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 1ax9_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EXXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.657 174.600 0.096 0.000 1.055 4 S CA 0.000 58.239 58.200 0.065 0.000 1.107 4 S CB 0.000 63.238 63.200 0.063 0.000 0.593 5 E N 1.577 121.840 120.200 0.105 0.000 2.338 5 E HA 0.015 4.365 4.350 -0.001 0.000 0.197 5 E C 1.016 177.766 176.600 0.249 0.000 1.007 5 E CA 0.928 57.419 56.400 0.150 0.000 0.849 5 E CB -0.015 29.762 29.700 0.128 0.000 0.774 5 E HN 0.632 nan 8.360 nan 0.000 0.506 6 L N 0.506 121.854 121.223 0.208 0.000 2.585 6 L HA 0.169 4.508 4.340 -0.001 0.000 0.226 6 L C 0.265 177.372 176.870 0.395 0.000 1.113 6 L CA -0.313 54.673 54.840 0.242 0.000 0.876 6 L CB 0.435 42.511 42.059 0.029 0.000 1.072 6 L HN 0.141 nan 8.230 nan 0.000 0.468 7 L N 1.059 122.444 121.223 0.271 0.000 2.265 7 L HA 0.484 4.824 4.340 -0.001 0.000 0.289 7 L C -0.643 176.310 176.870 0.139 0.000 1.033 7 L CA -0.131 54.843 54.840 0.224 0.000 0.814 7 L CB 1.367 43.503 42.059 0.128 0.000 1.203 7 L HN -0.321 nan 8.230 nan 0.000 0.423 8 V N 5.369 125.343 119.914 0.100 0.000 2.656 8 V HA 0.502 4.622 4.120 -0.001 0.000 0.307 8 V C -0.190 175.810 176.094 -0.156 0.000 1.051 8 V CA -0.873 61.319 62.300 -0.180 0.000 0.893 8 V CB 1.996 33.418 31.823 -0.668 0.000 0.999 8 V HN 0.746 nan 8.190 nan 0.000 0.426 9 N N 2.261 120.802 118.700 -0.265 0.000 2.456 9 N HA 0.624 5.364 4.740 -0.001 0.000 0.288 9 N C -0.370 174.823 175.510 -0.529 0.000 1.059 9 N CA 0.005 52.869 53.050 -0.310 0.000 0.946 9 N CB 2.119 40.407 38.487 -0.331 0.000 1.150 9 N HN 0.926 nan 8.380 nan 0.000 0.479 10 T N -1.600 112.710 114.554 -0.408 0.000 2.865 10 T HA 0.369 4.719 4.350 -0.001 0.000 0.294 10 T C 0.790 175.256 174.700 -0.390 0.000 1.119 10 T CA -0.790 61.072 62.100 -0.396 0.000 1.007 10 T CB 1.557 70.436 68.868 0.020 0.000 1.225 10 T HN 0.317 nan 8.240 nan 0.000 0.515 11 K N 0.358 120.598 120.400 -0.267 0.000 2.519 11 K HA 0.039 4.359 4.320 -0.001 0.000 0.196 11 K C 1.688 178.140 176.600 -0.248 0.000 1.041 11 K CA 0.663 56.820 56.287 -0.217 0.000 0.954 11 K CB -0.092 32.344 32.500 -0.106 0.000 0.774 11 K HN 0.392 nan 8.250 nan 0.000 0.480 12 S N -0.468 115.050 115.700 -0.304 0.000 2.497 12 S HA 0.191 4.661 4.470 -0.001 0.000 0.218 12 S C 0.472 174.346 174.600 -1.211 0.000 1.023 12 S CA 0.363 58.255 58.200 -0.515 0.000 0.913 12 S CB 0.867 63.966 63.200 -0.168 0.000 0.800 12 S HN 0.558 nan 8.310 nan 0.000 0.505 13 G N 0.695 108.934 108.800 -0.935 0.000 2.356 13 G HA2 0.248 4.207 3.960 -0.001 0.000 0.300 13 G HA3 0.248 4.207 3.960 -0.001 0.000 0.300 13 G C -1.858 172.935 174.900 -0.179 0.000 1.331 13 G CA -1.066 43.467 45.100 -0.945 0.000 0.905 13 G HN 0.070 nan 8.290 nan 0.000 0.587 14 K N -0.662 119.812 120.400 0.122 0.000 2.270 14 K HA 0.605 4.925 4.320 -0.001 0.000 0.276 14 K C -0.326 176.607 176.600 0.556 0.000 1.023 14 K CA -0.261 56.180 56.287 0.256 0.000 0.955 14 K CB 1.604 34.219 32.500 0.192 0.000 0.975 14 K HN 0.352 nan 8.250 nan 0.000 0.471 15 V N 4.241 124.426 119.914 0.451 0.000 2.531 15 V HA 0.289 4.408 4.120 -0.001 0.000 0.301 15 V C -0.871 175.537 176.094 0.525 0.000 1.034 15 V CA -0.867 61.781 62.300 0.579 0.000 0.865 15 V CB 1.624 33.841 31.823 0.657 0.000 0.995 15 V HN 0.715 nan 8.190 nan 0.000 0.424 16 M N 5.151 125.015 119.600 0.440 0.000 2.055 16 M HA 0.670 5.150 4.480 -0.001 0.000 0.347 16 M C 0.395 176.812 176.300 0.195 0.000 1.123 16 M CA 0.054 55.528 55.300 0.291 0.000 1.035 16 M CB 0.484 33.177 32.600 0.156 0.000 1.484 16 M HN 0.714 nan 8.290 nan 0.000 0.428 17 G N 1.931 110.737 108.800 0.011 0.000 2.531 17 G HA2 0.610 4.570 3.960 -0.001 0.000 0.253 17 G HA3 0.610 4.570 3.960 -0.001 0.000 0.253 17 G C -0.952 173.697 174.900 -0.417 0.000 1.439 17 G CA -0.334 44.361 45.100 -0.674 0.000 1.056 17 G HN 0.644 nan 8.290 nan 0.000 0.555 18 T N -1.746 112.510 114.554 -0.496 0.000 2.894 18 T HA 0.508 4.858 4.350 -0.001 0.000 0.309 18 T C -0.792 173.771 174.700 -0.229 0.000 1.208 18 T CA -0.720 61.217 62.100 -0.272 0.000 1.016 18 T CB 1.500 70.241 68.868 -0.212 0.000 1.192 18 T HN 0.707 nan 8.240 nan 0.000 0.491 19 R N 3.000 123.423 120.500 -0.129 0.000 2.221 19 R HA 0.658 4.998 4.340 -0.001 0.000 0.327 19 R C -0.430 175.837 176.300 -0.055 0.000 1.033 19 R CA -0.539 55.519 56.100 -0.070 0.000 0.887 19 R CB 0.408 30.687 30.300 -0.035 0.000 1.057 19 R HN 0.485 nan 8.270 nan 0.000 0.455 20 V N 2.089 121.987 119.914 -0.027 0.000 2.581 20 V HA 0.729 4.849 4.120 -0.001 0.000 0.303 20 V C -2.599 173.477 176.094 -0.030 0.000 1.041 20 V CA -2.880 59.408 62.300 -0.021 0.000 0.907 20 V CB 1.569 33.405 31.823 0.021 0.000 0.994 20 V HN 0.794 nan 8.190 nan 0.000 0.442 21 P HA 0.468 nan 4.420 nan 0.000 0.286 21 P C -0.904 176.302 177.300 -0.156 0.000 1.269 21 P CA -0.299 62.747 63.100 -0.089 0.000 0.787 21 P CB 1.495 33.156 31.700 -0.066 0.000 0.920 22 V N 4.453 124.217 119.914 -0.250 0.000 2.483 22 V HA 0.288 4.408 4.120 -0.001 0.000 0.297 22 V C 1.305 177.170 176.094 -0.381 0.000 1.027 22 V CA -0.803 61.264 62.300 -0.387 0.000 0.855 22 V CB 0.826 32.306 31.823 -0.571 0.000 0.995 22 V HN 0.588 nan 8.190 nan 0.000 0.424 23 L N 2.740 123.861 121.223 -0.170 0.000 5.352 23 L HA -0.306 4.033 4.340 -0.001 0.000 0.053 23 L C 1.500 178.295 176.870 -0.125 0.000 2.872 23 L CA 1.890 56.665 54.840 -0.109 0.000 1.575 23 L CB -1.464 40.518 42.059 -0.128 0.000 2.871 23 L HN 0.934 nan 8.230 nan 0.000 0.934 24 S N -1.408 114.212 115.700 -0.134 0.000 2.537 24 S HA 0.501 4.970 4.470 -0.001 0.000 0.246 24 S C -0.127 174.425 174.600 -0.080 0.000 1.036 24 S CA 0.275 58.430 58.200 -0.075 0.000 1.041 24 S CB 1.063 64.251 63.200 -0.020 0.000 0.799 24 S HN 0.625 nan 8.310 nan 0.000 0.456 25 S N -0.116 115.478 115.700 -0.177 0.000 3.287 25 S HA 0.654 5.124 4.470 -0.001 0.000 0.324 25 S C -1.207 173.318 174.600 -0.125 0.000 1.205 25 S CA -0.363 57.777 58.200 -0.101 0.000 1.020 25 S CB 0.983 64.199 63.200 0.026 0.000 1.398 25 S HN 0.485 nan 8.310 nan 0.000 0.679 26 H N -0.883 118.181 119.070 -0.010 0.000 2.960 26 H HA 0.852 5.407 4.556 -0.001 0.000 0.338 26 H C -0.737 174.671 175.328 0.134 0.000 1.261 26 H CA -0.235 55.822 56.048 0.015 0.000 1.136 26 H CB 1.426 31.208 29.762 0.033 0.000 1.875 26 H HN 0.826 nan 8.280 nan 0.000 0.550 27 I N -2.183 118.459 120.570 0.120 0.000 3.066 27 I HA 0.700 4.870 4.170 -0.001 0.000 0.307 27 I C -0.852 175.348 176.117 0.138 0.000 1.366 27 I CA -0.988 60.425 61.300 0.189 0.000 0.972 27 I CB 2.317 40.472 38.000 0.258 0.000 1.307 27 I HN 0.485 nan 8.210 nan 0.000 0.470 28 S N 1.659 117.462 115.700 0.173 0.000 2.585 28 S HA 0.826 5.296 4.470 -0.001 0.000 0.277 28 S C -0.205 174.416 174.600 0.035 0.000 1.241 28 S CA -0.462 57.791 58.200 0.089 0.000 1.041 28 S CB 1.517 64.860 63.200 0.237 0.000 0.987 28 S HN 0.875 nan 8.310 nan 0.000 0.512 29 A N 2.145 124.807 122.820 -0.264 0.000 2.381 29 A HA 0.743 5.063 4.320 -0.001 0.000 0.299 29 A C -1.354 175.854 177.584 -0.626 0.000 1.049 29 A CA -0.606 51.191 52.037 -0.400 0.000 0.715 29 A CB 0.438 19.217 19.000 -0.368 0.000 1.222 29 A HN 0.657 nan 8.150 nan 0.000 0.428 30 F N 2.984 122.778 119.950 -0.260 0.000 2.359 30 F HA 0.528 5.055 4.527 -0.001 0.000 0.369 30 F C -0.297 175.353 175.800 -0.251 0.000 1.084 30 F CA -0.337 57.588 58.000 -0.125 0.000 1.096 30 F CB 1.264 40.280 39.000 0.027 0.000 1.335 30 F HN 0.380 nan 8.300 nan 0.000 0.457 31 L N 1.546 122.688 121.223 -0.134 0.000 2.346 31 L HA 0.843 5.182 4.340 -0.001 0.000 0.274 31 L C 0.826 177.700 176.870 0.007 0.000 1.007 