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 2r5h_1_F DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.666 177.584 0.137 0.000 1.274 20 A CA 0.000 52.071 52.037 0.057 0.000 0.836 20 A CB 0.000 19.037 19.000 0.062 0.000 0.831 21 V N 2.145 122.065 119.914 0.011 0.000 2.716 21 V HA 0.810 4.930 4.120 -0.000 0.000 0.304 21 V C 0.236 176.397 176.094 0.111 0.000 1.053 21 V CA -0.055 62.273 62.300 0.048 0.000 0.984 21 V CB 1.743 33.299 31.823 -0.446 0.000 1.021 21 V HN 1.636 nan 8.190 nan 0.000 0.467 22 V N 0.319 120.449 119.914 0.359 0.000 2.851 22 V HA 0.619 4.739 4.120 -0.000 0.000 0.307 22 V C -0.106 176.392 176.094 0.673 0.000 1.129 22 V CA -0.776 61.787 62.300 0.438 0.000 0.932 22 V CB 1.425 33.350 31.823 0.169 0.000 1.024 22 V HN 0.923 nan 8.190 nan 0.000 0.426 23 S N 2.872 118.914 115.700 0.569 0.000 3.805 23 S HA -0.109 4.361 4.470 -0.000 0.000 0.456 23 S C 1.623 176.388 174.600 0.274 0.000 1.125 23 S CA 0.961 59.328 58.200 0.278 0.000 0.905 23 S CB 0.129 63.387 63.200 0.097 0.000 0.653 23 S HN 2.062 nan 8.310 nan 0.000 0.483 24 T N 1.608 116.273 114.554 0.186 0.000 2.962 24 T HA -0.066 4.284 4.350 -0.000 0.000 0.270 24 T C 1.153 175.664 174.700 -0.315 0.000 1.088 24 T CA 1.104 63.052 62.100 -0.254 0.000 1.127 24 T CB -0.339 68.428 68.868 -0.168 0.000 0.883 24 T HN 0.639 nan 8.240 nan 0.000 0.493 25 D N 1.499 121.845 120.400 -0.090 0.000 2.362 25 D HA -0.077 4.563 4.640 -0.000 0.000 0.215 25 D C 1.947 178.225 176.300 -0.037 0.000 0.978 25 D CA 0.748 54.707 54.000 -0.067 0.000 0.921 25 D CB -0.060 40.728 40.800 -0.019 0.000 0.895 25 D HN 0.662 nan 8.370 nan 0.000 0.494 26 E N -0.827 119.377 120.200 0.007 0.000 2.022 26 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 26 E C 1.784 178.463 176.600 0.131 0.000 0.973 26 E CA 0.416 56.879 56.400 0.105 0.000 0.816 26 E CB -0.156 29.663 29.700 0.199 0.000 0.781 26 E HN 0.492 nan 8.360 nan 0.000 0.456 27 Y N -0.360 119.994 120.300 0.091 0.000 2.490 27 Y HA 0.283 4.833 4.550 -0.000 0.000 0.281 27 Y C 0.268 176.267 175.900 0.166 0.000 1.174 27 Y CA -0.406 57.765 58.100 0.118 0.000 1.295 27 Y CB 0.036 38.574 38.460 0.130 0.000 1.062 27 Y HN -0.292 nan 8.280 nan 0.000 0.522 28 V N 1.681 121.484 119.914 -0.185 0.000 2.483 28 V HA 0.729 4.849 4.120 -0.000 0.000 0.295 28 V C 0.199 176.270 176.094 -0.039 0.000 1.035 28 V CA -1.227 61.028 62.300 -0.076 0.000 0.896 28 V CB 1.097 32.815 31.823 -0.175 0.000 0.986 28 V HN 0.353 nan 8.190 nan 0.000 0.447 29 A N 5.154 127.974 122.820 -0.000 0.000 2.301 29 A HA 0.662 4.982 4.320 -0.000 0.000 0.298 29 A C 0.166 177.720 177.584 -0.050 0.000 1.185 29 A CA -0.539 51.489 52.037 -0.015 0.000 0.830 29 A CB 0.271 19.276 19.000 0.009 0.000 1.112 29 A HN 0.848 nan 8.150 nan 0.000 0.508 30 R N 1.614 122.081 120.500 -0.055 0.000 2.255 30 R HA 0.443 4.783 4.340 -0.000 0.000 0.326 30 R C 0.369 176.602 176.300 -0.111 0.000 0.986 30 R CA -0.174 55.879 56.100 -0.079 0.000 0.847 30 R CB 1.494 31.764 30.300 -0.049 0.000 1.111 30 R HN 0.867 nan 8.270 nan 0.000 0.452 31 T N -1.321 113.120 114.554 -0.188 0.000 2.897 31 T HA 0.153 4.503 4.350 -0.000 0.000 0.278 31 T C 0.570 175.093 174.700 -0.295 0.000 0.981 31 T CA -0.792 61.163 62.100 -0.240 0.000 0.973 31 T CB 1.069 69.710 68.868 -0.378 0.000 1.092 31 T HN 0.504 nan 8.240 nan 0.000 0.543 32 N N 0.975 119.509 118.700 -0.276 0.000 2.575 32 N HA 0.191 4.931 4.740 -0.000 0.000 0.275 32 N C -0.781 174.494 175.510 -0.392 0.000 1.202 32 N CA -0.221 52.642 53.050 -0.313 0.000 0.945 32 N CB -0.022 38.389 38.487 -0.127 0.000 1.247 32 N HN 0.460 nan 8.380 nan 0.000 0.510 33 I N 1.615 121.866 120.570 -0.530 0.000 2.362 33 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 33 I C -0.686 175.280 176.117 -0.251 0.000 0.994 33 I CA -0.529 60.566 61.300 -0.343 0.000 1.158 33 I CB 0.625 38.413 38.000 -0.354 0.000 1.315 33 I HN 0.055 nan 8.210 nan 0.000 0.451 34 Y N 6.018 126.404 120.300 0.143 0.000 2.329 34 Y HA 0.433 4.983 4.550 -0.000 0.000 0.328 34 Y C -0.698 175.307 175.900 0.176 0.000 0.992 34 Y CA -0.786 57.473 58.100 0.264 0.000 1.151 34 Y CB 1.939 40.571 38.460 0.286 0.000 1.150 34 Y HN 0.375 nan 8.280 nan 0.000 0.450 35 Y N 1.938 122.568 120.300 0.550 0.000 2.487 35 Y HA 0.315 4.864 4.550 -0.000 0.000 0.337 35 Y C 0.127 176.117 175.900 0.150 0.000 1.076 35 Y CA -0.814 57.489 58.100 0.338 0.000 1.115 35 Y CB 1.230 39.855 38.460 0.274 0.000 1.235 35 Y HN 0.539 nan 8.280 nan 0.000 0.468 36 H N 1.705 120.889 119.070 0.191 0.000 2.483 36 H HA 0.832 5.387 4.556 -0.000 0.000 0.338 36 H C -1.568 173.580 175.328 -0.300 0.000 1.152 36 H CA -0.579 55.451 56.048 -0.031 0.000 1.264 36 H CB 1.515 31.293 29.762 0.026 0.000 1.510 36 H HN 0.796 nan 8.280 nan 0.000 0.530 37 A N 2.615 124.918 122.820 -0.862 0.000 2.532 37 A HA 0.589 4.909 4.320 -0.000 0.000 0.296 37 A C -1.011 176.327 177.584 -0.410 0.000 1.058 37 A CA 0.034 51.746 52.037 -0.541 0.000 0.729 37 A CB 1.273 19.751 19.000 -0.870 0.000 1.285 37 A HN 0.975 nan 8.150 nan 0.000 0.396 38 G N 0.616 109.296 108.800 -0.200 0.000 2.702 38 G HA2 0.672 4.632 3.960 -0.000 0.000 0.296 38 G HA3 0.672 4.632 3.960 -0.000 0.000 0.296 38 G C -0.304 174.605 174.900 0.015 0.000 1.463 38 G CA 0.250 45.344 45.100 -0.010 0.000 0.890 38 G HN 1.703 nan 8.290 nan 0.000 0.534 39 T N -0.721 113.856 114.554 0.038 0.000 2.934 39 T HA 0.285 4.635 4.350 -0.000 0.000 0.306 39 T C 1.847 176.568 174.700 0.034 0.000 1.042 39 T CA 0.758 62.877 62.100 0.031 0.000 1.145 39 T CB 1.203 70.074 68.868 0.004 0.000 0.982 39 T HN 1.436 nan 8.240 nan 0.000 0.544 40 S N 2.686 118.420 115.700 0.056 0.000 2.402 40 S HA -0.078 4.391 4.470 -0.000 0.000 0.229 40 S C 0.971 175.606 174.600 0.057 0.000 1.021 40 S CA 0.504 58.743 58.200 0.065 0.000 0.974 40 S CB -0.403 62.845 63.200 0.080 0.000 0.800 40 S HN 1.038 nan 8.310 nan 0.000 0.484 41 R N -0.024 120.513 120.500 0.062 0.000 3.283 41 R HA 0.189 4.529 4.340 -0.000 0.000 0.306 41 R C -1.612 174.751 176.300 0.106 0.000 0.914 41 R CA -0.283 55.858 56.100 0.068 0.000 0.987 41 R CB -0.325 30.016 30.300 0.068 0.000 1.407 41 R HN 0.307 nan 8.270 nan 0.000 0.382 42 L N 3.400 124.684 121.223 0.102 0.000 2.467 42 L HA 0.381 4.721 4.340 -0.000 0.000 0.270 42 L C -0.319 176.714 176.870 0.271 0.000 1.205 42 L CA -0.187 54.760 54.840 0.178 0.000 0.828 42 L CB 0.643 42.671 42.059 -0.052 0.000 1.101 42 L HN 0.490 nan 8.230 nan 0.000 0.479 43 L N 1.849 123.314 121.223 0.403 0.000 2.545 43 L HA 0.711 5.051 4.340 -0.000 0.000 0.258 43 L C -1.002 176.086 176.870 0.363 0.000 0.942 43 L CA -0.113 54.908 54.840 0.302 0.000 0.855 43 L CB 1.930 44.097 42.059 0.181 0.000 1.374 43 L HN 0.665 nan 8.230 nan 0.000 0.411 44 A N 3.161 126.130 122.820 0.249 0.000 2.449 44 A HA 0.956 5.276 4.320 -0.000 0.000 0.302 44 A C -1.781 175.821 177.584 0.029 0.000 1.048 44 A CA -0.564 51.561 52.037 0.146 0.000 0.708 44 A CB 2.044 21.167 19.000 0.205 0.000 1.274 44 A HN 0.530 nan 8.150 nan 0.000 0.410 45 V N 0.896 120.808 119.914 -0.003 0.000 2.777 45 V HA 0.859 4.979 4.120 -0.000 0.000 0.306 45 V C 0.431 176.521 176.094 -0.007 0.000 1.112 45 V CA 0.329 62.620 62.300 -0.016 0.000 0.917 45 V CB 1.542 33.367 31.823 0.004 0.000 1.018 45 V HN 1.809 nan 8.190 nan 0.000 0.426 46 G N 1.814 110.615 108.800 0.002 0.000 2.588 46 G HA2 0.400 4.360 3.960 -0.000 0.000 0.281 46 G HA3 0.400 4.360 3.960 -0.000 0.000 0.281 46 G C -1.739 173.199 174.900 0.064 0.000 1.223 46 G CA -0.500 44.625 45.100 0.041 0.000 0.871 46 G HN 0.684 nan 8.290 nan 0.000 0.492 47 H N 2.033 121.108 119.070 0.009 0.000 2.476 47 H HA 0.387 4.943 4.556 -0.000 0.000 0.328 47 H C -1.492 173.793 175.328 -0.071 0.000 1.073 47 H CA -1.717 54.313 56.048 -0.029 0.000 1.229 47 H CB 2.758 32.461 29.762 -0.098 0.000 1.432 47 H HN 0.157 nan 8.280 nan 0.000 0.477 48 P HA -0.153 nan 4.420 nan 0.000 0.223 48 P C 0.133 177.179 177.300 -0.424 0.000 1.144 48 P CA 1.343 64.239 63.100 -0.341 0.000 0.783 48 P CB 0.311 31.649 31.700 -0.603 0.000 0.771 49 Y N -0.629 119.715 120.300 0.074 0.000 2.678 49 Y HA 0.261 4.811 4.550 0.000 0.000 0.274 49 Y C 1.296 177.278 175.900 0.137 0.000 1.114 49 Y CA -0.148 57.989 58.100 0.061 0.000 1.274 49 Y CB 0.031 38.499 38.460 0.014 0.000 1.438 49 Y HN -0.165 nan 8.280 nan 0.000 0.493 50 F N -1.735 118.414 119.950 0.332 0.000 2.668 50 F HA 0.745 5.272 4.527 -0.000 0.000 0.309 50 F C -3.450 172.371 175.800 0.034 0.000 1.117 50 F CA -3.594 54.478 58.000 0.121 0.000 0.951 50 F CB 0.516 39.547 39.000 0.052 0.000 1.323 50 F HN -0.342 nan 8.300 nan 0.000 0.451 51 P HA 0.267 nan 4.420 nan 0.000 0.275 51 P C -0.617 176.814 177.300 0.219 0.000 1.227 51 P CA 0.105 63.335 63.100 0.216 0.000 0.781 51 P CB 1.352 33.127 31.700 0.125 0.000 0.906 52 I N 3.933 124.599 120.570 0.161 0.000 2.269 52 I HA 0.158 4.328 4.170 -0.000 0.000 0.293 52 I C 1.194 177.356 176.117 0.075 0.000 1.106 52 I CA 0.146 61.526 61.300 0.132 0.000 1.248 52 I CB -0.317 37.770 38.000 0.145 0.000 1.444 52 I HN 0.306 nan 8.210 nan 0.000 0.497 53 K N 3.962 124.390 120.400 0.047 0.000 2.280 53 K HA 0.655 4.975 4.320 -0.000 0.000 0.234 53 K C -0.265 176.344 176.600 0.016 0.000 1.028 53 K CA -1.339 54.963 56.287 0.024 0.000 0.882 53 K CB 1.158 33.665 32.500 0.011 0.000 1.194 53 K HN -0.002 nan 8.250 nan 0.000 0.458 54 K N 1.650 122.055 120.400 0.009 0.000 2.485 54 K HA 0.012 4.332 4.320 -0.000 0.000 0.277 54 K C -1.585 175.012 176.600 -0.004 0.000 0.990 54 K CA -1.172 55.118 56.287 0.004 0.000 0.994 54 K CB 0.504 33.005 32.500 0.002 0.000 0.906 54 K HN 0.393 nan 8.250 nan 0.000 0.488 55 P HA -0.199 nan 4.420 nan 0.000 0.215 55 P C -0.270 177.019 177.300 -0.018 0.000 1.153 55 P CA 1.843 64.934 63.100 -0.015 0.000 0.853 55 P CB 0.094 31.788 31.700 -0.010 0.000 0.788 56 N N -0.424 118.268 118.700 -0.013 0.000 2.511 56 N HA -0.056 4.684 4.740 -0.000 0.000 0.190 56 N C 0.927 176.430 175.510 -0.012 0.000 1.037 56 N CA -0.088 52.955 53.050 -0.013 0.000 0.895 56 N CB -1.352 37.130 38.487 -0.010 0.000 1.149 56 N HN 0.119 nan 8.380 nan 0.000 0.437 57 N N 0.482 119.176 118.700 -0.009 0.000 2.399 57 N HA 0.048 4.788 4.740 -0.000 0.000 0.250 57 N C -0.102 175.402 175.510 -0.010 0.000 1.272 57 N CA -0.328 52.716 53.050 -0.009 0.000 0.928 57 N CB 0.394 38.877 38.487 -0.006 0.000 1.158 57 N HN 0.336 nan 8.380 nan 0.000 0.463 58 N N 0.519 119.213 118.700 -0.011 0.000 2.275 58 N HA 0.031 4.771 4.740 -0.000 0.000 0.236 58 N C -0.761 174.744 175.510 -0.009 0.000 1.154 58 N CA -0.224 52.820 53.050 -0.011 0.000 0.866 58 N CB 0.357 38.835 38.487 -0.014 0.000 1.093 58 N HN 0.450 nan 8.380 nan 0.000 0.515 59 K N 2.442 122.838 120.400 -0.007 0.000 2.276 59 K HA 0.198 4.518 4.320 -0.000 0.000 0.285 59 K C 0.429 177.030 176.600 0.001 0.000 1.062 59 K CA -0.539 55.745 56.287 -0.006 0.000 0.918 59 K CB 0.902 33.399 32.500 -0.006 0.000 1.055 59 K HN 0.263 nan 8.250 nan 0.000 0.477 60 I N 4.343 124.913 120.570 0.001 0.000 2.460 60 I HA -0.013 4.157 4.170 -0.000 0.000 0.297 60 I C 0.948 177.073 176.117 0.013 0.000 1.139 60 I CA -0.451 60.857 61.300 0.013 0.000 1.340 60 I CB 0.350 38.357 38.000 0.013 0.000 1.444 60 I HN 0.604 nan 8.210 nan 0.000 0.557 61 L N 7.808 129.044 121.223 0.022 0.000 2.265 61 L HA 0.150 4.490 4.340 -0.000 0.000 0.215 61 L C 0.335 177.220 176.870 0.025 0.000 1.117 61 L CA 1.453 56.305 54.840 0.020 0.000 0.782 61 L CB -0.062 42.013 42.059 0.026 0.000 0.914 61 L HN 0.554 nan 8.230 nan 0.000 0.441 62 V N 0.690 120.629 119.914 0.041 0.000 2.851 62 V HA 0.562 4.682 4.120 -0.000 0.000 0.307 62 V C -2.606 173.524 176.094 0.059 0.000 1.129 62 V CA -0.934 61.398 62.300 0.053 0.000 0.932 62 V CB 2.171 34.045 31.823 0.085 0.000 1.024 62 V HN 0.070 nan 8.190 nan 0.000 0.426 63 P HA 0.400 nan 4.420 nan 0.000 0.294 63 P C -1.497 175.838 177.300 0.059 0.000 1.323 63 P CA -1.138 61.985 63.100 0.038 0.000 1.015 63 P CB 1.852 33.545 31.700 -0.012 0.000 1.392 64 K N 1.138 121.576 120.400 0.064 0.000 2.307 64 K HA 0.214 4.534 4.320 -0.000 0.000 0.285 64 K C -0.900 175.722 176.600 0.036 0.000 1.073 64 K CA 0.053 56.386 56.287 0.077 0.000 0.996 64 K CB -0.528 32.023 32.500 0.086 0.000 0.994 64 K HN 0.186 nan 8.250 nan 0.000 0.452 65 V N 4.488 124.419 119.914 0.028 0.000 2.266 65 V HA 0.063 4.183 4.120 -0.000 0.000 0.266 65 V C -0.004 176.103 176.094 0.022 0.000 1.036 65 V CA -0.578 61.717 62.300 -0.009 0.000 0.828 65 V CB 0.703 32.499 31.823 -0.045 0.000 1.081 65 V HN 0.757 nan 8.190 nan 0.000 0.449 66 S N 2.878 118.633 115.700 0.093 0.000 2.651 66 S HA 0.580 5.050 4.470 -0.000 0.000 0.291 66 S C 1.136 175.875 174.600 0.231 0.000 1.141 66 S CA 0.106 58.452 58.200 0.245 0.000 1.027 66 S CB 1.839 65.074 63.200 0.059 0.000 1.043 66 S HN 0.771 nan 8.310 nan 0.000 0.530 67 G N 1.361 110.397 108.800 0.393 0.000 3.337 67 G HA2 0.319 4.279 3.960 -0.000 0.000 0.226 67 G HA3 0.319 4.279 3.960 -0.000 0.000 0.226 67 G C 0.122 175.084 174.900 0.103 0.000 1.295 67 G CA 0.013 45.256 45.100 0.237 0.000 1.427 67 G HN 0.705 nan 8.290 nan 0.000 0.535 68 L N -0.956 120.312 121.223 0.075 0.000 3.519 68 L HA 0.246 4.586 4.340 -0.000 0.000 0.323 68 L C 0.243 177.131 176.870 0.031 0.000 1.289 68 L CA -0.189 54.663 54.840 0.021 0.000 1.039 68 L CB 0.444 42.495 42.059 -0.014 0.000 1.438 68 L HN 0.152 nan 8.230 nan 0.000 0.619 69 Q N -0.287 119.555 119.800 0.070 0.000 2.293 69 Q HA 0.433 4.773 4.340 -0.000 0.000 0.261 69 Q C -1.227 174.868 176.000 0.158 0.000 0.960 69 Q CA -0.952 54.926 55.803 0.124 0.000 0.882 69 Q CB 1.441 30.242 28.738 0.105 0.000 1.275 69 Q HN 0.014 nan 8.270 nan 0.000 0.445 70 Y N 1.555 121.889 120.300 0.055 0.000 2.632 70 Y HA -0.024 4.525 4.550 -0.000 0.000 0.329 70 Y C 0.689 176.630 175.900 0.069 0.000 1.174 70 Y CA 0.228 58.370 58.100 0.070 0.000 1.469 70 Y CB 0.458 38.940 38.460 0.036 0.000 1.242 70 Y HN 0.295 nan 8.280 nan 0.000 0.540 71 R N 3.726 124.374 120.500 0.247 0.000 2.565 71 R HA 0.198 4.538 4.340 -0.000 0.000 0.286 71 R C -1.200 175.135 176.300 0.057 0.000 1.256 71 R CA -0.483 55.680 56.100 0.104 0.000 1.238 71 R CB -0.033 30.381 30.300 0.189 0.000 1.153 71 R HN 0.424 nan 8.270 nan 0.000 0.553 72 V N 5.205 125.137 119.914 0.030 0.000 2.390 72 V HA 0.069 4.189 4.120 -0.000 0.000 0.260 72 V C 0.508 176.553 176.094 -0.083 0.000 1.043 72 V CA 0.106 62.418 62.300 0.021 0.000 1.047 72 V CB -0.951 30.905 31.823 0.055 0.000 1.066 72 V HN 0.248 nan 8.190 nan 0.000 0.481 73 F N 3.775 123.770 119.950 0.075 0.000 2.371 73 F HA 0.637 5.164 4.527 -0.000 0.000 0.329 73 F C 0.673 176.577 175.800 0.175 0.000 1.107 73 F CA -0.729 57.327 58.000 0.094 0.000 