 G HA2 0.265 4.241 3.960 0.026 0.000 0.229 207 G HA3 0.265 4.241 3.960 0.026 0.000 0.229 207 G C 0.573 175.418 174.900 -0.091 0.000 1.232 207 G CA 0.520 45.554 45.100 -0.110 0.000 0.857 207 G HN 0.835 nan 8.290 nan 0.000 0.560 208 G N 0.618 109.319 108.800 -0.164 0.000 2.660 208 G HA2 -0.121 3.855 3.960 0.026 0.000 0.215 208 G HA3 -0.121 3.855 3.960 0.026 0.000 0.215 208 G C -0.239 174.545 174.900 -0.193 0.000 1.345 208 G CA -0.098 44.894 45.100 -0.180 0.000 0.877 208 G HN 0.975 nan 8.290 nan 0.000 0.549 209 W N 0.131 121.500 121.300 0.114 0.000 2.438 209 W HA 0.598 5.273 4.660 0.023 0.000 0.324 209 W C 0.704 177.330 176.519 0.178 0.000 1.119 209 W CA 0.289 57.735 57.345 0.168 0.000 1.221 209 W CB 2.065 31.600 29.460 0.124 0.000 1.253 209 W HN 0.986 nan 8.180 nan 0.000 0.555 210 G N 2.007 111.106 108.800 0.498 0.000 2.620 210 G HA2 0.628 4.604 3.960 0.026 0.000 0.301 210 G HA3 0.628 4.604 3.960 0.026 0.000 0.301 210 G C -1.205 173.865 174.900 0.283 0.000 1.347 210 G CA -1.208 44.080 45.100 0.312 0.000 0.971 210 G HN 0.476 nan 8.290 nan 0.000 0.488 211 I N 1.322 121.978 120.570 0.144 0.000 2.741 211 I HA 0.061 4.247 4.170 0.026 0.000 0.288 211 I C 1.203 177.320 176.117 -0.001 0.000 1.192 211 I CA 0.174 61.474 61.300 -0.001 0.000 1.426 211 I CB 1.035 39.028 38.000 -0.013 0.000 1.367 211 I HN 0.345 nan 8.210 nan 0.000 0.563 212 S N 8.511 124.172 115.700 -0.066 0.000 2.465 212 S HA 0.224 4.709 4.470 0.026 0.000 0.280 212 S C -0.919 173.682 174.600 0.001 0.000 1.232 212 S CA -1.318 56.887 58.200 0.009 0.000 1.066 212 S CB 0.557 63.775 63.200 0.030 0.000 0.929 212 S HN 0.491 nan 8.310 nan 0.000 0.494 213 P HA -0.043 nan 4.420 nan 0.000 0.231 213 P C 1.036 178.356 177.300 0.033 0.000 1.158 213 P CA 0.501 63.612 63.100 0.018 0.000 0.763 213 P CB 0.101 31.813 31.700 0.019 0.000 0.805 214 R N -0.611 119.931 120.500 0.071 0.000 2.189 214 R HA 0.047 4.403 4.340 0.026 0.000 0.218 214 R C 1.583 177.917 176.300 0.056 0.000 1.074 214 R CA 1.201 57.382 56.100 0.134 0.000 0.991 214 R CB -0.283 30.191 30.300 0.291 0.000 0.883 214 R HN 0.282 nan 8.270 nan 0.000 0.457 215 G N -1.397 107.377 108.800 -0.045 0.000 2.339 215 G HA2 -0.199 3.776 3.960 0.026 0.000 0.209 215 G HA3 -0.199 3.776 3.960 0.026 0.000 0.209 215 G C -0.158 174.579 174.900 -0.272 0.000 1.015 215 G CA -0.125 44.884 45.100 -0.151 0.000 0.635 215 G HN 0.582 nan 8.290 nan 0.000 0.499 216 A N -0.565 122.046 122.820 -0.348 0.000 2.539 216 A HA 1.058 5.393 4.320 0.026 0.000 0.296 216 A C 1.049 178.544 177.584 -0.149 0.000 1.073 216 A CA 1.157 52.930 52.037 -0.440 0.000 0.700 216 A CB 1.140 19.527 19.000 -1.022 0.000 1.296 216 A HN 2.388 nan 8.150 nan 0.000 0.405 217 G N -0.487 108.248 108.800 -0.109 0.000 2.568 217 G HA2 0.126 4.102 3.960 0.026 0.000 0.222 217 G HA3 0.126 4.102 3.960 0.026 0.000 0.222 217 G C -0.926 173.932 174.900 -0.071 0.000 1.321 217 G CA 0.099 45.274 45.100 0.125 0.000 0.893 217 G HN 1.624 nan 8.290 nan 0.000 0.569 218 Y N -0.188 120.271 120.300 0.265 0.000 2.504 218 Y HA 0.599 5.165 4.550 0.026 0.000 0.344 218 Y C 0.862 177.018 175.900 0.425 0.000 1.023 218 Y CA -0.028 58.270 58.100 0.330 0.000 1.020 218 Y CB 