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 2b3b_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKLEIFSWWA GDEGPALEAL IRLYKQKYPG VEVINATVTG GAGVNARAVL DATA SEQUENCE KTRMLGGDPP DTFQVHAGME LIGTWVVANR MEDLSALFRQ EGWLQAFPKG DATA SEQUENCE LIDLISYKGG IWSVPVNIHR SNVMWYLPAK LKGWGVNPPR TWDKFLATCQ DATA SEQUENCE TLKQKGLEAP LALGENWTQQ HLWESVALAV LGPDDWNNLW NGKLKFTDPK DATA SEQUENCE AVRAWEVFGR VLDCANKDAA GLSWQQAVDR VVQGKAAFNI MGDWAAGYMT DATA SEQUENCE TTLKLKPGTD FAWAPSPGTQ GVFMMLSDSF GLPKGAKNRQ NAINWLRLVG DATA SEQUENCE SKEGQDTSNP LKGSIAARLD SDPSKYNAYG QSAMRDWRSN RIVGSLVHGA DATA SEQUENCE VAPESFMSQF GTVMEIFLQT RNPQAAANAA QAIADQVGLG RL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.321 176.300 0.036 0.000 1.140 1 M CA 0.000 55.320 55.300 0.034 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 K N 1.371 121.785 120.400 0.025 0.000 2.466 2 K HA 0.920 5.240 4.320 -0.000 0.000 0.260 2 K C -1.643 174.950 176.600 -0.012 0.000 1.011 2 K CA -1.052 55.242 56.287 0.011 0.000 0.871 2 K CB 3.165 35.662 32.500 -0.005 0.000 1.404 2 K HN 0.490 nan 8.250 nan 0.000 0.450 3 L N 0.938 122.126 121.223 -0.058 0.000 2.516 3 L HA 0.328 4.668 4.340 -0.000 0.000 0.267 3 L C -1.487 175.267 176.870 -0.194 0.000 0.957 3 L CA -0.095 54.654 54.840 -0.152 0.000 0.860 3 L CB 2.004 43.903 42.059 -0.267 0.000 1.265 3 L HN 0.709 nan 8.230 nan 0.000 0.403 4 E N 5.511 125.610 120.200 -0.168 0.000 2.113 4 E HA 0.473 4.822 4.350 -0.000 0.000 0.273 4 E C -1.228 175.264 176.600 -0.180 0.000 0.924 4 E CA -0.527 55.789 56.400 -0.140 0.000 0.764 4 E CB 0.953 30.621 29.700 -0.054 0.000 1.104 4 E HN 0.681 nan 8.360 nan 0.000 0.406 5 I N 5.144 125.564 120.570 -0.251 0.000 2.336 5 I HA 0.278 4.448 4.170 -0.000 0.000 0.292 5 I C -0.547 175.568 176.117 -0.003 0.000 0.991 5 I CA -0.743 60.397 61.300 -0.268 0.000 1.227 5 I CB 0.883 38.516 38.000 -0.612 0.000 1.366 5 I HN 0.495 nan 8.210 nan 0.000 0.466 6 F N 6.940 126.885 119.950 -0.008 0.000 2.444 6 F HA 0.639 5.166 4.527 -0.000 0.000 0.342 6 F C 0.135 175.935 175.800 -0.001 0.000 1.121 6 F CA 0.038 58.045 58.000 0.013 0.000 0.997 6 F CB 1.171 40.189 39.000 0.030 0.000 1.130 6 F HN 0.579 nan 8.300 nan 0.000 0.454 7 S N 3.457 118.890 115.700 -0.446 0.000 2.672 7 S HA 0.345 4.815 4.470 -0.000 0.000 0.271 7 S C -1.162 173.154 174.600 -0.473 0.000 1.171 7 S CA -0.724 57.148 58.200 -0.546 0.000 0.817 7 S CB 0.584 63.378 63.200 -0.677 0.000 1.150 7 S HN 0.891 nan 8.310 nan 0.000 0.478 8 W N -0.569 120.355 121.300 -0.627 0.000 2.862 8 W HA 0.621 5.281 4.660 -0.000 0.000 0.426 8 W C -0.803 175.626 176.519 -0.150 0.000 0.950 8 W CA -1.174 55.944 57.345 -0.377 0.000 2.150 8 W CB 0.079 29.350 29.460 -0.315 0.000 1.161 8 W HN 0.462 nan 8.180 nan 0.000 0.696 9 W N 2.952 124.196 121.300 -0.093 0.000 1.694 9 W HA 0.628 5.288 4.660 -0.000 0.000 0.425 9 W C 0.159 176.684 176.519 0.011 0.000 0.615 9 W CA -1.824 55.490 57.345 -0.050 0.000 2.237 9 W CB -1.087 28.327 29.460 -0.077 0.000 1.478 9 W HN 0.046 nan 8.180 nan 0.000 0.427 10 A N 0.338 123.287 122.820 0.214 0.000 2.271 10 A HA 0.775 5.095 4.320 -0.000 0.000 0.288 10 A C 1.165 178.827 177.584 0.129 0.000 1.094 10 A CA 0.596 52.711 52.037 0.131 0.000 0.828 10 A CB 0.123 19.172 19.000 0.082 0.000 1.091 10 A HN 0.754 nan 8.150 nan 0.000 0.493 11 G N 1.353 110.205 108.800 0.087 0.000 2.611 11 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.301 11 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.301 11 G C 0.459 175.412 174.900 0.088 0.000 1.233 11 G CA 1.502 46.644 45.100 0.070 0.000 0.993 11 G HN 1.694 nan 8.290 nan 0.000 0.553 12 D N 0.774 121.224 120.400 0.083 0.000 2.392 12 D HA 0.064 4.704 4.640 -0.000 0.000 0.228 12 D C 1.702 178.104 176.300 0.170 0.000 1.003 12 D CA 1.689 55.763 54.000 0.123 0.000 0.917 12 D CB -0.156 40.740 40.800 0.159 0.000 0.890 12 D HN 0.693 nan 8.370 nan 0.000 0.532 13 E N -0.160 120.152 120.200 0.187 0.000 2.478 13 E HA 0.085 4.434 4.350 -0.000 0.000 0.194 13 E C 1.937 178.616 176.600 0.132 0.000 1.045 13 E CA 0.383 56.914 56.400 0.218 0.000 0.868 13 E CB 0.311 30.219 29.700 0.346 0.000 0.885 13 E HN 0.535 nan 8.360 nan 0.000 0.505 14 G N 2.271 111.150 108.800 0.132 0.000 2.551 14 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.216 14 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.216 14 G C -0.945 173.986 174.900 0.052 0.000 1.137 14 G CA -0.039 45.128 45.100 0.112 0.000 0.798 14 G HN 0.175 nan 8.290 nan 0.000 0.536 15 P HA -0.194 nan 4.420 nan 0.000 0.216 15 P C 2.304 179.598 177.300 -0.011 0.000 1.157 15 P CA 2.250 65.361 63.100 0.019 0.000 0.880 15 P CB -0.059 31.655 31.700 0.022 0.000 0.791 16 A N -0.839 121.941 122.820 -0.066 0.000 1.865 16 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 16 A C 2.188 179.724 177.584 -0.080 0.000 1.191 16 A CA 1.854 53.822 52.037 -0.115 0.000 0.623 16 A CB -1.732 17.130 19.000 -0.229 0.000 0.826 16 A HN 0.184 nan 8.150 nan 0.000 0.444 17 L N 0.130 121.307 121.223 -0.076 0.000 2.012 17 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 17 L C 2.153 179.110 176.870 0.146 0.000 1.073 17 L CA 2.629 57.536 54.840 0.113 0.000 0.748 17 L CB -0.829 41.406 42.059 0.294 0.000 0.891 17 L HN 0.543 nan 8.230 nan 0.000 0.431 18 E N -0.348 119.910 120.200 0.096 0.000 2.118 18 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 18 E C 2.182 178.834 176.600 0.087 0.000 0.992 18 E CA 1.318 57.769 56.400 0.085 0.000 0.804 18 E CB -0.371 29.366 29.700 0.062 0.000 0.741 18 E HN 0.683 nan 8.360 nan 0.000 0.458 19 A N 0.780 123.637 122.820 0.062 0.000 1.898 19 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 19 A C 2.122 179.757 177.584 0.085 0.000 1.181 19 A CA 0.938 53.007 52.037 0.053 0.000 0.620 19 A CB -0.442 18.567 19.000 0.014 0.000 0.819 19 A HN 0.207 nan 8.150 nan 0.000 0.442 20 L N -0.034 121.256 121.223 0.111 0.000 2.093 20 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 20 L C 2.224 179.288 176.870 0.324 0.000 1.085 20 L CA 1.501 56.434 54.840 0.156 0.000 0.755 20 L CB -0.418 41.719 42.059 0.131 0.000 0.904 20 L HN 0.440 nan 8.230 nan 0.000 0.435 21 I N -1.020 119.750 120.570 0.334 0.000 2.179 21 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 21 I C 2.606 178.888 176.117 0.275 0.000 1.088 21 I CA 1.110 62.595 61.300 0.308 0.000 1.357 21 I CB -0.348 37.729 38.000 0.128 0.000 1.051 21 I HN 0.235 nan 8.210 nan 0.000 0.409 22 R N 0.208 120.815 120.500 0.179 0.000 2.096 22 R HA -0.230 4.110 4.340 -0.000 0.000 0.240 22 R C 2.304 178.690 176.300 0.143 0.000 1.139 22 R CA 1.534 57.715 56.100 0.135 0.000 0.952 22 R CB -0.658 29.693 30.300 0.084 0.000 0.854 22 R HN 0.243 nan 8.270 nan 0.000 0.436 23 L N 0.080 121.393 121.223 0.149 0.000 2.046 23 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 23 L C 2.100 179.073 176.870 0.171 0.000 1.077 23 L CA 1.634 56.544 54.840 0.117 0.000 0.747 23 L CB -0.751 41.360 42.059 0.087 0.000 0.896 23 L HN 0.123 nan 8.230 nan 0.000 0.432 24 Y N 0.499 120.912 120.300 0.188 0.000 2.128 24 Y HA -0.303 4.246 4.550 -0.000 0.000 0.284 24 Y C 2.463 178.514 175.900 0.251 0.000 1.154 24 Y CA 2.263 60.546 58.100 0.305 0.000 1.149 24 Y CB -0.141 38.592 38.460 0.454 0.000 0.976 24 Y HN 0.184 nan 8.280 nan 0.000 0.505 25 K N -0.235 120.326 120.400 0.268 0.000 2.097 25 K HA -0.209 4.111 4.320 -0.000 0.000 0.205 25 K C 2.112 178.713 176.600 0.002 0.000 1.050 25 K CA 1.707 58.075 56.287 0.134 0.000 0.938 25 K CB -0.196 32.401 32.500 0.162 0.000 0.718 25 K HN 0.501 nan 8.250 nan 0.000 0.442 26 Q N 0.675 120.469 119.800 -0.009 0.000 2.096 26 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 26 Q C 1.726 177.622 176.000 -0.173 0.000 0.982 26 Q CA 1.476 57.239 55.803 -0.067 0.000 0.850 26 Q CB 0.021 28.731 28.738 -0.047 0.000 0.901 26 Q HN 0.238 nan 8.270 nan 0.000 0.422 27 K N -0.603 119.624 120.400 -0.288 0.000 2.305 27 K HA -0.028 4.292 4.320 -0.000 0.000 0.199 27 K C -0.200 175.787 176.600 -1.022 0.000 1.047 27 K CA 0.612 56.529 56.287 -0.617 0.000 0.976 27 K CB 0.494 32.568 32.500 -0.710 0.000 0.765 27 K HN 0.172 nan 8.250 nan 0.000 0.474 28 Y N 0.060 120.168 120.300 -0.321 0.000 2.535 28 Y HA 0.210 4.760 4.550 -0.000 0.000 0.351 28 Y C -2.129 173.664 175.900 -0.179 0.000 1.050 28 Y CA -2.345 55.567 58.100 -0.313 0.000 1.168 28 Y CB 0.938 39.051 38.460 -0.580 0.000 1.116 28 Y HN -0.025 nan 8.280 nan 0.000 0.654 29 P HA -0.078 nan 4.420 nan 0.000 0.222 29 P C 1.313 178.635 177.300 0.038 0.000 1.147 29 P CA 1.350 64.451 63.100 0.002 0.000 0.790 29 P CB 0.405 32.093 31.700 -0.021 0.000 0.780 30 G N -0.734 108.097 108.800 0.052 0.000 3.707 30 G HA2 0.306 4.266 3.960 -0.000 0.000 0.286 30 G HA3 0.306 4.266 3.960 -0.000 0.000 0.286 30 G C -0.307 174.637 174.900 0.073 0.000 1.112 30 G CA 0.004 45.136 45.100 0.053 0.000 0.861 30 G HN 0.095 nan 8.290 nan 0.000 0.534 31 V N 0.776 120.755 119.914 0.108 0.000 2.357 31 V HA 0.280 4.400 4.120 -0.000 0.000 0.284 31 V C -0.039 176.134 176.094 0.133 0.000 1.018 31 V CA -1.131 61.252 62.300 0.138 0.000 0.841 31 V CB 1.802 33.768 31.823 0.239 0.000 0.991 31 V HN 0.399 nan 8.190 nan 0.000 0.437 32 E N 4.010 124.258 120.200 0.080 0.000 2.257 32 E HA 0.308 4.658 4.350 -0.000 0.000 0.278 32 E C -1.106 175.513 176.600 0.031 0.000 1.049 32 E CA -0.307 56.125 56.400 0.053 0.000 0.876 32 E CB 1.292 31.009 29.700 0.029 0.000 1.035 32 E HN 0.503 nan 8.360 nan 0.000 0.419 33 V N 6.631 126.556 119.914 0.018 0.000 2.370 33 V HA 0.234 4.354 4.120 -0.000 0.000 0.279 33 V C -0.058 175.991 176.094 -0.074 0.000 1.029 33 V CA -0.649 61.612 62.300 -0.065 0.000 0.870 33 V CB 1.018 32.789 31.823 -0.087 0.000 0.984 33 V HN 0.566 nan 8.190 nan 0.000 0.451 34 I N 4.622 125.131 120.570 -0.102 0.000 2.297 34 I HA 0.277 4.447 4.170 -0.000 0.000 0.291 34 I C 0.513 176.563 176.117 -0.111 0.000 1.033 34 I CA 0.034 61.287 61.300 -0.078 0.000 1.253 34 I CB 0.756 38.724 38.000 -0.054 0.000 1.396 34 I HN 0.467 nan 8.210 nan 0.000 0.476 35 N N 6.030 124.678 118.700 -0.086 0.000 2.663 35 N HA 0.308 5.047 4.740 -0.000 0.000 0.250 35 N C -0.413 175.057 175.510 -0.066 0.000 1.129 35 N CA -0.231 52.768 53.050 -0.085 0.000 0.995 35 N CB 0.559 39.018 38.487 -0.046 0.000 1.324 35 N HN 0.649 nan 8.380 nan 0.000 0.512 36 A N 2.883 125.657 122.820 -0.076 0.000 2.527 36 A HA 0.365 4.685 4.320 -0.000 0.000 0.313 36 A C 0.453 177.897 177.584 -0.234 0.000 1.410 36 A CA -0.556 51.431 52.037 -0.084 0.000 1.060 36 A CB -0.581 18.435 19.000 0.027 0.000 1.137 36 A HN 0.596 nan 8.150 nan 0.000 0.542 37 T N -0.770 113.668 114.554 -0.194 0.000 2.895 37 T HA 0.635 4.985 4.350 -0.000 0.000 0.283 37 T C -0.438 174.111 174.700 -0.252 0.000 1.014 37 T CA -0.710 61.241 62.100 -0.247 0.000 1.037 37 T CB 1.571 70.385 68.868 -0.089 0.000 1.006 37 T HN 0.374 nan 8.240 nan 0.000 0.468 38 V N 2.865 122.605 119.914 -0.291 0.000 2.349 38 V HA 0.323 4.443 4.120 -0.000 0.000 0.284 38 V C 0.507 176.571 176.094 -0.050 0.000 1.014 38 V CA -0.899 61.308 62.300 -0.155 0.000 0.826 38 V CB 1.134 32.862 31.823 -0.158 0.000 1.009 38 V HN 1.141 nan 8.190 nan 0.000 0.431 39 T N 3.680 118.226 114.554 -0.014 0.000 2.908 39 T HA 0.474 4.824 4.350 -0.000 0.000 0.301 39 T C 0.555 175.258 174.700 0.004 0.000 1.019 39 T CA 0.699 62.815 62.100 0.026 0.000 1.152 39 T CB 0.561 69.443 68.868 0.024 0.000 0.966 39 T HN 1.272 nan 8.240 nan 0.000 0.540 40 G N 1.760 110.569 108.800 0.016 0.000 1.875 40 G HA2 0.449 4.409 3.960 -0.000 0.000 0.218 40 G HA3 0.449 4.409 3.960 -0.000 0.000 0.218 40 G C -0.049 174.771 174.900 -0.134 0.000 1.648 40 G CA -0.592 44.480 45.100 -0.047 0.000 0.941 40 G HN 0.891 nan 8.290 nan 0.000 0.689 41 G N 0.493 109.324 108.800 0.053 0.000 2.391 41 G HA2 0.527 4.486 3.960 -0.000 0.000 0.234 41 G HA3 0.527 4.486 3.960 -0.000 0.000 0.234 41 G C 1.382 175.792 174.900 -0.816 0.000 1.284 41 G CA 1.558 46.674 45.100 0.026 0.000 0.873 41 G HN 2.462 nan 8.290 nan 0.000 0.549 42 A N 0.712 122.928 122.820 -1.006 0.000 2.945 42 A HA 0.163 4.483 4.320 -0.000 0.000 0.263 42 A C 2.317 179.034 177.584 -1.445 0.000 1.293 42 A CA 1.892 53.239 52.037 -1.150 0.000 0.944 42 A CB -1.422 16.537 19.000 -1.736 0.000 1.093 42 A HN 3.034 nan 8.150 nan 0.000 0.786 43 G N -3.762 103.722 108.800 -2.193 0.000 2.143 43 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.249 43 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.249 43 G C 1.161 175.442 174.900 -1.032 0.000 0.981 43 G CA 1.001 44.627 45.100 -2.457 0.000 0.665 43 G HN 1.580 nan 8.290 nan 0.000 0.528 44 V N 0.638 120.130 119.914 -0.704 0.000 2.295 44 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 44 V C 2.638 178.587 176.094 -0.242 0.000 1.049 44 V CA 2.447 64.523 62.300 -0.374 0.000 1.024 44 V CB -0.424 31.255 31.823 -0.240 0.000 0.648 44 V HN 0.511 nan 8.190 nan 0.000 0.447 45 N N 0.605 119.179 118.700 -0.210 0.000 2.142 45 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 45 N C 1.940 177.410 175.510 -0.066 0.000 1.023 45 N CA 1.619 54.604 53.050 -0.108 0.000 0.852 45 N CB -0.573 37.869 38.487 -0.074 0.000 0.998 45 N HN 0.484 nan 8.380 nan 0.000 0.424 46 A N 2.024 124.780 122.820 -0.106 0.000 1.917 46 A HA -0.173 4.146 4.320 -0.000 0.000 0.219 46 A C 2.229 179.915 177.584 0.170 0.000 1.182 46 A CA 1.351 53.432 52.037 0.073 0.000 0.633 46 A CB -0.462 18.607 19.000 0.114 0.000 0.819 46 A HN 0.296 nan 8.150 nan 0.000 0.448 47 R N -0.538 119.958 120.500 -0.008 0.000 2.096 47 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 47 R C 2.470 178.779 176.300 0.016 0.000 1.127 47 R CA 1.177 57.287 56.100 0.017 0.000 0.968 47 R CB -0.520 29.750 30.300 -0.050 0.000 0.861 47 R HN 0.509 nan 8.270 nan 0.000 0.440 48 A N 1.023 123.837 122.820 -0.009 0.000 1.898 48 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 48 A C 2.422 180.014 177.584 0.013 0.000 1.181 48 A CA 1.317 53.348 52.037 -0.010 0.000 0.620 48 A CB -0.533 18.454 19.000 -0.023 0.000 0.819 48 A HN 0.099 nan 8.150 nan 0.000 0.442 49 V N -0.321 119.628 