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 3iss_1_I 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 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.300 55.300 -0.000 0.000 0.988 1 M CB 0.000 32.615 32.600 0.025 0.000 1.302 2 D N 3.964 124.351 120.400 -0.023 0.000 2.341 2 D HA 0.491 5.131 4.640 -0.000 0.000 0.245 2 D C -0.278 175.954 176.300 -0.113 0.000 1.106 2 D CA 0.254 54.213 54.000 -0.068 0.000 0.905 2 D CB 1.350 42.088 40.800 -0.103 0.000 1.202 2 D HN 0.376 nan 8.370 nan 0.000 0.426 3 K N 0.719 121.046 120.400 -0.121 0.000 2.477 3 K HA 0.441 4.761 4.320 -0.000 0.000 0.255 3 K C -0.995 175.553 176.600 -0.086 0.000 0.952 3 K CA -0.835 55.380 56.287 -0.119 0.000 0.826 3 K CB 1.630 34.118 32.500 -0.020 0.000 1.331 3 K HN 0.122 nan 8.250 nan 0.000 0.437 4 F N 1.883 121.841 119.950 0.012 0.000 2.405 4 F HA 0.336 4.863 4.527 -0.000 0.000 0.355 4 F C 0.590 176.392 175.800 0.004 0.000 1.121 4 F CA -0.815 57.188 58.000 0.006 0.000 1.112 4 F CB 1.178 40.176 39.000 -0.003 0.000 1.126 4 F HN 0.313 nan 8.300 nan 0.000 0.481 5 R N 3.541 124.168 120.500 0.213 0.000 2.265 5 R HA 0.701 5.041 4.340 -0.000 0.000 0.319 5 R C -1.807 174.534 176.300 0.068 0.000 1.006 5 R CA -0.300 55.865 56.100 0.108 0.000 0.880 5 R CB 0.926 31.271 30.300 0.075 0.000 1.077 5 R HN 0.490 nan 8.270 nan 0.000 0.454 6 V N 4.459 124.396 119.914 0.040 0.000 2.604 6 V HA 0.344 4.464 4.120 -0.000 0.000 0.305 6 V C -0.594 175.499 176.094 -0.000 0.000 1.043 6 V CA -0.903 61.397 62.300 0.000 0.000 0.888 6 V CB 1.940 33.752 31.823 -0.019 0.000 0.995 6 V HN 0.750 nan 8.190 nan 0.000 0.429 7 Q N 2.357 122.151 119.800 -0.010 0.000 2.331 7 Q HA 0.725 5.065 4.340 -0.000 0.000 0.267 7 Q C -0.013 175.979 176.000 -0.013 0.000 1.006 7 Q CA -0.249 55.550 55.803 -0.007 0.000 0.818 7 Q CB 2.678 31.413 28.738 -0.005 0.000 1.276 7 Q HN 1.005 nan 8.270 nan 0.000 0.450 8 G N 2.285 111.079 108.800 -0.011 0.000 2.866 8 G HA2 0.687 4.647 3.960 -0.000 0.000 0.289 8 G HA3 0.687 4.647 3.960 -0.000 0.000 0.289 8 G C -2.901 171.994 174.900 -0.009 0.000 1.396 8 G CA -1.071 44.021 45.100 -0.013 0.000 0.848 8 G HN 0.291 nan 8.290 nan 0.000 0.515 9 P HA 0.426 nan 4.420 nan 0.000 0.276 9 P C -0.721 176.571 177.300 -0.014 0.000 1.244 9 P CA 0.063 63.155 63.100 -0.013 0.000 0.801 9 P CB 1.823 33.516 31.700 -0.011 0.000 1.006 10 T N -0.222 114.322 114.554 -0.017 0.000 3.041 10 T HA 0.304 4.654 4.350 -0.000 0.000 0.321 10 T C -1.252 173.438 174.700 -0.017 0.000 1.184 10 T CA -0.759 61.331 62.100 -0.017 0.000 1.050 10 T CB 0.934 69.789 68.868 -0.021 0.000 1.159 10 T HN 0.419 nan 8.240 nan 0.000 0.469 11 K N 5.260 125.651 120.400 -0.016 0.000 2.253 11 K HA 0.567 4.887 4.320 -0.000 0.000 0.277 11 K C -0.617 175.974 176.600 -0.016 0.000 1.053 11 K CA -0.620 55.658 56.287 -0.015 0.000 0.892 11 K CB 0.340 32.832 32.500 -0.013 0.000 1.102 11 K HN 0.509 nan 8.250 nan 0.000 0.469 12 L N 6.231 127.446 121.223 -0.014 0.000 2.278 12 L HA 0.240 4.580 4.340 -0.000 0.000 0.287 12 L C -0.082 176.781 176.870 -0.011 0.000 1.072 12 L CA -0.192 54.643 54.840 -0.008 0.000 0.819 12 L CB 0.511 42.574 42.059 0.007 0.000 1.176 12 L HN 0.753 nan 8.230 nan 0.000 0.435 13 Q N 2.664 122.452 119.800 -0.019 0.000 2.462 13 Q HA 0.880 5.220 4.340 -0.000 0.000 0.285 13 Q C -0.305 175.674 176.000 -0.037 0.000 1.035 13 Q CA -0.639 55.148 55.803 -0.026 0.000 0.799 13 Q CB 2.918 31.640 28.738 -0.027 0.000 1.452 13 Q HN 0.633 nan 8.270 nan 0.000 0.404 14 G N 0.842 109.616 108.800 -0.043 0.000 2.225 14 G HA2 0.076 4.036 3.960 -0.000 0.000 0.203 14 G HA3 0.076 4.036 3.960 -0.000 0.000 0.203 14 G C -1.569 173.293 174.900 -0.064 0.000 1.335 14 G CA -0.056 45.011 45.100 -0.055 0.000 1.183 14 G HN 1.073 nan 8.290 nan 0.000 0.488 15 E N -1.957 118.193 120.200 -0.082 0.000 2.433 15 E HA 0.780 5.130 4.350 -0.000 0.000 0.273 15 E C -1.527 174.986 176.600 -0.144 0.000 0.950 15 E CA -1.047 55.297 56.400 -0.094 0.000 0.796 15 E CB 2.711 32.362 29.700 -0.081 0.000 1.330 15 E HN 1.505 nan 8.360 nan 0.000 0.455 16 V N 0.343 120.159 119.914 -0.163 0.000 3.012 16 V HA 0.457 4.577 4.120 -0.000 0.000 0.307 16 V C -1.444 174.556 176.094 -0.156 0.000 1.166 16 V CA -0.309 61.840 62.300 -0.252 0.000 0.974 16 V CB 2.540 34.029 31.823 -0.556 0.000 1.040 16 V HN 0.884 nan 8.190 nan 0.000 0.428 17 T N 7.301 121.776 114.554 -0.132 0.000 2.749 17 T HA 0.526 4.876 4.350 -0.000 0.000 0.287 17 T C -0.193 174.487 174.700 -0.033 0.000 0.970 17 T CA -0.237 61.828 62.100 -0.058 0.000 0.980 17 T CB 0.595 69.441 68.868 -0.037 0.000 0.924 17 T HN 0.458 nan 8.240 nan 0.000 0.456 18 I N 3.302 123.880 120.570 0.014 0.000 2.496 18 I HA 0.165 4.335 4.170 -0.000 0.000 0.285 18 I C 1.167 177.317 176.117 0.055 0.000 1.080 18 I CA -0.063 61.275 61.300 0.062 0.000 1.404 18 I CB 0.332 38.380 38.000 0.080 0.000 1.403 18 I HN 0.562 nan 8.210 nan 0.000 0.539 19 S N 4.134 119.880 115.700 0.077 0.000 2.624 19 S HA 0.455 4.925 4.470 -0.000 0.000 0.263 19 S C 0.704 175.327 174.600 0.038 0.000 1.287 19 S CA -0.549 57.684 58.200 0.055 0.000 0.990 19 S CB 1.042 64.284 63.200 0.071 0.000 0.950 19 S HN 0.852 nan 8.310 nan 0.000 0.561 20 G N 0.154 108.966 108.800 0.020 0.000 2.544 20 G HA2 0.438 4.397 3.960 -0.000 0.000 0.242 20 G HA3 0.438 4.397 3.960 -0.000 0.000 0.242 20 G C -0.062 174.841 174.900 0.005 0.000 1.247 20 G CA -0.392 44.712 45.100 0.008 0.000 0.840 20 G HN 0.911 nan 8.290 nan 0.000 0.578 21 A N 1.589 124.409 122.820 0.000 0.000 2.476 21 A HA 0.229 4.549 4.320 -0.000 0.000 0.275 21 A C 1.682 179.259 177.584 -0.011 0.000 1.133 21 A CA 0.229 52.261 52.037 -0.008 0.000 0.797 21 A CB 0.184 19.178 19.000 -0.009 0.000 1.081 21 A HN 0.913 nan 8.150 nan 0.000 0.510 22 K N 2.508 122.894 120.400 -0.022 0.000 2.089 22 K HA -0.219 4.100 4.320 -0.000 0.000 0.210 22 K C 0.551 177.166 176.600 0.025 0.000 1.048 22 K CA 2.159 58.438 56.287 -0.013 0.000 0.926 22 K CB -0.091 32.379 32.500 -0.050 0.000 0.714 22 K HN 0.702 nan 8.250 nan 0.000 0.448 23 N N -0.218 118.500 118.700 0.029 0.000 2.383 23 N HA 0.054 4.794 4.740 -0.000 0.000 0.192 23 N C 0.679 176.223 175.510 0.057 0.000 1.141 23 N CA 0.661 53.764 53.050 0.088 0.000 0.851 23 N CB 0.705 39.245 38.487 0.090 0.000 0.976 23 N HN 0.345 nan 8.380 nan 0.000 0.465 24 A N 0.126 122.949 122.820 0.006 0.000 1.944 24 A HA 0.399 4.719 4.320 -0.000 0.000 0.207 24 A C 2.193 179.732 177.584 -0.075 0.000 1.265 24 A CA 0.831 52.846 52.037 -0.037 0.000 0.712 24 A CB -0.629 18.360 19.000 -0.018 0.000 0.915 24 A HN 0.174 nan 8.150 nan 0.000 0.470 25 A N 0.190 122.980 122.820 -0.050 0.000 1.884 25 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 25 A C 2.052 179.591 177.584 -0.076 0.000 1.197 25 A CA 2.019 54.009 52.037 -0.079 0.000 0.637 25 A CB -0.787 18.186 19.000 -0.046 0.000 0.827 25 A HN 0.408 nan 8.150 nan 0.000 0.450 26 L N -0.063 121.182 121.223 0.036 0.000 1.989 26 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 26 L C -0.438 176.548 176.870 0.192 0.000 1.071 26 L CA 2.662 57.617 54.840 0.192 0.000 0.749 26 L CB -1.342 40.965 42.059 0.413 0.000 0.890 26 L HN 0.240 nan 8.230 nan 0.000 0.431 27 P HA -0.116 nan 4.420 nan 0.000 0.218 27 P C 2.025 179.152 177.300 -0.289 0.000 1.149 27 P CA 1.407 64.186 63.100 -0.534 0.000 0.817 27 P CB 0.069 31.277 31.700 -0.820 0.000 0.785 28 I N -1.539 118.847 120.570 -0.307 0.000 2.233 28 I HA -0.191 3.979 4.170 -0.000 0.000 0.243 28 I C 1.986 177.838 176.117 -0.443 0.000 1.093 28 I CA 0.974 61.963 61.300 -0.519 0.000 1.380 28 I CB -0.614 36.948 38.000 -0.730 0.000 1.067 28 I HN -0.141 nan 8.210 nan 0.000 0.413 29 L N -0.062 120.961 121.223 -0.333 0.000 2.081 29 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 29 L C 2.123 178.812 176.870 -0.302 0.000 1.080 29 L CA 2.124 56.766 54.840 -0.330 0.000 0.754 29 L CB -0.830 40.991 42.059 -0.397 0.000 0.893 29 L HN 0.121 nan 8.230 nan 0.000 0.433 30 F N -1.391 118.528 119.950 -0.052 0.000 2.416 30 F HA 0.031 4.558 4.527 -0.000 0.000 0.296 30 F C 2.321 178.134 175.800 0.023 0.000 1.099 30 F CA 0.716 58.729 58.000 0.021 0.000 1.427 30 F CB -0.788 38.261 39.000 0.082 0.000 1.079 30 F HN 0.020 nan 8.300 nan 0.000 0.536 31 A N -0.002 122.892 122.820 0.124 0.000 2.066 31 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 31 A C 2.360 180.089 177.584 0.242 0.000 1.157 31 A CA 1.169 53.304 52.037 0.163 0.000 0.670 31 A CB -1.031 18.079 19.000 0.184 0.000 0.804 31 A HN 0.247 nan 8.150 nan 0.000 0.453 32 A N -0.034 122.913 122.820 0.211 0.000 2.076 32 A HA -0.049 4.271 4.320 -0.000 0.000 0.220 32 A C 1.939 179.623 177.584 0.167 0.000 1.160 32 A CA 1.256 53.428 52.037 0.225 0.000 0.653 32 A CB -0.594 18.481 19.000 0.125 0.000 0.801 32 A HN 0.495 nan 8.150 nan 0.000 0.455 33 L N -0.836 120.491 121.223 0.174 0.000 2.353 33 L HA -0.132 4.208 4.340 -0.000 0.000 0.220 33 L C 2.061 179.057 176.870 0.209 0.000 1.133 33 L CA 0.557 55.526 54.840 0.215 0.000 0.798 33 L CB -0.350 41.871 42.059 0.270 0.000 0.922 33 L HN 0.415 nan 8.230 nan 0.000 0.445 34 L N -0.573 120.737 121.223 0.145 0.000 2.341 34 L HA 0.097 4.437 4.340 -0.000 0.000 0.214 34 L C 1.418 178.306 176.870 0.029 0.000 1.115 34 L CA -0.304 54.576 54.840 0.068 0.000 0.820 34 L CB -0.293 41.791 42.059 0.041 0.000 0.944 34 L HN 0.128 nan 8.230 nan 0.000 0.452 35 A N 0.447 123.302 122.820 0.058 0.000 2.401 35 A HA 0.140 4.460 4.320 -0.000 0.000 0.259 35 A C 0.929 178.535 177.584 0.038 0.000 1.103 35 A CA -0.244 51.810 52.037 0.028 0.000 0.789 35 A CB 0.248 19.277 19.000 0.048 0.000 1.035 35 A HN 0.345 nan 8.150 nan 0.000 0.491 36 E N 1.325 121.531 120.200 0.010 0.000 2.415 36 E HA 0.034 4.384 4.350 -0.000 0.000 0.197 36 E C 0.414 177.030 176.600 0.027 0.000 1.007 36 E CA 0.096 56.508 56.400 0.019 0.000 0.890 36 E CB 0.488 30.186 29.700 -0.005 0.000 0.891 36 E HN 0.847 nan 8.360 nan 0.000 0.496 37 E N 1.345 121.558 120.200 0.021 0.000 2.254 37 E HA 0.237 4.587 4.350 -0.000 0.000 0.258 37 E C -2.384 174.245 176.600 0.048 0.000 1.033 37 E CA -2.415 54.002 56.400 0.029 0.000 0.893 37 E CB 1.139 30.849 29.700 0.017 0.000 1.204 37 E HN -0.259 nan 8.360 nan 0.000 0.425 38 P HA 0.012 nan 4.420 nan 0.000 0.276 38 P C -1.267 176.088 177.300 0.092 0.000 1.264 38 P CA -0.054 63.090 63.100 0.074 0.000 0.815 38 P CB 0.429 32.168 31.700 0.066 0.000 1.121 39 V N -1.503 118.488 119.914 0.129 0.000 3.121 39 V HA 0.335 4.455 4.120 -0.000 0.000 0.263 39 V C -2.016 174.170 176.094 0.153 0.000 1.795 39 V CA -0.503 61.885 62.300 0.145 0.000 0.979 39 V CB 2.040 33.961 31.823 0.163 0.000 1.335 39 V HN 0.654 nan 8.190 nan 0.000 0.462 40 E N 3.246 123.514 120.200 0.113 0.000 2.313 40 E HA 0.514 4.864 4.350 -0.000 0.000 0.280 40 E C -2.035 174.558 176.600 -0.011 0.000 0.898 40 E CA -0.585 55.788 56.400 -0.045 0.000 0.803 40 E CB 1.662 31.324 29.700 -0.062 0.000 1.286 40 E HN 0.570 nan 8.360 nan 0.000 0.401 41 I N 3.905 124.422 120.570 -0.088 0.000 2.321 41 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 41 I C 0.228 176.294 176.117 -0.085 0.000 0.998 41 I CA -0.104 61.165 61.300 -0.052 0.000 1.227 41 I CB 1.497 39.422 38.000 -0.125 0.000 1.368 41 I HN 0.436 nan 8.210 nan 0.000 0.466 42 Q N 3.975 123.749 119.800 -0.043 0.000 2.215 42 Q HA 0.378 4.717 4.340 -0.000 0.000 0.256 42 Q C 0.277 176.250 176.000 -0.046 0.000 0.972 42 Q CA -0.766 55.002 55.803 -0.057 0.000 0.889 42 Q CB 0.878 29.585 28.738 -0.052 0.000 1.281 42 Q HN 0.557 nan 8.270 nan 0.000 0.456 43 N N -0.289 118.387 118.700 -0.040 0.000 2.758 43 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 43 N C -1.749 173.747 175.510 -0.024 0.000 1.076 43 N CA 0.256 53.290 53.050 -0.028 0.000 0.696 43 N CB -0.967 37.502 38.487 -0.030 0.000 0.979 43 N HN 0.319 nan 8.380 nan 0.000 0.550 44 V N 1.929 121.825 119.914 -0.031 0.000 2.461 44 V HA 0.410 4.530 4.120 -0.000 0.000 0.275 44 V C -1.482 174.605 176.094 -0.013 0.000 1.047 44 V CA -1.071 61.211 62.300 -0.030 0.000 0.955 44 V CB 1.344 33.137 31.823 -0.049 0.000 0.988 44 V HN 0.198 nan 8.190 nan 0.000 0.471 45 P HA 0.147 nan 4.420 nan 0.000 0.271 45 P C -0.757 176.552 177.300 0.015 0.000 1.218 45 P CA -0.399 62.709 63.100 0.014 0.000 0.780 45 P CB 0.687 32.396 31.700 0.016 0.000 0.901 46 K N 3.192 123.610 120.400 0.029 0.000 2.183 46 K HA 0.362 4.682 4.320 -0.000 0.000 0.272 46 K C -0.139 176.487 176.600 0.043 0.000 1.113 46 K CA -0.113 56.192 56.287 0.031 0.000 0.949 46 K CB -0.084 32.436 32.500 0.034 0.000 1.365 46 K HN 0.454 nan 8.250 nan 0.000 0.420 47 L N 1.735 122.978 121.223 0.034 0.000 2.371 47 L HA 0.293 4.633 4.340 -0.000 0.000 0.262 47 L C 1.169 178.061 176.870 0.036 0.000 1.006 47 L CA -0.891 53.973 54.840 0.040 0.000 0.818 47 L CB 1.835 43.910 42.059 0.026 0.000 1.354 47 L HN 0.295 nan 8.230 nan 0.000 0.415 48 K N 0.662 121.089 120.400 0.045 0.000 2.147 48 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 48 K C 1.147 177.769 176.600 0.037 0.000 1.049 48 K CA 1.546 57.857 56.287 0.039 0.000 0.936 48 K CB 0.080 32.609 32.500 0.049 0.000 0.722 48 K HN 0.528 nan 8.250 nan 0.000 0.446 49 D N -0.692 119.733 120.400 0.041 0.000 2.178 49 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 49 D C 1.635 177.965 176.300 0.051 0.000 0.980 49 D CA 0.763 54.794 54.000 0.052 0.000 0.842 49 D CB 0.096 40.929 40.800 0.055 0.000 0.948 49 D HN -0.004 nan 8.370 nan 0.000 0.472 50 V N 1.004 120.934 119.914 0.026 0.000 2.379 50 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 50 V C 1.728 177.815 176.094 -0.011 0.000 1.044 50 V CA 1.469 63.768 62.300 -0.001 0.000 1.036 50 V CB -0.332 31.484 31.823 -0.012 0.000 0.664 50 V HN 0.081 nan 8.190 nan 0.000 0.453 51 D N 0.261 120.663 120.400 0.003 0.000 2.106 51 D HA -0.179 4.461 4.640 -0.000 0.000 0.191 51 D C 2.258 178.559 176.300 0.003 0.000 0.997 51 D CA 2.125 56.126 54.000 0.001 0.000 0.834 51 D CB -0.679 40.126 40.800 0.008 0.000 0.956 51 D HN 0.374 nan 8.370 nan 0.000 0.448 52 T N 0.324 114.890 114.554 0.020 0.000 2.720 52 T HA -0.119 4.230 4.350 -0.000 0.000 0.268 52 T C 2.186 176.915 174.700 0.049 0.000 1.037 52 T CA 1.509 63.631 62.100 0.037 0.000 1.144 52 T CB -0.285 68.614 68.868 0.052 0.000 0.864 52 T HN 0.050 nan 8.240 nan 0.000 0.444 53 S N 1.207 116.926 115.700 0.032 0.000 2.356 53 S HA -0.027 4.443 4.470 -0.000 0.000 0.223 53 S C 2.140 176.656 174.600 -0.140 0.000 1.032 53 S CA 1.181 59.342 58.200 -0.066 0.000 1.005 53 S CB -0.378 62.703 63.200 -0.198 0.000 0.867 53 S HN 0.431 nan 8.310 nan 0.000 0.449 54 M N 1.092 120.632 119.600 -0.099 0.000 2.086 54 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 54 M C 2.266 178.541 176.300 -0.042 0.000 1.067 54 M CA 1.608 56.860 55.300 -0.080 0.000 1.116 54 M CB -0.494 32.075 32.600 -0.052 0.000 1.348 54 M HN 0.194 nan 8.290 nan 0.000 0.407 55 K N 0.959 121.349 120.400 -0.017 