31 L CA -1.061 53.695 54.840 -0.139 0.000 0.818 31 L CB 1.794 43.666 42.059 -0.312 0.000 1.284 31 L HN 0.709 nan 8.230 nan 0.000 0.424 32 G N 2.220 111.055 108.800 0.058 0.000 2.182 32 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.248 32 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.248 32 G C -0.082 174.921 174.900 0.171 0.000 1.042 32 G CA -0.353 44.782 45.100 0.058 0.000 0.775 32 G HN 0.475 nan 8.290 nan 0.000 0.501 33 I N 1.968 122.555 120.570 0.029 0.000 2.416 33 I HA 0.242 4.411 4.170 -0.001 0.000 0.288 33 I C -1.449 174.452 176.117 -0.361 0.000 1.051 33 I CA -2.108 59.034 61.300 -0.263 0.000 1.375 33 I CB 0.948 38.767 38.000 -0.303 0.000 1.407 33 I HN -0.035 nan 8.210 nan 0.000 0.516 34 P HA 0.052 nan 4.420 nan 0.000 0.276 34 P C -0.303 176.631 177.300 -0.610 0.000 1.230 34 P CA -0.007 62.598 63.100 -0.826 0.000 0.776 34 P CB 0.604 31.757 31.700 -0.913 0.000 0.888 35 F N 0.640 120.282 119.950 -0.513 0.000 2.746 35 F HA 0.750 5.277 4.527 -0.001 0.000 0.320 35 F C 0.019 175.743 175.800 -0.127 0.000 1.097 35 F CA -1.132 56.641 58.000 -0.379 0.000 1.195 35 F CB -0.111 38.666 39.000 -0.371 0.000 1.056 35 F HN 0.393 nan 8.300 nan 0.000 0.562 36 A N -0.145 122.515 122.820 -0.267 0.000 2.602 36 A HA 0.592 4.911 4.320 -0.001 0.000 0.290 36 A C -1.051 176.409 177.584 -0.207 0.000 1.114 36 A CA -0.799 51.176 52.037 -0.104 0.000 0.683 36 A CB 0.944 19.939 19.000 -0.010 0.000 1.281 36 A HN 0.047 nan 8.150 nan 0.000 0.416 37 E N 1.252 121.400 120.200 -0.088 0.000 2.338 37 E HA 0.327 4.676 4.350 -0.001 0.000 0.272 37 E C -2.354 174.174 176.600 -0.119 0.000 1.029 37 E CA -1.454 54.898 56.400 -0.080 0.000 0.872 37 E CB 0.409 30.100 29.700 -0.015 0.000 1.015 37 E HN 0.246 nan 8.360 nan 0.000 0.417 38 P HA -0.020 nan 4.420 nan 0.000 0.258 38 P C -2.162 175.092 177.300 -0.078 0.000 1.172 38 P CA -0.746 62.289 63.100 -0.108 0.000 0.762 38 P CB -0.122 31.547 31.700 -0.052 0.000 0.764 39 P HA -0.006 nan 4.420 nan 0.000 0.254 39 P C -0.027 177.222 177.300 -0.084 0.000 1.631 39 P CA 0.092 63.150 63.100 -0.071 0.000 0.861 39 P CB -0.207 31.455 31.700 -0.063 0.000 1.663 40 V N -3.616 116.254 119.914 -0.073 0.000 2.997 40 V HA 0.866 4.986 4.120 -0.001 0.000 0.311 40 V C 0.884 176.939 176.094 -0.065 0.000 1.066 40 V CA 0.164 62.419 62.300 -0.075 0.000 1.039 40 V CB 0.411 32.200 31.823 -0.057 0.000 1.081 40 V HN 0.507 nan 8.190 nan 0.000 0.467 41 G N 1.630 110.388 108.800 -0.069 0.000 2.498 41 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.245 41 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.245 41 G C 0.651 175.510 174.900 -0.068 0.000 1.204 41 G CA 0.825 45.891 45.100 -0.057 0.000 0.933 41 G HN 1.984 nan 8.290 nan 0.000 0.574 42 N N -0.161 118.514 118.700 -0.041 0.000 2.571 42 N HA 0.232 4.971 4.740 -0.001 0.000 0.189 42 N C 2.101 177.602 175.510 -0.015 0.000 1.154 42 N CA 1.989 55.024 53.050 -0.024 0.000 0.907 42 N CB -0.361 38.128 38.487 0.003 0.000 0.977 42 N HN 0.585 nan 8.380 nan 0.000 0.449 43 M N -0.245 119.334 119.600 -0.035 0.000 2.506 43 M HA 0.071 4.551 4.480 -0.001 0.000 0.260 43 M C 1.172 177.432 176.300 -0.067 0.000 1.104 43 M CA 0.096 55.379 55.300 -0.029 0.000 1.112 43 M CB -0.386 32.197 32.600 -0.029 0.000 1.401 43 M HN 0.397 nan 8.290 nan 0.000 0.473 44 R N 0.723 121.128 120.500 -0.159 0.000 2.537 44 R HA -0.117 4.223 4.340 -0.001 0.000 0.281 44 R C -0.274 175.826 176.300 -0.333 0.000 0.988 44 R CA 0.678 56.552 56.100 -0.377 0.000 1.077 44 R CB 0.142 30.055 30.300 -0.644 0.000 0.932 44 R HN 0.208 nan 8.270 nan 0.000 0.409 45 F N -0.649 119.310 119.950 0.014 0.000 2.590 45 F HA -0.310 4.217 4.527 -0.001 0.000 0.471 45 F C 0.671 176.456 175.800 -0.025 0.000 0.551 45 F CA 1.054 59.038 58.000 -0.027 0.000 1.228 45 F CB -1.411 37.560 39.000 -0.048 0.000 1.862 45 F HN 0.633 nan 8.300 nan 0.000 0.271 46 R N 1.626 122.199 120.500 0.122 0.000 2.637 46 R HA 0.415 4.754 4.340 -0.001 0.000 0.269 46 R C 0.765 177.096 176.300 0.052 0.000 1.089 46 R CA -0.741 55.406 56.100 0.078 0.000 1.177 46 R CB 0.484 30.814 30.300 0.051 0.000 1.091 46 R HN 0.140 nan 8.270 nan 0.000 0.540 47 R N 1.881 122.410 120.500 0.047 0.000 2.734 47 R HA 0.083 4.423 4.340 -0.001 0.000 0.266 47 R C -1.941 174.387 176.300 0.046 0.000 1.044 47 R CA -1.252 54.875 56.100 0.045 0.000 1.128 47 R CB -0.264 30.066 30.300 0.050 0.000 1.010 47 R HN 0.407 nan 8.270 nan 0.000 0.461 48 P HA 0.009 nan 4.420 nan 0.000 0.268 48 P C -0.846 176.496 177.300 0.071 0.000 1.205 48 P CA 0.311 63.455 63.100 0.073 0.000 0.771 48 P CB 0.661 32.437 31.700 0.127 0.000 0.858 49 E N 3.242 123.475 120.200 0.056 0.000 2.191 49 E HA 0.367 4.716 4.350 -0.001 0.000 0.274 49 E C -2.305 174.340 176.600 0.074 0.000 0.948 49 E CA -2.565 53.868 56.400 0.055 0.000 0.802 49 E CB 1.111 30.832 29.700 0.035 0.000 1.137 49 E HN 0.322 nan 8.360 nan 0.000 0.397 50 P HA 0.003 nan 4.420 nan 0.000 0.271 50 P C -0.906 176.460 177.300 0.109 0.000 1.216 50 P CA -0.312 62.861 63.100 0.122 0.000 0.771 50 P CB 0.412 32.179 31.700 0.112 0.000 0.864 51 K N 4.475 124.958 120.400 0.138 0.000 2.419 51 K HA 0.012 4.332 4.320 -0.001 0.000 0.282 51 K C 0.036 176.739 176.600 0.171 0.000 1.056 51 K CA 0.320 56.686 56.287 0.131 0.000 1.035 51 K CB -0.277 32.315 32.500 0.152 0.000 0.921 51 K HN 0.261 nan 8.250 nan 0.000 0.472 52 K N 6.179 126.667 120.400 0.146 0.000 2.448 52 K HA 0.103 4.423 4.320 -0.001 0.000 0.278 52 K C -2.144 174.570 176.600 0.190 0.000 1.009 52 K CA -1.544 54.824 56.287 0.135 0.000 0.995 52 K CB -0.157 32.411 32.500 0.113 0.000 0.917 52 K HN 0.482 nan 8.250 nan 0.000 0.481 53 P HA -0.080 nan 4.420 nan 0.000 0.269 53 P C -0.917 176.458 177.300 0.124 0.000 1.211 53 P CA 0.146 63.210 63.100 -0.060 0.000 0.781 53 P CB 0.226 31.841 31.700 -0.141 0.000 0.877 54 W N -0.213 121.156 121.300 0.115 0.000 2.894 54 W HA 0.781 5.441 4.660 -0.001 0.000 0.345 54 W C -0.899 175.697 176.519 0.128 0.000 1.152 54 W CA -0.932 56.505 57.345 0.153 0.000 1.089 54 W CB 0.441 30.063 29.460 0.270 0.000 1.454 54 W HN 0.129 nan 8.180 nan 0.000 0.589 55 S N 0.474 116.411 115.700 0.396 0.000 2.503 55 S HA 0.759 5.229 4.470 -0.001 0.000 0.301 55 S C 0.027 174.812 174.600 0.309 0.000 1.087 55 S CA 0.398 58.743 58.200 0.242 0.000 1.042 55 S CB 0.632 63.919 63.200 0.145 0.000 1.043 55 S HN 1.702 nan 8.310 nan 0.000 0.489 56 G N 1.341 110.282 108.800 0.235 0.000 2.757 56 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.638 56 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.638 56 G C -0.965 174.126 174.900 0.318 0.000 1.344 56 G CA -0.507 44.719 45.100 0.209 0.000 0.855 56 G HN 1.182 nan 8.290 nan 0.000 0.537 57 V N 0.753 120.807 119.914 0.233 0.000 2.498 57 V HA 0.483 4.603 4.120 -0.001 0.000 0.279 57 V C 0.765 177.015 176.094 0.260 0.000 1.048 57 V CA -0.526 61.947 62.300 0.290 0.000 0.967 57 V CB 1.579 33.516 31.823 0.190 0.000 0.988 57 V HN 0.723 nan 8.190 nan 0.000 0.473 58 W N 4.882 126.299 121.300 0.196 0.000 2.287 58 W HA 0.265 4.925 4.660 -0.001 0.000 0.313 58 W C 0.090 176.618 176.519 0.016 0.000 1.267 58 W CA -0.502 56.815 57.345 -0.048 0.000 1.201 58 W CB 1.029 30.312 29.460 -0.294 0.000 1.196 58 W HN 0.652 nan 8.180 nan 0.000 0.536 59 N N 4.619 123.102 118.700 -0.361 0.000 2.439 59 N HA 0.235 4.975 4.740 -0.001 0.000 0.243 59 N C -0.578 174.943 175.510 0.017 0.000 1.088 59 N CA 0.062 53.030 53.050 -0.136 0.000 0.940 59 N CB 0.815 39.158 38.487 -0.239 0.000 1.180 59 N HN 0.367 nan 8.380 nan 0.000 0.505 60 A N 2.789 125.717 122.820 0.181 0.000 3.293 60 A HA 0.245 4.565 4.320 -0.001 0.000 0.282 