2.211 40.900 38.460 0.381 0.000 1.282 218 Y HN 0.999 nan 8.280 nan 0.000 0.454 219 T N 0.517 115.349 114.554 0.464 0.000 2.897 219 T HA 0.636 5.001 4.350 0.026 0.000 0.294 219 T C -0.758 174.200 174.700 0.430 0.000 1.004 219 T CA -0.375 61.908 62.100 0.304 0.000 1.106 219 T CB 0.004 68.956 68.868 0.140 0.000 0.949 219 T HN 0.450 nan 8.240 nan 0.000 0.520 220 F N -0.139 119.917 119.950 0.176 0.000 2.565 220 F HA 0.834 5.378 4.527 0.028 0.000 0.313 220 F C 0.090 175.872 175.800 -0.030 0.000 1.091 220 F CA -1.367 56.572 58.000 -0.102 0.000 0.915 220 F CB 1.049 39.865 39.000 -0.307 0.000 1.208 220 F HN 0.878 nan 8.300 nan 0.000 0.453 221 G N 1.069 109.818 108.800 -0.085 0.000 2.531 221 G HA2 0.285 4.260 3.960 0.026 0.000 0.313 221 G HA3 0.285 4.260 3.960 0.026 0.000 0.313 221 G C 0.072 174.686 174.900 -0.477 0.000 1.238 221 G CA -0.571 44.391 45.100 -0.231 0.000 0.994 221 G HN 0.963 nan 8.290 nan 0.000 0.493 222 Q N -0.637 118.664 119.800 -0.832 0.000 2.084 222 Q HA -0.177 4.178 4.340 0.026 0.000 0.202 222 Q C 2.026 177.876 176.000 -0.250 0.000 0.978 222 Q CA 2.300 57.665 55.803 -0.729 0.000 0.844 222 Q CB -0.158 28.297 28.738 -0.471 0.000 0.898 222 Q HN 0.681 nan 8.270 nan 0.000 0.426 223 D N 0.262 120.542 120.400 -0.199 0.000 2.190 223 D HA -0.222 4.434 4.640 0.026 0.000 0.200 223 D C 1.673 177.920 176.300 -0.088 0.000 0.992 223 D CA 1.325 55.257 54.000 -0.114 0.000 0.854 223 D CB -0.477 40.258 40.800 -0.109 0.000 0.936 223 D HN 0.470 nan 8.370 nan 0.000 0.462 224 I N 0.366 120.851 120.570 -0.141 0.000 2.333 224 I HA -0.182 4.003 4.170 0.026 0.000 0.246 224 I C 2.362 178.495 176.117 0.027 0.000 1.106 224 I CA 0.713 61.930 61.300 -0.139 0.000 1.411 224 I CB -0.117 37.601 38.000 -0.471 0.000 1.082 224 I HN -0.087 nan 8.210 nan 0.000 0.420 225 S N 0.527 116.295 115.700 0.114 0.000 2.365 225 S HA -0.259 4.226 4.470 0.026 0.000 0.225 225 S C 1.870 176.601 174.600 0.218 0.000 1.039 225 S CA 1.665 60.009 58.200 0.240 0.000 1.033 225 S CB -0.391 63.051 63.200 0.403 0.000 0.887 225 S HN 0.464 nan 8.310 nan 0.000 0.447 226 E N 0.316 120.596 120.200 0.134 0.000 2.072 226 E HA -0.095 4.270 4.350 0.026 0.000 0.191 226 E C 2.257 178.934 176.600 0.128 0.000 0.985 226 E CA 1.422 57.890 56.400 0.113 0.000 0.801 226 E CB -0.302 29.425 29.700 0.045 0.000 0.750 226 E HN 0.407 nan 8.360 nan 0.000 0.452 227 T N 0.969 115.591 114.554 0.113 0.000 2.674 227 T HA -0.174 4.192 4.350 0.026 0.000 0.265 227 T C 1.505 176.300 174.700 0.158 0.000 1.039 227 T CA 1.173 63.348 62.100 0.126 0.000 1.150 227 T CB -0.403 68.526 68.868 0.102 0.000 0.864 227 T HN 0.153 nan 8.240 nan 0.000 0.427 228 F N 2.702 122.676 119.950 0.039 0.000 2.075 228 F HA -0.141 4.401 4.527 0.024 0.000 0.297 228 F C 2.222 178.024 175.800 0.003 0.000 1.113 228 F CA 1.232 59.239 58.000 0.011 0.000 1.218 228 F CB -0.404 38.589 39.000 -0.013 0.000 0.984 228 F HN 0.038 nan 8.300 nan 0.000 0.472 229 N N -0.332 118.472 118.700 0.173 0.000 2.069 229 N HA -0.267 4.489 4.740 0.026 0.000 0.191 229 N C 2.113 177.619 175.510 -0.006 0.000 1.031 229 N CA 1.733 54.832 53.050 0.081 0.000 0.852 229 N CB -1.120 37.482 38.487 0.191 0.000 1.018 229 N HN 