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 1zmd_1_F DATA FIRST_RESID 4 DATA SEQUENCE PIDADVTVIG SGPGGYVAAI KAAQLGFKTV CIEKNETLGG TCLNVGCIPS DATA SEQUENCE KALLNNSHYY HMAHGTDFAS RGIEMSEVRL NLDKMMEQKS TAVKALTGGI DATA SEQUENCE AHLFKQNKVV HVNGYGKITG KNQVTATKAD GGTQVIDTKN ILIATGSEVT DATA SEQUENCE PFPGITIDED TIVSSTGALS LKKVPEKMVV IGAGVIGVEL GSVWQRLGAD DATA SEQUENCE VTAVEFLGHV GGVGIDMEIS KNFQRILQKQ GFKFKLNTKV TGATKKSDGK DATA SEQUENCE IDVSIEAASG GKAEVITCDV LLVCIGRRPF TKNLGLEELG IELDPRGRIP DATA SEQUENCE VNTRFQTKIP NIYAIGDVVA GPMLAHKAED EGIICVEGMA GGAVHIDYNC DATA SEQUENCE VPSVIYTHPE VAWVGKSEEQ LKEEGIEYKV GKFPFAANSR AKTNADTDGM DATA SEQUENCE VKILGQKSTD RVLGAHILGP GAGEMVNEAA LALEYGASCE DIARVCHAHP DATA SEQUENCE TLSEAFREAN LAASFGKSIN F 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.302 177.300 0.004 0.000 1.155 4 P CA 0.000 63.103 63.100 0.005 0.000 0.800 4 P CB 0.000 31.703 31.700 0.005 0.000 0.726 5 I N -0.629 119.944 120.570 0.004 0.000 2.846 5 I HA 0.895 5.065 4.170 -0.000 0.000 0.307 5 I C -1.048 175.071 176.117 0.004 0.000 1.053 5 I CA -0.936 60.366 61.300 0.003 0.000 1.050 5 I CB 2.763 40.763 38.000 0.001 0.000 1.239 5 I HN 0.272 nan 8.210 nan 0.000 0.439 6 D N 2.694 123.096 120.400 0.004 0.000 2.374 6 D HA 0.869 5.509 4.640 -0.000 0.000 0.239 6 D C -0.774 175.528 176.300 0.003 0.000 0.991 6 D CA -0.694 53.309 54.000 0.005 0.000 0.960 6 D CB 2.135 42.940 40.800 0.008 0.000 1.284 6 D HN 1.032 nan 8.370 nan 0.000 0.512 7 A N 0.243 123.065 122.820 0.003 0.000 2.610 7 A HA 0.453 4.773 4.320 -0.000 0.000 0.291 7 A C -0.532 177.052 177.584 -0.000 0.000 1.086 7 A CA -0.729 51.308 52.037 -0.001 0.000 0.677 7 A CB 1.407 20.396 19.000 -0.018 0.000 1.278 7 A HN 0.507 nan 8.150 nan 0.000 0.414 8 D N -0.530 119.875 120.400 0.008 0.000 2.216 8 D HA 0.182 4.822 4.640 -0.000 0.000 0.208 8 D C 0.105 176.319 176.300 -0.143 0.000 0.960 8 D CA 1.543 55.539 54.000 -0.007 0.000 0.861 8 D CB 0.564 41.446 40.800 0.137 0.000 0.985 8 D HN 0.232 nan 8.370 nan 0.000 0.493 9 V N 0.759 120.582 119.914 -0.153 0.000 2.569 9 V HA 0.282 4.402 4.120 -0.000 0.000 0.301 9 V C -0.515 175.505 176.094 -0.124 0.000 1.044 9 V CA -0.583 61.589 62.300 -0.214 0.000 0.874 9 V CB 2.284 33.888 31.823 -0.365 0.000 1.002 9 V HN -0.162 nan 8.190 nan 0.000 0.424 10 T N 4.240 118.739 114.554 -0.092 0.000 2.791 10 T HA 0.533 4.883 4.350 -0.000 0.000 0.288 10 T C -0.371 174.299 174.700 -0.050 0.000 0.999 10 T CA -0.377 61.689 62.100 -0.058 0.000 0.952 10 T CB 1.504 70.356 68.868 -0.027 0.000 0.938 10 T HN 0.345 nan 8.240 nan 0.000 0.444 11 V N 5.341 125.223 119.914 -0.052 0.000 2.394 11 V HA 0.440 4.560 4.120 -0.000 0.000 0.282 11 V C 0.134 176.228 176.094 -0.001 0.000 1.031 11 V CA -0.784 61.496 62.300 -0.032 0.000 0.881 11 V CB 1.061 32.859 31.823 -0.041 0.000 0.982 11 V HN 0.806 nan 8.190 nan 0.000 0.451 12 I N 4.923 125.500 120.570 0.010 0.000 2.306 12 I HA 0.704 4.874 4.170 -0.000 0.000 0.288 12 I C 0.728 176.859 176.117 0.023 0.000 1.036 12 I CA 0.064 61.373 61.300 0.015 0.000 1.221 12 I CB 0.893 38.900 38.000 0.013 0.000 1.385 12 I HN 0.891 nan 8.210 nan 0.000 0.472 13 G N 3.783 112.601 108.800 0.031 0.000 2.841 13 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.684 13 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.684 13 G C -0.183 174.767 174.900 0.082 0.000 1.273 13 G CA -0.287 44.837 45.100 0.040 0.000 0.811 13 G HN 0.681 nan 8.290 nan 0.000 0.631 14 S N 0.798 116.552 115.700 0.090 0.000 2.624 14 S HA 0.626 5.096 4.470 -0.000 0.000 0.246 14 S C 1.182 175.876 174.600 0.158 0.000 1.072 14 S CA 0.728 59.024 58.200 0.160 0.000 1.045 14 S CB 0.482 63.744 63.200 0.103 0.000 0.851 14 S HN 1.919 nan 8.310 nan 0.000 0.480 15 G N 2.250 111.124 108.800 0.124 0.000 2.553 15 G HA2 0.443 4.402 3.960 -0.000 0.000 0.278 15 G HA3 0.443 4.402 3.960 -0.000 0.000 0.278 15 G C -1.644 173.382 174.900 0.210 0.000 1.349 15 G CA -1.613 43.562 45.100 0.126 0.000 1.037 15 G HN 0.199 nan 8.290 nan 0.000 0.508 16 P HA -0.122 nan 4.420 nan 0.000 0.217 16 P C 1.949 179.165 177.300 -0.140 0.000 1.151 16 P CA 1.952 65.072 63.100 0.033 0.000 0.849 16 P CB 0.010 31.728 31.700 0.029 0.000 0.787 17 G N -0.629 108.131 108.800 -0.066 0.000 2.434 17 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.214 17 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.214 17 G C 1.803 176.646 174.900 -0.094 0.000 1.202 17 G CA 0.892 45.935 45.100 -0.096 0.000 0.788 17 G HN 0.356 nan 8.290 nan 0.000 0.539 18 G N 0.245 109.038 108.800 -0.013 0.000 2.402 18 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 18 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 18 G C 1.729 176.697 174.900 0.114 0.000 1.162 18 G CA 1.326 46.447 45.100 0.034 0.000 0.777 18 G HN 0.605 nan 8.290 nan 0.000 0.539 19 Y N 0.830 121.203 120.300 0.122 0.000 2.293 19 Y HA 0.098 4.648 4.550 -0.000 0.000 0.291 19 Y C 2.332 178.363 175.900 0.220 0.000 1.137 19 Y CA 0.957 59.222 58.100 0.275 0.000 1.202 19 Y CB -0.596 37.909 38.460 0.074 0.000 0.990 19 Y HN 0.008 nan 8.280 nan 0.000 0.537 20 V N 1.358 120.917 119.914 -0.592 0.000 2.323 20 V HA -0.215 3.905 4.120 -0.000 0.000 0.244 20 V C 2.896 178.892 176.094 -0.163 0.000 1.041 20 V CA 1.746 63.757 62.300 -0.482 0.000 1.025 20 V CB -1.433 30.064 31.823 -0.544 0.000 0.656 20 V HN 0.615 nan 8.190 nan 0.000 0.451 21 A N 0.158 122.895 122.820 -0.138 0.000 1.908 21 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 21 A C 2.422 179.970 177.584 -0.059 0.000 1.181 21 A CA 2.370 54.346 52.037 -0.102 0.000 0.627 21 A CB -0.847 18.083 19.000 -0.117 0.000 0.818 21 A HN 0.581 nan 8.150 nan 0.000 0.445 22 A N -0.254 122.551 122.820 -0.025 0.000 1.877 22 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 22 A C 2.159 179.729 177.584 -0.023 0.000 1.186 22 A CA 1.559 53.560 52.037 -0.060 0.000 0.620 22 A CB -0.593 18.317 19.000 -0.150 0.000 0.822 22 A HN 0.501 nan 8.150 nan 0.000 0.443 23 I N -0.838 119.789 120.570 0.095 0.000 2.142 23 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 23 I C 2.550 178.702 176.117 0.059 0.000 1.078 23 I CA 1.834 63.208 61.300 0.124 0.000 1.343 23 I CB -0.182 37.947 38.000 0.215 0.000 1.046 23 I HN 0.232 nan 8.210 nan 0.000 0.405 24 K N 1.513 121.931 120.400 0.030 0.000 2.063 24 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 24 K C 2.018 178.650 176.600 0.053 0.000 1.048 24 K CA 1.883 58.183 56.287 0.021 0.000 0.928 24 K CB -0.524 31.969 32.500 -0.010 0.000 0.713 24 K HN 0.309 nan 8.250 nan 0.000 0.442 25 A N 0.338 123.197 122.820 0.065 0.000 1.902 25 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 25 A C 2.370 180.070 177.584 0.194 0.000 1.181 25 A CA 2.157 54.308 52.037 0.191 0.000 0.623 25 A CB -1.071 17.970 19.000 0.068 0.000 0.818 25 A HN 0.419 nan 8.150 nan 0.000 0.443 26 A N -0.873 121.997 122.820 0.082 0.000 1.930 26 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 26 A C 2.103 179.704 177.584 0.029 0.000 1.175 26 A CA 1.602 53.669 52.037 0.051 0.000 0.627 26 A CB -0.553 18.452 19.000 0.009 0.000 0.815 26 A HN 0.648 nan 8.150 nan 0.000 0.443 27 Q N -0.630 119.187 119.800 0.028 0.000 2.170 27 Q HA -0.036 4.304 4.340 -0.000 0.000 0.203 27 Q C 1.569 177.553 176.000 -0.026 0.000 0.976 27 Q CA 1.119 56.926 55.803 0.007 0.000 0.858 27 Q CB -0.250 28.499 28.738 0.017 0.000 0.907 27 Q HN 0.672 nan 8.270 nan 0.000 0.433 28 L N -1.075 120.127 121.223 -0.035 0.000 2.599 28 L HA 0.105 4.445 4.340 -0.000 0.000 0.230 28 L C 1.154 177.863 176.870 -0.268 0.000 1.141 28 L CA 0.493 55.254 54.840 -0.133 0.000 0.877 28 L CB 0.104 42.090 42.059 -0.122 0.000 1.009 28 L HN 0.413 nan 8.230 nan 0.000 0.447 29 G N -1.013 107.686 108.800 -0.168 0.000 2.179 29 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 29 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 29 G C 0.093 174.915 174.900 -0.131 0.000 0.990 29 G CA -0.647 44.347 45.100 -0.176 0.000 0.646 29 G HN 0.108 nan 8.290 nan 0.000 0.517 30 F N 1.434 121.362 119.950 -0.036 0.000 2.443 30 F HA 0.486 5.013 4.527 0.000 0.000 0.353 30 F C 1.014 176.788 175.800 -0.043 0.000 1.101 30 F CA -0.327 57.648 58.000 -0.040 0.000 1.226 30 F CB 1.035 40.003 39.000 -0.053 0.000 1.140 30 F HN 0.043 nan 8.300 nan 0.000 0.557 31 K N 2.274 122.779 120.400 0.174 0.000 2.378 31 K HA 0.241 4.561 4.320 -0.000 0.000 0.288 31 K C -0.875 175.749 176.600 0.040 0.000 1.057 31 K CA 0.055 56.384 56.287 0.071 0.000 0.971 31 K CB 0.143 32.672 32.500 0.049 0.000 0.975 31 K HN 0.703 nan 8.250 nan 0.000 0.475 32 T N 3.197 117.750 114.554 -0.001 0.000 2.824 32 T HA 0.368 4.718 4.350 -0.000 0.000 0.282 32 T C -0.983 173.658 174.700 -0.097 0.000 0.993 32 T CA -0.732 61.335 62.100 -0.056 0.000 0.967 32 T CB 1.631 70.458 68.868 -0.069 0.000 0.960 32 T HN 0.265 nan 8.240 nan 0.000 0.441 33 V N 1.952 121.808 119.914 -0.097 0.000 2.555 33 V HA 0.579 4.699 4.120 -0.000 0.000 0.302 33 V C -0.344 175.683 176.094 -0.112 0.000 1.038 33 V CA -0.822 61.423 62.300 -0.091 0.000 0.887 33 V CB 1.840 33.639 31.823 -0.040 0.000 0.991 33 V HN 1.100 nan 8.190 nan 0.000 0.434 34 C N 6.907 126.133 119.300 -0.123 0.000 2.340 34 C HA 0.697 5.157 4.460 -0.000 0.000 0.323 34 C C -0.352 174.679 174.990 0.068 0.000 1.260 34 C CA -0.547 58.427 59.018 -0.074 0.000 1.464 34 C CB -0.565 27.052 27.740 -0.204 0.000 2.156 34 C HN 0.799 nan 8.230 nan 0.000 0.476 35 I N 4.875 125.487 120.570 0.070 0.000 2.359 35 I HA 0.494 4.664 4.170 -0.000 0.000 0.294 35 I C -0.301 175.876 176.117 0.100 0.000 0.987 35 I CA 0.216 61.580 61.300 0.106 0.000 1.225 35 I CB 1.460 39.494 38.000 0.057 0.000 1.366 35 I HN 0.620 nan 8.210 nan 0.000 0.466 36 E N 5.694 125.985 120.200 0.152 0.000 2.263 36 E HA 0.247 4.597 4.350 -0.000 0.000 0.268 36 E C 0.052 176.709 176.600 0.095 0.000 0.884 36 E CA -0.804 55.657 56.400 0.100 0.000 0.766 36 E CB 1.442 31.197 29.700 0.091 0.000 1.196 36 E HN 0.561 nan 8.360 nan 0.000 0.416 37 K N 2.755 123.161 120.400 0.010 0.000 2.228 37 K HA 0.122 4.442 4.320 -0.000 0.000 0.202 37 K C 0.239 176.871 176.600 0.053 0.000 1.051 37 K CA 0.258 56.560 56.287 0.024 0.000 0.960 37 K CB -0.019 32.441 32.500 -0.065 0.000 0.743 37 K HN 0.231 nan 8.250 nan 0.000 0.458 38 N N 1.769 120.486 118.700 0.028 0.000 2.364 38 N HA 0.019 4.759 4.740 -0.000 0.000 0.264 38 N C 0.590 176.129 175.510 0.048 0.000 1.263 38 N CA -0.217 52.848 53.050 0.026 0.000 0.959 38 N CB 0.635 39.117 38.487 -0.009 0.000 1.204 38 N HN 0.167 nan 8.380 nan 0.000 0.550 39 E N -0.778 119.442 120.200 0.032 0.000 2.204 39 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 39 E C 0.133 176.755 176.600 0.037 0.000 0.989 39 E CA 0.887 57.309 56.400 0.037 0.000 0.824 39 E CB 0.183 29.895 29.700 0.019 0.000 0.756 39 E HN 0.702 nan 8.360 nan 0.000 0.477 40 T N -2.476 112.082 114.554 0.007 0.000 2.887 40 T HA 0.576 4.926 4.350 -0.000 0.000 0.292 40 T C -0.083 174.576 174.700 -0.069 0.000 1.087 40 T CA -0.961 61.122 62.100 -0.028 0.000 1.009 40 T CB 1.397 70.233 68.868 -0.054 0.000 1.203 40 T HN -0.126 nan 8.240 nan 0.000 0.518 41 L N 0.302 121.435 121.223 -0.151 0.000 2.448 41 L HA 0.663 5.003 4.340 -0.000 0.000 0.258 41 L C 1.770 178.513 176.870 -0.212 0.000 1.104 41 L CA -0.034 54.672 54.840 -0.223 0.000 0.800 41 L CB 0.441 42.249 42.059 -0.419 0.000 1.241 41 L HN 1.170 nan 8.230 nan 0.000 0.472 42 G N -0.907 107.774 108.800 -0.199 0.000 2.238 42 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.217 42 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.217 42 G C 0.670 175.550 174.900 -0.033 0.000 0.996 42 G CA -0.059 44.950 45.100 -0.151 0.000 0.632 42 G HN 1.432 nan 8.290 nan 0.000 0.503 43 G N -0.644 108.135 108.800 -0.034 0.000 2.578 43 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.275 43 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.275 43 G C 1.102 175.987 174.900 -0.025 0.000 1.271 43 G CA 1.566 46.654 45.100 -0.019 0.000 0.941 43 G HN 1.357 nan 8.290 nan 0.000 0.564 44 T N -0.190 114.353 114.554 -0.019 0.000 2.652 44 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 44 T C 2.527 177.223 174.700 -0.007 0.000 1.039 44 T CA 3.030 65.120 62.100 -0.017 0.000 1.153 44 T CB -0.892 67.969 68.868 -0.011 0.000 0.863 44 T HN 1.242 nan 8.240 nan 0.000 0.428 45 C N 1.836 121.139 119.300 0.005 0.000 2.367 45 C HA -0.100 4.360 4.460 -0.000 0.000 0.276 45 C C 2.561 177.546 174.990 -0.008 0.000 1.195 45 C CA 0.673 59.696 59.018 0.008 0.000 1.756 45 C CB -1.528 26.230 27.740 0.031 0.000 2.046 45 C HN 0.445 nan 8.230 nan 0.000 0.453 46 L N 1.183 122.396 121.223 -0.018 0.000 2.072 46 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 46 L C 2.440 179.282 176.870 -0.047 0.000 1.079 46 L CA 1.916 56.729 54.840 -0.046 0.000 0.752 46 L CB -1.485 40.523 42.059 -0.085 0.000 0.906 46 L HN 0.596 nan 8.230 nan 0.000 0.436 47 N N -0.150 118.525 118.700 -0.041 0.000 2.305 47 N HA -0.044 4.696 4.740 -0.000 0.000 0.179 47 N C 1.254 176.751 175.510 -0.023 0.000 1.019 47 N CA 1.392 54.420 53.050 -0.037 0.000 0.869 47 N CB 0.785 39.247 38.487 -0.041 0.000 1.000 47 N HN 0.343 nan 8.380 nan 0.000 0.431 48 V N -3.597 116.307 119.914 -0.016 0.000 3.172 48 V HA 0.624 4.744 4.120 -0.000 0.000 0.343 48 V C 0.497 176.595 176.094 0.006 0.000 1.429 48 V CA -0.180 62.118 62.300 -0.003 0.000 1.149 48 V CB 0.541 32.361 31.823 -0.006 0.000 1.106 48 V HN 0.126 nan 8.190 nan 0.000 0.526 49 G N -0.671 108.129 108.800 0.001 0.000 3.259 49 G HA2 0.141 4.101 3.960 -0.000 0.000 0.193 49 G HA3 0.141 4.101 3.960 -0.000 0.000 0.193 49 G C 1.024 175.923 174.900 -0.001 0.000 1.457 49 G CA 0.629 45.735 45.100 0.009 0.000 0.771 49 G HN 0.187 nan 8.290 nan 0.000 0.765 50 C N 0.544 119.839 119.300 -0.008 0.000 2.376 50 C HA -0.115 4.345 4.460 -0.000 0.000 0.275 50 C C 2.832 177.776 174.990 -0.077 0.000 1.200 50 C CA 1.492 60.486 59.018 -0.040 0.000 1.756 50 C CB -1.161 26.561 27.740 -0.030 0.000 2.050 50 C HN 0.376 nan 8.230 nan 0.000 0.460 51 I N 2.518 123.053 120.570 -0.060 0.000 2.142 51 I HA -0.067 4.103 4.170 -0.000 0.000 0.240 51 I C -0.032 176.051 176.117 -0.057 0.000 1.078 51 I CA 1.668 62.928 61.300 -0.067 0.000 1.343 51 I CB -2.988 34.979 38.000 -0.055 0.000 1.046 51 I HN 0.346 nan 8.210 nan 0.000 0.405 52 P HA -0.084 nan 4.420 nan 0.000 0.219 52 P C 1.851 179.135 177.300 -0.027 0.000 1.150 52 P CA 1.781 64.866 63.100 -0.026 0.000 0.814 52 P CB -0.067 31.628 31.700 -0.009 0.000 0.787 53 S N 0.203 115.889 115.700 -0.023 0.000 2.368 53 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 53 S C 2.022 176.595 174.600 -0.046 0.000 1.029 53 S CA 1.033 59.224 58.200 -0.015 0.000 0.988 53 S CB -0.863 62.347 63.200 0.017 0.000 0.838 53 S HN -0.020 nan 8.310 nan 0.000 0.462 54 K N 1.986 122.330 120.400 -0.094 0.000 2.211 54 K HA 0.326 4.646 4.320 -0.000 0.000 0.203 54 K C 2.271 178.827 176.600 -0.073 0.000 1.050 54 K CA 1.009 57.218 56.287 -0.130 0.000 0.945 54 K CB -0.832 31.513 32.500 -0.259 0.000 0.732 54 K HN 0.499 nan 8.250 nan 0.000 0.451 55 A N 0.493 123.277 122.820 -0.059 0.000 1.898 55 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 55 A C 2.032 179.594 177.584 -0.038 0.000 1.181 55 A CA 1.254 53.269 52.037 -0.036 0.000 0.620 55 A CB -0.557 18.423 19.000 -0.034 0.000 0.819 55 A HN 0.197 nan 8.150 nan 0.000 0.442 56 L N -0.902 120.282 121.223 -0.065 0.000 2.109 56 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 56 L C 2.527 179.335 176.870 -0.103 0.000 1.086 56 L CA 0.689 55.458 54.840 -0.118 0.000 0.760 56 L CB -0.511 41.443 42.059 -0.175 0.000 0.910 56 L HN 0.351 nan 8.230 nan 0.000 0.437 57 L N -0.118 121.070 121.223 -0.059 0.000 2.046 57 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 57 L C 2.488 179.356 176.870 -0.004 0.000 1.077 57 L CA 1.571 56.402 54.840 -0.015 0.000 0.747 57 L CB -0.616 41.464 42.059 0.035 0.000 0.896 57 L HN 0.422 nan 8.230 nan 0.000 0.432 58 N N -0.131 118.566 118.700 -0.005 0.000 2.106 58 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 58 N C 1.570 177.114 175.510 0.056 0.000 1.029 58 N CA 1.344 54.398 53.050 0.007 0.000 0.848 58 N CB 0.062 38.590 38.487 0.068 0.000 1.007 58 N HN 0.335 nan 8.380 nan 0.000 0.423 59 N N 0.713 119.452 118.700 0.065 0.000 2.142 59 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 59 N C 1.936 177.483 175.510 0.061 0.000 1.023 59 N CA 1.476 54.581 53.050 0.091 0.000 0.852 59 N CB -0.546 37.951 38.487 0.018 0.000 0.998 59 N HN 0.375 nan 8.380 nan 0.000 0.424 60 S N -0.123 115.567 115.700 -0.016 0.000 2.406 60 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 60 S C 1.895 176.530 174.600 0.058 0.000 1.020 60 S CA 0.960 59.154 58.200 -0.009 0.000 0.965 60 S CB -0.524 62.594 63.200 -0.137 0.000 0.798 60 S HN 0.438 nan 8.310 nan 0.000 0.488 61 H N 0.770 119.789 119.070 -0.085 0.000 2.321 61 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 61 H C 1.655 176.864 175.328 -0.199 