60 A C 0.875 178.431 177.584 -0.048 0.000 1.394 60 A CA -0.445 51.689 52.037 0.163 0.000 1.118 60 A CB -0.527 18.662 19.000 0.315 0.000 1.133 60 A HN 0.623 nan 8.150 nan 0.000 0.627 61 S N -1.062 114.581 115.700 -0.096 0.000 2.540 61 S HA 0.193 4.663 4.470 -0.001 0.000 0.222 61 S C 0.617 175.107 174.600 -0.185 0.000 1.008 61 S CA 0.484 58.587 58.200 -0.161 0.000 0.939 61 S CB -0.140 62.980 63.200 -0.134 0.000 0.865 61 S HN 0.872 nan 8.310 nan 0.000 0.499 62 T N -0.538 113.919 114.554 -0.162 0.000 2.912 62 T HA 0.638 4.987 4.350 -0.001 0.000 0.299 62 T C -0.832 173.798 174.700 -0.117 0.000 1.052 62 T CA -0.694 61.309 62.100 -0.163 0.000 0.996 62 T CB 0.774 69.578 68.868 -0.107 0.000 1.070 62 T HN 0.059 nan 8.240 nan 0.000 0.465 63 Y N 3.313 123.576 120.300 -0.062 0.000 2.788 63 Y HA 0.264 4.814 4.550 -0.001 0.000 0.341 63 Y C -1.345 174.485 175.900 -0.117 0.000 1.258 63 Y CA -1.034 57.031 58.100 -0.058 0.000 1.503 63 Y CB -0.001 38.451 38.460 -0.012 0.000 1.325 63 Y HN 0.565 nan 8.280 nan 0.000 0.614 64 P HA 0.096 nan 4.420 nan 0.000 0.293 64 P C -0.588 176.639 177.300 -0.122 0.000 1.304 64 P CA -0.506 62.465 63.100 -0.215 0.000 0.767 64 P CB 0.815 32.253 31.700 -0.438 0.000 1.247 65 N N -0.097 118.503 118.700 -0.166 0.000 2.326 65 N HA 0.114 4.853 4.740 -0.001 0.000 0.239 65 N C 0.057 175.546 175.510 -0.035 0.000 1.301 65 N CA 0.200 53.203 53.050 -0.078 0.000 0.909 65 N CB -0.173 38.276 38.487 -0.062 0.000 1.156 65 N HN 0.424 nan 8.380 nan 0.000 0.462 66 N N -0.899 117.776 118.700 -0.043 0.000 2.430 66 N HA 0.329 5.068 4.740 -0.001 0.000 0.298 66 N C -0.685 174.796 175.510 -0.047 0.000 1.130 66 N CA -0.714 52.310 53.050 -0.044 0.000 0.894 66 N CB 1.303 39.743 38.487 -0.078 0.000 1.209 66 N HN 0.378 nan 8.380 nan 0.000 0.503 67 c N 1.639 120.215 118.600 -0.041 0.000 2.644 67 c HA 0.060 4.630 4.570 -0.001 0.000 0.417 67 c C 0.702 174.732 174.090 -0.099 0.000 1.304 67 c CA -0.702 55.586 56.329 -0.068 0.000 2.035 67 c CB -0.239 42.263 42.510 -0.014 0.000 2.673 67 c HN 0.538 nan 8.230 nan 0.000 0.602 68 Q N 2.846 122.509 119.800 -0.229 0.000 2.310 68 Q HA 0.104 4.444 4.340 -0.001 0.000 0.315 68 Q C -0.046 175.964 176.000 0.016 0.000 1.081 68 Q CA 1.265 56.931 55.803 -0.229 0.000 0.981 68 Q CB 0.106 28.436 28.738 -0.681 0.000 1.184 68 Q HN 0.930 nan 8.270 nan 0.000 0.389 69 Q N 0.851 120.733 119.800 0.136 0.000 2.721 69 Q HA 0.243 4.583 4.340 -0.001 0.000 0.282 69 Q C -1.394 174.799 176.000 0.321 0.000 0.932 69 Q CA -0.980 54.989 55.803 0.276 0.000 0.816 69 Q CB 0.403 29.256 28.738 0.192 0.000 1.506 69 Q HN 0.481 nan 8.270 nan 0.000 0.399 70 Y N 1.535 122.049 120.300 0.356 0.000 2.721 70 Y HA 0.299 4.849 4.550 -0.001 0.000 0.329 70 Y C -0.880 175.216 175.900 0.326 0.000 1.211 70 Y CA 0.314 58.646 58.100 0.388 0.000 1.512 70 Y CB 0.665 39.467 38.460 0.568 0.000 1.249 70 Y HN 0.461 nan 8.280 nan 0.000 0.549 71 V N 6.543 126.212 119.914 -0.408 0.000 2.539 71 V HA 0.098 4.218 4.120 -0.001 0.000 0.292 71 V C -0.280 175.491 176.094 -0.538 0.000 1.045 71 V CA -0.886 61.240 62.300 -0.290 0.000 0.945 71 V CB 1.509 33.247 31.823 -0.141 0.000 0.993 71 V HN 0.713 nan 8.190 nan 0.000 0.464 72 D N 3.187 123.530 120.400 -0.095 0.000 2.352 72 D HA 0.165 4.805 4.640 -0.001 0.000 0.245 72 D C 0.703 177.046 176.300 0.071 0.000 1.224 72 D CA -0.008 54.051 54.000 0.098 0.000 0.879 72 D CB 0.897 41.922 40.800 0.374 0.000 1.057 72 D HN 0.561 nan 8.370 nan 0.000 0.491 73 E N 2.842 123.045 120.200 0.006 0.000 2.498 73 E HA -0.038 4.312 4.350 -0.001 0.000 0.203 73 E C 1.239 177.813 176.600 -0.042 0.000 1.013 73 E CA -0.123 56.277 56.400 -0.001 0.000 0.927 73 E CB 0.558 30.239 29.700 -0.033 0.000 1.012 73 E HN 0.563 nan 8.360 nan 0.000 0.482 74 Q N -0.207 119.535 119.800 -0.097 0.000 2.112 74 Q HA -0.113 4.227 4.340 -0.001 0.000 0.206 74 Q C 0.089 175.670 176.000 -0.698 0.000 0.987 74 Q CA 1.200 56.704 55.803 -0.499 0.000 0.858 74 Q CB 0.060 28.310 28.738 -0.812 0.000 0.905 74 Q HN 0.207 nan 8.270 nan 0.000 0.420 75 F N 0.140 120.159 119.950 0.115 0.000 2.523 75 F HA 0.350 4.877 4.527 -0.001 0.000 0.322 75 F C -2.130 173.747 175.800 0.128 0.000 1.361 75 F CA -2.800 55.262 58.000 0.102 0.000 1.151 75 F CB 0.848 39.951 39.000 0.172 0.000 1.391 75 F HN -0.161 nan 8.300 nan 0.000 0.566 76 P HA 0.068 nan 4.420 nan 0.000 0.259 76 P C 1.099 178.482 177.300 0.138 0.000 1.163 76 P CA 1.560 64.734 63.100 0.124 0.000 0.760 76 P CB 0.575 32.312 31.700 0.063 0.000 0.762 77 G N 3.040 111.906 108.800 0.111 0.000 2.267 77 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.257 77 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.257 77 G C 0.131 175.096 174.900 0.107 0.000 0.998 77 G CA -0.267 44.880 45.100 0.078 0.000 0.620 77 G HN 0.557 nan 8.290 nan 0.000 0.529 78 F N 3.790 123.735 119.950 -0.007 0.000 2.506 78 F HA 0.448 4.975 4.527 -0.001 0.000 0.369 78 F C 1.755 177.489 175.800 -0.110 0.000 1.114 78 F CA -0.115 57.824 58.000 -0.102 0.000 1.121 78 F CB 0.573 39.487 39.000 -0.143 0.000 1.104 78 F HN 0.325 nan 8.300 nan 0.000 0.564 79 S N 3.856 119.226 115.700 -0.551 0.000 2.359 79 S HA -0.173 4.297 4.470 -0.001 0.000 0.224 79 S C 2.341 176.510 174.600 -0.719 0.000 1.035 79 S CA 1.075 58.965 58.200 -0.517 0.000 1.018 79 S CB -1.486 61.481 63.200 -0.389 0.000 0.876 79 S HN 0.809 nan 8.310 nan 0.000 0.448 80 G N 1.236 109.172 108.800 -1.439 0.000 2.581 80 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.223 80 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.223 80 G C 1.606 176.569 174.900 0.104 0.000 1.094 80 G CA 1.581 46.075 45.100 -1.010 0.000 0.736 80 G HN 0.908 nan 8.290 nan 0.000 0.588 81 S N -1.106 114.634 115.700 0.066 0.000 2.613 81 S HA 0.133 4.603 4.470 -0.001 0.000 0.235 81 S C 1.751 176.605 174.600 0.423 0.000 1.073 81 S CA 0.543 59.170 58.200 0.711 0.000 0.899 81 S CB 0.031 63.812 63.200 0.968 0.000 0.818 81 S HN 0.346 nan 8.310 nan 0.000 0.484 82 E N 2.413 122.692 120.200 0.133 0.000 2.274 82 E HA -0.083 4.267 4.350 -0.001 0.000 0.194 82 E C 2.058 178.607 176.600 -0.085 0.000 0.996 82 E CA 1.309 57.737 56.400 0.047 0.000 0.840 82 E CB -0.514 29.180 29.700 -0.009 0.000 0.772 82 E HN 0.875 nan 8.360 nan 0.000 0.491 83 M N -1.826 117.628 119.600 -0.243 0.000 2.435 83 M HA -0.083 4.396 4.480 -0.001 0.000 0.262 83 M C 1.164 177.052 176.300 -0.686 0.000 1.065 83 M CA 1.502 56.491 55.300 -0.518 0.000 1.076 83 M CB -0.482 31.696 32.600 -0.702 0.000 1.403 83 M HN 0.008 nan 8.290 nan 0.000 0.454 84 W N 0.640 121.873 121.300 -0.111 0.000 3.107 84 W HA 0.303 4.962 4.660 -0.001 0.000 0.293 84 W C 0.462 176.909 176.519 -0.121 0.000 1.239 84 W CA -0.847 56.403 57.345 -0.157 0.000 1.653 84 W CB -0.166 29.234 29.460 -0.101 0.000 1.068 84 W HN 0.076 nan 8.180 nan 0.000 0.615 85 N N 1.991 120.745 118.700 0.089 0.000 2.482 85 N HA 0.098 4.837 4.740 -0.001 0.000 0.260 85 N C -2.467 173.017 175.510 -0.044 0.000 1.236 85 N CA -1.241 51.836 53.050 0.045 0.000 0.938 85 N CB -0.082 38.431 38.487 0.043 0.000 1.128 85 N HN -0.330 nan 8.380 nan 0.000 0.448 86 P HA 0.042 nan 4.420 nan 0.000 0.263 86 P C 0.119 177.369 177.300 -0.084 0.000 1.195 86 P CA -0.012 63.039 63.100 -0.081 0.000 0.762 86 P CB 0.163 31.826 31.700 -0.062 0.000 0.799 87 N N 2.630 121.265 118.700 -0.109 0.000 2.235 87 N HA 0.054 4.793 4.740 -0.001 0.000 0.209 87 N C 0.283 175.751 175.510 -0.069 0.000 1.122 87 N CA 0.066 53.060 53.050 -0.094 0.000 0.845 87 N CB 0.270 38.687 38.487 -0.118 0.000 1.004 87 N HN 0.196 nan 8.380 nan 0.000 0.499 88 R N -0.567 119.892 120.500 -0.069 0.000 2.905 88 R HA 