1.137 73 F CB 1.006 39.967 39.000 -0.065 0.000 1.214 73 F HN 0.349 nan 8.300 nan 0.000 0.536 74 R N 2.453 123.130 120.500 0.295 0.000 2.451 74 R HA 0.603 4.943 4.340 -0.000 0.000 0.307 74 R C -1.817 174.393 176.300 -0.151 0.000 0.965 74 R CA -0.669 55.521 56.100 0.151 0.000 0.865 74 R CB 0.668 31.065 30.300 0.162 0.000 1.174 74 R HN 0.560 nan 8.270 nan 0.000 0.455 75 I N 4.517 124.938 120.570 -0.248 0.000 2.315 75 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 75 I C -0.064 175.803 176.117 -0.418 0.000 1.006 75 I CA -0.340 60.769 61.300 -0.319 0.000 1.265 75 I CB 1.057 38.845 38.000 -0.353 0.000 1.387 75 I HN 0.439 nan 8.210 nan 0.000 0.475 76 H N 7.328 126.318 119.070 -0.134 0.000 2.519 76 H HA 0.553 5.109 4.556 -0.000 0.000 0.316 76 H C -0.618 174.584 175.328 -0.211 0.000 1.065 76 H CA -0.428 55.539 56.048 -0.136 0.000 1.264 76 H CB 1.300 31.018 29.762 -0.073 0.000 1.413 76 H HN 0.388 nan 8.280 nan 0.000 0.465 77 L N 5.623 126.764 121.223 -0.136 0.000 2.365 77 L HA 0.344 4.684 4.340 -0.000 0.000 0.273 77 L C -2.170 174.477 176.870 -0.372 0.000 1.000 77 L CA -2.207 52.400 54.840 -0.389 0.000 0.819 77 L CB 2.494 44.261 42.059 -0.487 0.000 1.284 77 L HN 0.369 nan 8.230 nan 0.000 0.418 78 P HA -0.052 nan 4.420 nan 0.000 0.264 78 P C -0.881 176.356 177.300 -0.104 0.000 1.193 78 P CA -0.063 62.791 63.100 -0.410 0.000 0.763 78 P CB 0.547 31.821 31.700 -0.710 0.000 0.810 79 D N 5.099 125.509 120.400 0.017 0.000 2.450 79 D HA 0.000 4.640 4.640 -0.000 0.000 0.247 79 D C -1.034 175.380 176.300 0.189 0.000 1.162 79 D CA -1.486 52.595 54.000 0.135 0.000 0.879 79 D CB 0.555 41.430 40.800 0.126 0.000 1.163 79 D HN 0.224 nan 8.370 nan 0.000 0.472 80 P HA -0.090 nan 4.420 nan 0.000 0.222 80 P C 0.310 177.755 177.300 0.242 0.000 1.153 80 P CA 0.604 63.787 63.100 0.138 0.000 0.798 80 P CB 0.244 31.724 31.700 -0.367 0.000 0.796 81 N N 0.241 119.047 118.700 0.177 0.000 2.626 81 N HA -0.047 4.693 4.740 -0.000 0.000 0.193 81 N C 1.167 176.798 175.510 0.201 0.000 1.213 81 N CA 0.766 53.924 53.050 0.179 0.000 0.914 81 N CB 0.101 38.719 38.487 0.218 0.000 0.994 81 N HN 0.389 nan 8.380 nan 0.000 0.447 82 K N -1.039 119.481 120.400 0.200 0.000 2.611 82 K HA 0.081 4.401 4.320 -0.000 0.000 0.209 82 K C -0.082 176.564 176.600 0.076 0.000 1.658 82 K CA -0.403 55.965 56.287 0.134 0.000 1.080 82 K CB 0.638 33.200 32.500 0.104 0.000 1.430 82 K HN -0.070 nan 8.250 nan 0.000 0.596 83 F N 2.169 122.045 119.950 -0.123 0.000 2.553 83 F HA 0.210 4.737 4.527 -0.000 0.000 0.356 83 F C 0.944 176.503 175.800 -0.402 0.000 1.142 83 F CA -0.102 57.666 58.000 -0.386 0.000 1.322 83 F CB 0.671 39.236 39.000 -0.725 0.000 1.126 83 F HN 0.022 nan 8.300 nan 0.000 0.599 84 G N 6.357 114.419 108.800 -1.230 0.000 2.821 84 G HA2 0.235 4.195 3.960 -0.000 0.000 0.289 84 G HA3 0.235 4.195 3.960 -0.000 0.000 0.289 84 G C -0.825 173.431 174.900 -1.074 0.000 0.771 84 G CA -0.450 44.079 45.100 -0.951 0.000 1.908 84 G HN 0.448 nan 8.290 nan 0.000 0.539 85 F N 1.954 121.709 119.950 -0.325 0.000 2.399 85 F HA 0.278 4.805 4.527 -0.000 0.000 0.342 85 F C -0.573 175.252 175.800 0.041 0.000 1.106 85 F CA -2.156 55.850 58.000 0.009 0.000 1.196 85 F CB 1.481 40.681 39.000 0.334 0.000 1.163 85 F HN 0.252 nan 8.300 nan 0.000 0.547 86 P HA 0.038 nan 4.420 nan 0.000 0.256 86 P C -0.963 176.468 177.300 0.219 0.000 1.335 86 P CA 0.672 63.895 63.100 0.205 0.000 0.808 86 P CB -0.007 31.812 31.700 0.199 0.000 1.305 87 D N -1.446 119.131 120.400 0.295 0.000 2.685 87 D HA 0.234 4.874 4.640 -0.000 0.000 0.236 87 D C -0.315 176.033 176.300 0.080 0.000 1.233 87 D CA -0.402 53.713 54.000 0.192 0.000 0.760 87 D CB 0.589 41.523 40.800 0.224 0.000 1.410 87 D HN -0.168 nan 8.370 nan 0.000 0.439 88 T N -1.222 113.216 114.554 -0.193 0.000 3.475 88 T HA 0.196 4.546 4.350 -0.000 0.000 0.310 88 T C 1.113 175.454 174.700 -0.597 0.000 0.963 88 T CA 0.423 62.235 62.100 -0.481 0.000 0.985 88 T CB -0.366 68.422 68.868 -0.134 0.000 1.198 88 T HN 0.306 nan 8.240 nan 0.000 0.508 89 S N 1.567 116.978 115.700 -0.481 0.000 2.425 89 S HA 0.019 4.489 4.470 -0.000 0.000 0.225 89 S C 1.786 176.251 174.600 -0.225 0.000 1.024 89 S CA 0.313 58.349 58.200 -0.273 0.000 0.951 89 S CB -1.047 62.093 63.200 -0.100 0.000 0.796 89 S HN 0.562 nan 8.310 nan 0.000 0.498 90 F N 1.974 121.935 119.950 0.018 0.000 2.408 90 F HA 0.217 4.744 4.527 -0.000 0.000 0.300 90 F C 0.777 176.617 175.800 0.068 0.000 1.090 90 F CA -0.777 57.226 58.000 0.006 0.000 1.427 90 F CB -1.379 37.593 39.000 -0.047 0.000 1.070 90 F HN 0.479 nan 8.300 nan 0.000 0.549 91 Y N -0.055 120.086 120.300 -0.266 0.000 2.638 91 Y HA 0.576 5.126 4.550 -0.000 0.000 0.339 91 Y C -1.151 174.647 175.900 -0.170 0.000 1.084 91 Y CA -2.124 55.926 58.100 -0.083 0.000 1.068 91 Y CB 1.042 39.550 38.460 0.080 0.000 1.294 91 Y HN -0.131 nan 8.280 nan 0.000 0.480 92 N N 3.892 122.289 118.700 -0.505 0.000 2.609 92 N HA 0.386 5.126 4.740 -0.000 0.000 0.234 92 N C -2.178 172.944 175.510 -0.646 0.000 1.001 92 N CA -2.748 49.958 53.050 -0.574 0.000 0.926 92 N CB 1.137 39.473 38.487 -0.252 0.000 1.130 92 N HN 0.427 nan 8.380 nan 0.000 0.510 93 P HA -0.167 nan 4.420 nan 0.000 0.226 93 P C -0.441 176.750 177.300 -0.182 0.000 1.139 93 P CA 1.230 64.061 63.100 -0.449 0.000 0.777 93 P CB 0.359 31.869 31.700 -0.317 0.000 0.757 94 D N -1.927 118.362 120.400 -0.184 0.000 2.455 94 D HA 0.011 4.650 4.640 -0.000 0.000 0.228 94 D C 1.599 177.851 176.300 -0.080 0.000 1.070 94 D CA 1.246 55.182 54.000 -0.106 0.000 0.881 94 D CB 0.291 41.033 40.800 -0.097 0.000 1.087 94 D HN 0.305 nan 8.370 nan 0.000 0.498 95 T N -1.872 112.630 114.554 -0.086 0.000 2.969 95 T HA 0.099 4.449 4.350 -0.000 0.000 0.258 95 T C 0.602 175.268 174.700 -0.056 0.000 0.962 95 T CA -0.341 61.723 62.100 -0.060 0.000 0.903 95 T CB 0.559 69.396 68.868 -0.051 0.000 1.177 95 T HN 0.095 nan 8.240 nan 0.000 0.511 96 Q N 0.924 120.700 119.800 -0.040 0.000 2.321 96 Q HA 0.655 4.995 4.340 -0.000 0.000 0.270 96 Q C -1.182 174.848 176.000 0.050 0.000 1.032 96 Q CA -1.173 54.628 55.803 -0.004 0.000 0.784 96 Q CB 2.070 30.843 28.738 0.058 0.000 1.264 96 Q HN -0.078 nan 8.270 nan 0.000 0.448 97 R N 2.514 122.912 120.500 -0.172 0.000 2.474 97 R HA 0.463 4.803 4.340 -0.000 0.000 0.295 97 R C -0.343 175.843 176.300 -0.191 0.000 0.980 97 R CA -0.778 55.142 56.100 -0.299 0.000 0.934 97 R CB 1.198 30.821 30.300 -1.127 0.000 1.101 97 R HN 0.718 nan 8.270 nan 0.000 0.469 98 L N 3.217 124.332 121.223 -0.181 0.000 2.360 98 L HA 0.233 4.573 4.340 -0.000 0.000 0.276 98 L C 0.034 176.949 176.870 0.076 0.000 1.121 98 L CA -0.284 54.449 54.840 -0.179 0.000 0.845 98 L CB 0.833 42.669 42.059 -0.372 0.000 1.143 98 L HN 0.147 nan 8.230 nan 0.000 0.452 99 V N 2.312 122.259 119.914 0.055 0.000 2.815 99 V HA 0.404 4.524 4.120 -0.000 0.000 0.314 99 V C -0.438 175.625 176.094 -0.053 0.000 1.064 99 V CA -0.752 61.626 62.300 0.130 0.000 0.952 99 V CB 2.074 33.976 31.823 0.132 0.000 1.020 99 V HN 0.625 nan 8.190 nan 0.000 0.439 100 W N 0.990 122.312 121.300 0.035 0.000 2.415 100 W HA 0.733 5.393 4.660 -0.000 0.000 0.355 100 W C 0.068 176.626 176.519 0.065 0.000 1.161 100 W CA -0.301 57.079 57.345 0.058 0.000 1.315 100 W CB 1.423 30.900 29.460 0.030 0.000 1.261 100 W HN 0.674 nan 8.180 nan 0.000 0.636 101 A N 1.352 124.496 122.820 0.541 0.000 2.393 101 A HA 0.605 4.925 4.320 -0.000 0.000 0.306 101 A C -1.596 176.178 177.584 0.316 0.000 1.050 101 A CA -0.612 51.593 52.037 0.280 0.000 0.724 101 A CB 1.023 20.119 19.000 0.160 0.000 1.248 101 A HN 0.696 nan 8.150 nan 0.000 0.424 102 C N 2.737 122.087 119.300 0.083 0.000 2.355 102 C HA 0.699 5.159 4.460 -0.000 0.000 0.332 102 C C 1.289 176.143 174.990 -0.227 0.000 1.255 102 C CA 0.372 59.292 59.018 -0.164 0.000 1.792 102 C CB 0.419 28.052 27.740 -0.178 0.000 2.300 102 C HN 1.365 nan 8.230 nan 0.000 0.515 103 V N 3.181 122.916 119.914 -0.299 0.000 3.368 103 V HA 0.523 4.643 4.120 -0.000 0.000 0.255 103 V C 0.648 176.564 176.094 -0.297 0.000 1.466 103 V CA 0.785 62.904 62.300 -0.302 0.000 1.095 103 V CB -0.386 31.213 31.823 -0.374 0.000 0.899 103 V HN 0.976 nan 8.190 nan 0.000 0.440 104 G N 0.200 108.759 108.800 -0.403 0.000 2.530 104 G HA2 0.647 4.607 3.960 -0.000 0.000 0.316 104 G HA3 0.647 4.607 3.960 -0.000 0.000 0.316 104 G C -1.658 172.940 174.900 -0.502 0.000 1.298 104 G CA -0.543 44.360 45.100 -0.328 0.000 0.948 104 G HN 0.314 nan 8.290 nan 0.000 0.486 105 V N 1.594 121.160 119.914 -0.580 0.000 2.686 105 V HA 0.526 4.645 4.120 -0.000 0.000 0.306 105 V C -0.722 174.869 176.094 -0.839 0.000 1.065 105 V CA -0.749 61.134 62.300 -0.695 0.000 0.894 105 V CB 2.069 33.644 31.823 -0.414 0.000 1.004 105 V HN 0.856 nan 8.190 nan 0.000 0.424 106 E N 3.653 123.329 120.200 -0.873 0.000 2.216 106 E HA 0.511 4.861 4.350 -0.000 0.000 0.260 106 E C -1.523 174.728 176.600 -0.582 0.000 0.880 106 E CA -0.539 55.340 56.400 -0.868 0.000 0.765 106 E CB 2.092 31.391 29.700 -0.667 0.000 1.174 106 E HN 0.462 nan 8.360 nan 0.000 0.417 107 V N 4.309 124.007 119.914 -0.361 0.000 2.356 107 V HA 0.289 4.409 4.120 -0.000 0.000 0.258 107 V C 0.774 176.878 176.094 0.017 0.000 1.065 107 V CA -0.215 62.076 62.300 -0.016 0.000 0.935 107 V CB 0.720 32.815 31.823 0.453 0.000 1.061 107 V HN 0.719 nan 8.190 nan 0.000 0.484 108 G N 5.751 114.497 108.800 -0.090 0.000 2.358 108 G HA2 0.393 4.353 3.960 -0.000 0.000 0.273 108 G HA3 0.393 4.353 3.960 -0.000 0.000 0.273 108 G C -0.016 174.829 174.900 -0.091 0.000 1.215 108 G CA -0.556 44.495 45.100 -0.081 0.000 0.910 108 G HN 0.471 nan 8.290 nan 0.000 0.467 109 R N 2.017 122.447 120.500 -0.116 0.000 2.295 109 R HA 0.406 4.746 4.340 -0.000 0.000 0.324 109 R C 0.604 176.804 176.300 -0.166 0.000 0.968 109 R CA -0.686 55.264 56.100 -0.250 0.000 0.837 109 R CB 1.882 32.038 30.300 -0.239 0.000 1.133 109 R HN 0.562 nan 8.270 nan 0.000 0.450 110 G N 2.109 110.793 108.800 -0.193 0.000 4.044 110 G HA2 0.102 4.062 3.960 -0.000 0.000 0.297 110 G HA3 0.102 4.062 3.960 -0.000 0.000 0.297 110 G C -0.149 174.702 174.900 -0.082 0.000 1.101 110 G CA -0.082 44.954 45.100 -0.107 0.000 0.884 110 G HN 0.232 nan 8.290 nan 0.000 0.538 111 Q N 0.949 120.694 119.800 -0.091 0.000 2.359 111 Q HA 0.359 4.699 4.340 -0.000 0.000 0.274 111 Q C -2.693 173.288 176.000 -0.031 0.000 1.074 111 Q CA -1.935 53.838 55.803 -0.051 0.000 0.810 111 Q CB 3.095 31.799 28.738 -0.057 0.000 1.342 111 Q HN 0.101 nan 8.270 nan 0.000 0.427 112 P HA -0.030 nan 4.420 nan 0.000 0.265 112 P C -0.288 177.013 177.300 0.000 0.000 1.187 112 P CA -0.263 62.834 63.100 -0.004 0.000 0.766 112 P CB 0.635 32.335 31.700 0.001 0.000 0.820 113 L N 2.078 123.303 121.223 0.004 0.000 2.464 113 L HA 0.579 4.919 4.340 -0.000 0.000 0.264 113 L C 1.368 178.242 176.870 0.007 0.000 1.199 113 L CA 1.277 56.123 54.840 0.010 0.000 0.818 113 L CB -0.110 41.959 42.059 0.016 0.000 1.102 113 L HN 0.792 nan 8.230 nan 0.000 0.473 114 G N 0.048 108.852 108.800 0.006 0.000 2.451 114 G HA2 0.562 4.522 3.960 -0.000 0.000 0.292 114 G HA3 0.562 4.522 3.960 -0.000 0.000 0.292 114 G C -1.760 173.135 174.900 -0.009 0.000 1.427 114 G CA -0.048 45.051 45.100 -0.003 0.000 0.792 114 G HN 0.703 nan 8.290 nan 0.000 0.498 115 V N -1.747 118.156 119.914 -0.019 0.000 2.769 115 V HA 0.997 5.117 4.120 -0.000 0.000 0.312 115 V C 0.485 176.545 176.094 -0.057 0.000 1.061 115 V CA -0.162 62.121 62.300 -0.028 0.000 0.931 115 V CB 1.519 33.334 31.823 -0.014 0.000 1.010 115 V HN 1.635 nan 8.190 nan 0.000 0.433 116 G N 2.363 111.120 108.800 -0.072 0.000 2.389 116 G HA2 0.709 4.669 3.960 -0.000 0.000 0.328 116 G HA3 0.709 4.669 3.960 -0.000 0.000 0.328 116 G C -1.080 173.767 174.900 -0.088 0.000 1.133 116 G CA -0.740 44.293 45.100 -0.110 0.000 0.891 116 G HN 0.967 nan 8.290 nan 0.000 0.485 117 I N 0.060 120.585 120.570 -0.074 0.000 2.740 117 I HA 0.694 4.864 4.170 -0.000 0.000 0.303 117 I C -0.622 175.517 176.117 0.037 0.000 1.044 117 I CA -0.698 60.569 61.300 -0.056 0.000 1.064 117 I CB 2.296 40.283 38.000 -0.021 0.000 1.249 117 I HN 0.488 nan 8.210 nan 0.000 0.433 118 S N 2.957 118.672 115.700 0.025 0.000 2.541 118 S HA 0.866 5.336 4.470 -0.000 0.000 0.271 118 S C -0.547 174.163 174.600 0.183 0.000 1.133 118 S CA -0.547 57.848 58.200 0.325 0.000 0.876 118 S CB 2.006 65.335 63.200 0.216 0.000 1.105 118 S HN 0.992 nan 8.310 nan 0.000 0.470 119 G N 0.773 109.753 108.800 0.300 0.000 2.663 119 G HA2 0.615 4.575 3.960 -0.000 0.000 0.299 119 G HA3 0.615 4.575 3.960 -0.000 0.000 0.299 119 G C -2.249 172.720 174.900 0.115 0.000 1.372 119 G CA -0.419 44.769 45.100 0.147 0.000 0.781 119 G HN 0.637 nan 8.290 nan 0.000 0.491 120 H N 0.229 119.328 119.070 0.049 0.000 3.018 120 H HA 0.425 4.981 4.556 -0.000 0.000 0.334 120 H C -2.170 173.155 175.328 -0.005 0.000 0.983 120 H CA -1.706 54.359 56.048 0.029 0.000 1.363 120 H CB 2.906 32.688 29.762 0.033 0.000 1.668 120 H HN 0.143 nan 8.280 nan 0.000 0.513 121 P HA -0.019 nan 4.420 nan 0.000 0.220 121 P C 0.101 177.549 177.300 0.247 0.000 1.148 121 P CA 0.959 64.136 63.100 0.128 0.000 0.803 121 P CB 0.351 32.064 31.700 0.022 0.000 0.782 122 L N -1.024 120.511 121.223 0.519 0.000 2.637 122 L HA 0.326 4.666 4.340 -0.000 0.000 0.241 122 L C -0.175 176.512 176.870 -0.304 0.000 1.398 122 L CA -0.967 53.902 54.840 0.049 0.000 0.895 122 L CB 0.522 42.579 42.059 -0.004 0.000 1.183 122 L HN -0.149 nan 8.230 nan 0.000 0.497 123 L N 1.232 122.358 121.223 -0.162 0.000 2.439 123 L HA 0.274 4.614 4.340 -0.000 0.000 0.269 123 L C 0.676 177.432 176.870 -0.189 0.000 1.179 123 L CA 0.423 55.126 54.840 -0.228 0.000 0.828 123 L CB 0.599 42.657 42.059 -0.001 0.000 1.106 123 L HN 0.361 nan 8.230 nan 0.000 0.467 124 N N 4.995 123.561 118.700 -0.224 0.000 2.549 124 N HA 0.065 4.804 4.740 -0.000 0.000 0.267 124 N C -1.088 174.389 175.510 -0.055 0.000 1.182 124 N CA 0.183 53.133 53.050 -0.168 0.000 1.019 124 N CB -0.278 38.077 38.487 -0.222 0.000 1.380 124 N HN 0.550 nan 8.380 nan 0.000 0.505 125 K N 4.279 124.653 120.400 -0.044 0.000 2.507 125 K HA 0.130 4.450 4.320 -0.000 0.000 0.252 125 K C 0.070 176.611 176.600 -0.097 0.000 0.943 125 K CA -0.587 55.686 56.287 -0.024 0.000 0.808 125 K CB 1.504 33.846 32.500 -0.265 0.000 1.142 125 K HN 0.200 nan 8.250 nan 0.000 0.426 126 L N 3.222 124.425 121.223 -0.032 0.000 1.995 126 L HA 0.107 4.447 4.340 -0.000 0.000 0.206 126 L C -0.188 176.642 176.870 -0.066 0.000 1.098 126 L CA 1.949 56.766 54.840 -0.038 0.000 0.762 126 L CB -0.250 41.812 42.059 0.006 0.000 0.900 126 L HN 0.867 nan 8.230 nan 0.000 0.441 127 D N -2.239 118.143 