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 2zjn_1_A DATA FIRST_RESID 1 DATA SEQUENCE EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR DATA SEQUENCE YYQRQLSSTY RDLRKGVYVP YTXXKWEGEL GTDLVSIPHG PNVTVRANIA DATA SEQUENCE AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF DATA SEQUENCE SLQLcGXXXX XXXXXXXXSV GGSMIIGGID HSLYTGSLWY TPIRREWYYE DATA SEQUENCE VIIVRVEING QDLKMDcKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA DATA SEQUENCE ASSTEKFPDG FWLGEQLVcW QAGTTPWNIF PVISLYLMGE VTNQSFRITI DATA SEQUENCE LPQQYLRPVX XXXXXXXDcY KFAISQSSTG TVMGAVIMEG FYVVFDRARK DATA SEQUENCE RIGFAVSAcH VHDEFRTAAV EGPFVTLDME DcGYNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXGSFV 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 0.000 176.714 176.600 0.191 0.000 1.382 1 E CA 0.000 56.501 56.400 0.168 0.000 0.976 1 E CB 0.000 29.796 29.700 0.160 0.000 0.812 2 M N 0.717 120.426 119.600 0.182 0.000 2.441 2 M HA 0.222 4.702 4.480 -0.000 0.000 0.244 2 M C 0.091 176.454 176.300 0.106 0.000 1.122 2 M CA 0.206 55.597 55.300 0.151 0.000 1.041 2 M CB 0.914 33.595 32.600 0.135 0.000 1.438 2 M HN -0.193 nan 8.290 nan 0.000 0.484 3 V N 2.392 122.366 119.914 0.101 0.000 2.572 3 V HA -0.031 4.089 4.120 -0.000 0.000 0.291 3 V C 0.362 176.468 176.094 0.021 0.000 1.039 3 V CA 0.506 62.846 62.300 0.065 0.000 1.055 3 V CB 0.588 32.449 31.823 0.062 0.000 0.969 3 V HN 0.542 nan 8.190 nan 0.000 0.482 4 D N 3.363 123.769 120.400 0.011 0.000 2.835 4 D HA -0.174 4.466 4.640 -0.000 0.000 0.230 4 D C 0.964 177.228 176.300 -0.061 0.000 1.130 4 D CA 1.054 55.042 54.000 -0.019 0.000 0.738 4 D CB -0.714 40.071 40.800 -0.026 0.000 1.090 4 D HN 0.855 nan 8.370 nan 0.000 0.433 5 N N -0.190 118.486 118.700 -0.041 0.000 2.336 5 N HA 0.022 4.762 4.740 -0.000 0.000 0.189 5 N C 0.420 175.910 175.510 -0.034 0.000 1.113 5 N CA 0.183 53.196 53.050 -0.063 0.000 0.858 5 N CB 0.031 38.529 38.487 0.017 0.000 0.970 5 N HN 0.400 nan 8.380 nan 0.000 0.471 6 L N 0.753 121.960 121.223 -0.028 0.000 2.317 6 L HA 0.525 4.865 4.340 -0.000 0.000 0.281 6 L C 0.267 177.070 176.870 -0.111 0.000 1.024 6 L CA -0.768 54.050 54.840 -0.036 0.000 0.810 6 L CB 1.397 43.486 42.059 0.051 0.000 1.240 6 L HN -0.096 nan 8.230 nan 0.000 0.427 7 R N 1.440 121.716 120.500 -0.373 0.000 2.854 7 R HA 0.884 5.224 4.340 -0.000 0.000 0.271 7 R C -0.353 175.401 176.300 -0.909 0.000 0.994 7 R CA -0.784 54.993 56.100 -0.539 0.000 0.945 7 R CB 2.306 32.323 30.300 -0.471 0.000 1.194 7 R HN 0.844 nan 8.270 nan 0.000 0.476 8 G N 0.502 108.964 108.800 -0.564 0.000 2.488 8 G HA2 0.401 4.361 3.960 -0.000 0.000 0.301 8 G HA3 0.401 4.361 3.960 -0.000 0.000 0.301 8 G C -1.651 173.133 174.900 -0.193 0.000 1.339 8 G CA -0.652 44.199 45.100 -0.414 0.000 0.803 8 G HN 0.237 nan 8.290 nan 0.000 0.482 9 K N 0.143 120.471 120.400 -0.121 0.000 2.371 9 K HA 0.574 4.894 4.320 -0.000 0.000 0.251 9 K C -0.166 176.370 176.600 -0.107 0.000 0.934 9 K CA -0.650 55.593 56.287 -0.074 0.000 0.798 9 K CB 2.179 34.686 32.500 0.012 0.000 1.204 9 K HN 0.509 nan 8.250 nan 0.000 0.427 10 S N 1.236 116.885 115.700 -0.085 0.000 3.106 10 S HA 0.074 4.544 4.470 -0.000 0.000 0.363 10 S C 1.128 175.704 174.600 -0.041 0.000 1.191 10 S CA 1.635 59.796 58.200 -0.064 0.000 1.191 10 S CB -0.905 62.280 63.200 -0.024 0.000 0.884 10 S HN 0.896 nan 8.310 nan 0.000 0.526 11 G N 4.161 112.932 108.800 -0.049 0.000 2.175 11 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 11 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 11 G C 0.373 175.260 174.900 -0.021 0.000 0.982 11 G CA 0.438 45.525 45.100 -0.022 0.000 0.641 11 G HN 0.681 nan 8.290 nan 0.000 0.527 12 Q N 0.030 119.810 119.800 -0.032 0.000 2.172 12 Q HA 0.463 4.803 4.340 -0.000 0.000 0.217 12 Q C 1.165 177.140 176.000 -0.042 0.000 0.832 12 Q CA 0.296 56.113 55.803 0.023 0.000 1.010 12 Q CB 1.001 29.813 28.738 0.124 0.000 1.133 12 Q HN 1.623 nan 8.270 nan 0.000 0.489 13 G N 0.765 109.495 108.800 -0.117 0.000 2.846 13 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.660 13 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.660 13 G C -1.116 173.671 174.900 -0.188 0.000 1.464 13 G CA -0.804 44.229 45.100 -0.112 0.000 0.891 13 G HN 0.225 nan 8.290 nan 0.000 0.552 14 Y N 0.185 120.422 120.300 -0.106 0.000 2.330 14 Y HA 0.622 5.172 4.550 -0.000 0.000 0.336 14 Y C 0.718 176.559 175.900 -0.100 0.000 1.036 14 Y CA -0.246 57.768 58.100 -0.144 0.000 1.125 14 Y CB 1.499 39.887 38.460 -0.121 0.000 1.194 14 Y HN 0.755 nan 8.280 nan 0.000 0.469 15 Y N 0.518 120.856 120.300 0.063 0.000 2.524 15 Y HA 0.809 5.359 4.550 -0.000 0.000 0.344 15 Y C -1.376 174.556 175.900 0.052 0.000 1.012 15 Y CA -1.850 56.270 58.100 0.032 0.000 1.068 15 Y CB 0.890 39.386 38.460 0.060 0.000 1.249 15 Y HN 0.423 nan 8.280 nan 0.000 0.468 16 V N 2.241 122.298 119.914 0.237 0.000 2.715 16 V HA 0.381 4.501 4.120 -0.000 0.000 0.310 16 V C -0.596 175.611 176.094 0.188 0.000 1.054 16 V CA -0.910 61.484 62.300 0.156 0.000 0.928 16 V CB 1.753 33.608 31.823 0.054 0.000 1.007 16 V HN 0.992 nan 8.190 nan 0.000 0.437 17 E N 5.168 125.474 120.200 0.177 0.000 2.344 17 E HA 0.391 4.741 4.350 -0.000 0.000 0.270 17 E C -0.874 175.775 176.600 0.082 0.000 1.021 17 E CA -0.102 56.388 56.400 0.151 0.000 0.887 17 E CB 0.710 30.524 29.700 0.191 0.000 0.997 17 E HN 0.652 nan 8.360 nan 0.000 0.429 18 M N 2.172 121.803 119.600 0.052 0.000 2.572 18 M HA 0.274 4.753 4.480 -0.000 0.000 0.299 18 M C -0.633 175.677 176.300 0.017 0.000 1.205 18 M CA -0.772 54.529 55.300 0.002 0.000 0.876 18 M CB 2.581 35.158 32.600 -0.040 0.000 1.728 18 M HN 0.326 nan 8.290 nan 0.000 0.458 19 T N 1.884 116.438 114.554 0.001 0.000 2.824 19 T HA 0.685 5.035 4.350 -0.000 0.000 0.280 19 T C -0.948 173.765 174.700 0.021 0.000 0.995 19 T CA -0.432 61.677 62.100 0.015 0.000 1.009 19 T CB 1.187 70.062 68.868 0.012 0.000 0.955 19 T HN 0.404 nan 8.240 nan 0.000 0.452 20 V N 2.611 122.539 119.914 0.023 0.000 2.638 20 V HA 0.863 4.982 4.120 -0.000 0.000 0.306 20 V C 0.478 176.622 176.094 0.084 0.000 1.052 20 V CA -0.233 62.068 62.300 0.001 0.000 0.885 20 V CB 1.199 32.897 31.823 -0.208 0.000 0.999 20 V HN 1.300 nan 8.190 nan 0.000 0.424 21 G N 4.085 112.962 108.800 0.127 0.000 2.795 21 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.664 21 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.664 21 G C -0.431 174.543 174.900 0.123 0.000 1.381 21 G CA -0.271 44.943 45.100 0.189 0.000 0.853 21 G HN 1.048 nan 8.290 nan 0.000 0.545 22 S N 2.509 118.279 115.700 0.117 0.000 2.659 22 S HA 0.718 5.187 4.470 -0.000 0.000 0.312 22 S C -2.090 172.550 174.600 0.067 0.000 1.114 22 S CA -0.696 57.551 58.200 0.079 0.000 1.063 22 S CB 2.590 65.832 63.200 0.070 0.000 0.996 22 S HN 0.806 nan 8.310 nan 0.000 0.478 23 P HA 0.275 nan 4.420 nan 0.000 0.272 23 P C -2.860 174.470 177.300 0.049 0.000 1.240 23 P CA -1.553 61.572 63.100 0.041 0.000 0.791 23 P CB -0.895 30.821 31.700 0.027 0.000 0.978 24 P HA 0.068 nan 4.420 nan 0.000 0.264 24 P C -0.579 176.744 177.300 0.039 0.000 1.183 24 P CA 0.737 63.861 63.100 0.039 0.000 0.763 24 P CB 0.112 31.826 31.700 0.023 0.000 0.807 25 Q N 1.379 121.209 119.800 0.051 0.000 2.401 25 Q HA 0.257 4.597 4.340 -0.000 0.000 0.260 25 Q C -0.502 175.518 176.000 0.032 0.000 1.034 25 Q CA -0.428 55.403 55.803 0.045 0.000 0.737 25 Q CB 0.958 29.751 28.738 0.092 0.000 1.227 25 Q HN 0.345 nan 8.270 nan 0.000 0.488 26 T N 3.635 118.199 114.554 0.017 0.000 2.853 26 T HA 0.303 4.653 4.350 -0.000 0.000 0.298 26 T C -0.134 174.575 174.700 0.015 0.000 0.978 26 T CA 0.274 62.384 62.100 0.018 0.000 1.152 26 T CB 0.156 69.033 68.868 0.015 0.000 0.914 26 T HN 0.342 nan 8.240 nan 0.000 0.539 27 L N 3.515 124.755 121.223 0.028 0.000 2.434 27 L HA 0.435 4.775 4.340 -0.000 0.000 0.260 27 L C 0.038 176.936 176.870 0.046 0.000 0.983 27 L CA -0.937 53.921 54.840 0.030 0.000 0.820 27 L CB 2.259 44.343 42.059 0.042 0.000 1.361 27 L HN 0.564 nan 8.230 nan 0.000 0.410 28 N N 2.778 121.487 118.700 0.016 0.000 2.434 28 N HA 0.519 5.259 4.740 -0.000 0.000 0.272 28 N C -1.192 174.380 175.510 0.104 0.000 1.040 28 N CA -0.519 52.541 53.050 0.017 0.000 0.956 28 N CB 1.199 39.522 38.487 -0.274 0.000 1.108 28 N HN 0.230 nan 8.380 nan 0.000 0.481 29 I N 3.345 124.016 120.570 0.169 0.000 2.466 29 I HA 0.275 4.444 4.170 -0.000 0.000 0.289 29 I C 0.073 176.265 176.117 0.126 0.000 1.026 29 I CA -0.607 60.789 61.300 0.161 0.000 1.078 29 I CB 1.592 39.687 38.000 0.159 0.000 1.249 29 I HN 0.377 nan 8.210 nan 0.000 0.429 30 L N 5.384 126.608 121.223 0.002 0.000 2.485 30 L HA 0.175 4.515 4.340 -0.000 0.000 0.275 30 L C 0.044 176.874 176.870 -0.067 0.000 1.207 30 L CA -0.258 54.509 54.840 -0.122 0.000 0.855 30 L CB 0.544 42.337 42.059 -0.445 0.000 1.114 30 L HN 0.255 nan 8.230 nan 0.000 0.485 31 V N 2.051 121.934 119.914 -0.053 0.000 2.318 31 V HA 0.222 4.341 4.120 -0.000 0.000 0.271 31 V C -0.446 175.597 176.094 -0.085 0.000 1.030 31 V CA -0.233 62.019 62.300 -0.079 0.000 0.844 31 V CB 1.120 32.902 31.823 -0.069 0.000 1.015 31 V HN 0.632 nan 8.190 nan 0.000 0.460 32 D N 3.125 123.471 120.400 -0.090 0.000 2.542 32 D HA 0.280 4.919 4.640 -0.000 0.000 0.252 32 D C 1.000 177.284 176.300 -0.026 0.000 1.222 32 D CA -0.219 53.753 54.000 -0.048 0.000 0.895 32 D CB 2.128 42.912 40.800 -0.027 0.000 1.207 32 D HN 0.546 nan 8.370 nan 0.000 0.558 33 T N -0.148 114.401 114.554 -0.008 0.000 3.129 33 T HA 0.192 4.542 4.350 -0.000 0.000 0.251 33 T C 1.493 176.346 174.700 0.255 0.000 1.117 33 T CA 0.292 62.446 62.100 0.091 0.000 1.034 33 T CB 0.319 69.141 68.868 -0.076 0.000 0.968 33 T HN 0.305 nan 8.240 nan 0.000 0.526 34 G N 1.082 109.989 108.800 0.179 0.000 3.088 34 G HA2 0.400 4.360 3.960 -0.000 0.000 0.217 34 G HA3 0.400 4.360 3.960 -0.000 0.000 0.217 34 G C 0.412 175.449 174.900 0.228 0.000 1.159 34 G CA 0.140 45.383 45.100 0.239 0.000 0.760 34 G HN 0.721 nan 8.290 nan 0.000 0.550 35 S N -1.823 113.967 115.700 0.150 0.000 2.704 35 S HA 0.683 5.153 4.470 -0.000 0.000 0.296 35 S C 0.128 174.779 174.600 0.084 0.000 1.138 35 S CA -0.301 57.980 58.200 0.134 0.000 0.875 35 S CB 2.022 65.349 63.200 0.213 0.000 1.151 35 S HN -0.107 nan 8.310 nan 0.000 0.500 36 S N 0.045 115.799 115.700 0.090 0.000 2.733 36 S HA 0.353 4.823 4.470 -0.000 0.000 0.247 36 S C -0.464 174.223 174.600 0.145 0.000 1.043 36 S CA -0.399 57.849 58.200 0.079 0.000 1.066 36 S CB -0.260 62.961 63.200 0.034 0.000 1.045 36 S HN 0.712 nan 8.310 nan 0.000 0.586 37 N N 1.263 120.082 118.700 0.198 0.000 2.456 37 N HA 0.422 5.161 4.740 -0.000 0.000 0.288 37 N C -1.218 174.463 175.510 0.286 0.000 1.059 37 N CA -0.369 52.834 53.050 0.256 0.000 0.946 37 N CB 0.856 39.541 38.487 0.331 0.000 1.150 37 N HN 0.245 nan 8.380 nan 0.000 0.479 38 F N 2.342 122.353 119.950 0.102 0.000 2.375 38 F HA 0.614 5.141 4.527 -0.000 0.000 0.362 38 F C -0.363 175.428 175.800 -0.015 0.000 1.129 38 F CA -0.632 57.383 58.000 0.025 0.000 1.154 38 F CB 0.189 39.203 39.000 0.023 0.000 1.205 38 F HN 0.442 nan 8.300 nan 0.000 0.513 39 A N 6.088 128.640 122.820 -0.448 0.000 2.393 39 A HA 0.773 5.093 4.320 -0.000 0.000 0.306 39 A C -1.355 175.868 177.584 -0.602 0.000 1.050 39 A CA -0.508 51.145 52.037 -0.641 0.000 0.724 39 A CB 1.566 19.992 19.000 -0.956 0.000 1.248 39 A HN 0.909 nan 8.150 nan 0.000 0.424 40 V N -0.603 119.012 119.914 -0.498 0.000 3.040 40 V HA 0.945 5.065 4.120 -0.000 0.000 0.312 40 V C 0.403 176.497 176.094 -0.001 0.000 1.115 40 V CA -0.363 61.813 62.300 -0.206 0.000 0.998 40 V CB 1.314 32.979 31.823 -0.264 0.000 1.042 40 V HN 1.601 nan 8.190 nan 0.000 0.433 41 G N 0.597 109.513 108.800 0.194 0.000 2.365 41 G HA2 0.535 4.495 3.960 -0.000 0.000 0.249 41 G HA3 0.535 4.495 3.960 -0.000 0.000 0.249 41 G C 0.534 175.533 174.900 0.164 0.000 1.288 41 G CA 0.213 45.428 45.100 0.191 0.000 0.887 41 G HN 1.785 nan 8.290 nan 0.000 0.524 42 A N 1.663 124.544 122.820 0.101 0.000 2.427 42 A HA 0.763 5.083 4.320 -0.000 0.000 0.225 42 A C 1.091 178.644 177.584 -0.051 0.000 1.257 42 A CA 0.937 53.019 52.037 0.075 0.000 0.985 42 A CB 0.339 19.354 19.000 0.025 0.000 1.136 42 A HN 1.468 nan 8.150 nan 0.000 0.538 43 A N 0.789 123.507 122.820 -0.169 0.000 2.374 43 A HA 0.713 5.033 4.320 -0.000 0.000 0.317 43 A C -2.836 174.359 177.584 -0.648 0.000 1.094 43 A CA -1.869 49.955 52.037 -0.355 0.000 0.765 43 A CB 0.723 19.623 19.000 -0.167 0.000 1.268 43 A HN 0.020 nan 8.150 nan 0.000 0.438 44 P HA -0.001 nan 4.420 nan 0.000 0.235 44 P C -0.279 176.797 177.300 -0.373 0.000 1.765 44 P CA 0.256 62.852 63.100 -0.840 0.000 1.034 44 P CB -0.661 30.667 31.700 -0.620 0.000 1.984 45 H