119.914 0.060 0.000 2.295 49 V HA -0.236 3.883 4.120 -0.000 0.000 0.246 49 V C 2.496 178.585 176.094 -0.008 0.000 1.049 49 V CA 1.989 64.342 62.300 0.088 0.000 1.024 49 V CB -0.816 31.142 31.823 0.224 0.000 0.648 49 V HN 0.564 nan 8.190 nan 0.000 0.447 50 L N 0.276 121.448 121.223 -0.084 0.000 2.083 50 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 50 L C 2.444 179.190 176.870 -0.206 0.000 1.083 50 L CA 2.166 56.743 54.840 -0.438 0.000 0.752 50 L CB -0.748 40.910 42.059 -0.669 0.000 0.899 50 L HN 0.282 nan 8.230 nan 0.000 0.433 51 K N -1.418 118.965 120.400 -0.028 0.000 2.032 51 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 51 K C 1.915 178.510 176.600 -0.009 0.000 1.048 51 K CA 2.126 58.438 56.287 0.042 0.000 0.927 51 K CB -0.280 32.225 32.500 0.008 0.000 0.712 51 K HN 0.360 nan 8.250 nan 0.000 0.441 52 T N 0.718 115.253 114.554 -0.032 0.000 2.746 52 T HA -0.103 4.246 4.350 -0.000 0.000 0.267 52 T C 1.808 176.478 174.700 -0.050 0.000 1.039 52 T CA 1.309 63.390 62.100 -0.031 0.000 1.142 52 T CB -0.139 68.717 68.868 -0.021 0.000 0.866 52 T HN 0.310 nan 8.240 nan 0.000 0.444 53 R N 0.286 120.729 120.500 -0.095 0.000 2.081 53 R HA 0.026 4.366 4.340 -0.000 0.000 0.235 53 R C 2.524 178.753 176.300 -0.119 0.000 1.131 53 R CA 1.140 57.165 56.100 -0.124 0.000 0.960 53 R CB -0.240 29.930 30.300 -0.217 0.000 0.856 53 R HN 0.335 nan 8.270 nan 0.000 0.436 54 M N 0.424 119.947 119.600 -0.129 0.000 2.156 54 M HA -0.087 4.392 4.480 -0.000 0.000 0.264 54 M C 2.308 178.605 176.300 -0.004 0.000 1.067 54 M CA 1.445 56.699 55.300 -0.076 0.000 1.131 54 M CB -0.667 31.925 32.600 -0.013 0.000 1.368 54 M HN 0.161 nan 8.290 nan 0.000 0.416 55 L N -0.750 120.477 121.223 0.005 0.000 2.201 55 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 55 L C 2.084 178.951 176.870 -0.006 0.000 1.105 55 L CA 0.947 55.791 54.840 0.006 0.000 0.775 55 L CB -0.935 41.124 42.059 -0.000 0.000 0.913 55 L HN 0.371 nan 8.230 nan 0.000 0.440 56 G N -1.100 107.690 108.800 -0.017 0.000 3.314 56 G HA2 0.271 4.231 3.960 -0.000 0.000 0.238 56 G HA3 0.271 4.231 3.960 -0.000 0.000 0.238 56 G C 1.161 176.051 174.900 -0.017 0.000 1.184 56 G CA 0.303 45.393 45.100 -0.016 0.000 0.806 56 G HN 0.452 nan 8.290 nan 0.000 0.536 57 G N 0.478 109.268 108.800 -0.016 0.000 2.249 57 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.273 57 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.273 57 G C 0.142 175.029 174.900 -0.023 0.000 1.036 57 G CA 0.481 45.574 45.100 -0.013 0.000 0.824 57 G HN 0.547 nan 8.290 nan 0.000 0.504 58 D N 0.255 120.630 120.400 -0.043 0.000 2.749 58 D HA 0.347 4.987 4.640 -0.000 0.000 0.338 58 D C -1.742 174.506 176.300 -0.087 0.000 1.236 58 D CA -1.682 52.288 54.000 -0.050 0.000 0.845 58 D CB 0.975 41.748 40.800 -0.043 0.000 1.080 58 D HN 0.279 nan 8.370 nan 0.000 0.497 59 P HA 0.209 nan 4.420 nan 0.000 0.271 59 P C -2.494 174.752 177.300 -0.090 0.000 1.218 59 P CA -1.062 61.964 63.100 -0.125 0.000 0.780 59 P CB 0.522 32.180 31.700 -0.070 0.000 0.901 60 P HA 0.105 nan 4.420 nan 0.000 0.277 60 P C 0.278 177.580 177.300 0.004 0.000 1.276 60 P CA -0.006 63.078 63.100 -0.027 0.000 0.788 60 P CB 0.753 32.466 31.700 0.022 0.000 1.114 61 D N -1.810 118.585 120.400 -0.009 0.000 2.234 61 D HA 0.010 4.650 4.640 -0.000 0.000 0.205 61 D C 0.668 176.967 176.300 -0.001 0.000 0.962 61 D CA 1.527 55.514 54.000 -0.021 0.000 0.855 61 D CB 0.253 41.011 40.800 -0.070 0.000 0.951 61 D HN 0.334 nan 8.370 nan 0.000 0.500 62 T N -0.815 113.753 114.554 0.023 0.000 2.885 62 T HA 0.461 4.811 4.350 -0.000 0.000 0.322 62 T C -1.986 172.865 174.700 0.251 0.000 1.387 62 T CA -0.881 61.264 62.100 0.076 0.000 1.041 62 T CB 0.869 69.803 68.868 0.110 0.000 1.287 62 T HN -0.024 nan 8.240 nan 0.000 0.491 63 F N 1.351 121.415 119.950 0.191 0.000 2.578 63 F HA 0.647 5.174 4.527 -0.000 0.000 0.311 63 F C -0.237 175.471 175.800 -0.153 0.000 1.094 63 F CA -1.258 56.815 58.000 0.121 0.000 0.923 63 F CB 1.550 40.492 39.000 -0.098 0.000 1.230 63 F HN 0.599 nan 8.300 nan 0.000 0.450 64 Q N 2.515 122.148 119.800 -0.278 0.000 2.263 64 Q HA 0.401 4.741 4.340 -0.000 0.000 0.289 64 Q C -1.494 174.300 176.000 -0.343 0.000 1.061 64 Q CA 0.110 55.361 55.803 -0.921 0.000 0.927 64 Q CB 0.909 28.885 28.738 -1.271 0.000 1.154 64 Q HN 0.856 nan 8.270 nan 0.000 0.378 65 V N 4.882 124.560 119.914 -0.393 0.000 2.891 65 V HA 0.252 4.372 4.120 -0.000 0.000 0.304 65 V C -1.559 174.490 176.094 -0.075 0.000 1.171 65 V CA -0.685 61.576 62.300 -0.065 0.000 0.943 65 V CB 2.134 34.057 31.823 0.166 0.000 1.037 65 V HN 1.006 nan 8.190 nan 0.000 0.427 66 H N 4.314 123.471 119.070 0.145 0.000 2.848 66 H HA 0.584 5.139 4.556 -0.000 0.000 0.317 66 H C 0.789 176.178 175.328 0.101 0.000 1.046 66 H CA 0.405 56.528 56.048 0.125 0.000 1.470 66 H CB 1.297 31.165 29.762 0.176 0.000 1.483 66 H HN 0.993 nan 8.280 nan 0.000 0.548 67 A N 3.457 126.401 122.820 0.207 0.000 2.531 67 A HA 0.439 4.759 4.320 -0.000 0.000 0.236 67 A C 1.191 178.855 177.584 0.132 0.000 1.062 67 A CA 0.723 52.843 52.037 0.138 0.000 0.760 67 A CB -0.472 18.584 19.000 0.094 0.000 0.995 67 A HN 1.058 nan 8.150 nan 0.000 0.501 68 G N 0.770 109.631 108.800 0.101 0.000 2.384 68 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.200 68 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.200 68 G C 0.616 175.534 174.900 0.029 0.000 1.205 68 G CA 0.019 45.157 45.100 0.064 0.000 1.116 68 G HN 0.637 nan 8.290 nan 0.000 0.547 69 M N 0.728 120.321 119.600 -0.011 0.000 2.279 69 M HA 0.023 4.503 4.480 -0.000 0.000 0.264 69 M C 2.115 178.387 176.300 -0.047 0.000 1.062 69 M CA 2.223 57.489 55.300 -0.055 0.000 1.099 69 M CB -1.307 31.245 32.600 -0.080 0.000 1.394 69 M HN 0.760 nan 8.290 nan 0.000 0.426 70 E N 0.618 120.828 120.200 0.016 0.000 2.017 70 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 70 E C 2.047 178.689 176.600 0.070 0.000 0.997 70 E CA 1.294 57.725 56.400 0.053 0.000 0.804 70 E CB -0.133 29.670 29.700 0.172 0.000 0.757 70 E HN 0.285 nan 8.360 nan 0.000 0.448 71 L N 1.194 122.505 121.223 0.146 0.000 1.978 71 L HA -0.243 4.097 4.340 -0.000 0.000 0.218 71 L C 2.259 179.163 176.870 0.056 0.000 1.075 71 L CA 1.830 56.792 54.840 0.203 0.000 0.767 71 L CB -0.647 41.519 42.059 0.177 0.000 0.890 71 L HN 0.286 nan 8.230 nan 0.000 0.434 72 I N 0.027 120.553 120.570 -0.074 0.000 2.202 72 I HA -0.139 4.030 4.170 -0.000 0.000 0.242 72 I C 2.609 178.510 176.117 -0.360 0.000 1.091 72 I CA 1.544 62.670 61.300 -0.289 0.000 1.368 72 I CB -2.382 35.393 38.000 -0.375 0.000 1.058 72 I HN 0.444 nan 8.210 nan 0.000 0.410 73 G N -0.468 108.167 108.800 -0.275 0.000 2.471 73 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.219 73 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.219 73 G C 1.612 176.338 174.900 -0.290 0.000 1.125 73 G CA 1.211 46.154 45.100 -0.262 0.000 0.775 73 G HN 0.371 nan 8.290 nan 0.000 0.548 74 T N -0.854 113.482 114.554 -0.362 0.000 3.082 74 T HA 0.032 4.382 4.350 -0.000 0.000 0.235 74 T C 1.936 176.216 174.700 -0.700 0.000 0.991 74 T CA 0.430 62.146 62.100 -0.641 0.000 1.220 74 T CB -0.141 68.192 68.868 -0.892 0.000 0.909 74 T HN 0.464 nan 8.240 nan 0.000 0.424 75 W N 0.889 122.155 121.300 -0.058 0.000 2.525 75 W HA 0.153 4.813 4.660 -0.000 0.000 0.288 75 W C 2.340 178.789 176.519 -0.115 0.000 1.200 75 W CA -0.101 57.231 57.345 -0.022 0.000 1.349 75 W CB -0.478 29.064 29.460 0.137 0.000 1.102 75 W HN -0.035 nan 8.180 nan 0.000 0.558 76 V N -0.113 119.761 119.914 -0.066 0.000 2.346 76 V HA -0.223 3.896 4.120 -0.000 0.000 0.244 76 V C 1.889 177.791 176.094 -0.320 0.000 1.037 76 V CA 1.277 63.346 62.300 -0.385 0.000 1.029 76 V CB -1.075 30.287 31.823 -0.768 0.000 0.663 76 V HN -0.008 nan 8.190 nan 0.000 0.454 77 V N 0.676 120.423 119.914 -0.278 0.000 2.469 77 V HA -0.212 3.908 4.120 -0.000 0.000 0.251 77 V C 2.471 178.503 176.094 -0.103 0.000 1.064 77 V CA 1.858 64.056 62.300 -0.169 0.000 1.066 77 V CB -0.965 30.743 31.823 -0.192 0.000 0.667 77 V HN 0.556 nan 8.190 nan 0.000 0.461 78 A N -0.193 122.567 122.820 -0.101 0.000 2.235 78 A HA 0.016 4.336 4.320 -0.000 0.000 0.208 78 A C 1.260 178.851 177.584 0.011 0.000 1.172 78 A CA 0.771 52.781 52.037 -0.045 0.000 0.786 78 A CB -0.727 18.242 19.000 -0.052 0.000 0.804 78 A HN 0.666 nan 8.150 nan 0.000 0.479 79 N N -1.330 117.364 118.700 -0.009 0.000 2.725 79 N HA -0.167 4.572 4.740 -0.000 0.000 0.249 79 N C 0.563 176.125 175.510 0.087 0.000 1.103 79 N CA 1.006 54.070 53.050 0.023 0.000 0.707 79 N CB -0.731 37.780 38.487 0.039 0.000 1.043 79 N HN 0.475 nan 8.380 nan 0.000 0.553 80 R N -0.903 119.678 120.500 0.136 0.000 2.312 80 R HA 0.230 4.570 4.340 -0.000 0.000 0.205 80 R C 0.314 176.733 176.300 0.198 0.000 0.904 80 R CA 0.458 56.675 56.100 0.194 0.000 1.052 80 R CB 0.164 30.662 30.300 0.330 0.000 1.014 80 R HN 0.307 nan 8.270 nan 0.000 0.503 81 M N 0.676 120.403 119.600 0.211 0.000 2.508 81 M HA 0.334 4.814 4.480 -0.000 0.000 0.327 81 M C 0.029 176.567 176.300 0.398 0.000 1.160 81 M CA -0.768 54.700 55.300 0.280 0.000 0.980 81 M CB 1.710 34.508 32.600 0.330 0.000 1.693 81 M HN -0.143 nan 8.290 nan 0.000 0.452 82 E N 1.142 121.542 120.200 0.333 0.000 2.331 82 E HA 0.103 4.452 4.350 -0.000 0.000 0.272 82 E C -0.833 175.932 176.600 0.276 0.000 1.036 82 E CA -0.434 56.144 56.400 0.295 0.000 0.864 82 E CB 1.031 30.829 29.700 0.164 0.000 1.035 82 E HN 0.392 nan 8.360 nan 0.000 0.408 83 D N 2.620 123.043 120.400 0.039 0.000 2.390 83 D HA 0.010 4.650 4.640 -0.000 0.000 0.249 83 D C 0.144 176.320 176.300 -0.207 0.000 1.144 83 D CA 0.165 53.862 54.000 -0.505 0.000 0.880 83 D CB 0.701 41.171 40.800 -0.550 0.000 1.182 83 D HN 0.360 nan 8.370 nan 0.000 0.451 84 L N 2.736 123.842 121.223 -0.196 0.000 2.769 84 L HA 0.100 4.440 4.340 -0.000 0.000 0.240 84 L C 2.074 179.022 176.870 0.131 0.000 1.163 84 L CA -0.313 54.574 54.840 0.078 0.000 0.962 84 L CB 0.001 42.256 42.059 0.327 0.000 1.258 84 L HN 0.266 nan 8.230 nan 0.000 0.513 85 S N 1.454 117.098 115.700 -0.094 0.000 2.368 85 S HA -0.315 4.154 4.470 -0.000 0.000 0.226 85 S C 2.300 176.937 174.600 0.062 0.000 1.044 85 S CA 2.006 60.172 58.200 -0.057 0.000 1.062 85 S CB -0.149 62.971 63.200 -0.134 0.000 0.931 85 S HN 0.596 nan 8.310 nan 0.000 0.440 86 A N 0.946 123.778 122.820 0.020 0.000 1.902 86 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 86 A C 2.136 179.722 177.584 0.002 0.000 1.181 86 A CA 1.533 53.575 52.037 0.008 0.000 0.623 86 A CB -0.724 18.271 19.000 -0.009 0.000 0.818 86 A HN 0.414 nan 8.150 nan 0.000 0.443 87 L N -1.505 119.736 121.223 0.031 0.000 2.012 87 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 87 L C 2.198 178.934 176.870 -0.224 0.000 1.073 87 L CA 1.920 56.714 54.840 -0.077 0.000 0.748 87 L CB -0.784 41.284 42.059 0.015 0.000 0.891 87 L HN 0.350 nan 8.230 nan 0.000 0.431 88 F N 0.102 120.004 119.950 -0.080 0.000 2.091 88 F HA -0.244 4.282 4.527 -0.000 0.000 0.299 88 F C 2.665 178.390 175.800 -0.124 0.000 1.103 88 F CA 1.910 59.933 58.000 0.038 0.000 1.228 88 F CB -0.469 38.677 39.000 0.244 0.000 0.984 88 F HN 0.052 nan 8.300 nan 0.000 0.477 89 R N -0.314 120.234 120.500 0.079 0.000 2.075 89 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 89 R C 2.146 178.377 176.300 -0.115 0.000 1.126 89 R CA 1.396 57.497 56.100 0.001 0.000 0.963 89 R CB -0.556 29.753 30.300 0.016 0.000 0.858 89 R HN 0.373 nan 8.270 nan 0.000 0.435 90 Q N 0.245 119.945 119.800 -0.166 0.000 2.181 90 Q HA -0.160 4.179 4.340 -0.000 0.000 0.205 90 Q C 1.353 177.164 176.000 -0.315 0.000 0.980 90 Q CA 1.124 56.804 55.803 -0.205 0.000 0.862 90 Q CB 0.143 28.766 28.738 -0.192 0.000 0.905 90 Q HN 0.254 nan 8.270 nan 0.000 0.429 91 E N -0.981 118.876 120.200 -0.571 0.000 2.479 91 E HA 0.062 4.412 4.350 -0.000 0.000 0.193 91 E C 0.782 177.047 176.600 -0.558 0.000 1.049 91 E CA 0.579 56.501 56.400 -0.798 0.000 0.870 91 E CB 0.746 29.332 29.700 -1.858 0.000 0.944 91 E HN 0.457 nan 8.360 nan 0.000 0.492 92 G N 1.304 109.916 108.800 -0.314 0.000 2.221 92 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.265 92 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.265 92 G C 0.430 175.352 174.900 0.035 0.000 1.041 92 G CA 0.372 45.410 45.100 -0.102 0.000 0.807 92 G HN 0.220 nan 8.290 nan 0.000 0.502 93 W N -0.270 121.000 121.300 -0.051 0.000 2.770 93 W HA 0.312 4.972 4.660 -0.000 0.000 0.256 93 W C 2.263 178.872 176.519 0.149 0.000 1.291 93 W CA 0.516 57.810 57.345 -0.086 0.000 1.396 93 W CB -0.637 28.744 29.460 -0.131 0.000 1.114 93 W HN 0.403 nan 8.180 nan 0.000 0.637 94 L N 0.040 121.506 121.223 0.404 0.000 2.275 94 L HA -0.206 4.134 4.340 -0.000 0.000 0.215 94 L C 1.978 178.958 176.870 0.184 0.000 1.119 94 L CA 1.159 56.183 54.840 0.307 0.000 0.790 94 L CB -0.544 41.643 42.059 0.213 0.000 0.919 94 L HN -0.101 nan 8.230 nan 0.000 0.443 95 Q N -0.665 119.206 119.800 0.118 0.000 2.402 95 Q HA 0.109 4.449 4.340 -0.000 0.000 0.206 95 Q C 2.117 178.121 176.000 0.006 0.000 0.919 95 Q CA 0.967 56.803 55.803 0.056 0.000 0.923 95 Q CB 0.080 28.836 28.738 0.030 0.000 1.048 95 Q HN 0.406 nan 8.270 nan 0.000 0.515 96 A N -0.801 121.980 122.820 -0.066 0.000 2.095 96 A HA 0.212 4.532 4.320 -0.000 0.000 0.212 96 A C -0.080 177.265 177.584 -0.398 0.000 1.162 96 A CA 0.353 52.214 52.037 -0.293 0.000 0.753 96 A CB 0.259 18.972 19.000 -0.479 0.000 0.840 96 A HN 0.183 nan 8.150 nan 0.000 0.468 97 F N -0.244 119.781 119.950 0.125 0.000 2.522 97 F HA 0.529 5.056 4.527 -0.000 0.000 0.324 97 F C -2.411 173.459 175.800 0.118 0.000 1.077 97 F CA -3.336 54.734 58.000 0.117 0.000 0.944 97 F CB 0.940 40.023 39.000 0.139 0.000 1.175 97 F HN -0.171 nan 8.300 nan 0.000 0.468 98 P HA 0.051 nan 4.420 nan 0.000 0.269 98 P C 0.419 177.820 177.300 0.169 0.000 1.209 98 P CA -0.270 62.936 63.100 0.176 0.000 0.776 98 P CB 0.641 32.414 31.700 0.122 0.000 0.876 99 K N 1.729 122.190 120.400 0.102 0.000 2.074 99 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 