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 2z2c_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERDGSV HIDARDVNVF CAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCTIGAR PVDLHISGLE QLGATIKLEE GYVKASVDGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM CAATLAEGTT IIENAAREPE IVDTANFLIT DATA SEQUENCE LGAKISGQGT DRIVIEGVER LGGGVYRVLP DRIETGTFLV AAAISRGKII DATA SEQUENCE CRNAQPDTLD AVLAKLRDAG ADIEVGEDWI SLDMHGKRPK AVNVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GFITETVFEN RFMHVPELSR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 2 D N 4.703 125.121 120.400 0.030 0.000 2.423 2 D HA 0.318 4.957 4.640 -0.002 0.000 0.238 2 D C -0.452 175.868 176.300 0.033 0.000 1.142 2 D CA 0.641 54.666 54.000 0.042 0.000 0.884 2 D CB 0.800 41.626 40.800 0.044 0.000 1.199 2 D HN 0.563 nan 8.370 nan 0.000 0.438 3 K N 0.073 120.509 120.400 0.061 0.000 2.480 3 K HA 0.527 4.846 4.320 -0.002 0.000 0.258 3 K C -1.119 175.609 176.600 0.214 0.000 0.990 3 K CA -0.907 55.416 56.287 0.060 0.000 0.857 3 K CB 1.316 33.860 32.500 0.073 0.000 1.384 3 K HN 0.031 nan 8.250 nan 0.000 0.446 4 F N 1.377 121.342 119.950 0.024 0.000 2.415 4 F HA 0.397 4.923 4.527 -0.002 0.000 0.348 4 F C 0.451 176.258 175.800 0.011 0.000 1.119 4 F CA -1.196 56.812 58.000 0.014 0.000 1.069 4 F CB 1.542 40.543 39.000 0.002 0.000 1.124 4 F HN 0.466 nan 8.300 nan 0.000 0.472 5 R N 3.704 124.309 120.500 0.174 0.000 2.198 5 R HA 0.593 4.933 4.340 -0.002 0.000 0.339 5 R C -1.576 174.746 176.300 0.037 0.000 1.020 5 R CA -0.222 55.928 56.100 0.084 0.000 0.864 5 R CB 0.641 30.973 30.300 0.054 0.000 1.105 5 R HN 0.454 nan 8.270 nan 0.000 0.463 6 V N 4.415 124.354 119.914 0.042 0.000 2.513 6 V HA 0.345 4.464 4.120 -0.002 0.000 0.299 6 V C -0.385 175.713 176.094 0.008 0.000 1.035 6 V CA -0.943 61.363 62.300 0.010 0.000 0.889 6 V CB 1.866 33.706 31.823 0.028 0.000 0.988 6 V HN 0.668 nan 8.190 nan 0.000 0.440 7 Q N 2.406 122.202 119.800 -0.007 0.000 2.331 7 Q HA 0.707 5.046 4.340 -0.002 0.000 0.267 7 Q C 0.015 176.013 176.000 -0.004 0.000 1.006 7 Q CA -0.185 55.616 55.803 -0.003 0.000 0.818 7 Q CB 2.443 31.176 28.738 -0.008 0.000 1.276 7 Q HN 1.000 nan 8.270 nan 0.000 0.450 8 G N 2.232 111.033 108.800 0.001 0.000 2.658 8 G HA2 0.762 4.721 3.960 -0.002 0.000 0.292 8 G HA3 0.762 4.721 3.960 -0.002 0.000 0.292 8 G C -2.823 172.078 174.900 0.002 0.000 1.320 8 G CA -1.292 43.809 45.100 0.001 0.000 0.933 8 G HN 0.296 nan 8.290 nan 0.000 0.476 9 P HA 0.516 nan 4.420 nan 0.000 0.278 9 P C -0.753 176.546 177.300 -0.002 0.000 1.258 9 P CA -0.229 62.871 63.100 0.001 0.000 0.811 9 P CB 2.027 33.729 31.700 0.002 0.000 1.063 10 T N -0.117 114.435 114.554 -0.002 0.000 3.193 10 T HA 0.217 4.566 4.350 -0.002 0.000 0.332 10 T C -1.092 173.606 174.700 -0.003 0.000 1.208 10 T CA -0.711 61.386 62.100 -0.004 0.000 1.080 10 T CB 0.966 69.830 68.868 -0.007 0.000 1.180 10 T HN 0.398 nan 8.240 nan 0.000 0.469 11 K N 5.008 125.406 120.400 -0.003 0.000 2.276 11 K HA 0.453 4.772 4.320 -0.002 0.000 0.285 11 K C -0.511 176.089 176.600 -0.001 0.000 1.062 11 K CA -0.512 55.773 56.287 -0.003 0.000 0.918 11 K CB 0.372 32.868 32.500 -0.005 0.000 1.055 11 K HN 0.532 nan 8.250 nan 0.000 0.477 12 L N 4.787 126.013 121.223 0.005 0.000 2.313 12 L HA 0.221 4.560 4.340 -0.002 0.000 0.282 12 L C -0.204 176.672 176.870 0.010 0.000 1.092 12 L CA -0.194 54.656 54.840 0.016 0.000 0.831 12 L CB 0.872 42.954 42.059 0.038 0.000 1.159 12 L HN 0.734 nan 8.230 nan 0.000 0.442 13 Q N 3.041 122.842 119.800 0.002 0.000 2.386 13 Q HA 0.700 5.039 4.340 -0.002 0.000 0.274 13 Q C -0.531 175.456 176.000 -0.023 0.000 1.011 13 Q CA 0.143 55.939 55.803 -0.011 0.000 0.867 13 Q CB 2.408 31.133 28.738 -0.020 0.000 1.409 13 Q HN 0.706 nan 8.270 nan 0.000 0.395 14 G N 2.100 110.881 108.800 -0.032 0.000 2.113 14 G HA2 0.028 3.987 3.960 -0.002 0.000 0.082 14 G HA3 0.028 3.987 3.960 -0.002 0.000 0.082 14 G C -1.346 173.519 174.900 -0.059 0.000 1.155 14 G CA -0.112 44.960 45.100 -0.047 0.000 1.241 14 G HN 0.709 nan 8.290 nan 0.000 0.453 15 E N -1.079 119.075 120.200 -0.078 0.000 2.331 15 E HA 0.613 4.962 4.350 -0.002 0.000 0.275 15 E C -1.771 174.741 176.600 -0.147 0.000 0.895 15 E CA -0.669 55.673 56.400 -0.097 0.000 0.753 15 E CB 3.091 32.738 29.700 -0.089 0.000 1.216 15 E HN 0.748 nan 8.360 nan 0.000 0.434 16 V N 2.400 122.203 119.914 -0.186 0.000 2.888 16 V HA 0.477 4.597 4.120 -0.002 0.000 0.309 16 V C -1.198 174.777 176.094 -0.198 0.000 1.114 16 V CA -0.300 61.817 62.300 -0.305 0.000 0.940 16 V CB 2.494 33.905 31.823 -0.686 0.000 1.021 16 V HN 0.749 nan 8.190 nan 0.000 0.426 17 T N 7.358 121.815 114.554 -0.161 0.000 2.743 17 T HA 0.507 4.856 4.350 -0.002 0.000 0.292 17 T C -0.167 174.504 174.700 -0.049 0.000 0.972 17 T CA -0.254 61.801 62.100 -0.076 0.000 0.967 17 T CB 0.513 69.354 68.868 -0.045 0.000 0.926 17 T HN 0.403 nan 8.240 nan 0.000 0.459 18 I N 3.172 123.740 120.570 -0.002 0.000 2.496 18 I HA 0.169 4.338 4.170 -0.002 0.000 0.285 18 I C 1.158 177.305 176.117 0.050 0.000 1.080 18 I CA 0.014 61.345 61.300 0.053 0.000 1.404 18 I CB 0.483 38.531 38.000 0.079 0.000 1.403 18 I HN 0.548 nan 8.210 nan 0.000 0.539 19 S N 3.989 119.732 115.700 0.072 0.000 2.645 19 S HA 0.482 4.951 4.470 -0.002 0.000 0.266 19 S C 0.656 175.278 174.600 0.037 0.000 1.258 19 S CA -0.558 57.674 58.200 0.052 0.000 0.990 19 S CB 1.216 64.457 63.200 0.069 0.000 0.967 19 S HN 0.854 nan 8.310 nan 0.000 0.556 20 G N 0.441 109.254 108.800 0.020 0.000 2.484 20 G HA2 0.413 4.372 3.960 -0.002 0.000 0.235 20 G HA3 0.413 4.372 3.960 -0.002 0.000 0.235 20 G C 0.055 174.958 174.900 0.005 0.000 1.282 20 G CA -0.280 44.825 45.100 0.008 0.000 0.857 20 G HN 0.935 nan 8.290 nan 0.000 0.571 21 A N 1.883 124.704 122.820 0.002 0.000 2.553 21 A HA 0.155 4.474 4.320 -0.002 0.000 0.258 21 A C 1.735 179.315 177.584 -0.007 0.000 1.069 21 A CA 0.568 52.601 52.037 -0.006 0.000 0.767 21 A CB 0.084 19.082 19.000 -0.004 0.000 0.997 21 A HN 0.943 nan 8.150 nan 0.000 0.512 22 K N 2.465 122.853 120.400 -0.020 0.000 2.089 22 K HA -0.221 4.098 4.320 -0.002 0.000 0.210 22 K C 0.696 177.319 176.600 0.038 0.000 1.048 22 K CA 2.143 58.427 56.287 -0.006 0.000 0.926 22 K CB -0.091 32.382 32.500 -0.045 0.000 0.714 22 K HN 0.736 nan 8.250 nan 0.000 0.448 23 N N -0.310 118.414 118.700 0.040 0.000 2.398 23 N HA 0.039 4.778 4.740 -0.002 0.000 0.188 23 N C 0.814 176.366 175.510 0.069 0.000 1.122 23 N CA 0.735 53.845 53.050 0.101 0.000 0.866 23 N CB 0.693 39.235 38.487 0.093 0.000 0.970 23 N HN 0.339 nan 8.380 nan 0.000 0.462 24 A N 0.155 122.985 122.820 0.017 0.000 1.963 24 A HA 0.396 4.715 4.320 -0.002 0.000 0.207 24 A C 2.196 179.743 177.584 -0.060 0.000 1.243 24 A CA 0.826 52.846 52.037 -0.028 0.000 0.728 24 A CB -0.468 18.530 19.000 -0.003 0.000 0.895 24 A HN 0.171 nan 8.150 nan 0.000 0.467 25 A N 0.459 123.260 122.820 -0.032 0.000 1.908 25 A HA -0.106 4.213 4.320 -0.002 0.000 0.218 25 A C 2.138 179.687 177.584 -0.059 0.000 1.181 25 A CA 1.651 53.651 52.037 -0.062 0.000 0.627 25 A CB -0.724 18.256 19.000 -0.033 0.000 0.818 25 A HN 0.466 nan 8.150 nan 0.000 0.445 26 L N -0.235 121.025 121.223 0.061 0.000 1.994 26 L HA -0.105 4.234 4.340 -0.002 0.000 0.208 26 L C -0.260 176.749 176.870 0.232 0.000 1.071 26 L CA 1.652 56.628 54.840 0.228 0.000 0.745 26 L CB -1.634 40.701 42.059 0.461 0.000 0.892 26 L HN 0.296 nan 8.230 nan 0.000 0.431 27 P HA -0.150 nan 4.420 nan 0.000 0.219 27 P C 1.845 178.940 177.300 -0.342 0.000 1.150 27 P CA 1.527 64.262 63.100 -0.609 0.000 0.814 27 P CB 0.063 31.134 31.700 -1.048 0.000 0.787 28 I N -0.992 119.367 120.570 -0.352 0.000 2.252 28 I HA -0.214 3.955 4.170 -0.002 0.000 0.245 28 I C 2.287 178.098 176.117 -0.510 0.000 1.102 28 I CA 0.925 61.869 61.300 -0.594 0.000 1.385 28 I CB -0.718 36.818 38.000 -0.773 0.000 1.064 28 I HN -0.146 nan 8.210 nan 0.000 0.414 29 L N 0.075 121.093 121.223 -0.341 0.000 2.013 29 L HA -0.237 4.102 4.340 -0.002 0.000 0.212 29 L C 2.326 179.010 176.870 -0.310 0.000 1.073 29 L CA 2.139 56.777 54.840 -0.336 0.000 0.753 29 L CB -1.283 40.550 42.059 -0.376 0.000 0.890 29 L HN 0.127 nan 8.230 nan 0.000 0.432 30 F N -0.713 119.222 119.950 -0.025 0.000 2.234 30 F HA -0.103 4.423 4.527 -0.001 0.000 0.299 30 F C 2.404 178.225 175.800 0.036 0.000 1.087 30 F CA 0.956 58.986 58.000 0.051 0.000 1.340 30 F CB -0.966 38.126 39.000 0.154 0.000 1.031 30 F HN 0.065 nan 8.300 nan 0.000 0.500 31 A N 0.142 123.031 122.820 0.114 0.000 1.969 31 A HA -0.016 4.303 4.320 -0.002 0.000 0.218 31 A C 2.382 180.115 177.584 0.247 0.000 1.169 31 A CA 1.332 53.459 52.037 0.150 0.000 0.635 31 A CB -1.208 17.879 19.000 0.145 0.000 0.810 31 A HN 0.276 nan 8.150 nan 0.000 0.445 32 A N -0.237 122.706 122.820 0.206 0.000 2.139 32 A HA -0.074 4.245 4.320 -0.002 0.000 0.221 32 A C 1.934 179.617 177.584 0.164 0.000 1.159 32 A CA 1.392 53.570 52.037 0.234 0.000 0.662 32 A CB -0.642 18.429 19.000 0.118 0.000 0.796 32 A HN 0.507 nan 8.150 nan 0.000 0.463 33 L N -1.039 120.283 121.223 0.164 0.000 2.362 33 L HA -0.099 4.240 4.340 -0.002 0.000 0.219 33 L C 2.086 179.066 176.870 0.183 0.000 1.134 33 L CA 0.468 55.429 54.840 0.202 0.000 0.807 33 L CB -0.304 41.914 42.059 0.264 0.000 0.927 33 L HN 0.394 nan 8.230 nan 0.000 0.447 34 L N -0.466 120.835 121.223 0.129 0.000 2.270 34 L HA 0.088 4.427 4.340 -0.002 0.000 0.210 34 L C 1.505 178.384 176.870 0.016 0.000 1.104 34 L CA -0.197 54.672 54.840 0.048 0.000 0.804 34 L CB -0.417 41.660 42.059 0.030 0.000 0.937 34 L HN 0.123 nan 8.230 nan 0.000 0.450 35 A N 0.515 123.367 122.820 0.053 0.000 2.477 35 A HA 0.067 4.386 4.320 -0.002 0.000 0.246 35 A C 0.743 178.350 177.584 0.038 0.000 1.078 35 A CA 0.056 52.110 52.037 0.029 0.000 0.770 35 A CB 0.075 19.112 19.000 0.062 0.000 1.011 35 A HN 0.377 nan 8.150 nan 0.000 0.494 36 E N 0.745 120.952 120.200 0.011 0.000 2.538 36 E HA 0.144 4.493 4.350 -0.002 0.000 0.207 36 E C -0.603 176.012 176.600 0.025 0.000 1.002 36 E CA 0.099 56.512 56.400 0.021 0.000 0.952 36 E CB 0.561 30.258 29.700 -0.006 0.000 1.031 36 E HN 0.771 nan 8.360 nan 0.000 0.476 37 E N 0.436 120.650 120.200 0.024 0.000 2.343 37 E HA 0.302 4.651 4.350 -0.002 0.000 0.270 37 E C -2.722 173.906 176.600 0.046 0.000 0.895 37 E CA -2.508 53.909 56.400 0.029 0.000 0.767 37 E CB 1.762 31.470 29.700 0.012 0.000 1.248 37 E HN -0.186 nan 8.360 nan 0.000 0.440 38 P HA -0.020 nan 4.420 nan 0.000 0.267 38 P C -1.038 176.312 177.300 0.083 0.000 1.195 38 P CA 0.101 63.248 63.100 0.078 0.000 0.773 38 P CB 0.439 32.189 31.700 0.084 0.000 0.837 39 V N 1.902 121.877 119.914 0.101 0.000 2.686 39 V HA 0.297 4.416 4.120 -0.002 0.000 0.306 39 V C -0.259 175.855 176.094 0.034 0.000 1.065 39 V CA -0.484 61.880 62.300 0.108 0.000 0.894 39 V CB 1.983 33.915 31.823 0.183 0.000 1.004 39 V HN 0.505 nan 8.190 nan 0.000 0.424 40 E N 4.468 124.651 120.200 -0.029 0.000 2.165 40 E HA 0.599 4.948 4.350 -0.002 0.000 0.266 40 E C -1.455 175.089 176.600 -0.093 0.000 0.889 40 E CA -0.607 55.631 56.400 -0.269 0.000 0.756 40 E CB 1.455 30.942 29.700 -0.354 0.000 1.131 40 E HN 0.639 nan 8.360 nan 0.000 0.411 41 I N 4.606 125.097 120.570 -0.132 0.000 2.328 41 I HA 0.172 4.341 4.170 -0.002 0.000 0.287 41 I C 0.110 176.177 176.117 -0.083 0.000 1.012 41 I CA -0.456 60.807 61.300 -0.060 0.000 1.195 41 I CB 1.422 39.349 38.000 -0.121 0.000 1.350 41 I HN 0.414 nan 8.210 nan 0.000 0.464 42 Q N 4.094 123.864 119.800 -0.051 0.000 2.221 42 Q HA 0.307 4.646 4.340 -0.002 0.000 0.242 42 Q C 0.324 176.300 176.000 -0.041 0.000 0.940 42 Q CA -0.700 55.072 55.803 -0.052 0.000 0.896 42 Q CB 0.843 29.549 28.738 -0.054 0.000 1.226 42 Q HN 0.576 nan 8.270 nan 0.000 0.463 43 N N -0.378 118.305 118.700 -0.028 0.000 2.754 43 N HA -0.162 4.577 4.740 -0.002 0.000 0.248 43 N C -1.681 173.821 175.510 -0.014 0.000 1.093 43 N CA 0.257 53.296 53.050 -0.019 0.000 0.699 43 N CB -0.954 37.516 38.487 -0.029 0.000 1.016 43 N HN 0.326 nan 8.380 nan 0.000 0.552 44 V N 1.718 121.623 119.914 -0.014 0.000 2.432 44 V HA 0.391 4.510 4.120 -0.002 0.000 0.271 44 V C -1.508 174.587 176.094 0.002 0.000 1.046 44 V CA -1.038 61.254 62.300 -0.014 0.000 0.945 44 V CB 1.208 33.014 31.823 -0.028 0.000 0.992 44 V HN 0.193 nan 8.190 nan 0.000 0.471 45 P HA 0.185 nan 4.420 nan 0.000 0.275 45 P C -0.814 176.500 177.300 0.024 0.000 1.228 45 P CA -0.525 62.587 63.100 0.021 0.000 0.786 45 P CB 0.663 32.376 31.700 0.022 0.000 0.927 46 K N 3.314 123.735 120.400 0.035 0.000 2.220 46 K HA 0.382 4.701 4.320 -0.002 0.000 0.283 46 K C -0.073 176.556 176.600 0.048 0.000 1.098 46 K CA -0.082 56.228 56.287 0.038 0.000 0.928 46 K CB -0.147 32.378 32.500 0.041 0.000 1.214 46 K HN 0.440 nan 8.250 nan 0.000 0.442 47 L N 1.778 123.024 121.223 0.039 0.000 2.376 47 L HA 0.303 4.642 4.340 -0.002 0.000 0.258 47 L C 1.062 177.956 176.870 0.038 0.000 1.013 47 L CA -1.036 53.830 54.840 0.043 0.000 0.822 47 L CB 1.683 43.759 42.059 0.028 0.000 1.388 47 L HN 0.304 nan 8.230 nan 0.000 0.413 48 K N 0.643 121.069 120.400 0.044 0.000 2.057 48 K HA -0.144 4.175 4.320 -0.002 0.000 0.207 48 K C 1.120 177.743 176.600 0.038 0.000 1.049 48 K CA 1.849 58.161 56.287 0.041 0.000 0.931 48 K CB 0.067 32.596 32.500 0.049 0.000 0.714 48 K HN 0.578 nan 8.250 nan 0.000 0.440 49 D N -0.441 119.983 120.400 0.041 0.000 2.178 49 D HA -0.092 4.547 4.640 -0.002 0.000 0.202 49 D C 1.764 178.097 176.300 0.055 0.000 0.974 49 D CA 0.828 54.861 54.000 0.054 0.000 0.841 49 D CB 0.014 40.849 40.800 0.059 0.000 0.953 49 D HN 0.021 nan 8.370 nan 0.000 0.478 50 V N 1.293 121.228 119.914 0.034 0.000 2.295 50 V HA -0.230 3.890 4.120 -0.002 0.000 0.246 50 V C 1.786 177.878 176.094 -0.003 0.000 1.049 50 V CA 1.735 64.040 62.300 0.008 0.000 1.024 50 V CB -0.425 31.399 31.823 0.002 0.000 0.648 50 V HN 0.104 nan 8.190 nan 0.000 0.447 51 D N 0.131 120.538 120.400 0.011 0.000 2.116 51 D HA -0.169 4.470 4.640 -0.002 0.000 0.193 51 D C 2.272 178.578 176.300 0.010 0.000 0.998 51 D CA 2.069 56.074 54.000 0.009 0.000 0.836 51 D CB -0.647 40.163 40.800 0.016 0.000 0.951 51 D HN 0.415 nan 8.370 nan 0.000 0.449 52 T N 0.283 114.852 114.554 0.025 0.000 2.720 52 T HA -0.121 4.229 4.350 -0.002 0.000 0.268 52 T C 2.202 176.931 174.700 0.048 0.000 1.037 52 T CA 1.507 63.631 62.100 0.040 0.000 1.144 52 T CB -0.325 68.577 68.868 0.057 0.000 0.864 52 T HN 0.044 nan 8.240 nan 0.000 0.444 53 S N 1.246 116.963 115.700 0.029 0.000 2.359 53 S HA -0.074 4.396 4.470 -0.002 0.000 0.224 53 S C 2.142 176.663 174.600 -0.132 0.000 1.035 53 S CA 1.289 59.435 58.200 -0.091 0.000 1.018 53 S CB -0.424 62.651 63.200 -0.208 0.000 0.876 53 S HN 0.420 nan 8.310 nan 0.000 0.448 54 M N 1.120 120.669 119.600 -0.084 0.000 2.080 54 M HA -0.179 