N 3.170 122.004 119.070 -0.393 0.000 2.897 45 H HA 0.037 4.593 4.556 -0.000 0.000 0.347 45 H C -1.246 173.899 175.328 -0.304 0.000 1.068 45 H CA -0.884 54.967 56.048 -0.330 0.000 1.426 45 H CB 0.897 30.444 29.762 -0.358 0.000 1.410 45 H HN 0.069 nan 8.280 nan 0.000 0.597 46 P HA -0.142 nan 4.420 nan 0.000 0.218 46 P C 1.093 178.386 177.300 -0.012 0.000 1.148 46 P CA 1.405 64.308 63.100 -0.328 0.000 0.822 46 P CB -0.063 31.369 31.700 -0.447 0.000 0.784 47 F N -1.658 118.301 119.950 0.015 0.000 2.661 47 F HA 0.054 4.581 4.527 -0.000 0.000 0.298 47 F C 1.141 176.818 175.800 -0.204 0.000 1.137 47 F CA -0.510 57.460 58.000 -0.049 0.000 1.454 47 F CB -0.114 38.915 39.000 0.048 0.000 1.103 47 F HN -0.184 nan 8.300 nan 0.000 0.577 48 L N 0.138 121.327 121.223 -0.057 0.000 2.305 48 L HA 0.124 4.463 4.340 -0.000 0.000 0.281 48 L C 1.020 177.839 176.870 -0.084 0.000 1.085 48 L CA -0.373 54.377 54.840 -0.149 0.000 0.813 48 L CB 0.925 42.853 42.059 -0.219 0.000 1.157 48 L HN 0.040 nan 8.230 nan 0.000 0.436 49 H N 1.945 120.960 119.070 -0.092 0.000 2.333 49 H HA 0.046 4.601 4.556 -0.000 0.000 0.302 49 H C 0.403 175.703 175.328 -0.047 0.000 1.075 49 H CA 1.084 57.094 56.048 -0.063 0.000 1.348 49 H CB 0.194 29.904 29.762 -0.087 0.000 1.393 49 H HN 0.450 nan 8.280 nan 0.000 0.509 50 R N -0.406 120.138 120.500 0.073 0.000 2.869 50 R HA 0.371 4.711 4.340 -0.000 0.000 0.263 50 R C -1.519 174.803 176.300 0.036 0.000 1.066 50 R CA -0.995 55.072 56.100 -0.055 0.000 0.960 50 R CB 1.380 31.617 30.300 -0.104 0.000 1.221 50 R HN 0.260 nan 8.270 nan 0.000 0.474 51 Y N -2.782 117.504 120.300 -0.023 0.000 2.581 51 Y HA 0.450 5.000 4.550 -0.000 0.000 0.337 51 Y C -1.319 174.615 175.900 0.058 0.000 1.108 51 Y CA -1.711 56.382 58.100 -0.011 0.000 1.033 51 Y CB 0.661 39.086 38.460 -0.058 0.000 1.318 51 Y HN 0.552 nan 8.280 nan 0.000 0.459 52 Y N 3.072 123.426 120.300 0.089 0.000 2.537 52 Y HA 0.285 4.835 4.550 -0.000 0.000 0.339 52 Y C -0.466 175.459 175.900 0.042 0.000 1.066 52 Y CA -0.557 57.553 58.100 0.018 0.000 1.357 52 Y CB 0.690 39.144 38.460 -0.010 0.000 1.175 52 Y HN 0.704 nan 8.280 nan 0.000 0.525 53 Q N 7.332 127.037 119.800 -0.158 0.000 2.466 53 Q HA 0.256 4.596 4.340 -0.000 0.000 0.242 53 Q C 0.925 176.648 176.000 -0.462 0.000 1.046 53 Q CA -0.423 55.231 55.803 -0.249 0.000 0.841 53 Q CB 0.938 29.608 28.738 -0.113 0.000 1.193 53 Q HN 0.814 nan 8.270 nan 0.000 0.508 54 R N 1.129 121.173 120.500 -0.761 0.000 2.159 54 R HA -0.192 4.148 4.340 -0.000 0.000 0.237 54 R C 2.117 178.158 176.300 -0.431 0.000 1.131 54 R CA 1.347 56.939 56.100 -0.847 0.000 0.982 54 R CB 0.120 29.722 30.300 -1.164 0.000 0.868 54 R HN 0.606 nan 8.270 nan 0.000 0.453 55 Q N 0.953 120.584 119.800 -0.281 0.000 2.364 55 Q HA -0.132 4.208 4.340 -0.000 0.000 0.207 55 Q C 1.492 177.446 176.000 -0.077 0.000 0.970 55 Q CA 1.380 57.099 55.803 -0.139 0.000 0.888 55 Q CB -0.069 28.609 28.738 -0.100 0.000 0.951 55 Q HN 0.435 nan 8.270 nan 0.000 0.469 56 L N 0.852 122.025 121.223 -0.082 0.000 2.592 56 L HA 0.227 4.567 4.340 -0.000 0.000 0.227 56 L C 0.939 177.816 176.870 0.012 0.000 1.127 56 L CA -0.122 54.700 54.840 -0.029 0.000 0.884 56 L CB 0.331 42.371 42.059 -0.031 0.000 1.065 56 L HN -0.006 nan 8.230 nan 0.000 0.457 57 S N -0.381 115.334 115.700 0.024 0.000 2.438 57 S HA 0.192 4.662 4.470 -0.000 0.000 0.316 57 S C 1.213 175.887 174.600 0.123 0.000 1.084 57 S CA -0.441 57.821 58.200 0.104 0.000 1.107 57 S CB 1.235 64.552 63.200 0.196 0.000 0.981 57 S HN 0.310 nan 8.310 nan 0.000 0.466 58 S N 3.072 118.833 115.700 0.101 0.000 2.428 58 S HA -0.096 4.374 4.470 -0.000 0.000 0.230 58 S C 1.502 176.169 174.600 0.111 0.000 1.014 58 S CA 1.183 59.439 58.200 0.092 0.000 0.957 58 S CB -0.812 62.425 63.200 0.063 0.000 0.784 58 S HN 0.854 nan 8.310 nan 0.000 0.499 59 T N -2.017 112.615 114.554 0.130 0.000 3.144 59 T HA 0.222 4.572 4.350 -0.000 0.000 0.249 59 T C 0.160 174.954 174.700 0.158 0.000 1.089 59 T CA -0.629 61.542 62.100 0.118 0.000 0.989 59 T CB -0.778 68.149 68.868 0.098 0.000 0.992 59 T HN 0.436 nan 8.240 nan 0.000 0.540 60 Y N 2.902 123.256 120.300 0.090 0.000 2.425 60 Y HA 0.434 4.984 4.550 -0.000 0.000 0.331 60 Y C 0.136 176.082 175.900 0.077 0.000 1.157 60 Y CA -1.030 57.135 58.100 0.109 0.000 1.372 60 Y CB 0.472 38.996 38.460 0.107 0.000 1.253 60 Y HN 0.043 nan 8.280 nan 0.000 0.536 61 R N 5.025 125.107 120.500 -0.695 0.000 2.476 61 R HA 0.172 4.511 4.340 -0.000 0.000 0.305 61 R C -1.372 174.415 176.300 -0.855 0.000 0.965 61 R CA -1.004 54.743 56.100 -0.589 0.000 0.867 61 R CB 1.254 31.410 30.300 -0.239 0.000 1.176 61 R HN 0.697 nan 8.270 nan 0.000 0.447 62 D N 3.094 123.128 120.400 -0.609 0.000 2.351 62 D HA 0.059 4.699 4.640 -0.000 0.000 0.251 62 D C 0.640 176.870 176.300 -0.116 0.000 1.137 62 D CA 0.088 53.924 54.000 -0.272 0.000 0.879 62 D CB 1.324 42.127 40.800 0.007 0.000 1.181 62 D HN 0.472 nan 8.370 nan 0.000 0.448 63 L N 3.162 124.363 121.223 -0.037 0.000 2.585 63 L HA 0.167 4.506 4.340 -0.000 0.000 0.226 63 L C 0.756 177.641 176.870 0.025 0.000 1.113 63 L CA -0.061 54.778 54.840 -0.002 0.000 0.876 63 L CB 0.040 42.112 42.059 0.022 0.000 1.072 63 L HN 0.435 nan 8.230 nan 0.000 0.468 64 R N 0.888 121.413 120.500 0.043 0.000 3.264 64 R HA -0.194 4.145 4.340 -0.000 0.000 0.251 64 R C -0.211 176.117 176.300 0.046 0.000 0.971 64 R CA 0.621 56.749 56.100 0.047 0.000 0.658 64 R CB -1.543 28.776 30.300 0.032 0.000 1.095 64 R HN 0.225 nan 8.270 nan 0.000 0.443 65 K N -0.267 120.169 120.400 0.060 0.000 2.542 65 K HA 0.496 4.816 4.320 -0.000 0.000 0.259 65 K C -0.450 176.194 176.600 0.073 0.000 0.932 65 K CA -0.249 56.072 56.287 0.057 0.000 0.820 65 K CB 1.974 34.505 32.500 0.051 0.000 1.345 65 K HN 0.182 nan 8.250 nan 0.000 0.432 66 G N 1.125 109.963 108.800 0.064 0.000 2.389 66 G HA2 0.580 4.540 3.960 -0.000 0.000 0.328 66 G HA3 0.580 4.540 3.960 -0.000 0.000 0.328 66 G C -1.456 173.487 174.900 0.071 0.000 1.133 66 G CA -0.510 44.636 45.100 0.076 0.000 0.891 66 G HN 0.343 nan 8.290 nan 0.000 0.485 67 V N 2.065 122.029 119.914 0.084 0.000 2.686 67 V HA 0.686 4.806 4.120 -0.000 0.000 0.306 67 V C -1.890 174.167 176.094 -0.063 0.000 1.065 67 V CA -1.013 61.307 62.300 0.032 0.000 0.894 67 V CB 1.610 33.475 31.823 0.070 0.000 1.004 67 V HN 0.741 nan 8.190 nan 0.000 0.424 68 Y N 5.262 125.397 120.300 -0.274 0.000 2.364 68 Y HA 0.765 5.315 4.550 -0.000 0.000 0.340 68 Y C -0.764 174.759 175.900 -0.628 0.000 0.975 68 Y CA -0.525 57.326 58.100 -0.414 0.000 1.089 68 Y CB 2.055 40.363 38.460 -0.254 0.000 1.192 68 Y HN 0.474 nan 8.280 nan 0.000 0.454 69 V N 8.716 127.801 119.914 -1.381 0.000 2.419 69 V HA 0.399 4.519 4.120 -0.000 0.000 0.287 69 V C -2.504 172.760 176.094 -1.384 0.000 1.017 69 V CA -1.651 59.855 62.300 -1.322 0.000 0.844 69 V CB 1.403 32.217 31.823 -1.682 0.000 1.011 69 V HN 0.650 nan 8.190 nan 0.000 0.429 70 P HA 0.604 nan 4.420 nan 0.000 0.287 70 P C -1.664 175.290 177.300 -0.577 0.000 1.270 70 P CA -0.466 62.311 63.100 -0.538 0.000 0.844 70 P CB 1.471 33.138 31.700 -0.055 0.000 1.068 71 Y N -1.457 118.830 120.300 -0.022 0.000 2.634 71 Y HA 0.463 5.012 4.550 -0.000 0.000 0.340 71 Y C 1.079 177.007 175.900 0.048 0.000 1.058 71 Y CA -0.510 57.611 58.100 0.036 0.000 1.081 71 Y CB 1.055 39.569 38.460 0.091 0.000 1.295 71 Y HN 0.200 nan 8.280 nan 0.000 0.487 76 W N 0.579 121.563 121.300 -0.527 0.000 2.882 76 W HA 0.833 5.493 4.660 -0.000 0.000 0.345 76 W C -1.028 175.163 176.519 -0.548 0.000 1.125 76 W CA -0.696 56.340 57.345 -0.516 0.000 1.167 76 W CB 1.536 30.566 29.460 -0.716 0.000 1.431 76 W HN 1.027 nan 8.180 nan 0.000 0.543 77 E N 0.792 121.030 120.200 0.065 0.000 2.275 77 E HA 0.589 4.939 4.350 -0.000 0.000 0.270 77 E C -0.679 176.084 176.600 0.273 0.000 0.882 77 E CA -0.475 55.961 56.400 0.060 0.000 0.758 77 E CB 2.342 32.081 29.700 0.065 0.000 1.195 77 E HN 0.774 nan 8.360 nan 0.000 0.419 78 G N 2.431 111.413 108.800 0.304 0.000 2.788 78 G HA2 0.449 4.409 3.960 -0.000 0.000 0.293 78 G HA3 0.449 4.409 3.960 -0.000 0.000 0.293 78 G C -1.283 173.728 174.900 0.186 0.000 1.392 78 G CA -0.647 44.607 45.100 0.257 0.000 0.810 78 G HN 0.471 nan 8.290 nan 0.000 0.508 79 E N -0.124 120.169 120.200 0.154 0.000 2.176 79 E HA 0.433 4.783 4.350 -0.000 0.000 0.267 79 E C -0.598 176.105 176.600 0.171 0.000 0.893 79 E CA -0.470 56.016 56.400 0.143 0.000 0.761 79 E CB 2.560 32.332 29.700 0.120 0.000 1.133 79 E HN 0.230 nan 8.360 nan 0.000 0.409 80 L N 2.236 123.554 121.223 0.157 0.000 2.371 80 L HA 0.633 4.972 4.340 -0.000 0.000 0.272 80 L C 0.665 177.634 176.870 0.166 0.000 1.124 80 L CA 0.050 54.984 54.840 0.157 0.000 0.816 80 L CB 0.963 43.094 42.059 0.121 0.000 1.129 80 L HN 0.689 nan 8.230 nan 0.000 0.448 81 G N 0.315 109.220 108.800 0.174 0.000 2.550 81 G HA2 0.568 4.528 3.960 -0.000 0.000 0.293 81 G HA3 0.568 4.528 3.960 -0.000 0.000 0.293 81 G C -1.289 173.671 174.900 0.099 0.000 1.402 81 G CA -0.215 44.946 45.100 0.102 0.000 0.784 81 G HN 0.553 nan 8.290 nan 0.000 0.482 82 T N -1.789 112.758 114.554 -0.012 0.000 2.907 82 T HA 0.797 5.147 4.350 -0.000 0.000 0.292 82 T C -1.368 173.389 174.700 0.095 0.000 1.043 82 T CA -0.654 61.480 62.100 0.058 0.000 1.003 82 T CB 2.882 71.760 68.868 0.016 0.000 1.084 82 T HN 0.628 nan 8.240 nan 0.000 0.483 83 D N 0.074 120.565 120.400 0.151 0.000 2.710 83 D HA 0.270 4.910 4.640 -0.000 0.000 0.276 83 D C -0.976 175.405 176.300 0.135 0.000 1.267 83 D CA -0.661 53.447 54.000 0.180 0.000 0.772 83 D CB 1.780 42.762 40.800 0.303 0.000 1.299 83 D HN 0.675 nan 8.370 nan 0.000 0.421 84 L N 1.336 122.631 121.223 0.119 0.000 2.361 84 L HA 0.376 4.715 4.340 -0.000 0.000 0.278 84 L C -0.105 176.820 176.870 0.091 0.000 1.113 84 L CA -0.399 54.494 54.840 0.088 0.000 0.849 84 L CB 0.763 42.864 42.059 0.071 0.000 1.155 84 L HN 0.057 nan 8.230 nan 0.000 0.452 85 V N 2.501 122.473 119.914 0.096 0.000 2.628 85 V HA 0.687 4.807 4.120 -0.000 0.000 0.306 85 V C -0.072 176.073 176.094 0.086 0.000 1.045 85 V CA -0.444 61.910 62.300 0.090 0.000 0.905 85 V CB 1.973 33.864 31.823 0.112 0.000 0.997 85 V HN 0.921 nan 8.190 nan 0.000 0.436 86 S N 3.606 119.328 115.700 0.036 0.000 2.570 86 S HA 0.758 5.228 4.470 -0.000 0.000 0.270 86 S C -1.241 173.357 174.600 -0.004 0.000 1.149 86 S CA -0.805 57.416 58.200 0.035 0.000 0.837 86 S CB 1.680 64.894 63.200 0.023 0.000 1.124 86 S HN 0.483 nan 8.310 nan 0.000 0.465 87 I N 2.335 122.910 120.570 0.008 0.000 2.330 87 I HA 0.357 4.527 4.170 -0.000 0.000 0.289 87 I C -1.871 174.241 176.117 -0.009 0.000 1.001 87 I CA -2.487 58.811 61.300 -0.002 0.000 1.193 87 I CB 1.940 39.947 38.000 0.011 0.000 1.345 87 I HN 0.487 nan 8.210 nan 0.000 0.461 88 P HA -0.151 nan 4.420 nan 0.000 0.216 88 P C 0.590 177.729 177.300 -0.269 0.000 1.153 88 P CA 1.439 64.439 63.100 -0.167 0.000 0.848 88 P CB 0.108 31.675 31.700 -0.221 0.000 0.787 89 H N -0.812 118.280 119.070 0.036 0.000 2.638 89 H HA 0.483 5.039 4.556 -0.000 0.000 0.293 89 H C 0.978 176.334 175.328 0.048 0.000 1.316 89 H CA 0.080 56.154 56.048 0.045 0.000 1.099 89 H CB -0.214 29.574 29.762 0.044 0.000 1.515 89 H HN 0.127 nan 8.280 nan 0.000 0.505 90 G N 1.032 109.888 108.800 0.094 0.000 3.166 90 G HA2 0.318 4.278 3.960 -0.000 0.000 0.267 90 G HA3 0.318 4.278 3.960 -0.000 0.000 0.267 90 G C -2.634 172.308 174.900 0.071 0.000 1.256 90 G CA -1.246 43.902 45.100 0.081 0.000 0.859 90 G HN -0.051 nan 8.290 nan 0.000 0.590 91 P HA 0.129 nan 4.420 nan 0.000 0.271 91 P C -0.536 176.788 177.300 0.040 0.000 1.218 91 P CA -0.309 62.827 63.100 0.059 0.000 0.780 91 P CB 0.763 32.482 31.700 0.033 0.000 0.901 92 N N 1.160 119.887 118.700 0.044 0.000 3.193 92 N HA 0.139 4.879 4.740 -0.000 0.000 0.312 92 N C 0.059 175.582 175.510 0.022 0.000 1.261 92 N CA 0.181 53.248 53.050 0.028 0.000 1.208 92 N CB -0.138 38.368 38.487 0.031 0.000 1.471 92 N HN 0.282 nan 8.380 nan 0.000 0.548 93 V N -2.450 117.472 119.914 0.012 0.000 3.130 93 V HA 0.667 4.787 4.120 -0.000 0.000 0.310 93 V C -0.126 175.966 176.094 -0.004 0.000 1.158 93 V CA -0.661 61.638 62.300 -0.001 0.000 1.029 93 V CB 2.228 34.038 31.823 -0.022 0.000 1.057 93 V HN -0.056 nan 8.190 nan 0.000 0.436 94 T N 1.980 116.527 114.554 -0.012 0.000 2.921 94 T HA 0.741 5.091 4.350 -0.000 0.000 0.297 94 T C -0.600 174.084 174.700 -0.026 0.000 1.013 94 T CA -0.370 61.728 62.100 -0.003 0.000 0.990 94 T CB 1.524 70.399 68.868 0.011 0.000 1.023 94 T HN 1.507 nan 8.240 nan 0.000 0.447 95 V N 1.137 121.035 119.914 -0.026 0.000 2.914 95 V HA 0.715 4.835 4.120 -0.000 0.000 0.314 95 V C -0.242 175.845 176.094 -0.011 0.000 1.084 95 V CA -1.530 60.731 62.300 -0.066 0.000 0.963 95 V CB 1.918 33.625 31.823 -0.193 0.000 1.025 95 V HN 0.837 nan 8.190 nan 0.000 0.432 96 R N 2.294 122.783 120.500 -0.020 0.000 2.308 96 R HA 0.716 5.056 4.340 -0.000 0.000 0.325 96 R C -0.093 176.220 176.300 0.021 0.000 1.161 96 R CA 0.282 56.392 56.100 0.017 0.000 1.022 96 R CB 0.250 30.555 30.300 0.008 0.000 1.091 96 R HN 1.154 nan 8.270 nan 0.000 0.497 97 A N 3.954 126.824 122.820 0.084 0.000 2.330 97 A HA 0.418 4.738 4.320 -0.000 0.000 0.329 97 A C -0.691 177.009 177.584 0.192 0.000 1.135 97 A CA -1.010 51.105 52.037 0.129 0.000 0.817 97 A CB 0.917 20.060 19.000 0.239 0.000 1.269 97 A HN 0.739 nan 8.150 nan 0.000 0.469 98 N N 0.395 119.213 118.700 0.198 0.000 2.492 98 N HA 0.326 5.066 4.740 -0.000 0.000 0.262 98 N C -0.902 174.788 175.510 0.301 0.000 1.202 98 N CA 0.681 53.855 53.050 0.207 0.000 0.926 98 N CB 0.564 39.152 38.487 0.168 0.000 1.078 98 N HN 0.504 nan 8.380 nan 0.000 0.454 99 I N 0.833 121.534 120.570 0.219 0.000 2.499 99 I HA 0.310 4.480 4.170 -0.000 0.000 0.288 99 I C -0.275 175.892 176.117 0.085 0.000 1.048 99 I CA -0.978 60.388 61.300 0.109 0.000 1.062 99 I CB 1.931 39.965 38.000 0.056 0.000 1.238 99 I HN 0.374 nan 8.210 nan 0.000 0.426 100 A N 5.287 128.095 122.820 -0.021 0.000 2.366 100 A HA 0.725 5.045 4.320 -0.000 0.000 0.322 100 A C 0.420 177.954 177.584 -0.083 0.000 1.397 100 A CA -0.465 51.588 52.037 0.027 0.000 0.984 100 A CB 0.193 19.270 19.000 0.128 0.000 1.149 100 A HN 0.801 nan 8.150 nan 0.000 0.540 101 A N 3.988 126.850 122.820 0.070 0.000 2.475 101 A HA 0.455 4.774 4.320 -0.000 0.000 0.293 101 A C 0.239 177.836 177.584 0.022 0.000 1.252 101 A CA -0.167 51.923 52.037 0.089 0.000 0.920 101 A CB -0.711 18.378 19.000 0.149 0.000 1.125 101 A HN 0.764 nan 8.150 nan 0.000 0.528 102 I N 3.469 123.994 120.570 -0.075 0.000 2.581 102 I HA 0.012 4.181 4.170 -0.000 0.000 0.285 102 I C 1.637 177.783 176.117 0.047 0.000 1.129 102 I CA 0.501 61.767 61.300 -0.057 0.000 1.397 102 I CB 0.736 38.597 38.000 -0.230 0.000 1.399 102 I HN 0.816 nan 8.210 nan 0.000 0.537 103 T N 1.007 115.604 114.554 0.072 0.000 2.990 103 T HA 0.179 4.528 4.350 -0.000 0.000 0.249 103 T C 0.452 175.196 174.700 0.072 0.000 1.039 103 T CA -0.127 62.004 62.100 0.052 0.000 1.036 103 T CB 0.339 69.233 68.868 0.043 0.000 0.994 103 T HN 0.610 nan 8.240 nan 0.000 0.489 104 E N 1.106 121.368 120.200 0.102 0.000 2.291 104 E HA 0.501 4.851 4.350 -0.000 0.000 0.276 104 E C -1.629 175.042 176.600 0.118 0.000 0.896 104 E CA -0.610 55.855 56.400 0.109 0.000 0.774 104 E CB 1.849 31.603 29.700 0.089 0.000 1.227 104 E HN 0.375 nan 8.360 nan 0.000 0.413 105 S N 3.113 118.895 115.700 0.136 0.000 2.540 105 S HA 0.462 4.932 4.470 -0.000 0.000 0.275 105 S C -1.322 173.363 174.600 0.142 0.000 1.123 105 S CA -1.012 57.256 58.200 0.113 0.000 0.907 105 S CB 1.928 65.155 63.200 0.045 0.000 1.081 105 S HN 0.431 nan 8.310 nan 0.000 0.476 106 D N 1.295 121.779 120.400 0.139 0.000 2.471 106 D HA 0.314 4.954 4.640 -0.000 0.000 0.245 106 D C -0.689 175.731 176.300 0.199 0.000 1.116 106 D CA -0.241 53.853 54.000 0.158 0.000 0.853 106 D CB 0.873 41.747 40.800 0.123 0.000 1.123 106 D HN 0.775 nan 8.370 nan 0.000 0.540 107 K N 2.331 122.865 120.400 0.224 0.000 3.096 107 K HA -0.246 4.074 4.320 -0.000 0.000 0.266 107 K C 0.220 176.983 176.600 0.272 0.000 1.043 107 K CA 0.315 56.744 56.287 0.237 0.000 0.758 107 K CB -1.237 31.378 32.500 0.191 0.000 1.260 107 K HN 0.425 nan 8.250 nan 0.000 0.481 108 F N 0.044 120.039 119.950 0.075 0.000 2.479 108 F HA 0.277 4.804 4.527 -0.000 0.000 0.280 108 F C 0.579 176.399 175.800 0.033 0.000 0.982 108 F CA 0.008 58.008 58.000 -0.001 0.000 1.276 108 F CB 0.378 39.267 39.000 -0.185 0.000 1.137 108 F HN -0.035 nan 8.300 nan 0.000 0.660 109 F N 2.363 122.374 119.950 0.101 0.000 2.484 109 F HA 0.257 4.784 4.527 -0.000 0.000 0.360 109 F C 0.165 175.955 175.800 -0.016 0.000 1.101 109 F CA -0.270 57.629 58.000 -0.168 0.000 1.251 109 F CB 0.284 39.167 39.000 -0.196 0.000 1.132 109 F HN -0.239 nan 8.300 nan 0.000 0.570 110 I N 2.932 123.444 120.570 -0.097 0.000 2.331 110 I HA 0.095 4.265 4.170 -0.000 0.000 0.292 110 I C 0.036 175.921 176.117 -0.387 0.000 0.998 110 I CA -0.752 60.470 61.300 -0.131 0.000 1.267 110 I CB 0.920 38.898 38.000 -0.036 0.000 1.386 110 I HN 0.503 nan 8.210 nan 0.000 0.476 111 N N 4.890 123.118 118.700 -0.787 0.000 2.429 111 N HA 0.160 4.899 4.740 -0.000 0.000 0.271 111 N C 0.748 175.960 175.510 -0.497 0.000 1.272 111 N CA 1.370 53.720 53.050 -1.168 0.000 0.921 111 N CB 0.530 38.163 38.487 -1.425 0.000 1.128 111 N HN 0.886 nan 8.380 nan 0.000 0.481 112 G N 1.452 110.046 108.800 -0.343 0.000 2.218 112 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 112 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 112 G C 0.226 175.066 174.900 -0.099 0.000 0.994 112 G CA 0.248 45.248 45.100 -0.168 0.000 0.637 112 G HN 0.956 nan 8.290 nan 0.000 0.505 113 S N -0.259 115.329 115.700 -0.187 0.000 2.600 113 S HA 0.522 4.992 4.470 -0.000 0.000 0.265 113 S C 0.653 175.126 174.600 -0.211 0.000 1.325 113 S CA 0.707 58.774 58.200 -0.221 0.000 1.002 113 S CB 1.582 64.469 63.200 -0.522 0.000 0.921 113 S HN 0.403 nan 8.310 nan 0.000 0.554 114 N N 0.544 119.094 118.700 -0.251 0.000 2.200 114 N HA 0.239 4.978 4.740 -0.000 0.000 0.224 114 N C -0.671 174.510 175.510 -0.547 0.000 1.179 114 N CA -0.678 52.134 53.050 -0.397 0.000 0.877 114 N CB 0.333 38.633 38.487 -0.312 0.000 1.072 114 N HN 0.761 nan 8.380 nan 0.000 0.519 115 W N -0.283 120.769 121.300 -0.413 0.000 2.639 115 W HA 0.556 5.216 4.660 -0.000 0.000 0.347 115 W C -0.495 175.970 176.519 -0.089 0.000 1.067 115 W CA -0.620 56.501 57.345 -0.375 0.000 1.218 115 W CB 0.704 29.989 29.460 -0.293 0.000 1.393 115 W HN -0.113 nan 8.180 nan 0.000 0.557 116 E N 1.305 121.666 120.200 0.268 0.000 2.601 116 E HA 0.336 4.686 4.350 -0.000 0.000 0.219 116 E C 0.636 177.522 176.600 0.477 0.000 0.964 116 E CA 0.134 56.667 56.400 0.223 0.000 1.050 116 E CB 1.451 31.191 29.700 0.067 0.000 1.068 116 E HN 0.669 nan 8.360 nan 0.000 0.496 117 G N 0.044 109.177 108.800 0.555 0.000 2.619 117 G HA2 0.600 4.560 3.960 -0.000 0.000 0.305 117 G HA3 0.600 4.560 3.960 -0.000 0.000 0.305 117 G C -1.773 173.260 174.900 0.222 0.000 1.330 117 G CA -0.698 44.617 45.100 0.358 0.000 0.789 117 G HN 0.052 nan 8.290 nan 0.000 0.487 118 I N -0.386 120.242 120.570 0.097 0.000 2.607 118 I HA 0.622 4.792 4.170 -0.000 0.000 0.290 118 I C -1.744 174.468 176.117 0.159 0.000 1.129 118 I CA -1.068 60.274 61.300 0.070 0.000 1.042 118 I CB 2.040 40.116 38.000 0.126 0.000 1.242 118 I HN 0.467 nan 8.210 nan 0.000 0.421 119 L N 8.026 129.322 121.223 0.122 0.000 2.283 119 L HA 0.639 4.978 4.340 -0.000 0.000 0.281 119 L C 0.147 177.048 176.870 0.051 0.000 1.033 119 L CA -0.026 54.886 54.840 0.118 0.000 0.848 119 L CB 0.975 42.986 42.059 -0.081 0.000 1.226 119 L HN 0.659 nan 8.230 nan 0.000 0.429 120 G N 5.193 114.068 108.800 0.125 0.000 2.372 120 G HA2 0.341 4.301 3.960 -0.000 0.000 0.286 120 G HA3 0.341 4.301 3.960 -0.000 0.000 0.286 120 G C 0.505 175.432 174.900 0.045 0.000 1.153 120 G CA -0.349 44.808 45.100 0.095 0.000 0.985 120 G HN 0.739 nan 8.290 nan 0.000 0.429 121 L N 1.986 123.193 121.223 -0.027 0.000 2.607 121 L HA 0.247 4.587 4.340 -0.000 0.000 0.228 121 L C 1.945 178.806 176.870 -0.015 0.000 1.123 121 L CA -0.110 54.664 54.840 -0.110 0.000 0.890 121 L CB -0.043 41.766 42.059 -0.417 0.000 1.103 121 L HN 0.573 nan 8.230 nan 0.000 0.468 122 A N -0.814 121.997 122.820 -0.014 0.000 2.267 122 A HA 0.348 4.667 4.320 -0.000 0.000 0.271 122 A C -0.629 176.761 177.584 -0.323 0.000 1.131 122 A CA -0.172 51.700 52.037 -0.275 0.000 0.818 122 A CB 0.017 18.931 19.000 -0.143 0.000 1.118 122 A HN 0.094 nan 8.150 nan 0.000 0.501 123 Y N -1.226 118.957 120.300 -0.194 0.000 2.298 123 Y HA 0.374 4.924 4.550 -0.000 0.000 0.329 123 Y C 1.723 177.606 175.900 -0.029 0.000 1.293 123 Y CA 0.388 58.441 58.100 -0.078 0.000 1.388 123 Y CB 0.686 39.105 38.460 -0.069 0.000 1.309 123 Y HN 0.699 nan 8.280 nan 0.000 0.544 124 A N 0.555 123.486 122.820 0.186 0.000 1.986 124 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 124 A C 1.989 179.625 177.584 0.087 0.000 1.171 124 A CA 2.019 54.123 52.037 0.113 0.000 0.640 124 A CB -0.685 18.377 19.000 0.104 0.000 0.811 124 A HN 0.937 nan 8.150 nan 0.000 0.451 125 E N -0.245 120.017 120.200 0.104 0.000 2.209 125 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 125 E C 1.440 178.083 176.600 0.071 0.000 0.993 125 E CA 1.450 57.902 56.400 0.087 0.000 0.819 125 E CB -0.191 29.576 29.700 0.111 0.000 0.745 125 E HN 0.880 nan 8.360 nan 0.000 0.477 126 I N -3.000 117.581 120.570 0.017 0.000 3.976 126 I HA 0.362 4.532 4.170 -0.000 0.000 0.337 126 I C 0.472 176.571 176.117 -0.028 0.000 1.359 126 I CA -0.556 60.706 61.300 -0.062 0.000 1.098 126 I CB 0.683 38.478 38.000 -0.342 0.000 1.027 126 I HN -0.176 nan 8.210 nan 0.000 0.394 127 A N 1.974 124.803 122.820 0.016 0.000 2.388 127 A HA 0.603 4.922 4.320 -0.000 0.000 0.257 127 A C 0.109 177.710 177.584 0.029 0.000 1.095 127 A CA -0.367 51.695 52.037 0.042 0.000 0.791 127 A CB 0.373 19.414 19.000 0.069 0.000 1.029 127 A HN 0.295 nan 8.150 nan 0.000 0.489 128 R N 2.108 122.621 120.500 0.021 0.000 2.486 128 R HA 0.379 4.719 4.340 -0.000 0.000 0.286 128 R C -2.190 174.122 176.300 0.019 0.000 0.999 128 R CA -2.291 53.802 56.100 -0.012 0.000 0.993 128 R CB 0.540 30.781 30.300 -0.098 0.000 1.084 128 R HN 0.450 nan 8.270 nan 0.000 0.487 129 P HA -0.027 nan 4.420 nan 0.000 0.221 129 P C -0.499 176.805 177.300 0.007 0.000 1.155 129 P CA 0.947 64.046 63.100 -0.001 0.000 0.812 129 P CB 0.356 32.059 31.700 0.006 0.000 0.801 130 D N -2.289 118.122 120.400 0.020 0.000 2.592 130 D HA 0.087 4.727 4.640 -0.000 0.000 0.263 130 D C 0.113 176.432 176.300 0.032 0.000 1.132 130 D CA -0.733 53.280 54.000 0.022 0.000 0.996 130 D CB -0.195 40.615 40.800 0.017 0.000 1.442 130 D HN -0.201 nan 8.370 nan 0.000 0.486 131 D N -0.825 119.594 120.400 0.032 0.000 2.392 131 D HA -0.143 4.496 4.640 -0.000 0.000 0.228 131 D C 1.113 177.437 176.300 0.041 0.000 1.003 131 D CA 0.822 54.846 54.000 0.040 0.000 0.917 131 D CB -0.446 40.376 40.800 0.036 0.000 0.890 131 D HN 0.283 nan 8.370 nan 0.000 0.532 132 S N -0.592 115.130 115.700 0.035 0.000 2.527 132 S HA 0.007 4.477 4.470 -0.000 0.000 0.222 132 S C 0.818 175.443 174.600 0.042 0.000 0.985 132 S CA -0.618 57.602 58.200 0.034 0.000 0.921 132 S CB -0.420 62.795 63.200 0.026 0.000 0.772 132 S HN 0.204 nan 8.310 nan 0.000 0.529 133 L N 3.088 124.343 121.223 0.052 0.000 2.312 133 L HA 0.400 4.740 4.340 -0.000 0.000 0.287 133 L C 0.108 177.024 176.870 0.077 0.000 1.091 133 L CA -0.218 54.663 54.840 0.067 0.000 0.846 133 L CB 0.426 42.533 42.059 0.079 0.000 1.219 133 L HN 0.225 nan 8.230 nan 0.000 0.439 134 E N 6.654 126.896 120.200 0.069 0.000 2.493 134 E HA 0.086 4.436 4.350 -0.000 0.000 0.255 134 E C -2.136 174.519 176.600 0.093 0.000 0.999 134 E CA -1.432 55.008 56.400 0.066 0.000 0.934 134 E CB 0.551 30.274 29.700 0.038 0.000 0.940 134 E HN 0.442 nan 8.360 nan 0.000 0.473 135 P HA -0.039 nan 4.420 nan 0.000 0.272 135 P C 0.033 177.412 177.300 0.131 0.000 1.230 135 P CA -0.187 62.996 63.100 0.138 0.000 0.788 135 P CB 0.405 32.173 31.700 0.112 0.000 0.949 136 F N 1.687 121.649 119.950 0.021 0.000 2.065 136 F HA -0.248 4.278 4.527 -0.000 0.000 0.298 136 F C 1.995 177.753 175.800 -0.070 0.000 1.112 136 F CA 1.604 59.556 58.000 -0.080 0.000 1.212 136 F CB -0.827 38.027 39.000 -0.243 0.000 0.975 136 F HN 0.205 nan 8.300 nan 0.000 0.476 137 F N 1.326 121.167 119.950 -0.180 0.000 2.171 137 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 137 F C 2.021 177.681 175.800 -0.234 0.000 1.090 137 F CA 2.076 59.913 58.000 -0.271 0.000 1.293 137 F CB -0.616 38.312 39.000 -0.119 0.000 1.013 137 F HN 0.009 nan 8.300 nan 0.000 0.486 138 D N -0.755 119.665 120.400 0.035 0.000 2.123 138 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 138 D C 2.391 178.611 176.300 -0.134 0.000 0.992 138 D CA 1.706 55.708 54.000 0.003 0.000 0.833 138 D CB -0.382 40.452 40.800 0.057 0.000 0.954 138 D HN 0.164 nan 8.370 nan 0.000 0.455 139 S N 0.160 115.733 115.700 -0.212 0.000 2.368 139 S HA -0.114 4.355 4.470 -0.000 0.000 0.225 139 S C 1.805 176.179 174.600 -0.376 0.000 1.030 139 S CA 0.345 58.393 58.200 -0.254 0.000 0.999 139 S CB -0.305 62.752 63.200 -0.238 0.000 0.844 139 S HN 0.179 nan 8.310 nan 0.000 0.459 140 L N 2.058 122.906 121.223 -0.625 0.000 2.042 140 L HA -0.057 4.282 4.340 -0.000 0.000 0.210 140 L C 2.168 178.753 176.870 -0.476 0.000 1.076 