0.000 2.074 55 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 55 K C 1.754 178.360 176.600 0.010 0.000 1.048 55 K CA 1.474 57.761 56.287 -0.001 0.000 0.926 55 K CB -0.417 32.088 32.500 0.008 0.000 0.713 55 K HN 0.186 nan 8.250 nan 0.000 0.444 56 L N 0.401 121.642 121.223 0.031 0.000 2.027 56 L HA -0.016 4.324 4.340 -0.000 0.000 0.206 56 L C 1.883 178.780 176.870 0.045 0.000 1.074 56 L CA 1.436 56.319 54.840 0.072 0.000 0.745 56 L CB -0.736 41.431 42.059 0.181 0.000 0.898 56 L HN 0.228 nan 8.230 nan 0.000 0.433 57 L N -0.364 120.855 121.223 -0.007 0.000 1.990 57 L HA -0.240 4.099 4.340 -0.000 0.000 0.213 57 L C 2.910 179.771 176.870 -0.016 0.000 1.072 57 L CA 2.194 57.020 54.840 -0.023 0.000 0.755 57 L CB -1.417 40.590 42.059 -0.088 0.000 0.889 57 L HN 0.527 nan 8.230 nan 0.000 0.432 58 S N -1.218 114.469 115.700 -0.021 0.000 2.365 58 S HA -0.336 4.134 4.470 -0.000 0.000 0.225 58 S C 2.085 176.668 174.600 -0.028 0.000 1.039 58 S CA 1.888 60.076 58.200 -0.021 0.000 1.033 58 S CB -0.309 62.881 63.200 -0.016 0.000 0.887 58 S HN 0.551 nan 8.310 nan 0.000 0.447 59 Q N -0.175 119.613 119.800 -0.020 0.000 2.234 59 Q HA -0.003 4.337 4.340 -0.000 0.000 0.206 59 Q C 1.941 177.906 176.000 -0.060 0.000 0.980 59 Q CA 1.392 57.178 55.803 -0.028 0.000 0.869 59 Q CB -0.175 28.561 28.738 -0.004 0.000 0.912 59 Q HN 0.618 nan 8.270 nan 0.000 0.436 60 L N -1.146 120.042 121.223 -0.058 0.000 2.554 60 L HA 0.128 4.468 4.340 -0.000 0.000 0.226 60 L C 0.796 177.562 176.870 -0.175 0.000 1.137 60 L CA 0.412 55.179 54.840 -0.122 0.000 0.863 60 L CB 0.115 42.136 42.059 -0.063 0.000 0.985 60 L HN 0.420 nan 8.230 nan 0.000 0.451 61 G N 0.629 109.364 108.800 -0.108 0.000 2.742 61 G HA2 0.023 3.983 3.960 -0.000 0.000 0.257 61 G HA3 0.023 3.983 3.960 -0.000 0.000 0.257 61 G C -0.225 174.643 174.900 -0.054 0.000 1.143 61 G CA -0.112 44.929 45.100 -0.098 0.000 1.064 61 G HN 0.459 nan 8.290 nan 0.000 0.529 62 A N 0.183 122.988 122.820 -0.026 0.000 2.430 62 A HA 0.951 5.271 4.320 -0.000 0.000 0.300 62 A C -0.094 177.492 177.584 0.003 0.000 1.124 62 A CA -0.843 51.196 52.037 0.004 0.000 0.766 62 A CB 1.475 20.483 19.000 0.014 0.000 1.328 62 A HN 0.423 nan 8.150 nan 0.000 0.424 63 K N 0.362 120.772 120.400 0.017 0.000 2.244 63 K HA 0.673 4.993 4.320 -0.000 0.000 0.260 63 K C -1.571 175.044 176.600 0.026 0.000 0.951 63 K CA -0.542 55.754 56.287 0.016 0.000 0.826 63 K CB 2.154 34.664 32.500 0.017 0.000 1.108 63 K HN 0.417 nan 8.250 nan 0.000 0.433 64 V N 2.272 122.199 119.914 0.022 0.000 2.777 64 V HA 0.340 4.460 4.120 -0.000 0.000 0.306 64 V C -1.165 174.950 176.094 0.036 0.000 1.112 64 V CA -0.995 61.323 62.300 0.029 0.000 0.917 64 V CB 1.911 33.734 31.823 -0.000 0.000 1.018 64 V HN 0.908 nan 8.190 nan 0.000 0.426 65 E N 3.594 123.836 120.200 0.070 0.000 2.433 65 E HA 0.924 5.274 4.350 -0.000 0.000 0.278 65 E C -0.895 175.770 176.600 0.109 0.000 0.976 65 E CA -1.358 55.084 56.400 0.070 0.000 0.793 65 E CB 2.659 32.393 29.700 0.056 0.000 1.311 65 E HN 0.801 nan 8.360 nan 0.000 0.460 66 R N -0.312 120.240 120.500 0.087 0.000 2.728 66 R HA 0.301 4.641 4.340 -0.000 0.000 0.274 66 R C -0.733 175.606 176.300 0.064 0.000 1.030 66 R CA -0.752 55.395 56.100 0.079 0.000 0.876 66 R CB 0.471 30.782 30.300 0.018 0.000 1.259 66 R HN 0.488 nan 8.270 nan 0.000 0.468 67 D N 0.661 121.092 120.400 0.051 0.000 1.573 67 D HA -0.258 4.382 4.640 -0.000 0.000 0.554 67 D C 1.127 177.448 176.300 0.035 0.000 1.438 67 D CA 1.966 55.992 54.000 0.043 0.000 1.425 67 D CB -0.560 40.255 40.800 0.025 0.000 2.307 67 D HN 0.747 nan 8.370 nan 0.000 0.680 68 G N -1.158 107.647 108.800 0.007 0.000 2.850 68 G HA2 0.204 4.164 3.960 -0.000 0.000 0.211 68 G HA3 0.204 4.164 3.960 -0.000 0.000 0.211 68 G C 0.189 175.071 174.900 -0.030 0.000 1.124 68 G CA 0.228 45.324 45.100 -0.006 0.000 0.769 68 G HN 0.402 nan 8.290 nan 0.000 0.535 69 S N -0.911 114.759 115.700 -0.049 0.000 2.677 69 S HA 0.764 5.234 4.470 -0.000 0.000 0.304 69 S C -1.192 173.312 174.600 -0.160 0.000 1.108 69 S CA -0.744 57.382 58.200 -0.123 0.000 0.944 69 S CB 2.579 65.673 63.200 -0.177 0.000 1.127 69 S HN -0.008 nan 8.310 nan 0.000 0.511 70 V N 1.971 121.745 119.914 -0.234 0.000 2.577 70 V HA 0.394 4.514 4.120 -0.000 0.000 0.303 70 V C -1.146 174.802 176.094 -0.243 0.000 1.042 70 V CA -0.585 61.611 62.300 -0.174 0.000 0.872 70 V CB 1.573 33.332 31.823 -0.106 0.000 0.998 70 V HN 0.859 nan 8.190 nan 0.000 0.423 71 H N 5.440 124.509 119.070 -0.001 0.000 2.488 71 H HA 0.601 5.157 4.556 -0.000 0.000 0.322 71 H C -0.769 174.562 175.328 0.006 0.000 1.078 71 H CA -0.211 55.843 56.048 0.011 0.000 1.260 71 H CB 2.004 31.774 29.762 0.012 0.000 1.425 71 H HN 0.454 nan 8.280 nan 0.000 0.471 72 I N 2.828 123.470 120.570 0.119 0.000 2.466 72 I HA 0.055 4.224 4.170 -0.000 0.000 0.289 72 I C -0.309 175.861 176.117 0.088 0.000 1.026 72 I CA -0.587 60.758 61.300 0.075 0.000 1.078 72 I CB 2.082 40.106 38.000 0.039 0.000 1.249 72 I HN 0.426 nan 8.210 nan 0.000 0.429 73 D N 5.715 126.158 120.400 0.071 0.000 2.453 73 D HA 0.483 5.123 4.640 -0.000 0.000 0.238 73 D C 0.062 176.401 176.300 0.066 0.000 1.088 73 D CA -0.326 53.713 54.000 0.066 0.000 0.854 73 D CB 1.921 42.752 40.800 0.051 0.000 1.076 73 D HN 0.623 nan 8.370 nan 0.000 0.533 74 A N 4.381 127.252 122.820 0.085 0.000 2.545 74 A HA 0.170 4.490 4.320 -0.000 0.000 0.277 74 A C 1.742 179.411 177.584 0.142 0.000 1.301 74 A CA -0.251 51.853 52.037 0.111 0.000 0.935 74 A CB 0.003 19.084 19.000 0.135 0.000 1.093 74 A HN 0.523 nan 8.150 nan 0.000 0.519 75 R N 0.108 120.672 120.500 0.107 0.000 2.075 75 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 75 R C 0.072 176.454 176.300 0.137 0.000 1.126 75 R CA 1.344 57.512 56.100 0.114 0.000 0.963 75 R CB -0.007 30.338 30.300 0.074 0.000 0.858 75 R HN 0.283 nan 8.270 nan 0.000 0.435 76 D N 0.364 120.820 120.400 0.093 0.000 2.395 76 D HA 0.065 4.705 4.640 -0.000 0.000 0.226 76 D C -0.457 175.857 176.300 0.023 0.000 1.146 76 D CA 0.070 54.108 54.000 0.064 0.000 0.830 76 D CB 0.317 41.135 40.800 0.029 0.000 0.958 76 D HN -0.122 nan 8.370 nan 0.000 0.501 77 V N 2.913 122.859 119.914 0.053 0.000 2.557 77 V HA -0.026 4.094 4.120 -0.000 0.000 0.301 77 V C 1.237 177.147 176.094 -0.307 0.000 1.026 77 V CA 0.526 62.758 62.300 -0.112 0.000 1.137 77 V CB 0.470 32.268 31.823 -0.042 0.000 0.917 77 V HN 0.347 nan 8.190 nan 0.000 0.484 78 N N 3.419 121.820 118.700 -0.499 0.000 2.036 78 N HA 0.069 4.809 4.740 -0.000 0.000 0.228 78 N C -0.511 174.376 175.510 -1.038 0.000 1.368 78 N CA -0.007 52.690 53.050 -0.588 0.000 0.846 78 N CB 0.896 39.246 38.487 -0.227 0.000 1.145 78 N HN 0.425 nan 8.380 nan 0.000 0.502 79 V N 0.718 119.984 119.914 -1.080 0.000 2.769 79 V HA 0.640 4.760 4.120 -0.000 0.000 0.312 79 V C -1.213 174.259 176.094 -1.036 0.000 1.061 79 V CA -0.761 60.952 62.300 -0.978 0.000 0.931 79 V CB 1.481 33.058 31.823 -0.411 0.000 1.010 79 V HN 0.025 nan 8.190 nan 0.000 0.433 80 F N 4.265 124.145 119.950 -0.116 0.000 2.814 80 F HA 0.482 5.009 4.527 -0.000 0.000 0.326 80 F C 0.185 175.970 175.800 -0.025 0.000 1.159 80 F CA -0.379 57.566 58.000 -0.091 0.000 1.234 80 F CB 0.651 39.592 39.000 -0.099 0.000 1.016 80 F HN 0.484 nan 8.300 nan 0.000 0.510 81 C N 1.764 121.101 119.300 0.063 0.000 2.441 81 C HA 0.871 5.330 4.460 -0.000 0.000 0.318 81 C C -0.026 175.020 174.990 0.093 0.000 1.222 81 C CA -0.448 58.612 59.018 0.070 0.000 1.474 81 C CB -0.053 27.675 27.740 -0.019 0.000 2.125 81 C HN 0.449 nan 8.230 nan 0.000 0.479 82 A N 8.655 131.566 122.820 0.152 0.000 2.294 82 A HA 0.693 5.013 4.320 -0.000 0.000 0.316 82 A C -2.452 175.276 177.584 0.239 0.000 1.359 82 A CA -1.088 51.043 52.037 0.156 0.000 0.956 82 A CB 0.125 19.201 19.000 0.126 0.000 1.155 82 A HN 0.799 nan 8.150 nan 0.000 0.544 83 P HA 0.016 nan 4.420 nan 0.000 0.274 83 P C 0.443 177.898 177.300 0.258 0.000 1.231 83 P CA -0.158 63.144 63.100 0.337 0.000 0.790 83 P CB 0.686 32.505 31.700 0.198 0.000 0.951 84 Y N 2.386 122.779 120.300 0.156 0.000 2.096 84 Y HA -0.351 4.199 4.550 -0.000 0.000 0.278 84 Y C 1.884 177.783 175.900 -0.002 0.000 1.192 84 Y CA 2.416 60.501 58.100 -0.027 0.000 1.143 84 Y CB -0.758 37.673 38.460 -0.048 0.000 0.963 84 Y HN 0.296 nan 8.280 nan 0.000 0.505 85 D N -0.139 120.340 120.400 0.131 0.000 2.182 85 D HA -0.175 4.465 4.640 -0.000 0.000 0.201 85 D C 2.079 178.341 176.300 -0.062 0.000 0.986 85 D CA 1.469 55.488 54.000 0.031 0.000 0.847 85 D CB -0.252 40.605 40.800 0.094 0.000 0.942 85 D HN 0.383 nan 8.370 nan 0.000 0.467 86 L N -0.300 120.904 121.223 -0.032 0.000 2.071 86 L HA -0.085 4.255 4.340 -0.000 0.000 0.201 86 L C 2.529 179.348 176.870 -0.085 0.000 1.076 86 L CA 0.548 55.369 54.840 -0.031 0.000 0.755 86 L CB -0.476 41.599 42.059 0.027 0.000 0.915 86 L HN -0.132 nan 8.230 nan 0.000 0.445 87 V N 0.907 120.757 119.914 -0.107 0.000 2.313 87 V HA -0.402 3.718 4.120 -0.000 0.000 0.253 87 V C 2.521 178.479 176.094 -0.227 0.000 1.070 87 V CA 2.427 64.632 62.300 -0.158 0.000 1.057 87 V CB -1.147 30.572 31.823 -0.174 0.000 0.653 87 V HN 0.643 nan 8.190 nan 0.000 0.450 88 K N 1.245 121.431 120.400 -0.358 0.000 2.209 88 K HA -0.198 4.122 4.320 -0.000 0.000 0.204 88 K C 1.833 178.313 176.600 -0.200 0.000 1.048 88 K CA 1.935 57.997 56.287 -0.376 0.000 0.940 88 K CB -0.620 31.508 32.500 -0.620 0.000 0.729 88 K HN 0.630 nan 8.250 nan 0.000 0.451 89 T N -2.146 112.321 114.554 -0.145 0.000 3.065 89 T HA 0.138 4.488 4.350 -0.000 0.000 0.252 89 T C 0.696 175.367 174.700 -0.047 0.000 1.099 89 T CA -0.191 61.864 62.100 -0.075 0.000 1.063 89 T CB 0.009 68.844 68.868 -0.054 0.000 0.948 89 T HN 0.285 nan 8.240 nan 0.000 0.506 90 M N 2.063 121.623 119.600 -0.067 0.000 2.380 90 M HA 0.317 4.797 4.480 -0.000 0.000 0.202 90 M C 0.533 176.769 176.300 -0.107 0.000 0.975 90 M CA -0.633 54.634 55.300 -0.055 0.000 0.971 90 M CB 1.255 33.857 32.600 0.004 0.000 2.685 90 M HN 0.153 nan 8.290 nan 0.000 0.431 91 R N 1.744 122.153 120.500 -0.151 0.000 2.293 91 R HA 0.036 4.376 4.340 -0.000 0.000 0.219 91 R C 1.042 177.156 176.300 -0.310 0.000 1.091 91 R CA 1.400 57.371 56.100 -0.215 0.000 1.004 91 R CB -0.403 29.771 30.300 -0.210 0.000 0.865 91 R HN 0.632 nan 8.270 nan 0.000 0.469 92 A N 1.213 123.852 122.820 -0.301 0.000 2.121 92 A HA -0.038 4.281 4.320 -0.000 0.000 0.218 92 A C 2.044 179.353 177.584 -0.458 0.000 1.154 92 A CA 1.139 52.889 52.037 -0.478 0.000 0.679 92 A CB -0.321 18.507 19.000 -0.287 0.000 0.795 92 A HN 0.408 nan 8.150 nan 0.000 0.458 93 S N -0.170 115.363 115.700 -0.279 0.000 2.423 93 S HA -0.222 4.248 4.470 -0.000 0.000 0.238 93 S C 1.681 176.055 174.600 -0.376 0.000 1.028 93 S CA 1.444 59.475 58.200 -0.282 0.000 1.000 93 S CB -0.495 62.662 63.200 -0.073 0.000 0.797 93 S HN 0.626 nan 8.310 nan 0.000 0.487 94 I N 0.794 121.148 120.570 -0.359 0.000 2.502 94 I HA -0.166 4.004 4.170 -0.000 0.000 0.258 94 I C 1.540 177.530 176.117 -0.211 0.000 1.172 94 I CA 1.003 62.121 61.300 -0.304 0.000 1.430 94 I CB -0.329 37.414 38.000 -0.428 0.000 1.086 94 I HN 0.385 nan 8.210 nan 0.000 0.440 95 W N 0.573 121.603 121.300 -0.451 0.000 2.525 95 W HA 0.010 4.670 4.660 -0.000 0.000 0.259 95 W C 2.484 178.825 176.519 -0.297 0.000 1.253 95 W CA 0.958 58.071 57.345 -0.386 0.000 1.262 95 W CB -1.117 28.036 29.460 -0.512 0.000 1.122 95 W HN 0.308 nan 8.180 nan 0.000 0.607 96 A N 0.004 122.741 122.820 -0.139 0.000 1.933 96 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 96 A C 1.978 179.661 177.584 0.165 0.000 1.175 96 A CA 1.428 53.545 52.037 0.134 0.000 0.628 96 A CB -0.876 18.236 19.000 0.186 0.000 0.814 96 A HN 0.150 nan 8.150 nan 0.000 0.444 97 L N 0.259 121.553 121.223 0.118 0.000 1.978 97 L HA -0.178 4.162 4.340 -0.000 0.000 0.218 97 L C 2.458 179.418 176.870 0.151 0.000 1.075 97 L CA 2.602 57.520 54.840 0.131 0.000 0.767 97 L CB -1.291 40.828 42.059 0.100 0.000 0.890 97 L HN 0.341 nan 8.230 nan 0.000 0.434 98 G N -0.887 108.010 108.800 0.162 0.000 2.545 98 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 98 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 98 G C -0.593 174.389 174.900 0.138 0.000 1.218 98 G CA 1.070 46.256 45.100 0.144 0.000 0.787 98 G HN 0.411 nan 8.290 nan 0.000 0.571 99 P HA -0.065 nan 4.420 nan 0.000 0.215 99 P C 2.175 179.607 177.300 0.221 0.000 1.157 99 P CA 0.777 63.979 63.100 0.170 0.000 0.868 99 P CB -0.168 31.658 31.700 0.209 0.000 0.788 100 L N -1.125 120.264 121.223 0.275 0.000 2.013 100 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 100 L C 2.336 179.369 176.870 0.271 0.000 1.073 100 L CA 1.602 56.663 54.840 0.368 0.000 0.753 100 L CB -1.168 41.076 42.059 0.308 0.000 0.890 100 L HN -0.105 nan 8.230 nan 0.000 0.432 101 V N -0.214 119.796 119.914 0.160 0.000 2.453 101 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 101 V C 2.688 178.818 176.094 0.059 0.000 1.048 101 V CA 1.557 63.911 62.300 0.091 0.000 1.049 101 V CB -0.772 31.094 31.823 0.073 0.000 0.672 101 V HN 0.458 nan 8.190 nan 0.000 0.457 102 A N 0.081 122.938 122.820 0.062 0.000 1.930 102 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 102 A C 2.426 179.986 177.584 -0.041 0.000 1.175 102 A CA 2.049 54.096 52.037 0.016 0.000 0.627 102 A CB -0.393 18.621 19.000 0.022 0.000 0.815 102 A HN 0.491 nan 8.150 nan 0.000 0.443 103 R N -2.382 118.078 120.500 -0.066 0.000 2.128 103 R HA 0.144 4.484 4.340 -0.000 0.000 0.211 103 R C 0.810 176.823 176.300 -0.479 0.000 1.067 103 R CA 0.898 56.812 56.100 -0.310 0.000 1.010 103 R CB -0.010 30.018 30.300 -0.453 0.000 0.922 103 R HN 0.455 nan 8.270 nan 0.000 0.457 104 F N -0.797 119.129 119.950 -0.041 0.000 2.682 104 F HA 0.401 4.928 4.527 -0.000 0.000 0.308 104 F C 1.339 177.010 175.800 -0.215 0.000 1.093 104 F CA 0.378 58.288 58.000 -0.150 0.000 1.244 104 F CB 1.387 40.209 39.000 -0.297 0.000 1.052 104 F HN 0.283 nan 8.300 nan 0.000 0.573 105 G N 0.990 109.788 108.800 -0.002 0.000 2.184 105 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 105 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 105 G C 0.107 174.975 174.900 -0.053 0.000 0.975 105 G CA 0.546 45.627 45.100 -0.032 0.000 0.642 105 G HN 0.511 nan 8.290 nan 0.000 0.536 106 Q N -1.558 118.186 119.800 -0.093 0.000 2.511 106 Q HA 0.716 5.056 4.340 -0.000 0.000 0.289 106 Q C -0.384 175.599 176.000 -0.029 0.000 1.021 106 Q CA -0.733 55.013 55.803 -0.096 0.000 0.785 106 Q CB 2.104 30.734 28.738 -0.180 0.000 1.472 106 Q HN 1.501 nan 8.270 nan 0.000 0.411 107 G N 0.867 109.690 108.800 0.039 0.000 2.716 107 G HA2 0.455 4.415 3.960 -0.000 0.000 0.299 107 G HA3 0.455 4.415 3.960 -0.000 0.000 0.299 107 G C -2.027 172.939 174.900 0.111 0.000 1.450 107 G CA -0.614 44.554 45.100 0.114 0.000 0.968 107 G HN 0.357 nan 8.290 nan 0.000 0.566 108 Q N 0.309 120.189 119.800 