120.400 -0.030 0.000 2.596 127 D HA 0.270 4.910 4.640 -0.000 0.000 0.234 127 D C -1.296 175.038 176.300 0.056 0.000 1.181 127 D CA -0.686 53.305 54.000 -0.015 0.000 0.856 127 D CB 0.387 41.194 40.800 0.012 0.000 1.498 127 D HN 0.051 nan 8.370 nan 0.000 0.446 128 D N -1.245 119.215 120.400 0.100 0.000 2.443 128 D HA 0.248 4.888 4.640 -0.000 0.000 0.239 128 D C 0.653 177.036 176.300 0.138 0.000 1.136 128 D CA 0.185 54.310 54.000 0.209 0.000 0.879 128 D CB 0.812 41.714 40.800 0.170 0.000 1.195 128 D HN 0.400 nan 8.370 nan 0.000 0.443 129 T N 0.083 114.720 114.554 0.137 0.000 3.044 129 T HA 0.081 4.431 4.350 -0.000 0.000 0.260 129 T C 1.403 176.109 174.700 0.010 0.000 1.019 129 T CA -0.357 61.796 62.100 0.089 0.000 0.921 129 T CB 0.071 69.023 68.868 0.140 0.000 1.053 129 T HN 0.529 nan 8.240 nan 0.000 0.533 130 E N 2.246 122.454 120.200 0.014 0.000 2.051 130 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 130 E C 0.398 176.985 176.600 -0.023 0.000 0.991 130 E CA 0.958 57.347 56.400 -0.019 0.000 0.799 130 E CB 0.150 29.851 29.700 0.002 0.000 0.748 130 E HN 0.473 nan 8.360 nan 0.000 0.449 131 N N -1.045 117.653 118.700 -0.002 0.000 2.648 131 N HA 0.321 5.061 4.740 -0.000 0.000 0.272 131 N C -1.896 173.611 175.510 -0.006 0.000 1.118 131 N CA 0.026 53.069 53.050 -0.012 0.000 0.973 131 N CB 1.703 40.185 38.487 -0.008 0.000 1.565 131 N HN 0.178 nan 8.380 nan 0.000 0.542 132 A N 1.520 124.327 122.820 -0.022 0.000 2.386 132 A HA 0.720 5.040 4.320 -0.000 0.000 0.308 132 A C 0.510 178.080 177.584 -0.024 0.000 1.128 132 A CA -0.065 51.957 52.037 -0.025 0.000 0.789 132 A CB 1.144 20.110 19.000 -0.056 0.000 1.325 132 A HN 0.873 nan 8.150 nan 0.000 0.437 133 S N -0.944 114.748 115.700 -0.014 0.000 2.549 133 S HA 0.627 5.097 4.470 -0.000 0.000 0.225 133 S C 0.394 174.995 174.600 0.001 0.000 1.039 133 S CA 0.623 58.821 58.200 -0.004 0.000 0.942 133 S CB 0.195 63.397 63.200 0.003 0.000 0.881 133 S HN 2.232 nan 8.310 nan 0.000 0.503 134 A N 0.350 123.169 122.820 -0.000 0.000 2.586 134 A HA 0.590 4.910 4.320 -0.000 0.000 0.291 134 A C -1.730 175.875 177.584 0.036 0.000 1.062 134 A CA -0.843 51.208 52.037 0.023 0.000 0.666 134 A CB 0.018 19.041 19.000 0.038 0.000 1.281 134 A HN 0.324 nan 8.150 nan 0.000 0.421 135 Y N 1.617 121.921 120.300 0.006 0.000 2.526 135 Y HA 0.380 4.930 4.550 -0.000 0.000 0.330 135 Y C 1.025 176.926 175.900 0.003 0.000 1.156 135 Y CA 0.728 58.831 58.100 0.005 0.000 1.419 135 Y CB 0.599 39.059 38.460 0.000 0.000 1.250 135 Y HN 1.030 nan 8.280 nan 0.000 0.540 136 A N 5.029 128.012 122.820 0.272 0.000 2.498 136 A HA 0.430 4.750 4.320 -0.000 0.000 0.239 136 A C 0.091 177.779 177.584 0.173 0.000 1.068 136 A CA -0.060 52.084 52.037 0.179 0.000 0.766 136 A CB -0.346 18.729 19.000 0.124 0.000 1.003 136 A HN 0.991 nan 8.150 nan 0.000 0.497 137 A N 3.454 126.326 122.820 0.086 0.000 2.477 137 A HA 0.382 4.702 4.320 -0.000 0.000 0.246 137 A C 0.564 178.170 177.584 0.037 0.000 1.078 137 A CA -0.426 51.640 52.037 0.048 0.000 0.770 137 A CB -0.371 18.644 19.000 0.025 0.000 1.011 137 A HN 0.923 nan 8.150 nan 0.000 0.494 138 N N 0.549 119.258 118.700 0.015 0.000 2.283 138 N HA 0.221 4.961 4.740 -0.000 0.000 0.236 138 N C 0.287 175.797 175.510 0.001 0.000 1.252 138 N CA 1.170 54.221 53.050 0.002 0.000 0.856 138 N CB 0.259 38.737 38.487 -0.016 0.000 1.099 138 N HN 0.786 nan 8.380 nan 0.000 0.444 139 A N 1.437 124.255 122.820 -0.004 0.000 2.671 139 A HA 0.460 4.780 4.320 -0.000 0.000 0.306 139 A C 1.475 179.050 177.584 -0.016 0.000 1.473 139 A CA -0.064 51.966 52.037 -0.011 0.000 1.155 139 A CB -0.993 17.998 19.000 -0.015 0.000 1.123 139 A HN 0.702 nan 8.150 nan 0.000 0.545 140 G N 1.336 110.126 108.800 -0.016 0.000 3.268 140 G HA2 0.020 3.980 3.960 -0.000 0.000 0.295 140 G HA3 0.020 3.980 3.960 -0.000 0.000 0.295 140 G C 0.322 175.210 174.900 -0.020 0.000 0.916 140 G CA 1.280 46.370 45.100 -0.017 0.000 0.901 140 G HN 1.208 nan 8.290 nan 0.000 1.124 141 V N 0.186 120.087 119.914 -0.023 0.000 2.777 141 V HA 0.482 4.602 4.120 -0.000 0.000 0.306 141 V C -0.672 175.404 176.094 -0.029 0.000 1.112 141 V CA 0.463 62.747 62.300 -0.026 0.000 0.917 141 V CB 1.818 33.627 31.823 -0.023 0.000 1.018 141 V HN 1.009 nan 8.190 nan 0.000 0.426 142 D N 3.433 123.811 120.400 -0.036 0.000 3.061 142 D HA -0.157 4.483 4.640 -0.000 0.000 0.252 142 D C 0.467 176.741 176.300 -0.043 0.000 1.080 142 D CA 0.885 54.861 54.000 -0.042 0.000 0.871 142 D CB -0.837 39.941 40.800 -0.037 0.000 1.018 142 D HN 0.758 nan 8.370 nan 0.000 0.425 143 N N 0.574 119.246 118.700 -0.047 0.000 2.412 143 N HA 0.068 4.808 4.740 -0.000 0.000 0.184 143 N C 0.260 175.732 175.510 -0.063 0.000 1.101 143 N CA -0.098 52.923 53.050 -0.049 0.000 0.881 143 N CB 0.225 38.684 38.487 -0.046 0.000 0.969 143 N HN 0.351 nan 8.380 nan 0.000 0.459 144 R N 1.562 122.019 120.500 -0.072 0.000 2.492 144 R HA -0.108 4.232 4.340 -0.000 0.000 0.272 144 R C -0.038 176.218 176.300 -0.074 0.000 0.965 144 R CA 0.911 56.958 56.100 -0.088 0.000 1.093 144 R CB -0.024 30.217 30.300 -0.098 0.000 0.868 144 R HN 0.376 nan 8.270 nan 0.000 0.425 145 E N 0.529 120.682 120.200 -0.079 0.000 2.454 145 E HA 0.185 4.534 4.350 -0.000 0.000 0.279 145 E C -1.308 175.270 176.600 -0.036 0.000 1.029 145 E CA -0.964 55.399 56.400 -0.061 0.000 0.831 145 E CB 1.455 31.101 29.700 -0.090 0.000 1.405 145 E HN 0.538 nan 8.360 nan 0.000 0.463 146 C N 2.164 121.453 119.300 -0.019 0.000 2.227 146 C HA 0.620 5.080 4.460 -0.000 0.000 0.333 146 C C -0.346 174.652 174.990 0.014 0.000 1.145 146 C CA -0.108 58.919 59.018 0.015 0.000 1.643 146 C CB -2.246 25.499 27.740 0.008 0.000 2.185 146 C HN 0.479 nan 8.230 nan 0.000 0.497 147 I N 4.873 125.471 120.570 0.046 0.000 2.892 147 I HA 0.630 4.800 4.170 -0.000 0.000 0.306 147 I C 0.118 176.293 176.117 0.097 0.000 1.078 147 I CA 0.026 61.364 61.300 0.062 0.000 1.032 147 I CB 2.685 40.732 38.000 0.080 0.000 1.229 147 I HN 0.673 nan 8.210 nan 0.000 0.435 148 S N 4.074 119.823 115.700 0.083 0.000 2.661 148 S HA 0.845 5.315 4.470 -0.000 0.000 0.285 148 S C -0.579 174.039 174.600 0.031 0.000 1.138 148 S CA -0.879 57.359 58.200 0.063 0.000 0.855 148 S CB 2.247 65.468 63.200 0.036 0.000 1.136 148 S HN 0.618 nan 8.310 nan 0.000 0.484 149 M N -0.362 119.200 119.600 -0.062 0.000 3.321 149 M HA 0.637 5.117 4.480 -0.000 0.000 0.314 149 M C -2.101 174.063 176.300 -0.226 0.000 1.413 149 M CA -0.678 54.540 55.300 -0.137 0.000 0.768 149 M CB 0.252 32.753 32.600 -0.166 0.000 1.997 149 M HN 0.661 nan 8.290 nan 0.000 0.433 150 D N 0.819 121.069 120.400 -0.250 0.000 2.375 150 D HA 0.397 5.037 4.640 -0.000 0.000 0.259 150 D C -1.153 175.039 176.300 -0.181 0.000 1.235 150 D CA -0.215 53.661 54.000 -0.206 0.000 0.924 150 D CB -0.054 40.682 40.800 -0.107 0.000 1.143 150 D HN 0.526 nan 8.370 nan 0.000 0.529 151 Y N 1.340 121.611 120.300 -0.048 0.000 2.469 151 Y HA -0.077 4.473 4.550 -0.000 0.000 0.353 151 Y C 1.714 177.581 175.900 -0.055 0.000 1.269 151 Y CA -0.407 57.655 58.100 -0.063 0.000 1.504 151 Y CB 0.669 39.124 38.460 -0.009 0.000 1.369 151 Y HN 0.267 nan 8.280 nan 0.000 0.654 152 K N 1.956 122.439 120.400 0.137 0.000 2.491 152 K HA -0.092 4.228 4.320 -0.000 0.000 0.279 152 K C -0.497 176.156 176.600 0.089 0.000 1.026 152 K CA -0.124 56.207 56.287 0.074 0.000 1.070 152 K CB 0.275 32.806 32.500 0.051 0.000 0.887 152 K HN 0.590 nan 8.250 nan 0.000 0.481 153 Q N 2.785 122.634 119.800 0.080 0.000 2.244 153 Q HA 0.014 4.354 4.340 -0.000 0.000 0.276 153 Q C -0.825 175.229 176.000 0.089 0.000 1.122 153 Q CA 0.547 56.400 55.803 0.083 0.000 0.920 153 Q CB 0.551 29.337 28.738 0.080 0.000 1.186 153 Q HN 0.690 nan 8.270 nan 0.000 0.393 154 T N 3.712 118.321 114.554 0.092 0.000 2.841 154 T HA 0.378 4.728 4.350 -0.000 0.000 0.285 154 T C -0.811 173.964 174.700 0.125 0.000 0.991 154 T CA -0.710 61.452 62.100 0.104 0.000 0.966 154 T CB 1.622 70.543 68.868 0.089 0.000 0.962 154 T HN 0.517 nan 8.240 nan 0.000 0.438 155 Q N 3.076 122.968 119.800 0.154 0.000 2.337 155 Q HA 0.617 4.956 4.340 -0.000 0.000 0.260 155 Q C -1.654 174.473 176.000 0.212 0.000 0.982 155 Q CA -0.836 55.111 55.803 0.240 0.000 0.734 155 Q CB 0.605 29.463 28.738 0.200 0.000 1.272 155 Q HN 0.694 nan 8.270 nan 0.000 0.461 156 L N 0.589 122.017 121.223 0.342 0.000 2.671 156 L HA 0.915 5.255 4.340 -0.000 0.000 0.259 156 L C -1.828 175.273 176.870 0.384 0.000 1.021 156 L CA -0.887 54.081 54.840 0.212 0.000 0.871 156 L CB 2.042 44.213 42.059 0.186 0.000 1.472 156 L HN 0.556 nan 8.230 nan 0.000 0.410 157 C N 2.258 121.640 119.300 0.137 0.000 2.705 157 C HA 0.780 5.240 4.460 -0.000 0.000 0.369 157 C C -1.122 173.883 174.990 0.025 0.000 1.069 157 C CA -0.445 58.671 59.018 0.163 0.000 1.260 157 C CB 0.059 27.883 27.740 0.140 0.000 1.764 157 C HN 0.871 nan 8.230 nan 0.000 0.469 158 L N 6.335 127.628 121.223 0.117 0.000 2.317 158 L HA 0.703 5.043 4.340 -0.000 0.000 0.281 158 L C -0.287 176.658 176.870 0.125 0.000 1.024 158 L CA -0.617 54.275 54.840 0.087 0.000 0.810 158 L CB 1.603 43.705 42.059 0.071 0.000 1.240 158 L HN 0.532 nan 8.230 nan 0.000 0.427 159 I N 1.975 122.631 120.570 0.144 0.000 2.468 159 I HA 0.632 4.802 4.170 -0.000 0.000 0.285 159 I C 0.046 176.008 176.117 -0.259 0.000 1.039 159 I CA -0.191 61.226 61.300 0.195 0.000 1.074 159 I CB 1.941 40.273 38.000 0.552 0.000 1.228 159 I HN 0.739 nan 8.210 nan 0.000 0.436 160 G N 2.991 111.549 108.800 -0.403 0.000 2.708 160 G HA2 0.426 4.386 3.960 -0.000 0.000 0.289 160 G HA3 0.426 4.386 3.960 -0.000 0.000 0.289 160 G C 0.245 174.911 174.900 -0.390 0.000 1.416 160 G CA -0.442 44.207 45.100 -0.753 0.000 0.829 160 G HN 0.708 nan 8.290 nan 0.000 0.480 161 C N -1.535 117.592 119.300 -0.288 0.000 2.674 161 C HA 0.483 4.943 4.460 -0.000 0.000 0.276 161 C C 0.578 175.505 174.990 -0.104 0.000 1.300 161 C CA -0.482 58.476 59.018 -0.100 0.000 1.732 161 C CB -0.650 27.137 27.740 0.077 0.000 2.076 161 C HN 0.317 nan 8.230 nan 0.000 0.548 162 K N 2.304 122.700 120.400 -0.008 0.000 2.123 162 K HA 0.529 4.849 4.320 -0.000 0.000 0.248 162 K C -2.652 174.110 176.600 0.271 0.000 0.969 162 K CA -2.070 54.283 56.287 0.109 0.000 0.882 162 K CB 0.744 33.256 32.500 0.021 0.000 1.080 162 K HN 0.135 nan 8.250 nan 0.000 0.441 163 P HA 0.142 nan 4.420 nan 0.000 0.272 163 P C -2.512 174.605 177.300 -0.304 0.000 1.230 163 P CA -1.125 61.688 63.100 -0.479 0.000 0.788 163 P CB -0.167 31.071 31.700 -0.771 0.000 0.949 164 P HA 0.332 nan 4.420 nan 0.000 0.279 164 P C -0.351 176.795 177.300 -0.257 0.000 1.239 164 P CA -0.001 62.946 63.100 -0.255 0.000 0.789 164 P CB 0.842 32.400 31.700 -0.236 0.000 0.933 165 I N 2.004 122.438 120.570 -0.227 0.000 2.330 165 I HA 0.376 4.546 4.170 -0.000 0.000 0.289 165 I C 1.102 177.066 176.117 -0.255 0.000 1.001 165 I CA -0.344 60.826 61.300 -0.216 0.000 1.193 165 I CB 1.675 39.574 38.000 -0.168 0.000 1.345 165 I HN 0.378 nan 8.210 nan 0.000 0.461 166 G N 5.035 113.685 108.800 -0.251 0.000 2.557 166 G HA2 0.723 4.683 3.960 -0.000 0.000 0.302 166 G HA3 0.723 4.683 3.960 -0.000 0.000 0.302 166 G C -0.919 173.896 174.900 -0.142 0.000 1.311 166 G CA -0.349 44.602 45.100 -0.248 0.000 1.030 166 G HN 0.700 nan 8.290 nan 0.000 0.509 167 E N -1.307 118.840 120.200 -0.088 0.000 2.429 167 E HA 0.657 5.007 4.350 -0.000 0.000 0.276 167 E C -1.234 175.390 176.600 0.039 0.000 0.953 167 E CA -1.052 55.304 56.400 -0.075 0.000 0.787 167 E CB 2.440 32.044 29.700 -0.161 0.000 1.307 167 E HN 0.780 nan 8.360 nan 0.000 0.458 168 H N -0.965 117.943 119.070 -0.271 0.000 2.987 168 H HA 0.284 4.839 4.556 -0.000 0.000 0.316 168 H C -1.795 173.319 175.328 -0.356 0.000 1.380 168 H CA -1.221 54.677 56.048 -0.251 0.000 1.160 168 H CB -0.100 29.588 29.762 -0.125 0.000 1.865 168 H HN 0.658 nan 8.280 nan 0.000 0.521 169 W N 0.325 121.576 121.300 -0.081 0.000 2.332 169 W HA 0.634 5.294 4.660 -0.000 0.000 0.351 169 W C 0.624 177.037 176.519 -0.177 0.000 1.195 169 W CA 0.548 57.800 57.345 -0.156 0.000 1.334 169 W CB 1.723 31.156 29.460 -0.045 0.000 1.206 169 W HN 0.986 nan 8.180 nan 0.000 0.637 170 G N 0.383 109.258 108.800 0.125 0.000 2.548 170 G HA2 0.351 4.311 3.960 -0.000 0.000 0.301 170 G HA3 0.351 4.311 3.960 -0.000 0.000 0.301 170 G C -2.088 172.853 174.900 0.068 0.000 1.349 170 G CA -1.070 44.062 45.100 0.054 0.000 0.792 170 G HN 0.279 nan 8.290 nan 0.000 0.481 171 K N 0.238 120.666 120.400 0.046 0.000 2.316 171 K HA 0.562 4.882 4.320 -0.000 0.000 0.267 171 K C -0.169 176.445 176.600 0.025 0.000 1.025 171 K CA -0.496 55.814 56.287 0.040 0.000 0.896 171 K CB 1.000 33.520 32.500 0.034 0.000 1.124 171 K HN 0.709 nan 8.250 nan 0.000 0.451 172 G N 2.800 111.616 108.800 0.026 0.000 3.288 172 G HA2 0.094 4.054 3.960 -0.000 0.000 0.337 172 G HA3 0.094 4.054 3.960 -0.000 0.000 0.337 172 G C -0.390 174.518 174.900 0.014 0.000 1.142 172 G CA -0.413 44.696 45.100 0.014 0.000 1.304 172 G HN 0.668 nan 8.290 nan 0.000 0.475 173 S N 2.075 117.781 115.700 0.011 0.000 4.620 173 S HA -0.131 4.339 4.470 -0.000 0.000 0.552 173 S C -0.754 173.852 174.600 0.010 0.000 0.994 173 S CA -0.142 58.063 58.200 0.009 0.000 0.991 173 S CB 0.297 63.500 63.200 0.005 0.000 1.522 173 S HN 0.560 nan 8.310 nan 0.000 0.402 174 P HA -0.013 nan 4.420 nan 0.000 0.281 174 P C -0.231 177.075 177.300 0.010 0.000 1.461 174 P CA 0.023 63.129 63.100 0.011 0.000 0.967 174 P CB 0.400 32.104 31.700 0.008 0.000 1.357 175 C N -0.692 118.613 119.300 0.008 0.000 2.383 175 C HA 0.208 4.668 4.460 -0.000 0.000 0.330 175 C C -0.158 174.836 174.990 0.006 0.000 1.168 175 C CA -0.233 58.790 59.018 0.007 0.000 1.374 175 C CB -0.225 27.520 27.740 0.008 0.000 2.014 175 C HN 0.439 nan 8.230 nan 0.000 0.439 176 T N 4.464 119.021 114.554 0.005 0.000 3.042 176 T HA 0.084 4.434 4.350 -0.000 0.000 0.220 176 T C -0.233 174.468 174.700 0.003 0.000 1.051 176 T CA 0.821 62.923 62.100 0.004 0.000 2.347 176 T CB -0.842 68.028 68.868 0.003 0.000 1.061 176 T HN 0.839 nan 8.240 nan 0.000 0.540 177 Q N -0.490 119.311 119.800 0.003 0.000 2.736 177 Q HA 0.383 4.723 4.340 -0.000 0.000 0.273 177 Q C -0.900 175.102 176.000 0.002 0.000 0.948 177 Q CA -1.290 54.515 55.803 0.003 0.000 0.854 177 Q CB 1.581 30.321 28.738 0.003 0.000 1.569 177 Q HN 0.116 nan 8.270 nan 0.000 0.405 178 V N 0.475 120.390 119.914 0.002 0.000 5.881 178 V HA -0.266 3.854 4.120 -0.000 0.000 0.192 178 V C 0.457 176.552 176.094 0.001 0.000 0.719 178 V CA 1.332 63.633 62.300 0.001 0.000 0.660 178 V CB -1.402 30.422 31.823 0.001 0.000 0.675 178 V HN 0.883 nan 8.190 nan 0.000 0.401 179 A N 5.156 127.976 122.820 0.001 