140 L CA 1.596 56.028 54.840 -0.679 0.000 0.749 140 L CB -0.630 40.800 42.059 -1.049 0.000 0.893 140 L HN 0.135 nan 8.230 nan 0.000 0.432 141 V N -0.438 119.215 119.914 -0.435 0.000 2.358 141 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 141 V C 2.579 178.557 176.094 -0.192 0.000 1.047 141 V CA 1.955 64.096 62.300 -0.264 0.000 1.035 141 V CB -0.706 31.037 31.823 -0.132 0.000 0.658 141 V HN 0.435 nan 8.190 nan 0.000 0.452 142 K N -0.240 120.057 120.400 -0.173 0.000 2.057 142 K HA -0.175 4.144 4.320 -0.000 0.000 0.206 142 K C 2.135 178.635 176.600 -0.168 0.000 1.050 142 K CA 1.506 57.711 56.287 -0.137 0.000 0.935 142 K CB -0.121 32.318 32.500 -0.102 0.000 0.715 142 K HN 0.513 nan 8.250 nan 0.000 0.439 143 Q N -0.105 119.580 119.800 -0.192 0.000 2.392 143 Q HA 0.000 4.340 4.340 -0.000 0.000 0.203 143 Q C 0.431 176.309 176.000 -0.204 0.000 0.917 143 Q CA 0.512 56.209 55.803 -0.176 0.000 0.939 143 Q CB 0.913 29.559 28.738 -0.152 0.000 1.063 143 Q HN 0.318 nan 8.270 nan 0.000 0.516 144 T N -3.919 110.487 114.554 -0.248 0.000 2.742 144 T HA 0.267 4.616 4.350 -0.000 0.000 0.282 144 T C 0.089 174.585 174.700 -0.340 0.000 1.025 144 T CA -0.837 61.118 62.100 -0.241 0.000 1.020 144 T CB 0.931 69.712 68.868 -0.144 0.000 1.317 144 T HN 0.033 nan 8.240 nan 0.000 0.538 145 H N -0.365 118.676 119.070 -0.048 0.000 2.524 145 H HA 0.385 4.940 4.556 -0.000 0.000 0.299 145 H C -0.050 175.267 175.328 -0.019 0.000 1.074 145 H CA -0.121 55.912 56.048 -0.025 0.000 1.115 145 H CB 0.031 29.790 29.762 -0.005 0.000 1.522 145 H HN 0.236 nan 8.280 nan 0.000 0.543 146 V N 3.927 123.842 119.914 0.002 0.000 2.470 146 V HA 0.066 4.185 4.120 -0.000 0.000 0.276 146 V C -1.777 174.313 176.094 -0.007 0.000 1.040 146 V CA -1.301 60.987 62.300 -0.019 0.000 1.008 146 V CB 0.866 32.615 31.823 -0.124 0.000 0.990 146 V HN 0.177 nan 8.190 nan 0.000 0.477 147 P HA 0.047 nan 4.420 nan 0.000 0.268 147 P C -0.057 177.331 177.300 0.148 0.000 1.205 147 P CA -0.233 62.923 63.100 0.092 0.000 0.771 147 P CB 0.282 32.047 31.700 0.108 0.000 0.858 148 N N 3.054 121.859 118.700 0.175 0.000 2.892 148 N HA 0.146 4.886 4.740 -0.000 0.000 0.300 148 N C -0.968 174.746 175.510 0.339 0.000 1.211 148 N CA 0.423 53.663 53.050 0.317 0.000 1.158 148 N CB -1.203 37.426 38.487 0.238 0.000 1.455 148 N HN 0.347 nan 8.380 nan 0.000 0.524 149 L N 2.170 123.646 121.223 0.421 0.000 2.591 149 L HA 0.550 4.889 4.340 -0.000 0.000 0.257 149 L C -1.780 175.281 176.870 0.317 0.000 0.935 149 L CA -0.918 54.053 54.840 0.218 0.000 0.873 149 L CB 0.982 43.105 42.059 0.106 0.000 1.397 149 L HN 0.169 nan 8.230 nan 0.000 0.414 150 F N 1.684 121.598 119.950 -0.060 0.000 2.626 150 F HA 0.919 5.446 4.527 -0.000 0.000 0.311 150 F C -1.046 174.690 175.800 -0.107 0.000 1.088 150 F CA -0.523 57.422 58.000 -0.092 0.000 0.949 150 F CB 1.806 40.691 39.000 -0.191 0.000 1.322 150 F HN 0.434 nan 8.300 nan 0.000 0.461 151 S N 2.208 117.883 115.700 -0.041 0.000 2.548 151 S HA 0.864 5.333 4.470 -0.000 0.000 0.286 151 S C -1.535 173.030 174.600 -0.057 0.000 1.098 151 S CA -0.843 57.220 58.200 -0.229 0.000 0.930 151 S CB 1.842 64.795 63.200 -0.412 0.000 1.070 151 S HN 0.862 nan 8.310 nan 0.000 0.480 152 L N 1.998 123.137 121.223 -0.141 0.000 2.356 152 L HA 0.561 4.901 4.340 -0.000 0.000 0.277 152 L C -0.316 176.557 176.870 0.005 0.000 0.996 152 L CA -0.427 54.400 54.840 -0.023 0.000 0.822 152 L CB 1.983 44.041 42.059 -0.001 0.000 1.256 152 L HN 0.749 nan 8.230 nan 0.000 0.413 153 Q N 4.945 124.824 119.800 0.131 0.000 2.456 153 Q HA 0.472 4.812 4.340 -0.000 0.000 0.252 153 Q C -1.511 174.481 176.000 -0.013 0.000 1.042 153 Q CA -0.541 55.371 55.803 0.181 0.000 0.766 153 Q CB 1.173 30.078 28.738 0.279 0.000 1.196 153 Q HN 0.630 nan 8.270 nan 0.000 0.504 154 L N 3.002 124.157 121.223 -0.114 0.000 2.312 154 L HA 0.535 4.874 4.340 -0.000 0.000 0.281 154 L C -0.487 176.362 176.870 -0.036 0.000 1.070 154 L CA -0.748 53.909 54.840 -0.305 0.000 0.805 154 L CB 1.220 42.934 42.059 -0.574 0.000 1.174 154 L HN 0.628 nan 8.230 nan 0.000 0.434 155 c N 1.783 120.438 118.600 0.092 0.000 2.563 155 c HA 0.685 5.255 4.570 -0.000 0.000 0.314 155 c C 0.977 175.172 174.090 0.176 0.000 1.199 155 c CA -0.920 55.483 56.329 0.122 0.000 1.564 155 c CB 1.180 43.740 42.510 0.083 0.000 2.173 155 c HN 0.960 nan 8.230 nan 0.000 0.485 170 V N 0.446 120.294 119.914 -0.109 0.000 2.971 170 V HA 0.924 5.044 4.120 -0.000 0.000 0.309 170 V C 0.441 176.472 176.094 -0.104 0.000 1.130 170 V CA 0.403 62.627 62.300 -0.126 0.000 0.964 170 V CB 2.197 33.865 31.823 -0.258 0.000 1.029 170 V HN 1.596 nan 8.190 nan 0.000 0.427 171 G N 1.022 109.842 108.800 0.033 0.000 2.733 171 G HA2 0.923 4.882 3.960 -0.000 0.000 0.288 171 G HA3 0.923 4.882 3.960 -0.000 0.000 0.288 171 G C -0.466 174.565 174.900 0.217 0.000 1.373 171 G CA -0.223 44.926 45.100 0.082 0.000 0.895 171 G HN 1.425 nan 8.290 nan 0.000 0.479 172 G N -1.430 107.442 108.800 0.119 0.000 2.320 172 G HA2 0.558 4.518 3.960 -0.000 0.000 0.296 172 G HA3 0.558 4.518 3.960 -0.000 0.000 0.296 172 G C -1.387 173.527 174.900 0.024 0.000 1.306 172 G CA -0.143 44.990 45.100 0.056 0.000 0.836 172 G HN 1.166 nan 8.290 nan 0.000 0.517 173 S N -0.224 115.487 115.700 0.018 0.000 2.571 173 S HA 0.651 5.121 4.470 -0.000 0.000 0.284 173 S C -0.503 174.130 174.600 0.056 0.000 1.128 173 S CA -0.500 57.728 58.200 0.046 0.000 0.970 173 S CB 1.659 64.905 63.200 0.077 0.000 1.039 173 S HN 0.793 nan 8.310 nan 0.000 0.485 174 M N 4.841 124.471 119.600 0.051 0.000 2.043 174 M HA 0.483 4.962 4.480 -0.000 0.000 0.322 174 M C -1.669 174.676 176.300 0.075 0.000 0.962 174 M CA -0.687 54.650 55.300 0.061 0.000 0.927 174 M CB 0.216 32.827 32.600 0.018 0.000 1.466 174 M HN 0.451 nan 8.290 nan 0.000 0.412 175 I N 6.719 127.342 120.570 0.088 0.000 2.291 175 I HA 0.232 4.402 4.170 -0.000 0.000 0.292 175 I C -0.364 175.742 176.117 -0.018 0.000 1.064 175 I CA -0.472 60.828 61.300 0.001 0.000 1.269 175 I CB 0.051 38.047 38.000 -0.005 0.000 1.418 175 I HN 0.671 nan 8.210 nan 0.000 0.485 176 I N 5.193 125.750 120.570 -0.022 0.000 2.352 176 I HA 0.399 4.568 4.170 -0.000 0.000 0.290 176 I C 1.219 177.304 176.117 -0.054 0.000 1.036 176 I CA 0.433 61.784 61.300 0.085 0.000 1.336 176 I CB 0.855 38.919 38.000 0.108 0.000 1.407 176 I HN 0.840 nan 8.210 nan 0.000 0.497 177 G N 3.472 112.314 108.800 0.069 0.000 2.132 177 G HA2 0.072 4.032 3.960 -0.000 0.000 0.234 177 G HA3 0.072 4.032 3.960 -0.000 0.000 0.234 177 G C 0.247 175.083 174.900 -0.105 0.000 0.989 177 G CA -0.209 44.899 45.100 0.013 0.000 0.676 177 G HN 1.299 nan 8.290 nan 0.000 0.522 178 G N -1.382 107.288 108.800 -0.217 0.000 2.340 178 G HA2 0.574 4.534 3.960 -0.000 0.000 0.299 178 G HA3 0.574 4.534 3.960 -0.000 0.000 0.299 178 G C -1.472 173.358 174.900 -0.116 0.000 1.291 178 G CA -0.405 44.589 45.100 -0.176 0.000 0.841 178 G HN 0.792 nan 8.290 nan 0.000 0.500 179 I N 0.949 121.571 120.570 0.085 0.000 2.433 179 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 179 I C -1.122 175.066 176.117 0.118 0.000 1.001 179 I CA -0.677 60.687 61.300 0.107 0.000 1.119 179 I CB 2.174 40.194 38.000 0.032 0.000 1.289 179 I HN 0.344 nan 8.210 nan 0.000 0.438 180 D N 5.420 125.932 120.400 0.188 0.000 2.359 180 D HA 0.159 4.799 4.640 -0.000 0.000 0.230 180 D C 0.821 177.079 176.300 -0.070 0.000 1.118 180 D CA -0.185 53.877 54.000 0.104 0.000 0.844 180 D CB 0.830 41.733 40.800 0.171 0.000 1.059 180 D HN 0.510 nan 8.370 nan 0.000 0.493 181 H N 1.591 120.724 119.070 0.105 0.000 2.547 181 H HA -0.054 4.502 4.556 -0.000 0.000 0.272 181 H C 1.758 176.868 175.328 -0.364 0.000 0.989 181 H CA 0.662 56.668 56.048 -0.070 0.000 1.214 181 H CB 0.342 30.080 29.762 -0.041 0.000 1.389 181 H HN 0.371 nan 8.280 nan 0.000 0.577 182 S N 0.312 115.936 115.700 -0.126 0.000 2.527 182 S HA 0.034 4.504 4.470 -0.000 0.000 0.222 182 S C 1.799 176.280 174.600 -0.198 0.000 0.985 182 S CA 0.005 58.112 58.200 -0.155 0.000 0.921 182 S CB -0.356 62.799 63.200 -0.074 0.000 0.772 182 S HN 0.262 nan 8.310 nan 0.000 0.529 183 L N 0.727 121.781 121.223 -0.282 0.000 2.591 183 L HA 0.308 4.648 4.340 -0.000 0.000 0.228 183 L C 0.224 176.927 176.870 -0.278 0.000 1.133 183 L CA -0.149 54.482 54.840 -0.348 0.000 0.880 183 L CB -0.378 41.317 42.059 -0.606 0.000 1.033 183 L HN 0.597 nan 8.230 nan 0.000 0.450 184 Y N -2.500 117.627 120.300 -0.288 0.000 2.597 184 Y HA 0.619 5.169 4.550 -0.000 0.000 0.340 184 Y C -0.339 175.557 175.900 -0.007 0.000 1.097 184 Y CA -1.535 56.509 58.100 -0.094 0.000 1.037 184 Y CB 0.868 39.322 38.460 -0.009 0.000 1.305 184 Y HN -0.080 nan 8.280 nan 0.000 0.463 185 T N -0.438 114.193 114.554 0.128 0.000 2.940 185 T HA 0.783 5.133 4.350 -0.000 0.000 0.288 185 T C 0.558 175.392 174.700 0.223 0.000 1.033 185 T CA -0.099 62.034 62.100 0.055 0.000 1.033 185 T CB 1.072 69.969 68.868 0.049 0.000 1.079 185 T HN 2.263 nan 8.240 nan 0.000 0.496 186 G N 1.250 110.139 108.800 0.149 0.000 2.527 186 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.268 186 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.268 186 G C 0.006 175.081 174.900 0.292 0.000 1.175 186 G CA 0.058 45.275 45.100 0.196 0.000 0.962 186 G HN 1.561 nan 8.290 nan 0.000 0.560 187 S N -1.125 114.735 115.700 0.267 0.000 2.566 187 S HA 0.722 5.192 4.470 -0.000 0.000 0.298 187 S C -0.123 174.500 174.600 0.039 0.000 1.083 187 S CA -0.566 57.727 58.200 0.156 0.000 0.978 187 S CB 1.218 64.436 63.200 0.031 0.000 1.073 187 S HN 0.827 nan 8.310 nan 0.000 0.491 188 L N 3.478 124.586 121.223 -0.190 0.000 2.319 188 L HA 0.402 4.742 4.340 -0.000 0.000 0.280 188 L C -1.099 175.426 176.870 -0.575 0.000 1.099 188 L CA -0.279 54.313 54.840 -0.412 0.000 0.828 188 L CB 0.548 42.270 42.059 -0.560 0.000 1.150 188 L HN 0.669 nan 8.230 nan 0.000 0.442 189 W N 3.049 123.955 121.300 -0.656 0.000 2.475 189 W HA 0.426 5.086 4.660 -0.000 0.000 0.317 189 W C -0.684 175.233 176.519 -1.002 0.000 1.046 189 W CA -0.293 56.504 57.345 -0.914 0.000 1.215 189 W CB 0.955 29.538 29.460 -1.462 0.000 1.335 189 W HN 0.216 nan 8.180 nan 0.000 0.471 190 Y N 1.690 121.800 120.300 -0.316 0.000 2.342 190 Y HA 0.472 5.022 4.550 -0.000 0.000 0.334 190 Y C 0.702 176.758 175.900 0.259 0.000 1.067 190 Y CA -0.659 57.414 58.100 -0.044 0.000 1.128 190 Y CB 1.829 40.247 38.460 -0.070 0.000 1.200 190 Y HN 0.176 nan 8.280 nan 0.000 0.464 191 T N 5.097 119.967 114.554 0.526 0.000 2.855 191 T HA 0.522 4.872 4.350 -0.000 0.000 0.281 191 T C -2.853 172.021 174.700 0.290 0.000 1.007 191 T CA -2.709 59.670 62.100 0.465 0.000 1.009 191 T CB 0.979 70.086 68.868 0.399 0.000 0.983 191 T HN 0.264 nan 8.240 nan 0.000 0.455 192 P HA 0.365 nan 4.420 nan 0.000 0.279 192 P C -0.499 176.903 177.300 0.169 0.000 1.239 192 P CA -0.408 62.793 63.100 0.168 0.000 0.789 192 P CB 0.311 32.090 31.700 0.133 0.000 0.933 193 I N 3.240 123.910 120.570 0.167 0.000 2.436 193 I HA 0.130 4.300 4.170 -0.000 0.000 0.289 193 I C 2.053 178.256 176.117 0.144 0.000 1.083 193 I CA 0.004 61.419 61.300 0.193 0.000 1.372 193 I CB 0.375 38.514 38.000 0.233 0.000 1.408 193 I HN 0.429 nan 8.210 nan 0.000 0.516 194 R N 5.454 126.054 120.500 0.166 0.000 2.066 194 R HA 0.046 4.386 4.340 -0.000 0.000 0.232 194 R C 0.810 177.163 176.300 0.090 0.000 1.131 194 R CA 1.259 57.438 56.100 0.132 0.000 0.955 194 R CB 0.302 30.700 30.300 0.163 0.000 0.851 194 R HN 0.582 nan 8.270 nan 0.000 0.432 195 R N -0.011 120.574 120.500 0.142 0.000 2.651 195 R HA 0.129 4.469 4.340 -0.000 0.000 0.278 195 R C -1.449 174.906 176.300 0.092 0.000 1.010 195 R CA -0.474 55.645 56.100 0.031 0.000 0.896 195 R CB 1.793 32.006 30.300 -0.145 0.000 1.211 195 R HN 0.048 nan 8.270 nan 0.000 0.456 196 E N 4.397 124.481 120.200 -0.193 0.000 1.852 196 E HA 0.050 4.400 4.350 -0.000 0.000 0.276 196 E C -0.194 176.307 176.600 -0.165 0.000 1.163 196 E CA 0.020 56.022 56.400 -0.664 0.000 1.117 196 E CB 0.244 29.299 29.700 -1.076 0.000 1.124 196 E HN 0.442 nan 8.360 nan 0.000 0.458 197 W N 1.227 122.442 121.300 -0.142 0.000 4.526 197 W HA 0.193 4.853 4.660 -0.000 0.000 0.175 197 W C -0.254 176.233 176.519 -0.055 0.000 3.132 197 W CA -0.282 57.031 57.345 -0.054 0.000 1.746 197 W CB -0.627 28.786 29.460 -0.079 0.000 1.875 197 W HN -0.015 nan 8.180 nan 0.000 0.544 198 Y N 0.725 120.774 120.300 -0.418 0.000 2.295 198 Y HA 0.249 4.798 4.550 -0.000 0.000 0.331 198 Y C -0.007 175.843 175.900 -0.084 0.000 1.311 198 Y CA -0.376 57.510 58.100 -0.356 0.000 1.430 198 Y CB 0.045 38.132 38.460 -0.622 0.000 1.339 198 Y HN -0.135 nan 8.280 nan 0.000 0.552 199 Y N 0.918 121.420 120.300 0.335 0.000 2.532 199 Y HA 0.063 4.613 