0.275 4.614 4.340 -0.001 0.000 0.260 88 R C -0.930 175.341 176.300 -0.049 0.000 1.086 88 R CA -0.671 55.398 56.100 -0.051 0.000 0.978 88 R CB 0.851 31.118 30.300 -0.055 0.000 1.215 88 R HN 0.149 nan 8.270 nan 0.000 0.480 89 E N 1.315 121.488 120.200 -0.044 0.000 2.384 89 E HA 0.120 4.470 4.350 -0.001 0.000 0.266 89 E C -0.068 176.501 176.600 -0.050 0.000 1.012 89 E CA 0.044 56.418 56.400 -0.044 0.000 0.901 89 E CB 0.474 30.149 29.700 -0.043 0.000 0.967 89 E HN 0.353 nan 8.360 nan 0.000 0.435 90 M N 3.005 122.575 119.600 -0.050 0.000 2.247 90 M HA 0.393 4.872 4.480 -0.001 0.000 0.326 90 M C 0.147 176.402 176.300 -0.075 0.000 1.134 90 M CA 0.138 55.400 55.300 -0.063 0.000 1.136 90 M CB 1.623 34.188 32.600 -0.059 0.000 1.454 90 M HN 0.619 nan 8.290 nan 0.000 0.467 91 S N -0.217 115.424 115.700 -0.100 0.000 2.580 91 S HA 0.169 4.638 4.470 -0.001 0.000 0.281 91 S C -0.066 174.445 174.600 -0.148 0.000 1.129 91 S CA -0.703 57.433 58.200 -0.106 0.000 0.862 91 S CB 1.161 64.326 63.200 -0.058 0.000 1.090 91 S HN 0.839 nan 8.310 nan 0.000 0.451 92 E N 1.074 121.164 120.200 -0.183 0.000 2.268 92 E HA -0.100 4.249 4.350 -0.001 0.000 0.195 92 E C -0.108 176.425 176.600 -0.112 0.000 0.995 92 E CA 0.583 56.854 56.400 -0.215 0.000 0.836 92 E CB 0.073 29.641 29.700 -0.220 0.000 0.763 92 E HN 0.525 nan 8.360 nan 0.000 0.491 93 D N 0.540 120.908 120.400 -0.053 0.000 2.551 93 D HA -0.021 4.619 4.640 -0.001 0.000 0.223 93 D C 0.151 176.529 176.300 0.131 0.000 1.144 93 D CA -0.183 53.831 54.000 0.023 0.000 1.025 93 D CB -0.248 40.590 40.800 0.063 0.000 1.085 93 D HN 0.160 nan 8.370 nan 0.000 0.506 94 c N 1.670 120.309 118.600 0.066 0.000 3.785 94 c HA 0.386 4.956 4.570 -0.001 0.000 0.312 94 c C 0.814 174.953 174.090 0.083 0.000 1.566 94 c CA -0.682 55.741 56.329 0.157 0.000 1.837 94 c CB -1.292 41.246 42.510 0.047 0.000 2.826 94 c HN 0.369 nan 8.230 nan 0.000 0.667 95 L N 2.489 123.541 121.223 -0.287 0.000 2.415 95 L HA 0.362 4.702 4.340 -0.001 0.000 0.269 95 L C -0.774 175.317 176.870 -1.299 0.000 1.244 95 L CA 0.587 55.011 54.840 -0.693 0.000 1.113 95 L CB -0.801 40.804 42.059 -0.757 0.000 1.352 95 L HN 0.372 nan 8.230 nan 0.000 0.433 96 Y N 2.184 122.201 120.300 -0.472 0.000 2.605 96 Y HA 0.691 5.240 4.550 -0.001 0.000 0.343 96 Y C -0.063 175.871 175.900 0.058 0.000 1.036 96 Y CA -1.176 56.736 58.100 -0.313 0.000 1.065 96 Y CB 2.075 40.447 38.460 -0.147 0.000 1.288 96 Y HN 0.242 nan 8.280 nan 0.000 0.481 97 L N -0.062 121.291 121.223 0.216 0.000 2.350 97 L HA 0.780 5.119 4.340 -0.001 0.000 0.260 97 L C -1.537 175.389 176.870 0.093 0.000 1.015 97 L CA -0.896 54.075 54.840 0.217 0.000 0.821 97 L CB 2.269 44.441 42.059 0.189 0.000 1.370 97 L HN 0.499 nan 8.230 nan 0.000 0.416 98 N N 1.991 120.752 118.700 0.103 0.000 2.258 98 N HA 0.699 5.438 4.740 -0.001 0.000 0.299 98 N C -1.461 173.981 175.510 -0.113 0.000 1.047 98 N CA -0.185 52.823 53.050 -0.069 0.000 0.814 98 N CB 2.725 41.148 38.487 -0.107 0.000 1.413 98 N HN 0.574 nan 8.380 nan 0.000 0.478 99 I N 0.706 121.121 120.570 -0.259 0.000 2.465 99 I HA 0.397 4.567 4.170 -0.001 0.000 0.291 99 I C -0.612 175.412 176.117 -0.156 0.000 1.014 99 I CA -0.545 60.690 61.300 -0.108 0.000 1.093 99 I CB 1.986 39.853 38.000 -0.222 0.000 1.267 99 I HN 0.261 nan 8.210 nan 0.000 0.431 100 W N 5.786 127.199 121.300 0.189 0.000 2.429 100 W HA 0.653 5.313 4.660 -0.001 0.000 0.314 100 W C -1.102 175.540 176.519 0.205 0.000 1.062 100 W CA -0.697 56.760 57.345 0.187 0.000 1.211 100 W CB 1.996 31.548 29.460 0.153 0.000 1.305 100 W HN 0.078 nan 8.180 nan 0.000 0.476 101 V N 5.162 125.318 119.914 0.403 0.000 2.531 101 V HA 0.261 4.380 4.120 -0.001 0.000 0.301 101 V C -1.998 174.270 176.094 0.289 0.000 1.034 101 V CA -2.350 60.157 62.300 0.345 0.000 0.865 101 V CB 1.976 34.047 31.823 0.412 0.000 0.995 101 V HN 0.262 nan 8.190 nan 0.000 0.424 102 P HA 0.054 nan 4.420 nan 0.000 0.267 102 P C -0.430 176.971 177.300 0.168 0.000 1.201 102 P CA 0.285 63.489 63.100 0.174 0.000 0.775 102 P CB 0.482 32.240 31.700 0.096 0.000 0.854 103 S N 2.114 117.909 115.700 0.157 0.000 2.566 103 S HA 0.463 4.933 4.470 -0.001 0.000 0.324 103 S C -2.324 172.336 174.600 0.101 0.000 1.081 103 S CA -1.431 56.852 58.200 0.139 0.000 1.105 103 S CB -0.006 63.284 63.200 0.150 0.000 0.981 103 S HN 0.292 nan 8.310 nan 0.000 0.464 104 P HA 0.174 nan 4.420 nan 0.000 0.275 104 P C -0.404 176.951 177.300 0.091 0.000 1.228 104 P CA -0.599 62.549 63.100 0.081 0.000 0.786 104 P CB 0.457 32.193 31.700 0.060 0.000 0.927 105 R N 3.800 124.367 120.500 0.111 0.000 2.537 105 R HA 0.068 4.408 4.340 -0.001 0.000 0.281 105 R C -1.806 174.548 176.300 0.090 0.000 0.988 105 R CA -0.881 55.295 56.100 0.126 0.000 1.077 105 R CB -0.188 30.196 30.300 0.140 0.000 0.932 105 R HN 0.397 nan 8.270 nan 0.000 0.409 106 P HA 0.039 nan 4.420 nan 0.000 0.273 106 P C -0.527 176.803 177.300 0.049 0.000 1.250 106 P CA -0.220 62.916 63.100 0.060 0.000 0.793 106 P CB 0.696 32.433 31.700 0.061 0.000 1.011 107 K N -0.620 119.797 120.400 0.029 0.000 2.308 107 K HA 0.163 4.482 4.320 -0.001 0.000 0.197 107 K C 0.460 177.062 176.600 0.002 0.000 1.049 107 K CA 0.628 56.924 56.287 0.016 0.000 0.991 107 K CB 0.082 32.587 32.500 0.009 0.000 0.836 107 K HN 0.345 nan 8.250 nan 0.000 0.500 108 S N 0.664 116.365 115.700 0.002 0.000 2.855 108 S HA 0.072 4.541 4.470 -0.001 0.000 0.140 108 S C -0.845 173.751 174.600 -0.007 0.000 1.025 108 S CA -0.315 57.877 58.200 -0.013 0.000 1.053 108 S CB 0.402 63.584 63.200 -0.029 0.000 1.695 108 S HN 0.144 nan 8.310 nan 0.000 0.502 109 T N 1.488 116.049 114.554 0.011 0.000 2.897 109 T HA 0.548 4.897 4.350 -0.001 0.000 0.278 109 T C 0.288 174.994 174.700 0.010 0.000 0.981 109 T CA 0.002 62.109 62.100 0.012 0.000 0.973 109 T CB 0.911 69.796 68.868 0.028 0.000 1.092 109 T HN 0.350 nan 8.240 nan 0.000 0.543 110 T N 2.361 116.916 114.554 0.003 0.000 2.928 110 T HA 0.339 4.688 4.350 -0.001 0.000 0.305 110 T C -0.225 174.492 174.700 0.028 0.000 1.035 110 T CA -0.344 61.755 62.100 -0.001 0.000 1.145 110 T CB 0.310 69.163 68.868 -0.025 0.000 0.963 110 T HN 0.411 nan 8.240 nan 0.000 0.545 111 V N 4.925 124.863 119.914 0.039 0.000 2.472 111 V HA 0.475 4.594 4.120 -0.001 0.000 0.290 111 V C 0.080 176.229 176.094 0.091 0.000 1.037 111 V CA -0.752 61.596 62.300 0.079 0.000 0.908 111 V CB 1.538 33.414 31.823 0.088 0.000 0.985 111 V HN 0.842 nan 8.190 nan 0.000 0.454 112 M N 4.302 123.981 119.600 0.132 0.000 2.190 112 M HA 0.514 4.993 4.480 -0.001 0.000 0.312 112 M C -1.270 175.240 176.300 0.350 0.000 0.990 112 M CA -0.545 54.847 55.300 0.153 0.000 0.927 112 M CB 2.059 34.658 32.600 -0.002 0.000 1.571 112 M HN 0.423 nan 8.290 nan 0.000 0.427 113 V N 3.679 123.833 119.914 0.399 0.000 2.370 113 V HA 0.352 4.471 4.120 -0.001 0.000 0.283 113 V C -0.755 175.676 176.094 0.562 0.000 1.023 113 V CA -0.642 61.904 62.300 0.410 0.000 0.857 113 V CB 1.428 33.377 31.823 0.210 0.000 0.985 113 V HN 0.838 nan 8.190 nan 0.000 0.443 114 W N 6.990 128.467 121.300 0.295 0.000 2.390 114 W HA 0.621 5.281 4.660 -0.001 0.000 0.312 114 W C -1.325 175.136 176.519 -0.097 0.000 1.123 114 W CA -0.875 56.442 57.345 -0.047 0.000 1.202 114 W CB 1.342 30.784 29.460 -0.031 0.000 1.251 114 W HN 0.450 nan 8.180 nan 0.000 0.511 115 I N 9.466 129.466 120.570 -0.949 0.000 2.405 115 I HA 0.059 4.229 4.170 -0.001 0.000 0.280 115 I C -0.103 175.270 176.117 -1.241 0.000 1.027 115 I CA -1.077 59.722 61.300 -0.835 0.000 1.161 115 I CB 0.287 37.975 38.000 -0.521 0.000 1.300 115 I HN 0.305 nan 8.210 nan 0.000 0.463 116 Y N 4.528 