0.507 nan 8.380 nan 0.000 0.423 230 H N 0.473 119.526 119.070 -0.029 0.000 2.387 230 H HA 0.008 4.582 4.556 0.029 0.000 0.299 230 H C 1.604 176.880 175.328 -0.087 0.000 1.090 230 H CA 1.519 57.544 56.048 -0.039 0.000 1.332 230 H CB 0.212 29.967 29.762 -0.012 0.000 1.386 230 H HN 0.206 nan 8.280 nan 0.000 0.516 231 A N 0.735 123.440 122.820 -0.191 0.000 1.968 231 A HA -0.098 4.238 4.320 0.026 0.000 0.217 231 A C 1.924 179.312 177.584 -0.327 0.000 1.169 231 A CA 1.131 53.013 52.037 -0.258 0.000 0.638 231 A CB -0.119 18.780 19.000 -0.168 0.000 0.812 231 A HN 0.507 nan 8.150 nan 0.000 0.446 232 N N -0.587 117.873 118.700 -0.400 0.000 2.270 232 N HA 0.141 4.896 4.740 0.026 0.000 0.198 232 N C 0.906 176.260 175.510 -0.259 0.000 1.117 232 N CA 0.748 53.561 53.050 -0.395 0.000 0.845 232 N CB 0.469 38.579 38.487 -0.629 0.000 0.980 232 N HN 0.549 nan 8.380 nan 0.000 0.486 233 G N 1.519 110.184 108.800 -0.226 0.000 2.249 233 G HA2 -0.279 3.696 3.960 0.026 0.000 0.273 233 G HA3 -0.279 3.696 3.960 0.026 0.000 0.273 233 G C -0.059 174.802 174.900 -0.065 0.000 1.036 233 G CA 0.213 45.228 45.100 -0.141 0.000 0.824 233 G HN 0.270 nan 8.290 nan 0.000 0.504 234 L N -0.232 120.960 121.223 -0.051 0.000 2.357 234 L HA 0.560 4.915 4.340 0.026 0.000 0.273 234 L C 1.925 178.852 176.870 0.095 0.000 1.080 234 L CA -0.057 54.806 54.840 0.037 0.000 0.803 234 L CB 1.488 43.584 42.059 0.062 0.000 1.174 234 L HN 0.339 nan 8.230 nan 0.000 0.443 235 T N -0.216 114.414 114.554 0.128 0.000 3.040 235 T HA 0.218 4.584 4.350 0.026 0.000 0.252 235 T C 0.054 174.873 174.700 0.198 0.000 1.064 235 T CA 0.129 62.319 62.100 0.149 0.000 1.110 235 T CB 0.321 69.273 68.868 0.140 0.000 0.921 235 T HN 0.249 nan 8.240 nan 0.000 0.480 236 L N 1.061 122.420 121.223 0.226 0.000 2.472 236 L HA 0.697 5.052 4.340 0.026 0.000 0.260 236 L C -1.690 175.355 176.870 0.292 0.000 0.963 236 L CA -1.067 53.931 54.840 0.264 0.000 0.829 236 L CB 2.473 44.691 42.059 0.265 0.000 1.348 236 L HN -0.042 nan 8.230 nan 0.000 0.408 237 V N 3.137 123.230 119.914 0.299 0.000 2.347 237 V HA 0.626 4.761 4.120 0.026 0.000 0.280 237 V C -0.050 176.140 176.094 0.160 0.000 1.021 237 V CA -0.320 62.158 62.300 0.297 0.000 0.847 237 V CB 1.331 33.361 31.823 0.344 0.000 0.990 237 V HN 0.804 nan 8.190 nan 0.000 0.444 238 S N 6.054 121.797 115.700 0.071 0.000 2.449 238 S HA 0.894 5.380 4.470 0.026 0.000 0.310 238 S C -0.435 174.130 174.600 -0.058 0.000 1.096 238 S CA -0.756 57.443 58.200 -0.001 0.000 1.095 238 S CB 0.767 63.961 63.200 -0.011 0.000 1.007 238 S HN 0.917 nan 8.310 nan 0.000 0.474 239 R N 2.568 123.037 120.500 -0.052 0.000 2.766 239 R HA 0.936 5.291 4.340 0.026 0.000 0.270 239 R C -0.415 175.838 176.300 -0.078 0.000 1.035 239 R CA -0.592 55.463 56.100 -0.075 0.000 0.911 239 R CB 0.395 30.668 30.300 -0.045 0.000 1.243 239 R HN 0.606 nan 8.270 nan 0.000 0.460 240 A N -0.872 121.864 122.820 -0.139 0.000 3.671 240 A HA 0.608 4.943 4.320 0.026 0.000 0.178 240 A C 0.165 177.640 177.584 -0.181 0.000 0.921 240 A CA 0.687 52.650 52.037 -0.123 0.000 1.117 240 A CB -0.565 18.385 19.000 -0.083 0.000 1.632 240 A HN 1.165 nan 8.150 nan 0.000 0.722 241 H N -1.713 