4.550 -0.000 0.000 0.337 199 Y C 0.536 176.586 175.900 0.250 0.000 1.274 199 Y CA -0.181 58.133 58.100 0.358 0.000 1.817 199 Y CB -0.460 38.241 38.460 0.402 0.000 1.769 199 Y HN 0.437 nan 8.280 nan 0.000 0.447 200 E N 2.640 123.049 120.200 0.349 0.000 2.289 200 E HA 0.407 4.756 4.350 -0.000 0.000 0.278 200 E C -0.659 176.094 176.600 0.255 0.000 1.032 200 E CA -0.494 56.079 56.400 0.288 0.000 0.854 200 E CB 0.826 30.785 29.700 0.433 0.000 1.046 200 E HN 0.420 nan 8.360 nan 0.000 0.409 201 V N 1.516 121.546 119.914 0.193 0.000 3.155 201 V HA 0.638 4.757 4.120 -0.000 0.000 0.313 201 V C -0.457 175.708 176.094 0.119 0.000 1.162 201 V CA -1.002 61.391 62.300 0.155 0.000 1.048 201 V CB 1.637 33.540 31.823 0.134 0.000 1.092 201 V HN 0.581 nan 8.190 nan 0.000 0.447 202 I N 1.636 122.258 120.570 0.087 0.000 2.410 202 I HA 0.467 4.636 4.170 -0.000 0.000 0.286 202 I C -0.957 175.168 176.117 0.014 0.000 1.009 202 I CA -0.412 60.932 61.300 0.073 0.000 1.111 202 I CB 1.688 39.741 38.000 0.087 0.000 1.262 202 I HN 0.473 nan 8.210 nan 0.000 0.443 203 I N 6.862 127.441 120.570 0.016 0.000 2.352 203 I HA 0.050 4.220 4.170 -0.000 0.000 0.290 203 I C 1.128 177.271 176.117 0.043 0.000 1.036 203 I CA 0.174 61.444 61.300 -0.050 0.000 1.336 203 I CB 1.427 39.365 38.000 -0.103 0.000 1.407 203 I HN 0.493 nan 8.210 nan 0.000 0.497 204 V N 3.075 122.981 119.914 -0.013 0.000 3.661 204 V HA 0.458 4.578 4.120 -0.000 0.000 0.271 204 V C 0.651 176.766 176.094 0.036 0.000 1.315 204 V CA -0.034 62.297 62.300 0.053 0.000 1.072 204 V CB -0.378 31.452 31.823 0.011 0.000 0.830 204 V HN 0.770 nan 8.190 nan 0.000 0.443 205 R N -0.502 119.920 120.500 -0.130 0.000 2.644 205 R HA 0.644 4.983 4.340 -0.000 0.000 0.257 205 R C -2.380 173.692 176.300 -0.380 0.000 1.082 205 R CA -0.368 55.587 56.100 -0.241 0.000 0.927 205 R CB 2.584 32.586 30.300 -0.497 0.000 1.258 205 R HN 0.071 nan 8.270 nan 0.000 0.459 206 V N 2.902 122.541 119.914 -0.459 0.000 2.588 206 V HA 0.480 4.600 4.120 -0.000 0.000 0.304 206 V C -0.633 175.389 176.094 -0.120 0.000 1.042 206 V CA -0.700 61.397 62.300 -0.338 0.000 0.877 206 V CB 1.899 33.416 31.823 -0.509 0.000 0.996 206 V HN 0.742 nan 8.190 nan 0.000 0.425 207 E N 4.297 124.467 120.200 -0.050 0.000 2.238 207 E HA 0.574 4.924 4.350 -0.000 0.000 0.267 207 E C -1.422 175.168 176.600 -0.017 0.000 0.887 207 E CA -0.844 55.548 56.400 -0.013 0.000 0.769 207 E CB 2.588 32.315 29.700 0.045 0.000 1.187 207 E HN 0.388 nan 8.360 nan 0.000 0.416 208 I N 3.461 124.027 120.570 -0.007 0.000 2.354 208 I HA 0.155 4.325 4.170 -0.000 0.000 0.286 208 I C 0.449 176.584 176.117 0.029 0.000 1.007 208 I CA -0.464 60.840 61.300 0.007 0.000 1.167 208 I CB 0.587 38.582 38.000 -0.008 0.000 1.320 208 I HN 0.641 nan 8.210 nan 0.000 0.458 209 N N 4.925 123.657 118.700 0.053 0.000 2.713 209 N HA -0.232 4.508 4.740 -0.000 0.000 0.251 209 N C 1.031 176.569 175.510 0.047 0.000 1.117 209 N CA 1.590 54.679 53.050 0.065 0.000 0.770 209 N CB -0.497 38.034 38.487 0.074 0.000 1.137 209 N HN 1.106 nan 8.380 nan 0.000 0.566 210 G N -2.011 106.810 108.800 0.036 0.000 2.481 210 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.200 210 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.200 210 G C -0.265 174.647 174.900 0.019 0.000 1.012 210 G CA 0.136 45.256 45.100 0.033 0.000 0.676 210 G HN 0.436 nan 8.290 nan 0.000 0.488 211 Q N 1.456 121.262 119.800 0.011 0.000 2.288 211 Q HA 0.405 4.745 4.340 -0.000 0.000 0.258 211 Q C -0.586 175.407 176.000 -0.011 0.000 0.957 211 Q CA -0.387 55.415 55.803 -0.002 0.000 0.919 211 Q CB 1.406 30.142 28.738 -0.004 0.000 1.185 211 Q HN 0.382 nan 8.270 nan 0.000 0.408 212 D N 1.813 122.198 120.400 -0.024 0.000 2.423 212 D HA -0.038 4.602 4.640 -0.000 0.000 0.238 212 D C 0.649 176.943 176.300 -0.010 0.000 1.142 212 D CA 0.241 54.221 54.000 -0.034 0.000 0.884 212 D CB 0.857 41.623 40.800 -0.057 0.000 1.199 212 D HN 0.493 nan 8.370 nan 0.000 0.438 213 L N 2.266 123.499 121.223 0.018 0.000 2.552 213 L HA 0.032 4.372 4.340 -0.000 0.000 0.227 213 L C 0.844 177.733 176.870 0.031 0.000 1.146 213 L CA 0.245 55.108 54.840 0.039 0.000 0.858 213 L CB -0.394 41.725 42.059 0.099 0.000 0.969 213 L HN 0.615 nan 8.230 nan 0.000 0.451 214 K N 0.563 120.976 120.400 0.022 0.000 3.148 214 K HA -0.189 4.130 4.320 -0.000 0.000 0.267 214 K C -0.385 176.202 176.600 -0.021 0.000 0.996 214 K CA 0.648 56.931 56.287 -0.006 0.000 0.737 214 K CB -1.338 31.151 32.500 -0.018 0.000 1.308 214 K HN 0.313 nan 8.250 nan 0.000 0.470 215 M N 0.022 119.609 119.600 -0.022 0.000 2.662 215 M HA 0.230 4.710 4.480 -0.000 0.000 0.310 215 M C 0.065 176.244 176.300 -0.203 0.000 1.204 215 M CA -1.035 54.191 55.300 -0.125 0.000 0.891 215 M CB 1.479 33.969 32.600 -0.184 0.000 1.732 215 M HN -0.002 nan 8.290 nan 0.000 0.467 216 D N 1.015 121.283 120.400 -0.220 0.000 2.455 216 D HA 0.007 4.647 4.640 -0.000 0.000 0.241 216 D C 0.994 177.065 176.300 -0.381 0.000 1.138 216 D CA -0.113 53.761 54.000 -0.210 0.000 0.877 216 D CB 1.156 41.867 40.800 -0.149 0.000 1.187 216 D HN 0.858 nan 8.370 nan 0.000 0.451 217 c N 3.329 121.789 118.600 -0.234 0.000 2.472 217 c HA 0.113 4.683 4.570 -0.000 0.000 0.278 217 c C 2.074 176.089 174.090 -0.124 0.000 1.447 217 c CA -0.223 55.996 56.329 -0.184 0.000 1.773 217 c CB -0.671 41.891 42.510 0.087 0.000 1.793 217 c HN 0.592 nan 8.230 nan 0.000 0.544 218 K N 0.865 121.203 120.400 -0.104 0.000 2.211 218 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 218 K C 2.163 178.750 176.600 -0.022 0.000 1.050 218 K CA 1.230 57.515 56.287 -0.004 0.000 0.945 218 K CB -0.070 32.447 32.500 0.028 0.000 0.732 218 K HN 0.558 nan 8.250 nan 0.000 0.451 219 E N -0.201 119.878 120.200 -0.201 0.000 2.204 219 E HA -0.174 4.175 4.350 -0.000 0.000 0.194 219 E C 1.709 178.266 176.600 -0.073 0.000 0.989 219 E CA 1.183 57.470 56.400 -0.189 0.000 0.824 219 E CB -0.104 29.415 29.700 -0.302 0.000 0.756 219 E HN 0.541 nan 8.360 nan 0.000 0.477 220 Y N 0.806 121.134 120.300 0.047 0.000 2.314 220 Y HA -0.013 4.537 4.550 -0.000 0.000 0.293 220 Y C 1.677 177.611 175.900 0.057 0.000 1.129 220 Y CA 0.449 58.572 58.100 0.038 0.000 1.201 220 Y CB 0.154 38.620 38.460 0.010 0.000 0.999 220 Y HN 0.013 nan 8.280 nan 0.000 0.541 221 N N -1.027 117.802 118.700 0.215 0.000 2.235 221 N HA -0.040 4.700 4.740 -0.000 0.000 0.231 221 N C -0.616 174.987 175.510 0.155 0.000 1.177 221 N CA -0.183 52.969 53.050 0.170 0.000 0.874 221 N CB -0.016 38.572 38.487 0.169 0.000 1.097 221 N HN 0.191 nan 8.380 nan 0.000 0.518 222 Y N 3.195 123.508 120.300 0.022 0.000 2.852 222 Y HA -0.166 4.384 4.550 -0.000 0.000 0.343 222 Y C 1.256 177.059 175.900 -0.161 0.000 1.280 222 Y CA 0.863 58.932 58.100 -0.053 0.000 1.604 222 Y CB -0.033 38.389 38.460 -0.064 0.000 1.216 222 Y HN 0.248 nan 8.280 nan 0.000 0.541 223 D N 1.788 121.644 120.400 -0.906 0.000 3.732 223 D HA -0.272 4.368 4.640 -0.000 0.000 0.208 223 D C -0.944 175.254 176.300 -0.169 0.000 1.153 223 D CA 2.394 55.844 54.000 -0.917 0.000 2.311 223 D CB -1.087 39.217 40.800 -0.827 0.000 1.212 223 D HN 0.811 nan 8.370 nan 0.000 0.459 224 K N -1.434 118.918 120.400 -0.080 0.000 2.636 224 K HA 0.652 4.972 4.320 -0.000 0.000 0.268 224 K C -1.677 174.920 176.600 -0.005 0.000 0.958 224 K CA -0.786 55.535 56.287 0.057 0.000 0.875 224 K CB 1.516 34.068 32.500 0.087 0.000 1.382 224 K HN 0.018 nan 8.250 nan 0.000 0.405 225 S N 2.074 117.802 115.700 0.048 0.000 2.473 225 S HA 0.703 5.173 4.470 -0.000 0.000 0.307 225 S C -0.384 174.232 174.600 0.028 0.000 1.094 225 S CA -0.835 57.380 58.200 0.024 0.000 1.070 225 S CB 0.435 63.668 63.200 0.056 0.000 1.019 225 S HN 0.567 nan 8.310 nan 0.000 0.480 226 I N -0.408 120.157 120.570 -0.008 0.000 2.934 226 I HA 0.781 4.951 4.170 -0.000 0.000 0.306 226 I C -1.092 175.083 176.117 0.097 0.000 1.110 226 I CA -1.289 60.031 61.300 0.033 0.000 1.019 226 I CB 1.802 39.741 38.000 -0.101 0.000 1.227 226 I HN 0.234 nan 8.210 nan 0.000 0.434 227 V N 2.462 122.494 119.914 0.197 0.000 2.350 227 V HA 0.436 4.556 4.120 -0.000 0.000 0.276 227 V C -0.955 175.285 176.094 0.244 0.000 1.028 227 V CA 0.061 62.492 62.300 0.220 0.000 0.860 227 V CB 0.842 32.799 31.823 0.223 0.000 0.990 227 V HN 0.743 nan 8.190 nan 0.000 0.453 228 D N 2.734 123.233 120.400 0.165 0.000 2.476 228 D HA 0.261 4.901 4.640 -0.000 0.000 0.251 228 D C 0.941 177.297 176.300 0.094 0.000 1.291 228 D CA -0.195 53.882 54.000 0.129 0.000 0.939 228 D CB 2.112 42.958 40.800 0.076 0.000 1.221 228 D HN 0.474 nan 8.370 nan 0.000 0.567 229 S N 1.248 116.992 115.700 0.073 0.000 2.522 229 S HA 0.050 4.520 4.470 -0.000 0.000 0.227 229 S C 1.789 176.412 174.600 0.039 0.000 0.986 229 S CA 0.446 58.672 58.200 0.043 0.000 0.929 229 S CB 0.229 63.420 63.200 -0.015 0.000 0.769 229 S HN 0.413 nan 8.310 nan 0.000 0.529 230 G N 0.691 109.502 108.800 0.019 0.000 2.985 230 G HA2 0.245 4.204 3.960 -0.000 0.000 0.209 230 G HA3 0.245 4.204 3.960 -0.000 0.000 0.209 230 G C 0.160 175.045 174.900 -0.026 0.000 1.165 230 G CA 0.070 45.156 45.100 -0.024 0.000 0.776 230 G HN 0.484 nan 8.290 nan 0.000 0.541 231 T N 0.037 114.595 114.554 0.006 0.000 2.797 231 T HA 0.395 4.745 4.350 -0.000 0.000 0.279 231 T C 1.157 175.870 174.700 0.022 0.000 0.991 231 T CA -0.385 61.715 62.100 0.000 0.000 0.979 231 T CB 2.035 70.902 68.868 -0.002 0.000 0.943 231 T HN -0.058 nan 8.240 nan 0.000 0.444 232 T N 2.714 117.274 114.554 0.011 0.000 2.770 232 T HA 0.025 4.375 4.350 -0.000 0.000 0.258 232 T C 1.039 175.752 174.700 0.022 0.000 1.039 232 T CA 0.746 62.861 62.100 0.026 0.000 1.143 232 T CB -0.064 68.809 68.868 0.009 0.000 0.866 232 T HN 0.374 nan 8.240 nan 0.000 0.428 233 N N 1.217 119.913 118.700 -0.006 0.000 2.463 233 N HA 0.371 5.111 4.740 -0.000 0.000 0.270 233 N C -0.793 174.706 175.510 -0.018 0.000 1.205 233 N CA -0.727 52.307 53.050 -0.026 0.000 0.974 233 N CB 0.436 38.886 38.487 -0.062 0.000 1.197 233 N HN 0.086 nan 8.380 nan 0.000 0.504 234 L N 1.866 123.073 121.223 -0.027 0.000 2.369 234 L HA 0.266 4.606 4.340 -0.000 0.000 0.279 234 L C -0.432 176.416 176.870 -0.035 0.000 1.108 234 L CA -0.021 54.809 54.840 -0.017 0.000 0.852 234 L CB -0.100 41.951 42.059 -0.014 0.000 1.169 234 L HN 0.261 nan 8.230 nan 0.000 0.452 235 R N 6.795 127.276 120.500 -0.032 0.000 2.239 235 R HA 0.454 4.794 4.340 -0.000 0.000 0.332 235 R C -0.939 175.352 176.300 -0.015 0.000 0.988 235 R CA -0.477 55.591 56.100 -0.053 0.000 0.859 235 R CB 0.515 30.776 30.300 -0.065 0.000 1.148 235 R HN 0.679 nan 8.270 nan 0.000 0.482 236 L N 4.559 125.795 121.223 0.021 0.000 2.343 236 L HA 0.479 4.818 4.340 -0.000 0.000 0.275 236 L C -1.980 174.944 176.870 0.090 0.000 1.056 236 L CA -2.270 52.628 54.840 0.098 0.000 0.804 236 L CB 1.322 43.506 42.059 0.209 0.000 1.203 236 L HN 0.159 nan 8.230 nan 0.000 0.440 237 P HA 0.008 nan 4.420 nan 0.000 0.269 237 P C 0.048 177.428 177.300 0.133 0.000 1.215 237 P CA -0.341 62.823 63.100 0.107 0.000 0.780 237 P CB 0.678 32.453 31.700 0.125 0.000 0.898 238 K N 3.723 124.182 120.400 0.098 0.000 2.030 238 K HA -0.328 3.992 4.320 -0.000 0.000 0.222 238 K C 2.125 178.813 176.600 0.147 0.000 1.056 238 K CA 3.303 59.661 56.287 0.119 0.000 0.957 238 K CB -1.373 31.165 32.500 0.065 0.000 0.727 238 K HN 0.273 nan 8.250 nan 0.000 0.452 239 K N 0.081 120.526 120.400 0.076 0.000 2.148 239 K HA 0.003 4.322 4.320 -0.000 0.000 0.204 239 K C 2.321 178.961 176.600 0.066 0.000 1.050 239 K CA 1.769 58.083 56.287 0.045 0.000 0.942 239 K CB -0.953 31.539 32.500 -0.013 0.000 0.724 239 K HN 0.163 nan 8.250 nan 0.000 0.446 240 V N -0.168 119.811 119.914 0.109 0.000 2.358 240 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 240 V C 2.271 178.458 176.094 0.156 0.000 1.047 240 V CA 1.682 64.073 62.300 0.152 0.000 1.035 240 V CB -0.622 31.342 31.823 0.234 0.000 0.658 240 V HN 0.620 nan 8.190 nan 0.000 0.452 241 F N 1.345 121.323 119.950 0.046 0.000 2.146 241 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 241 F C 2.358 178.177 175.800 0.033 0.000 1.096 241 F CA 2.176 60.203 58.000 0.045 0.000 1.275 241 F CB -0.169 38.863 39.000 0.053 0.000 1.008 241 F HN 0.165 nan 8.300 nan 0.000 0.480 242 E N 0.030 120.196 120.200 -0.058 0.000 2.106 242 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 242 E C 2.246 178.724 176.600 -0.203 0.000 0.984 242 E CA 1.063 57.358 56.400 -0.176 0.000 0.806 242 E CB -0.304 29.391 29.700 -0.009 0.000 0.750 242 E HN 0.469 nan 8.360 nan 0.000 0.458 243 A N 0.544 123.295 122.820 -0.114 0.000 2.014 243 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 243 A C 2.241 179.745 177.584 -0.134 0.000 1.163 243 A CA 1.398 53.375 