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 1uae_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERNGSV 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 0.000 176.309 176.300 0.014 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.622 32.600 0.037 0.000 1.302 2 D N 3.467 123.870 120.400 0.006 0.000 2.449 2 D HA 0.343 4.983 4.640 0.001 0.000 0.236 2 D C -0.178 176.092 176.300 -0.051 0.000 1.149 2 D CA 0.716 54.706 54.000 -0.017 0.000 0.878 2 D CB 0.766 41.541 40.800 -0.042 0.000 1.198 2 D HN 0.458 nan 8.370 nan 0.000 0.446 3 K N 0.650 121.027 120.400 -0.040 0.000 2.443 3 K HA 0.514 4.834 4.320 0.001 0.000 0.251 3 K C -0.944 175.669 176.600 0.022 0.000 0.972 3 K CA -0.892 55.372 56.287 -0.039 0.000 0.833 3 K CB 1.498 34.014 32.500 0.027 0.000 1.317 3 K HN 0.098 nan 8.250 nan 0.000 0.441 4 F N 1.526 121.484 119.950 0.013 0.000 2.420 4 F HA 0.375 4.902 4.527 0.001 0.000 0.342 4 F C 0.485 176.287 175.800 0.003 0.000 1.113 4 F CA -1.015 56.988 58.000 0.005 0.000 1.059 4 F CB 1.417 40.412 39.000 -0.007 0.000 1.128 4 F HN 0.356 nan 8.300 nan 0.000 0.475 5 R N 3.330 123.965 120.500 0.225 0.000 2.229 5 R HA 0.678 5.019 4.340 0.001 0.000 0.332 5 R C -1.820 174.504 176.300 0.039 0.000 0.989 5 R CA -0.311 55.851 56.100 0.103 0.000 0.842 5 R CB 0.779 31.123 30.300 0.073 0.000 1.119 5 R HN 0.490 nan 8.270 nan 0.000 0.456 6 V N 4.390 124.323 119.914 0.030 0.000 2.555 6 V HA 0.373 4.493 4.120 0.001 0.000 0.302 6 V C -0.635 175.454 176.094 -0.009 0.000 1.038 6 V CA -0.987 61.306 62.300 -0.011 0.000 0.887 6 V CB 1.854 33.670 31.823 -0.010 0.000 0.991 6 V HN 0.696 nan 8.190 nan 0.000 0.434 7 Q N 2.749 122.536 119.800 -0.021 0.000 2.333 7 Q HA 0.691 5.032 4.340 0.001 0.000 0.268 7 Q C 0.069 176.059 176.000 -0.018 0.000 1.007 7 Q CA -0.113 55.681 55.803 -0.015 0.000 0.810 7 Q CB 2.311 31.041 28.738 -0.014 0.000 1.264 7 Q HN 0.992 nan 8.270 nan 0.000 0.452 8 G N 2.364 111.156 108.800 -0.014 0.000 2.816 8 G HA2 0.789 4.750 3.960 0.001 0.000 0.288 8 G HA3 0.789 4.750 3.960 0.001 0.000 0.288 8 G C -2.795 172.098 174.900 -0.012 0.000 1.334 8 G CA -1.413 43.678 45.100 -0.015 0.000 0.978 8 G HN 0.301 nan 8.290 nan 0.000 0.493 9 P HA 0.444 nan 4.420 nan 0.000 0.284 9 P C -0.860 176.430 177.300 -0.015 0.000 1.258 9 P CA -0.177 62.914 63.100 -0.015 0.000 0.824 9 P CB 2.025 33.716 31.700 -0.014 0.000 1.038 10 T N 1.062 115.606 114.554 -0.017 0.000 2.916 10 T HA 0.292 4.642 4.350 0.001 0.000 0.298 10 T C -0.653 174.038 174.700 -0.016 0.000 1.031 10 T CA -0.627 61.462 62.100 -0.017 0.000 0.993 10 T CB 1.317 70.172 68.868 -0.021 0.000 1.045 10 T HN 0.338 nan 8.240 nan 0.000 0.454 11 K N 3.649 124.041 120.400 -0.014 0.000 2.143 11 K HA 0.570 4.890 4.320 0.001 0.000 0.272 11 K C -0.921 175.674 176.600 -0.009 0.000 1.001 11 K CA -0.596 55.684 56.287 -0.012 0.000 0.915 11 K CB 0.558 33.050 32.500 -0.012 0.000 1.047 11 K HN 0.483 nan 8.250 nan 0.000 0.458 12 L N 4.322 125.543 121.223 -0.003 0.000 2.280 12 L HA 0.333 4.673 4.340 0.001 0.000 0.287 12 L C -0.561 176.313 176.870 0.007 0.000 1.023 12 L CA -0.701 54.145 54.840 0.009 0.000 0.819 12 L CB 1.414 43.492 42.059 0.031 0.000 1.212 12 L HN 0.655 nan 8.230 nan 0.000 0.420 13 Q N 2.914 122.712 119.800 -0.003 0.000 2.345 13 Q HA 0.854 5.194 4.340 0.001 0.000 0.275 13 Q C -0.501 175.484 176.000 -0.025 0.000 1.063 13 Q CA 0.103 55.897 55.803 -0.015 0.000 0.819 13 Q CB 2.588 31.313 28.738 -0.021 0.000 1.356 13 Q HN 0.725 nan 8.270 nan 0.000 0.418 14 G N 2.254 111.035 108.800 -0.032 0.000 2.292 14 G HA2 0.231 4.192 3.960 0.001 0.000 0.194 14 G HA3 0.231 4.192 3.960 0.001 0.000 0.194 14 G C -1.552 173.314 174.900 -0.057 0.000 1.329 14 G CA 0.006 45.079 45.100 -0.046 0.000 1.100 14 G HN 0.930 nan 8.290 nan 0.000 0.470 15 E N -1.721 118.434 120.200 -0.076 0.000 2.392 15 E HA 0.788 5.138 4.350 0.001 0.000 0.269 15 E C -1.335 175.175 176.600 -0.151 0.000 0.924 15 E CA -1.147 55.198 56.400 -0.092 0.000 0.784 15 E CB 2.930 32.583 29.700 -0.079 0.000 1.292 15 E HN 1.300 nan 8.360 nan 0.000 0.447 16 V N 0.761 120.566 119.914 -0.182 0.000 2.888 16 V HA 0.507 4.627 4.120 0.001 0.000 0.309 16 V C -1.368 174.622 176.094 -0.173 0.000 1.114 16 V CA -0.356 61.770 62.300 -0.290 0.000 0.940 16 V CB 2.552 33.967 31.823 -0.680 0.000 1.021 16 V HN 0.909 nan 8.190 nan 0.000 0.426 17 T N 7.335 121.805 114.554 -0.139 0.000 2.749 17 T HA 0.536 4.886 4.350 0.001 0.000 0.287 17 T C -0.188 174.494 174.700 -0.029 0.000 0.970 17 T CA -0.281 61.785 62.100 -0.057 0.000 0.980 17 T CB 0.731 69.580 68.868 -0.031 0.000 0.924 17 T HN 0.449 nan 8.240 nan 0.000 0.456 18 I N 3.074 123.651 120.570 0.013 0.000 2.529 18 I HA 0.180 4.350 4.170 0.001 0.000 0.284 18 I C 1.117 177.265 176.117 0.051 0.000 1.082 18 I CA -0.025 61.311 61.300 0.060 0.000 1.406 18 I CB 0.634 38.682 38.000 0.079 0.000 1.405 18 I HN 0.583 nan 8.210 nan 0.000 0.548 19 S N 3.874 119.617 115.700 0.071 0.000 2.645 19 S HA 0.470 4.940 4.470 0.001 0.000 0.266 19 S C 0.666 175.283 174.600 0.028 0.000 1.258 19 S CA -0.595 57.633 58.200 0.047 0.000 0.990 19 S CB 1.196 64.431 63.200 0.059 0.000 0.967 19 S HN 0.850 nan 8.310 nan 0.000 0.556 20 G N 0.255 109.062 108.800 0.011 0.000 2.559 20 G HA2 0.414 4.375 3.960 0.001 0.000 0.235 20 G HA3 0.414 4.375 3.960 0.001 0.000 0.235 20 G C 0.000 174.898 174.900 -0.005 0.000 1.266 20 G CA -0.291 44.808 45.100 -0.002 0.000 0.847 20 G HN 0.919 nan 8.290 nan 0.000 0.583 21 A N 1.522 124.336 122.820 -0.010 0.000 2.491 21 A HA 0.246 4.566 4.320 0.001 0.000 0.261 21 A C 1.681 179.256 177.584 -0.014 0.000 1.101 21 A CA 0.288 52.315 52.037 -0.017 0.000 0.772 21 A CB 0.266 19.256 19.000 -0.017 0.000 1.043 21 A HN 0.926 nan 8.150 nan 0.000 0.501 22 K N 2.288 122.672 120.400 -0.026 0.000 2.052 22 K HA -0.240 4.081 4.320 0.001 0.000 0.215 22 K C 0.675 177.300 176.600 0.042 0.000 1.053 22 K CA 2.278 58.562 56.287 -0.005 0.000 0.934 22 K CB -0.113 32.363 32.500 -0.041 0.000 0.717 22 K HN 0.771 nan 8.250 nan 0.000 0.450 23 N N -0.445 118.278 118.700 0.039 0.000 2.398 23 N HA 0.028 4.768 4.740 0.001 0.000 0.188 23 N C 0.714 176.253 175.510 0.048 0.000 1.122 23 N CA 0.719 53.828 53.050 0.099 0.000 0.866 23 N CB 0.747 39.301 38.487 0.111 0.000 0.970 23 N HN 0.331 nan 8.380 nan 0.000 0.462 24 A N 0.013 122.833 122.820 -0.001 0.000 2.013 24 A HA 0.419 4.740 4.320 0.001 0.000 0.204 24 A C 2.173 179.708 177.584 -0.081 0.000 1.262 24 A CA 0.732 52.738 52.037 -0.052 0.000 0.800 24 A CB -0.294 18.687 19.000 -0.031 0.000 0.909 24 A HN 0.176 nan 8.150 nan 0.000 0.472 25 A N 0.476 123.269 122.820 -0.044 0.000 1.908 25 A HA -0.070 4.251 4.320 0.001 0.000 0.218 25 A C 2.117 179.667 177.584 -0.056 0.000 1.181 25 A CA 1.550 53.547 52.037 -0.068 0.000 0.627 25 A CB -0.701 18.277 19.000 -0.036 0.000 0.818 25 A HN 0.452 nan 8.150 nan 0.000 0.445 26 L N -0.096 121.159 121.223 0.054 0.000 1.970 26 L HA -0.132 4.209 4.340 0.001 0.000 0.212 26 L C -0.202 176.791 176.870 0.204 0.000 1.071 26 L CA 1.902 56.875 54.840 0.222 0.000 0.751 26 L CB -1.544 40.776 42.059 0.434 0.000 0.889 26 L HN 0.306 nan 8.230 nan 0.000 0.432 27 P HA -0.164 nan 4.420 nan 0.000 0.218 27 P C 1.840 178.952 177.300 -0.312 0.000 1.149 27 P CA 1.578 64.298 63.100 -0.633 0.000 0.817 27 P CB 0.008 31.005 31.700 -1.172 0.000 0.785 28 I N -0.957 119.418 120.570 -0.324 0.000 2.226 28 I HA -0.222 3.949 4.170 0.001 0.000 0.245 28 I C 2.327 178.173 176.117 -0.452 0.000 1.100 28 I CA 0.991 61.974 61.300 -0.528 0.000 1.374 28 I CB -0.715 36.854 38.000 -0.718 0.000 1.057 28 I HN -0.117 nan 8.210 nan 0.000 0.413 29 L N 0.119 121.159 121.223 -0.304 0.000 2.012 29 L HA -0.216 4.124 4.340 0.001 0.000 0.210 29 L C 2.349 179.044 176.870 -0.291 0.000 1.073 29 L CA 2.097 56.754 54.840 -0.306 0.000 0.748 29 L CB -1.274 40.570 42.059 -0.358 0.000 0.891 29 L HN 0.124 nan 8.230 nan 0.000 0.431 30 F N -0.572 119.385 119.950 0.012 0.000 2.186 30 F HA -0.110 4.418 4.527 0.001 0.000 0.299 30 F C 2.443 178.287 175.800 0.074 0.000 1.090 30 F CA 0.965 59.017 58.000 0.086 0.000 1.307 30 F CB -1.025 38.094 39.000 0.199 0.000 1.019 30 F HN 0.068 nan 8.300 nan 0.000 0.489 31 A N 0.263 123.184 122.820 0.168 0.000 1.978 31 A HA -0.105 4.215 4.320 0.001 0.000 0.220 31 A C 2.379 180.122 177.584 0.266 0.000 1.170 31 A CA 1.569 53.718 52.037 0.186 0.000 0.636 31 A CB -1.243 17.877 19.000 0.199 0.000 0.810 31 A HN 0.302 nan 8.150 nan 0.000 0.448 32 A N -0.308 122.667 122.820 0.260 0.000 2.131 32 A HA -0.015 4.306 4.320 0.001 0.000 0.220 32 A C 1.959 179.646 177.584 0.172 0.000 1.158 32 A CA 1.270 53.460 52.037 0.256 0.000 0.665 32 A CB -0.633 18.462 19.000 0.158 0.000 0.795 32 A HN 0.513 nan 8.150 nan 0.000 0.460 33 L N -0.865 120.464 121.223 0.177 0.000 2.261 33 L HA -0.189 4.151 4.340 0.001 0.000 0.216 33 L C 2.208 179.186 176.870 0.180 0.000 1.114 33 L CA 0.789 55.758 54.840 0.215 0.000 0.777 33 L CB -0.473 41.757 42.059 0.285 0.000 0.910 33 L HN 0.410 nan 8.230 nan 0.000 0.440 34 L N -0.292 121.004 121.223 0.122 0.000 2.201 34 L HA -0.017 4.323 4.340 0.001 0.000 0.212 34 L C 1.486 178.358 176.870 0.003 0.000 1.105 34 L CA -0.085 54.775 54.840 0.032 0.000 0.775 34 L CB -0.524 41.539 42.059 0.007 0.000 0.913 34 L HN 0.160 nan 8.230 nan 0.000 0.440 35 A N 0.445 123.290 122.820 0.042 0.000 2.454 35 A HA 0.082 4.402 4.320 0.001 0.000 0.260 35 A C 0.767 178.372 177.584 0.034 0.000 1.106 35 A CA -0.095 51.953 52.037 0.018 0.000 0.780 35 A CB 0.029 19.059 19.000 0.050 0.000 1.044 35 A HN 0.331 nan 8.150 nan 0.000 0.498 36 E N 1.396 121.598 120.200 0.005 0.000 2.451 36 E HA 0.085 4.436 4.350 0.001 0.000 0.194 36 E C -0.266 176.350 176.600 0.027 0.000 1.027 36 E CA 0.222 56.636 56.400 0.023 0.000 0.914 36 E CB 0.339 30.038 29.700 -0.000 0.000 1.054 36 E HN 0.820 nan 8.360 nan 0.000 0.461 37 E N 0.372 120.587 120.200 0.025 0.000 2.433 37 E HA 0.331 4.682 4.350 0.001 0.000 0.273 37 E C -2.729 173.901 176.600 0.050 0.000 0.950 37 E CA -2.501 53.919 56.400 0.033 0.000 0.796 37 E CB 1.828 31.539 29.700 0.019 0.000 1.330 37 E HN -0.125 nan 8.360 nan 0.000 0.455 38 P HA 0.061 nan 4.420 nan 0.000 0.269 38 P C -0.968 176.389 177.300 0.095 0.000 1.215 38 P CA -0.136 63.014 63.100 0.084 0.000 0.780 38 P CB 0.542 32.295 31.700 0.088 0.000 0.898 39 V N 1.931 121.916 119.914 0.118 0.000 2.735 39 V HA 0.321 4.442 4.120 0.001 0.000 0.310 39 V C -0.216 175.931 176.094 0.089 0.000 1.061 39 V CA -0.532 61.850 62.300 0.136 0.000 0.913 39 V CB 1.807 33.749 31.823 0.198 0.000 1.005 39 V HN 0.532 nan 8.190 nan 0.000 0.428 40 E N 4.850 125.084 120.200 0.057 0.000 2.155 40 E HA 0.522 4.872 4.350 0.001 0.000 0.264 40 E C -1.387 175.179 176.600 -0.057 0.000 0.886 40 E CA -0.558 55.759 56.400 -0.138 0.000 0.752 40 E CB 1.365 30.978 29.700 -0.145 0.000 1.133 40 E HN 0.623 nan 8.360 nan 0.000 0.414 41 I N 4.644 125.128 120.570 -0.145 0.000 2.328 41 I HA 0.191 4.361 4.170 0.001 0.000 0.287 41 I C 0.161 176.212 176.117 -0.111 0.000 1.012 41 I CA -0.576 60.672 61.300 -0.088 0.000 1.195 41 I CB 1.303 39.212 38.000 -0.152 0.000 1.350 41 I HN 0.400 nan 8.210 nan 0.000 0.464 42 Q N 3.967 123.726 119.800 -0.069 0.000 2.221 42 Q HA 0.288 4.628 4.340 0.001 0.000 0.242 42 Q C 0.308 176.271 176.000 -0.061 0.000 0.940 42 Q CA -0.702 55.058 55.803 -0.071 0.000 0.896 42 Q CB 0.770 29.469 28.738 -0.065 0.000 1.226 42 Q HN 0.583 nan 8.270 nan 0.000 0.463 43 N N -0.482 118.190 118.700 -0.046 0.000 2.758 43 N HA -0.159 4.582 4.740 0.001 0.000 0.248 43 N C -1.808 173.685 175.510 -0.029 0.000 1.076 43 N CA 0.241 53.271 53.050 -0.034 0.000 0.696 43 N CB -0.934 37.529 38.487 -0.041 0.000 0.979 43 N HN 0.321 nan 8.380 nan 0.000 0.550 44 V N 1.765 121.660 119.914 -0.031 0.000 2.383 44 V HA 0.448 4.568 4.120 0.001 0.000 0.275 44 V C -1.511 174.578 176.094 -0.010 0.000 1.036 44 V CA -1.168 61.114 62.300 -0.030 0.000 0.889 44 V CB 1.326 33.120 31.823 -0.048 0.000 0.985 44 V HN 0.189 nan 8.190 nan 0.000 0.459 45 P HA 0.165 nan 4.420 nan 0.000 0.271 45 P C -0.721 176.592 177.300 0.021 0.000 1.218 45 P CA -0.444 62.666 63.100 0.017 0.000 0.780 45 P CB 0.732 32.442 31.700 0.016 0.000 0.901 46 K N 2.867 123.288 120.400 0.035 0.000 2.220 46 K HA 0.349 4.670 4.320 0.001 0.000 0.283 46 K C -0.150 176.482 176.600 0.053 0.000 1.098 46 K CA -0.079 56.231 56.287 0.040 0.000 0.928 46 K CB -0.241 32.285 32.500 0.044 0.000 1.214 46 K HN 0.419 nan 8.250 nan 0.000 0.442 47 L N 1.937 123.187 121.223 0.045 0.000 2.354 47 L HA 0.311 4.652 4.340 0.001 0.000 0.264 47 L C 1.174 178.075 176.870 0.052 0.000 1.008 47 L CA -1.043 53.829 54.840 0.054 0.000 0.819 47 L CB 1.594 43.679 42.059 0.043 0.000 1.339 47 L HN 0.281 nan 8.230 nan 0.000 0.420 48 K N 1.118 121.555 120.400 0.063 0.000 2.044 48 K HA -0.209 4.111 4.320 0.001 0.000 0.210 48 K C 1.183 177.816 176.600 0.054 0.000 1.049 48 K CA 2.049 58.370 56.287 0.058 0.000 0.927 48 K CB -0.032 32.513 32.500 0.075 0.000 0.713 48 K HN 0.629 nan 8.250 nan 0.000 0.443 49 D N -0.516 119.923 120.400 0.065 0.000 2.149 49 D HA -0.125 4.516 4.640 0.001 0.000 0.198 49 D C 1.829 178.176 176.300 0.079 0.000 0.990 49 D CA 1.211 55.259 54.000 0.080 0.000 0.839 49 D CB -0.100 40.757 40.800 0.094 0.000 0.948 49 D HN 0.068 nan 8.370 nan 0.000 0.460 50 V N 0.590 120.535 119.914 0.052 0.000 2.307 50 V HA -0.234 3.887 4.120 0.001 0.000 0.245 50 V C 2.082 178.178 176.094 0.004 0.000 1.045 50 V CA 1.838 64.150 62.300 0.020 0.000 1.024 50 V CB -0.530 31.298 31.823 0.009 0.000 0.651 50 V HN 0.118 nan 8.190 nan 0.000 0.449 51 D N 0.189 120.597 120.400 0.014 0.000 2.106 51 D HA -0.209 4.432 4.640 0.001 0.000 0.191 51 D C 2.161 178.463 176.300 0.004 0.000 0.997 51 D CA 2.247 56.251 54.000 0.007 0.000 0.834 51 D CB -0.204 40.604 40.800 0.012 0.000 0.956 51 D HN 0.408 nan 8.370 nan 0.000 0.448 52 T N -0.873 113.693 114.554 0.019 0.000 2.720 52 T HA -0.144 4.207 4.350 0.001 0.000 0.268 52 T C 2.129 176.854 174.700 0.042 0.000 1.037 52 T CA 1.536 63.652 62.100 0.027 0.000 1.144 52 T CB -0.415 68.479 68.868 0.044 0.000 0.864 52 T HN 0.078 nan 8.240 nan 0.000 0.444 53 S N 1.389 117.116 115.700 0.046 0.000 2.368 53 S HA -0.028 4.443 4.470 0.001 0.000 0.225 53 S C 2.135 176.650 174.600 -0.142 0.000 1.030 53 S CA 1.125 59.304 58.200 -0.035 0.000 0.999 53 S CB -0.408 62.675 63.200 -0.194 0.000 0.844 53 S HN 0.450 nan 8.310 nan 0.000 0.459 54 M N 1.205 120.744 119.600 -0.102 0.000 2.108 54 M HA -0.182 4.298 4.480 0.001 0.000 0.261 54 M C 2.093 178.365 176.300 -0.047 0.000 1.066 54 M CA 1.509 56.760 55.300 -0.082 0.000 1.107 54 M CB -0.574 31.997 32.600 -0.049 0.000 1.356 54 M HN 