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 2g94_1_C DATA FIRST_RESID 1 DATA SEQUENCE EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR DATA SEQUENCE YYQRQLSSTY RDLRKGVYVP YTQGKWEGEL GTDLVSIPHG PNVTVRANIA DATA SEQUENCE AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF DATA SEQUENCE SLQLcGAGFP LNQSEVLASV GGSMIIGGID HSLYTGSLWY TPIRREWYYE DATA SEQUENCE VIIVRVEING QDLKMDcKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA DATA SEQUENCE ASSTEKFPDG FWLGEQLVCW QAGTTPWNIF PVISLYLMGE VTNQSFRITI DATA SEQUENCE LPQQYLRPVE DVATSQDDCY KFAISQSSTG TVMGAVIMEG FYVVFDRARK DATA SEQUENCE RIGFAVSAcH VHDEFRTAAV EGPFVTLDME DcGYN 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 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.656 176.600 0.094 0.000 1.382 1 E CA 0.000 56.443 56.400 0.072 0.000 0.976 1 E CB 0.000 29.742 29.700 0.070 0.000 0.812 2 M N 1.813 121.464 119.600 0.084 0.000 2.441 2 M HA 0.247 4.727 4.480 -0.000 0.000 0.244 2 M C 0.331 176.668 176.300 0.063 0.000 1.122 2 M CA 0.069 55.425 55.300 0.093 0.000 1.041 2 M CB 1.286 33.950 32.600 0.106 0.000 1.438 2 M HN -0.117 nan 8.290 nan 0.000 0.484 3 V N 2.823 122.763 119.914 0.042 0.000 2.673 3 V HA -0.093 4.027 4.120 -0.000 0.000 0.303 3 V C 0.224 176.313 176.094 -0.008 0.000 1.046 3 V CA 0.665 62.976 62.300 0.018 0.000 1.126 3 V CB 0.203 32.029 31.823 0.004 0.000 0.934 3 V HN 0.546 nan 8.190 nan 0.000 0.487 4 D N 2.996 123.386 120.400 -0.016 0.000 2.870 4 D HA -0.164 4.476 4.640 -0.000 0.000 0.228 4 D C 0.834 177.093 176.300 -0.068 0.000 1.147 4 D CA 1.205 55.180 54.000 -0.040 0.000 0.757 4 D CB -1.034 39.737 40.800 -0.049 0.000 1.091 4 D HN 0.926 nan 8.370 nan 0.000 0.429 5 N N -0.028 118.648 118.700 -0.041 0.000 2.322 5 N HA 0.002 4.742 4.740 -0.000 0.000 0.194 5 N C 0.415 175.900 175.510 -0.042 0.000 1.126 5 N CA 0.111 53.130 53.050 -0.050 0.000 0.845 5 N CB 0.231 38.745 38.487 0.045 0.000 0.976 5 N HN 0.348 nan 8.380 nan 0.000 0.475 6 L N 0.058 121.247 121.223 -0.056 0.000 2.334 6 L HA 0.556 4.896 4.340 -0.000 0.000 0.272 6 L C 0.401 177.170 176.870 -0.168 0.000 1.020 6 L CA -0.863 53.922 54.840 -0.091 0.000 0.812 6 L CB 1.677 43.715 42.059 -0.034 0.000 1.264 6 L HN -0.064 nan 8.230 nan 0.000 0.439 7 R N 0.078 120.331 120.500 -0.412 0.000 2.836 7 R HA 0.808 5.148 4.340 -0.000 0.000 0.269 7 R C -0.482 175.369 176.300 -0.748 0.000 1.010 7 R CA -0.392 55.391 56.100 -0.529 0.000 0.930 7 R CB 2.305 32.267 30.300 -0.563 0.000 1.218 7 R HN 0.861 nan 8.270 nan 0.000 0.473 8 G N 0.896 109.428 108.800 -0.446 0.000 2.396 8 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.254 8 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.254 8 G C -1.589 172.986 174.900 -0.542 0.000 1.248 8 G CA -0.252 44.628 45.100 -0.366 0.000 1.033 8 G HN 0.768 nan 8.290 nan 0.000 0.502 9 K N -2.113 117.784 120.400 -0.839 0.000 2.735 9 K HA 0.703 5.023 4.320 -0.000 0.000 0.295 9 K C -0.177 176.011 176.600 -0.687 0.000 1.052 9 K CA -0.410 55.376 56.287 -0.835 0.000 0.853 9 K CB 0.522 32.833 32.500 -0.314 0.000 1.535 9 K HN 0.908 nan 8.250 nan 0.000 0.383 10 S N -0.734 114.795 115.700 -0.286 0.000 2.580 10 S HA 0.404 4.874 4.470 -0.000 0.000 0.266 10 S C 1.140 175.698 174.600 -0.070 0.000 1.354 10 S CA 1.395 59.557 58.200 -0.063 0.000 1.008 10 S CB 0.426 63.656 63.200 0.049 0.000 0.898 10 S HN 1.094 nan 8.310 nan 0.000 0.555 11 G N 1.151 109.942 108.800 -0.016 0.000 3.329 11 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 11 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 11 G C 0.759 175.659 174.900 0.000 0.000 1.358 11 G CA 0.723 45.816 45.100 -0.011 0.000 0.856 11 G HN 0.650 nan 8.290 nan 0.000 0.551 12 Q N 0.553 120.347 119.800 -0.010 0.000 2.373 12 Q HA 0.457 4.796 4.340 -0.000 0.000 0.210 12 Q C 1.142 177.281 176.000 0.232 0.000 0.913 12 Q CA 0.714 56.559 55.803 0.071 0.000 0.911 12 Q CB 1.140 29.890 28.738 0.019 0.000 1.040 12 Q HN 1.861 nan 8.270 nan 0.000 0.521 13 G N 0.203 109.023 108.800 0.034 0.000 2.484 13 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.685 13 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.685 13 G C -1.635 173.184 174.900 -0.135 0.000 1.294 13 G CA -1.037 44.055 45.100 -0.013 0.000 0.879 13 G HN 0.103 nan 8.290 nan 0.000 0.646 14 Y N 0.413 120.698 120.300 -0.026 0.000 2.330 14 Y HA 0.682 5.232 4.550 -0.000 0.000 0.336 14 Y C 0.677 176.531 175.900 -0.076 0.000 1.036 14 Y CA -0.178 57.868 58.100 -0.090 0.000 1.125 14 Y CB 1.663 40.062 38.460 -0.102 0.000 1.194 14 Y HN 0.788 nan 8.280 nan 0.000 0.469 15 Y N 0.228 120.562 120.300 0.058 0.000 2.576 15 Y HA 0.822 5.372 4.550 -0.000 0.000 0.346 15 Y C -1.768 174.150 175.900 0.031 0.000 1.018 15 Y CA -1.756 56.342 58.100 -0.004 0.000 1.050 15 Y CB 0.951 39.423 38.460 0.021 0.000 1.280 15 Y HN 0.398 nan 8.280 nan 0.000 0.474 16 V N 1.697 121.729 119.914 0.197 0.000 2.769 16 V HA 0.404 4.523 4.120 -0.000 0.000 0.312 16 V C -0.710 175.494 176.094 0.183 0.000 1.061 16 V CA -0.811 61.567 62.300 0.130 0.000 0.931 16 V CB 1.761 33.609 31.823 0.041 0.000 1.010 16 V HN 0.984 nan 8.190 nan 0.000 0.433 17 E N 5.408 125.718 120.200 0.183 0.000 2.338 17 E HA 0.499 4.849 4.350 -0.000 0.000 0.272 17 E C -0.810 175.839 176.600 0.083 0.000 1.029 17 E CA -0.210 56.286 56.400 0.159 0.000 0.872 17 E CB 0.896 30.712 29.700 0.193 0.000 1.015 17 E HN 0.689 nan 8.360 nan 0.000 0.417 18 M N 1.832 121.464 119.600 0.053 0.000 2.664 18 M HA 0.334 4.814 4.480 -0.000 0.000 0.279 18 M C -0.803 175.507 176.300 0.017 0.000 1.275 18 M CA -0.949 54.357 55.300 0.009 0.000 0.829 18 M CB 2.519 35.104 32.600 -0.024 0.000 1.727 18 M HN 0.590 nan 8.290 nan 0.000 0.459 19 T N -0.418 114.140 114.554 0.008 0.000 2.893 19 T HA 0.838 5.188 4.350 -0.000 0.000 0.291 19 T C -0.794 173.917 174.700 0.019 0.000 1.028 19 T CA -0.787 61.321 62.100 0.013 0.000 0.995 19 T CB 1.669 70.545 68.868 0.013 0.000 1.051 19 T HN 0.727 nan 8.240 nan 0.000 0.470 20 V N -1.102 118.813 119.914 0.002 0.000 2.789 20 V HA 0.990 5.110 4.120 -0.000 0.000 0.311 20 V C 0.462 176.591 176.094 0.058 0.000 1.073 20 V CA 0.125 62.414 62.300 -0.018 0.000 0.921 20 V CB 0.683 32.354 31.823 -0.254 0.000 1.009 20 V HN 2.085 nan 8.190 nan 0.000 0.426 21 G N 2.991 111.864 108.800 0.121 0.000 2.796 21 G HA2 0.146 4.106 3.960 -0.000 0.000 0.571 21 G HA3 0.146 4.106 3.960 -0.000 0.000 0.571 21 G C -0.380 174.594 174.900 0.123 0.000 1.370 21 G CA -0.279 44.934 45.100 0.188 0.000 0.856 21 G HN 1.918 nan 8.290 nan 0.000 0.538 22 S N 2.234 118.005 115.700 0.119 0.000 2.733 22 S HA 0.696 5.166 4.470 -0.000 0.000 0.294 22 S C -2.278 172.363 174.600 0.068 0.000 1.149 22 S CA -0.535 57.713 58.200 0.080 0.000 1.034 22 S CB 2.861 66.104 63.200 0.072 0.000 1.015 22 S HN 0.813 nan 8.310 nan 0.000 0.486 23 P HA 0.284 nan 4.420 nan 0.000 0.272 23 P C -2.925 174.405 177.300 0.049 0.000 1.240 23 P CA -1.631 61.493 63.100 0.041 0.000 0.791 23 P CB -0.826 30.890 31.700 0.026 0.000 0.978 24 P HA 0.079 nan 4.420 nan 0.000 0.263 24 P C -0.505 176.816 177.300 0.034 0.000 1.195 24 P CA 0.723 63.847 63.100 0.039 0.000 0.762 24 P CB 0.041 31.756 31.700 0.024 0.000 0.799 25 Q N 1.824 121.650 119.800 0.044 0.000 2.372 25 Q HA 0.269 4.608 4.340 -0.000 0.000 0.259 25 Q C -0.253 175.758 176.000 0.017 0.000 0.993 25 Q CA -0.439 55.385 55.803 0.035 0.000 0.854 25 Q CB 0.935 29.720 28.738 0.078 0.000 1.231 25 Q HN 0.361 nan 8.270 nan 0.000 0.462 26 T N 3.797 118.357 114.554 0.010 0.000 2.851 26 T HA 0.411 4.761 4.350 -0.000 0.000 0.298 26 T C -0.107 174.598 174.700 0.007 0.000 0.977 26 T CA 0.010 62.118 62.100 0.013 0.000 1.126 26 T CB 0.265 69.144 68.868 0.018 0.000 0.916 26 T HN 0.347 nan 8.240 nan 0.000 0.529 27 L N 3.178 124.411 121.223 0.016 0.000 2.434 27 L HA 0.443 4.783 4.340 -0.000 0.000 0.260 27 L C -0.169 176.725 176.870 0.040 0.000 0.983 27 L CA -0.998 53.850 54.840 0.013 0.000 0.820 27 L CB 2.349 44.408 42.059 -0.001 0.000 1.361 27 L HN 0.572 nan 8.230 nan 0.000 0.410 28 N N 2.460 121.173 118.700 0.022 0.000 2.434 28 N HA 0.526 5.266 4.740 -0.000 0.000 0.272 28 N C -1.169 174.402 175.510 0.101 0.000 1.040 28 N CA -0.580 52.498 53.050 0.046 0.000 0.956 28 N CB 1.375 39.747 38.487 -0.191 0.000 1.108 28 N HN 0.245 nan 8.380 nan 0.000 0.481 29 I N 3.111 123.768 120.570 0.144 0.000 2.418 29 I HA 0.214 4.384 4.170 -0.000 0.000 0.287 29 I C -0.100 176.025 176.117 0.013 0.000 1.008 29 I CA -0.782 60.577 61.300 0.099 0.000 1.104 29 I CB 1.340 39.406 38.000 0.109 0.000 1.264 29 I HN 0.442 nan 8.210 nan 0.000 0.438 30 L N 7.495 128.574 121.223 -0.239 0.000 2.455 30 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 30 L C -0.183 176.531 176.870 -0.259 0.000 1.174 30 L CA 0.287 54.830 54.840 -0.494 0.000 0.869 30 L CB 0.743 42.038 42.059 -1.274 0.000 1.130 30 L HN 0.344 nan 8.230 nan 0.000 0.474 31 V N 5.008 124.820 119.914 -0.170 0.000 2.408 31 V HA 0.217 4.337 4.120 -0.000 0.000 0.267 31 V C -0.374 175.636 176.094 -0.139 0.000 1.047 31 V CA -0.192 62.021 62.300 -0.145 0.000 0.937 31 V CB 0.954 32.708 31.823 -0.115 0.000 0.999 31 V HN 0.786 nan 8.190 nan 0.000 0.472 32 D N 2.986 123.311 120.400 -0.123 0.000 2.421 32 D HA 0.257 4.897 4.640 -0.000 0.000 0.254 32 D C 1.064 177.353 176.300 -0.018 0.000 1.238 32 D CA -0.196 53.769 54.000 -0.059 0.000 0.919 32 D CB 1.624 42.406 40.800 -0.032 0.000 1.152 32 D HN 0.578 nan 8.370 nan 0.000 0.552 33 T N -0.229 114.316 114.554 -0.014 0.000 3.160 33 T HA 0.125 4.475 4.350 -0.000 0.000 0.257 33 T C 1.621 176.457 174.700 0.226 0.000 1.147 33 T CA 0.280 62.422 62.100 0.069 0.000 1.064 33 T CB 0.238 69.047 68.868 -0.098 0.000 0.949 33 T HN 0.304 nan 8.240 nan 0.000 0.526 34 G N 0.980 109.889 108.800 0.181 0.000 3.042 34 G HA2 0.398 4.358 3.960 -0.000 0.000 0.212 34 G HA3 0.398 4.358 3.960 -0.000 0.000 0.212 34 G C 0.400 175.439 174.900 0.232 0.000 1.166 34 G CA 0.158 45.405 45.100 0.245 0.000 0.767 34 G HN 0.764 nan 8.290 nan 0.000 0.546 35 S N -2.060 113.733 115.700 0.155 0.000 2.705 35 S HA 0.648 5.118 4.470 -0.000 0.000 0.280 35 S C -0.012 174.620 174.600 0.054 0.000 1.174 35 S CA -0.253 58.014 58.200 0.111 0.000 0.823 35 S CB 1.825 65.207 63.200 0.304 0.000 1.162 35 S HN -0.080 nan 8.310 nan 0.000 0.487 36 S N 0.105 115.831 115.700 0.042 0.000 2.847 36 S HA 0.378 4.848 4.470 -0.000 0.000 0.254 36 S C -0.547 174.132 174.600 0.132 0.000 1.039 36 S CA -0.439 57.793 58.200 0.054 0.000 1.113 36 S CB -0.348 62.852 63.200 -0.000 0.000 1.092 36 S HN 0.682 nan 8.310 nan 0.000 0.620 37 N N 1.262 120.077 118.700 0.192 0.000 2.430 37 N HA 0.476 5.216 4.740 -0.000 0.000 0.292 37 N C -1.293 174.426 175.510 0.348 0.000 1.051 37 N CA -0.427 52.786 53.050 0.272 0.000 0.917 37 N CB 1.049 39.730 38.487 0.323 0.000 1.164 37 N HN 0.274 nan 8.380 nan 0.000 0.484 38 F N 2.089 122.127 119.950 0.147 0.000 2.391 38 F HA 0.690 5.217 4.527 -0.000 0.000 0.359 38 F C -0.441 175.379 175.800 0.034 0.000 1.122 38 F CA -0.592 57.449 58.000 0.067 0.000 1.120 38 F CB 0.369 39.402 39.000 0.055 0.000 1.142 38 F HN 0.468 nan 8.300 nan 0.000 0.483 39 A N 5.581 128.191 122.820 -0.351 0.000 2.515 39 A HA 0.765 5.085 4.320 -0.000 0.000 0.298 39 A C -1.513 175.761 177.584 -0.515 0.000 1.059 39 A CA -0.525 51.184 52.037 -0.547 0.000 0.698 39 A CB 1.741 20.257 19.000 -0.808 0.000 1.289 39 A HN 1.048 nan 8.150 nan 0.000 0.404 40 V N -0.642 119.008 119.914 -0.440 0.000 2.841 40 V HA 0.905 5.025 4.120 -0.000 0.000 0.310 40 V C 0.379 176.461 176.094 -0.021 0.000 1.090 40 V CA -0.231 61.956 62.300 -0.189 0.000 0.930 40 V CB 1.209 32.873 31.823 -0.265 0.000 1.014 40 V HN 1.784 nan 8.190 nan 0.000 0.425 41 G N 1.903 110.788 108.800 0.141 0.000 2.305 41 G HA2 0.501 4.461 3.960 -0.000 0.000 0.243 41 G HA3 0.501 4.461 3.960 -0.000 0.000 0.243 41 G C 0.556 175.518 174.900 0.103 0.000 1.288 41 G CA 0.178 45.341 45.100 0.105 0.000 0.901 41 G HN 1.977 nan 8.290 nan 0.000 0.516 42 A N 1.339 124.183 122.820 0.040 0.000 2.609 42 A HA 0.784 5.104 4.320 -0.000 0.000 0.286 42 A C 0.688 178.152 177.584 -0.200 0.000 1.138 42 A CA 0.739 52.811 52.037 0.059 0.000 0.960 42 A CB 0.113 19.131 19.000 0.030 0.000 1.208 42 A HN 1.916 nan 8.150 nan 0.000 0.541 43 A N 0.539 123.037 122.820 -0.538 0.000 2.604 43 A HA 0.753 5.073 4.320 -0.000 0.000 0.295 43 A C -3.226 173.763 177.584 -0.992 0.000 1.067 43 A CA -1.402 50.126 52.037 -0.848 0.000 0.683 43 A CB 0.889 19.686 19.000 -0.338 0.000 1.281 43 A HN 0.045 nan 8.150 nan 0.000 0.407 44 P HA 0.143 nan 4.420 nan 0.000 0.265 44 P C -0.950 176.255 177.300 -0.159 0.000 1.187 44 P CA 0.717 63.587 63.100 -0.383 0.000 0.766 44 P CB 0.389 31.988 31.700 -0.167 0.000 0.820 45 H N 2.739 121.701 119.070 -0.180 0.000 3.046 45 H HA 0.237 4.793 4.556 -0.000 0.000 0.363 45 H C -2.133 173.106 175.328 -0.148 0.000 1.203 45 H CA -1.643 54.299 56.048 -0.177 0.000 1.169 45 H CB 2.028 31.662 29.762 -0.214 0.000 1.851 45 H HN 0.056 nan 8.280 nan 0.000 0.546 46 P HA -0.089 nan 4.420 nan 0.000 0.217 46 P C 0.910 178.327 177.300 0.195 0.000 1.148 46 P CA 1.498 64.448 63.100 -0.250 0.000 0.828 46 P CB -0.012 31.348 31.700 -0.567 0.000 0.783 47 F N -2.256 117.892 119.950 0.331 0.000 2.727 47 F HA 0.181 4.708 4.527 -0.000 0.000 0.302 47 F C 0.925 176.696 175.800 -0.048 0.000 1.097 47 F CA -0.635 57.442 58.000 0.128 0.000 1.330 47 F CB 0.203 39.250 39.000 0.077 0.000 1.084 47 F HN -0.207 nan 8.300 nan 0.000 0.578 48 L N 0.319 121.628 121.223 0.143 0.000 2.295 48 L HA 0.280 4.620 4.340 -0.000 0.000 0.285 48 L C 0.687 177.685 176.870 0.212 0.000 1.035 48 L CA -0.639 54.185 54.840 -0.027 0.000 0.806 48 L