117.087 119.070 -0.451 0.000 4.737 241 H HA -0.165 4.407 4.556 0.027 0.000 0.093 241 H C 0.271 175.509 175.328 -0.149 0.000 0.595 241 H CA 2.165 57.921 56.048 -0.486 0.000 1.158 241 H CB -1.014 28.313 29.762 -0.725 0.000 0.523 241 H HN 0.581 nan 8.280 nan 0.000 0.687 242 Q N 0.752 120.431 119.800 -0.202 0.000 2.322 242 Q HA 0.442 4.798 4.340 0.026 0.000 0.265 242 Q C -0.492 175.184 176.000 -0.539 0.000 0.985 242 Q CA -0.495 55.104 55.803 -0.339 0.000 0.849 242 Q CB 1.949 30.533 28.738 -0.257 0.000 1.274 242 Q HN 0.399 nan 8.270 nan 0.000 0.449 243 L N 4.509 125.197 121.223 -0.891 0.000 2.513 243 L HA 0.213 4.569 4.340 0.026 0.000 0.272 243 L C -0.906 175.544 176.870 -0.700 0.000 1.187 243 L CA -0.298 53.692 54.840 -1.418 0.000 0.895 243 L CB 0.355 41.749 42.059 -1.109 0.000 1.147 243 L HN 0.418 nan 8.230 nan 0.000 0.483 244 V N 3.297 122.881 119.914 -0.550 0.000 2.531 244 V HA 0.305 4.440 4.120 0.026 0.000 0.301 244 V C 0.678 176.652 176.094 -0.199 0.000 1.034 244 V CA -0.868 61.259 62.300 -0.289 0.000 0.865 244 V CB 1.557 33.249 31.823 -0.219 0.000 0.995 244 V HN 0.938 nan 8.190 nan 0.000 0.424 245 M N 2.277 121.774 119.600 -0.172 0.000 2.539 245 M HA 0.042 4.537 4.480 0.026 0.000 0.261 245 M C 1.396 177.639 176.300 -0.095 0.000 1.069 245 M CA 1.455 56.685 55.300 -0.117 0.000 1.081 245 M CB -0.475 32.062 32.600 -0.105 0.000 1.412 245 M HN 0.824 nan 8.290 nan 0.000 0.482 246 E N -2.097 118.025 120.200 -0.129 0.000 2.498 246 E HA 0.308 4.674 4.350 0.026 0.000 0.203 246 E C 1.565 178.124 176.600 -0.069 0.000 1.013 246 E CA 0.673 56.994 56.400 -0.133 0.000 0.927 246 E CB 0.272 29.814 29.700 -0.264 0.000 1.012 246 E HN 0.516 nan 8.360 nan 0.000 0.482 247 G N 1.881 110.660 108.800 -0.033 0.000 2.417 247 G HA2 -0.321 3.655 3.960 0.026 0.000 0.233 247 G HA3 -0.321 3.655 3.960 0.026 0.000 0.233 247 G C 0.118 175.084 174.900 0.111 0.000 1.103 247 G CA 0.695 45.825 45.100 0.050 0.000 0.647 247 G HN 0.354 nan 8.290 nan 0.000 0.512 248 Y N 0.328 120.526 120.300 -0.169 0.000 2.588 248 Y HA 0.809 5.375 4.550 0.027 0.000 0.343 248 Y C -0.966 174.706 175.900 -0.379 0.000 1.065 248 Y CA -1.625 56.290 58.100 -0.308 0.000 1.038 248 Y CB 1.254 39.417 38.460 -0.495 0.000 1.297 248 Y HN 0.402 nan 8.280 nan 0.000 0.467 249 N N 1.233 119.641 118.700 -0.487 0.000 2.452 249 N HA 0.351 5.106 4.740 0.026 0.000 0.277 249 N C -2.402 172.877 175.510 -0.385 0.000 1.078 249 N CA -0.513 52.261 53.050 -0.459 0.000 0.947 249 N CB 1.423 39.738 38.487 -0.288 0.000 1.655 249 N HN 0.753 nan 8.380 nan 0.000 0.490 250 W N 3.124 124.305 121.300 -0.198 0.000 2.376 250 W HA 0.597 5.271 4.660 0.024 0.000 0.322 250 W C 0.528 176.987 176.519 -0.100 0.000 1.160 250 W CA -0.338 56.941 57.345 -0.110 0.000 1.218 250 W CB 0.922 30.331 29.460 -0.085 0.000 1.205 250 W HN 0.655 nan 8.180 nan 0.000 0.559 251 C N -1.016 118.405 119.300 0.202 0.000 3.336 251 C HA 0.503 4.979 4.460 0.026 0.000 0.339 251 C C 0.076 175.191 174.990 0.208 0.000 1.468 251 C CA -0.838 58.241 59.018 0.102 0.000 1.287 251 C CB 1.197 28.884 27.740 -0.087 0.000 1.682 251 C HN 1.003 nan 8.230 nan 0.000 0.451 252 H N 0.438 119.546 119.070 0.062 0.000 2.741 