99 K C 1.902 178.553 176.600 0.084 0.000 1.048 99 K CA 2.101 58.442 56.287 0.089 0.000 0.926 99 K CB -1.461 31.070 32.500 0.051 0.000 0.713 99 K HN 0.494 nan 8.250 nan 0.000 0.444 100 G N 1.509 110.348 108.800 0.065 0.000 2.443 100 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 100 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 100 G C 1.426 176.393 174.900 0.111 0.000 1.131 100 G CA 0.450 45.591 45.100 0.068 0.000 0.775 100 G HN 0.236 nan 8.290 nan 0.000 0.547 101 L N 0.657 121.969 121.223 0.149 0.000 2.044 101 L HA 0.225 4.565 4.340 -0.000 0.000 0.205 101 L C 2.632 179.561 176.870 0.098 0.000 1.075 101 L CA 1.172 56.102 54.840 0.150 0.000 0.747 101 L CB -0.549 41.620 42.059 0.182 0.000 0.903 101 L HN 0.208 nan 8.230 nan 0.000 0.435 102 I N -0.026 120.615 120.570 0.119 0.000 2.194 102 I HA -0.334 3.836 4.170 -0.000 0.000 0.246 102 I C 1.997 178.147 176.117 0.055 0.000 1.093 102 I CA 1.463 62.814 61.300 0.084 0.000 1.355 102 I CB -0.475 37.604 38.000 0.131 0.000 1.046 102 I HN 0.314 nan 8.210 nan 0.000 0.413 103 D N 0.343 120.789 120.400 0.076 0.000 2.144 103 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 103 D C 2.059 178.417 176.300 0.097 0.000 0.984 103 D CA 1.135 55.183 54.000 0.080 0.000 0.834 103 D CB -0.209 40.638 40.800 0.077 0.000 0.955 103 D HN 0.163 nan 8.370 nan 0.000 0.465 104 L N 0.833 122.113 121.223 0.094 0.000 2.201 104 L HA -0.053 4.287 4.340 -0.000 0.000 0.212 104 L C 2.023 178.958 176.870 0.108 0.000 1.105 104 L CA 1.141 56.039 54.840 0.097 0.000 0.775 104 L CB -0.362 41.756 42.059 0.099 0.000 0.913 104 L HN 0.166 nan 8.230 nan 0.000 0.440 105 I N -5.228 115.403 120.570 0.101 0.000 3.976 105 I HA 0.253 4.423 4.170 -0.000 0.000 0.337 105 I C 0.226 176.465 176.117 0.204 0.000 1.359 105 I CA -0.191 61.188 61.300 0.132 0.000 1.098 105 I CB 0.002 38.039 38.000 0.062 0.000 1.027 105 I HN -0.096 nan 8.210 nan 0.000 0.394 106 S N 0.843 116.659 115.700 0.194 0.000 2.509 106 S HA 0.648 5.118 4.470 -0.000 0.000 0.297 106 S C -1.291 173.566 174.600 0.429 0.000 1.118 106 S CA -0.343 57.997 58.200 0.232 0.000 1.074 106 S CB 1.638 64.886 63.200 0.081 0.000 1.038 106 S HN 0.370 nan 8.310 nan 0.000 0.498 107 Y N 1.672 122.213 120.300 0.401 0.000 2.424 107 Y HA 0.267 4.817 4.550 -0.000 0.000 0.323 107 Y C -0.611 175.513 175.900 0.374 0.000 1.174 107 Y CA -0.948 57.344 58.100 0.320 0.000 1.060 107 Y CB 0.746 39.318 38.460 0.187 0.000 1.314 107 Y HN 0.628 nan 8.280 nan 0.000 0.439 108 K N 4.346 124.532 120.400 -0.356 0.000 3.071 108 K HA -0.220 4.100 4.320 -0.000 0.000 0.262 108 K C 0.912 177.514 176.600 0.003 0.000 0.977 108 K CA 1.427 57.543 56.287 -0.285 0.000 0.721 108 K CB -1.686 30.543 32.500 -0.452 0.000 1.293 108 K HN 1.687 nan 8.250 nan 0.000 0.475 109 G N -1.986 106.830 108.800 0.027 0.000 2.205 109 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.261 109 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.261 109 G C 0.484 175.367 174.900 -0.029 0.000 0.980 109 G CA 0.655 45.761 45.100 0.011 0.000 0.632 109 G HN 0.880 nan 8.290 nan 0.000 0.533 110 G N -0.701 108.107 108.800 0.013 0.000 2.491 110 G HA2 0.691 4.651 3.960 -0.000 0.000 0.327 110 G HA3 0.691 4.651 3.960 -0.000 0.000 0.327 110 G C -0.528 173.996 174.900 -0.628 0.000 1.189 110 G CA -0.885 43.934 45.100 -0.467 0.000 0.956 110 G HN 0.650 nan 8.290 nan 0.000 0.491 111 I N -0.378 119.622 120.570 -0.950 0.000 2.447 111 I HA 0.271 4.440 4.170 -0.000 0.000 0.287 111 I C -0.638 175.069 176.117 -0.683 0.000 1.023 111 I CA -0.501 60.382 61.300 -0.694 0.000 1.083 111 I CB 2.245 39.758 38.000 -0.811 0.000 1.245 111 I HN 0.700 nan 8.210 nan 0.000 0.434 112 W N 4.130 125.425 121.300 -0.008 0.000 3.008 112 W HA 0.235 4.895 4.660 -0.000 0.000 0.355 112 W C 0.798 177.368 176.519 0.086 0.000 1.095 112 W CA -0.175 57.212 57.345 0.069 0.000 1.738 112 W CB 0.579 30.092 29.460 0.089 0.000 1.091 112 W HN 0.530 nan 8.180 nan 0.000 0.574 113 S N -1.246 114.611 115.700 0.262 0.000 2.636 113 S HA 0.673 5.143 4.470 -0.000 0.000 0.268 113 S C -1.365 173.402 174.600 0.279 0.000 1.159 113 S CA -0.965 57.365 58.200 0.216 0.000 0.815 113 S CB 1.793 65.056 63.200 0.105 0.000 1.130 113 S HN -0.235 nan 8.310 nan 0.000 0.471 114 V N 2.337 122.345 119.914 0.156 0.000 2.350 114 V HA 0.544 4.664 4.120 -0.000 0.000 0.285 114 V C -2.624 173.375 176.094 -0.158 0.000 1.014 114 V CA -1.867 60.418 62.300 -0.026 0.000 0.831 114 V CB 1.172 32.907 31.823 -0.146 0.000 1.000 114 V HN 0.799 nan 8.190 nan 0.000 0.433 115 P HA 0.190 nan 4.420 nan 0.000 0.276 115 P C 0.380 177.523 177.300 -0.262 0.000 1.230 115 P CA 0.166 63.078 63.100 -0.314 0.000 0.776 115 P CB 1.862 33.293 31.700 -0.448 0.000 0.888 116 V N 1.563 121.427 119.914 -0.084 0.000 3.621 116 V HA 0.147 4.267 4.120 -0.000 0.000 0.263 116 V C 0.109 176.179 176.094 -0.040 0.000 1.272 116 V CA 0.962 63.250 62.300 -0.020 0.000 1.080 116 V CB -0.372 31.531 31.823 0.133 0.000 0.816 116 V HN 0.811 nan 8.190 nan 0.000 0.451 117 N N -0.666 117.992 118.700 -0.070 0.000 3.179 117 N HA 0.343 5.083 4.740 -0.000 0.000 0.250 117 N C -1.649 173.754 175.510 -0.180 0.000 1.507 117 N CA -0.630 52.343 53.050 -0.128 0.000 0.883 117 N CB 1.127 39.515 38.487 -0.165 0.000 1.435 117 N HN -0.142 nan 8.380 nan 0.000 0.532 118 I N 0.644 121.046 120.570 -0.279 0.000 2.499 118 I HA 0.321 4.491 4.170 -0.000 0.000 0.288 118 I C -0.719 175.287 176.117 -0.186 0.000 1.048 118 I CA -0.239 60.866 61.300 -0.325 0.000 1.062 118 I CB 1.249 38.744 38.000 -0.841 0.000 1.238 118 I HN 0.587 nan 8.210 nan 0.000 0.426 119 H N 4.745 123.856 119.070 0.068 0.000 2.616 119 H HA 0.497 5.053 4.556 -0.000 0.000 0.353 119 H C -0.532 174.878 175.328 0.137 0.000 1.170 119 H CA -0.621 55.515 56.048 0.146 0.000 1.212 119 H CB 2.781 32.717 29.762 0.291 0.000 1.653 119 H HN 0.433 nan 8.280 nan 0.000 0.537 120 R N 0.714 121.292 120.500 0.130 0.000 2.387 120 R HA 0.195 4.535 4.340 -0.000 0.000 0.314 120 R C 0.684 176.881 176.300 -0.171 0.000 0.958 120 R CA -0.214 55.744 56.100 -0.236 0.000 0.846 120 R CB 1.195 31.070 30.300 -0.708 0.000 1.147 120 R HN 0.585 nan 8.270 nan 0.000 0.447 121 S N 2.749 118.383 115.700 -0.110 0.000 2.377 121 S HA -0.087 4.383 4.470 -0.000 0.000 0.223 121 S C 0.700 175.286 174.600 -0.023 0.000 1.030 121 S CA 0.809 58.989 58.200 -0.033 0.000 0.970 121 S CB 0.013 63.165 63.200 -0.080 0.000 0.830 121 S HN 0.794 nan 8.310 nan 0.000 0.473 122 N N 2.283 120.894 118.700 -0.149 0.000 3.298 122 N HA 0.170 4.910 4.740 -0.000 0.000 0.292 122 N C -0.930 174.474 175.510 -0.177 0.000 1.271 122 N CA -0.130 52.836 53.050 -0.139 0.000 1.184 122 N CB 0.297 38.676 38.487 -0.180 0.000 1.452 122 N HN 0.143 nan 8.380 nan 0.000 0.534 123 V N 0.872 120.680 119.914 -0.177 0.000 2.604 123 V HA 0.433 4.553 4.120 -0.000 0.000 0.305 123 V C 0.074 175.897 176.094 -0.451 0.000 1.043 123 V CA -0.918 61.146 62.300 -0.393 0.000 0.888 123 V CB 2.009 33.430 31.823 -0.671 0.000 0.995 123 V HN 0.504 nan 8.190 nan 0.000 0.429 124 M N 4.386 123.728 119.600 -0.429 0.000 2.205 124 M HA 0.538 5.018 4.480 -0.000 0.000 0.344 124 M C -1.859 174.317 176.300 -0.207 0.000 1.085 124 M CA -0.182 55.003 55.300 -0.191 0.000 1.001 124 M CB 1.203 33.789 32.600 -0.022 0.000 1.626 124 M HN 0.713 nan 8.290 nan 0.000 0.442 125 W N 5.564 127.090 121.300 0.377 0.000 2.606 125 W HA 0.630 5.290 4.660 -0.000 0.000 0.332 125 W C -1.150 175.656 176.519 0.478 0.000 1.052 125 W CA -0.260 57.286 57.345 0.335 0.000 1.223 125 W CB 0.986 30.558 29.460 0.187 0.000 1.383 125 W HN 0.610 nan 8.180 nan 0.000 0.524 126 Y N -0.600 120.030 120.300 0.549 0.000 2.641 126 Y HA 0.622 5.171 4.550 -0.000 0.000 0.333 126 Y C -1.739 174.354 175.900 0.322 0.000 1.174 126 Y CA -2.074 56.253 58.100 0.379 0.000 1.057 126 Y CB 0.667 39.364 38.460 0.396 0.000 1.322 126 Y HN 0.262 nan 8.280 nan 0.000 0.457 127 L N 3.488 124.922 121.223 0.352 0.000 2.257 127 L HA 0.394 4.734 4.340 -0.000 0.000 0.290 127 L C -1.924 175.090 176.870 0.239 0.000 1.044 127 L CA -1.893 53.074 54.840 0.211 0.000 0.810 127 L CB 1.390 43.519 42.059 0.116 0.000 1.193 127 L HN 0.507 nan 8.230 nan 0.000 0.425 128 P HA -0.203 nan 4.420 nan 0.000 0.216 128 P C 1.423 178.757 177.300 0.055 0.000 1.150 128 P CA 1.357 64.562 63.100 0.175 0.000 0.843 128 P CB 0.360 32.101 31.700 0.068 0.000 0.787 129 A N -0.692 122.124 122.820 -0.007 0.000 1.969 129 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 129 A C 2.114 179.581 177.584 -0.195 0.000 1.169 129 A CA 1.494 53.483 52.037 -0.080 0.000 0.635 129 A CB -0.765 18.189 19.000 -0.077 0.000 0.810 129 A HN 0.029 nan 8.150 nan 0.000 0.445 130 K N -0.072 120.172 120.400 -0.260 0.000 2.044 130 K HA 0.098 4.418 4.320 -0.000 0.000 0.204 130 K C 1.921 178.189 176.600 -0.553 0.000 1.049 130 K CA 0.943 56.832 56.287 -0.663 0.000 0.945 130 K CB -0.736 31.336 32.500 -0.712 0.000 0.724 130 K HN 0.537 nan 8.250 nan 0.000 0.440 131 L N 0.889 122.068 121.223 -0.073 0.000 2.046 131 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 131 L C 2.432 179.346 176.870 0.073 0.000 1.077 131 L CA 1.420 56.352 54.840 0.152 0.000 0.747 131 L CB -0.444 41.703 42.059 0.147 0.000 0.896 131 L HN 0.165 nan 8.230 nan 0.000 0.432 132 K N 0.216 120.613 120.400 -0.005 0.000 2.026 132 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 132 K C 2.117 178.686 176.600 -0.051 0.000 1.048 132 K CA 1.375 57.653 56.287 -0.016 0.000 0.929 132 K CB -0.531 31.954 32.500 -0.025 0.000 0.713 132 K HN 0.383 nan 8.250 nan 0.000 0.439 133 G N 0.013 108.714 108.800 -0.165 0.000 2.462 133 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 133 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 133 G C 0.743 175.566 174.900 -0.129 0.000 1.121 133 G CA 0.462 45.433 45.100 -0.216 0.000 0.758 133 G HN 0.302 nan 8.290 nan 0.000 0.559 134 W N -0.301 120.991 121.300 -0.014 0.000 3.114 134 W HA 0.345 5.005 4.660 -0.000 0.000 0.279 134 W C 1.584 178.094 176.519 -0.014 0.000 1.277 134 W CA 0.043 57.377 57.345 -0.019 0.000 1.630 134 W CB -0.334 29.104 29.460 -0.036 0.000 1.087 134 W HN 0.363 nan 8.180 nan 0.000 0.637 135 G N 1.549 110.454 108.800 0.175 0.000 2.198 135 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.257 135 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.257 135 G C -0.238 174.723 174.900 0.102 0.000 1.042 135 G CA 0.321 45.485 45.100 0.106 0.000 0.791 135 G HN 0.268 nan 8.290 nan 0.000 0.502 136 V N -3.497 116.496 119.914 0.131 0.000 2.960 136 V HA 0.883 5.003 4.120 -0.000 0.000 0.315 136 V C -0.034 176.105 176.094 0.075 0.000 1.087 136 V CA -1.877 60.484 62.300 0.103 0.000 0.982 136 V CB 2.068 33.971 31.823 0.133 0.000 1.039 136 V HN 0.157 nan 8.190 nan 0.000 0.437 137 N N 1.547 120.267 118.700 0.034 0.000 2.489 137 N HA 0.576 5.315 4.740 -0.000 0.000 0.284 137 N C -2.894 172.583 175.510 -0.054 0.000 1.158 137 N CA -1.821 51.218 53.050 -0.019 0.000 0.965 137 N CB 0.941 39.405 38.487 -0.038 0.000 1.195 137 N HN 0.534 nan 8.380 nan 0.000 0.506 138 P HA 0.134 nan 4.420 nan 0.000 0.265 138 P C -2.315 174.836 177.300 -0.247 0.000 1.222 138 P CA -0.604 62.303 63.100 -0.323 0.000 0.767 138 P CB -0.402 30.967 31.700 -0.551 0.000 0.801 139 P HA 0.094 nan 4.420 nan 0.000 0.267 139 P C 0.420 177.556 177.300 -0.273 0.000 1.205 139 P CA 0.195 63.144 63.100 -0.253 0.000 0.765 139 P CB 1.003 32.548 31.700 -0.259 0.000 0.828 140 R N 0.869 121.243 120.500 -0.210 0.000 2.254 140 R HA 0.096 4.436 4.340 -0.000 0.000 0.195 140 R C 1.018 177.163 176.300 -0.258 0.000 0.957 140 R CA 0.704 56.677 56.100 -0.211 0.000 1.024 140 R CB 0.110 30.329 30.300 -0.136 0.000 0.952 140 R HN 0.631 nan 8.270 nan 0.000 0.484 141 T N -5.135 109.267 114.554 -0.252 0.000 2.865 141 T HA 0.195 4.545 4.350 -0.000 0.000 0.294 141 T C 0.117 174.669 174.700 -0.246 0.000 1.119 141 T CA -0.938 61.014 62.100 -0.247 0.000 1.007 141 T CB 1.009 69.825 68.868 -0.088 0.000 1.225 141 T HN 0.177 nan 8.240 nan 0.000 0.515 142 W N 0.246 121.521 121.300 -0.041 0.000 2.436 142 W HA 0.065 4.725 4.660 -0.000 0.000 0.284 142 W C 1.825 178.384 176.519 0.068 0.000 1.225 142 W CA 0.373 57.707 57.345 -0.018 0.000 1.271 142 W CB -0.025 29.387 29.460 -0.080 0.000 1.114 142 W HN 0.736 nan 8.180 nan 0.000 0.559 143 D N 0.482 121.019 120.400 0.229 0.000 2.104 143 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 143 D C 1.752 178.123 176.300 0.119 0.000 0.994 143 D CA 1.495 55.587 54.000 0.154 0.000 0.830 143 D CB -0.302 40.553 40.800 0.091 0.000 0.959 143 D HN 0.201 nan 8.370 nan 0.000 0.452 144 K N -0.308 120.131 120.400 0.066 0.000 2.148 144 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 144 K C 2.049 178.661 176.600 0.021 0.000 1.050 144 K CA 0.331 56.628 56.287 0.017 0.000 0.942 144 K CB -0.194 32.284 32.500 -0.037 0.000 0.724 144 K HN 0.099 nan 8.250 nan 0.000 0.446 145 F N 1.864 121.755 119.950 -0.098 0.000 2.075 145 F HA -0.194 4.333 4.527 -0.000 0.000 0.297 145 F C 1.733 177.553 175.800 0.032 0.000 1.113 145 F CA 1.391 59.327 58.000 -0.107 0.000 1.218 145 F CB -0.149 38.810 39.000 -0.068 0.000 0.984 145 F HN -0.132 nan 8.300 nan 0.000 0.472 146 L N 0.050 121.469 121.223 0.326 0.000 2.046 146 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 146 L C 2.842 179.727 176.870 0.024 0.000 1.077 146 L CA 1.192 56.149 54.840 0.194 0.000 0.747 146 L CB -1.264 40.937 42.059 0.238 0.000 0.896 146 L HN 0.288 nan 8.230 nan 0.000 0.432 147 A N -0.407 122.429 122.820 0.027 0.000 1.877 147 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 147 A C 2.369 179.925 177.584 -0.046 0.000 1.186 147 A CA 2.414 54.448 52.037 -0.005 0.000 0.620 147 A CB -0.952 18.052 19.000 0.007 0.000 0.822 147 A HN 0.390 nan 8.150 nan 0.000 0.443 148 T N -0.821 113.685 114.554 -0.080 0.000 2.746 148 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 148 T C 1.894 176.522 174.700 -0.119 0.000 1.039 148 T CA 1.542 63.592 62.100 -0.082 0.000 1.142 148 T CB -0.646 68.181 68.868 -0.068 0.000 0.866 