CB 1.120 43.053 42.059 -0.210 0.000 1.214 48 L HN 0.023 nan 8.230 nan 0.000 0.426 49 H N 2.318 121.348 119.070 -0.067 0.000 2.562 49 H HA 0.165 4.721 4.556 -0.000 0.000 0.267 49 H C -0.006 175.295 175.328 -0.046 0.000 0.959 49 H CA 0.207 56.230 56.048 -0.043 0.000 1.204 49 H CB 0.305 30.030 29.762 -0.061 0.000 1.430 49 H HN 0.488 nan 8.280 nan 0.000 0.545 50 R N -1.022 119.519 120.500 0.069 0.000 2.716 50 R HA 0.430 4.770 4.340 -0.000 0.000 0.271 50 R C -1.737 174.565 176.300 0.003 0.000 1.028 50 R CA -1.071 54.995 56.100 -0.058 0.000 0.883 50 R CB 1.769 32.019 30.300 -0.083 0.000 1.250 50 R HN 0.052 nan 8.270 nan 0.000 0.465 51 Y N -2.163 118.117 120.300 -0.034 0.000 2.689 51 Y HA 0.472 5.022 4.550 -0.000 0.000 0.333 51 Y C -1.579 174.353 175.900 0.053 0.000 1.208 51 Y CA -1.717 56.368 58.100 -0.025 0.000 1.055 51 Y CB 0.515 38.940 38.460 -0.058 0.000 1.304 51 Y HN 0.595 nan 8.280 nan 0.000 0.455 52 Y N 2.811 123.176 120.300 0.109 0.000 2.544 52 Y HA 0.299 4.849 4.550 -0.000 0.000 0.330 52 Y C -0.465 175.478 175.900 0.072 0.000 1.136 52 Y CA -0.554 57.560 58.100 0.024 0.000 1.417 52 Y CB 0.770 39.221 38.460 -0.016 0.000 1.229 52 Y HN 0.686 nan 8.280 nan 0.000 0.532 53 Q N 7.424 127.176 119.800 -0.079 0.000 2.506 53 Q HA 0.271 4.611 4.340 -0.000 0.000 0.242 53 Q C 0.924 176.635 176.000 -0.481 0.000 1.060 53 Q CA -0.466 55.204 55.803 -0.223 0.000 0.826 53 Q CB 1.049 29.713 28.738 -0.124 0.000 1.169 53 Q HN 0.820 nan 8.270 nan 0.000 0.521 54 R N 0.893 120.890 120.500 -0.839 0.000 2.091 54 R HA -0.201 4.139 4.340 -0.000 0.000 0.238 54 R C 1.529 177.520 176.300 -0.516 0.000 1.136 54 R CA 1.579 57.079 56.100 -1.001 0.000 0.959 54 R CB 0.131 29.582 30.300 -1.415 0.000 0.856 54 R HN 0.589 nan 8.270 nan 0.000 0.437 55 Q N 0.210 119.809 119.800 -0.335 0.000 2.364 55 Q HA -0.081 4.259 4.340 -0.000 0.000 0.209 55 Q C 1.553 177.501 176.000 -0.087 0.000 0.977 55 Q CA 0.795 56.505 55.803 -0.155 0.000 0.885 55 Q CB 0.118 28.792 28.738 -0.107 0.000 0.941 55 Q HN 0.408 nan 8.270 nan 0.000 0.464 56 L N -0.345 120.817 121.223 -0.101 0.000 2.607 56 L HA 0.146 4.486 4.340 -0.000 0.000 0.228 56 L C 0.694 177.565 176.870 0.001 0.000 1.123 56 L CA -0.221 54.594 54.840 -0.042 0.000 0.890 56 L CB 0.580 42.611 42.059 -0.046 0.000 1.103 56 L HN -0.100 nan 8.230 nan 0.000 0.468 57 S N -0.549 115.159 115.700 0.012 0.000 2.438 57 S HA 0.167 4.636 4.470 -0.000 0.000 0.316 57 S C 1.235 175.910 174.600 0.124 0.000 1.084 57 S CA -0.450 57.810 58.200 0.099 0.000 1.107 57 S CB 1.289 64.605 63.200 0.193 0.000 0.981 57 S HN 0.310 nan 8.310 nan 0.000 0.466 58 S N 3.070 118.830 115.700 0.100 0.000 2.447 58 S HA -0.094 4.376 4.470 -0.000 0.000 0.233 58 S C 1.423 176.087 174.600 0.106 0.000 1.006 58 S CA 1.180 59.434 58.200 0.090 0.000 0.957 58 S CB -0.757 62.480 63.200 0.061 0.000 0.773 58 S HN 0.859 nan 8.310 nan 0.000 0.507 59 T N -2.237 112.396 114.554 0.131 0.000 3.086 59 T HA 0.223 4.573 4.350 -0.000 0.000 0.250 59 T C 0.214 175.007 174.700 0.156 0.000 1.074 59 T CA -0.631 61.540 62.100 0.119 0.000 0.988 59 T CB -0.725 68.205 68.868 0.104 0.000 0.988 59 T HN 0.430 nan 8.240 nan 0.000 0.530 60 Y N 3.263 123.616 120.300 0.088 0.000 2.526 60 Y HA 0.377 4.927 4.550 -0.000 0.000 0.330 60 Y C 0.085 176.028 175.900 0.072 0.000 1.156 60 Y CA -1.071 57.091 58.100 0.103 0.000 1.419 60 Y CB 0.380 38.882 38.460 0.070 0.000 1.250 60 Y HN 0.053 nan 8.280 nan 0.000 0.540 61 R N 4.880 124.961 120.500 -0.698 0.000 2.439 61 R HA 0.168 4.508 4.340 -0.000 0.000 0.310 61 R C -1.490 174.310 176.300 -0.833 0.000 0.955 61 R CA -1.004 54.725 56.100 -0.618 0.000 0.853 61 R CB 1.119 31.281 30.300 -0.231 0.000 1.171 61 R HN 0.634 nan 8.270 nan 0.000 0.449 62 D N 3.827 123.811 120.400 -0.695 0.000 2.339 62 D HA 0.072 4.712 4.640 -0.000 0.000 0.241 62 D C 0.659 176.898 176.300 -0.102 0.000 1.183 62 D CA -0.162 53.658 54.000 -0.299 0.000 0.859 62 D CB 1.054 41.817 40.800 -0.061 0.000 1.067 62 D HN 0.492 nan 8.370 nan 0.000 0.484 63 L N 3.549 124.756 121.223 -0.027 0.000 2.599 63 L HA 0.147 4.487 4.340 -0.000 0.000 0.230 63 L C 0.976 177.863 176.870 0.029 0.000 1.141 63 L CA -0.051 54.793 54.840 0.006 0.000 0.877 63 L CB -0.210 41.869 42.059 0.033 0.000 1.009 63 L HN 0.461 nan 8.230 nan 0.000 0.447 64 R N 0.790 121.316 120.500 0.044 0.000 3.322 64 R HA -0.207 4.133 4.340 -0.000 0.000 0.253 64 R C -0.048 176.283 176.300 0.052 0.000 0.987 64 R CA 0.656 56.786 56.100 0.050 0.000 0.666 64 R CB -1.589 28.731 30.300 0.033 0.000 1.072 64 R HN 0.265 nan 8.270 nan 0.000 0.447 65 K N -0.085 120.355 120.400 0.067 0.000 2.535 65 K HA 0.425 4.744 4.320 -0.000 0.000 0.251 65 K C -0.011 176.641 176.600 0.086 0.000 0.942 65 K CA -0.142 56.185 56.287 0.066 0.000 0.798 65 K CB 1.757 34.294 32.500 0.061 0.000 1.267 65 K HN 0.168 nan 8.250 nan 0.000 0.434 66 G N 1.397 110.246 108.800 0.081 0.000 2.537 66 G HA2 0.524 4.484 3.960 -0.000 0.000 0.273 66 G HA3 0.524 4.484 3.960 -0.000 0.000 0.273 66 G C -1.179 173.789 174.900 0.113 0.000 1.189 66 G CA -0.462 44.698 45.100 0.101 0.000 0.881 66 G HN 0.437 nan 8.290 nan 0.000 0.535 67 V N 0.380 120.385 119.914 0.151 0.000 3.048 67 V HA 0.708 4.828 4.120 -0.000 0.000 0.303 67 V C -2.108 174.062 176.094 0.127 0.000 1.214 67 V CA -0.980 61.401 62.300 0.135 0.000 0.984 67 V CB 2.003 33.928 31.823 0.171 0.000 1.054 67 V HN 0.884 nan 8.190 nan 0.000 0.430 68 Y N 5.038 125.237 120.300 -0.168 0.000 2.406 68 Y HA 0.814 5.364 4.550 -0.000 0.000 0.340 68 Y C -1.352 174.204 175.900 -0.574 0.000 0.975 68 Y CA -0.833 57.072 58.100 -0.325 0.000 1.056 68 Y CB 2.218 40.560 38.460 -0.197 0.000 1.210 68 Y HN 0.490 nan 8.280 nan 0.000 0.448 69 V N 8.876 127.802 119.914 -1.647 0.000 2.488 69 V HA 0.485 4.604 4.120 -0.000 0.000 0.293 69 V C -2.580 172.517 176.094 -1.662 0.000 1.027 69 V CA -1.494 59.823 62.300 -1.639 0.000 0.862 69 V CB 1.834 32.636 31.823 -1.701 0.000 1.008 69 V HN 0.685 nan 8.190 nan 0.000 0.428 70 P HA 0.591 nan 4.420 nan 0.000 0.293 70 P C -1.734 175.162 177.300 -0.673 0.000 1.291 70 P CA -0.538 62.096 63.100 -0.776 0.000 0.867 70 P CB 1.830 33.254 31.700 -0.460 0.000 1.074 71 Y N -1.002 119.207 120.300 -0.151 0.000 2.659 71 Y HA 0.283 4.832 4.550 -0.000 0.000 0.333 71 Y C 2.279 178.178 175.900 -0.002 0.000 1.064 71 Y CA -0.419 57.659 58.100 -0.037 0.000 1.141 71 Y CB 0.483 38.977 38.460 0.057 0.000 1.316 71 Y HN 0.182 nan 8.280 nan 0.000 0.509 72 T N -0.119 114.551 114.554 0.194 0.000 2.699 72 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 72 T C 0.064 174.828 174.700 0.105 0.000 1.036 72 T CA 1.568 63.729 62.100 0.101 0.000 1.147 72 T CB -0.206 68.703 68.868 0.068 0.000 0.862 72 T HN 0.410 nan 8.240 nan 0.000 0.446 73 Q N -0.410 119.478 119.800 0.147 0.000 2.274 73 Q HA 0.509 4.849 4.340 -0.000 0.000 0.268 73 Q C -0.331 175.786 176.000 0.194 0.000 1.015 73 Q CA -0.461 55.421 55.803 0.133 0.000 0.775 73 Q CB 2.471 31.265 28.738 0.093 0.000 1.256 73 Q HN 0.475 nan 8.270 nan 0.000 0.442 74 G N 2.415 111.339 108.800 0.206 0.000 2.663 74 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.686 74 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.686 74 G C -1.202 173.889 174.900 0.319 0.000 1.246 74 G CA -0.444 44.825 45.100 0.283 0.000 0.795 74 G HN 0.673 nan 8.290 nan 0.000 0.627 75 K N -0.549 120.005 120.400 0.258 0.000 2.625 75 K HA 0.761 5.081 4.320 -0.000 0.000 0.284 75 K C -0.724 175.874 176.600 -0.003 0.000 0.984 75 K CA -1.021 55.277 56.287 0.019 0.000 0.865 75 K CB 1.681 34.161 32.500 -0.032 0.000 1.468 75 K HN 1.699 nan 8.250 nan 0.000 0.407 76 W N 0.268 121.450 121.300 -0.197 0.000 3.074 76 W HA 0.564 5.224 4.660 -0.000 0.000 0.332 76 W C -1.572 174.918 176.519 -0.048 0.000 1.253 76 W CA -0.644 56.600 57.345 -0.167 0.000 1.180 76 W CB 1.063 30.270 29.460 -0.422 0.000 1.445 76 W HN 0.634 nan 8.180 nan 0.000 0.573 77 E N 0.498 120.983 120.200 0.473 0.000 2.238 77 E HA 0.671 5.020 4.350 -0.000 0.000 0.267 77 E C -0.265 176.626 176.600 0.485 0.000 0.887 77 E CA -0.662 55.985 56.400 0.412 0.000 0.769 77 E CB 2.757 32.613 29.700 0.262 0.000 1.187 77 E HN 0.692 nan 8.360 nan 0.000 0.416 78 G N 1.384 110.447 108.800 0.439 0.000 2.682 78 G HA2 0.435 4.395 3.960 -0.000 0.000 0.303 78 G HA3 0.435 4.395 3.960 -0.000 0.000 0.303 78 G C -1.370 173.661 174.900 0.218 0.000 1.341 78 G CA -0.637 44.642 45.100 0.299 0.000 0.784 78 G HN 0.393 nan 8.290 nan 0.000 0.497 79 E N -0.151 120.146 120.200 0.162 0.000 2.210 79 E HA 0.467 4.817 4.350 -0.000 0.000 0.266 79 E C -0.572 176.129 176.600 0.168 0.000 0.883 79 E CA -0.508 55.981 56.400 0.148 0.000 0.761 79 E CB 2.594 32.367 29.700 0.121 0.000 1.156 79 E HN 0.275 nan 8.360 nan 0.000 0.412 80 L N 2.080 123.400 121.223 0.162 0.000 2.395 80 L HA 0.693 5.032 4.340 -0.000 0.000 0.269 80 L C 0.717 177.688 176.870 0.168 0.000 1.133 80 L CA -0.086 54.852 54.840 0.162 0.000 0.812 80 L CB 0.946 43.085 42.059 0.134 0.000 1.125 80 L HN 0.707 nan 8.230 nan 0.000 0.452 81 G N 0.256 109.163 108.800 0.179 0.000 2.489 81 G HA2 0.572 4.532 3.960 -0.000 0.000 0.305 81 G HA3 0.572 4.532 3.960 -0.000 0.000 0.305 81 G C -1.313 173.671 174.900 0.140 0.000 1.311 81 G CA -0.043 45.137 45.100 0.134 0.000 0.813 81 G HN 0.605 nan 8.290 nan 0.000 0.480 82 T N -2.023 112.578 114.554 0.080 0.000 2.896 82 T HA 0.773 5.123 4.350 -0.000 0.000 0.297 82 T C -1.558 173.238 174.700 0.160 0.000 1.108 82 T CA -0.598 61.577 62.100 0.123 0.000 1.004 82 T CB 2.975 71.884 68.868 0.068 0.000 1.159 82 T HN 0.681 nan 8.240 nan 0.000 0.499 83 D N -0.072 120.443 120.400 0.191 0.000 2.692 83 D HA 0.369 5.008 4.640 -0.000 0.000 0.290 83 D C -0.976 175.420 176.300 0.160 0.000 1.281 83 D CA -0.636 53.487 54.000 0.206 0.000 0.804 83 D CB 1.849 42.836 40.800 0.312 0.000 1.331 83 D HN 0.687 nan 8.370 nan 0.000 0.432 84 L N 0.870 122.176 121.223 0.138 0.000 2.349 84 L HA 0.559 4.899 4.340 -0.000 0.000 0.275 84 L C -0.179 176.761 176.870 0.117 0.000 1.115 84 L CA -0.653 54.252 54.840 0.108 0.000 0.820 84 L CB 1.248 43.355 42.059 0.081 0.000 1.135 84 L HN 0.078 nan 8.230 nan 0.000 0.445 85 V N 1.733 121.723 119.914 0.126 0.000 2.789 85 V HA 0.556 4.676 4.120 -0.000 0.000 0.311 85 V C -0.360 175.794 176.094 0.100 0.000 1.073 85 V CA -0.446 61.930 62.300 0.126 0.000 0.921 85 V CB 2.152 34.092 31.823 0.194 0.000 1.009 85 V HN 0.857 nan 8.190 nan 0.000 0.426 86 S N 3.594 119.325 115.700 0.052 0.000 2.595 86 S HA 0.761 5.231 4.470 -0.000 0.000 0.281 86 S C -0.839 173.763 174.600 0.003 0.000 1.117 86 S CA -0.588 57.633 58.200 0.035 0.000 0.873 86 S CB 2.070 65.279 63.200 0.016 0.000 1.108 86 S HN 0.560 nan 8.310 nan 0.000 0.477 87 I N 2.487 123.059 120.570 0.004 0.000 2.495 87 I HA 0.281 4.451 4.170 -0.000 0.000 0.277 87 I C -2.076 174.021 176.117 -0.034 0.000 1.045 87 I CA -2.142 59.153 61.300 -0.009 0.000 1.135 87 I CB 1.926 39.934 38.000 0.014 0.000 1.241 87 I HN 0.388 nan 8.210 nan 0.000 0.469 88 P HA -0.200 nan 4.420 nan 0.000 0.218 88 P C 0.505 177.561 177.300 -0.407 0.000 1.154 88 P CA 1.623 64.568 63.100 -0.258 0.000 0.872 88 P CB 0.037 31.550 31.700 -0.311 0.000 0.790 89 H N -1.504 117.583 119.070 0.029 0.000 2.507 89 H HA 0.525 5.081 4.556 -0.000 0.000 0.271 89 H C 0.918 176.268 175.328 0.036 0.000 1.224 89 H CA 0.019 56.086 56.048 0.031 0.000 1.000 89 H CB 0.052 29.832 29.762 0.029 0.000 1.663 89 H HN 0.113 nan 8.280 nan 0.000 0.548 90 G N 0.912 109.760 108.800 0.080 0.000 3.166 90 G HA2 0.320 4.280 3.960 -0.000 0.000 0.267 90 G HA3 0.320 4.280 3.960 -0.000 0.000 0.267 90 G C -2.661 172.275 174.900 0.059 0.000 1.256 90 G CA -1.280 43.868 45.100 0.081 0.000 0.859 90 G HN -0.070 nan 8.290 nan 0.000 0.590 91 P HA 0.073 nan 4.420 nan 0.000 0.269 91 P C -0.650 176.663 177.300 0.022 0.000 1.215 91 P CA -0.306 62.818 63.100 0.040 0.000 0.780 91 P CB 0.788 32.508 31.700 0.033 0.000 0.898 92 N N 1.767 120.478 118.700 0.018 0.000 3.178 92 N HA 0.167 4.906 4.740 -0.000 0.000 0.300 92 N C -0.403 175.109 175.510 0.005 0.000 1.242 92 N CA 0.013 53.068 53.050 0.008 0.000 1.192 92 N CB -0.757 37.735 38.487 0.009 0.000 1.463 92 N HN 0.218 nan 8.380 nan 0.000 0.539 93 V N -1.639 118.276 119.914 0.001 0.000 3.181 93 V HA 0.712 4.832 4.120 -0.000 0.000 0.308 93 V C -0.127 175.966 176.094 -0.003 0.000 1.214 93 V CA -0.742 61.553 62.300 -0.009 0.000 1.053 93 V CB 1.950 33.754 31.823 -0.032 0.000 1.069 93 V HN 0.065 nan 8.190 nan 0.000 0.441 94 T N 1.673 116.221 114.554 -0.009 0.000 2.881 94 T HA 0.760 5.110 4.350 -0.000 0.000 0.290 94 T C -0.609 174.084 174.700 -0.012 0.000 1.000 94 T CA -0.276 61.829 62.100 0.007 0.000 0.978 94 T CB 1.441 70.317 68.868 0.013 0.000 0.997 94 T HN 1.593 nan 8.240 nan 0.000 0.443 95 V N 1.224 121.139 119.914 0.002 0.000 3.040 95 V HA 0.753 4.873 4.120 -0.000 0.000 0.312 95 V C -0.507 175.596 176.094 0.015 0.000 1.115 95 V CA -1.526 60.750 62.300 -0.040 0.000 0.998 95 V CB 2.059 33.789 31.823 -0.155 0.000 1.042 95 V HN 0.829 nan 8.190 nan 0.000 0.433 96 R N 1.832 122.329 120.500 -0.004 0.000 2.207 96 R HA 0.800 5.140 4.340 -0.000 0.000 0.334 96 R C -0.303 176.024 176.300 0.044 0.000 1.013 96 R CA 0.317 56.440 56.100 0.039 0.000 0.858 96 R CB 0.929 31.243 30.300 0.024 0.000 1.094 96 R HN 1.260 nan 8.270 nan 0.000 0.457 97 A N 3.965 126.862 122.820 0.128 0.000 2.479 97 A HA 0.458 4.778 4.320 -0.000 0.000 0.296 97 A C -1.046 176.678 177.584 0.233 0.000 1.121 97 A CA -1.065 51.078 52.037 0.175 0.000 0.743 97 A CB 1.307 20.497 19.000 0.317 0.000 1.323 97 A HN 0.757 nan 8.150 nan 0.000 0.415 98 N N 0.296 119.138 118.700 0.236 0.000 2.518 98 N HA 0.441 5.181 