4.300 4.480 -0.002 0.000 0.260 54 M C 2.206 178.487 176.300 -0.032 0.000 1.068 54 M CA 1.511 56.774 55.300 -0.062 0.000 1.109 54 M CB -0.529 32.049 32.600 -0.036 0.000 1.342 54 M HN 0.200 nan 8.290 nan 0.000 0.405 55 K N 0.308 120.703 120.400 -0.009 0.000 2.044 55 K HA -0.187 4.132 4.320 -0.002 0.000 0.210 55 K C 2.025 178.633 176.600 0.013 0.000 1.049 55 K CA 1.310 57.600 56.287 0.004 0.000 0.927 55 K CB -0.516 31.993 32.500 0.014 0.000 0.713 55 K HN 0.366 nan 8.250 nan 0.000 0.443 56 L N 1.079 122.323 121.223 0.035 0.000 2.093 56 L HA -0.155 4.184 4.340 -0.002 0.000 0.208 56 L C 2.124 179.024 176.870 0.050 0.000 1.085 56 L CA 1.064 55.949 54.840 0.074 0.000 0.755 56 L CB -0.268 41.895 42.059 0.174 0.000 0.904 56 L HN 0.162 nan 8.230 nan 0.000 0.435 57 L N 0.110 121.328 121.223 -0.008 0.000 1.989 57 L HA -0.206 4.133 4.340 -0.002 0.000 0.211 57 L C 2.808 179.673 176.870 -0.008 0.000 1.071 57 L CA 1.922 56.749 54.840 -0.023 0.000 0.749 57 L CB -1.262 40.744 42.059 -0.087 0.000 0.890 57 L HN 0.218 nan 8.230 nan 0.000 0.431 58 S N -1.008 114.684 115.700 -0.014 0.000 2.383 58 S HA -0.246 4.223 4.470 -0.002 0.000 0.229 58 S C 1.786 176.373 174.600 -0.022 0.000 1.030 58 S CA 1.128 59.320 58.200 -0.014 0.000 1.002 58 S CB -0.298 62.895 63.200 -0.012 0.000 0.829 58 S HN 0.538 nan 8.310 nan 0.000 0.467 59 Q N 0.262 120.052 119.800 -0.016 0.000 2.369 59 Q HA 0.126 4.465 4.340 -0.002 0.000 0.206 59 Q C 1.540 177.504 176.000 -0.060 0.000 0.963 59 Q CA 0.624 56.410 55.803 -0.028 0.000 0.894 59 Q CB -0.241 28.494 28.738 -0.005 0.000 0.965 59 Q HN 0.514 nan 8.270 nan 0.000 0.475 60 L N -1.289 119.903 121.223 -0.051 0.000 2.591 60 L HA 0.190 4.529 4.340 -0.002 0.000 0.228 60 L C 1.099 177.879 176.870 -0.150 0.000 1.133 60 L CA 0.418 55.193 54.840 -0.108 0.000 0.880 60 L CB 0.175 42.218 42.059 -0.026 0.000 1.033 60 L HN 0.347 nan 8.230 nan 0.000 0.450 61 G N 0.073 108.818 108.800 -0.092 0.000 2.144 61 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.218 61 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.218 61 G C 0.338 175.222 174.900 -0.027 0.000 0.988 61 G CA -0.083 44.971 45.100 -0.077 0.000 0.659 61 G HN 0.460 nan 8.290 nan 0.000 0.522 62 A N -0.523 122.294 122.820 -0.004 0.000 2.332 62 A HA 0.741 5.060 4.320 -0.002 0.000 0.258 62 A C 0.345 177.936 177.584 0.012 0.000 1.087 62 A CA 0.260 52.311 52.037 0.022 0.000 0.802 62 A CB 0.512 19.534 19.000 0.037 0.000 1.042 62 A HN 0.287 nan 8.150 nan 0.000 0.489 63 K N 0.051 120.465 120.400 0.023 0.000 2.185 63 K HA 0.630 4.949 4.320 -0.002 0.000 0.269 63 K C -1.173 175.443 176.600 0.026 0.000 0.987 63 K CA -0.149 56.150 56.287 0.019 0.000 0.865 63 K CB 1.656 34.169 32.500 0.022 0.000 1.090 63 K HN 0.339 nan 8.250 nan 0.000 0.450 64 V N 2.052 121.978 119.914 0.019 0.000 2.733 64 V HA 0.478 4.598 4.120 -0.002 0.000 0.306 64 V C -0.891 175.219 176.094 0.027 0.000 1.084 64 V CA -0.773 61.542 62.300 0.025 0.000 0.905 64 V CB 2.089 33.913 31.823 0.002 0.000 1.010 64 V HN 0.687 nan 8.190 nan 0.000 0.424 65 E N 2.900 123.132 120.200 0.054 0.000 2.408 65 E HA 0.906 5.255 4.350 -0.002 0.000 0.275 65 E C -0.946 175.706 176.600 0.087 0.000 0.935 65 E CA -0.801 55.625 56.400 0.043 0.000 0.775 65 E CB 2.612 32.312 29.700 -0.001 0.000 1.277 65 E HN 0.814 nan 8.360 nan 0.000 0.455 66 R N 0.847 121.385 120.500 0.064 0.000 2.687 66 R HA 0.335 4.674 4.340 -0.002 0.000 0.265 66 R C -0.450 175.879 176.300 0.049 0.000 1.048 66 R CA -0.588 55.562 56.100 0.084 0.000 0.884 66 R CB 0.401 30.735 30.300 0.056 0.000 1.258 66 R HN 0.511 nan 8.270 nan 0.000 0.469 67 D N 2.089 122.529 120.400 0.066 0.000 1.966 67 D HA -0.079 4.561 4.640 -0.002 0.000 0.256 67 D C 1.601 177.920 176.300 0.032 0.000 0.991 67 D CA 1.510 55.535 54.000 0.043 0.000 0.928 67 D CB -1.178 39.650 40.800 0.047 0.000 1.166 67 D HN 0.644 nan 8.370 nan 0.000 0.469 68 G N -0.383 108.440 108.800 0.037 0.000 2.469 68 G HA2 -0.126 3.834 3.960 -0.002 0.000 0.219 68 G HA3 -0.126 3.834 3.960 -0.002 0.000 0.219 68 G C 0.769 175.681 174.900 0.020 0.000 1.150 68 G CA 1.189 46.304 45.100 0.025 0.000 0.763 68 G HN 0.432 nan 8.290 nan 0.000 0.561 69 S N -1.272 114.452 115.700 0.039 0.000 2.608 69 S HA 0.584 5.053 4.470 -0.002 0.000 0.291 69 S C -0.559 174.064 174.600 0.039 0.000 1.146 69 S CA -0.617 57.584 58.200 0.002 0.000 1.043 69 S CB 2.466 65.645 63.200 -0.035 0.000 1.037 69 S HN 0.048 nan 8.310 nan 0.000 0.520 70 V N 3.447 123.339 119.914 -0.036 0.000 2.417 70 V HA 0.351 4.470 4.120 -0.002 0.000 0.291 70 V C -0.414 175.648 176.094 -0.053 0.000 1.024 70 V CA -0.639 61.665 62.300 0.007 0.000 0.861 70 V CB 1.040 32.843 31.823 -0.033 0.000 0.985 70 V HN 0.822 nan 8.190 nan 0.000 0.436 71 H N 5.377 124.448 119.070 0.001 0.000 2.467 71 H HA 0.601 5.156 4.556 -0.001 0.000 0.326 71 H C -0.791 174.542 175.328 0.009 0.000 1.094 71 H CA -0.326 55.731 56.048 0.014 0.000 1.253 71 H CB 2.156 31.928 29.762 0.017 0.000 1.439 71 H HN 0.463 nan 8.280 nan 0.000 0.479 72 I N 2.325 122.959 120.570 0.107 0.000 2.545 72 I HA 0.082 4.251 4.170 -0.002 0.000 0.292 72 I C -0.501 175.669 176.117 0.088 0.000 1.040 72 I CA -0.647 60.697 61.300 0.074 0.000 1.068 72 I CB 2.247 40.270 38.000 0.037 0.000 1.251 72 I HN 0.496 nan 8.210 nan 0.000 0.424 73 D N 4.850 125.295 120.400 0.075 0.000 2.440 73 D HA 0.477 5.116 4.640 -0.002 0.000 0.252 73 D C 0.068 176.413 176.300 0.075 0.000 1.180 73 D CA -0.404 53.641 54.000 0.075 0.000 0.894 73 D CB 1.809 42.649 40.800 0.066 0.000 1.111 73 D HN 0.598 nan 8.370 nan 0.000 0.544 74 A N 4.079 126.956 122.820 0.094 0.000 2.370 74 A HA 0.134 4.453 4.320 -0.002 0.000 0.238 74 A C 1.867 179.540 177.584 0.149 0.000 1.289 74 A CA -0.133 51.978 52.037 0.122 0.000 0.885 74 A CB -0.175 18.915 19.000 0.150 0.000 0.961 74 A HN 0.564 nan 8.150 nan 0.000 0.499 75 R N 0.493 121.061 120.500 0.113 0.000 2.091 75 R HA -0.111 4.228 4.340 -0.002 0.000 0.238 75 R C 0.090 176.477 176.300 0.145 0.000 1.136 75 R CA 1.565 57.734 56.100 0.116 0.000 0.959 75 R CB -0.086 30.261 30.300 0.079 0.000 0.856 75 R HN 0.440 nan 8.270 nan 0.000 0.437 76 D N 0.576 121.041 120.400 0.108 0.000 2.491 76 D HA 0.071 4.710 4.640 -0.002 0.000 0.228 76 D C -0.423 175.909 176.300 0.053 0.000 1.183 76 D CA 0.013 54.062 54.000 0.083 0.000 0.827 76 D CB 0.512 41.338 40.800 0.044 0.000 0.989 76 D HN -0.079 nan 8.370 nan 0.000 0.494 77 V N 2.866 122.843 119.914 0.105 0.000 2.540 77 V HA -0.043 4.077 4.120 -0.002 0.000 0.297 77 V C 1.351 177.321 176.094 -0.206 0.000 1.024 77 V CA 0.665 62.957 62.300 -0.013 0.000 1.105 77 V CB 0.194 32.089 31.823 0.119 0.000 0.938 77 V HN 0.409 nan 8.190 nan 0.000 0.482 78 N N 2.467 120.918 118.700 -0.415 0.000 2.081 78 N HA 0.139 4.878 4.740 -0.002 0.000 0.230 78 N C -0.772 174.075 175.510 -1.105 0.000 1.351 78 N CA -0.299 52.390 53.050 -0.601 0.000 0.840 78 N CB 1.163 39.510 38.487 -0.235 0.000 1.189 78 N HN 0.411 nan 8.380 nan 0.000 0.503 79 V N 1.481 120.707 119.914 -1.146 0.000 2.588 79 V HA 0.441 4.560 4.120 -0.002 0.000 0.304 79 V C -1.009 174.491 176.094 -0.990 0.000 1.042 79 V CA -0.539 61.165 62.300 -0.993 0.000 0.877 79 V CB 1.311 32.877 31.823 -0.428 0.000 0.996 79 V HN 0.150 nan 8.190 nan 0.000 0.425 80 F N 1.868 121.751 119.950 -0.113 0.000 2.764 80 F HA 0.395 4.921 4.527 -0.002 0.000 0.310 80 F C 0.390 176.171 175.800 -0.031 0.000 1.124 80 F CA -0.409 57.544 58.000 -0.078 0.000 1.252 80 F CB 0.592 39.534 39.000 -0.097 0.000 1.010 80 F HN 0.405 nan 8.300 nan 0.000 0.518 81 C N 2.347 121.660 119.300 0.022 0.000 2.298 81 C HA 0.837 5.296 4.460 -0.002 0.000 0.323 81 C C 0.529 175.543 174.990 0.039 0.000 1.284 81 C CA -0.609 58.413 59.018 0.007 0.000 1.577 81 C CB -0.695 26.983 27.740 -0.102 0.000 2.249 81 C HN 0.461 nan 8.230 nan 0.000 0.497 82 A N 9.306 132.189 122.820 0.105 0.000 2.343 82 A HA 0.620 4.939 4.320 -0.002 0.000 0.305 82 A C -2.319 175.383 177.584 0.197 0.000 1.308 82 A CA -0.840 51.277 52.037 0.133 0.000 0.949 82 A CB -0.022 19.057 19.000 0.132 0.000 1.148 82 A HN 0.784 nan 8.150 nan 0.000 0.545 83 P HA 0.118 nan 4.420 nan 0.000 0.278 83 P C 0.388 177.850 177.300 0.269 0.000 1.258 83 P CA -0.388 62.879 63.100 0.278 0.000 0.811 83 P CB 0.688 32.486 31.700 0.163 0.000 1.063 84 Y N 2.282 122.706 120.300 0.208 0.000 2.165 84 Y HA -0.322 4.227 4.550 -0.002 0.000 0.286 84 Y C 1.838 177.757 175.900 0.031 0.000 1.155 84 Y CA 2.876 61.003 58.100 0.046 0.000 1.164 84 Y CB -0.984 37.470 38.460 -0.010 0.000 0.978 84 Y HN 0.412 nan 8.280 nan 0.000 0.513 85 D N -0.473 119.996 120.400 0.116 0.000 2.190 85 D HA -0.235 4.404 4.640 -0.002 0.000 0.200 85 D C 1.860 178.119 176.300 -0.069 0.000 0.992 85 D CA 1.649 55.656 54.000 0.013 0.000 0.854 85 D CB -0.552 40.293 40.800 0.076 0.000 0.936 85 D HN 0.295 nan 8.370 nan 0.000 0.462 86 L N 0.485 121.689 121.223 -0.031 0.000 2.071 86 L HA 0.015 4.354 4.340 -0.002 0.000 0.201 86 L C 2.699 179.524 176.870 -0.075 0.000 1.076 86 L CA 0.692 55.518 54.840 -0.024 0.000 0.755 86 L CB -1.058 41.024 42.059 0.038 0.000 0.915 86 L HN 0.112 nan 8.230 nan 0.000 0.445 87 V N 0.323 120.179 119.914 -0.096 0.000 2.324 87 V HA -0.281 3.838 4.120 -0.002 0.000 0.250 87 V C 2.518 178.477 176.094 -0.226 0.000 1.060 87 V CA 1.454 63.669 62.300 -0.141 0.000 1.042 87 V CB -0.626 31.116 31.823 -0.135 0.000 0.650 87 V HN 0.372 nan 8.190 nan 0.000 0.450 88 K N 0.482 120.650 120.400 -0.387 0.000 2.362 88 K HA -0.077 4.242 4.320 -0.002 0.000 0.200 88 K C 2.176 178.648 176.600 -0.213 0.000 1.046 88 K CA 1.575 57.620 56.287 -0.404 0.000 0.952 88 K CB -0.801 31.236 32.500 -0.771 0.000 0.753 88 K HN 0.771 nan 8.250 nan 0.000 0.466 89 T N -1.892 112.570 114.554 -0.153 0.000 3.054 89 T HA 0.108 4.457 4.350 -0.002 0.000 0.259 89 T C 0.894 175.566 174.700 -0.046 0.000 1.092 89 T CA -0.152 61.903 62.100 -0.074 0.000 1.121 89 T CB -0.175 68.663 68.868 -0.049 0.000 0.912 89 T HN 0.222 nan 8.240 nan 0.000 0.489 90 M N 0.260 119.823 119.600 -0.062 0.000 2.294 90 M HA 0.537 5.016 4.480 -0.002 0.000 0.280 90 M C 0.452 176.684 176.300 -0.113 0.000 1.085 90 M CA -1.031 54.233 55.300 -0.060 0.000 0.969 90 M CB 1.966 34.563 32.600 -0.005 0.000 1.770 90 M HN -0.059 nan 8.290 nan 0.000 0.485 91 R N 2.225 122.629 120.500 -0.160 0.000 2.193 91 R HA 0.259 4.598 4.340 -0.002 0.000 0.213 91 R C 1.515 177.609 176.300 -0.344 0.000 1.055 91 R CA 1.302 57.266 56.100 -0.226 0.000 0.995 91 R CB -0.482 29.692 30.300 -0.210 0.000 0.893 91 R HN 0.848 nan 8.270 nan 0.000 0.459 92 A N 1.596 124.202 122.820 -0.356 0.000 1.997 92 A HA -0.234 4.085 4.320 -0.002 0.000 0.221 92 A C 2.180 179.407 177.584 -0.596 0.000 1.172 92 A CA 2.042 53.747 52.037 -0.553 0.000 0.645 92 A CB -0.850 18.002 19.000 -0.246 0.000 0.813 92 A HN 0.480 nan 8.150 nan 0.000 0.454 93 S N -0.676 114.795 115.700 -0.382 0.000 2.434 93 S HA -0.276 4.193 4.470 -0.002 0.000 0.243 93 S C 1.663 175.972 174.600 -0.486 0.000 1.045 93 S CA 1.597 59.535 58.200 -0.437 0.000 1.019 93 S CB -0.623 62.504 63.200 -0.121 0.000 0.811 93 S HN 0.669 nan 8.310 nan 0.000 0.485 94 I N 0.674 120.976 120.570 -0.446 0.000 2.502 94 I HA -0.154 4.015 4.170 -0.002 0.000 0.258 94 I C 1.531 177.513 176.117 -0.226 0.000 1.172 94 I CA 1.113 62.202 61.300 -0.352 0.000 1.430 94 I CB -0.278 37.430 38.000 -0.486 0.000 1.086 94 I HN 0.371 nan 8.210 nan 0.000 0.440 95 W N 0.669 121.689 121.300 -0.468 0.000 2.611 95 W HA 0.019 4.677 4.660 -0.003 0.000 0.251 95 W C 2.466 178.848 176.519 -0.229 0.000 1.265 95 W CA 0.815 57.940 57.345 -0.368 0.000 1.295 95 W CB -1.229 27.977 29.460 -0.423 0.000 1.129 95 W HN 0.317 nan 8.180 nan 0.000 0.630 96 A N -0.170 122.605 122.820 -0.074 0.000 2.067 96 A HA -0.124 4.195 4.320 -0.002 0.000 0.219 96 A C 1.973 179.682 177.584 0.208 0.000 1.158 96 A CA 1.166 53.347 52.037 0.240 0.000 0.661 96 A CB -0.603 18.560 19.000 0.272 0.000 0.801 96 A HN 0.173 nan 8.150 nan 0.000 0.452 97 L N 0.012 121.321 121.223 0.144 0.000 1.994 97 L HA 0.003 4.342 4.340 -0.002 0.000 0.208 97 L C 2.414 179.378 176.870 0.158 0.000 1.071 97 L CA 2.381 57.306 54.840 0.142 0.000 0.745 97 L CB -1.157 40.963 42.059 0.101 0.000 0.892 97 L HN 0.285 nan 8.230 nan 0.000 0.431 98 G N -0.700 108.202 108.800 0.169 0.000 2.453 98 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.215 98 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.215 98 G C -0.533 174.445 174.900 0.130 0.000 1.201 98 G CA 0.916 46.100 45.100 0.141 0.000 0.784 98 G HN 0.355 nan 8.290 nan 0.000 0.545 99 P HA -0.151 nan 4.420 nan 0.000 0.217 99 P C 2.114 179.535 177.300 0.202 0.000 1.162 99 P CA 1.060 64.259 63.100 0.165 0.000 0.901 99 P CB -0.172 31.662 31.700 0.223 0.000 0.793 100 L N -1.438 119.946 121.223 0.268 0.000 2.005 100 L HA -0.152 4.187 4.340 -0.002 0.000 0.207 100 L C 2.447 179.463 176.870 0.243 0.000 1.072 100 L CA 1.358 56.419 54.840 0.368 0.000 0.744 100 L CB -1.220 41.042 42.059 0.337 0.000 0.895 100 L HN -0.147 nan 8.230 nan 0.000 0.433 101 V N 0.200 120.202 119.914 0.148 0.000 2.380 101 V HA -0.345 3.774 4.120 -0.002 0.000 0.251 101 V C 2.639 178.759 176.094 0.042 0.000 1.063 101 V CA 2.023 64.372 62.300 0.081 0.000 1.055 101 V CB -0.910 30.957 31.823 0.073 0.000 0.657 101 V HN 0.519 nan 8.190 nan 0.000 0.455 102 A N -0.400 122.442 122.820 0.036 0.000 1.935 102 A HA -0.101 4.218 4.320 -0.002 0.000 0.214 102 A C 2.390 179.926 177.584 -0.081 0.000 1.178 102 A CA 1.490 53.521 52.037 -0.011 0.000 0.640 102 A CB -0.326 18.674 19.000 -0.000 0.000 0.825 102 A HN 0.502 nan 8.150 nan 0.000 0.447 103 R N -2.240 118.175 120.500 -0.141 0.000 2.128 103 R HA 0.144 4.483 4.340 -0.002 0.000 0.211 103 R C 0.757 176.714 176.300 -0.572 0.000 1.067 103 R CA 0.977 56.834 56.100 -0.405 0.000 1.010 103 R CB -0.073 29.884 30.300 -0.571 0.000 0.922 103 R HN 0.409 nan 8.270 nan 0.000 0.457 104 F N -0.631 119.278 119.950 -0.069 0.000 2.704 104 F HA 0.415 4.941 4.527 -0.002 0.000 0.304 104 F C 1.429 177.108 175.800 -0.200 0.000 1.094 104 F CA 0.414 58.304 58.000 -0.183 0.000 1.275 104 F CB 1.239 40.009 39.000 -0.383 0.000 1.073 104 F HN 0.281 nan 8.300 nan 0.000 0.586 105 G N 0.966 109.765 108.800 -0.002 0.000 2.189 105 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.267 105 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.267 105 G C 0.130 175.012 174.900 -0.029 0.000 0.975 105 G CA 0.578 45.666 45.100 -0.020 0.000 0.644 105 G HN 0.518 nan 8.290 nan 0.000 0.537 106 Q N -1.603 118.167 119.800 -0.050 0.000 2.482 106 Q HA 0.675 5.014 4.340 -0.002 0.000 0.286 106 Q C -0.483 175.513 176.000 -0.006 0.000 1.007 106 Q CA -0.661 55.106 55.803 -0.060 0.000 0.801 106 Q CB 2.012 30.672 28.738 -0.130 0.000 1.455 106 Q HN 1.526 nan 8.270 nan 0.000 0.398 107 G N 1.115 109.951 108.800 