0.210 nan 8.290 nan 0.000 0.406 55 K N 0.512 120.896 120.400 -0.026 0.000 2.057 55 K HA -0.089 4.231 4.320 0.001 0.000 0.206 55 K C 1.989 178.586 176.600 -0.006 0.000 1.050 55 K CA 1.067 57.345 56.287 -0.016 0.000 0.935 55 K CB -0.304 32.187 32.500 -0.015 0.000 0.715 55 K HN 0.302 nan 8.250 nan 0.000 0.439 56 L N 0.910 122.143 121.223 0.016 0.000 1.989 56 L HA -0.231 4.109 4.340 0.001 0.000 0.211 56 L C 2.085 178.985 176.870 0.051 0.000 1.071 56 L CA 1.071 55.948 54.840 0.061 0.000 0.749 56 L CB -0.207 41.950 42.059 0.162 0.000 0.890 56 L HN 0.137 nan 8.230 nan 0.000 0.431 57 L N -0.351 120.868 121.223 -0.005 0.000 2.013 57 L HA -0.274 4.066 4.340 0.001 0.000 0.212 57 L C 2.900 179.770 176.870 -0.001 0.000 1.073 57 L CA 2.104 56.934 54.840 -0.017 0.000 0.753 57 L CB -1.335 40.664 42.059 -0.101 0.000 0.890 57 L HN 0.365 nan 8.230 nan 0.000 0.432 58 S N -1.190 114.502 115.700 -0.013 0.000 2.370 58 S HA -0.243 4.227 4.470 0.001 0.000 0.226 58 S C 1.869 176.459 174.600 -0.017 0.000 1.033 58 S CA 1.366 59.559 58.200 -0.012 0.000 1.011 58 S CB -0.092 63.100 63.200 -0.013 0.000 0.852 58 S HN 0.580 nan 8.310 nan 0.000 0.457 59 Q N 0.056 119.848 119.800 -0.014 0.000 2.291 59 Q HA 0.038 4.378 4.340 0.001 0.000 0.206 59 Q C 1.850 177.825 176.000 -0.042 0.000 0.976 59 Q CA 0.907 56.696 55.803 -0.023 0.000 0.875 59 Q CB -0.249 28.482 28.738 -0.013 0.000 0.927 59 Q HN 0.555 nan 8.270 nan 0.000 0.450 60 L N -0.987 120.220 121.223 -0.026 0.000 2.610 60 L HA 0.078 4.419 4.340 0.001 0.000 0.232 60 L C 1.224 178.020 176.870 -0.124 0.000 1.149 60 L CA 0.584 55.380 54.840 -0.072 0.000 0.872 60 L CB -0.030 42.034 42.059 0.009 0.000 0.992 60 L HN 0.401 nan 8.230 nan 0.000 0.447 61 G N -0.509 108.246 108.800 -0.076 0.000 2.184 61 G HA2 -0.186 3.774 3.960 0.001 0.000 0.206 61 G HA3 -0.186 3.774 3.960 0.001 0.000 0.206 61 G C 0.316 175.209 174.900 -0.013 0.000 0.995 61 G CA -0.170 44.891 45.100 -0.065 0.000 0.651 61 G HN 0.449 nan 8.290 nan 0.000 0.511 62 A N -0.143 122.681 122.820 0.007 0.000 2.351 62 A HA 0.728 5.048 4.320 0.001 0.000 0.257 62 A C 0.328 177.923 177.584 0.018 0.000 1.087 62 A CA 0.199 52.254 52.037 0.029 0.000 0.798 62 A CB 0.451 19.475 19.000 0.039 0.000 1.033 62 A HN 0.339 nan 8.150 nan 0.000 0.488 63 K N 0.642 121.059 120.400 0.028 0.000 2.253 63 K HA 0.542 4.863 4.320 0.001 0.000 0.277 63 K C -1.124 175.496 176.600 0.034 0.000 1.053 63 K CA 0.019 56.321 56.287 0.025 0.000 0.892 63 K CB 1.484 34.001 32.500 0.029 0.000 1.102 63 K HN 0.351 nan 8.250 nan 0.000 0.469 64 V N 2.265 122.194 119.914 0.025 0.000 2.709 64 V HA 0.487 4.607 4.120 0.001 0.000 0.308 64 V C -0.757 175.358 176.094 0.035 0.000 1.062 64 V CA -0.813 61.505 62.300 0.029 0.000 0.901 64 V CB 1.953 33.776 31.823 0.001 0.000 1.003 64 V HN 0.801 nan 8.190 nan 0.000 0.425 65 E N 3.228 123.466 120.200 0.064 0.000 2.372 65 E HA 0.733 5.083 4.350 0.001 0.000 0.279 65 E C -1.429 175.236 176.600 0.107 0.000 0.946 65 E CA -0.859 55.582 56.400 0.069 0.000 0.769 65 E CB 2.729 32.465 29.700 0.059 0.000 1.230 65 E HN 0.843 nan 8.360 nan 0.000 0.442 66 R N 2.286 122.833 120.500 0.079 0.000 2.808 66 R HA 0.569 4.909 4.340 0.001 0.000 0.272 66 R C -0.309 176.041 176.300 0.084 0.000 0.995 66 R CA -0.795 55.359 56.100 0.090 0.000 0.917 66 R CB 1.334 31.655 30.300 0.035 0.000 1.217 66 R HN 0.474 nan 8.270 nan 0.000 0.471 67 N N 0.009 118.762 118.700 0.088 0.000 2.936 67 N HA 0.124 4.865 4.740 0.001 0.000 0.165 67 N C 1.159 176.692 175.510 0.039 0.000 1.621 67 N CA 0.503 53.588 53.050 0.059 0.000 1.214 67 N CB 0.078 38.604 38.487 0.066 0.000 0.959 67 N HN 0.610 nan 8.380 nan 0.000 0.573 68 G N 0.407 109.230 108.800 0.038 0.000 2.464 68 G HA2 0.073 4.033 3.960 0.001 0.000 0.217 68 G HA3 0.073 4.033 3.960 0.001 0.000 0.217 68 G C 0.226 175.123 174.900 -0.005 0.000 1.138 68 G CA 0.555 45.666 45.100 0.017 0.000 0.793 68 G HN 0.359 nan 8.290 nan 0.000 0.539 69 S N -0.776 114.920 115.700 -0.006 0.000 2.608 69 S HA 0.568 5.039 4.470 0.001 0.000 0.291 69 S C -0.473 174.081 174.600 -0.075 0.000 1.146 69 S CA -0.580 57.569 58.200 -0.084 0.000 1.043 69 S CB 2.455 65.532 63.200 -0.205 0.000 1.037 69 S HN -0.003 nan 8.310 nan 0.000 0.520 70 V N 3.436 123.267 119.914 -0.138 0.000 2.394 70 V HA 0.286 4.407 4.120 0.001 0.000 0.282 70 V C -0.206 175.744 176.094 -0.241 0.000 1.031 70 V CA -0.578 61.654 62.300 -0.112 0.000 0.881 70 V CB 0.617 32.389 31.823 -0.085 0.000 0.982 70 V HN 0.791 nan 8.190 nan 0.000 0.451 71 H N 5.553 124.623 119.070 0.001 0.000 2.517 71 H HA 0.543 5.099 4.556 0.001 0.000 0.317 71 H C -0.623 174.711 175.328 0.010 0.000 1.080 71 H CA -0.200 55.856 56.048 0.014 0.000 1.301 71 H CB 1.807 31.578 29.762 0.015 0.000 1.425 71 H HN 0.476 nan 8.280 nan 0.000 0.471 72 I N 2.967 123.595 120.570 0.097 0.000 2.447 72 I HA 0.032 4.203 4.170 0.001 0.000 0.287 72 I C -0.244 175.930 176.117 0.094 0.000 1.023 72 I CA -0.628 60.717 61.300 0.075 0.000 1.083 72 I CB 1.936 39.959 38.000 0.038 0.000 1.245 72 I HN 0.432 nan 8.210 nan 0.000 0.434 73 D N 5.531 125.981 120.400 0.083 0.000 2.454 73 D HA 0.449 5.089 4.640 0.001 0.000 0.225 73 D C 0.433 176.780 176.300 0.079 0.000 1.081 73 D CA -0.254 53.793 54.000 0.078 0.000 0.864 73 D CB 1.842 42.681 40.800 0.066 0.000 1.040 73 D HN 0.634 nan 8.370 nan 0.000 0.517 74 A N 4.326 127.204 122.820 0.097 0.000 2.308 74 A HA 0.097 4.417 4.320 0.001 0.000 0.217 74 A C 1.933 179.611 177.584 0.156 0.000 1.216 74 A CA -0.078 52.034 52.037 0.126 0.000 0.864 74 A CB -0.016 19.073 19.000 0.150 0.000 0.902 74 A HN 0.542 nan 8.150 nan 0.000 0.499 75 R N 0.529 121.100 120.500 0.119 0.000 2.117 75 R HA -0.130 4.211 4.340 0.001 0.000 0.243 75 R C -0.002 176.390 176.300 0.153 0.000 1.143 75 R CA 1.546 57.722 56.100 0.126 0.000 0.968 75 R CB -0.065 30.286 30.300 0.085 0.000 0.863 75 R HN 0.383 nan 8.270 nan 0.000 0.444 76 D N 0.229 120.699 120.400 0.117 0.000 2.525 76 D HA 0.078 4.718 4.640 0.001 0.000 0.229 76 D C -0.432 175.901 176.300 0.055 0.000 1.202 76 D CA -0.079 53.977 54.000 0.095 0.000 0.828 76 D CB 0.437 41.267 40.800 0.051 0.000 1.008 76 D HN -0.120 nan 8.370 nan 0.000 0.493 77 V N 3.169 123.142 119.914 0.098 0.000 2.678 77 V HA -0.122 3.999 4.120 0.001 0.000 0.304 77 V C 1.288 177.221 176.094 -0.267 0.000 1.086 77 V CA 0.762 63.034 62.300 -0.047 0.000 1.246 77 V CB -0.090 31.775 31.823 0.070 0.000 0.861 77 V HN 0.397 nan 8.190 nan 0.000 0.491 78 N N 2.709 121.161 118.700 -0.414 0.000 1.986 78 N HA 0.081 4.821 4.740 0.001 0.000 0.227 78 N C -0.800 174.101 175.510 -1.014 0.000 1.387 78 N CA -0.113 52.589 53.050 -0.580 0.000 0.810 78 N CB 0.623 38.960 38.487 -0.249 0.000 1.140 78 N HN 0.365 nan 8.380 nan 0.000 0.504 79 V N 1.698 121.029 119.914 -0.971 0.000 2.495 79 V HA 0.467 4.588 4.120 0.001 0.000 0.298 79 V C -0.360 175.172 176.094 -0.937 0.000 1.031 79 V CA -0.579 61.157 62.300 -0.939 0.000 0.871 79 V CB 1.229 32.808 31.823 -0.407 0.000 0.988 79 V HN -0.001 nan 8.190 nan 0.000 0.432 80 F N 1.358 121.249 119.950 -0.097 0.000 2.682 80 F HA 0.316 4.843 4.527 0.000 0.000 0.308 80 F C 0.900 176.706 175.800 0.010 0.000 1.093 80 F CA -0.656 57.315 58.000 -0.048 0.000 1.244 80 F CB 0.099 39.075 39.000 -0.040 0.000 1.052 80 F HN 0.430 nan 8.300 nan 0.000 0.573 81 C N 2.681 122.012 119.300 0.051 0.000 2.246 81 C HA 0.822 5.283 4.460 0.001 0.000 0.329 81 C C 0.811 175.865 174.990 0.107 0.000 1.221 81 C CA -0.964 58.091 59.018 0.062 0.000 1.697 81 C CB -1.525 26.198 27.740 -0.028 0.000 2.312 81 C HN 0.393 nan 8.230 nan 0.000 0.509 82 A N 8.573 131.502 122.820 0.183 0.000 2.425 82 A HA 0.567 4.888 4.320 0.001 0.000 0.249 82 A C -2.152 175.543 177.584 0.185 0.000 1.084 82 A CA -0.846 51.294 52.037 0.171 0.000 0.781 82 A CB 0.036 19.139 19.000 0.171 0.000 1.019 82 A HN 0.796 nan 8.150 nan 0.000 0.490 83 P HA 0.024 nan 4.420 nan 0.000 0.270 83 P C 0.204 177.463 177.300 -0.069 0.000 1.242 83 P CA 0.118 63.240 63.100 0.037 0.000 0.768 83 P CB 0.067 31.739 31.700 -0.046 0.000 0.820 84 Y N 4.153 124.503 120.300 0.082 0.000 2.193 84 Y HA -0.291 4.259 4.550 0.001 0.000 0.285 84 Y C 1.754 177.638 175.900 -0.026 0.000 1.166 84 Y CA 2.041 60.136 58.100 -0.008 0.000 1.181 84 Y CB -1.538 36.897 38.460 -0.042 0.000 0.976 84 Y HN 0.316 nan 8.280 nan 0.000 0.520 85 D N 0.856 120.384 120.400 -1.453 0.000 2.178 85 D HA -0.192 4.449 4.640 0.001 0.000 0.201 85 D C 1.844 177.946 176.300 -0.330 0.000 0.980 85 D CA 1.599 55.116 54.000 -0.806 0.000 0.842 85 D CB -0.655 39.647 40.800 -0.829 0.000 0.948 85 D HN 0.550 nan 8.370 nan 0.000 0.472 86 L N 0.450 121.509 121.223 -0.273 0.000 2.095 86 L HA -0.064 4.276 4.340 0.001 0.000 0.204 86 L C 2.883 179.715 176.870 -0.063 0.000 1.080 86 L CA 0.378 55.149 54.840 -0.115 0.000 0.759 86 L CB -0.373 41.651 42.059 -0.059 0.000 0.914 86 L HN -0.091 nan 8.230 nan 0.000 0.439 87 V N 0.119 119.992 119.914 -0.069 0.000 2.392 87 V HA -0.244 3.877 4.120 0.001 0.000 0.249 87 V C 2.425 178.478 176.094 -0.070 0.000 1.059 87 V CA 1.503 63.772 62.300 -0.052 0.000 1.051 87 V CB -0.563 31.233 31.823 -0.045 0.000 0.658 87 V HN 0.390 nan 8.190 nan 0.000 0.455 88 K N 0.550 120.909 120.400 -0.068 0.000 2.439 88 K HA -0.056 4.265 4.320 0.001 0.000 0.197 88 K C 2.010 178.585 176.600 -0.042 0.000 1.041 88 K CA 1.430 57.686 56.287 -0.052 0.000 0.970 88 K CB -0.699 31.787 32.500 -0.024 0.000 0.773 88 K HN 0.736 nan 8.250 nan 0.000 0.479 89 T N -1.539 112.991 114.554 -0.040 0.000 3.129 89 T HA 0.163 4.514 4.350 0.001 0.000 0.251 89 T C 0.899 175.601 174.700 0.002 0.000 1.117 89 T CA -0.245 61.844 62.100 -0.018 0.000 1.034 89 T CB -0.328 68.525 68.868 -0.025 0.000 0.968 89 T HN 0.245 nan 8.240 nan 0.000 0.526 90 M N -1.975 117.611 119.600 -0.023 0.000 2.732 90 M HA 0.641 5.122 4.480 0.001 0.000 0.272 90 M C 0.267 176.506 176.300 -0.102 0.000 1.203 90 M CA -1.175 54.108 55.300 -0.029 0.000 0.841 90 M CB 1.699 34.307 32.600 0.014 0.000 1.685 90 M HN -0.255 nan 8.290 nan 0.000 0.492 91 R N 1.597 122.015 120.500 -0.138 0.000 2.090 91 R HA 0.256 4.596 4.340 0.001 0.000 0.228 91 R C 1.855 177.887 176.300 -0.446 0.000 1.110 91 R CA 2.504 58.446 56.100 -0.265 0.000 0.973 91 R CB -0.738 29.413 30.300 -0.249 0.000 0.869 91 R HN 0.890 nan 8.270 nan 0.000 0.440 92 A N -0.083 122.531 122.820 -0.344 0.000 2.121 92 A HA -0.092 4.229 4.320 0.001 0.000 0.218 92 A C 1.971 179.175 177.584 -0.634 0.000 1.154 92 A CA 1.365 53.106 52.037 -0.493 0.000 0.679 92 A CB -0.722 18.391 19.000 0.188 0.000 0.795 92 A HN 0.540 nan 8.150 nan 0.000 0.458 93 S N 0.163 115.594 115.700 -0.448 0.000 2.420 93 S HA -0.208 4.262 4.470 0.001 0.000 0.237 93 S C 1.688 175.965 174.600 -0.538 0.000 1.023 93 S CA 1.296 59.201 58.200 -0.492 0.000 0.991 93 S CB -0.613 62.485 63.200 -0.171 0.000 0.792 93 S HN 0.430 nan 8.310 nan 0.000 0.488 94 I N 1.370 121.615 120.570 -0.542 0.000 2.335 94 I HA -0.082 4.089 4.170 0.001 0.000 0.251 94 I C 1.674 177.614 176.117 -0.295 0.000 1.129 94 I CA 0.581 61.602 61.300 -0.465 0.000 1.402 94 I CB -0.806 36.813 38.000 -0.635 0.000 1.069 94 I HN 0.386 nan 8.210 nan 0.000 0.424 95 W N 0.481 121.527 121.300 -0.423 0.000 2.825 95 W HA 0.104 4.765 4.660 0.001 0.000 0.243 95 W C 2.384 178.751 176.519 -0.253 0.000 1.293 95 W CA 0.703 57.859 57.345 -0.314 0.000 1.403 95 W CB -1.363 27.927 29.460 -0.282 0.000 1.134 95 W HN 0.290 nan 8.180 nan 0.000 0.666 96 A N 0.044 122.750 122.820 -0.191 0.000 2.067 96 A HA -0.113 4.207 4.320 0.001 0.000 0.219 96 A C 1.990 179.694 177.584 0.199 0.000 1.158 96 A CA 1.090 53.241 52.037 0.190 0.000 0.661 96 A CB -0.538 18.605 19.000 0.238 0.000 0.801 96 A HN 0.174 nan 8.150 nan 0.000 0.452 97 L N -0.023 121.277 121.223 0.128 0.000 1.988 97 L HA 0.050 4.391 4.340 0.001 0.000 0.207 97 L C 2.474 179.437 176.870 0.156 0.000 1.071 97 L CA 2.306 57.227 54.840 0.137 0.000 0.744 97 L CB -1.277 40.838 42.059 0.092 0.000 0.893 97 L HN 0.304 nan 8.230 nan 0.000 0.433 98 G N -0.138 108.763 108.800 0.168 0.000 2.599 98 G HA2 -0.289 3.671 3.960 0.001 0.000 0.219 98 G HA3 -0.289 3.671 3.960 0.001 0.000 0.219 98 G C -0.649 174.329 174.900 0.130 0.000 1.193 98 G CA 1.229 46.419 45.100 0.150 0.000 0.778 98 G HN 0.398 nan 8.290 nan 0.000 0.589 99 P HA -0.006 nan 4.420 nan 0.000 0.217 99 P C 2.132 179.535 177.300 0.173 0.000 1.150 99 P CA 0.642 63.832 63.100 0.150 0.000 0.832 99 P CB -0.122 31.700 31.700 0.203 0.000 0.787 100 L N -1.169 120.205 121.223 0.252 0.000 2.017 100 L HA -0.153 4.187 4.340 0.001 0.000 0.208 100 L C 2.352 179.334 176.870 0.187 0.000 1.073 100 L CA 1.405 56.448 54.840 0.339 0.000 0.745 100 L CB -1.024 41.236 42.059 0.335 0.000 0.894 100 L HN -0.128 nan 8.230 nan 0.000 0.432 101 V N -0.041 119.943 119.914 0.117 0.000 2.295 101 V HA -0.287 3.833 4.120 0.001 0.000 0.246 101 V C 2.726 178.819 176.094 -0.002 0.000 1.049 101 V CA 1.831 64.160 62.300 0.048 0.000 1.024 101 V CB -0.967 30.889 31.823 0.054 0.000 0.648 101 V HN 0.487 nan 8.190 nan 0.000 0.447 102 A N -0.267 122.554 122.820 0.002 0.000 1.933 102 A HA -0.233 4.087 4.320 0.001 0.000 0.218 102 A C 2.427 179.936 177.584 -0.125 0.000 1.175 102 A CA 2.114 54.124 52.037 -0.044 0.000 0.628 102 A CB -0.456 18.526 19.000 -0.030 0.000 0.814 102 A HN 0.498 nan 8.150 nan 0.000 0.444 103 R N -2.479 117.901 120.500 -0.200 0.000 2.128 103 R HA 0.123 4.464 4.340 0.001 0.000 0.211 103 R C 0.857 176.742 176.300 -0.690 0.000 1.067 103 R CA 0.912 56.725 56.100 -0.478 0.000 1.010 103 R CB -0.011 29.884 30.300 -0.675 0.000 0.922 103 R HN 0.460 nan 8.270 nan 0.000 0.457 104 F N -1.057 118.795 119.950 -0.163 0.000 2.704 104 F HA 0.394 4.921 4.527 0.000 0.000 0.304 104 F C 1.443 177.038 175.800 -0.342 0.000 1.094 104 F CA 0.481 58.273 58.000 -0.347 0.000 1.275 104 F CB 1.229 39.740 39.000 -0.814 0.000 1.073 104 F HN 0.266 nan 8.300 nan 0.000 0.586 105 G N 0.803 109.544 108.800 -0.098 0.000 2.179 105 G HA2 -0.253 3.707 3.960 0.001 0.000 0.260 105 G HA3 -0.253 3.707 3.960 0.001 0.000 0.260 105 G C 0.134 174.993 174.900 -0.067 0.000 0.977 105 G CA 0.443 45.498 45.100 -0.075 0.000 0.641 105 G HN 0.513 nan 8.290 nan 0.000 0.533 106 Q N -1.480 118.257 119.800 -0.105 0.000 2.482 106 Q HA 0.678 5.018 4.340 0.001 0.000 0.286 106 Q C -0.451 175.567 176.000 0.029 0.000 1.007 106 Q CA -0.644 55.134 55.803 -0.042 0.000 0.801 106 Q CB 1.862 30.577 28.738 -0.038 0.000 1.455 106 Q HN 1.513 nan 8.270 nan 0.000 0.398 107 G N 0.803 109.660 108.800 0.095 0.000 2.702 107 G HA2 0.503 4.464 3.960 0.001 0.000 0.296 107 G HA3 0.503 4.464 3.960 0.001 0.000 0.296 107 G C -2.052 172.933 174.900 0.142 0.000 1.463 107 G CA -0.632 