4.740 -0.000 0.000 0.266 98 N C -0.904 174.800 175.510 0.323 0.000 1.196 98 N CA 0.561 53.750 53.050 0.230 0.000 0.947 98 N CB 0.682 39.284 38.487 0.193 0.000 1.098 98 N HN 0.513 nan 8.380 nan 0.000 0.450 99 I N 0.719 121.422 120.570 0.221 0.000 2.571 99 I HA 0.318 4.488 4.170 -0.000 0.000 0.289 99 I C -0.492 175.665 176.117 0.067 0.000 1.115 99 I CA -1.003 60.343 61.300 0.078 0.000 1.045 99 I CB 2.002 40.000 38.000 -0.003 0.000 1.238 99 I HN 0.364 nan 8.210 nan 0.000 0.424 100 A N 4.819 127.617 122.820 -0.036 0.000 2.260 100 A HA 0.792 5.112 4.320 -0.000 0.000 0.308 100 A C 0.125 177.643 177.584 -0.111 0.000 1.254 100 A CA -0.444 51.596 52.037 0.005 0.000 0.874 100 A CB 0.739 19.781 19.000 0.071 0.000 1.153 100 A HN 0.803 nan 8.150 nan 0.000 0.527 101 A N 3.911 126.751 122.820 0.033 0.000 2.310 101 A HA 0.546 4.866 4.320 -0.000 0.000 0.300 101 A C 0.069 177.633 177.584 -0.032 0.000 1.269 101 A CA -0.328 51.736 52.037 0.045 0.000 0.909 101 A CB -0.403 18.654 19.000 0.096 0.000 1.144 101 A HN 0.769 nan 8.150 nan 0.000 0.540 102 I N 3.434 123.925 120.570 -0.132 0.000 2.517 102 I HA 0.061 4.231 4.170 -0.000 0.000 0.285 102 I C 1.514 177.650 176.117 0.031 0.000 1.106 102 I CA 0.336 61.572 61.300 -0.106 0.000 1.402 102 I CB 1.051 38.912 38.000 -0.233 0.000 1.399 102 I HN 0.847 nan 8.210 nan 0.000 0.535 103 T N 1.062 115.665 114.554 0.083 0.000 2.990 103 T HA 0.270 4.620 4.350 -0.000 0.000 0.250 103 T C 0.509 175.268 174.700 0.099 0.000 1.041 103 T CA -0.067 62.070 62.100 0.062 0.000 1.010 103 T CB 0.483 69.382 68.868 0.052 0.000 1.003 103 T HN 0.420 nan 8.240 nan 0.000 0.499 104 E N 1.404 121.702 120.200 0.162 0.000 2.343 104 E HA 0.611 4.961 4.350 -0.000 0.000 0.278 104 E C -1.263 175.482 176.600 0.242 0.000 0.910 104 E CA -0.453 56.054 56.400 0.179 0.000 0.757 104 E CB 2.379 32.165 29.700 0.143 0.000 1.218 104 E HN 0.422 nan 8.360 nan 0.000 0.435 105 S N 0.709 116.559 115.700 0.251 0.000 2.570 105 S HA 0.670 5.140 4.470 -0.000 0.000 0.270 105 S C -1.546 173.201 174.600 0.246 0.000 1.149 105 S CA -0.950 57.406 58.200 0.259 0.000 0.837 105 S CB 2.476 65.819 63.200 0.237 0.000 1.124 105 S HN 0.311 nan 8.310 nan 0.000 0.465 106 D N 0.324 120.865 120.400 0.235 0.000 2.736 106 D HA 0.416 5.056 4.640 -0.000 0.000 0.243 106 D C -0.805 175.634 176.300 0.231 0.000 1.304 106 D CA -0.402 53.724 54.000 0.210 0.000 0.934 106 D CB 0.905 41.803 40.800 0.163 0.000 1.382 106 D HN 0.714 nan 8.370 nan 0.000 0.571 107 K N 2.182 122.723 120.400 0.234 0.000 3.016 107 K HA -0.260 4.059 4.320 -0.000 0.000 0.262 107 K C 0.115 176.855 176.600 0.232 0.000 1.043 107 K CA 0.553 56.974 56.287 0.223 0.000 0.761 107 K CB -1.236 31.369 32.500 0.175 0.000 1.230 107 K HN 0.455 nan 8.250 nan 0.000 0.485 108 F N 0.200 120.177 119.950 0.045 0.000 2.387 108 F HA 0.252 4.779 4.527 -0.000 0.000 0.278 108 F C 0.728 176.459 175.800 -0.114 0.000 1.010 108 F CA 0.042 58.001 58.000 -0.070 0.000 1.236 108 F CB 0.252 39.137 39.000 -0.193 0.000 1.137 108 F HN -0.049 nan 8.300 nan 0.000 0.604 109 F N 1.972 121.869 119.950 -0.089 0.000 2.506 109 F HA 0.249 4.776 4.527 -0.000 0.000 0.351 109 F C 0.095 175.753 175.800 -0.236 0.000 1.136 109 F CA -0.060 57.674 58.000 -0.444 0.000 1.298 109 F CB 0.285 39.021 39.000 -0.441 0.000 1.145 109 F HN -0.250 nan 8.300 nan 0.000 0.593 110 I N 2.588 122.917 120.570 -0.402 0.000 2.362 110 I HA 0.130 4.300 4.170 -0.000 0.000 0.289 110 I C -0.051 175.716 176.117 -0.582 0.000 0.994 110 I CA -0.604 60.469 61.300 -0.378 0.000 1.158 110 I CB 1.386 39.196 38.000 -0.318 0.000 1.315 110 I HN 0.598 nan 8.210 nan 0.000 0.451 111 N N 4.438 122.552 118.700 -0.978 0.000 2.411 111 N HA 0.031 4.771 4.740 -0.000 0.000 0.261 111 N C 1.143 176.334 175.510 -0.530 0.000 1.248 111 N CA 1.126 53.526 53.050 -1.084 0.000 0.885 111 N CB 0.444 38.094 38.487 -1.395 0.000 1.062 111 N HN 0.984 nan 8.380 nan 0.000 0.471 112 G N 1.515 110.078 108.800 -0.396 0.000 2.184 112 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.264 112 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.264 112 G C 0.934 175.665 174.900 -0.281 0.000 0.975 112 G CA 0.718 45.649 45.100 -0.282 0.000 0.642 112 G HN 0.763 nan 8.290 nan 0.000 0.536 113 S N -0.040 115.426 115.700 -0.390 0.000 2.453 113 S HA 0.005 4.475 4.470 -0.000 0.000 0.231 113 S C 1.392 175.801 174.600 -0.318 0.000 1.005 113 S CA 1.357 59.355 58.200 -0.337 0.000 0.949 113 S CB -0.199 62.615 63.200 -0.644 0.000 0.774 113 S HN 1.586 nan 8.310 nan 0.000 0.510 114 N N 0.457 118.867 118.700 -0.484 0.000 2.878 114 N HA -0.117 4.623 4.740 -0.000 0.000 0.247 114 N C -0.467 174.652 175.510 -0.652 0.000 1.021 114 N CA 1.441 54.177 53.050 -0.523 0.000 0.873 114 N CB -1.824 36.451 38.487 -0.353 0.000 1.128 114 N HN 0.888 nan 8.380 nan 0.000 0.571 115 W N -0.671 120.288 121.300 -0.568 0.000 2.689 115 W HA 0.696 5.356 4.660 -0.000 0.000 0.340 115 W C 0.135 176.516 176.519 -0.231 0.000 1.060 115 W CA -0.656 56.410 57.345 -0.464 0.000 1.218 115 W CB 0.610 29.864 29.460 -0.343 0.000 1.410 115 W HN -0.071 nan 8.180 nan 0.000 0.528 116 E N 1.461 121.768 120.200 0.179 0.000 2.562 116 E HA 0.336 4.686 4.350 -0.000 0.000 0.214 116 E C 0.620 177.423 176.600 0.339 0.000 0.979 116 E CA 0.059 56.510 56.400 0.084 0.000 1.002 116 E CB 1.453 31.122 29.700 -0.053 0.000 1.048 116 E HN 0.635 nan 8.360 nan 0.000 0.488 117 G N 0.105 109.182 108.800 0.462 0.000 2.663 117 G HA2 0.641 4.601 3.960 -0.000 0.000 0.299 117 G HA3 0.641 4.601 3.960 -0.000 0.000 0.299 117 G C -1.756 173.266 174.900 0.204 0.000 1.372 117 G CA -0.699 44.587 45.100 0.310 0.000 0.781 117 G HN 0.064 nan 8.290 nan 0.000 0.491 118 I N -0.469 120.168 120.570 0.111 0.000 2.619 118 I HA 0.647 4.817 4.170 -0.000 0.000 0.292 118 I C -1.664 174.563 176.117 0.183 0.000 1.100 118 I CA -1.198 60.137 61.300 0.058 0.000 1.043 118 I CB 2.170 40.278 38.000 0.180 0.000 1.239 118 I HN 0.457 nan 8.210 nan 0.000 0.420 119 L N 7.829 129.116 121.223 0.107 0.000 2.313 119 L HA 0.631 4.971 4.340 -0.000 0.000 0.273 119 L C 0.031 176.932 176.870 0.050 0.000 1.028 119 L CA -0.067 54.839 54.840 0.110 0.000 0.871 119 L CB 0.819 42.814 42.059 -0.106 0.000 1.242 119 L HN 0.639 nan 8.230 nan 0.000 0.434 120 G N 5.053 113.940 108.800 0.145 0.000 2.360 120 G HA2 0.358 4.318 3.960 -0.000 0.000 0.279 120 G HA3 0.358 4.318 3.960 -0.000 0.000 0.279 120 G C 0.467 175.395 174.900 0.047 0.000 1.189 120 G CA -0.379 44.789 45.100 0.113 0.000 0.941 120 G HN 0.735 nan 8.290 nan 0.000 0.445 121 L N 1.997 123.203 121.223 -0.027 0.000 2.607 121 L HA 0.255 4.595 4.340 -0.000 0.000 0.228 121 L C 1.875 178.751 176.870 0.009 0.000 1.123 121 L CA -0.133 54.650 54.840 -0.095 0.000 0.890 121 L CB -0.065 41.751 42.059 -0.405 0.000 1.103 121 L HN 0.581 nan 8.230 nan 0.000 0.468 122 A N -0.911 121.881 122.820 -0.046 0.000 2.250 122 A HA 0.405 4.725 4.320 -0.000 0.000 0.283 122 A C -0.639 176.725 177.584 -0.367 0.000 1.206 122 A CA -0.238 51.587 52.037 -0.355 0.000 0.840 122 A CB 0.043 18.892 19.000 -0.250 0.000 1.220 122 A HN 0.098 nan 8.150 nan 0.000 0.505 123 Y N -1.246 118.943 120.300 -0.186 0.000 2.314 123 Y HA 0.369 4.919 4.550 -0.000 0.000 0.334 123 Y C 1.711 177.595 175.900 -0.027 0.000 1.266 123 Y CA 0.351 58.414 58.100 -0.061 0.000 1.391 123 Y CB 0.621 39.053 38.460 -0.045 0.000 1.306 123 Y HN 0.682 nan 8.280 nan 0.000 0.558 124 A N 0.980 123.919 122.820 0.197 0.000 1.986 124 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 124 A C 2.017 179.653 177.584 0.087 0.000 1.171 124 A CA 1.960 54.066 52.037 0.115 0.000 0.640 124 A CB -0.872 18.193 19.000 0.109 0.000 0.811 124 A HN 0.954 nan 8.150 nan 0.000 0.451 125 E N 0.518 120.784 120.200 0.111 0.000 2.187 125 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 125 E C 1.461 178.103 176.600 0.070 0.000 1.004 125 E CA 1.796 58.251 56.400 0.091 0.000 0.813 125 E CB -0.375 29.402 29.700 0.129 0.000 0.736 125 E HN 0.818 nan 8.360 nan 0.000 0.468 126 I N -2.605 117.972 120.570 0.011 0.000 3.914 126 I HA 0.475 4.645 4.170 -0.000 0.000 0.333 126 I C 0.450 176.511 176.117 -0.094 0.000 1.449 126 I CA -0.580 60.664 61.300 -0.093 0.000 1.135 126 I CB 0.340 38.114 38.000 -0.377 0.000 1.073 126 I HN 0.012 nan 8.210 nan 0.000 0.401 127 A N 1.852 124.655 122.820 -0.029 0.000 2.351 127 A HA 0.636 4.956 4.320 -0.000 0.000 0.257 127 A C 0.068 177.635 177.584 -0.029 0.000 1.087 127 A CA -0.341 51.689 52.037 -0.012 0.000 0.798 127 A CB 0.453 19.476 19.000 0.039 0.000 1.033 127 A HN 0.340 nan 8.150 nan 0.000 0.488 128 R N 1.315 121.786 120.500 -0.047 0.000 2.604 128 R HA 0.404 4.744 4.340 -0.000 0.000 0.287 128 R C -2.269 174.032 176.300 0.002 0.000 0.970 128 R CA -2.447 53.615 56.100 -0.062 0.000 0.946 128 R CB 0.500 30.693 30.300 -0.177 0.000 1.127 128 R HN 0.409 nan 8.270 nan 0.000 0.473 129 P HA -0.065 nan 4.420 nan 0.000 0.221 129 P C -0.677 176.627 177.300 0.008 0.000 1.150 129 P CA 1.079 64.184 63.100 0.009 0.000 0.800 129 P CB 0.369 32.086 31.700 0.029 0.000 0.787 130 D N -3.628 116.782 120.400 0.017 0.000 2.779 130 D HA 0.059 4.698 4.640 -0.000 0.000 0.331 130 D C -0.248 176.068 176.300 0.028 0.000 1.331 130 D CA -0.667 53.344 54.000 0.019 0.000 0.866 130 D CB -0.443 40.369 40.800 0.020 0.000 1.409 130 D HN -0.244 nan 8.370 nan 0.000 0.486 131 D N -0.582 119.835 120.400 0.029 0.000 2.392 131 D HA -0.129 4.510 4.640 -0.000 0.000 0.228 131 D C 1.262 177.586 176.300 0.041 0.000 1.003 131 D CA 1.004 55.027 54.000 0.039 0.000 0.917 131 D CB -0.428 40.394 40.800 0.037 0.000 0.890 131 D HN 0.306 nan 8.370 nan 0.000 0.532 132 S N -0.540 115.182 115.700 0.036 0.000 2.489 132 S HA -0.046 4.424 4.470 -0.000 0.000 0.228 132 S C 0.899 175.527 174.600 0.046 0.000 0.995 132 S CA -0.493 57.729 58.200 0.036 0.000 0.934 132 S CB -0.482 62.737 63.200 0.031 0.000 0.771 132 S HN 0.230 nan 8.310 nan 0.000 0.522 133 L N 3.157 124.414 121.223 0.056 0.000 2.334 133 L HA 0.390 4.730 4.340 -0.000 0.000 0.286 133 L C 0.126 177.045 176.870 0.081 0.000 1.108 133 L CA -0.261 54.622 54.840 0.072 0.000 0.875 133 L CB 0.270 42.380 42.059 0.085 0.000 1.246 133 L HN 0.261 nan 8.230 nan 0.000 0.439 134 E N 6.376 126.620 120.200 0.073 0.000 2.493 134 E HA 0.057 4.407 4.350 -0.000 0.000 0.255 134 E C -2.137 174.520 176.600 0.096 0.000 0.999 134 E CA -1.308 55.134 56.400 0.071 0.000 0.934 134 E CB 0.550 30.276 29.700 0.043 0.000 0.940 134 E HN 0.431 nan 8.360 nan 0.000 0.473 135 P HA -0.030 nan 4.420 nan 0.000 0.272 135 P C -0.057 177.320 177.300 0.129 0.000 1.230 135 P CA -0.202 62.982 63.100 0.141 0.000 0.788 135 P CB 0.387 32.160 31.700 0.121 0.000 0.949 136 F N 1.601 121.566 119.950 0.026 0.000 2.091 136 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 136 F C 1.973 177.732 175.800 -0.069 0.000 1.103 136 F CA 1.551 59.503 58.000 -0.081 0.000 1.228 136 F CB -0.702 38.128 39.000 -0.283 0.000 0.984 136 F HN 0.199 nan 8.300 nan 0.000 0.477 137 F N 1.377 121.256 119.950 -0.118 0.000 2.171 137 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 137 F C 1.987 177.668 175.800 -0.199 0.000 1.090 137 F CA 2.148 60.031 58.000 -0.194 0.000 1.293 137 F CB -0.692 38.282 39.000 -0.043 0.000 1.013 137 F HN 0.013 nan 8.300 nan 0.000 0.486 138 D N -1.074 119.323 120.400 -0.006 0.000 2.144 138 D HA -0.156 4.483 4.640 -0.000 0.000 0.199 138 D C 2.397 178.592 176.300 -0.175 0.000 0.984 138 D CA 1.552 55.535 54.000 -0.028 0.000 0.834 138 D CB -0.218 40.613 40.800 0.051 0.000 0.955 138 D HN 0.143 nan 8.370 nan 0.000 0.465 139 S N 0.153 115.697 115.700 -0.260 0.000 2.368 139 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 139 S C 1.765 176.107 174.600 -0.429 0.000 1.029 139 S CA 0.329 58.349 58.200 -0.300 0.000 0.988 139 S CB -0.285 62.734 63.200 -0.302 0.000 0.838 139 S HN 0.178 nan 8.310 nan 0.000 0.462 140 L N 2.064 122.863 121.223 -0.707 0.000 1.989 140 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 140 L C 2.197 178.769 176.870 -0.497 0.000 1.071 140 L CA 1.739 56.150 54.840 -0.716 0.000 0.749 140 L CB -0.809 40.646 42.059 -1.006 0.000 0.890 140 L HN 0.141 nan 8.230 nan 0.000 0.431 141 V N -0.391 119.229 119.914 -0.490 0.000 2.343 141 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 141 V C 2.588 178.563 176.094 -0.199 0.000 1.051 141 V CA 2.064 64.185 62.300 -0.299 0.000 1.036 141 V CB -0.686 31.025 31.823 -0.187 0.000 0.654 141 V HN 0.459 nan 8.190 nan 0.000 0.451 142 K N -0.357 119.933 120.400 -0.183 0.000 2.148 142 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 142 K C 2.057 178.561 176.600 -0.159 0.000 1.050 142 K CA 1.295 57.501 56.287 -0.135 0.000 0.942 142 K CB -0.100 32.337 32.500 -0.104 0.000 0.724 142 K HN 0.542 nan 8.250 nan 0.000 0.446 143 Q N -0.065 119.616 119.800 -0.198 0.000 2.356 143 Q HA 0.011 4.351 4.340 -0.000 0.000 0.205 143 Q C 0.426 176.289 176.000 -0.228 0.000 0.901 143 Q CA 0.463 56.152 55.803 -0.189 0.000 0.938 143 Q CB 0.967 29.603 28.738 -0.170 0.000 1.081 143 Q HN 0.297 nan 8.270 nan 0.000 0.517 144 T N -4.152 110.240 114.554 -0.271 0.000 2.654 144 T HA 0.245 4.595 4.350 -0.000 0.000 0.289 144 T C 0.166 174.642 174.700 -0.373 0.000 1.062 144 T CA -0.809 61.105 62.100 -0.310 0.000 1.041 144 T CB 0.970 69.722 68.868 -0.194 0.000 1.417 144 T HN 0.006 nan 8.240 nan 0.000 0.510 145 H N -0.570 118.466 119.070 -0.058 0.000 2.529 145 H HA 0.356 4.912 4.556 -0.000 0.000 0.277 145 H C 0.350 175.657 175.328 -0.035 0.000 1.004 145 H CA -0.054 55.971 56.048 -0.038 0.000 1.167 145 H CB 0.004 29.753 29.762 -0.022 0.000 1.445 145 H HN 0.276 nan 8.280 nan 0.000 0.554 146 V N 4.218 124.132 