0.060 0.000 2.716 107 G HA2 0.465 4.424 3.960 -0.002 0.000 0.299 107 G HA3 0.465 4.424 3.960 -0.002 0.000 0.299 107 G C -2.026 172.944 174.900 0.117 0.000 1.450 107 G CA -0.574 44.605 45.100 0.132 0.000 0.968 107 G HN 0.396 nan 8.290 nan 0.000 0.566 108 Q N -0.087 119.791 119.800 0.130 0.000 2.321 108 Q HA 0.702 5.041 4.340 -0.002 0.000 0.270 108 Q C -0.588 175.508 176.000 0.161 0.000 1.032 108 Q CA -0.712 55.163 55.803 0.120 0.000 0.784 108 Q CB 3.111 31.873 28.738 0.040 0.000 1.264 108 Q HN 0.510 nan 8.270 nan 0.000 0.448 109 V N 1.011 121.042 119.914 0.196 0.000 2.638 109 V HA 0.453 4.572 4.120 -0.002 0.000 0.306 109 V C -0.268 175.961 176.094 0.225 0.000 1.052 109 V CA -0.968 61.448 62.300 0.193 0.000 0.885 109 V CB 2.231 34.098 31.823 0.074 0.000 0.999 109 V HN 0.800 nan 8.190 nan 0.000 0.424 110 S N 4.299 120.136 115.700 0.228 0.000 2.575 110 S HA 0.134 4.603 4.470 -0.002 0.000 0.295 110 S C 0.037 174.593 174.600 -0.073 0.000 1.267 110 S CA -0.289 57.875 58.200 -0.060 0.000 1.074 110 S CB -0.132 63.049 63.200 -0.032 0.000 0.829 110 S HN 0.626 nan 8.310 nan 0.000 0.497 111 L N 7.706 128.867 121.223 -0.104 0.000 2.562 111 L HA 0.181 4.520 4.340 -0.002 0.000 0.271 111 L C -2.008 174.813 176.870 -0.081 0.000 1.167 111 L CA -1.441 53.350 54.840 -0.081 0.000 0.917 111 L CB 0.369 42.388 42.059 -0.068 0.000 1.187 111 L HN 0.516 nan 8.230 nan 0.000 0.482 112 P HA -0.001 nan 4.420 nan 0.000 0.264 112 P C 0.145 177.404 177.300 -0.068 0.000 1.183 112 P CA 0.071 63.104 63.100 -0.111 0.000 0.763 112 P CB 0.633 32.242 31.700 -0.152 0.000 0.807 113 G N 2.334 111.108 108.800 -0.043 0.000 2.494 113 G HA2 0.468 4.427 3.960 -0.002 0.000 0.270 113 G HA3 0.468 4.427 3.960 -0.002 0.000 0.270 113 G C 0.347 175.228 174.900 -0.033 0.000 1.423 113 G CA -0.269 44.822 45.100 -0.015 0.000 1.055 113 G HN 0.598 nan 8.290 nan 0.000 0.536 114 G N -2.295 106.494 108.800 -0.019 0.000 2.621 114 G HA2 0.420 4.380 3.960 -0.002 0.000 0.271 114 G HA3 0.420 4.380 3.960 -0.002 0.000 0.271 114 G C -0.643 174.234 174.900 -0.038 0.000 1.236 114 G CA 0.128 45.214 45.100 -0.024 0.000 0.958 114 G HN 0.880 nan 8.290 nan 0.000 0.512 115 C N -0.783 118.489 119.300 -0.046 0.000 2.802 115 C HA 0.637 5.096 4.460 -0.002 0.000 0.307 115 C C 2.142 177.089 174.990 -0.071 0.000 1.222 115 C CA 0.342 59.317 59.018 -0.071 0.000 1.580 115 C CB 1.111 28.781 27.740 -0.116 0.000 2.119 115 C HN 1.009 nan 8.230 nan 0.000 0.479 116 T N 1.653 116.160 114.554 -0.078 0.000 2.699 116 T HA -0.214 4.135 4.350 -0.002 0.000 0.268 116 T C 1.411 176.052 174.700 -0.098 0.000 1.036 116 T CA 2.506 64.561 62.100 -0.074 0.000 1.147 116 T CB -0.452 68.366 68.868 -0.083 0.000 0.862 116 T HN 0.854 nan 8.240 nan 0.000 0.446 117 I N -1.821 118.646 120.570 -0.171 0.000 3.226 117 I HA 0.522 4.691 4.170 -0.002 0.000 0.277 117 I C 0.948 176.986 176.117 -0.131 0.000 1.243 117 I CA 0.101 61.276 61.300 -0.210 0.000 1.459 117 I CB -0.099 37.670 38.000 -0.385 0.000 1.093 117 I HN 0.387 nan 8.210 nan 0.000 0.453 118 G N -0.271 108.476 108.800 -0.088 0.000 2.356 118 G HA2 0.467 4.426 3.960 -0.002 0.000 0.294 118 G HA3 0.467 4.426 3.960 -0.002 0.000 0.294 118 G C 0.096 175.012 174.900 0.026 0.000 1.423 118 G CA -0.252 44.872 45.100 0.041 0.000 0.806 118 G HN 0.033 nan 8.290 nan 0.000 0.527 119 A N -0.336 122.514 122.820 0.050 0.000 1.902 119 A HA 0.190 4.509 4.320 -0.002 0.000 0.217 119 A C 1.510 179.108 177.584 0.024 0.000 1.181 119 A CA 1.860 53.912 52.037 0.026 0.000 0.623 119 A CB -0.616 18.400 19.000 0.027 0.000 0.818 119 A HN 1.357 nan 8.150 nan 0.000 0.443 120 R N -1.109 119.434 120.500 0.071 0.000 3.059 120 R HA -0.119 4.220 4.340 -0.002 0.000 0.251 120 R C -2.443 173.867 176.300 0.017 0.000 0.886 120 R CA 0.373 56.521 56.100 0.079 0.000 0.634 120 R CB -1.911 28.424 30.300 0.059 0.000 1.282 120 R HN 0.525 nan 8.270 nan 0.000 0.487 121 P HA 0.105 nan 4.420 nan 0.000 0.274 121 P C 0.529 177.832 177.300 0.005 0.000 1.256 121 P CA -0.267 62.833 63.100 0.001 0.000 0.795 121 P CB 0.848 32.557 31.700 0.014 0.000 1.038 122 V N -3.112 116.790 119.914 -0.021 0.000 3.070 122 V HA 0.112 4.231 4.120 -0.002 0.000 0.345 122 V C 1.278 177.428 176.094 0.093 0.000 1.403 122 V CA 0.006 62.294 62.300 -0.020 0.000 1.155 122 V CB -0.581 31.048 31.823 -0.323 0.000 1.140 122 V HN 0.472 nan 8.190 nan 0.000 0.505 123 D N 1.528 121.973 120.400 0.074 0.000 2.158 123 D HA -0.264 4.375 4.640 -0.002 0.000 0.197 123 D C 1.698 178.053 176.300 0.091 0.000 0.995 123 D CA 1.691 55.730 54.000 0.065 0.000 0.846 123 D CB -0.058 40.767 40.800 0.041 0.000 0.941 123 D HN 0.551 nan 8.370 nan 0.000 0.456 124 L N -0.279 121.017 121.223 0.121 0.000 2.240 124 L HA -0.032 4.307 4.340 -0.002 0.000 0.211 124 L C 2.736 179.657 176.870 0.085 0.000 1.106 124 L CA 0.598 55.483 54.840 0.075 0.000 0.793 124 L CB -0.481 41.596 42.059 0.029 0.000 0.927 124 L HN 0.093 nan 8.230 nan 0.000 0.446 125 H N -0.078 119.010 119.070 0.030 0.000 2.326 125 H HA -0.104 4.452 4.556 -0.001 0.000 0.301 125 H C 2.420 177.772 175.328 0.040 0.000 1.081 125 H CA 1.589 57.664 56.048 0.046 0.000 1.334 125 H CB 0.184 29.968 29.762 0.036 0.000 1.385 125 H HN 0.296 nan 8.280 nan 0.000 0.504 126 I N 0.376 121.053 120.570 0.179 0.000 2.142 126 I HA -0.273 3.896 4.170 -0.002 0.000 0.240 126 I C 2.908 179.070 176.117 0.074 0.000 1.078 126 I CA 1.241 62.601 61.300 0.101 0.000 1.343 126 I CB -0.234 37.807 38.000 0.067 0.000 1.046 126 I HN 0.162 nan 8.210 nan 0.000 0.405 127 S N 0.808 116.546 115.700 0.064 0.000 2.382 127 S HA -0.129 4.340 4.470 -0.002 0.000 0.228 127 S C 2.138 176.762 174.600 0.040 0.000 1.027 127 S CA 1.514 59.740 58.200 0.043 0.000 0.991 127 S CB -0.718 62.502 63.200 0.034 0.000 0.823 127 S HN 0.538 nan 8.310 nan 0.000 0.469 128 G N 1.598 110.425 108.800 0.045 0.000 2.446 128 G HA2 -0.113 3.846 3.960 -0.002 0.000 0.217 128 G HA3 -0.113 3.846 3.960 -0.002 0.000 0.217 128 G C 1.443 176.369 174.900 0.043 0.000 1.168 128 G CA 0.964 46.085 45.100 0.036 0.000 0.771 128 G HN 0.532 nan 8.290 nan 0.000 0.551 129 L N -0.077 121.180 121.223 0.058 0.000 2.141 129 L HA 0.006 4.345 4.340 -0.002 0.000 0.209 129 L C 2.842 179.738 176.870 0.044 0.000 1.094 129 L CA 0.838 55.712 54.840 0.057 0.000 0.763 129 L CB -0.290 41.814 42.059 0.075 0.000 0.908 129 L HN 0.303 nan 8.230 nan 0.000 0.437 130 E N -0.185 120.040 120.200 0.042 0.000 2.072 130 E HA -0.250 4.099 4.350 -0.002 0.000 0.191 130 E C 2.163 178.779 176.600 0.027 0.000 0.985 130 E CA 1.022 57.441 56.400 0.033 0.000 0.801 130 E CB 0.003 29.722 29.700 0.031 0.000 0.750 130 E HN 0.531 nan 8.360 nan 0.000 0.452 131 Q N 0.081 119.897 119.800 0.027 0.000 2.291 131 Q HA -0.048 4.291 4.340 -0.002 0.000 0.205 131 Q C 1.730 177.745 176.000 0.024 0.000 0.970 131 Q CA 0.586 56.404 55.803 0.024 0.000 0.876 131 Q CB 0.131 28.883 28.738 0.024 0.000 0.935 131 Q HN 0.288 nan 8.270 nan 0.000 0.455 132 L N -0.851 120.387 121.223 0.026 0.000 2.627 132 L HA 0.126 4.465 4.340 -0.002 0.000 0.233 132 L C 1.000 177.881 176.870 0.017 0.000 1.144 132 L CA 0.429 55.282 54.840 0.021 0.000 0.892 132 L CB 0.039 42.112 42.059 0.022 0.000 1.039 132 L HN 0.406 nan 8.230 nan 0.000 0.442 133 G N -0.442 108.369 108.800 0.018 0.000 2.179 133 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.220 133 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.220 133 G C 0.328 175.237 174.900 0.016 0.000 0.990 133 G CA -0.150 44.958 45.100 0.015 0.000 0.646 133 G HN 0.441 nan 8.290 nan 0.000 0.517 134 A N 0.563 123.396 122.820 0.022 0.000 2.388 134 A HA 0.694 5.013 4.320 -0.002 0.000 0.257 134 A C 0.686 178.285 177.584 0.025 0.000 1.095 134 A CA 0.974 53.026 52.037 0.025 0.000 0.791 134 A CB 0.380 19.401 19.000 0.035 0.000 1.029 134 A HN 0.836 nan 8.150 nan 0.000 0.489 135 T N 2.884 117.452 114.554 0.023 0.000 2.806 135 T HA 0.572 4.921 4.350 -0.002 0.000 0.290 135 T C -0.120 174.598 174.700 0.030 0.000 0.966 135 T CA 0.130 62.244 62.100 0.024 0.000 1.060 135 T CB 0.281 69.160 68.868 0.019 0.000 0.927 135 T HN 0.418 nan 8.240 nan 0.000 0.485 136 I N 3.325 123.915 120.570 0.032 0.000 2.533 136 I HA 0.490 4.659 4.170 -0.002 0.000 0.290 136 I C -0.218 175.920 176.117 0.035 0.000 1.056 136 I CA -1.089 60.234 61.300 0.038 0.000 1.057 136 I CB 2.166 40.191 38.000 0.043 0.000 1.240 136 I HN 0.637 nan 8.210 nan 0.000 0.423 137 K N 5.254 125.679 120.400 0.041 0.000 2.443 137 K HA 0.743 5.062 4.320 -0.002 0.000 0.251 137 K C -1.679 174.950 176.600 0.049 0.000 0.972 137 K CA -0.960 55.350 56.287 0.039 0.000 0.833 137 K CB 2.858 35.379 32.500 0.036 0.000 1.317 137 K HN 0.402 nan 8.250 nan 0.000 0.441 138 L N 1.356 122.604 121.223 0.042 0.000 2.294 138 L HA 0.397 4.736 4.340 -0.002 0.000 0.283 138 L C -1.253 175.647 176.870 0.050 0.000 1.015 138 L CA 0.184 55.051 54.840 0.045 0.000 0.831 138 L CB 1.046 43.119 42.059 0.023 0.000 1.217 138 L HN 0.761 nan 8.230 nan 0.000 0.420 139 E N 4.129 124.378 120.200 0.082 0.000 2.220 139 E HA 0.233 4.582 4.350 -0.002 0.000 0.256 139 E C -0.442 176.232 176.600 0.124 0.000 0.881 139 E CA -0.332 56.118 56.400 0.083 0.000 0.766 139 E CB 1.220 30.970 29.700 0.083 0.000 1.187 139 E HN 0.679 nan 8.360 nan 0.000 0.419 140 E N 1.940 122.184 120.200 0.074 0.000 2.957 140 E HA -0.262 4.087 4.350 -0.002 0.000 0.287 140 E C 0.573 177.169 176.600 -0.006 0.000 0.976 140 E CA 0.740 57.182 56.400 0.070 0.000 0.907 140 E CB -1.187 28.601 29.700 0.146 0.000 1.456 140 E HN 1.043 nan 8.360 nan 0.000 0.421 141 G N -1.543 107.218 108.800 -0.066 0.000 2.176 141 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.253 141 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.253 141 G C -0.333 174.355 174.900 -0.352 0.000 0.979 141 G CA 0.388 45.364 45.100 -0.205 0.000 0.641 141 G HN 0.301 nan 8.290 nan 0.000 0.530 142 Y N -0.113 120.203 120.300 0.026 0.000 2.331 142 Y HA 0.535 5.084 4.550 -0.002 0.000 0.338 142 Y C 0.659 176.574 175.900 0.025 0.000 0.992 142 Y CA -0.917 57.203 58.100 0.033 0.000 1.121 142 Y CB 2.041 40.522 38.460 0.036 0.000 1.184 142 Y HN 0.047 nan 8.280 nan 0.000 0.469 143 V N 5.525 125.538 119.914 0.165 0.000 2.387 143 V HA 0.153 4.272 4.120 -0.002 0.000 0.260 143 V C -0.195 175.974 176.094 0.125 0.000 1.054 143 V CA -0.757 61.607 62.300 0.106 0.000 0.967 143 V CB -0.337 31.518 31.823 0.054 0.000 1.036 143 V HN 0.604 nan 8.190 nan 0.000 0.481 144 K N 4.358 124.821 120.400 0.105 0.000 2.240 144 K HA 0.771 5.091 4.320 -0.002 0.000 0.271 144 K C -0.159 176.481 176.600 0.066 0.000 1.018 144 K CA -0.230 56.109 56.287 0.087 0.000 0.874 144 K CB 2.055 34.600 32.500 0.076 0.000 1.098 144 K HN 0.693 nan 8.250 nan 0.000 0.458 145 A N 1.905 124.764 122.820 0.064 0.000 2.356 145 A HA 0.767 5.086 4.320 -0.002 0.000 0.323 145 A C -0.675 176.932 177.584 0.038 0.000 1.119 145 A CA -0.628 51.441 52.037 0.053 0.000 0.790 145 A CB 1.176 20.214 19.000 0.063 0.000 1.273 145 A HN 0.727 nan 8.150 nan 0.000 0.452 146 S N -0.510 115.206 115.700 0.028 0.000 2.552 146 S HA 0.659 5.128 4.470 -0.002 0.000 0.272 146 S C -1.314 173.293 174.600 0.012 0.000 1.150 146 S CA -0.508 57.700 58.200 0.014 0.000 0.849 146 S CB 0.989 64.193 63.200 0.007 0.000 1.113 146 S HN 2.000 nan 8.310 nan 0.000 0.458 147 V N 0.636 120.552 119.914 0.004 0.000 2.925 147 V HA 0.498 4.617 4.120 -0.002 0.000 0.311 147 V C -1.263 174.830 176.094 -0.003 0.000 1.104 147 V CA -0.737 61.565 62.300 0.003 0.000 0.954 147 V CB 2.008 33.833 31.823 0.004 0.000 1.022 147 V HN 1.065 nan 8.190 nan 0.000 0.427 148 D N 4.287 124.686 120.400 -0.001 0.000 2.385 148 D HA 0.403 5.042 4.640 -0.002 0.000 0.260 148 D C 0.804 177.100 176.300 -0.007 0.000 1.326 148 D CA 1.773 55.770 54.000 -0.004 0.000 1.023 148 D CB 0.489 41.289 40.800 -0.001 0.000 1.083 148 D HN 1.154 nan 8.370 nan 0.000 0.517 149 G N 3.955 112.748 108.800 -0.011 0.000 2.536 149 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.277 149 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.277 149 G C 0.307 175.195 174.900 -0.021 0.000 1.155 149 G CA -0.456 44.634 45.100 -0.016 0.000 0.960 149 G HN 0.545 nan 8.290 nan 0.000 0.544 150 R N 0.162 120.650 120.500 -0.021 0.000 2.459 150 R HA 0.550 4.889 4.340 -0.002 0.000 0.281 150 R C 0.792 177.084 176.300 -0.015 0.000 1.050 150 R CA -0.581 55.505 56.100 -0.024 0.000 1.055 150 R CB 0.480 30.765 30.300 -0.026 0.000 1.045 150 R HN 0.457 nan 8.270 nan 0.000 0.495 151 L N 2.151 123.366 121.223 -0.014 0.000 2.473 151 L HA 0.107 4.446 4.340 -0.002 0.000 0.268 151 L C 0.265 177.131 176.870 -0.006 0.000 1.215 151 L CA 0.216 55.053 54.840 -0.005 0.000 0.823 151 L CB 0.121 42.180 42.059 -0.001 0.000 1.099 151 L HN 0.360 nan 8.230 nan 0.000 0.483 152 K N 0.964 121.364 120.400 -0.001 0.000 2.376 152 K HA 0.458 4.777 4.320 -0.002 0.000 0.257 152 K C -0.277 176.325 176.600 0.003 0.000 0.939 152 K CA -0.372 55.914 56.287 -0.001 0.000 0.809 152 K CB 1.710 34.211 32.500 0.002 0.000 1.121 152 K HN 0.551 nan 8.250 nan 0.000 0.425 153 G N 2.104 110.904 108.800 -0.001 0.000 2.474 153 G HA2 0.427 4.386 3.960 -0.002 0.000 0.233 153 G HA3 0.427 4.386 3.960 -0.002 0.000 0.233 153 G C -0.728 174.179 174.900 0.012 0.000 1.278 153 G CA 0.210 45.310 45.100 0.000 0.000 0.861 153 G HN 0.833 nan 8.290 nan 0.000 0.567 154 A N 1.179 124.013 122.820 0.023 0.000 2.594 154 A HA 0.646 4.965 4.320 -0.002 0.000 0.291 154 A C -0.850 176.788 177.584 0.089 0.000 1.105 154 A CA -0.737 51.330 52.037 0.050 0.000 0.694 154 A CB 1.033 20.061 19.000 0.046 0.000 1.291 154 A HN 0.961 nan 8.150 nan 0.000 0.410 155 H N 1.426 120.494 119.070 -0.004 0.000 2.782 155 H HA 0.537 5.092 4.556 -0.002 0.000 0.285 155 H C -0.822 174.504 175.328 -0.003 0.000 1.093 155 H CA -0.431 55.614 56.048 -0.004 0.000 1.410 155 H CB 0.208 29.967 29.762 -0.004 0.000 1.439 155 H HN 0.422 nan 8.280 nan 0.000 0.469 156 I N 6.845 127.567 120.570 0.253 0.000 2.389 156 I HA 0.137 4.307 4.170 -0.002 0.000 0.288 156 I C -0.513 175.667 176.117 0.105 0.000 0.999 156 I CA -0.903 60.463 61.300 0.110 0.000 1.129 156 I CB 1.720 39.760 38.000 0.067 0.000 1.288 156 I HN 0.357 nan 8.210 nan 0.000 0.444 157 V N 6.687 126.610 119.914 0.016 0.000 2.328 157 V HA 0.351 4.470 4.120 -0.002 0.000 0.278 157 V C 0.524 176.618 176.094 -0.000 0.000 1.021 157 V CA -0.510 61.790 62.300 -0.000 0.000 0.838 157 V CB 1.329 33.113 31.823 -0.065 0.000 0.999 157 V HN 0.656 nan 8.190 nan 0.000 0.447 158 M N 3.024 122.629 119.600 0.010 0.000 2.217 158 M HA 0.219 4.698 4.480 -0.002 0.000 0.354 158 M C 0.845 177.143 176.300 -0.004 0.000 1.225 158 M CA -0.191 55.110 55.300 0.002 0.000 1.137 158 M CB 0.746 33.346 32.600 0.000 0.000 1.576 158 M HN 0.571 nan 8.290 nan 0.000 0.461 159 D N 2.482 122.878 120.400 -0.005 0.000 2.183 159 