124.333 120.300 -0.826 0.000 2.459 116 Y HA 0.607 5.157 4.550 -0.001 0.000 0.349 116 Y C 0.797 176.518 175.900 -0.299 0.000 1.266 116 Y CA -0.826 56.903 58.100 -0.619 0.000 1.483 116 Y CB -0.212 38.113 38.460 -0.225 0.000 1.362 116 Y HN 0.505 nan 8.280 nan 0.000 0.628 117 G N -1.306 107.541 108.800 0.078 0.000 2.642 117 G HA2 0.505 4.465 3.960 -0.001 0.000 0.291 117 G HA3 0.505 4.465 3.960 -0.001 0.000 0.291 117 G C 0.190 175.030 174.900 -0.099 0.000 1.345 117 G CA -0.932 44.125 45.100 -0.071 0.000 1.043 117 G HN 1.713 nan 8.290 nan 0.000 0.528 118 G N -2.641 105.948 108.800 -0.352 0.000 2.321 118 G HA2 0.406 4.366 3.960 -0.001 0.000 0.219 118 G HA3 0.406 4.366 3.960 -0.001 0.000 0.219 118 G C 1.009 175.355 174.900 -0.924 0.000 1.057 118 G CA 0.653 45.402 45.100 -0.586 0.000 0.849 118 G HN 2.245 nan 8.290 nan 0.000 0.520 119 G N -0.429 107.843 108.800 -0.880 0.000 2.337 119 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.290 119 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.290 119 G C 1.014 175.613 174.900 -0.501 0.000 1.003 119 G CA 0.984 45.342 45.100 -1.236 0.000 0.825 119 G HN 1.701 nan 8.290 nan 0.000 0.509 120 F N -3.673 116.151 119.950 -0.212 0.000 2.705 120 F HA -0.347 4.179 4.527 -0.001 0.000 0.413 120 F C 1.689 177.547 175.800 0.096 0.000 0.588 120 F CA 2.231 60.223 58.000 -0.013 0.000 1.187 120 F CB -1.964 36.925 39.000 -0.184 0.000 1.737 120 F HN 0.767 nan 8.300 nan 0.000 0.285 121 Y N -0.364 120.008 120.300 0.120 0.000 2.478 121 Y HA 0.594 5.144 4.550 -0.001 0.000 0.261 121 Y C 0.884 176.899 175.900 0.192 0.000 1.127 121 Y CA 0.436 58.637 58.100 0.168 0.000 1.288 121 Y CB -0.175 38.313 38.460 0.047 0.000 1.084 121 Y HN 0.091 nan 8.280 nan 0.000 0.530 122 S N -0.933 114.543 115.700 -0.373 0.000 2.705 122 S HA 0.909 5.379 4.470 -0.001 0.000 0.280 122 S C -0.209 174.226 174.600 -0.275 0.000 1.174 122 S CA -0.529 57.531 58.200 -0.234 0.000 0.823 122 S CB 1.581 64.615 63.200 -0.276 0.000 1.162 122 S HN 1.178 nan 8.310 nan 0.000 0.487 123 G N -0.349 108.252 108.800 -0.331 0.000 2.348 123 G HA2 0.442 4.402 3.960 -0.001 0.000 0.606 123 G HA3 0.442 4.402 3.960 -0.001 0.000 0.606 123 G C -1.169 173.131 174.900 -0.999 0.000 1.466 123 G CA -0.342 44.334 45.100 -0.707 0.000 0.950 123 G HN 1.466 nan 8.290 nan 0.000 0.657 124 S N -0.790 114.290 115.700 -1.033 0.000 2.533 124 S HA 0.656 5.125 4.470 -0.001 0.000 0.271 124 S C 0.768 175.255 174.600 -0.189 0.000 1.143 124 S CA -0.041 57.828 58.200 -0.551 0.000 0.891 124 S CB 1.837 64.884 63.200 -0.254 0.000 1.105 124 S HN 1.732 nan 8.310 nan 0.000 0.468 125 S N -0.022 115.744 115.700 0.111 0.000 2.562 125 S HA -0.033 4.437 4.470 -0.001 0.000 0.221 125 S C 1.418 176.090 174.600 0.119 0.000 0.975 125 S CA 0.685 59.095 58.200 0.349 0.000 0.918 125 S CB -0.576 62.869 63.200 0.409 0.000 0.772 125 S HN 0.900 nan 8.310 nan 0.000 0.531 126 T N 0.152 114.591 114.554 -0.191 0.000 3.122 126 T HA 0.406 4.756 4.350 -0.001 0.000 0.250 126 T C 0.446 174.870 174.700 -0.460 0.000 1.067 126 T CA -0.520 61.157 62.100 -0.704 0.000 0.966 126 T CB -0.594 67.807 68.868 -0.777 0.000 1.002 126 T HN 0.260 nan 8.240 nan 0.000 0.542 127 L N 1.675 122.731 121.223 -0.279 0.000 2.483 127 L HA 0.215 4.555 4.340 -0.001 0.000 0.275 127 L C 1.276 177.922 176.870 -0.374 0.000 1.220 127 L CA -0.532 54.067 54.840 -0.400 0.000 0.833 127 L CB 0.311 41.959 42.059 -0.686 0.000 1.102 127 L HN 0.029 nan 8.230 nan 0.000 0.490 128 D N 0.703 120.889 120.400 -0.356 0.000 2.178 128 D HA -0.106 4.533 4.640 -0.001 0.000 0.202 128 D C 1.986 178.074 176.300 -0.353 0.000 0.974 128 D CA 0.906 54.754 54.000 -0.254 0.000 0.841 128 D CB 0.032 40.708 40.800 -0.207 0.000 0.953 128 D HN 0.418 nan 8.370 nan 0.000 0.478 129 V N -0.151 119.411 119.914 -0.587 0.000 2.913 129 V HA -0.179 3.941 4.120 -0.001 0.000 0.260 129 V C 1.163 176.812 176.094 -0.741 0.000 1.098 129 V CA 0.989 62.902 62.300 -0.645 0.000 1.121 129 V CB -0.936 30.381 31.823 -0.843 0.000 0.714 129 V HN 0.135 nan 8.190 nan 0.000 0.487 130 Y N 0.120 119.982 120.300 -0.729 0.000 2.532 130 Y HA 0.352 4.902 4.550 -0.001 0.000 0.283 130 Y C 1.034 176.524 175.900 -0.683 0.000 1.181 130 Y CA -1.727 55.704 58.100 -1.114 0.000 1.256 130 Y CB -1.247 36.841 38.460 -0.620 0.000 1.112 130 Y HN 0.306 nan 8.280 nan 0.000 0.521 131 N N 0.903 119.431 118.700 -0.287 0.000 2.406 131 N HA 0.096 4.835 4.740 -0.001 0.000 0.269 131 N C 1.365 176.665 175.510 -0.350 0.000 1.210 131 N CA 0.290 53.200 53.050 -0.233 0.000 0.966 131 N CB 0.394 38.866 38.487 -0.025 0.000 1.293 131 N HN 0.358 nan 8.380 nan 0.000 0.491 132 G N 2.875 111.125 108.800 -0.917 0.000 3.061 132 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.208 132 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.208 132 G C 1.305 175.719 174.900 -0.810 0.000 1.175 132 G CA 0.330 45.052 45.100 -0.630 0.000 0.812 132 G HN 0.739 nan 8.290 nan 0.000 0.523 133 K N -0.743 119.041 120.400 -1.027 0.000 2.097 133 K HA -0.081 4.238 4.320 -0.001 0.000 0.205 133 K C 1.680 178.028 176.600 -0.420 0.000 1.050 133 K CA 1.000 56.872 56.287 -0.692 0.000 0.938 133 K CB -0.423 31.688 32.500 -0.649 0.000 0.718 133 K HN 0.303 nan 8.250 nan 0.000 0.442 134 Y N 0.797 121.020 120.300 -0.129 0.000 2.200 134 Y HA -0.101 4.449 4.550 -0.001 0.000 0.290 134 Y C 2.228 178.122 175.900 -0.010 0.000 1.137 134 Y CA 0.663 58.736 58.100 -0.045 0.000 1.163 134 Y CB -0.497 37.913 38.460 -0.083 0.000 0.988 134 Y HN 0.035 nan 8.280 nan 0.000 0.518 135 L N 0.227 121.486 121.223 0.060 0.000 2.027 135 L HA -0.100 4.239 4.340 -0.001 0.000 0.206 135 L C 2.394 179.289 176.870 0.042 0.000 1.074 135 L CA 1.891 56.728 54.840 -0.005 0.000 0.745 135 L CB -1.392 40.581 42.059 -0.143 0.000 0.898 135 L HN 0.165 nan 8.230 nan 0.000 0.433 136 A N -1.330 121.525 122.820 0.058 0.000 1.851 136 A HA -0.324 3.996 4.320 -0.001 0.000 0.216 136 A C 2.319 179.980 177.584 0.128 0.000 1.195 136 A CA 2.102 54.213 52.037 0.123 0.000 0.622 136 A CB -1.333 17.794 19.000 0.211 0.000 0.831 136 A HN 0.570 nan 8.150 nan 0.000 0.444 137 Y N 1.174 121.490 120.300 0.026 0.000 2.036 137 Y HA -0.246 4.303 4.550 -0.001 0.000 0.273 137 Y C 2.859 178.783 175.900 0.040 0.000 1.135 137 Y CA 2.713 60.831 58.100 0.030 0.000 1.106 137 Y CB -0.932 37.527 38.460 -0.003 0.000 0.976 137 Y HN 0.348 nan 8.280 nan 0.000 0.483 138 T N 0.407 115.068 114.554 0.177 0.000 2.597 138 T HA -0.206 4.143 4.350 -0.001 0.000 0.267 138 T C 1.330 176.038 174.700 0.013 0.000 1.053 138 T CA 1.888 64.040 62.100 0.087 0.000 1.165 138 T CB -0.270 68.675 68.868 0.128 0.000 0.863 138 T HN 0.328 nan 8.240 nan 0.000 0.427 139 E N 0.515 120.738 120.200 0.038 0.000 2.463 139 E HA 0.152 4.502 4.350 -0.001 0.000 0.193 139 E C 0.178 176.787 176.600 0.014 0.000 1.041 139 E CA -0.021 56.406 56.400 0.045 0.000 0.879 139 E CB -0.035 29.695 29.700 0.049 0.000 0.997 139 E HN 0.560 nan 8.360 nan 0.000 0.478 140 E N -0.045 120.146 120.200 -0.015 0.000 2.269 140 E HA -0.187 4.163 4.350 -0.001 0.000 0.223 140 E C -0.417 176.201 176.600 0.029 0.000 1.244 140 E CA 0.565 56.960 56.400 -0.010 0.000 0.713 140 E CB -1.264 28.420 29.700 -0.026 0.000 1.178 140 E HN 0.166 nan 8.360 nan 0.000 0.370 141 V N -3.528 116.418 119.914 0.054 0.000 2.864 141 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 141 V C 0.397 176.564 176.094 0.122 0.000 1.073 141 V CA -1.084 61.255 62.300 0.066 0.000 0.956 141 V CB 2.263 34.110 31.823 0.040 0.000 1.023 141 V HN -0.082 nan 8.190 nan 0.000 0.435 142 V N 4.621 124.613 119.914 0.130 0.000 2.387 142 V HA 0.293 4.413 4.120 -0.001 0.000 0.260 142 V C 0.079 176.303 176.094 0.217 0.000 1.054 142 V CA 0.095 62.504 62.300 0.181 0.000 0.967 142 V CB 0.725 32.642 31.823 0.157 0.000 1.036 142 V HN 0.774 nan 8.190 nan 0.000 0.481 143 L N 7.135 128.544 121.223 0.310 0.000 2.264 143 L HA 0.570 4.909 4.340 -0.001 0.000 0.289 143 L C -0.387 176.782 176.870 0.498 0.000 1.044 143 L CA 0.075 55.149 54.840 0.391 0.000 0.807 143 L CB 1.375 43.669 42.059 0.392 0.000 1.192 143 L HN 0.402 nan 8.230 nan 0.000 0.425 144 V N 3.429 123.600 119.914 0.430 0.000 2.581 144 V HA 0.623 4.742 4.120 -0.001 0.000 0.303 144 V C -0.238 176.147 176.094 0.486 0.000 1.041 144 V CA -0.481 62.050 62.300 0.385 0.000 0.907 144 V CB 1.949 33.921 31.823 0.248 0.000 0.994 144 V HN 0.845 nan 8.190 nan 0.000 0.442 145 S N 4.886 120.877 115.700 0.484 0.000 2.605 145 S HA 0.810 5.280 4.470 -0.001 0.000 0.308 145 S C -0.859 173.958 174.600 0.361 0.000 1.113 145 S CA -0.772 57.739 58.200 0.518 0.000 1.049 145 S CB 1.400 65.002 63.200 0.669 0.000 1.001 145 S HN 0.680 nan 8.310 nan 0.000 0.480 146 L N 0.970 122.346 121.223 0.256 0.000 2.397 146 L HA 1.008 5.348 4.340 -0.001 0.000 0.266 146 L C 0.015 177.047 176.870 0.270 0.000 1.040 146 L CA -0.723 54.255 54.840 0.229 0.000 0.800 146 L CB 0.663 42.753 42.059 0.052 0.000 1.324 146 L HN 0.829 nan 8.230 nan 0.000 0.469 147 S N -1.324 114.603 115.700 0.378 0.000 2.569 147 S HA 0.855 5.324 4.470 -0.001 0.000 0.280 147 S C -1.236 173.615 174.600 0.418 0.000 1.111 147 S CA -0.621 57.801 58.200 0.369 0.000 0.887 147 S CB 1.377 64.820 63.200 0.405 0.000 1.095 147 S HN 0.993 nan 8.310 nan 0.000 0.476 148 Y N -1.193 119.241 120.300 0.224 0.000 2.562 148 Y HA 0.720 5.270 4.550 -0.001 0.000 0.345 148 Y C -0.495 175.558 175.900 0.256 0.000 1.045 148 Y CA -1.510 56.715 58.100 0.208 0.000 1.028 148 Y CB 0.824 39.359 38.460 0.125 0.000 1.297 148 Y HN 0.724 nan 8.280 nan 0.000 0.463 149 R N 1.800 122.474 120.500 0.290 0.000 2.570 149 R HA 0.476 4.815 4.340 -0.001 0.000 0.277 149 R C -0.193 176.325 176.300 0.363 0.000 1.039 149 R CA -0.157 56.073 56.100 0.215 0.000 1.065 149 R CB 0.640 31.027 30.300 0.145 0.000 0.964 149 R HN 0.695 nan 8.270 nan 0.000 0.428 150 V N -0.087 120.044 119.914 0.363 0.000 3.204 150 V HA 0.887 5.007 4.120 -0.001 0.000 0.316 150 V C 0.787 177.215 176.094 0.556 0.000 1.160 150 V CA -0.199 62.417 62.300 0.526 0.000 1.044 150 V CB 1.151 33.165 31.823 0.318 0.000 1.136 150 V HN 0.976 nan 8.190 nan 0.000 0.455 151 G N 0.271 109.416 108.800 0.575 0.000 2.598 151 G HA2 0.036 3.996 3.960 -0.001 0.000 0.269 151 G HA3 0.036 3.996 3.960 -0.001 0.000 0.269 151 G C 1.001 176.071 174.900 0.283 0.000 1.289 151 G CA 0.931 46.316 45.100 0.476 0.000 0.926 151 G HN 2.205 nan 8.290 nan 0.000 0.567 152 A N -1.358 121.345 122.820 -0.196 0.000 1.948 152 A HA 0.138 4.458 4.320 -0.001 0.000 0.220 152 A C 2.251 179.677 177.584 -0.264 0.000 1.177 152 A CA 2.677 54.215 52.037 -0.831 0.000 0.636 152 A CB -0.563 17.780 19.000 -1.094 0.000 0.815 152 A HN 1.044 nan 8.150 nan 0.000 0.449 153 F N 0.047 120.050 119.950 0.087 0.000 2.154 153 F HA -0.114 4.413 4.527 -0.001 0.000 0.301 153 F C 2.443 178.275 175.800 0.053 0.000 1.087 153 F CA 1.343 59.383 58.000 0.067 0.000 1.274 153 F CB -0.727 38.276 39.000 0.005 0.000 1.009 153 F HN 0.301 nan 8.300 nan 0.000 0.485 154 G N -2.822 106.104 108.800 0.210 0.000 2.784 154 G HA2 0.061 4.021 3.960 -0.001 0.000 0.208 154 G HA3 0.061 4.021 3.960 -0.001 0.000 0.208 154 G C 0.825 175.375 174.900 -0.582 0.000 1.120 154 G CA 0.047 45.074 45.100 -0.121 0.000 0.774 154 G HN 0.318 nan 8.290 nan 0.000 0.528 155 F N 0.037 120.057 119.950 0.117 0.000 2.781 155 F HA 0.461 4.987 4.527 -0.001 0.000 0.322 155 F C 0.590 176.421 175.800 0.052 0.000 1.108 155 F CA -0.953 57.093 58.000 0.077 0.000 1.179 155 F CB 0.506 39.573 39.000 0.111 0.000 1.072 155 F HN -0.104 nan 8.300 nan 0.000 0.545 156 L N 2.010 123.199 121.223 -0.058 0.000 2.578 156 L HA 0.292 4.631 4.340 -0.001 0.000 0.279 156 L C 0.253 177.091 176.870 -0.052 0.000 1.227 156 L CA 0.153 54.853 54.840 -0.233 0.000 0.900 156 L CB 0.489 42.158 42.059 -0.650 0.000 1.144 156 L HN 0.160 nan 8.230 nan 0.000 0.496 157 A N 7.251 130.098 122.820 0.046 0.000 2.483 157 A HA 0.464 4.784 4.320 -0.001 0.000 0.308 157 A C -0.521 177.085 177.584 0.038 0.000 1.291 157 A CA -0.506 51.562 52.037 0.052 0.000 0.774 157 A CB 0.330 19.393 19.000 0.104 0.000 1.134 157 A HN 0.705 nan 8.150 nan 0.000 0.471 158 L N 3.431 124.651 121.223 -0.004 0.000 2.556 158 L HA 0.180 4.519 4.340 -0.001 0.000 0.245 158 L C 0.319 177.215 176.870 0.043 0.000 1.174 158 L CA -0.744 54.098 54.840 0.004 0.000 1.117 158 L CB -0.344 41.684 42.059 -0.051 0.000 1.409 158 L HN 0.842 nan 8.230 nan 0.000 0.411 159 H N 1.646 120.715 119.070 -0.002 0.000 3.167 159 H HA 0.129 4.684 4.556 -0.001 0.000 0.306 159 H C 1.170 176.503 175.328 0.009 0.000 0.965 159 H CA 1.475 57.529 56.048 0.011 0.000 1.408 159 H CB 0.544 30.317 29.762 0.018 0.000 1.406 159 H HN 0.703 nan 8.280 nan 0.000 0.576 160 G N 2.708 111.186 108.800 -0.535 0.000 2.259 160 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.217 160 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.217 160 G C 0.462 175.264 174.900 -0.164 0.000 1.001 160 G CA 0.233 45.121 45.100 -0.354 0.000 0.627 160 G HN 0.942 nan 8.290 nan 0.000 0.501 161 S N -0.282 115.353 115.700 -0.108 0.000 2.632 161 S HA 0.634 5.103 4.470 -0.001 0.000 0.271 161 S C 1.020 175.598 174.600 -0.038 0.000 1.260 161 S CA 0.298 58.467 58.200 -0.052 0.000 1.010 161 S CB 1.629 64.810 63.200 -0.031 0.000 0.965 161 S HN 0.166 nan 8.310 nan 0.000 0.534 162 Q N 0.677 120.470 119.800 -0.012 0.000 2.317 162 Q HA 0.218 4.557 4.340 -0.001 0.000 0.220 162 Q C 1.205 177.222 176.000 0.027 0.000 0.873 162 Q CA 0.276 56.081 55.803 0.004 0.000 0.936 162 Q CB 0.234 28.975 28.738 0.005 0.000 1.105 162 Q HN 0.738 nan 8.270 nan 0.000 0.520 163 E N 0.514 120.735 120.200 0.034 0.000 2.230 163 E HA 0.077 4.426 4.350 -0.001 0.000 0.192 163 E C 0.151 176.807 176.600 0.094 0.000 0.987 163 E CA 0.480 56.921 56.400 0.068 0.000 0.841 163 E CB 0.580 30.325 29.700 0.075 0.000 0.783 163 E HN 0.090 nan 8.360 nan 0.000 0.481 164 A N 1.802 124.645 122.820 0.039 0.000 3.266 164 A HA 0.292 4.612 4.320 -0.001 0.000 0.310 164 A C -2.074 175.511 177.584 0.001 0.000 1.066 164 A CA -0.958 51.082 52.037 0.005 0.000 0.839 164 A CB 0.718 19.631 19.000 -0.145 0.000 1.192 164 A HN -0.129 nan 8.150 nan 0.000 0.496 165 P HA 0.128 nan 4.420 nan 0.000 0.220 165 P C 0.919 178.272 177.300 0.088 0.000 1.152 165 P CA 1.877 65.008 63.100 0.052 0.000 0.812 165 P CB 0.202 31.934 31.700 0.053 0.000 0.792 166 G N 0.050 108.877 108.800 0.045 0.000 2.662 166 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.686 166 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.686 166 G C -0.141 174.756 174.900 -0.006 0.000 1.271 166 G CA -0.251 44.874 45.100 0.042 0.000 0.816 166 G HN 0.121 nan 8.290 nan 0.000 0.608 167 N N -2.327 116.341 118.700 -0.054 0.000 2.863 167 N HA -0.283 4.456 4.740 -0.001 0.000 0.245 167 N C 2.040 177.364 175.510 -0.310 0.000 1.001 167 N CA 2.590 55.528 53.050 -0.187 0.000 0.901 167 N CB -1.576 36.799 38.487 -0.186 0.000 1.124 167 N HN 1.940 nan 8.380 nan 0.000 0.582 168 V N -2.576 117.175 119.914 -0.272 0.000 2.469 168 V HA -0.078 4.041 4.120 -0.001 0.000 0.251 168 V C 2.334 178.281 176.094 -0.246 0.000 1.064 168 V CA 2.466 64.661 62.300 -0.174 0.000 1.066 168 V CB -1.060 30.714 31.823 -0.081 0.000 0.667 168 V HN 0.293 nan 8.190 nan 0.000 0.461 169 G N 0.078 108.517 