0.000 3.051 179 A HA 0.549 4.869 4.320 -0.000 0.000 0.257 179 A C 0.661 178.245 177.584 0.000 0.000 1.785 179 A CA 0.284 52.322 52.037 0.001 0.000 1.420 179 A CB -0.656 18.344 19.000 0.001 0.000 1.063 179 A HN 2.124 nan 8.150 nan 0.000 0.630 180 V N -1.809 118.106 119.914 0.000 0.000 3.754 180 V HA -0.210 3.910 4.120 -0.000 0.000 0.534 180 V C 0.250 176.343 176.094 -0.001 0.000 0.682 180 V CA 0.793 63.093 62.300 -0.000 0.000 2.094 180 V CB -0.803 31.020 31.823 -0.000 0.000 2.494 180 V HN 0.905 nan 8.190 nan 0.000 0.518 181 Q N 5.329 125.128 119.800 -0.002 0.000 2.322 181 Q HA 0.335 4.675 4.340 -0.000 0.000 0.256 181 Q C -2.376 173.622 176.000 -0.004 0.000 0.960 181 Q CA -2.060 53.741 55.803 -0.003 0.000 0.934 181 Q CB 1.232 29.968 28.738 -0.003 0.000 1.200 181 Q HN 0.713 nan 8.270 nan 0.000 0.435 182 P HA -0.196 nan 4.420 nan 0.000 0.251 182 P C 0.307 177.603 177.300 -0.006 0.000 1.105 182 P CA 2.030 65.127 63.100 -0.005 0.000 0.775 182 P CB -0.036 31.660 31.700 -0.006 0.000 0.689 183 G N 3.423 112.219 108.800 -0.007 0.000 2.981 183 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.199 183 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.199 183 G C -0.122 174.774 174.900 -0.007 0.000 1.586 183 G CA -0.151 44.944 45.100 -0.009 0.000 1.162 183 G HN 0.520 nan 8.290 nan 0.000 0.538 184 D N 1.889 122.286 120.400 -0.005 0.000 3.304 184 D HA 0.230 4.870 4.640 -0.000 0.000 0.241 184 D C 1.295 177.593 176.300 -0.004 0.000 1.310 184 D CA 0.919 54.916 54.000 -0.004 0.000 0.884 184 D CB -0.224 40.575 40.800 -0.002 0.000 1.167 184 D HN 0.750 nan 8.370 nan 0.000 0.598 185 C N 5.146 124.442 119.300 -0.007 0.000 2.401 185 C HA -0.048 4.412 4.460 -0.000 0.000 0.386 185 C C -1.542 173.446 174.990 -0.003 0.000 1.411 185 C CA -1.349 57.665 59.018 -0.007 0.000 1.575 185 C CB -0.383 27.350 27.740 -0.012 0.000 2.564 185 C HN 0.546 nan 8.230 nan 0.000 0.580 186 P HA 0.253 nan 4.420 nan 0.000 0.269 186 P C -2.602 174.703 177.300 0.008 0.000 1.217 186 P CA -0.611 62.494 63.100 0.008 0.000 0.783 186 P CB -0.297 31.412 31.700 0.016 0.000 0.898 187 P HA 0.210 nan 4.420 nan 0.000 0.293 187 P C -0.517 176.808 177.300 0.042 0.000 1.313 187 P CA -0.133 62.981 63.100 0.023 0.000 0.787 187 P CB 0.445 32.161 31.700 0.026 0.000 0.910 188 L N 3.107 124.358 121.223 0.047 0.000 2.454 188 L HA 0.517 4.857 4.340 -0.000 0.000 0.256 188 L C 0.599 177.592 176.870 0.205 0.000 1.136 188 L CA 0.144 55.053 54.840 0.115 0.000 0.804 188 L CB 0.323 42.381 42.059 -0.001 0.000 1.181 188 L HN 0.479 nan 8.230 nan 0.000 0.469 189 E N 0.734 121.127 120.200 0.321 0.000 2.381 189 E HA 0.236 4.586 4.350 -0.000 0.000 0.286 189 E C -1.829 174.765 176.600 -0.009 0.000 0.960 189 E CA -0.756 55.761 56.400 0.195 0.000 0.793 189 E CB 2.122 31.854 29.700 0.052 0.000 1.225 189 E HN 0.304 nan 8.360 nan 0.000 0.420 190 L N 5.451 126.527 121.223 -0.245 0.000 2.331 190 L HA 0.495 4.835 4.340 -0.000 0.000 0.278 190 L C -1.091 175.525 176.870 -0.424 0.000 1.106 190 L CA 0.129 54.559 54.840 -0.683 0.000 0.824 190 L CB 0.629 42.260 42.059 -0.714 0.000 1.142 190 L HN 0.490 nan 8.230 nan 0.000 0.443 191 I N 5.572 125.829 120.570 -0.522 0.000 2.410 191 I HA 0.348 4.518 4.170 -0.000 0.000 0.286 191 I C -0.239 175.736 176.117 -0.237 0.000 1.009 191 I CA -0.646 60.431 61.300 -0.372 0.000 1.111 191 I CB 1.227 38.945 38.000 -0.469 0.000 1.262 191 I HN 0.572 nan 8.210 nan 0.000 0.443 192 N N 3.858 122.477 118.700 -0.135 0.000 2.513 192 N HA 0.466 5.206 4.740 -0.000 0.000 0.274 192 N C -0.225 175.267 175.510 -0.031 0.000 1.189 192 N CA 0.107 53.106 53.050 -0.085 0.000 0.975 192 N CB 2.090 40.521 38.487 -0.093 0.000 1.157 192 N HN 0.665 nan 8.380 nan 0.000 0.465 193 T N -2.105 112.424 114.554 -0.042 0.000 2.827 193 T HA 0.206 4.556 4.350 -0.000 0.000 0.328 193 T C -1.459 173.190 174.700 -0.085 0.000 1.598 193 T CA -0.750 61.338 62.100 -0.019 0.000 1.043 193 T CB 0.361 69.249 68.868 0.032 0.000 1.447 193 T HN 0.031 nan 8.240 nan 0.000 0.491 194 V N 4.318 124.188 119.914 -0.074 0.000 2.455 194 V HA 0.363 4.483 4.120 -0.000 0.000 0.273 194 V C 0.898 176.896 176.094 -0.160 0.000 1.045 194 V CA -0.576 61.614 62.300 -0.183 0.000 0.976 194 V CB 0.600 32.205 31.823 -0.363 0.000 0.993 194 V HN 0.739 nan 8.190 nan 0.000 0.475 195 I N 5.949 126.380 120.570 -0.232 0.000 2.453 195 I HA 0.094 4.264 4.170 -0.000 0.000 0.300 195 I C 0.768 176.815 176.117 -0.116 0.000 1.159 195 I CA 0.166 61.294 61.300 -0.287 0.000 1.379 195 I CB -0.306 37.401 38.000 -0.488 0.000 1.460 195 I HN 0.726 nan 8.210 nan 0.000 0.601 196 Q N 4.172 123.951 119.800 -0.035 0.000 2.312 196 Q HA 0.138 4.478 4.340 -0.000 0.000 0.236 196 Q C 0.162 176.171 176.000 0.015 0.000 0.965 196 Q CA -0.742 55.084 55.803 0.040 0.000 0.894 196 Q CB 1.158 29.775 28.738 -0.202 0.000 1.225 196 Q HN 0.447 nan 8.270 nan 0.000 0.478 197 D N -0.129 120.316 120.400 0.075 0.000 2.531 197 D HA -0.031 4.609 4.640 -0.000 0.000 0.239 197 D C 0.631 176.918 176.300 -0.022 0.000 1.144 197 D CA 1.756 55.774 54.000 0.029 0.000 0.869 197 D CB 0.361 41.162 40.800 0.002 0.000 1.160 197 D HN 0.799 nan 8.370 nan 0.000 0.484 198 G N 4.041 112.857 108.800 0.027 0.000 2.259 198 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 198 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 198 G C 0.365 175.297 174.900 0.052 0.000 1.001 198 G CA 0.131 45.244 45.100 0.023 0.000 0.627 198 G HN 0.623 nan 8.290 nan 0.000 0.501 199 D N 1.059 121.482 120.400 0.039 0.000 2.319 199 D HA 0.276 4.916 4.640 -0.000 0.000 0.235 199 D C 1.109 177.493 176.300 0.140 0.000 1.304 199 D CA 0.488 54.502 54.000 0.025 0.000 0.894 199 D CB 0.153 40.895 40.800 -0.098 0.000 1.183 199 D HN 0.148 nan 8.370 nan 0.000 0.472 200 M N 1.200 120.863 119.600 0.105 0.000 2.180 200 M HA 0.185 4.665 4.480 -0.000 0.000 0.350 200 M C 0.237 176.691 176.300 0.257 0.000 1.125 200 M CA -0.898 54.493 55.300 0.152 0.000 1.031 200 M CB 1.032 33.682 32.600 0.084 0.000 1.623 200 M HN 0.170 nan 8.290 nan 0.000 0.451 201 V N -0.002 120.058 119.914 0.243 0.000 3.681 201 V HA 0.212 4.332 4.120 -0.000 0.000 0.298 201 V C 0.221 176.390 176.094 0.126 0.000 1.097 201 V CA -0.493 61.910 62.300 0.172 0.000 1.125 201 V CB 0.259 32.014 31.823 -0.114 0.000 1.140 201 V HN 0.834 nan 8.190 nan 0.000 0.476 202 D N 0.187 120.664 120.400 0.129 0.000 2.302 202 D HA 0.353 4.993 4.640 -0.000 0.000 0.248 202 D C 0.930 177.248 176.300 0.029 0.000 1.094 202 D CA 0.396 54.462 54.000 0.111 0.000 0.897 202 D CB 1.644 42.502 40.800 0.096 0.000 1.200 202 D HN 0.948 nan 8.370 nan 0.000 0.429 203 T N -0.136 114.424 114.554 0.010 0.000 3.010 203 T HA 0.404 4.753 4.350 -0.000 0.000 0.257 203 T C 1.211 175.963 174.700 0.086 0.000 1.020 203 T CA 0.364 62.413 62.100 -0.084 0.000 0.938 203 T CB 0.523 69.031 68.868 -0.601 0.000 1.049 203 T HN 0.590 nan 8.240 nan 0.000 0.522 204 G N 0.525 109.356 108.800 0.051 0.000 2.425 204 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.177 204 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.177 204 G C 0.223 175.106 174.900 -0.029 0.000 0.999 204 G CA -0.409 44.658 45.100 -0.055 0.000 0.723 204 G HN 0.458 nan 8.290 nan 0.000 0.491 205 F N 1.837 121.906 119.950 0.198 0.000 2.668 205 F HA 0.476 5.003 4.527 -0.000 0.000 0.301 205 F C 1.463 177.421 175.800 0.263 0.000 1.106 205 F CA 0.577 58.711 58.000 0.224 0.000 1.289 205 F CB 1.169 40.300 39.000 0.219 0.000 1.006 205 F HN 0.634 nan 8.300 nan 0.000 0.535 206 G N 1.012 110.020 108.800 0.347 0.000 2.592 206 G HA2 0.193 4.153 3.960 -0.000 0.000 0.684 206 G HA3 0.193 4.153 3.960 -0.000 0.000 0.684 206 G C -1.379 173.667 174.900 0.244 0.000 1.291 206 G CA -0.663 44.598 45.100 0.268 0.000 0.891 206 G HN 0.472 nan 8.290 nan 0.000 0.544 207 A N 0.192 123.154 122.820 0.236 0.000 2.331 207 A HA 1.081 5.401 4.320 -0.000 0.000 0.320 207 A C 0.275 177.989 177.584 0.218 0.000 1.138 207 A CA 0.736 52.885 52.037 0.187 0.000 0.790 207 A CB 0.769 19.881 19.000 0.186 0.000 1.206 207 A HN 2.408 nan 8.150 nan 0.000 0.470 208 M N 0.162 119.773 119.600 0.018 0.000 3.369 208 M HA 0.423 4.903 4.480 -0.000 0.000 0.430 208 M C -2.171 174.029 176.300 -0.167 0.000 1.693 208 M CA -0.757 54.589 55.300 0.077 0.000 0.893 208 M CB 0.959 33.621 32.600 0.103 0.000 2.867 208 M HN 0.429 nan 8.290 nan 0.000 0.523 209 D N 0.494 120.866 120.400 -0.047 0.000 2.461 209 D HA 0.518 5.158 4.640 -0.000 0.000 0.240 209 D C -0.094 176.145 176.300 -0.103 0.000 1.094 209 D CA -0.427 53.496 54.000 -0.128 0.000 0.868 209 D CB 0.478 41.324 40.800 0.075 0.000 1.062 209 D HN 0.554 nan 8.370 nan 0.000 0.530 210 F N 1.140 121.134 119.950 0.073 0.000 2.161 210 F HA -0.187 4.340 4.527 -0.000 0.000 0.300 210 F C 2.388 178.204 175.800 0.026 0.000 1.089 210 F CA 0.867 58.889 58.000 0.037 0.000 1.282 210 F CB -0.148 38.870 39.000 0.029 0.000 1.010 210 F HN 0.312 nan 8.300 nan 0.000 0.485 211 T N -1.201 113.453 114.554 0.165 0.000 2.946 211 T HA -0.163 4.187 4.350 -0.000 0.000 0.271 211 T C 1.856 176.600 174.700 0.074 0.000 1.104 211 T CA 1.823 63.985 62.100 0.103 0.000 1.114 211 T CB -0.417 68.495 68.868 0.073 0.000 0.867 211 T HN 0.515 nan 8.240 nan 0.000 0.513 212 T N -2.087 112.513 114.554 0.077 0.000 2.980 212 T HA 0.264 4.614 4.350 -0.000 0.000 0.252 212 T C 1.530 176.265 174.700 0.059 0.000 0.962 212 T CA -0.357 61.777 62.100 0.058 0.000 0.932 212 T CB -0.040 68.859 68.868 0.051 0.000 1.188 212 T HN 0.124 nan 8.240 nan 0.000 0.500 213 L N 0.797 122.069 121.223 0.081 0.000 2.509 213 L HA 0.401 4.741 4.340 -0.000 0.000 0.222 213 L C 0.511 177.419 176.870 0.062 0.000 1.123 213 L CA 0.865 55.748 54.840 0.072 0.000 0.856 213 L CB -0.676 41.440 42.059 0.095 0.000 0.985 213 L HN 0.490 nan 8.230 nan 0.000 0.456 214 Q N -0.821 119.025 119.800 0.077 0.000 2.394 214 Q HA 0.398 4.738 4.340 -0.000 0.000 0.261 214 Q C 0.523 176.534 176.000 0.017 0.000 1.023 214 Q CA -0.128 55.694 55.803 0.031 0.000 0.720 214 Q CB 2.056 30.818 28.738 0.041 0.000 1.241 214 Q HN 0.085 nan 8.270 nan 0.000 0.483 215 A N 2.646 125.464 122.820 -0.003 0.000 2.067 215 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 215 A C 1.706 179.278 177.584 -0.020 0.000 1.156 215 A CA 0.843 52.878 52.037 -0.004 0.000 0.683 215 A CB -0.189 18.808 19.000 -0.006 0.000 0.808 215 A HN 0.801 nan 8.150 nan 0.000 0.455 216 N N 0.505 119.179 118.700 -0.043 0.000 2.133 216 N HA -0.282 4.458 4.740 -0.000 0.000 0.193 216 N C 0.826 176.293 175.510 -0.072 0.000 1.012 216 N CA 1.904 54.910 53.050 -0.074 0.000 0.871 216 N CB -0.267 38.150 38.487 -0.117 0.000 1.011 216 N HN 0.526 nan 8.380 nan 0.000 0.435 217 K N -0.835 119.539 120.400 -0.044 0.000 3.130 217 K HA -0.197 4.123 4.320 -0.000 0.000 0.282 217 K C -0.832 175.747 176.600 -0.034 0.000 1.145 217 K CA 1.019 57.301 56.287 -0.007 0.000 0.831 217 K CB -1.623 30.885 32.500 0.014 0.000 1.226 217 K HN 0.462 nan 8.250 nan 0.000 0.478 218 S N -1.948 113.652 115.700 -0.167 0.000 2.703 218 S HA 0.102 4.572 4.470 -0.000 0.000 0.188 218 S C 0.037 174.384 174.600 -0.423 0.000 0.797 218 S CA -0.708 57.230 58.200 -0.437 0.000 0.888 218 S CB 0.182 62.972 63.200 -0.683 0.000 1.605 218 S HN 0.282 nan 8.310 nan 0.000 0.553 219 E N 1.272 121.262 120.200 -0.350 0.000 2.442 219 E HA 0.178 4.528 4.350 -0.000 0.000 0.195 219 E C 0.680 176.943 176.600 -0.563 0.000 1.030 219 E CA 0.730 56.838 56.400 -0.486 0.000 0.869 219 E CB 0.944 30.346 29.700 -0.498 0.000 0.857 219 E HN 0.739 nan 8.360 nan 0.000 0.505 220 V N -2.052 117.639 119.914 -0.371 0.000 3.048 220 V HA 0.389 4.509 4.120 -0.000 0.000 0.303 220 V C -2.957 173.194 176.094 0.094 0.000 1.214 220 V CA -3.042 59.102 62.300 -0.260 0.000 0.984 220 V CB 1.678 33.090 31.823 -0.684 0.000 1.054 220 V HN -0.263 nan 8.190 nan 0.000 0.430 221 P HA -0.013 nan 4.420 nan 0.000 0.271 221 P C 0.826 178.312 177.300 0.310 0.000 1.197 221 P CA 0.076 63.383 63.100 0.344 0.000 0.777 221 P CB 0.357 32.340 31.700 0.471 0.000 0.827 222 L N 1.950 123.312 121.223 0.233 0.000 2.261 222 L HA -0.188 4.152 4.340 -0.000 0.000 0.216 222 L C 1.536 178.620 176.870 0.356 0.000 1.114 222 L CA 2.023 56.970 54.840 0.178 0.000 0.777 222 L CB -1.610 40.499 42.059 0.084 0.000 0.910 222 L HN 0.466 nan 8.230 nan 0.000 0.440 223 D N -1.421 119.239 120.400 0.432 0.000 2.271 223 D HA -0.103 4.537 4.640 -0.000 0.000 0.206 223 D C 1.850 178.311 176.300 0.269 0.000 0.967 223 D CA 0.945 55.153 54.000 0.347 0.000 0.867 223 D CB -0.268 40.681 40.800 0.249 0.000 0.960 223 D HN 0.465 nan 8.370 nan 0.000 0.509 224 I N -0.781 119.957 120.570 0.279 0.000 3.708 224 I HA 0.118 4.288 4.170 -0.000 0.000 0.302 224 I C 1.443 177.775 176.117 0.359 0.000 1.255 224 I CA -0.194 61.296 61.300 0.316 0.000 1.362 224 I CB -0.551 37.682 38.000 0.389 0.000 1.100 224 I HN 0.045 nan 8.210 nan 0.000 0.434 225 C N 1.567 121.000 119.300 0.221 0.000 2.403 225 C HA -0.112 4.348 4.460 -0.000 0.000 0.279 225 C C 2.524 177.655 174.990 0.235 0.000 1.269 225 C CA 1.381 60.495 59.018 0.160 0.000 1.774 225 C CB -2.286 25.544 27.740 0.151 0.000 1.993 225 C HN 0.672 nan 8.230 nan 0.000 0.496 226 T N -1.553 113.121 114.554 0.200 0.000 3.163 226 T HA 0.298 4.648 4.350 -0.000 0.000 0.252 226 T C 0.394 175.175 174.700 0.135 0.000 1.056 226 T CA 0.093 62.280 62.100 0.145 0.000 0.947 226 T CB -0.133 68.804 68.868 0.114 0.000 1.016 226 T HN 0.557 nan 8.240 nan 0.000 0.554 227 S N 0.670 116.481 115.700 0.185 0.000 2.810 227 S HA 0.802 5.272 4.470 -0.000 0.000 0.315 227 S C -0.890 173.712 174.600 0.003 0.000 1.138 227 S CA -0.959 57.305 58.200 0.107 0.000 0.889 227 S CB 1.037 64.304 63.200 0.113 0.000 1.236 227 S HN 0.216 nan 8.310 nan 0.000 0.548 228 I N 0.580 121.099 120.570 -0.086 0.000 2.433 228 I HA 0.393 4.562 4.170 -0.000 0.000 0.292 228 I C -0.970 175.023 176.117 -0.206 0.000 1.001 228 I CA -0.193 60.966 61.300 -0.234 0.000 1.119 228 I CB 1.459 39.273 38.000 -0.310 0.000 1.289 228 I HN 0.510 nan 8.210 nan 0.000 0.438 229 C N 5.589 124.730 119.300 -0.266 0.000 2.264 229 C HA 0.427 4.887 4.460 -0.000 0.000 0.322 229 C C 0.181 175.138 174.990 -0.055 0.000 1.210 229 C CA -0.766 58.199 59.018 -0.089 0.000 1.539 229 C CB -0.395 27.309 27.740 -0.060 0.000 2.167 229 C HN 0.647 nan 8.230 nan 0.000 0.463 230 K N 2.889 123.285 120.400 -0.007 0.000 2.235 230 K HA 0.396 4.715 4.320 -0.000 0.000 0.266 230 K C -1.113 175.613 176.600 0.209 0.000 0.980 230 K CA -0.435 55.850 56.287 -0.004 0.000 0.849 230 K CB 1.477 33.847 32.500 -0.216 0.000 1.098 230 K HN 0.593 nan 8.250 nan 0.000 0.445 231 Y N 4.152 124.455 120.300 0.005 0.000 2.342 231 Y HA 0.311 4.861 