D HA -0.030 4.609 4.640 -0.002 0.000 0.203 159 D C 0.150 176.445 176.300 -0.009 0.000 0.969 159 D CA 1.345 55.341 54.000 -0.007 0.000 0.842 159 D CB 0.455 41.252 40.800 -0.005 0.000 0.957 159 D HN 0.603 nan 8.370 nan 0.000 0.484 160 K N -1.683 118.711 120.400 -0.010 0.000 2.522 160 K HA 0.492 4.811 4.320 -0.002 0.000 0.275 160 K C -0.926 175.664 176.600 -0.017 0.000 1.006 160 K CA -0.902 55.376 56.287 -0.015 0.000 0.890 160 K CB 1.758 34.245 32.500 -0.022 0.000 1.475 160 K HN -0.361 nan 8.250 nan 0.000 0.441 161 V N 1.309 121.210 119.914 -0.021 0.000 2.508 161 V HA 0.308 4.428 4.120 -0.002 0.000 0.281 161 V C -0.476 175.604 176.094 -0.024 0.000 1.041 161 V CA 0.075 62.365 62.300 -0.017 0.000 1.016 161 V CB 0.880 32.695 31.823 -0.013 0.000 0.984 161 V HN 0.741 nan 8.190 nan 0.000 0.478 162 S N 3.797 119.489 115.700 -0.013 0.000 2.720 162 S HA 0.345 4.814 4.470 -0.002 0.000 0.278 162 S C 0.522 175.134 174.600 0.020 0.000 1.172 162 S CA -0.616 57.580 58.200 -0.006 0.000 1.019 162 S CB 1.715 64.900 63.200 -0.024 0.000 1.049 162 S HN 0.359 nan 8.310 nan 0.000 0.483 163 V N 5.235 125.186 119.914 0.061 0.000 2.252 163 V HA -0.110 4.009 4.120 -0.002 0.000 0.249 163 V C 2.643 178.863 176.094 0.209 0.000 1.056 163 V CA 2.711 65.084 62.300 0.122 0.000 1.022 163 V CB -1.162 30.758 31.823 0.162 0.000 0.641 163 V HN 0.917 nan 8.190 nan 0.000 0.445 164 G N -0.872 108.071 108.800 0.239 0.000 2.402 164 G HA2 -0.115 3.844 3.960 -0.002 0.000 0.216 164 G HA3 -0.115 3.844 3.960 -0.002 0.000 0.216 164 G C 1.737 176.679 174.900 0.071 0.000 1.162 164 G CA 0.920 46.272 45.100 0.420 0.000 0.777 164 G HN 0.625 nan 8.290 nan 0.000 0.539 165 A N 0.272 122.836 122.820 -0.426 0.000 1.969 165 A HA 0.034 4.353 4.320 -0.002 0.000 0.218 165 A C 2.502 179.977 177.584 -0.181 0.000 1.169 165 A CA 2.310 53.968 52.037 -0.631 0.000 0.635 165 A CB -0.813 17.923 19.000 -0.441 0.000 0.810 165 A HN 0.280 nan 8.150 nan 0.000 0.445 166 T N -0.213 114.302 114.554 -0.065 0.000 2.708 166 T HA -0.132 4.217 4.350 -0.002 0.000 0.266 166 T C 1.909 176.600 174.700 -0.015 0.000 1.037 166 T CA 1.680 63.767 62.100 -0.022 0.000 1.146 166 T CB -0.455 68.413 68.868 -0.000 0.000 0.865 166 T HN 0.165 nan 8.240 nan 0.000 0.435 167 V N 1.459 121.381 119.914 0.015 0.000 2.255 167 V HA -0.218 3.901 4.120 -0.002 0.000 0.247 167 V C 2.800 178.860 176.094 -0.055 0.000 1.051 167 V CA 2.145 64.390 62.300 -0.092 0.000 1.018 167 V CB -1.290 30.337 31.823 -0.326 0.000 0.641 167 V HN 0.516 nan 8.190 nan 0.000 0.445 168 T N 0.403 115.023 114.554 0.110 0.000 2.624 168 T HA -0.222 4.127 4.350 -0.002 0.000 0.268 168 T C 1.757 176.498 174.700 0.069 0.000 1.041 168 T CA 2.269 64.473 62.100 0.173 0.000 1.159 168 T CB -0.339 68.704 68.868 0.292 0.000 0.863 168 T HN 0.378 nan 8.240 nan 0.000 0.434 169 I N 0.226 120.811 120.570 0.025 0.000 2.353 169 I HA -0.078 4.092 4.170 -0.002 0.000 0.248 169 I C 2.561 178.679 176.117 0.003 0.000 1.119 169 I CA 0.947 62.257 61.300 0.017 0.000 1.417 169 I CB -0.364 37.638 38.000 0.004 0.000 1.078 169 I HN 0.248 nan 8.210 nan 0.000 0.421 170 M N 0.227 119.818 119.600 -0.014 0.000 2.117 170 M HA -0.253 4.226 4.480 -0.002 0.000 0.262 170 M C 2.459 178.742 176.300 -0.028 0.000 1.065 170 M CA 1.984 57.268 55.300 -0.027 0.000 1.114 170 M CB -0.169 32.405 32.600 -0.043 0.000 1.361 170 M HN 0.362 nan 8.290 nan 0.000 0.408 171 C N 0.209 119.492 119.300 -0.028 0.000 2.440 171 C HA -0.016 4.443 4.460 -0.002 0.000 0.278 171 C C 2.966 177.958 174.990 0.003 0.000 1.295 171 C CA 0.945 59.954 59.018 -0.016 0.000 1.738 171 C CB -1.456 26.275 27.740 -0.016 0.000 1.987 171 C HN 0.726 nan 8.230 nan 0.000 0.492 172 A N 0.562 123.393 122.820 0.018 0.000 1.898 172 A HA 0.143 4.462 4.320 -0.002 0.000 0.216 172 A C 2.331 179.916 177.584 0.002 0.000 1.181 172 A CA 1.760 53.810 52.037 0.022 0.000 0.620 172 A CB -0.833 18.191 19.000 0.040 0.000 0.819 172 A HN 0.555 nan 8.150 nan 0.000 0.442 173 A N -0.023 122.795 122.820 -0.003 0.000 2.125 173 A HA -0.067 4.252 4.320 -0.002 0.000 0.219 173 A C 2.262 179.831 177.584 -0.024 0.000 1.156 173 A CA 2.172 54.202 52.037 -0.012 0.000 0.671 173 A CB -1.315 17.678 19.000 -0.013 0.000 0.794 173 A HN 0.795 nan 8.150 nan 0.000 0.459 174 T N -2.531 112.005 114.554 -0.030 0.000 3.007 174 T HA 0.057 4.406 4.350 -0.002 0.000 0.270 174 T C 1.177 175.849 174.700 -0.046 0.000 1.107 174 T CA 1.324 63.398 62.100 -0.043 0.000 1.118 174 T CB -0.285 68.550 68.868 -0.054 0.000 0.889 174 T HN 0.349 nan 8.240 nan 0.000 0.506 175 L N 0.092 121.290 121.223 -0.042 0.000 2.906 175 L HA 0.556 4.895 4.340 -0.002 0.000 0.255 175 L C 1.239 178.084 176.870 -0.042 0.000 1.166 175 L CA -0.558 54.252 54.840 -0.050 0.000 0.977 175 L CB -0.094 41.925 42.059 -0.066 0.000 1.313 175 L HN 0.256 nan 8.230 nan 0.000 0.549 176 A N 0.990 123.792 122.820 -0.031 0.000 2.313 176 A HA 0.293 4.612 4.320 -0.002 0.000 0.261 176 A C 0.267 177.836 177.584 -0.025 0.000 1.090 176 A CA -0.337 51.686 52.037 -0.023 0.000 0.807 176 A CB 0.165 19.156 19.000 -0.015 0.000 1.055 176 A HN 0.422 nan 8.150 nan 0.000 0.492 177 E N 0.815 121.003 120.200 -0.020 0.000 2.217 177 E HA 0.468 4.818 4.350 -0.002 0.000 0.279 177 E C 0.573 177.164 176.600 -0.016 0.000 1.068 177 E CA -0.061 56.328 56.400 -0.018 0.000 0.882 177 E CB 0.102 29.793 29.700 -0.015 0.000 1.039 177 E HN 1.611 nan 8.360 nan 0.000 0.418 178 G N 3.113 111.902 108.800 -0.019 0.000 2.587 178 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.212 178 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.212 178 G C -0.486 174.401 174.900 -0.023 0.000 1.327 178 G CA -0.442 44.647 45.100 -0.019 0.000 0.898 178 G HN 0.610 nan 8.290 nan 0.000 0.551 179 T N 1.245 115.784 114.554 -0.025 0.000 2.806 179 T HA 0.627 4.976 4.350 -0.002 0.000 0.290 179 T C 0.161 174.842 174.700 -0.033 0.000 0.966 179 T CA 0.353 62.432 62.100 -0.035 0.000 1.060 179 T CB 1.440 70.281 68.868 -0.045 0.000 0.927 179 T HN 0.746 nan 8.240 nan 0.000 0.485 180 T N 3.839 118.373 114.554 -0.035 0.000 2.797 180 T HA 0.574 4.923 4.350 -0.002 0.000 0.279 180 T C 0.006 174.675 174.700 -0.052 0.000 0.991 180 T CA -0.525 61.559 62.100 -0.027 0.000 0.979 180 T CB 0.526 69.387 68.868 -0.012 0.000 0.943 180 T HN 0.428 nan 8.240 nan 0.000 0.444 181 I N 3.723 124.252 120.570 -0.069 0.000 2.378 181 I HA 0.456 4.626 4.170 -0.002 0.000 0.291 181 I C -0.433 175.686 176.117 0.004 0.000 0.992 181 I CA -0.794 60.442 61.300 -0.107 0.000 1.154 181 I CB 1.532 39.313 38.000 -0.364 0.000 1.315 181 I HN 0.469 nan 8.210 nan 0.000 0.448 182 I N 5.861 126.436 120.570 0.008 0.000 2.330 182 I HA 0.287 4.456 4.170 -0.002 0.000 0.286 182 I C 0.163 176.308 176.117 0.046 0.000 1.025 182 I CA -0.423 60.900 61.300 0.038 0.000 1.197 182 I CB 0.770 38.778 38.000 0.013 0.000 1.358 182 I HN 0.515 nan 8.210 nan 0.000 0.467 183 E N 5.740 125.993 120.200 0.089 0.000 2.242 183 E HA 0.156 4.505 4.350 -0.002 0.000 0.275 183 E C 0.178 176.804 176.600 0.044 0.000 1.002 183 E CA -0.347 56.100 56.400 0.079 0.000 0.841 183 E CB 1.445 31.227 29.700 0.138 0.000 1.109 183 E HN 0.641 nan 8.360 nan 0.000 0.394 184 N N 0.757 119.475 118.700 0.030 0.000 2.754 184 N HA -0.226 4.513 4.740 -0.002 0.000 0.248 184 N C -0.835 174.683 175.510 0.013 0.000 1.093 184 N CA 0.179 53.239 53.050 0.017 0.000 0.699 184 N CB -0.446 38.048 38.487 0.011 0.000 1.016 184 N HN 0.472 nan 8.380 nan 0.000 0.552 185 A N 0.474 123.303 122.820 0.015 0.000 2.407 185 A HA 0.616 4.935 4.320 -0.002 0.000 0.248 185 A C 0.949 178.543 177.584 0.016 0.000 1.082 185 A CA 0.389 52.433 52.037 0.012 0.000 0.785 185 A CB 0.630 19.636 19.000 0.009 0.000 1.020 185 A HN 0.620 nan 8.150 nan 0.000 0.489 186 A N 1.603 124.433 122.820 0.017 0.000 2.520 186 A HA 0.386 4.705 4.320 -0.002 0.000 0.235 186 A C 0.836 178.444 177.584 0.040 0.000 1.065 186 A CA 0.185 52.240 52.037 0.031 0.000 0.764 186 A CB -0.033 18.987 19.000 0.034 0.000 1.002 186 A HN 0.812 nan 8.150 nan 0.000 0.502 187 R N 0.219 120.761 120.500 0.070 0.000 2.509 187 R HA 0.178 4.517 4.340 -0.002 0.000 0.300 187 R C -0.527 175.831 176.300 0.096 0.000 0.985 187 R CA -0.200 55.955 56.100 0.091 0.000 1.092 187 R CB 0.288 30.660 30.300 0.120 0.000 1.237 187 R HN 0.757 nan 8.270 nan 0.000 0.546 188 E N 1.506 121.724 120.200 0.029 0.000 2.534 188 E HA -0.062 4.287 4.350 -0.002 0.000 0.264 188 E C -1.576 174.902 176.600 -0.202 0.000 0.981 188 E CA -1.115 55.195 56.400 -0.151 0.000 0.948 188 E CB 0.404 30.066 29.700 -0.063 0.000 0.934 188 E HN -0.062 nan 8.360 nan 0.000 0.459 189 P HA -0.170 nan 4.420 nan 0.000 0.220 189 P C 0.247 177.491 177.300 -0.093 0.000 1.144 189 P CA 1.181 64.164 63.100 -0.194 0.000 0.800 189 P CB 0.310 31.878 31.700 -0.220 0.000 0.772 190 E N -1.193 118.953 120.200 -0.090 0.000 2.285 190 E HA -0.035 4.314 4.350 -0.002 0.000 0.194 190 E C 1.887 178.454 176.600 -0.055 0.000 0.997 190 E CA 0.569 56.940 56.400 -0.048 0.000 0.845 190 E CB -0.721 28.965 29.700 -0.024 0.000 0.782 190 E HN 0.291 nan 8.360 nan 0.000 0.491 191 I N -0.315 120.224 120.570 -0.051 0.000 2.333 191 I HA -0.194 3.975 4.170 -0.002 0.000 0.246 191 I C 1.883 177.974 176.117 -0.043 0.000 1.106 191 I CA 0.464 61.733 61.300 -0.051 0.000 1.411 191 I CB -0.050 37.934 38.000 -0.027 0.000 1.082 191 I HN -0.006 nan 8.210 nan 0.000 0.420 192 V N 0.743 120.641 119.914 -0.027 0.000 2.332 192 V HA -0.341 3.778 4.120 -0.002 0.000 0.248 192 V C 2.117 178.218 176.094 0.011 0.000 1.055 192 V CA 2.260 64.558 62.300 -0.004 0.000 1.038 192 V CB -0.624 31.203 31.823 0.007 0.000 0.651 192 V HN 0.409 nan 8.190 nan 0.000 0.450 193 D N -0.313 120.101 120.400 0.022 0.000 2.117 193 D HA -0.131 4.508 4.640 -0.002 0.000 0.197 193 D C 2.297 178.555 176.300 -0.071 0.000 0.987 193 D CA 1.733 55.783 54.000 0.082 0.000 0.829 193 D CB -0.152 40.715 40.800 0.111 0.000 0.961 193 D HN 0.405 nan 8.370 nan 0.000 0.460 194 T N -0.372 114.124 114.554 -0.096 0.000 2.777 194 T HA -0.079 4.270 4.350 -0.002 0.000 0.266 194 T C 1.916 176.562 174.700 -0.090 0.000 1.040 194 T CA 1.332 63.357 62.100 -0.125 0.000 1.141 194 T CB -0.358 68.407 68.868 -0.171 0.000 0.868 194 T HN 0.193 nan 8.240 nan 0.000 0.444 195 A N 2.339 125.107 122.820 -0.088 0.000 1.930 195 A HA -0.119 4.200 4.320 -0.002 0.000 0.217 195 A C 2.229 179.745 177.584 -0.114 0.000 1.175 195 A CA 1.352 53.340 52.037 -0.082 0.000 0.627 195 A CB -0.531 18.436 19.000 -0.055 0.000 0.815 195 A HN 0.364 nan 8.150 nan 0.000 0.443 196 N N -0.955 117.674 118.700 -0.119 0.000 2.244 196 N HA -0.100 4.639 4.740 -0.002 0.000 0.183 196 N C 1.358 176.644 175.510 -0.373 0.000 1.016 196 N CA 1.350 54.330 53.050 -0.117 0.000 0.866 196 N CB -0.587 37.964 38.487 0.107 0.000 0.980 196 N HN 0.583 nan 8.380 nan 0.000 0.430 197 F N 1.663 121.063 119.950 -0.917 0.000 2.146 197 F HA -0.010 4.516 4.527 -0.002 0.000 0.298 197 F C 1.890 177.461 175.800 -0.381 0.000 1.096 197 F CA 0.993 58.420 58.000 -0.956 0.000 1.275 197 F CB -0.333 38.113 39.000 -0.924 0.000 1.008 197 F HN -0.093 nan 8.300 nan 0.000 0.480 198 L N 0.075 121.053 121.223 -0.408 0.000 2.046 198 L HA -0.217 4.123 4.340 -0.002 0.000 0.208 198 L C 2.499 179.173 176.870 -0.326 0.000 1.077 198 L CA 1.383 55.996 54.840 -0.378 0.000 0.747 198 L CB -0.765 41.201 42.059 -0.155 0.000 0.896 198 L HN 0.181 nan 8.230 nan 0.000 0.432 199 I N -0.397 120.031 120.570 -0.236 0.000 2.264 199 I HA -0.291 3.878 4.170 -0.002 0.000 0.248 199 I C 2.435 178.448 176.117 -0.174 0.000 1.111 199 I CA 1.533 62.738 61.300 -0.159 0.000 1.382 199 I CB -0.448 37.498 38.000 -0.091 0.000 1.060 199 I HN 0.252 nan 8.210 nan 0.000 0.418 200 T N 1.020 115.439 114.554 -0.226 0.000 2.881 200 T HA -0.100 4.249 4.350 -0.002 0.000 0.270 200 T C 1.762 176.321 174.700 -0.235 0.000 1.068 200 T CA 1.100 63.092 62.100 -0.179 0.000 1.131 200 T CB -0.194 68.607 68.868 -0.111 0.000 0.871 200 T HN 0.299 nan 8.240 nan 0.000 0.479 201 L N -0.085 120.920 121.223 -0.363 0.000 2.492 201 L HA 0.263 4.602 4.340 -0.002 0.000 0.223 201 L C 1.949 178.709 176.870 -0.183 0.000 1.132 201 L CA 0.616 55.275 54.840 -0.301 0.000 0.850 201 L CB -0.196 41.624 42.059 -0.399 0.000 0.966 201 L HN 0.505 nan 8.230 nan 0.000 0.454 202 G N -0.398 108.305 108.800 -0.163 0.000 2.164 202 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.154 202 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.154 202 G C 0.211 175.051 174.900 -0.101 0.000 1.014 202 G CA -0.217 44.817 45.100 -0.110 0.000 0.683 202 G HN 0.387 nan 8.290 nan 0.000 0.500 203 A N 0.014 122.762 122.820 -0.121 0.000 2.304 203 A HA 0.749 5.068 4.320 -0.002 0.000 0.271 203 A C 0.354 177.890 177.584 -0.080 0.000 1.091 203 A CA 0.022 52.000 52.037 -0.099 0.000 0.812 203 A CB 0.520 19.454 19.000 -0.110 0.000 1.056 203 A HN 0.325 nan 8.150 nan 0.000 0.489 204 K N 1.256 121.617 120.400 -0.064 0.000 2.404 204 K HA 0.567 4.886 4.320 -0.002 0.000 0.257 204 K C -1.420 175.149 176.600 -0.050 0.000 1.026 204 K CA 0.384 56.640 56.287 -0.053 0.000 0.951 204 K CB 0.911 33.384 32.500 -0.045 0.000 1.203 204 K HN 0.581 nan 8.250 nan 0.000 0.446 205 I N 0.864 121.405 120.570 -0.050 0.000 2.647 205 I HA 0.325 4.494 4.170 -0.002 0.000 0.295 205 I C -0.544 175.551 176.117 -0.037 0.000 1.078 205 I CA -0.763 60.510 61.300 -0.045 0.000 1.048 205 I CB 2.303 40.273 38.000 -0.051 0.000 1.239 205 I HN 0.397 nan 8.210 nan 0.000 0.421 206 S N 3.120 118.800 115.700 -0.033 0.000 2.541 206 S HA 0.726 5.195 4.470 -0.002 0.000 0.280 206 S C 0.273 174.859 174.600 -0.024 0.000 1.112 206 S CA 0.306 58.490 58.200 -0.027 0.000 0.925 206 S CB 1.750 64.933 63.200 -0.029 0.000 1.067 206 S HN 1.266 nan 8.310 nan 0.000 0.479 207 G N 2.594 111.384 108.800 -0.016 0.000 2.157 207 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.248 207 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.248 207 G C 0.066 174.963 174.900 -0.006 0.000 0.979 207 G CA 0.288 45.381 45.100 -0.011 0.000 0.650 207 G HN 1.196 nan 8.290 nan 0.000 0.529 208 Q N 0.187 119.982 119.800 -0.008 0.000 2.330 208 Q HA 0.400 4.739 4.340 -0.002 0.000 0.279 208 Q C 1.208 177.212 176.000 0.008 0.000 1.024 208 Q CA 0.977 56.777 55.803 -0.005 0.000 0.900 208 Q CB 0.970 29.700 28.738 -0.013 0.000 1.221 208 Q HN 1.796 nan 8.270 nan 0.000 0.396 209 G N 2.024 110.834 108.800 0.016 0.000 2.195 209 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.246 209 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.246 209 G C 0.238 175.163 174.900 0.042 0.000 0.984 209 G CA 0.501 45.623 45.100 0.036 0.000 0.633 209 G HN 1.199 nan 8.290 nan 0.000 0.525 210 T N -2.021 112.548 114.554 0.025 0.000 2.927 210 T HA 0.564 4.913 4.350 -0.002 0.000 0.286 210 T C 0.880 175.591 174.700 0.018 0.000 1.040 210 T CA 