0.000 1.087 61 H CA 1.919 57.865 56.048 -0.170 0.000 1.319 61 H CB -0.682 28.854 29.762 -0.377 0.000 1.379 61 H HN 0.424 nan 8.280 nan 0.000 0.501 62 Y N -0.877 119.318 120.300 -0.176 0.000 2.274 62 Y HA -0.186 4.364 4.550 0.000 0.000 0.290 62 Y C 2.405 178.137 175.900 -0.281 0.000 1.145 62 Y CA 1.330 59.266 58.100 -0.273 0.000 1.203 62 Y CB -1.058 37.348 38.460 -0.089 0.000 0.984 62 Y HN 0.356 nan 8.280 nan 0.000 0.533 63 Y N -0.070 120.181 120.300 -0.081 0.000 2.181 63 Y HA -0.292 4.258 4.550 -0.000 0.000 0.288 63 Y C 2.836 178.681 175.900 -0.092 0.000 1.146 63 Y CA 2.176 60.220 58.100 -0.093 0.000 1.164 63 Y CB -0.940 37.466 38.460 -0.089 0.000 0.982 63 Y HN 0.336 nan 8.280 nan 0.000 0.515 64 H N -0.746 118.121 119.070 -0.338 0.000 2.353 64 H HA -0.148 4.408 4.556 0.000 0.000 0.300 64 H C 1.867 176.950 175.328 -0.408 0.000 1.090 64 H CA 1.515 57.346 56.048 -0.363 0.000 1.327 64 H CB 0.130 29.766 29.762 -0.210 0.000 1.383 64 H HN 0.285 nan 8.280 nan 0.000 0.508 65 M N 0.452 119.650 119.600 -0.669 0.000 2.213 65 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 65 M C 2.620 178.411 176.300 -0.848 0.000 1.062 65 M CA 1.179 56.029 55.300 -0.750 0.000 1.105 65 M CB -0.976 31.205 32.600 -0.699 0.000 1.385 65 M HN 0.415 nan 8.290 nan 0.000 0.417 66 A N -1.250 121.044 122.820 -0.878 0.000 1.903 66 A HA -0.135 4.185 4.320 -0.000 0.000 0.213 66 A C 2.144 179.520 177.584 -0.347 0.000 1.185 66 A CA 1.094 52.704 52.037 -0.713 0.000 0.628 66 A CB -0.865 17.835 19.000 -0.500 0.000 0.830 66 A HN 0.523 nan 8.150 nan 0.000 0.446 67 H N 0.021 118.786 119.070 -0.509 0.000 2.470 67 H HA 0.069 4.625 4.556 -0.000 0.000 0.289 67 H C 1.355 176.529 175.328 -0.257 0.000 1.033 67 H CA 1.198 56.991 56.048 -0.426 0.000 1.331 67 H CB -0.100 29.171 29.762 -0.818 0.000 1.414 67 H HN 0.428 nan 8.280 nan 0.000 0.545 68 G N -0.671 108.023 108.800 -0.176 0.000 2.582 68 G HA2 0.052 4.012 3.960 -0.000 0.000 0.232 68 G HA3 0.052 4.012 3.960 -0.000 0.000 0.232 68 G C 0.796 175.615 174.900 -0.135 0.000 1.458 68 G CA 0.332 45.364 45.100 -0.113 0.000 1.062 68 G HN 0.307 nan 8.290 nan 0.000 0.566 69 T N -0.161 114.338 114.554 -0.092 0.000 3.081 69 T HA 0.034 4.384 4.350 -0.000 0.000 0.255 69 T C 1.681 176.366 174.700 -0.026 0.000 1.113 69 T CA 0.750 62.820 62.100 -0.050 0.000 1.082 69 T CB 0.047 68.903 68.868 -0.019 0.000 0.939 69 T HN 0.540 nan 8.240 nan 0.000 0.506 70 D N 1.099 121.461 120.400 -0.064 0.000 2.087 70 D HA -0.149 4.491 4.640 -0.000 0.000 0.192 70 D C 1.536 177.958 176.300 0.202 0.000 0.993 70 D CA 1.231 55.248 54.000 0.029 0.000 0.828 70 D CB -0.064 40.714 40.800 -0.037 0.000 0.968 70 D HN 0.229 nan 8.370 nan 0.000 0.448 71 F N 1.506 121.402 119.950 -0.091 0.000 2.134 71 F HA -0.050 4.477 4.527 0.000 0.000 0.299 71 F C 2.672 178.441 175.800 -0.053 0.000 1.097 71 F CA 0.765 58.726 58.000 -0.065 0.000 1.264 71 F CB -1.326 37.633 39.000 -0.069 0.000 1.001 71 F HN 0.000 nan 8.300 nan 0.000 0.479 72 A N 0.055 122.954 122.820 0.132 0.000 1.917 72 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 72 A C 2.383 179.982 177.584 0.024 0.000 1.182 72 A CA 2.450 54.516 52.037 0.047 0.000 0.633 72 A CB -1.278 17.732 19.000 0.016 0.000 0.819 72 A HN 0.427 nan 8.150 nan 0.000 0.448 73 S N -0.568 115.150 115.700 0.031 0.000 2.474 73 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 73 S C 1.610 176.213 174.600 0.005 0.000 0.997 73 S CA 1.138 59.349 58.200 0.018 0.000 0.949 73 S CB -0.326 62.889 63.200 0.026 0.000 0.766 73 S HN 0.628 nan 8.310 nan 0.000 0.517 74 R N 0.363 120.858 120.500 -0.009 0.000 2.334 74 R HA 0.328 4.668 4.340 -0.000 0.000 0.216 74 R C 1.374 177.631 176.300 -0.071 0.000 0.905 74 R CA 0.376 56.446 56.100 -0.050 0.000 1.064 74 R CB 0.133 30.369 30.300 -0.106 0.000 1.046 74 R HN 0.544 nan 8.270 nan 0.000 0.508 75 G N 1.495 110.266 108.800 -0.048 0.000 2.141 75 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.242 75 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.242 75 G C 0.111 174.972 174.900 -0.066 0.000 0.982 75 G CA -0.329 44.741 45.100 -0.049 0.000 0.662 75 G HN 0.254 nan 8.290 nan 0.000 0.527 76 I N 1.813 122.331 120.570 -0.086 0.000 2.282 76 I HA 0.299 4.469 4.170 -0.000 0.000 0.290 76 I C 0.217 176.332 176.117 -0.003 0.000 1.090 76 I CA -0.306 60.938 61.300 -0.094 0.000 1.231 76 I CB 0.675 38.523 38.000 -0.253 0.000 1.434 76 I HN 0.118 nan 8.210 nan 0.000 0.487 77 E N 7.578 127.776 120.200 -0.004 0.000 2.197 77 E HA 0.616 4.966 4.350 -0.000 0.000 0.281 77 E C -0.735 175.876 176.600 0.019 0.000 0.995 77 E CA -0.529 55.877 56.400 0.010 0.000 0.808 77 E CB 1.927 31.626 29.700 -0.002 0.000 1.093 77 E HN 0.488 nan 8.360 nan 0.000 0.394 78 M N 0.769 120.384 119.600 0.024 0.000 2.690 78 M HA 0.251 4.731 4.480 -0.000 0.000 0.302 78 M C 0.829 177.134 176.300 0.007 0.000 1.234 78 M CA -0.646 54.669 55.300 0.024 0.000 0.853 78 M CB 2.015 34.642 32.600 0.046 0.000 1.748 78 M HN 0.555 nan 8.290 nan 0.000 0.469 79 S N -0.094 115.612 115.700 0.011 0.000 2.320 79 S HA 0.060 4.530 4.470 -0.000 0.000 0.180 79 S C 0.377 174.978 174.600 0.002 0.000 1.145 79 S CA 0.233 58.437 58.200 0.006 0.000 1.444 79 S CB -0.210 62.998 63.200 0.012 0.000 0.843 79 S HN 0.783 nan 8.310 nan 0.000 0.406 80 E N 0.846 121.056 120.200 0.016 0.000 2.145 80 E HA 0.459 4.809 4.350 -0.000 0.000 0.262 80 E C -1.696 174.937 176.600 0.055 0.000 0.883 80 E CA -0.653 55.762 56.400 0.026 0.000 0.748 80 E CB 1.562 31.282 29.700 0.033 0.000 1.140 80 E HN 0.295 nan 8.360 nan 0.000 0.417 81 V N 5.916 125.868 119.914 0.064 0.000 2.408 81 V HA 0.313 4.433 4.120 -0.000 0.000 0.267 81 V C 0.320 176.571 176.094 0.262 0.000 1.047 81 V CA -0.073 62.307 62.300 0.134 0.000 0.937 81 V CB 0.562 32.434 31.823 0.082 0.000 0.999 81 V HN 0.636 nan 8.190 nan 0.000 0.472 82 R N 3.682 124.316 120.500 0.223 0.000 2.832 82 R HA 0.675 5.015 4.340 -0.000 0.000 0.271 82 R C -1.170 175.234 176.300 0.173 0.000 0.996 82 R CA -1.102 55.122 56.100 0.206 0.000 0.977 82 R CB 2.102 32.467 30.300 0.107 0.000 1.168 82 R HN 0.505 nan 8.270 nan 0.000 0.482 83 L N 1.897 123.138 121.223 0.029 0.000 2.275 83 L HA 0.358 4.698 4.340 -0.000 0.000 0.288 83 L C -0.781 176.025 176.870 -0.107 0.000 1.046 83 L CA -0.231 54.493 54.840 -0.194 0.000 0.805 83 L CB 1.113 42.872 42.059 -0.499 0.000 1.193 83 L HN 0.490 nan 8.230 nan 0.000 0.426 84 N N 4.589 123.235 118.700 -0.089 0.000 2.707 84 N HA 0.083 4.823 4.740 -0.000 0.000 0.235 84 N C 0.542 176.011 175.510 -0.069 0.000 1.028 84 N CA -0.395 52.624 53.050 -0.052 0.000 0.906 84 N CB 0.703 39.175 38.487 -0.024 0.000 1.131 84 N HN 0.764 nan 8.380 nan 0.000 0.509 85 L N 3.031 124.214 121.223 -0.067 0.000 2.131 85 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 85 L C 1.215 178.073 176.870 -0.020 0.000 1.092 85 L CA 1.805 56.616 54.840 -0.049 0.000 0.759 85 L CB -0.214 41.847 42.059 0.003 0.000 0.903 85 L HN 0.439 nan 8.230 nan 0.000 0.435 86 D N -0.392 120.000 120.400 -0.013 0.000 2.117 86 D HA -0.225 4.415 4.640 -0.000 0.000 0.197 86 D C 2.111 178.404 176.300 -0.011 0.000 0.987 86 D CA 1.278 55.274 54.000 -0.006 0.000 0.829 86 D CB 0.004 40.800 40.800 -0.006 0.000 0.961 86 D HN 0.214 nan 8.370 nan 0.000 0.460 87 K N 0.595 120.984 120.400 -0.018 0.000 2.057 87 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 87 K C 2.069 178.655 176.600 -0.023 0.000 1.050 87 K CA 0.670 56.946 56.287 -0.017 0.000 0.935 87 K CB -0.354 32.137 32.500 -0.015 0.000 0.715 87 K HN 0.068 nan 8.250 nan 0.000 0.439 88 M N -0.532 119.045 119.600 -0.039 0.000 2.117 88 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 88 M C 1.550 177.827 176.300 -0.038 0.000 1.065 88 M CA 1.489 56.759 55.300 -0.050 0.000 1.114 88 M CB -0.003 32.537 32.600 -0.099 0.000 1.361 88 M HN 0.142 nan 8.290 nan 0.000 0.408 89 M N -0.234 119.352 119.600 -0.024 0.000 2.296 89 M HA -0.176 4.304 4.480 -0.000 0.000 0.265 89 M C 1.919 178.215 176.300 -0.007 0.000 1.064 89 M CA 1.489 56.786 55.300 -0.005 0.000 1.109 89 M CB -1.306 31.305 32.600 0.019 0.000 1.396 89 M HN 0.465 nan 8.290 nan 0.000 0.430 90 E N -0.101 120.093 120.200 -0.010 0.000 2.072 90 E HA -0.207 4.143 4.350 -0.000 0.000 0.190 90 E C 2.038 178.631 176.600 -0.013 0.000 0.982 90 E CA 0.762 57.156 56.400 -0.010 0.000 0.803 90 E CB 0.067 29.761 29.700 -0.010 0.000 0.755 90 E HN 0.356 nan 8.360 nan 0.000 0.453 91 Q N 1.516 121.308 119.800 -0.014 0.000 2.135 91 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 91 Q C 2.044 178.035 176.000 -0.016 0.000 0.981 91 Q CA 1.634 57.429 55.803 -0.013 0.000 0.856 91 Q CB -0.178 28.555 28.738 -0.008 0.000 0.902 91 Q HN 0.203 nan 8.270 nan 0.000 0.425 92 K N -0.392 119.997 120.400 -0.018 0.000 2.025 92 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 92 K C 2.112 178.700 176.600 -0.020 0.000 1.049 92 K CA 1.545 57.820 56.287 -0.021 0.000 0.933 92 K CB 0.010 32.498 32.500 -0.020 0.000 0.714 92 K HN 0.078 nan 8.250 nan 0.000 0.438 93 S N 0.334 116.024 115.700 -0.016 0.000 2.382 93 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 93 S C 1.850 176.436 174.600 -0.023 0.000 1.027 93 S CA 1.672 59.861 58.200 -0.017 0.000 0.991 93 S CB -0.276 62.917 63.200 -0.012 0.000 0.823 93 S HN 0.442 nan 8.310 nan 0.000 0.469 94 T N 2.295 116.836 114.554 -0.022 0.000 2.777 94 T HA -0.011 4.339 4.350 -0.000 0.000 0.266 94 T C 2.164 176.845 174.700 -0.032 0.000 1.040 94 T CA 1.186 63.271 62.100 -0.025 0.000 1.141 94 T CB -0.443 68.413 68.868 -0.021 0.000 0.868 94 T HN 0.463 nan 8.240 nan 0.000 0.444 95 A N 1.001 123.802 122.820 -0.032 0.000 1.877 95 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 95 A C 2.576 180.130 177.584 -0.049 0.000 1.186 95 A CA 1.404 53.418 52.037 -0.039 0.000 0.620 95 A CB -1.046 17.933 19.000 -0.035 0.000 0.822 95 A HN 0.346 nan 8.150 nan 0.000 0.443 96 V N 0.429 120.316 119.914 -0.045 0.000 2.287 96 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 96 V C 2.567 178.624 176.094 -0.061 0.000 1.053 96 V CA 2.469 64.737 62.300 -0.053 0.000 1.027 96 V CB -0.703 31.095 31.823 -0.042 0.000 0.646 96 V HN 0.706 nan 8.190 nan 0.000 0.447 97 K N 0.289 120.659 120.400 -0.050 0.000 2.057 97 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 97 K C 2.186 178.748 176.600 -0.063 0.000 1.049 97 K CA 1.632 57.888 56.287 -0.052 0.000 0.931 97 K CB -0.343 32.135 32.500 -0.038 0.000 0.714 97 K HN 0.419 nan 8.250 nan 0.000 0.440 98 A N 1.159 123.943 122.820 -0.061 0.000 1.933 98 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 98 A C 2.092 179.619 177.584 -0.095 0.000 1.175 98 A CA 1.209 53.203 52.037 -0.070 0.000 0.628 98 A CB -0.459 18.505 19.000 -0.061 0.000 0.814 98 A HN 0.324 nan 8.150 nan 0.000 0.444 99 L N -0.301 120.862 121.223 -0.100 0.000 2.131 99 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 99 L C 2.969 179.729 176.870 -0.183 0.000 1.087 99 L CA 1.638 56.400 54.840 -0.130 0.000 0.767 99 L CB -0.792 41.201 42.059 -0.110 0.000 0.917 99 L HN 0.627 nan 8.230 nan 0.000 0.441 100 T N -3.211 111.245 114.554 -0.163 0.000 2.867 100 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 100 T C 1.924 176.508 174.700 -0.194 0.000 1.057 100 T CA 0.970 62.950 62.100 -0.200 0.000 1.136 100 T CB -0.722 68.060 68.868 -0.144 0.000 0.874 100 T HN 0.359 nan 8.240 nan 0.000 0.466 101 G N 1.152 109.871 108.800 -0.135 0.000 2.408 101 G HA2 0.128 4.088 3.960 -0.000 0.000 0.217 101 G HA3 0.128 4.088 3.960 -0.000 0.000 0.217 101 G C 1.696 176.529 174.900 -0.113 0.000 1.150 101 G CA 0.531 45.570 45.100 -0.102 0.000 0.776 101 G HN 0.637 nan 8.290 nan 0.000 0.542 102 G N 1.108 109.817 108.800 -0.150 0.000 2.422 102 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 102 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 102 G C 1.742 176.537 174.900 -0.175 0.000 1.146 102 G CA 0.765 45.769 45.100 -0.159 0.000 0.769 102 G HN 0.449 nan 8.290 nan 0.000 0.547 103 I N 1.316 121.676 120.570 -0.349 0.000 2.226 103 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 103 I C 3.302 179.098 176.117 -0.535 0.000 1.100 103 I CA 0.915 61.856 61.300 -0.598 0.000 1.374 103 I CB -0.271 37.157 38.000 -0.954 0.000 1.057 103 I HN 0.245 nan 8.210 nan 0.000 0.413 104 A N 0.578 123.197 122.820 -0.335 0.000 1.908 104 A HA -0.325 3.995 4.320 -0.000 0.000 0.218 104 A C 2.215 179.814 177.584 0.024 0.000 1.181 104 A CA 2.323 54.277 52.037 -0.138 0.000 0.627 104 A CB -1.229 17.749 19.000 -0.036 0.000 0.818 104 A HN 0.653 nan 8.150 nan 0.000 0.445 105 H N -0.547 118.483 119.070 -0.067 0.000 2.353 105 H HA -0.007 4.549 4.556 -0.000 0.000 0.300 105 H C 1.750 177.097 175.328 0.031 0.000 1.090 105 H CA 1.738 57.781 56.048 -0.008 0.000 1.327 105 H CB -0.222 29.525 29.762 -0.026 0.000 1.383 105 H HN 0.374 nan 8.280 nan 0.000 0.508 106 L N -0.547 120.809 121.223 0.221 0.000 2.093 106 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 106 L C 2.096 179.118 176.870 0.253 0.000 1.085 106 L CA 0.510 55.482 54.840 0.220 0.000 0.755 106 L CB -0.403 41.780 42.059 0.207 0.000 0.904 106 L HN 0.306 nan 8.230 nan 0.000 0.435 107 F N 0.855 120.817 119.950 0.019 0.000 2.102 107 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 107 F C 2.569 178.361 175.800 -0.014 0.000 1.105 107 F CA 1.096 59.105 58.000 0.015 0.000 1.239 107 F CB -0.774 38.233 39.000 0.011 0.000 0.991 107 F HN 0.013 nan 8.300 nan 0.000 0.474 108 K N 0.235 120.728 120.400 0.154 0.000 2.032 108 K HA -0.241 4.079 4.320 -0.000 0.000 0.209 108 K C 2.006 178.586 176.600 -0.033 0.000 1.048 108 K CA 1.391 57.695 56.287 0.028 0.000 0.927 108 K CB -0.965 31.513 32.500 -0.037 0.000 0.712 108 K HN 0.398 nan 8.250 nan 0.000 0.441 109 Q N 0.864 120.598 119.800 -0.111 0.000 2.181 109 Q HA -0.118 4.222 4.340 -0.000 0.000 0.205 109 Q C 1.091 177.081 176.000 -0.016 0.000 0.980 109 Q CA 1.283 57.021 55.803 -0.107 0.000 0.862 109 Q CB 0.110 28.745 28.738 -0.171 0.000 0.905 109 Q HN 0.271 nan 8.270 nan 0.000 0.429 110 N N -0.052 118.667 118.700 0.030 0.000 2.270 110 N HA 0.047 4.787 4.740 -0.000 0.000 0.198 110 N C -0.528 174.989 175.510 0.013 0.000 1.117 110 N CA 0.254 53.327 53.050 0.037 0.000 0.845 110 N CB 0.600 39.134 38.487 0.078 0.000 0.980 110 N HN 0.185 nan 8.380 nan 0.000 0.486 111 K N -0.436 119.967 120.400 0.005 0.000 3.339 111 K HA -0.111 4.209 4.320 -0.000 0.000 0.299 111 K C -0.621 175.955 176.600 -0.040 0.000 1.270 111 K CA 0.154 56.435 56.287 -0.010 0.000 0.875 111 K CB -1.645 30.850 32.500 -0.008 0.000 1.298 111 K HN -0.060 nan 8.250 nan 0.000 0.485 112 V N 1.618 121.485 119.914 -0.079 0.000 2.555 112 V HA 0.113 4.233 4.120 -0.000 0.000 0.286 112 V C 0.707 176.700 176.094 -0.169 0.000 1.044 112 V CA -0.450 61.713 62.300 -0.229 0.000 1.026 112 V CB 1.557 33.019 31.823 -0.602 0.000 0.981 112 V HN 0.038 nan 8.190 nan 0.000 0.480 113 V N 5.727 125.562 119.914 -0.133 0.000 2.385 113 V HA 0.202 4.322 4.120 -0.000 0.000 0.269 113 V C 0.269 176.364 176.094 0.002 0.000 1.043 113 V CA -0.420 61.856 62.300 -0.039 0.000 0.906 113 V CB 0.735 32.544 31.823 -0.023 0.000 0.995 113 V HN 0.895 nan 8.190 nan 0.000 0.467 114 H N 4.770 123.825 119.070 -0.024 0.000 2.604 114 H HA 0.563 5.119 4.556 -0.000 0.000 0.306 114 H C -1.187 174.164 175.328 0.037 0.000 1.075 114 H CA -0.688 55.386 56.048 0.045 0.000 1.357 114 H CB 1.434 31.302 29.762 0.178 0.000 1.426 114 H HN 0.450 nan 8.280 nan 0.000 0.470 115 V N 6.268 126.300 119.914 0.196 0.000 2.409 115 V HA 0.051 4.171 4.120 -0.000 0.000 0.291 115 V C 0.142 176.269 176.094 0.054 0.000 1.020 115 V CA -0.958 61.352 62.300 0.017 0.000 0.848 115 V CB 1.299 33.147 31.823 0.042 0.000 0.990 115 V HN 0.776 nan 8.190 nan 0.000 0.430 116 N N 3.523 122.155 118.700 -0.114 0.000 2.434 116 N HA 0.689 5.429 4.740 -0.000 0.000 0.272 116 N C -0.021 175.515 175.510 0.043 0.000 1.040 116 N CA 0.831 53.884 53.050 0.005 0.000 0.956 116 N CB 1.700 40.145 38.487 -0.070 0.000 1.108 116 N HN 1.013 nan 8.380 nan 0.000 0.481 117 G N 1.857 110.708 108.800 0.086 0.000 2.336 117 G HA2 0.077 4.037 3.960 -0.000 0.000 0.300 117 G HA3 0.077 4.037 3.960 -0.000 0.000 0.300 117 G C -2.259 172.718 174.900 0.128 0.000 1.375 117 G CA -0.873 44.291 45.100 0.105 0.000 0.885 117 G HN 0.379 nan 8.290 nan 0.000 0.599 118 Y N 1.462 121.799 120.300 0.062 0.000 2.383 118 Y HA 0.537 5.087 4.550 0.000 0.000 0.344 118 Y C 0.930 176.869 175.900 0.064 0.000 0.986 118 Y CA 0.421 58.566 58.100 0.074 0.000 1.175 118 Y CB 1.045 39.548 38.460 0.072 0.000 1.152 118 Y HN 0.761 nan 8.280 nan 0.000 0.511 119 G N 5.766 114.605 108.800 0.064 0.000 2.390 119 G HA2 0.375 4.335 3.960 -0.000 0.000 0.270 119 G HA3 0.375 4.335 3.960 -0.000 0.000 0.270 119 G C -1.281 173.724 174.900 0.175 0.000 1.211 119 G CA -0.689 44.474 45.100 0.105 0.000 0.842 119 G HN 0.618 nan 8.290 nan 0.000 0.519 120 K N 2.382 122.870 120.400 0.146 0.000 2.482 120 K HA 0.384 4.704 4.320 -0.000 0.000 0.251 