108.800 -0.602 0.000 2.432 169 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.219 169 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.219 169 G C 1.577 176.389 174.900 -0.148 0.000 1.135 169 G CA 1.122 45.956 45.100 -0.444 0.000 0.767 169 G HN 0.535 nan 8.290 nan 0.000 0.550 170 L N -0.240 120.837 121.223 -0.244 0.000 2.156 170 L HA 0.121 4.460 4.340 -0.001 0.000 0.208 170 L C 2.765 179.672 176.870 0.062 0.000 1.095 170 L CA 0.369 55.084 54.840 -0.209 0.000 0.770 170 L CB -0.171 41.429 42.059 -0.765 0.000 0.914 170 L HN 0.221 nan 8.230 nan 0.000 0.439 171 L N -0.837 120.422 121.223 0.061 0.000 2.179 171 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 171 L C 2.048 178.991 176.870 0.121 0.000 1.096 171 L CA 0.627 55.565 54.840 0.164 0.000 0.779 171 L CB -0.523 41.609 42.059 0.121 0.000 0.922 171 L HN 0.232 nan 8.230 nan 0.000 0.443 172 D N 0.087 120.555 120.400 0.114 0.000 2.117 172 D HA -0.200 4.440 4.640 -0.001 0.000 0.197 172 D C 2.259 178.584 176.300 0.041 0.000 0.987 172 D CA 1.116 55.233 54.000 0.196 0.000 0.829 172 D CB -0.130 40.848 40.800 0.298 0.000 0.961 172 D HN 0.359 nan 8.370 nan 0.000 0.460 173 Q N 0.125 119.942 119.800 0.029 0.000 2.030 173 Q HA -0.150 4.189 4.340 -0.001 0.000 0.204 173 Q C 2.320 178.219 176.000 -0.169 0.000 0.986 173 Q CA 1.157 56.917 55.803 -0.072 0.000 0.843 173 Q CB -0.078 28.681 28.738 0.036 0.000 0.904 173 Q HN 0.198 nan 8.270 nan 0.000 0.420 174 R N 0.557 121.034 120.500 -0.038 0.000 2.083 174 R HA -0.165 4.174 4.340 -0.001 0.000 0.237 174 R C 2.243 178.474 176.300 -0.116 0.000 1.137 174 R CA 1.655 57.691 56.100 -0.105 0.000 0.951 174 R CB -0.221 30.126 30.300 0.078 0.000 0.851 174 R HN 0.279 nan 8.270 nan 0.000 0.434 175 M N -0.124 119.428 119.600 -0.080 0.000 2.159 175 M HA -0.143 4.336 4.480 -0.001 0.000 0.263 175 M C 2.082 178.263 176.300 -0.198 0.000 1.063 175 M CA 1.929 57.197 55.300 -0.054 0.000 1.110 175 M CB -0.039 32.607 32.600 0.077 0.000 1.374 175 M HN 0.371 nan 8.290 nan 0.000 0.411 176 A N 0.121 122.572 122.820 -0.617 0.000 1.969 176 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 176 A C 1.952 179.424 177.584 -0.187 0.000 1.169 176 A CA 1.072 52.656 52.037 -0.756 0.000 0.635 176 A CB -0.768 17.485 19.000 -1.245 0.000 0.810 176 A HN 0.546 nan 8.150 nan 0.000 0.445 177 L N -1.156 119.962 121.223 -0.175 0.000 2.056 177 L HA -0.224 4.115 4.340 -0.001 0.000 0.207 177 L C 2.865 179.757 176.870 0.037 0.000 1.078 177 L CA 1.756 56.557 54.840 -0.066 0.000 0.749 177 L CB -0.474 41.495 42.059 -0.150 0.000 0.901 177 L HN 0.456 nan 8.230 nan 0.000 0.433 178 Q N -0.402 119.406 119.800 0.014 0.000 2.050 178 Q HA -0.264 4.076 4.340 -0.001 0.000 0.202 178 Q C 1.982 178.071 176.000 0.149 0.000 0.980 178 Q CA 2.006 57.845 55.803 0.060 0.000 0.840 178 Q CB -0.494 28.263 28.738 0.033 0.000 0.898 178 Q HN 0.458 nan 8.270 nan 0.000 0.424 179 W N -0.744 120.558 121.300 0.003 0.000 2.338 179 W HA -0.183 4.476 4.660 -0.001 0.000 0.304 179 W C 1.827 178.388 176.519 0.070 0.000 1.212 179 W CA 1.644 59.023 57.345 0.057 0.000 1.264 179 W CB -0.125 29.383 29.460 0.080 0.000 1.142 179 W HN 0.013 nan 8.180 nan 0.000 0.512 180 V N -0.362 119.774 119.914 0.369 0.000 2.427 180 V HA -0.341 3.779 4.120 -0.001 0.000 0.248 180 V C 2.085 178.227 176.094 0.081 0.000 1.051 180 V CA 2.400 64.852 62.300 0.252 0.000 1.048 180 V CB -1.219 30.729 31.823 0.209 0.000 0.666 180 V HN 0.284 nan 8.190 nan 0.000 0.456 181 H N 0.299 119.362 119.070 -0.011 0.000 2.353 181 H HA -0.145 4.411 4.556 -0.001 0.000 0.300 181 H C 2.034 177.279 175.328 -0.138 0.000 1.090 181 H CA 2.030 58.043 56.048 -0.059 0.000 1.327 181 H CB 0.022 29.761 29.762 -0.038 0.000 1.383 181 H HN 0.365 nan 8.280 nan 0.000 0.508 182 D N -0.746 119.607 120.400 -0.078 0.000 2.234 182 D HA -0.055 4.585 4.640 -0.001 0.000 0.205 182 D C 0.921 177.003 176.300 -0.363 0.000 0.962 182 D CA 0.864 54.744 54.000 -0.199 0.000 0.855 182 D CB 0.065 40.767 40.800 -0.162 0.000 0.951 182 D HN 0.513 nan 8.370 nan 0.000 0.500 183 N N -0.207 118.198 118.700 -0.492 0.000 2.159 183 N HA 0.028 4.768 4.740 -0.001 0.000 0.217 183 N C 1.309 176.649 175.510 -0.283 0.000 1.223 183 N CA -0.147 52.620 53.050 -0.473 0.000 0.896 183 N CB 1.188 39.176 38.487 -0.832 0.000 1.064 183 N HN 0.008 nan 8.380 nan 0.000 0.518 184 I N 3.035 123.496 120.570 -0.181 0.000 2.567 184 I HA -0.246 3.923 4.170 -0.001 0.000 0.257 184 I C 2.589 178.662 176.117 -0.074 0.000 1.184 184 I CA 1.361 62.677 61.300 0.027 0.000 1.451 184 I CB -0.178 37.825 38.000 0.005 0.000 1.089 184 I HN 0.207 nan 8.210 nan 0.000 0.441 185 Q N -0.777 118.778 119.800 -0.408 0.000 2.170 185 Q HA -0.214 4.126 4.340 -0.001 0.000 0.203 185 Q C 1.718 177.505 176.000 -0.356 0.000 0.976 185 Q CA 1.564 57.105 55.803 -0.436 0.000 0.858 185 Q CB -0.797 27.566 28.738 -0.624 0.000 0.907 185 Q HN 0.410 nan 8.270 nan 0.000 0.433 186 F N -0.405 119.469 119.950 -0.126 0.000 2.699 186 F HA 0.138 4.665 4.527 -0.001 0.000 0.298 186 F C 0.779 176.318 175.800 -0.435 0.000 1.154 186 F CA 0.118 57.939 58.000 -0.299 0.000 1.457 186 F CB -0.119 38.613 39.000 -0.446 0.000 1.106 186 F HN 0.002 nan 8.300 nan 0.000 0.585 187 F N -0.724 119.234 119.950 0.013 0.000 2.682 187 F HA 0.442 4.968 4.527 -0.001 0.000 0.308 187 F C 1.742 177.554 175.800 0.020 0.000 1.093 187 F CA 0.214 58.207 58.000 -0.013 0.000 1.244 187 F CB 0.254 39.236 39.000 -0.030 0.000 1.052 187 F HN 0.015 nan 8.300 nan 0.000 0.573 188 G N 0.448 109.322 108.800 0.122 0.000 2.157 188 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.248 188 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.248 188 G C 0.529 175.467 174.900 0.063 0.000 0.979 188 G CA -0.232 44.915 45.100 0.078 0.000 0.650 188 G HN 0.708 nan 8.290 nan 0.000 0.529 189 G N -0.365 108.476 108.800 0.069 0.000 2.389 189 G HA2 0.519 4.479 3.960 -0.001 0.000 0.317 189 G HA3 0.519 4.479 3.960 -0.001 0.000 0.317 189 G C -0.680 174.202 174.900 -0.029 0.000 1.137 189 G CA 0.274 45.398 45.100 0.040 0.000 0.870 189 G HN 0.342 nan 8.290 nan 0.000 0.496 190 D N 1.863 122.244 120.400 -0.031 0.000 2.347 190 D HA 0.267 4.907 4.640 -0.001 0.000 0.235 190 D C -1.152 175.100 176.300 -0.079 0.000 1.149 190 D CA -2.394 51.565 54.000 -0.067 0.000 0.850 190 D CB 1.807 42.577 40.800 -0.050 0.000 1.061 190 D HN 0.070 nan 8.370 nan 0.000 0.487 191 P HA -0.077 nan 4.420 nan 0.000 0.234 191 P C 0.326 177.548 177.300 -0.130 0.000 1.167 191 P CA 0.554 63.538 63.100 -0.192 0.000 0.763 191 P CB 0.310 31.766 31.700 -0.406 0.000 0.835 192 K N -0.786 119.560 120.400 -0.091 0.000 2.399 192 K HA 0.219 4.538 4.320 -0.001 0.000 0.204 192 K C 0.189 176.771 176.600 -0.029 0.000 1.023 192 K CA 0.244 56.504 56.287 -0.046 0.000 1.127 192 K CB 0.337 32.803 32.500 -0.058 0.000 0.856 192 K HN -0.019 nan 8.250 nan 0.000 0.514 193 T N 0.694 115.236 114.554 -0.020 0.000 4.076 193 T HA 0.185 4.534 4.350 -0.001 0.000 0.222 193 T C -0.927 173.779 174.700 0.010 0.000 1.008 193 T CA -0.239 61.849 62.100 -0.020 0.000 1.486 193 T CB 0.732 69.574 68.868 -0.043 0.000 0.828 193 T HN -0.284 nan 8.240 nan 0.000 0.625 194 V N 2.271 122.218 119.914 0.056 0.000 2.370 194 V HA 0.508 4.628 4.120 -0.001 0.000 0.283 194 V C 0.239 176.426 176.094 0.156 0.000 1.023 194 V CA -0.239 62.125 62.300 0.106 0.000 0.857 194 V CB 1.709 33.618 31.823 0.143 0.000 0.985 194 V HN 0.521 nan 8.190 nan 0.000 0.443 195 T N 6.732 121.365 114.554 0.131 0.000 2.779 195 T HA 0.575 4.925 4.350 -0.001 0.000 0.280 195 T C -0.173 174.644 174.700 0.195 0.000 0.987 195 T CA -0.157 62.040 62.100 0.162 