0.605 62.718 62.100 0.021 0.000 1.010 210 T CB 1.726 70.600 68.868 0.011 0.000 1.177 210 T HN 0.218 nan 8.240 nan 0.000 0.546 211 D N -0.790 119.620 120.400 0.016 0.000 2.363 211 D HA 0.012 4.651 4.640 -0.002 0.000 0.226 211 D C 0.732 177.041 176.300 0.016 0.000 1.020 211 D CA 0.208 54.218 54.000 0.016 0.000 0.892 211 D CB 0.011 40.820 40.800 0.015 0.000 0.900 211 D HN 0.572 nan 8.370 nan 0.000 0.531 212 R N 0.864 121.370 120.500 0.009 0.000 2.435 212 R HA 0.430 4.769 4.340 -0.002 0.000 0.308 212 R C -1.283 175.011 176.300 -0.009 0.000 0.975 212 R CA -0.618 55.484 56.100 0.003 0.000 0.867 212 R CB 0.589 30.889 30.300 -0.001 0.000 1.171 212 R HN 0.033 nan 8.270 nan 0.000 0.470 213 I N 4.771 125.334 120.570 -0.012 0.000 2.336 213 I HA 0.308 4.477 4.170 -0.002 0.000 0.292 213 I C -0.313 175.783 176.117 -0.035 0.000 0.991 213 I CA -1.171 60.117 61.300 -0.021 0.000 1.227 213 I CB 1.991 39.980 38.000 -0.018 0.000 1.366 213 I HN 0.244 nan 8.210 nan 0.000 0.466 214 V N 7.546 127.435 119.914 -0.041 0.000 2.357 214 V HA 0.414 4.533 4.120 -0.002 0.000 0.284 214 V C -0.157 175.910 176.094 -0.045 0.000 1.018 214 V CA -0.420 61.849 62.300 -0.052 0.000 0.841 214 V CB 1.442 33.230 31.823 -0.059 0.000 0.991 214 V HN 0.436 nan 8.190 nan 0.000 0.437 215 I N 4.203 124.747 120.570 -0.044 0.000 2.404 215 I HA 0.479 4.648 4.170 -0.002 0.000 0.293 215 I C 0.061 176.153 176.117 -0.041 0.000 0.992 215 I CA -0.389 60.886 61.300 -0.041 0.000 1.149 215 I CB 1.704 39.682 38.000 -0.037 0.000 1.315 215 I HN 0.374 nan 8.210 nan 0.000 0.446 216 E N 4.504 124.679 120.200 -0.041 0.000 2.081 216 E HA 0.388 4.738 4.350 -0.002 0.000 0.276 216 E C 0.137 176.714 176.600 -0.039 0.000 0.950 216 E CA -0.347 56.030 56.400 -0.038 0.000 0.776 216 E CB 1.744 31.422 29.700 -0.037 0.000 1.094 216 E HN 0.779 nan 8.360 nan 0.000 0.402 217 G N 1.836 110.615 108.800 -0.035 0.000 2.432 217 G HA2 0.322 4.281 3.960 -0.002 0.000 0.239 217 G HA3 0.322 4.281 3.960 -0.002 0.000 0.239 217 G C 0.199 175.075 174.900 -0.039 0.000 1.291 217 G CA -0.197 44.882 45.100 -0.036 0.000 0.863 217 G HN 0.300 nan 8.290 nan 0.000 0.560 218 V N -0.507 119.380 119.914 -0.045 0.000 3.046 218 V HA 0.545 4.664 4.120 -0.002 0.000 0.316 218 V C 0.909 176.973 176.094 -0.049 0.000 1.104 218 V CA -0.779 61.493 62.300 -0.046 0.000 1.006 218 V CB 2.031 33.823 31.823 -0.052 0.000 1.058 218 V HN 0.784 nan 8.190 nan 0.000 0.440 219 E N 0.767 120.939 120.200 -0.046 0.000 2.110 219 E HA -0.040 4.309 4.350 -0.002 0.000 0.193 219 E C 0.731 177.294 176.600 -0.063 0.000 0.988 219 E CA 1.152 57.523 56.400 -0.050 0.000 0.804 219 E CB 0.248 29.924 29.700 -0.042 0.000 0.745 219 E HN 0.618 nan 8.360 nan 0.000 0.458 220 R N -0.368 120.094 120.500 -0.063 0.000 2.634 220 R HA 0.380 4.719 4.340 -0.002 0.000 0.263 220 R C -1.815 174.443 176.300 -0.069 0.000 1.060 220 R CA -0.409 55.649 56.100 -0.069 0.000 0.898 220 R CB 1.185 31.451 30.300 -0.056 0.000 1.253 220 R HN -0.083 nan 8.270 nan 0.000 0.461 221 L N 1.805 122.983 121.223 -0.075 0.000 2.333 221 L HA 0.686 5.025 4.340 -0.002 0.000 0.269 221 L C 0.770 177.599 176.870 -0.067 0.000 1.010 221 L CA -0.763 54.028 54.840 -0.082 0.000 0.818 221 L CB 2.100 44.099 42.059 -0.099 0.000 1.306 221 L HN 0.871 nan 8.230 nan 0.000 0.430 222 G N 0.179 108.935 108.800 -0.074 0.000 2.782 222 G HA2 0.643 4.602 3.960 -0.002 0.000 0.201 222 G HA3 0.643 4.602 3.960 -0.002 0.000 0.201 222 G C -0.153 174.712 174.900 -0.058 0.000 1.374 222 G CA 0.001 45.069 45.100 -0.053 0.000 1.039 222 G HN 0.719 nan 8.290 nan 0.000 0.576 223 G N -2.455 106.322 108.800 -0.039 0.000 2.702 223 G HA2 0.712 4.671 3.960 -0.002 0.000 0.254 223 G HA3 0.712 4.671 3.960 -0.002 0.000 0.254 223 G C -0.016 174.857 174.900 -0.046 0.000 1.380 223 G CA -0.018 45.069 45.100 -0.022 0.000 1.042 223 G HN 1.842 nan 8.290 nan 0.000 0.557 224 G N -3.107 105.691 108.800 -0.002 0.000 2.356 224 G HA2 0.470 4.429 3.960 -0.002 0.000 0.300 224 G HA3 0.470 4.429 3.960 -0.002 0.000 0.300 224 G C -1.956 172.985 174.900 0.067 0.000 1.331 224 G CA -0.139 44.964 45.100 0.005 0.000 0.905 224 G HN 1.189 nan 8.290 nan 0.000 0.587 225 V N 0.487 120.451 119.914 0.084 0.000 2.540 225 V HA 0.739 4.858 4.120 -0.002 0.000 0.302 225 V C -1.118 175.097 176.094 0.202 0.000 1.035 225 V CA -0.630 61.736 62.300 0.110 0.000 0.873 225 V CB 1.565 33.416 31.823 0.047 0.000 0.992 225 V HN 0.936 nan 8.190 nan 0.000 0.428 226 Y N 4.325 124.690 120.300 0.108 0.000 2.421 226 Y HA 0.583 5.132 4.550 -0.002 0.000 0.339 226 Y C -0.149 175.783 175.900 0.054 0.000 0.996 226 Y CA -0.837 57.339 58.100 0.126 0.000 1.046 226 Y CB 1.548 40.208 38.460 0.333 0.000 1.226 226 Y HN 0.652 nan 8.280 nan 0.000 0.445 227 R N 5.212 125.456 120.500 -0.425 0.000 2.254 227 R HA 0.573 4.912 4.340 -0.002 0.000 0.318 227 R C -1.425 174.668 176.300 -0.345 0.000 1.031 227 R CA -0.444 55.479 56.100 -0.296 0.000 0.905 227 R CB 0.873 31.029 30.300 -0.240 0.000 1.050 227 R HN 0.631 nan 8.270 nan 0.000 0.456 228 V N 6.651 126.521 119.914 -0.073 0.000 2.715 228 V HA 0.072 4.191 4.120 -0.002 0.000 0.299 228 V C 0.766 176.848 176.094 -0.020 0.000 1.054 228 V CA -0.285 62.031 62.300 0.027 0.000 1.077 228 V CB 1.043 32.884 31.823 0.030 0.000 0.972 228 V HN 0.712 nan 8.190 nan 0.000 0.484 229 L N 5.998 127.232 121.223 0.017 0.000 2.472 229 L HA 0.512 4.851 4.340 -0.002 0.000 0.260 229 L C -2.356 174.515 176.870 0.001 0.000 1.209 229 L CA -1.440 53.399 54.840 -0.001 0.000 0.817 229 L CB 0.018 42.086 42.059 0.015 0.000 1.106 229 L HN 0.363 nan 8.230 nan 0.000 0.479 230 P HA 0.003 nan 4.420 nan 0.000 0.269 230 P C -1.180 176.130 177.300 0.017 0.000 1.209 230 P CA -0.001 63.108 63.100 0.015 0.000 0.776 230 P CB 0.353 32.067 31.700 0.023 0.000 0.876 231 D N 2.603 123.019 120.400 0.027 0.000 2.338 231 D HA -0.009 4.631 4.640 -0.002 0.000 0.255 231 D C 1.332 177.652 176.300 0.034 0.000 1.237 231 D CA -0.029 53.981 54.000 0.017 0.000 0.883 231 D CB 0.607 41.413 40.800 0.010 0.000 1.087 231 D HN 0.349 nan 8.370 nan 0.000 0.485 232 R N 3.846 124.353 120.500 0.012 0.000 2.115 232 R HA -0.091 4.248 4.340 -0.002 0.000 0.226 232 R C 1.433 177.753 176.300 0.033 0.000 1.100 232 R CA 0.509 56.622 56.100 0.022 0.000 0.980 232 R CB -0.083 30.214 30.300 -0.005 0.000 0.875 232 R HN 0.337 nan 8.270 nan 0.000 0.445 233 I N 1.827 122.404 120.570 0.010 0.000 2.333 233 I HA -0.114 4.055 4.170 -0.002 0.000 0.246 233 I C 2.528 178.682 176.117 0.062 0.000 1.106 233 I CA 1.153 62.461 61.300 0.014 0.000 1.411 233 I CB -1.238 36.744 38.000 -0.029 0.000 1.082 233 I HN 0.336 nan 8.210 nan 0.000 0.420 234 E N 1.054 121.290 120.200 0.059 0.000 2.058 234 E HA -0.221 4.128 4.350 -0.002 0.000 0.194 234 E C 2.040 178.817 176.600 0.296 0.000 0.997 234 E CA 2.315 58.836 56.400 0.202 0.000 0.801 234 E CB 0.141 29.978 29.700 0.228 0.000 0.746 234 E HN 0.410 nan 8.360 nan 0.000 0.450 235 T N -0.201 114.495 114.554 0.236 0.000 2.607 235 T HA -0.178 4.172 4.350 -0.002 0.000 0.267 235 T C 1.780 176.609 174.700 0.215 0.000 1.049 235 T CA 1.448 63.695 62.100 0.244 0.000 1.162 235 T CB -0.860 68.098 68.868 0.150 0.000 0.863 235 T HN 0.437 nan 8.240 nan 0.000 0.424 236 G N 0.811 109.697 108.800 0.145 0.000 2.450 236 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.220 236 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.220 236 G C 1.698 176.658 174.900 0.100 0.000 1.130 236 G CA 1.469 46.651 45.100 0.137 0.000 0.760 236 G HN 0.474 nan 8.290 nan 0.000 0.557 237 T N 0.924 115.510 114.554 0.052 0.000 2.746 237 T HA -0.070 4.279 4.350 -0.002 0.000 0.267 237 T C 1.984 176.567 174.700 -0.195 0.000 1.039 237 T CA 1.043 63.082 62.100 -0.101 0.000 1.142 237 T CB -0.289 68.494 68.868 -0.142 0.000 0.866 237 T HN 0.245 nan 8.240 nan 0.000 0.444 238 F N 0.749 120.738 119.950 0.065 0.000 2.367 238 F HA 0.233 4.759 4.527 -0.002 0.000 0.298 238 F C 1.998 177.813 175.800 0.024 0.000 1.094 238 F CA 0.204 58.226 58.000 0.037 0.000 1.409 238 F CB -0.658 38.373 39.000 0.052 0.000 1.064 238 F HN 0.077 nan 8.300 nan 0.000 0.528 239 L N -0.816 120.527 121.223 0.201 0.000 1.994 239 L HA -0.203 4.137 4.340 -0.002 0.000 0.208 239 L C 2.414 179.305 176.870 0.034 0.000 1.071 239 L CA 0.868 55.781 54.840 0.121 0.000 0.745 239 L CB -0.996 41.138 42.059 0.126 0.000 0.892 239 L HN -0.094 nan 8.230 nan 0.000 0.431 240 V N 0.358 120.250 119.914 -0.036 0.000 2.317 240 V HA -0.374 3.745 4.120 -0.002 0.000 0.251 240 V C 2.788 178.831 176.094 -0.086 0.000 1.065 240 V CA 1.944 64.154 62.300 -0.151 0.000 1.049 240 V CB -1.141 30.533 31.823 -0.247 0.000 0.651 240 V HN 0.526 nan 8.190 nan 0.000 0.450 241 A N -0.109 122.690 122.820 -0.036 0.000 1.908 241 A HA -0.140 4.180 4.320 -0.002 0.000 0.218 241 A C 2.419 180.012 177.584 0.015 0.000 1.181 241 A CA 2.286 54.318 52.037 -0.008 0.000 0.627 241 A CB -0.756 18.270 19.000 0.042 0.000 0.818 241 A HN 0.609 nan 8.150 nan 0.000 0.445 242 A N -0.385 122.457 122.820 0.037 0.000 1.897 242 A HA 0.256 4.575 4.320 -0.002 0.000 0.215 242 A C 2.498 180.081 177.584 -0.001 0.000 1.181 242 A CA 1.847 53.898 52.037 0.023 0.000 0.620 242 A CB -0.961 18.061 19.000 0.036 0.000 0.821 242 A HN 1.001 nan 8.150 nan 0.000 0.443 243 A N 0.873 123.684 122.820 -0.015 0.000 1.858 243 A HA -0.113 4.206 4.320 -0.002 0.000 0.216 243 A C 2.107 179.671 177.584 -0.034 0.000 1.190 243 A CA 1.607 53.627 52.037 -0.028 0.000 0.617 243 A CB -0.814 18.149 19.000 -0.061 0.000 0.827 243 A HN 0.999 nan 8.150 nan 0.000 0.443 244 I N -1.794 118.745 120.570 -0.052 0.000 3.001 244 I HA -0.021 4.148 4.170 -0.002 0.000 0.268 244 I C 1.620 177.725 176.117 -0.021 0.000 1.267 244 I CA 1.593 62.867 61.300 -0.043 0.000 1.472 244 I CB -0.133 37.833 38.000 -0.056 0.000 1.089 244 I HN 0.306 nan 8.210 nan 0.000 0.468 245 S N 0.716 116.407 115.700 -0.015 0.000 2.572 245 S HA 0.293 4.762 4.470 -0.002 0.000 0.228 245 S C 0.851 175.449 174.600 -0.004 0.000 0.963 245 S CA -0.620 57.576 58.200 -0.006 0.000 0.939 245 S CB -0.238 62.961 63.200 -0.003 0.000 0.804 245 S HN 0.587 nan 8.310 nan 0.000 0.480 246 R N 0.180 120.678 120.500 -0.004 0.000 3.525 246 R HA -0.129 4.210 4.340 -0.002 0.000 0.276 246 R C 0.662 176.956 176.300 -0.010 0.000 1.116 246 R CA 0.455 56.555 56.100 -0.000 0.000 0.745 246 R CB -2.401 27.903 30.300 0.007 0.000 1.185 246 R HN 0.632 nan 8.270 nan 0.000 0.454 247 G N 0.335 109.126 108.800 -0.015 0.000 2.828 247 G HA2 0.586 4.545 3.960 -0.002 0.000 0.244 247 G HA3 0.586 4.545 3.960 -0.002 0.000 0.244 247 G C -0.943 173.932 174.900 -0.042 0.000 1.365 247 G CA -0.588 44.498 45.100 -0.023 0.000 1.041 247 G HN 0.045 nan 8.290 nan 0.000 0.560 248 K N -0.635 119.741 120.400 -0.040 0.000 2.482 248 K HA 0.611 4.930 4.320 -0.002 0.000 0.251 248 K C -1.843 174.746 176.600 -0.018 0.000 0.936 248 K CA -0.651 55.607 56.287 -0.048 0.000 0.791 248 K CB 2.216 34.667 32.500 -0.082 0.000 1.213 248 K HN 0.391 nan 8.250 nan 0.000 0.428 249 I N 5.018 125.592 120.570 0.006 0.000 2.769 249 I HA 0.425 4.594 4.170 -0.002 0.000 0.298 249 I C -1.344 174.794 176.117 0.035 0.000 1.128 249 I CA -1.192 60.119 61.300 0.018 0.000 1.031 249 I CB 1.683 39.712 38.000 0.049 0.000 1.235 249 I HN 0.588 nan 8.210 nan 0.000 0.423 250 I N 5.951 126.526 120.570 0.010 0.000 2.362 250 I HA 0.284 4.453 4.170 -0.002 0.000 0.289 250 I C -0.434 175.699 176.117 0.028 0.000 0.994 250 I CA -0.631 60.690 61.300 0.035 0.000 1.158 250 I CB 0.993 38.964 38.000 -0.048 0.000 1.315 250 I HN 0.458 nan 8.210 nan 0.000 0.451 251 C N 6.538 125.895 119.300 0.094 0.000 2.265 251 C HA 0.438 4.897 4.460 -0.002 0.000 0.332 251 C C 1.075 176.134 174.990 0.116 0.000 1.248 251 C CA -0.661 58.399 59.018 0.069 0.000 1.727 251 C CB 0.344 28.149 27.740 0.110 0.000 2.348 251 C HN 0.725 nan 8.230 nan 0.000 0.519 252 R N 2.168 122.703 120.500 0.057 0.000 2.549 252 R HA 0.211 4.550 4.340 -0.002 0.000 0.267 252 R C 0.553 176.897 176.300 0.073 0.000 1.045 252 R CA -0.081 56.069 56.100 0.084 0.000 1.115 252 R CB 0.279 30.593 30.300 0.025 0.000 1.121 252 R HN 0.938 nan 8.270 nan 0.000 0.543 253 N N -0.771 117.979 118.700 0.084 0.000 2.735 253 N HA -0.246 4.493 4.740 -0.002 0.000 0.248 253 N C -0.899 174.645 175.510 0.056 0.000 1.083 253 N CA 0.336 53.420 53.050 0.056 0.000 0.703 253 N CB -0.648 37.858 38.487 0.031 0.000 1.005 253 N HN 0.600 nan 8.380 nan 0.000 0.550 254 A N 0.604 123.469 122.820 0.075 0.000 2.240 254 A HA 0.508 4.827 4.320 -0.002 0.000 0.292 254 A C 0.386 177.986 177.584 0.026 0.000 1.121 254 A CA -0.113 51.959 52.037 0.059 0.000 0.851 254 A CB 0.933 19.979 19.000 0.076 0.000 1.167 254 A HN 0.312 nan 8.150 nan 0.000 0.503 255 Q N -0.152 119.657 119.800 0.014 0.000 2.891 255 Q HA 0.317 4.656 4.340 -0.002 0.000 0.242 255 Q C -2.350 173.644 176.000 -0.010 0.000 0.959 255 Q CA -1.708 54.092 55.803 -0.006 0.000 0.707 255 Q CB 1.373 30.110 28.738 -0.002 0.000 1.283 255 Q HN 0.409 nan 8.270 nan 0.000 0.480 256 P HA -0.196 nan 4.420 nan 0.000 0.216 256 P C 0.503 177.796 177.300 -0.012 0.000 1.150 256 P CA 1.494 64.572 63.100 -0.037 0.000 0.843 256 P CB 0.171 31.812 31.700 -0.098 0.000 0.787 257 D N -1.408 118.985 120.400 -0.011 0.000 2.392 257 D HA -0.092 4.547 4.640 -0.002 0.000 0.228 257 D C 1.023 177.357 176.300 0.056 0.000 1.003 257 D CA 1.040 55.047 54.000 0.013 0.000 0.917 257 D CB -1.437 39.368 40.800 0.007 0.000 0.890 257 D HN 0.228 nan 8.370 nan 0.000 0.532 258 T N -2.805 111.781 114.554 0.052 0.000 3.107 258 T HA 0.182 4.532 4.350 -0.002 0.000 0.249 258 T C 1.324 176.100 174.700 0.126 0.000 1.096 258 T CA -0.156 61.998 62.100 0.089 0.000 1.012 258 T CB -0.190 68.681 68.868 0.005 0.000 0.977 258 T HN 0.201 nan 8.240 nan 0.000 0.527 259 L N 0.406 121.672 121.223 0.072 0.000 3.229 259 L HA 0.355 4.694 4.340 -0.002 0.000 0.286 259 L C 0.907 177.795 176.870 0.030 0.000 1.239 259 L CA -0.257 54.611 54.840 0.047 0.000 1.035 259 L CB 0.473 42.557 42.059 0.042 0.000 1.408 259 L HN -0.039 nan 8.230 nan 0.000 0.593 260 D N 1.803 122.217 120.400 0.022 0.000 2.204 260 D HA -0.307 4.332 4.640 -0.002 0.000 0.189 260 D C 2.170 178.474 176.300 0.007 0.000 1.006 260 D CA 2.130 56.133 54.000 0.004 0.000 0.855 260 D CB 0.075 40.863 40.800 -0.020 0.000 0.946 260 D HN 0.400 nan 8.370 nan 0.000 0.448 261 A N 0.016 122.830 122.820 -0.011 0.000 1.930 261 A HA -0.080 4.239 4.320 -0.002 0.000 0.217 261 A C 2.496 180.119 177.584 0.064 0.000 1.175 261 A CA 1.198 53.246 52.037 0.018 0.000 0.627 261 A CB -0.514 18.493 19.000 0.011 0.000 0.815 261 A HN 0.174 nan 8.150 nan 0.000 0.443 262 V N 0.111 120.027 119.914 0.004 0.000 2.379 262 V HA -0.195 3.924 4.120 -0.002 0.000 0.245 262 V C 2.478 178.688 176.094 0.195 0.000 1.044 262 V CA 1.770 64.111 62.300 0.068 0.000 1.036 262 V