148 T HN 0.579 nan 8.240 nan 0.000 0.444 149 C N 1.167 120.333 119.300 -0.223 0.000 2.425 149 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 149 C C 2.870 177.781 174.990 -0.131 0.000 1.280 149 C CA 0.483 59.375 59.018 -0.211 0.000 1.744 149 C CB -1.073 26.491 27.740 -0.294 0.000 1.989 149 C HN 0.611 nan 8.230 nan 0.000 0.491 150 Q N 0.538 120.285 119.800 -0.088 0.000 2.050 150 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 150 Q C 2.113 178.072 176.000 -0.068 0.000 0.980 150 Q CA 2.145 57.913 55.803 -0.058 0.000 0.840 150 Q CB -0.195 28.526 28.738 -0.028 0.000 0.898 150 Q HN 0.634 nan 8.270 nan 0.000 0.424 151 T N 1.506 116.019 114.554 -0.068 0.000 2.665 151 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 151 T C 1.792 176.425 174.700 -0.111 0.000 1.035 151 T CA 1.500 63.560 62.100 -0.067 0.000 1.151 151 T CB -0.252 68.588 68.868 -0.047 0.000 0.862 151 T HN 0.257 nan 8.240 nan 0.000 0.438 152 L N 0.190 121.308 121.223 -0.175 0.000 2.093 152 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 152 L C 2.675 179.386 176.870 -0.265 0.000 1.085 152 L CA 1.272 55.924 54.840 -0.315 0.000 0.755 152 L CB -0.430 41.349 42.059 -0.467 0.000 0.904 152 L HN 0.199 nan 8.230 nan 0.000 0.435 153 K N -0.098 120.194 120.400 -0.179 0.000 2.057 153 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 153 K C 2.140 178.684 176.600 -0.093 0.000 1.049 153 K CA 1.400 57.612 56.287 -0.124 0.000 0.931 153 K CB -0.097 32.353 32.500 -0.083 0.000 0.714 153 K HN 0.370 nan 8.250 nan 0.000 0.440 154 Q N 0.431 120.183 119.800 -0.079 0.000 2.291 154 Q HA -0.085 4.255 4.340 -0.000 0.000 0.205 154 Q C 1.231 177.202 176.000 -0.049 0.000 0.970 154 Q CA 1.011 56.783 55.803 -0.051 0.000 0.876 154 Q CB 0.179 28.895 28.738 -0.038 0.000 0.935 154 Q HN 0.195 nan 8.270 nan 0.000 0.455 155 K N -0.822 119.532 120.400 -0.075 0.000 2.487 155 K HA 0.069 4.388 4.320 -0.000 0.000 0.192 155 K C 0.793 177.359 176.600 -0.057 0.000 1.027 155 K CA 0.570 56.823 56.287 -0.057 0.000 1.054 155 K CB 0.574 33.028 32.500 -0.077 0.000 0.824 155 K HN 0.318 nan 8.250 nan 0.000 0.510 156 G N 1.540 110.295 108.800 -0.075 0.000 2.179 156 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 156 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 156 G C -0.302 174.551 174.900 -0.079 0.000 0.990 156 G CA -0.437 44.631 45.100 -0.053 0.000 0.646 156 G HN 0.202 nan 8.290 nan 0.000 0.517 157 L N 1.771 122.894 121.223 -0.167 0.000 2.334 157 L HA 0.586 4.925 4.340 -0.000 0.000 0.286 157 L C 1.356 178.135 176.870 -0.151 0.000 1.108 157 L CA 0.032 54.747 54.840 -0.207 0.000 0.875 157 L CB 0.177 41.953 42.059 -0.470 0.000 1.246 157 L HN 0.296 nan 8.230 nan 0.000 0.439 158 E N 3.562 123.713 120.200 -0.082 0.000 2.204 158 E HA 0.012 4.362 4.350 -0.000 0.000 0.194 158 E C 0.309 176.884 176.600 -0.041 0.000 0.989 158 E CA 0.913 57.282 56.400 -0.052 0.000 0.824 158 E CB 0.182 29.866 29.700 -0.025 0.000 0.756 158 E HN 0.696 nan 8.360 nan 0.000 0.477 159 A N 1.078 123.873 122.820 -0.041 0.000 3.082 159 A HA 0.313 4.633 4.320 -0.000 0.000 0.328 159 A C -2.243 175.331 177.584 -0.016 0.000 1.089 159 A CA -1.149 50.883 52.037 -0.007 0.000 0.802 159 A CB 0.491 19.503 19.000 0.020 0.000 1.138 159 A HN -0.112 nan 8.150 nan 0.000 0.474 160 P HA -0.072 nan 4.420 nan 0.000 0.222 160 P C 0.323 177.681 177.300 0.098 0.000 1.147 160 P CA 0.764 63.812 63.100 -0.087 0.000 0.790 160 P CB 0.155 31.779 31.700 -0.126 0.000 0.780 161 L N -0.516 120.828 121.223 0.201 0.000 2.287 161 L HA 0.632 4.972 4.340 -0.000 0.000 0.287 161 L C -0.393 176.615 176.870 0.231 0.000 1.022 161 L CA -1.190 53.856 54.840 0.344 0.000 0.814 161 L CB 0.826 43.166 42.059 0.468 0.000 1.217 161 L HN -0.196 nan 8.230 nan 0.000 0.420 162 A N 5.394 128.359 122.820 0.241 0.000 2.328 162 A HA 0.676 4.996 4.320 -0.000 0.000 0.284 162 A C -1.031 176.659 177.584 0.178 0.000 1.160 162 A CA -0.348 51.797 52.037 0.180 0.000 0.818 162 A CB 0.589 19.697 19.000 0.180 0.000 1.087 162 A HN 0.745 nan 8.150 nan 0.000 0.504 163 L N 2.028 123.326 121.223 0.125 0.000 2.466 163 L HA 0.807 5.146 4.340 -0.000 0.000 0.258 163 L C 0.334 177.235 176.870 0.052 0.000 0.973 163 L CA 0.335 55.236 54.840 0.101 0.000 0.826 163 L CB 2.058 44.181 42.059 0.107 0.000 1.372 163 L HN 0.872 nan 8.230 nan 0.000 0.409 164 G N 1.304 110.106 108.800 0.004 0.000 3.135 164 G HA2 0.432 4.392 3.960 -0.000 0.000 0.159 164 G HA3 0.432 4.392 3.960 -0.000 0.000 0.159 164 G C -0.835 174.025 174.900 -0.067 0.000 1.244 164 G CA -0.233 44.845 45.100 -0.037 0.000 0.965 164 G HN 0.776 nan 8.290 nan 0.000 0.599 165 E N 0.166 120.301 120.200 -0.107 0.000 2.428 165 E HA -0.043 4.306 4.350 -0.000 0.000 0.257 165 E C 0.941 177.486 176.600 -0.092 0.000 1.197 165 E CA -0.153 56.207 56.400 -0.066 0.000 0.974 165 E CB 0.572 30.273 29.700 0.002 0.000 0.976 165 E HN 0.437 nan 8.360 nan 0.000 0.463 166 N N 1.594 120.311 118.700 0.028 0.000 2.089 166 N HA -0.245 4.495 4.740 -0.000 0.000 0.198 166 N C 1.664 177.259 175.510 0.142 0.000 1.017 166 N CA 2.517 55.622 53.050 0.091 0.000 0.880 166 N CB -0.413 38.138 38.487 0.106 0.000 1.042 166 N HN 0.877 nan 8.380 nan 0.000 0.446 167 W N 1.384 122.766 121.300 0.137 0.000 2.374 167 W HA -0.118 4.542 4.660 -0.000 0.000 0.288 167 W C 1.857 178.534 176.519 0.264 0.000 1.218 167 W CA 1.782 59.225 57.345 0.163 0.000 1.245 167 W CB -1.434 28.090 29.460 0.106 0.000 1.126 167 W HN 0.136 nan 8.180 nan 0.000 0.545 168 T N -0.404 113.772 114.554 -0.630 0.000 2.915 168 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 168 T C 1.747 176.490 174.700 0.072 0.000 1.071 168 T CA 1.767 63.574 62.100 -0.488 0.000 1.132 168 T CB -0.515 67.998 68.868 -0.593 0.000 0.878 168 T HN 0.365 nan 8.240 nan 0.000 0.479 169 Q N 0.695 120.578 119.800 0.138 0.000 2.083 169 Q HA -0.036 4.304 4.340 -0.000 0.000 0.198 169 Q C 2.732 178.985 176.000 0.423 0.000 0.969 169 Q CA 1.341 57.345 55.803 0.334 0.000 0.838 169 Q CB -0.219 28.709 28.738 0.317 0.000 0.900 169 Q HN 0.659 nan 8.270 nan 0.000 0.436 170 Q N -0.245 119.765 119.800 0.349 0.000 2.135 170 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 170 Q C 1.874 178.159 176.000 0.474 0.000 0.981 170 Q CA 1.622 57.669 55.803 0.406 0.000 0.856 170 Q CB -0.219 28.784 28.738 0.442 0.000 0.902 170 Q HN 0.510 nan 8.270 nan 0.000 0.425 171 H N 0.362 119.668 119.070 0.393 0.000 2.321 171 H HA -0.151 4.405 4.556 -0.000 0.000 0.300 171 H C 1.992 177.505 175.328 0.310 0.000 1.087 171 H CA 1.424 57.717 56.048 0.409 0.000 1.319 171 H CB -0.007 30.050 29.762 0.491 0.000 1.379 171 H HN 0.175 nan 8.280 nan 0.000 0.501 172 L N -0.292 121.215 121.223 0.472 0.000 2.012 172 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 172 L C 2.184 179.210 176.870 0.260 0.000 1.073 172 L CA 2.117 57.188 54.840 0.385 0.000 0.748 172 L CB -1.029 41.292 42.059 0.437 0.000 0.891 172 L HN 0.517 nan 8.230 nan 0.000 0.431 173 W N 1.244 122.545 121.300 0.003 0.000 2.338 173 W HA -0.269 4.391 4.660 -0.000 0.000 0.304 173 W C 2.523 178.894 176.519 -0.245 0.000 1.212 173 W CA 2.471 59.542 57.345 -0.457 0.000 1.264 173 W CB -0.154 28.803 29.460 -0.838 0.000 1.142 173 W HN 0.547 nan 8.180 nan 0.000 0.512 174 E N -1.068 119.182 120.200 0.084 0.000 2.150 174 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 174 E C 2.027 178.341 176.600 -0.477 0.000 0.985 174 E CA 1.621 57.922 56.400 -0.165 0.000 0.814 174 E CB -0.762 28.979 29.700 0.069 0.000 0.752 174 E HN 0.115 nan 8.360 nan 0.000 0.466 175 S N 0.426 115.969 115.700 -0.261 0.000 2.371 175 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 175 S C 2.040 176.565 174.600 -0.126 0.000 1.029 175 S CA 0.994 59.093 58.200 -0.168 0.000 0.978 175 S CB -0.042 63.184 63.200 0.043 0.000 0.833 175 S HN 0.181 nan 8.310 nan 0.000 0.466 176 V N 2.037 121.792 119.914 -0.264 0.000 2.295 176 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 176 V C 2.652 178.440 176.094 -0.510 0.000 1.049 176 V CA 1.740 63.763 62.300 -0.461 0.000 1.024 176 V CB -1.213 30.183 31.823 -0.711 0.000 0.648 176 V HN 0.526 nan 8.190 nan 0.000 0.447 177 A N -0.041 122.283 122.820 -0.826 0.000 1.908 177 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 177 A C 2.181 179.542 177.584 -0.373 0.000 1.181 177 A CA 2.287 53.873 52.037 -0.751 0.000 0.627 177 A CB -0.633 17.663 19.000 -1.173 0.000 0.818 177 A HN 0.480 nan 8.150 nan 0.000 0.445 178 L N -0.393 120.547 121.223 -0.472 0.000 2.046 178 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 178 L C 2.582 179.346 176.870 -0.176 0.000 1.077 178 L CA 2.244 56.849 54.840 -0.391 0.000 0.747 178 L CB -0.775 40.920 42.059 -0.607 0.000 0.896 178 L HN 0.318 nan 8.230 nan 0.000 0.432 179 A N -1.232 121.522 122.820 -0.110 0.000 1.930 179 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 179 A C 2.231 179.820 177.584 0.007 0.000 1.175 179 A CA 1.815 53.859 52.037 0.012 0.000 0.627 179 A CB -0.938 18.203 19.000 0.236 0.000 0.815 179 A HN 0.304 nan 8.150 nan 0.000 0.443 180 V N -0.395 119.491 119.914 -0.048 0.000 2.488 180 V HA -0.110 4.010 4.120 -0.000 0.000 0.246 180 V C 2.311 178.381 176.094 -0.039 0.000 1.046 180 V CA 1.621 63.892 62.300 -0.048 0.000 1.053 180 V CB -0.399 31.355 31.823 -0.114 0.000 0.679 180 V HN 0.539 nan 8.190 nan 0.000 0.458 181 L N -0.617 120.577 121.223 -0.048 0.000 2.416 181 L HA 0.431 4.771 4.340 -0.000 0.000 0.216 181 L C 1.286 178.160 176.870 0.006 0.000 1.098 181 L CA 0.664 55.494 54.840 -0.017 0.000 0.840 181 L CB -0.490 41.573 42.059 0.007 0.000 0.981 181 L HN 0.503 nan 8.230 nan 0.000 0.462 182 G N 0.749 109.549 108.800 0.001 0.000 2.880 182 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.617 182 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.617 182 G C -2.018 172.921 174.900 0.065 0.000 1.493 182 G CA -0.263 44.845 45.100 0.012 0.000 0.916 182 G HN 0.063 nan 8.290 nan 0.000 0.553 183 P HA -0.029 nan 4.420 nan 0.000 0.217 183 P C 1.064 178.467 177.300 0.172 0.000 1.151 183 P CA 1.715 64.898 63.100 0.138 0.000 0.828 183 P CB 0.085 31.840 31.700 0.091 0.000 0.788 184 D N 0.196 120.652 120.400 0.093 0.000 2.097 184 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 184 D C 1.658 177.984 176.300 0.043 0.000 0.989 184 D CA 1.178 55.216 54.000 0.062 0.000 0.827 184 D CB -0.607 40.209 40.800 0.027 0.000 0.966 184 D HN 0.123 nan 8.370 nan 0.000 0.456 185 D N -0.222 120.197 120.400 0.032 0.000 2.183 185 D HA -0.102 4.538 4.640 -0.000 0.000 0.203 185 D C 1.853 178.128 176.300 -0.041 0.000 0.969 185 D CA 0.145 54.127 54.000 -0.031 0.000 0.842 185 D CB -0.280 40.495 40.800 -0.042 0.000 0.957 185 D HN 0.374 nan 8.370 nan 0.000 0.484 186 W N 2.209 123.444 121.300 -0.108 0.000 2.302 186 W HA -0.273 4.387 4.660 -0.000 0.000 0.320 186 W C 1.417 177.925 176.519 -0.019 0.000 1.241 186 W CA 1.234 58.542 57.345 -0.062 0.000 1.264 186 W CB -0.293 29.188 29.460 0.035 0.000 1.154 186 W HN -0.048 nan 8.180 nan 0.000 0.483 187 N N 0.877 119.614 118.700 0.062 0.000 2.149 187 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 187 N C 1.147 176.551 175.510 -0.176 0.000 1.019 187 N CA 1.697 54.743 53.050 -0.006 0.000 0.857 187 N CB -1.131 37.414 38.487 0.097 0.000 0.997 187 N HN 0.248 nan 8.380 nan 0.000 0.426 188 N N 0.823 119.396 118.700 -0.212 0.000 2.381 188 N HA -0.031 4.709 4.740 -0.000 0.000 0.182 188 N C 1.726 176.949 175.510 -0.478 0.000 1.025 188 N CA 0.249 53.140 53.050 -0.265 0.000 0.888 188 N CB -0.176 38.197 38.487 -0.191 0.000 0.965 188 N HN 0.331 nan 8.380 nan 0.000 0.438 189 L N -1.209 119.521 121.223 -0.822 0.000 2.046 189 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 189 L C 1.680 177.840 176.870 -1.184 0.000 1.077 189 L CA 1.259 55.302 54.840 -1.327 0.000 0.747 189 L CB -0.325 40.453 42.059 -2.134 0.000 0.896 189 L HN 0.256 nan 8.230 nan 0.000 0.432 190 W N -0.219 120.821 121.300 -0.434 0.000 2.942 190 W HA -0.011 4.649 4.660 -0.000 0.000 0.263 190 W C 2.079 178.461 176.519 -0.229 0.000 1.296 190 W CA 0.071 57.197 57.345 -0.364 0.000 1.504 190 W CB -0.300 28.913 29.460 -0.411 0.000 1.096 190 W HN 0.281 nan 8.180 nan 0.000 0.639 191 N N 0.206 118.857 118.700 -0.082 0.000 2.353 191 N HA 0.152 4.891 4.740 -0.000 0.000 0.185 191 N C 1.496 176.951 175.510 -0.091 0.000 1.098 191 N CA 0.932 53.947 53.050 -0.058 0.000 0.872 191 N CB -0.189 38.272 38.487 -0.044 0.000 0.970 191 N HN 0.087 nan 8.380 nan 0.000 0.467 192 G N 0.196 108.896 108.800 -0.166 0.000 2.176 192 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.253 192 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.253 192 G C 0.866 175.684 174.900 -0.136 0.000 0.979 192 G CA 0.538 45.551 45.100 -0.144 0.000 0.641 192 G HN 0.462 nan 8.290 nan 0.000 0.530 193 K N -1.153 119.158 120.400 -0.149 0.000 2.288 193 K HA 0.257 4.577 4.320 -0.000 0.000 0.201 193 K C 0.782 177.295 176.600 -0.145 0.000 1.048 193 K CA 0.729 56.944 56.287 -0.119 0.000 0.956 193 K CB 0.231 32.672 32.500 -0.099 0.000 0.746 193 K HN 0.368 nan 8.250 nan 0.000 0.461 194 L N 1.413 122.499 121.223 -0.228 0.000 2.325 194 L HA 0.245 4.585 4.340 -0.000 0.000 0.281 194 L C -1.025 175.654 176.870 -0.318 0.000 1.004 194 L CA -0.472 54.219 54.840 -0.249 0.000 0.823 194 L CB 1.349 43.234 42.059 -0.291 0.000 1.236 194 L HN -0.191 nan 8.230 nan 0.000 0.415 195 K N 3.999 124.284 120.400 -0.191 0.000 2.237 195 K HA 0.175 4.495 4.320 -0.000 0.000 0.270 195 K C 0.495 177.008 176.600 -0.145 0.000 1.015 195 K CA -0.104 56.112 56.287 -0.119 0.000 0.949 195 K CB 0.811 33.309 32.500 -0.004 0.000 0.976 195 K HN 0.528 nan 8.250 nan 0.000 0.472 196 F N 0.612 120.564 119.950 0.003 0.000 2.333 196 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 196 F C 2.412 178.299 175.800 0.146 0.000 1.083 196 F CA 1.247 59.312 58.000 0.108 0.000 1.395 196 F CB -0.270 38.844 39.000 0.190 0.000 1.056 196 F HN 0.607 nan 8.300 nan 0.000 0.529 197 T N -3.459 111.242 114.554 0.245 0.000 3.148 197 T HA -0.018 4.331 4.350 -0.000 0.000 