4.550 -0.000 0.000 0.334 231 Y C -2.474 173.339 175.900 -0.146 0.000 1.067 231 Y CA -2.865 55.240 58.100 0.009 0.000 1.128 231 Y CB 1.312 39.763 38.460 -0.014 0.000 1.200 231 Y HN 0.451 nan 8.280 nan 0.000 0.464 232 P HA -0.034 nan 4.420 nan 0.000 0.262 232 P C -0.862 175.789 177.300 -1.082 0.000 1.199 232 P CA 0.355 62.911 63.100 -0.907 0.000 0.763 232 P CB 0.363 31.465 31.700 -0.998 0.000 0.790 233 D N 3.220 123.276 120.400 -0.574 0.000 2.551 233 D HA 0.011 4.651 4.640 -0.000 0.000 0.223 233 D C 0.761 176.880 176.300 -0.301 0.000 1.144 233 D CA 0.070 53.844 54.000 -0.377 0.000 1.025 233 D CB -0.530 40.145 40.800 -0.207 0.000 1.085 233 D HN 0.375 nan 8.370 nan 0.000 0.506 234 Y N 1.757 121.900 120.300 -0.261 0.000 2.040 234 Y HA -0.340 4.209 4.550 -0.000 0.000 0.275 234 Y C 2.257 178.052 175.900 -0.174 0.000 1.171 234 Y CA 0.266 58.193 58.100 -0.289 0.000 1.123 234 Y CB -0.119 38.178 38.460 -0.272 0.000 0.963 234 Y HN 0.337 nan 8.280 nan 0.000 0.493 235 I N 0.597 121.213 120.570 0.076 0.000 2.121 235 I HA -0.404 3.766 4.170 -0.000 0.000 0.243 235 I C 2.310 178.436 176.117 0.015 0.000 1.047 235 I CA 1.819 63.150 61.300 0.052 0.000 1.308 235 I CB -1.212 36.822 38.000 0.056 0.000 1.015 235 I HN 0.299 nan 8.210 nan 0.000 0.410 236 K N -0.031 120.357 120.400 -0.020 0.000 2.076 236 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 236 K C 2.206 178.788 176.600 -0.030 0.000 1.051 236 K CA 0.927 57.196 56.287 -0.029 0.000 0.949 236 K CB 0.034 32.501 32.500 -0.055 0.000 0.726 236 K HN 0.228 nan 8.250 nan 0.000 0.443 237 M N 0.302 119.868 119.600 -0.056 0.000 2.296 237 M HA -0.127 4.353 4.480 -0.000 0.000 0.265 237 M C 2.035 178.329 176.300 -0.009 0.000 1.064 237 M CA 0.869 56.138 55.300 -0.050 0.000 1.109 237 M CB -0.026 32.517 32.600 -0.095 0.000 1.396 237 M HN -0.040 nan 8.290 nan 0.000 0.430 238 V N -0.080 119.830 119.914 -0.006 0.000 2.244 238 V HA -0.205 3.915 4.120 -0.000 0.000 0.244 238 V C 2.223 178.354 176.094 0.061 0.000 1.042 238 V CA 2.025 64.345 62.300 0.034 0.000 1.006 238 V CB -0.653 31.191 31.823 0.035 0.000 0.641 238 V HN 0.411 nan 8.190 nan 0.000 0.446 239 S N -0.309 115.417 115.700 0.044 0.000 2.488 239 S HA -0.163 4.307 4.470 -0.000 0.000 0.246 239 S C 0.895 175.519 174.600 0.041 0.000 0.992 239 S CA 0.705 58.930 58.200 0.042 0.000 0.963 239 S CB -0.552 62.665 63.200 0.028 0.000 0.754 239 S HN 0.754 nan 8.310 nan 0.000 0.519 240 E N 2.834 123.062 120.200 0.047 0.000 2.415 240 E HA 0.017 4.367 4.350 -0.000 0.000 0.263 240 E C -1.053 175.589 176.600 0.070 0.000 0.995 240 E CA -1.356 55.077 56.400 0.056 0.000 0.915 240 E CB 0.541 30.278 29.700 0.061 0.000 0.951 240 E HN 0.067 nan 8.360 nan 0.000 0.449 241 P HA -0.163 nan 4.420 nan 0.000 0.213 241 P C 0.591 177.818 177.300 -0.121 0.000 1.170 241 P CA 1.349 64.392 63.100 -0.095 0.000 0.889 241 P CB -0.171 31.405 31.700 -0.206 0.000 0.782 242 Y N 0.348 120.657 120.300 0.016 0.000 2.632 242 Y HA 0.223 4.773 4.550 -0.000 0.000 0.301 242 Y C 1.727 177.752 175.900 0.209 0.000 1.172 242 Y CA 0.606 58.756 58.100 0.084 0.000 1.328 242 Y CB -1.256 37.234 38.460 0.050 0.000 1.016 242 Y HN 0.051 nan 8.280 nan 0.000 0.529 243 G N 1.157 110.137 108.800 0.300 0.000 2.396 243 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.288 243 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.288 243 G C 0.343 175.422 174.900 0.298 0.000 0.926 243 G CA 0.938 46.211 45.100 0.288 0.000 1.211 243 G HN 0.429 nan 8.290 nan 0.000 0.496 244 D N -0.492 120.046 120.400 0.230 0.000 2.327 244 D HA 0.103 4.743 4.640 -0.000 0.000 0.205 244 D C 2.489 178.797 176.300 0.012 0.000 0.989 244 D CA 0.941 55.052 54.000 0.185 0.000 0.873 244 D CB 0.187 41.097 40.800 0.183 0.000 0.955 244 D HN 0.398 nan 8.370 nan 0.000 0.515 245 S N 0.476 116.176 115.700 -0.000 0.000 2.436 245 S HA -0.055 4.415 4.470 -0.000 0.000 0.215 245 S C 0.975 175.465 174.600 -0.184 0.000 1.047 245 S CA 0.788 58.943 58.200 -0.075 0.000 1.086 245 S CB -0.415 62.751 63.200 -0.055 0.000 1.072 245 S HN 0.332 nan 8.310 nan 0.000 0.411 246 L N -1.209 119.924 121.223 -0.151 0.000 2.370 246 L HA 0.682 5.022 4.340 -0.000 0.000 0.266 246 L C -0.264 176.646 176.870 0.067 0.000 1.002 246 L CA -0.921 53.788 54.840 -0.218 0.000 0.818 246 L CB 1.554 43.551 42.059 -0.103 0.000 1.325 246 L HN 0.358 nan 8.230 nan 0.000 0.418 247 F N 0.045 120.107 119.950 0.186 0.000 2.789 247 F HA 0.529 5.056 4.527 -0.000 0.000 0.320 247 F C -0.328 175.644 175.800 0.286 0.000 1.079 247 F CA -1.262 56.861 58.000 0.205 0.000 1.205 247 F CB -0.138 38.966 39.000 0.174 0.000 1.046 247 F HN 0.330 nan 8.300 nan 0.000 0.586 248 F N 2.583 122.925 119.950 0.655 0.000 2.561 248 F HA 0.632 5.159 4.527 -0.000 0.000 0.313 248 F C -1.524 174.438 175.800 0.271 0.000 1.126 248 F CA -2.073 56.123 58.000 0.327 0.000 0.918 248 F CB 1.609 40.744 39.000 0.225 0.000 1.199 248 F HN 0.115 nan 8.300 nan 0.000 0.444 249 Y N 5.479 125.161 120.300 -1.030 0.000 2.521 249 Y HA 0.656 5.206 4.550 -0.000 0.000 0.326 249 Y C -2.618 172.748 175.900 -0.891 0.000 1.176 249 Y CA -1.879 55.714 58.100 -0.845 0.000 1.079 249 Y CB 0.832 39.060 38.460 -0.386 0.000 1.341 249 Y HN 0.521 nan 8.280 nan 0.000 0.456 250 L N 2.337 123.124 121.223 -0.726 0.000 2.476 250 L HA 0.766 5.106 4.340 -0.000 0.000 0.269 250 L C -0.611 176.089 176.870 -0.283 0.000 0.965 250 L CA -1.747 52.719 54.840 -0.623 0.000 0.845 250 L CB 1.763 43.443 42.059 -0.631 0.000 1.259 250 L HN 0.899 nan 8.230 nan 0.000 0.403 251 R N 1.086 121.482 120.500 -0.175 0.000 2.758 251 R HA 0.967 5.307 4.340 -0.000 0.000 0.265 251 R C -0.634 175.650 176.300 -0.027 0.000 1.016 251 R CA -0.963 55.131 56.100 -0.010 0.000 1.040 251 R CB 1.853 32.201 30.300 0.081 0.000 1.152 251 R HN 0.664 nan 8.270 nan 0.000 0.503 252 R N 0.713 121.238 120.500 0.042 0.000 3.090 252 R HA 0.113 4.453 4.340 -0.000 0.000 0.279 252 R C -1.777 174.568 176.300 0.075 0.000 1.462 252 R CA -0.190 55.928 56.100 0.030 0.000 1.044 252 R CB 1.005 31.299 30.300 -0.009 0.000 1.365 252 R HN 0.962 nan 8.270 nan 0.000 0.399 253 E N 3.286 123.541 120.200 0.090 0.000 2.288 253 E HA 0.453 4.803 4.350 -0.000 0.000 0.268 253 E C -1.365 175.283 176.600 0.079 0.000 0.885 253 E CA -1.163 55.297 56.400 0.100 0.000 0.767 253 E CB 2.665 32.443 29.700 0.129 0.000 1.220 253 E HN 0.483 nan 8.360 nan 0.000 0.427 254 Q N 2.417 122.264 119.800 0.078 0.000 2.352 254 Q HA 0.579 4.919 4.340 -0.000 0.000 0.270 254 Q C -1.175 174.884 176.000 0.098 0.000 1.006 254 Q CA -0.961 54.890 55.803 0.079 0.000 0.880 254 Q CB 2.299 31.079 28.738 0.070 0.000 1.392 254 Q HN 0.632 nan 8.270 nan 0.000 0.401 255 M N 3.017 122.687 119.600 0.116 0.000 2.773 255 M HA 0.772 5.252 4.480 -0.000 0.000 0.270 255 M C -2.115 174.334 176.300 0.249 0.000 1.238 255 M CA -0.553 54.827 55.300 0.133 0.000 0.832 255 M CB 2.480 35.103 32.600 0.039 0.000 1.672 255 M HN 1.005 nan 8.290 nan 0.000 0.480 256 F N 0.208 120.135 119.950 -0.037 0.000 2.877 256 F HA 0.700 5.227 4.527 -0.000 0.000 0.319 256 F C -1.670 174.088 175.800 -0.070 0.000 1.174 256 F CA -1.054 56.917 58.000 -0.049 0.000 0.903 256 F CB 0.511 39.481 39.000 -0.050 0.000 1.357 256 F HN 0.393 nan 8.300 nan 0.000 0.472 257 V N 1.554 121.527 119.914 0.098 0.000 2.372 257 V HA 0.485 4.605 4.120 -0.000 0.000 0.261 257 V C 0.901 176.842 176.094 -0.255 0.000 1.055 257 V CA -0.148 62.077 62.300 -0.126 0.000 0.930 257 V CB 0.463 32.281 31.823 -0.009 0.000 1.031 257 V HN 1.046 nan 8.190 nan 0.000 0.479 258 R N 3.559 123.732 120.500 -0.545 0.000 2.052 258 R HA 0.124 4.464 4.340 -0.000 0.000 0.226 258 R C 0.545 176.598 176.300 -0.412 0.000 1.145 258 R CA 1.416 57.248 56.100 -0.447 0.000 0.952 258 R CB -0.074 29.987 30.300 -0.399 0.000 0.847 258 R HN 0.865 nan 8.270 nan 0.000 0.431 259 H N -2.203 116.632 119.070 -0.393 0.000 2.864 259 H HA 0.501 5.057 4.556 -0.000 0.000 0.354 259 H C -1.474 173.515 175.328 -0.564 0.000 1.208 259 H CA -0.858 54.899 56.048 -0.485 0.000 1.191 259 H CB 1.557 30.884 29.762 -0.725 0.000 1.889 259 H HN -0.062 nan 8.280 nan 0.000 0.574 260 L N 1.716 122.759 121.223 -0.300 0.000 2.333 260 L HA 0.427 4.767 4.340 -0.000 0.000 0.280 260 L C -1.062 175.703 176.870 -0.174 0.000 1.004 260 L CA -0.053 54.614 54.840 -0.288 0.000 0.820 260 L CB 0.655 42.630 42.059 -0.142 0.000 1.247 260 L HN 0.429 nan 8.230 nan 0.000 0.416 261 F N 0.531 120.285 119.950 -0.326 0.000 2.598 261 F HA 0.463 4.990 4.527 -0.000 0.000 0.327 261 F C 0.259 175.983 175.800 -0.127 0.000 1.057 261 F CA -1.040 56.734 58.000 -0.376 0.000 0.957 261 F CB 2.153 40.694 39.000 -0.765 0.000 1.278 261 F HN 0.461 nan 8.300 nan 0.000 0.484 262 N N 0.857 119.689 118.700 0.221 0.000 2.408 262 N HA 0.234 4.974 4.740 -0.000 0.000 0.280 262 N C -0.973 174.702 175.510 0.275 0.000 1.002 262 N CA -0.824 52.340 53.050 0.190 0.000 0.907 262 N CB 0.892 39.431 38.487 0.087 0.000 1.161 262 N HN 0.364 nan 8.380 nan 0.000 0.488 263 R N 2.044 122.691 120.500 0.245 0.000 2.316 263 R HA 0.205 4.545 4.340 -0.000 0.000 0.314 263 R C -0.013 176.295 176.300 0.013 0.000 1.069 263 R CA -0.184 55.986 56.100 0.116 0.000 0.959 263 R CB 0.628 30.939 30.300 0.018 0.000 0.987 263 R HN 0.541 nan 8.270 nan 0.000 0.446 264 A N 1.941 124.755 122.820 -0.009 0.000 2.310 264 A HA 0.618 4.938 4.320 -0.000 0.000 0.260 264 A C 0.745 178.301 177.584 -0.046 0.000 1.112 264 A CA 0.604 52.623 52.037 -0.030 0.000 0.804 264 A CB 0.158 19.132 19.000 -0.043 0.000 1.081 264 A HN 0.861 nan 8.150 nan 0.000 0.499 265 G N -1.448 107.327 108.800 -0.043 0.000 2.498 265 G HA2 0.360 4.320 3.960 -0.000 0.000 0.651 265 G HA3 0.360 4.320 3.960 -0.000 0.000 0.651 265 G C -0.111 174.766 174.900 -0.038 0.000 1.284 265 G CA 0.021 45.094 45.100 -0.045 0.000 0.950 265 G HN 2.107 nan 8.290 nan 0.000 0.511 266 T N -1.575 112.958 114.554 -0.035 0.000 2.897 266 T HA 0.531 4.881 4.350 -0.000 0.000 0.294 266 T C 0.805 175.488 174.700 -0.028 0.000 1.004 266 T CA -0.025 62.058 62.100 -0.029 0.000 1.106 266 T CB 1.490 70.343 68.868 -0.025 0.000 0.949 266 T HN 1.655 nan 8.240 nan 0.000 0.520 267 V N 4.139 124.039 119.914 -0.025 0.000 2.536 267 V HA 0.086 4.206 4.120 -0.000 0.000 0.287 267 V C 1.833 177.917 176.094 -0.016 0.000 0.979 267 V CA 0.818 63.105 62.300 -0.021 0.000 1.161 267 V CB -0.961 30.854 31.823 -0.013 0.000 0.915 267 V HN 1.211 nan 8.190 nan 0.000 0.467 268 G N 4.769 113.558 108.800 -0.019 0.000 2.394 268 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.214 268 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.214 268 G C 0.448 175.344 174.900 -0.006 0.000 1.176 268 G CA 0.182 45.273 45.100 -0.015 0.000 0.786 268 G HN 0.690 nan 8.290 nan 0.000 0.533 269 E N -0.267 119.931 120.200 -0.003 0.000 2.293 269 E HA 0.365 4.715 4.350 -0.000 0.000 0.270 269 E C -1.528 175.081 176.600 0.014 0.000 0.879 269 E CA -0.676 55.728 56.400 0.006 0.000 0.756 269 E CB 1.785 31.489 29.700 0.006 0.000 1.208 269 E HN 0.093 nan 8.360 nan 0.000 0.428 270 N N 0.348 119.063 118.700 0.025 0.000 2.473 270 N HA 0.219 4.959 4.740 -0.000 0.000 0.291 270 N C -0.928 174.625 175.510 0.072 0.000 1.083 270 N CA -0.444 52.632 53.050 0.043 0.000 0.951 270 N CB 1.353 39.869 38.487 0.049 0.000 1.164 270 N HN 0.113 nan 8.380 nan 0.000 0.480 271 V N 3.772 123.746 119.914 0.100 0.000 2.540 271 V HA 0.091 4.211 4.120 -0.000 0.000 0.297 271 V C -1.863 174.368 176.094 0.229 0.000 1.024 271 V CA -0.898 61.500 62.300 0.164 0.000 1.105 271 V CB 0.206 32.143 31.823 0.189 0.000 0.938 271 V HN 0.667 nan 8.190 nan 0.000 0.482 272 P HA 0.113 nan 4.420 nan 0.000 0.268 272 P C -0.013 177.259 177.300 -0.047 0.000 1.204 272 P CA -0.297 62.835 63.100 0.053 0.000 0.768 272 P CB 0.360 32.079 31.700 0.031 0.000 0.842 273 D N 1.029 121.333 120.400 -0.160 0.000 2.348 273 D HA -0.102 4.538 4.640 -0.000 0.000 0.248 273 D C 0.231 176.260 176.300 -0.452 0.000 1.142 273 D CA 0.474 54.191 54.000 -0.471 0.000 0.904 273 D CB -0.610 40.023 40.800 -0.278 0.000 0.901 273 D HN 0.397 nan 8.370 nan 0.000 0.523 274 D N -0.279 119.955 120.400 -0.278 0.000 2.500 274 D HA -0.006 4.634 4.640 -0.000 0.000 0.217 274 D C 1.585 177.821 176.300 -0.107 0.000 1.159 274 D CA -0.203 53.694 54.000 -0.171 0.000 0.828 274 D CB -0.204 40.544 40.800 -0.088 0.000 1.039 274 D HN 0.254 nan 8.370 nan 0.000 0.512 275 L N -0.075 121.094 121.223 -0.089 0.000 2.591 275 L HA 0.167 4.507 4.340 -0.000 0.000 0.228 275 L C 0.411 177.421 176.870 0.232 0.000 1.133 275 L CA 0.261 55.153 54.840 0.087 0.000 0.880 275 L CB -0.660 41.511 42.059 0.186 0.000 1.033 275 L HN 0.113 nan 8.230 nan 0.000 0.450 276 Y N -1.963 118.355 120.300 0.030 0.000 2.953 276 Y HA 0.686 5.236 4.550 -0.000 0.000 0.321 276 Y C -1.078 174.839 175.900 0.028 0.000 1.514 276 Y CA -2.074 56.046 58.100 0.034 0.000 1.091 276 Y CB 0.685 39.171 38.460 0.044 0.000 1.700 276 Y HN -0.231 nan 8.280 nan 0.000 0.436 277 I N 1.104 121.909 120.570 0.392 0.000 2.892 277 I HA 0.432 4.602 4.170 -0.000 0.000 0.306 277 I C -0.582 175.753 176.117 0.364 0.000 1.078 277 I CA -1.580 59.858 61.300 0.231 0.000 1.032 277 I CB 1.726 39.803 38.000 0.128 0.000 1.229 277 I HN 0.352 nan 8.210 nan 0.000 0.435 278 K N 1.911 122.436 120.400 0.208 0.000 2.397 278 K HA 0.277 4.597 4.320 -0.000 0.000 0.265 278 K C 0.329 177.006 176.600 0.128 0.000 0.982 278 K CA 0.161 56.562 56.287 0.191 0.000 0.931 278 K CB 0.732 33.290 32.500 0.096 0.000 0.943 278 K HN 0.942 nan 8.250 nan 0.000 0.501 279 G N -0.222 108.627 108.800 0.081 0.000 3.341 279 G HA2 0.358 4.318 3.960 -0.000 0.000 0.177 279 G HA3 0.358 4.318 3.960 -0.000 0.000 0.177 279 G C -0.896 174.016 174.900 0.019 0.000 1.236 279 G CA -0.179 44.950 45.100 0.048 0.000 0.888 279 G HN 0.578 nan 8.290 nan 0.000 0.644 280 S N -1.356 114.342 115.700 -0.003 0.000 2.572 280 S HA 0.580 5.050 4.470 -0.000 0.000 0.274 280 S C 0.693 175.271 174.600 -0.036 0.000 1.150 280 S CA 0.696 58.890 58.200 -0.010 0.000 0.944 280 S CB 1.217 64.418 63.200 0.003 0.000 1.071 280 S HN 2.398 nan 8.310 nan 0.000 0.479 281 G N 4.198 112.973 108.800 -0.042 0.000 2.698 281 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.337 281 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.337 281 G C 1.385 176.221 174.900 -0.107 0.000 1.286 281 G CA 2.366 47.432 45.100 -0.057 0.000 1.000 281 G HN 2.232 nan 8.290 nan 0.000 0.547 282 S N -0.614 115.020 115.700 -0.110 0.000 2.407 282 S HA -0.327 4.143 4.470 -0.000 0.000 0.244 282 S C 2.379 176.723 174.600 -0.427 0.000 1.077 282 S CA 4.170 62.251 58.200 -0.198 0.000 1.159 282 S CB -1.724 61.420 63.200 -0.092 0.000 1.045 282 S HN 