CB -0.704 31.132 31.823 0.021 0.000 0.664 262 V HN 0.561 nan 8.190 nan 0.000 0.453 263 L N 0.132 121.429 121.223 0.123 0.000 2.156 263 L HA -0.044 4.295 4.340 -0.002 0.000 0.208 263 L C 2.698 179.636 176.870 0.112 0.000 1.095 263 L CA 1.206 56.119 54.840 0.122 0.000 0.770 263 L CB -0.814 41.289 42.059 0.074 0.000 0.914 263 L HN 0.329 nan 8.230 nan 0.000 0.439 264 A N 0.119 122.991 122.820 0.086 0.000 1.877 264 A HA -0.162 4.157 4.320 -0.002 0.000 0.216 264 A C 2.369 180.007 177.584 0.090 0.000 1.186 264 A CA 1.367 53.445 52.037 0.067 0.000 0.620 264 A CB -0.236 18.787 19.000 0.039 0.000 0.822 264 A HN 0.173 nan 8.150 nan 0.000 0.443 265 K N -0.176 120.298 120.400 0.123 0.000 2.057 265 K HA 0.014 4.333 4.320 -0.002 0.000 0.206 265 K C 1.930 178.695 176.600 0.274 0.000 1.050 265 K CA 0.979 57.355 56.287 0.148 0.000 0.935 265 K CB -0.654 31.876 32.500 0.051 0.000 0.715 265 K HN 0.540 nan 8.250 nan 0.000 0.439 266 L N 0.628 122.062 121.223 0.351 0.000 2.042 266 L HA -0.195 4.144 4.340 -0.002 0.000 0.210 266 L C 2.661 179.622 176.870 0.152 0.000 1.076 266 L CA 1.353 56.352 54.840 0.264 0.000 0.749 266 L CB -0.401 41.798 42.059 0.234 0.000 0.893 266 L HN 0.166 nan 8.230 nan 0.000 0.432 267 R N -0.092 120.484 120.500 0.126 0.000 2.091 267 R HA -0.182 4.157 4.340 -0.002 0.000 0.238 267 R C 1.932 178.276 176.300 0.073 0.000 1.136 267 R CA 1.719 57.872 56.100 0.088 0.000 0.959 267 R CB -0.491 29.851 30.300 0.070 0.000 0.856 267 R HN 0.363 nan 8.270 nan 0.000 0.437 268 D N 0.467 120.911 120.400 0.073 0.000 2.149 268 D HA -0.130 4.509 4.640 -0.002 0.000 0.198 268 D C 1.606 177.937 176.300 0.053 0.000 0.990 268 D CA 1.511 55.541 54.000 0.049 0.000 0.839 268 D CB -0.171 40.649 40.800 0.032 0.000 0.948 268 D HN 0.270 nan 8.370 nan 0.000 0.460 269 A N -0.741 122.129 122.820 0.083 0.000 2.167 269 A HA 0.354 4.673 4.320 -0.002 0.000 0.214 269 A C 1.819 179.437 177.584 0.056 0.000 1.151 269 A CA 1.464 53.544 52.037 0.072 0.000 0.735 269 A CB -0.075 18.984 19.000 0.099 0.000 0.802 269 A HN 0.308 nan 8.150 nan 0.000 0.467 270 G N -2.551 106.286 108.800 0.062 0.000 2.192 270 G HA2 0.174 4.133 3.960 -0.002 0.000 0.193 270 G HA3 0.174 4.133 3.960 -0.002 0.000 0.193 270 G C 0.377 175.326 174.900 0.081 0.000 0.999 270 G CA 0.051 45.187 45.100 0.060 0.000 0.659 270 G HN 1.490 nan 8.290 nan 0.000 0.503 271 A N 0.471 123.342 122.820 0.086 0.000 2.477 271 A HA 0.495 4.814 4.320 -0.002 0.000 0.246 271 A C 0.275 177.929 177.584 0.118 0.000 1.078 271 A CA 0.734 52.830 52.037 0.099 0.000 0.770 271 A CB 0.369 19.422 19.000 0.089 0.000 1.011 271 A HN 0.497 nan 8.150 nan 0.000 0.494 272 D N 2.455 122.951 120.400 0.161 0.000 2.352 272 D HA 0.373 5.012 4.640 -0.002 0.000 0.245 272 D C -0.459 175.925 176.300 0.139 0.000 1.224 272 D CA 0.189 54.297 54.000 0.179 0.000 0.879 272 D CB -0.066 40.946 40.800 0.354 0.000 1.057 272 D HN 0.354 nan 8.370 nan 0.000 0.491 273 I N 3.087 123.725 120.570 0.114 0.000 2.412 273 I HA 0.323 4.492 4.170 -0.002 0.000 0.296 273 I C 0.479 176.655 176.117 0.098 0.000 0.987 273 I CA -0.691 60.671 61.300 0.104 0.000 1.180 273 I CB 1.573 39.625 38.000 0.085 0.000 1.340 273 I HN 0.252 nan 8.210 nan 0.000 0.455 274 E N 4.658 124.932 120.200 0.124 0.000 2.288 274 E HA 0.624 4.973 4.350 -0.002 0.000 0.268 274 E C -1.368 175.179 176.600 -0.088 0.000 0.885 274 E CA -0.771 55.683 56.400 0.090 0.000 0.767 274 E CB 3.300 33.158 29.700 0.264 0.000 1.220 274 E HN 0.407 nan 8.360 nan 0.000 0.427 275 V N -0.856 118.844 119.914 -0.357 0.000 2.914 275 V HA 0.974 5.093 4.120 -0.002 0.000 0.314 275 V C -0.205 175.191 176.094 -1.163 0.000 1.084 275 V CA -0.286 61.592 62.300 -0.705 0.000 0.963 275 V CB 1.625 33.233 31.823 -0.358 0.000 1.025 275 V HN 0.726 nan 8.190 nan 0.000 0.432 276 G N 1.025 108.799 108.800 -1.710 0.000 3.251 276 G HA2 0.459 4.418 3.960 -0.002 0.000 0.248 276 G HA3 0.459 4.418 3.960 -0.002 0.000 0.248 276 G C 0.049 174.571 174.900 -0.630 0.000 1.320 276 G CA 0.059 44.409 45.100 -1.249 0.000 0.982 276 G HN 0.726 nan 8.290 nan 0.000 0.575 277 E N -0.138 119.879 120.200 -0.305 0.000 2.106 277 E HA -0.087 4.262 4.350 -0.002 0.000 0.192 277 E C 0.516 177.057 176.600 -0.098 0.000 0.984 277 E CA 1.557 57.876 56.400 -0.134 0.000 0.806 277 E CB 0.208 29.890 29.700 -0.030 0.000 0.750 277 E HN 0.552 nan 8.360 nan 0.000 0.458 278 D N -1.409 118.963 120.400 -0.046 0.000 2.760 278 D HA 0.022 4.661 4.640 -0.002 0.000 0.314 278 D C -0.097 176.300 176.300 0.162 0.000 1.464 278 D CA -0.494 53.532 54.000 0.044 0.000 0.797 278 D CB -0.941 39.908 40.800 0.082 0.000 1.149 278 D HN 0.149 nan 8.370 nan 0.000 0.455 279 W N 0.170 121.475 121.300 0.008 0.000 3.213 279 W HA 0.629 5.289 4.660 -0.000 0.000 0.318 279 W C -2.164 174.365 176.519 0.017 0.000 1.248 279 W CA -1.291 56.059 57.345 0.008 0.000 1.187 279 W CB 0.440 29.900 29.460 0.001 0.000 1.403 279 W HN -0.275 nan 8.180 nan 0.000 0.556 280 I N 3.465 124.237 120.570 0.337 0.000 2.499 280 I HA 0.291 4.460 4.170 -0.002 0.000 0.288 280 I C 0.066 176.415 176.117 0.386 0.000 1.048 280 I CA -0.787 60.650 61.300 0.229 0.000 1.062 280 I CB 2.376 40.444 38.000 0.113 0.000 1.238 280 I HN 0.432 nan 8.210 nan 0.000 0.426 281 S N 6.909 122.866 115.700 0.428 0.000 2.509 281 S HA 0.803 5.273 4.470 -0.002 0.000 0.297 281 S C -0.857 173.846 174.600 0.173 0.000 1.118 281 S CA -0.740 57.630 58.200 0.282 0.000 1.074 281 S CB 2.316 65.693 63.200 0.295 0.000 1.038 281 S HN 0.635 nan 8.310 nan 0.000 0.498 282 L N 2.148 123.437 121.223 0.110 0.000 2.385 282 L HA 0.718 5.057 4.340 -0.002 0.000 0.273 282 L C -1.742 175.141 176.870 0.022 0.000 0.990 282 L CA -0.293 54.594 54.840 0.078 0.000 0.821 282 L CB 1.864 43.968 42.059 0.076 0.000 1.279 282 L HN 0.803 nan 8.230 nan 0.000 0.412 283 D N 4.557 124.952 120.400 -0.009 0.000 2.757 283 D HA 0.300 4.939 4.640 -0.002 0.000 0.249 283 D C 0.272 176.507 176.300 -0.108 0.000 1.168 283 D CA -0.438 53.467 54.000 -0.158 0.000 0.870 283 D CB 1.815 42.391 40.800 -0.373 0.000 1.411 283 D HN 0.479 nan 8.370 nan 0.000 0.525 284 M N 1.534 121.082 119.600 -0.086 0.000 2.541 284 M HA 0.030 4.509 4.480 -0.002 0.000 0.252 284 M C 0.220 176.591 176.300 0.118 0.000 1.125 284 M CA 0.389 55.710 55.300 0.035 0.000 1.091 284 M CB -0.653 31.959 32.600 0.020 0.000 1.420 284 M HN 0.528 nan 8.290 nan 0.000 0.486 285 H N -0.003 119.079 119.070 0.020 0.000 2.770 285 H HA -0.152 4.403 4.556 -0.002 0.000 0.309 285 H C 1.199 176.535 175.328 0.013 0.000 1.206 285 H CA 0.648 56.706 56.048 0.017 0.000 1.147 285 H CB -2.181 27.592 29.762 0.018 0.000 1.422 285 H HN 0.658 nan 8.280 nan 0.000 0.420 286 G N -0.114 108.718 108.800 0.053 0.000 2.143 286 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.248 286 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.248 286 G C 0.178 175.103 174.900 0.041 0.000 0.991 286 G CA 0.904 46.026 45.100 0.038 0.000 0.689 286 G HN 0.513 nan 8.290 nan 0.000 0.522 287 K N -0.487 119.944 120.400 0.051 0.000 2.259 287 K HA 0.587 4.906 4.320 -0.002 0.000 0.249 287 K C 0.568 177.187 176.600 0.033 0.000 0.942 287 K CA -0.980 55.334 56.287 0.044 0.000 0.816 287 K CB 1.396 33.930 32.500 0.057 0.000 1.155 287 K HN 0.231 nan 8.250 nan 0.000 0.428 288 R N 3.171 123.686 120.500 0.025 0.000 2.537 288 R HA 0.127 4.466 4.340 -0.002 0.000 0.280 288 R C -2.114 174.198 176.300 0.019 0.000 1.058 288 R CA -1.177 54.933 56.100 0.018 0.000 1.057 288 R CB 0.369 30.679 30.300 0.017 0.000 0.973 288 R HN 0.364 nan 8.270 nan 0.000 0.438 289 P HA 0.004 nan 4.420 nan 0.000 0.268 289 P C -1.167 176.142 177.300 0.014 0.000 1.208 289 P CA 0.141 63.248 63.100 0.012 0.000 0.777 289 P CB 0.592 32.287 31.700 -0.008 0.000 0.875 290 K N 0.946 121.357 120.400 0.019 0.000 2.110 290 K HA 0.540 4.859 4.320 -0.002 0.000 0.263 290 K C 0.255 176.861 176.600 0.010 0.000 0.975 290 K CA -0.731 55.565 56.287 0.015 0.000 0.895 290 K CB 1.363 33.873 32.500 0.017 0.000 1.060 290 K HN 0.528 nan 8.250 nan 0.000 0.448 291 A N 1.633 124.451 122.820 -0.003 0.000 2.445 291 A HA 0.408 4.727 4.320 -0.002 0.000 0.242 291 A C 0.104 177.667 177.584 -0.035 0.000 1.075 291 A CA -0.379 51.646 52.037 -0.020 0.000 0.777 291 A CB 0.131 19.109 19.000 -0.038 0.000 1.013 291 A HN 0.514 nan 8.150 nan 0.000 0.493 292 V N -0.007 119.874 119.914 -0.055 0.000 3.040 292 V HA 0.589 4.708 4.120 -0.002 0.000 0.312 292 V C -0.563 175.376 176.094 -0.259 0.000 1.115 292 V CA -1.220 61.014 62.300 -0.110 0.000 0.998 292 V CB 1.769 33.573 31.823 -0.033 0.000 1.042 292 V HN 0.888 nan 8.190 nan 0.000 0.433 293 N N 0.796 119.258 118.700 -0.396 0.000 2.421 293 N HA 0.760 5.499 4.740 -0.002 0.000 0.285 293 N C -1.225 173.916 175.510 -0.615 0.000 1.027 293 N CA -0.576 52.021 53.050 -0.755 0.000 0.918 293 N CB 2.137 40.052 38.487 -0.954 0.000 1.152 293 N HN 0.629 nan 8.380 nan 0.000 0.485 294 V N 1.666 121.194 119.914 -0.642 0.000 2.841 294 V HA 0.505 4.624 4.120 -0.002 0.000 0.310 294 V C -0.452 175.445 176.094 -0.327 0.000 1.090 294 V CA -0.804 61.146 62.300 -0.584 0.000 0.930 294 V CB 2.135 33.450 31.823 -0.847 0.000 1.014 294 V HN 0.672 nan 8.190 nan 0.000 0.425 295 R N 2.119 122.480 120.500 -0.233 0.000 2.500 295 R HA 0.528 4.867 4.340 -0.002 0.000 0.299 295 R C -0.180 176.129 176.300 0.015 0.000 1.038 295 R CA -0.244 55.839 56.100 -0.029 0.000 0.903 295 R CB 1.680 32.003 30.300 0.039 0.000 1.177 295 R HN 0.957 nan 8.270 nan 0.000 0.455 296 T N 1.154 115.757 114.554 0.082 0.000 2.898 296 T HA 0.722 5.071 4.350 -0.002 0.000 0.301 296 T C 0.097 174.853 174.700 0.093 0.000 1.049 296 T CA -0.064 62.141 62.100 0.176 0.000 1.095 296 T CB 1.589 70.569 68.868 0.187 0.000 0.976 296 T HN 0.708 nan 8.240 nan 0.000 0.539 297 A N 2.743 125.612 122.820 0.082 0.000 2.567 297 A HA 0.707 5.026 4.320 -0.002 0.000 0.291 297 A C -3.180 174.417 177.584 0.022 0.000 1.048 297 A CA -1.645 50.408 52.037 0.027 0.000 0.661 297 A CB 0.250 19.263 19.000 0.021 0.000 1.288 297 A HN 0.662 nan 8.150 nan 0.000 0.424 298 P HA 0.241 nan 4.420 nan 0.000 0.268 298 P C -0.308 177.019 177.300 0.044 0.000 1.208 298 P CA 0.330 63.446 63.100 0.026 0.000 0.777 298 P CB 0.135 31.843 31.700 0.013 0.000 0.875 299 H N 3.807 122.869 119.070 -0.012 0.000 3.115 299 H HA -0.021 4.535 4.556 -0.001 0.000 0.324 299 H C -1.264 174.059 175.328 -0.008 0.000 1.007 299 H CA -0.390 55.650 56.048 -0.013 0.000 1.385 299 H CB 0.238 29.993 29.762 -0.012 0.000 1.351 299 H HN 0.306 nan 8.280 nan 0.000 0.592 300 P HA 0.161 nan 4.420 nan 0.000 0.262 300 P C -0.287 176.783 177.300 -0.383 0.000 1.304 300 P CA 0.141 62.658 63.100 -0.972 0.000 0.859 300 P CB 0.130 31.448 31.700 -0.637 0.000 1.310 301 A N 0.438 123.152 122.820 -0.175 0.000 2.325 301 A HA 0.225 4.544 4.320 -0.002 0.000 0.260 301 A C -0.198 177.386 177.584 -0.001 0.000 1.133 301 A CA -0.442 51.566 52.037 -0.049 0.000 0.801 301 A CB -0.599 18.401 19.000 -0.001 0.000 1.092 301 A HN 0.157 nan 8.150 nan 0.000 0.504 302 F N 1.625 121.523 119.950 -0.088 0.000 2.578 302 F HA 0.317 4.843 4.527 -0.003 0.000 0.381 302 F C -1.716 174.056 175.800 -0.046 0.000 1.069 302 F CA -1.460 56.480 58.000 -0.100 0.000 1.231 302 F CB 0.662 39.562 39.000 -0.166 0.000 1.086 302 F HN 0.258 nan 8.300 nan 0.000 0.564 303 P HA 0.041 nan 4.420 nan 0.000 0.284 303 P C 0.223 177.526 177.300 0.006 0.000 1.253 303 P CA -0.262 62.769 63.100 -0.114 0.000 0.800 303 P CB 1.572 33.184 31.700 -0.147 0.000 0.961 304 T N 0.471 115.089 114.554 0.107 0.000 2.881 304 T HA -0.121 4.228 4.350 -0.002 0.000 0.270 304 T C 0.843 175.637 174.700 0.157 0.000 1.068 304 T CA 1.555 63.762 62.100 0.178 0.000 1.131 304 T CB -0.751 68.232 68.868 0.192 0.000 0.871 304 T HN 0.308 nan 8.240 nan 0.000 0.479 305 D N 0.532 120.988 120.400 0.093 0.000 2.378 305 D HA 0.046 4.685 4.640 -0.002 0.000 0.227 305 D C 1.244 177.577 176.300 0.056 0.000 1.012 305 D CA 0.428 54.465 54.000 0.061 0.000 0.905 305 D CB 0.073 40.892 40.800 0.032 0.000 0.895 305 D HN 0.415 nan 8.370 nan 0.000 0.532 306 M N -0.108 119.527 119.600 0.058 0.000 2.313 306 M HA 0.056 4.535 4.480 -0.002 0.000 0.273 306 M C 1.632 178.202 176.300 0.450 0.000 1.049 306 M CA 0.111 55.506 55.300 0.158 0.000 1.004 306 M CB 0.513 33.038 32.600 -0.125 0.000 1.461 306 M HN -0.023 nan 8.290 nan 0.000 0.514 307 Q N 0.840 120.872 119.800 0.387 0.000 2.083 307 Q HA -0.051 4.288 4.340 -0.002 0.000 0.198 307 Q C 1.691 177.873 176.000 0.303 0.000 0.969 307 Q CA 1.871 57.933 55.803 0.432 0.000 0.838 307 Q CB 0.192 29.128 28.738 0.329 0.000 0.900 307 Q HN 0.449 nan 8.270 nan 0.000 0.436 308 A N 0.441 123.293 122.820 0.053 0.000 1.969 308 A HA -0.191 4.128 4.320 -0.002 0.000 0.218 308 A C 1.964 179.543 177.584 -0.008 0.000 1.169 308 A CA 1.376 53.222 52.037 -0.317 0.000 0.635 308 A CB -0.323 18.236 19.000 -0.734 0.000 0.810 308 A HN 0.437 nan 8.150 nan 0.000 0.445 309 Q N -1.283 118.571 119.800 0.091 0.000 2.079 309 Q HA -0.028 4.311 4.340 -0.002 0.000 0.200 309 Q C 1.590 177.640 176.000 0.082 0.000 0.974 309 Q CA 1.586 57.435 55.803 0.077 0.000 0.840 309 Q CB -0.372 28.416 28.738 0.083 0.000 0.898 309 Q HN 0.696 nan 8.270 nan 0.000 0.430 310 F N 0.014 120.050 119.950 0.143 0.000 2.293 310 F HA -0.100 4.427 4.527 0.000 0.000 0.297 310 F C 2.227 178.071 175.800 0.073 0.000 1.089 310 F CA 1.112 59.185 58.000 0.121 0.000 1.377 310 F CB -0.350 38.742 39.000 0.154 0.000 1.051 310 F HN 0.003 nan 8.300 nan 0.000 0.511 311 T N 0.926 115.655 114.554 0.291 0.000 2.665 311 T HA -0.256 4.093 4.350 -0.002 0.000 0.268 311 T C 1.996 176.779 174.700 0.139 0.000 1.035 311 T CA 1.686 63.919 62.100 0.221 0.000 1.151 311 T CB -0.628 68.471 68.868 0.385 0.000 0.862 311 T HN 0.161 nan 8.240 nan 0.000 0.438 312 L N 1.147 122.448 121.223 0.129 0.000 1.989 312 L HA 0.018 4.357 4.340 -0.002 0.000 0.211 312 L C 2.270 179.144 176.870 0.007 0.000 1.071 312 L CA 1.598 56.474 54.840 0.061 0.000 0.749 312 L CB -0.999 41.083 42.059 0.038 0.000 0.890 312 L HN 0.285 nan 8.230 nan 0.000 0.431 313 L N -0.182 121.014 121.223 -0.046 0.000 2.013 313 L HA -0.305 4.034 4.340 -0.002 0.000 0.212 313 L C 2.249 179.103 176.870 -0.027 0.000 1.073 313 L CA 2.000 56.786 54.840 -0.091 0.000 0.753 313 L CB -0.597 41.306 42.059 -0.261 0.000 0.890 313 L HN 0.423 nan 8.230 nan 0.000 0.432 314 N N -0.204 118.503 118.700 0.012 0.000 2.289 314 N HA -0.152 4.587 4.740 -0.002 0.000 0.184 314 N C 1.691 177.196 175.510 -0.008 0.000 1.016 314 N CA 1.271 54.323 53.050 0.003 0.000 0.872 314 N CB -0.274 38.211 38.487 -0.003 0.000 0.973 314 N HN 0.403 nan 8.380 nan 0.000 0.433 315 L N -0.030 121.197 121.223 0.007 0.000 2.492 315 L HA 0.048 4.388 4.340 -0.002 0.000 0.223 315 L C 1.438 178.322 176.870 0.024 0.000 1.132 315 L CA 0.261 55.110 54.840 0.015 0.000 0.850 