52.037 -0.100 0.000 0.652 243 A CB -0.436 18.541 19.000 -0.038 0.000 0.808 243 A HN 0.350 nan 8.150 nan 0.000 0.449 244 A N -0.509 122.217 122.820 -0.157 0.000 1.872 244 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 244 A C 2.179 179.618 177.584 -0.242 0.000 1.187 244 A CA 1.585 53.528 52.037 -0.156 0.000 0.614 244 A CB -0.853 18.085 19.000 -0.103 0.000 0.826 244 A HN 0.332 nan 8.150 nan 0.000 0.442 245 V N 0.518 120.183 119.914 -0.415 0.000 2.343 245 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 245 V C 2.524 178.291 176.094 -0.545 0.000 1.051 245 V CA 2.336 64.306 62.300 -0.549 0.000 1.036 245 V CB -0.687 30.695 31.823 -0.736 0.000 0.654 245 V HN 0.672 nan 8.190 nan 0.000 0.451 246 K N -0.028 120.136 120.400 -0.394 0.000 2.074 246 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 246 K C 2.331 178.783 176.600 -0.245 0.000 1.048 246 K CA 2.086 58.194 56.287 -0.298 0.000 0.926 246 K CB -0.212 32.169 32.500 -0.199 0.000 0.713 246 K HN 0.437 nan 8.250 nan 0.000 0.444 247 S N 0.527 116.109 115.700 -0.196 0.000 2.387 247 S HA -0.003 4.466 4.470 -0.000 0.000 0.226 247 S C 1.828 176.360 174.600 -0.114 0.000 1.026 247 S CA 0.931 59.056 58.200 -0.126 0.000 0.972 247 S CB -0.099 63.052 63.200 -0.082 0.000 0.814 247 S HN 0.266 nan 8.310 nan 0.000 0.477 248 I N 1.317 121.794 120.570 -0.156 0.000 2.315 248 I HA -0.162 4.007 4.170 -0.000 0.000 0.248 248 I C 2.283 178.308 176.117 -0.153 0.000 1.117 248 I CA 1.080 62.341 61.300 -0.065 0.000 1.404 248 I CB -0.220 37.800 38.000 0.032 0.000 1.071 248 I HN 0.163 nan 8.210 nan 0.000 0.419 249 K N 1.008 121.147 120.400 -0.435 0.000 2.057 249 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 249 K C 2.305 178.835 176.600 -0.116 0.000 1.049 249 K CA 1.529 57.594 56.287 -0.370 0.000 0.931 249 K CB -0.288 31.883 32.500 -0.548 0.000 0.714 249 K HN 0.311 nan 8.250 nan 0.000 0.440 250 A N 1.382 124.129 122.820 -0.121 0.000 1.902 250 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 250 A C 2.327 179.896 177.584 -0.026 0.000 1.181 250 A CA 1.891 53.892 52.037 -0.060 0.000 0.623 250 A CB -0.643 18.317 19.000 -0.066 0.000 0.818 250 A HN 0.340 nan 8.150 nan 0.000 0.443 251 A N -0.234 122.575 122.820 -0.019 0.000 2.014 251 A HA 0.096 4.415 4.320 -0.000 0.000 0.218 251 A C 1.969 179.544 177.584 -0.015 0.000 1.163 251 A CA 1.710 53.748 52.037 0.002 0.000 0.652 251 A CB -0.460 18.562 19.000 0.036 0.000 0.808 251 A HN 1.029 nan 8.150 nan 0.000 0.449 252 S N -0.407 115.286 115.700 -0.012 0.000 2.588 252 S HA 0.138 4.608 4.470 -0.000 0.000 0.245 252 S C 0.963 175.641 174.600 0.129 0.000 1.021 252 S CA 0.439 58.614 58.200 -0.042 0.000 1.006 252 S CB -0.409 62.659 63.200 -0.220 0.000 0.830 252 S HN 0.631 nan 8.310 nan 0.000 0.468 253 S N 0.464 116.214 115.700 0.083 0.000 2.603 253 S HA -0.051 4.419 4.470 -0.000 0.000 0.229 253 S C 1.331 175.970 174.600 0.066 0.000 0.972 253 S CA 0.631 58.891 58.200 0.100 0.000 0.935 253 S CB -0.996 62.232 63.200 0.047 0.000 0.769 253 S HN 0.542 nan 8.310 nan 0.000 0.536 254 T N 1.635 116.215 114.554 0.043 0.000 2.904 254 T HA 0.069 4.419 4.350 -0.000 0.000 0.267 254 T C 0.638 175.335 174.700 -0.005 0.000 1.059 254 T CA 0.873 62.977 62.100 0.007 0.000 1.137 254 T CB -0.067 68.790 68.868 -0.018 0.000 0.879 254 T HN 0.574 nan 8.240 nan 0.000 0.467 255 E N 0.491 120.694 120.200 0.004 0.000 2.281 255 E HA 0.600 4.950 4.350 -0.000 0.000 0.262 255 E C -0.359 176.051 176.600 -0.318 0.000 0.933 255 E CA -0.791 55.520 56.400 -0.148 0.000 0.809 255 E CB 1.272 30.875 29.700 -0.161 0.000 1.242 255 E HN 0.152 nan 8.360 nan 0.000 0.418 256 K N 1.535 121.655 120.400 -0.466 0.000 2.205 256 K HA 0.513 4.833 4.320 -0.000 0.000 0.279 256 K C -0.995 175.148 176.600 -0.763 0.000 1.027 256 K CA -0.116 55.938 56.287 -0.388 0.000 0.932 256 K CB 0.169 32.535 32.500 -0.223 0.000 1.032 256 K HN 0.370 nan 8.250 nan 0.000 0.466 257 F N 2.007 121.949 119.950 -0.013 0.000 2.557 257 F HA 0.412 4.939 4.527 -0.000 0.000 0.316 257 F C -1.942 173.857 175.800 -0.003 0.000 1.141 257 F CA -2.038 55.884 58.000 -0.129 0.000 0.922 257 F CB 2.236 41.120 39.000 -0.192 0.000 1.194 257 F HN 0.434 nan 8.300 nan 0.000 0.443 258 P HA 0.118 nan 4.420 nan 0.000 0.271 258 P C 0.325 177.752 177.300 0.211 0.000 1.244 258 P CA -0.204 62.968 63.100 0.120 0.000 0.793 258 P CB 0.900 32.637 31.700 0.061 0.000 0.984 259 D N 0.505 121.025 120.400 0.200 0.000 2.117 259 D HA -0.098 4.541 4.640 -0.000 0.000 0.197 259 D C 2.001 178.440 176.300 0.231 0.000 0.987 259 D CA 1.751 55.898 54.000 0.246 0.000 0.829 259 D CB -0.595 40.307 40.800 0.171 0.000 0.961 259 D HN 0.583 nan 8.370 nan 0.000 0.460 260 G N 0.122 109.021 108.800 0.164 0.000 2.509 260 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 260 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 260 G C 1.360 176.341 174.900 0.135 0.000 1.124 260 G CA -0.007 45.177 45.100 0.140 0.000 0.776 260 G HN 0.188 nan 8.290 nan 0.000 0.547 261 F N 0.637 120.543 119.950 -0.072 0.000 2.075 261 F HA -0.028 4.498 4.527 -0.000 0.000 0.297 261 F C 2.229 177.905 175.800 -0.207 0.000 1.113 261 F CA 1.310 59.172 58.000 -0.229 0.000 1.218 261 F CB -0.362 38.340 39.000 -0.498 0.000 0.984 261 F HN 0.241 nan 8.300 nan 0.000 0.472 262 W N 0.380 121.615 121.300 -0.108 0.000 2.465 262 W HA -0.032 4.628 4.660 -0.000 0.000 0.268 262 W C 2.040 178.627 176.519 0.114 0.000 1.242 262 W CA 0.411 57.571 57.345 -0.308 0.000 1.248 262 W CB -0.613 28.700 29.460 -0.245 0.000 1.118 262 W HN 0.028 nan 8.180 nan 0.000 0.587 263 L N 0.052 121.451 121.223 0.295 0.000 2.395 263 L HA 0.173 4.513 4.340 -0.000 0.000 0.218 263 L C 2.028 179.009 176.870 0.184 0.000 1.130 263 L CA 1.079 56.075 54.840 0.261 0.000 0.826 263 L CB -0.779 41.392 42.059 0.187 0.000 0.941 263 L HN 0.284 nan 8.230 nan 0.000 0.451 264 G N -0.617 108.261 108.800 0.130 0.000 2.157 264 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.239 264 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.239 264 G C 0.625 175.557 174.900 0.054 0.000 0.982 264 G CA 0.487 45.631 45.100 0.073 0.000 0.650 264 G HN 0.330 nan 8.290 nan 0.000 0.527 265 E N 0.177 120.418 120.200 0.068 0.000 2.021 265 E HA 0.186 4.536 4.350 -0.000 0.000 0.191 265 E C 1.643 178.287 176.600 0.074 0.000 0.971 265 E CA 0.940 57.380 56.400 0.066 0.000 0.825 265 E CB -0.034 29.709 29.700 0.071 0.000 0.788 265 E HN 0.689 nan 8.360 nan 0.000 0.460 266 Q N 0.126 119.984 119.800 0.098 0.000 2.317 266 Q HA 0.376 4.716 4.340 -0.000 0.000 0.229 266 Q C -0.993 175.106 176.000 0.165 0.000 0.984 266 Q CA -0.532 55.335 55.803 0.106 0.000 0.911 266 Q CB 1.010 29.804 28.738 0.093 0.000 1.217 266 Q HN 0.075 nan 8.270 nan 0.000 0.501 267 L N 0.886 122.175 121.223 0.109 0.000 2.317 267 L HA 0.433 4.773 4.340 -0.000 0.000 0.281 267 L C -1.252 175.626 176.870 0.014 0.000 1.024 267 L CA -0.470 54.436 54.840 0.109 0.000 0.810 267 L CB 2.023 44.104 42.059 0.038 0.000 1.240 267 L HN 0.341 nan 8.230 nan 0.000 0.427 268 V N 3.348 123.252 119.914 -0.016 0.000 2.417 268 V HA 0.498 4.618 4.120 -0.000 0.000 0.291 268 V C -0.574 175.297 176.094 -0.372 0.000 1.024 268 V CA -0.490 61.615 62.300 -0.325 0.000 0.861 268 V CB 1.518 32.979 31.823 -0.604 0.000 0.985 268 V HN 0.867 nan 8.190 nan 0.000 0.436 269 c N 4.399 122.684 118.600 -0.525 0.000 2.667 269 c HA 0.740 5.310 4.570 -0.000 0.000 0.323 269 c C -0.665 173.094 174.090 -0.551 0.000 1.214 269 c CA -0.929 55.179 56.329 -0.368 0.000 1.721 269 c CB 1.778 44.166 42.510 -0.203 0.000 2.275 269 c HN 0.871 nan 8.230 nan 0.000 0.491 270 W N -0.581 120.724 121.300 0.008 0.000 3.032 270 W HA 0.564 5.223 4.660 -0.000 0.000 0.341 270 W C 0.059 176.575 176.519 -0.005 0.000 1.202 270 W CA -0.392 56.952 57.345 -0.003 0.000 1.132 270 W CB 0.676 30.142 29.460 0.010 0.000 1.465 270 W HN 0.885 nan 8.180 nan 0.000 0.576 271 Q N 0.458 120.406 119.800 0.246 0.000 2.395 271 Q HA 0.470 4.810 4.340 -0.000 0.000 0.271 271 Q C 0.352 176.433 176.000 0.134 0.000 1.026 271 Q CA 0.403 56.287 55.803 0.135 0.000 0.900 271 Q CB 0.112 nan 28.738 nan 0.000 1.266 271 Q HN 0.596 nan 8.270 nan 0.000 0.430 272 A N 1.140 124.014 122.820 0.090 0.000 2.517 272 A HA 0.473 4.793 4.320 -0.000 0.000 0.284 272 A C 1.581 179.217 177.584 0.087 0.000 1.195 272 A CA 0.993 53.080 52.037 0.084 0.000 0.873 272 A CB -1.296 17.737 19.000 0.054 0.000 1.055 272 A HN 2.629 nan 8.150 nan 0.000 0.538 273 G N 1.998 110.866 108.800 0.113 0.000 2.144 273 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 273 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 273 G C 0.529 175.462 174.900 0.055 0.000 0.988 273 G CA 0.496 45.654 45.100 0.098 0.000 0.659 273 G HN 1.133 nan 8.290 nan 0.000 0.522 274 T N 1.180 115.758 114.554 0.040 0.000 3.105 274 T HA 0.254 4.604 4.350 -0.000 0.000 0.253 274 T C 1.089 175.615 174.700 -0.291 0.000 1.047 274 T CA 0.693 62.767 62.100 -0.043 0.000 0.944 274 T CB 0.438 69.332 68.868 0.043 0.000 1.016 274 T HN 0.431 nan 8.240 nan 0.000 0.544 275 T N 5.523 119.873 114.554 -0.340 0.000 2.793 275 T HA 0.176 4.526 4.350 -0.000 0.000 0.289 275 T C -2.431 171.678 174.700 -0.984 0.000 0.956 275 T CA -0.758 60.801 62.100 -0.902 0.000 1.177 275 T CB 0.400 68.772 68.868 -0.828 0.000 0.897 275 T HN 0.103 nan 8.240 nan 0.000 0.533 276 P HA 0.245 nan 4.420 nan 0.000 0.262 276 P C -0.255 176.850 177.300 -0.326 0.000 1.620 276 P CA -0.590 62.182 63.100 -0.548 0.000 1.089 276 P CB 0.180 31.600 31.700 -0.466 0.000 1.601 277 W N 2.204 123.500 121.300 -0.008 0.000 2.436 277 W HA -0.122 4.538 4.660 -0.000 0.000 0.284 277 W C 2.159 178.784 176.519 0.178 0.000 1.225 277 W CA 0.545 57.951 57.345 0.102 0.000 1.271 277 W CB -0.689 28.787 29.460 0.025 0.000 1.114 277 W HN 0.286 nan 8.180 nan 0.000 0.559 278 N N 2.357 121.244 118.700 0.312 0.000 2.289 278 N HA -0.182 4.558 4.740 -0.000 0.000 0.184 278 N C 1.392 176.971 175.510 0.115 0.000 1.016 278 N CA 1.904 55.074 53.050 0.200 0.000 0.872 278 N CB -1.216 37.330 38.487 0.098 0.000 0.973 278 N HN 0.438 nan 8.380 nan 0.000 0.433 279 I N -3.773 116.814 120.570 0.029 0.000 2.928 279 I HA 0.181 4.351 4.170 -0.000 0.000 0.266 279 I C -0.185 175.839 176.117 -0.156 0.000 1.234 279 I CA 0.060 61.288 61.300 -0.119 0.000 1.483 279 I CB -0.358 37.488 38.000 -0.258 0.000 1.097 279 I HN -0.258 nan 8.210 nan 0.000 0.455 280 F N 3.826 123.883 119.950 0.178 0.000 2.404 280 F HA 0.531 5.058 4.527 -0.000 0.000 0.345 280 F C -1.974 173.985 175.800 0.264 0.000 1.110 280 F CA -2.813 55.343 58.000 0.260 0.000 1.130 280 F CB 0.405 39.580 39.000 0.292 0.000 1.129 280 F HN -0.135 nan 8.300 nan 0.000 0.500 281 P HA 0.190 nan 4.420 nan 0.000 0.274 281 P C -0.731 176.795 177.300 0.377 0.000 1.246 281 P CA -0.300 62.989 63.100 0.315 0.000 0.795 281 P CB 1.308 33.140 31.700 0.220 0.000 1.006 282 V N -0.675 119.390 119.914 0.252 0.000 2.785 282 V HA 0.485 4.605 4.120 -0.000 0.000 0.300 282 V C 0.162 176.352 176.094 0.160 0.000 1.062 282 V CA -0.600 61.839 62.300 0.232 0.000 1.029 282 V CB 0.336 32.248 31.823 0.149 0.000 1.024 282 V HN 0.281 nan 8.190 nan 0.000 0.477 283 I N 2.634 123.286 120.570 0.138 0.000 2.433 283 I HA 0.488 4.658 4.170 -0.000 0.000 0.292 283 I C -0.017 176.100 176.117 -0.001 0.000 1.001 283 I CA -0.103 61.216 61.300 0.032 0.000 1.119 283 I CB 1.994 39.976 38.000 -0.031 0.000 1.289 283 I HN 0.686 nan 8.210 nan 0.000 0.438 284 S N 6.992 122.658 115.700 -0.057 0.000 2.498 284 S HA 0.606 5.076 4.470 -0.000 0.000 0.317 284 S C -0.459 174.022 174.600 -0.198 0.000 1.090 284 S CA -0.601 57.511 58.200 -0.146 0.000 1.089 284 S CB 1.041 64.138 63.200 -0.173 0.000 0.997 284 S HN 0.342 nan 8.310 nan 0.000 0.470 285 L N 3.670 124.716 121.223 -0.295 0.000 2.282 285 L HA 0.496 4.836 4.340 -0.000 0.000 0.288 285 L C -1.113 175.471 176.870 -0.477 0.000 1.033 285 L CA -0.780 53.858 54.840 -0.336 0.000 0.807 285 L CB 0.534 42.387 42.059 -0.343 0.000 1.209 285 L HN 0.588 nan 8.230 nan 0.000 0.423 286 Y N 3.925 123.939 120.300 -0.476 0.000 2.327 286 Y HA 0.499 5.049 4.550 -0.000 0.000 0.336 286 Y C 0.070 175.661 175.900 -0.514 0.000 1.035 286 Y CA -0.224 57.566 58.100 -0.516 0.000 1.165 286 Y CB 1.090 39.294 38.460 -0.427 0.000 1.181 286 Y HN 0.367 nan 8.280 nan 0.000 0.494 287 L N 4.061 124.917 121.223 -0.612 0.000 2.330 287 L HA 0.495 4.834 4.340 -0.000 0.000 0.271 287 L C 0.034 176.708 176.870 -0.326 0.000 1.013 287 L CA -1.113 53.403 54.840 -0.540 0.000 0.816 287 L CB 1.650 43.219 42.059 -0.818 0.000 1.287 287 L HN 0.602 nan 8.230 nan 0.000 0.435 288 M N 1.342 120.889 119.600 -0.089 0.000 2.251 288 M HA 0.196 4.676 4.480 -0.000 0.000 0.343 288 M C 0.486 176.901 