44.569 45.100 0.168 0.000 0.890 107 G HN 0.397 nan 8.290 nan 0.000 0.534 108 Q N -0.150 119.746 119.800 0.160 0.000 2.290 108 Q HA 0.627 4.968 4.340 0.001 0.000 0.269 108 Q C -0.712 175.459 176.000 0.284 0.000 1.016 108 Q CA -0.645 55.258 55.803 0.166 0.000 0.754 108 Q CB 2.864 31.609 28.738 0.011 0.000 1.247 108 Q HN 0.469 nan 8.270 nan 0.000 0.451 109 V N 1.735 121.822 119.914 0.289 0.000 2.525 109 V HA 0.548 4.669 4.120 0.001 0.000 0.299 109 V C -0.026 176.141 176.094 0.122 0.000 1.034 109 V CA -0.861 61.571 62.300 0.220 0.000 0.863 109 V CB 1.903 33.776 31.823 0.084 0.000 0.999 109 V HN 0.910 nan 8.190 nan 0.000 0.423 110 S N 5.221 120.876 115.700 -0.075 0.000 2.606 110 S HA 0.541 5.011 4.470 0.001 0.000 0.257 110 S C 0.016 174.511 174.600 -0.176 0.000 1.327 110 S CA -0.608 57.392 58.200 -0.332 0.000 0.984 110 S CB 0.386 63.192 63.200 -0.656 0.000 0.941 110 S HN 0.500 nan 8.310 nan 0.000 0.576 111 L N 2.394 123.515 121.223 -0.171 0.000 2.456 111 L HA 0.310 4.650 4.340 0.001 0.000 0.272 111 L C -1.717 175.067 176.870 -0.143 0.000 1.189 111 L CA -1.720 53.036 54.840 -0.141 0.000 0.846 111 L CB -0.078 41.914 42.059 -0.112 0.000 1.111 111 L HN 0.542 nan 8.230 nan 0.000 0.475 112 P HA 0.107 nan 4.420 nan 0.000 0.274 112 P C -0.129 177.098 177.300 -0.122 0.000 1.246 112 P CA -0.282 62.717 63.100 -0.168 0.000 0.795 112 P CB 1.113 32.664 31.700 -0.248 0.000 1.006 113 G N -0.370 108.370 108.800 -0.100 0.000 3.329 113 G HA2 0.581 4.541 3.960 0.001 0.000 0.180 113 G HA3 0.581 4.541 3.960 0.001 0.000 0.180 113 G C 0.303 175.154 174.900 -0.082 0.000 1.640 113 G CA -0.051 45.006 45.100 -0.071 0.000 1.018 113 G HN 0.871 nan 8.290 nan 0.000 0.581 114 G N -2.500 106.273 108.800 -0.044 0.000 2.549 114 G HA2 -0.007 3.953 3.960 0.001 0.000 0.404 114 G HA3 -0.007 3.953 3.960 0.001 0.000 0.404 114 G C 0.034 174.905 174.900 -0.048 0.000 1.292 114 G CA -0.461 44.609 45.100 -0.049 0.000 0.935 114 G HN 1.336 nan 8.290 nan 0.000 0.512 115 C N 0.960 120.204 119.300 -0.093 0.000 2.419 115 C HA 0.371 4.831 4.460 0.001 0.000 0.398 115 C C 2.142 177.031 174.990 -0.169 0.000 1.498 115 C CA 0.854 59.784 59.018 -0.147 0.000 1.494 115 C CB -0.959 26.644 27.740 -0.228 0.000 2.485 115 C HN 1.282 nan 8.230 nan 0.000 0.608 116 T N 0.109 114.590 114.554 -0.121 0.000 3.667 116 T HA 0.149 4.499 4.350 0.001 0.000 0.240 116 T C 0.669 175.296 174.700 -0.122 0.000 0.919 116 T CA 0.004 62.047 62.100 -0.096 0.000 0.928 116 T CB -0.823 68.018 68.868 -0.045 0.000 1.151 116 T HN 0.779 nan 8.240 nan 0.000 0.644 117 I N -2.877 117.568 120.570 -0.208 0.000 3.904 117 I HA 0.664 4.834 4.170 0.001 0.000 0.333 117 I C 0.665 176.696 176.117 -0.144 0.000 1.361 117 I CA -0.847 60.317 61.300 -0.227 0.000 1.116 117 I CB -0.082 37.669 38.000 -0.416 0.000 1.028 117 I HN 0.394 nan 8.210 nan 0.000 0.398 118 G N 0.126 108.879 108.800 -0.079 0.000 2.322 118 G HA2 0.439 4.399 3.960 0.001 0.000 0.295 118 G HA3 0.439 4.399 3.960 0.001 0.000 0.295 118 G C 0.116 175.031 174.900 0.026 0.000 1.369 118 G CA -0.226 44.898 45.100 0.039 0.000 0.821 118 G HN -0.017 nan 8.290 nan 0.000 0.536 119 A N -0.458 122.390 122.820 0.047 0.000 2.019 119 A HA 0.191 4.512 4.320 0.001 0.000 0.219 119 A C 1.534 179.134 177.584 0.027 0.000 1.164 119 A CA 1.728 53.781 52.037 0.026 0.000 0.644 119 A CB -0.574 18.442 19.000 0.026 0.000 0.805 119 A HN 1.239 nan 8.150 nan 0.000 0.449 120 R N -1.058 119.486 120.500 0.074 0.000 3.092 120 R HA -0.127 4.213 4.340 0.001 0.000 0.245 120 R C -2.274 174.041 176.300 0.025 0.000 0.881 120 R CA 0.407 56.558 56.100 0.085 0.000 0.614 120 R CB -1.895 28.432 30.300 0.046 0.000 1.128 120 R HN 0.531 nan 8.270 nan 0.000 0.483 121 P HA 0.028 nan 4.420 nan 0.000 0.271 121 P C 0.659 177.966 177.300 0.011 0.000 1.244 121 P CA -0.019 63.087 63.100 0.010 0.000 0.793 121 P CB 0.674 32.388 31.700 0.022 0.000 0.984 122 V N -3.221 116.687 119.914 -0.011 0.000 3.159 122 V HA 0.094 4.215 4.120 0.001 0.000 0.333 122 V C 1.363 177.519 176.094 0.103 0.000 1.424 122 V CA 0.237 62.528 62.300 -0.015 0.000 1.125 122 V CB -0.518 31.155 31.823 -0.250 0.000 1.075 122 V HN 0.523 nan 8.190 nan 0.000 0.482 123 D N 1.406 121.855 120.400 0.082 0.000 2.182 123 D HA -0.239 4.402 4.640 0.001 0.000 0.201 123 D C 1.698 178.054 176.300 0.093 0.000 0.986 123 D CA 1.507 55.550 54.000 0.072 0.000 0.847 123 D CB 0.022 40.849 40.800 0.044 0.000 0.942 123 D HN 0.552 nan 8.370 nan 0.000 0.467 124 L N -0.165 121.129 121.223 0.119 0.000 2.240 124 L HA -0.038 4.302 4.340 0.001 0.000 0.211 124 L C 2.686 179.592 176.870 0.061 0.000 1.106 124 L CA 0.536 55.415 54.840 0.065 0.000 0.793 124 L CB -0.507 41.561 42.059 0.016 0.000 0.927 124 L HN 0.093 nan 8.230 nan 0.000 0.446 125 H N -0.025 119.061 119.070 0.027 0.000 2.326 125 H HA -0.093 4.464 4.556 0.001 0.000 0.301 125 H C 2.416 177.766 175.328 0.036 0.000 1.081 125 H CA 1.550 57.622 56.048 0.040 0.000 1.334 125 H CB 0.217 29.996 29.762 0.028 0.000 1.385 125 H HN 0.313 nan 8.280 nan 0.000 0.504 126 I N 0.215 120.890 120.570 0.175 0.000 2.179 126 I HA -0.269 3.901 4.170 0.001 0.000 0.242 126 I C 2.889 179.048 176.117 0.071 0.000 1.088 126 I CA 0.916 62.275 61.300 0.098 0.000 1.357 126 I CB -0.275 37.766 38.000 0.068 0.000 1.051 126 I HN 0.134 nan 8.210 nan 0.000 0.409 127 S N 0.803 116.540 115.700 0.062 0.000 2.365 127 S HA -0.193 4.277 4.470 0.001 0.000 0.225 127 S C 2.146 176.769 174.600 0.039 0.000 1.039 127 S CA 1.866 60.091 58.200 0.043 0.000 1.033 127 S CB -0.823 62.397 63.200 0.033 0.000 0.887 127 S HN 0.579 nan 8.310 nan 0.000 0.447 128 G N 1.589 110.412 108.800 0.040 0.000 2.491 128 G HA2 -0.177 3.783 3.960 0.001 0.000 0.218 128 G HA3 -0.177 3.783 3.960 0.001 0.000 0.218 128 G C 1.448 176.373 174.900 0.040 0.000 1.180 128 G CA 1.083 46.202 45.100 0.033 0.000 0.774 128 G HN 0.527 nan 8.290 nan 0.000 0.562 129 L N 0.163 121.420 121.223 0.057 0.000 2.083 129 L HA -0.089 4.252 4.340 0.001 0.000 0.209 129 L C 2.935 179.829 176.870 0.041 0.000 1.083 129 L CA 1.344 56.217 54.840 0.055 0.000 0.752 129 L CB -0.429 41.674 42.059 0.074 0.000 0.899 129 L HN 0.346 nan 8.230 nan 0.000 0.433 130 E N -0.321 119.903 120.200 0.040 0.000 2.110 130 E HA -0.255 4.095 4.350 0.001 0.000 0.193 130 E C 2.185 178.800 176.600 0.025 0.000 0.988 130 E CA 0.963 57.382 56.400 0.031 0.000 0.804 130 E CB -0.074 29.643 29.700 0.029 0.000 0.745 130 E HN 0.557 nan 8.360 nan 0.000 0.458 131 Q N 0.197 120.013 119.800 0.027 0.000 2.224 131 Q HA -0.065 4.276 4.340 0.001 0.000 0.203 131 Q C 1.891 177.905 176.000 0.023 0.000 0.970 131 Q CA 0.699 56.517 55.803 0.024 0.000 0.865 131 Q CB 0.065 28.820 28.738 0.027 0.000 0.922 131 Q HN 0.317 nan 8.270 nan 0.000 0.445 132 L N -1.016 120.220 121.223 0.022 0.000 2.599 132 L HA 0.090 4.430 4.340 0.001 0.000 0.230 132 L C 1.118 177.995 176.870 0.012 0.000 1.141 132 L CA 0.536 55.386 54.840 0.016 0.000 0.877 132 L CB 0.129 42.198 42.059 0.016 0.000 1.009 132 L HN 0.434 nan 8.230 nan 0.000 0.447 133 G N -0.706 108.103 108.800 0.015 0.000 2.192 133 G HA2 -0.194 3.767 3.960 0.001 0.000 0.193 133 G HA3 -0.194 3.767 3.960 0.001 0.000 0.193 133 G C 0.361 175.269 174.900 0.013 0.000 0.999 133 G CA -0.183 44.924 45.100 0.011 0.000 0.659 133 G HN 0.416 nan 8.290 nan 0.000 0.503 134 A N 0.379 123.210 122.820 0.019 0.000 2.407 134 A HA 0.673 4.994 4.320 0.001 0.000 0.248 134 A C 0.593 178.191 177.584 0.023 0.000 1.082 134 A CA 1.085 53.135 52.037 0.022 0.000 0.785 134 A CB 0.414 19.433 19.000 0.032 0.000 1.020 134 A HN 0.680 nan 8.150 nan 0.000 0.489 135 T N 2.801 117.368 114.554 0.022 0.000 2.767 135 T HA 0.537 4.887 4.350 0.001 0.000 0.288 135 T C -0.191 174.526 174.700 0.029 0.000 0.963 135 T CA 0.234 62.348 62.100 0.023 0.000 1.019 135 T CB 0.027 68.906 68.868 0.018 0.000 0.923 135 T HN 0.408 nan 8.240 nan 0.000 0.468 136 I N 4.174 124.763 120.570 0.031 0.000 2.498 136 I HA 0.507 4.677 4.170 0.001 0.000 0.290 136 I C -0.172 175.965 176.117 0.035 0.000 1.032 136 I CA -1.044 60.278 61.300 0.037 0.000 1.073 136 I CB 2.019 40.044 38.000 0.042 0.000 1.251 136 I HN 0.563 nan 8.210 nan 0.000 0.426 137 K N 5.447 125.871 120.400 0.040 0.000 2.469 137 K HA 0.648 4.968 4.320 0.001 0.000 0.254 137 K C -1.641 174.989 176.600 0.050 0.000 0.939 137 K CA -0.942 55.368 56.287 0.038 0.000 0.812 137 K CB 2.810 35.330 32.500 0.033 0.000 1.301 137 K HN 0.381 nan 8.250 nan 0.000 0.433 138 L N 1.687 122.936 121.223 0.044 0.000 2.257 138 L HA 0.420 4.761 4.340 0.001 0.000 0.290 138 L C -0.955 175.949 176.870 0.057 0.000 1.044 138 L CA 0.557 55.428 54.840 0.051 0.000 0.810 138 L CB 0.691 42.769 42.059 0.031 0.000 1.193 138 L HN 0.918 nan 8.230 nan 0.000 0.425 139 E N 3.665 123.918 120.200 0.089 0.000 2.335 139 E HA 0.244 4.594 4.350 0.001 0.000 0.280 139 E C -0.709 175.976 176.600 0.141 0.000 0.918 139 E CA -0.420 56.031 56.400 0.084 0.000 0.765 139 E CB 1.161 30.899 29.700 0.063 0.000 1.218 139 E HN 0.699 nan 8.360 nan 0.000 0.425 140 E N 2.074 122.339 120.200 0.108 0.000 2.494 140 E HA -0.332 4.018 4.350 0.001 0.000 0.249 140 E C 0.651 177.338 176.600 0.144 0.000 1.184 140 E CA 0.697 57.180 56.400 0.139 0.000 0.727 140 E CB -1.519 28.302 29.700 0.202 0.000 1.281 140 E HN 1.033 nan 8.360 nan 0.000 0.405 141 G N -1.495 107.339 108.800 0.058 0.000 2.205 141 G HA2 -0.373 3.588 3.960 0.001 0.000 0.261 141 G HA3 -0.373 3.588 3.960 0.001 0.000 0.261 141 G C -0.095 174.712 174.900 -0.155 0.000 0.980 141 G CA 0.623 45.682 45.100 -0.067 0.000 0.632 141 G HN 0.320 nan 8.290 nan 0.000 0.533 142 Y N -0.252 120.050 120.300 0.003 0.000 2.387 142 Y HA 0.562 5.112 4.550 0.001 0.000 0.330 142 Y C 0.746 176.651 175.900 0.007 0.000 1.133 142 Y CA -0.952 57.155 58.100 0.011 0.000 1.152 142 Y CB 1.883 40.357 38.460 0.023 0.000 1.215 142 Y HN 0.037 nan 8.280 nan 0.000 0.466 143 V N 4.263 124.271 119.914 0.156 0.000 2.372 143 V HA 0.181 4.301 4.120 0.001 0.000 0.261 143 V C -0.357 175.818 176.094 0.135 0.000 1.055 143 V CA -0.797 61.566 62.300 0.106 0.000 0.930 143 V CB -0.212 31.640 31.823 0.048 0.000 1.031 143 V HN 0.613 nan 8.190 nan 0.000 0.479 144 K N 4.368 124.833 120.400 0.108 0.000 2.293 144 K HA 0.771 5.091 4.320 0.001 0.000 0.267 144 K C -0.296 176.343 176.600 0.064 0.000 1.010 144 K CA -0.235 56.104 56.287 0.086 0.000 0.875 144 K CB 2.048 34.585 32.500 0.062 0.000 1.106 144 K HN 0.717 nan 8.250 nan 0.000 0.450 145 A N 1.945 124.806 122.820 0.067 0.000 2.350 145 A HA 0.745 5.065 4.320 0.001 0.000 0.324 145 A C -0.592 177.018 177.584 0.043 0.000 1.118 145 A CA -0.620 51.450 52.037 0.056 0.000 0.783 145 A CB 1.143 20.182 19.000 0.065 0.000 1.236 145 A HN 0.698 nan 8.150 nan 0.000 0.457 146 S N -0.042 115.677 115.700 0.031 0.000 2.570 146 S HA 0.789 5.259 4.470 0.001 0.000 0.270 146 S C -1.286 173.321 174.600 0.011 0.000 1.149 146 S CA -0.569 57.641 58.200 0.017 0.000 0.837 146 S CB 1.354 64.562 63.200 0.014 0.000 1.124 146 S HN 2.052 nan 8.310 nan 0.000 0.465 147 V N 0.701 120.615 119.914 -0.000 0.000 2.969 147 V HA 0.563 4.684 4.120 0.001 0.000 0.304 147 V C -1.933 174.154 176.094 -0.011 0.000 1.192 147 V CA -0.581 61.717 62.300 -0.003 0.000 0.962 147 V CB 2.143 33.963 31.823 -0.004 0.000 1.045 147 V HN 1.134 nan 8.190 nan 0.000 0.428 148 D N 4.345 124.740 120.400 -0.007 0.000 2.339 148 D HA 0.620 5.260 4.640 0.001 0.000 0.241 148 D C 0.503 176.795 176.300 -0.013 0.000 1.183 148 D CA 1.985 55.980 54.000 -0.009 0.000 0.859 148 D CB 0.859 41.657 40.800 -0.004 0.000 1.067 148 D HN 1.351 nan 8.370 nan 0.000 0.484 149 G N 3.405 112.193 108.800 -0.019 0.000 2.584 149 G HA2 -0.212 3.748 3.960 0.001 0.000 0.229 149 G HA3 -0.212 3.748 3.960 0.001 0.000 0.229 149 G C -0.319 174.562 174.900 -0.032 0.000 1.320 149 G CA -0.807 44.279 45.100 -0.024 0.000 0.891 149 G HN 0.597 nan 8.290 nan 0.000 0.573 150 R N -0.459 120.022 120.500 -0.033 0.000 2.641 150 R HA 0.423 4.763 4.340 0.001 0.000 0.269 150 R C 1.043 177.327 176.300 -0.026 0.000 1.074 150 R CA -0.470 55.608 56.100 -0.038 0.000 1.133 150 R CB 0.174 30.452 30.300 -0.036 0.000 1.029 150 R HN 0.487 nan 8.270 nan 0.000 0.488 151 L N 1.440 122.647 121.223 -0.026 0.000 2.479 151 L HA 0.054 4.395 4.340 0.001 0.000 0.270 151 L C 0.523 177.384 176.870 -0.015 0.000 1.236 151 L CA 0.379 55.209 54.840 -0.015 0.000 0.823 151 L CB -0.044 42.009 42.059 -0.011 0.000 1.098 151 L HN 0.306 nan 8.230 nan 0.000 0.500 152 K N 0.349 120.744 120.400 -0.008 0.000 2.345 152 K HA 0.460 4.781 4.320 0.001 0.000 0.255 152 K C -0.282 176.315 176.600 -0.005 0.000 0.934 152 K CA -0.320 55.963 56.287 -0.008 0.000 0.801 152 K CB 1.784 34.282 32.500 -0.003 0.000 1.137 152 K HN 0.559 nan 8.250 nan 0.000 0.424 153 G N 1.777 110.571 108.800 -0.010 0.000 2.491 153 G HA2 0.497 4.458 3.960 0.001 0.000 0.242 153 G HA3 0.497 4.458 3.960 0.001 0.000 0.242 153 G C -0.859 174.042 174.900 0.002 0.000 1.266 153 G CA 0.028 45.122 45.100 -0.009 0.000 0.844 153 G HN 0.705 nan 8.290 nan 0.000 0.571 154 A N 0.978 123.803 122.820 0.009 0.000 2.527 154 A HA 0.670 4.990 4.320 0.001 0.000 0.293 154 A C -0.865 176.758 177.584 0.064 0.000 1.117 154 A CA -0.769 51.291 52.037 0.038 0.000 0.723 154 A CB 1.105 20.131 19.000 0.043 0.000 1.313 154 A HN 0.911 nan 8.150 nan 0.000 0.411 155 H N 0.495 119.561 119.070 -0.006 0.000 2.782 155 H HA 0.584 5.141 4.556 0.001 0.000 0.285 155 H C -0.985 174.340 175.328 -0.006 0.000 1.093 155 H CA -0.179 55.865 56.048 -0.006 0.000 1.410 155 H CB 0.164 29.922 29.762 -0.006 0.000 1.439 155 H HN 0.441 nan 8.280 nan 0.000 0.469 156 I N 6.421 127.161 120.570 0.284 0.000 2.410 156 I HA 0.134 4.304 4.170 0.001 0.000 0.286 156 I C -0.672 175.526 176.117 0.135 0.000 1.009 156 I CA -0.904 60.479 61.300 0.139 0.000 1.111 156 I CB 1.843 39.886 38.000 0.071 0.000 1.262 156 I HN 0.337 nan 8.210 nan 0.000 0.443 157 V N 7.070 127.023 119.914 0.066 0.000 2.348 157 V HA 0.306 4.426 4.120 0.001 0.000 0.270 157 V C 0.509 176.614 176.094 0.019 0.000 1.037 157 V CA -0.448 61.874 62.300 0.037 0.000 0.872 157 V CB 1.059 32.875 31.823 -0.012 0.000 1.002 157 V HN 0.686 nan 8.190 nan 0.000 0.464 158 M N 3.625 123.236 119.600 0.019 0.000 2.246 158 M HA 0.074 4.555 4.480 0.001 0.000 0.350 158 M C 1.479 177.778 176.300 -0.001 0.000 1.406 158 M CA 0.139 55.442 55.300 0.005 0.000 1.089 158 M CB 0.297 32.896 32.600 -0.002 0.000 1.782 158 M HN 0.730 nan 8.290 nan 0.000 0.457 159 D N 3.466 123.864 120.400 -0.003 0.000 2.149 159 D HA -0.102 4.538 4.640 0.001 0.000 0.198 159 D C -0.069 176.225 176.300 -0.010 0.000 0.990 159 D CA 1.411 55.408 54.000 -0.006 0.000 0.839 159 D CB 0.538 41.336 40.800 -0.003 