315 L CB 0.185 42.261 42.059 0.029 0.000 0.966 315 L HN 0.045 nan 8.230 nan 0.000 0.454 316 V N -4.708 115.213 119.914 0.013 0.000 3.528 316 V HA 0.464 4.583 4.120 -0.002 0.000 0.294 316 V C 1.010 177.110 176.094 0.010 0.000 1.404 316 V CA -0.171 62.137 62.300 0.014 0.000 1.065 316 V CB -0.364 31.463 31.823 0.007 0.000 0.904 316 V HN 0.102 nan 8.190 nan 0.000 0.435 317 A N 0.748 123.571 122.820 0.005 0.000 2.296 317 A HA 0.513 4.832 4.320 -0.002 0.000 0.264 317 A C 0.305 177.896 177.584 0.012 0.000 1.097 317 A CA -0.428 51.611 52.037 0.004 0.000 0.811 317 A CB 0.123 19.123 19.000 -0.001 0.000 1.072 317 A HN 0.525 nan 8.150 nan 0.000 0.495 318 E N 0.201 120.409 120.200 0.013 0.000 2.259 318 E HA 0.433 4.782 4.350 -0.002 0.000 0.281 318 E C 0.655 177.264 176.600 0.014 0.000 1.037 318 E CA 0.959 57.370 56.400 0.018 0.000 0.854 318 E CB 0.649 30.359 29.700 0.018 0.000 1.051 318 E HN 1.267 nan 8.360 nan 0.000 0.409 319 G N 2.987 111.800 108.800 0.023 0.000 2.587 319 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.212 319 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.212 319 G C -0.484 174.417 174.900 0.003 0.000 1.327 319 G CA -0.603 44.510 45.100 0.022 0.000 0.898 319 G HN 0.478 nan 8.290 nan 0.000 0.551 320 T N 0.422 114.967 114.554 -0.015 0.000 2.829 320 T HA 0.788 5.137 4.350 -0.002 0.000 0.280 320 T C 0.470 175.113 174.700 -0.094 0.000 0.999 320 T CA 0.510 62.558 62.100 -0.086 0.000 0.983 320 T CB 1.661 70.506 68.868 -0.037 0.000 0.968 320 T HN 1.899 nan 8.240 nan 0.000 0.446 321 G N 1.605 110.321 108.800 -0.140 0.000 2.692 321 G HA2 0.717 4.676 3.960 -0.002 0.000 0.291 321 G HA3 0.717 4.676 3.960 -0.002 0.000 0.291 321 G C -1.700 173.143 174.900 -0.096 0.000 1.423 321 G CA -0.885 44.134 45.100 -0.135 0.000 0.843 321 G HN 0.646 nan 8.290 nan 0.000 0.486 322 F N -0.223 119.652 119.950 -0.125 0.000 2.561 322 F HA 0.856 5.381 4.527 -0.003 0.000 0.321 322 F C -0.904 174.833 175.800 -0.104 0.000 1.065 322 F CA -1.929 55.994 58.000 -0.129 0.000 0.934 322 F CB 1.683 40.614 39.000 -0.115 0.000 1.215 322 F HN 0.273 nan 8.300 nan 0.000 0.471 323 I N 2.381 123.042 120.570 0.152 0.000 2.418 323 I HA 0.337 4.507 4.170 -0.002 0.000 0.287 323 I C -0.708 175.590 176.117 0.302 0.000 1.008 323 I CA -0.487 60.887 61.300 0.123 0.000 1.104 323 I CB 1.452 39.528 38.000 0.126 0.000 1.264 323 I HN 0.705 nan 8.210 nan 0.000 0.438 324 T N 4.631 119.377 114.554 0.320 0.000 2.770 324 T HA 0.294 4.643 4.350 -0.002 0.000 0.283 324 T C -0.080 174.769 174.700 0.249 0.000 0.988 324 T CA -0.444 61.843 62.100 0.310 0.000 0.957 324 T CB 1.625 70.643 68.868 0.250 0.000 0.930 324 T HN 0.428 nan 8.240 nan 0.000 0.443 325 E N 2.176 122.544 120.200 0.280 0.000 2.081 325 E HA 0.338 4.687 4.350 -0.002 0.000 0.276 325 E C 0.925 177.554 176.600 0.048 0.000 0.950 325 E CA -0.550 55.918 56.400 0.112 0.000 0.776 325 E CB 0.637 30.264 29.700 -0.121 0.000 1.094 325 E HN 0.665 nan 8.360 nan 0.000 0.402 326 T N 0.255 114.823 114.554 0.024 0.000 3.023 326 T HA 0.130 4.479 4.350 -0.002 0.000 0.253 326 T C 1.092 175.744 174.700 -0.079 0.000 1.038 326 T CA 0.394 62.488 62.100 -0.010 0.000 0.962 326 T CB 0.147 69.015 68.868 0.000 0.000 1.018 326 T HN 0.178 nan 8.240 nan 0.000 0.521 327 V N -0.316 119.520 119.914 -0.131 0.000 2.581 327 V HA 0.408 4.527 4.120 -0.002 0.000 0.240 327 V C 0.223 175.977 176.094 -0.567 0.000 1.054 327 V CA 0.397 62.489 62.300 -0.347 0.000 1.076 327 V CB -0.303 31.280 31.823 -0.401 0.000 0.748 327 V HN 0.389 nan 8.190 nan 0.000 0.474 328 F N 1.076 120.991 119.950 -0.059 0.000 2.495 328 F HA 0.420 4.948 4.527 0.001 0.000 0.327 328 F C 1.275 177.004 175.800 -0.118 0.000 1.103 328 F CA -1.320 56.632 58.000 -0.080 0.000 0.949 328 F CB 1.331 40.278 39.000 -0.088 0.000 1.142 328 F HN 0.042 nan 8.300 nan 0.000 0.457 329 E N 0.342 120.607 120.200 0.107 0.000 2.435 329 E HA -0.096 4.254 4.350 -0.002 0.000 0.195 329 E C -0.142 176.447 176.600 -0.018 0.000 1.029 329 E CA 0.826 57.239 56.400 0.022 0.000 0.865 329 E CB -0.083 29.637 29.700 0.034 0.000 0.833 329 E HN 0.550 nan 8.360 nan 0.000 0.510 330 N N 0.359 119.044 118.700 -0.024 0.000 2.646 330 N HA 0.145 4.884 4.740 -0.002 0.000 0.296 330 N C -0.807 174.647 175.510 -0.093 0.000 1.886 330 N CA -0.209 52.811 53.050 -0.051 0.000 0.855 330 N CB 0.468 38.950 38.487 -0.009 0.000 1.336 330 N HN -0.050 nan 8.380 nan 0.000 0.496 331 R N 0.488 120.849 120.500 -0.232 0.000 2.935 331 R HA 0.278 4.617 4.340 -0.002 0.000 0.354 331 R C -0.580 175.661 176.300 -0.098 0.000 1.206 331 R CA -0.012 55.990 56.100 -0.163 0.000 1.082 331 R CB -0.086 30.136 30.300 -0.130 0.000 1.431 331 R HN 0.118 nan 8.270 nan 0.000 0.582 332 F N -0.332 119.696 119.950 0.131 0.000 2.791 332 F HA 0.263 4.789 4.527 -0.002 0.000 0.308 332 F C 1.186 176.894 175.800 -0.154 0.000 1.138 332 F CA -0.366 57.619 58.000 -0.024 0.000 1.294 332 F CB 0.381 39.351 39.000 -0.050 0.000 0.975 332 F HN 0.058 nan 8.300 nan 0.000 0.512 333 M N -0.782 118.918 119.600 0.167 0.000 2.492 333 M HA -0.108 4.371 4.480 -0.002 0.000 0.262 333 M C 2.066 178.410 176.300 0.073 0.000 1.090 333 M CA 1.124 56.475 55.300 0.084 0.000 1.110 333 M CB -0.500 32.134 32.600 0.057 0.000 1.407 333 M HN 0.405 nan 8.290 nan 0.000 0.470 334 H N -1.974 117.134 119.070 0.062 0.000 2.457 334 H HA -0.014 4.541 4.556 -0.002 0.000 0.294 334 H C 1.802 177.167 175.328 0.062 0.000 1.064 334 H CA 0.841 56.919 56.048 0.051 0.000 1.330 334 H CB -0.705 29.093 29.762 0.061 0.000 1.395 334 H HN 0.090 nan 8.280 nan 0.000 0.541 335 V N 1.743 121.411 119.914 -0.409 0.000 2.261 335 V HA -0.150 3.969 4.120 -0.002 0.000 0.246 335 V C -0.320 175.721 176.094 -0.089 0.000 1.047 335 V CA 1.927 64.068 62.300 -0.265 0.000 1.015 335 V CB -1.132 30.508 31.823 -0.305 0.000 0.642 335 V HN 0.442 nan 8.190 nan 0.000 0.446 336 P HA -0.102 nan 4.420 nan 0.000 0.222 336 P C 1.461 178.762 177.300 0.002 0.000 1.147 336 P CA 1.070 64.160 63.100 -0.015 0.000 0.790 336 P CB 0.000 31.698 31.700 -0.004 0.000 0.780 337 E N -0.611 119.595 120.200 0.010 0.000 2.112 337 E HA -0.008 4.341 4.350 -0.002 0.000 0.190 337 E C 2.048 178.666 176.600 0.030 0.000 0.979 337 E CA 0.769 57.185 56.400 0.026 0.000 0.814 337 E CB -0.699 29.025 29.700 0.040 0.000 0.762 337 E HN 0.331 nan 8.360 nan 0.000 0.460 338 L N 0.704 121.947 121.223 0.032 0.000 2.156 338 L HA -0.071 4.268 4.340 -0.002 0.000 0.208 338 L C 2.390 179.277 176.870 0.029 0.000 1.095 338 L CA 0.557 55.420 54.840 0.038 0.000 0.770 338 L CB -0.187 41.901 42.059 0.050 0.000 0.914 338 L HN -0.005 nan 8.230 nan 0.000 0.439 339 S N -0.128 115.584 115.700 0.019 0.000 2.383 339 S HA -0.164 4.305 4.470 -0.002 0.000 0.229 339 S C 1.988 176.600 174.600 0.020 0.000 1.030 339 S CA 1.143 59.356 58.200 0.023 0.000 1.002 339 S CB -0.205 63.005 63.200 0.016 0.000 0.829 339 S HN 0.384 nan 8.310 nan 0.000 0.467 340 R N 0.601 121.111 120.500 0.017 0.000 2.159 340 R HA 0.064 4.403 4.340 -0.002 0.000 0.237 340 R C 1.642 177.953 176.300 0.017 0.000 1.131 340 R CA 1.034 57.143 56.100 0.016 0.000 0.982 340 R CB -0.283 30.028 30.300 0.017 0.000 0.868 340 R HN 0.434 nan 8.270 nan 0.000 0.453 341 M N -0.621 118.993 119.600 0.022 0.000 2.494 341 M HA 0.156 4.635 4.480 -0.002 0.000 0.232 341 M C 0.703 177.018 176.300 0.024 0.000 1.137 341 M CA 0.461 55.775 55.300 0.023 0.000 1.012 341 M CB 1.116 33.732 32.600 0.028 0.000 1.567 341 M HN 0.449 nan 8.290 nan 0.000 0.486 342 G N 0.610 109.424 108.800 0.023 0.000 2.175 342 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.244 342 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.244 342 G C 0.234 175.162 174.900 0.046 0.000 0.982 342 G CA -0.012 45.103 45.100 0.025 0.000 0.641 342 G HN 0.661 nan 8.290 nan 0.000 0.527 343 A N -0.004 122.849 122.820 0.055 0.000 2.406 343 A HA 0.577 4.896 4.320 -0.002 0.000 0.243 343 A C 0.189 177.857 177.584 0.140 0.000 1.082 343 A CA 0.728 52.814 52.037 0.082 0.000 0.786 343 A CB 0.251 19.286 19.000 0.059 0.000 1.029 343 A HN 1.109 nan 8.150 nan 0.000 0.495 344 H N 0.322 119.419 119.070 0.044 0.000 2.866 344 H HA 0.572 5.127 4.556 -0.001 0.000 0.287 344 H C -0.435 174.960 175.328 0.112 0.000 1.106 344 H CA -0.181 55.910 56.048 0.072 0.000 1.396 344 H CB 0.457 30.269 29.762 0.083 0.000 1.469 344 H HN 0.871 nan 8.280 nan 0.000 0.500 345 A N 4.272 127.207 122.820 0.191 0.000 2.430 345 A HA 0.591 4.910 4.320 -0.002 0.000 0.300 345 A C -1.077 176.544 177.584 0.062 0.000 1.124 345 A CA -0.813 51.240 52.037 0.027 0.000 0.766 345 A CB 1.963 20.936 19.000 -0.046 0.000 1.328 345 A HN 0.793 nan 8.150 nan 0.000 0.424 346 E N 0.465 120.651 120.200 -0.023 0.000 2.278 346 E HA 0.422 4.771 4.350 -0.002 0.000 0.272 346 E C -1.539 175.005 176.600 -0.093 0.000 0.890 346 E CA -0.209 56.187 56.400 -0.008 0.000 0.770 346 E CB 2.178 31.907 29.700 0.048 0.000 1.212 346 E HN 0.541 nan 8.360 nan 0.000 0.415 347 I N 2.775 123.288 120.570 -0.094 0.000 2.312 347 I HA 0.207 4.376 4.170 -0.002 0.000 0.290 347 I C -0.161 175.921 176.117 -0.059 0.000 1.008 347 I CA -0.475 60.743 61.300 -0.137 0.000 1.226 347 I CB 0.808 38.733 38.000 -0.125 0.000 1.371 347 I HN 0.303 nan 8.210 nan 0.000 0.468 348 E N 5.435 125.597 120.200 -0.062 0.000 2.256 348 E HA 0.354 4.704 4.350 -0.002 0.000 0.243 348 E C 0.048 176.648 176.600 0.001 0.000 0.925 348 E CA -0.156 56.227 56.400 -0.028 0.000 0.748 348 E CB 1.527 31.200 29.700 -0.046 0.000 1.206 348 E HN 0.774 nan 8.360 nan 0.000 0.428 349 S N 3.404 119.129 115.700 0.042 0.000 4.142 349 S HA -0.325 4.144 4.470 -0.002 0.000 0.624 349 S C 0.748 175.454 174.600 0.176 0.000 1.892 349 S CA 1.717 59.964 58.200 0.079 0.000 4.236 349 S CB -1.208 62.017 63.200 0.041 0.000 0.204 349 S HN 0.813 nan 8.310 nan 0.000 0.486 350 N N 0.610 119.415 118.700 0.174 0.000 2.295 350 N HA 0.310 5.049 4.740 -0.002 0.000 0.221 350 N C -0.321 175.436 175.510 0.412 0.000 1.129 350 N CA 0.366 53.606 53.050 0.316 0.000 0.836 350 N CB 0.521 39.103 38.487 0.159 0.000 1.040 350 N HN 0.321 nan 8.380 nan 0.000 0.494 351 T N 0.369 115.042 114.554 0.199 0.000 2.841 351 T HA 0.285 4.634 4.350 -0.002 0.000 0.283 351 T C -1.045 173.526 174.700 -0.214 0.000 1.000 351 T CA -0.674 61.452 62.100 0.043 0.000 0.977 351 T CB 2.398 71.226 68.868 -0.067 0.000 0.979 351 T HN -0.012 nan 8.240 nan 0.000 0.446 352 V N 5.701 125.398 119.914 -0.360 0.000 2.347 352 V HA 0.530 4.649 4.120 -0.002 0.000 0.280 352 V C -0.519 175.464 176.094 -0.186 0.000 1.021 352 V CA -0.874 61.159 62.300 -0.445 0.000 0.847 352 V CB 0.199 31.572 31.823 -0.750 0.000 0.990 352 V HN 0.807 nan 8.190 nan 0.000 0.444 353 I N 7.214 127.683 120.570 -0.169 0.000 2.337 353 I HA 0.312 4.481 4.170 -0.002 0.000 0.291 353 I C -0.106 175.826 176.117 -0.308 0.000 1.046 353 I CA -0.100 61.095 61.300 -0.176 0.000 1.324 353 I CB 0.555 38.470 38.000 -0.141 0.000 1.409 353 I HN 0.494 nan 8.210 nan 0.000 0.494 354 C N 5.867 124.957 119.300 -0.349 0.000 2.303 354 C HA 0.389 4.848 4.460 -0.002 0.000 0.326 354 C C 0.139 174.798 174.990 -0.551 0.000 1.285 354 C CA -0.664 58.146 59.018 -0.347 0.000 1.675 354 C CB -0.161 27.481 27.740 -0.163 0.000 2.289 354 C HN 0.617 nan 8.230 nan 0.000 0.512 355 H N 1.732 120.685 119.070 -0.196 0.000 2.673 355 H HA 0.296 4.852 4.556 -0.001 0.000 0.293 355 H C 0.638 175.933 175.328 -0.055 0.000 1.065 355 H CA -0.048 55.903 56.048 -0.162 0.000 1.236 355 H CB 1.036 30.610 29.762 -0.313 0.000 1.389 355 H HN 0.936 nan 8.280 nan 0.000 0.481 356 G N 2.219 111.040 108.800 0.036 0.000 2.353 356 G HA2 0.250 4.209 3.960 -0.002 0.000 0.239 356 G HA3 0.250 4.209 3.960 -0.002 0.000 0.239 356 G C 0.494 175.435 174.900 0.069 0.000 1.295 356 G CA -0.198 44.926 45.100 0.039 0.000 0.884 356 G HN 0.467 nan 8.290 nan 0.000 0.537 357 V N 0.246 120.198 119.914 0.063 0.000 2.815 357 V HA 0.554 4.673 4.120 -0.002 0.000 0.314 357 V C 1.019 177.137 176.094 0.040 0.000 1.064 357 V CA -0.616 61.721 62.300 0.062 0.000 0.952 357 V CB 2.000 33.866 31.823 0.071 0.000 1.020 357 V HN 0.858 nan 8.190 nan 0.000 0.439 358 E N 1.099 121.320 120.200 0.035 0.000 2.047 358 E HA -0.027 4.322 4.350 -0.002 0.000 0.191 358 E C 0.218 176.831 176.600 0.022 0.000 0.987 358 E CA 0.930 57.345 56.400 0.025 0.000 0.799 358 E CB 0.285 29.998 29.700 0.023 0.000 0.752 358 E HN 0.625 nan 8.360 nan 0.000 0.449 359 K N 0.443 120.857 120.400 0.023 0.000 2.375 359 K HA 0.408 4.728 4.320 -0.002 0.000 0.249 359 K C -0.576 176.037 176.600 0.022 0.000 0.942 359 K CA -0.597 55.701 56.287 0.019 0.000 0.806 359 K CB 1.946 34.455 32.500 0.015 0.000 1.227 359 K HN 0.063 nan 8.250 nan 0.000 0.430 360 L N 0.635 121.870 121.223 0.019 0.000 2.387 360 L HA 0.477 4.816 4.340 -0.002 0.000 0.266 360 L C 0.276 177.156 176.870 0.017 0.000 1.059 360 L CA -0.709 54.143 54.840 0.021 0.000 0.801 360 L CB 1.578 43.649 42.059 0.021 0.000 1.223 360 L HN 0.446 nan 8.230 nan 0.000 0.456 361 S N -0.417 115.294 115.700 0.017 0.000 2.503 361 S HA 0.522 4.991 4.470 -0.002 0.000 0.301 361 S C 0.036 174.646 174.600 0.016 0.000 1.087 361 S CA -0.650 57.559 58.200 0.014 0.000 1.042 361 S CB 1.835 65.042 63.200 0.012 0.000 1.043 361 S HN 0.763 nan 8.310 nan 0.000 0.489 362 G N 1.210 110.019 108.800 0.015 0.000 2.398 362 G HA2 0.522 4.481 3.960 -0.002 0.000 0.246 362 G HA3 0.522 4.481 3.960 -0.002 0.000 0.246 362 G C -0.357 174.554 174.900 0.019 0.000 1.289 362 G CA -0.045 45.065 45.100 0.018 0.000 0.869 362 G HN 0.930 nan 8.290 nan 0.000 0.543 363 A N 2.284 125.117 122.820 0.022 0.000 2.606 363 A HA 0.673 4.992 4.320 -0.002 0.000 0.293 363 A C -0.450 177.150 177.584 0.027 0.000 1.082 363 A CA -0.797 51.254 52.037 0.022 0.000 0.685 363 A CB 1.173 20.185 19.000 0.020 0.000 1.284 363 A HN 0.646 nan 8.150 nan 0.000 0.408 364 Q N 0.547 120.363 119.800 0.026 0.000 2.296 364 Q HA 0.445 4.784 4.340 -0.002 0.000 0.263 364 Q C 0.043 176.061 176.000 0.030 0.000 1.026 364 Q CA -0.177 55.644 55.803 0.030 0.000 0.912 364 Q CB 0.974 29.729 28.738 0.028 0.000 1.198 364 Q HN 0.842 nan 8.270 nan 0.000 0.407 365 V N -0.336 119.598 119.914 0.033 0.000 3.046 365 V HA 0.648 4.767 4.120 -0.002 0.000 0.316 365 V C -0.582 175.531 176.094 0.032 0.000 1.104 365 V CA -1.170 61.149 62.300 0.032 0.000 1.006 365 V CB 2.338 34.181 31.823 0.032 0.000 1.058 365 V HN 0.651 nan 8.190 nan 0.000 0.440 366 M N 2.624 122.241 119.600 0.029 0.000 2.085 366 M HA 0.606 5.085 4.480 -0.002 0.000 0.309 366 M C 0.021 176.329 176.300 0.014 0.000 0.947 366 M CA -0.421 54.897 55.300 0.030 0.000 0.918 366 M CB 1.148 33.769 32.600 0.035 0.000 1.504 366 M HN 1.124 nan 8.290 nan 0.000 0.420 367 A N 3.014 125.836 122.820 0.004 0.000 2.488 367 A HA 0.425 4.744 4.320 -0.002 0.000 0.249 367 A C 1.095 178.619 177.584 -0.100 0.000 1.083 