120 K C -0.464 176.178 176.600 0.070 0.000 0.936 120 K CA -0.873 55.489 56.287 0.124 0.000 0.791 120 K CB 1.638 34.211 32.500 0.123 0.000 1.213 120 K HN 0.400 nan 8.250 nan 0.000 0.428 121 I N 4.613 125.214 120.570 0.051 0.000 2.421 121 I HA 0.006 4.176 4.170 -0.000 0.000 0.291 121 I C 1.225 177.358 176.117 0.027 0.000 1.089 121 I CA -0.016 61.304 61.300 0.033 0.000 1.354 121 I CB 0.896 38.911 38.000 0.025 0.000 1.413 121 I HN 0.756 nan 8.210 nan 0.000 0.513 122 T N 1.301 115.870 114.554 0.025 0.000 3.122 122 T HA 0.421 4.771 4.350 -0.000 0.000 0.250 122 T C 0.563 175.271 174.700 0.012 0.000 1.067 122 T CA -0.172 61.939 62.100 0.019 0.000 0.966 122 T CB 0.272 69.152 68.868 0.020 0.000 1.002 122 T HN 0.790 nan 8.240 nan 0.000 0.542 123 G N 0.109 108.915 108.800 0.011 0.000 2.387 123 G HA2 0.321 4.281 3.960 -0.000 0.000 0.294 123 G HA3 0.321 4.281 3.960 -0.000 0.000 0.294 123 G C -0.060 174.844 174.900 0.006 0.000 1.509 123 G CA -0.866 44.238 45.100 0.007 0.000 0.806 123 G HN -0.060 nan 8.290 nan 0.000 0.546 124 K N -0.450 119.952 120.400 0.003 0.000 2.160 124 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 124 K C 0.792 177.396 176.600 0.005 0.000 1.047 124 K CA 1.307 57.595 56.287 0.001 0.000 0.930 124 K CB 0.046 32.544 32.500 -0.003 0.000 0.720 124 K HN 0.377 nan 8.250 nan 0.000 0.450 125 N N 0.442 119.147 118.700 0.007 0.000 2.433 125 N HA 0.035 4.775 4.740 -0.000 0.000 0.270 125 N C -1.128 174.388 175.510 0.009 0.000 1.354 125 N CA 0.064 53.119 53.050 0.009 0.000 0.889 125 N CB 1.241 39.733 38.487 0.009 0.000 1.285 125 N HN 0.183 nan 8.380 nan 0.000 0.503 126 Q N 0.775 120.582 119.800 0.011 0.000 2.295 126 Q HA 0.369 4.709 4.340 -0.000 0.000 0.268 126 Q C -1.934 174.076 176.000 0.017 0.000 1.010 126 Q CA -0.458 55.352 55.803 0.013 0.000 0.856 126 Q CB 2.404 31.149 28.738 0.012 0.000 1.349 126 Q HN -0.114 nan 8.270 nan 0.000 0.412 127 V N 2.292 122.218 119.914 0.019 0.000 2.604 127 V HA 0.587 4.707 4.120 -0.000 0.000 0.305 127 V C -0.529 175.585 176.094 0.032 0.000 1.043 127 V CA -0.492 61.825 62.300 0.028 0.000 0.888 127 V CB 2.164 34.003 31.823 0.026 0.000 0.995 127 V HN 0.830 nan 8.190 nan 0.000 0.429 128 T N 3.815 118.395 114.554 0.044 0.000 2.792 128 T HA 0.693 5.043 4.350 -0.000 0.000 0.280 128 T C -0.119 174.623 174.700 0.069 0.000 0.990 128 T CA -0.278 61.850 62.100 0.047 0.000 0.960 128 T CB 1.517 70.409 68.868 0.041 0.000 0.939 128 T HN 0.921 nan 8.240 nan 0.000 0.439 129 A N 2.991 125.850 122.820 0.064 0.000 2.288 129 A HA 0.680 5.000 4.320 -0.000 0.000 0.320 129 A C 0.221 177.854 177.584 0.083 0.000 1.217 129 A CA -0.629 51.459 52.037 0.085 0.000 0.840 129 A CB 0.480 19.520 19.000 0.066 0.000 1.179 129 A HN 0.687 nan 8.150 nan 0.000 0.504 130 T N 3.843 118.466 114.554 0.117 0.000 2.772 130 T HA 0.348 4.698 4.350 -0.000 0.000 0.288 130 T C 0.168 174.929 174.700 0.101 0.000 0.994 130 T CA -0.447 61.707 62.100 0.090 0.000 0.951 130 T CB 0.721 69.634 68.868 0.074 0.000 0.933 130 T HN 0.720 nan 8.240 nan 0.000 0.447 131 K N 1.431 121.871 120.400 0.066 0.000 2.140 131 K HA 0.610 4.930 4.320 -0.000 0.000 0.237 131 K C 1.706 178.339 176.600 0.054 0.000 1.045 131 K CA -0.743 55.580 56.287 0.059 0.000 0.896 131 K CB 0.355 32.875 32.500 0.033 0.000 1.122 131 K HN 0.460 nan 8.250 nan 0.000 0.503 132 A N 1.642 124.491 122.820 0.048 0.000 1.859 132 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 132 A C 1.390 178.989 177.584 0.026 0.000 1.198 132 A CA 2.389 54.449 52.037 0.040 0.000 0.629 132 A CB -1.169 17.851 19.000 0.034 0.000 0.830 132 A HN 0.928 nan 8.150 nan 0.000 0.446 133 D N -1.911 118.501 120.400 0.020 0.000 2.348 133 D HA 0.331 4.971 4.640 -0.000 0.000 0.248 133 D C 1.080 177.388 176.300 0.012 0.000 1.142 133 D CA 0.981 54.989 54.000 0.014 0.000 0.904 133 D CB -0.664 40.142 40.800 0.010 0.000 0.901 133 D HN 0.832 nan 8.370 nan 0.000 0.523 134 G N -0.975 107.835 108.800 0.016 0.000 2.245 134 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.264 134 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.264 134 G C 0.763 175.673 174.900 0.015 0.000 0.985 134 G CA -0.007 45.101 45.100 0.013 0.000 0.625 134 G HN 0.843 nan 8.290 nan 0.000 0.536 135 G N 0.015 108.824 108.800 0.016 0.000 2.614 135 G HA2 0.581 4.541 3.960 -0.000 0.000 0.239 135 G HA3 0.581 4.541 3.960 -0.000 0.000 0.239 135 G C 0.423 175.335 174.900 0.021 0.000 1.240 135 G CA 1.425 46.534 45.100 0.014 0.000 0.842 135 G HN 1.561 nan 8.290 nan 0.000 0.584 136 T N -2.094 112.471 114.554 0.018 0.000 2.887 136 T HA 0.655 5.005 4.350 -0.000 0.000 0.292 136 T C -0.793 173.919 174.700 0.019 0.000 1.087 136 T CA -0.888 61.227 62.100 0.024 0.000 1.009 136 T CB 2.335 71.217 68.868 0.024 0.000 1.203 136 T HN 0.638 nan 8.240 nan 0.000 0.518 137 Q N 0.765 120.579 119.800 0.023 0.000 2.271 137 Q HA 0.607 4.947 4.340 -0.000 0.000 0.268 137 Q C -1.999 174.014 176.000 0.021 0.000 1.021 137 Q CA -0.635 55.178 55.803 0.017 0.000 0.802 137 Q CB 2.021 30.767 28.738 0.013 0.000 1.282 137 Q HN 0.743 nan 8.270 nan 0.000 0.431 138 V N 5.400 125.324 119.914 0.016 0.000 2.472 138 V HA 0.583 4.703 4.120 -0.000 0.000 0.290 138 V C -0.416 175.686 176.094 0.013 0.000 1.037 138 V CA -0.534 61.775 62.300 0.016 0.000 0.908 138 V CB 1.452 33.283 31.823 0.014 0.000 0.985 138 V HN 0.759 nan 8.190 nan 0.000 0.454 139 I N 3.864 124.442 120.570 0.014 0.000 2.439 139 I HA 0.373 4.543 4.170 -0.000 0.000 0.285 139 I C -0.476 175.646 176.117 0.008 0.000 1.021 139 I CA -0.235 61.071 61.300 0.009 0.000 1.091 139 I CB 1.644 39.649 38.000 0.007 0.000 1.242 139 I HN 0.462 nan 8.210 nan 0.000 0.439 140 D N 4.737 125.140 120.400 0.006 0.000 2.280 140 D HA 0.324 4.964 4.640 -0.000 0.000 0.243 140 D C -0.128 176.175 176.300 0.004 0.000 1.129 140 D CA 0.163 54.167 54.000 0.007 0.000 0.848 140 D CB 1.990 42.795 40.800 0.007 0.000 1.107 140 D HN 0.415 nan 8.370 nan 0.000 0.471 141 T N 0.914 115.470 114.554 0.003 0.000 2.916 141 T HA 0.198 4.548 4.350 -0.000 0.000 0.305 141 T C 0.896 175.595 174.700 -0.001 0.000 1.119 141 T CA -0.636 61.462 62.100 -0.004 0.000 1.008 141 T CB 1.663 70.523 68.868 -0.013 0.000 1.129 141 T HN 0.133 nan 8.240 nan 0.000 0.480 142 K N 1.762 122.159 120.400 -0.006 0.000 2.025 142 K HA 0.114 4.434 4.320 -0.000 0.000 0.207 142 K C 0.564 177.167 176.600 0.005 0.000 1.049 142 K CA 0.953 57.242 56.287 0.003 0.000 0.933 142 K CB 0.089 32.593 32.500 0.006 0.000 0.714 142 K HN 0.488 nan 8.250 nan 0.000 0.438 143 N N 0.171 118.855 118.700 -0.026 0.000 2.240 143 N HA 0.357 5.097 4.740 -0.000 0.000 0.302 143 N C -1.027 174.485 175.510 0.004 0.000 1.106 143 N CA -0.473 52.583 53.050 0.010 0.000 0.778 143 N CB 2.380 40.828 38.487 -0.065 0.000 1.431 143 N HN -0.082 nan 8.380 nan 0.000 0.479 144 I N 1.570 122.189 120.570 0.082 0.000 2.465 144 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 144 I C -0.951 175.234 176.117 0.114 0.000 1.014 144 I CA -0.871 60.465 61.300 0.060 0.000 1.093 144 I CB 2.059 40.090 38.000 0.052 0.000 1.267 144 I HN 0.182 nan 8.210 nan 0.000 0.431 145 L N 8.285 129.533 121.223 0.041 0.000 2.319 145 L HA 0.558 4.898 4.340 -0.000 0.000 0.281 145 L C -0.718 176.177 176.870 0.042 0.000 1.005 145 L CA -0.188 54.680 54.840 0.047 0.000 0.828 145 L CB 1.109 43.135 42.059 -0.055 0.000 1.227 145 L HN 0.387 nan 8.230 nan 0.000 0.415 146 I N 5.550 126.162 120.570 0.071 0.000 2.337 146 I HA 0.452 4.622 4.170 -0.000 0.000 0.291 146 I C 0.592 176.738 176.117 0.049 0.000 1.046 146 I CA 0.098 61.431 61.300 0.054 0.000 1.324 146 I CB 1.322 39.357 38.000 0.058 0.000 1.409 146 I HN 0.835 nan 8.210 nan 0.000 0.494 147 A N 3.605 126.448 122.820 0.039 0.000 2.806 147 A HA 0.192 4.512 4.320 -0.000 0.000 0.266 147 A C 1.062 178.677 177.584 0.053 0.000 0.926 147 A CA -0.266 51.792 52.037 0.036 0.000 1.068 147 A CB -0.389 18.622 19.000 0.017 0.000 1.189 147 A HN 0.730 nan 8.150 nan 0.000 0.481 148 T N -3.183 111.416 114.554 0.075 0.000 3.163 148 T HA 0.384 4.734 4.350 -0.000 0.000 0.260 148 T C 1.486 176.288 174.700 0.170 0.000 1.156 148 T CA 1.206 63.382 62.100 0.127 0.000 1.072 148 T CB -0.361 68.599 68.868 0.152 0.000 0.937 148 T HN 1.979 nan 8.240 nan 0.000 0.528 149 G N 1.667 110.535 108.800 0.114 0.000 2.547 149 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.271 149 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.271 149 G C 0.049 175.031 174.900 0.138 0.000 1.209 149 G CA 0.440 45.597 45.100 0.096 0.000 0.959 149 G HN 1.592 nan 8.290 nan 0.000 0.563 150 S N -0.535 115.223 115.700 0.096 0.000 2.732 150 S HA 0.832 5.302 4.470 -0.000 0.000 0.293 150 S C -0.642 173.985 174.600 0.045 0.000 1.159 150 S CA 0.377 58.642 58.200 0.109 0.000 0.847 150 S CB 2.478 65.717 63.200 0.066 0.000 1.169 150 S HN 1.748 nan 8.310 nan 0.000 0.501 151 E N -0.551 119.689 120.200 0.068 0.000 2.433 151 E HA 0.634 4.984 4.350 -0.000 0.000 0.278 151 E C -1.404 175.225 176.600 0.047 0.000 0.976 151 E CA -1.261 55.150 56.400 0.019 0.000 0.793 151 E CB 1.431 31.164 29.700 0.054 0.000 1.311 151 E HN 0.399 nan 8.360 nan 0.000 0.460 152 V N 1.420 121.355 119.914 0.035 0.000 2.763 152 V HA 0.074 4.194 4.120 -0.000 0.000 0.306 152 V C 0.202 176.334 176.094 0.063 0.000 1.059 152 V CA 0.264 62.594 62.300 0.049 0.000 1.138 152 V CB 1.124 32.974 31.823 0.045 0.000 0.940 152 V HN 0.715 nan 8.190 nan 0.000 0.489 153 T N 7.553 122.146 114.554 0.065 0.000 2.794 153 T HA 0.291 4.641 4.350 -0.000 0.000 0.296 153 T C -2.049 172.694 174.700 0.073 0.000 0.949 153 T CA -0.542 61.594 62.100 0.060 0.000 1.101 153 T CB 1.035 69.930 68.868 0.046 0.000 0.905 153 T HN 0.621 nan 8.240 nan 0.000 0.516 154 P HA 0.313 nan 4.420 nan 0.000 0.276 154 P C -0.990 176.376 177.300 0.109 0.000 1.244 154 P CA -0.675 62.481 63.100 0.093 0.000 0.801 154 P CB 0.696 32.441 31.700 0.074 0.000 1.006 155 F N 3.842 123.795 119.950 0.005 0.000 2.334 155 F HA 0.341 4.868 4.527 -0.000 0.000 0.367 155 F C -1.970 173.829 175.800 -0.002 0.000 1.115 155 F CA -2.999 54.999 58.000 -0.002 0.000 1.116 155 F CB 0.661 39.662 39.000 0.003 0.000 1.230 155 F HN 0.122 nan 8.300 nan 0.000 0.484 156 P HA 0.161 nan 4.420 nan 0.000 0.261 156 P C 0.608 178.008 177.300 0.168 0.000 1.183 156 P CA 1.172 64.285 63.100 0.022 0.000 0.761 156 P CB 0.817 32.461 31.700 -0.093 0.000 0.785 157 G N 3.062 111.957 108.800 0.159 0.000 2.232 157 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.226 157 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.226 157 G C -0.000 174.991 174.900 0.152 0.000 0.996 157 G CA -0.278 44.916 45.100 0.157 0.000 0.626 157 G HN 0.533 nan 8.290 nan 0.000 0.509 158 I N 2.271 122.961 120.570 0.202 0.000 2.410 158 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 158 I C -0.288 175.870 176.117 0.067 0.000 1.009 158 I CA -0.596 60.747 61.300 0.072 0.000 1.111 158 I CB 2.021 39.971 38.000 -0.083 0.000 1.262 158 I HN -0.021 nan 8.210 nan 0.000 0.443 159 T N 7.095 121.667 114.554 0.029 0.000 2.728 159 T HA 0.473 4.823 4.350 -0.000 0.000 0.296 159 T C 0.215 174.919 174.700 0.007 0.000 0.940 159 T CA -0.259 61.856 62.100 0.026 0.000 1.013 159 T CB 0.507 69.385 68.868 0.018 0.000 0.912 159 T HN 0.271 nan 8.240 nan 0.000 0.484 160 I N 3.869 124.448 120.570 0.015 0.000 2.496 160 I HA 0.147 4.317 4.170 -0.000 0.000 0.285 160 I C 0.738 176.853 176.117 -0.003 0.000 1.080 160 I CA -0.126 61.175 61.300 0.001 0.000 1.404 160 I CB 0.825 38.832 38.000 0.013 0.000 1.403 160 I HN 0.717 nan 8.210 nan 0.000 0.539 161 D N 3.812 124.203 120.400 -0.016 0.000 2.500 161 D HA -0.004 4.636 4.640 -0.000 0.000 0.217 161 D C 0.309 176.596 176.300 -0.022 0.000 1.159 161 D CA -0.185 53.806 54.000 -0.016 0.000 0.828 161 D CB 0.222 41.010 40.800 -0.021 0.000 1.039 161 D HN 0.384 nan 8.370 nan 0.000 0.512 162 E N -0.173 120.011 120.200 -0.027 0.000 2.722 162 E HA -0.252 4.098 4.350 -0.000 0.000 0.265 162 E C 0.045 176.617 176.600 -0.047 0.000 1.081 162 E CA 1.387 57.768 56.400 -0.032 0.000 0.781 162 E CB -1.458 28.230 29.700 -0.020 0.000 1.372 162 E HN 0.606 nan 8.360 nan 0.000 0.423 163 D N -0.905 119.462 120.400 -0.055 0.000 3.136 163 D HA 0.078 4.718 4.640 -0.000 0.000 0.254 163 D C 1.676 177.923 176.300 -0.088 0.000 1.563 163 D CA 2.046 56.007 54.000 -0.065 0.000 1.225 163 D CB -0.144 40.626 40.800 -0.051 0.000 1.079 163 D HN 0.114 nan 8.370 nan 0.000 0.314 164 T N -1.653 112.852 114.554 -0.082 0.000 2.990 164 T HA 0.359 4.709 4.350 -0.000 0.000 0.249 164 T C 0.944 175.586 174.700 -0.097 0.000 1.039 164 T CA -0.147 61.894 62.100 -0.098 0.000 1.036 164 T CB 0.419 69.236 68.868 -0.085 0.000 0.994 164 T HN 0.118 nan 8.240 nan 0.000 0.489 165 I N 3.617 124.141 120.570 -0.077 0.000 2.371 165 I HA 0.508 4.678 4.170 -0.000 0.000 0.282 165 I C -0.522 175.560 176.117 -0.059 0.000 1.031 165 I CA -1.222 60.034 61.300 -0.072 0.000 1.180 165 I CB 1.648 39.611 38.000 -0.062 0.000 1.336 165 I HN 0.115 nan 8.210 nan 0.000 0.467 166 V N 2.561 122.437 119.914 -0.062 0.000 2.960 166 V HA 0.779 4.899 4.120 -0.000 0.000 0.315 166 V C 0.141 176.225 176.094 -0.018 0.000 1.087 166 V CA -0.509 61.764 62.300 -0.044 0.000 0.982 166 V CB 1.714 33.499 31.823 -0.064 0.000 1.039 166 V HN 0.684 nan 8.190 nan 0.000 0.437 167 S N 0.980 116.681 115.700 0.001 0.000 2.745 167 S HA 0.385 4.855 4.470 -0.000 0.000 0.292 167 S C 1.440 176.060 174.600 0.033 0.000 1.127 167 S CA 0.134 58.348 58.200 0.024 0.000 1.007 167 S CB 1.032 64.249 63.200 0.028 0.000 1.165 167 S HN 1.905 nan 8.310 nan 0.000 0.544 168 S N 0.100 115.831 115.700 0.051 0.000 2.402 168 S HA -0.151 4.319 4.470 -0.000 0.000 0.233 168 S C 1.672 176.308 174.600 0.060 0.000 1.030 168 S CA 1.796 60.037 58.200 0.068 0.000 1.003 168 S CB -1.674 61.570 63.200 0.073 0.000 0.813 168 S HN 0.773 nan 8.310 nan 0.000 0.477 169 T N 1.973 116.549 114.554 0.037 0.000 2.708 169 T HA 0.044 4.394 4.350 -0.000 0.000 0.266 169 T C 2.068 176.784 174.700 0.028 0.000 1.037 169 T CA 1.463 63.579 62.100 0.028 0.000 1.146 169 T CB -1.103 67.771 68.868 0.010 0.000 0.865 169 T HN 0.645 nan 8.240 nan 0.000 0.435 170 G N 0.917 109.724 108.800 0.012 0.000 2.408 170 G HA2 0.008 3.968 3.960 -0.000 0.000 0.217 170 G HA3 0.008 3.968 3.960 -0.000 0.000 0.217 170 G C 1.804 176.702 174.900 -0.004 0.000 1.150 170 G CA 0.803 45.898 45.100 -0.008 0.000 0.776 170 G HN 0.570 nan 8.290 nan 0.000 0.542 171 A N 0.436 123.268 122.820 0.021 0.000 2.019 171 A HA 0.154 4.474 4.320 -0.000 0.000 0.219 171 A C 2.295 180.041 177.584 0.269 0.000 1.164 171 A CA 0.894 52.972 52.037 0.068 0.000 0.644 171 A CB -0.286 18.782 19.000 0.114 0.000 0.805 171 A HN 0.364 nan 8.150 nan 0.000 0.449 172 L N -0.779 120.557 121.223 0.188 0.000 2.478 172 L HA 0.007 4.347 4.340 -0.000 0.000 0.223 172 L C 1.149 178.131 176.870 0.187 0.000 1.140 172 L CA 0.802 55.756 54.840 0.191 0.000 0.842 172 L CB 0.129 42.246 42.059 0.098 0.000 0.953 172 L HN 0.243 nan 8.230 nan 0.000 0.452 173 S N -0.407 115.379 115.700 0.144 0.000 2.855 173 S HA 0.313 4.783 4.470 -0.000 0.000 0.249 173 S C 0.368 175.005 174.600 0.063 0.000 1.033 173 S CA -0.491 57.770 58.200 0.102 0.000 1.038 173 S CB 0.284 63.511 63.200 0.045 0.000 0.960 173 S HN 0.096 nan 8.310 nan 0.000 0.548 174 L N 2.246 123.490 121.223 0.036 0.000 2.578 174 L HA 0.047 4.387 4.340 -0.000 0.000 0.279 174 L C 1.324 178.163 176.870 -0.052 0.000 1.227 174 L CA 0.216 54.957 54.840 -0.165 0.000 0.900 174 L CB 0.362 42.022 42.059 -0.665 0.000 1.144 174 L HN 0.235 nan 8.230 nan 0.000 0.496 175 K N 2.676 123.030 120.400 -0.076 0.000 2.217 175 K HA -0.068 4.252 4.320 -0.000 0.000 0.202 175 K C 0.083 176.666 176.600 -0.029 0.000 1.051 175 K CA 0.975 57.241 56.287 -0.034 0.000 0.952 175 K CB -0.016 32.457 32.500 -0.045 0.000 0.736 175 K HN 0.553 nan 8.250 nan 0.000 0.453 176 K N -0.964 119.387 120.400 -0.081 0.000 2.556 176 K HA 0.295 4.615 4.320 -0.000 0.000 0.274 176 K C -0.968 175.561 176.600 -0.118 0.000 0.966 176 K CA -0.938 55.318 56.287 -0.053 0.000 0.865 176 K CB 1.669 34.135 32.500 -0.057 0.000 1.444 176 K HN -0.301 nan 8.250 nan 0.000 0.433 177 V N 3.193 123.110 119.914 0.006 0.000 2.485 177 V HA 0.145 4.265 4.120 -0.000 0.000 0.287 177 V C -1.696 174.339 176.094 -0.098 0.000 1.022 177 V CA -0.905 61.417 62.300 0.036 0.000 1.067 177 V CB 0.062 31.969 31.823 0.141 0.000 0.967 177 V HN 0.743 nan 8.190 nan 0.000 0.479 178 P HA 0.120 nan 4.420 nan 0.000 0.275 178 P C 0.572 177.811 177.300 -0.102 0.000 1.227 178 P CA -0.301 62.689 63.100 -0.183 0.000 0.781 178 P CB 1.053 32.592 31.700 -0.269 0.000 0.906 179 E N 2.793 122.943 120.200 -0.082 0.000 2.106 179 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 179 E C 0.182 176.744 176.600 -0.063 0.000 0.984 179 E CA 0.831 57.197 56.400 -0.056 0.000 0.806 179 E CB 0.133 29.805 29.700 -0.046 0.000 0.750 179 E HN 0.324 nan 8.360 nan 0.000 0.458 180 K N 0.321 120.673 120.400 -0.080 0.000 