252 H HA -0.170 4.401 4.556 0.025 0.000 0.305 252 H C 0.242 175.616 175.328 0.078 0.000 1.169 252 H CA 1.159 57.247 56.048 0.066 0.000 1.144 252 H CB -0.962 28.858 29.762 0.097 0.000 1.397 252 H HN 1.139 nan 8.280 nan 0.000 0.409 253 D N 0.248 120.746 120.400 0.163 0.000 2.699 253 D HA -0.241 4.414 4.640 0.026 0.000 0.239 253 D C 0.265 176.607 176.300 0.071 0.000 1.136 253 D CA 1.552 55.597 54.000 0.076 0.000 0.668 253 D CB -0.676 40.150 40.800 0.044 0.000 1.060 253 D HN 0.761 nan 8.370 nan 0.000 0.429 254 R N -1.705 118.874 120.500 0.132 0.000 3.878 254 R HA -0.241 4.114 4.340 0.026 0.000 0.330 254 R C 0.653 177.119 176.300 0.277 0.000 1.186 254 R CA 0.998 57.190 56.100 0.154 0.000 0.885 254 R CB -2.186 27.905 30.300 -0.348 0.000 1.377 254 R HN 0.454 nan 8.270 nan 0.000 0.523 255 N N 0.398 119.268 118.700 0.283 0.000 2.415 255 N HA 0.021 4.777 4.740 0.026 0.000 0.176 255 N C 0.407 176.110 175.510 0.321 0.000 1.042 255 N CA 0.884 54.107 53.050 0.289 0.000 0.902 255 N CB 0.567 39.218 38.487 0.274 0.000 0.986 255 N HN -0.028 nan 8.380 nan 0.000 0.447 256 V N 0.999 121.100 119.914 0.312 0.000 2.735 256 V HA 0.410 4.546 4.120 0.026 0.000 0.310 256 V C -0.414 175.772 176.094 0.152 0.000 1.061 256 V CA -0.810 61.613 62.300 0.205 0.000 0.913 256 V CB 2.718 34.590 31.823 0.082 0.000 1.005 256 V HN -0.264 nan 8.190 nan 0.000 0.428 257 V N 3.454 123.362 119.914 -0.010 0.000 2.735 257 V HA 0.692 4.828 4.120 0.026 0.000 0.310 257 V C -0.194 175.802 176.094 -0.165 0.000 1.061 257 V CA 0.034 62.180 62.300 -0.258 0.000 0.913 257 V CB 2.709 34.127 31.823 -0.675 0.000 1.005 257 V HN 0.998 nan 8.190 nan 0.000 0.428 258 T N 7.709 122.150 114.554 -0.188 0.000 2.771 258 T HA 0.637 5.003 4.350 0.026 0.000 0.281 258 T C -0.461 174.198 174.700 -0.068 0.000 0.982 258 T CA -0.007 62.024 62.100 -0.115 0.000 0.978 258 T CB 0.825 69.616 68.868 -0.129 0.000 0.930 258 T HN 0.503 nan 8.240 nan 0.000 0.447 259 I N 3.528 124.096 120.570 -0.003 0.000 2.410 259 I HA 0.424 4.610 4.170 0.026 0.000 0.286 259 I C -1.045 175.138 176.117 0.110 0.000 1.009 259 I CA -0.745 60.593 61.300 0.063 0.000 1.111 259 I CB 1.226 39.258 38.000 0.054 0.000 1.262 259 I HN 0.506 nan 8.210 nan 0.000 0.443 260 F N 4.941 124.859 119.950 -0.054 0.000 2.426 260 F HA 0.389 4.932 4.527 0.026 0.000 0.348 260 F C 0.705 176.475 175.800 -0.050 0.000 1.124 260 F CA -0.044 57.918 58.000 -0.064 0.000 1.008 260 F CB 1.773 40.718 39.000 -0.092 0.000 1.139 260 F HN 0.327 nan 8.300 nan 0.000 0.452 261 S N 4.085 119.557 115.700 -0.380 0.000 2.602 261 S HA 0.411 4.897 4.470 0.026 0.000 0.240 261 S C 0.136 174.601 174.600 -0.225 0.000 0.992 261 S CA -0.055 58.030 58.200 -0.192 0.000 0.971 261 S CB 0.224 63.409 63.200 -0.025 0.000 0.855 261 S HN 0.636 nan 8.310 nan 0.000 0.481 262 A N 3.810 126.349 122.820 -0.467 0.000 2.316 262 A HA 0.616 4.951 4.320 0.026 0.000 0.324 262 A C -2.811 174.812 177.584 0.064 0.000 1.375 262 A CA -1.874 50.079 52.037 -0.140 0.000 0.882 262 A CB 0.430 19.395 19.000 -0.058 0.000 1.152 262 A HN 0.085 nan 8.150 nan 0.000 0.512 263 P HA 0.061 nan 4.420 nan 0.000 0.275 263 P C 0.045 177.435 177.300 0.150 0.000 1.228 263 P CA 