119.914 0.000 0.000 2.493 146 V HA -0.013 4.107 4.120 -0.000 0.000 0.292 146 V C -1.747 174.356 176.094 0.015 0.000 1.016 146 V CA -0.874 61.423 62.300 -0.005 0.000 1.097 146 V CB 0.444 32.208 31.823 -0.098 0.000 0.947 146 V HN 0.122 nan 8.190 nan 0.000 0.479 147 P HA 0.024 nan 4.420 nan 0.000 0.268 147 P C 0.041 177.450 177.300 0.181 0.000 1.208 147 P CA -0.188 62.979 63.100 0.111 0.000 0.777 147 P CB 0.298 32.067 31.700 0.116 0.000 0.875 148 N N 2.902 121.719 118.700 0.194 0.000 3.103 148 N HA 0.157 4.897 4.740 -0.000 0.000 0.305 148 N C -0.759 174.970 175.510 0.364 0.000 1.232 148 N CA 0.183 53.429 53.050 0.328 0.000 1.190 148 N CB -1.311 37.319 38.487 0.239 0.000 1.461 148 N HN 0.325 nan 8.380 nan 0.000 0.538 149 L N -1.117 120.378 121.223 0.453 0.000 2.789 149 L HA 0.672 5.012 4.340 -0.000 0.000 0.258 149 L C -1.748 175.305 176.870 0.304 0.000 0.966 149 L CA -1.166 53.807 54.840 0.221 0.000 0.916 149 L CB 1.070 43.184 42.059 0.092 0.000 1.475 149 L HN -0.006 nan 8.230 nan 0.000 0.418 150 F N 0.088 120.028 119.950 -0.018 0.000 2.662 150 F HA 0.953 5.480 4.527 -0.000 0.000 0.312 150 F C -0.828 174.965 175.800 -0.013 0.000 1.113 150 F CA -0.275 57.715 58.000 -0.017 0.000 0.951 150 F CB 1.615 40.507 39.000 -0.181 0.000 1.344 150 F HN 0.739 nan 8.300 nan 0.000 0.462 151 S N 1.534 117.336 115.700 0.169 0.000 2.569 151 S HA 0.878 5.348 4.470 -0.000 0.000 0.280 151 S C -1.613 173.090 174.600 0.171 0.000 1.111 151 S CA -0.836 57.349 58.200 -0.024 0.000 0.887 151 S CB 1.954 65.002 63.200 -0.253 0.000 1.095 151 S HN 0.874 nan 8.310 nan 0.000 0.476 152 L N 1.563 122.844 121.223 0.096 0.000 2.410 152 L HA 0.585 4.924 4.340 -0.000 0.000 0.270 152 L C -0.585 176.413 176.870 0.214 0.000 0.983 152 L CA -0.414 54.529 54.840 0.171 0.000 0.822 152 L CB 2.206 44.355 42.059 0.150 0.000 1.285 152 L HN 0.789 nan 8.230 nan 0.000 0.409 153 Q N 4.493 124.414 119.800 0.201 0.000 2.363 153 Q HA 0.518 4.858 4.340 -0.000 0.000 0.265 153 Q C -1.725 174.235 176.000 -0.067 0.000 1.032 153 Q CA -0.526 55.365 55.803 0.147 0.000 0.746 153 Q CB 1.399 30.203 28.738 0.109 0.000 1.237 153 Q HN 0.611 nan 8.270 nan 0.000 0.475 154 L N 3.105 124.217 121.223 -0.185 0.000 2.289 154 L HA 0.539 4.879 4.340 -0.000 0.000 0.285 154 L C -0.671 176.041 176.870 -0.264 0.000 1.049 154 L CA -0.904 53.617 54.840 -0.532 0.000 0.804 154 L CB 1.494 43.067 42.059 -0.811 0.000 1.195 154 L HN 0.673 nan 8.230 nan 0.000 0.428 155 c N 2.720 121.235 118.600 -0.142 0.000 2.293 155 c HA 0.564 5.134 4.570 -0.000 0.000 0.323 155 c C 0.912 175.063 174.090 0.101 0.000 1.240 155 c CA -0.947 55.387 56.329 0.008 0.000 1.497 155 c CB 0.379 42.891 42.510 0.003 0.000 2.171 155 c HN 0.926 nan 8.230 nan 0.000 0.465 156 G N 1.681 110.514 108.800 0.055 0.000 2.395 156 G HA2 0.479 4.439 3.960 -0.000 0.000 0.283 156 G HA3 0.479 4.439 3.960 -0.000 0.000 0.283 156 G C 0.756 175.590 174.900 -0.110 0.000 1.178 156 G CA 0.217 45.328 45.100 0.019 0.000 0.837 156 G HN 0.984 nan 8.290 nan 0.000 0.518 157 A N 1.055 123.724 122.820 -0.253 0.000 1.968 157 A HA 0.404 4.724 4.320 -0.000 0.000 0.217 157 A C 2.159 179.435 177.584 -0.514 0.000 1.169 157 A CA 1.743 53.458 52.037 -0.537 0.000 0.638 157 A CB -0.502 17.876 19.000 -1.036 0.000 0.812 157 A HN 2.291 nan 8.150 nan 0.000 0.446 158 G N -2.486 106.140 108.800 -0.290 0.000 2.175 158 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.244 158 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.244 158 G C 0.114 175.122 174.900 0.179 0.000 0.982 158 G CA 0.393 45.483 45.100 -0.017 0.000 0.641 158 G HN 1.471 nan 8.290 nan 0.000 0.527 159 F N -1.458 118.533 119.950 0.067 0.000 2.686 159 F HA 0.824 5.351 4.527 -0.000 0.000 0.311 159 F C -2.657 173.144 175.800 0.002 0.000 1.128 159 F CA -2.704 55.318 58.000 0.037 0.000 0.946 159 F CB 0.516 39.535 39.000 0.032 0.000 1.336 159 F HN -0.011 nan 8.300 nan 0.000 0.457 160 P HA 0.373 nan 4.420 nan 0.000 0.275 160 P C -1.217 176.167 177.300 0.139 0.000 1.228 160 P CA -0.114 63.031 63.100 0.074 0.000 0.786 160 P CB 1.579 33.303 31.700 0.040 0.000 0.927 161 L N 2.593 123.837 121.223 0.034 0.000 2.341 161 L HA 0.391 4.731 4.340 -0.000 0.000 0.278 161 L C 1.202 178.088 176.870 0.027 0.000 1.005 161 L CA -0.829 54.040 54.840 0.048 0.000 0.818 161 L CB 1.509 43.554 42.059 -0.024 0.000 1.259 161 L HN 0.469 nan 8.230 nan 0.000 0.418 162 N N 1.412 120.135 118.700 0.038 0.000 2.379 162 N HA 0.043 4.782 4.740 -0.000 0.000 0.260 162 N C 0.492 176.006 175.510 0.008 0.000 1.254 162 N CA -0.701 52.359 53.050 0.017 0.000 0.958 162 N CB 1.037 39.535 38.487 0.019 0.000 1.208 162 N HN 0.583 nan 8.380 nan 0.000 0.532 163 Q N 0.618 120.418 119.800 -0.001 0.000 2.045 163 Q HA -0.232 4.108 4.340 -0.000 0.000 0.206 163 Q C 2.081 178.086 176.000 0.009 0.000 0.991 163 Q CA 3.032 58.833 55.803 -0.003 0.000 0.851 163 Q CB -0.396 28.338 28.738 -0.007 0.000 0.911 163 Q HN 0.806 nan 8.270 nan 0.000 0.418 164 S N -0.624 115.084 115.700 0.014 0.000 2.402 164 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 164 S C 1.737 176.351 174.600 0.023 0.000 1.021 164 S CA 1.191 59.403 58.200 0.019 0.000 0.974 164 S CB -0.393 62.818 63.200 0.018 0.000 0.800 164 S HN 0.497 nan 8.310 nan 0.000 0.484 165 E N 0.981 121.197 120.200 0.027 0.000 2.072 165 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 165 E C 2.116 178.729 176.600 0.021 0.000 0.985 165 E CA 1.329 57.750 56.400 0.036 0.000 0.801 165 E CB -0.346 29.390 29.700 0.061 0.000 0.750 165 E HN 0.460 nan 8.360 nan 0.000 0.452 166 V N 1.315 121.234 119.914 0.010 0.000 2.515 166 V HA -0.217 3.903 4.120 -0.000 0.000 0.250 166 V C 2.221 178.324 176.094 0.016 0.000 1.058 166 V CA 1.287 63.584 62.300 -0.005 0.000 1.064 166 V CB -0.451 31.365 31.823 -0.012 0.000 0.675 166 V HN 0.249 nan 8.190 nan 0.000 0.461 167 L N 0.238 121.481 121.223 0.033 0.000 2.156 167 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 167 L C 2.334 179.226 176.870 0.037 0.000 1.095 167 L CA 1.268 56.141 54.840 0.054 0.000 0.770 167 L CB -0.466 41.623 42.059 0.050 0.000 0.914 167 L HN 0.352 nan 8.230 nan 0.000 0.439 168 A N -0.851 121.984 122.820 0.024 0.000 2.345 168 A HA 0.196 4.516 4.320 -0.000 0.000 0.225 168 A C 0.894 178.483 177.584 0.008 0.000 1.243 168 A CA 0.183 52.231 52.037 0.018 0.000 0.875 168 A CB -0.202 18.810 19.000 0.020 0.000 0.929 168 A HN 0.378 nan 8.150 nan 0.000 0.502 169 S N -1.528 114.172 115.700 0.000 0.000 2.677 169 S HA 0.691 5.161 4.470 -0.000 0.000 0.304 169 S C -0.496 174.087 174.600 -0.029 0.000 1.108 169 S CA -0.717 57.478 58.200 -0.008 0.000 0.944 169 S CB 1.425 64.624 63.200 -0.002 0.000 1.127 169 S HN 0.109 nan 8.310 nan 0.000 0.511 170 V N 1.521 121.419 119.914 -0.028 0.000 2.498 170 V HA 0.501 4.621 4.120 -0.000 0.000 0.279 170 V C 1.383 177.464 176.094 -0.020 0.000 1.048 170 V CA 0.216 62.494 62.300 -0.037 0.000 0.967 170 V CB 0.921 32.724 31.823 -0.033 0.000 0.988 170 V HN 1.191 nan 8.190 nan 0.000 0.473 171 G N 2.517 111.307 108.800 -0.017 0.000 2.838 171 G HA2 0.547 4.507 3.960 -0.000 0.000 0.210 171 G HA3 0.547 4.507 3.960 -0.000 0.000 0.210 171 G C 0.546 175.518 174.900 0.120 0.000 1.153 171 G CA 0.664 45.823 45.100 0.098 0.000 0.778 171 G HN 1.285 nan 8.290 nan 0.000 0.539 172 G N -1.157 107.650 108.800 0.012 0.000 2.332 172 G HA2 0.381 4.341 3.960 -0.000 0.000 0.265 172 G HA3 0.381 4.341 3.960 -0.000 0.000 0.265 172 G C -1.342 173.544 174.900 -0.024 0.000 1.329 172 G CA -0.026 45.055 45.100 -0.032 0.000 0.949 172 G HN 0.633 nan 8.290 nan 0.000 0.476 173 S N -0.442 115.253 115.700 -0.007 0.000 2.541 173 S HA 0.715 5.185 4.470 -0.000 0.000 0.280 173 S C -0.537 174.110 174.600 0.077 0.000 1.112 173 S CA -0.415 57.806 58.200 0.034 0.000 0.925 173 S CB 1.725 64.955 63.200 0.050 0.000 1.067 173 S HN 0.931 nan 8.310 nan 0.000 0.479 174 M N 4.367 124.017 119.600 0.084 0.000 2.018 174 M HA 0.474 4.954 4.480 -0.000 0.000 0.311 174 M C -1.731 174.661 176.300 0.153 0.000 0.928 174 M CA -0.646 54.721 55.300 0.112 0.000 0.911 174 M CB 0.192 32.817 32.600 0.043 0.000 1.447 174 M HN 0.441 nan 8.290 nan 0.000 0.407 175 I N 6.401 127.101 120.570 0.216 0.000 2.322 175 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 175 I C -0.132 176.138 176.117 0.254 0.000 1.060 175 I CA -0.217 61.214 61.300 0.217 0.000 1.309 175 I CB 0.170 38.321 38.000 0.251 0.000 1.415 175 I HN 0.723 nan 8.210 nan 0.000 0.492 176 I N 5.653 126.362 120.570 0.233 0.000 2.301 176 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 176 I C 1.158 177.437 176.117 0.269 0.000 1.046 176 I CA 0.089 61.571 61.300 0.304 0.000 1.282 176 I CB 0.949 39.093 38.000 0.239 0.000 1.409 176 I HN 0.872 nan 8.210 nan 0.000 0.484 177 G N 3.897 112.904 108.800 0.343 0.000 2.176 177 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.232 177 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.232 177 G C 0.206 175.218 174.900 0.188 0.000 0.986 177 G CA -0.268 44.980 45.100 0.245 0.000 0.643 177 G HN 1.135 nan 8.290 nan 0.000 0.522 178 G N -1.200 107.716 108.800 0.193 0.000 2.428 178 G HA2 0.627 4.587 3.960 -0.000 0.000 0.305 178 G HA3 0.627 4.587 3.960 -0.000 0.000 0.305 178 G C -1.644 173.366 174.900 0.182 0.000 1.260 178 G CA -0.291 44.903 45.100 0.158 0.000 0.853 178 G HN 0.795 nan 8.290 nan 0.000 0.480 179 I N 0.809 121.503 120.570 0.207 0.000 2.545 179 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 179 I C -1.427 174.895 176.117 0.341 0.000 1.040 179 I CA -0.665 60.835 61.300 0.333 0.000 1.068 179 I CB 2.467 40.666 38.000 0.332 0.000 1.251 179 I HN 0.380 nan 8.210 nan 0.000 0.424 180 D N 4.715 125.348 120.400 0.388 0.000 2.344 180 D HA 0.244 4.884 4.640 -0.000 0.000 0.239 180 D C 0.682 177.139 176.300 0.262 0.000 1.064 180 D CA -0.307 53.821 54.000 0.214 0.000 0.829 180 D CB 1.087 41.945 40.800 0.098 0.000 1.129 180 D HN 0.634 nan 8.370 nan 0.000 0.506 181 H N 1.274 120.369 119.070 0.040 0.000 2.489 181 H HA -0.103 4.453 4.556 -0.000 0.000 0.293 181 H C 1.925 177.049 175.328 -0.339 0.000 1.066 181 H CA 0.986 56.931 56.048 -0.173 0.000 1.305 181 H CB 0.602 30.264 29.762 -0.167 0.000 1.386 181 H HN 0.344 nan 8.280 nan 0.000 0.551 182 S N 0.650 116.303 115.700 -0.079 0.000 2.561 182 S HA -0.010 4.460 4.470 -0.000 0.000 0.225 182 S C 1.695 176.194 174.600 -0.169 0.000 0.977 182 S CA 0.259 58.383 58.200 -0.126 0.000 0.926 182 S CB -0.284 62.872 63.200 -0.074 0.000 0.769 182 S HN 0.338 nan 8.310 nan 0.000 0.533 183 L N 0.242 121.320 121.223 -0.241 0.000 2.567 183 L HA 0.332 4.672 4.340 -0.000 0.000 0.225 183 L C 0.454 177.207 176.870 -0.195 0.000 1.119 183 L CA -0.222 54.421 54.840 -0.329 0.000 0.871 183 L CB -0.405 41.221 42.059 -0.722 0.000 1.036 183 L HN 0.587 nan 8.230 nan 0.000 0.459 184 Y N -2.316 117.835 120.300 -0.250 0.000 2.689 184 Y HA 0.707 5.257 4.550 -0.000 0.000 0.333 184 Y C -0.427 175.445 175.900 -0.046 0.000 1.190 184 Y CA -1.466 56.582 58.100 -0.087 0.000 1.063 184 Y CB 0.981 39.454 38.460 0.021 0.000 1.294 184 Y HN -0.109 nan 8.280 nan 0.000 0.466 185 T N -1.215 113.424 114.554 0.141 0.000 2.901 185 T HA 0.780 5.130 4.350 -0.000 0.000 0.293 185 T C 0.328 175.128 174.700 0.166 0.000 1.084 185 T CA -0.321 61.789 62.100 0.017 0.000 1.008 185 T CB 1.093 69.974 68.868 0.022 0.000 1.170 185 T HN 2.335 nan 8.240 nan 0.000 0.509 186 G N 1.562 110.411 108.800 0.082 0.000 2.645 186 G HA2 0.048 4.008 3.960 -0.000 0.000 0.239 186 G HA3 0.048 4.008 3.960 -0.000 0.000 0.239 186 G C -0.061 174.949 174.900 0.184 0.000 1.331 186 G CA -0.186 44.987 45.100 0.122 0.000 0.890 186 G HN 2.025 nan 8.290 nan 0.000 0.572 187 S N -1.040 114.744 115.700 0.140 0.000 2.690 187 S HA 0.773 5.243 4.470 -0.000 0.000 0.291 187 S C 0.038 174.606 174.600 -0.052 0.000 1.138 187 S CA -0.855 57.369 58.200 0.041 0.000 1.013 187 S CB 1.999 65.132 63.200 -0.110 0.000 1.053 187 S HN 0.891 nan 8.310 nan 0.000 0.539 188 L N 1.357 122.426 121.223 -0.257 0.000 2.290 188 L HA 0.411 4.751 4.340 -0.000 0.000 0.284 188 L C -1.088 175.409 176.870 -0.622 0.000 1.078 188 L CA -0.363 54.194 54.840 -0.471 0.000 0.815 188 L CB 0.478 42.170 42.059 -0.611 0.000 1.162 188 L HN 0.712 nan 8.230 nan 0.000 0.435 189 W N 2.758 123.635 121.300 -0.705 0.000 2.573 189 W HA 0.454 5.114 4.660 -0.000 0.000 0.326 189 W C -0.718 175.182 176.519 -1.033 0.000 1.049 189 W CA -0.216 56.569 57.345 -0.934 0.000 1.220 189 W CB 1.180 29.730 29.460 -1.515 0.000 1.373 189 W HN 0.207 nan 8.180 nan 0.000 0.507 190 Y N 1.469 121.568 120.300 -0.335 0.000 2.387 190 Y HA 0.542 5.092 4.550 -0.000 0.000 0.336 190 Y C 0.547 176.614 175.900 0.280 0.000 1.067 190 Y CA -0.825 57.250 58.100 -0.043 0.000 1.114 190 Y CB 2.113 40.531 38.460 -0.070 0.000 1.208 190 Y HN 0.143 nan 8.280 nan 0.000 0.458 191 T N 4.514 119.399 114.554 0.552 0.000 2.863 191 T HA 0.516 4.866 4.350 -0.000 0.000 0.285 191 T C -2.872 172.015 174.700 0.311 0.000 1.009 191 T CA -2.623 59.773 62.100 0.495 0.000 0.989 191 T CB 1.084 70.210 68.868 0.429 0.000 1.004 191 T HN 0.244 nan 8.240 nan 0.000 0.455 192 P HA 0.303 nan 4.420 nan 0.000 0.271 192 P C -0.544 176.868 177.300 0.187 0.000 1.218 192 P CA -0.251 62.957 63.100 0.180 0.000 0.780 192 P CB 0.341 32.126 31.700 0.142 0.000 0.901 193 I N 3.314 123.995 120.570 0.184 0.000 2.379 193 I HA 0.153 4.323 4.170 -0.000 0.000 0.290 193 I C 1.996 178.217 176.117 0.173 0.000 1.063 193 I CA -0.065 61.369 61.300 0.224 0.000 1.351 193 I CB 0.587 38.749 38.000 0.270 0.000 1.410 193 I HN 0.434 nan 8.210 nan 0.000 0.505 194 R N 5.348 125.964 120.500 0.192 0.000 2.081 194 R HA 0.024 4.364 4.340 -0.000 0.000 