0.000 0.948 159 D HN 0.556 nan 8.370 nan 0.000 0.460 160 K N -0.403 119.989 120.400 -0.013 0.000 2.482 160 K HA 0.373 4.693 4.320 0.001 0.000 0.257 160 K C -0.914 175.672 176.600 -0.023 0.000 0.969 160 K CA -0.943 55.332 56.287 -0.021 0.000 0.842 160 K CB 2.954 35.437 32.500 -0.029 0.000 1.359 160 K HN -0.283 nan 8.250 nan 0.000 0.441 161 V N 1.599 121.496 119.914 -0.028 0.000 2.529 161 V HA 0.132 4.252 4.120 0.001 0.000 0.292 161 V C 0.034 176.107 176.094 -0.036 0.000 1.028 161 V CA 0.230 62.514 62.300 -0.026 0.000 1.074 161 V CB 0.867 32.676 31.823 -0.023 0.000 0.958 161 V HN 0.749 nan 8.190 nan 0.000 0.481 162 S N 3.677 119.364 115.700 -0.021 0.000 2.668 162 S HA 0.371 4.841 4.470 0.001 0.000 0.277 162 S C 0.374 174.985 174.600 0.018 0.000 1.170 162 S CA -0.592 57.600 58.200 -0.013 0.000 0.994 162 S CB 1.824 65.007 63.200 -0.028 0.000 1.051 162 S HN 0.331 nan 8.310 nan 0.000 0.484 163 V N 5.213 125.163 119.914 0.060 0.000 2.255 163 V HA -0.065 4.055 4.120 0.001 0.000 0.247 163 V C 2.663 178.880 176.094 0.204 0.000 1.051 163 V CA 2.731 65.102 62.300 0.119 0.000 1.018 163 V CB -1.138 30.780 31.823 0.157 0.000 0.641 163 V HN 0.953 nan 8.190 nan 0.000 0.445 164 G N -0.980 107.975 108.800 0.259 0.000 2.408 164 G HA2 -0.109 3.852 3.960 0.001 0.000 0.217 164 G HA3 -0.109 3.852 3.960 0.001 0.000 0.217 164 G C 1.702 176.703 174.900 0.168 0.000 1.150 164 G CA 0.914 46.299 45.100 0.475 0.000 0.776 164 G HN 0.619 nan 8.290 nan 0.000 0.542 165 A N 0.287 122.907 122.820 -0.334 0.000 1.968 165 A HA 0.073 4.393 4.320 0.001 0.000 0.217 165 A C 2.484 179.966 177.584 -0.170 0.000 1.169 165 A CA 2.176 53.852 52.037 -0.603 0.000 0.638 165 A CB -0.767 17.908 19.000 -0.541 0.000 0.812 165 A HN 0.258 nan 8.150 nan 0.000 0.446 166 T N -0.088 114.430 114.554 -0.060 0.000 2.665 166 T HA -0.164 4.187 4.350 0.001 0.000 0.268 166 T C 1.865 176.561 174.700 -0.007 0.000 1.035 166 T CA 1.777 63.865 62.100 -0.019 0.000 1.151 166 T CB -0.458 68.409 68.868 -0.002 0.000 0.862 166 T HN 0.165 nan 8.240 nan 0.000 0.438 167 V N 1.273 121.206 119.914 0.032 0.000 2.295 167 V HA -0.195 3.926 4.120 0.001 0.000 0.246 167 V C 2.794 178.882 176.094 -0.011 0.000 1.049 167 V CA 2.043 64.309 62.300 -0.057 0.000 1.024 167 V CB -1.138 30.540 31.823 -0.243 0.000 0.648 167 V HN 0.525 nan 8.190 nan 0.000 0.447 168 T N 0.372 115.018 114.554 0.154 0.000 2.684 168 T HA -0.186 4.165 4.350 0.001 0.000 0.267 168 T C 1.780 176.529 174.700 0.081 0.000 1.036 168 T CA 2.077 64.293 62.100 0.193 0.000 1.148 168 T CB -0.306 68.729 68.868 0.278 0.000 0.863 168 T HN 0.364 nan 8.240 nan 0.000 0.436 169 I N 0.615 121.203 120.570 0.031 0.000 2.252 169 I HA -0.147 4.024 4.170 0.001 0.000 0.245 169 I C 2.575 178.692 176.117 0.001 0.000 1.102 169 I CA 1.182 62.491 61.300 0.015 0.000 1.385 169 I CB -0.391 37.608 38.000 -0.001 0.000 1.064 169 I HN 0.259 nan 8.210 nan 0.000 0.414 170 M N 0.246 119.838 119.600 -0.014 0.000 2.108 170 M HA -0.263 4.218 4.480 0.001 0.000 0.261 170 M C 2.506 178.789 176.300 -0.029 0.000 1.066 170 M CA 2.023 57.306 55.300 -0.029 0.000 1.107 170 M CB -0.213 32.361 32.600 -0.042 0.000 1.356 170 M HN 0.357 nan 8.290 nan 0.000 0.406 171 C N 0.529 119.815 119.300 -0.024 0.000 2.436 171 C HA -0.069 4.391 4.460 0.001 0.000 0.277 171 C C 3.024 178.016 174.990 0.002 0.000 1.241 171 C CA 1.067 60.077 59.018 -0.013 0.000 1.721 171 C CB -1.593 26.147 27.740 -0.000 0.000 2.043 171 C HN 0.754 nan 8.230 nan 0.000 0.472 172 A N 0.637 123.470 122.820 0.022 0.000 1.940 172 A HA 0.012 4.332 4.320 0.001 0.000 0.219 172 A C 2.338 179.919 177.584 -0.005 0.000 1.176 172 A CA 2.100 54.148 52.037 0.019 0.000 0.631 172 A CB -0.921 18.104 19.000 0.041 0.000 0.814 172 A HN 0.627 nan 8.150 nan 0.000 0.446 173 A N -0.126 122.688 122.820 -0.010 0.000 2.076 173 A HA -0.106 4.214 4.320 0.001 0.000 0.220 173 A C 2.300 179.863 177.584 -0.035 0.000 1.160 173 A CA 2.317 54.340 52.037 -0.022 0.000 0.653 173 A CB -1.402 17.583 19.000 -0.025 0.000 0.801 173 A HN 0.851 nan 8.150 nan 0.000 0.455 174 T N -2.332 112.198 114.554 -0.040 0.000 2.929 174 T HA 0.015 4.366 4.350 0.001 0.000 0.271 174 T C 1.232 175.897 174.700 -0.058 0.000 1.085 174 T CA 1.425 63.492 62.100 -0.054 0.000 1.125 174 T CB -0.308 68.520 68.868 -0.066 0.000 0.874 174 T HN 0.351 nan 8.240 nan 0.000 0.494 175 L N 0.229 121.420 121.223 -0.055 0.000 2.906 175 L HA 0.555 4.895 4.340 0.001 0.000 0.255 175 L C 1.214 178.052 176.870 -0.054 0.000 1.166 175 L CA -0.586 54.216 54.840 -0.063 0.000 0.977 175 L CB -0.072 41.937 42.059 -0.083 0.000 1.313 175 L HN 0.252 nan 8.230 nan 0.000 0.549 176 A N 0.474 123.269 122.820 -0.042 0.000 2.332 176 A HA 0.212 4.532 4.320 0.001 0.000 0.258 176 A C 0.169 177.732 177.584 -0.034 0.000 1.087 176 A CA -0.213 51.803 52.037 -0.034 0.000 0.802 176 A CB 0.361 19.347 19.000 -0.024 0.000 1.042 176 A HN 0.271 nan 8.150 nan 0.000 0.489 177 E N 0.332 120.515 120.200 -0.029 0.000 2.217 177 E HA 0.436 4.786 4.350 0.001 0.000 0.279 177 E C 0.708 177.295 176.600 -0.023 0.000 1.068 177 E CA 0.938 57.323 56.400 -0.026 0.000 0.882 177 E CB 0.081 29.768 29.700 -0.022 0.000 1.039 177 E HN 1.392 nan 8.360 nan 0.000 0.418 178 G N 3.064 111.849 108.800 -0.025 0.000 2.548 178 G HA2 -0.190 3.771 3.960 0.001 0.000 0.208 178 G HA3 -0.190 3.771 3.960 0.001 0.000 0.208 178 G C -0.579 174.302 174.900 -0.030 0.000 1.308 178 G CA -0.412 44.673 45.100 -0.024 0.000 0.924 178 G HN 0.541 nan 8.290 nan 0.000 0.540 179 T N 1.176 115.711 114.554 -0.032 0.000 2.794 179 T HA 0.670 5.021 4.350 0.001 0.000 0.280 179 T C 0.042 174.711 174.700 -0.051 0.000 0.987 179 T CA 0.200 62.273 62.100 -0.045 0.000 0.993 179 T CB 1.547 70.383 68.868 -0.053 0.000 0.939 179 T HN 0.739 nan 8.240 nan 0.000 0.449 180 T N 3.785 118.304 114.554 -0.058 0.000 2.794 180 T HA 0.590 4.941 4.350 0.001 0.000 0.280 180 T C -0.071 174.566 174.700 -0.105 0.000 0.987 180 T CA -0.499 61.564 62.100 -0.063 0.000 0.993 180 T CB 0.463 69.307 68.868 -0.039 0.000 0.939 180 T HN 0.412 nan 8.240 nan 0.000 0.449 181 I N 3.799 124.271 120.570 -0.162 0.000 2.389 181 I HA 0.444 4.614 4.170 0.001 0.000 0.288 181 I C -0.443 175.611 176.117 -0.105 0.000 0.999 181 I CA -0.785 60.375 61.300 -0.233 0.000 1.129 181 I CB 1.569 39.207 38.000 -0.605 0.000 1.288 181 I HN 0.465 nan 8.210 nan 0.000 0.444 182 I N 6.217 126.756 120.570 -0.051 0.000 2.307 182 I HA 0.256 4.426 4.170 0.001 0.000 0.289 182 I C 0.068 176.200 176.117 0.025 0.000 1.021 182 I CA -0.510 60.794 61.300 0.006 0.000 1.224 182 I CB 0.658 38.655 38.000 -0.006 0.000 1.376 182 I HN 0.487 nan 8.210 nan 0.000 0.470 183 E N 5.517 125.763 120.200 0.077 0.000 2.242 183 E HA 0.170 4.521 4.350 0.001 0.000 0.275 183 E C 0.151 176.775 176.600 0.041 0.000 1.002 183 E CA -0.543 55.902 56.400 0.074 0.000 0.841 183 E CB 1.388 31.160 29.700 0.121 0.000 1.109 183 E HN 0.631 nan 8.360 nan 0.000 0.394 184 N N 0.014 118.731 118.700 0.028 0.000 2.747 184 N HA -0.234 4.507 4.740 0.001 0.000 0.249 184 N C -0.638 174.878 175.510 0.010 0.000 1.107 184 N CA 0.163 53.222 53.050 0.014 0.000 0.707 184 N CB -0.390 38.102 38.487 0.009 0.000 1.054 184 N HN 0.581 nan 8.380 nan 0.000 0.555 185 A N 0.513 123.340 122.820 0.011 0.000 2.511 185 A HA 0.521 4.842 4.320 0.001 0.000 0.242 185 A C 0.970 178.562 177.584 0.012 0.000 1.069 185 A CA 0.511 52.552 52.037 0.007 0.000 0.763 185 A CB 0.423 19.425 19.000 0.004 0.000 1.001 185 A HN 0.587 nan 8.150 nan 0.000 0.498 186 A N 2.461 125.288 122.820 0.012 0.000 2.540 186 A HA 0.307 4.627 4.320 0.001 0.000 0.239 186 A C 1.060 178.665 177.584 0.034 0.000 1.061 186 A CA 0.131 52.184 52.037 0.026 0.000 0.758 186 A CB -0.039 18.979 19.000 0.029 0.000 0.991 186 A HN 0.868 nan 8.150 nan 0.000 0.502 187 R N 0.698 121.236 120.500 0.065 0.000 2.362 187 R HA 0.089 4.430 4.340 0.001 0.000 0.227 187 R C -0.435 175.920 176.300 0.091 0.000 0.905 187 R CA -0.222 55.934 56.100 0.093 0.000 1.067 187 R CB 0.197 30.581 30.300 0.140 0.000 1.078 187 R HN 0.786 nan 8.270 nan 0.000 0.516 188 E N 1.537 121.746 120.200 0.015 0.000 2.534 188 E HA -0.088 4.263 4.350 0.001 0.000 0.264 188 E C -1.679 174.779 176.600 -0.236 0.000 0.981 188 E CA -0.824 55.454 56.400 -0.203 0.000 0.948 188 E CB 0.420 30.063 29.700 -0.095 0.000 0.934 188 E HN -0.080 nan 8.360 nan 0.000 0.459 189 P HA -0.159 nan 4.420 nan 0.000 0.219 189 P C 0.249 177.482 177.300 -0.112 0.000 1.146 189 P CA 1.142 64.111 63.100 -0.217 0.000 0.808 189 P CB 0.297 31.851 31.700 -0.243 0.000 0.779 190 E N -0.922 119.212 120.200 -0.110 0.000 2.208 190 E HA -0.080 4.270 4.350 0.001 0.000 0.193 190 E C 1.894 178.447 176.600 -0.078 0.000 0.988 190 E CA 0.727 57.086 56.400 -0.070 0.000 0.828 190 E CB -0.853 28.818 29.700 -0.049 0.000 0.763 190 E HN 0.299 nan 8.360 nan 0.000 0.478 191 I N -0.131 120.397 120.570 -0.071 0.000 2.286 191 I HA -0.212 3.958 4.170 0.001 0.000 0.245 191 I C 1.932 178.017 176.117 -0.053 0.000 1.104 191 I CA 0.535 61.794 61.300 -0.067 0.000 1.397 191 I CB -0.186 37.790 38.000 -0.041 0.000 1.072 191 I HN -0.008 nan 8.210 nan 0.000 0.417 192 V N 0.778 120.670 119.914 -0.037 0.000 2.324 192 V HA -0.348 3.772 4.120 0.001 0.000 0.250 192 V C 2.173 178.271 176.094 0.005 0.000 1.060 192 V CA 2.301 64.593 62.300 -0.014 0.000 1.042 192 V CB -0.677 31.143 31.823 -0.004 0.000 0.650 192 V HN 0.419 nan 8.190 nan 0.000 0.450 193 D N -0.181 120.227 120.400 0.014 0.000 2.097 193 D HA -0.134 4.506 4.640 0.001 0.000 0.195 193 D C 2.303 178.581 176.300 -0.036 0.000 0.989 193 D CA 1.788 55.835 54.000 0.078 0.000 0.827 193 D CB -0.234 40.619 40.800 0.088 0.000 0.966 193 D HN 0.422 nan 8.370 nan 0.000 0.456 194 T N -0.032 114.474 114.554 -0.079 0.000 2.684 194 T HA -0.188 4.162 4.350 0.001 0.000 0.267 194 T C 1.944 176.599 174.700 -0.075 0.000 1.036 194 T CA 1.781 63.816 62.100 -0.107 0.000 1.148 194 T CB -0.582 68.187 68.868 -0.165 0.000 0.863 194 T HN 0.230 nan 8.240 nan 0.000 0.436 195 A N 2.604 125.378 122.820 -0.076 0.000 1.883 195 A HA -0.201 4.119 4.320 0.001 0.000 0.217 195 A C 2.236 179.761 177.584 -0.099 0.000 1.186 195 A CA 1.748 53.740 52.037 -0.075 0.000 0.624 195 A CB -0.701 18.268 19.000 -0.052 0.000 0.822 195 A HN 0.430 nan 8.150 nan 0.000 0.444 196 N N -1.064 117.586 118.700 -0.082 0.000 2.244 196 N HA -0.125 4.615 4.740 0.001 0.000 0.183 196 N C 1.386 176.704 175.510 -0.320 0.000 1.016 196 N CA 1.379 54.383 53.050 -0.077 0.000 0.866 196 N CB -0.632 37.936 38.487 0.134 0.000 0.980 196 N HN 0.570 nan 8.380 nan 0.000 0.430 197 F N 2.041 121.464 119.950 -0.878 0.000 2.069 197 F HA -0.106 4.421 4.527 0.001 0.000 0.298 197 F C 2.063 177.622 175.800 -0.402 0.000 1.113 197 F CA 1.187 58.608 58.000 -0.964 0.000 1.214 197 F CB -0.547 37.893 39.000 -0.934 0.000 0.978 197 F HN -0.089 nan 8.300 nan 0.000 0.474 198 L N 0.144 121.107 121.223 -0.433 0.000 2.043 198 L HA -0.283 4.058 4.340 0.001 0.000 0.212 198 L C 2.525 179.189 176.870 -0.344 0.000 1.075 198 L CA 1.721 56.310 54.840 -0.419 0.000 0.752 198 L CB -0.806 41.141 42.059 -0.187 0.000 0.891 198 L HN 0.238 nan 8.230 nan 0.000 0.432 199 I N -0.640 119.786 120.570 -0.241 0.000 2.286 199 I HA -0.264 3.906 4.170 0.001 0.000 0.248 199 I C 2.411 178.430 176.117 -0.163 0.000 1.115 199 I CA 1.422 62.626 61.300 -0.160 0.000 1.392 199 I CB -0.543 37.402 38.000 -0.093 0.000 1.065 199 I HN 0.278 nan 8.210 nan 0.000 0.418 200 T N 1.350 115.779 114.554 -0.208 0.000 2.803 200 T HA -0.113 4.237 4.350 0.001 0.000 0.269 200 T C 1.736 176.318 174.700 -0.197 0.000 1.052 200 T CA 1.142 63.151 62.100 -0.150 0.000 1.136 200 T CB -0.246 68.576 68.868 -0.076 0.000 0.864 200 T HN 0.319 nan 8.240 nan 0.000 0.467 201 L N 0.135 121.159 121.223 -0.331 0.000 2.599 201 L HA 0.278 4.618 4.340 0.001 0.000 0.230 201 L C 1.988 178.748 176.870 -0.183 0.000 1.141 201 L CA 0.512 55.179 54.840 -0.288 0.000 0.877 201 L CB -0.352 41.458 42.059 -0.415 0.000 1.009 201 L HN 0.522 nan 8.230 nan 0.000 0.447 202 G N -0.351 108.354 108.800 -0.158 0.000 2.192 202 G HA2 -0.169 3.791 3.960 0.001 0.000 0.193 202 G HA3 -0.169 3.791 3.960 0.001 0.000 0.193 202 G C 0.346 175.182 174.900 -0.107 0.000 0.999 202 G CA -0.171 44.863 45.100 -0.110 0.000 0.659 202 G HN 0.429 nan 8.290 nan 0.000 0.503 203 A N 0.100 122.840 122.820 -0.133 0.000 2.366 203 A HA 0.659 4.979 4.320 0.001 0.000 0.249 203 A C 0.464 177.996 177.584 -0.086 0.000 1.084 203 A CA 0.321 52.293 52.037 -0.109 0.000 0.794 203 A CB 0.379 19.305 19.000 -0.123 0.000 1.034 203 A HN 0.352 nan 8.150 nan 0.000 0.491 204 K N 1.322 121.680 120.400 -0.071 0.000 2.404 204 K HA 0.576 4.897 4.320 0.001 0.000 0.257 204 K C -1.455 175.111 176.600 -0.056 0.000 1.026 204 K CA 0.309 56.561 56.287 -0.058 0.000 0.951 204 K CB 0.898 33.368 32.500 -0.051 0.000 1.203 204 K HN 0.584 nan 8.250 nan 0.000 0.446 205 I N 0.863 121.401 120.570 -0.054 0.000 2.619 205 I HA 0.273 4.443 4.170 0.001 0.000 0.292 205 I C -0.630 175.463 176.117 -0.041 0.000 1.100 205 I CA -0.674 60.596 61.300 -0.051 0.000 1.043 205 I CB 2.316 40.282 38.000 -0.057 0.000 1.239 205 I HN 0.398 nan 8.210 nan 0.000 0.420 206 S N 2.608 118.285 115.700 -0.038 0.000 2.588 206 S HA 0.787 5.257 4.470 0.001 0.000 0.275 206 S C 0.305 174.889 174.600 -0.027 0.000 1.130 206 S CA 0.393 58.575 58.200 -0.029 0.000 0.855 206 S CB 1.874 65.057 63.200 -0.028 0.000 1.116 206 S HN 1.158 nan 8.310 nan 0.000 0.472 207 G N 1.882 110.671 108.800 -0.018 0.000 2.194 207 G HA2 -0.200 3.760 3.960 0.001 0.000 0.236 207 G HA3 -0.200 3.760 3.960 0.001 0.000 0.236 207 G C 0.065 174.960 174.900 -0.009 0.000 0.987 207 G CA 0.233 45.325 45.100 -0.014 0.000 0.635 207 G HN 1.071 nan 8.290 nan 0.000 0.520 208 Q N 0.574 120.367 119.800 -0.012 0.000 2.333 208 Q HA 0.363 4.703 4.340 0.001 0.000 0.299 208 Q C 1.287 177.291 176.000 0.005 0.000 1.067 208 Q CA 1.200 56.998 55.803 -0.008 0.000 0.943 208 Q CB 0.742 29.471 28.738 -0.016 0.000 1.233 208 Q HN 1.882 nan 8.270 nan 0.000 0.401 209 G N 1.991 110.799 108.800 0.013 0.000 2.253 209 G HA2 -0.333 3.628 3.960 0.001 0.000 0.251 209 G HA3 -0.333 3.628 3.960 0.001 0.000 0.251 209 G C 0.310 175.234 174.900 0.040 0.000 0.998 209 G CA 0.666 45.788 45.100 0.036 0.000 0.621 209 G HN 1.210 nan 8.290 nan 0.000 0.524 210 T N -1.599 112.968 114.554 0.022 0.000 2.937 210 T HA 0.538 4.888 4.350 0.001 0.000 0.283 210 T C 0.956 175.665 174.700 0.016 0.000 1.012 210 T CA 0.666 62.777 62.100 0.018 0.000 0.997 210 T CB 1.645 70.518 68.868 0.009 0.000 1.136 210 T HN 0.312 nan 8.240 nan 0.000 0.551 211 D N -0.910 119.498 120.400 0.013 0.000 2.352 211 D HA 0.031 4.671 4.640 0.001 