0.253 197 T C 0.368 175.132 174.700 0.108 0.000 1.134 197 T CA -0.146 62.054 62.100 0.167 0.000 1.051 197 T CB -0.664 68.278 68.868 0.123 0.000 0.959 197 T HN 0.083 nan 8.240 nan 0.000 0.525 198 D N 2.541 122.981 120.400 0.068 0.000 2.455 198 D HA 0.134 4.774 4.640 -0.000 0.000 0.241 198 D C -1.421 174.916 176.300 0.061 0.000 1.138 198 D CA -1.727 52.294 54.000 0.035 0.000 0.877 198 D CB 1.161 41.950 40.800 -0.017 0.000 1.187 198 D HN -0.045 nan 8.370 nan 0.000 0.451 199 P HA -0.196 nan 4.420 nan 0.000 0.217 199 P C 0.677 178.015 177.300 0.064 0.000 1.148 199 P CA 1.460 64.600 63.100 0.067 0.000 0.828 199 P CB 0.168 31.897 31.700 0.049 0.000 0.783 200 K N -0.605 119.816 120.400 0.034 0.000 2.057 200 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 200 K C 2.129 178.745 176.600 0.026 0.000 1.049 200 K CA 1.629 57.927 56.287 0.018 0.000 0.931 200 K CB -0.607 31.885 32.500 -0.013 0.000 0.714 200 K HN 0.079 nan 8.250 nan 0.000 0.440 201 A N 0.900 123.743 122.820 0.039 0.000 1.970 201 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 201 A C 2.323 180.060 177.584 0.255 0.000 1.170 201 A CA 0.861 52.949 52.037 0.086 0.000 0.645 201 A CB -0.360 18.664 19.000 0.041 0.000 0.816 201 A HN 0.050 nan 8.150 nan 0.000 0.447 202 V N 0.151 120.227 119.914 0.270 0.000 2.407 202 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 202 V C 2.585 178.868 176.094 0.316 0.000 1.055 202 V CA 2.198 64.719 62.300 0.367 0.000 1.049 202 V CB -0.814 31.154 31.823 0.240 0.000 0.662 202 V HN 0.680 nan 8.190 nan 0.000 0.455 203 R N 0.402 121.011 120.500 0.181 0.000 2.127 203 R HA -0.192 4.147 4.340 -0.000 0.000 0.238 203 R C 2.228 178.576 176.300 0.080 0.000 1.134 203 R CA 1.610 57.785 56.100 0.125 0.000 0.975 203 R CB -0.431 29.910 30.300 0.068 0.000 0.865 203 R HN 0.502 nan 8.270 nan 0.000 0.447 204 A N 0.035 122.864 122.820 0.014 0.000 1.902 204 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 204 A C 1.784 179.283 177.584 -0.142 0.000 1.181 204 A CA 1.365 53.288 52.037 -0.190 0.000 0.623 204 A CB -0.975 17.787 19.000 -0.396 0.000 0.818 204 A HN 0.599 nan 8.150 nan 0.000 0.443 205 W N 0.124 121.503 121.300 0.131 0.000 2.363 205 W HA -0.092 4.568 4.660 -0.000 0.000 0.296 205 W C 2.283 178.878 176.519 0.125 0.000 1.212 205 W CA 1.233 58.624 57.345 0.077 0.000 1.260 205 W CB -0.172 29.324 29.460 0.059 0.000 1.131 205 W HN 0.443 nan 8.180 nan 0.000 0.530 206 E N -0.023 120.384 120.200 0.344 0.000 2.051 206 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 206 E C 2.095 178.802 176.600 0.179 0.000 0.991 206 E CA 1.827 58.390 56.400 0.272 0.000 0.799 206 E CB -0.558 29.255 29.700 0.189 0.000 0.748 206 E HN 0.063 nan 8.360 nan 0.000 0.449 207 V N 1.036 120.995 119.914 0.074 0.000 2.307 207 V HA -0.237 3.882 4.120 -0.000 0.000 0.245 207 V C 2.022 178.063 176.094 -0.088 0.000 1.045 207 V CA 1.689 63.966 62.300 -0.039 0.000 1.024 207 V CB -0.538 31.195 31.823 -0.150 0.000 0.651 207 V HN 0.239 nan 8.190 nan 0.000 0.449 208 F N 2.230 122.035 119.950 -0.242 0.000 2.120 208 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 208 F C 2.175 177.998 175.800 0.039 0.000 1.095 208 F CA 1.752 59.618 58.000 -0.224 0.000 1.249 208 F CB -0.933 37.932 39.000 -0.225 0.000 0.995 208 F HN 0.144 nan 8.300 nan 0.000 0.480 209 G N 0.078 109.023 108.800 0.241 0.000 2.440 209 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 209 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 209 G C 1.857 176.817 174.900 0.100 0.000 1.154 209 G CA 0.827 46.146 45.100 0.364 0.000 0.767 209 G HN 0.351 nan 8.290 nan 0.000 0.552 210 R N -0.322 120.222 120.500 0.073 0.000 2.075 210 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 210 R C 2.669 178.990 176.300 0.035 0.000 1.126 210 R CA 1.046 57.179 56.100 0.056 0.000 0.963 210 R CB -0.530 29.812 30.300 0.070 0.000 0.858 210 R HN 0.302 nan 8.270 nan 0.000 0.435 211 V N 1.310 121.186 119.914 -0.063 0.000 2.343 211 V HA -0.221 3.898 4.120 -0.000 0.000 0.247 211 V C 2.164 178.230 176.094 -0.047 0.000 1.051 211 V CA 1.397 63.660 62.300 -0.062 0.000 1.036 211 V CB -0.386 31.166 31.823 -0.451 0.000 0.654 211 V HN 0.208 nan 8.190 nan 0.000 0.451 212 L N 0.081 121.172 121.223 -0.220 0.000 2.131 212 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 212 L C 1.867 178.715 176.870 -0.037 0.000 1.092 212 L CA 1.848 56.572 54.840 -0.194 0.000 0.759 212 L CB -0.794 41.074 42.059 -0.319 0.000 0.903 212 L HN 0.297 nan 8.230 nan 0.000 0.435 213 D N -1.797 118.601 120.400 -0.003 0.000 2.378 213 D HA -0.077 4.562 4.640 -0.000 0.000 0.227 213 D C 1.746 178.073 176.300 0.045 0.000 1.012 213 D CA 0.571 54.583 54.000 0.021 0.000 0.905 213 D CB -0.098 40.716 40.800 0.023 0.000 0.895 213 D HN 0.400 nan 8.370 nan 0.000 0.532 214 C N 0.463 119.814 119.300 0.085 0.000 2.697 214 C HA 0.512 4.971 4.460 -0.000 0.000 0.267 214 C C 1.297 176.353 174.990 0.110 0.000 1.278 214 C CA -0.766 58.317 59.018 0.109 0.000 1.708 214 C CB -1.074 26.790 27.740 0.207 0.000 1.860 214 C HN 0.220 nan 8.230 nan 0.000 0.589 215 A N 2.327 125.201 122.820 0.090 0.000 2.264 215 A HA 0.528 4.848 4.320 -0.000 0.000 0.304 215 A C 0.134 177.754 177.584 0.060 0.000 1.100 215 A CA -0.439 51.653 52.037 0.091 0.000 0.839 215 A CB 0.323 19.372 19.000 0.082 0.000 1.121 215 A HN 0.596 nan 8.150 nan 0.000 0.496 216 N N 1.114 119.851 118.700 0.062 0.000 2.492 216 N HA 0.008 4.748 4.740 -0.000 0.000 0.262 216 N C -0.072 175.459 175.510 0.035 0.000 1.202 216 N CA -0.308 52.768 53.050 0.044 0.000 0.926 216 N CB 0.836 39.352 38.487 0.048 0.000 1.078 216 N HN 0.475 nan 8.380 nan 0.000 0.454 217 K N 0.832 121.247 120.400 0.024 0.000 2.362 217 K HA -0.110 4.210 4.320 -0.000 0.000 0.200 217 K C 0.549 177.160 176.600 0.019 0.000 1.046 217 K CA 0.873 57.171 56.287 0.018 0.000 0.952 217 K CB -0.254 32.253 32.500 0.011 0.000 0.753 217 K HN 0.756 nan 8.250 nan 0.000 0.466 218 D N -0.387 120.026 120.400 0.021 0.000 2.342 218 D HA 0.106 4.746 4.640 -0.000 0.000 0.221 218 D C 1.285 177.598 176.300 0.021 0.000 1.101 218 D CA 0.181 54.192 54.000 0.019 0.000 0.837 218 D CB 0.098 40.908 40.800 0.016 0.000 0.938 218 D HN -0.067 nan 8.370 nan 0.000 0.508 219 A N 1.340 124.176 122.820 0.027 0.000 1.927 219 A HA -0.116 4.203 4.320 -0.000 0.000 0.220 219 A C 2.437 180.033 177.584 0.020 0.000 1.185 219 A CA 2.315 54.369 52.037 0.029 0.000 0.639 219 A CB -0.966 18.059 19.000 0.041 0.000 0.820 219 A HN 0.403 nan 8.150 nan 0.000 0.451 220 A N -0.923 121.912 122.820 0.024 0.000 1.986 220 A HA 0.069 4.389 4.320 -0.000 0.000 0.220 220 A C 2.214 179.810 177.584 0.021 0.000 1.171 220 A CA 1.936 53.988 52.037 0.024 0.000 0.640 220 A CB -1.098 17.916 19.000 0.025 0.000 0.811 220 A HN 0.916 nan 8.150 nan 0.000 0.451 221 G N -1.429 107.381 108.800 0.017 0.000 3.042 221 G HA2 0.400 4.360 3.960 -0.000 0.000 0.212 221 G HA3 0.400 4.360 3.960 -0.000 0.000 0.212 221 G C 0.359 175.266 174.900 0.011 0.000 1.166 221 G CA -0.262 44.847 45.100 0.015 0.000 0.767 221 G HN 0.362 nan 8.290 nan 0.000 0.546 222 L N 1.867 123.094 121.223 0.006 0.000 2.322 222 L HA 0.392 4.731 4.340 -0.000 0.000 0.279 222 L C 0.838 177.704 176.870 -0.007 0.000 1.036 222 L CA -0.787 54.050 54.840 -0.005 0.000 0.807 222 L CB 1.836 43.893 42.059 -0.003 0.000 1.226 222 L HN 0.156 nan 8.230 nan 0.000 0.433 223 S N 1.758 117.443 115.700 -0.025 0.000 2.608 223 S HA 0.057 4.526 4.470 -0.000 0.000 0.261 223 S C 1.172 175.754 174.600 -0.030 0.000 1.314 223 S CA -0.708 57.480 58.200 -0.020 0.000 0.992 223 S CB 0.630 63.747 63.200 -0.138 0.000 0.935 223 S HN 0.868 nan 8.310 nan 0.000 0.564 224 W N 1.006 122.318 121.300 0.021 0.000 2.363 224 W HA -0.172 4.488 4.660 -0.000 0.000 0.296 224 W C 1.200 177.683 176.519 -0.060 0.000 1.212 224 W CA 1.173 58.511 57.345 -0.012 0.000 1.260 224 W CB -1.195 28.381 29.460 0.192 0.000 1.131 224 W HN 0.664 nan 8.180 nan 0.000 0.530 225 Q N 1.148 120.339 119.800 -1.014 0.000 2.084 225 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 225 Q C 2.446 178.174 176.000 -0.453 0.000 0.978 225 Q CA 2.541 57.626 55.803 -1.198 0.000 0.844 225 Q CB -0.740 27.058 28.738 -1.566 0.000 0.898 225 Q HN 0.464 nan 8.270 nan 0.000 0.426 226 Q N -0.341 119.288 119.800 -0.285 0.000 2.124 226 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 226 Q C 2.082 178.067 176.000 -0.025 0.000 0.977 226 Q CA 1.180 56.918 55.803 -0.109 0.000 0.850 226 Q CB -0.197 28.493 28.738 -0.080 0.000 0.901 226 Q HN 0.445 nan 8.270 nan 0.000 0.429 227 A N 0.286 123.106 122.820 -0.000 0.000 1.898 227 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 227 A C 2.314 179.959 177.584 0.103 0.000 1.181 227 A CA 1.199 53.275 52.037 0.066 0.000 0.620 227 A CB -0.664 18.389 19.000 0.088 0.000 0.819 227 A HN 0.207 nan 8.150 nan 0.000 0.442 228 V N 0.847 120.824 119.914 0.105 0.000 2.332 228 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 228 V C 2.138 178.308 176.094 0.126 0.000 1.055 228 V CA 2.338 64.716 62.300 0.130 0.000 1.038 228 V CB -0.880 31.033 31.823 0.151 0.000 0.651 228 V HN 0.495 nan 8.190 nan 0.000 0.450 229 D N -0.143 120.324 120.400 0.112 0.000 2.149 229 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 229 D C 2.390 178.741 176.300 0.084 0.000 0.990 229 D CA 1.133 55.193 54.000 0.100 0.000 0.839 229 D CB -0.292 40.552 40.800 0.073 0.000 0.948 229 D HN 0.403 nan 8.370 nan 0.000 0.460 230 R N 0.176 120.728 120.500 0.086 0.000 2.105 230 R HA -0.085 4.254 4.340 -0.000 0.000 0.239 230 R C 2.295 178.665 176.300 0.117 0.000 1.135 230 R CA 0.737 56.893 56.100 0.092 0.000 0.967 230 R CB -0.231 30.123 30.300 0.091 0.000 0.861 230 R HN 0.136 nan 8.270 nan 0.000 0.442 231 V N 0.128 120.125 119.914 0.139 0.000 2.407 231 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 231 V C 2.298 178.476 176.094 0.140 0.000 1.041 231 V CA 1.260 63.660 62.300 0.167 0.000 1.040 231 V CB -0.182 31.772 31.823 0.218 0.000 0.671 231 V HN 0.092 nan 8.190 nan 0.000 0.455 232 V N -0.103 119.874 119.914 0.106 0.000 2.343 232 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 232 V C 2.217 178.349 176.094 0.063 0.000 1.051 232 V CA 1.915 64.258 62.300 0.073 0.000 1.036 232 V CB -0.710 31.133 31.823 0.033 0.000 0.654 232 V HN 0.594 nan 8.190 nan 0.000 0.451 233 Q N -0.242 119.599 119.800 0.068 0.000 2.444 233 Q HA 0.242 4.582 4.340 -0.000 0.000 0.206 233 Q C 1.562 177.609 176.000 0.078 0.000 0.948 233 Q CA 0.562 56.400 55.803 0.059 0.000 0.946 233 Q CB 0.330 29.101 28.738 0.054 0.000 1.027 233 Q HN 0.743 nan 8.270 nan 0.000 0.513 234 G N 1.630 110.496 108.800 0.110 0.000 2.160 234 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.251 234 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.251 234 G C 0.562 175.598 174.900 0.226 0.000 1.008 234 G CA 0.533 45.738 45.100 0.175 0.000 0.724 234 G HN 0.347 nan 8.290 nan 0.000 0.514 235 K N -0.326 120.168 120.400 0.155 0.000 2.404 235 K HA 0.559 4.879 4.320 -0.000 0.000 0.194 235 K C 0.898 177.554 176.600 0.093 0.000 1.023 235 K CA 0.800 57.157 56.287 0.116 0.000 1.094 235 K CB 0.633 33.181 32.500 0.081 0.000 0.841 235 K HN 0.829 nan 8.250 nan 0.000 0.523 236 A N -0.284 122.610 122.820 0.124 0.000 2.610 236 A HA 0.671 4.991 4.320 -0.000 0.000 0.291 236 A C -0.333 177.295 177.584 0.073 0.000 1.086 236 A CA -0.379 51.697 52.037 0.064 0.000 0.677 236 A CB 1.198 20.262 19.000 0.108 0.000 1.278 236 A HN -0.002 nan 8.150 nan 0.000 0.414 237 A N -0.213 122.518 122.820 -0.148 0.000 2.035 237 A HA 0.689 5.009 4.320 -0.000 0.000 0.208 237 A C 0.016 177.268 177.584 -0.554 0.000 1.206 237 A CA 0.860 52.632 52.037 -0.440 0.000 0.773 237 A CB -0.003 18.336 19.000 -1.103 0.000 0.878 237 A HN 0.841 nan 8.150 nan 0.000 0.469 238 F N -0.976 119.147 119.950 0.287 0.000 2.599 238 F HA 0.516 5.042 4.527 -0.000 0.000 0.311 238 F C -0.260 175.755 175.800 0.358 0.000 1.076 238 F CA -1.265 56.954 58.000 0.365 0.000 0.937 238 F CB 1.490 40.741 39.000 0.419 0.000 1.282 238 F HN 0.097 nan 8.300 nan 0.000 0.460 239 N N 1.646 120.703 118.700 0.595 0.000 2.287 239 N HA 0.450 5.190 4.740 -0.000 0.000 0.289 239 N C -2.091 173.709 175.510 0.483 0.000 1.066 239 N CA -0.407 52.932 53.050 0.481 0.000 0.841 239 N CB 1.888 40.625 38.487 0.416 0.000 1.599 239 N HN 0.421 nan 8.380 nan 0.000 0.476 240 I N 3.546 124.341 120.570 0.375 0.000 2.328 240 I HA 0.455 4.625 4.170 -0.000 0.000 0.287 240 I C -0.059 176.235 176.117 0.294 0.000 1.012 240 I CA -0.299 61.187 61.300 0.311 0.000 1.195 240 I CB 0.612 38.796 38.000 0.306 0.000 1.350 240 I HN 0.650 nan 8.210 nan 0.000 0.464 241 M N 4.773 124.537 119.600 0.273 0.000 2.643 241 M HA 0.596 5.076 4.480 -0.000 0.000 0.276 241 M C -0.567 175.633 176.300 -0.167 0.000 1.200 241 M CA -0.328 54.907 55.300 -0.109 0.000 0.863 241 M CB 1.907 34.474 32.600 -0.055 0.000 1.711 241 M HN 0.512 nan 8.290 nan 0.000 0.492 242 G N 0.979 109.176 108.800 -1.006 0.000 2.614 242 G HA2 0.317 4.277 3.960 -0.000 0.000 0.239 242 G HA3 0.317 4.277 3.960 -0.000 0.000 0.239 242 G C 0.055 174.152 174.900 -1.338 0.000 1.240 242 G CA 0.120 44.311 45.100 -1.515 0.000 0.842 242 G HN 0.920 nan 8.290 nan 0.000 0.584 243 D N -1.015 119.032 120.400 -0.588 0.000 2.378 243 D HA -0.122 4.518 4.640 -0.000 0.000 0.227 243 D C 1.706 177.882 176.300 -0.207 0.000 1.012 243 D CA 0.519 54.408 54.000 -0.185 0.000 0.905 243 D CB -0.504 40.356 40.800 0.100 0.000 0.895 243 D HN 0.736 nan 8.370 nan 0.000 0.532 244 W N 0.777 121.940 121.300 -0.229 0.000 2.341 244 W HA 0.040 4.700 4.660 -0.000 0.000 0.283 244 W C 2.086 178.421 176.519 -0.307 0.000 1.215 244 W CA 0.884 58.061 57.345 -0.279 0.000 1.211 244 W CB -0.895 28.217 29.460 -0.581 0.000 1.131 244 W HN 0.046 nan 8.180 nan 0.000 0.552 245 A N 1.704 124.136 122.820 -0.647 0.000 1.940 245 A HA -0.011 4.309 4.320 -0.000 0.000 0.219 245 A C 2.324 179.461 177.584 -0.746 0.000 1.176 245 A CA 2.788 54.470 52.037 -0.593 0.000 0.631 245 A CB -1.307 16.953 19.000 -1.234 0.000 0.814 245 A HN 0.460 nan 