367 A CA 0.180 52.189 52.037 -0.047 0.000 0.768 367 A CB -0.121 18.853 19.000 -0.042 0.000 1.017 367 A HN 0.914 nan 8.150 nan 0.000 0.496 368 T N -1.101 113.302 114.554 -0.251 0.000 2.978 368 T HA 0.326 4.676 4.350 -0.002 0.000 0.248 368 T C 0.109 174.294 174.700 -0.859 0.000 1.018 368 T CA 0.679 62.562 62.100 -0.361 0.000 1.026 368 T CB -0.365 68.412 68.868 -0.152 0.000 1.032 368 T HN 0.846 nan 8.240 nan 0.000 0.485 369 D N -0.682 119.223 120.400 -0.826 0.000 2.639 369 D HA 0.420 5.059 4.640 -0.002 0.000 0.271 369 D C 0.745 176.817 176.300 -0.380 0.000 1.254 369 D CA -0.947 52.646 54.000 -0.679 0.000 0.810 369 D CB 0.919 41.519 40.800 -0.334 0.000 1.351 369 D HN -0.084 nan 8.370 nan 0.000 0.427 370 L N 0.512 121.630 121.223 -0.176 0.000 1.971 370 L HA -0.092 4.247 4.340 -0.002 0.000 0.215 370 L C 1.943 178.830 176.870 0.028 0.000 1.072 370 L CA 1.783 56.610 54.840 -0.022 0.000 0.758 370 L CB -0.478 41.581 42.059 -0.001 0.000 0.889 370 L HN 0.454 nan 8.230 nan 0.000 0.433 371 R N -0.030 120.462 120.500 -0.014 0.000 2.148 371 R HA 0.098 4.437 4.340 -0.002 0.000 0.223 371 R C 2.201 178.458 176.300 -0.071 0.000 1.088 371 R CA 1.118 57.225 56.100 0.012 0.000 0.985 371 R CB -1.341 28.955 30.300 -0.007 0.000 0.880 371 R HN 0.555 nan 8.270 nan 0.000 0.451 372 A N 1.707 124.455 122.820 -0.120 0.000 1.902 372 A HA -0.198 4.121 4.320 -0.002 0.000 0.217 372 A C 2.415 179.957 177.584 -0.071 0.000 1.181 372 A CA 2.027 54.001 52.037 -0.104 0.000 0.623 372 A CB -0.613 18.359 19.000 -0.047 0.000 0.818 372 A HN 0.452 nan 8.150 nan 0.000 0.443 373 S N 0.564 116.207 115.700 -0.094 0.000 2.353 373 S HA -0.111 4.358 4.470 -0.002 0.000 0.222 373 S C 2.161 176.701 174.600 -0.100 0.000 1.035 373 S CA 1.796 59.941 58.200 -0.091 0.000 1.025 373 S CB -0.954 62.187 63.200 -0.098 0.000 0.902 373 S HN 1.040 nan 8.310 nan 0.000 0.440 374 A N 1.934 124.670 122.820 -0.140 0.000 1.883 374 A HA -0.049 4.270 4.320 -0.002 0.000 0.217 374 A C 2.513 180.004 177.584 -0.154 0.000 1.186 374 A CA 2.199 54.086 52.037 -0.249 0.000 0.624 374 A CB -1.438 17.286 19.000 -0.460 0.000 0.822 374 A HN 0.649 nan 8.150 nan 0.000 0.444 375 S N 0.229 115.871 115.700 -0.098 0.000 2.370 375 S HA -0.157 4.312 4.470 -0.002 0.000 0.226 375 S C 1.815 176.405 174.600 -0.018 0.000 1.033 375 S CA 1.572 59.741 58.200 -0.053 0.000 1.011 375 S CB -0.579 62.602 63.200 -0.032 0.000 0.852 375 S HN 0.503 nan 8.310 nan 0.000 0.457 376 L N 1.129 122.349 121.223 -0.005 0.000 2.042 376 L HA -0.109 4.231 4.340 -0.002 0.000 0.210 376 L C 2.402 179.282 176.870 0.016 0.000 1.076 376 L CA 0.948 55.797 54.840 0.015 0.000 0.749 376 L CB -0.785 41.284 42.059 0.017 0.000 0.893 376 L HN 0.225 nan 8.230 nan 0.000 0.432 377 V N -0.359 119.558 119.914 0.006 0.000 2.295 377 V HA -0.283 3.836 4.120 -0.002 0.000 0.246 377 V C 2.411 178.506 176.094 0.002 0.000 1.049 377 V CA 1.407 63.732 62.300 0.041 0.000 1.024 377 V CB -0.379 31.489 31.823 0.075 0.000 0.648 377 V HN 0.238 nan 8.190 nan 0.000 0.447 378 L N 0.466 121.665 121.223 -0.040 0.000 2.017 378 L HA -0.093 4.246 4.340 -0.002 0.000 0.208 378 L C 2.657 179.516 176.870 -0.019 0.000 1.073 378 L CA 2.247 57.060 54.840 -0.046 0.000 0.745 378 L CB -1.463 40.548 42.059 -0.079 0.000 0.894 378 L HN 0.287 nan 8.230 nan 0.000 0.432 379 A N -0.349 122.467 122.820 -0.006 0.000 1.892 379 A HA -0.212 4.107 4.320 -0.002 0.000 0.218 379 A C 2.449 180.040 177.584 0.012 0.000 1.188 379 A CA 1.968 54.010 52.037 0.008 0.000 0.631 379 A CB -1.506 17.507 19.000 0.022 0.000 0.822 379 A HN 0.460 nan 8.150 nan 0.000 0.447 380 G N -1.017 107.794 108.800 0.018 0.000 2.503 380 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.221 380 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.221 380 G C 1.559 176.465 174.900 0.011 0.000 1.131 380 G CA 1.393 46.506 45.100 0.021 0.000 0.756 380 G HN 0.558 nan 8.290 nan 0.000 0.572 381 C N 0.499 119.800 119.300 0.003 0.000 2.435 381 C HA 0.092 4.551 4.460 -0.002 0.000 0.279 381 C C 2.691 177.681 174.990 -0.001 0.000 1.321 381 C CA 0.817 59.833 59.018 -0.003 0.000 1.752 381 C CB -0.915 26.821 27.740 -0.007 0.000 1.959 381 C HN 0.667 nan 8.230 nan 0.000 0.500 382 I N -0.859 119.711 120.570 -0.000 0.000 3.854 382 I HA 0.357 4.526 4.170 -0.002 0.000 0.312 382 I C 1.240 177.360 176.117 0.005 0.000 1.273 382 I CA 0.006 61.307 61.300 0.001 0.000 1.298 382 I CB -0.493 37.506 38.000 -0.002 0.000 1.071 382 I HN 0.044 nan 8.210 nan 0.000 0.428 383 A N 2.076 124.901 122.820 0.008 0.000 2.429 383 A HA 0.237 4.556 4.320 -0.002 0.000 0.242 383 A C 0.155 177.745 177.584 0.009 0.000 1.088 383 A CA -0.051 51.992 52.037 0.011 0.000 0.784 383 A CB 0.099 19.108 19.000 0.015 0.000 1.038 383 A HN 0.419 nan 8.150 nan 0.000 0.501 384 E N 0.162 120.368 120.200 0.010 0.000 2.174 384 E HA 0.476 4.825 4.350 -0.002 0.000 0.282 384 E C 0.603 177.208 176.600 0.009 0.000 0.992 384 E CA 0.730 57.134 56.400 0.008 0.000 0.803 384 E CB 1.140 30.845 29.700 0.008 0.000 1.090 384 E HN 1.327 nan 8.360 nan 0.000 0.396 385 G N 3.049 111.853 108.800 0.007 0.000 2.482 385 G HA2 -0.208 3.752 3.960 -0.002 0.000 0.214 385 G HA3 -0.208 3.752 3.960 -0.002 0.000 0.214 385 G C -0.528 174.378 174.900 0.010 0.000 1.271 385 G CA -0.598 44.507 45.100 0.008 0.000 0.944 385 G HN 0.448 nan 8.290 nan 0.000 0.568 386 T N 1.256 115.818 114.554 0.013 0.000 2.771 386 T HA 0.659 5.008 4.350 -0.002 0.000 0.281 386 T C -0.114 174.600 174.700 0.022 0.000 0.982 386 T CA 0.230 62.340 62.100 0.017 0.000 0.978 386 T CB 1.566 70.444 68.868 0.017 0.000 0.930 386 T HN 0.741 nan 8.240 nan 0.000 0.447 387 T N 2.837 117.408 114.554 0.028 0.000 2.797 387 T HA 0.496 4.845 4.350 -0.002 0.000 0.279 387 T C -0.191 174.539 174.700 0.050 0.000 0.991 387 T CA -0.562 61.559 62.100 0.036 0.000 0.979 387 T CB 1.103 69.993 68.868 0.036 0.000 0.943 387 T HN 0.352 nan 8.240 nan 0.000 0.444 388 V N 4.176 124.121 119.914 0.051 0.000 2.347 388 V HA 0.350 4.469 4.120 -0.002 0.000 0.280 388 V C 0.007 176.139 176.094 0.063 0.000 1.021 388 V CA -0.829 61.511 62.300 0.066 0.000 0.847 388 V CB 1.344 33.200 31.823 0.056 0.000 0.990 388 V HN 0.720 nan 8.190 nan 0.000 0.444 389 V N 3.899 123.861 119.914 0.080 0.000 2.348 389 V HA 0.340 4.460 4.120 -0.002 0.000 0.270 389 V C 0.073 176.185 176.094 0.031 0.000 1.037 389 V CA -0.345 61.985 62.300 0.050 0.000 0.872 389 V CB 1.269 33.120 31.823 0.047 0.000 1.002 389 V HN 0.835 nan 8.190 nan 0.000 0.464 390 D N 3.518 123.937 120.400 0.031 0.000 2.294 390 D HA 0.448 5.087 4.640 -0.002 0.000 0.250 390 D C 0.571 176.896 176.300 0.043 0.000 1.058 390 D CA -0.512 53.512 54.000 0.039 0.000 0.950 390 D CB 0.863 41.694 40.800 0.053 0.000 1.158 390 D HN 0.402 nan 8.370 nan 0.000 0.453 391 R N 1.109 121.659 120.500 0.084 0.000 3.332 391 R HA -0.178 4.161 4.340 -0.002 0.000 0.263 391 R C 0.934 177.203 176.300 -0.051 0.000 1.053 391 R CA 0.074 56.268 56.100 0.157 0.000 0.705 391 R CB -2.185 28.250 30.300 0.224 0.000 1.166 391 R HN 0.434 nan 8.270 nan 0.000 0.427 392 I N 0.291 120.799 120.570 -0.104 0.000 2.756 392 I HA -0.212 3.958 4.170 -0.002 0.000 0.262 392 I C 2.015 177.977 176.117 -0.259 0.000 1.225 392 I CA 1.084 62.202 61.300 -0.303 0.000 1.472 392 I CB -0.195 37.419 38.000 -0.643 0.000 1.094 392 I HN 0.520 nan 8.210 nan 0.000 0.454 393 Y N -0.647 119.536 120.300 -0.194 0.000 2.283 393 Y HA -0.337 4.212 4.550 -0.001 0.000 0.285 393 Y C 2.233 178.025 175.900 -0.180 0.000 1.176 393 Y CA 1.894 59.881 58.100 -0.188 0.000 1.229 393 Y CB -1.862 36.475 38.460 -0.205 0.000 0.975 393 Y HN 0.323 nan 8.280 nan 0.000 0.537 394 H N 0.065 118.668 119.070 -0.778 0.000 2.319 394 H HA -0.152 4.403 4.556 -0.001 0.000 0.299 394 H C 2.285 177.494 175.328 -0.197 0.000 1.092 394 H CA 2.193 57.935 56.048 -0.510 0.000 1.302 394 H CB -0.268 29.203 29.762 -0.485 0.000 1.373 394 H HN 0.456 nan 8.280 nan 0.000 0.497 395 I N 0.626 121.168 120.570 -0.046 0.000 2.264 395 I HA -0.265 3.904 4.170 -0.002 0.000 0.248 395 I C 1.205 177.401 176.117 0.130 0.000 1.111 395 I CA 1.384 62.720 61.300 0.060 0.000 1.382 395 I CB 0.018 37.964 38.000 -0.089 0.000 1.060 395 I HN 0.289 nan 8.210 nan 0.000 0.418 396 D N 0.384 120.808 120.400 0.040 0.000 2.310 396 D HA -0.133 4.506 4.640 -0.002 0.000 0.212 396 D C 2.202 178.546 176.300 0.074 0.000 0.965 396 D CA 0.692 54.737 54.000 0.075 0.000 0.879 396 D CB -0.094 40.739 40.800 0.056 0.000 0.921 396 D HN 0.415 nan 8.370 nan 0.000 0.510 397 R N -0.279 120.255 120.500 0.056 0.000 2.075 397 R HA 0.005 4.344 4.340 -0.002 0.000 0.232 397 R C 1.984 178.294 176.300 0.017 0.000 1.126 397 R CA 1.352 57.475 56.100 0.039 0.000 0.963 397 R CB -0.038 30.280 30.300 0.029 0.000 0.858 397 R HN 0.120 nan 8.270 nan 0.000 0.435 398 G N -1.725 107.074 108.800 -0.002 0.000 3.342 398 G HA2 0.105 4.064 3.960 -0.002 0.000 0.252 398 G HA3 0.105 4.064 3.960 -0.002 0.000 0.252 398 G C -0.469 174.226 174.900 -0.341 0.000 1.011 398 G CA -0.255 44.752 45.100 -0.154 0.000 0.869 398 G HN 0.052 nan 8.290 nan 0.000 0.514 399 Y N 0.596 120.918 120.300 0.038 0.000 2.364 399 Y HA 0.469 5.018 4.550 -0.002 0.000 0.340 399 Y C -0.023 175.927 175.900 0.084 0.000 0.975 399 Y CA -1.351 56.787 58.100 0.065 0.000 1.089 399 Y CB 1.878 40.375 38.460 0.061 0.000 1.192 399 Y HN 0.091 nan 8.280 nan 0.000 0.454 400 E N 3.898 124.234 120.200 0.227 0.000 2.105 400 E HA 0.312 4.661 4.350 -0.002 0.000 0.285 400 E C -0.270 176.454 176.600 0.205 0.000 1.055 400 E CA -0.404 56.100 56.400 0.173 0.000 0.843 400 E CB 0.262 30.034 29.700 0.121 0.000 1.067 400 E HN 0.641 nan 8.360 nan 0.000 0.398 401 R N 3.708 124.318 120.500 0.183 0.000 3.322 401 R HA -0.232 4.107 4.340 -0.002 0.000 0.253 401 R C 1.023 177.444 176.300 0.202 0.000 0.987 401 R CA 0.647 56.847 56.100 0.166 0.000 0.666 401 R CB -1.798 28.571 30.300 0.114 0.000 1.072 401 R HN 0.844 nan 8.270 nan 0.000 0.447 402 I N 0.547 121.270 120.570 0.256 0.000 2.264 402 I HA -0.302 3.867 4.170 -0.002 0.000 0.248 402 I C 2.436 178.654 176.117 0.167 0.000 1.111 402 I CA 1.967 63.415 61.300 0.247 0.000 1.382 402 I CB -0.082 37.972 38.000 0.090 0.000 1.060 402 I HN 0.457 nan 8.210 nan 0.000 0.418 403 E N 0.765 121.034 120.200 0.114 0.000 2.085 403 E HA -0.279 4.070 4.350 -0.002 0.000 0.194 403 E C 1.548 178.118 176.600 -0.049 0.000 0.994 403 E CA 1.820 58.156 56.400 -0.106 0.000 0.801 403 E CB -0.122 29.419 29.700 -0.266 0.000 0.743 403 E HN 0.588 nan 8.360 nan 0.000 0.453 404 D N 0.327 120.737 120.400 0.016 0.000 2.123 404 D HA -0.113 4.526 4.640 -0.002 0.000 0.200 404 D C 1.944 178.254 176.300 0.016 0.000 0.976 404 D CA 0.823 54.828 54.000 0.008 0.000 0.831 404 D CB -0.018 40.796 40.800 0.024 0.000 0.974 404 D HN 0.207 nan 8.370 nan 0.000 0.469 405 K N 0.674 121.111 120.400 0.061 0.000 2.025 405 K HA -0.053 4.267 4.320 -0.002 0.000 0.207 405 K C 2.452 179.097 176.600 0.075 0.000 1.049 405 K CA 0.589 56.896 56.287 0.034 0.000 0.933 405 K CB -0.148 32.399 32.500 0.079 0.000 0.714 405 K HN 0.100 nan 8.250 nan 0.000 0.438 406 L N 0.533 121.861 121.223 0.175 0.000 2.046 406 L HA -0.173 4.166 4.340 -0.002 0.000 0.208 406 L C 2.694 179.581 176.870 0.029 0.000 1.077 406 L CA 1.165 56.086 54.840 0.134 0.000 0.747 406 L CB -0.416 41.697 42.059 0.090 0.000 0.896 406 L HN 0.163 nan 8.230 nan 0.000 0.432 407 R N 0.491 120.984 120.500 -0.011 0.000 2.117 407 R HA -0.196 4.143 4.340 -0.002 0.000 0.243 407 R C 2.235 178.520 176.300 -0.024 0.000 1.143 407 R CA 1.512 57.592 56.100 -0.033 0.000 0.968 407 R CB -0.264 30.006 30.300 -0.049 0.000 0.863 407 R HN 0.364 nan 8.270 nan 0.000 0.444 408 A N 0.226 123.032 122.820 -0.024 0.000 2.121 408 A HA -0.023 4.296 4.320 -0.002 0.000 0.218 408 A C 1.867 179.431 177.584 -0.034 0.000 1.154 408 A CA 0.815 52.831 52.037 -0.035 0.000 0.679 408 A CB -0.213 18.756 19.000 -0.051 0.000 0.795 408 A HN 0.355 nan 8.150 nan 0.000 0.458 409 L N -1.720 119.493 121.223 -0.018 0.000 2.591 409 L HA 0.220 4.560 4.340 -0.002 0.000 0.228 409 L C 1.606 178.473 176.870 -0.005 0.000 1.133 409 L CA 0.613 55.449 54.840 -0.007 0.000 0.880 409 L CB -0.011 42.066 42.059 0.030 0.000 1.033 409 L HN 0.560 nan 8.230 nan 0.000 0.450 410 G N -0.243 108.550 108.800 -0.011 0.000 2.184 410 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.206 410 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.206 410 G C 0.390 175.282 174.900 -0.015 0.000 0.995 410 G CA -0.166 44.926 45.100 -0.013 0.000 0.651 410 G HN 0.411 nan 8.290 nan 0.000 0.511 411 A N -0.052 122.760 122.820 -0.014 0.000 2.445 411 A HA 0.566 4.885 4.320 -0.002 0.000 0.242 411 A C 0.420 177.979 177.584 -0.041 0.000 1.075 411 A CA 0.780 52.803 52.037 -0.023 0.000 0.777 411 A CB 0.152 19.138 19.000 -0.023 0.000 1.013 411 A HN 0.742 nan 8.150 nan 0.000 0.493 412 N N 1.787 120.461 118.700 -0.042 0.000 2.678 412 N HA 0.479 5.218 4.740 -0.002 0.000 0.231 412 N C -1.148 174.317 175.510 -0.075 0.000 1.038 412 N CA -0.232 52.788 53.050 -0.050 0.000 0.932 412 N CB 0.018 38.486 38.487 -0.032 0.000 1.176 412 N HN 0.571 nan 8.380 nan 0.000 0.511 413 I N 1.660 122.157 120.570 -0.123 0.000 2.498 413 I HA 0.279 4.448 4.170 -0.002 0.000 0.290 413 I C -0.489 175.496 176.117 -0.221 0.000 1.032 413 I CA -0.771 60.401 61.300 -0.214 0.000 1.073 413 I CB 2.096 39.878 38.000 -0.363 0.000 1.251 413 I HN 0.466 nan 8.210 nan 0.000 0.426 414 E N 6.468 126.559 120.200 -0.180 0.000 2.210 414 E HA 0.369 4.718 4.350 -0.002 0.000 0.266 414 E C -0.848 175.711 176.600 -0.068 0.000 0.883 414 E CA -0.908 55.421 56.400 -0.119 0.000 0.761 414 E CB 2.013 31.689 29.700 -0.040 0.000 1.156 414 E HN 0.481 nan 8.360 nan 0.000 0.412 415 R N 3.350 123.841 120.500 -0.015 0.000 2.316 415 R HA 0.299 4.638 4.340 -0.002 0.000 0.314 415 R C -1.270 175.119 176.300 0.148 0.000 1.069 415 R CA -0.208 56.022 56.100 0.217 0.000 0.959 415 R CB 0.728 31.181 30.300 0.255 0.000 0.987 415 R HN 0.273 nan 8.270 nan 0.000 0.446 416 V N 5.670 125.683 119.914 0.166 0.000 2.531 416 V HA 0.146 4.265 4.120 -0.002 0.000 0.301 416 V C 0.787 176.933 176.094 0.087 0.000 1.034 416 V CA -0.641 61.719 62.300 0.100 0.000 0.865 416 V CB 1.730 33.606 31.823 0.089 0.000 0.995 416 V HN 0.858 nan 8.190 nan 0.000 0.424 417 K N 2.959 123.396 120.400 0.062 0.000 2.005 417 K HA 0.201 4.520 4.320 -0.002 0.000 0.206 417 K C 0.840 177.462 176.600 0.037 0.000 1.044 417 K CA 1.247 57.563 56.287 0.047 0.000 0.942 417 K CB 0.114 32.635 32.500 0.035 0.000 0.727 417 K HN 0.843 nan 8.250 nan 0.000 0.439 418 G N 0.000 108.819 108.800 0.032 0.000 5.446 418 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 418 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 418 G CA 0.000 45.116 45.100 0.026 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925