0.006 63.123 63.100 0.029 0.000 0.786 263 P CB 0.412 32.087 31.700 -0.042 0.000 0.927 264 N N 0.864 119.648 118.700 0.140 0.000 2.699 264 N HA -0.277 4.478 4.740 0.026 0.000 0.256 264 N C -0.802 174.845 175.510 0.229 0.000 0.993 264 N CA 0.427 53.568 53.050 0.152 0.000 0.759 264 N CB -2.051 36.493 38.487 0.094 0.000 0.906 264 N HN 0.489 nan 8.380 nan 0.000 0.541 265 Y N 0.767 121.182 120.300 0.192 0.000 2.895 265 Y HA -0.032 4.533 4.550 0.026 0.000 0.334 265 Y C 1.627 177.610 175.900 0.138 0.000 1.261 265 Y CA 1.009 59.238 58.100 0.215 0.000 1.560 265 Y CB 0.086 38.735 38.460 0.314 0.000 1.253 265 Y HN 0.483 nan 8.280 nan 0.000 0.582 266 C N 6.180 124.995 119.300 -0.808 0.000 4.331 266 C HA -0.314 4.161 4.460 0.026 0.000 0.293 266 C C 0.677 175.495 174.990 -0.285 0.000 1.436 266 C CA 0.931 59.501 59.018 -0.748 0.000 1.993 266 C CB -3.091 24.121 27.740 -0.880 0.000 1.266 266 C HN 1.148 nan 8.230 nan 0.000 0.795 267 Y N -2.355 117.847 120.300 -0.163 0.000 4.538 267 Y HA -0.402 4.163 4.550 0.025 0.000 0.225 267 Y C 1.386 177.241 175.900 -0.074 0.000 1.074 267 Y CA 1.205 59.243 58.100 -0.104 0.000 1.942 267 Y CB -1.558 36.815 38.460 -0.144 0.000 1.618 267 Y HN 0.825 nan 8.280 nan 0.000 0.642 268 R N -2.923 117.620 120.500 0.071 0.000 2.637 268 R HA 0.259 4.615 4.340 0.026 0.000 0.262 268 R C 1.315 177.638 176.300 0.039 0.000 0.959 268 R CA 0.510 56.633 56.100 0.038 0.000 1.061 268 R CB -0.589 29.716 30.300 0.008 0.000 1.610 268 R HN 0.214 nan 8.270 nan 0.000 0.548 269 C N 1.305 120.644 119.300 0.066 0.000 2.450 269 C HA 0.245 4.720 4.460 0.026 0.000 0.279 269 C C 1.913 176.931 174.990 0.048 0.000 1.335 269 C CA 1.288 60.349 59.018 0.071 0.000 1.749 269 C CB -0.432 27.392 27.740 0.140 0.000 1.963 269 C HN 0.893 nan 8.230 nan 0.000 0.501 270 G N 1.839 110.673 108.800 0.056 0.000 2.159 270 G HA2 -0.245 3.730 3.960 0.026 0.000 0.256 270 G HA3 -0.245 3.730 3.960 0.026 0.000 0.256 270 G C -0.051 174.864 174.900 0.025 0.000 0.977 270 G CA 0.360 45.480 45.100 0.032 0.000 0.652 270 G HN 0.702 nan 8.290 nan 0.000 0.531 271 N N 0.450 119.176 118.700 0.044 0.000 2.482 271 N HA 0.259 5.015 4.740 0.026 0.000 0.260 271 N C 0.065 175.586 175.510 0.019 0.000 1.236 271 N CA -0.012 53.053 53.050 0.025 0.000 0.938 271 N CB 0.786 39.300 38.487 0.044 0.000 1.128 271 N HN 0.525 nan 8.380 nan 0.000 0.448 272 Q N -0.345 119.444 119.800 -0.018 0.000 2.260 272 Q HA 0.543 4.898 4.340 0.026 0.000 0.238 272 Q C -0.407 175.518 176.000 -0.125 0.000 0.948 272 Q CA -0.771 54.988 55.803 -0.073 0.000 0.895 272 Q CB 1.301 30.005 28.738 -0.055 0.000 1.218 272 Q HN 0.788 nan 8.270 nan 0.000 0.470 273 A N 0.498 123.077 122.820 -0.402 0.000 2.288 273 A HA 0.899 5.234 4.320 0.026 0.000 0.328 273 A C -1.184 176.073 177.584 -0.545 0.000 1.123 273 A CA -0.192 51.481 52.037 -0.607 0.000 0.861 273 A CB 1.400 19.674 19.000 -1.211 0.000 1.272 273 A HN 0.708 nan 8.150 nan 0.000 0.490 274 A N -0.036 122.654 122.820 -0.216 0.000 2.594 274 A HA 0.701 5.036 4.320 0.026 0.000 0.295 274 A C -0.795 176.920 177.584 0.217 0.000 1.071 274 A CA -0.275 51.828 52.037 0.110 0.000 0.685 274 A CB 0.791 19.920 19.000 0.215 0.000 1.285 274 A HN 