8.150 nan 0.000 0.446 246 A N -0.457 121.791 122.820 -0.954 0.000 1.902 246 A HA 0.125 4.444 4.320 -0.000 0.000 0.217 246 A C 2.440 179.873 177.584 -0.253 0.000 1.181 246 A CA 1.941 53.568 52.037 -0.683 0.000 0.623 246 A CB -1.442 17.182 19.000 -0.626 0.000 0.818 246 A HN 0.744 nan 8.150 nan 0.000 0.443 247 G N -1.441 107.312 108.800 -0.079 0.000 2.446 247 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 247 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 247 G C 1.570 176.523 174.900 0.089 0.000 1.168 247 G CA 1.395 46.530 45.100 0.058 0.000 0.771 247 G HN 0.597 nan 8.290 nan 0.000 0.551 248 Y N 0.969 121.282 120.300 0.022 0.000 2.145 248 Y HA -0.046 4.504 4.550 -0.000 0.000 0.286 248 Y C 2.848 178.689 175.900 -0.098 0.000 1.145 248 Y CA 1.855 59.973 58.100 0.030 0.000 1.148 248 Y CB -0.254 38.303 38.460 0.163 0.000 0.981 248 Y HN 0.161 nan 8.280 nan 0.000 0.507 249 M N -0.436 118.941 119.600 -0.372 0.000 2.229 249 M HA -0.150 4.329 4.480 -0.000 0.000 0.264 249 M C 1.998 178.140 176.300 -0.264 0.000 1.063 249 M CA 2.086 57.060 55.300 -0.544 0.000 1.114 249 M CB -0.426 31.608 32.600 -0.944 0.000 1.387 249 M HN 0.511 nan 8.290 nan 0.000 0.420 250 T N -3.283 111.208 114.554 -0.105 0.000 2.818 250 T HA -0.010 4.340 4.350 -0.000 0.000 0.246 250 T C 1.756 176.450 174.700 -0.011 0.000 1.036 250 T CA 1.444 63.572 62.100 0.048 0.000 1.160 250 T CB -0.840 68.109 68.868 0.134 0.000 0.869 250 T HN 0.151 nan 8.240 nan 0.000 0.419 251 T N 1.884 116.431 114.554 -0.012 0.000 2.746 251 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 251 T C 2.132 176.813 174.700 -0.033 0.000 1.039 251 T CA 1.950 64.046 62.100 -0.007 0.000 1.142 251 T CB -0.733 68.147 68.868 0.020 0.000 0.866 251 T HN 0.518 nan 8.240 nan 0.000 0.444 252 T N 1.588 116.090 114.554 -0.086 0.000 2.925 252 T HA 0.255 4.605 4.350 -0.000 0.000 0.245 252 T C 1.838 176.420 174.700 -0.197 0.000 1.025 252 T CA 0.453 62.480 62.100 -0.122 0.000 1.149 252 T CB -0.152 68.659 68.868 -0.095 0.000 0.866 252 T HN 0.206 nan 8.240 nan 0.000 0.437 253 L N 0.602 121.628 121.223 -0.327 0.000 2.558 253 L HA 0.194 4.534 4.340 -0.000 0.000 0.225 253 L C 0.408 177.206 176.870 -0.119 0.000 1.128 253 L CA 0.199 54.882 54.840 -0.261 0.000 0.868 253 L CB -0.237 41.596 42.059 -0.377 0.000 1.006 253 L HN 0.159 nan 8.230 nan 0.000 0.454 254 K N 0.334 120.688 120.400 -0.076 0.000 3.129 254 K HA -0.157 4.163 4.320 -0.000 0.000 0.273 254 K C -0.258 176.362 176.600 0.033 0.000 1.123 254 K CA 0.705 56.985 56.287 -0.011 0.000 0.800 254 K CB -2.403 30.088 32.500 -0.015 0.000 1.238 254 K HN 0.344 nan 8.250 nan 0.000 0.492 255 L N 1.155 122.422 121.223 0.075 0.000 2.399 255 L HA 0.250 4.590 4.340 -0.000 0.000 0.266 255 L C 0.975 177.998 176.870 0.256 0.000 1.114 255 L CA -0.657 54.292 54.840 0.182 0.000 0.804 255 L CB 0.622 42.849 42.059 0.281 0.000 1.146 255 L HN -0.152 nan 8.230 nan 0.000 0.451 256 K N 3.172 123.668 120.400 0.160 0.000 2.262 256 K HA 0.331 4.651 4.320 -0.000 0.000 0.282 256 K C -2.413 174.128 176.600 -0.099 0.000 1.066 256 K CA -1.901 54.426 56.287 0.066 0.000 0.901 256 K CB 0.925 33.441 32.500 0.026 0.000 1.089 256 K HN 0.235 nan 8.250 nan 0.000 0.476 257 P HA -0.034 nan 4.420 nan 0.000 0.268 257 P C 0.870 178.078 177.300 -0.152 0.000 1.205 257 P CA 0.646 63.488 63.100 -0.430 0.000 0.771 257 P CB 0.744 32.467 31.700 0.039 0.000 0.858 258 G N 2.483 111.103 108.800 -0.300 0.000 2.417 258 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.233 258 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.233 258 G C 1.041 175.788 174.900 -0.255 0.000 1.103 258 G CA 0.775 45.664 45.100 -0.352 0.000 0.647 258 G HN 0.500 nan 8.290 nan 0.000 0.512 259 T N 0.175 114.621 114.554 -0.179 0.000 3.053 259 T HA 0.179 4.529 4.350 -0.000 0.000 0.236 259 T C 1.647 176.312 174.700 -0.059 0.000 0.996 259 T CA 1.390 63.432 62.100 -0.097 0.000 1.185 259 T CB -0.104 68.733 68.868 -0.053 0.000 0.892 259 T HN 0.229 nan 8.240 nan 0.000 0.432 260 D N 0.864 121.247 120.400 -0.028 0.000 2.289 260 D HA 0.189 4.829 4.640 -0.000 0.000 0.207 260 D C 0.236 176.663 176.300 0.212 0.000 0.966 260 D CA 0.512 54.564 54.000 0.087 0.000 0.868 260 D CB 0.172 41.063 40.800 0.151 0.000 0.943 260 D HN 0.506 nan 8.370 nan 0.000 0.514 261 F N -1.235 118.757 119.950 0.070 0.000 2.685 261 F HA 0.775 5.302 4.527 -0.000 0.000 0.315 261 F C -1.171 174.646 175.800 0.028 0.000 1.126 261 F CA -1.525 56.520 58.000 0.075 0.000 0.950 261 F CB 1.172 40.267 39.000 0.158 0.000 1.360 261 F HN -0.177 nan 8.300 nan 0.000 0.469 262 A N 0.453 123.234 122.820 -0.065 0.000 2.552 262 A HA 0.919 5.239 4.320 -0.000 0.000 0.288 262 A C -2.335 175.065 177.584 -0.306 0.000 1.193 262 A CA -0.571 51.129 52.037 -0.562 0.000 0.713 262 A CB 1.217 19.670 19.000 -0.913 0.000 1.305 262 A HN 1.396 nan 8.150 nan 0.000 0.424 263 W N -2.364 118.750 121.300 -0.310 0.000 3.167 263 W HA 0.836 5.495 4.660 -0.000 0.000 0.324 263 W C -0.580 175.961 176.519 0.036 0.000 1.230 263 W CA -0.421 56.808 57.345 -0.194 0.000 1.184 263 W CB 1.164 30.491 29.460 -0.221 0.000 1.414 263 W HN 1.390 nan 8.180 nan 0.000 0.551 264 A N 1.800 124.737 122.820 0.195 0.000 2.594 264 A HA 0.915 5.235 4.320 -0.000 0.000 0.291 264 A C -2.971 174.599 177.584 -0.024 0.000 1.105 264 A CA -1.953 50.151 52.037 0.110 0.000 0.694 264 A CB 1.109 20.165 19.000 0.093 0.000 1.291 264 A HN 0.406 nan 8.150 nan 0.000 0.410 265 P HA 0.180 nan 4.420 nan 0.000 0.268 265 P C -0.076 177.108 177.300 -0.194 0.000 1.208 265 P CA 0.151 63.177 63.100 -0.124 0.000 0.777 265 P CB 0.427 32.066 31.700 -0.101 0.000 0.875 266 S N 3.414 118.985 115.700 -0.214 0.000 2.558 266 S HA 0.037 4.507 4.470 -0.000 0.000 0.293 266 S C -2.056 172.272 174.600 -0.454 0.000 1.292 266 S CA -0.372 57.659 58.200 -0.281 0.000 1.063 266 S CB -0.937 62.181 63.200 -0.136 0.000 0.831 266 S HN 0.368 nan 8.310 nan 0.000 0.499 267 P HA 0.035 nan 4.420 nan 0.000 0.259 267 P C 0.885 177.680 177.300 -0.842 0.000 1.163 267 P CA 1.310 63.807 63.100 -1.006 0.000 0.760 267 P CB -0.013 30.623 31.700 -1.772 0.000 0.762 268 G N 2.567 111.097 108.800 -0.451 0.000 2.148 268 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.254 268 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.254 268 G C 0.620 175.429 174.900 -0.152 0.000 0.981 268 G CA 0.620 45.580 45.100 -0.235 0.000 0.670 268 G HN 0.682 nan 8.290 nan 0.000 0.528 269 T N -2.879 111.569 114.554 -0.176 0.000 3.043 269 T HA 0.431 4.781 4.350 -0.000 0.000 0.272 269 T C 0.687 175.329 174.700 -0.096 0.000 0.990 269 T CA 0.502 62.527 62.100 -0.126 0.000 0.897 269 T CB 0.336 69.117 68.868 -0.144 0.000 1.111 269 T HN 0.452 nan 8.240 nan 0.000 0.529 270 Q N 0.946 120.686 119.800 -0.100 0.000 2.304 270 Q HA 0.354 4.694 4.340 -0.000 0.000 0.315 270 Q C 1.412 177.395 176.000 -0.029 0.000 1.075 270 Q CA 1.616 57.383 55.803 -0.061 0.000 0.988 270 Q CB 0.039 28.738 28.738 -0.065 0.000 1.146 270 Q HN 0.722 nan 8.270 nan 0.000 0.383 271 G N 1.135 109.936 108.800 0.002 0.000 2.195 271 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 271 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 271 G C -0.116 174.808 174.900 0.041 0.000 0.984 271 G CA 0.012 45.124 45.100 0.020 0.000 0.633 271 G HN 0.506 nan 8.290 nan 0.000 0.525 272 V N 0.317 120.254 119.914 0.039 0.000 2.604 272 V HA 0.724 4.844 4.120 -0.000 0.000 0.305 272 V C -0.594 175.576 176.094 0.127 0.000 1.043 272 V CA -0.817 61.525 62.300 0.069 0.000 0.888 272 V CB 2.047 33.876 31.823 0.009 0.000 0.995 272 V HN 0.393 nan 8.190 nan 0.000 0.429 273 F N 5.297 125.271 119.950 0.040 0.000 2.434 273 F HA 0.592 5.119 4.527 -0.000 0.000 0.355 273 F C 0.022 175.883 175.800 0.102 0.000 1.115 273 F CA -0.692 57.365 58.000 0.095 0.000 1.010 273 F CB 1.345 40.462 39.000 0.194 0.000 1.234 273 F HN 0.537 nan 8.300 nan 0.000 0.439 274 M N 9.161 128.841 119.600 0.134 0.000 2.135 274 M HA 0.314 4.794 4.480 -0.000 0.000 0.345 274 M C -0.900 175.554 176.300 0.257 0.000 1.340 274 M CA -0.712 54.669 55.300 0.136 0.000 1.162 274 M CB 0.542 33.088 32.600 -0.090 0.000 1.570 274 M HN 0.752 nan 8.290 nan 0.000 0.454 275 M N 5.847 125.711 119.600 0.440 0.000 2.471 275 M HA 0.839 5.319 4.480 -0.000 0.000 0.309 275 M C -1.367 175.102 176.300 0.282 0.000 1.186 275 M CA -0.449 55.136 55.300 0.475 0.000 1.008 275 M CB 1.193 34.114 32.600 0.535 0.000 1.551 275 M HN 0.643 nan 8.290 nan 0.000 0.477 276 L N -1.715 119.657 121.223 0.248 0.000 2.600 276 L HA 0.977 5.317 4.340 -0.000 0.000 0.257 276 L C -0.770 176.208 176.870 0.180 0.000 1.048 276 L CA -0.773 54.182 54.840 0.191 0.000 0.869 276 L CB 1.872 44.034 42.059 0.173 0.000 1.482 276 L HN 0.876 nan 8.230 nan 0.000 0.408 277 S N -0.289 115.523 115.700 0.187 0.000 2.668 277 S HA 0.468 4.937 4.470 -0.000 0.000 0.277 277 S C -1.606 173.123 174.600 0.216 0.000 1.170 277 S CA -0.646 57.641 58.200 0.145 0.000 0.994 277 S CB 1.125 64.353 63.200 0.045 0.000 1.051 277 S HN 0.740 nan 8.310 nan 0.000 0.484 278 D N 3.208 123.728 120.400 0.200 0.000 2.351 278 D HA 0.419 5.059 4.640 -0.000 0.000 0.251 278 D C 0.171 176.453 176.300 -0.028 0.000 1.137 278 D CA 0.396 54.452 54.000 0.094 0.000 0.879 278 D CB 1.495 42.446 40.800 0.250 0.000 1.181 278 D HN 0.588 nan 8.370 nan 0.000 0.448 279 S N 0.907 116.497 115.700 -0.183 0.000 2.627 279 S HA 0.741 5.211 4.470 -0.000 0.000 0.283 279 S C -1.000 173.349 174.600 -0.418 0.000 1.127 279 S CA -0.916 57.184 58.200 -0.167 0.000 0.863 279 S CB 1.317 64.477 63.200 -0.066 0.000 1.121 279 S HN 0.233 nan 8.310 nan 0.000 0.479 280 F N 0.297 120.221 119.950 -0.043 0.000 2.529 280 F HA 0.754 5.281 4.527 -0.000 0.000 0.320 280 F C 0.868 176.615 175.800 -0.089 0.000 1.118 280 F CA -0.147 57.814 58.000 -0.065 0.000 0.915 280 F CB 2.333 41.400 39.000 0.112 0.000 1.161 280 F HN 1.042 nan 8.300 nan 0.000 0.445 281 G N 1.466 110.208 108.800 -0.096 0.000 2.938 281 G HA2 0.618 4.578 3.960 -0.000 0.000 0.258 281 G HA3 0.618 4.578 3.960 -0.000 0.000 0.258 281 G C -2.027 172.842 174.900 -0.053 0.000 1.356 281 G CA -0.745 44.322 45.100 -0.053 0.000 1.052 281 G HN 0.487 nan 8.290 nan 0.000 0.550 282 L N 1.795 123.025 121.223 0.012 0.000 2.366 282 L HA 0.477 4.817 4.340 -0.000 0.000 0.266 282 L C -2.237 174.663 176.870 0.051 0.000 1.010 282 L CA -2.281 52.584 54.840 0.041 0.000 0.879 282 L CB 1.586 43.702 42.059 0.095 0.000 1.228 282 L HN 0.185 nan 8.230 nan 0.000 0.439 283 P HA 0.069 nan 4.420 nan 0.000 0.268 283 P C -0.862 176.488 177.300 0.082 0.000 1.205 283 P CA -0.118 63.032 63.100 0.084 0.000 0.771 283 P CB 0.490 32.257 31.700 0.113 0.000 0.858 284 K N 1.441 121.902 120.400 0.101 0.000 2.485 284 K HA 0.251 4.571 4.320 -0.000 0.000 0.277 284 K C 1.338 177.973 176.600 0.057 0.000 0.990 284 K CA 0.844 57.182 56.287 0.086 0.000 0.994 284 K CB -0.424 32.135 32.500 0.098 0.000 0.906 284 K HN 0.836 nan 8.250 nan 0.000 0.488 285 G N 0.880 109.707 108.800 0.045 0.000 2.176 285 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.253 285 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.253 285 G C 0.265 175.176 174.900 0.018 0.000 0.979 285 G CA 0.003 45.120 45.100 0.029 0.000 0.641 285 G HN 0.890 nan 8.290 nan 0.000 0.530 286 A N 0.118 122.952 122.820 0.022 0.000 2.567 286 A HA 0.484 4.804 4.320 -0.000 0.000 0.240 286 A C 1.400 178.989 177.584 0.008 0.000 1.053 286 A CA 1.517 53.562 52.037 0.012 0.000 0.755 286 A CB 0.157 19.168 19.000 0.018 0.000 0.978 286 A HN 0.523 nan 8.150 nan 0.000 0.507 287 K N 1.337 121.737 120.400 -0.000 0.000 2.148 287 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 287 K C -0.013 176.587 176.600 0.001 0.000 1.050 287 K CA 1.317 57.604 56.287 -0.000 0.000 0.942 287 K CB 0.021 32.519 32.500 -0.005 0.000 0.724 287 K HN 0.728 nan 8.250 nan 0.000 0.446 288 N N 0.871 119.568 118.700 -0.005 0.000 2.818 288 N HA 0.071 4.811 4.740 -0.000 0.000 0.301 288 N C 0.158 175.668 175.510 -0.000 0.000 1.821 288 N CA -0.047 53.000 53.050 -0.004 0.000 0.930 288 N CB 1.125 39.603 38.487 -0.015 0.000 1.263 288 N HN 0.113 nan 8.380 nan 0.000 0.487 289 R N 0.936 121.442 120.500 0.010 0.000 2.103 289 R HA -0.190 4.149 4.340 -0.000 0.000 0.242 289 R C 1.866 178.178 176.300 0.021 0.000 1.142 289 R CA 1.702 57.815 56.100 0.020 0.000 0.960 289 R CB 0.204 30.520 30.300 0.027 0.000 0.858 289 R HN 0.371 nan 8.270 nan 0.000 0.439 290 Q N -0.119 119.690 119.800 0.014 0.000 2.050 290 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 290 Q C 1.488 177.486 176.000 -0.004 0.000 0.980 290 Q CA 1.777 57.584 55.803 0.008 0.000 0.840 290 Q CB 0.041 28.782 28.738 0.005 0.000 0.898 290 Q HN 0.411 nan 8.270 nan 0.000 0.424 291 N N 0.280 118.979 118.700 -0.001 0.000 2.244 291 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 291 N C 1.523 177.051 175.510 0.030 0.000 1.016 291 N CA 1.162 54.218 53.050 0.010 0.000 0.866 291 N CB -0.359 38.149 38.487 0.035 0.000 0.980 291 N HN 0.318 nan 8.380 nan 0.000 0.430 292 A N 1.377 124.205 122.820 0.014 0.000 1.877 292 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 292 A C 2.312 179.969 177.584 0.121 0.000 1.186 292 A CA 0.908 52.971 52.037 0.044 0.000 0.620 292 A CB -0.706 18.309 19.000 0.025 0.000 0.822 292 A HN 0.191 nan 8.150 nan 0.000 0.443 293 I N 0.230 120.849 120.570 0.083 0.000 2.208 293 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 293 I C 2.129 178.303 176.117 0.094 0.000 1.097 293 I CA 1.258 62.611 61.300 0.089 0.000 1.363 293 I CB -0.474 37.558 38.000 0.053 0.000 1.051 293 I HN 0.300 nan 8.210 nan 0.000 0.413 294 N N 0.273 118.998 118.700 0.043 0.000 2.149 294 N HA -0.244 4.496 4.740 -0.000 0.000 0.188 294 N C 1.511 177.150 175.510 0.215 0.000 1.019 294 N CA 1.252 54.298 53.050 -0.008 0.000 0.857 294 N CB -0.458 37.718 38.487 -0.519 0.000 0.997 294 N HN 0.570 nan 8.380 nan 0.000 0.426 295 W N 2.045 123.384 121.300 0.065 0.000 2.335 295 W HA -0.132 4.528 4.660 -0.000 0.000 0.311 295 W C 1.592 178.117 176.519 0.010 0.000 1.213 295 W CA 