2.482 180 K HA 0.409 4.729 4.320 -0.000 0.000 0.251 180 K C -1.661 174.875 176.600 -0.106 0.000 0.936 180 K CA -0.654 55.583 56.287 -0.083 0.000 0.791 180 K CB 1.932 34.392 32.500 -0.068 0.000 1.213 180 K HN 0.097 nan 8.250 nan 0.000 0.428 181 M N 4.106 123.637 119.600 -0.115 0.000 2.327 181 M HA 0.405 4.885 4.480 -0.000 0.000 0.298 181 M C -1.748 174.487 176.300 -0.107 0.000 1.065 181 M CA -0.870 54.354 55.300 -0.128 0.000 0.916 181 M CB 1.857 34.364 32.600 -0.154 0.000 1.630 181 M HN 0.321 nan 8.290 nan 0.000 0.442 182 V N 5.068 124.928 119.914 -0.090 0.000 2.459 182 V HA 0.551 4.671 4.120 -0.000 0.000 0.295 182 V C -0.731 175.336 176.094 -0.045 0.000 1.029 182 V CA -0.662 61.601 62.300 -0.063 0.000 0.874 182 V CB 1.954 33.742 31.823 -0.059 0.000 0.985 182 V HN 0.685 nan 8.190 nan 0.000 0.438 183 V N 6.228 126.141 119.914 -0.001 0.000 2.417 183 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 183 V C -0.057 176.077 176.094 0.066 0.000 1.024 183 V CA -0.490 61.836 62.300 0.044 0.000 0.861 183 V CB 1.738 33.628 31.823 0.112 0.000 0.985 183 V HN 0.652 nan 8.190 nan 0.000 0.436 184 I N 4.621 125.221 120.570 0.050 0.000 2.301 184 I HA 0.653 4.823 4.170 -0.000 0.000 0.292 184 I C 0.801 177.000 176.117 0.136 0.000 1.046 184 I CA 0.047 61.393 61.300 0.076 0.000 1.282 184 I CB 0.839 38.844 38.000 0.009 0.000 1.409 184 I HN 0.900 nan 8.210 nan 0.000 0.484 185 G N 4.569 113.466 108.800 0.162 0.000 3.355 185 G HA2 0.090 4.050 3.960 -0.000 0.000 0.686 185 G HA3 0.090 4.050 3.960 -0.000 0.000 0.686 185 G C -0.344 174.664 174.900 0.180 0.000 1.097 185 G CA -0.383 44.816 45.100 0.165 0.000 0.881 185 G HN 0.933 nan 8.290 nan 0.000 0.550 186 A N 1.925 124.842 122.820 0.163 0.000 3.282 186 A HA 0.780 5.100 4.320 -0.000 0.000 0.287 186 A C 1.344 179.007 177.584 0.132 0.000 1.366 186 A CA 1.075 53.226 52.037 0.189 0.000 1.069 186 A CB -0.257 18.851 19.000 0.179 0.000 1.109 186 A HN 2.060 nan 8.150 nan 0.000 0.638 187 G N -0.942 107.951 108.800 0.156 0.000 2.509 187 G HA2 0.371 4.331 3.960 -0.000 0.000 0.269 187 G HA3 0.371 4.331 3.960 -0.000 0.000 0.269 187 G C 1.061 176.089 174.900 0.214 0.000 1.416 187 G CA 0.266 45.465 45.100 0.164 0.000 1.052 187 G HN 0.202 nan 8.290 nan 0.000 0.542 188 V N 0.097 120.140 119.914 0.215 0.000 2.343 188 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 188 V C 2.794 179.025 176.094 0.228 0.000 1.051 188 V CA 1.513 63.953 62.300 0.233 0.000 1.036 188 V CB -0.725 31.217 31.823 0.198 0.000 0.654 188 V HN 0.536 nan 8.190 nan 0.000 0.451 189 I N 0.806 121.492 120.570 0.193 0.000 2.252 189 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 189 I C 2.611 178.857 176.117 0.215 0.000 1.102 189 I CA 1.608 63.019 61.300 0.184 0.000 1.385 189 I CB -0.899 37.189 38.000 0.147 0.000 1.064 189 I HN 0.411 nan 8.210 nan 0.000 0.414 190 G N 0.532 109.468 108.800 0.227 0.000 2.459 190 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 190 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 190 G C 1.696 176.829 174.900 0.389 0.000 1.183 190 G CA 0.980 46.244 45.100 0.273 0.000 0.776 190 G HN 0.238 nan 8.290 nan 0.000 0.552 191 V N 0.535 120.675 119.914 0.377 0.000 2.427 191 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 191 V C 2.673 179.036 176.094 0.449 0.000 1.051 191 V CA 2.135 64.694 62.300 0.432 0.000 1.048 191 V CB -0.406 31.606 31.823 0.315 0.000 0.666 191 V HN 0.456 nan 8.190 nan 0.000 0.456 192 E N 0.019 120.422 120.200 0.339 0.000 2.015 192 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 192 E C 2.246 178.973 176.600 0.211 0.000 0.991 192 E CA 1.310 57.874 56.400 0.274 0.000 0.802 192 E CB -0.169 29.671 29.700 0.234 0.000 0.759 192 E HN 0.463 nan 8.360 nan 0.000 0.447 193 L N 0.189 121.535 121.223 0.204 0.000 2.141 193 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 193 L C 2.533 179.518 176.870 0.192 0.000 1.094 193 L CA 0.947 55.898 54.840 0.185 0.000 0.763 193 L CB -0.698 41.499 42.059 0.230 0.000 0.908 193 L HN 0.258 nan 8.230 nan 0.000 0.437 194 G N -0.793 108.118 108.800 0.184 0.000 2.418 194 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 194 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 194 G C 1.821 176.567 174.900 -0.256 0.000 1.158 194 G CA 1.030 46.083 45.100 -0.078 0.000 0.771 194 G HN 0.321 nan 8.290 nan 0.000 0.545 195 S N -0.505 115.221 115.700 0.043 0.000 2.368 195 S HA -0.095 4.375 4.470 -0.000 0.000 0.224 195 S C 2.553 177.118 174.600 -0.059 0.000 1.029 195 S CA 1.345 59.577 58.200 0.055 0.000 0.988 195 S CB -0.292 63.068 63.200 0.267 0.000 0.838 195 S HN 0.135 nan 8.310 nan 0.000 0.462 196 V N 0.230 120.085 119.914 -0.098 0.000 2.231 196 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 196 V C 2.002 177.822 176.094 -0.457 0.000 1.054 196 V CA 2.156 64.272 62.300 -0.307 0.000 1.015 196 V CB -0.943 30.593 31.823 -0.479 0.000 0.638 196 V HN 0.675 nan 8.190 nan 0.000 0.444 197 W N -0.554 120.686 121.300 -0.099 0.000 2.425 197 W HA -0.124 4.536 4.660 0.000 0.000 0.277 197 W C 2.668 179.090 176.519 -0.163 0.000 1.231 197 W CA 1.163 58.430 57.345 -0.130 0.000 1.248 197 W CB -0.285 29.093 29.460 -0.135 0.000 1.117 197 W HN 0.194 nan 8.180 nan 0.000 0.568 198 Q N 1.322 121.074 119.800 -0.080 0.000 2.046 198 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 198 Q C 2.009 177.941 176.000 -0.114 0.000 0.975 198 Q CA 1.604 57.318 55.803 -0.147 0.000 0.836 198 Q CB -0.276 28.293 28.738 -0.281 0.000 0.896 198 Q HN 0.319 nan 8.270 nan 0.000 0.428 199 R N -0.083 120.339 120.500 -0.130 0.000 2.120 199 R HA -0.031 4.309 4.340 -0.000 0.000 0.234 199 R C 2.371 178.672 176.300 0.001 0.000 1.123 199 R CA 1.059 57.089 56.100 -0.118 0.000 0.975 199 R CB -0.213 30.038 30.300 -0.083 0.000 0.866 199 R HN 0.266 nan 8.270 nan 0.000 0.446 200 L N -0.750 120.437 121.223 -0.061 0.000 2.552 200 L HA 0.115 4.455 4.340 -0.000 0.000 0.227 200 L C 1.174 178.034 176.870 -0.017 0.000 1.146 200 L CA 0.720 55.501 54.840 -0.099 0.000 0.858 200 L CB 0.151 42.064 42.059 -0.245 0.000 0.969 200 L HN 0.565 nan 8.230 nan 0.000 0.451 201 G N -0.818 107.988 108.800 0.011 0.000 2.273 201 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.162 201 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.162 201 G C 0.286 175.191 174.900 0.009 0.000 1.006 201 G CA -0.188 44.918 45.100 0.010 0.000 0.704 201 G HN 0.367 nan 8.290 nan 0.000 0.487 202 A N 0.330 123.165 122.820 0.025 0.000 2.351 202 A HA 0.557 4.877 4.320 -0.000 0.000 0.257 202 A C -0.020 177.528 177.584 -0.061 0.000 1.087 202 A CA 0.332 52.366 52.037 -0.005 0.000 0.798 202 A CB 0.584 19.604 19.000 0.033 0.000 1.033 202 A HN 0.286 nan 8.150 nan 0.000 0.488 203 D N 1.864 122.220 120.400 -0.072 0.000 2.396 203 D HA 0.405 5.045 4.640 -0.000 0.000 0.225 203 D C -0.936 175.287 176.300 -0.129 0.000 1.121 203 D CA 0.071 54.018 54.000 -0.088 0.000 0.853 203 D CB 0.832 41.595 40.800 -0.062 0.000 1.043 203 D HN 0.113 nan 8.370 nan 0.000 0.500 204 V N 3.512 123.306 119.914 -0.201 0.000 2.513 204 V HA 0.498 4.618 4.120 -0.000 0.000 0.299 204 V C 0.363 176.311 176.094 -0.244 0.000 1.035 204 V CA -0.589 61.541 62.300 -0.284 0.000 0.889 204 V CB 1.991 33.483 31.823 -0.553 0.000 0.988 204 V HN 0.544 nan 8.190 nan 0.000 0.440 205 T N 3.537 117.999 114.554 -0.153 0.000 2.881 205 T HA 0.708 5.058 4.350 -0.000 0.000 0.290 205 T C -0.265 174.429 174.700 -0.010 0.000 1.000 205 T CA -0.330 61.721 62.100 -0.081 0.000 0.978 205 T CB 1.701 70.540 68.868 -0.048 0.000 0.997 205 T HN 0.947 nan 8.240 nan 0.000 0.443 206 A N 2.773 125.617 122.820 0.040 0.000 2.292 206 A HA 0.766 5.086 4.320 -0.000 0.000 0.319 206 A C -0.356 177.323 177.584 0.159 0.000 1.206 206 A CA -0.598 51.531 52.037 0.152 0.000 0.835 206 A CB 0.695 19.878 19.000 0.303 0.000 1.164 206 A HN 0.680 nan 8.150 nan 0.000 0.505 207 V N 2.513 122.509 119.914 0.137 0.000 2.370 207 V HA 0.464 4.584 4.120 -0.000 0.000 0.283 207 V C -0.265 175.923 176.094 0.158 0.000 1.023 207 V CA -0.339 62.038 62.300 0.129 0.000 0.857 207 V CB 1.161 33.039 31.823 0.091 0.000 0.985 207 V HN 0.968 nan 8.190 nan 0.000 0.443 208 E N 3.314 123.603 120.200 0.149 0.000 2.191 208 E HA 0.338 4.688 4.350 -0.000 0.000 0.263 208 E C 0.150 176.826 176.600 0.126 0.000 0.881 208 E CA -0.690 55.793 56.400 0.139 0.000 0.757 208 E CB 1.227 30.976 29.700 0.082 0.000 1.147 208 E HN 0.423 nan 8.360 nan 0.000 0.414 209 F N 4.585 124.565 119.950 0.049 0.000 2.154 209 F HA -0.024 4.503 4.527 -0.000 0.000 0.301 209 F C 0.175 175.985 175.800 0.017 0.000 1.087 209 F CA 1.407 59.432 58.000 0.043 0.000 1.274 209 F CB 0.177 39.207 39.000 0.050 0.000 1.009 209 F HN 0.451 nan 8.300 nan 0.000 0.485 210 L N -1.713 119.519 121.223 0.015 0.000 2.635 210 L HA 0.383 4.723 4.340 -0.000 0.000 0.250 210 L C 1.702 178.513 176.870 -0.098 0.000 1.117 210 L CA -0.125 54.673 54.840 -0.070 0.000 0.834 210 L CB -0.038 42.041 42.059 0.034 0.000 1.544 210 L HN -0.084 nan 8.230 nan 0.000 0.511 211 G N -1.541 107.230 108.800 -0.048 0.000 3.233 211 G HA2 0.133 4.093 3.960 -0.000 0.000 0.227 211 G HA3 0.133 4.093 3.960 -0.000 0.000 0.227 211 G C 0.124 175.030 174.900 0.011 0.000 1.175 211 G CA 0.091 45.178 45.100 -0.022 0.000 0.781 211 G HN 0.707 nan 8.290 nan 0.000 0.542 212 H N -2.761 116.273 119.070 -0.060 0.000 2.990 212 H HA 0.537 5.093 4.556 -0.000 0.000 0.336 212 H C -1.881 173.383 175.328 -0.107 0.000 1.306 212 H CA -0.850 55.140 56.048 -0.098 0.000 1.118 212 H CB 1.189 30.902 29.762 -0.081 0.000 1.856 212 H HN -0.172 nan 8.280 nan 0.000 0.538 213 V N 0.285 120.104 119.914 -0.158 0.000 2.532 213 V HA 0.500 4.620 4.120 -0.000 0.000 0.295 213 V C 1.170 177.345 176.094 0.136 0.000 1.041 213 V CA 0.757 62.947 62.300 -0.182 0.000 0.926 213 V CB 0.878 32.403 31.823 -0.497 0.000 0.992 213 V HN 1.221 nan 8.190 nan 0.000 0.457 214 G N 2.533 111.432 108.800 0.164 0.000 2.255 214 G HA2 0.266 4.226 3.960 -0.000 0.000 0.196 214 G HA3 0.266 4.226 3.960 -0.000 0.000 0.196 214 G C 0.770 175.847 174.900 0.295 0.000 0.998 214 G CA 0.088 45.364 45.100 0.293 0.000 0.656 214 G HN 2.212 nan 8.290 nan 0.000 0.490 215 G N -1.402 107.539 108.800 0.235 0.000 2.660 215 G HA2 0.269 4.229 3.960 -0.000 0.000 0.215 215 G HA3 0.269 4.229 3.960 -0.000 0.000 0.215 215 G C 0.571 175.678 174.900 0.346 0.000 1.345 215 G CA 0.913 46.162 45.100 0.249 0.000 0.877 215 G HN 1.975 nan 8.290 nan 0.000 0.549 216 V N -1.157 118.915 119.914 0.263 0.000 2.811 216 V HA 0.624 4.744 4.120 -0.000 0.000 0.302 216 V C 1.969 178.210 176.094 0.245 0.000 1.063 216 V CA 1.142 63.576 62.300 0.224 0.000 1.088 216 V CB 0.537 32.460 31.823 0.168 0.000 0.982 216 V HN 3.055 nan 8.190 nan 0.000 0.485 217 G N 2.806 111.688 108.800 0.137 0.000 2.284 217 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.261 217 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.261 217 G C 0.294 175.105 174.900 -0.148 0.000 0.997 217 G CA 0.479 45.656 45.100 0.130 0.000 0.621 217 G HN 1.258 nan 8.290 nan 0.000 0.534 218 I N 1.896 122.271 120.570 -0.325 0.000 2.813 218 I HA 0.297 4.467 4.170 -0.000 0.000 0.287 218 I C 0.661 176.360 176.117 -0.696 0.000 1.196 218 I CA 0.105 60.812 61.300 -0.988 0.000 1.421 218 I CB 0.489 38.086 38.000 -0.672 0.000 1.365 218 I HN 0.317 nan 8.210 nan 0.000 0.591 219 D N 6.042 125.990 120.400 -0.752 0.000 2.390 219 D HA 0.015 4.655 4.640 -0.000 0.000 0.249 219 D C 1.067 177.118 176.300 -0.415 0.000 1.144 219 D CA -0.339 53.323 54.000 -0.563 0.000 0.880 219 D CB 0.962 41.311 40.800 -0.751 0.000 1.182 219 D HN 0.416 nan 8.370 nan 0.000 0.451 220 M N 2.462 121.860 119.600 -0.337 0.000 2.080 220 M HA -0.149 4.331 4.480 -0.000 0.000 0.260 220 M C 1.816 178.010 176.300 -0.176 0.000 1.068 220 M CA 1.594 56.743 55.300 -0.252 0.000 1.109 220 M CB -1.117 31.365 32.600 -0.197 0.000 1.342 220 M HN 0.731 nan 8.290 nan 0.000 0.405 221 E N 0.137 120.237 120.200 -0.167 0.000 2.106 221 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 221 E C 1.974 178.516 176.600 -0.097 0.000 0.984 221 E CA 0.837 57.172 56.400 -0.110 0.000 0.806 221 E CB 0.190 29.833 29.700 -0.095 0.000 0.750 221 E HN 0.317 nan 8.360 nan 0.000 0.458 222 I N 1.009 121.490 120.570 -0.148 0.000 2.179 222 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 222 I C 2.662 178.748 176.117 -0.052 0.000 1.088 222 I CA 1.219 62.456 61.300 -0.104 0.000 1.357 222 I CB -1.320 36.579 38.000 -0.168 0.000 1.051 222 I HN 0.205 nan 8.210 nan 0.000 0.409 223 S N 0.655 116.296 115.700 -0.097 0.000 2.382 223 S HA -0.173 4.297 4.470 -0.000 0.000 0.228 223 S C 2.023 176.637 174.600 0.024 0.000 1.027 223 S CA 1.199 59.402 58.200 0.005 0.000 0.991 223 S CB 0.015 63.194 63.200 -0.035 0.000 0.823 223 S HN 0.243 nan 8.310 nan 0.000 0.469 224 K N 1.542 121.926 120.400 -0.026 0.000 2.025 224 K HA 0.063 4.383 4.320 -0.000 0.000 0.207 224 K C 1.893 178.486 176.600 -0.011 0.000 1.049 224 K CA 1.303 57.569 56.287 -0.034 0.000 0.933 224 K CB -1.054 31.422 32.500 -0.039 0.000 0.714 224 K HN 0.385 nan 8.250 nan 0.000 0.438 225 N N 0.739 119.451 118.700 0.020 0.000 2.166 225 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 225 N C 1.520 177.097 175.510 0.112 0.000 1.019 225 N CA 0.674 53.753 53.050 0.050 0.000 0.856 225 N CB -0.414 38.103 38.487 0.051 0.000 0.993 225 N HN 0.093 nan 8.380 nan 0.000 0.426 226 F N 1.953 121.872 119.950 -0.053 0.000 2.102 226 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 226 F C 2.436 178.191 175.800 -0.076 0.000 1.105 226 F CA 1.486 59.458 58.000 -0.047 0.000 1.239 226 F CB -0.819 38.150 39.000 -0.051 0.000 0.991 226 F HN 0.098 nan 8.300 nan 0.000 0.474 227 Q N 0.221 119.900 119.800 -0.201 0.000 2.077 227 Q HA -0.267 4.073 4.340 -0.000 0.000 0.206 227 Q C 2.413 178.297 176.000 -0.195 0.000 0.989 227 Q CA 2.180 57.719 55.803 -0.440 0.000 0.853 227 Q CB -0.185 28.285 28.738 -0.447 0.000 0.907 227 Q HN 0.420 nan 8.270 nan 0.000 0.418 228 R N -0.204 120.249 120.500 -0.079 0.000 2.081 228 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 228 R C 2.327 178.640 176.300 0.022 0.000 1.131 228 R CA 1.578 57.673 56.100 -0.008 0.000 0.960 228 R CB -0.226 30.079 30.300 0.008 0.000 0.856 228 R HN 0.340 nan 8.270 nan 0.000 0.436 229 I N 0.532 121.119 120.570 0.028 0.000 2.315 229 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 229 I C 2.041 178.189 176.117 0.052 0.000 1.117 229 I CA 1.161 62.498 61.300 0.062 0.000 1.404 229 I CB -0.159 37.906 38.000 0.107 0.000 1.071 229 I HN 0.146 nan 8.210 nan 0.000 0.419 230 L N -0.125 121.079 121.223 -0.032 0.000 2.046 230 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 230 L C 2.624 179.574 176.870 0.134 0.000 1.077 230 L CA 1.468 56.311 54.840 0.005 0.000 0.747 230 L CB -0.608 41.320 42.059 -0.218 0.000 0.896 230 L HN 0.309 nan 8.230 nan 0.000 0.432 231 Q N -0.165 119.718 119.800 0.138 0.000 2.124 231 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 231 Q C 2.214 178.278 176.000 0.107 0.000 0.977 231 Q CA 1.372 57.267 55.803 0.153 0.000 0.850 231 Q CB -0.093 28.733 28.738 0.146 0.000 0.901 231 Q HN 0.330 nan 8.270 nan 0.000 0.429 232 K N 0.770 121.224 120.400 0.089 0.000 2.211 232 K HA -0.176 4.144 4.320 -0.000 0.000 0.203 232 K C 1.672 178.324 176.600 0.087 0.000 1.050 232 K CA 1.074 57.409 56.287 0.080 0.000 0.945 232 K CB 0.156 32.702 32.500 0.077 0.000 0.732 232 K HN 0.261 nan 8.250 nan 0.000 0.451 233 Q N -1.440 118.421 119.800 0.101 0.000 2.389 233 Q HA 0.010 4.350 4.340 -0.000 0.000 0.204 233 Q C 0.813 176.846 176.000 0.054 0.000 0.944 233 Q CA 0.754 56.610 55.803 0.089 0.000 0.908 233 Q CB 0.611 29.416 28.738 0.111 0.000 1.002 233 Q HN 0.590 nan 8.270 nan 0.000 0.493 234 G N -0.036 108.809 108.800 0.075 0.000 2.205 234 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.180 234 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.180 234 G C -0.385 174.546 174.900 0.051 0.000 1.004 234 G CA -0.593 44.531 45.100 0.041 0.000 0.670 234 G HN 0.254 nan 8.290 nan 0.000 0.496 235 F N 3.131 123.021 119.950 -0.101 0.000 2.438 235 F HA 0.648 5.175 4.527 -0.000 0.000 0.356 235 F C 0.635 176.230 175.800 -0.342 0.000 1.099 235 F CA -0.833 57.028 58.000 -0.232 0.000 1.185 235 F CB 0.640 39.520 39.000 -0.200 0.000 1.115 235 F HN 0.011 nan 8.300 nan 0.000 0.526 236 K N 5.511 125.916 120.400 0.009 0.000 2.118 236 K HA 0.587 4.907 4.320 -0.000 0.000 0.254 236 K C -1.513 174.819 176.600 -0.447 0.000 0.961 236 K CA -0.556 55.651 56.287 -0.134 0.000 0.876 236 K CB 1.619 34.091 32.500 -0.046 0.000 1.077 236 K HN 0.390 nan 8.250 nan 0.000 0.440 237 F N 0.823 120.814 119.950 0.068 0.000 2.578 237 F HA 0.371 4.898 4.527 -0.000 0.000 0.311 237 F C -0.107 175.703 175.800 0.017 0.000 1.094 237 F CA -0.869 57.146 58.000 0.025 0.000 0.923 237 F CB 1.962 40.923 39.000 -0.065 0.000 1.230 237 F HN 0.115 nan 8.300 nan 0.000 0.450 238 K N 4.391 124.911 120.400 0.199 0.000 2.540 