0.235 194 R C 0.743 177.109 176.300 0.110 0.000 1.131 194 R CA 1.360 57.552 56.100 0.153 0.000 0.960 194 R CB 0.314 30.726 30.300 0.186 0.000 0.856 194 R HN 0.561 nan 8.270 nan 0.000 0.436 195 R N 0.002 120.597 120.500 0.157 0.000 2.643 195 R HA 0.110 4.450 4.340 -0.000 0.000 0.269 195 R C -1.599 174.771 176.300 0.118 0.000 1.037 195 R CA -0.465 55.668 56.100 0.056 0.000 0.894 195 R CB 1.781 32.038 30.300 -0.071 0.000 1.238 195 R HN 0.096 nan 8.270 nan 0.000 0.459 196 E N 4.167 124.276 120.200 -0.151 0.000 1.924 196 E HA 0.101 4.451 4.350 -0.000 0.000 0.261 196 E C -0.019 176.492 176.600 -0.149 0.000 1.088 196 E CA -0.035 56.019 56.400 -0.577 0.000 0.909 196 E CB 0.332 29.311 29.700 -1.200 0.000 1.112 196 E HN 0.454 nan 8.360 nan 0.000 0.425 197 W N 1.971 123.223 121.300 -0.080 0.000 4.565 197 W HA 0.190 4.850 4.660 -0.000 0.000 0.169 197 W C -0.453 176.046 176.519 -0.033 0.000 3.393 197 W CA -0.219 57.110 57.345 -0.027 0.000 1.387 197 W CB -0.382 29.053 29.460 -0.042 0.000 1.999 197 W HN 0.070 nan 8.180 nan 0.000 0.487 198 Y N 0.573 120.635 120.300 -0.397 0.000 2.344 198 Y HA 0.337 4.887 4.550 -0.000 0.000 0.330 198 Y C -0.146 175.681 175.900 -0.122 0.000 1.330 198 Y CA -0.397 57.479 58.100 -0.374 0.000 1.479 198 Y CB 0.194 38.282 38.460 -0.620 0.000 1.428 198 Y HN -0.151 nan 8.280 nan 0.000 0.544 199 Y N 1.044 121.541 120.300 0.328 0.000 2.632 199 Y HA 0.108 4.658 4.550 -0.000 0.000 0.336 199 Y C 0.345 176.413 175.900 0.280 0.000 1.237 199 Y CA -0.312 58.008 58.100 0.366 0.000 1.595 199 Y CB -0.215 38.488 38.460 0.404 0.000 1.508 199 Y HN 0.412 nan 8.280 nan 0.000 0.480 200 E N 2.758 123.182 120.200 0.373 0.000 2.313 200 E HA 0.453 4.803 4.350 -0.000 0.000 0.276 200 E C -0.785 175.986 176.600 0.286 0.000 1.031 200 E CA -0.558 56.031 56.400 0.315 0.000 0.857 200 E CB 0.854 30.823 29.700 0.448 0.000 1.040 200 E HN 0.404 nan 8.360 nan 0.000 0.408 201 V N 1.579 121.627 119.914 0.223 0.000 3.158 201 V HA 0.629 4.748 4.120 -0.000 0.000 0.311 201 V C -0.515 175.663 176.094 0.140 0.000 1.181 201 V CA -1.016 61.392 62.300 0.181 0.000 1.054 201 V CB 1.691 33.613 31.823 0.165 0.000 1.085 201 V HN 0.627 nan 8.190 nan 0.000 0.446 202 I N 1.831 122.463 120.570 0.105 0.000 2.410 202 I HA 0.480 4.650 4.170 -0.000 0.000 0.286 202 I C -0.752 175.384 176.117 0.032 0.000 1.009 202 I CA -0.411 60.943 61.300 0.090 0.000 1.111 202 I CB 1.787 39.848 38.000 0.100 0.000 1.262 202 I HN 0.508 nan 8.210 nan 0.000 0.443 203 I N 6.706 127.300 120.570 0.039 0.000 2.342 203 I HA 0.108 4.278 4.170 -0.000 0.000 0.291 203 I C 1.138 177.296 176.117 0.068 0.000 1.010 203 I CA -0.217 61.072 61.300 -0.018 0.000 1.308 203 I CB 1.610 39.584 38.000 -0.044 0.000 1.400 203 I HN 0.492 nan 8.210 nan 0.000 0.488 204 V N 2.869 122.792 119.914 0.015 0.000 3.605 204 V HA 0.417 4.537 4.120 -0.000 0.000 0.284 204 V C 0.469 176.583 176.094 0.033 0.000 1.386 204 V CA 0.038 62.374 62.300 0.060 0.000 1.053 204 V CB -0.140 31.691 31.823 0.013 0.000 0.857 204 V HN 0.880 nan 8.190 nan 0.000 0.436 205 R N -0.476 119.962 120.500 -0.104 0.000 2.664 205 R HA 0.663 5.003 4.340 -0.000 0.000 0.260 205 R C -2.525 173.566 176.300 -0.348 0.000 1.062 205 R CA -0.351 55.606 56.100 -0.238 0.000 0.902 205 R CB 2.515 32.471 30.300 -0.573 0.000 1.258 205 R HN 0.040 nan 8.270 nan 0.000 0.465 206 V N 2.578 122.245 119.914 -0.411 0.000 2.760 206 V HA 0.490 4.610 4.120 -0.000 0.000 0.309 206 V C -0.877 175.134 176.094 -0.139 0.000 1.077 206 V CA -0.727 61.373 62.300 -0.333 0.000 0.910 206 V CB 2.094 33.563 31.823 -0.590 0.000 1.008 206 V HN 0.794 nan 8.190 nan 0.000 0.424 207 E N 4.163 124.333 120.200 -0.050 0.000 2.288 207 E HA 0.609 4.959 4.350 -0.000 0.000 0.268 207 E C -1.497 175.100 176.600 -0.005 0.000 0.885 207 E CA -0.854 55.538 56.400 -0.013 0.000 0.767 207 E CB 2.730 32.453 29.700 0.039 0.000 1.220 207 E HN 0.366 nan 8.360 nan 0.000 0.427 208 I N 2.596 123.171 120.570 0.009 0.000 2.390 208 I HA 0.191 4.361 4.170 -0.000 0.000 0.283 208 I C 0.134 176.282 176.117 0.052 0.000 1.016 208 I CA -0.334 60.988 61.300 0.036 0.000 1.151 208 I CB 0.366 38.382 38.000 0.026 0.000 1.293 208 I HN 0.768 nan 8.210 nan 0.000 0.458 209 N N 4.780 123.526 118.700 0.076 0.000 2.725 209 N HA -0.232 4.508 4.740 -0.000 0.000 0.251 209 N C 1.175 176.712 175.510 0.046 0.000 1.031 209 N CA 0.586 53.680 53.050 0.074 0.000 0.720 209 N CB -0.370 38.166 38.487 0.081 0.000 0.930 209 N HN 1.140 nan 8.380 nan 0.000 0.543 210 G N -0.209 108.613 108.800 0.037 0.000 2.245 210 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.264 210 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.264 210 G C -0.098 174.806 174.900 0.007 0.000 0.985 210 G CA 0.778 45.893 45.100 0.025 0.000 0.625 210 G HN 0.613 nan 8.290 nan 0.000 0.536 211 Q N 0.998 120.802 119.800 0.006 0.000 2.322 211 Q HA 0.447 4.787 4.340 -0.000 0.000 0.256 211 Q C -0.462 175.527 176.000 -0.019 0.000 0.960 211 Q CA -0.671 55.127 55.803 -0.008 0.000 0.934 211 Q CB 0.620 29.356 28.738 -0.003 0.000 1.200 211 Q HN 0.234 nan 8.270 nan 0.000 0.435 212 D N 3.618 123.996 120.400 -0.037 0.000 2.450 212 D HA -0.085 4.555 4.640 -0.000 0.000 0.247 212 D C 0.633 176.923 176.300 -0.016 0.000 1.162 212 D CA 0.030 54.001 54.000 -0.048 0.000 0.879 212 D CB 0.902 41.660 40.800 -0.071 0.000 1.163 212 D HN 0.600 nan 8.370 nan 0.000 0.472 213 L N 4.053 125.281 121.223 0.009 0.000 2.275 213 L HA 0.002 4.342 4.340 -0.000 0.000 0.215 213 L C 1.506 178.412 176.870 0.059 0.000 1.119 213 L CA 1.074 55.942 54.840 0.047 0.000 0.790 213 L CB -0.838 41.283 42.059 0.103 0.000 0.919 213 L HN 0.770 nan 8.230 nan 0.000 0.443 214 K N -0.302 120.135 120.400 0.060 0.000 3.077 214 K HA -0.237 4.083 4.320 -0.000 0.000 0.264 214 K C -0.191 176.409 176.600 -0.001 0.000 1.008 214 K CA 0.439 56.739 56.287 0.022 0.000 0.740 214 K CB -0.928 31.565 32.500 -0.012 0.000 1.273 214 K HN 0.320 nan 8.250 nan 0.000 0.477 215 M N 0.321 119.924 119.600 0.005 0.000 2.573 215 M HA 0.147 4.627 4.480 -0.000 0.000 0.309 215 M C 0.254 176.389 176.300 -0.276 0.000 1.202 215 M CA -0.850 54.352 55.300 -0.162 0.000 0.975 215 M CB 0.757 33.202 32.600 -0.259 0.000 1.600 215 M HN 0.090 nan 8.290 nan 0.000 0.479 216 D N 0.892 121.133 120.400 -0.265 0.000 2.450 216 D HA -0.005 4.635 4.640 -0.000 0.000 0.247 216 D C 1.059 177.120 176.300 -0.397 0.000 1.162 216 D CA -0.342 53.520 54.000 -0.230 0.000 0.879 216 D CB 0.911 41.610 40.800 -0.169 0.000 1.163 216 D HN 0.762 nan 8.370 nan 0.000 0.472 217 c N 3.614 122.045 118.600 -0.280 0.000 2.409 217 c HA -0.044 4.526 4.570 -0.000 0.000 0.284 217 c C 2.166 176.154 174.090 -0.170 0.000 1.354 217 c CA 0.100 56.273 56.329 -0.261 0.000 1.787 217 c CB -0.813 41.725 42.510 0.046 0.000 1.900 217 c HN 0.664 nan 8.230 nan 0.000 0.520 218 K N 0.805 121.141 120.400 -0.106 0.000 2.209 218 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 218 K C 2.205 178.785 176.600 -0.032 0.000 1.048 218 K CA 1.396 57.690 56.287 0.011 0.000 0.940 218 K CB -0.101 32.432 32.500 0.055 0.000 0.729 218 K HN 0.586 nan 8.250 nan 0.000 0.451 219 E N -0.205 119.866 120.200 -0.214 0.000 2.150 219 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 219 E C 1.696 178.271 176.600 -0.043 0.000 0.985 219 E CA 1.179 57.465 56.400 -0.189 0.000 0.814 219 E CB -0.151 29.369 29.700 -0.302 0.000 0.752 219 E HN 0.554 nan 8.360 nan 0.000 0.466 220 Y N 0.786 121.111 120.300 0.041 0.000 2.421 220 Y HA -0.026 4.524 4.550 -0.000 0.000 0.292 220 Y C 1.410 177.339 175.900 0.049 0.000 1.136 220 Y CA 0.313 58.434 58.100 0.035 0.000 1.255 220 Y CB 0.192 38.658 38.460 0.010 0.000 0.991 220 Y HN 0.014 nan 8.280 nan 0.000 0.552 221 N N -0.998 117.824 118.700 0.203 0.000 2.291 221 N HA -0.038 4.701 4.740 -0.000 0.000 0.244 221 N C -0.798 174.795 175.510 0.138 0.000 1.216 221 N CA -0.199 52.951 53.050 0.165 0.000 0.879 221 N CB 0.100 38.700 38.487 0.188 0.000 1.167 221 N HN 0.167 nan 8.380 nan 0.000 0.515 222 Y N 3.608 123.859 120.300 -0.083 0.000 2.754 222 Y HA -0.046 4.504 4.550 -0.000 0.000 0.349 222 Y C 1.184 176.885 175.900 -0.331 0.000 1.179 222 Y CA 0.423 58.327 58.100 -0.328 0.000 1.538 222 Y CB -0.380 37.902 38.460 -0.297 0.000 1.200 222 Y HN 0.302 nan 8.280 nan 0.000 0.522 223 D N 2.620 122.618 120.400 -0.670 0.000 3.402 223 D HA -0.213 4.426 4.640 -0.000 0.000 0.226 223 D C -0.839 175.519 176.300 0.097 0.000 0.952 223 D CA 1.482 55.265 54.000 -0.362 0.000 2.153 223 D CB -1.109 39.348 40.800 -0.571 0.000 1.235 223 D HN 0.704 nan 8.370 nan 0.000 0.550 224 K N -0.261 120.148 120.400 0.015 0.000 2.772 224 K HA 0.603 4.923 4.320 -0.000 0.000 0.292 224 K C -1.857 174.758 176.600 0.025 0.000 1.049 224 K CA -0.751 55.597 56.287 0.103 0.000 0.846 224 K CB 1.310 33.877 32.500 0.111 0.000 1.514 224 K HN 0.029 nan 8.250 nan 0.000 0.373 225 S N 1.015 116.754 115.700 0.064 0.000 2.561 225 S HA 0.647 5.117 4.470 -0.000 0.000 0.303 225 S C -0.578 174.052 174.600 0.049 0.000 1.110 225 S CA -0.845 57.380 58.200 0.043 0.000 1.034 225 S CB 0.528 63.772 63.200 0.074 0.000 1.010 225 S HN 0.564 nan 8.310 nan 0.000 0.482 226 I N -0.388 120.190 120.570 0.014 0.000 3.002 226 I HA 0.807 4.977 4.170 -0.000 0.000 0.310 226 I C -1.255 174.947 176.117 0.142 0.000 1.087 226 I CA -1.247 60.097 61.300 0.073 0.000 1.017 226 I CB 1.841 39.809 38.000 -0.053 0.000 1.226 226 I HN 0.247 nan 8.210 nan 0.000 0.443 227 V N 2.688 122.754 119.914 0.254 0.000 2.370 227 V HA 0.394 4.514 4.120 -0.000 0.000 0.279 227 V C -0.960 175.312 176.094 0.297 0.000 1.029 227 V CA 0.053 62.521 62.300 0.279 0.000 0.870 227 V CB 0.952 32.962 31.823 0.312 0.000 0.984 227 V HN 0.755 nan 8.190 nan 0.000 0.451 228 D N 2.799 123.325 120.400 0.210 0.000 2.473 228 D HA 0.242 4.882 4.640 -0.000 0.000 0.253 228 D C 1.036 177.414 176.300 0.130 0.000 1.233 228 D CA -0.134 53.968 54.000 0.170 0.000 0.908 228 D CB 1.953 42.829 40.800 0.128 0.000 1.170 228 D HN 0.465 nan 8.370 nan 0.000 0.558 229 S N 1.462 117.224 115.700 0.103 0.000 2.507 229 S HA 0.019 4.489 4.470 -0.000 0.000 0.235 229 S C 1.658 176.295 174.600 0.063 0.000 0.988 229 S CA 0.527 58.768 58.200 0.068 0.000 0.944 229 S CB 0.102 63.304 63.200 0.002 0.000 0.762 229 S HN 0.415 nan 8.310 nan 0.000 0.526 230 G N 0.128 108.955 108.800 0.044 0.000 3.284 230 G HA2 0.352 4.312 3.960 -0.000 0.000 0.236 230 G HA3 0.352 4.312 3.960 -0.000 0.000 0.236 230 G C -0.059 174.856 174.900 0.025 0.000 1.158 230 G CA -0.211 44.891 45.100 0.003 0.000 0.774 230 G HN 0.446 nan 8.290 nan 0.000 0.545 231 T N -0.216 114.372 114.554 0.057 0.000 2.824 231 T HA 0.371 4.721 4.350 -0.000 0.000 0.282 231 T C 1.179 175.919 174.700 0.066 0.000 0.993 231 T CA -0.329 61.802 62.100 0.053 0.000 0.967 231 T CB 2.075 70.973 68.868 0.049 0.000 0.960 231 T HN -0.056 nan 8.240 nan 0.000 0.441 232 T N 3.131 117.718 114.554 0.054 0.000 2.732 232 T HA 0.007 4.357 4.350 -0.000 0.000 0.261 232 T C 1.111 175.842 174.700 0.052 0.000 1.040 232 T CA 0.953 63.090 62.100 0.062 0.000 1.145 232 T CB -0.077 68.817 68.868 0.043 0.000 0.866 232 T HN 0.402 nan 8.240 nan 0.000 0.427 233 N N 0.998 119.712 118.700 0.023 0.000 2.408 233 N HA 0.277 5.017 4.740 -0.000 0.000 0.260 233 N C -0.702 174.813 175.510 0.008 0.000 1.242 233 N CA -0.423 52.626 53.050 -0.002 0.000 0.959 233 N CB 0.296 38.759 38.487 -0.040 0.000 1.201 233 N HN 0.171 nan 8.380 nan 0.000 0.511 234 L N 1.622 122.839 121.223 -0.011 0.000 2.261 234 L HA 0.307 4.647 4.340 -0.000 0.000 0.289 234 L C -0.302 176.561 176.870 -0.011 0.000 1.059 234 L CA -0.456 54.387 54.840 0.004 0.000 0.816 234 L CB 0.056 42.112 42.059 -0.004 0.000 1.191 234 L HN 0.316 nan 8.230 nan 0.000 0.431 235 R N 6.324 126.821 120.500 -0.004 0.000 2.407 235 R HA 0.636 4.976 4.340 -0.000 0.000 0.303 235 R C -1.199 175.109 176.300 0.014 0.000 0.981 235 R CA -0.787 55.302 56.100 -0.020 0.000 0.905 235 R CB 1.817 32.091 30.300 -0.043 0.000 1.099 235 R HN 0.587 nan 8.270 nan 0.000 0.459 236 L N 3.236 124.489 121.223 0.051 0.000 2.370 236 L HA 0.488 4.828 4.340 -0.000 0.000 0.266 236 L C -2.363 174.572 176.870 0.109 0.000 1.002 236 L CA -2.740 52.166 54.840 0.111 0.000 0.818 236 L CB 2.311 44.494 42.059 0.207 0.000 1.325 236 L HN 0.235 nan 8.230 nan 0.000 0.418 237 P HA -0.028 nan 4.420 nan 0.000 0.266 237 P C 0.304 177.702 177.300 0.162 0.000 1.193 237 P CA -0.048 63.120 63.100 0.113 0.000 0.770 237 P CB 0.675 32.469 31.700 0.157 0.000 0.836 238 K N 3.396 123.878 120.400 0.138 0.000 2.049 238 K HA -0.302 4.018 4.320 -0.000 0.000 0.219 238 K C 1.553 178.269 176.600 0.193 0.000 1.056 238 K CA 2.151 58.538 56.287 0.166 0.000 0.946 238 K CB -0.212 32.359 32.500 0.118 0.000 0.723 238 K HN 0.260 nan 8.250 nan 0.000 0.453 239 K N -0.091 120.384 120.400 0.126 0.000 2.063 239 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 239 K C 2.053 178.709 176.600 0.094 0.000 1.048 239 K CA 1.644 57.977 56.287 0.078 0.000 0.928 239 K CB -0.027 32.479 32.500 0.010 0.000 0.713 239 K HN 0.059 nan 8.250 nan 0.000 0.442 240 V N 0.876 120.873 119.914 0.138 0.000 2.358 240 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 240 V C 1.936 178.124 176.094 0.158 0.000 1.047 240 V CA 1.573 63.975 62.300 0.170 0.000 1.035 240 V CB -0.534 31.436 31.823 0.245 0.000 0.658 240 V HN 0.234 nan 8.190 nan 0.000 0.452 241 F N 1.518 121.509 119.950 0.068 0.000 2.095 241 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 241 F C 2.494 178.333 175.800 0.064 0.000 1.104 241 F CA 2.019 60.060 58.000 0.068 0.000 1.232 241 F CB -0.266 38.774 39.000 0.068 0.000 0.987 241 F HN 0.115 nan 8.300 nan 0.000 0.475 