1.695 nan 8.150 nan 0.000 0.405 275 I N -1.354 119.365 120.570 0.249 0.000 2.785 275 I HA 0.773 4.959 4.170 0.026 0.000 0.302 275 I C -0.512 175.603 176.117 -0.003 0.000 1.069 275 I CA -0.989 60.383 61.300 0.120 0.000 1.045 275 I CB 2.281 40.350 38.000 0.115 0.000 1.236 275 I HN 0.718 nan 8.210 nan 0.000 0.429 276 M N 4.233 123.755 119.600 -0.129 0.000 2.072 276 M HA 0.423 4.919 4.480 0.026 0.000 0.331 276 M C -1.006 175.123 176.300 -0.286 0.000 1.004 276 M CA -0.221 54.840 55.300 -0.399 0.000 0.952 276 M CB 1.042 33.325 32.600 -0.528 0.000 1.511 276 M HN 0.643 nan 8.290 nan 0.000 0.422 277 E N 5.914 125.951 120.200 -0.271 0.000 2.229 277 E HA 0.327 4.693 4.350 0.026 0.000 0.283 277 E C -1.228 175.272 176.600 -0.167 0.000 1.030 277 E CA -0.280 56.008 56.400 -0.187 0.000 0.836 277 E CB 1.229 30.842 29.700 -0.145 0.000 1.068 277 E HN 0.686 nan 8.360 nan 0.000 0.401 278 L N 4.188 125.335 121.223 -0.127 0.000 2.280 278 L HA 0.204 4.560 4.340 0.026 0.000 0.287 278 L C 0.442 177.267 176.870 -0.076 0.000 1.023 278 L CA -0.968 53.824 54.840 -0.080 0.000 0.819 278 L CB 0.691 42.720 42.059 -0.051 0.000 1.212 278 L HN 0.588 nan 8.230 nan 0.000 0.420 279 D N 0.851 121.210 120.400 -0.069 0.000 2.376 279 D HA -0.015 4.641 4.640 0.026 0.000 0.268 279 D C 0.457 176.727 176.300 -0.050 0.000 1.252 279 D CA -0.333 53.628 54.000 -0.065 0.000 1.041 279 D CB 0.571 41.332 40.800 -0.065 0.000 1.109 279 D HN 0.389 nan 8.370 nan 0.000 0.552 280 D N -1.800 118.572 120.400 -0.046 0.000 2.309 280 D HA -0.050 4.605 4.640 0.026 0.000 0.212 280 D C 1.082 177.366 176.300 -0.027 0.000 0.968 280 D CA 1.818 55.797 54.000 -0.036 0.000 0.882 280 D CB -0.312 40.468 40.800 -0.034 0.000 0.918 280 D HN 0.598 nan 8.370 nan 0.000 0.503 281 T N -2.680 111.856 114.554 -0.029 0.000 3.200 281 T HA 0.286 4.651 4.350 0.026 0.000 0.284 281 T C 0.923 175.613 174.700 -0.015 0.000 1.009 281 T CA -0.473 61.614 62.100 -0.021 0.000 0.907 281 T CB -0.175 68.678 68.868 -0.025 0.000 1.120 281 T HN 0.115 nan 8.240 nan 0.000 0.534 282 L N 0.019 121.233 121.223 -0.014 0.000 3.898 282 L HA -0.173 4.183 4.340 0.026 0.000 0.407 282 L C -0.272 176.596 176.870 -0.003 0.000 1.207 282 L CA 0.421 55.264 54.840 0.005 0.000 0.931 282 L CB -1.168 40.911 42.059 0.034 0.000 2.014 282 L HN 0.462 nan 8.230 nan 0.000 0.858 283 K N 1.057 121.424 120.400 -0.055 0.000 2.297 283 K HA 0.308 4.643 4.320 0.026 0.000 0.286 283 K C -0.050 176.478 176.600 -0.120 0.000 1.053 283 K CA -0.448 55.756 56.287 -0.138 0.000 0.940 283 K CB 0.562 32.971 32.500 -0.151 0.000 1.019 283 K HN 0.148 nan 8.250 nan 0.000 0.475 284 Y N 0.042 120.317 120.300 -0.042 0.000 2.309 284 Y HA 0.398 4.962 4.550 0.023 0.000 0.327 284 Y C 0.019 175.818 175.900 -0.169 0.000 1.172 284 Y CA -1.102 56.907 58.100 -0.152 0.000 1.280 284 Y CB 0.966 39.353 38.460 -0.120 0.000 1.234 284 Y HN 0.479 nan 8.280 nan 0.000 0.512 285 S N 3.004 118.630 115.700 -0.123 0.000 2.540 285 S HA 0.710 5.195 4.470 0.026 0.000 0.275 285 S C -1.575 172.828 174.600 -0.329 0.000 1.123 285 S CA -0.886 57.260 58.200 -0.089 0.000 0.907 285 S CB 0.729 63.905 63.200 -0.041 0.000 1.081 285 S HN 0.513 nan 8.310 nan 0.000 