0.134 0.000 2.320 108 Q HA 0.634 4.974 4.340 -0.000 0.000 0.268 108 Q C -0.487 175.638 176.000 0.209 0.000 1.023 108 Q CA -0.612 55.276 55.803 0.141 0.000 0.744 108 Q CB 2.769 31.538 28.738 0.052 0.000 1.246 108 Q HN 0.485 nan 8.270 nan 0.000 0.462 109 V N 1.104 121.154 119.914 0.226 0.000 2.604 109 V HA 0.523 4.643 4.120 -0.000 0.000 0.305 109 V C -0.122 176.070 176.094 0.164 0.000 1.043 109 V CA -0.924 61.495 62.300 0.199 0.000 0.888 109 V CB 2.179 34.047 31.823 0.074 0.000 0.995 109 V HN 0.760 nan 8.190 nan 0.000 0.429 110 S N 4.647 120.373 115.700 0.043 0.000 2.533 110 S HA 0.218 4.688 4.470 -0.000 0.000 0.282 110 S C -0.149 174.341 174.600 -0.184 0.000 1.304 110 S CA -0.449 57.558 58.200 -0.322 0.000 1.063 110 S CB 0.185 63.167 63.200 -0.365 0.000 0.881 110 S HN 0.612 nan 8.310 nan 0.000 0.493 111 L N 7.175 128.294 121.223 -0.174 0.000 2.433 111 L HA 0.351 4.691 4.340 -0.000 0.000 0.275 111 L C -2.090 174.709 176.870 -0.118 0.000 1.128 111 L CA -1.357 53.413 54.840 -0.117 0.000 0.875 111 L CB 0.249 42.261 42.059 -0.078 0.000 1.171 111 L HN 0.562 nan 8.230 nan 0.000 0.463 112 P HA 0.151 nan 4.420 nan 0.000 0.268 112 P C 0.235 177.477 177.300 -0.095 0.000 1.204 112 P CA -0.137 62.879 63.100 -0.141 0.000 0.768 112 P CB 0.719 32.317 31.700 -0.169 0.000 0.842 113 G N 1.858 110.610 108.800 -0.081 0.000 2.624 113 G HA2 0.470 4.430 3.960 -0.000 0.000 0.217 113 G HA3 0.470 4.430 3.960 -0.000 0.000 0.217 113 G C 0.143 175.013 174.900 -0.051 0.000 1.506 113 G CA -0.309 44.765 45.100 -0.044 0.000 1.072 113 G HN 0.623 nan 8.290 nan 0.000 0.568 114 G N -2.084 106.695 108.800 -0.035 0.000 2.476 114 G HA2 0.431 4.391 3.960 -0.000 0.000 0.286 114 G HA3 0.431 4.391 3.960 -0.000 0.000 0.286 114 G C -0.757 174.112 174.900 -0.052 0.000 1.177 114 G CA -0.075 45.003 45.100 -0.037 0.000 0.870 114 G HN 0.730 nan 8.290 nan 0.000 0.528 115 C N 0.835 120.098 119.300 -0.062 0.000 2.707 115 C HA 0.642 5.102 4.460 -0.000 0.000 0.313 115 C C 2.038 176.979 174.990 -0.081 0.000 1.209 115 C CA 0.206 59.172 59.018 -0.085 0.000 1.635 115 C CB 1.019 28.680 27.740 -0.132 0.000 2.206 115 C HN 0.989 nan 8.230 nan 0.000 0.485 116 T N 1.357 115.860 114.554 -0.086 0.000 2.962 116 T HA -0.148 4.202 4.350 -0.000 0.000 0.270 116 T C 1.404 176.047 174.700 -0.095 0.000 1.088 116 T CA 1.748 63.803 62.100 -0.076 0.000 1.127 116 T CB -0.395 68.428 68.868 -0.074 0.000 0.883 116 T HN 0.862 nan 8.240 nan 0.000 0.493 117 I N -1.455 119.018 120.570 -0.161 0.000 3.419 117 I HA 0.537 4.707 4.170 -0.000 0.000 0.286 117 I C 0.957 177.003 176.117 -0.118 0.000 1.268 117 I CA 0.150 61.333 61.300 -0.195 0.000 1.414 117 I CB -0.406 37.362 38.000 -0.387 0.000 1.074 117 I HN 0.456 nan 8.210 nan 0.000 0.457 118 G N 1.046 109.801 108.800 -0.075 0.000 2.350 118 G HA2 0.347 4.307 3.960 -0.000 0.000 0.282 118 G HA3 0.347 4.307 3.960 -0.000 0.000 0.282 118 G C -1.160 173.758 174.900 0.029 0.000 1.314 118 G CA -0.408 44.702 45.100 0.018 0.000 0.915 118 G HN 0.477 nan 8.290 nan 0.000 0.499 119 A N 0.023 122.884 122.820 0.068 0.000 2.492 119 A HA 0.642 4.962 4.320 -0.000 0.000 0.254 119 A C 0.737 178.373 177.584 0.086 0.000 1.091 119 A CA 0.321 52.392 52.037 0.057 0.000 0.768 119 A CB 0.016 19.047 19.000 0.052 0.000 1.028 119 A HN 0.603 nan 8.150 nan 0.000 0.498 120 R N 3.109 123.637 120.500 0.046 0.000 2.701 120 R HA 0.209 4.549 4.340 -0.000 0.000 0.281 120 R C -2.639 173.667 176.300 0.010 0.000 1.367 120 R CA -1.103 55.029 56.100 0.054 0.000 1.510 120 R CB 0.627 30.937 30.300 0.018 0.000 1.306 120 R HN 0.661 nan 8.270 nan 0.000 0.682 121 P HA 0.014 nan 4.420 nan 0.000 0.269 121 P C 0.697 178.004 177.300 0.011 0.000 1.217 121 P CA 0.006 63.109 63.100 0.005 0.000 0.783 121 P CB 1.024 32.736 31.700 0.019 0.000 0.898 122 V N -2.419 117.491 119.914 -0.007 0.000 2.988 122 V HA 0.086 4.206 4.120 -0.000 0.000 0.356 122 V C 1.323 177.479 176.094 0.103 0.000 1.380 122 V CA 0.093 62.407 62.300 0.023 0.000 1.184 122 V CB -0.465 31.222 31.823 -0.226 0.000 1.204 122 V HN 0.532 nan 8.190 nan 0.000 0.530 123 D N 1.480 121.924 120.400 0.073 0.000 2.149 123 D HA -0.287 4.353 4.640 -0.000 0.000 0.194 123 D C 1.750 178.098 176.300 0.081 0.000 1.001 123 D CA 1.838 55.875 54.000 0.062 0.000 0.849 123 D CB -0.108 40.715 40.800 0.038 0.000 0.939 123 D HN 0.547 nan 8.370 nan 0.000 0.449 124 L N -0.011 121.268 121.223 0.095 0.000 2.141 124 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 124 L C 2.855 179.746 176.870 0.037 0.000 1.094 124 L CA 0.976 55.842 54.840 0.043 0.000 0.763 124 L CB -0.630 41.427 42.059 -0.003 0.000 0.908 124 L HN 0.136 nan 8.230 nan 0.000 0.437 125 H N 0.052 119.132 119.070 0.017 0.000 2.270 125 H HA -0.162 4.394 4.556 -0.000 0.000 0.299 125 H C 2.455 177.800 175.328 0.027 0.000 1.077 125 H CA 1.866 57.933 56.048 0.030 0.000 1.294 125 H CB -0.055 29.719 29.762 0.020 0.000 1.371 125 H HN 0.301 nan 8.280 nan 0.000 0.491 126 I N 0.421 121.091 120.570 0.166 0.000 2.127 126 I HA -0.309 3.861 4.170 -0.000 0.000 0.241 126 I C 2.953 179.108 176.117 0.065 0.000 1.075 126 I CA 1.407 62.763 61.300 0.093 0.000 1.334 126 I CB -0.351 37.687 38.000 0.064 0.000 1.040 126 I HN 0.178 nan 8.210 nan 0.000 0.405 127 S N 0.828 116.559 115.700 0.052 0.000 2.370 127 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 127 S C 2.126 176.740 174.600 0.023 0.000 1.033 127 S CA 1.737 59.956 58.200 0.030 0.000 1.011 127 S CB -0.791 62.420 63.200 0.020 0.000 0.852 127 S HN 0.569 nan 8.310 nan 0.000 0.457 128 G N 1.315 110.128 108.800 0.022 0.000 2.418 128 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.217 128 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.217 128 G C 1.463 176.377 174.900 0.024 0.000 1.158 128 G CA 0.895 46.002 45.100 0.011 0.000 0.771 128 G HN 0.529 nan 8.290 nan 0.000 0.545 129 L N -0.120 121.128 121.223 0.043 0.000 2.109 129 L HA 0.010 4.350 4.340 -0.000 0.000 0.207 129 L C 2.851 179.742 176.870 0.035 0.000 1.086 129 L CA 0.936 55.803 54.840 0.046 0.000 0.760 129 L CB -0.339 41.759 42.059 0.065 0.000 0.910 129 L HN 0.292 nan 8.230 nan 0.000 0.437 130 E N -0.285 119.934 120.200 0.032 0.000 2.106 130 E HA -0.272 4.078 4.350 -0.000 0.000 0.192 130 E C 2.122 178.733 176.600 0.019 0.000 0.984 130 E CA 0.877 57.293 56.400 0.025 0.000 0.806 130 E CB 0.017 29.732 29.700 0.024 0.000 0.750 130 E HN 0.453 nan 8.360 nan 0.000 0.458 131 Q N 0.152 119.963 119.800 0.017 0.000 2.297 131 Q HA -0.024 4.316 4.340 -0.000 0.000 0.204 131 Q C 1.577 177.587 176.000 0.016 0.000 0.962 131 Q CA 0.523 56.333 55.803 0.013 0.000 0.879 131 Q CB 0.253 28.994 28.738 0.005 0.000 0.947 131 Q HN 0.266 nan 8.270 nan 0.000 0.462 132 L N -1.123 120.110 121.223 0.018 0.000 2.627 132 L HA 0.178 4.518 4.340 -0.000 0.000 0.232 132 L C 0.913 177.793 176.870 0.016 0.000 1.150 132 L CA 0.502 55.352 54.840 0.018 0.000 0.917 132 L CB 0.229 42.300 42.059 0.020 0.000 1.104 132 L HN 0.462 nan 8.230 nan 0.000 0.445 133 G N -0.295 108.515 108.800 0.016 0.000 2.176 133 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.232 133 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.232 133 G C 0.411 175.320 174.900 0.014 0.000 0.986 133 G CA -0.040 45.068 45.100 0.013 0.000 0.643 133 G HN 0.464 nan 8.290 nan 0.000 0.522 134 A N 0.131 122.963 122.820 0.019 0.000 2.407 134 A HA 0.688 5.007 4.320 -0.000 0.000 0.248 134 A C 0.610 178.207 177.584 0.022 0.000 1.082 134 A CA 1.124 53.174 52.037 0.022 0.000 0.785 134 A CB 0.455 19.474 19.000 0.031 0.000 1.020 134 A HN 0.738 nan 8.150 nan 0.000 0.489 135 T N 2.458 117.024 114.554 0.020 0.000 2.795 135 T HA 0.567 4.917 4.350 -0.000 0.000 0.282 135 T C -0.286 174.430 174.700 0.026 0.000 0.980 135 T CA 0.140 62.253 62.100 0.020 0.000 1.012 135 T CB 0.258 69.135 68.868 0.015 0.000 0.936 135 T HN 0.414 nan 8.240 nan 0.000 0.457 136 I N 3.988 124.576 120.570 0.028 0.000 2.466 136 I HA 0.483 4.653 4.170 -0.000 0.000 0.289 136 I C -0.189 175.948 176.117 0.033 0.000 1.026 136 I CA -1.008 60.313 61.300 0.035 0.000 1.078 136 I CB 1.974 39.998 38.000 0.039 0.000 1.249 136 I HN 0.588 nan 8.210 nan 0.000 0.429 137 K N 5.581 126.003 120.400 0.038 0.000 2.443 137 K HA 0.764 5.083 4.320 -0.000 0.000 0.251 137 K C -1.747 174.882 176.600 0.049 0.000 0.972 137 K CA -0.964 55.345 56.287 0.037 0.000 0.833 137 K CB 2.761 35.281 32.500 0.032 0.000 1.317 137 K HN 0.382 nan 8.250 nan 0.000 0.441 138 L N 2.035 123.284 121.223 0.045 0.000 2.316 138 L HA 0.380 4.720 4.340 -0.000 0.000 0.280 138 L C -1.433 175.472 176.870 0.058 0.000 1.006 138 L CA 0.161 55.033 54.840 0.054 0.000 0.836 138 L CB 0.981 43.060 42.059 0.035 0.000 1.221 138 L HN 0.848 nan 8.230 nan 0.000 0.418 139 E N 2.949 123.202 120.200 0.088 0.000 2.292 139 E HA 0.432 4.782 4.350 -0.000 0.000 0.272 139 E C -0.711 175.972 176.600 0.139 0.000 0.881 139 E CA -0.742 55.709 56.400 0.084 0.000 0.754 139 E CB 1.294 31.032 29.700 0.062 0.000 1.201 139 E HN 0.577 nan 8.360 nan 0.000 0.425 140 E N 0.977 121.241 120.200 0.106 0.000 2.722 140 E HA -0.305 4.045 4.350 -0.000 0.000 0.265 140 E C 0.698 177.380 176.600 0.138 0.000 1.081 140 E CA 0.639 57.119 56.400 0.134 0.000 0.781 140 E CB -1.656 28.157 29.700 0.188 0.000 1.372 140 E HN 1.163 nan 8.360 nan 0.000 0.423 141 G N -1.118 107.710 108.800 0.048 0.000 2.179 141 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 141 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 141 G C -0.175 174.620 174.900 -0.174 0.000 0.977 141 G CA 0.604 45.660 45.100 -0.074 0.000 0.641 141 G HN 0.337 nan 8.290 nan 0.000 0.533 142 Y N -0.479 119.839 120.300 0.031 0.000 2.330 142 Y HA 0.502 5.052 4.550 -0.000 0.000 0.336 142 Y C 0.699 176.614 175.900 0.025 0.000 1.036 142 Y CA -0.416 57.705 58.100 0.034 0.000 1.125 142 Y CB 2.042 40.525 38.460 0.038 0.000 1.194 142 Y HN 0.339 nan 8.280 nan 0.000 0.469 143 V N 5.187 125.186 119.914 0.141 0.000 2.405 143 V HA 0.307 4.427 4.120 -0.000 0.000 0.264 143 V C -0.639 175.527 176.094 0.120 0.000 1.048 143 V CA -0.537 61.821 62.300 0.098 0.000 0.966 143 V CB -0.069 31.783 31.823 0.049 0.000 1.015 143 V HN 0.701 nan 8.190 nan 0.000 0.477 144 K N 6.317 126.777 120.400 0.100 0.000 2.293 144 K HA 0.756 5.076 4.320 -0.000 0.000 0.267 144 K C -0.254 176.381 176.600 0.060 0.000 1.010 144 K CA -0.224 56.113 56.287 0.083 0.000 0.875 144 K CB 1.919 34.461 32.500 0.068 0.000 1.106 144 K HN 0.882 nan 8.250 nan 0.000 0.450 145 A N 1.924 124.779 122.820 0.058 0.000 2.340 145 A HA 0.745 5.065 4.320 -0.000 0.000 0.331 145 A C -0.589 177.013 177.584 0.030 0.000 1.140 145 A CA -0.604 51.461 52.037 0.046 0.000 0.801 145 A CB 1.112 20.146 19.000 0.057 0.000 1.234 145 A HN 0.699 nan 8.150 nan 0.000 0.469 146 S N -0.384 115.328 115.700 0.020 0.000 2.547 146 S HA 0.703 5.173 4.470 -0.000 0.000 0.270 146 S C -1.370 173.233 174.600 0.005 0.000 1.150 146 S CA -0.579 57.623 58.200 0.004 0.000 0.850 146 S CB 1.234 64.433 63.200 -0.001 0.000 1.118 146 S HN 2.019 nan 8.310 nan 0.000 0.461 147 V N 1.147 121.059 119.914 -0.003 0.000 2.777 147 V HA 0.506 4.626 4.120 -0.000 0.000 0.306 147 V C -1.673 174.415 176.094 -0.009 0.000 1.112 147 V CA -0.545 61.754 62.300 -0.002 0.000 0.917 147 V CB 1.928 33.752 31.823 0.001 0.000 1.018 147 V HN 1.100 nan 8.190 nan 0.000 0.426 148 D N 5.030 125.426 120.400 -0.007 0.000 2.348 148 D HA 0.545 5.185 4.640 -0.000 0.000 0.259 148 D C 0.710 177.005 176.300 -0.010 0.000 1.296 148 D CA 2.238 56.233 54.000 -0.008 0.000 0.931 148 D CB 0.521 41.318 40.800 -0.005 0.000 1.067 148 D HN 1.308 nan 8.370 nan 0.000 0.503 149 G N 4.188 112.979 108.800 -0.015 0.000 2.545 149 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.240 149 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.240 149 G C -0.344 174.543 174.900 -0.022 0.000 1.172 149 G CA -0.054 45.035 45.100 -0.017 0.000 0.949 149 G HN 0.726 nan 8.290 nan 0.000 0.574 150 R N -0.270 120.218 120.500 -0.020 0.000 2.873 150 R HA 0.801 5.141 4.340 -0.000 0.000 0.264 150 R C 0.098 176.391 176.300 -0.011 0.000 1.026 150 R CA -1.072 55.015 56.100 -0.021 0.000 1.002 150 R CB 1.215 31.497 30.300 -0.029 0.000 1.174 150 R HN 0.515 nan 8.270 nan 0.000 0.488 151 L N 0.933 122.151 121.223 -0.008 0.000 2.476 151 L HA 0.258 4.597 4.340 -0.000 0.000 0.264 151 L C 0.333 177.203 176.870 -0.001 0.000 1.224 151 L CA -0.042 54.798 54.840 -0.000 0.000 0.821 151 L CB 0.203 42.265 42.059 0.006 0.000 1.101 151 L HN 0.432 nan 8.230 nan 0.000 0.488 152 K N 0.803 121.205 120.400 0.004 0.000 2.323 152 K HA 0.351 4.671 4.320 -0.000 0.000 0.259 152 K C -0.086 176.519 176.600 0.009 0.000 0.947 152 K CA -0.647 55.642 56.287 0.004 0.000 0.819 152 K CB 1.799 34.302 32.500 0.005 0.000 1.109 152 K HN 0.762 nan 8.250 nan 0.000 0.429 153 G N 1.445 110.249 108.800 0.008 0.000 2.349 153 G HA2 0.282 4.241 3.960 -0.000 0.000 0.232 153 G HA3 0.282 4.241 3.960 -0.000 0.000 0.232 153 G C -0.475 174.440 174.900 0.025 0.000 1.240 153 G CA 0.000 45.109 45.100 0.014 0.000 0.870 153 G HN 0.640 nan 8.290 nan 0.000 0.528 154 A N 1.580 124.423 122.820 0.039 0.000 2.609 154 A HA 0.643 4.963 4.320 -0.000 0.000 0.291 154 A C -0.783 176.867 177.584 0.110 0.000 1.096 154 A CA -0.703 51.370 52.037 0.060 0.000 0.684 154 A CB 1.132 20.157 19.000 0.042 0.000 1.282 154 A HN 0.927 nan 8.150 nan 0.000 0.412 155 H N 1.388 120.457 119.070 -0.002 0.000 2.761 155 H HA 0.540 5.096 4.556 -0.000 0.000 0.284 155 H C -1.074 174.253 175.328 -0.001 0.000 1.105 155 H CA -0.185 55.862 56.048 -0.002 0.000 1.352 155 H CB 0.139 29.900 29.762 -0.002 0.000 1.423 155 H HN 0.448 nan 8.280 nan 0.000 0.464 156 I N 6.412 126.902 120.570 -0.132 0.000 2.355 156 I HA 0.131 4.301 4.170 -0.000 0.000 0.288 156 I C -0.375 175.612 176.117 -0.216 0.000 0.999 156 I CA -0.898 60.313 61.300 -0.148 0.000 1.163 156 I CB 1.795 39.761 38.000 -0.058 0.000 1.316 156 I HN 0.265 nan 8.210 nan 0.000 0.454 157 V N 6.968 126.746 119.914 -0.225 0.000 2.333 157 V HA 0.318 4.438 4.120 -0.000 0.000 0.274 157 V C 0.533 176.568 176.094 -0.098 0.000 1.028 157 V CA -0.526 61.666 62.300 -0.181 0.000 0.851 157 V CB 1.207 32.917 31.823 -0.188 0.000 1.000 157 V HN 0.650 nan 8.190 nan 0.000 0.456 158 M N 3.063 122.619 119.600 -0.074 0.000 2.188 158 M HA 0.169 4.649 4.480 -0.000 0.000 0.354 158 M C 1.154 177.430 176.300 -0.040 0.000 1.342 158 M CA -0.032 55.237 55.300 -0.051 0.000 1.117 158 M CB 0.489 33.063 32.600 -0.045 0.000 1.670 158 M HN 0.609 nan 8.290 nan 0.000 0.466 159 D N 3.211 123.591 120.400 -0.032 0.000 2.104 159 D HA -0.102 4.538 4.640 -0.000 0.000 0.194 159 D C 0.354 176.641 176.300 -0.021 0.000 0.994 159 D CA 1.531 55.517 54.000 -0.023 0.000 0.830 159 D CB 0.536 41.326 40.800 -0.016 0.000 0.959 159 D HN 0.633 nan 8.370 nan 0.000 0.452 160 K N -1.145 119.242 120.400 -0.021 0.000 2.439 160 K HA 0.497 4.817 