2.301 nan 8.310 nan 0.000 0.438 283 T N -1.020 113.371 114.554 -0.272 0.000 3.160 283 T HA 0.503 4.853 4.350 -0.000 0.000 0.257 283 T C 1.316 175.900 174.700 -0.193 0.000 1.147 283 T CA 0.557 62.505 62.100 -0.252 0.000 1.064 283 T CB -0.267 68.636 68.868 0.059 0.000 0.949 283 T HN 0.648 nan 8.240 nan 0.000 0.526 284 A N 0.809 123.522 122.820 -0.178 0.000 2.308 284 A HA 0.408 4.728 4.320 -0.000 0.000 0.217 284 A C 0.841 178.365 177.584 -0.102 0.000 1.216 284 A CA -0.426 51.560 52.037 -0.085 0.000 0.864 284 A CB -0.105 18.863 19.000 -0.052 0.000 0.902 284 A HN 0.411 nan 8.150 nan 0.000 0.499 285 N N 0.432 119.013 118.700 -0.200 0.000 2.746 285 N HA 0.403 5.143 4.740 -0.000 0.000 0.250 285 N C -1.212 174.182 175.510 -0.193 0.000 1.146 285 N CA -0.446 52.502 53.050 -0.170 0.000 0.828 285 N CB 0.317 38.713 38.487 -0.152 0.000 1.158 285 N HN 0.081 nan 8.380 nan 0.000 0.519 286 L N 1.595 122.753 121.223 -0.109 0.000 2.678 286 L HA 0.048 4.388 4.340 -0.000 0.000 0.285 286 L C 0.977 177.855 176.870 0.015 0.000 1.233 286 L CA 0.545 55.361 54.840 -0.041 0.000 0.920 286 L CB -0.195 41.797 42.059 -0.110 0.000 1.176 286 L HN 0.476 nan 8.230 nan 0.000 0.495 287 A N 3.165 126.074 122.820 0.148 0.000 2.287 287 A HA 0.380 4.700 4.320 -0.000 0.000 0.273 287 A C 0.575 178.160 177.584 0.001 0.000 1.091 287 A CA -0.370 51.739 52.037 0.121 0.000 0.817 287 A CB 0.338 19.479 19.000 0.234 0.000 1.069 287 A HN 0.671 nan 8.150 nan 0.000 0.492 288 S N 0.259 115.940 115.700 -0.032 0.000 3.361 288 S HA -0.035 4.435 4.470 -0.000 0.000 0.396 288 S C 1.347 175.789 174.600 -0.263 0.000 1.165 288 S CA 0.665 58.799 58.200 -0.110 0.000 1.192 288 S CB -0.280 62.871 63.200 -0.083 0.000 0.843 288 S HN 1.024 nan 8.310 nan 0.000 0.528 289 S N 4.109 119.653 115.700 -0.260 0.000 2.558 289 S HA 0.113 4.583 4.470 -0.000 0.000 0.217 289 S C 0.544 174.771 174.600 -0.620 0.000 0.975 289 S CA -0.188 57.753 58.200 -0.432 0.000 0.912 289 S CB -0.371 62.726 63.200 -0.173 0.000 0.776 289 S HN 0.848 nan 8.310 nan 0.000 0.526 290 N N 2.276 120.767 118.700 -0.349 0.000 2.819 290 N HA 0.108 4.848 4.740 -0.000 0.000 0.284 290 N C -1.117 174.321 175.510 -0.120 0.000 1.196 290 N CA -0.172 52.758 53.050 -0.200 0.000 1.114 290 N CB 0.109 38.553 38.487 -0.073 0.000 1.437 290 N HN 0.408 nan 8.380 nan 0.000 0.518 291 Y N 1.455 121.831 120.300 0.128 0.000 2.314 291 Y HA 0.355 4.905 4.550 -0.000 0.000 0.334 291 Y C 0.332 176.384 175.900 0.253 0.000 1.266 291 Y CA -0.812 57.377 58.100 0.150 0.000 1.391 291 Y CB 0.368 38.867 38.460 0.066 0.000 1.306 291 Y HN 0.261 nan 8.280 nan 0.000 0.558 292 F N -0.019 120.102 119.950 0.285 0.000 2.665 292 F HA 0.833 5.360 4.527 -0.000 0.000 0.308 292 F C -3.640 172.294 175.800 0.222 0.000 1.112 292 F CA -2.675 55.463 58.000 0.230 0.000 0.972 292 F CB 1.980 41.090 39.000 0.184 0.000 1.295 292 F HN 0.174 nan 8.300 nan 0.000 0.440 293 P HA 0.362 nan 4.420 nan 0.000 0.305 293 P C -1.287 176.010 177.300 -0.004 0.000 1.390 293 P CA -0.513 62.508 63.100 -0.132 0.000 1.054 293 P CB 2.379 34.036 31.700 -0.073 0.000 1.335 294 T N 0.593 115.036 114.554 -0.184 0.000 2.884 294 T HA 0.358 4.708 4.350 -0.000 0.000 0.298 294 T C -1.919 172.605 174.700 -0.293 0.000 0.998 294 T CA -1.407 60.598 62.100 -0.158 0.000 1.124 294 T CB -0.029 68.755 68.868 -0.140 0.000 0.931 294 T HN 0.317 nan 8.240 nan 0.000 0.531 295 P HA 0.400 nan 4.420 nan 0.000 0.279 295 P C -0.633 176.408 177.300 -0.431 0.000 1.282 295 P CA -0.607 62.272 63.100 -0.369 0.000 0.788 295 P CB 0.955 32.480 31.700 -0.291 0.000 1.139 296 S N -1.340 114.076 115.700 -0.474 0.000 2.605 296 S HA 0.537 5.007 4.470 -0.000 0.000 0.279 296 S C -0.781 173.710 174.600 -0.181 0.000 1.166 296 S CA -0.640 57.275 58.200 -0.474 0.000 0.975 296 S CB 0.070 62.619 63.200 -1.086 0.000 1.111 296 S HN 0.630 nan 8.310 nan 0.000 0.465 297 G N 2.684 111.457 108.800 -0.045 0.000 2.377 297 G HA2 0.496 4.456 3.960 -0.000 0.000 0.316 297 G HA3 0.496 4.456 3.960 -0.000 0.000 0.316 297 G C 0.137 175.094 174.900 0.095 0.000 1.115 297 G CA -0.325 44.808 45.100 0.055 0.000 0.952 297 G HN 0.792 nan 8.290 nan 0.000 0.441 298 S N 2.540 118.344 115.700 0.173 0.000 2.587 298 S HA 0.157 4.627 4.470 -0.000 0.000 0.260 298 S C 1.168 175.822 174.600 0.090 0.000 1.353 298 S CA -0.599 57.703 58.200 0.170 0.000 0.995 298 S CB 0.162 63.451 63.200 0.149 0.000 0.912 298 S HN 0.672 nan 8.310 nan 0.000 0.568 299 M N 3.111 122.754 119.600 0.072 0.000 2.187 299 M HA -0.089 4.391 4.480 -0.000 0.000 0.448 299 M C -0.546 175.776 176.300 0.037 0.000 1.308 299 M CA 0.166 55.491 55.300 0.042 0.000 0.727 299 M CB -0.204 32.412 32.600 0.027 0.000 1.947 299 M HN 0.461 nan 8.290 nan 0.000 0.535 300 V N 3.302 123.235 119.914 0.033 0.000 2.439 300 V HA 0.657 4.777 4.120 -0.000 0.000 0.282 300 V C -0.043 176.067 176.094 0.026 0.000 1.039 300 V CA -0.529 61.791 62.300 0.034 0.000 0.913 300 V CB 1.350 33.194 31.823 0.034 0.000 0.983 300 V HN 0.862 nan 8.190 nan 0.000 0.460 301 T N 2.529 117.099 114.554 0.026 0.000 2.841 301 T HA 0.328 4.678 4.350 -0.000 0.000 0.285 301 T C 1.124 175.836 174.700 0.020 0.000 0.991 301 T CA 0.344 62.455 62.100 0.018 0.000 0.966 301 T CB 1.681 70.556 68.868 0.012 0.000 0.962 301 T HN 1.115 nan 8.240 nan 0.000 0.438 302 S N 3.608 119.318 115.700 0.016 0.000 2.380 302 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 302 S C 1.010 175.617 174.600 0.011 0.000 1.043 302 S CA 2.212 60.421 58.200 0.016 0.000 1.038 302 S CB -0.649 62.557 63.200 0.010 0.000 0.872 302 S HN 0.876 nan 8.310 nan 0.000 0.456 303 D N 0.614 121.018 120.400 0.006 0.000 2.490 303 D HA 0.387 5.027 4.640 -0.000 0.000 0.255 303 D C 0.736 177.035 176.300 -0.002 0.000 1.248 303 D CA 0.692 54.692 54.000 -0.000 0.000 0.887 303 D CB 0.030 40.828 40.800 -0.003 0.000 0.978 303 D HN 0.435 nan 8.370 nan 0.000 0.491 304 A N -0.351 122.471 122.820 0.004 0.000 2.701 304 A HA 0.036 4.356 4.320 -0.000 0.000 0.241 304 A C 0.461 178.043 177.584 -0.002 0.000 1.231 304 A CA -0.387 51.648 52.037 -0.002 0.000 1.003 304 A CB 0.394 19.398 19.000 0.006 0.000 1.281 304 A HN -0.040 nan 8.150 nan 0.000 0.600 305 Q N 0.973 120.783 119.800 0.017 0.000 3.042 305 Q HA -0.071 4.269 4.340 -0.000 0.000 0.358 305 Q C 0.980 176.941 176.000 -0.065 0.000 1.064 305 Q CA 0.198 56.018 55.803 0.028 0.000 1.188 305 Q CB 0.021 28.791 28.738 0.053 0.000 0.967 305 Q HN 0.485 nan 8.270 nan 0.000 0.414 306 I N 2.405 122.854 120.570 -0.203 0.000 2.928 306 I HA -0.058 4.112 4.170 -0.000 0.000 0.266 306 I C 0.763 176.571 176.117 -0.515 0.000 1.234 306 I CA 0.625 61.639 61.300 -0.477 0.000 1.483 306 I CB -0.699 36.784 38.000 -0.862 0.000 1.097 306 I HN 0.300 nan 8.210 nan 0.000 0.455 307 F N 0.339 120.344 119.950 0.091 0.000 2.461 307 F HA 0.373 4.900 4.527 -0.000 0.000 0.332 307 F C 1.428 177.203 175.800 -0.041 0.000 1.073 307 F CA -0.873 57.163 58.000 0.060 0.000 1.017 307 F CB 0.057 39.077 39.000 0.033 0.000 1.301 307 F HN -0.163 nan 8.300 nan 0.000 0.492 308 N N -0.272 118.482 118.700 0.090 0.000 2.753 308 N HA -0.257 4.483 4.740 -0.000 0.000 0.251 308 N C -0.714 174.710 175.510 -0.143 0.000 1.097 308 N CA 0.918 53.937 53.050 -0.050 0.000 0.786 308 N CB -0.758 37.723 38.487 -0.010 0.000 1.137 308 N HN 0.559 nan 8.380 nan 0.000 0.566 309 K N 0.332 120.596 120.400 -0.227 0.000 2.259 309 K HA 0.464 4.784 4.320 -0.000 0.000 0.252 309 K C -2.773 173.408 176.600 -0.699 0.000 0.936 309 K CA -2.094 54.009 56.287 -0.306 0.000 0.810 309 K CB 1.999 34.412 32.500 -0.145 0.000 1.143 309 K HN -0.175 nan 8.250 nan 0.000 0.427 310 P HA 0.127 nan 4.420 nan 0.000 0.286 310 P C -1.504 175.114 177.300 -1.136 0.000 1.269 310 P CA -0.144 62.282 63.100 -1.123 0.000 0.787 310 P CB 0.331 31.419 31.700 -1.020 0.000 0.920 311 Y N 1.619 121.407 120.300 -0.855 0.000 2.331 311 Y HA 0.352 4.902 4.550 -0.000 0.000 0.338 311 Y C 0.163 175.522 175.900 -0.902 0.000 0.976 311 Y CA -0.987 56.608 58.100 -0.843 0.000 1.137 311 Y CB 1.114 39.017 38.460 -0.928 0.000 1.172 311 Y HN 0.330 nan 8.280 nan 0.000 0.478 312 W N 5.095 126.189 121.300 -0.345 0.000 2.331 312 W HA 0.460 5.120 4.660 -0.000 0.000 0.306 312 W C -0.136 176.151 176.519 -0.386 0.000 1.162 312 W CA -0.724 56.422 57.345 -0.332 0.000 1.232 312 W CB 0.923 30.265 29.460 -0.196 0.000 1.235 312 W HN 0.516 nan 8.180 nan 0.000 0.479 313 L N 4.369 125.507 121.223 -0.142 0.000 2.872 313 L HA 0.036 4.376 4.340 -0.000 0.000 0.245 313 L C 2.237 178.990 176.870 -0.195 0.000 1.211 313 L CA -0.092 54.585 54.840 -0.272 0.000 1.013 313 L CB -0.434 41.399 42.059 -0.377 0.000 1.326 313 L HN 0.609 nan 8.230 nan 0.000 0.525 314 Q N 0.819 120.552 119.800 -0.110 0.000 2.118 314 Q HA -0.220 4.120 4.340 -0.000 0.000 0.211 314 Q C 1.104 177.055 176.000 -0.082 0.000 0.998 314 Q CA 1.477 57.230 55.803 -0.084 0.000 0.872 314 Q CB -0.089 28.614 28.738 -0.058 0.000 0.925 314 Q HN 0.460 nan 8.270 nan 0.000 0.414 315 R N -0.467 119.991 120.500 -0.070 0.000 2.939 315 R HA 0.773 5.113 4.340 -0.000 0.000 0.254 315 R C -1.733 174.538 176.300 -0.048 0.000 1.123 315 R CA -0.024 56.045 56.100 -0.052 0.000 1.020 315 R CB 2.371 32.656 30.300 -0.024 0.000 1.206 315 R HN 0.308 nan 8.270 nan 0.000 0.491 316 A N 0.913 123.725 122.820 -0.015 0.000 2.547 316 A HA 0.153 4.473 4.320 -0.000 0.000 0.300 316 A C -0.526 177.095 177.584 0.062 0.000 1.061 316 A CA -0.770 51.293 52.037 0.044 0.000 0.808 316 A CB 1.361 20.377 19.000 0.028 0.000 1.304 316 A HN 0.750 nan 8.150 nan 0.000 0.393 317 Q N 1.391 121.243 119.800 0.087 0.000 2.368 317 Q HA 0.125 4.465 4.340 -0.000 0.000 0.210 317 Q C 0.934 176.973 176.000 0.066 0.000 0.982 317 Q CA 1.486 57.325 55.803 0.060 0.000 0.884 317 Q CB -0.499 28.287 28.738 0.079 0.000 0.933 317 Q HN 1.175 nan 8.270 nan 0.000 0.460 318 G N -0.619 108.267 108.800 0.145 0.000 2.467 318 G HA2 0.208 4.168 3.960 -0.000 0.000 0.257 318 G HA3 0.208 4.168 3.960 -0.000 0.000 0.257 318 G C -0.559 174.447 174.900 0.176 0.000 1.227 318 G CA -0.392 44.831 45.100 0.206 0.000 0.835 318 G HN 0.279 nan 8.290 nan 0.000 0.556 319 H N 0.352 119.549 119.070 0.211 0.000 2.325 319 H HA -0.153 4.403 4.556 -0.000 0.000 0.293 319 H C 1.694 177.203 175.328 0.303 0.000 1.106 319 H CA 1.832 58.033 56.048 0.255 0.000 1.247 319 H CB 0.124 30.061 29.762 0.292 0.000 1.359 319 H HN 0.532 nan 8.280 nan 0.000 0.488 320 N N 0.264 119.256 118.700 0.487 0.000 2.493 320 N HA -0.032 4.708 4.740 -0.000 0.000 0.275 320 N C 0.037 175.707 175.510 0.267 0.000 1.186 320 N CA 0.042 53.357 53.050 0.440 0.000 0.978 320 N CB 1.097 39.926 38.487 0.569 0.000 1.184 320 N HN 0.248 nan 8.380 nan 0.000 0.487 321 N N -0.244 118.495 118.700 0.066 0.000 2.167 321 N HA 0.252 4.992 4.740 -0.000 0.000 0.234 321 N C -0.302 174.990 175.510 -0.364 0.000 1.312 321 N CA 0.350 53.316 53.050 -0.139 0.000 0.861 321 N CB 0.345 38.788 38.487 -0.073 0.000 1.217 321 N HN 0.751 nan 8.380 nan 0.000 0.504 322 G N 0.445 109.050 108.800 -0.326 0.000 2.363 322 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.213 322 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.213 322 G C -0.811 174.022 174.900 -0.111 0.000 1.028 322 G CA -0.469 44.431 45.100 -0.334 0.000 0.822 322 G HN 0.095 nan 8.290 nan 0.000 0.536 323 I N 2.169 122.621 120.570 -0.197 0.000 2.278 323 I HA 0.236 4.406 4.170 -0.000 0.000 0.296 323 I C 1.063 176.946 176.117 -0.390 0.000 1.121 323 I CA -1.573 59.435 61.300 -0.486 0.000 1.267 323 I CB -0.312 36.987 38.000 -1.167 0.000 1.447 323 I HN 0.202 nan 8.210 nan 0.000 0.509 324 C N 5.783 125.046 119.300 -0.061 0.000 2.894 324 C HA 0.012 4.472 4.460 -0.000 0.000 0.430 324 C C 0.728 175.734 174.990 0.027 0.000 1.048 324 C CA -1.176 57.866 59.018 0.040 0.000 1.158 324 C CB -2.425 25.428 27.740 0.188 0.000 1.634 324 C HN 0.607 nan 8.230 nan 0.000 0.565 325 W N 1.630 122.986 121.300 0.094 0.000 2.520 325 W HA 0.370 5.030 4.660 -0.000 0.000 0.337 325 W C 1.313 177.796 176.519 -0.060 0.000 1.406 325 W CA 0.977 58.314 57.345 -0.014 0.000 1.318 325 W CB 0.087 29.524 29.460 -0.039 0.000 1.338 325 W HN 0.980 nan 8.180 nan 0.000 0.570 326 G N 2.508 111.407 108.800 0.166 0.000 2.184 326 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.206 326 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.206 326 G C 0.361 175.289 174.900 0.047 0.000 0.995 326 G CA -0.172 44.955 45.100 0.045 0.000 0.651 326 G HN 0.647 nan 8.290 nan 0.000 0.511 327 N N -0.430 118.319 118.700 0.082 0.000 2.725 327 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 327 N C 0.164 175.647 175.510 -0.045 0.000 1.103 327 N CA 1.868 54.946 53.050 0.047 0.000 0.707 327 N CB -1.064 37.454 38.487 0.052 0.000 1.043 327 N HN 0.857 nan 8.380 nan 0.000 0.553 328 Q N -0.006 119.749 119.800 -0.074 0.000 2.274 328 Q HA 0.734 5.074 4.340 -0.000 0.000 0.260 328 Q C -0.459 175.395 176.000 -0.243 0.000 0.974 328 Q CA -0.399 55.267 55.803 -0.229 0.000 0.876 328 Q CB 2.145 30.712 28.738 -0.285 0.000 1.297 328 Q HN 0.283 nan 8.270 nan 0.000 0.446 329 L N 3.074 124.091 121.223 -0.342 0.000 2.526 329 L HA 0.464 4.804 4.340 -0.000 0.000 0.263 329 L C -1.729 175.035 176.870 -0.176 0.000 0.943 329 L CA -0.433 54.303 54.840 -0.173 0.000 0.859 329 L CB 1.544 43.594 42.059 -0.016 0.000 1.313 329 L HN 0.741 nan 8.230 nan 0.000 0.406 330 F N 4.755 124.682 119.950 -0.039 0.000 2.453 330 F HA 0.299 4.826 4.527 -0.000 0.000 0.358 330 F C 0.093 175.905 175.800 0.021 0.000 1.129 330 F CA -0.982 56.966 58.000 -0.087 0.000 1.200 330 F CB 1.621 40.479 39.000 -0.237 0.000 1.431 330 F HN 0.086 nan 8.300 nan 0.000 0.503 331 V N 2.127 122.233 119.914 0.319 0.000 2.439 331 V HA 0.131 4.251 4.120 -0.000 0.000 0.271 331 V C 0.234 176.529 176.094 0.334 0.000 1.040 331 V CA -0.024 62.448 62.300 0.286 0.000 1.002 331 V CB 0.735 32.690 31.823 0.221 0.000 1.000 331 V HN 0.551 nan 8.190 nan 0.000 0.477 332 T N 4.814 119.515 114.554 0.246 0.000 2.772 332 T HA 0.630 4.980 4.350 -0.000 0.000 0.288 332 T C -0.333 174.546 174.700 0.299 0.000 0.994 332 T CA -0.492 61.758 62.100 0.251 0.000 0.951 332 T CB 1.415 70.376 68.868 0.155 0.000 0.933 332 T HN 0.346 nan 8.240 nan 0.000 0.447 333 V N 3.331 123.449 119.914 0.339 0.000 2.680 333 V HA 0.666 4.786 4.120 -0.000 0.000 0.309 333 V C -0.454 175.760 176.094 0.199 0.000 1.052 333 V CA -0.856 61.626 62.300 0.303 0.000 0.908 333 V CB 2.151 34.130 31.823 0.260 0.000 1.001 333 V HN 0.713 nan 8.190 nan 0.000 0.431 334 V N 2.917 122.925 119.914 0.157 0.000 2.525 334 V HA 0.534 4.654 4.120 -0.000 0.000 0.299 334 V C -1.202 174.933 176.094 0.069 0.000 1.034 334 V CA -0.321 61.989 62.300 