238 K HA 0.472 4.792 4.320 -0.000 0.000 0.218 238 K C -0.861 175.802 176.600 0.106 0.000 1.017 238 K CA -0.272 56.085 56.287 0.118 0.000 1.029 238 K CB 0.961 33.508 32.500 0.078 0.000 1.348 238 K HN 0.525 nan 8.250 nan 0.000 0.508 239 L N 1.434 122.705 121.223 0.079 0.000 2.475 239 L HA 0.164 4.504 4.340 -0.000 0.000 0.253 239 L C 0.763 177.623 176.870 -0.017 0.000 1.198 239 L CA -0.544 54.310 54.840 0.022 0.000 0.814 239 L CB 0.217 42.266 42.059 -0.017 0.000 1.134 239 L HN 0.662 nan 8.230 nan 0.000 0.478 240 N N 0.141 118.799 118.700 -0.070 0.000 2.716 240 N HA -0.155 4.585 4.740 -0.000 0.000 0.250 240 N C -0.665 174.772 175.510 -0.123 0.000 1.033 240 N CA 0.937 53.898 53.050 -0.147 0.000 0.727 240 N CB -1.110 37.307 38.487 -0.116 0.000 0.950 240 N HN 0.674 nan 8.380 nan 0.000 0.541 241 T N 0.348 114.865 114.554 -0.062 0.000 2.881 241 T HA 0.409 4.759 4.350 -0.000 0.000 0.290 241 T C 0.156 174.919 174.700 0.106 0.000 1.000 241 T CA -0.932 61.175 62.100 0.011 0.000 0.978 241 T CB 2.288 71.183 68.868 0.045 0.000 0.997 241 T HN 0.231 nan 8.240 nan 0.000 0.443 242 K N 1.353 121.855 120.400 0.169 0.000 2.221 242 K HA 0.762 5.082 4.320 -0.000 0.000 0.258 242 K C -0.879 175.866 176.600 0.242 0.000 0.944 242 K CA -0.873 55.616 56.287 0.337 0.000 0.823 242 K CB 1.462 34.259 32.500 0.494 0.000 1.113 242 K HN 0.236 nan 8.250 nan 0.000 0.431 243 V N 3.338 123.415 119.914 0.272 0.000 2.498 243 V HA 0.019 4.139 4.120 -0.000 0.000 0.279 243 V C 1.325 177.594 176.094 0.291 0.000 1.048 243 V CA 0.043 62.451 62.300 0.179 0.000 0.967 243 V CB 1.057 32.894 31.823 0.023 0.000 0.988 243 V HN 1.140 nan 8.190 nan 0.000 0.473 244 T N 1.692 116.357 114.554 0.186 0.000 2.953 244 T HA 0.375 4.725 4.350 -0.000 0.000 0.247 244 T C 0.770 175.598 174.700 0.213 0.000 1.029 244 T CA 0.595 62.819 62.100 0.207 0.000 1.144 244 T CB 0.355 69.298 68.868 0.125 0.000 0.870 244 T HN 0.901 nan 8.240 nan 0.000 0.446 245 G N 0.139 108.993 108.800 0.091 0.000 2.706 245 G HA2 0.701 4.661 3.960 -0.000 0.000 0.307 245 G HA3 0.701 4.661 3.960 -0.000 0.000 0.307 245 G C -1.939 172.932 174.900 -0.050 0.000 1.307 245 G CA -0.542 44.583 45.100 0.041 0.000 0.790 245 G HN 0.877 nan 8.290 nan 0.000 0.503 246 A N -0.800 121.993 122.820 -0.045 0.000 2.582 246 A HA 0.863 5.183 4.320 -0.000 0.000 0.297 246 A C -0.564 176.996 177.584 -0.039 0.000 1.059 246 A CA 0.305 52.303 52.037 -0.064 0.000 0.705 246 A CB 1.377 20.306 19.000 -0.117 0.000 1.279 246 A HN 2.147 nan 8.150 nan 0.000 0.404 247 T N -0.446 114.087 114.554 -0.035 0.000 2.952 247 T HA 0.655 5.005 4.350 -0.000 0.000 0.305 247 T C -0.773 173.909 174.700 -0.030 0.000 1.064 247 T CA -0.769 61.316 62.100 -0.025 0.000 1.008 247 T CB 1.267 70.126 68.868 -0.014 0.000 1.078 247 T HN 0.666 nan 8.240 nan 0.000 0.459 248 K N 2.266 122.649 120.400 -0.029 0.000 2.270 248 K HA 0.442 4.762 4.320 -0.000 0.000 0.276 248 K C 0.028 176.613 176.600 -0.025 0.000 1.023 248 K CA -0.646 55.622 56.287 -0.031 0.000 0.955 248 K CB 0.952 33.433 32.500 -0.031 0.000 0.975 248 K HN 0.516 nan 8.250 nan 0.000 0.471 249 K N 0.221 120.605 120.400 -0.027 0.000 2.166 249 K HA 0.099 4.419 4.320 -0.000 0.000 0.245 249 K C 1.178 177.765 176.600 -0.023 0.000 0.967 249 K CA -0.451 55.823 56.287 -0.023 0.000 0.863 249 K CB 1.544 34.030 32.500 -0.023 0.000 1.107 249 K HN 0.649 nan 8.250 nan 0.000 0.436 250 S N 0.224 115.913 115.700 -0.019 0.000 2.400 250 S HA -0.186 4.284 4.470 -0.000 0.000 0.232 250 S C 1.085 175.673 174.600 -0.020 0.000 1.025 250 S CA 1.754 59.943 58.200 -0.018 0.000 0.993 250 S CB -0.467 62.724 63.200 -0.015 0.000 0.808 250 S HN 0.773 nan 8.310 nan 0.000 0.478 251 D N 0.462 120.849 120.400 -0.022 0.000 2.323 251 D HA 0.294 4.934 4.640 -0.000 0.000 0.239 251 D C 1.400 177.682 176.300 -0.029 0.000 1.129 251 D CA 0.513 54.499 54.000 -0.024 0.000 0.865 251 D CB -0.731 40.055 40.800 -0.022 0.000 0.913 251 D HN 0.593 nan 8.370 nan 0.000 0.517 252 G N -0.218 108.563 108.800 -0.032 0.000 2.234 252 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 252 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 252 G C 0.465 175.338 174.900 -0.045 0.000 0.987 252 G CA 0.210 45.287 45.100 -0.039 0.000 0.625 252 G HN 0.368 nan 8.290 nan 0.000 0.532 253 K N 0.242 120.617 120.400 -0.042 0.000 2.120 253 K HA 0.654 4.974 4.320 -0.000 0.000 0.245 253 K C 0.499 177.071 176.600 -0.046 0.000 1.024 253 K CA -0.155 56.105 56.287 -0.046 0.000 0.906 253 K CB 0.826 33.303 32.500 -0.039 0.000 1.051 253 K HN 0.385 nan 8.250 nan 0.000 0.491 254 I N 1.365 121.904 120.570 -0.051 0.000 2.466 254 I HA 0.125 4.295 4.170 -0.000 0.000 0.289 254 I C -0.719 175.369 176.117 -0.048 0.000 1.026 254 I CA -0.865 60.404 61.300 -0.052 0.000 1.078 254 I CB 2.072 40.032 38.000 -0.066 0.000 1.249 254 I HN 0.260 nan 8.210 nan 0.000 0.429 255 D N 5.698 126.074 120.400 -0.041 0.000 2.274 255 D HA 0.378 5.018 4.640 -0.000 0.000 0.239 255 D C -0.551 175.725 176.300 -0.040 0.000 1.104 255 D CA -0.035 53.944 54.000 -0.034 0.000 0.840 255 D CB 2.158 42.944 40.800 -0.024 0.000 1.100 255 D HN 0.031 nan 8.370 nan 0.000 0.477 256 V N 2.223 122.113 119.914 -0.041 0.000 2.398 256 V HA 0.326 4.446 4.120 -0.000 0.000 0.286 256 V C 0.282 176.363 176.094 -0.023 0.000 1.026 256 V CA -0.752 61.519 62.300 -0.048 0.000 0.868 256 V CB 1.633 33.419 31.823 -0.062 0.000 0.982 256 V HN 0.423 nan 8.190 nan 0.000 0.443 257 S N 6.377 122.069 115.700 -0.013 0.000 2.489 257 S HA 0.741 5.211 4.470 -0.000 0.000 0.277 257 S C -0.138 174.480 174.600 0.030 0.000 1.230 257 S CA -0.391 57.816 58.200 0.012 0.000 1.053 257 S CB 0.633 63.847 63.200 0.024 0.000 0.955 257 S HN 0.714 nan 8.310 nan 0.000 0.488 258 I N 0.200 120.792 120.570 0.037 0.000 3.174 258 I HA 0.898 5.068 4.170 -0.000 0.000 0.313 258 I C -0.840 175.310 176.117 0.055 0.000 1.155 258 I CA -1.111 60.223 61.300 0.057 0.000 0.977 258 I CB 2.447 40.475 38.000 0.047 0.000 1.248 258 I HN 0.718 nan 8.210 nan 0.000 0.453 259 E N 2.402 122.642 120.200 0.066 0.000 2.429 259 E HA 0.648 4.998 4.350 -0.000 0.000 0.280 259 E C -1.447 175.180 176.600 0.044 0.000 1.068 259 E CA -1.232 55.199 56.400 0.051 0.000 0.837 259 E CB 1.400 31.133 29.700 0.055 0.000 1.357 259 E HN 0.941 nan 8.360 nan 0.000 0.455 260 A N 0.547 123.380 122.820 0.021 0.000 2.466 260 A HA 0.458 4.778 4.320 -0.000 0.000 0.238 260 A C 1.255 178.827 177.584 -0.020 0.000 1.074 260 A CA 0.509 52.540 52.037 -0.010 0.000 0.774 260 A CB 0.222 19.212 19.000 -0.016 0.000 1.015 260 A HN 0.911 nan 8.150 nan 0.000 0.498 261 A N 1.322 124.075 122.820 -0.112 0.000 1.978 261 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 261 A C 1.927 179.461 177.584 -0.084 0.000 1.170 261 A CA 2.041 53.946 52.037 -0.221 0.000 0.636 261 A CB -0.738 17.824 19.000 -0.731 0.000 0.810 261 A HN 1.650 nan 8.150 nan 0.000 0.448 262 S N -1.070 114.589 115.700 -0.068 0.000 2.679 262 S HA 0.470 4.940 4.470 -0.000 0.000 0.233 262 S C 0.804 175.412 174.600 0.012 0.000 0.951 262 S CA 0.339 58.528 58.200 -0.017 0.000 0.973 262 S CB -0.981 62.200 63.200 -0.032 0.000 0.778 262 S HN 1.969 nan 8.310 nan 0.000 0.477 263 G N -0.331 108.486 108.800 0.028 0.000 2.716 263 G HA2 0.427 4.387 3.960 -0.000 0.000 0.686 263 G HA3 0.427 4.387 3.960 -0.000 0.000 0.686 263 G C 0.237 175.151 174.900 0.023 0.000 1.337 263 G CA -0.583 44.538 45.100 0.035 0.000 0.829 263 G HN 1.953 nan 8.290 nan 0.000 0.599 264 G N 0.643 109.459 108.800 0.027 0.000 2.728 264 G HA2 0.321 4.281 3.960 -0.000 0.000 0.294 264 G HA3 0.321 4.281 3.960 -0.000 0.000 0.294 264 G C 0.509 175.421 174.900 0.020 0.000 1.342 264 G CA 0.887 45.999 45.100 0.021 0.000 0.866 264 G HN 2.354 nan 8.290 nan 0.000 0.534 265 K N -1.765 118.645 120.400 0.016 0.000 3.077 265 K HA -0.045 4.275 4.320 -0.000 0.000 0.264 265 K C 0.825 177.437 176.600 0.019 0.000 1.008 265 K CA 1.262 57.558 56.287 0.014 0.000 0.740 265 K CB -1.559 30.948 32.500 0.011 0.000 1.273 265 K HN 2.315 nan 8.250 nan 0.000 0.477 266 A N 1.641 124.474 122.820 0.022 0.000 2.520 266 A HA 0.203 4.523 4.320 -0.000 0.000 0.245 266 A C 0.126 177.722 177.584 0.020 0.000 1.072 266 A CA 0.607 52.660 52.037 0.025 0.000 0.761 266 A CB 0.185 19.200 19.000 0.025 0.000 1.004 266 A HN 0.499 nan 8.150 nan 0.000 0.499 267 E N 0.612 120.825 120.200 0.021 0.000 2.458 267 E HA 0.641 4.991 4.350 -0.000 0.000 0.278 267 E C -1.649 174.958 176.600 0.013 0.000 1.004 267 E CA -0.995 55.414 56.400 0.015 0.000 0.823 267 E CB 1.958 31.666 29.700 0.014 0.000 1.396 267 E HN 0.344 nan 8.360 nan 0.000 0.463 268 V N 1.609 121.527 119.914 0.007 0.000 2.709 268 V HA 0.557 4.676 4.120 -0.000 0.000 0.308 268 V C -0.509 175.582 176.094 -0.004 0.000 1.062 268 V CA -0.699 61.601 62.300 0.001 0.000 0.901 268 V CB 1.530 33.351 31.823 -0.002 0.000 1.003 268 V HN 0.586 nan 8.190 nan 0.000 0.425 269 I N 0.529 121.093 120.570 -0.010 0.000 2.828 269 I HA 0.848 5.018 4.170 -0.000 0.000 0.302 269 I C -0.426 175.676 176.117 -0.026 0.000 1.101 269 I CA -0.423 60.867 61.300 -0.016 0.000 1.031 269 I CB 2.643 40.635 38.000 -0.014 0.000 1.231 269 I HN 0.456 nan 8.210 nan 0.000 0.427 270 T N 3.174 117.711 114.554 -0.029 0.000 2.912 270 T HA 0.719 5.069 4.350 -0.000 0.000 0.288 270 T C -0.460 174.212 174.700 -0.046 0.000 1.030 270 T CA -0.458 61.620 62.100 -0.037 0.000 1.020 270 T CB 1.591 70.440 68.868 -0.032 0.000 1.056 270 T HN 0.989 nan 8.240 nan 0.000 0.480 271 C N 0.147 119.413 119.300 -0.056 0.000 3.321 271 C HA 0.599 5.059 4.460 -0.000 0.000 0.329 271 C C 0.465 175.409 174.990 -0.076 0.000 1.394 271 C CA -0.789 58.187 59.018 -0.069 0.000 1.291 271 C CB 0.940 28.633 27.740 -0.079 0.000 1.606 271 C HN 0.832 nan 8.230 nan 0.000 0.463 272 D N 0.003 120.349 120.400 -0.090 0.000 2.277 272 D HA 0.167 4.807 4.640 -0.000 0.000 0.209 272 D C 0.161 176.389 176.300 -0.120 0.000 0.970 272 D CA 1.266 55.207 54.000 -0.098 0.000 0.874 272 D CB 0.900 41.638 40.800 -0.103 0.000 0.982 272 D HN 0.428 nan 8.370 nan 0.000 0.504 273 V N 1.567 121.398 119.914 -0.139 0.000 2.760 273 V HA 0.283 4.403 4.120 -0.000 0.000 0.309 273 V C -1.063 174.949 176.094 -0.136 0.000 1.077 273 V CA -0.910 61.296 62.300 -0.157 0.000 0.910 273 V CB 2.979 34.663 31.823 -0.230 0.000 1.008 273 V HN -0.067 nan 8.190 nan 0.000 0.424 274 L N 5.672 126.822 121.223 -0.121 0.000 2.294 274 L HA 0.694 5.034 4.340 -0.000 0.000 0.283 274 L C -0.908 175.904 176.870 -0.096 0.000 1.015 274 L CA -0.336 54.440 54.840 -0.108 0.000 0.831 274 L CB 1.316 43.308 42.059 -0.113 0.000 1.217 274 L HN 0.655 nan 8.230 nan 0.000 0.420 275 L N 6.795 127.974 121.223 -0.073 0.000 2.272 275 L HA 0.600 4.940 4.340 -0.000 0.000 0.289 275 L C -1.056 175.805 176.870 -0.014 0.000 1.032 275 L CA -0.169 54.648 54.840 -0.038 0.000 0.810 275 L CB 1.547 43.600 42.059 -0.010 0.000 1.205 275 L HN 0.365 nan 8.230 nan 0.000 0.422 276 V N 5.162 125.074 119.914 -0.004 0.000 2.348 276 V HA 0.343 4.463 4.120 -0.000 0.000 0.270 276 V C -0.107 176.032 176.094 0.074 0.000 1.037 276 V CA -0.326 61.989 62.300 0.025 0.000 0.872 276 V CB 0.679 32.515 31.823 0.022 0.000 1.002 276 V HN 1.005 nan 8.190 nan 0.000 0.464 277 C N 4.050 123.411 119.300 0.102 0.000 3.452 277 C HA 0.530 4.990 4.460 -0.000 0.000 0.251 277 C C 0.589 175.657 174.990 0.129 0.000 1.160 277 C CA -0.824 58.262 59.018 0.113 0.000 1.328 277 C CB -1.184 26.625 27.740 0.116 0.000 1.819 277 C HN 0.856 nan 8.230 nan 0.000 0.543 278 I N -0.063 120.588 120.570 0.135 0.000 3.889 278 I HA 0.701 4.871 4.170 -0.000 0.000 0.332 278 I C 0.774 176.945 176.117 0.089 0.000 1.493 278 I CA 0.426 61.803 61.300 0.127 0.000 1.158 278 I CB -0.134 37.959 38.000 0.155 0.000 1.117 278 I HN 0.947 nan 8.210 nan 0.000 0.411 279 G N 1.145 109.998 108.800 0.088 0.000 2.381 279 G HA2 0.070 4.030 3.960 -0.000 0.000 0.672 279 G HA3 0.070 4.030 3.960 -0.000 0.000 0.672 279 G C -1.153 173.786 174.900 0.065 0.000 1.324 279 G CA -1.131 44.013 45.100 0.072 0.000 0.975 279 G HN 0.340 nan 8.290 nan 0.000 0.593 280 R N -0.577 119.957 120.500 0.057 0.000 2.867 280 R HA 0.819 5.159 4.340 -0.000 0.000 0.268 280 R C 0.177 176.508 176.300 0.051 0.000 1.014 280 R CA -1.003 55.130 56.100 0.055 0.000 0.946 280 R CB 2.288 32.619 30.300 0.051 0.000 1.208 280 R HN 0.916 nan 8.270 nan 0.000 0.477 281 R N 0.239 120.777 120.500 0.063 0.000 2.808 281 R HA 0.547 4.887 4.340 -0.000 0.000 0.272 281 R C -2.904 173.451 176.300 0.091 0.000 0.995 281 R CA -2.200 53.938 56.100 0.063 0.000 0.917 281 R CB 1.779 32.114 30.300 0.058 0.000 1.217 281 R HN 0.294 nan 8.270 nan 0.000 0.471 282 P HA 0.002 nan 4.420 nan 0.000 0.268 282 P C -1.238 176.151 177.300 0.148 0.000 1.204 282 P CA 0.047 63.207 63.100 0.099 0.000 0.768 282 P CB 0.359 32.091 31.700 0.055 0.000 0.842 283 F N 3.949 123.912 119.950 0.022 0.000 2.388 283 F HA 0.374 4.901 4.527 -0.000 0.000 0.358 283 F C 0.573 176.392 175.800 0.032 0.000 1.122 283 F CA -0.081 57.937 58.000 0.030 0.000 1.056 283 F CB 1.160 40.178 39.000 0.028 0.000 1.155 283 F HN 0.311 nan 8.300 nan 0.000 0.461 284 T N 1.172 115.421 114.554 -0.508 0.000 3.332 284 T HA 0.261 4.611 4.350 -0.000 0.000 0.304 284 T C 0.071 174.493 174.700 -0.462 0.000 0.971 284 T CA -0.583 61.301 62.100 -0.361 0.000 0.954 284 T CB -0.404 68.372 68.868 -0.153 0.000 1.175 284 T HN 0.449 nan 8.240 nan 0.000 0.519 285 K N 3.028 122.887 120.400 -0.901 0.000 2.491 285 K HA 0.092 4.412 4.320 -0.000 0.000 0.279 285 K C 0.087 176.622 176.600 -0.109 0.000 1.026 285 K CA -0.054 55.955 56.287 -0.462 0.000 1.070 285 K CB 0.056 32.288 32.500 -0.447 0.000 0.887 285 K HN 0.221 nan 8.250 nan 0.000 0.481 286 N N 1.957 120.625 118.700 -0.053 0.000 2.721 286 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 286 N C 0.255 175.828 175.510 0.106 0.000 1.072 286 N CA 0.530 53.588 53.050 0.013 0.000 0.710 286 N CB -0.942 37.516 38.487 -0.047 0.000 0.993 286 N HN 0.597 nan 8.380 nan 0.000 0.547 287 L N -0.796 120.459 121.223 0.052 0.000 2.375 287 L HA 0.059 4.399 4.340 -0.000 0.000 0.215 287 L C 1.616 178.510 176.870 0.041 0.000 1.108 287 L CA 1.261 56.138 54.840 0.062 0.000 0.830 287 L CB -0.113 41.951 42.059 0.009 0.000 0.959 287 L HN 0.537 nan 8.230 nan 0.000 0.457 288 G N -0.902 107.909 108.800 0.018 0.000 2.134 288 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.209 288 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.209 288 G C 0.789 175.689 174.900 -0.002 0.000 0.993 288 G CA 0.202 45.308 45.100 0.009 0.000 0.669 288 G HN 0.223 nan 8.290 nan 0.000 0.519 289 L N -0.135 121.082 121.223 -0.010 0.000 2.046 289 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 289 L C 2.557 179.418 176.870 -0.015 0.000 1.077 289 L CA 2.168 56.999 54.840 -0.014 0.000 0.747 289 L CB -0.388 41.658 42.059 -0.022 0.000 0.896 289 L HN 0.526 nan 8.230 nan 0.000 0.432 290 E N 0.472 120.662 120.200 -0.017 0.000 2.077 290 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 290 E C 1.952 178.544 176.600 -0.013 0.000 0.989 290 E CA 1.227 57.617 56.400 -0.016 0.000 0.800 290 E CB 0.212 29.901 29.700 -0.018 0.000 0.746 290 E HN 0.380 nan 8.360 nan 0.000 0.452 291 E N 0.534 120.727 120.200 -0.011 0.000 2.110 291 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 291 E C 1.976 178.571 176.600 -0.008 0.000 0.988 291 E CA 0.841 57.236 56.400 -0.008 0.000 0.804 291 E CB -0.126 29.571 29.700 -0.005 0.000 0.745 291 E HN 0.330 nan 8.360 nan 0.000 0.458 292 L N -1.112 120.106 121.223 -0.009 0.000 2.395 292 L HA 0.091 4.431 4.340 -0.000 0.000 0.218 292 L C 1.340 178.201 176.870 -0.014 0.000 1.130 292 L CA 0.603 55.437 54.840 -0.010 0.000 0.826 292 L CB -0.239 41.814 42.059 -0.010 0.000 0.941 292 L HN 0.398 nan 8.230 nan 0.000 0.451 293 G N 0.679 109.470 108.800 -0.014 0.000 2.132 293 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.234 293 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.234 293 G C 0.151 175.040 174.900 -0.019 0.000 0.989 293 G CA -0.329 44.762 45.100 -0.016 0.000 0.676 293 G HN 0.273 nan 8.290 nan 0.000 0.522 294 I N 1.748 122.306 120.570 -0.019 0.000 2.281 294 I HA 0.269 4.439 4.170 -0.000 0.000 0.293 294 I C 0.456 176.562 176.117 -0.019 0.000 1.085 294 I CA -0.339 60.949 61.300 -0.020 0.000 1.257 294 I CB 0.627 38.615 38.000 -0.020 0.000 1.430 294 I HN 0.156 nan 8.210 nan 0.000 0.489 295 E N 6.351 126.540 120.200 -0.019 0.000 2.283 295 E HA 0.423 4.773 4.350 -0.000 0.000 0.278 295 E C -0.565 176.025 176.600 -0.016 0.000 1.027 295 E CA -0.589 55.800 56.400 -0.018 0.000 0.843 295 E CB 1.474 31.164 29.700 -0.016 0.000 1.062 295 E HN 0.465 nan 8.360 nan 0.000 0.401 296 L N 2.313 123.527 121.223 -0.016 0.000 2.456 296 L HA 0.181 4.521 4.340 -0.000 0.000 0.257 296 L C 0.604 177.466 176.870 -0.012 0.000 1.162 296 L CA -0.701 54.131 54.840 -0.014 0.000 0.808 296 L CB 0.274 42.323 42.059 -0.017 0.000 1.136 296 L HN 0.648 nan 8.230 nan 0.000 0.466 297 D N 0.114 