4.320 -0.000 0.000 0.260 160 K C -0.801 175.784 176.600 -0.025 0.000 1.032 160 K CA -0.899 55.375 56.287 -0.022 0.000 0.882 160 K CB 1.905 34.392 32.500 -0.021 0.000 1.420 160 K HN -0.337 nan 8.250 nan 0.000 0.455 161 V N 1.392 121.290 119.914 -0.027 0.000 2.488 161 V HA 0.239 4.358 4.120 -0.000 0.000 0.277 161 V C -0.348 175.730 176.094 -0.027 0.000 1.046 161 V CA 0.005 62.291 62.300 -0.024 0.000 0.986 161 V CB 0.838 32.649 31.823 -0.020 0.000 0.989 161 V HN 0.790 nan 8.190 nan 0.000 0.475 162 S N 4.027 119.716 115.700 -0.018 0.000 2.720 162 S HA 0.353 4.822 4.470 -0.000 0.000 0.278 162 S C 0.429 175.041 174.600 0.020 0.000 1.172 162 S CA -0.590 57.605 58.200 -0.008 0.000 1.019 162 S CB 1.812 64.999 63.200 -0.022 0.000 1.049 162 S HN 0.312 nan 8.310 nan 0.000 0.483 163 V N 5.329 125.279 119.914 0.060 0.000 2.295 163 V HA -0.038 4.082 4.120 -0.000 0.000 0.246 163 V C 2.684 178.911 176.094 0.221 0.000 1.049 163 V CA 2.650 65.025 62.300 0.124 0.000 1.024 163 V CB -1.225 30.691 31.823 0.154 0.000 0.648 163 V HN 0.943 nan 8.190 nan 0.000 0.447 164 G N -0.473 108.465 108.800 0.229 0.000 2.433 164 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 164 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 164 G C 1.770 176.738 174.900 0.113 0.000 1.186 164 G CA 1.087 46.406 45.100 0.365 0.000 0.779 164 G HN 0.614 nan 8.290 nan 0.000 0.543 165 A N 0.016 122.570 122.820 -0.443 0.000 1.930 165 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 165 A C 2.511 179.980 177.584 -0.192 0.000 1.175 165 A CA 2.378 54.003 52.037 -0.687 0.000 0.627 165 A CB -0.948 17.733 19.000 -0.532 0.000 0.815 165 A HN 0.296 nan 8.150 nan 0.000 0.443 166 T N -0.314 114.197 114.554 -0.071 0.000 2.699 166 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 166 T C 1.854 176.555 174.700 0.002 0.000 1.036 166 T CA 1.729 63.817 62.100 -0.021 0.000 1.147 166 T CB -0.405 68.464 68.868 0.002 0.000 0.862 166 T HN 0.152 nan 8.240 nan 0.000 0.446 167 V N 1.128 121.075 119.914 0.055 0.000 2.358 167 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 167 V C 2.771 178.865 176.094 -0.001 0.000 1.047 167 V CA 1.935 64.226 62.300 -0.016 0.000 1.035 167 V CB -0.991 30.752 31.823 -0.134 0.000 0.658 167 V HN 0.527 nan 8.190 nan 0.000 0.452 168 T N 0.391 115.030 114.554 0.141 0.000 2.652 168 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 168 T C 1.780 176.523 174.700 0.071 0.000 1.039 168 T CA 2.090 64.294 62.100 0.174 0.000 1.153 168 T CB -0.286 68.747 68.868 0.276 0.000 0.863 168 T HN 0.350 nan 8.240 nan 0.000 0.428 169 I N 0.668 121.252 120.570 0.024 0.000 2.202 169 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 169 I C 2.593 178.714 176.117 0.007 0.000 1.091 169 I CA 1.237 62.544 61.300 0.013 0.000 1.368 169 I CB -0.395 37.600 38.000 -0.008 0.000 1.058 169 I HN 0.253 nan 8.210 nan 0.000 0.410 170 M N 0.182 119.779 119.600 -0.005 0.000 2.082 170 M HA -0.290 4.190 4.480 -0.000 0.000 0.258 170 M C 2.502 178.794 176.300 -0.013 0.000 1.069 170 M CA 2.072 57.364 55.300 -0.013 0.000 1.102 170 M CB -0.244 32.341 32.600 -0.025 0.000 1.336 170 M HN 0.372 nan 8.290 nan 0.000 0.404 171 C N 0.380 119.671 119.300 -0.014 0.000 2.453 171 C HA -0.049 4.411 4.460 -0.000 0.000 0.277 171 C C 3.020 178.017 174.990 0.013 0.000 1.262 171 C CA 1.014 60.029 59.018 -0.006 0.000 1.718 171 C CB -1.517 26.217 27.740 -0.009 0.000 2.031 171 C HN 0.757 nan 8.230 nan 0.000 0.480 172 A N 0.497 123.333 122.820 0.027 0.000 1.933 172 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 172 A C 2.328 179.920 177.584 0.014 0.000 1.175 172 A CA 2.029 54.085 52.037 0.032 0.000 0.628 172 A CB -0.834 18.194 19.000 0.046 0.000 0.814 172 A HN 0.593 nan 8.150 nan 0.000 0.444 173 A N -0.146 122.679 122.820 0.008 0.000 2.015 173 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 173 A C 2.311 179.890 177.584 -0.009 0.000 1.163 173 A CA 2.214 54.252 52.037 0.001 0.000 0.646 173 A CB -1.381 17.621 19.000 0.003 0.000 0.806 173 A HN 0.820 nan 8.150 nan 0.000 0.448 174 T N -2.131 112.414 114.554 -0.014 0.000 2.946 174 T HA -0.008 4.342 4.350 -0.000 0.000 0.271 174 T C 1.062 175.743 174.700 -0.031 0.000 1.104 174 T CA 1.394 63.478 62.100 -0.027 0.000 1.114 174 T CB -0.352 68.494 68.868 -0.037 0.000 0.867 174 T HN 0.322 nan 8.240 nan 0.000 0.513 175 L N 0.453 121.660 121.223 -0.027 0.000 3.066 175 L HA 0.602 4.941 4.340 -0.000 0.000 0.265 175 L C 0.940 177.793 176.870 -0.028 0.000 1.232 175 L CA -0.660 54.159 54.840 -0.035 0.000 1.031 175 L CB -0.038 41.993 42.059 -0.047 0.000 1.379 175 L HN 0.278 nan 8.230 nan 0.000 0.563 176 A N -0.121 122.688 122.820 -0.019 0.000 2.248 176 A HA 0.477 4.797 4.320 -0.000 0.000 0.316 176 A C -0.077 177.499 177.584 -0.014 0.000 1.101 176 A CA -0.401 51.628 52.037 -0.013 0.000 0.875 176 A CB 0.568 19.565 19.000 -0.004 0.000 1.207 176 A HN 0.261 nan 8.150 nan 0.000 0.504 177 E N 0.083 120.277 120.200 -0.011 0.000 2.129 177 E HA 0.441 4.791 4.350 -0.000 0.000 0.283 177 E C 0.679 177.274 176.600 -0.007 0.000 1.080 177 E CA 0.957 57.351 56.400 -0.011 0.000 0.867 177 E CB 0.450 30.145 29.700 -0.009 0.000 1.056 177 E HN 1.236 nan 8.360 nan 0.000 0.404 178 G N 2.883 111.678 108.800 -0.009 0.000 2.508 178 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 178 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 178 G C -0.365 174.532 174.900 -0.006 0.000 1.287 178 G CA -0.632 44.464 45.100 -0.008 0.000 0.916 178 G HN 0.457 nan 8.290 nan 0.000 0.574 179 T N 1.394 115.946 114.554 -0.003 0.000 2.771 179 T HA 0.667 5.017 4.350 -0.000 0.000 0.281 179 T C 0.060 174.768 174.700 0.013 0.000 0.982 179 T CA 0.353 62.453 62.100 -0.000 0.000 0.978 179 T CB 1.425 70.289 68.868 -0.007 0.000 0.930 179 T HN 0.742 nan 8.240 nan 0.000 0.447 180 T N 3.981 118.546 114.554 0.018 0.000 2.824 180 T HA 0.626 4.976 4.350 -0.000 0.000 0.280 180 T C -0.155 174.576 174.700 0.051 0.000 0.995 180 T CA -0.495 61.626 62.100 0.036 0.000 1.009 180 T CB 0.609 69.491 68.868 0.024 0.000 0.955 180 T HN 0.411 nan 8.240 nan 0.000 0.452 181 I N 3.457 124.087 120.570 0.101 0.000 2.439 181 I HA 0.415 4.585 4.170 -0.000 0.000 0.285 181 I C -0.533 175.654 176.117 0.117 0.000 1.021 181 I CA -0.710 60.674 61.300 0.140 0.000 1.091 181 I CB 1.564 39.703 38.000 0.233 0.000 1.242 181 I HN 0.467 nan 8.210 nan 0.000 0.439 182 I N 6.131 126.733 120.570 0.053 0.000 2.297 182 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 182 I C 0.084 176.202 176.117 0.002 0.000 1.033 182 I CA -0.504 60.799 61.300 0.006 0.000 1.253 182 I CB 0.635 38.634 38.000 -0.001 0.000 1.396 182 I HN 0.454 nan 8.210 nan 0.000 0.476 183 E N 5.976 126.151 120.200 -0.042 0.000 2.231 183 E HA 0.159 4.509 4.350 -0.000 0.000 0.277 183 E C 0.076 176.655 176.600 -0.034 0.000 0.999 183 E CA -0.462 55.919 56.400 -0.032 0.000 0.827 183 E CB 1.491 31.147 29.700 -0.073 0.000 1.101 183 E HN 0.646 nan 8.360 nan 0.000 0.393 184 N N 0.456 119.147 118.700 -0.015 0.000 2.783 184 N HA -0.211 4.529 4.740 -0.000 0.000 0.247 184 N C -0.716 174.786 175.510 -0.012 0.000 1.089 184 N CA 0.169 53.211 53.050 -0.014 0.000 0.690 184 N CB -0.417 38.056 38.487 -0.023 0.000 0.991 184 N HN 0.550 nan 8.380 nan 0.000 0.552 185 A N 0.334 123.151 122.820 -0.005 0.000 2.332 185 A HA 0.679 4.999 4.320 -0.000 0.000 0.258 185 A C 0.770 178.358 177.584 0.008 0.000 1.087 185 A CA 0.366 52.402 52.037 -0.002 0.000 0.802 185 A CB 0.689 19.691 19.000 0.003 0.000 1.042 185 A HN 0.579 nan 8.150 nan 0.000 0.489 186 A N 0.485 123.312 122.820 0.012 0.000 2.388 186 A HA 0.513 4.833 4.320 -0.000 0.000 0.257 186 A C 0.703 178.311 177.584 0.039 0.000 1.095 186 A CA -0.346 51.707 52.037 0.027 0.000 0.791 186 A CB 0.085 19.104 19.000 0.031 0.000 1.029 186 A HN 0.771 nan 8.150 nan 0.000 0.489 187 R N 0.487 121.027 120.500 0.067 0.000 2.393 187 R HA 0.161 4.501 4.340 -0.000 0.000 0.244 187 R C -0.401 175.960 176.300 0.101 0.000 0.920 187 R CA -0.101 56.056 56.100 0.095 0.000 1.076 187 R CB 0.066 30.440 30.300 0.124 0.000 1.119 187 R HN 0.769 nan 8.270 nan 0.000 0.524 188 E N 1.254 121.474 120.200 0.032 0.000 2.534 188 E HA -0.074 4.276 4.350 -0.000 0.000 0.264 188 E C -1.589 174.904 176.600 -0.180 0.000 0.981 188 E CA -0.902 55.415 56.400 -0.138 0.000 0.948 188 E CB 0.386 30.046 29.700 -0.067 0.000 0.934 188 E HN -0.057 nan 8.360 nan 0.000 0.459 189 P HA -0.181 nan 4.420 nan 0.000 0.217 189 P C 0.320 177.567 177.300 -0.089 0.000 1.148 189 P CA 1.272 64.262 63.100 -0.183 0.000 0.828 189 P CB 0.278 31.848 31.700 -0.217 0.000 0.783 190 E N -1.089 119.059 120.200 -0.087 0.000 2.268 190 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 190 E C 1.927 178.498 176.600 -0.048 0.000 0.995 190 E CA 0.664 57.036 56.400 -0.047 0.000 0.836 190 E CB -0.737 28.947 29.700 -0.026 0.000 0.763 190 E HN 0.293 nan 8.360 nan 0.000 0.491 191 I N -0.197 120.348 120.570 -0.042 0.000 2.439 191 I HA -0.186 3.984 4.170 -0.000 0.000 0.251 191 I C 1.844 177.942 176.117 -0.032 0.000 1.139 191 I CA 0.507 61.783 61.300 -0.039 0.000 1.438 191 I CB -0.037 37.954 38.000 -0.015 0.000 1.085 191 I HN 0.030 nan 8.210 nan 0.000 0.427 192 V N 0.736 120.639 119.914 -0.018 0.000 2.307 192 V HA -0.306 3.814 4.120 -0.000 0.000 0.245 192 V C 2.143 178.248 176.094 0.017 0.000 1.045 192 V CA 2.155 64.457 62.300 0.003 0.000 1.024 192 V CB -0.559 31.272 31.823 0.012 0.000 0.651 192 V HN 0.368 nan 8.190 nan 0.000 0.449 193 D N -0.182 120.234 120.400 0.027 0.000 2.123 193 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 193 D C 2.275 178.554 176.300 -0.035 0.000 0.992 193 D CA 1.838 55.886 54.000 0.080 0.000 0.833 193 D CB -0.173 40.685 40.800 0.096 0.000 0.954 193 D HN 0.391 nan 8.370 nan 0.000 0.455 194 T N -0.334 114.177 114.554 -0.072 0.000 2.746 194 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 194 T C 1.909 176.575 174.700 -0.056 0.000 1.039 194 T CA 1.494 63.533 62.100 -0.100 0.000 1.142 194 T CB -0.424 68.360 68.868 -0.141 0.000 0.866 194 T HN 0.222 nan 8.240 nan 0.000 0.444 195 A N 2.288 125.077 122.820 -0.051 0.000 1.902 195 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 195 A C 2.230 179.778 177.584 -0.061 0.000 1.181 195 A CA 1.459 53.469 52.037 -0.045 0.000 0.623 195 A CB -0.586 18.398 19.000 -0.026 0.000 0.818 195 A HN 0.374 nan 8.150 nan 0.000 0.443 196 N N -1.001 117.671 118.700 -0.045 0.000 2.244 196 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 196 N C 1.330 176.722 175.510 -0.197 0.000 1.016 196 N CA 1.378 54.417 53.050 -0.017 0.000 0.866 196 N CB -0.574 38.013 38.487 0.167 0.000 0.980 196 N HN 0.591 nan 8.380 nan 0.000 0.430 197 F N 1.425 120.956 119.950 -0.698 0.000 2.146 197 F HA 0.031 4.558 4.527 -0.000 0.000 0.298 197 F C 1.955 177.546 175.800 -0.348 0.000 1.096 197 F CA 0.888 58.370 58.000 -0.863 0.000 1.275 197 F CB -0.338 38.108 39.000 -0.923 0.000 1.008 197 F HN -0.085 nan 8.300 nan 0.000 0.480 198 L N 0.101 121.123 121.223 -0.335 0.000 2.042 198 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 198 L C 2.533 179.237 176.870 -0.276 0.000 1.076 198 L CA 1.567 56.212 54.840 -0.325 0.000 0.749 198 L CB -0.705 41.277 42.059 -0.128 0.000 0.893 198 L HN 0.208 nan 8.230 nan 0.000 0.432 199 I N -0.611 119.849 120.570 -0.183 0.000 2.226 199 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 199 I C 2.442 178.479 176.117 -0.134 0.000 1.100 199 I CA 1.474 62.702 61.300 -0.120 0.000 1.374 199 I CB -0.410 37.554 38.000 -0.060 0.000 1.057 199 I HN 0.249 nan 8.210 nan 0.000 0.413 200 T N 1.151 115.606 114.554 -0.166 0.000 2.803 200 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 200 T C 1.724 176.310 174.700 -0.190 0.000 1.052 200 T CA 1.147 63.170 62.100 -0.129 0.000 1.136 200 T CB -0.199 68.631 68.868 -0.063 0.000 0.864 200 T HN 0.291 nan 8.240 nan 0.000 0.467 201 L N -0.140 120.894 121.223 -0.314 0.000 2.554 201 L HA 0.258 4.598 4.340 -0.000 0.000 0.226 201 L C 1.865 178.637 176.870 -0.163 0.000 1.137 201 L CA 0.490 55.168 54.840 -0.270 0.000 0.863 201 L CB -0.121 41.708 42.059 -0.383 0.000 0.985 201 L HN 0.487 nan 8.230 nan 0.000 0.451 202 G N -0.413 108.304 108.800 -0.138 0.000 2.159 202 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.170 202 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.170 202 G C 0.244 175.093 174.900 -0.085 0.000 1.007 202 G CA -0.199 44.846 45.100 -0.092 0.000 0.672 202 G HN 0.397 nan 8.290 nan 0.000 0.507 203 A N -0.013 122.745 122.820 -0.104 0.000 2.304 203 A HA 0.741 5.061 4.320 -0.000 0.000 0.271 203 A C 0.405 177.952 177.584 -0.061 0.000 1.091 203 A CA 0.036 52.023 52.037 -0.082 0.000 0.812 203 A CB 0.515 19.458 19.000 -0.095 0.000 1.056 203 A HN 0.333 nan 8.150 nan 0.000 0.489 204 K N 1.241 121.613 120.400 -0.046 0.000 2.473 204 K HA 0.553 4.873 4.320 -0.000 0.000 0.246 204 K C -1.478 175.105 176.600 -0.028 0.000 1.011 204 K CA 0.331 56.597 56.287 -0.034 0.000 0.984 204 K CB 0.938 33.421 32.500 -0.027 0.000 1.250 204 K HN 0.579 nan 8.250 nan 0.000 0.454 205 I N 1.551 122.105 120.570 -0.026 0.000 2.608 205 I HA 0.306 4.476 4.170 -0.000 0.000 0.295 205 I C -0.341 175.770 176.117 -0.012 0.000 1.049 205 I CA -0.663 60.625 61.300 -0.020 0.000 1.063 205 I CB 2.286 40.271 38.000 -0.025 0.000 1.248 205 I HN 0.511 nan 8.210 nan 0.000 0.424 206 S N 2.412 118.108 115.700 -0.006 0.000 2.546 206 S HA 0.823 5.293 4.470 -0.000 0.000 0.274 206 S C 0.183 174.786 174.600 0.004 0.000 1.121 206 S CA -0.017 58.183 58.200 -0.001 0.000 0.887 206 S CB 2.042 65.241 63.200 -0.001 0.000 1.094 206 S HN 1.300 nan 8.310 nan 0.000 0.474 207 G N 0.930 109.734 108.800 0.007 0.000 2.176 207 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.232 207 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.232 207 G C 0.112 175.020 174.900 0.013 0.000 0.986 207 G CA 0.014 45.120 45.100 0.011 0.000 0.643 207 G HN 1.279 nan 8.290 nan 0.000 0.522 208 Q N 0.462 120.268 119.800 0.010 0.000 2.283 208 Q HA 0.359 4.699 4.340 -0.000 0.000 0.301 208 Q C 1.183 177.195 176.000 0.020 0.000 1.063 208 Q CA 1.208 57.018 55.803 0.011 0.000 0.952 208 Q CB 0.676 29.417 28.738 0.006 0.000 1.166 208 Q HN 1.904 nan 8.270 nan 0.000 0.381 209 G N 2.115 110.931 108.800 0.026 0.000 2.194 209 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.236 209 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.236 209 G C 0.214 175.141 174.900 0.044 0.000 0.987 209 G CA 0.420 45.546 45.100 0.044 0.000 0.635 209 G HN 1.198 nan 8.290 nan 0.000 0.520 210 T N -2.080 112.493 114.554 0.030 0.000 2.927 210 T HA 0.563 4.913 4.350 -0.000 0.000 0.286 210 T C 1.002 175.716 174.700 0.022 0.000 1.040 210 T CA 0.643 62.758 62.100 0.025 0.000 1.010 210 T CB 1.769 70.648 68.868 0.019 0.000 1.177 210 T HN 0.197 nan 8.240 nan 0.000 0.546 211 D N -0.700 119.710 120.400 0.018 0.000 2.371 211 D HA -0.023 4.617 4.640 -0.000 0.000 0.221 211 D C 0.744 177.054 176.300 0.016 0.000 0.986 211 D CA 0.368 54.377 54.000 0.014 0.000 0.899 211 D CB -0.076 40.730 40.800 0.010 0.000 0.902 211 D HN 0.597 nan 8.370 nan 0.000 0.530 212 R N 0.396 120.908 120.500 0.020 0.000 2.409 212 R HA 0.523 4.863 4.340 -0.000 0.000 0.313 212 R C -1.210 175.103 176.300 0.023 0.000 0.953 212 R CA -0.579 55.538 56.100 0.027 0.000 0.849 212 R CB 0.714 31.035 30.300 0.035 0.000 1.171 212 R HN -0.020 nan 8.270 nan 0.000 0.458 213 I N 4.898 125.481 120.570 0.023 0.000 2.378 213 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 213 I C -0.567 175.563 176.117 0.021 0.000 0.992 213 I CA -1.216 60.093 61.300 0.016 0.000 1.154 213 I CB 2.082 40.086 38.000 0.008 0.000 1.315 213 I HN 0.287 nan 8.210 nan 0.000 0.448 214 V N 7.495 127.417 119.914 0.014 0.000 2.384 214 V HA 0.441 4.560 4.120 -0.000 0.000 0.287 214 V C -0.245 175.851 176.094 0.003 0.000 1.020 214 V CA -0.438 61.870 62.300 0.013 0.000 0.850 214 V CB 1.682 33.510 31.823 0.007 0.000 0.987 214 V HN 0.430 nan 8.190 nan 0.000 0.436 215 I N 3.968 124.540 120.570 0.003 0.000 2.389 215 I HA 0.438 4.608 4.170 -0.000 0.000 0.288 215 I C -0.133 175.980 176.117 -0.007 0.000 0.999 215 I CA -0.440 60.857 61.300 -0.005 0.000 1.129 215 I CB 1.874 39.871 38.000 -0.006 0.000 1.288 215 I HN 0.612 nan 8.210 nan 0.000 0.444 216 E N 4.625 124.817 120.200 -0.013 0.000 2.081 216 E HA 0.545 4.895 4.350 -0.000 0.000 0.276 216 E C 0.235 176.823 176.600 -0.019 0.000 0.950 216 E CA -0.479 55.912 56.400 -0.015 0.000 0.776 216 E CB 1.008 30.698 29.700 -0.016 0.000 1.094 216 E HN 0.757 nan 8.360 nan 0.000 0.402 217 G N 3.045 111.835 108.800 -0.017 0.000 2.353 217 G HA2 0.333 4.293 3.960 -0.000 0.000 0.239 217 G HA3 0.333 4.293 3.960 -0.000 0.000 0.239 217 G C -0.004 174.881 174.900 -0.026 0.000 1.295 217 G CA 0.183 45.270 45.100 -0.021 0.000 0.884 217 G HN 0.562 nan 8.290 nan 0.000 0.537 218 V N -0.045 119.850 119.914 -0.032 0.000 3.166 218 V HA 0.633 4.753 4.120 -0.000 0.000 0.317 218 V C 0.877 176.948 176.094 -0.038 0.000 1.136 218 V CA -0.648 61.631 62.300 -0.035 0.000 1.035 218 V CB 2.144 33.943 31.823 -0.040 0.000 1.110 218 V HN 0.666 nan 8.190 nan 0.000 0.450 219 E N 0.723 120.900 120.200 -0.039 0.000 2.474 219 E HA 0.166 4.516 4.350 -0.000 0.000 0.194 219 E C 0.512 177.080 176.600 -0.053 0.000 1.041 219 E CA 0.318 56.693 56.400 -0.043 0.000 0.874 219 E CB 0.361 30.039 29.700 -0.036 0.000 0.914 219 E HN 0.825 nan 8.360 nan 0.000 0.498 220 R N -1.493 118.974 120.500 -0.055 0.000 2.944 220 R HA 0.406 4.746 4.340 -0.000 0.000 0.270 220 R C -1.953 174.310 176.300 -0.063 0.000 0.989 220 R CA -0.735 55.327 56.100 -0.063 0.000 0.853 220 R CB 0.401 30.667 30.300 -0.056 0.000 1.430 220 R HN -0.005 nan 8.270 nan 0.000 0.450 221 L N -0.017 121.168 121.223 -0.064 0.000 2.505 221 L HA 0.580 4.920 4.340 -0.000 0.000 0.259 221 L C 0.120 176.952 176.870 -0.064 0.000 0.952 221 L CA -0.320 54.476 54.840 -0.073 0.000 0.840 221 L CB 2.547 44.552 42.059 -0.089 0.000 1.358 221 L HN 0.978 nan 8.230 nan 0.000 0.409 222 G N 0.423 109.179 108.800 -0.072 0.000 2.829 222 G HA2 0.706 4.666 3.960 -0.000 0.000 0.173 222 G HA3 0.706 4.666 3.960 -0.000 0.000 0.173 222 G C -0.101 174.768 174.900 -0.051 0.000 1.476 222 G CA 0.204 45.274 45.100 -0.051 0.000 1.072 222 G HN 0.771 nan 8.290 nan 0.000 0.577 223 G N -2.936 105.843 108.800 -0.035 0.000 3.211 223 G HA2 0.746 4.706 3.960 -0.000 0.000 0.262 223 G HA3 0.746 4.706 3.960 -0.000 0.000 0.262 223 G C -0.212 174.677 174.900 -0.019 0.000 1.352 223 G CA 0.051 45.144 45.100 -0.012 0.000 1.004 223 G HN 1.839 nan 8.290 nan 0.000 0.559 224 G N -2.705 106.115 108.800 0.033 0.000 2.352 224 G HA2 0.487 4.447 3.960 -0.000 0.000 0.283 224 G HA3 0.487 4.447 3.960 -0.000 0.000 0.283 224 G C -1.999 172.969 174.900 0.112 0.000 1.308 224 G CA 0.119 45.248 45.100 0.050 0.000 0.892 224 G HN 1.336 nan 8.290 nan 0.000 0.504 225 V N 0.308 120.298 119.914 0.128 0.000 2.656 225 V HA 0.771 4.891 4.120 -0.000 0.000 0.307 225 V C -1.277 174.960 176.094 0.238 0.000 1.051 225 V CA -0.573 61.819 62.300 0.153 0.000 0.893 225 V CB 1.679 33.554 31.823 0.087 0.000 0.999 225 V HN 0.987 nan 8.190 nan 0.000 0.426 226 Y N 3.806 124.172 120.300 0.110 0.000 2.479 226 Y HA 0.594 5.144 4.550 -0.000 0.000 0.338 226 Y C -0.332 175.595 175.900 0.046 0.000 1.055 226 Y CA -0.785 57.389 58.100 0.122 0.000 1.023 226 Y CB 1.712 40.357 38.460 0.309 0.000 1.287 226 Y HN 0.620 nan 8.280 nan 0.000 0.447 227 R N 4.983 125.191 120.500 -0.487 0.000 2.294 227 R HA 0.632 4.971 4.340 -0.000 0.000 0.319 227 R C -1.483 174.659 176.300 -0.263 0.000 0.984 227 R CA -0.564 55.365 56.100 -0.284 0.000 0.861 227 R CB 0.999 31.157 30.300 -0.238 0.000 1.104 227 R HN 0.598 nan 8.270 nan 0.000 0.451 228 V N 6.455 126.351 119.914 -0.030 0.000 2.715 228 V HA 0.068 4.188 4.120 -0.000 0.000 0.299 228 V C 0.959 177.054 176.094 0.001 0.000 1.054 228 V CA -0.333 61.996 62.300 0.049 0.000 1.077 228 V CB 0.875 32.713 31.823 0.025 0.000 0.972 228 V HN 0.695 nan 8.190 nan 0.000 0.484 229 L N 5.188 126.429 121.223 0.030 0.000 2.474 229 L HA 0.524 4.864 4.340 -0.000 0.000 0.259 229 L C -2.372 174.500 176.870 0.003 0.000 1.232 229 L CA -1.448 53.396 54.840 0.006 0.000 0.821 229 L CB -0.085 41.985 42.059 0.018 0.000 1.108 229 L HN 0.352 nan 8.230 nan 0.000 0.495 230 P HA 0.085 nan 4.420 nan 0.000 0.274 230 P C -1.312 175.996 177.300 0.013 0.000 1.237 230 P CA -0.186 62.922 63.100 0.014 0.000 0.793 230 P CB 0.437 32.150 31.700 0.021 0.000 0.977 231 D N 1.981 122.395 120.400 0.024 0.000 2.352 231 D HA 0.014 4.654 4.640 -0.000 0.000 0.245 231 D C 1.349 177.666 176.300 0.028 0.000 1.224 231 D CA -0.132 53.877 54.000 0.015 0.000 0.879 231 D CB 0.600 41.409 40.800 0.015 0.000 1.057 231 D HN 0.333 nan 8.370 nan 0.000 0.491 232 R N 3.792 124.295 120.500 0.004 0.000 2.120 232 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 232 R C 1.417 177.727 176.300 0.017 0.000 1.123 232 R CA 0.624 56.729 56.100 0.008 0.000 0.975 232 R CB -0.154 30.134 30.300 -0.020 0.000 0.866 232 R HN 0.354 nan 8.270 nan 0.000 0.446 233 I N 1.737 122.306 120.570 -0.001 0.000 2.353 233 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 233 I C 2.515 178.672 176.117 0.065 0.000 1.119 233 I CA 1.217 62.519 61.300 0.004 0.000 1.417 233 I CB -1.173 36.801 38.000 -0.042 0.000 1.078 233 I HN 0.353 nan 8.210 nan 0.000 0.421 234 E N 0.925 121.175 120.200 0.084 0.000 2.072 234 E HA -0.184 4.165 4.350 -0.000 0.000 0.191 234 E C 2.036 178.776 176.600 0.233 0.000 0.985 234 E CA 1.866 58.387 56.400 0.202 0.000 0.801 234 E CB 0.182 30.036 29.700 0.257 0.000 0.750 234 E HN 0.396 nan 8.360 nan 0.000 0.452 235 T N -0.132 114.539 114.554 0.195 0.000 2.652 235 T HA -0.164 4.185 4.350 -0.000 0.000 0.267 235 T C 1.762 176.561 174.700 0.166 0.000 1.039 235 T CA 1.368 63.589 62.100 0.200 0.000 1.153 235 T CB -0.760 68.183 68.868 0.124 0.000 0.863 235 T HN 0.410 nan 8.240 nan 0.000 0.428 236 G N 1.011 109.875 108.800 0.107 0.000 2.442 236 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 236 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 236 G C 1.717 176.652 174.900 0.059 0.000 1.141 236 G CA 1.490 46.650 45.100 0.099 0.000 0.763 236 G HN 0.477 nan 8.290 nan 0.000 0.554 237 T N 0.989 115.542 114.554 -0.001 0.000 2.746 237 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 237 T C 2.023 176.585 174.700 -0.230 0.000 1.039 237 T CA 1.072 63.075 62.100 -0.161 0.000 1.142 237 T CB -0.286 68.416 68.868 -0.276 0.000 0.866 237 T HN 0.223 nan 8.240 nan 0.000 0.444 238 F N 0.928 120.889 119.950 0.018 0.000 2.234 238 F HA 0.219 4.746 4.527 -0.000 0.000 0.296 238 F C 2.090 177.884 175.800 -0.011 0.000 1.089 238 F CA 0.176 58.172 58.000 -0.006 0.000 1.343 238 F CB -0.799 38.207 39.000 0.010 0.000 1.040 238 F HN 0.055 nan 8.300 nan 0.000 0.498 239 L N -0.747 120.579 121.223 0.171 0.000 2.043 239 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 239 L C 2.335 179.214 176.870 0.015 0.000 1.075 239 L CA 0.892 55.788 54.840 0.094 0.000 0.752 239 L CB -0.858 41.260 42.059 0.099 0.000 0.891 239 L HN -0.020 nan 8.230 nan 0.000 0.432 240 V N -0.293 119.595 119.914 -0.044 0.000 2.453 240 V HA -0.206 3.913 4.120 -0.000 0.000 0.247 240 V C 2.687 178.716 176.094 -0.107 0.000 1.048 240 V CA 1.503 63.710 62.300 -0.156 0.000 1.049 240 V CB -0.572 31.100 31.823 -0.253 0.000 0.672 240 V HN 0.466 nan 8.190 nan 0.000 0.457 241 A N 0.062 122.846 122.820 -0.059 0.000 1.940 241 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 241 A C 2.391 179.967 177.584 -0.012 0.000 1.176 241 A CA 2.184 54.201 52.037 -0.034 0.000 0.631 241 A CB -0.621 18.395 19.000 0.026 0.000 0.814 241 A HN 0.560 nan 8.150 nan 0.000 0.446 242 A N -0.265 122.560 122.820 0.008 0.000 1.872 242 A HA 0.264 4.584 4.320 -0.000 0.000 0.214 242 A C 2.509 180.077 177.584 -0.026 0.000 1.187 242 A CA 1.797 53.833 52.037 -0.001 0.000 0.614 242 A CB -1.093 17.914 19.000 0.012 0.000 0.826 242 A HN 1.095 nan 8.150 nan 0.000 0.442 243 A N 0.499 123.296 122.820 -0.039 0.000 2.024 243 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 243 A C 2.063 179.614 177.584 -0.055 0.000 1.164 243 A CA 1.609 53.616 52.037 -0.051 0.000 0.643 243 A CB -0.828 18.128 19.000 -0.073 0.000 0.806 243 A HN 0.988 nan 8.150 nan 0.000 0.451 244 I N -2.884 117.647 120.570 -0.065 0.000 3.030 244 I HA 0.033 4.203 4.170 -0.000 0.000 0.270 244 I C 1.683 177.777 176.117 -0.038 0.000 1.211 244 I CA 1.293 62.558 61.300 -0.058 0.000 1.479 244 I CB -0.045 37.911 38.000 -0.073 0.000 1.105 244 I HN 0.225 nan 8.210 nan 0.000 0.447 245 S N 0.631 116.311 115.700 -0.033 0.000 2.577 245 S HA 0.295 4.765 4.470 -0.000 0.000 0.219 245 S C 0.802 175.391 174.600 -0.019 0.000 0.962 245 S CA -0.546 57.639 58.200 -0.024 0.000 0.921 245 S CB -0.291 62.896 63.200 -0.022 0.000 0.789 245 S HN 0.548 nan 8.310 nan 0.000 0.497 246 R N 0.299 120.788 120.500 -0.019 0.000 3.261 246 R HA -0.121 4.219 4.340 -0.000 0.000 0.257 246 R C 0.506 176.795 176.300 -0.019 0.000 1.014 246 R CA 0.371 56.463 56.100 -0.014 0.000 0.681 246 R CB -2.083 28.215 30.300 -0.004 0.000 1.155 246 R HN 0.677 nan 8.270 nan 0.000 0.424 247 G N 0.116 108.899 108.800 -0.029 0.000 3.183 247 G HA2 0.726 4.686 3.960 -0.000 0.000 0.247 247 G HA3 0.726 4.686 3.960 -0.000 0.000 0.247 247 G C -1.227 173.642 174.900 -0.052 0.000 1.211 247 G CA -0.628 44.451 45.100 -0.034 0.000 0.835 247 G HN 0.098 nan 8.290 nan 0.000 0.604 248 K N -0.767 119.607 120.400 -0.044 0.000 2.543 248 K HA 0.619 4.939 4.320 -0.000 0.000 0.255 248 K C -1.513 175.070 176.600 -0.030 0.000 0.934 248 K CA -0.695 55.561 56.287 -0.052 0.000 0.810 248 K CB 2.643 35.103 32.500 -0.068 0.000 1.315 248 K HN 0.989 nan 8.250 nan 0.000 0.433 249 I N -0.182 120.380 120.570 -0.014 0.000 3.021 249 I HA 0.504 4.674 4.170 -0.000 0.000 0.305 249 I C -1.934 174.193 176.117 0.017 0.000 1.434 249 I CA -1.139 60.157 61.300 -0.008 0.000 0.969 249 I CB 2.035 40.031 38.000 -0.006 0.000 1.328 249 I HN 0.653 nan 8.210 nan 0.000 0.486 250 I N 3.145 123.716 120.570 0.002 0.000 2.406 250 I HA 0.407 4.577 4.170 -0.000 0.000 0.290 250 I C -0.443 175.696 176.117 0.037 0.000 0.999 250 I CA -0.417 60.904 61.300 0.035 0.000 1.124 250 I CB 1.411 39.387 38.000 -0.039 0.000 1.289 250 I HN 0.526 nan 8.210 nan 0.000 0.441 251 C N 6.315 125.678 119.300 0.106 0.000 2.273 251 C HA 0.534 4.994 4.460 -0.000 0.000 0.328 251 C C 0.649 175.716 174.990 0.128 0.000 1.275 251 C CA -0.749 58.321 59.018 0.085 0.000 1.704 251 C CB 0.522 28.328 27.740 0.110 0.000 2.326 251 C HN 0.610 nan 8.230 nan 0.000 0.517 252 R N 2.630 123.172 120.500 0.070 0.000 2.598 252 R HA 0.329 4.669 4.340 -0.000 0.000 0.279 252 R C 0.074 176.417 176.300 0.071 0.000 0.984 252 R CA -0.436 55.716 56.100 0.086 0.000 0.999 252 R CB 0.497 30.815 30.300 0.029 0.000 1.114 252 R HN 0.796 nan 8.270 nan 0.000 0.493 253 N N -0.977 117.771 118.700 0.081 0.000 2.756 253 N HA -0.183 4.557 4.740 -0.000 0.000 0.248 253 N C -1.040 174.501 175.510 0.053 0.000 1.062 253 N CA 1.107 54.190 53.050 0.055 0.000 0.696 253 N CB -1.009 37.497 38.487 0.032 0.000 0.946 253 N HN 0.750 nan 8.380 nan 0.000 0.548 254 A N -0.100 122.760 122.820 0.065 0.000 2.282 254 A HA 0.739 5.059 4.320 -0.000 0.000 0.324 254 A C 0.252 177.844 177.584 0.014 0.000 1.119 254 A CA -0.429 51.636 52.037 0.047 0.000 0.880 254 A CB 1.231 20.267 19.000 0.061 0.000 1.294 254 A HN 0.228 nan 8.150 nan 0.000 0.493 255 Q N 0.286 120.088 119.800 0.003 0.000 3.090 255 Q HA 0.319 4.659 4.340 -0.000 0.000 0.241 255 Q C -2.321 173.666 176.000 -0.021 0.000 0.958 255 Q CA -1.693 54.102 55.803 -0.015 0.000 0.715 255 Q CB 1.186 29.919 28.738 -0.008 0.000 1.298 255 Q HN 0.414 nan 8.270 nan 0.000 0.468 256 P HA -0.201 nan 4.420 nan 0.000 0.216 256 P C 0.556 177.840 177.300 -0.027 0.000 1.150 256 P CA 1.563 64.632 63.100 -0.052 0.000 0.843 256 P CB 0.156 31.787 31.700 -0.115 0.000 0.787 257 D N -2.256 118.131 120.400 -0.023 0.000 2.403 257 D HA -0.099 4.541 4.640 -0.000 0.000 0.227 257 D C 1.230 177.553 176.300 0.039 0.000 0.995 257 D CA 1.110 55.110 54.000 0.000 0.000 0.928 257 D CB -1.415 39.385 40.800 -0.000 0.000 0.887 257 D HN 0.076 nan 8.370 nan 0.000 0.529 258 T N -0.540 114.035 114.554 0.035 0.000 3.065 258 T HA 0.237 4.587 4.350 -0.000 0.000 0.252 258 T C 1.045 175.798 174.700 0.088 0.000 1.099 258 T CA 0.038 62.173 62.100 0.059 0.000 1.063 258 T CB 0.099 68.969 68.868 0.004 0.000 0.948 258 T HN 0.157 nan 8.240 nan 0.000 0.506 259 L N 0.564 121.817 121.223 0.050 0.000 3.288 259 L HA 0.291 4.631 4.340 -0.000 0.000 0.293 259 L C 0.819 177.699 176.870 0.016 0.000 1.294 259 L CA -0.223 54.634 54.840 0.029 0.000 1.006 259 L CB 0.627 42.699 42.059 0.022 0.000 1.407 259 L HN -0.041 nan 8.230 nan 0.000 0.592 260 D N 1.539 121.947 120.400 0.014 0.000 2.103 260 D HA -0.220 4.419 4.640 -0.000 0.000 0.190 260 D C 2.159 178.458 176.300 -0.001 0.000 0.997 260 D CA 1.830 55.828 54.000 -0.003 0.000 0.833 260 D CB 0.183 40.970 40.800 -0.021 0.000 0.961 260 D HN 0.387 nan 8.370 nan 0.000 0.447 261 A N 0.642 123.451 122.820 -0.017 0.000 1.883 261 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 261 A C 2.606 180.213 177.584 0.037 0.000 1.186 261 A CA 1.697 53.739 52.037 0.008 0.000 0.624 261 A CB -0.893 18.110 19.000 0.005 0.000 0.822 261 A HN 0.169 nan 8.150 nan 0.000 0.444 262 V N 0.082 119.980 119.914 -0.025 0.000 2.343 262 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 262 V C 2.558 178.739 176.094 0.146 0.000 1.051 262 V CA 1.909 64.215 62.300 0.009 0.000 1.036 262 V CB -0.674 31.124 31.823 -0.040 0.000 0.654 262 V HN 0.564 nan 8.190 nan 0.000 0.451 263 L N -0.073 121.206 121.223 0.094 0.000 2.056 263 L HA -0.110 4.229 