176.300 0.192 0.000 1.245 288 M CA 0.402 55.737 55.300 0.058 0.000 1.061 288 M CB 0.619 33.269 32.600 0.083 0.000 1.723 288 M HN 0.739 nan 8.290 nan 0.000 0.449 289 G N 3.349 112.310 108.800 0.269 0.000 2.532 289 G HA2 0.223 4.183 3.960 -0.000 0.000 0.291 289 G HA3 0.223 4.183 3.960 -0.000 0.000 0.291 289 G C 0.024 175.096 174.900 0.287 0.000 1.349 289 G CA -0.400 44.948 45.100 0.414 0.000 1.038 289 G HN 0.904 nan 8.290 nan 0.000 0.518 290 E N -1.712 118.646 120.200 0.263 0.000 2.216 290 E HA 0.032 4.382 4.350 -0.000 0.000 0.192 290 E C 0.511 177.183 176.600 0.120 0.000 0.988 290 E CA 0.303 56.801 56.400 0.162 0.000 0.834 290 E CB 0.277 30.044 29.700 0.111 0.000 0.772 290 E HN 0.143 nan 8.360 nan 0.000 0.479 291 V N 1.455 121.451 119.914 0.136 0.000 2.713 291 V HA 0.127 4.246 4.120 -0.000 0.000 0.307 291 V C 0.312 176.469 176.094 0.105 0.000 1.052 291 V CA -0.917 61.445 62.300 0.103 0.000 0.967 291 V CB 1.706 33.588 31.823 0.099 0.000 1.019 291 V HN 0.019 nan 8.190 nan 0.000 0.459 292 T N 4.138 118.739 114.554 0.079 0.000 2.905 292 T HA 0.022 4.371 4.350 -0.000 0.000 0.299 292 T C 1.016 175.763 174.700 0.079 0.000 1.024 292 T CA 0.582 62.724 62.100 0.071 0.000 1.151 292 T CB -0.325 68.574 68.868 0.051 0.000 0.987 292 T HN 0.859 nan 8.240 nan 0.000 0.535 293 N N 0.151 118.899 118.700 0.079 0.000 2.900 293 N HA -0.160 4.580 4.740 -0.000 0.000 0.240 293 N C 0.087 175.664 175.510 0.111 0.000 0.953 293 N CA 1.090 54.188 53.050 0.082 0.000 0.950 293 N CB -0.476 38.050 38.487 0.065 0.000 1.102 293 N HN 0.778 nan 8.380 nan 0.000 0.593 294 Q N 1.401 121.285 119.800 0.140 0.000 2.257 294 Q HA 0.483 4.823 4.340 -0.000 0.000 0.255 294 Q C -0.237 175.906 176.000 0.238 0.000 0.920 294 Q CA -0.041 55.877 55.803 0.193 0.000 0.927 294 Q CB 1.357 30.219 28.738 0.207 0.000 1.229 294 Q HN 0.352 nan 8.270 nan 0.000 0.433 295 S N 3.140 119.008 115.700 0.280 0.000 2.704 295 S HA 0.877 5.347 4.470 -0.000 0.000 0.296 295 S C -0.732 174.097 174.600 0.382 0.000 1.138 295 S CA -0.746 57.623 58.200 0.282 0.000 0.875 295 S CB 1.344 64.653 63.200 0.183 0.000 1.151 295 S HN 0.563 nan 8.310 nan 0.000 0.500 296 F N -0.968 119.022 119.950 0.068 0.000 2.613 296 F HA 0.865 5.392 4.527 -0.000 0.000 0.310 296 F C -0.799 174.774 175.800 -0.379 0.000 1.085 296 F CA -1.282 56.624 58.000 -0.158 0.000 0.945 296 F CB 1.392 40.136 39.000 -0.427 0.000 1.298 296 F HN 0.901 nan 8.300 nan 0.000 0.455 297 R N 2.921 123.082 120.500 -0.566 0.000 2.589 297 R HA 0.838 5.178 4.340 -0.000 0.000 0.293 297 R C -1.293 174.675 176.300 -0.554 0.000 0.963 297 R CA -0.830 54.702 56.100 -0.946 0.000 0.905 297 R CB 1.943 31.271 30.300 -1.620 0.000 1.144 297 R HN 0.925 nan 8.270 nan 0.000 0.459 298 I N -0.852 119.350 120.570 -0.612 0.000 2.404 298 I HA 0.542 4.712 4.170 -0.000 0.000 0.293 298 I C -0.998 174.988 176.117 -0.218 0.000 0.992 298 I CA -0.704 60.297 61.300 -0.498 0.000 1.149 298 I CB 2.576 39.957 38.000 -1.032 0.000 1.315 298 I HN 0.547 nan 8.210 nan 0.000 0.446 299 T N 7.343 121.948 114.554 0.085 0.000 2.812 299 T HA 0.637 4.987 4.350 -0.000 0.000 0.282 299 T C -0.169 174.666 174.700 0.224 0.000 0.990 299 T CA -0.414 61.749 62.100 0.106 0.000 0.960 299 T CB 1.301 70.185 68.868 0.027 0.000 0.948 299 T HN 0.643 nan 8.240 nan 0.000 0.438 300 I N 1.050 121.719 120.570 0.164 0.000 2.460 300 I HA 0.676 4.845 4.170 -0.000 0.000 0.298 300 I C -0.587 175.616 176.117 0.145 0.000 0.989 300 I CA -1.218 60.146 61.300 0.107 0.000 1.173 300 I CB 1.019 39.107 38.000 0.147 0.000 1.338 300 I HN 0.404 nan 8.210 nan 0.000 0.456 301 L N 5.098 126.361 121.223 0.066 0.000 2.431 301 L HA 0.453 4.793 4.340 -0.000 0.000 0.260 301 L C -1.244 175.579 176.870 -0.077 0.000 1.098 301 L CA -1.679 53.190 54.840 0.048 0.000 0.800 301 L CB 0.691 42.730 42.059 -0.034 0.000 1.210 301 L HN 0.460 nan 8.230 nan 0.000 0.465 302 P HA -0.198 nan 4.420 nan 0.000 0.217 302 P C 0.999 177.963 177.300 -0.560 0.000 1.148 302 P CA 1.268 63.928 63.100 -0.733 0.000 0.828 302 P CB 0.226 31.876 31.700 -0.083 0.000 0.783 303 Q N -0.374 119.128 119.800 -0.497 0.000 2.181 303 Q HA -0.199 4.141 4.340 -0.000 0.000 0.205 303 Q C 2.366 178.213 176.000 -0.255 0.000 0.980 303 Q CA 1.700 57.163 55.803 -0.568 0.000 0.862 303 Q CB -0.682 27.632 28.738 -0.706 0.000 0.905 303 Q HN 0.307 nan 8.270 nan 0.000 0.429 304 Q N -1.356 118.329 119.800 -0.191 0.000 2.062 304 Q HA -0.084 4.256 4.340 -0.000 0.000 0.196 304 Q C 1.341 177.345 176.000 0.005 0.000 0.967 304 Q CA 1.265 57.032 55.803 -0.060 0.000 0.832 304 Q CB -0.083 28.644 28.738 -0.019 0.000 0.899 304 Q HN 0.730 nan 8.270 nan 0.000 0.442 305 Y N -1.802 118.492 120.300 -0.011 0.000 2.466 305 Y HA 0.426 4.976 4.550 -0.000 0.000 0.272 305 Y C -0.297 175.575 175.900 -0.046 0.000 1.169 305 Y CA -0.340 57.727 58.100 -0.055 0.000 1.285 305 Y CB -0.014 38.399 38.460 -0.079 0.000 1.078 305 Y HN -0.165 nan 8.280 nan 0.000 0.523 306 L N 2.882 124.031 121.223 -0.123 0.000 2.313 306 L HA 0.441 4.781 4.340 -0.000 0.000 0.273 306 L C -0.060 176.932 176.870 0.203 0.000 1.028 306 L CA -0.548 54.315 54.840 0.038 0.000 0.871 306 L CB 1.027 43.015 42.059 -0.118 0.000 1.242 306 L HN 0.068 nan 8.230 nan 0.000 0.434 307 R N 3.936 124.560 120.500 0.207 0.000 2.298 307 R HA 0.306 4.646 4.340 -0.000 0.000 0.310 307 R C -2.341 174.133 176.300 0.289 0.000 1.068 307 R CA -1.484 54.740 56.100 0.206 0.000 0.957 307 R CB 0.939 31.306 30.300 0.111 0.000 1.003 307 R HN 0.185 nan 8.270 nan 0.000 0.454 308 P HA 0.040 nan 4.420 nan 0.000 0.271 308 P C -0.880 176.425 177.300 0.009 0.000 1.216 308 P CA -0.136 63.014 63.100 0.083 0.000 0.776 308 P CB 1.026 32.773 31.700 0.079 0.000 0.881 319 c N 2.062 120.425 118.600 -0.396 0.000 2.391 319 c HA 0.770 5.340 4.570 -0.000 0.000 0.339 319 c C -0.465 173.292 174.090 -0.554 0.000 1.205 319 c CA -0.479 55.654 56.329 -0.327 0.000 1.937 319 c CB 0.029 42.440 42.510 -0.165 0.000 2.341 319 c HN 0.505 nan 8.230 nan 0.000 0.516 320 Y N 0.202 120.567 120.300 0.108 0.000 2.638 320 Y HA 0.644 5.193 4.550 -0.000 0.000 0.339 320 Y C -0.054 175.977 175.900 0.218 0.000 1.084 320 Y CA -0.964 57.239 58.100 0.172 0.000 1.068 320 Y CB 1.439 40.035 38.460 0.227 0.000 1.294 320 Y HN 0.525 nan 8.280 nan 0.000 0.480 321 K N 1.077 121.706 120.400 0.383 0.000 2.468 321 K HA 0.408 4.727 4.320 -0.000 0.000 0.252 321 K C -1.880 174.813 176.600 0.154 0.000 0.932 321 K CA -0.749 55.688 56.287 0.250 0.000 0.794 321 K CB 1.359 33.940 32.500 0.135 0.000 1.241 321 K HN 0.570 nan 8.250 nan 0.000 0.428 322 F N 3.520 123.274 119.950 -0.326 0.000 2.494 322 F HA 0.281 4.807 4.527 -0.000 0.000 0.369 322 F C 0.313 176.057 175.800 -0.094 0.000 1.098 322 F CA -0.116 57.645 58.000 -0.398 0.000 1.154 322 F CB 0.746 39.124 39.000 -1.036 0.000 1.103 322 F HN 0.637 nan 8.300 nan 0.000 0.549 323 A N 7.816 130.404 122.820 -0.386 0.000 2.640 323 A HA 0.419 4.739 4.320 -0.000 0.000 0.282 323 A C 0.009 177.385 177.584 -0.347 0.000 1.357 323 A CA -0.221 51.669 52.037 -0.246 0.000 0.946 323 A CB -1.045 17.914 19.000 -0.068 0.000 1.065 323 A HN 0.627 nan 8.150 nan 0.000 0.541 324 I N 0.793 120.951 120.570 -0.687 0.000 2.465 324 I HA 0.458 4.628 4.170 -0.000 0.000 0.291 324 I C -0.034 176.065 176.117 -0.031 0.000 1.014 324 I CA -0.353 60.737 61.300 -0.351 0.000 1.093 324 I CB 2.365 40.146 38.000 -0.365 0.000 1.267 324 I HN 0.265 nan 8.210 nan 0.000 0.431 325 S N 3.636 119.246 115.700 -0.149 0.000 2.705 325 S HA 0.460 4.929 4.470 -0.000 0.000 0.280 325 S C -0.915 173.189 174.600 -0.827 0.000 1.174 325 S CA -0.981 56.895 58.200 -0.541 0.000 0.823 325 S CB 1.708 64.746 63.200 -0.270 0.000 1.162 325 S HN 0.637 nan 8.310 nan 0.000 0.487 326 Q N 0.696 119.927 119.800 -0.949 0.000 2.340 326 Q HA 0.510 4.850 4.340 -0.000 0.000 0.249 326 Q C -0.555 175.295 176.000 -0.249 0.000 0.957 326 Q CA -0.262 55.199 55.803 -0.570 0.000 0.882 326 Q CB 0.749 29.245 28.738 -0.403 0.000 1.235 326 Q HN 0.858 nan 8.270 nan 0.000 0.439 327 S N 0.352 115.974 115.700 -0.129 0.000 2.513 327 S HA 0.277 4.747 4.470 -0.000 0.000 0.299 327 S C 0.370 174.949 174.600 -0.034 0.000 1.087 327 S CA -0.259 57.898 58.200 -0.073 0.000 1.012 327 S CB 1.778 64.947 63.200 -0.053 0.000 1.044 327 S HN 0.699 nan 8.310 nan 0.000 0.485 328 S N 1.008 116.688 115.700 -0.034 0.000 2.561 328 S HA 0.107 4.577 4.470 -0.000 0.000 0.225 328 S C 0.865 175.452 174.600 -0.021 0.000 0.977 328 S CA 0.765 58.956 58.200 -0.015 0.000 0.926 328 S CB -0.458 62.732 63.200 -0.017 0.000 0.769 328 S HN 0.906 nan 8.310 nan 0.000 0.533 329 T N -0.366 114.162 114.554 -0.043 0.000 2.555 329 T HA 0.655 5.005 4.350 -0.000 0.000 0.234 329 T C 0.787 175.472 174.700 -0.025 0.000 0.837 329 T CA 0.062 62.113 62.100 -0.082 0.000 1.163 329 T CB 0.662 69.437 68.868 -0.155 0.000 1.556 329 T HN 0.294 nan 8.240 nan 0.000 0.520 330 G N 0.334 109.104 108.800 -0.050 0.000 2.546 330 G HA2 0.410 4.369 3.960 -0.000 0.000 0.239 330 G HA3 0.410 4.369 3.960 -0.000 0.000 0.239 330 G C -0.467 174.445 174.900 0.020 0.000 1.476 330 G CA -0.193 44.922 45.100 0.024 0.000 1.064 330 G HN 0.742 nan 8.290 nan 0.000 0.561 331 T N 0.473 115.051 114.554 0.040 0.000 2.779 331 T HA 0.371 4.721 4.350 -0.000 0.000 0.296 331 T C -0.120 174.575 174.700 -0.009 0.000 0.938 331 T CA -0.093 62.021 62.100 0.023 0.000 1.119 331 T CB 1.207 70.090 68.868 0.025 0.000 0.891 331 T HN 0.219 nan 8.240 nan 0.000 0.526 332 V N 5.843 125.746 119.914 -0.018 0.000 2.311 332 V HA 0.259 4.378 4.120 -0.000 0.000 0.275 332 V C 0.311 176.408 176.094 0.004 0.000 1.022 332 V CA -0.614 61.672 62.300 -0.023 0.000 0.830 332 V CB 0.723 32.518 31.823 -0.046 0.000 1.012 332 V HN 0.919 nan 8.190 nan 0.000 0.452 333 M N 4.947 124.565 119.600 0.030 0.000 2.557 333 M HA 0.333 4.813 4.480 -0.000 0.000 0.328 333 M C 1.026 177.376 176.300 0.083 0.000 1.423 333 M CA 0.238 55.573 55.300 0.058 0.000 1.418 333 M CB 0.265 32.912 32.600 0.078 0.000 1.381 333 M HN 0.758 nan 8.290 nan 0.000 0.467 334 G N 0.983 109.821 108.800 0.063 0.000 2.509 334 G HA2 0.489 4.449 3.960 -0.000 0.000 0.269 334 G HA3 0.489 4.449 3.960 -0.000 0.000 0.269 334 G C 0.894 175.848 174.900 0.091 0.000 1.416 334 G CA -0.038 45.102 45.100 0.067 0.000 1.052 334 G HN 0.698 nan 8.290 nan 0.000 0.542 335 A N -1.463 121.413 122.820 0.093 0.000 2.024 335 A HA -0.003 4.317 4.320 -0.000 0.000 0.220 335 A C 2.508 180.158 177.584 0.110 0.000 1.164 335 A CA 1.926 54.036 52.037 0.122 0.000 0.643 335 A CB -0.633 18.476 19.000 0.183 0.000 0.806 335 A HN 0.449 nan 8.150 nan 0.000 0.451 336 V N 0.418 120.385 119.914 0.087 0.000 2.255 336 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 336 V C 2.448 178.600 176.094 0.096 0.000 1.051 336 V CA 1.980 64.328 62.300 0.080 0.000 1.018 336 V CB -0.574 31.287 31.823 0.063 0.000 0.641 336 V HN 0.538 nan 8.190 nan 0.000 0.445 337 I N -0.631 120.016 120.570 0.129 0.000 2.163 337 I HA -0.217 3.952 4.170 -0.000 0.000 0.240 337 I C 2.477 178.769 176.117 0.291 0.000 1.081 337 I CA 1.884 63.316 61.300 0.220 0.000 1.353 337 I CB -1.023 37.101 38.000 0.206 0.000 1.054 337 I HN 0.305 nan 8.210 nan 0.000 0.407 338 M N 0.038 119.776 119.600 0.231 0.000 2.202 338 M HA -0.213 4.267 4.480 -0.000 0.000 0.262 338 M C 1.875 178.245 176.300 0.116 0.000 1.063 338 M CA 1.592 57.017 55.300 0.210 0.000 1.097 338 M CB -0.593 32.077 32.600 0.116 0.000 1.382 338 M HN 0.208 nan 8.290 nan 0.000 0.413 339 E N -0.072 120.167 120.200 0.065 0.000 2.409 339 E HA -0.087 4.263 4.350 -0.000 0.000 0.198 339 E C 1.877 178.460 176.600 -0.029 0.000 1.024 339 E CA 0.657 57.077 56.400 0.034 0.000 0.861 339 E CB -0.100 29.643 29.700 0.072 0.000 0.788 339 E HN 0.607 nan 8.360 nan 0.000 0.521 340 G N -0.383 108.303 108.800 -0.189 0.000 2.796 340 G HA2 0.100 4.060 3.960 -0.000 0.000 0.210 340 G HA3 0.100 4.060 3.960 -0.000 0.000 0.210 340 G C 0.124 174.556 174.900 -0.780 0.000 1.146 340 G CA -0.178 44.584 45.100 -0.562 0.000 0.779 340 G HN 0.000 nan 8.290 nan 0.000 0.535 341 F N -1.654 118.339 119.950 0.071 0.000 2.576 341 F HA 0.451 4.977 4.527 -0.000 0.000 0.313 341 F C -0.883 174.986 175.800 0.115 0.000 1.078 341 F CA -1.664 56.398 58.000 0.102 0.000 0.921 341 F CB 1.709 40.835 39.000 0.210 0.000 1.232 341 F HN -0.084 nan 8.300 nan 0.000 0.459 342 Y N 2.942 123.342 120.300 0.166 0.000 2.452 342 Y HA 0.546 5.096 4.550 -0.000 0.000 0.348 342 Y C -0.767 175.034 175.900 -0.166 0.000 0.985 342 Y CA -1.008 57.100 58.100 0.014 0.000 1.214 342 Y CB 0.451 38.938 38.460 0.044 0.000 1.136 342 Y HN 0.295 nan 8.280 nan 0.000 0.523 343 V N 7.468 127.046 119.914 -0.560 0.000 2.370 343 V HA 0.333 4.452 4.120 -0.000 0.000 0.283 343 