242 E N 0.593 120.779 120.200 -0.023 0.000 2.077 242 E HA -0.180 4.169 4.350 -0.000 0.000 0.193 242 E C 2.417 178.916 176.600 -0.168 0.000 0.989 242 E CA 1.228 57.545 56.400 -0.139 0.000 0.800 242 E CB -0.915 28.799 29.700 0.024 0.000 0.746 242 E HN 0.511 nan 8.360 nan 0.000 0.452 243 A N 1.292 124.064 122.820 -0.080 0.000 1.930 243 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 243 A C 2.391 179.917 177.584 -0.097 0.000 1.175 243 A CA 1.830 53.828 52.037 -0.066 0.000 0.627 243 A CB -0.440 18.557 19.000 -0.005 0.000 0.815 243 A HN 0.258 nan 8.150 nan 0.000 0.443 244 A N -0.557 122.198 122.820 -0.109 0.000 1.873 244 A HA 0.029 4.349 4.320 -0.000 0.000 0.215 244 A C 2.196 179.674 177.584 -0.177 0.000 1.186 244 A CA 1.672 53.644 52.037 -0.108 0.000 0.616 244 A CB -0.901 18.057 19.000 -0.069 0.000 0.823 244 A HN 0.364 nan 8.150 nan 0.000 0.442 245 V N 0.424 120.135 119.914 -0.338 0.000 2.407 245 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 245 V C 2.539 178.368 176.094 -0.441 0.000 1.055 245 V CA 2.365 64.410 62.300 -0.424 0.000 1.049 245 V CB -0.645 30.803 31.823 -0.626 0.000 0.662 245 V HN 0.710 nan 8.190 nan 0.000 0.455 246 K N -0.102 120.105 120.400 -0.321 0.000 2.057 246 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 246 K C 2.456 178.934 176.600 -0.204 0.000 1.049 246 K CA 1.803 57.934 56.287 -0.260 0.000 0.931 246 K CB -0.271 32.126 32.500 -0.171 0.000 0.714 246 K HN 0.403 nan 8.250 nan 0.000 0.440 247 S N 0.371 115.982 115.700 -0.148 0.000 2.387 247 S HA -0.032 4.438 4.470 -0.000 0.000 0.226 247 S C 1.892 176.455 174.600 -0.061 0.000 1.026 247 S CA 0.832 58.981 58.200 -0.085 0.000 0.972 247 S CB -0.205 62.966 63.200 -0.049 0.000 0.814 247 S HN 0.356 nan 8.310 nan 0.000 0.477 248 I N 1.030 121.556 120.570 -0.073 0.000 2.315 248 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 248 I C 2.543 178.661 176.117 0.003 0.000 1.117 248 I CA 1.126 62.456 61.300 0.051 0.000 1.404 248 I CB -0.245 37.850 38.000 0.158 0.000 1.071 248 I HN 0.258 nan 8.210 nan 0.000 0.419 249 K N 0.910 121.119 120.400 -0.319 0.000 2.057 249 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 249 K C 2.281 178.829 176.600 -0.088 0.000 1.049 249 K CA 1.481 57.572 56.287 -0.328 0.000 0.931 249 K CB -0.229 31.915 32.500 -0.593 0.000 0.714 249 K HN 0.297 nan 8.250 nan 0.000 0.440 250 A N 1.322 124.083 122.820 -0.098 0.000 1.933 250 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 250 A C 2.311 179.886 177.584 -0.015 0.000 1.175 250 A CA 1.779 53.783 52.037 -0.054 0.000 0.628 250 A CB -0.587 18.378 19.000 -0.058 0.000 0.814 250 A HN 0.335 nan 8.150 nan 0.000 0.444 251 A N -0.013 122.816 122.820 0.016 0.000 2.015 251 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 251 A C 2.097 179.696 177.584 0.025 0.000 1.163 251 A CA 1.864 53.925 52.037 0.039 0.000 0.646 251 A CB -0.533 18.521 19.000 0.090 0.000 0.806 251 A HN 1.020 nan 8.150 nan 0.000 0.448 252 S N -0.437 115.288 115.700 0.041 0.000 2.575 252 S HA 0.100 4.570 4.470 -0.000 0.000 0.237 252 S C 1.258 175.847 174.600 -0.018 0.000 0.975 252 S CA 0.558 58.736 58.200 -0.037 0.000 0.960 252 S CB -0.394 62.775 63.200 -0.052 0.000 0.822 252 S HN 0.716 nan 8.310 nan 0.000 0.472 253 S N 1.716 117.406 115.700 -0.017 0.000 2.537 253 S HA -0.145 4.325 4.470 -0.000 0.000 0.240 253 S C 1.768 176.319 174.600 -0.082 0.000 0.981 253 S CA 1.189 59.364 58.200 -0.042 0.000 0.948 253 S CB -1.438 61.738 63.200 -0.039 0.000 0.759 253 S HN 0.753 nan 8.310 nan 0.000 0.531 254 T N -1.238 113.263 114.554 -0.088 0.000 3.098 254 T HA 0.157 4.507 4.350 -0.000 0.000 0.266 254 T C 0.347 174.972 174.700 -0.126 0.000 1.145 254 T CA 0.375 62.421 62.100 -0.090 0.000 1.092 254 T CB -0.299 68.525 68.868 -0.075 0.000 0.908 254 T HN 0.573 nan 8.240 nan 0.000 0.526 255 E N 0.411 120.491 120.200 -0.200 0.000 2.292 255 E HA 0.439 4.789 4.350 -0.000 0.000 0.272 255 E C -0.994 175.218 176.600 -0.647 0.000 0.881 255 E CA -1.024 55.160 56.400 -0.360 0.000 0.754 255 E CB 1.478 31.008 29.700 -0.284 0.000 1.201 255 E HN 0.000 nan 8.360 nan 0.000 0.425 256 K N 2.372 122.390 120.400 -0.637 0.000 2.164 256 K HA 0.541 4.861 4.320 -0.000 0.000 0.258 256 K C -0.837 175.320 176.600 -0.738 0.000 0.951 256 K CA -0.434 55.538 56.287 -0.525 0.000 0.844 256 K CB 0.999 33.379 32.500 -0.201 0.000 1.099 256 K HN 0.363 nan 8.250 nan 0.000 0.435 257 F N 2.077 122.095 119.950 0.114 0.000 2.563 257 F HA 0.371 4.898 4.527 -0.000 0.000 0.316 257 F C -1.674 174.197 175.800 0.118 0.000 1.076 257 F CA -2.151 55.825 58.000 -0.040 0.000 0.921 257 F CB 1.390 40.160 39.000 -0.383 0.000 1.209 257 F HN 0.338 nan 8.300 nan 0.000 0.462 258 P HA 0.014 nan 4.420 nan 0.000 0.267 258 P C -0.043 177.450 177.300 0.323 0.000 1.200 258 P CA -0.002 63.228 63.100 0.217 0.000 0.772 258 P CB 1.024 32.806 31.700 0.136 0.000 0.855 259 D N 2.244 122.821 120.400 0.295 0.000 2.190 259 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 259 D C 2.135 178.612 176.300 0.294 0.000 0.992 259 D CA 1.929 56.130 54.000 0.335 0.000 0.854 259 D CB -0.702 40.229 40.800 0.219 0.000 0.936 259 D HN 0.648 nan 8.370 nan 0.000 0.462 260 G N -0.014 108.914 108.800 0.212 0.000 2.448 260 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 260 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 260 G C 1.426 176.420 174.900 0.157 0.000 1.127 260 G CA 0.312 45.511 45.100 0.165 0.000 0.766 260 G HN 0.266 nan 8.290 nan 0.000 0.552 261 F N 0.426 120.367 119.950 -0.014 0.000 2.084 261 F HA 0.020 4.547 4.527 -0.000 0.000 0.296 261 F C 2.195 177.889 175.800 -0.177 0.000 1.111 261 F CA 1.031 58.919 58.000 -0.188 0.000 1.224 261 F CB -0.400 38.333 39.000 -0.444 0.000 0.991 261 F HN 0.214 nan 8.300 nan 0.000 0.471 262 W N 0.593 121.831 121.300 -0.103 0.000 2.525 262 W HA -0.009 4.651 4.660 -0.000 0.000 0.259 262 W C 1.674 178.266 176.519 0.120 0.000 1.253 262 W CA 0.349 57.544 57.345 -0.249 0.000 1.262 262 W CB -0.447 28.954 29.460 -0.097 0.000 1.122 262 W HN 0.014 nan 8.180 nan 0.000 0.607 263 L N 0.353 121.747 121.223 0.285 0.000 2.591 263 L HA 0.271 4.611 4.340 -0.000 0.000 0.228 263 L C 1.920 178.894 176.870 0.174 0.000 1.133 263 L CA 0.588 55.586 54.840 0.264 0.000 0.880 263 L CB -0.863 41.310 42.059 0.189 0.000 1.033 263 L HN 0.233 nan 8.230 nan 0.000 0.450 264 G N 0.387 109.267 108.800 0.133 0.000 2.166 264 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 264 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 264 G C 0.756 175.683 174.900 0.045 0.000 0.986 264 G CA 0.829 45.971 45.100 0.070 0.000 0.683 264 G HN 0.498 nan 8.290 nan 0.000 0.527 265 E N -0.331 119.904 120.200 0.057 0.000 2.099 265 E HA 0.073 4.423 4.350 -0.000 0.000 0.191 265 E C 1.528 178.165 176.600 0.062 0.000 0.962 265 E CA 0.986 57.421 56.400 0.059 0.000 0.826 265 E CB 0.019 29.760 29.700 0.068 0.000 0.788 265 E HN 0.838 nan 8.360 nan 0.000 0.461 266 Q N 1.486 121.335 119.800 0.082 0.000 2.257 266 Q HA 0.451 4.791 4.340 -0.000 0.000 0.262 266 Q C -0.184 175.897 176.000 0.134 0.000 0.997 266 Q CA -0.773 55.083 55.803 0.088 0.000 0.873 266 Q CB 1.486 30.273 28.738 0.082 0.000 1.312 266 Q HN 0.119 nan 8.270 nan 0.000 0.450 267 L N -0.611 120.666 121.223 0.089 0.000 2.439 267 L HA 0.778 5.118 4.340 -0.000 0.000 0.259 267 L C -0.655 176.211 176.870 -0.006 0.000 1.129 267 L CA -1.187 53.710 54.840 0.094 0.000 0.803 267 L CB 1.086 43.166 42.059 0.034 0.000 1.161 267 L HN 0.440 nan 8.230 nan 0.000 0.462 268 V N 0.435 120.280 119.914 -0.116 0.000 2.680 268 V HA 0.492 4.611 4.120 -0.000 0.000 0.309 268 V C -0.251 175.563 176.094 -0.466 0.000 1.052 268 V CA -0.297 61.712 62.300 -0.485 0.000 0.908 268 V CB 1.765 32.943 31.823 -1.075 0.000 1.001 268 V HN 1.010 nan 8.190 nan 0.000 0.431 269 C N 3.571 122.534 119.300 -0.562 0.000 2.707 269 C HA 0.728 5.188 4.460 -0.000 0.000 0.313 269 C C -0.866 173.843 174.990 -0.467 0.000 1.209 269 C CA -0.969 57.845 59.018 -0.340 0.000 1.635 269 C CB 1.745 29.385 27.740 -0.165 0.000 2.206 269 C HN 0.869 nan 8.230 nan 0.000 0.485 270 W N 0.706 122.024 121.300 0.030 0.000 2.950 270 W HA 0.388 5.048 4.660 -0.000 0.000 0.340 270 W C -0.557 175.971 176.519 0.016 0.000 1.139 270 W CA -0.492 56.865 57.345 0.020 0.000 1.188 270 W CB 1.122 30.586 29.460 0.008 0.000 1.426 270 W HN 0.662 nan 8.180 nan 0.000 0.531 271 Q N 1.198 121.144 119.800 0.244 0.000 2.395 271 Q HA 0.272 4.612 4.340 -0.000 0.000 0.271 271 Q C 0.448 176.531 176.000 0.139 0.000 1.026 271 Q CA 0.057 55.943 55.803 0.140 0.000 0.900 271 Q CB 0.662 29.462 28.738 0.103 0.000 1.266 271 Q HN 0.427 nan 8.270 nan 0.000 0.430 272 A N 1.743 124.620 122.820 0.095 0.000 2.600 272 A HA 0.167 4.487 4.320 -0.000 0.000 0.253 272 A C 1.368 179.002 177.584 0.083 0.000 0.997 272 A CA 0.962 53.048 52.037 0.081 0.000 0.820 272 A CB -0.928 18.100 19.000 0.046 0.000 0.888 272 A HN 1.092 nan 8.150 nan 0.000 0.508 273 G N 1.799 110.660 108.800 0.102 0.000 2.212 273 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.266 273 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.266 273 G C 0.951 175.894 174.900 0.071 0.000 0.978 273 G CA 1.400 46.558 45.100 0.097 0.000 0.632 273 G HN 2.268 nan 8.290 nan 0.000 0.537 274 T N -1.248 113.337 114.554 0.051 0.000 3.163 274 T HA 0.408 4.758 4.350 -0.000 0.000 0.252 274 T C 0.894 175.439 174.700 -0.258 0.000 1.056 274 T CA 0.901 62.984 62.100 -0.028 0.000 0.947 274 T CB 0.122 69.011 68.868 0.035 0.000 1.016 274 T HN 0.373 nan 8.240 nan 0.000 0.554 275 T N 6.019 120.346 114.554 -0.379 0.000 2.822 275 T HA 0.148 4.498 4.350 -0.000 0.000 0.288 275 T C -2.119 171.910 174.700 -1.118 0.000 0.991 275 T CA -0.536 60.908 62.100 -1.093 0.000 1.176 275 T CB 0.643 68.733 68.868 -1.297 0.000 0.951 275 T HN 0.279 nan 8.240 nan 0.000 0.526 276 P HA 0.129 nan 4.420 nan 0.000 0.225 276 P C 0.245 177.365 177.300 -0.299 0.000 1.813 276 P CA -0.433 62.340 63.100 -0.545 0.000 1.013 276 P CB -0.240 31.203 31.700 -0.429 0.000 1.961 277 W N 2.439 123.673 121.300 -0.110 0.000 2.305 277 W HA -0.299 4.361 4.660 -0.000 0.000 0.308 277 W C 2.201 178.783 176.519 0.105 0.000 1.226 277 W CA 1.658 59.006 57.345 0.006 0.000 1.253 277 W CB -1.516 27.926 29.460 -0.030 0.000 1.146 277 W HN 0.303 nan 8.180 nan 0.000 0.507 278 N N 1.669 120.531 118.700 0.270 0.000 2.348 278 N HA -0.224 4.516 4.740 -0.000 0.000 0.185 278 N C 1.433 176.999 175.510 0.093 0.000 1.019 278 N CA 2.160 55.303 53.050 0.155 0.000 0.880 278 N CB -1.070 37.444 38.487 0.045 0.000 0.965 278 N HN 0.444 nan 8.380 nan 0.000 0.437 279 I N -4.053 116.531 120.570 0.022 0.000 2.761 279 I HA 0.183 4.353 4.170 -0.000 0.000 0.261 279 I C -0.334 175.722 176.117 -0.103 0.000 1.198 279 I CA -0.026 61.216 61.300 -0.097 0.000 1.482 279 I CB -0.293 37.567 38.000 -0.234 0.000 1.100 279 I HN -0.156 nan 8.210 nan 0.000 0.445 280 F N 3.996 124.052 119.950 0.176 0.000 2.396 280 F HA 0.486 5.013 4.527 -0.000 0.000 0.343 280 F C -1.891 174.078 175.800 0.281 0.000 1.104 280 F CA -2.643 55.528 58.000 0.284 0.000 1.161 280 F CB 0.272 39.448 39.000 0.294 0.000 1.146 280 F HN -0.103 nan 8.300 nan 0.000 0.522 281 P HA 0.213 nan 4.420 nan 0.000 0.276 281 P C -0.766 176.783 177.300 0.415 0.000 1.252 281 P CA -0.292 63.020 63.100 0.353 0.000 0.802 281 P CB 1.597 33.455 31.700 0.263 0.000 1.035 282 V N -0.561 119.520 119.914 0.278 0.000 2.904 282 V HA 0.515 4.635 4.120 -0.000 0.000 0.305 282 V C 0.126 176.348 176.094 0.213 0.000 1.067 282 V CA -0.616 61.841 62.300 0.262 0.000 1.044 282 V CB 0.453 32.373 31.823 0.161 0.000 1.050 282 V HN 0.313 nan 8.190 nan 0.000 0.475 283 I N 2.167 122.850 120.570 0.189 0.000 2.436 283 I HA 0.477 4.647 4.170 -0.000 0.000 0.289 283 I C -0.240 175.895 176.117 0.029 0.000 1.010 283 I CA -0.188 61.162 61.300 0.084 0.000 1.098 283 I CB 2.078 40.106 38.000 0.046 0.000 1.266 283 I HN 0.703 nan 8.210 nan 0.000 0.434 284 S N 7.002 122.682 115.700 -0.033 0.000 2.473 284 S HA 0.636 5.106 4.470 -0.000 0.000 0.307 284 S C -0.490 174.010 174.600 -0.166 0.000 1.094 284 S CA -0.620 57.503 58.200 -0.129 0.000 1.070 284 S CB 1.466 64.563 63.200 -0.173 0.000 1.019 284 S HN 0.355 nan 8.310 nan 0.000 0.480 285 L N 3.638 124.699 121.223 -0.271 0.000 2.305 285 L HA 0.490 4.830 4.340 -0.000 0.000 0.284 285 L C -1.286 175.342 176.870 -0.403 0.000 1.013 285 L CA -0.771 53.896 54.840 -0.288 0.000 0.819 285 L CB 0.740 42.614 42.059 -0.308 0.000 1.227 285 L HN 0.617 nan 8.230 nan 0.000 0.417 286 Y N 3.874 123.917 120.300 -0.429 0.000 2.313 286 Y HA 0.487 5.037 4.550 -0.000 0.000 0.332 286 Y C 0.139 175.747 175.900 -0.488 0.000 1.071 286 Y CA -0.239 57.582 58.100 -0.465 0.000 1.169 286 Y CB 1.159 39.391 38.460 -0.380 0.000 1.192 286 Y HN 0.361 nan 8.280 nan 0.000 0.487 287 L N 4.169 125.025 121.223 -0.611 0.000 2.342 287 L HA 0.486 4.826 4.340 -0.000 0.000 0.271 287 L C -0.010 176.644 176.870 -0.359 0.000 1.008 287 L CA -1.117 53.381 54.840 -0.570 0.000 0.818 287 L CB 1.789 43.308 42.059 -0.899 0.000 1.296 287 L HN 0.612 nan 8.230 nan 0.000 0.427 288 M N 1.469 121.009 119.600 -0.099 0.000 2.251 288 M HA 0.201 4.681 4.480 -0.000 0.000 0.343 288 M C 0.481 176.891 176.300 0.184 0.000 1.245 288 M CA 0.390 55.722 55.300 0.053 0.000 1.061 288 M CB 0.656 33.306 32.600 0.083 0.000 1.723 288 M HN 0.719 nan 8.290 nan 0.000 0.449 289 G N 3.235 112.197 108.800 0.270 0.000 2.537 289 G HA2 0.237 4.197 3.960 -0.000 0.000 0.297 289 G HA3 0.237 4.197 3.960 -0.000 0.000 0.297 289 G C 0.027 175.100 174.900 0.287 0.000 1.310 289 G CA -0.425 44.929 45.100 0.424 0.000 1.027 289 G HN 0.896 nan 8.290 nan 0.000 0.505 