120.508 120.400 -0.009 0.000 2.451 297 D HA 0.193 4.833 4.640 -0.000 0.000 0.259 297 D C -2.056 174.239 176.300 -0.008 0.000 1.201 297 D CA -1.969 52.026 54.000 -0.008 0.000 1.028 297 D CB -0.019 40.777 40.800 -0.007 0.000 1.095 297 D HN 0.138 nan 8.370 nan 0.000 0.539 298 P HA -0.068 nan 4.420 nan 0.000 0.220 298 P C 0.894 178.189 177.300 -0.008 0.000 1.144 298 P CA 1.248 64.343 63.100 -0.008 0.000 0.800 298 P CB 0.153 31.849 31.700 -0.007 0.000 0.772 299 R N -2.224 118.273 120.500 -0.005 0.000 2.334 299 R HA 0.288 4.628 4.340 -0.000 0.000 0.216 299 R C 1.146 177.446 176.300 0.001 0.000 0.905 299 R CA 0.706 56.804 56.100 -0.003 0.000 1.064 299 R CB -0.094 30.206 30.300 -0.000 0.000 1.046 299 R HN 0.164 nan 8.270 nan 0.000 0.508 300 G N 1.714 110.512 108.800 -0.003 0.000 2.157 300 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.239 300 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.239 300 G C 0.020 174.921 174.900 0.000 0.000 0.982 300 G CA -0.301 44.797 45.100 -0.004 0.000 0.650 300 G HN 0.241 nan 8.290 nan 0.000 0.527 301 R N -0.436 120.065 120.500 0.003 0.000 2.528 301 R HA 0.649 4.989 4.340 -0.000 0.000 0.271 301 R C 0.488 176.792 176.300 0.007 0.000 1.056 301 R CA -0.609 55.497 56.100 0.009 0.000 1.117 301 R CB 0.930 31.235 30.300 0.009 0.000 1.085 301 R HN 0.259 nan 8.270 nan 0.000 0.530 302 I N 3.474 124.054 120.570 0.017 0.000 2.325 302 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 302 I C -2.009 174.118 176.117 0.017 0.000 1.019 302 I CA -2.199 59.110 61.300 0.015 0.000 1.302 302 I CB 1.209 39.225 38.000 0.027 0.000 1.401 302 I HN 0.216 nan 8.210 nan 0.000 0.485 303 P HA 0.134 nan 4.420 nan 0.000 0.271 303 P C -0.907 176.384 177.300 -0.016 0.000 1.216 303 P CA -0.103 62.991 63.100 -0.010 0.000 0.771 303 P CB 0.811 32.500 31.700 -0.018 0.000 0.864 304 V N 0.019 119.915 119.914 -0.031 0.000 3.007 304 V HA 0.666 4.786 4.120 -0.000 0.000 0.311 304 V C -0.182 175.838 176.094 -0.124 0.000 1.120 304 V CA -1.101 61.164 62.300 -0.057 0.000 0.980 304 V CB 2.021 33.844 31.823 0.000 0.000 1.033 304 V HN 0.528 nan 8.190 nan 0.000 0.429 305 N N 0.711 119.328 118.700 -0.138 0.000 2.452 305 N HA 0.262 5.002 4.740 -0.000 0.000 0.296 305 N C 1.130 176.488 175.510 -0.254 0.000 1.304 305 N CA 0.353 53.312 53.050 -0.151 0.000 0.956 305 N CB -0.378 38.047 38.487 -0.102 0.000 1.106 305 N HN 0.928 nan 8.380 nan 0.000 0.555 306 T N -4.200 110.238 114.554 -0.193 0.000 3.085 306 T HA 0.125 4.475 4.350 -0.000 0.000 0.263 306 T C 1.124 175.708 174.700 -0.194 0.000 1.127 306 T CA 0.631 62.586 62.100 -0.243 0.000 1.103 306 T CB -0.100 68.684 68.868 -0.140 0.000 0.921 306 T HN 0.305 nan 8.240 nan 0.000 0.510 307 R N -0.403 120.062 120.500 -0.058 0.000 2.393 307 R HA 0.503 4.843 4.340 -0.000 0.000 0.244 307 R C -0.243 176.315 176.300 0.430 0.000 0.920 307 R CA -0.866 55.337 56.100 0.172 0.000 1.076 307 R CB -1.020 29.386 30.300 0.175 0.000 1.119 307 R HN 0.400 nan 8.270 nan 0.000 0.524 308 F N -1.009 119.019 119.950 0.130 0.000 2.988 308 F HA -0.312 4.215 4.527 -0.000 0.000 0.287 308 F C -0.142 175.735 175.800 0.127 0.000 0.781 308 F CA 0.563 58.658 58.000 0.158 0.000 1.221 308 F CB -1.800 37.312 39.000 0.187 0.000 1.392 308 F HN 0.142 nan 8.300 nan 0.000 0.425 309 Q N 0.507 120.310 119.800 0.006 0.000 2.288 309 Q HA 0.441 4.781 4.340 -0.000 0.000 0.254 309 Q C 0.986 176.870 176.000 -0.194 0.000 0.932 309 Q CA 0.247 55.824 55.803 -0.376 0.000 0.902 309 Q CB 1.349 29.836 28.738 -0.418 0.000 1.203 309 Q HN 0.375 nan 8.270 nan 0.000 0.415 310 T N -1.487 112.949 114.554 -0.197 0.000 2.771 310 T HA 0.111 4.461 4.350 -0.000 0.000 0.290 310 T C 1.065 175.694 174.700 -0.117 0.000 1.005 310 T CA -0.599 61.438 62.100 -0.105 0.000 0.944 310 T CB 0.606 69.430 68.868 -0.073 0.000 1.147 310 T HN 0.654 nan 8.240 nan 0.000 0.534 311 K N -0.599 119.754 120.400 -0.078 0.000 2.218 311 K HA 0.010 4.330 4.320 -0.000 0.000 0.205 311 K C 0.407 176.961 176.600 -0.078 0.000 1.046 311 K CA 1.031 57.277 56.287 -0.068 0.000 0.933 311 K CB -0.477 31.994 32.500 -0.047 0.000 0.728 311 K HN 0.600 nan 8.250 nan 0.000 0.454 312 I N 1.917 122.433 120.570 -0.090 0.000 2.291 312 I HA 0.103 4.273 4.170 -0.000 0.000 0.290 312 I C -1.862 174.165 176.117 -0.150 0.000 1.050 312 I CA -2.268 58.978 61.300 -0.089 0.000 1.245 312 I CB 1.399 39.360 38.000 -0.064 0.000 1.405 312 I HN -0.056 nan 8.210 nan 0.000 0.478 313 P HA -0.215 nan 4.420 nan 0.000 0.218 313 P C 0.801 177.932 177.300 -0.282 0.000 1.147 313 P CA 1.366 64.345 63.100 -0.201 0.000 0.827 313 P CB -0.066 31.573 31.700 -0.102 0.000 0.778 314 N N -1.042 117.564 118.700 -0.158 0.000 2.270 314 N HA 0.028 4.768 4.740 -0.000 0.000 0.198 314 N C -0.039 175.464 175.510 -0.011 0.000 1.117 314 N CA 0.086 53.113 53.050 -0.038 0.000 0.845 314 N CB 0.090 38.597 38.487 0.032 0.000 0.980 314 N HN 0.179 nan 8.380 nan 0.000 0.486 315 I N 1.509 121.969 120.570 -0.183 0.000 2.389 315 I HA 0.324 4.494 4.170 -0.000 0.000 0.288 315 I C -0.961 175.048 176.117 -0.180 0.000 0.999 315 I CA -0.866 60.401 61.300 -0.054 0.000 1.129 315 I CB 0.898 38.877 38.000 -0.036 0.000 1.288 315 I HN -0.158 nan 8.210 nan 0.000 0.444 316 Y N 4.257 124.563 120.300 0.009 0.000 2.621 316 Y HA 0.834 5.384 4.550 0.000 0.000 0.334 316 Y C 0.247 176.176 175.900 0.048 0.000 1.074 316 Y CA -1.069 57.057 58.100 0.043 0.000 1.149 316 Y CB 1.833 40.317 38.460 0.041 0.000 1.302 316 Y HN 0.547 nan 8.280 nan 0.000 0.501 317 A N 1.458 124.436 122.820 0.263 0.000 2.520 317 A HA 0.871 5.191 4.320 -0.000 0.000 0.298 317 A C -1.511 176.203 177.584 0.216 0.000 1.051 317 A CA -0.556 51.588 52.037 0.178 0.000 0.690 317 A CB 1.046 20.123 19.000 0.128 0.000 1.281 317 A HN 0.743 nan 8.150 nan 0.000 0.402 318 I N -1.583 119.051 120.570 0.108 0.000 3.195 318 I HA 0.974 5.144 4.170 -0.000 0.000 0.313 318 I C 0.480 176.611 176.117 0.024 0.000 1.237 318 I CA 0.126 61.446 61.300 0.034 0.000 0.963 318 I CB 1.538 39.428 38.000 -0.184 0.000 1.278 318 I HN 2.264 nan 8.210 nan 0.000 0.460 319 G N 1.888 110.691 108.800 0.005 0.000 2.499 319 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.232 319 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.232 319 G C 0.066 174.977 174.900 0.019 0.000 1.251 319 G CA 0.518 45.618 45.100 0.000 0.000 0.917 319 G HN 0.854 nan 8.290 nan 0.000 0.580 320 D N 0.331 120.740 120.400 0.015 0.000 2.309 320 D HA -0.017 4.623 4.640 -0.000 0.000 0.212 320 D C 2.638 178.961 176.300 0.038 0.000 0.968 320 D CA 1.748 55.760 54.000 0.020 0.000 0.882 320 D CB -0.206 40.611 40.800 0.027 0.000 0.918 320 D HN 0.963 nan 8.370 nan 0.000 0.503 321 V N -1.720 118.226 119.914 0.053 0.000 3.461 321 V HA 0.049 4.169 4.120 -0.000 0.000 0.267 321 V C 1.005 177.131 176.094 0.052 0.000 1.186 321 V CA 0.231 62.565 62.300 0.057 0.000 1.154 321 V CB -1.028 30.833 31.823 0.063 0.000 0.802 321 V HN -0.002 nan 8.190 nan 0.000 0.474 322 V N -2.935 117.015 119.914 0.060 0.000 3.166 322 V HA 0.983 5.103 4.120 -0.000 0.000 0.317 322 V C 0.529 176.635 176.094 0.020 0.000 1.136 322 V CA -0.886 61.454 62.300 0.067 0.000 1.035 322 V CB 1.003 32.919 31.823 0.154 0.000 1.110 322 V HN 0.481 nan 8.190 nan 0.000 0.450 323 A N 0.187 123.006 122.820 -0.002 0.000 2.429 323 A HA 0.707 5.027 4.320 -0.000 0.000 0.242 323 A C 0.947 178.396 177.584 -0.224 0.000 1.088 323 A CA 0.728 52.718 52.037 -0.078 0.000 0.784 323 A CB -0.670 18.292 19.000 -0.063 0.000 1.038 323 A HN 3.004 nan 8.150 nan 0.000 0.501 324 G N -0.560 108.046 108.800 -0.323 0.000 2.525 324 G HA2 0.167 4.127 3.960 -0.000 0.000 0.685 324 G HA3 0.167 4.127 3.960 -0.000 0.000 0.685 324 G C -3.221 171.504 174.900 -0.292 0.000 1.290 324 G CA -0.505 44.242 45.100 -0.588 0.000 0.915 324 G HN 0.828 nan 8.290 nan 0.000 0.548 325 P HA 0.369 nan 4.420 nan 0.000 0.267 325 P C 0.339 177.574 177.300 -0.108 0.000 1.209 325 P CA 0.121 63.154 63.100 -0.111 0.000 0.763 325 P CB 0.352 32.008 31.700 -0.072 0.000 0.816 326 M N 4.153 123.714 119.600 -0.065 0.000 3.237 326 M HA 0.190 4.670 4.480 -0.000 0.000 0.266 326 M C -0.388 175.872 176.300 -0.068 0.000 1.456 326 M CA 0.555 55.825 55.300 -0.051 0.000 1.593 326 M CB -0.690 31.903 32.600 -0.013 0.000 1.129 326 M HN 0.205 nan 8.290 nan 0.000 0.547 327 L N -0.359 120.784 121.223 -0.134 0.000 2.350 327 L HA 0.630 4.970 4.340 -0.000 0.000 0.260 327 L C 1.004 177.740 176.870 -0.223 0.000 1.015 327 L CA -0.625 54.085 54.840 -0.217 0.000 0.821 327 L CB 1.860 43.651 42.059 -0.447 0.000 1.370 327 L HN 0.506 nan 8.230 nan 0.000 0.416 328 A N 0.210 122.937 122.820 -0.156 0.000 1.898 328 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 328 A C 1.934 179.483 177.584 -0.059 0.000 1.181 328 A CA 1.558 53.560 52.037 -0.059 0.000 0.620 328 A CB -0.784 18.238 19.000 0.037 0.000 0.819 328 A HN 0.931 nan 8.150 nan 0.000 0.442 329 H N -1.053 118.018 119.070 0.001 0.000 2.495 329 H HA 0.010 4.566 4.556 -0.000 0.000 0.287 329 H C 1.721 177.051 175.328 0.004 0.000 1.033 329 H CA 1.283 57.328 56.048 -0.006 0.000 1.307 329 H CB -0.293 29.467 29.762 -0.004 0.000 1.401 329 H HN 0.412 nan 8.280 nan 0.000 0.555 330 K N 1.813 122.068 120.400 -0.242 0.000 2.001 330 K HA -0.028 4.292 4.320 -0.000 0.000 0.208 330 K C 2.354 178.936 176.600 -0.030 0.000 1.048 330 K CA 1.243 57.487 56.287 -0.072 0.000 0.932 330 K CB -0.314 32.120 32.500 -0.110 0.000 0.715 330 K HN 0.284 nan 8.250 nan 0.000 0.437 331 A N 1.636 124.414 122.820 -0.069 0.000 1.883 331 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 331 A C 2.024 179.550 177.584 -0.098 0.000 1.186 331 A CA 1.820 53.816 52.037 -0.069 0.000 0.624 331 A CB -0.526 18.440 19.000 -0.056 0.000 0.822 331 A HN 0.526 nan 8.150 nan 0.000 0.444 332 E N -0.354 119.794 120.200 -0.087 0.000 2.058 332 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 332 E C 1.660 178.197 176.600 -0.106 0.000 0.997 332 E CA 1.402 57.733 56.400 -0.115 0.000 0.801 332 E CB -0.269 29.378 29.700 -0.088 0.000 0.746 332 E HN 0.563 nan 8.360 nan 0.000 0.450 333 D N 0.520 120.886 120.400 -0.058 0.000 2.117 333 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 333 D C 1.736 177.961 176.300 -0.126 0.000 0.987 333 D CA 1.003 54.971 54.000 -0.053 0.000 0.829 333 D CB -0.104 40.701 40.800 0.009 0.000 0.961 333 D HN 0.219 nan 8.370 nan 0.000 0.460 334 E N -0.105 119.982 120.200 -0.187 0.000 2.110 334 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 334 E C 2.203 178.510 176.600 -0.487 0.000 0.988 334 E CA 1.010 57.121 56.400 -0.481 0.000 0.804 334 E CB -0.226 29.154 29.700 -0.533 0.000 0.745 334 E HN 0.309 nan 8.360 nan 0.000 0.458 335 G N 1.253 109.875 108.800 -0.296 0.000 2.418 335 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 335 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 335 G C 1.598 176.379 174.900 -0.198 0.000 1.158 335 G CA 0.509 45.467 45.100 -0.238 0.000 0.771 335 G HN 0.110 nan 8.290 nan 0.000 0.545 336 I N 1.444 121.918 120.570 -0.161 0.000 2.202 336 I HA -0.100 4.070 4.170 -0.000 0.000 0.242 336 I C 2.751 178.811 176.117 -0.094 0.000 1.091 336 I CA 1.136 62.373 61.300 -0.106 0.000 1.368 336 I CB -0.216 37.739 38.000 -0.075 0.000 1.058 336 I HN 0.307 nan 8.210 nan 0.000 0.410 337 I N -1.497 119.007 120.570 -0.111 0.000 2.439 337 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 337 I C 2.797 178.878 176.117 -0.059 0.000 1.139 337 I CA 1.100 62.365 61.300 -0.058 0.000 1.438 337 I CB -0.851 37.144 38.000 -0.009 0.000 1.085 337 I HN 0.326 nan 8.210 nan 0.000 0.427 338 C N 2.087 121.283 119.300 -0.174 0.000 2.432 338 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 338 C C 2.977 177.862 174.990 -0.175 0.000 1.249 338 C CA 1.542 60.476 59.018 -0.141 0.000 1.725 338 C CB -1.075 26.506 27.740 -0.265 0.000 2.028 338 C HN 0.613 nan 8.230 nan 0.000 0.477 339 V N -0.568 119.244 119.914 -0.170 0.000 2.667 339 V HA -0.064 4.056 4.120 -0.000 0.000 0.252 339 V C 2.177 178.288 176.094 0.028 0.000 1.065 339 V CA 2.220 64.444 62.300 -0.126 0.000 1.083 339 V CB -1.089 30.683 31.823 -0.084 0.000 0.692 339 V HN 0.626 nan 8.190 nan 0.000 0.468 340 E N 1.521 121.729 120.200 0.013 0.000 2.106 340 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 340 E C 2.300 178.931 176.600 0.052 0.000 0.984 340 E CA 1.198 57.623 56.400 0.043 0.000 0.806 340 E CB -0.492 29.219 29.700 0.019 0.000 0.750 340 E HN 0.722 nan 8.360 nan 0.000 0.458 341 G N 1.001 109.822 108.800 0.035 0.000 2.422 341 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 341 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 341 G C 1.542 176.488 174.900 0.077 0.000 1.140 341 G CA 0.413 45.548 45.100 0.059 0.000 0.775 341 G HN 0.096 nan 8.290 nan 0.000 0.545 342 M N 0.768 120.385 119.600 0.029 0.000 2.213 342 M HA 0.040 4.520 4.480 -0.000 0.000 0.263 342 M C 2.576 179.047 176.300 0.286 0.000 1.062 342 M CA 1.182 56.512 55.300 0.049 0.000 1.105 342 M CB 0.024 32.480 32.600 -0.240 0.000 1.385 342 M HN 0.278 nan 8.290 nan 0.000 0.417 343 A N -0.326 122.669 122.820 0.292 0.000 2.302 343 A HA 0.426 4.746 4.320 -0.000 0.000 0.219 343 A C 1.584 179.217 177.584 0.082 0.000 1.243 343 A CA 0.659 52.803 52.037 0.179 0.000 0.856 343 A CB -0.858 18.158 19.000 0.027 0.000 0.893 343 A HN 0.660 nan 8.150 nan 0.000 0.491 344 G N -1.766 107.090 108.800 0.093 0.000 2.199 344 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.254 344 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.254 344 G C 0.812 175.737 174.900 0.041 0.000 0.982 344 G CA 0.300 45.436 45.100 0.061 0.000 0.632 344 G HN 1.410 nan 8.290 nan 0.000 0.529 345 G N 0.135 108.957 108.800 0.037 0.000 2.599 345 G HA2 0.707 4.667 3.960 -0.000 0.000 0.264 345 G HA3 0.707 4.667 3.960 -0.000 0.000 0.264 345 G C 0.678 175.589 174.900 0.018 0.000 1.200 345 G CA 0.480 45.596 45.100 0.028 0.000 0.896 345 G HN 1.536 nan 8.290 nan 0.000 0.536 346 A N -1.095 121.736 122.820 0.018 0.000 2.466 346 A HA 0.485 4.805 4.320 -0.000 0.000 0.238 346 A C -0.135 177.396 177.584 -0.088 0.000 1.074 346 A CA -0.014 52.005 52.037 -0.029 0.000 0.774 346 A CB 0.521 19.570 19.000 0.083 0.000 1.015 346 A HN 0.973 nan 8.150 nan 0.000 0.498 347 V N 4.423 124.169 119.914 -0.280 0.000 2.409 347 V HA 0.445 4.565 4.120 -0.000 0.000 0.290 347 V C -0.767 175.078 176.094 -0.415 0.000 1.017 347 V CA -0.412 61.785 62.300 -0.171 0.000 0.841 347 V CB 1.046 32.868 31.823 -0.002 0.000 1.003 347 V HN 0.941 nan 8.190 nan 0.000 0.426 348 H N 4.888 123.993 119.070 0.059 0.000 2.856 348 H HA 0.657 5.213 4.556 -0.000 0.000 0.355 348 H C -1.098 174.224 175.328 -0.010 0.000 1.079 348 H CA -0.491 55.564 56.048 0.013 0.000 1.240 348 H CB 2.961 32.716 29.762 -0.011 0.000 1.701 348 H HN 0.608 nan 8.280 nan 0.000 0.527 349 I N 2.353 122.952 120.570 0.048 0.000 2.710 349 I HA 0.099 4.269 4.170 -0.000 0.000 0.290 349 I C -1.489 174.459 176.117 -0.283 0.000 1.318 349 I CA -0.508 60.729 61.300 -0.104 0.000 1.045 349 I CB 2.375 40.294 38.000 -0.135 0.000 1.307 349 I HN 0.448 nan 8.210 nan 0.000 0.424 350 D N 6.096 126.364 120.400 -0.220 0.000 2.414 350 D HA 0.248 4.888 4.640 -0.000 0.000 0.232 350 D C 0.121 176.336 176.300 -0.141 0.000 1.070 350 D CA -0.116 53.777 54.000 -0.179 0.000 0.839 350 D CB 0.878 41.642 40.800 -0.060 0.000 1.079 350 D HN 0.364 nan 8.370 nan 0.000 0.521 351 Y N 2.456 122.799 120.300 0.071 0.000 2.497 351 Y HA -0.105 4.445 4.550 -0.000 0.000 0.292 351 Y C 2.104 178.040 175.900 0.062 0.000 1.137 351 Y CA 0.647 58.787 58.100 0.067 0.000 1.285 351 Y CB -0.510 37.989 38.460 0.066 0.000 0.991 351 Y HN 0.426 nan 8.280 nan 0.000 0.556 352 N N -0.494 118.307 118.700 0.167 0.000 2.244 352 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 352 N C 1.028 176.598 175.510 0.100 0.000 1.016 352 N CA 1.373 54.499 53.050 0.127 0.000 0.866 352 N CB -0.361 38.179 38.487 0.090 0.000 0.980 352 N HN 0.220 nan 8.380 nan 0.000 0.430 353 C N 0.141 119.487 119.300 0.077 0.000 2.673 353 C HA 0.374 4.834 4.460 -0.000 0.000 0.274 353 C C 0.264 175.291 174.990 0.062 0.000 1.276 353 C CA -0.727 58.324 59.018 0.055 0.000 1.701 353 C CB -1.114 26.646 27.740 0.033 0.000 1.836 353 C HN 0.057 nan 8.230 nan 0.000 0.596 354 V N 4.639 124.615 119.914 0.103 0.000 2.408 354 V HA 0.241 4.361 4.120 -0.000 0.000 0.267 354 V C -1.718 174.415 176.094 0.064 0.000 1.047 354 V CA -0.933 61.447 62.300 0.133 0.000 0.937 354 V CB 0.861 32.805 31.823 0.201 0.000 0.999 354 V HN 0.282 nan 8.190 nan 0.000 0.472 355 P HA 0.333 nan 4.420 nan 0.000 0.276 355 P C -0.647 176.552 177.300 -0.167 0.000 1.244 355 P CA -0.420 62.594 63.100 -0.142 0.000 0.801 355 P CB 1.177 32.756 31.700 -0.202 0.000 1.006 356 S N 0.002 115.357 115.700 -0.575 0.000 2.500 356 S HA 0.564 5.034 4.470 -0.000 0.000 0.301 356 S C -0.517 173.607 174.600 -0.792 0.000 1.092 356 S CA -0.546 57.191 58.200 -0.772 0.000 1.030 356 S CB 1.162 63.456 63.200 -1.510 0.000 1.031 