0.000 0.232 211 D C 0.603 176.909 176.300 0.011 0.000 1.055 211 D CA 0.062 54.069 54.000 0.013 0.000 0.891 211 D CB -0.073 40.734 40.800 0.012 0.000 0.897 211 D HN 0.576 nan 8.370 nan 0.000 0.529 212 R N 0.433 120.936 120.500 0.005 0.000 2.514 212 R HA 0.486 4.827 4.340 0.001 0.000 0.296 212 R C -1.400 174.891 176.300 -0.015 0.000 1.012 212 R CA -0.675 55.424 56.100 -0.002 0.000 0.897 212 R CB 0.988 31.288 30.300 -0.001 0.000 1.184 212 R HN 0.009 nan 8.270 nan 0.000 0.440 213 I N 4.441 124.998 120.570 -0.023 0.000 2.412 213 I HA 0.388 4.559 4.170 0.001 0.000 0.296 213 I C -0.393 175.693 176.117 -0.053 0.000 0.987 213 I CA -1.196 60.084 61.300 -0.033 0.000 1.180 213 I CB 2.100 40.083 38.000 -0.029 0.000 1.340 213 I HN 0.232 nan 8.210 nan 0.000 0.455 214 V N 6.965 126.846 119.914 -0.055 0.000 2.448 214 V HA 0.479 4.599 4.120 0.001 0.000 0.295 214 V C -0.348 175.711 176.094 -0.058 0.000 1.025 214 V CA -0.493 61.765 62.300 -0.070 0.000 0.859 214 V CB 1.791 33.572 31.823 -0.071 0.000 0.988 214 V HN 0.428 nan 8.190 nan 0.000 0.431 215 I N 3.510 124.044 120.570 -0.061 0.000 2.436 215 I HA 0.446 4.617 4.170 0.001 0.000 0.289 215 I C -0.065 176.020 176.117 -0.053 0.000 1.010 215 I CA -0.268 61.000 61.300 -0.054 0.000 1.098 215 I CB 1.873 39.843 38.000 -0.050 0.000 1.266 215 I HN 0.658 nan 8.210 nan 0.000 0.434 216 E N 4.622 124.792 120.200 -0.050 0.000 2.134 216 E HA 0.552 4.902 4.350 0.001 0.000 0.278 216 E C 0.074 176.646 176.600 -0.046 0.000 0.959 216 E CA -0.719 55.653 56.400 -0.046 0.000 0.783 216 E CB 1.216 30.890 29.700 -0.042 0.000 1.095 216 E HN 0.831 nan 8.360 nan 0.000 0.399 217 G N 2.649 111.423 108.800 -0.043 0.000 2.432 217 G HA2 0.320 4.281 3.960 0.001 0.000 0.239 217 G HA3 0.320 4.281 3.960 0.001 0.000 0.239 217 G C 0.058 174.930 174.900 -0.046 0.000 1.291 217 G CA -0.047 45.026 45.100 -0.045 0.000 0.863 217 G HN 0.440 nan 8.290 nan 0.000 0.560 218 V N -0.459 119.424 119.914 -0.052 0.000 3.103 218 V HA 0.560 4.681 4.120 0.001 0.000 0.318 218 V C 0.944 177.005 176.094 -0.055 0.000 1.114 218 V CA -0.738 61.531 62.300 -0.052 0.000 1.020 218 V CB 2.051 33.839 31.823 -0.058 0.000 1.085 218 V HN 0.699 nan 8.190 nan 0.000 0.446 219 E N 0.260 120.430 120.200 -0.051 0.000 2.152 219 E HA 0.049 4.399 4.350 0.001 0.000 0.192 219 E C 0.675 177.236 176.600 -0.065 0.000 0.983 219 E CA 0.690 57.058 56.400 -0.054 0.000 0.818 219 E CB 0.372 30.046 29.700 -0.044 0.000 0.758 219 E HN 0.611 nan 8.360 nan 0.000 0.467 220 R N -0.255 120.207 120.500 -0.064 0.000 2.594 220 R HA 0.300 4.641 4.340 0.001 0.000 0.265 220 R C -1.504 174.752 176.300 -0.073 0.000 1.070 220 R CA -0.455 55.602 56.100 -0.071 0.000 0.909 220 R CB 0.912 31.178 30.300 -0.057 0.000 1.243 220 R HN -0.076 nan 8.270 nan 0.000 0.455 221 L N 2.425 123.599 121.223 -0.081 0.000 2.343 221 L HA 0.576 4.916 4.340 0.001 0.000 0.275 221 L C 1.120 177.944 176.870 -0.076 0.000 1.056 221 L CA -0.630 54.154 54.840 -0.092 0.000 0.804 221 L CB 1.684 43.673 42.059 -0.116 0.000 1.203 221 L HN 0.878 nan 8.230 nan 0.000 0.440 222 G N 0.549 109.298 108.800 -0.085 0.000 2.882 222 G HA2 0.630 4.591 3.960 0.001 0.000 0.164 222 G HA3 0.630 4.591 3.960 0.001 0.000 0.164 222 G C -0.199 174.662 174.900 -0.065 0.000 1.429 222 G CA 0.082 45.145 45.100 -0.061 0.000 1.059 222 G HN 0.750 nan 8.290 nan 0.000 0.581 223 G N -2.929 105.843 108.800 -0.046 0.000 3.140 223 G HA2 0.755 4.715 3.960 0.001 0.000 0.271 223 G HA3 0.755 4.715 3.960 0.001 0.000 0.271 223 G C -0.363 174.520 174.900 -0.027 0.000 1.370 223 G CA -0.002 45.086 45.100 -0.021 0.000 1.014 223 G HN 1.743 nan 8.290 nan 0.000 0.541 224 G N -2.628 106.188 108.800 0.027 0.000 2.327 224 G HA2 0.517 4.477 3.960 0.001 0.000 0.291 224 G HA3 0.517 4.477 3.960 0.001 0.000 0.291 224 G C -2.030 172.938 174.900 0.114 0.000 1.290 224 G CA -0.027 45.102 45.100 0.049 0.000 0.857 224 G HN 1.241 nan 8.290 nan 0.000 0.520 225 V N 0.318 120.307 119.914 0.126 0.000 2.540 225 V HA 0.764 4.884 4.120 0.001 0.000 0.302 225 V C -1.176 175.060 176.094 0.238 0.000 1.035 225 V CA -0.601 61.786 62.300 0.144 0.000 0.873 225 V CB 1.487 33.356 31.823 0.077 0.000 0.992 225 V HN 0.913 nan 8.190 nan 0.000 0.428 226 Y N 3.865 124.227 120.300 0.104 0.000 2.479 226 Y HA 0.571 5.121 4.550 0.000 0.000 0.338 226 Y C -0.348 175.572 175.900 0.033 0.000 1.055 226 Y CA -0.796 57.373 58.100 0.116 0.000 1.023 226 Y CB 1.669 40.322 38.460 0.321 0.000 1.287 226 Y HN 0.626 nan 8.280 nan 0.000 0.447 227 R N 5.118 125.288 120.500 -0.549 0.000 2.294 227 R HA 0.620 4.960 4.340 0.001 0.000 0.319 227 R C -1.399 174.700 176.300 -0.335 0.000 0.984 227 R CA -0.569 55.332 56.100 -0.331 0.000 0.861 227 R CB 0.964 31.108 30.300 -0.260 0.000 1.104 227 R HN 0.602 nan 8.270 nan 0.000 0.451 228 V N 6.457 126.315 119.914 -0.093 0.000 2.637 228 V HA 0.039 4.159 4.120 0.001 0.000 0.296 228 V C 0.936 177.010 176.094 -0.034 0.000 1.046 228 V CA -0.254 62.044 62.300 -0.003 0.000 1.066 228 V CB 0.766 32.583 31.823 -0.010 0.000 0.968 228 V HN 0.693 nan 8.190 nan 0.000 0.483 229 L N 5.347 126.570 121.223 -0.000 0.000 2.476 229 L HA 0.493 4.833 4.340 0.001 0.000 0.264 229 L C -2.349 174.515 176.870 -0.011 0.000 1.224 229 L CA -1.462 53.370 54.840 -0.014 0.000 0.821 229 L CB 0.019 42.079 42.059 0.002 0.000 1.101 229 L HN 0.357 nan 8.230 nan 0.000 0.488 230 P HA -0.026 nan 4.420 nan 0.000 0.267 230 P C -1.125 176.179 177.300 0.006 0.000 1.200 230 P CA 0.052 63.156 63.100 0.006 0.000 0.772 230 P CB 0.320 32.029 31.700 0.014 0.000 0.855 231 D N 2.345 122.754 120.400 0.015 0.000 2.346 231 D HA -0.015 4.625 4.640 0.001 0.000 0.260 231 D C 1.377 177.689 176.300 0.021 0.000 1.252 231 D CA 0.026 54.029 54.000 0.005 0.000 0.895 231 D CB 0.545 41.343 40.800 -0.004 0.000 1.097 231 D HN 0.348 nan 8.370 nan 0.000 0.489 232 R N 3.952 124.452 120.500 -0.000 0.000 2.115 232 R HA -0.101 4.239 4.340 0.001 0.000 0.230 232 R C 1.384 177.694 176.300 0.017 0.000 1.111 232 R CA 0.638 56.743 56.100 0.008 0.000 0.976 232 R CB -0.081 30.209 30.300 -0.017 0.000 0.870 232 R HN 0.334 nan 8.270 nan 0.000 0.445 233 I N 1.676 122.242 120.570 -0.007 0.000 2.333 233 I HA -0.101 4.069 4.170 0.001 0.000 0.246 233 I C 2.503 178.646 176.117 0.042 0.000 1.106 233 I CA 1.104 62.404 61.300 -0.001 0.000 1.411 233 I CB -1.260 36.716 38.000 -0.039 0.000 1.082 233 I HN 0.352 nan 8.210 nan 0.000 0.420 234 E N 1.134 121.342 120.200 0.014 0.000 2.085 234 E HA -0.207 4.143 4.350 0.001 0.000 0.194 234 E C 1.989 178.758 176.600 0.283 0.000 0.994 234 E CA 2.125 58.614 56.400 0.148 0.000 0.801 234 E CB 0.179 29.976 29.700 0.162 0.000 0.743 234 E HN 0.431 nan 8.360 nan 0.000 0.453 235 T N -0.103 114.581 114.554 0.217 0.000 2.622 235 T HA -0.175 4.175 4.350 0.001 0.000 0.266 235 T C 1.813 176.640 174.700 0.212 0.000 1.047 235 T CA 1.450 63.688 62.100 0.229 0.000 1.159 235 T CB -0.963 67.991 68.868 0.143 0.000 0.863 235 T HN 0.429 nan 8.240 nan 0.000 0.422 236 G N 1.168 110.058 108.800 0.150 0.000 2.469 236 G HA2 -0.275 3.686 3.960 0.001 0.000 0.219 236 G HA3 -0.275 3.686 3.960 0.001 0.000 0.219 236 G C 1.713 176.705 174.900 0.153 0.000 1.150 236 G CA 1.674 46.871 45.100 0.160 0.000 0.763 236 G HN 0.501 nan 8.290 nan 0.000 0.561 237 T N 0.979 115.596 114.554 0.105 0.000 2.746 237 T HA -0.086 4.264 4.350 0.001 0.000 0.267 237 T C 2.051 176.683 174.700 -0.114 0.000 1.039 237 T CA 1.196 63.283 62.100 -0.022 0.000 1.142 237 T CB -0.321 68.503 68.868 -0.073 0.000 0.866 237 T HN 0.221 nan 8.240 nan 0.000 0.444 238 F N 1.163 121.174 119.950 0.101 0.000 2.186 238 F HA 0.108 4.635 4.527 0.001 0.000 0.299 238 F C 2.117 177.944 175.800 0.045 0.000 1.090 238 F CA 0.467 58.504 58.000 0.061 0.000 1.307 238 F CB -0.828 38.214 39.000 0.069 0.000 1.019 238 F HN 0.076 nan 8.300 nan 0.000 0.489 239 L N -0.860 120.509 121.223 0.244 0.000 2.042 239 L HA -0.232 4.108 4.340 0.001 0.000 0.210 239 L C 2.352 179.266 176.870 0.074 0.000 1.076 239 L CA 0.811 55.741 54.840 0.150 0.000 0.749 239 L CB -1.005 41.146 42.059 0.153 0.000 0.893 239 L HN -0.035 nan 8.230 nan 0.000 0.432 240 V N 0.096 120.032 119.914 0.036 0.000 2.343 240 V HA -0.294 3.827 4.120 0.001 0.000 0.247 240 V C 2.814 178.876 176.094 -0.053 0.000 1.051 240 V CA 1.711 63.966 62.300 -0.075 0.000 1.036 240 V CB -0.946 30.801 31.823 -0.126 0.000 0.654 240 V HN 0.489 nan 8.190 nan 0.000 0.451 241 A N 0.174 122.987 122.820 -0.012 0.000 1.892 241 A HA -0.237 4.084 4.320 0.001 0.000 0.218 241 A C 2.418 180.015 177.584 0.022 0.000 1.188 241 A CA 2.558 54.598 52.037 0.006 0.000 0.631 241 A CB -0.830 18.206 19.000 0.060 0.000 0.822 241 A HN 0.600 nan 8.150 nan 0.000 0.447 242 A N -0.528 122.322 122.820 0.050 0.000 1.897 242 A HA 0.252 4.573 4.320 0.001 0.000 0.215 242 A C 2.526 180.109 177.584 -0.000 0.000 1.181 242 A CA 1.922 53.976 52.037 0.028 0.000 0.620 242 A CB -1.039 17.986 19.000 0.042 0.000 0.821 242 A HN 1.096 nan 8.150 nan 0.000 0.443 243 A N 0.886 123.700 122.820 -0.010 0.000 1.883 243 A HA -0.139 4.181 4.320 0.001 0.000 0.217 243 A C 2.108 179.663 177.584 -0.049 0.000 1.186 243 A CA 1.655 53.673 52.037 -0.033 0.000 0.624 243 A CB -0.871 18.092 19.000 -0.062 0.000 0.822 243 A HN 0.995 nan 8.150 nan 0.000 0.444 244 I N -1.852 118.679 120.570 -0.064 0.000 2.830 244 I HA -0.043 4.128 4.170 0.001 0.000 0.263 244 I C 1.689 177.783 176.117 -0.038 0.000 1.230 244 I CA 1.612 62.876 61.300 -0.061 0.000 1.480 244 I CB -0.207 37.751 38.000 -0.071 0.000 1.095 244 I HN 0.309 nan 8.210 nan 0.000 0.455 245 S N 0.756 116.440 115.700 -0.028 0.000 2.572 245 S HA 0.293 4.764 4.470 0.001 0.000 0.228 245 S C 0.864 175.454 174.600 -0.016 0.000 0.963 245 S CA -0.619 57.569 58.200 -0.020 0.000 0.939 245 S CB -0.252 62.940 63.200 -0.013 0.000 0.804 245 S HN 0.596 nan 8.310 nan 0.000 0.480 246 R N -0.096 120.394 120.500 -0.017 0.000 3.651 246 R HA -0.129 4.212 4.340 0.001 0.000 0.292 246 R C 0.722 177.010 176.300 -0.020 0.000 1.161 246 R CA 0.447 56.540 56.100 -0.013 0.000 0.787 246 R CB -2.444 27.852 30.300 -0.007 0.000 1.249 246 R HN 0.622 nan 8.270 nan 0.000 0.476 247 G N 0.835 109.622 108.800 -0.022 0.000 2.782 247 G HA2 0.594 4.554 3.960 0.001 0.000 0.201 247 G HA3 0.594 4.554 3.960 0.001 0.000 0.201 247 G C -0.446 174.423 174.900 -0.051 0.000 1.374 247 G CA -0.144 44.938 45.100 -0.030 0.000 1.039 247 G HN 0.170 nan 8.290 nan 0.000 0.576 248 K N -1.806 118.568 120.400 -0.042 0.000 2.557 248 K HA 0.678 4.998 4.320 0.001 0.000 0.261 248 K C -1.987 174.603 176.600 -0.018 0.000 0.932 248 K CA -0.800 55.460 56.287 -0.044 0.000 0.829 248 K CB 2.242 34.688 32.500 -0.091 0.000 1.358 248 K HN 0.516 nan 8.250 nan 0.000 0.430 249 I N 3.384 123.956 120.570 0.005 0.000 2.802 249 I HA 0.500 4.671 4.170 0.001 0.000 0.298 249 I C -1.656 174.483 176.117 0.037 0.000 1.176 249 I CA -1.278 60.032 61.300 0.016 0.000 1.025 249 I CB 1.845 39.871 38.000 0.043 0.000 1.243 249 I HN 0.742 nan 8.210 nan 0.000 0.424 250 I N 5.594 126.175 120.570 0.018 0.000 2.441 250 I HA 0.362 4.533 4.170 0.001 0.000 0.295 250 I C -0.910 175.238 176.117 0.051 0.000 0.994 250 I CA -0.554 60.783 61.300 0.062 0.000 1.144 250 I CB 1.683 39.680 38.000 -0.004 0.000 1.314 250 I HN 0.447 nan 8.210 nan 0.000 0.445 251 C N 5.948 125.322 119.300 0.123 0.000 2.251 251 C HA 0.467 4.927 4.460 0.001 0.000 0.323 251 C C 0.619 175.697 174.990 0.147 0.000 1.241 251 C CA -0.690 58.387 59.018 0.097 0.000 1.601 251 C CB -0.293 27.522 27.740 0.125 0.000 2.251 251 C HN 0.730 nan 8.230 nan 0.000 0.488 252 R N 1.808 122.358 120.500 0.082 0.000 2.549 252 R HA 0.298 4.639 4.340 0.001 0.000 0.267 252 R C 0.532 176.878 176.300 0.077 0.000 1.045 252 R CA -0.355 55.805 56.100 0.100 0.000 1.115 252 R CB 0.380 30.701 30.300 0.035 0.000 1.121 252 R HN 0.845 nan 8.270 nan 0.000 0.543 253 N N -0.844 117.906 118.700 0.084 0.000 2.727 253 N HA -0.233 4.507 4.740 0.001 0.000 0.249 253 N C -0.993 174.549 175.510 0.054 0.000 1.048 253 N CA 0.279 53.363 53.050 0.057 0.000 0.714 253 N CB -0.537 37.969 38.487 0.032 0.000 0.959 253 N HN 0.588 nan 8.380 nan 0.000 0.544 254 A N 0.543 123.405 122.820 0.070 0.000 2.269 254 A HA 0.553 4.874 4.320 0.001 0.000 0.327 254 A C 0.164 177.757 177.584 0.016 0.000 1.112 254 A CA -0.334 51.733 52.037 0.050 0.000 0.865 254 A CB 1.280 20.318 19.000 0.064 0.000 1.227 254 A HN 0.299 nan 8.150 nan 0.000 0.498 255 Q N 0.528 120.329 119.800 0.002 0.000 2.674 255 Q HA 0.343 4.684 4.340 0.001 0.000 0.249 255 Q C -2.252 173.732 176.000 -0.026 0.000 1.011 255 Q CA -1.825 53.967 55.803 -0.018 0.000 0.734 255 Q CB 1.229 29.960 28.738 -0.013 0.000 1.201 255 Q HN 0.431 nan 8.270 nan 0.000 0.498 256 P HA -0.164 nan 4.420 nan 0.000 0.220 256 P C 0.452 177.734 177.300 -0.030 0.000 1.148 256 P CA 1.247 64.311 63.100 -0.059 0.000 0.803 256 P CB 0.216 31.835 31.700 -0.134 0.000 0.782 257 D N -1.078 119.306 120.400 -0.025 0.000 2.350 257 D HA -0.131 4.509 4.640 0.001 0.000 0.216 257 D C 1.256 177.581 176.300 0.042 0.000 0.968 257 D CA 1.403 55.404 54.000 0.003 0.000 0.894 257 D CB -1.607 39.195 40.800 0.005 0.000 0.909 257 D HN 0.210 nan 8.370 nan 0.000 0.520 258 T N -2.402 112.172 114.554 0.034 0.000 3.148 258 T HA 0.130 4.480 4.350 0.001 0.000 0.253 258 T C 1.308 176.062 174.700 0.091 0.000 1.134 258 T CA -0.029 62.109 62.100 0.064 0.000 1.051 258 T CB -0.322 68.543 68.868 -0.006 0.000 0.959 258 T HN 0.211 nan 8.240 nan 0.000 0.525 259 L N 0.583 121.836 121.223 0.050 0.000 3.168 259 L HA 0.346 4.686 4.340 0.001 0.000 0.277 259 L C 0.954 177.832 176.870 0.014 0.000 1.245 259 L CA -0.310 54.545 54.840 0.025 0.000 1.035 259 L CB 0.420 42.493 42.059 0.023 0.000 1.399 259 L HN -0.013 nan 8.230 nan 0.000 0.580 260 D N 1.558 121.967 120.400 0.015 0.000 2.126 260 D HA -0.247 4.394 4.640 0.001 0.000 0.190 260 D C 2.171 178.474 176.300 0.005 0.000 1.001 260 D CA 1.863 55.864 54.000 0.001 0.000 0.841 260 D CB 0.124 40.915 40.800 -0.015 0.000 0.949 260 D HN 0.381 nan 8.370 nan 0.000 0.446 261 A N 0.667 123.476 122.820 -0.017 0.000 1.877 261 A HA -0.144 4.177 4.320 0.001 0.000 0.216 261 A C 2.618 180.233 177.584 0.051 0.000 1.186 261 A CA 1.550 53.596 52.037 0.016 0.000 0.620 261 A CB -0.877 18.126 19.000 0.005 0.000 0.822 261 A HN 0.150 nan 8.150 nan 0.000 0.443 262 V N 0.330 120.213 119.914 -0.051 0.000 2.282 262 V HA -0.299 3.821 4.120 0.001 0.000 0.249 262 V C 2.589 178.777 176.094 0.157 0.000 1.057 262 V CA 2.129 64.420 62.300 -0.014 0.000 1.032 262 V CB -0.810 30.966 31.823 -0.078 0.000 0.645 262 V HN 0.576 nan 8.190 nan 0.000 0.447 263 L N -0.135 121.152 121.223 0.107 0.000 2.083 263 L HA -0.148 