0.017 0.000 0.863 334 V CB 1.861 33.624 31.823 -0.100 0.000 0.999 334 V HN 1.026 nan 8.190 nan 0.000 0.423 335 D N 2.274 122.666 120.400 -0.014 0.000 2.336 335 D HA 0.301 4.941 4.640 -0.000 0.000 0.248 335 D C 0.978 177.288 176.300 0.016 0.000 1.326 335 D CA 0.230 54.209 54.000 -0.035 0.000 0.973 335 D CB 1.835 42.432 40.800 -0.338 0.000 1.255 335 D HN 0.609 nan 8.370 nan 0.000 0.558 336 T N -0.715 113.876 114.554 0.061 0.000 3.043 336 T HA -0.121 4.229 4.350 -0.000 0.000 0.263 336 T C 1.769 176.499 174.700 0.050 0.000 1.094 336 T CA 1.269 63.405 62.100 0.060 0.000 1.127 336 T CB -0.373 68.537 68.868 0.072 0.000 0.905 336 T HN 0.327 nan 8.240 nan 0.000 0.490 337 T N 0.453 115.042 114.554 0.059 0.000 3.118 337 T HA 0.022 4.372 4.350 -0.000 0.000 0.269 337 T C 0.879 175.596 174.700 0.029 0.000 1.166 337 T CA 0.341 62.472 62.100 0.051 0.000 1.073 337 T CB -0.538 68.377 68.868 0.078 0.000 0.884 337 T HN 0.561 nan 8.240 nan 0.000 0.550 338 R N 0.516 121.030 120.500 0.023 0.000 2.640 338 R HA 0.265 4.605 4.340 -0.000 0.000 0.240 338 R C 0.399 176.748 176.300 0.082 0.000 1.519 338 R CA 0.013 56.127 56.100 0.024 0.000 1.570 338 R CB 0.748 31.039 30.300 -0.015 0.000 1.446 338 R HN 0.357 nan 8.270 nan 0.000 0.738 339 S N -1.645 114.063 115.700 0.012 0.000 2.540 339 S HA 0.046 4.516 4.470 -0.000 0.000 0.218 339 S C 0.815 175.209 174.600 -0.344 0.000 0.977 339 S CA -0.320 57.810 58.200 -0.117 0.000 0.918 339 S CB 0.536 63.692 63.200 -0.074 0.000 0.806 339 S HN 0.136 nan 8.310 nan 0.000 0.496 340 T N 4.965 119.413 114.554 -0.177 0.000 2.870 340 T HA 0.306 4.656 4.350 -0.000 0.000 0.300 340 T C -0.297 174.233 174.700 -0.283 0.000 0.989 340 T CA -0.251 61.748 62.100 -0.169 0.000 1.139 340 T CB 0.135 68.970 68.868 -0.054 0.000 0.920 340 T HN 0.624 nan 8.240 nan 0.000 0.537 341 N N 2.746 121.287 118.700 -0.264 0.000 2.443 341 N HA 0.423 5.163 4.740 -0.000 0.000 0.269 341 N C -0.161 175.306 175.510 -0.072 0.000 0.985 341 N CA -0.955 51.965 53.050 -0.217 0.000 0.921 341 N CB 0.845 39.152 38.487 -0.300 0.000 1.195 341 N HN 0.580 nan 8.380 nan 0.000 0.492 342 M N -0.194 119.400 119.600 -0.010 0.000 2.235 342 M HA 0.511 4.991 4.480 -0.000 0.000 0.351 342 M C -0.807 175.510 176.300 0.029 0.000 1.178 342 M CA -0.364 54.945 55.300 0.015 0.000 1.143 342 M CB 0.897 33.516 32.600 0.031 0.000 1.530 342 M HN 0.451 nan 8.290 nan 0.000 0.461 343 S N 4.671 120.395 115.700 0.040 0.000 2.525 343 S HA 0.850 5.320 4.470 -0.000 0.000 0.290 343 S C -0.304 174.350 174.600 0.090 0.000 1.152 343 S CA -1.057 57.184 58.200 0.068 0.000 1.072 343 S CB 1.428 64.661 63.200 0.055 0.000 1.027 343 S HN 0.767 nan 8.310 nan 0.000 0.500 344 L N -0.645 120.663 121.223 0.143 0.000 2.350 344 L HA 0.985 5.325 4.340 -0.000 0.000 0.260 344 L C -0.777 176.237 176.870 0.239 0.000 1.015 344 L CA -1.098 53.832 54.840 0.149 0.000 0.821 344 L CB 1.644 43.771 42.059 0.114 0.000 1.370 344 L HN 0.937 nan 8.230 nan 0.000 0.416 345 C N 0.213 119.648 119.300 0.226 0.000 2.608 345 C HA 0.958 5.418 4.460 -0.000 0.000 0.325 345 C C 0.033 175.210 174.990 0.311 0.000 1.147 345 C CA -0.351 58.847 59.018 0.299 0.000 1.359 345 C CB 0.670 28.550 27.740 0.234 0.000 1.912 345 C HN 1.231 nan 8.230 nan 0.000 0.466 346 A N 3.024 126.044 122.820 0.333 0.000 2.304 346 A HA 0.871 5.191 4.320 -0.000 0.000 0.323 346 A C 0.469 178.157 177.584 0.174 0.000 1.195 346 A CA 0.250 52.425 52.037 0.230 0.000 0.826 346 A CB 0.679 19.795 19.000 0.193 0.000 1.184 346 A HN 2.336 nan 8.150 nan 0.000 0.496 347 A N 1.494 124.334 122.820 0.033 0.000 2.406 347 A HA 0.412 4.732 4.320 -0.000 0.000 0.243 347 A C 0.820 178.256 177.584 -0.247 0.000 1.082 347 A CA -0.041 51.770 52.037 -0.377 0.000 0.786 347 A CB -0.023 18.656 19.000 -0.534 0.000 1.029 347 A HN 1.323 nan 8.150 nan 0.000 0.495 348 I N 0.243 120.607 120.570 -0.344 0.000 3.728 348 I HA 0.134 4.304 4.170 -0.000 0.000 0.307 348 I C 0.461 176.476 176.117 -0.170 0.000 1.276 348 I CA 1.213 62.398 61.300 -0.192 0.000 1.285 348 I CB -0.331 37.559 38.000 -0.184 0.000 1.038 348 I HN 0.797 nan 8.210 nan 0.000 0.445 349 S N -2.253 113.310 115.700 -0.228 0.000 2.709 349 S HA 0.102 4.572 4.470 -0.000 0.000 0.305 349 S C 0.286 174.784 174.600 -0.170 0.000 0.974 349 S CA -0.197 57.908 58.200 -0.157 0.000 0.837 349 S CB -0.256 62.872 63.200 -0.120 0.000 1.032 349 S HN 0.163 nan 8.310 nan 0.000 0.461 350 T N -0.517 113.978 114.554 -0.099 0.000 3.188 350 T HA 0.255 4.605 4.350 -0.000 0.000 0.250 350 T C 1.351 176.026 174.700 -0.043 0.000 1.077 350 T CA 0.645 62.707 62.100 -0.063 0.000 0.967 350 T CB -0.455 68.398 68.868 -0.024 0.000 1.006 350 T HN 0.533 nan 8.240 nan 0.000 0.552 351 S N 1.532 117.196 115.700 -0.059 0.000 2.336 351 S HA 0.005 4.475 4.470 -0.000 0.000 0.214 351 S C 0.578 175.165 174.600 -0.021 0.000 1.032 351 S CA 0.406 58.584 58.200 -0.036 0.000 1.001 351 S CB -0.481 62.694 63.200 -0.041 0.000 0.953 351 S HN 0.577 nan 8.310 nan 0.000 0.430 352 E N 1.611 121.790 120.200 -0.034 0.000 3.225 352 E HA -0.104 4.246 4.350 -0.000 0.000 0.289 352 E C 0.659 177.276 176.600 0.028 0.000 0.885 352 E CA 1.002 57.398 56.400 -0.007 0.000 0.986 352 E CB -0.001 29.686 29.700 -0.022 0.000 0.971 352 E HN 0.566 nan 8.360 nan 0.000 0.508 353 T N -1.263 113.315 114.554 0.040 0.000 3.132 353 T HA 0.244 4.594 4.350 -0.000 0.000 0.274 353 T C 0.068 174.814 174.700 0.077 0.000 1.011 353 T CA -0.055 62.077 62.100 0.055 0.000 0.899 353 T CB -0.102 68.789 68.868 0.038 0.000 1.089 353 T HN 0.448 nan 8.240 nan 0.000 0.543 354 T N -0.913 113.697 114.554 0.093 0.000 2.868 354 T HA 0.528 4.878 4.350 -0.000 0.000 0.306 354 T C -1.292 173.510 174.700 0.170 0.000 1.224 354 T CA -1.022 61.154 62.100 0.126 0.000 1.012 354 T CB 1.489 70.415 68.868 0.096 0.000 1.221 354 T HN 0.180 nan 8.240 nan 0.000 0.499 355 Y N 1.591 121.950 120.300 0.098 0.000 2.442 355 Y HA 0.472 5.022 4.550 -0.000 0.000 0.330 355 Y C 0.049 176.044 175.900 0.157 0.000 1.129 355 Y CA 0.080 58.267 58.100 0.144 0.000 1.365 355 Y CB 0.562 39.043 38.460 0.035 0.000 1.233 355 Y HN 0.515 nan 8.280 nan 0.000 0.529 356 K N 5.875 126.080 120.400 -0.326 0.000 2.535 356 K HA 0.097 4.417 4.320 -0.000 0.000 0.253 356 K C 0.191 176.646 176.600 -0.241 0.000 0.953 356 K CA -0.642 55.537 56.287 -0.180 0.000 0.863 356 K CB 1.409 33.870 32.500 -0.065 0.000 1.111 356 K HN 0.786 nan 8.250 nan 0.000 0.431 357 N N 0.794 119.486 118.700 -0.014 0.000 2.187 357 N HA -0.175 4.565 4.740 -0.000 0.000 0.194 357 N C 0.666 176.222 175.510 0.077 0.000 1.002 357 N CA 1.868 54.995 53.050 0.128 0.000 0.882 357 N CB 0.152 38.758 38.487 0.198 0.000 1.003 357 N HN 0.546 nan 8.380 nan 0.000 0.443 358 T N -3.190 111.379 114.554 0.025 0.000 3.258 358 T HA 0.226 4.576 4.350 -0.000 0.000 0.263 358 T C 0.571 175.241 174.700 -0.049 0.000 0.983 358 T CA -0.482 61.621 62.100 0.005 0.000 0.907 358 T CB -0.069 68.796 68.868 -0.004 0.000 1.096 358 T HN 0.099 nan 8.240 nan 0.000 0.556 359 N N 0.752 119.405 118.700 -0.077 0.000 2.171 359 N HA 0.241 4.981 4.740 -0.000 0.000 0.212 359 N C -1.130 173.993 175.510 -0.646 0.000 1.184 359 N CA -0.677 52.179 53.050 -0.324 0.000 0.888 359 N CB 0.357 38.628 38.487 -0.360 0.000 1.038 359 N HN 0.338 nan 8.380 nan 0.000 0.517 360 F N 0.637 120.523 119.950 -0.106 0.000 2.585 360 F HA 0.423 4.950 4.527 -0.000 0.000 0.319 360 F C -0.093 175.687 175.800 -0.034 0.000 1.165 360 F CA -0.944 57.026 58.000 -0.050 0.000 0.949 360 F CB 1.604 40.578 39.000 -0.043 0.000 1.218 360 F HN -0.358 nan 8.300 nan 0.000 0.453 361 K N 2.740 123.220 120.400 0.133 0.000 2.249 361 K HA 0.310 4.630 4.320 -0.000 0.000 0.280 361 K C -0.370 176.194 176.600 -0.060 0.000 1.033 361 K CA -0.572 55.696 56.287 -0.032 0.000 0.946 361 K CB 0.966 33.406 32.500 -0.101 0.000 1.005 361 K HN 0.463 nan 8.250 nan 0.000 0.469 362 E N 2.786 122.859 120.200 -0.212 0.000 2.158 362 E HA 0.245 4.595 4.350 -0.000 0.000 0.271 362 E C -1.143 175.296 176.600 -0.270 0.000 0.911 362 E CA -0.466 55.876 56.400 -0.096 0.000 0.767 362 E CB 1.149 30.835 29.700 -0.023 0.000 1.120 362 E HN 0.367 nan 8.360 nan 0.000 0.405 363 Y N 1.208 121.569 120.300 0.102 0.000 2.536 363 Y HA 0.480 5.030 4.550 -0.000 0.000 0.347 363 Y C 0.097 176.042 175.900 0.076 0.000 1.000 363 Y CA -0.857 57.312 58.100 0.116 0.000 1.051 363 Y CB 1.766 40.294 38.460 0.113 0.000 1.259 363 Y HN 0.243 nan 8.280 nan 0.000 0.468 364 L N 3.779 125.128 121.223 0.210 0.000 2.341 364 L HA 0.647 4.987 4.340 -0.000 0.000 0.278 364 L C -0.612 176.181 176.870 -0.129 0.000 1.005 364 L CA -0.929 53.917 54.840 0.010 0.000 0.818 364 L CB 1.505 43.517 42.059 -0.080 0.000 1.259 364 L HN 0.559 nan 8.230 nan 0.000 0.418 365 R N 1.504 121.974 120.500 -0.049 0.000 2.854 365 R HA 0.550 4.890 4.340 -0.000 0.000 0.271 365 R C -1.250 175.081 176.300 0.052 0.000 0.994 365 R CA -0.814 55.279 56.100 -0.011 0.000 0.945 365 R CB 2.030 32.351 30.300 0.036 0.000 1.194 365 R HN 0.638 nan 8.270 nan 0.000 0.476 366 H N -0.389 118.638 119.070 -0.071 0.000 2.966 366 H HA 0.440 4.996 4.556 -0.000 0.000 0.347 366 H C -0.745 174.575 175.328 -0.014 0.000 1.048 366 H CA -0.615 55.401 56.048 -0.053 0.000 1.295 366 H CB 1.800 31.508 29.762 -0.090 0.000 1.744 366 H HN 0.770 nan 8.280 nan 0.000 0.513 367 G N 2.772 111.519 108.800 -0.089 0.000 2.425 367 G HA2 0.370 4.330 3.960 -0.000 0.000 0.302 367 G HA3 0.370 4.330 3.960 -0.000 0.000 0.302 367 G C -0.802 173.936 174.900 -0.271 0.000 1.159 367 G CA -0.462 44.557 45.100 -0.134 0.000 0.865 367 G HN 0.634 nan 8.290 nan 0.000 0.515 368 E N 0.795 120.917 120.200 -0.130 0.000 2.361 368 E HA 0.093 4.443 4.350 -0.000 0.000 0.270 368 E C -1.194 175.407 176.600 0.001 0.000 0.911 368 E CA -0.387 55.962 56.400 -0.084 0.000 0.818 368 E CB 2.358 32.071 29.700 0.023 0.000 1.332 368 E HN 0.707 nan 8.360 nan 0.000 0.402 369 E N 3.600 123.729 120.200 -0.119 0.000 2.046 369 E HA 0.240 4.590 4.350 -0.000 0.000 0.279 369 E C -1.075 175.388 176.600 -0.228 0.000 0.989 369 E CA -0.245 56.105 56.400 -0.083 0.000 0.798 369 E CB 0.560 30.223 29.700 -0.061 0.000 1.086 369 E HN 0.336 nan 8.360 nan 0.000 0.399 370 Y N 2.425 122.708 120.300 -0.028 0.000 2.519 370 Y HA 0.346 4.896 4.550 -0.000 0.000 0.324 370 Y C -0.097 175.727 175.900 -0.127 0.000 1.214 370 Y CA -0.445 57.585 58.100 -0.117 0.000 1.260 370 Y CB 1.693 40.047 38.460 -0.177 0.000 1.311 370 Y HN 0.526 nan 8.280 nan 0.000 0.505 371 D N 1.050 121.485 120.400 0.058 0.000 2.349 371 D HA 0.219 4.859 4.640 -0.000 0.000 0.224 371 D C -1.764 174.456 176.300 -0.134 0.000 1.323 371 D CA -0.131 53.844 54.000 -0.041 0.000 0.917 371 D CB 0.343 41.122 40.800 -0.036 0.000 1.524 371 D HN 0.335 nan 8.370 nan 0.000 0.505 372 L N 2.548 123.667 121.223 -0.173 0.000 2.397 372 L HA 0.448 4.788 4.340 -0.000 0.000 0.271 372 L C 0.127 176.851 176.870 -0.243 0.000 1.148 372 L CA -0.228 54.464 54.840 -0.246 0.000 0.825 372 L CB 1.073 43.108 42.059 -0.041 0.000 1.117 372 L HN 0.392 nan 8.230 nan 0.000 0.456 373 Q N 3.502 122.883 119.800 -0.698 0.000 2.347 373 Q HA 0.609 4.949 4.340 -0.000 0.000 0.271 373 Q C -1.376 173.927 176.000 -1.162 0.000 1.064 373 Q CA -0.448 54.969 55.803 -0.643 0.000 0.800 373 Q CB 2.998 31.438 28.738 -0.497 0.000 1.304 373 Q HN 0.340 nan 8.270 nan 0.000 0.438 374 F N 1.028 120.628 119.950 -0.585 0.000 2.662 374 F HA 0.614 5.141 4.527 -0.000 0.000 0.312 374 F C -0.502 174.906 175.800 -0.652 0.000 1.113 374 F CA -0.964 56.642 58.000 -0.657 0.000 0.951 374 F CB 1.601 40.216 39.000 -0.642 0.000 1.344 374 F HN 0.240 nan 8.300 nan 0.000 0.462 375 I N 2.372 122.643 120.570 -0.497 0.000 2.627 375 I HA 0.354 4.524 4.170 -0.000 0.000 0.288 375 I C -1.530 174.361 176.117 -0.378 0.000 1.202 375 I CA -0.743 60.353 61.300 -0.339 0.000 1.050 375 I CB 1.544 39.275 38.000 -0.449 0.000 1.264 375 I HN 0.375 nan 8.210 nan 0.000 0.429 376 F N 3.614 123.544 119.950 -0.033 0.000 2.551 376 F HA 0.486 5.013 4.527 -0.000 0.000 0.316 376 F C 0.389 176.492 175.800 0.504 0.000 1.089 376 F CA -0.689 57.395 58.000 0.138 0.000 0.915 376 F CB 1.851 40.847 39.000 -0.007 0.000 1.186 376 F HN 0.365 nan 8.300 nan 0.000 0.456 377 Q N 3.536 123.748 119.800 0.686 0.000 2.372 377 Q HA 0.437 4.777 4.340 -0.000 0.000 0.259 377 Q C -1.080 175.084 176.000 0.275 0.000 0.993 377 Q CA -1.095 54.999 55.803 0.485 0.000 0.854 377 Q CB 1.462 30.442 28.738 0.404 0.000 1.231 377 Q HN 0.774 nan 8.270 nan 0.000 0.462 378 L N 4.015 125.288 121.223 0.083 0.000 2.485 378 L HA 0.120 4.460 4.340 -0.000 0.000 0.275 378 L C -1.108 175.564 176.870 -0.330 0.000 1.207 378 L CA 0.666 55.281 54.840 -0.375 0.000 0.855 378 L CB 0.464 42.191 42.059 -0.553 0.000 1.114 378 L HN 0.835 nan 8.230 nan 0.000 0.485 379 C N 3.495 122.596 119.300 -0.330 0.000 2.973 379 C HA 0.846 5.305 4.460 -0.000 0.000 0.329 379 C C -0.610 174.264 174.990 -0.192 0.000 1.327 379 C CA -1.067 57.824 59.018 -0.212 0.000 1.632 379 C CB 2.142 29.812 27.740 -0.116 0.000 2.098 379 C HN 0.908 nan 8.230 nan 0.000 0.469 380 K N 0.336 120.686 120.400 -0.084 0.000 2.527 380 K HA 0.789 5.109 4.320 -0.000 0.000 0.260 380 K C -1.859 174.765 176.600 0.039 0.000 0.937 380 K CA -0.443 55.832 56.287 -0.021 0.000 0.826 380 K CB 1.438 33.962 32.500 0.041 0.000 1.359 380 K HN 0.582 nan 8.250 nan 0.000 0.434 381 I N 2.661 123.265 120.570 0.056 0.000 2.420 381 I HA 0.116 4.286 4.170 -0.000 0.000 0.282 381 I C -0.155 175.991 176.117 0.048 0.000 1.019 381 I CA -0.802 60.564 61.300 0.109 0.000 1.130 381 I CB 1.991 40.119 38.000 0.213 0.000 1.262 381 I HN 0.794 nan 8.210 nan 0.000 0.454 382 T N 4.645 119.236 114.554 0.062 0.000 2.761 382 T HA 0.299 4.649 4.350 -0.000 0.000 0.287 382 T C -0.015 174.703 174.700 0.030 0.000 0.931 382 T CA -0.569 61.550 62.100 0.030 0.000 1.164 382 T CB -0.013 68.874 68.868 0.032 0.000 0.876 382 T HN 0.246 nan 8.240 nan 0.000 0.534 383 L N 4.850 126.064 121.223 -0.014 0.000 2.597 383 L HA 0.314 4.653 4.340 -0.000 0.000 0.271 383 L C 1.312 178.192 176.870 0.016 0.000 1.157 383 L CA 0.497 55.332 54.840 -0.008 0.000 0.928 383 L CB -0.374 41.653 42.059 -0.054 0.000 1.216 383 L HN 1.021 nan 8.230 nan 0.000 0.481 384 T N -0.059 114.519 114.554 0.040 0.000 2.864 384 T HA 0.714 5.064 4.350 -0.000 0.000 0.289 384 T C 0.905 175.626 174.700 0.034 0.000 1.082 384 T CA -0.198 61.921 62.100 0.033 0.000 1.009 384 T CB 1.562 70.451 68.868 0.035 0.000 1.234 384 T HN 0.360 nan 8.240 nan 0.000 0.526 385 A N 0.796 123.631 122.820 0.024 0.000 1.873 385 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 385 A C 1.754 179.355 177.584 0.027 0.000 1.186 385 A CA 1.920 