356 S HN 0.223 nan 8.310 nan 0.000 0.483 357 V N 3.794 123.408 119.914 -0.500 0.000 2.789 357 V HA 0.567 4.687 4.120 -0.000 0.000 0.311 357 V C -0.901 174.930 176.094 -0.438 0.000 1.073 357 V CA -0.652 61.332 62.300 -0.527 0.000 0.921 357 V CB 1.967 33.394 31.823 -0.661 0.000 1.009 357 V HN 0.805 nan 8.190 nan 0.000 0.426 358 I N 3.496 123.816 120.570 -0.417 0.000 2.382 358 I HA 0.347 4.517 4.170 -0.000 0.000 0.286 358 I C -0.706 175.240 176.117 -0.284 0.000 1.002 358 I CA -0.445 60.742 61.300 -0.189 0.000 1.135 358 I CB 1.660 39.606 38.000 -0.090 0.000 1.288 358 I HN 0.643 nan 8.210 nan 0.000 0.448 359 Y N 4.041 124.365 120.300 0.041 0.000 2.627 359 Y HA 0.041 4.591 4.550 -0.000 0.000 0.339 359 Y C 1.658 177.602 175.900 0.072 0.000 1.137 359 Y CA -0.495 57.624 58.100 0.032 0.000 1.361 359 Y CB -0.560 37.911 38.460 0.019 0.000 1.180 359 Y HN 0.534 nan 8.280 nan 0.000 0.512 360 T N -2.687 111.992 114.554 0.209 0.000 2.753 360 T HA 0.085 4.435 4.350 -0.000 0.000 0.309 360 T C -0.348 174.461 174.700 0.182 0.000 1.043 360 T CA -0.526 61.730 62.100 0.259 0.000 0.964 360 T CB 0.981 70.107 68.868 0.431 0.000 1.206 360 T HN 0.316 nan 8.240 nan 0.000 0.528 361 H N 1.599 120.734 119.070 0.109 0.000 2.906 361 H HA 0.355 4.911 4.556 -0.000 0.000 0.324 361 H C -2.700 172.697 175.328 0.114 0.000 0.973 361 H CA -1.907 54.144 56.048 0.006 0.000 1.321 361 H CB 1.845 31.508 29.762 -0.166 0.000 1.535 361 H HN 0.487 nan 8.280 nan 0.000 0.518 362 P HA 0.060 nan 4.420 nan 0.000 0.272 362 P C -0.228 176.989 177.300 -0.139 0.000 1.240 362 P CA -0.184 62.698 63.100 -0.363 0.000 0.791 362 P CB 1.878 33.452 31.700 -0.210 0.000 0.978 363 E N -0.403 119.657 120.200 -0.233 0.000 2.342 363 E HA 0.422 4.772 4.350 -0.000 0.000 0.257 363 E C -0.589 175.863 176.600 -0.246 0.000 1.150 363 E CA -0.923 55.352 56.400 -0.208 0.000 0.926 363 E CB 0.862 30.418 29.700 -0.240 0.000 1.074 363 E HN 0.178 nan 8.360 nan 0.000 0.449 364 V N 0.238 119.972 119.914 -0.300 0.000 2.760 364 V HA 0.748 4.868 4.120 -0.000 0.000 0.309 364 V C -0.792 175.233 176.094 -0.114 0.000 1.077 364 V CA -0.750 61.411 62.300 -0.232 0.000 0.910 364 V CB 1.593 33.152 31.823 -0.440 0.000 1.008 364 V HN 0.796 nan 8.190 nan 0.000 0.424 365 A N 3.707 126.556 122.820 0.048 0.000 2.589 365 A HA 0.985 5.305 4.320 -0.000 0.000 0.296 365 A C -1.763 175.944 177.584 0.206 0.000 1.062 365 A CA -0.605 51.412 52.037 -0.033 0.000 0.686 365 A CB 1.666 20.553 19.000 -0.188 0.000 1.282 365 A HN 1.682 nan 8.150 nan 0.000 0.404 366 W N 0.012 121.235 121.300 -0.129 0.000 3.074 366 W HA 0.771 5.431 4.660 -0.000 0.000 0.332 366 W C -1.925 174.494 176.519 -0.167 0.000 1.253 366 W CA -1.132 56.093 57.345 -0.200 0.000 1.180 366 W CB 1.168 30.514 29.460 -0.190 0.000 1.445 366 W HN 1.070 nan 8.180 nan 0.000 0.573 367 V N 2.440 122.347 119.914 -0.012 0.000 3.048 367 V HA 0.840 4.960 4.120 -0.000 0.000 0.303 367 V C 0.226 176.336 176.094 0.026 0.000 1.214 367 V CA 0.425 62.718 62.300 -0.012 0.000 0.984 367 V CB 1.329 33.121 31.823 -0.051 0.000 1.054 367 V HN 2.216 nan 8.190 nan 0.000 0.430 368 G N 5.188 114.040 108.800 0.086 0.000 2.508 368 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.220 368 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.220 368 G C -0.838 174.146 174.900 0.139 0.000 1.287 368 G CA -0.051 45.102 45.100 0.089 0.000 0.916 368 G HN 0.897 nan 8.290 nan 0.000 0.574 369 K N 0.669 121.141 120.400 0.120 0.000 2.098 369 K HA 0.634 4.954 4.320 -0.000 0.000 0.261 369 K C 0.780 177.495 176.600 0.192 0.000 0.987 369 K CA 0.164 56.520 56.287 0.114 0.000 0.916 369 K CB 1.573 34.086 32.500 0.022 0.000 1.039 369 K HN 1.051 nan 8.250 nan 0.000 0.455 370 S N 0.109 115.844 115.700 0.058 0.000 2.693 370 S HA 0.205 4.675 4.470 -0.000 0.000 0.276 370 S C 0.983 175.425 174.600 -0.264 0.000 1.192 370 S CA -0.649 57.447 58.200 -0.174 0.000 0.994 370 S CB 1.276 64.324 63.200 -0.252 0.000 1.012 370 S HN 0.538 nan 8.310 nan 0.000 0.550 371 E N 0.632 120.625 120.200 -0.345 0.000 2.118 371 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 371 E C 1.676 178.159 176.600 -0.195 0.000 0.992 371 E CA 1.551 57.758 56.400 -0.322 0.000 0.804 371 E CB -0.213 29.392 29.700 -0.157 0.000 0.741 371 E HN 0.697 nan 8.360 nan 0.000 0.458 372 E N 0.995 121.098 120.200 -0.162 0.000 2.077 372 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 372 E C 2.012 178.564 176.600 -0.080 0.000 0.989 372 E CA 1.117 57.455 56.400 -0.104 0.000 0.800 372 E CB -0.137 29.491 29.700 -0.120 0.000 0.746 372 E HN 0.278 nan 8.360 nan 0.000 0.452 373 Q N -0.198 119.547 119.800 -0.093 0.000 2.079 373 Q HA -0.040 4.300 4.340 -0.000 0.000 0.200 373 Q C 2.232 178.196 176.000 -0.061 0.000 0.974 373 Q CA 0.888 56.659 55.803 -0.054 0.000 0.840 373 Q CB -0.076 28.645 28.738 -0.029 0.000 0.898 373 Q HN 0.290 nan 8.270 nan 0.000 0.430 374 L N 0.509 121.651 121.223 -0.136 0.000 2.093 374 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 374 L C 2.252 179.121 176.870 -0.001 0.000 1.085 374 L CA 1.167 55.925 54.840 -0.137 0.000 0.755 374 L CB -0.354 41.431 42.059 -0.457 0.000 0.904 374 L HN 0.155 nan 8.230 nan 0.000 0.435 375 K N 0.134 120.549 120.400 0.024 0.000 2.026 375 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 375 K C 2.039 178.668 176.600 0.048 0.000 1.048 375 K CA 1.693 58.037 56.287 0.094 0.000 0.929 375 K CB -0.157 32.391 32.500 0.080 0.000 0.713 375 K HN 0.313 nan 8.250 nan 0.000 0.439 376 E N 1.551 121.762 120.200 0.019 0.000 2.077 376 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 376 E C 1.391 178.003 176.600 0.021 0.000 0.989 376 E CA 1.395 57.804 56.400 0.015 0.000 0.800 376 E CB 0.115 29.817 29.700 0.004 0.000 0.746 376 E HN 0.298 nan 8.360 nan 0.000 0.452 377 E N -0.874 119.338 120.200 0.020 0.000 2.427 377 E HA 0.025 4.375 4.350 -0.000 0.000 0.196 377 E C 0.834 177.455 176.600 0.036 0.000 1.028 377 E CA 0.391 56.806 56.400 0.025 0.000 0.864 377 E CB 0.200 29.912 29.700 0.020 0.000 0.813 377 E HN 0.503 nan 8.360 nan 0.000 0.514 378 G N 1.337 110.166 108.800 0.048 0.000 2.182 378 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.248 378 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.248 378 G C -0.133 174.811 174.900 0.073 0.000 1.042 378 G CA -0.165 44.969 45.100 0.056 0.000 0.775 378 G HN 0.083 nan 8.290 nan 0.000 0.501 379 I N 0.903 121.536 120.570 0.104 0.000 2.365 379 I HA 0.316 4.486 4.170 -0.000 0.000 0.291 379 I C 0.675 176.926 176.117 0.224 0.000 1.004 379 I CA -0.731 60.647 61.300 0.130 0.000 1.311 379 I CB 1.299 39.361 38.000 0.105 0.000 1.401 379 I HN 0.178 nan 8.210 nan 0.000 0.491 380 E N 6.263 126.552 120.200 0.147 0.000 2.194 380 E HA 0.329 4.679 4.350 -0.000 0.000 0.284 380 E C -1.370 175.325 176.600 0.157 0.000 1.035 380 E CA -0.201 56.255 56.400 0.093 0.000 0.836 380 E CB 0.838 30.551 29.700 0.022 0.000 1.070 380 E HN 0.485 nan 8.360 nan 0.000 0.401 381 Y N 0.692 120.995 120.300 0.004 0.000 2.638 381 Y HA 0.563 5.113 4.550 -0.000 0.000 0.339 381 Y C -0.845 175.057 175.900 0.004 0.000 1.084 381 Y CA -1.535 56.570 58.100 0.008 0.000 1.068 381 Y CB 0.966 39.435 38.460 0.015 0.000 1.294 381 Y HN 0.227 nan 8.280 nan 0.000 0.480 382 K N 0.633 121.116 120.400 0.138 0.000 2.340 382 K HA 0.864 5.184 4.320 -0.000 0.000 0.244 382 K C -1.826 174.877 176.600 0.171 0.000 0.973 382 K CA -1.085 55.229 56.287 0.044 0.000 0.828 382 K CB 2.633 35.146 32.500 0.022 0.000 1.226 382 K HN 0.520 nan 8.250 nan 0.000 0.437 383 V N 0.517 120.494 119.914 0.106 0.000 2.555 383 V HA 0.639 4.759 4.120 -0.000 0.000 0.302 383 V C -0.158 175.983 176.094 0.080 0.000 1.038 383 V CA -0.638 61.738 62.300 0.126 0.000 0.887 383 V CB 1.804 33.700 31.823 0.121 0.000 0.991 383 V HN 0.979 nan 8.190 nan 0.000 0.434 384 G N 3.311 112.159 108.800 0.080 0.000 2.609 384 G HA2 0.702 4.662 3.960 -0.000 0.000 0.308 384 G HA3 0.702 4.662 3.960 -0.000 0.000 0.308 384 G C -1.096 173.851 174.900 0.078 0.000 1.369 384 G CA -0.620 44.523 45.100 0.071 0.000 0.958 384 G HN 0.597 nan 8.290 nan 0.000 0.499 385 K N 0.816 121.275 120.400 0.098 0.000 2.385 385 K HA 0.653 4.973 4.320 -0.000 0.000 0.248 385 K C -1.946 174.734 176.600 0.134 0.000 0.955 385 K CA -0.848 55.491 56.287 0.086 0.000 0.816 385 K CB 2.947 35.479 32.500 0.053 0.000 1.250 385 K HN 0.385 nan 8.250 nan 0.000 0.434 386 F N 3.652 123.517 119.950 -0.142 0.000 2.607 386 F HA 0.312 4.839 4.527 -0.000 0.000 0.322 386 F C -2.603 172.947 175.800 -0.418 0.000 1.176 386 F CA -1.859 55.992 58.000 -0.248 0.000 0.977 386 F CB 1.811 40.685 39.000 -0.209 0.000 1.242 386 F HN 0.301 nan 8.300 nan 0.000 0.465 387 P HA 0.166 nan 4.420 nan 0.000 0.284 387 P C 0.345 177.360 177.300 -0.474 0.000 1.253 387 P CA -0.060 62.646 63.100 -0.656 0.000 0.800 387 P CB 0.965 32.168 31.700 -0.829 0.000 0.961 388 F N 1.850 121.748 119.950 -0.086 0.000 2.451 388 F HA -0.059 4.468 4.527 -0.000 0.000 0.299 388 F C 2.539 178.327 175.800 -0.020 0.000 1.101 388 F CA 1.434 59.445 58.000 0.019 0.000 1.436 388 F CB -1.082 37.935 39.000 0.028 0.000 1.074 388 F HN 0.360 nan 8.300 nan 0.000 0.553 389 A N -0.310 122.527 122.820 0.029 0.000 2.070 389 A HA 0.071 4.391 4.320 -0.000 0.000 0.220 389 A C 2.162 179.736 177.584 -0.017 0.000 1.159 389 A CA 1.495 53.535 52.037 0.006 0.000 0.656 389 A CB -0.829 18.142 19.000 -0.048 0.000 0.800 389 A HN 0.241 nan 8.150 nan 0.000 0.453 390 A N -0.702 122.041 122.820 -0.128 0.000 2.430 390 A HA 0.195 4.515 4.320 -0.000 0.000 0.243 390 A C 0.695 178.415 177.584 0.226 0.000 1.254 390 A CA -0.253 51.757 52.037 -0.045 0.000 0.914 390 A CB -0.266 18.539 19.000 -0.325 0.000 0.998 390 A HN 0.495 nan 8.150 nan 0.000 0.515 391 N N 0.162 119.035 118.700 0.289 0.000 2.472 391 N HA 0.131 4.871 4.740 -0.000 0.000 0.277 391 N C 0.547 176.201 175.510 0.240 0.000 1.081 391 N CA 0.172 53.434 53.050 0.354 0.000 0.973 391 N CB 1.247 39.972 38.487 0.397 0.000 1.105 391 N HN 0.055 nan 8.380 nan 0.000 0.470 392 S N 3.402 119.228 115.700 0.211 0.000 2.359 392 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 392 S C 1.746 176.397 174.600 0.085 0.000 1.035 392 S CA 1.013 59.303 58.200 0.150 0.000 1.018 392 S CB -0.112 63.192 63.200 0.173 0.000 0.876 392 S HN 0.654 nan 8.310 nan 0.000 0.448 393 R N 0.847 121.383 120.500 0.059 0.000 2.073 393 R HA -0.060 4.280 4.340 -0.000 0.000 0.234 393 R C 2.450 178.799 176.300 0.081 0.000 1.134 393 R CA 1.313 57.438 56.100 0.043 0.000 0.952 393 R CB -0.509 29.810 30.300 0.031 0.000 0.850 393 R HN 0.377 nan 8.270 nan 0.000 0.433 394 A N 1.093 123.993 122.820 0.133 0.000 1.883 394 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 394 A C 2.043 179.693 177.584 0.111 0.000 1.186 394 A CA 1.923 54.034 52.037 0.124 0.000 0.624 394 A CB -0.471 18.656 19.000 0.211 0.000 0.822 394 A HN 0.244 nan 8.150 nan 0.000 0.444 395 K N -0.421 120.052 120.400 0.123 0.000 2.026 395 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 395 K C 1.972 178.619 176.600 0.079 0.000 1.048 395 K CA 2.301 58.648 56.287 0.100 0.000 0.929 395 K CB -1.022 31.541 32.500 0.105 0.000 0.713 395 K HN 0.405 nan 8.250 nan 0.000 0.439 396 T N 1.237 115.834 114.554 0.071 0.000 2.803 396 T HA -0.076 4.274 4.350 -0.000 0.000 0.269 396 T C 1.041 175.771 174.700 0.050 0.000 1.052 396 T CA 1.504 63.637 62.100 0.054 0.000 1.136 396 T CB -0.268 68.624 68.868 0.040 0.000 0.864 396 T HN 0.250 nan 8.240 nan 0.000 0.467 397 N N 0.797 119.532 118.700 0.059 0.000 2.322 397 N HA 0.348 5.088 4.740 -0.000 0.000 0.194 397 N C 0.873 176.429 175.510 0.076 0.000 1.126 397 N CA 0.574 53.662 53.050 0.064 0.000 0.845 397 N CB 0.109 38.638 38.487 0.070 0.000 0.976 397 N HN 0.395 nan 8.380 nan 0.000 0.475 398 A N 0.923 123.787 122.820 0.074 0.000 2.745 398 A HA -0.205 4.115 4.320 -0.000 0.000 0.296 398 A C -0.149 177.492 177.584 0.094 0.000 1.500 398 A CA 1.013 53.096 52.037 0.077 0.000 0.766 398 A CB -1.865 17.175 19.000 0.067 0.000 1.030 398 A HN 0.274 nan 8.150 nan 0.000 0.489 399 D N -0.023 120.435 120.400 0.096 0.000 2.405 399 D HA 0.437 5.077 4.640 -0.000 0.000 0.264 399 D C 0.905 177.241 176.300 0.061 0.000 1.240 399 D CA 0.544 54.608 54.000 0.106 0.000 0.893 399 D CB 0.233 41.109 40.800 0.127 0.000 1.198 399 D HN 0.559 nan 8.370 nan 0.000 0.514 400 T N -1.432 113.169 114.554 0.079 0.000 3.182 400 T HA 0.229 4.579 4.350 -0.000 0.000 0.277 400 T C 0.348 175.116 174.700 0.113 0.000 1.013 400 T CA -0.601 61.563 62.100 0.106 0.000 0.900 400 T CB 0.273 69.204 68.868 0.105 0.000 1.098 400 T HN -0.016 nan 8.240 nan 0.000 0.543 401 D N 2.015 122.456 120.400 0.067 0.000 2.399 401 D HA 0.492 5.132 4.640 -0.000 0.000 0.241 401 D C 1.216 177.602 176.300 0.143 0.000 1.133 401 D CA 1.406 55.455 54.000 0.080 0.000 0.890 401 D CB 0.928 41.760 40.800 0.054 0.000 1.201 401 D HN 0.589 nan 8.370 nan 0.000 0.432 402 G N 0.157 109.053 108.800 0.160 0.000 2.681 402 G HA2 0.028 3.988 3.960 -0.000 0.000 0.220 402 G HA3 0.028 3.988 3.960 -0.000 0.000 0.220 402 G C -0.420 174.640 174.900 0.268 0.000 1.353 402 G CA 0.115 45.353 45.100 0.229 0.000 0.872 402 G HN 0.768 nan 8.290 nan 0.000 0.557 403 M N -3.303 116.448 119.600 0.253 0.000 2.833 403 M HA 0.735 5.215 4.480 -0.000 0.000 0.270 403 M C -1.182 175.138 176.300 0.032 0.000 1.209 403 M CA -1.201 54.089 55.300 -0.017 0.000 0.826 403 M CB 1.810 34.375 32.600 -0.059 0.000 1.657 403 M HN 0.976 nan 8.290 nan 0.000 0.492 404 V N 1.626 121.478 119.914 -0.104 0.000 2.417 404 V HA 0.587 4.707 4.120 -0.000 0.000 0.291 404 V C -0.692 175.445 176.094 0.072 0.000 1.024 404 V CA -0.411 61.914 62.300 0.043 0.000 0.861 404 V CB 1.642 33.479 31.823 0.023 0.000 0.985 404 V HN 0.784 nan 8.190 nan 0.000 0.436 405 K N 5.305 125.786 120.400 0.135 0.000 2.358 405 K HA 0.597 4.917 4.320 -0.000 0.000 0.260 405 K C -1.346 175.360 176.600 0.177 0.000 0.956 405 K CA -0.637 55.728 56.287 0.129 0.000 0.834 405 K CB 1.201 33.763 32.500 0.102 0.000 1.102 405 K HN 0.454 nan 8.250 nan 0.000 0.431 406 I N 5.697 126.337 120.570 0.117 0.000 2.412 406 I HA 0.338 4.508 4.170 -0.000 0.000 0.296 406 I C -0.393 175.796 176.117 0.121 0.000 0.987 406 I CA -0.879 60.485 61.300 0.106 0.000 1.180 406 I CB 1.397 39.400 38.000 0.005 0.000 1.340 406 I HN 0.620 nan 8.210 nan 0.000 0.455 407 L N 5.360 126.663 121.223 0.133 0.000 2.325 407 L HA 0.703 5.043 4.340 -0.000 0.000 0.281 407 L C 0.315 177.252 176.870 0.111 0.000 1.004 407 L CA -0.459 54.456 54.840 0.125 0.000 0.823 407 L CB 1.899 43.975 42.059 0.028 0.000 1.236 407 L HN 0.684 nan 8.230 nan 0.000 0.415 408 G N 1.365 110.250 108.800 0.141 0.000 2.495 408 G HA2 0.451 4.411 3.960 -0.000 0.000 0.318 408 G HA3 0.451 4.411 3.960 -0.000 0.000 0.318 408 G C -1.024 173.960 174.900 0.139 0.000 1.257 408 G CA -0.496 44.671 45.100 0.111 0.000 0.962 408 G HN 0.506 nan 8.290 nan 0.000 0.483 409 Q N 1.346 121.210 119.800 0.107 0.000 2.247 409 Q HA 0.068 4.408 4.340 -0.000 0.000 0.288 409 Q C 1.559 177.608 176.000 0.081 0.000 1.079 409 Q CA 0.425 56.290 55.803 0.104 0.000 0.932 409 Q CB 0.865 29.647 28.738 0.072 0.000 1.133 409 Q HN 0.618 nan 8.270 nan 0.000 0.377 410 K N 2.190 122.637 120.400 0.079 0.000 2.089 410 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 410 K C 1.472 178.086 176.600 0.024 0.000 1.048 410 K CA 2.043 58.351 56.287 0.035 0.000 0.926 410 K CB -0.036 32.469 32.500 0.008 0.000 0.714 410 K HN 0.856 nan 8.250 nan 0.000 0.448 411 S N -1.127 114.590 115.700 0.028 0.000 2.404 411 S HA -0.077 4.393 4.470 -0.000 0.000 0.223 411 S C 1.973 176.588 174.600 0.024 0.000 1.040 411 S CA 1.150 59.363 58.200 0.021 0.000 0.957 411 S CB -0.232 62.979 63.200 0.020 0.000 0.826 411 S HN 0.449 nan 8.310 nan 0.000 0.491 412 T N -2.334 112.239 114.554 0.032 0.000 3.044 412 T HA 0.200 4.550 4.350 -0.000 0.000 0.250 412 T C 0.566 175.287 174.700 0.035 0.000 1.081 412 T CA 0.760 62.879 62.100 0.031 0.000 1.040 412 T CB -0.422 68.465 68.868 0.032 0.000 0.962 412 T HN 0.330 nan 8.240 nan 0.000 0.506 413 D N 0.234 120.658 120.400 0.040 0.000 3.079 413 D HA -0.173 4.467 4.640 -0.000 0.000 0.214 413 D C 0.080 176.407 176.300 0.045 0.000 1.145 413 D CA 0.588 54.613 54.000 0.042 0.000 0.958 413 D CB -1.286 39.536 40.800 0.038 0.000 1.117 413 D HN 0.502 nan 8.370 nan 0.000 0.416 414 R N 0.026 120.555 120.500 0.048 0.000 2.449 414 R HA 0.375 4.715 4.340 -0.000 0.000 0.296 414 R C -0.419 175.916 176.300 0.057 0.000 1.047 414 R CA -0.174 55.957 56.100 0.051 0.000 1.018 414 R CB 0.633 30.961 30.300 0.048 0.000 0.962 414 R HN 0.013 nan 8.270 nan 0.000 0.428 415 V N 7.627 127.576 119.914 0.059 0.000 2.529 415 V HA -0.006 4.114 4.120 -0.000 0.000 0.292 415 V C 1.249 177.384 176.094 0.068 0.000 1.028 415 V CA 0.328 62.667 62.300 0.065 0.000 1.074 415 V CB 0.752 32.620 31.823 0.076 0.000 0.958 415 V HN 0.792 nan 8.190 nan 0.000 0.481 416 L N 3.712 124.975 121.223 0.067 0.000 2.537 416 L HA 0.507 