4.193 4.340 0.001 0.000 0.209 263 L C 2.755 179.700 176.870 0.125 0.000 1.083 263 L CA 1.475 56.388 54.840 0.121 0.000 0.752 263 L CB -0.887 41.214 42.059 0.070 0.000 0.899 263 L HN 0.380 nan 8.230 nan 0.000 0.433 264 A N 0.021 122.901 122.820 0.100 0.000 1.908 264 A HA -0.248 4.072 4.320 0.001 0.000 0.218 264 A C 2.285 179.948 177.584 0.132 0.000 1.181 264 A CA 1.831 53.926 52.037 0.096 0.000 0.627 264 A CB -0.362 18.678 19.000 0.067 0.000 0.818 264 A HN 0.158 nan 8.150 nan 0.000 0.445 265 K N -0.287 120.219 120.400 0.176 0.000 2.148 265 K HA 0.102 4.422 4.320 0.001 0.000 0.204 265 K C 1.719 178.534 176.600 0.357 0.000 1.050 265 K CA 0.922 57.352 56.287 0.239 0.000 0.942 265 K CB -0.450 32.169 32.500 0.199 0.000 0.724 265 K HN 0.540 nan 8.250 nan 0.000 0.446 266 L N -0.157 121.283 121.223 0.362 0.000 2.072 266 L HA -0.090 4.250 4.340 0.001 0.000 0.205 266 L C 2.215 179.189 176.870 0.173 0.000 1.079 266 L CA 1.007 56.020 54.840 0.287 0.000 0.752 266 L CB -0.276 41.940 42.059 0.261 0.000 0.906 266 L HN 0.108 nan 8.230 nan 0.000 0.436 267 R N 0.246 120.834 120.500 0.147 0.000 2.103 267 R HA -0.190 4.151 4.340 0.001 0.000 0.242 267 R C 1.794 178.154 176.300 0.101 0.000 1.142 267 R CA 1.686 57.852 56.100 0.110 0.000 0.960 267 R CB -0.642 29.711 30.300 0.089 0.000 0.858 267 R HN 0.399 nan 8.270 nan 0.000 0.439 268 D N 0.855 121.321 120.400 0.110 0.000 2.182 268 D HA -0.148 4.492 4.640 0.001 0.000 0.201 268 D C 1.558 177.915 176.300 0.095 0.000 0.986 268 D CA 1.493 55.550 54.000 0.096 0.000 0.847 268 D CB -0.159 40.698 40.800 0.096 0.000 0.942 268 D HN 0.318 nan 8.370 nan 0.000 0.467 269 A N -0.334 122.555 122.820 0.116 0.000 2.235 269 A HA 0.385 4.705 4.320 0.001 0.000 0.208 269 A C 1.771 179.393 177.584 0.064 0.000 1.172 269 A CA 1.119 53.208 52.037 0.086 0.000 0.786 269 A CB -0.118 18.930 19.000 0.081 0.000 0.804 269 A HN 0.283 nan 8.150 nan 0.000 0.479 270 G N -2.411 106.433 108.800 0.074 0.000 2.163 270 G HA2 0.153 4.114 3.960 0.001 0.000 0.213 270 G HA3 0.153 4.114 3.960 0.001 0.000 0.213 270 G C 0.316 175.269 174.900 0.088 0.000 0.991 270 G CA 0.110 45.253 45.100 0.071 0.000 0.653 270 G HN 1.502 nan 8.290 nan 0.000 0.518 271 A N 0.061 122.935 122.820 0.091 0.000 2.354 271 A HA 0.587 4.907 4.320 0.001 0.000 0.269 271 A C 0.066 177.723 177.584 0.121 0.000 1.109 271 A CA 0.387 52.483 52.037 0.098 0.000 0.800 271 A CB 0.648 19.700 19.000 0.086 0.000 1.045 271 A HN 0.429 nan 8.150 nan 0.000 0.489 272 D N 2.094 122.586 120.400 0.152 0.000 2.411 272 D HA 0.439 5.080 4.640 0.001 0.000 0.225 272 D C -0.597 175.786 176.300 0.138 0.000 1.156 272 D CA 0.188 54.295 54.000 0.180 0.000 0.874 272 D CB -0.032 40.980 40.800 0.353 0.000 1.034 272 D HN 0.355 nan 8.370 nan 0.000 0.502 273 I N 3.064 123.706 120.570 0.120 0.000 2.441 273 I HA 0.336 4.506 4.170 0.001 0.000 0.295 273 I C 0.335 176.516 176.117 0.108 0.000 0.994 273 I CA -0.700 60.665 61.300 0.109 0.000 1.144 273 I CB 1.609 39.663 38.000 0.090 0.000 1.314 273 I HN 0.283 nan 8.210 nan 0.000 0.445 274 E N 4.873 125.156 120.200 0.138 0.000 2.336 274 E HA 0.670 5.020 4.350 0.001 0.000 0.267 274 E C -1.404 175.154 176.600 -0.069 0.000 0.906 274 E CA -0.914 55.551 56.400 0.108 0.000 0.781 274 E CB 3.128 32.992 29.700 0.273 0.000 1.261 274 E HN 0.366 nan 8.360 nan 0.000 0.436 275 V N -1.633 118.079 119.914 -0.336 0.000 2.789 275 V HA 0.924 5.045 4.120 0.001 0.000 0.311 275 V C -0.092 175.269 176.094 -1.222 0.000 1.073 275 V CA -0.441 61.406 62.300 -0.755 0.000 0.921 275 V CB 1.413 33.006 31.823 -0.383 0.000 1.009 275 V HN 0.774 nan 8.190 nan 0.000 0.426 276 G N 1.445 108.955 108.800 -2.150 0.000 3.119 276 G HA2 0.447 4.407 3.960 0.001 0.000 0.206 276 G HA3 0.447 4.407 3.960 0.001 0.000 0.206 276 G C 0.152 174.634 174.900 -0.698 0.000 1.313 276 G CA 0.125 44.426 45.100 -1.333 0.000 1.010 276 G HN 0.791 nan 8.290 nan 0.000 0.578 277 E N -0.381 119.630 120.200 -0.316 0.000 2.152 277 E HA -0.090 4.260 4.350 0.001 0.000 0.192 277 E C 0.451 176.984 176.600 -0.111 0.000 0.983 277 E CA 1.427 57.742 56.400 -0.142 0.000 0.818 277 E CB 0.256 29.945 29.700 -0.018 0.000 0.758 277 E HN 0.522 nan 8.360 nan 0.000 0.467 278 D N -1.274 119.083 120.400 -0.072 0.000 2.712 278 D HA -0.002 4.639 4.640 0.001 0.000 0.300 278 D C -0.341 176.038 176.300 0.133 0.000 1.521 278 D CA -0.447 53.571 54.000 0.029 0.000 0.790 278 D CB -0.756 40.096 40.800 0.087 0.000 1.155 278 D HN 0.163 nan 8.370 nan 0.000 0.456 279 W N 0.154 121.459 121.300 0.009 0.000 3.213 279 W HA 0.658 5.318 4.660 0.000 0.000 0.318 279 W C -2.125 174.405 176.519 0.019 0.000 1.248 279 W CA -1.310 56.041 57.345 0.010 0.000 1.187 279 W CB 0.374 29.836 29.460 0.003 0.000 1.403 279 W HN -0.277 nan 8.180 nan 0.000 0.556 280 I N 3.076 123.805 120.570 0.264 0.000 2.569 280 I HA 0.315 4.486 4.170 0.001 0.000 0.290 280 I C -0.097 176.235 176.117 0.358 0.000 1.088 280 I CA -0.762 60.635 61.300 0.161 0.000 1.047 280 I CB 2.486 40.529 38.000 0.070 0.000 1.237 280 I HN 0.427 nan 8.210 nan 0.000 0.421 281 S N 6.661 122.603 115.700 0.403 0.000 2.501 281 S HA 0.831 5.302 4.470 0.001 0.000 0.301 281 S C -0.890 173.818 174.600 0.180 0.000 1.096 281 S CA -0.771 57.605 58.200 0.294 0.000 1.063 281 S CB 2.313 65.693 63.200 0.300 0.000 1.042 281 S HN 0.623 nan 8.310 nan 0.000 0.494 282 L N 2.048 123.342 121.223 0.119 0.000 2.385 282 L HA 0.704 5.045 4.340 0.001 0.000 0.273 282 L C -1.800 175.078 176.870 0.013 0.000 0.990 282 L CA -0.294 54.592 54.840 0.077 0.000 0.821 282 L CB 1.863 43.968 42.059 0.077 0.000 1.279 282 L HN 0.787 nan 8.230 nan 0.000 0.412 283 D N 4.619 125.002 120.400 -0.028 0.000 2.696 283 D HA 0.306 4.947 4.640 0.001 0.000 0.251 283 D C 0.329 176.524 176.300 -0.175 0.000 1.188 283 D CA -0.442 53.440 54.000 -0.197 0.000 0.876 283 D CB 1.772 42.308 40.800 -0.439 0.000 1.334 283 D HN 0.459 nan 8.370 nan 0.000 0.540 284 M N 1.671 121.191 119.600 -0.133 0.000 2.556 284 M HA 0.030 4.510 4.480 0.001 0.000 0.245 284 M C 0.210 176.546 176.300 0.059 0.000 1.128 284 M CA 0.263 55.555 55.300 -0.013 0.000 1.069 284 M CB -0.800 31.799 32.600 -0.002 0.000 1.469 284 M HN 0.499 nan 8.290 nan 0.000 0.494 285 H N 0.188 119.270 119.070 0.020 0.000 2.713 285 H HA -0.165 4.391 4.556 0.001 0.000 0.311 285 H C 1.370 176.705 175.328 0.012 0.000 1.175 285 H CA 0.805 56.862 56.048 0.016 0.000 1.143 285 H CB -2.054 27.719 29.762 0.019 0.000 1.434 285 H HN 0.661 nan 8.280 nan 0.000 0.418 286 G N -0.344 108.484 108.800 0.048 0.000 2.189 286 G HA2 -0.352 3.608 3.960 0.001 0.000 0.267 286 G HA3 -0.352 3.608 3.960 0.001 0.000 0.267 286 G C 0.374 175.296 174.900 0.037 0.000 0.975 286 G CA 1.024 46.146 45.100 0.037 0.000 0.644 286 G HN 0.545 nan 8.290 nan 0.000 0.537 287 K N 0.094 120.525 120.400 0.052 0.000 2.098 287 K HA 0.516 4.837 4.320 0.001 0.000 0.258 287 K C 0.657 177.270 176.600 0.022 0.000 0.973 287 K CA -0.926 55.384 56.287 0.039 0.000 0.898 287 K CB 1.397 33.929 32.500 0.054 0.000 1.057 287 K HN 0.257 nan 8.250 nan 0.000 0.447 288 R N 2.767 123.275 120.500 0.013 0.000 2.570 288 R HA 0.053 4.393 4.340 0.001 0.000 0.277 288 R C -2.030 174.273 176.300 0.005 0.000 1.039 288 R CA -0.973 55.129 56.100 0.002 0.000 1.065 288 R CB 0.240 30.540 30.300 -0.001 0.000 0.964 288 R HN 0.387 nan 8.270 nan 0.000 0.428 289 P HA 0.024 nan 4.420 nan 0.000 0.270 289 P C -1.162 176.143 177.300 0.008 0.000 1.223 289 P CA 0.044 63.142 63.100 -0.002 0.000 0.785 289 P CB 0.569 32.250 31.700 -0.032 0.000 0.923 290 K N 0.699 121.112 120.400 0.022 0.000 2.174 290 K HA 0.476 4.797 4.320 0.001 0.000 0.275 290 K C 0.262 176.882 176.600 0.033 0.000 1.015 290 K CA -0.592 55.712 56.287 0.029 0.000 0.933 290 K CB 1.041 33.565 32.500 0.039 0.000 1.025 290 K HN 0.561 nan 8.250 nan 0.000 0.463 291 A N 2.016 124.855 122.820 0.032 0.000 2.531 291 A HA 0.270 4.590 4.320 0.001 0.000 0.236 291 A C 0.280 177.903 177.584 0.064 0.000 1.062 291 A CA -0.272 51.789 52.037 0.039 0.000 0.760 291 A CB -0.066 18.954 19.000 0.035 0.000 0.995 291 A HN 0.521 nan 8.150 nan 0.000 0.501 292 V N 0.575 120.538 119.914 0.082 0.000 3.001 292 V HA 0.587 4.707 4.120 0.001 0.000 0.314 292 V C -0.386 175.755 176.094 0.078 0.000 1.099 292 V CA -1.294 61.060 62.300 0.091 0.000 0.989 292 V CB 1.751 33.656 31.823 0.137 0.000 1.040 292 V HN 0.892 nan 8.190 nan 0.000 0.434 293 N N 0.786 119.519 118.700 0.056 0.000 2.498 293 N HA 0.727 5.467 4.740 0.001 0.000 0.287 293 N C -1.153 174.315 175.510 -0.069 0.000 1.097 293 N CA -0.584 52.487 53.050 0.035 0.000 0.973 293 N CB 2.030 40.541 38.487 0.040 0.000 1.153 293 N HN 0.620 nan 8.380 nan 0.000 0.472 294 V N 1.809 121.650 119.914 -0.121 0.000 2.841 294 V HA 0.482 4.602 4.120 0.001 0.000 0.310 294 V C -0.539 175.437 176.094 -0.196 0.000 1.090 294 V CA -0.771 61.330 62.300 -0.333 0.000 0.930 294 V CB 2.052 33.466 31.823 -0.682 0.000 1.014 294 V HN 0.675 nan 8.190 nan 0.000 0.425 295 R N 1.603 121.996 120.500 -0.178 0.000 2.502 295 R HA 0.560 4.900 4.340 0.001 0.000 0.300 295 R C -0.219 176.087 176.300 0.011 0.000 0.984 295 R CA -0.548 55.523 56.100 -0.048 0.000 0.882 295 R CB 2.097 32.392 30.300 -0.009 0.000 1.180 295 R HN 0.902 nan 8.270 nan 0.000 0.444 296 T N -0.056 114.543 114.554 0.074 0.000 2.899 296 T HA 0.715 5.065 4.350 0.001 0.000 0.295 296 T C 0.241 174.998 174.700 0.096 0.000 1.033 296 T CA -0.418 61.789 62.100 0.179 0.000 1.084 296 T CB 1.580 70.574 68.868 0.210 0.000 0.979 296 T HN 0.676 nan 8.240 nan 0.000 0.532 297 A N 2.807 125.684 122.820 0.094 0.000 2.566 297 A HA 0.755 5.076 4.320 0.001 0.000 0.290 297 A C -3.146 174.453 177.584 0.025 0.000 1.071 297 A CA -1.699 50.358 52.037 0.032 0.000 0.658 297 A CB 0.319 19.332 19.000 0.022 0.000 1.285 297 A HN 0.660 nan 8.150 nan 0.000 0.427 298 P HA 0.274 nan 4.420 nan 0.000 0.270 298 P C -0.448 176.877 177.300 0.041 0.000 1.223 298 P CA 0.235 63.349 63.100 0.024 0.000 0.785 298 P CB 0.152 31.857 31.700 0.008 0.000 0.923 299 H N 3.436 122.495 119.070 -0.017 0.000 3.094 299 H HA -0.002 4.554 4.556 0.001 0.000 0.320 299 H C -1.318 174.002 175.328 -0.013 0.000 1.000 299 H CA -0.377 55.659 56.048 -0.020 0.000 1.413 299 H CB 0.260 30.010 29.762 -0.019 0.000 1.405 299 H HN 0.295 nan 8.280 nan 0.000 0.586 300 P HA 0.197 nan 4.420 nan 0.000 0.266 300 P C -0.337 176.720 177.300 -0.405 0.000 1.381 300 P CA 0.005 62.503 63.100 -1.002 0.000 0.940 300 P CB 0.199 31.461 31.700 -0.731 0.000 1.435 301 A N 0.528 123.232 122.820 -0.193 0.000 2.281 301 A HA 0.237 4.558 4.320 0.001 0.000 0.271 301 A C -0.202 177.373 177.584 -0.014 0.000 1.196 301 A CA -0.408 51.593 52.037 -0.060 0.000 0.807 301 A CB -0.572 18.425 19.000 -0.005 0.000 1.138 301 A HN 0.165 nan 8.150 nan 0.000 0.506 302 F N 1.701 121.602 119.950 -0.081 0.000 2.578 302 F HA 0.335 4.863 4.527 0.001 0.000 0.381 302 F C -1.754 174.017 175.800 -0.048 0.000 1.069 302 F CA -1.874 56.070 58.000 -0.094 0.000 1.231 302 F CB 0.596 39.511 39.000 -0.142 0.000 1.086 302 F HN 0.236 nan 8.300 nan 0.000 0.564 303 P HA 0.021 nan 4.420 nan 0.000 0.280 303 P C 0.401 177.697 177.300 -0.007 0.000 1.244 303 P CA -0.140 62.854 63.100 -0.176 0.000 0.784 303 P CB 1.546 33.120 31.700 -0.211 0.000 0.913 304 T N 1.534 116.162 114.554 0.123 0.000 2.778 304 T HA -0.170 4.180 4.350 0.001 0.000 0.269 304 T C 0.938 175.739 174.700 0.168 0.000 1.050 304 T CA 1.810 64.029 62.100 0.199 0.000 1.137 304 T CB -0.687 68.325 68.868 0.239 0.000 0.860 304 T HN 0.349 nan 8.240 nan 0.000 0.468 305 D N 0.237 120.698 120.400 0.102 0.000 2.378 305 D HA 0.048 4.688 4.640 0.001 0.000 0.227 305 D C 1.313 177.643 176.300 0.051 0.000 1.012 305 D CA 0.452 54.491 54.000 0.065 0.000 0.905 305 D CB 0.031 40.851 40.800 0.034 0.000 0.895 305 D HN 0.412 nan 8.370 nan 0.000 0.532 306 M N -0.114 119.507 119.600 0.034 0.000 2.333 306 M HA 0.054 4.535 4.480 0.001 0.000 0.257 306 M C 1.660 178.194 176.300 0.390 0.000 1.078 306 M CA 0.118 55.494 55.300 0.126 0.000 1.005 306 M CB 0.401 32.929 32.600 -0.121 0.000 1.444 306 M HN -0.015 nan 8.290 nan 0.000 0.496 307 Q N 1.140 121.155 119.800 0.359 0.000 2.084 307 Q HA -0.104 4.236 4.340 0.001 0.000 0.202 307 Q C 1.750 177.911 176.000 0.268 0.000 0.978 307 Q CA 2.062 58.104 55.803 0.397 0.000 0.844 307 Q CB 0.058 28.996 28.738 0.333 0.000 0.898 307 Q HN 0.461 nan 8.270 nan 0.000 0.426 308 A N 0.651 123.487 122.820 0.027 0.000 1.908 308 A HA -0.256 4.064 4.320 0.001 0.000 0.218 308 A C 2.041 179.580 177.584 -0.075 0.000 1.181 308 A CA 1.806 53.626 52.037 -0.361 0.000 0.627 308 A CB -0.546 18.071 19.000 -0.639 0.000 0.818 308 A HN 0.504 nan 8.150 nan 0.000 0.445 309 Q N -1.348 118.493 119.800 0.069 0.000 2.050 309 Q HA -0.106 4.234 4.340 0.001 0.000 0.202 309 Q C 1.722 177.799 176.000 0.128 0.000 0.980 309 Q CA 1.818 57.684 55.803 0.105 0.000 0.840 309 Q CB -0.386 28.457 28.738 0.175 0.000 0.898 309 Q HN 0.679 nan 8.270 nan 0.000 0.424 310 F N 0.263 120.294 119.950 0.135 0.000 2.293 310 F HA -0.136 4.391 4.527 0.001 0.000 0.300 310 F C 2.244 178.085 175.800 0.069 0.000 1.086 310 F CA 1.148 59.222 58.000 0.123 0.000 1.375 310 F CB -0.535 38.561 39.000 0.160 0.000 1.045 310 F HN 0.037 nan 8.300 nan 0.000 0.516 311 T N 0.792 115.496 114.554 0.250 0.000 2.607 311 T HA -0.260 4.090 4.350 0.001 0.000 0.267 311 T C 2.040 176.793 174.700 0.089 0.000 1.049 311 T CA 1.701 63.910 62.100 0.181 0.000 1.162 311 T CB -0.746 68.339 68.868 0.362 0.000 0.863 311 T HN 0.186 nan 8.240 nan 0.000 0.424 312 L N 1.243 122.514 121.223 0.080 0.000 2.012 312 L HA -0.010 4.330 4.340 0.001 0.000 0.210 312 L C 2.275 179.121 176.870 -0.041 0.000 1.073 312 L CA 1.575 56.424 54.840 0.016 0.000 0.748 312 L CB -0.927 41.133 42.059 0.003 0.000 0.891 312 L HN 0.316 nan 8.230 nan 0.000 0.431 313 L N -0.393 120.772 121.223 -0.096 0.000 2.013 313 L HA -0.289 4.052 4.340 0.001 0.000 0.212 313 L C 2.258 179.077 176.870 -0.085 0.000 1.073 313 L CA 1.979 56.728 54.840 -0.151 0.000 0.753 313 L CB -0.598 41.245 42.059 -0.359 0.000 0.890 313 L HN 0.397 nan 8.230 nan 0.000 0.432 314 N N 0.032 118.706 118.700 -0.043 0.000 2.149 314 N HA -0.173 4.567 4.740 0.001 0.000 0.188 314 N C 1.773 177.253 175.510 -0.049 0.000 1.019 314 N CA 1.466 54.499 53.050 -0.029 0.000 0.857 314 N CB -0.405 38.075 38.487 -0.013 0.000 0.997 314 N HN 0.389 nan 8.380 nan 0.000 0.426 315 L N 0.183 121.378 121.223 -0.046 0.000 2.465 315 L HA -0.016 4.325 4.340 0.001 0.000 0.224 315 L C 1.432 178.266 176.870 -0.059 0.000 1.145 315 L CA 0.437 55.246 54.840 -0.052 0.000 0.834 315 L CB -0.015 42.022 42.059 -0.036 0.000 0.944 315 L HN 0.087 nan 8.230 nan 0.000 0.451 