V C -0.465 175.061 176.094 -0.947 0.000 1.023 343 V CA -1.026 60.768 62.300 -0.844 0.000 0.857 343 V CB 1.175 32.572 31.823 -0.710 0.000 0.985 343 V HN 0.516 nan 8.190 nan 0.000 0.443 344 V N 5.667 124.978 119.914 -1.006 0.000 2.350 344 V HA 0.394 4.513 4.120 -0.000 0.000 0.276 344 V C -0.328 175.297 176.094 -0.783 0.000 1.028 344 V CA -0.244 61.600 62.300 -0.760 0.000 0.860 344 V CB 1.033 32.530 31.823 -0.544 0.000 0.990 344 V HN 0.736 nan 8.190 nan 0.000 0.453 345 F N 2.894 122.348 119.950 -0.827 0.000 2.541 345 F HA 0.251 4.778 4.527 -0.000 0.000 0.351 345 F C 0.950 176.452 175.800 -0.496 0.000 1.209 345 F CA -0.408 57.076 58.000 -0.861 0.000 1.277 345 F CB 0.326 38.293 39.000 -1.722 0.000 1.632 345 F HN 0.436 nan 8.300 nan 0.000 0.619 346 D N 2.486 122.806 120.400 -0.134 0.000 2.545 346 D HA 0.043 4.682 4.640 -0.000 0.000 0.227 346 D C 1.474 177.822 176.300 0.080 0.000 1.150 346 D CA 0.186 54.180 54.000 -0.009 0.000 1.046 346 D CB 0.191 40.999 40.800 0.013 0.000 1.098 346 D HN 0.419 nan 8.370 nan 0.000 0.502 347 R N 1.425 122.008 120.500 0.138 0.000 2.152 347 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 347 R C 2.044 178.467 176.300 0.206 0.000 1.117 347 R CA 1.225 57.485 56.100 0.267 0.000 0.981 347 R CB 0.088 30.574 30.300 0.309 0.000 0.870 347 R HN 0.345 nan 8.270 nan 0.000 0.451 348 A N 0.952 123.858 122.820 0.143 0.000 1.930 348 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 348 A C 1.659 179.279 177.584 0.061 0.000 1.175 348 A CA 1.131 53.229 52.037 0.102 0.000 0.627 348 A CB -0.051 18.997 19.000 0.080 0.000 0.815 348 A HN 0.193 nan 8.150 nan 0.000 0.443 349 R N -1.638 118.883 120.500 0.034 0.000 2.586 349 R HA 0.237 4.577 4.340 -0.000 0.000 0.336 349 R C -0.223 176.088 176.300 0.018 0.000 1.060 349 R CA -0.048 56.049 56.100 -0.005 0.000 1.079 349 R CB 0.103 30.353 30.300 -0.082 0.000 1.317 349 R HN 0.429 nan 8.270 nan 0.000 0.568 350 K N 1.904 122.348 120.400 0.073 0.000 3.156 350 K HA -0.235 4.085 4.320 -0.000 0.000 0.266 350 K C -0.912 175.751 176.600 0.106 0.000 0.966 350 K CA 0.947 57.292 56.287 0.098 0.000 0.719 350 K CB -0.666 31.866 32.500 0.052 0.000 1.333 350 K HN 0.446 nan 8.250 nan 0.000 0.468 351 R N -0.708 119.859 120.500 0.111 0.000 2.739 351 R HA 0.650 4.989 4.340 -0.000 0.000 0.271 351 R C -0.891 175.475 176.300 0.111 0.000 1.010 351 R CA -1.142 55.035 56.100 0.129 0.000 0.897 351 R CB 1.191 31.550 30.300 0.098 0.000 1.236 351 R HN 0.046 nan 8.270 nan 0.000 0.466 352 I N 1.193 121.816 120.570 0.088 0.000 2.418 352 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 352 I C 0.133 176.102 176.117 -0.246 0.000 1.008 352 I CA -0.874 60.300 61.300 -0.211 0.000 1.104 352 I CB 2.271 40.041 38.000 -0.383 0.000 1.264 352 I HN 0.872 nan 8.210 nan 0.000 0.438 353 G N 5.320 113.761 108.800 -0.599 0.000 2.377 353 G HA2 0.669 4.629 3.960 -0.000 0.000 0.299 353 G HA3 0.669 4.629 3.960 -0.000 0.000 0.299 353 G C -1.236 173.100 174.900 -0.941 0.000 1.150 353 G CA -0.182 44.296 45.100 -1.036 0.000 0.847 353 G HN 0.353 nan 8.290 nan 0.000 0.501 354 F N 0.617 120.243 119.950 -0.541 0.000 2.529 354 F HA 0.696 5.223 4.527 -0.000 0.000 0.320 354 F C 0.393 176.043 175.800 -0.249 0.000 1.118 354 F CA -0.402 57.391 58.000 -0.344 0.000 0.915 354 F CB 2.739 41.587 39.000 -0.254 0.000 1.161 354 F HN 0.723 nan 8.300 nan 0.000 0.445 355 A N 1.722 124.584 122.820 0.069 0.000 2.587 355 A HA 0.729 5.049 4.320 -0.000 0.000 0.293 355 A C -1.433 176.372 177.584 0.369 0.000 1.087 355 A CA -0.840 51.296 52.037 0.165 0.000 0.692 355 A CB 1.114 20.095 19.000 -0.033 0.000 1.291 355 A HN 0.433 nan 8.150 nan 0.000 0.407 356 V N 1.803 121.919 119.914 0.336 0.000 2.493 356 V HA 0.189 4.308 4.120 -0.000 0.000 0.292 356 V C 1.211 177.418 176.094 0.188 0.000 1.016 356 V CA 0.484 62.906 62.300 0.203 0.000 1.097 356 V CB 0.857 32.720 31.823 0.067 0.000 0.947 356 V HN 0.901 nan 8.190 nan 0.000 0.479 357 S N 4.229 119.987 115.700 0.096 0.000 2.549 357 S HA 0.352 4.822 4.470 -0.000 0.000 0.279 357 S C 1.293 176.041 174.600 0.246 0.000 1.321 357 S CA -0.132 58.179 58.200 0.185 0.000 1.054 357 S CB 1.143 64.433 63.200 0.150 0.000 0.899 357 S HN 0.995 nan 8.310 nan 0.000 0.497 358 A N 3.344 126.258 122.820 0.157 0.000 2.168 358 A HA 0.001 4.320 4.320 -0.000 0.000 0.215 358 A C 1.893 179.540 177.584 0.105 0.000 1.152 358 A CA 1.096 53.201 52.037 0.113 0.000 0.716 358 A CB -1.016 17.993 19.000 0.014 0.000 0.794 358 A HN 1.189 nan 8.150 nan 0.000 0.465 359 c N -1.134 117.535 118.600 0.115 0.000 3.183 359 c HA 0.311 4.880 4.570 -0.000 0.000 0.285 359 c C 0.943 175.064 174.090 0.052 0.000 1.313 359 c CA -0.127 56.236 56.329 0.058 0.000 1.711 359 c CB -1.680 40.857 42.510 0.045 0.000 2.135 359 c HN 0.684 nan 8.230 nan 0.000 0.651 360 H N 1.258 120.340 119.070 0.020 0.000 2.848 360 H HA 0.415 4.971 4.556 -0.000 0.000 0.341 360 H C -0.640 174.707 175.328 0.032 0.000 1.060 360 H CA 0.165 56.207 56.048 -0.011 0.000 1.444 360 H CB 0.669 30.382 29.762 -0.082 0.000 1.446 360 H HN 0.182 nan 8.280 nan 0.000 0.583 361 V N 6.978 126.787 119.914 -0.174 0.000 2.508 361 V HA 0.130 4.250 4.120 -0.000 0.000 0.281 361 V C 0.585 176.472 176.094 -0.345 0.000 1.041 361 V CA 0.083 62.195 62.300 -0.314 0.000 1.016 361 V CB 0.057 31.735 31.823 -0.242 0.000 0.984 361 V HN 0.999 nan 8.190 nan 0.000 0.478 362 H N 1.877 120.666 119.070 -0.468 0.000 2.996 362 H HA 0.536 5.092 4.556 -0.000 0.000 0.368 362 H C -1.086 174.016 175.328 -0.378 0.000 1.185 362 H CA -1.167 54.638 56.048 -0.406 0.000 1.160 362 H CB 1.833 31.390 29.762 -0.341 0.000 1.820 362 H HN 0.692 nan 8.280 nan 0.000 0.547 363 D N 0.424 120.652 120.400 -0.287 0.000 2.433 363 D HA 0.027 4.667 4.640 -0.000 0.000 0.255 363 D C 0.929 177.100 176.300 -0.215 0.000 1.226 363 D CA -0.603 53.206 54.000 -0.317 0.000 1.015 363 D CB 1.322 41.938 40.800 -0.306 0.000 1.091 363 D HN 0.620 nan 8.370 nan 0.000 0.527 364 E N -1.038 118.906 120.200 -0.428 0.000 2.208 364 E HA -0.033 4.316 4.350 -0.000 0.000 0.193 364 E C 1.288 177.774 176.600 -0.190 0.000 0.988 364 E CA 1.004 57.204 56.400 -0.334 0.000 0.828 364 E CB -0.189 29.244 29.700 -0.445 0.000 0.763 364 E HN 0.611 nan 8.360 nan 0.000 0.478 365 F N -0.192 119.786 119.950 0.046 0.000 2.149 365 F HA 0.168 4.695 4.527 -0.000 0.000 0.294 365 F C 1.338 177.166 175.800 0.047 0.000 1.095 365 F CA 0.407 58.435 58.000 0.046 0.000 1.276 365 F CB 0.082 39.113 39.000 0.053 0.000 1.023 365 F HN -0.288 nan 8.300 nan 0.000 0.480 366 R N -0.501 120.122 120.500 0.205 0.000 2.854 366 R HA 0.553 4.893 4.340 -0.000 0.000 0.271 366 R C -0.807 175.540 176.300 0.079 0.000 0.996 366 R CA -0.566 55.615 56.100 0.135 0.000 0.961 366 R CB 2.056 32.444 30.300 0.146 0.000 1.182 366 R HN -0.140 nan 8.270 nan 0.000 0.479 367 T N -0.284 114.304 114.554 0.057 0.000 2.916 367 T HA 0.576 4.926 4.350 -0.000 0.000 0.305 367 T C -1.076 173.646 174.700 0.035 0.000 1.119 367 T CA -0.505 61.615 62.100 0.033 0.000 1.008 367 T CB 1.506 70.343 68.868 -0.053 0.000 1.129 367 T HN 0.663 nan 8.240 nan 0.000 0.480 368 A N 2.275 125.106 122.820 0.019 0.000 2.462 368 A HA 0.753 5.072 4.320 -0.000 0.000 0.243 368 A C 0.448 177.981 177.584 -0.086 0.000 1.076 368 A CA 0.102 52.061 52.037 -0.130 0.000 0.773 368 A CB -0.274 18.444 19.000 -0.471 0.000 1.010 368 A HN 1.402 nan 8.150 nan 0.000 0.493 369 A N 1.231 124.088 122.820 0.062 0.000 2.515 369 A HA 0.699 5.019 4.320 -0.000 0.000 0.296 369 A C -1.111 176.570 177.584 0.161 0.000 1.094 369 A CA -0.475 51.619 52.037 0.096 0.000 0.718 369 A CB 1.628 20.654 19.000 0.044 0.000 1.307 369 A HN 1.287 nan 8.150 nan 0.000 0.408 370 V N 1.759 121.734 119.914 0.100 0.000 2.380 370 V HA 0.465 4.584 4.120 -0.000 0.000 0.286 370 V C -0.495 175.529 176.094 -0.117 0.000 1.015 370 V CA -0.248 62.052 62.300 0.001 0.000 0.834 370 V CB 0.951 32.828 31.823 0.091 0.000 1.009 370 V HN 0.967 nan 8.190 nan 0.000 0.428 371 E N 2.285 122.339 120.200 -0.243 0.000 2.312 371 E HA 0.897 5.246 4.350 -0.000 0.000 0.267 371 E C 0.061 176.325 176.600 -0.559 0.000 0.894 371 E CA -0.610 55.615 56.400 -0.291 0.000 0.773 371 E CB 2.805 32.481 29.700 -0.041 0.000 1.241 371 E HN 0.873 nan 8.360 nan 0.000 0.432 372 G N 1.196 109.545 108.800 -0.752 0.000 2.349 372 G HA2 0.389 4.349 3.960 -0.000 0.000 0.294 372 G HA3 0.389 4.349 3.960 -0.000 0.000 0.294 372 G C -2.958 171.664 174.900 -0.463 0.000 1.380 372 G CA -0.817 43.734 45.100 -0.915 0.000 0.811 372 G HN 0.383 nan 8.290 nan 0.000 0.519 373 P HA 0.781 nan 4.420 nan 0.000 0.285 373 P C -1.443 175.653 177.300 -0.339 0.000 1.269 373 P CA -0.585 62.441 63.100 -0.124 0.000 0.844 373 P CB 1.263 33.087 31.700 0.206 0.000 1.094 374 F N -0.856 119.132 119.950 0.063 0.000 2.561 374 F HA 0.389 4.916 4.527 -0.000 0.000 0.321 374 F C 0.104 175.953 175.800 0.081 0.000 1.065 374 F CA -1.048 57.002 58.000 0.084 0.000 0.934 374 F CB 1.841 40.934 39.000 0.154 0.000 1.215 374 F HN -0.079 nan 8.300 nan 0.000 0.471 375 V N 1.664 121.722 119.914 0.241 0.000 2.364 375 V HA 0.416 4.536 4.120 -0.000 0.000 0.272 375 V C -0.469 175.692 176.094 0.112 0.000 1.036 375 V CA -0.268 62.119 62.300 0.146 0.000 0.880 375 V CB 0.962 32.842 31.823 0.095 0.000 0.991 375 V HN 0.794 nan 8.190 nan 0.000 0.460 376 T N 6.618 121.226 114.554 0.091 0.000 2.890 376 T HA 0.558 4.907 4.350 -0.000 0.000 0.295 376 T C -0.349 174.374 174.700 0.038 0.000 0.993 376 T CA -0.386 61.738 62.100 0.038 0.000 0.979 376 T CB 1.028 69.907 68.868 0.019 0.000 0.967 376 T HN 0.293 nan 8.240 nan 0.000 0.441 377 L N 2.663 123.900 121.223 0.022 0.000 2.399 377 L HA 0.375 4.715 4.340 -0.000 0.000 0.266 377 L C 0.254 177.135 176.870 0.018 0.000 1.114 377 L CA -0.435 54.419 54.840 0.023 0.000 0.804 377 L CB 0.400 42.469 42.059 0.017 0.000 1.146 377 L HN 0.686 nan 8.230 nan 0.000 0.451 378 D N 1.789 122.203 120.400 0.022 0.000 2.723 378 D HA -0.228 4.411 4.640 -0.000 0.000 0.236 378 D C 1.039 177.355 176.300 0.026 0.000 1.138 378 D CA 0.734 54.746 54.000 0.020 0.000 0.676 378 D CB -0.624 40.183 40.800 0.011 0.000 1.069 378 D HN 0.602 nan 8.370 nan 0.000 0.430 379 M N -0.388 119.233 119.600 0.035 0.000 2.213 379 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 379 M C 1.975 178.304 176.300 0.048 0.000 1.062 379 M CA 1.226 56.552 55.300 0.044 0.000 1.105 379 M CB -0.018 32.614 32.600 0.054 0.000 1.385 379 M HN -0.023 nan 8.290 nan 0.000 0.417 380 E N 0.590 120.816 120.200 0.043 0.000 2.204 380 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 380 E C 1.300 177.922 176.600 0.038 0.000 0.990 380 E CA 1.108 57.532 56.400 0.041 0.000 0.821 380 E CB -0.405 29.313 29.700 0.030 0.000 0.750 380 E HN 0.512 nan 8.360 nan 0.000 0.477 381 D N -0.179 120.241 120.400 0.032 0.000 2.264 381 D HA -0.086 4.554 4.640 -0.000 0.000 0.208 381 D C 1.775 178.102 176.300 0.045 0.000 0.966 381 D CA 0.441 54.458 54.000 0.029 0.000 0.864 381 D CB -0.351 40.460 40.800 0.017 0.000 0.933 381 D HN 0.197 nan 8.370 nan 0.000 0.499 382 c N 0.754 119.388 118.600 0.057 0.000 2.432 382 c HA 0.144 4.713 4.570 -0.000 0.000 0.280 382 c C 1.712 175.868 174.090 0.111 0.000 1.353 382 c CA 0.046 56.422 56.329 0.078 0.000 1.766 382 c CB -1.155 41.410 42.510 0.093 0.000 1.924 382 c HN 0.245 nan 8.230 nan 0.000 0.509 383 G N -1.458 107.407 108.800 0.108 0.000 2.569 383 G HA2 0.370 4.330 3.960 -0.000 0.000 0.249 383 G HA3 0.370 4.330 3.960 -0.000 0.000 0.249 383 G C -0.859 174.143 174.900 0.170 0.000 1.216 383 G CA -0.097 45.088 45.100 0.141 0.000 0.845 383 G HN 0.415 nan 8.290 nan 0.000 0.568 384 Y N 1.289 121.633 120.300 0.073 0.000 2.299 384 Y HA 0.365 4.915 4.550 -0.000 0.000 0.326 384 Y C 0.377 176.300 175.900 0.038 0.000 1.164 384 Y CA -0.867 57.271 58.100 0.063 0.000 1.234 384 Y CB 0.805 39.290 38.460 0.041 0.000 1.219 384 Y HN 0.450 nan 8.280 nan 0.000 0.497 446 S N -0.102 115.447 115.700 -0.252 0.000 2.594 446 S HA 0.739 5.209 4.470 -0.000 0.000 0.296 446 S C -1.567 172.816 174.600 -0.361 0.000 1.124 446 S CA -0.594 57.510 58.200 -0.160 0.000 1.011 446 S CB 1.500 64.663 63.200 -0.063 0.000 1.016 446 S HN 0.474 nan 8.310 nan 0.000 0.485 447 F N 2.678 122.652 119.950 0.040 0.000 2.371 447 F HA 0.428 4.954 4.527 -0.000 0.000 0.343 447 F C 0.574 176.403 175.800 0.048 0.000 1.150 447 F CA -0.856 57.174 58.000 0.050 0.000 1.220 447 F CB 0.930 39.970 39.000 0.065 0.000 1.475 447 F HN 0.554 nan 8.300 nan 0.000 0.521 448 V N 0.000 119.993 119.914 0.132 0.000 2.409 448 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 448 V CA 0.000 62.359 62.300 0.098 0.000 1.235 448 V CB 0.000 31.852 31.823 0.048 0.000 1.184 448 V HN 0.000 nan 8.190 nan 0.000 0.556