53.970 52.037 0.022 0.000 0.616 385 A CB -1.109 17.899 19.000 0.014 0.000 0.823 385 A HN 0.881 nan 8.150 nan 0.000 0.442 386 D N -0.359 120.054 120.400 0.022 0.000 2.269 386 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 386 D C 1.946 178.254 176.300 0.014 0.000 0.963 386 D CA 0.960 54.969 54.000 0.016 0.000 0.864 386 D CB -0.437 40.361 40.800 -0.005 0.000 0.936 386 D HN 0.250 nan 8.370 nan 0.000 0.505 387 V N 1.459 121.388 119.914 0.025 0.000 2.221 387 V HA -0.228 3.892 4.120 -0.000 0.000 0.242 387 V C 2.481 178.637 176.094 0.103 0.000 1.041 387 V CA 1.729 64.057 62.300 0.047 0.000 0.995 387 V CB -0.577 31.305 31.823 0.100 0.000 0.635 387 V HN 0.214 nan 8.190 nan 0.000 0.448 388 M N 0.888 120.553 119.600 0.109 0.000 2.213 388 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 388 M C 2.295 178.677 176.300 0.136 0.000 1.062 388 M CA 2.512 57.896 55.300 0.140 0.000 1.105 388 M CB -0.532 32.137 32.600 0.115 0.000 1.385 388 M HN 0.713 nan 8.290 nan 0.000 0.417 389 T N -1.012 113.597 114.554 0.093 0.000 2.595 389 T HA -0.271 4.079 4.350 -0.000 0.000 0.264 389 T C 1.685 176.481 174.700 0.159 0.000 1.058 389 T CA 1.703 63.856 62.100 0.089 0.000 1.166 389 T CB -1.333 67.572 68.868 0.061 0.000 0.863 389 T HN 0.524 nan 8.240 nan 0.000 0.415 390 Y N 2.439 122.725 120.300 -0.024 0.000 1.997 390 Y HA -0.208 4.342 4.550 -0.000 0.000 0.265 390 Y C 2.408 178.239 175.900 -0.116 0.000 1.193 390 Y CA 1.569 59.621 58.100 -0.081 0.000 1.106 390 Y CB -0.774 37.550 38.460 -0.227 0.000 0.940 390 Y HN 0.253 nan 8.280 nan 0.000 0.494 391 I N -0.686 119.917 120.570 0.055 0.000 2.462 391 I HA -0.414 3.756 4.170 -0.000 0.000 0.259 391 I C 2.432 178.446 176.117 -0.172 0.000 1.156 391 I CA 1.803 63.048 61.300 -0.091 0.000 1.417 391 I CB -0.621 37.456 38.000 0.129 0.000 1.088 391 I HN 0.479 nan 8.210 nan 0.000 0.442 392 H N 0.757 119.749 119.070 -0.129 0.000 2.316 392 H HA 0.008 4.564 4.556 -0.000 0.000 0.314 392 H C 2.343 177.564 175.328 -0.178 0.000 1.057 392 H CA 1.397 57.371 56.048 -0.124 0.000 1.402 392 H CB 0.148 29.885 29.762 -0.042 0.000 1.443 392 H HN 0.100 nan 8.280 nan 0.000 0.559 393 S N 1.198 116.919 115.700 0.036 0.000 2.441 393 S HA -0.203 4.267 4.470 -0.000 0.000 0.242 393 S C 2.207 176.652 174.600 -0.257 0.000 1.018 393 S CA 1.682 59.856 58.200 -0.044 0.000 0.988 393 S CB -0.312 62.904 63.200 0.028 0.000 0.778 393 S HN 0.518 nan 8.310 nan 0.000 0.498 394 M N 0.935 120.217 119.600 -0.530 0.000 2.142 394 M HA 0.067 4.547 4.480 -0.000 0.000 0.256 394 M C 0.357 176.240 176.300 -0.695 0.000 1.098 394 M CA 1.480 56.191 55.300 -0.983 0.000 1.151 394 M CB 0.192 31.969 32.600 -1.372 0.000 1.299 394 M HN 0.162 nan 8.290 nan 0.000 0.431 395 N N 0.154 118.475 118.700 -0.632 0.000 2.599 395 N HA 0.143 4.883 4.740 -0.000 0.000 0.283 395 N C 0.128 175.345 175.510 -0.488 0.000 1.160 395 N CA -0.035 52.697 53.050 -0.530 0.000 0.869 395 N CB 1.266 39.410 38.487 -0.571 0.000 1.448 395 N HN 0.378 nan 8.380 nan 0.000 0.535 396 S N 1.204 116.636 115.700 -0.446 0.000 2.354 396 S HA -0.245 4.225 4.470 -0.000 0.000 0.219 396 S C 2.128 176.568 174.600 -0.268 0.000 1.035 396 S CA 2.174 60.118 58.200 -0.426 0.000 1.037 396 S CB -1.140 61.815 63.200 -0.408 0.000 0.956 396 S HN 0.772 nan 8.310 nan 0.000 0.428 397 T N 2.294 116.705 114.554 -0.237 0.000 2.736 397 T HA -0.230 4.119 4.350 -0.000 0.000 0.265 397 T C 1.711 176.269 174.700 -0.236 0.000 1.031 397 T CA 1.631 63.620 62.100 -0.185 0.000 1.155 397 T CB -1.078 67.691 68.868 -0.166 0.000 0.849 397 T HN 0.274 nan 8.240 nan 0.000 0.471 398 I N 2.113 122.458 120.570 -0.376 0.000 2.068 398 I HA -0.173 3.997 4.170 -0.000 0.000 0.238 398 I C 2.697 178.446 176.117 -0.613 0.000 1.046 398 I CA 1.333 62.239 61.300 -0.656 0.000 1.306 398 I CB -1.606 35.873 38.000 -0.867 0.000 1.023 398 I HN 0.338 nan 8.210 nan 0.000 0.399 399 L N 0.167 121.300 121.223 -0.149 0.000 1.989 399 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 399 L C 2.596 179.614 176.870 0.247 0.000 1.071 399 L CA 1.548 56.581 54.840 0.322 0.000 0.749 399 L CB -0.761 41.442 42.059 0.240 0.000 0.890 399 L HN 0.319 nan 8.230 nan 0.000 0.431 400 E N 0.337 120.588 120.200 0.084 0.000 2.005 400 E HA -0.250 4.100 4.350 -0.000 0.000 0.198 400 E C 1.810 178.456 176.600 0.075 0.000 1.010 400 E CA 1.611 58.052 56.400 0.068 0.000 0.825 400 E CB -0.432 29.276 29.700 0.013 0.000 0.769 400 E HN 0.513 nan 8.360 nan 0.000 0.456 401 D N 0.380 120.783 120.400 0.006 0.000 2.191 401 D HA -0.203 4.437 4.640 -0.000 0.000 0.190 401 D C 0.385 176.769 176.300 0.140 0.000 1.007 401 D CA 0.803 54.814 54.000 0.018 0.000 0.865 401 D CB -0.343 40.416 40.800 -0.068 0.000 0.929 401 D HN 0.197 nan 8.370 nan 0.000 0.447 402 W N 2.718 124.060 121.300 0.070 0.000 2.613 402 W HA 0.053 4.713 4.660 -0.000 0.000 0.342 402 W C 1.019 177.582 176.519 0.074 0.000 1.416 402 W CA 0.061 57.458 57.345 0.085 0.000 1.335 402 W CB -0.981 28.538 29.460 0.099 0.000 1.396 402 W HN -0.004 nan 8.180 nan 0.000 0.572 439 D N 4.176 124.598 120.400 0.035 0.000 2.344 439 D HA 0.152 4.792 4.640 -0.000 0.000 0.253 439 D C -1.229 175.122 176.300 0.086 0.000 1.255 439 D CA -1.865 52.173 54.000 0.062 0.000 0.894 439 D CB 1.214 42.061 40.800 0.078 0.000 1.067 439 D HN 0.144 nan 8.370 nan 0.000 0.492 440 P HA -0.142 nan 4.420 nan 0.000 0.223 440 P C 0.704 178.151 177.300 0.246 0.000 1.144 440 P CA 0.854 64.029 63.100 0.124 0.000 0.783 440 P CB 0.194 31.949 31.700 0.092 0.000 0.771 441 L N -1.386 120.001 121.223 0.274 0.000 2.848 441 L HA 0.270 4.610 4.340 -0.000 0.000 0.240 441 L C 2.202 179.271 176.870 0.332 0.000 1.232 441 L CA -0.249 54.859 54.840 0.447 0.000 1.031 441 L CB -0.316 42.030 42.059 0.478 0.000 1.338 441 L HN -0.155 nan 8.230 nan 0.000 0.509 442 K N 1.795 122.305 120.400 0.184 0.000 2.025 442 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 442 K C 1.808 178.388 176.600 -0.034 0.000 1.049 442 K CA 1.234 57.563 56.287 0.071 0.000 0.933 442 K CB 0.206 32.720 32.500 0.023 0.000 0.714 442 K HN 0.090 nan 8.250 nan 0.000 0.438 443 K N 0.229 120.535 120.400 -0.157 0.000 2.569 443 K HA -0.011 4.309 4.320 -0.000 0.000 0.193 443 K C -0.360 175.791 176.600 -0.747 0.000 1.026 443 K CA 0.356 56.380 56.287 -0.438 0.000 1.093 443 K CB -0.448 31.725 32.500 -0.545 0.000 0.849 443 K HN 0.178 nan 8.250 nan 0.000 0.509 444 Y N -0.157 120.048 120.300 -0.159 0.000 2.633 444 Y HA 0.364 4.914 4.550 -0.000 0.000 0.339 444 Y C 0.146 175.665 175.900 -0.634 0.000 1.045 444 Y CA -1.151 56.697 58.100 -0.419 0.000 1.098 444 Y CB 1.907 40.118 38.460 -0.415 0.000 1.296 444 Y HN -0.261 nan 8.280 nan 0.000 0.494 445 T N 2.654 116.722 114.554 -0.809 0.000 2.833 445 T HA 0.606 4.956 4.350 -0.000 0.000 0.297 445 T C -1.203 172.959 174.700 -0.896 0.000 1.015 445 T CA -0.585 61.114 62.100 -0.668 0.000 0.963 445 T CB -0.248 68.420 68.868 -0.335 0.000 0.955 445 T HN 0.333 nan 8.240 nan 0.000 0.449 446 F N 0.174 120.135 119.950 0.019 0.000 2.640 446 F HA 0.525 5.052 4.527 -0.000 0.000 0.324 446 F C -0.302 175.530 175.800 0.053 0.000 1.077 446 F CA -1.585 56.412 58.000 -0.005 0.000 0.965 446 F CB 1.125 40.134 39.000 0.015 0.000 1.351 446 F HN 0.445 nan 8.300 nan 0.000 0.487 447 W N 3.914 125.208 121.300 -0.009 0.000 2.598 447 W HA 0.152 4.812 4.660 -0.000 0.000 0.396 447 W C -0.203 176.332 176.519 0.027 0.000 1.142 447 W CA -0.621 56.645 57.345 -0.130 0.000 1.568 447 W CB -0.465 28.674 29.460 -0.535 0.000 1.637 447 W HN 0.439 nan 8.180 nan 0.000 0.417 448 E N 3.711 124.171 120.200 0.432 0.000 2.729 448 E HA -0.014 4.336 4.350 -0.000 0.000 0.246 448 E C -0.282 176.577 176.600 0.432 0.000 0.984 448 E CA 0.489 57.137 56.400 0.414 0.000 0.951 448 E CB 0.552 30.448 29.700 0.327 0.000 0.914 448 E HN 0.167 nan 8.360 nan 0.000 0.509 449 V N 4.107 124.194 119.914 0.289 0.000 2.444 449 V HA 0.230 4.349 4.120 -0.000 0.000 0.294 449 V C 0.388 176.605 176.094 0.206 0.000 1.022 449 V CA -0.998 61.423 62.300 0.200 0.000 0.850 449 V CB 1.754 33.625 31.823 0.080 0.000 0.992 449 V HN 0.503 nan 8.190 nan 0.000 0.426 450 N N 4.571 123.382 118.700 0.185 0.000 2.457 450 N HA 0.414 5.154 4.740 -0.000 0.000 0.250 450 N C -0.045 175.498 175.510 0.055 0.000 0.982 450 N CA -0.351 52.785 53.050 0.142 0.000 0.941 450 N CB 1.727 40.273 38.487 0.099 0.000 1.120 450 N HN 0.722 nan 8.380 nan 0.000 0.505 451 L N 3.350 124.577 121.223 0.007 0.000 2.693 451 L HA 0.161 4.501 4.340 -0.000 0.000 0.235 451 L C 1.942 178.808 176.870 -0.006 0.000 1.127 451 L CA -0.061 54.775 54.840 -0.005 0.000 0.914 451 L CB 0.243 42.253 42.059 -0.082 0.000 1.193 451 L HN 0.447 nan 8.230 nan 0.000 0.502 452 K N 0.931 121.263 120.400 -0.114 0.000 2.015 452 K HA -0.230 4.090 4.320 -0.000 0.000 0.216 452 K C 0.900 177.425 176.600 -0.125 0.000 1.052 452 K CA 1.682 57.829 56.287 -0.234 0.000 0.937 452 K CB -0.018 32.397 32.500 -0.142 0.000 0.719 452 K HN 0.064 nan 8.250 nan 0.000 0.446 453 E N 0.278 120.472 120.200 -0.010 0.000 2.301 453 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 453 E C 0.434 177.095 176.600 0.102 0.000 1.171 453 E CA 0.283 56.715 56.400 0.054 0.000 1.142 453 E CB 0.386 30.119 29.700 0.055 0.000 1.218 453 E HN 0.094 nan 8.360 nan 0.000 0.448 454 K N -0.851 119.627 120.400 0.130 0.000 2.462 454 K HA 0.166 4.486 4.320 -0.000 0.000 0.201 454 K C 0.155 176.895 176.600 0.234 0.000 1.268 454 K CA -0.031 56.349 56.287 0.156 0.000 0.933 454 K CB 0.183 32.737 32.500 0.090 0.000 1.162 454 K HN 0.071 nan 8.250 nan 0.000 0.527 455 F N 1.862 121.745 119.950 -0.112 0.000 2.586 455 F HA 0.123 4.650 4.527 -0.000 0.000 0.344 455 F C 0.944 176.870 175.800 0.211 0.000 1.188 455 F CA 0.407 58.332 58.000 -0.124 0.000 1.359 455 F CB 0.560 39.204 39.000 -0.594 0.000 1.129 455 F HN -0.209 nan 8.300 nan 0.000 0.609 456 S N 0.611 116.758 115.700 0.745 0.000 2.570 456 S HA 0.592 5.062 4.470 -0.000 0.000 0.286 456 S C 0.104 175.136 174.600 0.721 0.000 1.143 456 S CA -0.192 58.467 58.200 0.766 0.000 0.921 456 S CB 0.876 64.468 63.200 0.655 0.000 1.108 456 S HN 0.849 nan 8.310 nan 0.000 0.456 457 A N 3.010 126.083 122.820 0.422 0.000 1.825 457 A HA 0.109 4.429 4.320 -0.000 0.000 0.214 457 A C 0.529 178.127 177.584 0.023 0.000 1.206 457 A CA 1.551 53.427 52.037 -0.269 0.000 0.609 457 A CB -1.090 17.750 19.000 -0.267 0.000 0.851 457 A HN 0.981 nan 8.150 nan 0.000 0.445 458 D N 0.864 121.317 120.400 0.089 0.000 2.451 458 D HA 0.113 4.753 4.640 -0.000 0.000 0.254 458 D C 0.600 176.958 176.300 0.097 0.000 1.204 458 D CA 0.117 54.154 54.000 0.063 0.000 0.896 458 D CB 0.285 41.091 40.800 0.010 0.000 1.136 458 D HN 0.400 nan 8.370 nan 0.000 0.499 459 L N 1.061 122.358 121.223 0.122 0.000 2.446 459 L HA -0.007 4.332 4.340 -0.000 0.000 0.219 459 L C 0.994 177.887 176.870 0.039 0.000 1.116 459 L CA 0.296 55.259 54.840 0.204 0.000 0.844 459 L CB -0.268 41.934 42.059 0.238 0.000 0.970 459 L HN 0.202 nan 8.230 nan 0.000 0.457 460 D N 0.137 120.519 120.400 -0.032 0.000 2.384 460 D HA -0.148 4.492 4.640 -0.000 0.000 0.222 460 D C 1.678 177.884 176.300 -0.157 0.000 0.976 460 D CA 0.695 54.652 54.000 -0.072 0.000 0.915 460 D CB 0.096 40.858 40.800 -0.064 0.000 0.896 460 D HN 0.279 nan 8.370 nan 0.000 0.523 461 Q N -0.667 118.941 119.800 -0.319 0.000 2.194 461 Q HA 0.215 4.555 4.340 -0.000 0.000 0.214 461 Q C -0.470 174.978 176.000 -0.919 0.000 0.838 461 Q CA 0.045 55.484 55.803 -0.607 0.000 0.972 461 Q CB 0.657 28.964 28.738 -0.719 0.000 1.131 461 Q HN 0.314 nan 8.270 nan 0.000 0.498 462 F N 1.165 121.025 119.950 -0.149 0.000 2.551 462 F HA 0.329 4.856 4.527 -0.000 0.000 0.316 462 F C -1.509 174.263 175.800 -0.046 0.000 1.089 462 F CA -2.253 55.632 58.000 -0.193 0.000 0.915 462 F CB 2.107 40.742 39.000 -0.608 0.000 1.186 462 F HN -0.242 nan 8.300 nan 0.000 0.456 463 P HA -0.152 nan 4.420 nan 0.000 0.216 463 P C 1.794 179.185 177.300 0.153 0.000 1.153 463 P CA 1.295 64.472 63.100 0.128 0.000 0.844 463 P CB 0.735 32.487 31.700 0.087 0.000 0.787 464 L N -0.515 120.823 121.223 0.192 0.000 2.083 464 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 464 L C 2.462 179.518 176.870 0.310 0.000 1.083 464 L CA 2.027 56.967 54.840 0.166 0.000 0.752 464 L CB -1.108 41.011 42.059 0.101 0.000 0.899 464 L HN 0.013 nan 8.230 nan 0.000 0.433 465 G N -0.665 108.364 108.800 0.382 0.000 2.404 465 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.214 465 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.214 465 G C 1.495 176.535 174.900 0.233 0.000 1.189 465 G CA 0.449 45.773 45.100 0.374 0.000 0.789 465 G HN 0.279 nan 8.290 nan 0.000 0.533 466 R N 0.546 121.138 120.500 0.153 0.000 2.227 466 R HA -0.247 4.093 4.340 -0.000 0.000 0.259 466 R C 2.589 178.939 176.300 0.082 0.000 1.139 466 R CA 2.175 58.321 56.100 0.076 0.000 0.969 466 R CB -0.323 30.009 30.300 0.054 0.000 0.903 466 R HN 0.339 nan 8.270 nan 0.000 0.452 467 K N -0.510 119.988 120.400 0.164 0.000 1.984 467 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 467 K C 1.940 178.676 176.600 0.226 0.000 1.046 467 K CA 1.394 57.813 56.287 0.220 0.000 0.934 467 K CB -0.419 32.274 32.500 0.322 0.000 0.717 467 K HN 0.040 nan 8.250 nan 0.000 0.438 468 F N 2.211 122.257 119.950 0.161 0.000 2.087 468 F HA -0.266 4.260 4.527 -0.000 0.000 0.299 468 F C 1.896 177.492 175.800 -0.340 0.000 1.100 468 F CA 1.297 59.140 58.000 -0.262 0.000 1.226 468 F CB -0.727 38.212 39.000 -0.103 0.000 0.983 468 F HN -0.075 nan 8.300 nan 0.000 0.479 469 L N 0.290 121.218 121.223 -0.491 0.000 2.012 469 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 469 L C 2.288 178.916 176.870 -0.403 0.000 1.073 469 L CA 1.634 56.146 54.840 -0.546 0.000 0.748 469 L CB -0.859 41.059 42.059 -0.236 0.000 0.891 469 L HN 0.285 nan 8.230 nan 0.000 0.431 470 L N -0.954 120.131 121.223 -0.230 0.000 2.749 470 L HA -0.120 4.220 4.340 -0.000 0.000 0.245 470 L C 1.705 178.446 176.870 -0.215 0.000 1.156 470 L CA 0.310 55.045 54.840 -0.176 0.000 0.890 470 L CB -0.176 41.833 42.059 -0.083 0.000 1.036 470 L HN 0.526 nan 8.230 nan 0.000 0.441 471 Q N -0.577 119.009 119.800 -0.356 0.000 2.061 471 Q HA 0.192 4.532 4.340 -0.000 0.000 0.159 471 Q C 0.647 176.395 176.000 -0.420 0.000 0.530 471 Q CA -0.175 55.399 55.803 -0.382 0.000 0.728 471 Q CB 0.088 28.518 28.738 -0.514 0.000 1.004 471 Q HN 0.140 nan 8.270 nan 0.000 0.426 472 L N 0.000 120.905 121.223 -0.530 0.000 2.949 472 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 472 L CA 0.000 54.630 54.840 -0.349 0.000 0.813 472 L CB 0.000 41.821 42.059 -0.397 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502