4.847 4.340 -0.000 0.000 0.224 416 L C 0.988 177.895 176.870 0.062 0.000 1.065 416 L CA 0.631 55.504 54.840 0.055 0.000 0.860 416 L CB 0.408 42.487 42.059 0.034 0.000 1.086 416 L HN 0.793 nan 8.230 nan 0.000 0.482 417 G N -0.081 108.767 108.800 0.081 0.000 2.732 417 G HA2 0.672 4.632 3.960 -0.000 0.000 0.296 417 G HA3 0.672 4.632 3.960 -0.000 0.000 0.296 417 G C -1.969 172.972 174.900 0.068 0.000 1.448 417 G CA -0.038 45.111 45.100 0.081 0.000 0.911 417 G HN -0.011 nan 8.290 nan 0.000 0.528 418 A N 1.785 124.542 122.820 -0.104 0.000 2.359 418 A HA 0.849 5.169 4.320 -0.000 0.000 0.303 418 A C -1.058 176.358 177.584 -0.280 0.000 1.066 418 A CA -0.710 51.334 52.037 0.011 0.000 0.730 418 A CB 1.200 20.329 19.000 0.215 0.000 1.211 418 A HN 0.752 nan 8.150 nan 0.000 0.439 419 H N 2.216 121.388 119.070 0.171 0.000 2.689 419 H HA 0.507 5.063 4.556 -0.000 0.000 0.346 419 H C -1.312 174.105 175.328 0.147 0.000 1.037 419 H CA -0.268 55.875 56.048 0.158 0.000 1.234 419 H CB 1.761 31.548 29.762 0.042 0.000 1.572 419 H HN 0.553 nan 8.280 nan 0.000 0.524 420 I N 3.923 124.628 120.570 0.225 0.000 2.436 420 I HA 0.156 4.326 4.170 -0.000 0.000 0.289 420 I C -0.825 175.387 176.117 0.158 0.000 1.010 420 I CA -0.814 60.611 61.300 0.209 0.000 1.098 420 I CB 2.302 40.406 38.000 0.174 0.000 1.266 420 I HN 0.199 nan 8.210 nan 0.000 0.434 421 L N 6.673 128.017 121.223 0.200 0.000 2.377 421 L HA 0.975 5.315 4.340 -0.000 0.000 0.270 421 L C -0.188 176.779 176.870 0.163 0.000 0.991 421 L CA 0.335 55.237 54.840 0.104 0.000 0.851 421 L CB 0.937 43.049 42.059 0.088 0.000 1.218 421 L HN 0.816 nan 8.230 nan 0.000 0.420 422 G N 4.259 113.017 108.800 -0.070 0.000 2.356 422 G HA2 0.177 4.137 3.960 -0.000 0.000 0.288 422 G HA3 0.177 4.137 3.960 -0.000 0.000 0.288 422 G C -3.388 171.165 174.900 -0.579 0.000 1.302 422 G CA -0.558 44.326 45.100 -0.360 0.000 0.887 422 G HN 0.456 nan 8.290 nan 0.000 0.521 423 P HA 0.345 nan 4.420 nan 0.000 0.268 423 P C 1.010 178.051 177.300 -0.432 0.000 1.204 423 P CA 1.785 64.564 63.100 -0.535 0.000 0.768 423 P CB 0.922 32.375 31.700 -0.412 0.000 0.842 424 G N 2.901 111.563 108.800 -0.231 0.000 2.155 424 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.257 424 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.257 424 G C 1.117 175.948 174.900 -0.115 0.000 0.983 424 G CA 0.495 45.518 45.100 -0.129 0.000 0.676 424 G HN 0.701 nan 8.290 nan 0.000 0.528 425 A N 0.079 122.808 122.820 -0.152 0.000 1.917 425 A HA 0.174 4.494 4.320 -0.000 0.000 0.219 425 A C 2.861 180.357 177.584 -0.146 0.000 1.182 425 A CA 2.435 54.409 52.037 -0.106 0.000 0.633 425 A CB -1.049 17.882 19.000 -0.114 0.000 0.819 425 A HN 1.678 nan 8.150 nan 0.000 0.448 426 G N -0.719 107.965 108.800 -0.194 0.000 2.442 426 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 426 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 426 G C 1.419 176.248 174.900 -0.119 0.000 1.141 426 G CA 1.082 46.058 45.100 -0.207 0.000 0.763 426 G HN 0.513 nan 8.290 nan 0.000 0.554 427 E N -0.156 119.997 120.200 -0.077 0.000 2.076 427 E HA 0.010 4.360 4.350 -0.000 0.000 0.190 427 E C 2.366 178.903 176.600 -0.104 0.000 0.979 427 E CA 0.367 56.727 56.400 -0.066 0.000 0.807 427 E CB -0.453 29.226 29.700 -0.035 0.000 0.761 427 E HN 0.480 nan 8.360 nan 0.000 0.454 428 M N 0.764 120.297 119.600 -0.111 0.000 2.213 428 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 428 M C 2.183 178.313 176.300 -0.284 0.000 1.062 428 M CA 0.926 56.124 55.300 -0.170 0.000 1.105 428 M CB 0.033 32.575 32.600 -0.096 0.000 1.385 428 M HN -0.039 nan 8.290 nan 0.000 0.417 429 V N 1.413 121.195 119.914 -0.221 0.000 2.720 429 V HA -0.250 3.870 4.120 -0.000 0.000 0.256 429 V C 1.674 177.636 176.094 -0.220 0.000 1.082 429 V CA 1.785 63.947 62.300 -0.230 0.000 1.101 429 V CB -0.807 30.899 31.823 -0.194 0.000 0.693 429 V HN 0.573 nan 8.190 nan 0.000 0.479 430 N N -0.044 118.539 118.700 -0.194 0.000 2.331 430 N HA -0.159 4.581 4.740 -0.000 0.000 0.180 430 N C 1.782 177.204 175.510 -0.147 0.000 1.019 430 N CA 1.392 54.352 53.050 -0.151 0.000 0.881 430 N CB -0.092 38.321 38.487 -0.122 0.000 0.972 430 N HN 0.685 nan 8.380 nan 0.000 0.435 431 E N 1.118 121.189 120.200 -0.215 0.000 2.107 431 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 431 E C 1.783 178.273 176.600 -0.183 0.000 0.982 431 E CA 0.695 56.977 56.400 -0.195 0.000 0.809 431 E CB 0.084 29.627 29.700 -0.262 0.000 0.756 431 E HN 0.268 nan 8.360 nan 0.000 0.459 432 A N 1.137 123.752 122.820 -0.340 0.000 1.930 432 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 432 A C 2.341 179.925 177.584 0.000 0.000 1.175 432 A CA 1.550 53.520 52.037 -0.111 0.000 0.627 432 A CB -0.559 18.351 19.000 -0.150 0.000 0.815 432 A HN 0.388 nan 8.150 nan 0.000 0.443 433 A N -0.475 122.314 122.820 -0.051 0.000 1.930 433 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 433 A C 2.095 179.697 177.584 0.030 0.000 1.175 433 A CA 1.628 53.659 52.037 -0.011 0.000 0.627 433 A CB -0.544 18.432 19.000 -0.040 0.000 0.815 433 A HN 0.665 nan 8.150 nan 0.000 0.443 434 L N -0.098 121.138 121.223 0.023 0.000 2.017 434 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 434 L C 2.637 179.581 176.870 0.123 0.000 1.073 434 L CA 2.199 57.078 54.840 0.066 0.000 0.745 434 L CB -0.979 41.092 42.059 0.019 0.000 0.894 434 L HN 0.335 nan 8.230 nan 0.000 0.432 435 A N -0.264 122.626 122.820 0.117 0.000 1.873 435 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 435 A C 2.311 179.991 177.584 0.161 0.000 1.193 435 A CA 2.212 54.345 52.037 0.159 0.000 0.629 435 A CB -1.065 18.065 19.000 0.217 0.000 0.826 435 A HN 0.513 nan 8.150 nan 0.000 0.447 436 L N -0.844 120.456 121.223 0.127 0.000 2.079 436 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 436 L C 2.698 179.620 176.870 0.086 0.000 1.081 436 L CA 1.860 56.758 54.840 0.097 0.000 0.752 436 L CB -0.532 41.571 42.059 0.073 0.000 0.896 436 L HN 0.573 nan 8.230 nan 0.000 0.433 437 E N 0.037 120.295 120.200 0.098 0.000 2.110 437 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 437 E C 1.805 178.424 176.600 0.032 0.000 0.988 437 E CA 1.631 58.071 56.400 0.067 0.000 0.804 437 E CB -0.293 29.465 29.700 0.097 0.000 0.745 437 E HN 0.445 nan 8.360 nan 0.000 0.458 438 Y N -0.392 119.916 120.300 0.013 0.000 2.529 438 Y HA 0.233 4.783 4.550 -0.000 0.000 0.290 438 Y C 1.349 177.258 175.900 0.014 0.000 1.177 438 Y CA 0.850 58.957 58.100 0.012 0.000 1.305 438 Y CB 0.437 38.908 38.460 0.017 0.000 1.047 438 Y HN 0.229 nan 8.280 nan 0.000 0.522 439 G N 0.483 109.341 108.800 0.096 0.000 2.246 439 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.273 439 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.273 439 G C 0.334 175.292 174.900 0.096 0.000 1.055 439 G CA 0.001 45.140 45.100 0.065 0.000 0.851 439 G HN 0.639 nan 8.290 nan 0.000 0.500 440 A N -0.115 122.782 122.820 0.128 0.000 2.466 440 A HA 0.688 5.008 4.320 -0.000 0.000 0.238 440 A C 1.107 178.738 177.584 0.078 0.000 1.074 440 A CA 0.932 53.036 52.037 0.112 0.000 0.774 440 A CB 0.344 19.416 19.000 0.120 0.000 1.015 440 A HN 2.082 nan 8.150 nan 0.000 0.498 441 S N 0.278 116.015 115.700 0.062 0.000 2.654 441 S HA 0.290 4.760 4.470 -0.000 0.000 0.283 441 S C 1.005 175.621 174.600 0.028 0.000 1.180 441 S CA -0.220 58.007 58.200 0.045 0.000 1.021 441 S CB 0.848 64.073 63.200 0.041 0.000 1.018 441 S HN 0.709 nan 8.310 nan 0.000 0.532 442 C N 0.919 120.228 119.300 0.015 0.000 2.413 442 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 442 C C 2.682 177.655 174.990 -0.028 0.000 1.265 442 C CA 1.186 60.191 59.018 -0.021 0.000 1.752 442 C CB -1.574 26.160 27.740 -0.011 0.000 1.998 442 C HN 1.102 nan 8.230 nan 0.000 0.489 443 E N 1.066 121.268 120.200 0.003 0.000 2.077 443 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 443 E C 1.473 178.073 176.600 -0.000 0.000 0.989 443 E CA 1.458 57.861 56.400 0.004 0.000 0.800 443 E CB -0.148 29.566 29.700 0.023 0.000 0.746 443 E HN 0.514 nan 8.360 nan 0.000 0.452 444 D N 0.642 121.050 120.400 0.013 0.000 2.126 444 D HA -0.210 4.430 4.640 -0.000 0.000 0.190 444 D C 2.036 178.350 176.300 0.022 0.000 1.001 444 D CA 1.433 55.446 54.000 0.022 0.000 0.841 444 D CB -0.313 40.510 40.800 0.039 0.000 0.949 444 D HN 0.333 nan 8.370 nan 0.000 0.446 445 I N 1.040 121.619 120.570 0.014 0.000 2.179 445 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 445 I C 2.503 178.622 176.117 0.004 0.000 1.088 445 I CA 1.154 62.469 61.300 0.026 0.000 1.357 445 I CB -0.329 37.625 38.000 -0.078 0.000 1.051 445 I HN -0.075 nan 8.210 nan 0.000 0.409 446 A N 0.773 123.551 122.820 -0.069 0.000 1.978 446 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 446 A C 2.332 179.891 177.584 -0.042 0.000 1.170 446 A CA 1.522 53.503 52.037 -0.094 0.000 0.636 446 A CB -0.554 18.391 19.000 -0.091 0.000 0.810 446 A HN 0.383 nan 8.150 nan 0.000 0.448 447 R N -0.891 119.603 120.500 -0.010 0.000 2.297 447 R HA 0.153 4.493 4.340 -0.000 0.000 0.197 447 R C -0.252 176.066 176.300 0.030 0.000 0.943 447 R CA -0.075 56.025 56.100 -0.001 0.000 1.038 447 R CB 0.030 30.325 30.300 -0.009 0.000 0.957 447 R HN 0.323 nan 8.270 nan 0.000 0.484 448 V N 1.198 121.158 119.914 0.078 0.000 2.614 448 V HA -0.026 4.094 4.120 -0.000 0.000 0.291 448 V C 0.509 176.686 176.094 0.138 0.000 1.049 448 V CA -0.697 61.645 62.300 0.070 0.000 1.038 448 V CB 1.397 33.247 31.823 0.046 0.000 0.980 448 V HN 0.283 nan 8.190 nan 0.000 0.481 449 C N 6.864 126.189 119.300 0.042 0.000 2.540 449 C HA 0.345 4.805 4.460 -0.000 0.000 0.377 449 C C 0.395 175.405 174.990 0.034 0.000 1.274 449 C CA -0.403 58.654 59.018 0.064 0.000 1.718 449 C CB -1.816 25.934 27.740 0.016 0.000 2.391 449 C HN 0.900 nan 8.230 nan 0.000 0.565 450 H N 3.219 122.297 119.070 0.014 0.000 2.472 450 H HA 0.542 5.098 4.556 -0.000 0.000 0.335 450 H C 0.556 175.910 175.328 0.044 0.000 1.136 450 H CA 0.468 56.535 56.048 0.031 0.000 1.264 450 H CB 1.175 30.961 29.762 0.040 0.000 1.486 450 H HN 0.863 nan 8.280 nan 0.000 0.517 451 A N 1.919 124.818 122.820 0.132 0.000 2.462 451 A HA 0.201 4.521 4.320 -0.000 0.000 0.243 451 A C -0.466 177.205 177.584 0.143 0.000 1.076 451 A CA 0.038 52.139 52.037 0.107 0.000 0.773 451 A CB -0.317 18.717 19.000 0.056 0.000 1.010 451 A HN 0.862 nan 8.150 nan 0.000 0.493 452 H N 2.582 121.683 119.070 0.051 0.000 2.466 452 H HA 0.632 5.188 4.556 -0.000 0.000 0.338 452 H C -2.396 172.957 175.328 0.043 0.000 1.091 452 H CA -1.584 54.492 56.048 0.048 0.000 1.207 452 H CB 1.302 31.087 29.762 0.037 0.000 1.466 452 H HN 0.532 nan 8.280 nan 0.000 0.493 453 P HA 0.281 nan 4.420 nan 0.000 0.301 453 P C -1.376 175.818 177.300 -0.176 0.000 1.338 453 P CA -0.631 62.083 63.100 -0.643 0.000 0.834 453 P CB 1.603 32.897 31.700 -0.676 0.000 0.967 454 T N -0.951 113.572 114.554 -0.051 0.000 2.900 454 T HA 0.360 4.710 4.350 -0.000 0.000 0.303 454 T C 1.135 175.893 174.700 0.097 0.000 1.142 454 T CA -0.915 61.206 62.100 0.036 0.000 1.007 454 T CB 0.945 69.853 68.868 0.067 0.000 1.156 454 T HN 0.105 nan 8.240 nan 0.000 0.490 455 L N 1.563 122.865 121.223 0.131 0.000 2.191 455 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 455 L C 3.023 180.046 176.870 0.254 0.000 1.103 455 L CA 1.516 56.504 54.840 0.247 0.000 0.769 455 L CB -0.687 41.489 42.059 0.194 0.000 0.908 455 L HN 0.955 nan 8.230 nan 0.000 0.438 456 S N -0.460 115.350 115.700 0.184 0.000 2.442 456 S HA -0.208 4.262 4.470 -0.000 0.000 0.236 456 S C 1.642 176.309 174.600 0.111 0.000 1.007 456 S CA 1.119 59.448 58.200 0.215 0.000 0.965 456 S CB -0.307 63.070 63.200 0.296 0.000 0.773 456 S HN 0.516 nan 8.310 nan 0.000 0.504 457 E N 1.468 121.688 120.200 0.034 0.000 2.153 457 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 457 E C 2.400 178.794 176.600 -0.344 0.000 0.988 457 E CA 0.996 57.307 56.400 -0.148 0.000 0.811 457 E CB -0.426 29.251 29.700 -0.038 0.000 0.746 457 E HN 0.771 nan 8.360 nan 0.000 0.466 458 A N 0.947 123.617 122.820 -0.249 0.000 1.933 458 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 458 A C 1.929 179.318 177.584 -0.325 0.000 1.175 458 A CA 0.991 52.750 52.037 -0.464 0.000 0.628 458 A CB -0.615 18.150 19.000 -0.393 0.000 0.814 458 A HN 0.331 nan 8.150 nan 0.000 0.444 459 F N 0.643 120.440 119.950 -0.255 0.000 2.102 459 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 459 F C 2.318 177.961 175.800 -0.261 0.000 1.105 459 F CA 1.892 59.788 58.000 -0.174 0.000 1.239 459 F CB -0.379 38.586 39.000 -0.060 0.000 0.991 459 F HN 0.226 nan 8.300 nan 0.000 0.474 460 R N 0.406 120.619 120.500 -0.478 0.000 2.083 460 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 460 R C 2.200 178.210 176.300 -0.484 0.000 1.137 460 R CA 1.979 57.700 56.100 -0.631 0.000 0.951 460 R CB -0.439 29.370 30.300 -0.818 0.000 0.851 460 R HN 0.304 nan 8.270 nan 0.000 0.434 461 E N 0.018 119.892 120.200 -0.544 0.000 2.106 461 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 461 E C 1.858 178.300 176.600 -0.263 0.000 0.984 461 E CA 1.206 57.298 56.400 -0.512 0.000 0.806 461 E CB -0.119 28.868 29.700 -1.187 0.000 0.750 461 E HN 0.491 nan 8.360 nan 0.000 0.458 462 A N 1.633 124.301 122.820 -0.252 0.000 2.015 462 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 462 A C 1.918 179.425 177.584 -0.128 0.000 1.163 462 A CA 1.008 52.999 52.037 -0.077 0.000 0.646 462 A CB -0.299 18.672 19.000 -0.049 0.000 0.806 462 A HN 0.138 nan 8.150 nan 0.000 0.448 463 N N -0.385 118.151 118.700 -0.274 0.000 2.250 463 N HA -0.092 4.648 4.740 -0.000 0.000 0.181 463 N C 1.666 177.106 175.510 -0.115 0.000 1.017 463 N CA 1.271 54.179 53.050 -0.237 0.000 0.866 463 N CB -0.215 38.039 38.487 -0.390 0.000 0.985 463 N HN 0.431 nan 8.380 nan 0.000 0.429 464 L N 1.609 122.761 121.223 -0.118 0.000 2.017 464 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 464 L C 2.212 179.124 176.870 0.070 0.000 1.073 464 L CA 1.596 56.415 54.840 -0.034 0.000 0.745 464 L CB -0.947 41.069 42.059 -0.072 0.000 0.894 464 L HN 0.051 nan 8.230 nan 0.000 0.432 465 A N -0.352 122.511 122.820 0.071 0.000 1.908 465 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 465 A C 2.447 180.081 177.584 0.085 0.000 1.181 465 A CA 2.026 54.135 52.037 0.119 0.000 0.627 465 A CB -1.251 17.834 19.000 0.141 0.000 0.818 465 A HN 0.604 nan 8.150 nan 0.000 0.445 466 A N -1.327 121.524 122.820 0.051 0.000 1.969 466 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 466 A C 2.450 180.061 177.584 0.046 0.000 1.169 466 A CA 2.114 54.177 52.037 0.043 0.000 0.635 466 A CB -0.683 18.335 19.000 0.031 0.000 0.810 466 A HN 0.514 nan 8.150 nan 0.000 0.445 467 S N -2.213 113.522 115.700 0.059 0.000 2.371 467 S HA 0.018 4.488 4.470 -0.000 0.000 0.221 467 S C 1.603 176.284 174.600 0.134 0.000 1.036 467 S CA 1.135 59.382 58.200 0.078 0.000 0.965 467 S CB -0.327 62.914 63.200 0.067 0.000 0.845 467 S HN 0.548 nan 8.310 nan 0.000 0.475 468 F N 0.850 120.793 119.950 -0.012 0.000 2.530 468 F HA 0.355 4.882 4.527 0.000 0.000 0.292 468 F C 1.638 177.435 175.800 -0.004 0.000 1.109 468 F CA 1.244 59.239 58.000 -0.008 0.000 1.450 468 F CB 0.314 39.308 39.000 -0.010 0.000 1.114 468 F HN 0.387 nan 8.300 nan 0.000 0.560 469 G N 0.655 109.464 108.800 0.015 0.000 2.307 469 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.210 469 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.210 469 G C 0.236 175.153 174.900 0.027 0.000 1.005 469 G CA -0.025 45.030 45.100 -0.075 0.000 0.634 469 G HN 0.371 nan 8.290 nan 0.000 0.496 470 K N 0.648 121.156 120.400 0.179 0.000 2.469 470 K HA 0.650 4.970 4.320 -0.000 0.000 0.254 470 K C -0.014 176.743 176.600 0.262 0.000 0.939 470 K CA -0.127 56.286 56.287 0.210 0.000 0.812 470 K CB 2.313 34.934 32.500 0.202 0.000 1.301 470 K HN 0.414 nan 8.250 nan 0.000 0.433 471 S N 1.274 117.108 115.700 0.222 0.000 2.730 471 S HA 0.374 4.844 4.470 -0.000 0.000 0.284 471 S C 1.063 175.771 174.600 0.180 0.000 1.153 471 S CA -0.790 57.536 58.200 0.210 0.000 0.995 471 S CB 0.598 64.030 63.200 0.386 0.000 1.058 471 S HN 0.457 nan 8.310 nan 0.000 0.552 472 I N 1.034 121.681 120.570 0.128 0.000 2.339 472 I HA -0.014 4.156 4.170 -0.000 0.000 0.245 472 I C 1.459 177.673 176.117 0.162 0.000 1.096 472 I CA 0.978 62.334 61.300 0.094 0.000 1.408 472 I CB -1.328 36.684 38.000 0.021 0.000 1.092 472 I HN 0.667 nan 8.210 nan 0.000 0.423 473 N N -0.308 118.568 118.700 0.292 0.000 2.314 473 N HA 0.075 4.815 4.740 -0.000 0.000 0.200 473 N C -0.166 175.577 175.510 0.389 0.000 1.135 473 N CA 0.164 53.422 53.050 0.346 0.000 0.835 473 N CB 0.844 39.575 38.487 0.406 0.000 0.989 473 N HN 0.157 nan 8.380 nan 0.000 0.478 474 F N 0.000 120.036 119.950 0.143 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 57.970 58.000 -0.051 0.000 1.383 474 F CB 0.000 38.776 39.000 -0.374 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574