316 V N -4.720 115.161 119.914 -0.055 0.000 3.380 316 V HA 0.493 4.614 4.120 0.001 0.000 0.307 316 V C 0.925 176.991 176.094 -0.046 0.000 1.434 316 V CA -0.247 62.019 62.300 -0.056 0.000 1.075 316 V CB -0.350 31.442 31.823 -0.052 0.000 0.954 316 V HN 0.100 nan 8.190 nan 0.000 0.444 317 A N 0.458 123.254 122.820 -0.041 0.000 2.296 317 A HA 0.507 4.827 4.320 0.001 0.000 0.264 317 A C 0.236 177.812 177.584 -0.013 0.000 1.097 317 A CA -0.366 51.657 52.037 -0.025 0.000 0.811 317 A CB 0.337 19.326 19.000 -0.018 0.000 1.072 317 A HN 0.535 nan 8.150 nan 0.000 0.495 318 E N -0.143 120.056 120.200 -0.000 0.000 2.105 318 E HA 0.458 4.808 4.350 0.001 0.000 0.285 318 E C 0.347 176.962 176.600 0.024 0.000 1.055 318 E CA 0.754 57.160 56.400 0.011 0.000 0.843 318 E CB 0.205 29.913 29.700 0.013 0.000 1.067 318 E HN 1.250 nan 8.360 nan 0.000 0.398 319 G N 2.660 111.480 108.800 0.033 0.000 2.353 319 G HA2 -0.143 3.818 3.960 0.001 0.000 0.615 319 G HA3 -0.143 3.818 3.960 0.001 0.000 0.615 319 G C -0.754 174.180 174.900 0.056 0.000 1.280 319 G CA -0.798 44.334 45.100 0.053 0.000 1.000 319 G HN 0.411 nan 8.290 nan 0.000 0.516 320 T N 0.685 115.286 114.554 0.078 0.000 2.767 320 T HA 0.688 5.038 4.350 0.001 0.000 0.284 320 T C 0.544 175.270 174.700 0.044 0.000 0.973 320 T CA 0.474 62.591 62.100 0.028 0.000 0.996 320 T CB 1.411 70.350 68.868 0.119 0.000 0.927 320 T HN 1.550 nan 8.240 nan 0.000 0.456 321 G N 1.714 110.467 108.800 -0.078 0.000 2.524 321 G HA2 0.685 4.646 3.960 0.001 0.000 0.310 321 G HA3 0.685 4.646 3.960 0.001 0.000 0.310 321 G C -1.545 173.293 174.900 -0.105 0.000 1.279 321 G CA -0.584 44.532 45.100 0.026 0.000 0.974 321 G HN 0.541 nan 8.290 nan 0.000 0.484 322 F N 0.975 120.881 119.950 -0.074 0.000 2.426 322 F HA 0.551 5.078 4.527 0.001 0.000 0.348 322 F C 0.311 176.077 175.800 -0.056 0.000 1.124 322 F CA -0.680 57.278 58.000 -0.071 0.000 1.008 322 F CB 2.034 41.005 39.000 -0.048 0.000 1.139 322 F HN 0.107 nan 8.300 nan 0.000 0.452 323 I N 3.324 123.931 120.570 0.060 0.000 2.382 323 I HA 0.298 4.468 4.170 0.001 0.000 0.286 323 I C -0.533 175.686 176.117 0.169 0.000 1.002 323 I CA -0.358 60.987 61.300 0.075 0.000 1.135 323 I CB 1.754 39.795 38.000 0.069 0.000 1.288 323 I HN 0.453 nan 8.210 nan 0.000 0.448 324 T N 4.441 119.085 114.554 0.150 0.000 2.758 324 T HA 0.237 4.587 4.350 0.001 0.000 0.285 324 T C -0.250 174.555 174.700 0.175 0.000 0.981 324 T CA -0.420 61.797 62.100 0.195 0.000 0.965 324 T CB 1.184 70.127 68.868 0.124 0.000 0.927 324 T HN 0.427 nan 8.240 nan 0.000 0.448 325 E N 2.259 122.586 120.200 0.212 0.000 2.081 325 E HA 0.311 4.661 4.350 0.001 0.000 0.281 325 E C 0.985 177.590 176.600 0.009 0.000 0.986 325 E CA -0.525 55.915 56.400 0.067 0.000 0.796 325 E CB 0.638 30.254 29.700 -0.140 0.000 1.085 325 E HN 0.646 nan 8.360 nan 0.000 0.398 326 T N 0.398 114.960 114.554 0.013 0.000 3.023 326 T HA 0.120 4.470 4.350 0.001 0.000 0.253 326 T C 1.112 175.768 174.700 -0.073 0.000 1.038 326 T CA 0.401 62.490 62.100 -0.018 0.000 0.962 326 T CB 0.152 69.016 68.868 -0.008 0.000 1.018 326 T HN 0.197 nan 8.240 nan 0.000 0.521 327 V N -0.253 119.601 119.914 -0.100 0.000 2.575 327 V HA 0.403 4.524 4.120 0.001 0.000 0.242 327 V C 0.222 176.037 176.094 -0.465 0.000 1.045 327 V CA 0.462 62.589 62.300 -0.288 0.000 1.065 327 V CB -0.283 31.357 31.823 -0.306 0.000 0.717 327 V HN 0.403 nan 8.190 nan 0.000 0.467 328 F N 0.755 120.671 119.950 -0.057 0.000 2.532 328 F HA 0.422 4.949 4.527 0.001 0.000 0.321 328 F C 1.153 176.880 175.800 -0.123 0.000 1.089 328 F CA -1.204 56.751 58.000 -0.075 0.000 0.926 328 F CB 1.376 40.334 39.000 -0.071 0.000 1.168 328 F HN 0.018 nan 8.300 nan 0.000 0.459 329 E N 0.195 120.459 120.200 0.106 0.000 2.479 329 E HA -0.026 4.324 4.350 0.001 0.000 0.193 329 E C -0.219 176.360 176.600 -0.034 0.000 1.049 329 E CA 0.521 56.924 56.400 0.004 0.000 0.870 329 E CB -0.076 29.637 29.700 0.021 0.000 0.944 329 E HN 0.556 nan 8.360 nan 0.000 0.492 330 N N 0.708 119.391 118.700 -0.029 0.000 2.646 330 N HA 0.128 4.868 4.740 0.001 0.000 0.303 330 N C -0.703 174.759 175.510 -0.080 0.000 1.921 330 N CA -0.258 52.759 53.050 -0.054 0.000 0.872 330 N CB 0.395 38.869 38.487 -0.021 0.000 1.327 330 N HN -0.041 nan 8.380 nan 0.000 0.492 331 R N 0.422 120.817 120.500 -0.175 0.000 2.767 331 R HA 0.277 4.617 4.340 0.001 0.000 0.377 331 R C -0.554 175.752 176.300 0.009 0.000 1.151 331 R CA -0.040 56.004 56.100 -0.094 0.000 1.046 331 R CB -0.076 30.183 30.300 -0.068 0.000 1.404 331 R HN 0.123 nan 8.270 nan 0.000 0.580 332 F N -0.288 119.708 119.950 0.077 0.000 2.698 332 F HA 0.243 4.771 4.527 0.001 0.000 0.304 332 F C 1.310 176.985 175.800 -0.209 0.000 1.108 332 F CA -0.413 57.527 58.000 -0.099 0.000 1.263 332 F CB 0.219 39.156 39.000 -0.105 0.000 1.013 332 F HN 0.050 nan 8.300 nan 0.000 0.532 333 M N -0.600 119.083 119.600 0.138 0.000 2.358 333 M HA -0.212 4.269 4.480 0.001 0.000 0.264 333 M C 2.171 178.495 176.300 0.040 0.000 1.064 333 M CA 1.725 57.062 55.300 0.063 0.000 1.093 333 M CB -0.699 31.931 32.600 0.051 0.000 1.401 333 M HN 0.392 nan 8.290 nan 0.000 0.440 334 H N -1.653 117.451 119.070 0.056 0.000 2.457 334 H HA -0.011 4.545 4.556 0.001 0.000 0.294 334 H C 1.757 177.102 175.328 0.029 0.000 1.064 334 H CA 1.001 57.069 56.048 0.034 0.000 1.330 334 H CB -0.831 28.956 29.762 0.042 0.000 1.395 334 H HN 0.112 nan 8.280 nan 0.000 0.541 335 V N 2.252 121.881 119.914 -0.475 0.000 2.255 335 V HA -0.199 3.921 4.120 0.001 0.000 0.247 335 V C -0.132 175.886 176.094 -0.127 0.000 1.051 335 V CA 2.215 64.327 62.300 -0.314 0.000 1.018 335 V CB -1.377 30.203 31.823 -0.405 0.000 0.641 335 V HN 0.512 nan 8.190 nan 0.000 0.445 336 P HA -0.121 nan 4.420 nan 0.000 0.220 336 P C 1.339 178.628 177.300 -0.018 0.000 1.148 336 P CA 1.218 64.292 63.100 -0.043 0.000 0.803 336 P CB -0.001 31.681 31.700 -0.030 0.000 0.782 337 E N 0.261 120.456 120.200 -0.008 0.000 2.072 337 E HA -0.069 4.281 4.350 0.001 0.000 0.191 337 E C 2.313 178.923 176.600 0.016 0.000 0.985 337 E CA 0.773 57.180 56.400 0.012 0.000 0.801 337 E CB -0.892 28.825 29.700 0.028 0.000 0.750 337 E HN 0.349 nan 8.360 nan 0.000 0.452 338 L N 1.016 122.249 121.223 0.017 0.000 2.083 338 L HA -0.152 4.188 4.340 0.001 0.000 0.209 338 L C 2.431 179.308 176.870 0.013 0.000 1.083 338 L CA 0.998 55.849 54.840 0.018 0.000 0.752 338 L CB -0.344 41.729 42.059 0.024 0.000 0.899 338 L HN 0.021 nan 8.230 nan 0.000 0.433 339 S N -0.309 115.393 115.700 0.003 0.000 2.402 339 S HA -0.136 4.334 4.470 0.001 0.000 0.229 339 S C 1.934 176.546 174.600 0.020 0.000 1.021 339 S CA 0.964 59.174 58.200 0.016 0.000 0.974 339 S CB -0.226 62.973 63.200 -0.002 0.000 0.800 339 S HN 0.397 nan 8.310 nan 0.000 0.484 340 R N 0.937 121.444 120.500 0.012 0.000 2.193 340 R HA 0.084 4.425 4.340 0.001 0.000 0.229 340 R C 1.464 177.775 176.300 0.018 0.000 1.110 340 R CA 0.993 57.101 56.100 0.014 0.000 0.988 340 R CB -0.333 29.974 30.300 0.012 0.000 0.871 340 R HN 0.435 nan 8.270 nan 0.000 0.458 341 M N -0.398 119.213 119.600 0.019 0.000 2.530 341 M HA 0.198 4.678 4.480 0.001 0.000 0.231 341 M C 0.685 176.996 176.300 0.019 0.000 1.180 341 M CA 0.388 55.698 55.300 0.016 0.000 0.985 341 M CB 1.083 33.690 32.600 0.011 0.000 1.623 341 M HN 0.432 nan 8.290 nan 0.000 0.475 342 G N 0.689 109.512 108.800 0.038 0.000 2.176 342 G HA2 -0.233 3.727 3.960 0.001 0.000 0.253 342 G HA3 -0.233 3.727 3.960 0.001 0.000 0.253 342 G C 0.312 175.268 174.900 0.093 0.000 0.979 342 G CA 0.023 45.163 45.100 0.067 0.000 0.641 342 G HN 0.703 nan 8.290 nan 0.000 0.530 343 A N 0.174 123.032 122.820 0.063 0.000 2.507 343 A HA 0.485 4.806 4.320 0.001 0.000 0.235 343 A C 0.287 178.046 177.584 0.291 0.000 1.070 343 A CA 0.471 52.549 52.037 0.069 0.000 0.768 343 A CB 0.032 19.047 19.000 0.024 0.000 1.011 343 A HN 0.631 nan 8.150 nan 0.000 0.502 344 H N 0.457 119.531 119.070 0.006 0.000 2.643 344 H HA 0.589 5.145 4.556 0.001 0.000 0.259 344 H C 0.154 175.519 175.328 0.062 0.000 1.298 344 H CA -0.011 56.064 56.048 0.045 0.000 1.301 344 H CB 0.273 30.081 29.762 0.077 0.000 1.422 344 H HN 0.800 nan 8.280 nan 0.000 0.521 345 A N 1.937 124.815 122.820 0.097 0.000 2.356 345 A HA 0.620 4.940 4.320 0.001 0.000 0.323 345 A C -0.427 177.122 177.584 -0.057 0.000 1.119 345 A CA -0.777 51.234 52.037 -0.042 0.000 0.790 345 A CB 1.790 20.712 19.000 -0.130 0.000 1.273 345 A HN 0.571 nan 8.150 nan 0.000 0.452 346 E N 1.765 121.891 120.200 -0.124 0.000 2.256 346 E HA 0.565 4.915 4.350 0.001 0.000 0.268 346 E C -1.601 174.885 176.600 -0.189 0.000 0.877 346 E CA -0.514 55.819 56.400 -0.111 0.000 0.757 346 E CB 1.315 30.992 29.700 -0.038 0.000 1.183 346 E HN 0.591 nan 8.360 nan 0.000 0.418 347 I N 3.329 123.799 120.570 -0.165 0.000 2.353 347 I HA 0.235 4.406 4.170 0.001 0.000 0.293 347 I C -0.223 175.858 176.117 -0.061 0.000 0.992 347 I CA -0.297 60.896 61.300 -0.178 0.000 1.268 347 I CB 1.382 39.271 38.000 -0.185 0.000 1.387 347 I HN 0.431 nan 8.210 nan 0.000 0.478 348 E N 4.998 125.183 120.200 -0.026 0.000 2.235 348 E HA 0.402 4.752 4.350 0.001 0.000 0.252 348 E C -0.144 176.511 176.600 0.093 0.000 0.886 348 E CA -0.227 56.197 56.400 0.040 0.000 0.767 348 E CB 1.739 31.471 29.700 0.054 0.000 1.205 348 E HN 0.717 nan 8.360 nan 0.000 0.421 349 S N 3.493 119.252 115.700 0.098 0.000 3.949 349 S HA -0.336 4.134 4.470 0.001 0.000 0.626 349 S C 0.784 175.510 174.600 0.210 0.000 2.168 349 S CA 1.861 60.134 58.200 0.122 0.000 4.124 349 S CB -1.167 62.090 63.200 0.095 0.000 0.220 349 S HN 0.952 nan 8.310 nan 0.000 0.750 350 N N 0.557 119.376 118.700 0.199 0.000 2.434 350 N HA 0.170 4.911 4.740 0.001 0.000 0.196 350 N C -0.228 175.547 175.510 0.442 0.000 1.183 350 N CA 0.448 53.657 53.050 0.264 0.000 0.849 350 N CB -0.093 38.465 38.487 0.119 0.000 0.992 350 N HN 0.362 nan 8.380 nan 0.000 0.460 351 T N 0.697 115.461 114.554 0.350 0.000 2.824 351 T HA 0.236 4.586 4.350 0.001 0.000 0.282 351 T C -0.828 173.817 174.700 -0.092 0.000 0.993 351 T CA -0.592 61.636 62.100 0.214 0.000 0.967 351 T CB 2.690 71.674 68.868 0.194 0.000 0.960 351 T HN -0.039 nan 8.240 nan 0.000 0.441 352 V N 5.566 125.287 119.914 -0.322 0.000 2.370 352 V HA 0.527 4.648 4.120 0.001 0.000 0.279 352 V C -0.475 175.363 176.094 -0.427 0.000 1.029 352 V CA -0.821 61.164 62.300 -0.525 0.000 0.870 352 V CB 0.306 31.647 31.823 -0.803 0.000 0.984 352 V HN 0.789 nan 8.190 nan 0.000 0.451 353 I N 7.074 127.339 120.570 -0.508 0.000 2.325 353 I HA 0.357 4.527 4.170 0.001 0.000 0.291 353 I C -0.288 175.408 176.117 -0.702 0.000 1.019 353 I CA -0.150 60.667 61.300 -0.805 0.000 1.302 353 I CB 0.803 38.325 38.000 -0.798 0.000 1.401 353 I HN 0.497 nan 8.210 nan 0.000 0.485 354 C N 5.683 124.545 119.300 -0.729 0.000 2.345 354 C HA 0.446 4.906 4.460 0.001 0.000 0.323 354 C C -0.111 174.506 174.990 -0.622 0.000 1.276 354 C CA -0.656 58.050 59.018 -0.521 0.000 1.543 354 C CB 0.359 27.936 27.740 -0.273 0.000 2.211 354 C HN 0.626 nan 8.230 nan 0.000 0.493 355 H N 1.599 120.631 119.070 -0.064 0.000 2.718 355 H HA 0.337 4.893 4.556 0.001 0.000 0.295 355 H C 0.501 175.802 175.328 -0.044 0.000 1.051 355 H CA -0.062 55.970 56.048 -0.028 0.000 1.260 355 H CB 1.245 31.022 29.762 0.026 0.000 1.403 355 H HN 0.911 nan 8.280 nan 0.000 0.488 356 G N 2.168 110.981 108.800 0.022 0.000 2.432 356 G HA2 0.309 4.269 3.960 0.001 0.000 0.239 356 G HA3 0.309 4.269 3.960 0.001 0.000 0.239 356 G C 0.524 175.380 174.900 -0.073 0.000 1.291 356 G CA -0.280 44.800 45.100 -0.033 0.000 0.863 356 G HN 0.470 nan 8.290 nan 0.000 0.560 357 V N 0.189 120.023 119.914 -0.133 0.000 2.994 357 V HA 0.551 4.671 4.120 0.001 0.000 0.318 357 V C 1.082 177.116 176.094 -0.100 0.000 1.085 357 V CA -0.564 61.634 62.300 -0.169 0.000 0.998 357 V CB 1.990 33.622 31.823 -0.318 0.000 1.063 357 V HN 0.839 nan 8.190 nan 0.000 0.447 358 E N 0.864 121.015 120.200 -0.082 0.000 2.107 358 E HA 0.020 4.371 4.350 0.001 0.000 0.191 358 E C 0.635 177.206 176.600 -0.048 0.000 0.982 358 E CA 0.874 57.244 56.400 -0.051 0.000 0.809 358 E CB 0.291 29.969 29.700 -0.037 0.000 0.756 358 E HN 0.696 nan 8.360 nan 0.000 0.459 359 K N 0.083 120.449 120.400 -0.057 0.000 2.498 359 K HA 0.355 4.676 4.320 0.001 0.000 0.254 359 K C -1.161 175.408 176.600 -0.050 0.000 0.933 359 K CA -0.585 55.675 56.287 -0.044 0.000 0.806 359 K CB 1.450 33.931 32.500 -0.031 0.000 1.301 359 K HN -0.040 nan 8.250 nan 0.000 0.432 360 L N 1.188 122.389 121.223 -0.038 0.000 2.431 360 L HA 0.457 4.797 4.340 0.001 0.000 0.260 360 L C 0.067 176.928 176.870 -0.015 0.000 1.098 360 L CA -0.795 54.028 54.840 -0.028 0.000 0.800 360 L CB 1.804 43.850 42.059 -0.022 0.000 1.210 360 L HN 0.561 nan 8.230 nan 0.000 0.465 361 S N -0.505 115.191 115.700 -0.006 0.000 2.549 361 S HA 0.497 4.967 4.470 0.001 0.000 0.297 361 S C 0.136 174.738 174.600 0.003 0.000 1.115 361 S CA -0.658 57.542 58.200 -0.000 0.000 1.059 361 S CB 1.744 64.948 63.200 0.006 0.000 1.046 361 S HN 0.761 nan 8.310 nan 0.000 0.506 362 G N 1.021 109.823 108.800 0.003 0.000 2.414 362 G HA2 0.483 4.443 3.960 0.001 0.000 0.236 362 G HA3 0.483 4.443 3.960 0.001 0.000 0.236 362 G C -0.337 174.569 174.900 0.011 0.000 1.293 362 G CA 0.104 45.208 45.100 0.007 0.000 0.869 362 G HN 0.973 nan 8.290 nan 0.000 0.556 363 A N 1.874 124.702 122.820 0.014 0.000 2.608 363 A HA 0.620 4.940 4.320 0.001 0.000 0.292 363 A C -0.473 177.124 177.584 0.020 0.000 1.066 363 A CA -0.717 51.329 52.037 0.016 0.000 0.676 363 A CB 1.266 20.276 19.000 0.015 0.000 1.277 363 A HN 0.570 nan 8.150 nan 0.000 0.413 364 Q N 1.046 120.858 119.800 0.020 0.000 2.323 364 Q HA 0.442 4.783 4.340 0.001 0.000 0.257 364 Q C -0.141 175.872 176.000 0.022 0.000 1.022 364 Q CA -0.039 55.777 55.803 0.023 0.000 0.919 364 Q CB 1.026 29.776 28.738 0.020 0.000 1.220 364 Q HN 0.969 nan 8.270 nan 0.000 0.427 365 V N -0.067 119.861 119.914 0.025 0.000 3.102 365 V HA 0.711 4.832 4.120 0.001 0.000 0.312 365 V C -0.597 175.511 176.094 0.022 0.000 1.135 365 V CA -1.206 61.108 62.300 0.023 0.000 1.022 365 V CB 2.733 34.570 31.823 0.024 0.000 1.056 365 V HN 0.738 nan 8.190 nan 0.000 0.436 366 M N 2.293 121.904 119.600 0.019 0.000 2.327 366 M HA 0.764 5.244 4.480 0.001 0.000 0.298 366 M C -0.202 176.100 176.300 0.003 0.000 1.065 366 M CA -0.678 54.632 55.300 0.018 0.000 0.916 366 M CB 1.929 34.545 32.600 0.026 0.000 1.630 366 M HN 1.218 nan 8.290 nan 0.000 0.442 367 A N 2.492 125.307 122.820 -0.008 0.000 2.488 367 A HA 0.388 4.708 4.320 0.001 0.000 0.249 367 A C 0.920 178.416 177.584 -0.147 0.000 1.083 367 A CA 0.261 52.259 52.037 -0.066 0.000 