290 E N -1.499 118.859 120.200 0.263 0.000 2.250 290 E HA 0.026 4.376 4.350 -0.000 0.000 0.192 290 E C 0.522 177.193 176.600 0.119 0.000 0.986 290 E CA 0.137 56.633 56.400 0.160 0.000 0.849 290 E CB 0.383 30.149 29.700 0.110 0.000 0.797 290 E HN 0.098 nan 8.360 nan 0.000 0.482 291 V N 2.350 122.346 119.914 0.137 0.000 2.546 291 V HA 0.038 4.158 4.120 -0.000 0.000 0.284 291 V C 0.458 176.615 176.094 0.106 0.000 1.050 291 V CA -0.257 62.105 62.300 0.103 0.000 0.981 291 V CB 1.464 33.350 31.823 0.105 0.000 0.990 291 V HN 0.089 nan 8.190 nan 0.000 0.474 292 T N 5.472 120.073 114.554 0.078 0.000 2.933 292 T HA -0.012 4.338 4.350 -0.000 0.000 0.306 292 T C 0.979 175.726 174.700 0.078 0.000 1.045 292 T CA 0.409 62.552 62.100 0.071 0.000 1.143 292 T CB -0.293 68.605 68.868 0.051 0.000 1.003 292 T HN 0.855 nan 8.240 nan 0.000 0.540 293 N N 1.256 120.002 118.700 0.078 0.000 2.714 293 N HA -0.168 4.572 4.740 -0.000 0.000 0.250 293 N C -0.176 175.396 175.510 0.103 0.000 1.117 293 N CA 0.903 54.000 53.050 0.078 0.000 0.719 293 N CB -0.678 37.846 38.487 0.061 0.000 1.081 293 N HN 0.775 nan 8.380 nan 0.000 0.557 294 Q N 0.110 119.989 119.800 0.132 0.000 2.365 294 Q HA 0.597 4.937 4.340 -0.000 0.000 0.269 294 Q C -0.583 175.547 176.000 0.217 0.000 1.061 294 Q CA -0.535 55.372 55.803 0.173 0.000 0.816 294 Q CB 1.641 30.493 28.738 0.190 0.000 1.325 294 Q HN 0.322 nan 8.270 nan 0.000 0.446 295 S N 1.754 117.606 115.700 0.253 0.000 2.661 295 S HA 0.863 5.333 4.470 -0.000 0.000 0.285 295 S C -0.937 173.868 174.600 0.341 0.000 1.138 295 S CA -0.717 57.642 58.200 0.266 0.000 0.855 295 S CB 1.234 64.557 63.200 0.204 0.000 1.136 295 S HN 0.569 nan 8.310 nan 0.000 0.484 296 F N -1.202 118.793 119.950 0.076 0.000 2.675 296 F HA 0.899 5.426 4.527 -0.000 0.000 0.324 296 F C -0.693 174.971 175.800 -0.227 0.000 1.106 296 F CA -1.322 56.560 58.000 -0.196 0.000 0.970 296 F CB 1.351 39.927 39.000 -0.708 0.000 1.385 296 F HN 0.968 nan 8.300 nan 0.000 0.489 297 R N 1.655 121.967 120.500 -0.313 0.000 2.795 297 R HA 0.834 5.174 4.340 -0.000 0.000 0.275 297 R C -1.673 174.340 176.300 -0.479 0.000 0.981 297 R CA -0.964 54.693 56.100 -0.739 0.000 0.917 297 R CB 2.491 31.952 30.300 -1.399 0.000 1.202 297 R HN 0.989 nan 8.270 nan 0.000 0.469 298 I N -0.772 119.456 120.570 -0.571 0.000 2.474 298 I HA 0.559 4.729 4.170 -0.000 0.000 0.294 298 I C -1.087 174.884 176.117 -0.243 0.000 1.005 298 I CA -0.733 60.258 61.300 -0.515 0.000 1.113 298 I CB 2.571 39.943 38.000 -1.047 0.000 1.289 298 I HN 0.524 nan 8.210 nan 0.000 0.436 299 T N 7.234 121.813 114.554 0.042 0.000 2.812 299 T HA 0.644 4.994 4.350 -0.000 0.000 0.282 299 T C -0.128 174.716 174.700 0.240 0.000 0.990 299 T CA -0.459 61.698 62.100 0.095 0.000 0.960 299 T CB 1.563 70.444 68.868 0.022 0.000 0.948 299 T HN 0.654 nan 8.240 nan 0.000 0.438 300 I N 0.615 121.304 120.570 0.199 0.000 2.982 300 I HA 0.759 4.929 4.170 -0.000 0.000 0.312 300 I C -0.983 175.230 176.117 0.160 0.000 1.041 300 I CA -1.434 59.953 61.300 0.145 0.000 1.053 300 I CB 1.327 39.438 38.000 0.185 0.000 1.248 300 I HN 0.416 nan 8.210 nan 0.000 0.471 301 L N 1.466 122.741 121.223 0.087 0.000 2.298 301 L HA 0.546 4.886 4.340 -0.000 0.000 0.268 301 L C -1.674 175.096 176.870 -0.166 0.000 1.010 301 L CA -1.731 53.136 54.840 0.045 0.000 0.812 301 L CB 1.446 43.490 42.059 -0.025 0.000 1.331 301 L HN 0.397 nan 8.230 nan 0.000 0.450 302 P HA -0.143 nan 4.420 nan 0.000 0.222 302 P C 0.885 177.891 177.300 -0.491 0.000 1.147 302 P CA 1.089 63.625 63.100 -0.940 0.000 0.790 302 P CB 0.295 31.814 31.700 -0.301 0.000 0.780 303 Q N -0.552 118.979 119.800 -0.448 0.000 2.364 303 Q HA -0.151 4.189 4.340 -0.000 0.000 0.209 303 Q C 2.125 177.992 176.000 -0.221 0.000 0.977 303 Q CA 1.395 56.870 55.803 -0.545 0.000 0.885 303 Q CB -0.413 27.905 28.738 -0.700 0.000 0.941 303 Q HN 0.287 nan 8.270 nan 0.000 0.464 304 Q N -1.857 117.847 119.800 -0.161 0.000 2.259 304 Q HA -0.010 4.330 4.340 -0.000 0.000 0.201 304 Q C 1.071 177.105 176.000 0.056 0.000 0.938 304 Q CA 0.812 56.598 55.803 -0.027 0.000 0.872 304 Q CB 0.136 28.884 28.738 0.016 0.000 0.971 304 Q HN 0.675 nan 8.270 nan 0.000 0.494 305 Y N -1.629 118.691 120.300 0.033 0.000 2.466 305 Y HA 0.417 4.967 4.550 -0.000 0.000 0.272 305 Y C -0.196 175.710 175.900 0.009 0.000 1.169 305 Y CA -0.322 57.776 58.100 -0.005 0.000 1.285 305 Y CB 0.015 38.462 38.460 -0.022 0.000 1.078 305 Y HN -0.184 nan 8.280 nan 0.000 0.523 306 L N 3.220 124.456 121.223 0.023 0.000 2.283 306 L HA 0.431 4.771 4.340 -0.000 0.000 0.281 306 L C -0.006 177.029 176.870 0.274 0.000 1.033 306 L CA -0.632 54.282 54.840 0.124 0.000 0.848 306 L CB 1.184 43.162 42.059 -0.136 0.000 1.226 306 L HN 0.111 nan 8.230 nan 0.000 0.429 307 R N 5.005 125.661 120.500 0.260 0.000 2.267 307 R HA 0.304 4.644 4.340 -0.000 0.000 0.319 307 R C -2.400 174.065 176.300 0.274 0.000 1.067 307 R CA -1.385 54.852 56.100 0.228 0.000 0.936 307 R CB 0.870 31.243 30.300 0.122 0.000 1.006 307 R HN 0.214 nan 8.270 nan 0.000 0.452 308 P HA -0.029 nan 4.420 nan 0.000 0.267 308 P C -1.207 176.066 177.300 -0.045 0.000 1.205 308 P CA -0.143 62.955 63.100 -0.004 0.000 0.765 308 P CB 0.985 32.711 31.700 0.043 0.000 0.828 309 V N -0.087 119.757 119.914 -0.118 0.000 2.971 309 V HA 0.581 4.701 4.120 -0.000 0.000 0.309 309 V C -0.379 175.668 176.094 -0.078 0.000 1.130 309 V CA -1.387 60.876 62.300 -0.062 0.000 0.964 309 V CB 2.115 33.924 31.823 -0.024 0.000 1.029 309 V HN 0.184 nan 8.190 nan 0.000 0.427 310 E N 2.331 122.504 120.200 -0.044 0.000 2.376 310 E HA 0.172 4.521 4.350 -0.000 0.000 0.266 310 E C -0.081 176.495 176.600 -0.039 0.000 1.009 310 E CA 0.211 56.590 56.400 -0.036 0.000 0.902 310 E CB 0.618 30.308 29.700 -0.018 0.000 0.972 310 E HN 0.858 nan 8.360 nan 0.000 0.439 311 D N 2.912 123.287 120.400 -0.042 0.000 2.571 311 D HA -0.098 4.542 4.640 -0.000 0.000 0.231 311 D C 1.162 177.447 176.300 -0.026 0.000 1.133 311 D CA 0.318 54.296 54.000 -0.038 0.000 0.862 311 D CB 0.967 41.748 40.800 -0.032 0.000 1.179 311 D HN 0.303 nan 8.370 nan 0.000 0.474 312 V N 2.475 122.375 119.914 -0.024 0.000 2.358 312 V HA -0.005 4.115 4.120 -0.000 0.000 0.246 312 V C 1.350 177.435 176.094 -0.015 0.000 1.047 312 V CA 1.273 63.563 62.300 -0.017 0.000 1.035 312 V CB -1.362 30.453 31.823 -0.014 0.000 0.658 312 V HN 0.596 nan 8.190 nan 0.000 0.452 313 A N 1.606 124.415 122.820 -0.018 0.000 2.262 313 A HA 0.416 4.736 4.320 -0.000 0.000 0.273 313 A C 1.744 179.320 177.584 -0.013 0.000 1.202 313 A CA 0.718 52.746 52.037 -0.014 0.000 0.811 313 A CB -0.070 18.919 19.000 -0.017 0.000 1.159 313 A HN 0.648 nan 8.150 nan 0.000 0.505 314 T N -1.741 112.807 114.554 -0.010 0.000 3.035 314 T HA 0.072 4.422 4.350 -0.000 0.000 0.259 314 T C 1.204 175.900 174.700 -0.008 0.000 1.078 314 T CA 0.808 62.903 62.100 -0.008 0.000 1.132 314 T CB -1.119 67.746 68.868 -0.006 0.000 0.900 314 T HN 1.427 nan 8.240 nan 0.000 0.480 315 S N 1.946 117.641 115.700 -0.007 0.000 2.740 315 S HA -0.131 4.339 4.470 -0.000 0.000 0.257 315 S C 0.732 175.330 174.600 -0.003 0.000 1.436 315 S CA -0.076 58.121 58.200 -0.004 0.000 1.000 315 S CB -0.009 63.188 63.200 -0.004 0.000 0.855 315 S HN 0.405 nan 8.310 nan 0.000 0.525 316 Q N 0.397 120.199 119.800 0.003 0.000 2.201 316 Q HA 0.290 4.630 4.340 -0.000 0.000 0.217 316 Q C -0.714 175.296 176.000 0.016 0.000 0.860 316 Q CA -0.106 55.700 55.803 0.006 0.000 0.984 316 Q CB -0.356 28.386 28.738 0.006 0.000 1.095 316 Q HN 0.608 nan 8.270 nan 0.000 0.477 317 D N 1.296 121.706 120.400 0.015 0.000 2.382 317 D HA 0.050 4.690 4.640 -0.000 0.000 0.240 317 D C -0.339 175.977 176.300 0.027 0.000 1.146 317 D CA 0.351 54.372 54.000 0.034 0.000 0.897 317 D CB 0.724 41.533 40.800 0.015 0.000 1.197 317 D HN -0.111 nan 8.370 nan 0.000 0.432 318 D N 0.677 121.127 120.400 0.082 0.000 2.359 318 D HA 0.245 4.885 4.640 -0.000 0.000 0.230 318 D C -0.483 175.800 176.300 -0.028 0.000 1.118 318 D CA -0.208 53.816 54.000 0.039 0.000 0.844 318 D CB 0.449 41.374 40.800 0.208 0.000 1.059 318 D HN 0.167 nan 8.370 nan 0.000 0.493 319 C N 2.812 121.925 119.300 -0.312 0.000 2.529 319 C HA 0.714 5.174 4.460 -0.000 0.000 0.329 319 C C -0.616 173.999 174.990 -0.626 0.000 1.194 319 C CA -0.802 58.048 59.018 -0.280 0.000 1.779 319 C CB 0.176 27.832 27.740 -0.140 0.000 2.322 319 C HN 0.530 nan 8.230 nan 0.000 0.500 320 Y N -0.441 119.906 120.300 0.078 0.000 2.597 320 Y HA 0.567 5.117 4.550 -0.000 0.000 0.340 320 Y C -0.123 175.866 175.900 0.148 0.000 1.097 320 Y CA -1.029 57.144 58.100 0.122 0.000 1.037 320 Y CB 1.205 39.764 38.460 0.164 0.000 1.305 320 Y HN 0.455 nan 8.280 nan 0.000 0.463 321 K N 0.970 121.552 120.400 0.302 0.000 2.259 321 K HA 0.419 4.739 4.320 -0.000 0.000 0.249 321 K C -1.532 175.173 176.600 0.174 0.000 0.942 321 K CA -0.970 55.439 56.287 0.203 0.000 0.816 321 K CB 2.006 34.568 32.500 0.104 0.000 1.155 321 K HN 0.533 nan 8.250 nan 0.000 0.428 322 F N 1.980 121.753 119.950 -0.294 0.000 2.502 322 F HA 0.160 4.687 4.527 -0.000 0.000 0.371 322 F C 0.425 176.178 175.800 -0.079 0.000 1.083 322 F CA -0.536 57.252 58.000 -0.354 0.000 1.174 322 F CB 0.497 38.947 39.000 -0.916 0.000 1.096 322 F HN 0.610 nan 8.300 nan 0.000 0.545 323 A N 8.020 130.682 122.820 -0.263 0.000 2.640 323 A HA 0.408 4.727 4.320 -0.000 0.000 0.282 323 A C 0.039 177.423 177.584 -0.332 0.000 1.357 323 A CA -0.237 51.676 52.037 -0.206 0.000 0.946 323 A CB -1.108 17.872 19.000 -0.035 0.000 1.065 323 A HN 0.620 nan 8.150 nan 0.000 0.541 324 I N 1.165 121.316 120.570 -0.699 0.000 2.436 324 I HA 0.413 4.583 4.170 -0.000 0.000 0.289 324 I C -0.032 176.041 176.117 -0.074 0.000 1.010 324 I CA -0.360 60.688 61.300 -0.419 0.000 1.098 324 I CB 2.257 39.915 38.000 -0.570 0.000 1.266 324 I HN 0.327 nan 8.210 nan 0.000 0.434 325 S N 4.422 120.088 115.700 -0.056 0.000 2.651 325 S HA 0.530 5.000 4.470 -0.000 0.000 0.279 325 S C -0.975 173.265 174.600 -0.600 0.000 1.148 325 S CA -1.049 56.953 58.200 -0.330 0.000 0.837 325 S CB 1.834 64.908 63.200 -0.210 0.000 1.138 325 S HN 0.624 nan 8.310 nan 0.000 0.478 326 Q N 0.354 119.554 119.800 -1.000 0.000 2.306 326 Q HA 0.712 5.052 4.340 -0.000 0.000 0.241 326 Q C -0.428 175.416 176.000 -0.261 0.000 0.948 326 Q CA -0.628 54.799 55.803 -0.628 0.000 0.886 326 Q CB 1.104 29.480 28.738 -0.605 0.000 1.227 326 Q HN 0.618 nan 8.270 nan 0.000 0.457 327 S N 0.031 115.651 115.700 -0.133 0.000 2.549 327 S HA 0.398 4.868 4.470 -0.000 0.000 0.280 327 S C -0.326 174.235 174.600 -0.063 0.000 1.109 327 S CA -0.262 57.885 58.200 -0.088 0.000 0.905 327 S CB 1.718 64.874 63.200 -0.073 0.000 1.081 327 S HN 0.731 nan 8.310 nan 0.000 0.477 328 S N 0.881 116.539 115.700 -0.070 0.000 2.650 328 S HA 0.186 4.656 4.470 -0.000 0.000 0.240 328 S C 0.546 175.069 174.600 -0.128 0.000 1.007 328 S CA 0.332 58.489 58.200 -0.071 0.000 0.984 328 S CB -0.130 63.045 63.200 -0.040 0.000 0.910 328 S HN 0.960 nan 8.310 nan 0.000 0.509 329 T N -1.965 112.504 114.554 -0.141 0.000 3.442 329 T HA 0.630 4.979 4.350 -0.000 0.000 0.295 329 T C 0.743 175.318 174.700 -0.207 0.000 1.007 329 T CA 0.035 62.027 62.100 -0.179 0.000 0.962 329 T CB 0.021 68.803 68.868 -0.144 0.000 1.187 329 T HN 1.323 nan 8.240 nan 0.000 0.490 330 G N 1.098 109.778 108.800 -0.200 0.000 2.710 330 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.668 330 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.668 330 G C -0.432 174.420 174.900 -0.081 0.000 1.320 330 G CA -0.633 44.376 45.100 -0.151 0.000 0.860 330 G HN 0.534 nan 8.290 nan 0.000 0.538 331 T N -0.024 114.509 114.554 -0.034 0.000 2.907 331 T HA 0.490 4.840 4.350 -0.000 0.000 0.298 331 T C 0.337 175.021 174.700 -0.027 0.000 1.017 331 T CA 0.226 62.323 62.100 -0.004 0.000 1.118 331 T CB 1.301 70.189 68.868 0.032 0.000 0.948 331 T HN 1.161 nan 8.240 nan 0.000 0.531 332 V N 4.888 124.795 119.914 -0.012 0.000 2.409 332 V HA 0.312 4.432 4.120 -0.000 0.000 0.290 332 V C -0.109 176.007 176.094 0.035 0.000 1.017 332 V CA -0.676 61.624 62.300 -0.001 0.000 0.841 332 V CB 1.418 33.233 31.823 -0.015 0.000 1.003 332 V HN 0.895 nan 8.190 nan 0.000 0.426 333 M N 4.582 124.223 119.600 0.068 0.000 2.497 333 M HA 0.396 4.876 4.480 -0.000 0.000 0.336 333 M C 0.985 177.359 176.300 0.123 0.000 1.378 333 M CA 0.189 55.548 55.300 0.098 0.000 1.375 333 M CB 0.525 33.202 32.600 0.127 0.000 1.337 333 M HN 0.806 nan 8.290 nan 0.000 0.461 334 G N 0.852 109.711 108.800 0.099 0.000 2.574 334 G HA2 0.495 4.455 3.960 -0.000 0.000 0.248 334 G HA3 0.495 4.455 3.960 -0.000 0.000 0.248 334 G C 0.913 175.886 174.900 0.121 0.000 1.422 334 G CA 0.040 45.202 45.100 0.104 0.000 1.051 334 G HN 0.679 nan 8.290 nan 0.000 0.560 335 A N -1.399 121.493 122.820 0.120 0.000 2.024 335 A HA -0.015 4.305 4.320 -0.000 0.000 0.220 335 A C 2.490 180.143 177.584 0.116 0.000 1.164 335 A CA 1.949 54.066 52.037 0.133 0.000 0.643 335 A CB -0.684 18.436 19.000 0.200 0.000 0.806 335 A HN 0.468 nan 8.150 nan 0.000 0.451 336 V N 0.136 120.113 119.914 0.105 0.000 2.392 336 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 336 V C 2.328 178.497 176.094 0.126 0.000 1.059 336 V CA 1.837 64.198 62.300 0.102 0.000 1.051 336 V CB -0.492 31.383 31.823 0.088 0.000 0.658 336 V HN 0.546 nan 8.190 nan 0.000 0.455 337 I N -1.116 119.551 120.570 0.162 0.000 2.429 337 I HA -0.064 4.106 4.170 -0.000 0.000 0.247 337 I C 2.329 178.639 176.117 0.321 0.000 1.099 337 I CA 1.407 62.868 61.300 0.269 0.000 1.422 337 I CB -0.788 37.367 38.000 0.260 0.000 1.112 337 I HN 0.284 nan 8.210 nan 0.000 0.430 338 M N 0.236 