4.340 -0.000 0.000 0.207 263 L C 2.758 179.687 176.870 0.098 0.000 1.078 263 L CA 1.430 56.330 54.840 0.100 0.000 0.749 263 L CB -0.876 41.216 42.059 0.054 0.000 0.901 263 L HN 0.356 nan 8.230 nan 0.000 0.433 264 A N 0.122 122.983 122.820 0.069 0.000 1.908 264 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 264 A C 2.294 179.924 177.584 0.077 0.000 1.181 264 A CA 1.937 54.008 52.037 0.056 0.000 0.627 264 A CB -0.361 18.657 19.000 0.030 0.000 0.818 264 A HN 0.177 nan 8.150 nan 0.000 0.445 265 K N -0.382 120.080 120.400 0.103 0.000 2.103 265 K HA 0.129 4.449 4.320 -0.000 0.000 0.204 265 K C 1.749 178.500 176.600 0.252 0.000 1.052 265 K CA 0.852 57.210 56.287 0.119 0.000 0.945 265 K CB -0.431 32.071 32.500 0.004 0.000 0.722 265 K HN 0.504 nan 8.250 nan 0.000 0.443 266 L N -0.006 121.400 121.223 0.305 0.000 2.093 266 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 266 L C 2.289 179.245 176.870 0.143 0.000 1.085 266 L CA 1.257 56.251 54.840 0.256 0.000 0.755 266 L CB -0.250 41.941 42.059 0.220 0.000 0.904 266 L HN 0.130 nan 8.230 nan 0.000 0.435 267 R N -0.044 120.525 120.500 0.114 0.000 2.073 267 R HA -0.166 4.173 4.340 -0.000 0.000 0.234 267 R C 1.853 178.196 176.300 0.071 0.000 1.134 267 R CA 1.620 57.768 56.100 0.081 0.000 0.952 267 R CB -0.462 29.876 30.300 0.064 0.000 0.850 267 R HN 0.339 nan 8.270 nan 0.000 0.433 268 D N 0.583 121.025 120.400 0.070 0.000 2.221 268 D HA -0.127 4.513 4.640 -0.000 0.000 0.204 268 D C 1.472 177.807 176.300 0.058 0.000 0.982 268 D CA 1.338 55.368 54.000 0.051 0.000 0.857 268 D CB -0.126 40.694 40.800 0.032 0.000 0.934 268 D HN 0.283 nan 8.370 nan 0.000 0.475 269 A N -0.480 122.392 122.820 0.086 0.000 2.235 269 A HA 0.402 4.722 4.320 -0.000 0.000 0.208 269 A C 1.732 179.348 177.584 0.053 0.000 1.172 269 A CA 1.086 53.166 52.037 0.072 0.000 0.786 269 A CB -0.092 18.961 19.000 0.089 0.000 0.804 269 A HN 0.265 nan 8.150 nan 0.000 0.479 270 G N -2.429 106.406 108.800 0.058 0.000 2.138 270 G HA2 0.187 4.147 3.960 -0.000 0.000 0.193 270 G HA3 0.187 4.147 3.960 -0.000 0.000 0.193 270 G C 0.271 175.212 174.900 0.068 0.000 0.998 270 G CA 0.108 45.243 45.100 0.058 0.000 0.668 270 G HN 1.447 nan 8.290 nan 0.000 0.516 271 A N -0.139 122.720 122.820 0.065 0.000 2.302 271 A HA 0.637 4.957 4.320 -0.000 0.000 0.285 271 A C -0.033 177.595 177.584 0.074 0.000 1.105 271 A CA 0.279 52.349 52.037 0.057 0.000 0.816 271 A CB 0.840 19.868 19.000 0.046 0.000 1.067 271 A HN 0.442 nan 8.150 nan 0.000 0.489 272 D N 1.499 121.939 120.400 0.066 0.000 2.412 272 D HA 0.486 5.126 4.640 -0.000 0.000 0.224 272 D C -0.804 175.540 176.300 0.072 0.000 1.093 272 D CA 0.071 54.131 54.000 0.100 0.000 0.850 272 D CB 0.106 41.025 40.800 0.198 0.000 1.046 272 D HN 0.342 nan 8.370 nan 0.000 0.507 273 I N 2.861 123.478 120.570 0.079 0.000 2.433 273 I HA 0.362 4.532 4.170 -0.000 0.000 0.292 273 I C 0.277 176.443 176.117 0.082 0.000 1.001 273 I CA -0.766 60.581 61.300 0.079 0.000 1.119 273 I CB 1.908 39.946 38.000 0.064 0.000 1.289 273 I HN 0.263 nan 8.210 nan 0.000 0.438 274 E N 4.136 124.408 120.200 0.120 0.000 2.359 274 E HA 0.722 5.072 4.350 -0.000 0.000 0.266 274 E C -1.420 175.151 176.600 -0.048 0.000 0.920 274 E CA -0.693 55.765 56.400 0.097 0.000 0.788 274 E CB 3.121 32.961 29.700 0.234 0.000 1.279 274 E HN 0.383 nan 8.360 nan 0.000 0.438 275 V N -0.910 118.753 119.914 -0.418 0.000 2.841 275 V HA 0.923 5.043 4.120 -0.000 0.000 0.310 275 V C 0.018 175.169 176.094 -1.572 0.000 1.090 275 V CA -0.421 61.345 62.300 -0.890 0.000 0.930 275 V CB 1.416 32.975 31.823 -0.441 0.000 1.014 275 V HN 0.703 nan 8.190 nan 0.000 0.425 276 G N 1.415 108.690 108.800 -2.541 0.000 2.695 276 G HA2 0.412 4.372 3.960 -0.000 0.000 0.213 276 G HA3 0.412 4.372 3.960 -0.000 0.000 0.213 276 G C 0.212 174.690 174.900 -0.704 0.000 1.406 276 G CA 0.376 44.417 45.100 -1.764 0.000 1.049 276 G HN 0.916 nan 8.290 nan 0.000 0.573 277 E N -0.658 119.346 120.200 -0.327 0.000 2.318 277 E HA -0.010 4.340 4.350 -0.000 0.000 0.193 277 E C 0.193 176.729 176.600 -0.107 0.000 0.998 277 E CA 0.905 57.215 56.400 -0.151 0.000 0.859 277 E CB 0.311 29.986 29.700 -0.040 0.000 0.812 277 E HN 0.518 nan 8.360 nan 0.000 0.492 278 D N -0.556 119.801 120.400 -0.072 0.000 2.740 278 D HA 0.001 4.641 4.640 -0.000 0.000 0.305 278 D C -0.335 176.051 176.300 0.143 0.000 1.583 278 D CA -0.472 53.546 54.000 0.029 0.000 0.790 278 D CB -0.887 39.958 40.800 0.075 0.000 1.187 278 D HN 0.164 nan 8.370 nan 0.000 0.447 279 W N 0.215 121.518 121.300 0.005 0.000 3.083 279 W HA 0.714 5.374 4.660 -0.000 0.000 0.333 279 W C -1.938 174.588 176.519 0.012 0.000 1.217 279 W CA -1.323 56.025 57.345 0.005 0.000 1.170 279 W CB 0.605 30.064 29.460 -0.001 0.000 1.437 279 W HN -0.306 nan 8.180 nan 0.000 0.557 280 I N 2.902 123.658 120.570 0.310 0.000 2.582 280 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 280 I C -0.050 176.296 176.117 0.381 0.000 1.066 280 I CA -0.736 60.684 61.300 0.200 0.000 1.053 280 I CB 2.567 40.618 38.000 0.085 0.000 1.241 280 I HN 0.466 nan 8.210 nan 0.000 0.421 281 S N 6.655 122.591 115.700 0.393 0.000 2.532 281 S HA 0.872 5.342 4.470 -0.000 0.000 0.301 281 S C -1.011 173.682 174.600 0.154 0.000 1.083 281 S CA -0.729 57.640 58.200 0.281 0.000 1.025 281 S CB 2.406 65.802 63.200 0.327 0.000 1.056 281 S HN 0.642 nan 8.310 nan 0.000 0.494 282 L N 1.890 123.162 121.223 0.083 0.000 2.464 282 L HA 0.672 5.012 4.340 -0.000 0.000 0.266 282 L C -2.110 174.740 176.870 -0.034 0.000 0.965 282 L CA -0.259 54.602 54.840 0.035 0.000 0.833 282 L CB 2.001 44.085 42.059 0.042 0.000 1.296 282 L HN 0.845 nan 8.230 nan 0.000 0.405 283 D N 4.605 124.942 120.400 -0.105 0.000 2.787 283 D HA 0.354 4.994 4.640 -0.000 0.000 0.246 283 D C 0.142 176.246 176.300 -0.326 0.000 1.150 283 D CA -0.433 53.399 54.000 -0.281 0.000 0.864 283 D CB 1.989 42.498 40.800 -0.485 0.000 1.481 283 D HN 0.485 nan 8.370 nan 0.000 0.509 284 M N 1.406 120.864 119.600 -0.237 0.000 2.465 284 M HA 0.044 4.524 4.480 -0.000 0.000 0.249 284 M C 0.117 176.408 176.300 -0.016 0.000 1.130 284 M CA 0.199 55.441 55.300 -0.097 0.000 1.067 284 M CB -0.617 31.961 32.600 -0.038 0.000 1.394 284 M HN 0.487 nan 8.290 nan 0.000 0.483 285 H N 0.360 119.439 119.070 0.015 0.000 2.713 285 H HA -0.161 4.395 4.556 -0.000 0.000 0.311 285 H C 1.364 176.698 175.328 0.009 0.000 1.175 285 H CA 0.945 57.000 56.048 0.012 0.000 1.143 285 H CB -2.178 27.593 29.762 0.014 0.000 1.434 285 H HN 0.654 nan 8.280 nan 0.000 0.418 286 G N -0.812 108.030 108.800 0.070 0.000 2.189 286 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.267 286 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.267 286 G C 0.487 175.412 174.900 0.042 0.000 0.975 286 G CA 0.825 45.953 45.100 0.046 0.000 0.644 286 G HN 0.390 nan 8.290 nan 0.000 0.537 287 K N 0.361 120.795 120.400 0.055 0.000 2.202 287 K HA 0.372 4.692 4.320 -0.000 0.000 0.264 287 K C 0.753 177.369 176.600 0.026 0.000 1.010 287 K CA -0.711 55.603 56.287 0.045 0.000 0.940 287 K CB 1.004 33.542 32.500 0.063 0.000 0.983 287 K HN 0.470 nan 8.250 nan 0.000 0.475 288 R N 3.117 123.630 120.500 0.022 0.000 2.390 288 R HA 0.176 4.516 4.340 -0.000 0.000 0.291 288 R C -2.031 174.279 176.300 0.016 0.000 1.070 288 R CA -1.239 54.869 56.100 0.014 0.000 1.014 288 R CB 0.447 30.756 30.300 0.015 0.000 1.007 288 R HN 0.331 nan 8.270 nan 0.000 0.466 289 P HA 0.043 nan 4.420 nan 0.000 0.272 289 P C -1.209 176.102 177.300 0.018 0.000 1.223 289 P CA 0.062 63.168 63.100 0.011 0.000 0.784 289 P CB 0.680 32.374 31.700 -0.009 0.000 0.923 290 K N 1.041 121.457 120.400 0.026 0.000 2.156 290 K HA 0.482 4.802 4.320 -0.000 0.000 0.271 290 K C 0.222 176.837 176.600 0.025 0.000 0.995 290 K CA -0.657 55.646 56.287 0.026 0.000 0.890 290 K CB 1.685 34.201 32.500 0.027 0.000 1.073 290 K HN 0.537 nan 8.250 nan 0.000 0.454 291 A N 2.190 125.022 122.820 0.020 0.000 2.561 291 A HA 0.221 4.541 4.320 -0.000 0.000 0.234 291 A C 0.388 177.967 177.584 -0.007 0.000 1.055 291 A CA -0.200 51.843 52.037 0.010 0.000 0.756 291 A CB -0.108 18.897 19.000 0.008 0.000 0.986 291 A HN 0.544 nan 8.150 nan 0.000 0.505 292 V N 0.412 120.313 119.914 -0.021 0.000 3.126 292 V HA 0.665 4.785 4.120 -0.000 0.000 0.314 292 V C -0.426 175.547 176.094 -0.202 0.000 1.138 292 V CA -1.247 61.009 62.300 -0.074 0.000 1.034 292 V CB 1.926 33.744 31.823 -0.008 0.000 1.075 292 V HN 0.877 nan 8.190 nan 0.000 0.442 293 N N 0.114 118.618 118.700 -0.328 0.000 2.342 293 N HA 0.776 5.516 4.740 -0.000 0.000 0.293 293 N C -1.422 173.776 175.510 -0.521 0.000 1.026 293 N CA -0.551 52.128 53.050 -0.618 0.000 0.857 293 N CB 2.285 40.231 38.487 -0.901 0.000 1.256 293 N HN 0.622 nan 8.380 nan 0.000 0.484 294 V N 1.681 121.278 119.914 -0.529 0.000 2.789 294 V HA 0.506 4.626 4.120 -0.000 0.000 0.311 294 V C -0.472 175.426 176.094 -0.327 0.000 1.073 294 V CA -0.776 61.208 62.300 -0.527 0.000 0.921 294 V CB 2.147 33.457 31.823 -0.855 0.000 1.009 294 V HN 0.647 nan 8.190 nan 0.000 0.426 295 R N 2.186 122.533 120.500 -0.255 0.000 2.483 295 R HA 0.539 4.879 4.340 -0.000 0.000 0.303 295 R C -0.189 176.097 176.300 -0.023 0.000 0.987 295 R CA -0.259 55.796 56.100 -0.075 0.000 0.881 295 R CB 1.737 32.033 30.300 -0.007 0.000 1.177 295 R HN 0.932 nan 8.270 nan 0.000 0.451 296 T N 1.288 115.869 114.554 0.045 0.000 2.898 296 T HA 0.702 5.052 4.350 -0.000 0.000 0.301 296 T C 0.091 174.833 174.700 0.071 0.000 1.049 296 T CA -0.038 62.145 62.100 0.138 0.000 1.095 296 T CB 1.551 70.511 68.868 0.153 0.000 0.976 296 T HN 0.738 nan 8.240 nan 0.000 0.539 297 A N 2.904 125.763 122.820 0.065 0.000 2.515 297 A HA 0.729 5.049 4.320 -0.000 0.000 0.292 297 A C -3.168 174.421 177.584 0.009 0.000 1.065 297 A CA -1.608 50.437 52.037 0.013 0.000 0.641 297 A CB 0.146 19.153 19.000 0.011 0.000 1.306 297 A HN 0.661 nan 8.150 nan 0.000 0.441 298 P HA 0.316 nan 4.420 nan 0.000 0.272 298 P C -0.376 176.950 177.300 0.044 0.000 1.223 298 P CA 0.285 63.395 63.100 0.016 0.000 0.784 298 P CB 0.147 31.849 31.700 0.003 0.000 0.923 299 H N 4.122 123.179 119.070 -0.021 0.000 3.092 299 H HA -0.024 4.532 4.556 -0.000 0.000 0.332 299 H C -1.291 174.029 175.328 -0.013 0.000 1.029 299 H CA -0.318 55.718 56.048 -0.020 0.000 1.376 299 H CB 0.227 29.978 29.762 -0.019 0.000 1.329 299 H HN 0.312 nan 8.280 nan 0.000 0.598 300 P HA 0.187 nan 4.420 nan 0.000 0.258 300 P C -0.489 176.573 177.300 -0.397 0.000 1.416 300 P CA 0.026 62.456 63.100 -1.116 0.000 0.927 300 P CB -0.011 31.184 31.700 -0.842 0.000 1.444 301 A N 0.448 123.163 122.820 -0.175 0.000 2.325 301 A HA 0.239 4.559 4.320 -0.000 0.000 0.260 301 A C -0.197 177.396 177.584 0.016 0.000 1.133 301 A CA -0.450 51.559 52.037 -0.047 0.000 0.801 301 A CB -0.497 18.499 19.000 -0.007 0.000 1.092 301 A HN 0.183 nan 8.150 nan 0.000 0.504 302 F N 1.294 121.191 119.950 -0.088 0.000 2.578 302 F HA 0.333 4.859 4.527 -0.000 0.000 0.381 302 F C -1.916 173.853 175.800 -0.052 0.000 1.069 302 F CA -1.720 56.221 58.000 -0.099 0.000 1.231 302 F CB 0.496 39.396 39.000 -0.167 0.000 1.086 302 F HN 0.201 nan 8.300 nan 0.000 0.564 303 P HA 0.058 nan 4.420 nan 0.000 0.280 303 P C 0.469 177.768 177.300 -0.002 0.000 1.244 303 P CA -0.191 62.836 63.100 -0.122 0.000 0.784 303 P CB 1.362 32.946 31.700 -0.194 0.000 0.913 304 T N 0.878 115.485 114.554 0.088 0.000 2.803 304 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 304 T C 0.963 175.739 174.700 0.126 0.000 1.052 304 T CA 1.696 63.884 62.100 0.147 0.000 1.136 304 T CB -0.748 68.210 68.868 0.151 0.000 0.864 304 T HN 0.290 nan 8.240 nan 0.000 0.467 305 D N 0.206 120.647 120.400 0.068 0.000 2.378 305 D HA 0.042 4.682 4.640 -0.000 0.000 0.222 305 D C 1.369 177.687 176.300 0.031 0.000 0.980 305 D CA 0.539 54.563 54.000 0.041 0.000 0.907 305 D CB 0.055 40.864 40.800 0.015 0.000 0.899 305 D HN 0.403 nan 8.370 nan 0.000 0.527 306 M N -0.297 119.317 119.600 0.023 0.000 2.313 306 M HA 0.049 4.529 4.480 -0.000 0.000 0.273 306 M C 1.635 178.156 176.300 0.368 0.000 1.049 306 M CA 0.117 55.475 55.300 0.097 0.000 1.004 306 M CB 0.403 32.897 32.600 -0.177 0.000 1.461 306 M HN -0.011 nan 8.290 nan 0.000 0.514 307 Q N 1.057 121.066 119.800 0.347 0.000 2.084 307 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 307 Q C 1.682 177.815 176.000 0.222 0.000 0.978 307 Q CA 2.127 58.154 55.803 0.373 0.000 0.844 307 Q CB 0.073 28.966 28.738 0.257 0.000 0.898 307 Q HN 0.446 nan 8.270 nan 0.000 0.426 308 A N 0.496 123.289 122.820 -0.045 0.000 1.930 308 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 308 A C 1.996 179.545 177.584 -0.058 0.000 1.175 308 A CA 1.587 53.399 52.037 -0.375 0.000 0.627 308 A CB -0.429 18.019 19.000 -0.920 0.000 0.815 308 A HN 0.466 nan 8.150 nan 0.000 0.443 309 Q N -1.212 118.609 119.800 0.036 0.000 2.084 309 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 309 Q C 1.593 177.620 176.000 0.045 0.000 0.978 309 Q CA 1.653 57.472 55.803 0.027 0.000 0.844 309 Q CB -0.432 28.324 28.738 0.030 0.000 0.898 309 Q HN 0.697 nan 8.270 nan 0.000 0.426 310 F N -0.117 119.904 119.950 0.119 0.000 2.456 310 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 310 F C 2.068 177.911 175.800 0.070 0.000 1.104 310 F CA 1.023 59.092 58.000 0.114 0.000 1.435 310 F CB -0.105 38.999 39.000 0.173 0.000 1.078 310 F HN 0.020 nan 8.300 nan 0.000 0.546 311 T N 0.396 115.099 114.554 0.248 0.000 2.777 311 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 311 T C 2.003 176.782 174.700 0.131 0.000 1.040 311 T CA 1.236 63.464 62.100 0.214 0.000 1.141 311 T CB -0.456 68.622 68.868 0.351 0.000 0.868 311 T HN 0.150 nan 8.240 nan 0.000 0.444 312 L N 1.187 122.463 121.223 0.089 0.000 2.056 312 L HA 0.121 4.461 4.340 -0.000 0.000 0.207 312 L C 2.180 179.043 176.870 -0.010 0.000 1.078 312 L CA 1.410 56.268 54.840 0.031 0.000 0.749 312 L CB -0.841 41.215 42.059 -0.004 0.000 0.901 312 L HN 0.243 nan 8.230 nan 0.000 0.433 313 L N -0.253 120.937 121.223 -0.055 0.000 1.971 313 L HA -0.285 4.055 4.340 -0.000 0.000 0.215 313 L C 2.269 179.125 176.870 -0.023 0.000 1.072 313 L CA 1.958 56.743 54.840 -0.091 0.000 0.758 313 L CB -0.648 41.273 42.059 -0.229 0.000 0.889 313 L HN 0.368 nan 8.230 nan 0.000 0.433 314 N N -0.068 118.644 118.700 0.019 0.000 2.192 314 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 314 N C 1.768 177.292 175.510 0.023 0.000 1.013 314 N CA 1.480 54.547 53.050 0.028 0.000 0.863 314 N CB -0.399 38.111 38.487 0.039 0.000 0.990 314 N HN 0.404 nan 8.380 nan 0.000 0.430 315 L N 0.077 121.315 121.223 0.024 0.000 2.395 315 L HA -0.002 4.338 4.340 -0.000 0.000 0.218 315 L C 1.328 178.204 176.870 0.009 0.000 1.130 315 L CA 0.410 55.264 54.840 0.023 0.000 0.826 315 L CB 0.120 42.193 42.059 0.023 0.000 0.941 315 L HN 0.060 nan 8.230 nan 0.000 0.451 316 V N -4.781 