0.476 286 F N 1.753 121.655 119.950 -0.080 0.000 2.436 286 F HA 0.604 5.148 4.527 0.028 0.000 0.340 286 F C -0.106 175.622 175.800 -0.121 0.000 1.113 286 F CA -0.829 56.998 58.000 -0.289 0.000 1.022 286 F CB 1.611 40.056 39.000 -0.925 0.000 1.128 286 F HN 0.443 nan 8.300 nan 0.000 0.466 287 L N 4.047 125.334 121.223 0.107 0.000 2.325 287 L HA 0.470 4.826 4.340 0.026 0.000 0.281 287 L C -0.648 176.377 176.870 0.257 0.000 1.004 287 L CA -0.736 54.201 54.840 0.161 0.000 0.823 287 L CB 1.648 43.779 42.059 0.121 0.000 1.236 287 L HN 0.564 nan 8.230 nan 0.000 0.415 288 Q N 3.805 123.756 119.800 0.251 0.000 2.245 288 Q HA 0.659 5.014 4.340 0.026 0.000 0.256 288 Q C -1.173 174.999 176.000 0.288 0.000 0.942 288 Q CA -0.552 55.386 55.803 0.224 0.000 0.896 288 Q CB 2.486 31.331 28.738 0.179 0.000 1.272 288 Q HN 0.509 nan 8.270 nan 0.000 0.442 289 F N -1.609 118.386 119.950 0.074 0.000 2.626 289 F HA 0.572 5.114 4.527 0.025 0.000 0.311 289 F C -0.818 175.013 175.800 0.051 0.000 1.088 289 F CA -1.302 56.729 58.000 0.052 0.000 0.949 289 F CB 1.322 40.342 39.000 0.033 0.000 1.322 289 F HN 0.253 nan 8.300 nan 0.000 0.461 290 D N 1.642 122.155 120.400 0.189 0.000 2.432 290 D HA 0.353 5.008 4.640 0.026 0.000 0.258 290 D C -2.499 173.897 176.300 0.161 0.000 1.146 290 D CA -1.170 52.888 54.000 0.096 0.000 1.015 290 D CB 0.943 41.791 40.800 0.081 0.000 1.107 290 D HN 0.301 nan 8.370 nan 0.000 0.529 291 P HA 0.124 nan 4.420 nan 0.000 0.269 291 P C -0.811 176.531 177.300 0.071 0.000 1.215 291 P CA -0.290 62.865 63.100 0.091 0.000 0.780 291 P CB 0.406 32.122 31.700 0.026 0.000 0.898 292 A N 3.736 126.590 122.820 0.057 0.000 2.445 292 A HA 0.483 4.819 4.320 0.026 0.000 0.242 292 A C -1.571 175.995 177.584 -0.031 0.000 1.075 292 A CA -0.572 51.477 52.037 0.021 0.000 0.777 292 A CB -1.472 17.544 19.000 0.027 0.000 1.013 292 A HN 0.496 nan 8.150 nan 0.000 0.493 305 P HA 0.566 nan 4.420 nan 0.000 0.287 305 P C -0.661 176.511 177.300 -0.213 0.000 1.281 305 P CA -0.342 62.688 63.100 -0.116 0.000 0.781 305 P CB 0.863 32.486 31.700 -0.128 0.000 0.903 306 D N 1.829 122.145 120.400 -0.140 0.000 3.168 306 D HA 0.111 4.766 4.640 0.026 0.000 0.255 306 D C -1.376 174.843 176.300 -0.134 0.000 1.314 306 D CA -0.321 53.606 54.000 -0.122 0.000 0.900 306 D CB -0.901 39.904 40.800 0.009 0.000 1.072 306 D HN 0.367 nan 8.370 nan 0.000 0.487 307 Y N 0.150 120.081 120.300 -0.615 0.000 2.323 307 Y HA 0.308 4.873 4.550 0.026 0.000 0.322 307 Y C -1.493 174.028 175.900 -0.632 0.000 1.133 307 Y CA -0.954 56.898 58.100 -0.413 0.000 1.093 307 Y CB 0.560 38.879 38.460 -0.234 0.000 1.203 307 Y HN -0.137 nan 8.280 nan 0.000 0.427 308 F N 6.001 125.718 119.950 -0.387 0.000 2.805 308 F HA 0.361 4.903 4.527 0.026 0.000 0.317 308 F C -0.434 175.125 175.800 -0.401 0.000 1.146 308 F CA -0.355 57.472 58.000 -0.288 0.000 1.265 308 F CB 0.355 39.271 39.000 -0.139 0.000 0.992 308 F HN 0.344 nan 8.300 nan 0.000 0.511 309 L N 0.000 120.791 121.223 -0.720 0.000 2.949 309 L HA 0.000 4.356 4.340 0.026 0.000 0.249 309 L CA 0.000 54.547 54.840 -0.488 0.000 0.813 309 L CB 0.000 41.681 42.059 -0.631 0.000 0.961 309 L HN 0.000 nan 8.230 nan 0.000 0.502