119.976 119.600 0.233 0.000 2.279 338 M HA -0.190 4.289 4.480 -0.000 0.000 0.264 338 M C 1.792 178.139 176.300 0.078 0.000 1.062 338 M CA 1.559 56.973 55.300 0.191 0.000 1.099 338 M CB -0.494 32.177 32.600 0.118 0.000 1.394 338 M HN 0.206 nan 8.290 nan 0.000 0.426 339 E N -0.056 120.161 120.200 0.028 0.000 2.347 339 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 339 E C 1.994 178.537 176.600 -0.096 0.000 1.008 339 E CA 0.700 57.085 56.400 -0.024 0.000 0.852 339 E CB -0.099 29.612 29.700 0.018 0.000 0.783 339 E HN 0.609 nan 8.360 nan 0.000 0.505 340 G N 0.001 108.646 108.800 -0.259 0.000 2.683 340 G HA2 0.051 4.011 3.960 -0.000 0.000 0.213 340 G HA3 0.051 4.011 3.960 -0.000 0.000 0.213 340 G C 0.206 174.472 174.900 -1.056 0.000 1.142 340 G CA 0.004 44.667 45.100 -0.727 0.000 0.793 340 G HN 0.005 nan 8.290 nan 0.000 0.534 341 F N -2.204 117.791 119.950 0.075 0.000 2.603 341 F HA 0.489 5.015 4.527 -0.000 0.000 0.317 341 F C -0.890 174.975 175.800 0.109 0.000 1.066 341 F CA -1.822 56.237 58.000 0.099 0.000 0.941 341 F CB 1.400 40.511 39.000 0.186 0.000 1.291 341 F HN -0.091 nan 8.300 nan 0.000 0.472 342 Y N 2.264 122.643 120.300 0.132 0.000 2.365 342 Y HA 0.620 5.170 4.550 -0.000 0.000 0.340 342 Y C -0.953 174.846 175.900 -0.169 0.000 1.016 342 Y CA -1.364 56.730 58.100 -0.010 0.000 1.196 342 Y CB 0.691 39.147 38.460 -0.006 0.000 1.167 342 Y HN 0.314 nan 8.280 nan 0.000 0.509 343 V N 7.494 127.132 119.914 -0.460 0.000 2.384 343 V HA 0.348 4.468 4.120 -0.000 0.000 0.287 343 V C -0.616 174.912 176.094 -0.942 0.000 1.020 343 V CA -1.042 60.762 62.300 -0.827 0.000 0.850 343 V CB 1.323 32.720 31.823 -0.710 0.000 0.987 343 V HN 0.557 nan 8.190 nan 0.000 0.436 344 V N 5.692 124.981 119.914 -1.043 0.000 2.333 344 V HA 0.393 4.513 4.120 -0.000 0.000 0.274 344 V C -0.370 175.233 176.094 -0.818 0.000 1.028 344 V CA -0.247 61.583 62.300 -0.783 0.000 0.851 344 V CB 0.880 32.362 31.823 -0.568 0.000 1.000 344 V HN 0.719 nan 8.190 nan 0.000 0.456 345 F N 2.934 122.399 119.950 -0.810 0.000 2.499 345 F HA 0.270 4.797 4.527 -0.000 0.000 0.353 345 F C 0.859 176.299 175.800 -0.600 0.000 1.196 345 F CA -0.418 57.023 58.000 -0.930 0.000 1.244 345 F CB 0.381 38.259 39.000 -1.869 0.000 1.577 345 F HN 0.420 nan 8.300 nan 0.000 0.614 346 D N 2.834 123.119 120.400 -0.191 0.000 2.558 346 D HA 0.095 4.735 4.640 -0.000 0.000 0.221 346 D C 1.406 177.738 176.300 0.053 0.000 1.143 346 D CA 0.081 54.051 54.000 -0.051 0.000 1.010 346 D CB 0.249 41.032 40.800 -0.029 0.000 1.068 346 D HN 0.431 nan 8.370 nan 0.000 0.511 347 R N 1.569 122.140 120.500 0.117 0.000 2.120 347 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 347 R C 2.110 178.532 176.300 0.203 0.000 1.123 347 R CA 1.347 57.609 56.100 0.269 0.000 0.975 347 R CB -0.027 30.482 30.300 0.349 0.000 0.866 347 R HN 0.349 nan 8.270 nan 0.000 0.446 348 A N 1.244 124.151 122.820 0.144 0.000 1.908 348 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 348 A C 1.746 179.365 177.584 0.058 0.000 1.181 348 A CA 1.326 53.423 52.037 0.101 0.000 0.627 348 A CB -0.191 18.855 19.000 0.077 0.000 0.818 348 A HN 0.226 nan 8.150 nan 0.000 0.445 349 R N -1.584 118.933 120.500 0.027 0.000 2.507 349 R HA 0.216 4.556 4.340 -0.000 0.000 0.298 349 R C -0.077 176.232 176.300 0.016 0.000 0.999 349 R CA 0.126 56.219 56.100 -0.012 0.000 1.082 349 R CB 0.088 30.331 30.300 -0.095 0.000 1.246 349 R HN 0.473 nan 8.270 nan 0.000 0.553 350 K N 2.111 122.556 120.400 0.076 0.000 3.278 350 K HA -0.234 4.086 4.320 -0.000 0.000 0.270 350 K C -1.073 175.594 176.600 0.112 0.000 0.955 350 K CA 0.827 57.181 56.287 0.112 0.000 0.723 350 K CB -0.639 31.903 32.500 0.071 0.000 1.382 350 K HN 0.453 nan 8.250 nan 0.000 0.461 351 R N -0.153 120.413 120.500 0.110 0.000 2.710 351 R HA 0.606 4.946 4.340 -0.000 0.000 0.270 351 R C -0.937 175.427 176.300 0.106 0.000 1.021 351 R CA -1.152 55.027 56.100 0.131 0.000 0.889 351 R CB 1.120 31.473 30.300 0.089 0.000 1.243 351 R HN 0.069 nan 8.270 nan 0.000 0.464 352 I N 1.122 121.752 120.570 0.100 0.000 2.406 352 I HA 0.463 4.633 4.170 -0.000 0.000 0.290 352 I C 0.113 176.108 176.117 -0.203 0.000 0.999 352 I CA -0.854 60.324 61.300 -0.203 0.000 1.124 352 I CB 2.302 40.117 38.000 -0.309 0.000 1.289 352 I HN 0.871 nan 8.210 nan 0.000 0.441 353 G N 5.198 113.645 108.800 -0.589 0.000 2.389 353 G HA2 0.721 4.681 3.960 -0.000 0.000 0.328 353 G HA3 0.721 4.681 3.960 -0.000 0.000 0.328 353 G C -1.323 173.012 174.900 -0.942 0.000 1.133 353 G CA -0.236 44.276 45.100 -0.981 0.000 0.891 353 G HN 0.330 nan 8.290 nan 0.000 0.485 354 F N 0.417 120.023 119.950 -0.573 0.000 2.529 354 F HA 0.721 5.248 4.527 -0.000 0.000 0.320 354 F C 0.385 176.014 175.800 -0.284 0.000 1.118 354 F CA -0.562 57.219 58.000 -0.366 0.000 0.915 354 F CB 2.745 41.571 39.000 -0.289 0.000 1.161 354 F HN 0.713 nan 8.300 nan 0.000 0.445 355 A N 1.687 124.533 122.820 0.044 0.000 2.539 355 A HA 0.750 5.070 4.320 -0.000 0.000 0.296 355 A C -1.349 176.448 177.584 0.355 0.000 1.073 355 A CA -0.851 51.256 52.037 0.116 0.000 0.700 355 A CB 1.190 20.113 19.000 -0.129 0.000 1.296 355 A HN 0.463 nan 8.150 nan 0.000 0.405 356 V N 1.790 121.899 119.914 0.324 0.000 2.557 356 V HA 0.194 4.314 4.120 -0.000 0.000 0.301 356 V C 1.209 177.421 176.094 0.196 0.000 1.026 356 V CA 0.543 62.970 62.300 0.212 0.000 1.137 356 V CB 1.081 32.957 31.823 0.089 0.000 0.917 356 V HN 0.929 nan 8.190 nan 0.000 0.484 357 S N 4.229 119.989 115.700 0.100 0.000 2.548 357 S HA 0.383 4.853 4.470 -0.000 0.000 0.277 357 S C 1.260 175.980 174.600 0.200 0.000 1.315 357 S CA -0.171 58.124 58.200 0.158 0.000 1.050 357 S CB 1.258 64.514 63.200 0.094 0.000 0.918 357 S HN 0.999 nan 8.310 nan 0.000 0.497 358 A N 3.243 126.128 122.820 0.108 0.000 2.216 358 A HA 0.004 4.323 4.320 -0.000 0.000 0.214 358 A C 1.724 179.331 177.584 0.038 0.000 1.160 358 A CA 1.069 53.142 52.037 0.060 0.000 0.725 358 A CB -1.099 17.892 19.000 -0.016 0.000 0.784 358 A HN 1.247 nan 8.150 nan 0.000 0.472 359 c N -1.002 117.626 118.600 0.046 0.000 2.994 359 c HA 0.380 4.950 4.570 -0.000 0.000 0.284 359 c C 0.747 174.837 174.090 -0.001 0.000 1.404 359 c CA -0.386 55.942 56.329 -0.000 0.000 1.775 359 c CB -1.880 40.622 42.510 -0.013 0.000 2.458 359 c HN 0.656 nan 8.230 nan 0.000 0.593 360 H N 0.504 119.553 119.070 -0.034 0.000 2.707 360 H HA 0.519 5.074 4.556 -0.000 0.000 0.359 360 H C -0.728 174.589 175.328 -0.018 0.000 1.113 360 H CA -0.065 55.943 56.048 -0.067 0.000 1.422 360 H CB 0.914 30.589 29.762 -0.145 0.000 1.443 360 H HN 0.165 nan 8.280 nan 0.000 0.591 361 V N 5.813 125.656 119.914 -0.119 0.000 2.530 361 V HA 0.188 4.308 4.120 -0.000 0.000 0.282 361 V C 0.647 176.606 176.094 -0.224 0.000 1.048 361 V CA 0.016 62.170 62.300 -0.243 0.000 0.997 361 V CB 0.416 32.117 31.823 -0.203 0.000 0.987 361 V HN 1.054 nan 8.190 nan 0.000 0.477 362 H N 2.490 121.338 119.070 -0.370 0.000 2.950 362 H HA 0.656 5.212 4.556 -0.000 0.000 0.272 362 H C -1.534 173.604 175.328 -0.316 0.000 1.495 362 H CA -0.790 55.071 56.048 -0.311 0.000 1.183 362 H CB 1.733 31.373 29.762 -0.205 0.000 1.867 362 H HN 0.636 nan 8.280 nan 0.000 0.597 363 D N -1.269 119.077 120.400 -0.089 0.000 2.758 363 D HA 0.121 4.761 4.640 -0.000 0.000 0.279 363 D C 0.678 176.958 176.300 -0.033 0.000 1.111 363 D CA -0.791 53.118 54.000 -0.151 0.000 1.109 363 D CB 1.252 41.990 40.800 -0.105 0.000 1.428 363 D HN 0.669 nan 8.370 nan 0.000 0.586 364 E N -1.359 118.679 120.200 -0.270 0.000 2.427 364 E HA -0.010 4.340 4.350 -0.000 0.000 0.196 364 E C 0.549 176.884 176.600 -0.441 0.000 1.028 364 E CA 0.518 56.681 56.400 -0.394 0.000 0.864 364 E CB -0.086 29.253 29.700 -0.602 0.000 0.813 364 E HN 0.503 nan 8.360 nan 0.000 0.514 365 F N -0.139 119.848 119.950 0.062 0.000 2.678 365 F HA 0.306 4.833 4.527 -0.000 0.000 0.291 365 F C 0.890 176.718 175.800 0.048 0.000 1.123 365 F CA -0.102 57.929 58.000 0.051 0.000 1.395 365 F CB 0.576 39.608 39.000 0.054 0.000 1.121 365 F HN -0.288 nan 8.300 nan 0.000 0.592 366 R N -0.391 120.224 120.500 0.193 0.000 2.740 366 R HA 0.559 4.899 4.340 -0.000 0.000 0.273 366 R C -0.877 175.467 176.300 0.073 0.000 0.998 366 R CA -0.632 55.544 56.100 0.127 0.000 0.900 366 R CB 2.132 32.517 30.300 0.141 0.000 1.223 366 R HN -0.025 nan 8.270 nan 0.000 0.466 367 T N -2.033 112.539 114.554 0.030 0.000 2.896 367 T HA 0.717 5.067 4.350 -0.000 0.000 0.297 367 T C -0.071 174.636 174.700 0.011 0.000 1.108 367 T CA -0.882 61.240 62.100 0.037 0.000 1.004 367 T CB 1.852 70.653 68.868 -0.112 0.000 1.159 367 T HN 0.663 nan 8.240 nan 0.000 0.499 368 A N 0.831 123.566 122.820 -0.142 0.000 2.429 368 A HA 0.749 5.069 4.320 -0.000 0.000 0.242 368 A C 0.551 178.051 177.584 -0.141 0.000 1.088 368 A CA -0.043 51.819 52.037 -0.291 0.000 0.784 368 A CB -0.602 17.911 19.000 -0.812 0.000 1.038 368 A HN 1.858 nan 8.150 nan 0.000 0.501 369 A N -0.275 122.586 122.820 0.069 0.000 2.587 369 A HA 0.660 4.980 4.320 -0.000 0.000 0.293 369 A C -1.301 176.377 177.584 0.157 0.000 1.087 369 A CA -0.404 51.691 52.037 0.098 0.000 0.692 369 A CB 1.483 20.506 19.000 0.038 0.000 1.291 369 A HN 1.444 nan 8.150 nan 0.000 0.407 370 V N 1.568 121.535 119.914 0.089 0.000 2.488 370 V HA 0.537 4.657 4.120 -0.000 0.000 0.293 370 V C -0.627 175.414 176.094 -0.088 0.000 1.027 370 V CA -0.284 62.015 62.300 -0.002 0.000 0.862 370 V CB 1.226 33.105 31.823 0.094 0.000 1.008 370 V HN 0.968 nan 8.190 nan 0.000 0.428 371 E N 2.294 122.346 120.200 -0.247 0.000 2.367 371 E HA 0.886 5.236 4.350 -0.000 0.000 0.273 371 E C -0.080 176.088 176.600 -0.720 0.000 0.903 371 E CA -0.731 55.472 56.400 -0.328 0.000 0.764 371 E CB 2.977 32.630 29.700 -0.079 0.000 1.252 371 E HN 0.891 nan 8.360 nan 0.000 0.446 372 G N 1.118 109.351 108.800 -0.945 0.000 2.349 372 G HA2 0.422 4.382 3.960 -0.000 0.000 0.294 372 G HA3 0.422 4.382 3.960 -0.000 0.000 0.294 372 G C -2.978 171.522 174.900 -0.667 0.000 1.380 372 G CA -0.741 43.542 45.100 -1.361 0.000 0.811 372 G HN 0.380 nan 8.290 nan 0.000 0.519 373 P HA 0.782 nan 4.420 nan 0.000 0.285 373 P C -1.563 175.288 177.300 -0.748 0.000 1.285 373 P CA -0.644 62.166 63.100 -0.484 0.000 0.854 373 P CB 1.544 33.282 31.700 0.063 0.000 1.180 374 F N -1.159 118.816 119.950 0.041 0.000 2.529 374 F HA 0.263 4.790 4.527 -0.000 0.000 0.320 374 F C 0.194 176.030 175.800 0.059 0.000 1.118 374 F CA -1.190 56.846 58.000 0.060 0.000 0.915 374 F CB 1.967 41.032 39.000 0.109 0.000 1.161 374 F HN -0.098 nan 8.300 nan 0.000 0.445 375 V N 2.810 122.841 119.914 0.195 0.000 2.446 375 V HA 0.241 4.361 4.120 -0.000 0.000 0.276 375 V C -0.071 176.093 176.094 0.116 0.000 1.030 375 V CA 0.329 62.706 62.300 0.127 0.000 1.033 375 V CB 0.388 32.263 31.823 0.088 0.000 0.993 375 V HN 0.825 nan 8.190 nan 0.000 0.477 376 T N 6.793 121.406 114.554 0.099 0.000 2.881 376 T HA 0.605 4.954 4.350 -0.000 0.000 0.290 376 T C -0.398 174.329 174.700 0.045 0.000 1.000 376 T CA -0.488 61.646 62.100 0.057 0.000 0.978 376 T CB 1.342 70.245 68.868 0.058 0.000 0.997 376 T HN 0.307 nan 8.240 nan 0.000 0.443 377 L N 1.891 123.129 121.223 0.024 0.000 2.375 377 L HA 0.457 4.797 4.340 -0.000 0.000 0.268 377 L C 0.137 177.019 176.870 0.020 0.000 1.058 377 L CA -0.908 53.946 54.840 0.024 0.000 0.803 377 L CB 0.594 42.663 42.059 0.016 0.000 1.212 377 L HN 0.650 nan 8.230 nan 0.000 0.451 378 D N 1.309 121.722 120.400 0.023 0.000 2.702 378 D HA -0.233 4.407 4.640 -0.000 0.000 0.233 378 D C 1.125 177.441 176.300 0.027 0.000 1.164 378 D CA 0.859 54.872 54.000 0.021 0.000 0.638 378 D CB -0.517 40.291 40.800 0.012 0.000 1.041 378 D HN 0.555 nan 8.370 nan 0.000 0.422 379 M N -0.699 118.923 119.600 0.036 0.000 2.279 379 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 379 M C 2.139 178.469 176.300 0.051 0.000 1.062 379 M CA 1.333 56.659 55.300 0.045 0.000 1.099 379 M CB -0.094 32.538 32.600 0.055 0.000 1.394 379 M HN 0.133 nan 8.290 nan 0.000 0.426 380 E N 0.925 121.152 120.200 0.046 0.000 2.153 380 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 380 E C 0.955 177.581 176.600 0.043 0.000 0.988 380 E CA 1.187 57.614 56.400 0.045 0.000 0.811 380 E CB 0.098 29.818 29.700 0.034 0.000 0.746 380 E HN 0.440 nan 8.360 nan 0.000 0.466 381 D N -0.202 120.218 120.400 0.035 0.000 2.371 381 D HA -0.083 4.557 4.640 -0.000 0.000 0.221 381 D C 1.475 177.803 176.300 0.047 0.000 0.986 381 D CA 0.400 54.419 54.000 0.031 0.000 0.899 381 D CB -0.120 40.690 40.800 0.017 0.000 0.902 381 D HN 0.307 nan 8.370 nan 0.000 0.530 382 c N 0.772 119.408 118.600 0.060 0.000 2.468 382 c HA 0.165 4.735 4.570 -0.000 0.000 0.277 382 c C 1.691 175.852 174.090 0.119 0.000 1.400 382 c CA -0.312 56.065 56.329 0.080 0.000 1.770 382 c CB -0.960 41.604 42.510 0.090 0.000 1.905 382 c HN 0.221 nan 8.230 nan 0.000 0.519 383 G N -0.871 107.997 108.800 0.114 0.000 2.442 383 G HA2 0.356 4.316 3.960 -0.000 0.000 0.249 383 G HA3 0.356 4.316 3.960 -0.000 0.000 0.249 383 G C -0.962 174.047 174.900 0.182 0.000 1.263 383 G CA 0.080 45.268 45.100 0.146 0.000 0.846 383 G HN 0.408 nan 8.290 nan 0.000 0.555 384 Y N 2.332 122.693 120.300 0.102 0.000 2.334 384 Y HA 0.403 4.953 4.550 -0.000 0.000 0.328 384 Y C 0.290 176.245 175.900 0.092 0.000 1.130 384 Y CA -0.995 57.173 58.100 0.114 0.000 1.163 384 Y CB 0.999 39.563 38.460 0.173 0.000 1.207 384 Y HN 0.495 nan 8.280 nan 0.000 0.471 385 N N 0.000 118.292 118.700 -0.679 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 385 N CA 0.000 52.759 53.050 -0.485 0.000 0.885 385 N CB 0.000 38.323 38.487 -0.273 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667