0.768 367 A CB -0.155 18.820 19.000 -0.042 0.000 1.017 367 A HN 0.945 nan 8.150 nan 0.000 0.496 368 T N -1.031 113.370 114.554 -0.255 0.000 3.015 368 T HA 0.316 4.666 4.350 0.001 0.000 0.250 368 T C 0.112 174.375 174.700 -0.727 0.000 1.057 368 T CA 0.724 62.623 62.100 -0.335 0.000 1.066 368 T CB -0.438 68.353 68.868 -0.128 0.000 0.959 368 T HN 0.854 nan 8.240 nan 0.000 0.488 369 D N -0.806 119.138 120.400 -0.761 0.000 2.639 369 D HA 0.389 5.029 4.640 0.001 0.000 0.271 369 D C 0.707 176.775 176.300 -0.386 0.000 1.254 369 D CA -0.928 52.697 54.000 -0.624 0.000 0.810 369 D CB 0.856 41.478 40.800 -0.297 0.000 1.351 369 D HN -0.090 nan 8.370 nan 0.000 0.427 370 L N 0.616 121.734 121.223 -0.175 0.000 1.978 370 L HA -0.166 4.174 4.340 0.001 0.000 0.218 370 L C 1.882 178.772 176.870 0.035 0.000 1.075 370 L CA 1.925 56.757 54.840 -0.013 0.000 0.767 370 L CB -0.546 41.527 42.059 0.023 0.000 0.890 370 L HN 0.488 nan 8.230 nan 0.000 0.434 371 R N -0.052 120.446 120.500 -0.003 0.000 2.119 371 R HA 0.115 4.455 4.340 0.001 0.000 0.222 371 R C 2.227 178.490 176.300 -0.061 0.000 1.088 371 R CA 1.134 57.246 56.100 0.020 0.000 0.984 371 R CB -1.416 28.887 30.300 0.006 0.000 0.884 371 R HN 0.577 nan 8.270 nan 0.000 0.447 372 A N 1.603 124.360 122.820 -0.106 0.000 1.902 372 A HA -0.209 4.111 4.320 0.001 0.000 0.217 372 A C 2.394 179.938 177.584 -0.067 0.000 1.181 372 A CA 2.145 54.126 52.037 -0.094 0.000 0.623 372 A CB -0.643 18.337 19.000 -0.032 0.000 0.818 372 A HN 0.456 nan 8.150 nan 0.000 0.443 373 S N 0.475 116.120 115.700 -0.091 0.000 2.359 373 S HA -0.088 4.383 4.470 0.001 0.000 0.224 373 S C 2.156 176.713 174.600 -0.072 0.000 1.035 373 S CA 1.722 59.878 58.200 -0.074 0.000 1.018 373 S CB -0.926 62.226 63.200 -0.079 0.000 0.876 373 S HN 1.053 nan 8.310 nan 0.000 0.448 374 A N 1.824 124.578 122.820 -0.110 0.000 1.892 374 A HA -0.069 4.252 4.320 0.001 0.000 0.218 374 A C 2.515 179.999 177.584 -0.166 0.000 1.188 374 A CA 2.218 54.108 52.037 -0.245 0.000 0.631 374 A CB -1.469 17.338 19.000 -0.321 0.000 0.822 374 A HN 0.618 nan 8.150 nan 0.000 0.447 375 S N -0.044 115.595 115.700 -0.101 0.000 2.370 375 S HA -0.144 4.327 4.470 0.001 0.000 0.226 375 S C 1.813 176.391 174.600 -0.036 0.000 1.033 375 S CA 1.637 59.797 58.200 -0.068 0.000 1.011 375 S CB -0.501 62.660 63.200 -0.065 0.000 0.852 375 S HN 0.519 nan 8.310 nan 0.000 0.457 376 L N 0.989 122.200 121.223 -0.019 0.000 2.093 376 L HA -0.052 4.288 4.340 0.001 0.000 0.208 376 L C 2.347 179.220 176.870 0.005 0.000 1.085 376 L CA 0.719 55.562 54.840 0.004 0.000 0.755 376 L CB -0.785 41.283 42.059 0.015 0.000 0.904 376 L HN 0.198 nan 8.230 nan 0.000 0.435 377 V N -0.076 119.840 119.914 0.003 0.000 2.287 377 V HA -0.298 3.822 4.120 0.001 0.000 0.248 377 V C 2.498 178.568 176.094 -0.039 0.000 1.053 377 V CA 1.455 63.763 62.300 0.013 0.000 1.027 377 V CB -0.474 31.383 31.823 0.056 0.000 0.646 377 V HN 0.246 nan 8.190 nan 0.000 0.447 378 L N 0.575 121.753 121.223 -0.075 0.000 2.043 378 L HA -0.193 4.148 4.340 0.001 0.000 0.212 378 L C 2.651 179.495 176.870 -0.044 0.000 1.075 378 L CA 2.315 57.111 54.840 -0.073 0.000 0.752 378 L CB -1.492 40.511 42.059 -0.093 0.000 0.891 378 L HN 0.319 nan 8.230 nan 0.000 0.432 379 A N -0.527 122.274 122.820 -0.031 0.000 1.892 379 A HA -0.184 4.136 4.320 0.001 0.000 0.218 379 A C 2.442 180.018 177.584 -0.014 0.000 1.188 379 A CA 1.919 53.946 52.037 -0.018 0.000 0.631 379 A CB -1.405 17.593 19.000 -0.003 0.000 0.822 379 A HN 0.459 nan 8.150 nan 0.000 0.447 380 G N -1.163 107.633 108.800 -0.008 0.000 2.432 380 G HA2 -0.241 3.720 3.960 0.001 0.000 0.219 380 G HA3 -0.241 3.720 3.960 0.001 0.000 0.219 380 G C 1.522 176.413 174.900 -0.016 0.000 1.135 380 G CA 1.293 46.391 45.100 -0.005 0.000 0.767 380 G HN 0.553 nan 8.290 nan 0.000 0.550 381 C N 0.784 120.067 119.300 -0.027 0.000 2.440 381 C HA 0.034 4.494 4.460 0.001 0.000 0.278 381 C C 2.686 177.661 174.990 -0.025 0.000 1.295 381 C CA 0.806 59.806 59.018 -0.031 0.000 1.738 381 C CB -0.950 26.769 27.740 -0.036 0.000 1.987 381 C HN 0.662 nan 8.230 nan 0.000 0.492 382 I N -0.468 120.088 120.570 -0.024 0.000 3.728 382 I HA 0.337 4.508 4.170 0.001 0.000 0.307 382 I C 1.126 177.231 176.117 -0.020 0.000 1.276 382 I CA -0.015 61.272 61.300 -0.022 0.000 1.285 382 I CB -0.440 37.545 38.000 -0.026 0.000 1.038 382 I HN 0.076 nan 8.210 nan 0.000 0.445 383 A N 1.821 124.631 122.820 -0.017 0.000 2.366 383 A HA 0.259 4.580 4.320 0.001 0.000 0.249 383 A C 0.017 177.594 177.584 -0.011 0.000 1.084 383 A CA -0.171 51.858 52.037 -0.013 0.000 0.794 383 A CB 0.245 19.240 19.000 -0.008 0.000 1.034 383 A HN 0.421 nan 8.150 nan 0.000 0.491 384 E N 0.394 120.589 120.200 -0.009 0.000 2.180 384 E HA 0.478 4.828 4.350 0.001 0.000 0.283 384 E C 0.713 177.311 176.600 -0.003 0.000 1.061 384 E CA 1.328 57.724 56.400 -0.007 0.000 0.861 384 E CB -0.145 29.551 29.700 -0.007 0.000 1.056 384 E HN 1.637 nan 8.360 nan 0.000 0.407 385 G N 3.284 112.082 108.800 -0.003 0.000 2.451 385 G HA2 -0.169 3.792 3.960 0.001 0.000 0.208 385 G HA3 -0.169 3.792 3.960 0.001 0.000 0.208 385 G C -0.607 174.293 174.900 0.001 0.000 1.248 385 G CA -0.372 44.728 45.100 -0.001 0.000 0.989 385 G HN 0.634 nan 8.290 nan 0.000 0.559 386 T N 1.342 115.899 114.554 0.005 0.000 2.795 386 T HA 0.652 5.003 4.350 0.001 0.000 0.282 386 T C -0.024 174.684 174.700 0.014 0.000 0.980 386 T CA 0.316 62.421 62.100 0.009 0.000 1.012 386 T CB 1.501 70.376 68.868 0.012 0.000 0.936 386 T HN 0.722 nan 8.240 nan 0.000 0.457 387 T N 2.769 117.333 114.554 0.018 0.000 2.823 387 T HA 0.513 4.864 4.350 0.001 0.000 0.279 387 T C -0.325 174.400 174.700 0.042 0.000 0.998 387 T CA -0.538 61.578 62.100 0.026 0.000 0.994 387 T CB 1.180 70.062 68.868 0.024 0.000 0.960 387 T HN 0.333 nan 8.240 nan 0.000 0.448 388 V N 4.076 124.017 119.914 0.044 0.000 2.334 388 V HA 0.317 4.437 4.120 0.001 0.000 0.281 388 V C -0.046 176.082 176.094 0.057 0.000 1.016 388 V CA -0.819 61.516 62.300 0.059 0.000 0.832 388 V CB 1.463 33.315 31.823 0.048 0.000 0.999 388 V HN 0.729 nan 8.190 nan 0.000 0.439 389 V N 3.982 123.944 119.914 0.080 0.000 2.372 389 V HA 0.242 4.363 4.120 0.001 0.000 0.261 389 V C 0.236 176.342 176.094 0.019 0.000 1.055 389 V CA -0.293 62.039 62.300 0.053 0.000 0.930 389 V CB 1.077 32.944 31.823 0.072 0.000 1.031 389 V HN 0.860 nan 8.190 nan 0.000 0.479 390 D N 4.043 124.453 120.400 0.016 0.000 2.329 390 D HA 0.317 4.958 4.640 0.001 0.000 0.246 390 D C 0.817 177.117 176.300 -0.000 0.000 1.111 390 D CA -0.221 53.785 54.000 0.010 0.000 0.941 390 D CB 0.498 41.314 40.800 0.027 0.000 1.169 390 D HN 0.514 nan 8.370 nan 0.000 0.441 391 R N 1.447 121.953 120.500 0.009 0.000 3.423 391 R HA -0.207 4.134 4.340 0.001 0.000 0.271 391 R C 0.790 176.997 176.300 -0.154 0.000 1.093 391 R CA -0.027 56.079 56.100 0.010 0.000 0.730 391 R CB -2.033 28.311 30.300 0.073 0.000 1.190 391 R HN 0.414 nan 8.270 nan 0.000 0.437 392 I N 0.913 121.374 120.570 -0.181 0.000 3.083 392 I HA -0.207 3.963 4.170 0.001 0.000 0.273 392 I C 2.144 178.083 176.117 -0.298 0.000 1.297 392 I CA 0.958 62.063 61.300 -0.326 0.000 1.452 392 I CB -0.243 37.372 38.000 -0.641 0.000 1.078 392 I HN 0.422 nan 8.210 nan 0.000 0.484 393 Y N -0.562 119.618 120.300 -0.200 0.000 2.241 393 Y HA -0.327 4.223 4.550 0.001 0.000 0.286 393 Y C 2.275 178.109 175.900 -0.110 0.000 1.166 393 Y CA 1.871 59.867 58.100 -0.173 0.000 1.203 393 Y CB -1.751 36.588 38.460 -0.203 0.000 0.977 393 Y HN 0.321 nan 8.280 nan 0.000 0.529 394 H N 0.187 118.726 119.070 -0.884 0.000 2.321 394 H HA -0.216 4.341 4.556 0.001 0.000 0.295 394 H C 2.265 177.505 175.328 -0.147 0.000 1.102 394 H CA 2.245 57.993 56.048 -0.500 0.000 1.266 394 H CB -0.327 29.142 29.762 -0.488 0.000 1.363 394 H HN 0.446 nan 8.280 nan 0.000 0.492 395 I N 0.691 121.273 120.570 0.019 0.000 2.335 395 I HA -0.270 3.901 4.170 0.001 0.000 0.251 395 I C 1.155 177.401 176.117 0.216 0.000 1.129 395 I CA 1.368 62.749 61.300 0.135 0.000 1.402 395 I CB 0.010 38.027 38.000 0.028 0.000 1.069 395 I HN 0.321 nan 8.210 nan 0.000 0.424 396 D N 0.277 120.748 120.400 0.120 0.000 2.348 396 D HA -0.088 4.552 4.640 0.001 0.000 0.216 396 D C 2.083 178.459 176.300 0.126 0.000 0.970 396 D CA 0.526 54.610 54.000 0.139 0.000 0.889 396 D CB -0.119 40.744 40.800 0.104 0.000 0.912 396 D HN 0.419 nan 8.370 nan 0.000 0.524 397 R N -0.042 120.531 120.500 0.120 0.000 2.148 397 R HA 0.011 4.352 4.340 0.001 0.000 0.227 397 R C 1.895 178.223 176.300 0.046 0.000 1.103 397 R CA 1.208 57.362 56.100 0.090 0.000 0.983 397 R CB 0.042 30.397 30.300 0.092 0.000 0.874 397 R HN 0.124 nan 8.270 nan 0.000 0.451 398 G N -1.332 107.491 108.800 0.039 0.000 2.958 398 G HA2 0.078 4.039 3.960 0.001 0.000 0.225 398 G HA3 0.078 4.039 3.960 0.001 0.000 0.225 398 G C -0.402 174.272 174.900 -0.376 0.000 1.036 398 G CA -0.244 44.753 45.100 -0.172 0.000 0.880 398 G HN 0.067 nan 8.290 nan 0.000 0.557 399 Y N 1.035 121.372 120.300 0.061 0.000 2.326 399 Y HA 0.467 5.017 4.550 0.001 0.000 0.331 399 Y C 0.035 175.997 175.900 0.104 0.000 0.962 399 Y CA -1.460 56.692 58.100 0.087 0.000 1.167 399 Y CB 1.515 40.026 38.460 0.084 0.000 1.148 399 Y HN 0.031 nan 8.280 nan 0.000 0.463 400 E N 4.237 124.569 120.200 0.220 0.000 2.324 400 E HA 0.161 4.511 4.350 0.001 0.000 0.271 400 E C -0.044 176.683 176.600 0.210 0.000 1.028 400 E CA -0.209 56.299 56.400 0.180 0.000 0.890 400 E CB 0.324 30.097 29.700 0.122 0.000 1.004 400 E HN 0.672 nan 8.360 nan 0.000 0.431 401 R N 3.215 123.825 120.500 0.183 0.000 3.333 401 R HA -0.236 4.104 4.340 0.001 0.000 0.256 401 R C 0.897 177.317 176.300 0.199 0.000 1.010 401 R CA 0.308 56.508 56.100 0.167 0.000 0.680 401 R CB -1.676 28.694 30.300 0.117 0.000 1.102 401 R HN 0.696 nan 8.270 nan 0.000 0.440 402 I N 1.112 121.829 120.570 0.245 0.000 2.264 402 I HA -0.246 3.924 4.170 0.001 0.000 0.248 402 I C 2.333 178.521 176.117 0.119 0.000 1.111 402 I CA 2.089 63.522 61.300 0.221 0.000 1.382 402 I CB -0.193 37.862 38.000 0.092 0.000 1.060 402 I HN 0.358 nan 8.210 nan 0.000 0.418 403 E N 0.130 120.363 120.200 0.055 0.000 2.058 403 E HA -0.272 4.078 4.350 0.001 0.000 0.194 403 E C 1.745 178.309 176.600 -0.060 0.000 0.997 403 E CA 1.791 58.108 56.400 -0.139 0.000 0.801 403 E CB -0.092 29.513 29.700 -0.159 0.000 0.746 403 E HN 0.519 nan 8.360 nan 0.000 0.450 404 D N 0.499 120.908 120.400 0.015 0.000 2.084 404 D HA -0.152 4.488 4.640 0.001 0.000 0.194 404 D C 1.926 178.234 176.300 0.013 0.000 0.990 404 D CA 1.100 55.109 54.000 0.014 0.000 0.826 404 D CB -0.209 40.609 40.800 0.030 0.000 0.971 404 D HN 0.190 nan 8.370 nan 0.000 0.453 405 K N 0.412 120.842 120.400 0.051 0.000 2.020 405 K HA -0.132 4.188 4.320 0.001 0.000 0.212 405 K C 2.405 179.030 176.600 0.042 0.000 1.050 405 K CA 0.849 57.143 56.287 0.012 0.000 0.929 405 K CB -0.393 32.152 32.500 0.074 0.000 0.714 405 K HN 0.149 nan 8.250 nan 0.000 0.443 406 L N 0.502 121.814 121.223 0.148 0.000 2.046 406 L HA -0.177 4.163 4.340 0.001 0.000 0.208 406 L C 2.750 179.626 176.870 0.010 0.000 1.077 406 L CA 1.072 55.978 54.840 0.110 0.000 0.747 406 L CB -0.348 41.740 42.059 0.049 0.000 0.896 406 L HN 0.179 nan 8.230 nan 0.000 0.432 407 R N 0.427 120.911 120.500 -0.028 0.000 2.096 407 R HA -0.212 4.128 4.340 0.001 0.000 0.240 407 R C 2.242 178.523 176.300 -0.032 0.000 1.139 407 R CA 1.672 57.747 56.100 -0.041 0.000 0.952 407 R CB -0.375 29.895 30.300 -0.050 0.000 0.854 407 R HN 0.349 nan 8.270 nan 0.000 0.436 408 A N 0.095 122.896 122.820 -0.032 0.000 2.125 408 A HA -0.074 4.247 4.320 0.001 0.000 0.219 408 A C 1.774 179.332 177.584 -0.043 0.000 1.156 408 A CA 1.067 53.080 52.037 -0.041 0.000 0.671 408 A CB -0.310 18.657 19.000 -0.055 0.000 0.794 408 A HN 0.377 nan 8.150 nan 0.000 0.459 409 L N -1.854 119.351 121.223 -0.030 0.000 2.628 409 L HA 0.316 4.656 4.340 0.001 0.000 0.229 409 L C 1.547 178.408 176.870 -0.014 0.000 1.137 409 L CA 0.546 55.374 54.840 -0.020 0.000 0.909 409 L CB 0.186 42.250 42.059 0.009 0.000 1.137 409 L HN 0.505 nan 8.230 nan 0.000 0.470 410 G N -0.370 108.418 108.800 -0.020 0.000 2.201 410 G HA2 -0.204 3.757 3.960 0.001 0.000 0.212 410 G HA3 -0.204 3.757 3.960 0.001 0.000 0.212 410 G C 0.390 175.275 174.900 -0.024 0.000 0.994 410 G CA -0.180 44.908 45.100 -0.021 0.000 0.644 410 G HN 0.419 nan 8.290 nan 0.000 0.508 411 A N -0.091 122.713 122.820 -0.027 0.000 2.386 411 A HA 0.628 4.948 4.320 0.001 0.000 0.248 411 A C 0.322 177.872 177.584 -0.058 0.000 1.082 411 A CA 0.602 52.613 52.037 -0.044 0.000 0.789 411 A CB 0.254 19.220 19.000 -0.057 0.000 1.025 411 A HN 0.729 nan 8.150 nan 0.000 0.490 412 N N 1.472 120.137 118.700 -0.058 0.000 2.678 412 N HA 0.488 5.229 4.740 0.001 0.000 0.231 412 N C -1.089 174.369 175.510 -0.087 0.000 1.038 412 N CA -0.254 52.760 53.050 -0.060 0.000 0.932 412 N CB 0.055 38.518 38.487 -0.040 0.000 1.176 412 N HN 0.562 nan 8.380 nan 0.000 0.511 413 I N 1.245 121.737 120.570 -0.130 0.000 2.509 413 I HA 0.331 4.501 4.170 0.001 0.000 0.293 413 I C -0.358 175.656 176.117 -0.170 0.000 1.020 413 I CA -0.813 60.361 61.300 -0.209 0.000 1.088 413 I CB 2.152 39.898 38.000 -0.422 0.000 1.267 413 I HN 0.439 nan 8.210 nan 0.000 0.430 414 E N 5.508 125.641 120.200 -0.112 0.000 2.224 414 E HA 0.336 4.687 4.350 0.001 0.000 0.265 414 E C -0.951 175.732 176.600 0.138 0.000 0.878 414 E CA -0.903 55.487 56.400 -0.015 0.000 0.759 414 E CB 2.161 31.872 29.700 0.019 0.000 1.164 414 E HN 0.464 nan 8.360 nan 0.000 0.414 415 R N 3.229 123.857 120.500 0.213 0.000 2.267 415 R HA 0.311 4.652 4.340 0.001 0.000 0.319 415 R C -1.158 175.258 176.300 0.193 0.000 1.067 415 R CA -0.201 56.137 56.100 0.396 0.000 0.936 415 R CB 0.675 31.229 30.300 0.423 0.000 1.006 415 R HN 0.210 nan 8.270 nan 0.000 0.452 416 V N 5.480 125.491 119.914 0.161 0.000 2.656 416 V HA 0.113 4.234 4.120 0.001 0.000 0.307 416 V C 1.222 177.349 176.094 0.056 0.000 1.051 416 V CA -0.809 61.545 62.300 0.089 0.000 0.893 416 V CB 1.719 33.589 31.823 0.079 0.000 0.999 416 V HN 0.880 nan 8.190 nan 0.000 0.426 417 K N 2.864 123.288 120.400 0.041 0.000 2.013 417 K HA -0.112 4.208 4.320 0.001 0.000 0.225 417 K C 0.702 177.314 176.600 0.019 0.000 1.056 417 K CA 2.169 58.471 56.287 0.025 0.000 0.971 417 K CB -0.187 32.325 32.500 0.020 0.000 0.731 417 K HN 1.013 nan 8.250 nan 0.000 0.450 418 G N 0.000 108.812 108.800 0.020 0.000 5.446 418 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 418 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 418 G CA 0.000 45.110 45.100 0.016 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925