115.134 119.914 0.002 0.000 3.176 316 V HA 0.534 4.654 4.120 -0.000 0.000 0.332 316 V C 0.688 176.785 176.094 0.005 0.000 1.414 316 V CA -0.263 62.035 62.300 -0.003 0.000 1.133 316 V CB -0.318 31.495 31.823 -0.016 0.000 1.088 316 V HN 0.090 nan 8.190 nan 0.000 0.473 317 A N 0.187 123.015 122.820 0.013 0.000 2.248 317 A HA 0.680 5.000 4.320 -0.000 0.000 0.316 317 A C 0.021 177.623 177.584 0.030 0.000 1.101 317 A CA -0.622 51.425 52.037 0.017 0.000 0.875 317 A CB 0.687 19.696 19.000 0.015 0.000 1.207 317 A HN 0.486 nan 8.150 nan 0.000 0.504 318 E N -0.356 119.861 120.200 0.030 0.000 2.105 318 E HA 0.452 4.802 4.350 -0.000 0.000 0.285 318 E C 0.534 177.158 176.600 0.041 0.000 1.055 318 E CA 1.008 57.429 56.400 0.036 0.000 0.843 318 E CB 0.236 29.954 29.700 0.030 0.000 1.067 318 E HN 1.312 nan 8.360 nan 0.000 0.398 319 G N 2.751 111.584 108.800 0.056 0.000 2.500 319 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.209 319 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.209 319 G C -0.574 174.371 174.900 0.075 0.000 1.283 319 G CA -0.561 44.578 45.100 0.065 0.000 0.960 319 G HN 0.486 nan 8.290 nan 0.000 0.528 320 T N 0.556 115.151 114.554 0.069 0.000 2.807 320 T HA 0.740 5.090 4.350 -0.000 0.000 0.279 320 T C 0.424 175.129 174.700 0.008 0.000 0.993 320 T CA 0.462 62.584 62.100 0.036 0.000 0.970 320 T CB 1.565 70.489 68.868 0.092 0.000 0.950 320 T HN 1.752 nan 8.240 nan 0.000 0.441 321 G N 2.004 110.787 108.800 -0.029 0.000 2.612 321 G HA2 0.735 4.695 3.960 -0.000 0.000 0.298 321 G HA3 0.735 4.695 3.960 -0.000 0.000 0.298 321 G C -1.347 173.557 174.900 0.006 0.000 1.336 321 G CA -0.919 44.153 45.100 -0.047 0.000 0.953 321 G HN 0.659 nan 8.290 nan 0.000 0.482 322 F N -0.215 119.695 119.950 -0.067 0.000 2.538 322 F HA 0.862 5.389 4.527 -0.000 0.000 0.325 322 F C -0.729 175.039 175.800 -0.054 0.000 1.066 322 F CA -1.704 56.254 58.000 -0.070 0.000 0.946 322 F CB 1.828 40.785 39.000 -0.071 0.000 1.199 322 F HN 0.283 nan 8.300 nan 0.000 0.473 323 I N 2.428 123.117 120.570 0.199 0.000 2.439 323 I HA 0.286 4.456 4.170 -0.000 0.000 0.285 323 I C -0.935 175.335 176.117 0.254 0.000 1.021 323 I CA -0.509 60.865 61.300 0.123 0.000 1.091 323 I CB 2.206 40.283 38.000 0.128 0.000 1.242 323 I HN 0.702 nan 8.210 nan 0.000 0.439 324 T N 4.350 119.041 114.554 0.228 0.000 2.794 324 T HA 0.291 4.641 4.350 -0.000 0.000 0.280 324 T C -0.343 174.479 174.700 0.203 0.000 0.987 324 T CA -0.430 61.814 62.100 0.241 0.000 0.993 324 T CB 1.653 70.654 68.868 0.222 0.000 0.939 324 T HN 0.479 nan 8.240 nan 0.000 0.449 325 E N 1.679 122.036 120.200 0.263 0.000 2.113 325 E HA 0.376 4.726 4.350 -0.000 0.000 0.273 325 E C 0.821 177.487 176.600 0.110 0.000 0.924 325 E CA -0.608 55.896 56.400 0.173 0.000 0.764 325 E CB 0.811 30.590 29.700 0.133 0.000 1.104 325 E HN 0.644 nan 8.360 nan 0.000 0.406 326 T N 0.618 115.203 114.554 0.053 0.000 3.054 326 T HA 0.149 4.499 4.350 -0.000 0.000 0.255 326 T C 0.967 175.635 174.700 -0.054 0.000 1.035 326 T CA 0.416 62.525 62.100 0.015 0.000 0.941 326 T CB 0.178 69.053 68.868 0.012 0.000 1.026 326 T HN 0.207 nan 8.240 nan 0.000 0.533 327 V N -0.271 119.575 119.914 -0.114 0.000 2.521 327 V HA 0.417 4.537 4.120 -0.000 0.000 0.239 327 V C 0.086 175.897 176.094 -0.471 0.000 1.053 327 V CA 0.370 62.470 62.300 -0.333 0.000 1.073 327 V CB -0.185 31.377 31.823 -0.436 0.000 0.746 327 V HN 0.430 nan 8.190 nan 0.000 0.476 328 F N 0.743 120.679 119.950 -0.025 0.000 2.443 328 F HA 0.447 4.974 4.527 -0.000 0.000 0.369 328 F C 1.112 176.870 175.800 -0.071 0.000 1.090 328 F CA -1.149 56.822 58.000 -0.049 0.000 1.129 328 F CB 0.655 39.611 39.000 -0.073 0.000 1.367 328 F HN 0.053 nan 8.300 nan 0.000 0.465 329 E N 0.499 120.783 120.200 0.141 0.000 2.409 329 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 329 E C 0.986 177.678 176.600 0.153 0.000 1.024 329 E CA 0.650 57.127 56.400 0.129 0.000 0.861 329 E CB 0.082 29.853 29.700 0.118 0.000 0.788 329 E HN 0.320 nan 8.360 nan 0.000 0.521 330 N N 0.737 119.492 118.700 0.092 0.000 2.328 330 N HA 0.021 4.760 4.740 -0.000 0.000 0.247 330 N C -0.536 174.954 175.510 -0.033 0.000 1.165 330 N CA -0.075 53.032 53.050 0.095 0.000 0.873 330 N CB 0.290 38.825 38.487 0.079 0.000 1.125 330 N HN -0.135 nan 8.380 nan 0.000 0.513 331 R N 0.529 120.865 120.500 -0.274 0.000 4.071 331 R HA 0.182 4.522 4.340 -0.000 0.000 0.220 331 R C -0.682 175.304 176.300 -0.523 0.000 1.614 331 R CA 0.070 55.981 56.100 -0.315 0.000 1.505 331 R CB -0.440 29.729 30.300 -0.218 0.000 1.384 331 R HN 0.128 nan 8.270 nan 0.000 0.758 332 F N 0.042 120.015 119.950 0.037 0.000 2.880 332 F HA 0.185 4.712 4.527 -0.000 0.000 0.328 332 F C 1.338 176.939 175.800 -0.331 0.000 1.146 332 F CA -0.365 57.513 58.000 -0.203 0.000 1.135 332 F CB 0.335 39.249 39.000 -0.143 0.000 1.151 332 F HN 0.199 nan 8.300 nan 0.000 0.523 333 M N -0.164 119.443 119.600 0.013 0.000 2.267 333 M HA -0.228 4.252 4.480 -0.000 0.000 0.263 333 M C 2.161 178.456 176.300 -0.009 0.000 1.063 333 M CA 1.976 57.279 55.300 0.004 0.000 1.090 333 M CB -0.806 31.804 32.600 0.016 0.000 1.392 333 M HN 0.452 nan 8.290 nan 0.000 0.422 334 H N -1.663 117.443 119.070 0.062 0.000 2.456 334 H HA -0.021 4.535 4.556 -0.000 0.000 0.296 334 H C 1.869 177.239 175.328 0.070 0.000 1.079 334 H CA 1.025 57.103 56.048 0.051 0.000 1.322 334 H CB -0.944 28.850 29.762 0.053 0.000 1.388 334 H HN 0.100 nan 8.280 nan 0.000 0.538 335 V N 1.833 121.566 119.914 -0.302 0.000 2.233 335 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 335 V C -0.250 175.823 176.094 -0.036 0.000 1.050 335 V CA 2.233 64.456 62.300 -0.129 0.000 1.010 335 V CB -1.252 30.473 31.823 -0.164 0.000 0.637 335 V HN 0.457 nan 8.190 nan 0.000 0.444 336 P HA -0.129 nan 4.420 nan 0.000 0.218 336 P C 1.539 178.844 177.300 0.008 0.000 1.148 336 P CA 1.234 64.329 63.100 -0.007 0.000 0.822 336 P CB -0.058 31.639 31.700 -0.005 0.000 0.784 337 E N -0.222 119.988 120.200 0.016 0.000 2.051 337 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 337 E C 2.179 178.795 176.600 0.027 0.000 0.991 337 E CA 0.937 57.352 56.400 0.026 0.000 0.799 337 E CB -0.988 28.735 29.700 0.039 0.000 0.748 337 E HN 0.320 nan 8.360 nan 0.000 0.449 338 L N 0.957 122.202 121.223 0.036 0.000 2.191 338 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 338 L C 2.442 179.316 176.870 0.007 0.000 1.103 338 L CA 0.773 55.630 54.840 0.029 0.000 0.769 338 L CB -0.291 41.800 42.059 0.053 0.000 0.908 338 L HN 0.021 nan 8.230 nan 0.000 0.438 339 S N -0.455 115.251 115.700 0.010 0.000 2.402 339 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 339 S C 1.951 176.555 174.600 0.006 0.000 1.021 339 S CA 0.889 59.094 58.200 0.008 0.000 0.974 339 S CB -0.137 63.076 63.200 0.022 0.000 0.800 339 S HN 0.399 nan 8.310 nan 0.000 0.484 340 R N 0.629 121.134 120.500 0.008 0.000 2.193 340 R HA 0.097 4.437 4.340 -0.000 0.000 0.229 340 R C 1.478 177.778 176.300 0.001 0.000 1.110 340 R CA 0.920 57.025 56.100 0.008 0.000 0.988 340 R CB -0.273 30.034 30.300 0.012 0.000 0.871 340 R HN 0.441 nan 8.270 nan 0.000 0.458 341 M N -0.651 118.945 119.600 -0.007 0.000 2.431 341 M HA 0.182 4.661 4.480 -0.000 0.000 0.237 341 M C 0.647 176.922 176.300 -0.042 0.000 1.130 341 M CA 0.378 55.668 55.300 -0.017 0.000 1.002 341 M CB 1.232 33.825 32.600 -0.012 0.000 1.524 341 M HN 0.407 nan 8.290 nan 0.000 0.482 342 G N 0.677 109.442 108.800 -0.057 0.000 2.159 342 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.227 342 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.227 342 G C 0.196 174.933 174.900 -0.272 0.000 0.986 342 G CA -0.070 44.957 45.100 -0.121 0.000 0.651 342 G HN 0.658 nan 8.290 nan 0.000 0.523 343 A N 0.519 123.235 122.820 -0.173 0.000 2.425 343 A HA 0.575 4.895 4.320 -0.000 0.000 0.242 343 A C 0.146 177.632 177.584 -0.164 0.000 1.077 343 A CA 0.102 52.030 52.037 -0.183 0.000 0.781 343 A CB 0.153 19.123 19.000 -0.049 0.000 1.020 343 A HN 0.506 nan 8.150 nan 0.000 0.494 344 H N 0.429 119.537 119.070 0.064 0.000 2.638 344 H HA 0.646 5.202 4.556 -0.000 0.000 0.303 344 H C -0.103 175.300 175.328 0.125 0.000 1.034 344 H CA 0.262 56.367 56.048 0.094 0.000 1.225 344 H CB 1.002 30.835 29.762 0.119 0.000 1.394 344 H HN 0.878 nan 8.280 nan 0.000 0.477 345 A N 3.317 126.258 122.820 0.202 0.000 2.572 345 A HA 0.595 4.915 4.320 -0.000 0.000 0.295 345 A C -0.825 176.798 177.584 0.065 0.000 1.072 345 A CA -0.936 51.163 52.037 0.103 0.000 0.691 345 A CB 2.216 21.234 19.000 0.030 0.000 1.291 345 A HN 0.621 nan 8.150 nan 0.000 0.404 346 E N 1.525 121.737 120.200 0.020 0.000 2.288 346 E HA 0.634 4.984 4.350 -0.000 0.000 0.268 346 E C -1.433 175.102 176.600 -0.107 0.000 0.885 346 E CA -0.640 55.746 56.400 -0.023 0.000 0.767 346 E CB 1.979 31.687 29.700 0.013 0.000 1.220 346 E HN 0.496 nan 8.360 nan 0.000 0.427 347 I N 1.730 122.215 120.570 -0.142 0.000 2.330 347 I HA 0.180 4.350 4.170 -0.000 0.000 0.289 347 I C -0.197 175.822 176.117 -0.163 0.000 1.001 347 I CA -0.648 60.509 61.300 -0.238 0.000 1.193 347 I CB 1.175 38.999 38.000 -0.293 0.000 1.345 347 I HN 0.255 nan 8.210 nan 0.000 0.461 348 E N 5.193 125.295 120.200 -0.163 0.000 2.102 348 E HA 0.338 4.688 4.350 -0.000 0.000 0.263 348 E C 0.174 176.717 176.600 -0.096 0.000 0.894 348 E CA -0.062 56.273 56.400 -0.109 0.000 0.746 348 E CB 1.677 31.316 29.700 -0.102 0.000 1.129 348 E HN 0.754 nan 8.360 nan 0.000 0.416 349 S N 3.894 119.558 115.700 -0.059 0.000 4.139 349 S HA -0.350 4.120 4.470 -0.000 0.000 0.603 349 S C 0.632 175.239 174.600 0.013 0.000 1.897 349 S CA 2.105 60.296 58.200 -0.016 0.000 4.241 349 S CB -1.106 62.086 63.200 -0.013 0.000 0.221 349 S HN 0.824 nan 8.310 nan 0.000 0.488 350 N N 0.479 119.213 118.700 0.057 0.000 2.380 350 N HA 0.392 5.132 4.740 -0.000 0.000 0.255 350 N C -0.633 174.973 175.510 0.161 0.000 1.158 350 N CA 0.073 53.240 53.050 0.194 0.000 0.878 350 N CB 0.920 39.535 38.487 0.214 0.000 1.138 350 N HN 0.308 nan 8.380 nan 0.000 0.509 351 T N 0.280 114.803 114.554 -0.053 0.000 2.848 351 T HA 0.280 4.630 4.350 -0.000 0.000 0.285 351 T C -1.055 173.488 174.700 -0.261 0.000 0.995 351 T CA -0.674 61.387 62.100 -0.065 0.000 0.970 351 T CB 2.351 71.177 68.868 -0.070 0.000 0.976 351 T HN 0.025 nan 8.240 nan 0.000 0.441 352 V N 5.546 125.313 119.914 -0.246 0.000 2.394 352 V HA 0.581 4.701 4.120 -0.000 0.000 0.282 352 V C -0.622 175.432 176.094 -0.065 0.000 1.031 352 V CA -0.821 61.325 62.300 -0.257 0.000 0.881 352 V CB 0.404 32.057 31.823 -0.284 0.000 0.982 352 V HN 0.806 nan 8.190 nan 0.000 0.451 353 I N 7.149 127.664 120.570 -0.093 0.000 2.304 353 I HA 0.379 4.548 4.170 -0.000 0.000 0.291 353 I C -0.273 175.714 176.117 -0.216 0.000 1.018 353 I CA -0.266 60.975 61.300 -0.099 0.000 1.260 353 I CB 0.919 38.859 38.000 -0.099 0.000 1.390 353 I HN 0.510 nan 8.210 nan 0.000 0.475 354 C N 5.438 124.593 119.300 -0.242 0.000 2.355 354 C HA 0.456 4.916 4.460 -0.000 0.000 0.332 354 C C 0.019 174.772 174.990 -0.394 0.000 1.255 354 C CA -0.631 58.256 59.018 -0.218 0.000 1.792 354 C CB 0.306 28.014 27.740 -0.054 0.000 2.300 354 C HN 0.625 nan 8.230 nan 0.000 0.515 355 H N 1.354 120.477 119.070 0.090 0.000 2.792 355 H HA 0.294 4.850 4.556 -0.000 0.000 0.298 355 H C 0.528 175.920 175.328 0.107 0.000 1.042 355 H CA -0.071 56.034 56.048 0.094 0.000 1.300 355 H CB 1.119 30.938 29.762 0.094 0.000 1.431 355 H HN 0.956 nan 8.280 nan 0.000 0.496 356 G N 2.517 111.403 108.800 0.143 0.000 2.225 356 G HA2 0.229 4.189 3.960 -0.000 0.000 0.245 356 G HA3 0.229 4.189 3.960 -0.000 0.000 0.245 356 G C 0.672 175.634 174.900 0.104 0.000 1.249 356 G CA -0.128 45.028 45.100 0.094 0.000 0.919 356 G HN 0.456 nan 8.290 nan 0.000 0.486 357 V N 0.487 120.435 119.914 0.056 0.000 3.096 357 V HA 0.545 4.665 4.120 -0.000 0.000 0.319 357 V C 1.082 177.187 176.094 0.017 0.000 1.082 357 V CA -0.689 61.635 62.300 0.039 0.000 1.022 357 V CB 2.072 33.872 31.823 -0.038 0.000 1.103 357 V HN 0.632 nan 8.190 nan 0.000 0.455 358 E N 1.198 121.410 120.200 0.019 0.000 2.072 358 E HA -0.007 4.343 4.350 -0.000 0.000 0.190 358 E C 0.364 176.964 176.600 -0.000 0.000 0.982 358 E CA 1.434 57.842 56.400 0.013 0.000 0.803 358 E CB 0.218 29.929 29.700 0.018 0.000 0.755 358 E HN 0.876 nan 8.360 nan 0.000 0.453 359 K N -0.790 119.605 120.400 -0.009 0.000 2.562 359 K HA 0.371 4.691 4.320 -0.000 0.000 0.267 359 K C -0.778 175.804 176.600 -0.030 0.000 0.938 359 K CA -0.626 55.651 56.287 -0.016 0.000 0.840 359 K CB 0.992 33.486 32.500 -0.009 0.000 1.390 359 K HN -0.157 nan 8.250 nan 0.000 0.428 360 L N 1.108 122.312 121.223 -0.031 0.000 2.416 360 L HA 0.474 4.814 4.340 -0.000 0.000 0.262 360 L C -0.174 176.681 176.870 -0.026 0.000 1.093 360 L CA -0.962 53.855 54.840 -0.038 0.000 0.801 360 L CB 1.763 43.801 42.059 -0.035 0.000 1.191 360 L HN 0.723 nan 8.230 nan 0.000 0.459 361 S N -0.519 115.166 115.700 -0.024 0.000 2.482 361 S HA 0.534 5.004 4.470 -0.000 0.000 0.303 361 S C 0.126 174.721 174.600 -0.008 0.000 1.091 361 S CA -0.776 57.416 58.200 -0.013 0.000 1.057 361 S CB 1.652 64.846 63.200 -0.010 0.000 1.031 361 S HN 0.797 nan 8.310 nan 0.000 0.485 362 G N 1.125 109.923 108.800 -0.004 0.000 2.484 362 G HA2 0.503 4.463 3.960 -0.000 0.000 0.235 362 G HA3 0.503 4.463 3.960 -0.000 0.000 0.235 362 G C -0.175 174.728 174.900 0.005 0.000 1.282 362 G CA 0.185 45.286 45.100 0.001 0.000 0.857 362 G HN 1.119 nan 8.290 nan 0.000 0.571 363 A N 1.422 124.247 122.820 0.009 0.000 2.540 363 A HA 0.644 4.964 4.320 -0.000 0.000 0.291 363 A C -0.673 176.921 177.584 0.018 0.000 1.083 363 A CA -0.790 51.254 52.037 0.012 0.000 0.650 363 A CB 0.748 19.754 19.000 0.010 0.000 1.292 363 A HN 0.677 nan 8.150 nan 0.000 0.435 364 Q N 0.373 120.185 119.800 0.019 0.000 2.295 364 Q HA 0.503 4.843 4.340 -0.000 0.000 0.259 364 Q C -0.164 175.849 176.000 0.023 0.000 0.976 364 Q CA -0.455 55.362 55.803 0.023 0.000 0.923 364 Q CB 1.352 30.103 28.738 0.021 0.000 1.185 364 Q HN 0.993 nan 8.270 nan 0.000 0.410 365 V N -0.339 119.591 119.914 0.027 0.000 3.102 365 V HA 0.682 4.802 4.120 -0.000 0.000 0.312 365 V C -0.802 175.307 176.094 0.025 0.000 1.135 365 V CA -1.258 61.057 62.300 0.025 0.000 1.022 365 V CB 2.292 34.131 31.823 0.027 0.000 1.056 365 V HN 0.846 nan 8.190 nan 0.000 0.436 366 M N 2.897 122.509 119.600 0.020 0.000 2.134 366 M HA 0.789 5.269 4.480 -0.000 0.000 0.310 366 M C -0.100 176.198 176.300 -0.003 0.000 0.966 366 M CA -0.570 54.739 55.300 0.015 0.000 0.922 366 M CB 1.366 33.978 32.600 0.019 0.000 1.537 366 M HN 1.213 nan 8.290 nan 0.000 0.424 367 A N 2.974 125.787 122.820 -0.012 0.000 2.407 367 A HA 0.557 4.877 4.320 -0.000 0.000 0.248 367 A C 0.701 178.180 177.584 -0.176 0.000 1.082 367 A CA 0.218 52.221 52.037 -0.057 0.000 0.785 367 A CB 0.103 19.084 19.000 -0.032 0.000 1.020 