0.831 58.159 57.345 -0.030 0.000 1.274 295 W CB -0.363 28.897 29.460 -0.334 0.000 1.148 295 W HN 0.035 nan 8.180 nan 0.000 0.498 296 L N 0.628 121.893 121.223 0.071 0.000 2.042 296 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 296 L C 2.810 179.788 176.870 0.180 0.000 1.076 296 L CA 1.672 56.548 54.840 0.062 0.000 0.749 296 L CB -1.015 41.170 42.059 0.209 0.000 0.893 296 L HN -0.053 nan 8.230 nan 0.000 0.432 297 R N -0.314 120.327 120.500 0.235 0.000 2.091 297 R HA -0.216 4.124 4.340 -0.000 0.000 0.238 297 R C 2.218 178.657 176.300 0.232 0.000 1.136 297 R CA 1.486 57.767 56.100 0.303 0.000 0.959 297 R CB -0.515 29.880 30.300 0.158 0.000 0.856 297 R HN 0.211 nan 8.270 nan 0.000 0.437 298 L N 0.498 121.766 121.223 0.075 0.000 2.044 298 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 298 L C 2.091 178.843 176.870 -0.197 0.000 1.075 298 L CA 1.472 56.296 54.840 -0.026 0.000 0.747 298 L CB -0.438 41.617 42.059 -0.007 0.000 0.903 298 L HN -0.113 nan 8.230 nan 0.000 0.435 299 V N 0.418 120.069 119.914 -0.438 0.000 2.317 299 V HA -0.274 3.846 4.120 -0.000 0.000 0.251 299 V C 2.301 178.245 176.094 -0.250 0.000 1.065 299 V CA 1.981 64.016 62.300 -0.441 0.000 1.049 299 V CB -1.455 30.054 31.823 -0.524 0.000 0.651 299 V HN 0.664 nan 8.190 nan 0.000 0.450 300 G N -0.422 108.216 108.800 -0.269 0.000 3.088 300 G HA2 0.098 4.058 3.960 -0.000 0.000 0.212 300 G HA3 0.098 4.058 3.960 -0.000 0.000 0.212 300 G C 0.554 175.339 174.900 -0.191 0.000 1.173 300 G CA 0.648 45.452 45.100 -0.494 0.000 0.779 300 G HN 0.625 nan 8.290 nan 0.000 0.540 301 S N -0.925 114.772 115.700 -0.005 0.000 2.617 301 S HA 0.380 4.849 4.470 -0.000 0.000 0.283 301 S C 1.114 175.715 174.600 0.001 0.000 1.189 301 S CA -0.582 57.656 58.200 0.063 0.000 1.036 301 S CB 2.452 65.702 63.200 0.082 0.000 1.014 301 S HN 0.142 nan 8.310 nan 0.000 0.522 302 K N 1.055 121.459 120.400 0.007 0.000 2.057 302 K HA -0.168 4.151 4.320 -0.000 0.000 0.207 302 K C 1.982 178.588 176.600 0.010 0.000 1.049 302 K CA 1.659 57.949 56.287 0.004 0.000 0.931 302 K CB -0.297 32.206 32.500 0.005 0.000 0.714 302 K HN 0.861 nan 8.250 nan 0.000 0.440 303 E N -0.493 119.711 120.200 0.006 0.000 2.058 303 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 303 E C 1.897 178.489 176.600 -0.013 0.000 0.997 303 E CA 1.436 57.835 56.400 -0.002 0.000 0.801 303 E CB -0.274 29.423 29.700 -0.004 0.000 0.746 303 E HN 0.506 nan 8.360 nan 0.000 0.450 304 G N 0.490 109.276 108.800 -0.022 0.000 2.433 304 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.216 304 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.216 304 G C 1.467 176.339 174.900 -0.048 0.000 1.186 304 G CA 0.895 45.963 45.100 -0.053 0.000 0.779 304 G HN 0.300 nan 8.290 nan 0.000 0.543 305 Q N -0.091 119.692 119.800 -0.028 0.000 2.124 305 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 305 Q C 1.869 177.897 176.000 0.046 0.000 0.977 305 Q CA 1.272 57.077 55.803 0.003 0.000 0.850 305 Q CB -0.019 28.733 28.738 0.023 0.000 0.901 305 Q HN 0.336 nan 8.270 nan 0.000 0.429 306 D N -0.697 119.728 120.400 0.042 0.000 2.333 306 D HA -0.020 4.619 4.640 -0.000 0.000 0.208 306 D C 1.461 177.706 176.300 -0.092 0.000 0.984 306 D CA 0.685 54.696 54.000 0.018 0.000 0.873 306 D CB 0.172 41.006 40.800 0.056 0.000 0.935 306 D HN 0.123 nan 8.370 nan 0.000 0.521 307 T N -0.435 114.084 114.554 -0.059 0.000 2.809 307 T HA -0.099 4.251 4.350 -0.000 0.000 0.260 307 T C 2.143 176.795 174.700 -0.080 0.000 1.039 307 T CA 1.589 63.648 62.100 -0.068 0.000 1.141 307 T CB -0.047 68.800 68.868 -0.036 0.000 0.869 307 T HN 0.214 nan 8.240 nan 0.000 0.437 308 S N 1.871 117.531 115.700 -0.067 0.000 2.404 308 S HA 0.024 4.494 4.470 -0.000 0.000 0.223 308 S C 1.931 176.477 174.600 -0.089 0.000 1.040 308 S CA 0.287 58.442 58.200 -0.075 0.000 0.957 308 S CB -0.449 62.706 63.200 -0.075 0.000 0.826 308 S HN 0.291 nan 8.310 nan 0.000 0.491 309 N N 3.066 121.733 118.700 -0.054 0.000 2.223 309 N HA 0.029 4.769 4.740 -0.000 0.000 0.185 309 N C -1.079 174.440 175.510 0.015 0.000 1.016 309 N CA 1.315 54.368 53.050 0.006 0.000 0.863 309 N CB -1.525 37.045 38.487 0.139 0.000 0.983 309 N HN 0.388 nan 8.380 nan 0.000 0.429 310 P HA -0.066 nan 4.420 nan 0.000 0.219 310 P C 1.483 178.737 177.300 -0.077 0.000 1.146 310 P CA 0.814 63.764 63.100 -0.250 0.000 0.808 310 P CB 0.002 31.410 31.700 -0.488 0.000 0.779 311 L N -1.360 119.822 121.223 -0.068 0.000 2.240 311 L HA -0.055 4.285 4.340 -0.000 0.000 0.211 311 L C 2.345 179.216 176.870 0.002 0.000 1.106 311 L CA 1.120 55.942 54.840 -0.030 0.000 0.793 311 L CB -0.451 41.583 42.059 -0.041 0.000 0.927 311 L HN -0.116 nan 8.230 nan 0.000 0.446 312 K N 0.038 120.434 120.400 -0.007 0.000 2.211 312 K HA 0.065 4.385 4.320 -0.000 0.000 0.201 312 K C 1.380 178.060 176.600 0.133 0.000 1.052 312 K CA 1.202 57.499 56.287 0.016 0.000 0.973 312 K CB 0.195 32.644 32.500 -0.086 0.000 0.766 312 K HN 0.188 nan 8.250 nan 0.000 0.466 313 G N -0.377 108.501 108.800 0.129 0.000 2.232 313 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.226 313 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.226 313 G C 0.226 175.257 174.900 0.219 0.000 0.996 313 G CA 0.432 45.638 45.100 0.177 0.000 0.626 313 G HN 0.537 nan 8.290 nan 0.000 0.509 314 S N 0.864 116.572 115.700 0.013 0.000 2.617 314 S HA 0.696 5.166 4.470 -0.000 0.000 0.259 314 S C 0.797 175.367 174.600 -0.050 0.000 1.301 314 S CA -0.042 57.994 58.200 -0.273 0.000 0.984 314 S CB 1.340 64.022 63.200 -0.862 0.000 0.954 314 S HN 1.433 nan 8.310 nan 0.000 0.572 315 I N -1.984 118.499 120.570 -0.146 0.000 3.062 315 I HA 0.809 4.979 4.170 -0.000 0.000 0.316 315 I C 0.265 176.264 176.117 -0.197 0.000 1.041 315 I CA -1.664 59.505 61.300 -0.219 0.000 1.069 315 I CB 0.962 38.762 38.000 -0.334 0.000 1.300 315 I HN 0.734 nan 8.210 nan 0.000 0.518 316 A N 1.876 124.588 122.820 -0.180 0.000 2.445 316 A HA 0.540 4.860 4.320 -0.000 0.000 0.242 316 A C 1.123 178.641 177.584 -0.109 0.000 1.075 316 A CA 0.214 52.207 52.037 -0.074 0.000 0.777 316 A CB 0.501 19.508 19.000 0.010 0.000 1.013 316 A HN 1.067 nan 8.150 nan 0.000 0.493 317 A N 2.285 125.095 122.820 -0.018 0.000 2.016 317 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 317 A C 1.348 179.127 177.584 0.324 0.000 1.162 317 A CA 0.496 52.581 52.037 0.079 0.000 0.662 317 A CB -0.140 18.870 19.000 0.016 0.000 0.812 317 A HN 0.789 nan 8.150 nan 0.000 0.450 318 R N -0.037 120.599 120.500 0.228 0.000 2.442 318 R HA 0.292 4.632 4.340 -0.000 0.000 0.291 318 R C 0.549 176.885 176.300 0.061 0.000 1.069 318 R CA -0.316 55.824 56.100 0.066 0.000 1.022 318 R CB 0.477 30.736 30.300 -0.068 0.000 0.976 318 R HN 0.368 nan 8.270 nan 0.000 0.443 319 L N 1.909 123.156 121.223 0.042 0.000 2.131 319 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 319 L C 1.600 178.480 176.870 0.016 0.000 1.092 319 L CA 1.279 56.149 54.840 0.050 0.000 0.759 319 L CB -0.319 41.759 42.059 0.031 0.000 0.903 319 L HN 0.709 nan 8.230 nan 0.000 0.435 320 D N -1.449 118.944 120.400 -0.011 0.000 2.328 320 D HA -0.035 4.605 4.640 -0.000 0.000 0.221 320 D C 0.918 177.223 176.300 0.009 0.000 1.072 320 D CA -0.051 53.945 54.000 -0.006 0.000 0.850 320 D CB -0.130 40.659 40.800 -0.018 0.000 0.922 320 D HN 0.008 nan 8.370 nan 0.000 0.516 321 S N 0.345 116.054 115.700 0.015 0.000 2.558 321 S HA -0.046 4.424 4.470 -0.000 0.000 0.287 321 S C -0.130 174.504 174.600 0.057 0.000 1.321 321 S CA -0.340 57.885 58.200 0.042 0.000 1.048 321 S CB 0.429 63.630 63.200 0.002 0.000 0.844 321 S HN 0.223 nan 8.310 nan 0.000 0.512 322 D N 4.628 125.102 120.400 0.124 0.000 2.411 322 D HA 0.326 4.966 4.640 -0.000 0.000 0.225 322 D C -1.305 175.118 176.300 0.205 0.000 1.156 322 D CA -2.315 51.758 54.000 0.122 0.000 0.874 322 D CB 1.319 42.178 40.800 0.099 0.000 1.034 322 D HN 0.269 nan 8.370 nan 0.000 0.502 323 P HA -0.185 nan 4.420 nan 0.000 0.218 323 P C 1.232 178.661 177.300 0.214 0.000 1.146 323 P CA 0.873 64.059 63.100 0.143 0.000 0.813 323 P CB 0.026 31.756 31.700 0.050 0.000 0.778 324 S N -0.676 115.109 115.700 0.142 0.000 2.469 324 S HA -0.081 4.389 4.470 -0.000 0.000 0.238 324 S C 1.676 176.325 174.600 0.081 0.000 0.998 324 S CA 0.712 58.971 58.200 0.098 0.000 0.957 324 S CB -0.752 62.483 63.200 0.058 0.000 0.764 324 S HN 0.035 nan 8.310 nan 0.000 0.514 325 K N 0.466 120.924 120.400 0.097 0.000 2.486 325 K HA 0.198 4.518 4.320 -0.000 0.000 0.194 325 K C -0.515 175.911 176.600 -0.291 0.000 1.033 325 K CA 0.315 56.540 56.287 -0.103 0.000 1.004 325 K CB -0.317 32.061 32.500 -0.204 0.000 0.798 325 K HN 0.580 nan 8.250 nan 0.000 0.495 326 Y N 1.298 121.605 120.300 0.012 0.000 2.446 326 Y HA 0.114 4.664 4.550 -0.000 0.000 0.338 326 Y C 0.940 176.857 175.900 0.029 0.000 1.055 326 Y CA -1.665 56.445 58.100 0.017 0.000 1.101 326 Y CB 0.952 39.413 38.460 0.002 0.000 1.221 326 Y HN 0.032 nan 8.280 nan 0.000 0.460 327 N N 0.864 119.660 118.700 0.161 0.000 2.290 327 N HA 0.135 4.875 4.740 -0.000 0.000 0.269 327 N C 1.004 176.604 175.510 0.150 0.000 1.295 327 N CA 0.254 53.387 53.050 0.138 0.000 0.932 327 N CB -0.012 38.556 38.487 0.136 0.000 1.128 327 N HN 0.685 nan 8.380 nan 0.000 0.532 328 A N -1.357 121.562 122.820 0.164 0.000 1.933 328 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 328 A C 2.080 179.772 177.584 0.179 0.000 1.175 328 A CA 1.424 53.591 52.037 0.217 0.000 0.628 328 A CB -1.378 17.809 19.000 0.311 0.000 0.814 328 A HN 0.732 nan 8.150 nan 0.000 0.444 329 Y N 0.647 120.886 120.300 -0.102 0.000 2.133 329 Y HA -0.011 4.539 4.550 -0.000 0.000 0.287 329 Y C 2.487 178.260 175.900 -0.213 0.000 1.134 329 Y CA 1.588 59.332 58.100 -0.593 0.000 1.133 329 Y CB -0.910 37.089 38.460 -0.768 0.000 0.987 329 Y HN 0.213 nan 8.280 nan 0.000 0.502 330 G N -0.239 108.485 108.800 -0.125 0.000 2.442 330 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.219 330 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.219 330 G C 1.460 176.246 174.900 -0.189 0.000 1.141 330 G CA 1.059 46.115 45.100 -0.073 0.000 0.763 330 G HN 0.533 nan 8.290 nan 0.000 0.554 331 Q N 0.003 119.762 119.800 -0.069 0.000 2.079 331 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 331 Q C 2.851 178.801 176.000 -0.083 0.000 0.974 331 Q CA 1.312 57.085 55.803 -0.050 0.000 0.840 331 Q CB -0.255 28.506 28.738 0.038 0.000 0.898 331 Q HN 0.503 nan 8.270 nan 0.000 0.430 332 S N 0.373 116.003 115.700 -0.116 0.000 2.368 332 S HA -0.175 4.294 4.470 -0.000 0.000 0.225 332 S C 2.012 176.528 174.600 -0.139 0.000 1.030 332 S CA 1.181 59.340 58.200 -0.068 0.000 0.999 332 S CB -0.176 63.071 63.200 0.078 0.000 0.844 332 S HN 0.454 nan 8.310 nan 0.000 0.459 333 A N 1.220 123.811 122.820 -0.383 0.000 1.933 333 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 333 A C 2.239 179.865 177.584 0.069 0.000 1.175 333 A CA 1.573 53.517 52.037 -0.154 0.000 0.628 333 A CB -0.638 18.183 19.000 -0.298 0.000 0.814 333 A HN 0.632 nan 8.150 nan 0.000 0.444 334 M N -1.128 118.437 119.600 -0.059 0.000 2.108 334 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 334 M C 2.405 178.750 176.300 0.074 0.000 1.066 334 M CA 1.575 56.870 55.300 -0.008 0.000 1.107 334 M CB -0.301 32.226 32.600 -0.121 0.000 1.356 334 M HN 0.362 nan 8.290 nan 0.000 0.406 335 R N 0.141 120.667 120.500 0.045 0.000 2.075 335 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 335 R C 1.721 178.069 176.300 0.079 0.000 1.126 335 R CA 1.385 57.514 56.100 0.049 0.000 0.963 335 R CB -0.383 29.939 30.300 0.038 0.000 0.858 335 R HN 0.348 nan 8.270 nan 0.000 0.435 336 D N -0.079 120.410 120.400 0.148 0.000 2.144 336 D HA -0.225 4.415 4.640 -0.000 0.000 0.199 336 D C 1.447 177.883 176.300 0.227 0.000 0.984 336 D CA 0.733 54.869 54.000 0.226 0.000 0.834 336 D CB -0.387 40.614 40.800 0.335 0.000 0.955 336 D HN 0.380 nan 8.370 nan 0.000 0.465 337 W N 1.590 122.847 121.300 -0.072 0.000 2.350 337 W HA -0.172 4.488 4.660 -0.000 0.000 0.289 337 W C 1.533 177.892 176.519 -0.267 0.000 1.215 337 W CA 0.826 57.883 57.345 -0.480 0.000 1.236 337 W CB 0.082 29.244 29.460 -0.497 0.000 1.130 337 W HN -0.021 nan 8.180 nan 0.000 0.541 338 R N -0.225 120.158 120.500 -0.195 0.000 2.246 338 R HA -0.057 4.283 4.340 -0.000 0.000 0.199 338 R C 2.448 178.628 176.300 -0.199 0.000 0.984 338 R CA 1.469 57.411 56.100 -0.263 0.000 1.015 338 R CB -0.013 30.221 30.300 -0.110 0.000 0.930 338 R HN 0.110 nan 8.270 nan 0.000 0.475 339 S N -0.875 114.753 115.700 -0.120 0.000 2.564 339 S HA 0.145 4.615 4.470 -0.000 0.000 0.231 339 S C 0.624 175.185 174.600 -0.065 0.000 1.067 339 S CA -0.505 57.649 58.200 -0.076 0.000 0.908 339 S CB 0.146 63.331 63.200 -0.024 0.000 0.809 339 S HN 0.015 nan 8.310 nan 0.000 0.491 340 N N 2.250 120.927 118.700 -0.039 0.000 2.381 340 N HA 0.265 5.005 4.740 -0.000 0.000 0.254 340 N C -0.242 175.252 175.510 -0.026 0.000 1.264 340 N CA -0.347 52.712 53.050 0.016 0.000 0.942 340 N CB 0.133 38.704 38.487 0.140 0.000 1.190 340 N HN 0.184 nan 8.380 nan 0.000 0.495 341 R N 1.388 121.896 120.500 0.013 0.000 2.442 341 R HA 0.164 4.504 4.340 -0.000 0.000 0.291 341 R C -0.717 175.617 176.300 0.057 0.000 1.069 341 R CA -0.204 55.903 56.100 0.012 0.000 1.022 341 R CB 0.017 30.332 30.300 0.025 0.000 0.976 341 R HN 0.445 nan 8.270 nan 0.000 0.443 342 I N 5.869 126.456 120.570 0.028 0.000 2.336 342 I HA 0.225 4.395 4.170 -0.000 0.000 0.292 342 I C 0.552 176.763 176.117 0.157 0.000 0.991 342 I CA -0.694 60.666 61.300 0.101 0.000 1.227 342 I CB 1.096 39.087 38.000 -0.016 0.000 1.366 342 I HN 0.318 nan 8.210 nan 0.000 0.466 343 V N 2.609 122.659 119.914 0.227 0.000 3.126 343 V HA 1.038 5.158 4.120 -0.000 0.000 0.314 343 V C 0.061 176.340 176.094 0.309 0.000 1.138 343 V CA -0.735 61.731 62.300 0.278 0.000 1.034 343 V CB 1.565 33.577 31.823 0.315 0.000 1.075 343 V HN 0.783 nan 8.190 nan 0.000 0.442 344 G N 0.199 109.213 108.800 0.356 0.000 2.434 344 G HA2 0.523 4.483 3.960 -0.000 0.000 0.330 344 G HA3 0.523 