367 A HN 0.959 nan 8.150 nan 0.000 0.489 368 T N -2.189 112.143 114.554 -0.370 0.000 3.092 368 T HA 0.191 4.541 4.350 -0.000 0.000 0.273 368 T C -0.207 173.994 174.700 -0.832 0.000 0.898 368 T CA 0.343 61.999 62.100 -0.742 0.000 0.868 368 T CB 0.012 68.692 68.868 -0.315 0.000 1.228 368 T HN 0.612 nan 8.240 nan 0.000 0.555 369 D N 0.816 120.955 120.400 -0.434 0.000 2.505 369 D HA 0.398 5.038 4.640 -0.000 0.000 0.249 369 D C 1.226 177.457 176.300 -0.115 0.000 1.082 369 D CA -0.655 53.203 54.000 -0.237 0.000 0.839 369 D CB 2.108 42.823 40.800 -0.142 0.000 1.317 369 D HN 0.020 nan 8.370 nan 0.000 0.497 370 L N 2.794 123.987 121.223 -0.049 0.000 2.026 370 L HA -0.295 4.045 4.340 -0.000 0.000 0.231 370 L C 2.115 179.028 176.870 0.072 0.000 1.095 370 L CA 1.709 56.563 54.840 0.024 0.000 0.810 370 L CB 0.008 42.055 42.059 -0.020 0.000 0.909 370 L HN 0.422 nan 8.230 nan 0.000 0.444 371 R N -1.796 118.726 120.500 0.037 0.000 2.164 371 R HA 0.169 4.509 4.340 -0.000 0.000 0.198 371 R C 2.039 178.411 176.300 0.119 0.000 1.028 371 R CA 1.002 57.175 56.100 0.122 0.000 1.083 371 R CB -0.694 29.614 30.300 0.015 0.000 1.026 371 R HN 0.347 nan 8.270 nan 0.000 0.514 372 A N 1.047 123.864 122.820 -0.004 0.000 1.940 372 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 372 A C 2.102 179.640 177.584 -0.076 0.000 1.176 372 A CA 1.837 53.820 52.037 -0.090 0.000 0.631 372 A CB -0.444 18.467 19.000 -0.148 0.000 0.814 372 A HN 0.226 nan 8.150 nan 0.000 0.446 373 S N -0.306 115.376 115.700 -0.030 0.000 2.515 373 S HA 0.120 4.590 4.470 -0.000 0.000 0.231 373 S C 2.050 176.628 174.600 -0.037 0.000 0.987 373 S CA 0.669 58.854 58.200 -0.025 0.000 0.936 373 S CB -0.298 62.882 63.200 -0.034 0.000 0.766 373 S HN 0.781 nan 8.310 nan 0.000 0.528 374 A N 1.970 124.749 122.820 -0.068 0.000 2.024 374 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 374 A C 2.300 179.780 177.584 -0.174 0.000 1.164 374 A CA 1.844 53.750 52.037 -0.218 0.000 0.643 374 A CB -0.876 17.828 19.000 -0.493 0.000 0.806 374 A HN 0.639 nan 8.150 nan 0.000 0.451 375 S N -0.064 115.567 115.700 -0.115 0.000 2.423 375 S HA -0.074 4.396 4.470 -0.000 0.000 0.231 375 S C 1.805 176.375 174.600 -0.051 0.000 1.014 375 S CA 1.292 59.438 58.200 -0.090 0.000 0.965 375 S CB -0.682 62.473 63.200 -0.075 0.000 0.785 375 S HN 0.501 nan 8.310 nan 0.000 0.495 376 L N 1.000 122.207 121.223 -0.027 0.000 2.056 376 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 376 L C 2.707 179.567 176.870 -0.015 0.000 1.078 376 L CA 0.964 55.803 54.840 -0.001 0.000 0.749 376 L CB -0.839 41.233 42.059 0.021 0.000 0.901 376 L HN 0.243 nan 8.230 nan 0.000 0.433 377 V N -0.155 119.738 119.914 -0.035 0.000 2.295 377 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 377 V C 2.482 178.518 176.094 -0.097 0.000 1.049 377 V CA 1.451 63.714 62.300 -0.062 0.000 1.024 377 V CB -0.475 31.281 31.823 -0.112 0.000 0.648 377 V HN 0.226 nan 8.190 nan 0.000 0.447 378 L N 0.636 121.788 121.223 -0.119 0.000 2.013 378 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 378 L C 2.652 179.480 176.870 -0.070 0.000 1.073 378 L CA 2.412 57.186 54.840 -0.108 0.000 0.753 378 L CB -1.270 40.711 42.059 -0.129 0.000 0.890 378 L HN 0.307 nan 8.230 nan 0.000 0.432 379 A N -0.611 122.178 122.820 -0.052 0.000 1.908 379 A HA -0.169 4.150 4.320 -0.000 0.000 0.218 379 A C 2.442 180.009 177.584 -0.029 0.000 1.181 379 A CA 1.837 53.855 52.037 -0.032 0.000 0.627 379 A CB -1.470 17.521 19.000 -0.014 0.000 0.818 379 A HN 0.468 nan 8.150 nan 0.000 0.445 380 G N -0.907 107.876 108.800 -0.028 0.000 2.469 380 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 380 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 380 G C 1.574 176.455 174.900 -0.031 0.000 1.150 380 G CA 1.339 46.425 45.100 -0.022 0.000 0.763 380 G HN 0.539 nan 8.290 nan 0.000 0.561 381 C N 0.683 119.956 119.300 -0.045 0.000 2.425 381 C HA 0.014 4.474 4.460 -0.000 0.000 0.277 381 C C 2.634 177.604 174.990 -0.032 0.000 1.280 381 C CA 0.925 59.916 59.018 -0.044 0.000 1.744 381 C CB -0.918 26.790 27.740 -0.052 0.000 1.989 381 C HN 0.663 nan 8.230 nan 0.000 0.491 382 I N -1.273 119.278 120.570 -0.031 0.000 3.956 382 I HA 0.392 4.562 4.170 -0.000 0.000 0.333 382 I C 0.981 177.086 176.117 -0.021 0.000 1.302 382 I CA -0.111 61.174 61.300 -0.026 0.000 1.122 382 I CB -0.360 37.623 38.000 -0.029 0.000 1.013 382 I HN 0.079 nan 8.210 nan 0.000 0.405 383 A N 1.679 124.487 122.820 -0.020 0.000 2.287 383 A HA 0.357 4.677 4.320 -0.000 0.000 0.273 383 A C -0.098 177.479 177.584 -0.012 0.000 1.091 383 A CA -0.253 51.774 52.037 -0.016 0.000 0.817 383 A CB 0.389 19.380 19.000 -0.015 0.000 1.069 383 A HN 0.406 nan 8.150 nan 0.000 0.492 384 E N 0.056 120.249 120.200 -0.010 0.000 2.052 384 E HA 0.474 4.824 4.350 -0.000 0.000 0.283 384 E C 0.668 177.265 176.600 -0.004 0.000 1.071 384 E CA 1.299 57.695 56.400 -0.007 0.000 0.851 384 E CB -0.295 29.401 29.700 -0.006 0.000 1.066 384 E HN 1.499 nan 8.360 nan 0.000 0.396 385 G N 3.113 111.911 108.800 -0.003 0.000 2.443 385 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.209 385 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.209 385 G C -0.563 174.338 174.900 0.001 0.000 1.176 385 G CA -0.343 44.757 45.100 -0.000 0.000 1.074 385 G HN 0.549 nan 8.290 nan 0.000 0.577 386 T N 1.555 116.112 114.554 0.005 0.000 2.770 386 T HA 0.665 5.015 4.350 -0.000 0.000 0.283 386 T C -0.261 174.446 174.700 0.013 0.000 0.988 386 T CA 0.237 62.342 62.100 0.009 0.000 0.957 386 T CB 1.486 70.362 68.868 0.013 0.000 0.930 386 T HN 0.701 nan 8.240 nan 0.000 0.443 387 T N 2.916 117.479 114.554 0.016 0.000 2.797 387 T HA 0.505 4.855 4.350 -0.000 0.000 0.279 387 T C -0.240 174.483 174.700 0.039 0.000 0.991 387 T CA -0.518 61.595 62.100 0.022 0.000 0.979 387 T CB 1.223 70.101 68.868 0.017 0.000 0.943 387 T HN 0.304 nan 8.240 nan 0.000 0.444 388 V N 4.186 124.125 119.914 0.041 0.000 2.334 388 V HA 0.311 4.431 4.120 -0.000 0.000 0.281 388 V C -0.043 176.086 176.094 0.059 0.000 1.016 388 V CA -0.747 61.586 62.300 0.055 0.000 0.832 388 V CB 1.489 33.337 31.823 0.042 0.000 0.999 388 V HN 0.716 nan 8.190 nan 0.000 0.439 389 V N 4.412 124.380 119.914 0.091 0.000 2.353 389 V HA 0.255 4.375 4.120 -0.000 0.000 0.264 389 V C 0.207 176.322 176.094 0.035 0.000 1.049 389 V CA -0.339 62.009 62.300 0.080 0.000 0.896 389 V CB 1.203 33.108 31.823 0.137 0.000 1.025 389 V HN 0.845 nan 8.190 nan 0.000 0.475 390 D N 4.067 124.479 120.400 0.020 0.000 2.313 390 D HA 0.304 4.944 4.640 -0.000 0.000 0.247 390 D C 0.857 177.151 176.300 -0.010 0.000 1.094 390 D CA -0.177 53.827 54.000 0.007 0.000 0.925 390 D CB 0.531 41.346 40.800 0.025 0.000 1.188 390 D HN 0.492 nan 8.370 nan 0.000 0.430 391 R N 1.420 121.918 120.500 -0.004 0.000 3.532 391 R HA -0.147 4.192 4.340 -0.000 0.000 0.284 391 R C 1.148 177.315 176.300 -0.221 0.000 1.140 391 R CA 0.664 56.750 56.100 -0.024 0.000 0.768 391 R CB -2.187 28.125 30.300 0.020 0.000 1.252 391 R HN 0.614 nan 8.270 nan 0.000 0.454 392 I N -2.100 118.358 120.570 -0.187 0.000 3.334 392 I HA -0.159 4.011 4.170 -0.000 0.000 0.282 392 I C 1.999 177.998 176.117 -0.197 0.000 1.313 392 I CA 0.649 61.809 61.300 -0.233 0.000 1.396 392 I CB -0.551 37.161 38.000 -0.480 0.000 1.054 392 I HN 0.289 nan 8.210 nan 0.000 0.495 393 Y N 0.481 120.698 120.300 -0.139 0.000 2.315 393 Y HA -0.224 4.326 4.550 -0.000 0.000 0.288 393 Y C 2.412 178.247 175.900 -0.109 0.000 1.154 393 Y CA 1.255 59.268 58.100 -0.146 0.000 1.229 393 Y CB -1.497 36.844 38.460 -0.198 0.000 0.980 393 Y HN 0.171 nan 8.280 nan 0.000 0.540 394 H N 0.776 119.512 119.070 -0.558 0.000 2.319 394 H HA -0.127 4.429 4.556 -0.000 0.000 0.299 394 H C 2.326 177.612 175.328 -0.069 0.000 1.092 394 H CA 2.147 58.020 56.048 -0.292 0.000 1.302 394 H CB -0.307 29.236 29.762 -0.365 0.000 1.373 394 H HN 0.463 nan 8.280 nan 0.000 0.497 395 I N 0.969 121.591 120.570 0.087 0.000 2.286 395 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 395 I C 1.812 178.054 176.117 0.208 0.000 1.115 395 I CA 1.050 62.458 61.300 0.180 0.000 1.392 395 I CB -0.166 37.932 38.000 0.162 0.000 1.065 395 I HN 0.069 nan 8.210 nan 0.000 0.418 396 D N 0.840 121.318 120.400 0.130 0.000 2.263 396 D HA -0.136 4.504 4.640 -0.000 0.000 0.208 396 D C 2.219 178.585 176.300 0.111 0.000 0.971 396 D CA 0.916 54.992 54.000 0.127 0.000 0.867 396 D CB -0.183 40.671 40.800 0.090 0.000 0.929 396 D HN 0.351 nan 8.370 nan 0.000 0.492 397 R N -0.314 120.246 120.500 0.101 0.000 2.189 397 R HA 0.061 4.401 4.340 -0.000 0.000 0.218 397 R C 2.022 178.345 176.300 0.038 0.000 1.074 397 R CA 1.072 57.215 56.100 0.072 0.000 0.991 397 R CB 0.073 30.418 30.300 0.075 0.000 0.883 397 R HN 0.136 nan 8.270 nan 0.000 0.457 398 G N -1.322 107.506 108.800 0.045 0.000 2.781 398 G HA2 0.073 4.033 3.960 -0.000 0.000 0.208 398 G HA3 0.073 4.033 3.960 -0.000 0.000 0.208 398 G C -0.184 174.518 174.900 -0.330 0.000 1.099 398 G CA -0.106 44.916 45.100 -0.131 0.000 0.776 398 G HN 0.075 nan 8.290 nan 0.000 0.532 399 Y N 0.039 120.369 120.300 0.050 0.000 2.442 399 Y HA 0.448 4.998 4.550 -0.000 0.000 0.344 399 Y C -0.208 175.742 175.900 0.083 0.000 0.976 399 Y CA -1.152 56.986 58.100 0.063 0.000 1.040 399 Y CB 2.022 40.512 38.460 0.051 0.000 1.228 399 Y HN -0.036 nan 8.280 nan 0.000 0.451 400 E N 4.293 124.625 120.200 0.220 0.000 2.029 400 E HA 0.190 4.540 4.350 -0.000 0.000 0.276 400 E C -0.477 176.232 176.600 0.181 0.000 1.163 400 E CA -0.251 56.247 56.400 0.162 0.000 0.909 400 E CB 0.113 29.882 29.700 0.115 0.000 1.046 400 E HN 0.649 nan 8.360 nan 0.000 0.406 401 R N 3.641 124.242 120.500 0.168 0.000 3.127 401 R HA -0.219 4.121 4.340 -0.000 0.000 0.247 401 R C 0.971 177.366 176.300 0.158 0.000 0.896 401 R CA 0.388 56.578 56.100 0.151 0.000 0.624 401 R CB -1.797 28.566 30.300 0.106 0.000 1.154 401 R HN 0.763 nan 8.270 nan 0.000 0.474 402 I N 0.537 121.214 120.570 0.178 0.000 2.493 402 I HA -0.234 3.936 4.170 -0.000 0.000 0.254 402 I C 2.376 178.511 176.117 0.030 0.000 1.160 402 I CA 1.764 63.144 61.300 0.133 0.000 1.445 402 I CB -0.051 37.947 38.000 -0.003 0.000 1.086 402 I HN 0.515 nan 8.210 nan 0.000 0.433 403 E N 0.564 120.751 120.200 -0.023 0.000 2.152 403 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 403 E C 1.306 177.876 176.600 -0.050 0.000 0.983 403 E CA 1.342 57.659 56.400 -0.138 0.000 0.818 403 E CB 0.071 29.734 29.700 -0.062 0.000 0.758 403 E HN 0.514 nan 8.360 nan 0.000 0.467 404 D N 0.783 121.188 120.400 0.008 0.000 2.120 404 D HA -0.074 4.566 4.640 -0.000 0.000 0.202 404 D C 1.819 178.110 176.300 -0.015 0.000 0.972 404 D CA 0.877 54.879 54.000 0.003 0.000 0.837 404 D CB -0.090 40.723 40.800 0.021 0.000 0.989 404 D HN 0.166 nan 8.370 nan 0.000 0.469 405 K N 0.486 120.886 120.400 -0.000 0.000 2.097 405 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 405 K C 2.292 178.860 176.600 -0.053 0.000 1.049 405 K CA 0.598 56.840 56.287 -0.075 0.000 0.933 405 K CB -0.084 32.341 32.500 -0.126 0.000 0.717 405 K HN 0.136 nan 8.250 nan 0.000 0.442 406 L N 0.344 121.591 121.223 0.039 0.000 2.109 406 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 406 L C 2.702 179.557 176.870 -0.024 0.000 1.086 406 L CA 0.895 55.759 54.840 0.039 0.000 0.760 406 L CB -0.241 41.818 42.059 -0.001 0.000 0.910 406 L HN 0.142 nan 8.230 nan 0.000 0.437 407 R N 0.360 120.835 120.500 -0.042 0.000 2.096 407 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 407 R C 2.172 178.448 176.300 -0.040 0.000 1.127 407 R CA 1.307 57.382 56.100 -0.042 0.000 0.968 407 R CB -0.220 30.057 30.300 -0.038 0.000 0.861 407 R HN 0.313 nan 8.270 nan 0.000 0.440 408 A N 0.035 122.826 122.820 -0.048 0.000 2.216 408 A HA -0.023 4.297 4.320 -0.000 0.000 0.214 408 A C 1.591 179.138 177.584 -0.062 0.000 1.160 408 A CA 0.820 52.823 52.037 -0.057 0.000 0.725 408 A CB -0.169 18.788 19.000 -0.072 0.000 0.784 408 A HN 0.352 nan 8.150 nan 0.000 0.472 409 L N -2.214 118.976 121.223 -0.054 0.000 2.693 409 L HA 0.325 4.665 4.340 -0.000 0.000 0.235 409 L C 1.445 178.296 176.870 -0.031 0.000 1.127 409 L CA 0.547 55.360 54.840 -0.045 0.000 0.914 409 L CB 0.417 42.456 42.059 -0.034 0.000 1.193 409 L HN 0.493 nan 8.230 nan 0.000 0.502 410 G N 0.043 108.824 108.800 -0.031 0.000 2.192 410 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.193 410 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.193 410 G C 0.354 175.238 174.900 -0.027 0.000 0.999 410 G CA -0.178 44.906 45.100 -0.027 0.000 0.659 410 G HN 0.373 nan 8.290 nan 0.000 0.503 411 A N 0.172 122.972 122.820 -0.032 0.000 2.425 411 A HA 0.562 4.882 4.320 -0.000 0.000 0.249 411 A C 0.517 178.076 177.584 -0.042 0.000 1.084 411 A CA 0.234 52.246 52.037 -0.041 0.000 0.781 411 A CB 0.335 19.302 19.000 -0.056 0.000 1.019 411 A HN 0.503 nan 8.150 nan 0.000 0.490 412 N N 2.050 120.727 118.700 -0.039 0.000 2.521 412 N HA 0.355 5.095 4.740 -0.000 0.000 0.236 412 N C -1.250 174.235 175.510 -0.042 0.000 1.067 412 N CA 0.058 53.088 53.050 -0.032 0.000 0.939 412 N CB 0.151 38.626 38.487 -0.020 0.000 1.201 412 N HN 0.645 nan 8.380 nan 0.000 0.511 413 I N 1.103 121.641 120.570 -0.054 0.000 2.656 413 I HA 0.389 4.558 4.170 -0.000 0.000 0.292 413 I C -1.290 174.807 176.117 -0.034 0.000 1.144 413 I CA -0.609 60.643 61.300 -0.080 0.000 1.038 413 I CB 2.037 39.921 38.000 -0.193 0.000 1.244 413 I HN 0.334 nan 8.210 nan 0.000 0.420 414 E N 6.844 127.063 120.200 0.031 0.000 2.308 414 E HA 0.352 4.702 4.350 -0.000 0.000 0.275 414 E C -1.486 175.249 176.600 0.225 0.000 0.890 414 E CA -0.938 55.519 56.400 0.094 0.000 0.754 414 E CB 2.221 31.960 29.700 0.066 0.000 1.207 414 E HN 0.606 nan 8.360 nan 0.000 0.426 415 R N 3.828 124.469 120.500 0.235 0.000 2.198 415 R HA 0.353 4.693 4.340 -0.000 0.000 0.339 415 R C -0.564 175.798 176.300 0.104 0.000 1.020 415 R CA -0.407 55.839 56.100 0.243 0.000 0.864 415 R CB 0.785 31.233 30.300 0.245 0.000 1.105 415 R HN 0.326 nan 8.270 nan 0.000 0.463 416 V N 1.879 121.832 119.914 0.065 0.000 2.994 416 V HA 0.559 4.679 4.120 -0.000 0.000 0.318 416 V C -0.424 175.674 176.094 0.007 0.000 1.085 416 V CA -0.814 61.507 62.300 0.035 0.000 0.998 416 V CB 2.159 34.005 31.823 0.038 0.000 1.063 416 V HN 0.708 nan 8.190 nan 0.000 0.447 417 K N 2.772 123.176 120.400 0.007 0.000 2.832 417 K HA 0.364 4.684 4.320 -0.000 0.000 0.211 417 K C 0.655 177.255 176.600 -0.001 0.000 1.112 417 K CA 0.296 56.581 56.287 -0.002 0.000 1.108 417 K CB 0.429 32.928 32.500 -0.001 0.000 0.899 417 K HN 1.002 nan 8.250 nan 0.000 0.464 418 G N 0.000 108.801 108.800 0.002 0.000 5.446 418 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 418 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 418 G CA 0.000 45.103 45.100 0.005 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925