4.483 3.960 -0.000 0.000 0.330 344 G C -0.356 174.744 174.900 0.333 0.000 1.155 344 G CA -0.195 45.073 45.100 0.281 0.000 0.917 344 G HN 1.158 nan 8.290 nan 0.000 0.493 345 S N -0.051 115.773 115.700 0.207 0.000 2.548 345 S HA 0.129 4.599 4.470 -0.000 0.000 0.277 345 S C 1.348 175.984 174.600 0.061 0.000 1.315 345 S CA -0.686 57.628 58.200 0.189 0.000 1.050 345 S CB 0.941 64.266 63.200 0.208 0.000 0.918 345 S HN 0.645 nan 8.310 nan 0.000 0.497 346 L N 6.839 128.116 121.223 0.091 0.000 2.049 346 L HA 0.133 4.472 4.340 -0.000 0.000 0.203 346 L C 2.010 178.807 176.870 -0.122 0.000 1.074 346 L CA 1.743 56.453 54.840 -0.217 0.000 0.749 346 L CB -0.881 41.077 42.059 -0.168 0.000 0.907 346 L HN 0.588 nan 8.230 nan 0.000 0.439 347 V N 0.269 120.160 119.914 -0.038 0.000 2.626 347 V HA -0.185 3.935 4.120 -0.000 0.000 0.252 347 V C 1.414 177.218 176.094 -0.482 0.000 1.067 347 V CA 1.492 63.690 62.300 -0.170 0.000 1.081 347 V CB -1.080 30.701 31.823 -0.070 0.000 0.686 347 V HN 0.569 nan 8.190 nan 0.000 0.468 348 H N -0.586 118.459 119.070 -0.041 0.000 2.472 348 H HA 0.408 4.964 4.556 -0.000 0.000 0.287 348 H C 1.659 176.648 175.328 -0.564 0.000 1.112 348 H CA 0.699 56.525 56.048 -0.369 0.000 1.021 348 H CB 0.405 30.027 29.762 -0.233 0.000 1.635 348 H HN 0.428 nan 8.280 nan 0.000 0.559 349 G N 0.691 109.396 108.800 -0.157 0.000 2.199 349 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.254 349 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.254 349 G C 1.448 176.340 174.900 -0.013 0.000 0.982 349 G CA 0.497 45.589 45.100 -0.013 0.000 0.632 349 G HN 0.566 nan 8.290 nan 0.000 0.529 350 A N -0.117 122.679 122.820 -0.040 0.000 1.872 350 A HA 0.365 4.684 4.320 -0.000 0.000 0.214 350 A C 2.611 180.144 177.584 -0.085 0.000 1.187 350 A CA 3.496 55.529 52.037 -0.008 0.000 0.614 350 A CB -0.453 18.581 19.000 0.055 0.000 0.826 350 A HN 1.652 nan 8.150 nan 0.000 0.442 351 V N -5.193 114.572 119.914 -0.248 0.000 3.635 351 V HA 0.691 4.811 4.120 -0.000 0.000 0.266 351 V C 0.739 176.558 176.094 -0.458 0.000 1.316 351 V CA 0.373 62.436 62.300 -0.396 0.000 1.060 351 V CB -0.520 30.872 31.823 -0.719 0.000 0.820 351 V HN 0.688 nan 8.190 nan 0.000 0.447 352 A N 1.689 124.225 122.820 -0.474 0.000 2.401 352 A HA 0.918 5.238 4.320 -0.000 0.000 0.310 352 A C -2.989 174.519 177.584 -0.127 0.000 1.075 352 A CA -2.062 49.779 52.037 -0.326 0.000 0.746 352 A CB 1.270 19.956 19.000 -0.524 0.000 1.277 352 A HN 0.203 nan 8.150 nan 0.000 0.425 353 P HA 0.074 nan 4.420 nan 0.000 0.272 353 P C 0.314 177.624 177.300 0.016 0.000 1.230 353 P CA 0.044 63.129 63.100 -0.025 0.000 0.788 353 P CB 0.854 32.545 31.700 -0.015 0.000 0.949 354 E N 1.029 121.210 120.200 -0.033 0.000 2.204 354 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 354 E C 1.709 178.298 176.600 -0.018 0.000 0.990 354 E CA 1.503 57.883 56.400 -0.034 0.000 0.821 354 E CB -0.108 29.535 29.700 -0.096 0.000 0.750 354 E HN 0.490 nan 8.360 nan 0.000 0.477 355 S N -0.249 115.444 115.700 -0.010 0.000 2.399 355 S HA -0.178 4.292 4.470 -0.000 0.000 0.231 355 S C 1.789 176.421 174.600 0.053 0.000 1.022 355 S CA 0.840 59.040 58.200 -0.000 0.000 0.983 355 S CB -0.458 62.742 63.200 0.001 0.000 0.803 355 S HN 0.414 nan 8.310 nan 0.000 0.480 356 F N 1.794 121.730 119.950 -0.024 0.000 2.179 356 F HA 0.265 4.792 4.527 -0.000 0.000 0.292 356 F C 2.361 178.169 175.800 0.013 0.000 1.089 356 F CA 0.860 58.864 58.000 0.007 0.000 1.295 356 F CB -0.291 38.736 39.000 0.044 0.000 1.041 356 F HN 0.054 nan 8.300 nan 0.000 0.487 357 M N 0.307 120.020 119.600 0.189 0.000 2.106 357 M HA -0.264 4.216 4.480 -0.000 0.000 0.259 357 M C 2.375 178.682 176.300 0.011 0.000 1.068 357 M CA 2.254 57.610 55.300 0.094 0.000 1.100 357 M CB -0.752 31.872 32.600 0.041 0.000 1.351 357 M HN 0.360 nan 8.290 nan 0.000 0.404 358 S N -0.226 115.457 115.700 -0.029 0.000 2.423 358 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 358 S C 1.663 176.218 174.600 -0.075 0.000 1.014 358 S CA 1.022 59.191 58.200 -0.051 0.000 0.965 358 S CB -0.462 62.700 63.200 -0.063 0.000 0.785 358 S HN 0.605 nan 8.310 nan 0.000 0.495 359 Q N -0.935 118.787 119.800 -0.131 0.000 2.356 359 Q HA 0.295 4.635 4.340 -0.000 0.000 0.205 359 Q C 1.234 177.109 176.000 -0.208 0.000 0.901 359 Q CA -0.014 55.684 55.803 -0.175 0.000 0.938 359 Q CB -0.142 28.468 28.738 -0.213 0.000 1.081 359 Q HN 0.588 nan 8.270 nan 0.000 0.517 360 F N 1.252 120.971 119.950 -0.387 0.000 2.293 360 F HA 0.006 4.533 4.527 -0.000 0.000 0.300 360 F C 1.989 177.674 175.800 -0.191 0.000 1.086 360 F CA 1.331 59.106 58.000 -0.376 0.000 1.375 360 F CB -0.320 38.498 39.000 -0.304 0.000 1.045 360 F HN 0.048 nan 8.300 nan 0.000 0.516 361 G N -0.906 107.835 108.800 -0.099 0.000 2.442 361 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.219 361 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.219 361 G C 1.676 176.476 174.900 -0.166 0.000 1.141 361 G CA 1.465 46.504 45.100 -0.102 0.000 0.763 361 G HN 0.369 nan 8.290 nan 0.000 0.554 362 T N 0.736 115.182 114.554 -0.181 0.000 2.821 362 T HA -0.071 4.278 4.350 -0.000 0.000 0.267 362 T C 2.559 177.115 174.700 -0.241 0.000 1.046 362 T CA 1.075 63.070 62.100 -0.175 0.000 1.139 362 T CB -0.170 68.606 68.868 -0.153 0.000 0.871 362 T HN 0.087 nan 8.240 nan 0.000 0.454 363 V N 1.560 121.254 119.914 -0.367 0.000 2.295 363 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 363 V C 2.485 178.310 176.094 -0.449 0.000 1.049 363 V CA 1.775 63.794 62.300 -0.468 0.000 1.024 363 V CB -0.636 30.797 31.823 -0.649 0.000 0.648 363 V HN 0.379 nan 8.190 nan 0.000 0.447 364 M N 0.622 119.932 119.600 -0.484 0.000 2.108 364 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 364 M C 1.957 178.247 176.300 -0.018 0.000 1.066 364 M CA 2.119 57.296 55.300 -0.204 0.000 1.107 364 M CB -0.655 31.833 32.600 -0.187 0.000 1.356 364 M HN 0.381 nan 8.290 nan 0.000 0.406 365 E N 0.026 120.181 120.200 -0.075 0.000 2.072 365 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 365 E C 1.816 178.385 176.600 -0.051 0.000 0.985 365 E CA 1.709 58.088 56.400 -0.035 0.000 0.801 365 E CB -0.544 29.125 29.700 -0.051 0.000 0.750 365 E HN 0.670 nan 8.360 nan 0.000 0.452 366 I N -0.060 120.448 120.570 -0.103 0.000 2.163 366 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 366 I C 2.128 178.185 176.117 -0.101 0.000 1.085 366 I CA 1.370 62.598 61.300 -0.120 0.000 1.347 366 I CB -0.361 37.536 38.000 -0.170 0.000 1.044 366 I HN 0.154 nan 8.210 nan 0.000 0.408 367 F N 1.363 121.187 119.950 -0.211 0.000 2.134 367 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 367 F C 2.222 178.033 175.800 0.017 0.000 1.097 367 F CA 1.535 59.464 58.000 -0.119 0.000 1.264 367 F CB -0.191 38.765 39.000 -0.073 0.000 1.001 367 F HN -0.106 nan 8.300 nan 0.000 0.479 368 L N -0.350 120.937 121.223 0.106 0.000 2.042 368 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 368 L C 2.525 179.340 176.870 -0.092 0.000 1.076 368 L CA 1.153 56.018 54.840 0.041 0.000 0.749 368 L CB -0.862 41.254 42.059 0.095 0.000 0.893 368 L HN 0.198 nan 8.230 nan 0.000 0.432 369 Q N -0.523 119.216 119.800 -0.101 0.000 2.137 369 Q HA -0.104 4.235 4.340 -0.000 0.000 0.198 369 Q C 2.277 178.184 176.000 -0.156 0.000 0.960 369 Q CA 2.070 57.809 55.803 -0.107 0.000 0.847 369 Q CB -0.250 28.438 28.738 -0.084 0.000 0.915 369 Q HN 0.651 nan 8.270 nan 0.000 0.448 370 T N -2.907 111.514 114.554 -0.221 0.000 3.023 370 T HA 0.115 4.465 4.350 -0.000 0.000 0.249 370 T C 0.606 175.096 174.700 -0.351 0.000 1.050 370 T CA -0.272 61.689 62.100 -0.231 0.000 1.088 370 T CB 0.330 69.085 68.868 -0.189 0.000 0.946 370 T HN 0.034 nan 8.240 nan 0.000 0.480 371 R N 1.787 121.879 120.500 -0.680 0.000 3.516 371 R HA -0.128 4.212 4.340 -0.000 0.000 0.271 371 R C -0.525 175.420 176.300 -0.591 0.000 1.098 371 R CA 0.527 55.956 56.100 -1.119 0.000 0.732 371 R CB -2.983 26.987 30.300 -0.549 0.000 1.152 371 R HN 0.599 nan 8.270 nan 0.000 0.455 372 N N 0.869 119.349 118.700 -0.366 0.000 2.485 372 N HA 0.217 4.957 4.740 -0.000 0.000 0.243 372 N C -1.702 173.898 175.510 0.151 0.000 0.987 372 N CA -2.204 50.818 53.050 -0.047 0.000 0.940 372 N CB 1.411 39.848 38.487 -0.082 0.000 1.122 372 N HN -0.132 nan 8.380 nan 0.000 0.509 373 P HA -0.124 nan 4.420 nan 0.000 0.215 373 P C 1.132 178.474 177.300 0.071 0.000 1.153 373 P CA 1.118 64.412 63.100 0.324 0.000 0.853 373 P CB 0.495 32.424 31.700 0.382 0.000 0.788 374 Q N -0.161 119.680 119.800 0.069 0.000 2.119 374 Q HA -0.077 4.263 4.340 -0.000 0.000 0.201 374 Q C 2.075 178.047 176.000 -0.047 0.000 0.972 374 Q CA 1.871 57.691 55.803 0.027 0.000 0.847 374 Q CB -1.244 27.518 28.738 0.040 0.000 0.903 374 Q HN 0.116 nan 8.270 nan 0.000 0.433 375 A N -0.145 122.629 122.820 -0.076 0.000 1.930 375 A HA 0.009 4.328 4.320 -0.000 0.000 0.217 375 A C 2.196 179.648 177.584 -0.220 0.000 1.175 375 A CA 1.614 53.580 52.037 -0.118 0.000 0.627 375 A CB -0.908 18.027 19.000 -0.108 0.000 0.815 375 A HN 0.468 nan 8.150 nan 0.000 0.443 376 A N -0.113 122.482 122.820 -0.375 0.000 1.872 376 A HA 0.261 4.581 4.320 -0.000 0.000 0.214 376 A C 2.513 179.716 177.584 -0.636 0.000 1.187 376 A CA 1.793 53.369 52.037 -0.768 0.000 0.614 376 A CB -1.062 16.978 19.000 -1.599 0.000 0.826 376 A HN 0.991 nan 8.150 nan 0.000 0.442 377 A N 0.575 123.126 122.820 -0.448 0.000 1.883 377 A HA -0.245 4.074 4.320 -0.000 0.000 0.217 377 A C 1.927 179.544 177.584 0.055 0.000 1.186 377 A CA 2.013 54.082 52.037 0.055 0.000 0.624 377 A CB -0.752 18.375 19.000 0.211 0.000 0.822 377 A HN 0.534 nan 8.150 nan 0.000 0.444 378 N N 0.387 119.075 118.700 -0.020 0.000 2.104 378 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 378 N C 1.841 177.322 175.510 -0.048 0.000 1.024 378 N CA 1.714 54.757 53.050 -0.012 0.000 0.853 378 N CB -0.613 37.857 38.487 -0.029 0.000 1.008 378 N HN 0.495 nan 8.380 nan 0.000 0.424 379 A N 0.680 123.428 122.820 -0.120 0.000 1.930 379 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 379 A C 2.344 179.836 177.584 -0.153 0.000 1.175 379 A CA 1.706 53.656 52.037 -0.146 0.000 0.627 379 A CB -0.730 18.146 19.000 -0.207 0.000 0.815 379 A HN 0.310 nan 8.150 nan 0.000 0.443 380 A N -0.913 121.812 122.820 -0.159 0.000 1.877 380 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 380 A C 2.156 179.608 177.584 -0.218 0.000 1.186 380 A CA 2.087 53.986 52.037 -0.231 0.000 0.620 380 A CB -0.540 18.329 19.000 -0.218 0.000 0.822 380 A HN 0.490 nan 8.150 nan 0.000 0.443 381 Q N -0.163 119.626 119.800 -0.018 0.000 2.124 381 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 381 Q C 2.056 178.099 176.000 0.072 0.000 0.977 381 Q CA 2.043 57.923 55.803 0.129 0.000 0.850 381 Q CB -0.665 28.183 28.738 0.183 0.000 0.901 381 Q HN 0.576 nan 8.270 nan 0.000 0.429 382 A N 0.152 122.981 122.820 0.015 0.000 1.940 382 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 382 A C 1.832 179.419 177.584 0.006 0.000 1.176 382 A CA 1.573 53.611 52.037 0.002 0.000 0.631 382 A CB -0.624 18.358 19.000 -0.030 0.000 0.814 382 A HN 0.434 nan 8.150 nan 0.000 0.446 383 I N -0.199 120.361 120.570 -0.017 0.000 2.233 383 I HA -0.150 4.020 4.170 -0.000 0.000 0.243 383 I C 2.970 179.187 176.117 0.166 0.000 1.093 383 I CA 1.188 62.485 61.300 -0.005 0.000 1.380 383 I CB -1.824 36.054 38.000 -0.203 0.000 1.067 383 I HN 0.335 nan 8.210 nan 0.000 0.413 384 A N 0.957 123.942 122.820 0.274 0.000 1.917 384 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 384 A C 2.004 179.686 177.584 0.164 0.000 1.182 384 A CA 2.317 54.531 52.037 0.294 0.000 0.633 384 A CB -0.750 18.437 19.000 0.311 0.000 0.819 384 A HN 0.386 nan 8.150 nan 0.000 0.448 385 D N -1.153 119.317 120.400 0.117 0.000 2.117 385 D HA -0.147 4.492 4.640 -0.000 0.000 0.198 385 D C 2.087 178.421 176.300 0.056 0.000 0.982 385 D CA 1.436 55.480 54.000 0.074 0.000 0.828 385 D CB -0.391 40.443 40.800 0.055 0.000 0.967 385 D HN 0.713 nan 8.370 nan 0.000 0.464 386 Q N 0.714 120.545 119.800 0.053 0.000 2.050 386 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 386 Q C 2.105 178.130 176.000 0.041 0.000 0.980 386 Q CA 1.719 57.542 55.803 0.033 0.000 0.840 386 Q CB 0.168 28.916 28.738 0.016 0.000 0.898 386 Q HN 0.287 nan 8.270 nan 0.000 0.424 387 V N -2.775 117.183 119.914 0.074 0.000 3.306 387 V HA 0.281 4.401 4.120 -0.000 0.000 0.264 387 V C 0.978 177.111 176.094 0.064 0.000 1.149 387 V CA 0.882 63.227 62.300 0.075 0.000 1.143 387 V CB -0.565 31.336 31.823 0.131 0.000 0.767 387 V HN 0.464 nan 8.190 nan 0.000 0.476 388 G N 1.281 110.120 108.800 0.066 0.000 2.351 388 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.297 388 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.297 388 G C -0.185 174.741 174.900 0.043 0.000 1.054 388 G CA 0.386 45.514 45.100 0.047 0.000 1.123 388 G HN 0.643 nan 8.290 nan 0.000 0.512 389 L N -0.511 120.744 121.223 0.054 0.000 2.559 389 L HA 0.303 4.642 4.340 -0.000 0.000 0.282 389 L C 1.802 178.675 176.870 0.006 0.000 1.232 389 L CA 1.666 56.522 54.840 0.027 0.000 0.885 389 L CB 0.465 42.526 42.059 0.002 0.000 1.131 389 L HN 1.423 nan 8.230 nan 0.000 0.498 390 G N 2.528 111.332 108.800 0.006 0.000 2.157 390 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.239 390 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.239 390 G C 0.968 175.874 174.900 0.011 0.000 0.982 390 G CA 0.482 45.583 45.100 0.001 0.000 0.650 390 G HN 0.821 nan 8.290 nan 0.000 0.527 391 R N -0.676 119.834 120.500 0.016 0.000 2.156 391 R HA 0.552 4.892 4.340 -0.000 0.000 0.207 391 R C 1.524 177.844 176.300 0.034 0.000 1.040 391 R CA 0.075 56.188 56.100 0.022 0.000 1.013 391 R CB 0.080 30.392 30.300 0.019 0.000 0.931 391 R HN 0.394 nan 8.270 nan 0.000 0.465 392 L N 0.000 121.239 121.223 0.026 0.000 2.949 392 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 392 L CA 0.000 54.863 54.840 0.038 0.000 0.813 392 L CB 0.000 42.041 42.059 -0.029 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502