0.000 0.966 195 T CB 0.823 69.742 68.868 0.084 0.000 0.933 195 T HN 0.601 nan 8.240 nan 0.000 0.442 196 I N 2.092 122.767 120.570 0.175 0.000 2.331 196 I HA 0.795 4.964 4.170 -0.001 0.000 0.292 196 I C -0.766 175.511 176.117 0.268 0.000 0.998 196 I CA -0.901 60.484 61.300 0.141 0.000 1.267 196 I CB 0.456 38.344 38.000 -0.186 0.000 1.386 196 I HN 0.403 nan 8.210 nan 0.000 0.476 197 F N 3.758 123.745 119.950 0.062 0.000 2.588 197 F HA 1.040 5.567 4.527 -0.001 0.000 0.314 197 F C -0.218 175.528 175.800 -0.089 0.000 1.069 197 F CA -1.808 56.246 58.000 0.091 0.000 0.931 197 F CB 1.307 40.474 39.000 0.277 0.000 1.260 197 F HN 0.771 nan 8.300 nan 0.000 0.465 198 G N 0.771 109.394 108.800 -0.295 0.000 2.660 198 G HA2 0.488 4.448 3.960 -0.001 0.000 0.290 198 G HA3 0.488 4.448 3.960 -0.001 0.000 0.290 198 G C -2.412 172.238 174.900 -0.416 0.000 1.432 198 G CA -0.806 43.772 45.100 -0.870 0.000 0.807 198 G HN 0.844 nan 8.290 nan 0.000 0.485 199 E N -0.047 119.877 120.200 -0.460 0.000 2.212 199 E HA 0.522 4.871 4.350 -0.001 0.000 0.268 199 E C 1.098 177.625 176.600 -0.123 0.000 0.902 199 E CA 0.486 56.830 56.400 -0.094 0.000 0.779 199 E CB 1.941 31.712 29.700 0.120 0.000 1.172 199 E HN 1.287 nan 8.360 nan 0.000 0.409 200 S N 3.593 119.284 115.700 -0.015 0.000 4.158 200 S HA -0.421 4.049 4.470 -0.001 0.000 0.538 200 S C 1.669 176.354 174.600 0.142 0.000 1.794 200 S CA 1.943 60.218 58.200 0.127 0.000 4.172 200 S CB -1.791 61.442 63.200 0.055 0.000 0.768 200 S HN 0.928 nan 8.310 nan 0.000 0.455 201 A N 2.130 124.889 122.820 -0.102 0.000 1.968 201 A HA 0.425 4.744 4.320 -0.001 0.000 0.217 201 A C 2.545 179.887 177.584 -0.403 0.000 1.169 201 A CA 1.968 53.744 52.037 -0.436 0.000 0.638 201 A CB -1.602 16.769 19.000 -1.048 0.000 0.812 201 A HN 1.710 nan 8.150 nan 0.000 0.446 202 G N -0.570 108.046 108.800 -0.306 0.000 2.403 202 G HA2 0.121 4.081 3.960 -0.001 0.000 0.216 202 G HA3 0.121 4.081 3.960 -0.001 0.000 0.216 202 G C 1.456 176.176 174.900 -0.300 0.000 1.154 202 G CA 1.072 45.950 45.100 -0.370 0.000 0.784 202 G HN 0.625 nan 8.290 nan 0.000 0.538 203 G N 0.937 109.610 108.800 -0.212 0.000 2.408 203 G HA2 0.115 4.075 3.960 -0.001 0.000 0.217 203 G HA3 0.115 4.075 3.960 -0.001 0.000 0.217 203 G C 1.936 176.739 174.900 -0.161 0.000 1.150 203 G CA 1.400 46.419 45.100 -0.136 0.000 0.776 203 G HN 0.586 nan 8.290 nan 0.000 0.542 204 A N 0.597 123.334 122.820 -0.139 0.000 1.930 204 A HA 0.160 4.479 4.320 -0.001 0.000 0.215 204 A C 2.665 180.165 177.584 -0.140 0.000 1.176 204 A CA 1.886 53.810 52.037 -0.189 0.000 0.632 204 A CB -0.426 18.452 19.000 -0.204 0.000 0.819 204 A HN 0.269 nan 8.150 nan 0.000 0.445 205 S N -0.210 115.427 115.700 -0.105 0.000 2.353 205 S HA -0.162 4.307 4.470 -0.001 0.000 0.222 205 S C 1.921 176.422 174.600 -0.165 0.000 1.035 205 S CA 1.442 59.568 58.200 -0.124 0.000 1.025 205 S CB -0.599 62.484 63.200 -0.194 0.000 0.902 205 S HN 0.324 nan 8.310 nan 0.000 0.440 206 V N 1.655 121.479 119.914 -0.150 0.000 2.250 206 V HA -0.276 3.844 4.120 -0.001 0.000 0.253 206 V C 2.570 178.608 176.094 -0.093 0.000 1.065 206 V CA 2.220 64.443 62.300 -0.129 0.000 1.039 206 V CB -1.434 30.308 31.823 -0.135 0.000 0.647 206 V HN 0.631 nan 8.190 nan 0.000 0.446 207 G N -1.705 107.001 108.800 -0.157 0.000 2.448 207 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.219 207 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.219 207 G C 1.552 176.452 174.900 0.001 0.000 1.127 207 G CA 0.958 45.957 45.100 -0.170 0.000 0.766 207 G HN 0.476 nan 8.290 nan 0.000 0.552 208 M N -0.359 119.244 119.600 0.005 0.000 2.200 208 M HA 0.042 4.522 4.480 -0.001 0.000 0.265 208 M C 2.233 178.635 176.300 0.170 0.000 1.066 208 M CA 0.799 56.219 55.300 0.200 0.000 1.127 208 M CB -0.197 32.529 32.600 0.210 0.000 1.379 208 M HN 0.156 nan 8.290 nan 0.000 0.420 209 H N -0.088 119.080 119.070 0.163 0.000 2.495 209 H HA 0.049 4.604 4.556 -0.001 0.000 0.287 209 H C 2.035 177.553 175.328 0.315 0.000 1.033 209 H CA 1.172 57.303 56.048 0.138 0.000 1.307 209 H CB -0.148 29.569 29.762 -0.075 0.000 1.401 209 H HN 0.416 nan 8.280 nan 0.000 0.555 210 I N 0.103 120.942 120.570 0.448 0.000 2.353 210 I HA -0.207 3.962 4.170 -0.001 0.000 0.248 210 I C 2.154 178.523 176.117 0.421 0.000 1.119 210 I CA 0.734 62.355 61.300 0.536 0.000 1.417 210 I CB 0.022 38.285 38.000 0.438 0.000 1.078 210 I HN 0.127 nan 8.210 nan 0.000 0.421 211 L N -0.529 120.907 121.223 0.355 0.000 2.102 211 L HA -0.018 4.322 4.340 -0.001 0.000 0.202 211 L C 1.523 178.522 176.870 0.215 0.000 1.076 211 L CA 0.292 55.343 54.840 0.351 0.000 0.761 211 L CB -0.190 42.113 42.059 0.406 0.000 0.921 211 L HN 0.068 nan 8.230 nan 0.000 0.444 212 S N 0.699 116.441 115.700 0.070 0.000 2.516 212 S HA 0.060 4.530 4.470 -0.001 0.000 0.282 212 S C -1.273 173.233 174.600 -0.157 0.000 1.286 212 S CA -1.389 56.670 58.200 -0.236 0.000 1.066 212 S CB 0.706 63.373 63.200 -0.887 0.000 0.884 212 S HN 0.001 nan 8.310 nan 0.000 0.491 213 P HA -0.069 nan 4.420 nan 0.000 0.215 213 P C 1.402 178.620 177.300 -0.138 0.000 1.153 213 P CA 1.468 64.507 63.100 -0.103 0.000 0.853 213 P CB -0.395 31.252 31.700 -0.088 0.000 0.788 214 G N -1.070 107.596 108.800 -0.222 0.000 2.708 214 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.210 214 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.210 214 G C 1.336 176.137 174.900 -0.165 0.000 1.141 214 G CA 0.426 45.404 45.100 -0.202 0.000 0.788 214 G HN 0.273 nan 8.290 nan 0.000 0.531 215 S N -0.898 114.736 115.700 -0.111 0.000 2.589 215 S HA 0.110 4.579 4.470 -0.001 0.000 0.235 215 S C 2.235 176.927 174.600 0.153 0.000 1.051 215 S CA -0.539 57.682 58.200 0.034 0.000 0.978 215 S CB 0.281 63.604 63.200 0.206 0.000 0.929 215 S HN 0.382 nan 8.310 nan 0.000 0.523 216 R N 2.000 122.536 120.500 0.060 0.000 2.091 216 R HA -0.090 4.249 4.340 -0.001 0.000 0.238 216 R C 0.660 176.780 176.300 -0.300 0.000 1.136 216 R CA 1.547 57.589 56.100 -0.096 0.000 0.959 216 R CB -0.746 29.512 30.300 -0.070 0.000 0.856 216 R HN 0.292 nan 8.270 nan 0.000 0.437 217 D N 0.932 121.222 120.400 -0.183 0.000 2.312 217 D HA -0.022 4.617 4.640 -0.001 0.000 0.211 217 D C 1.630 177.801 176.300 -0.216 0.000 0.964 217 D CA 0.697 54.577 54.000 -0.199 0.000 0.877 217 D CB -0.017 40.684 40.800 -0.165 0.000 0.924 217 D HN 0.208 nan 8.370 nan 0.000 0.515 218 L N -0.099 121.037 121.223 -0.145 0.000 2.612 218 L HA 0.156 4.495 4.340 -0.001 0.000 0.230 218 L C -0.152 176.831 176.870 0.187 0.000 1.140 218 L CA -0.148 54.651 54.840 -0.069 0.000 0.896 218 L CB -0.325 41.712 42.059 -0.036 0.000 1.065 218 L HN -0.049 nan 8.230 nan 0.000 0.447 219 F N -4.177 115.771 119.950 -0.003 0.000 2.713 219 F HA 0.517 5.043 4.527 -0.001 0.000 0.311 219 F C 0.337 176.161 175.800 0.039 0.000 1.141 219 F CA -1.333 56.687 58.000 0.032 0.000 0.939 219 F CB 1.276 40.289 39.000 0.022 0.000 1.325 219 F HN -0.364 nan 8.300 nan 0.000 0.453 220 R N 0.601 121.155 120.500 0.091 0.000 2.084 220 R HA 0.499 4.839 4.340 -0.001 0.000 0.209 220 R C -0.030 176.294 176.300 0.039 0.000 1.173 220 R CA 0.590 56.674 56.100 -0.027 0.000 1.053 220 R CB 0.369 30.666 30.300 -0.005 0.000 0.948 220 R HN 0.776 nan 8.270 nan 0.000 0.460 221 R N -0.861 119.751 120.500 0.186 0.000 2.919 221 R HA 0.739 5.078 4.340 -0.001 0.000 0.260 221 R C -1.483 175.067 176.300 0.415 0.000 1.067 221 R CA -0.704 55.534 56.100 0.229 0.000 1.003 221 R CB 2.218 32.504 30.300 -0.024 0.000 1.192 221 R HN 0.263 nan 8.270 nan 0.000 0.488 222 A N 1.375 124.443 122.820 0.413 0.000 2.515 222 A HA 0.669 4.989 4.320 -0.001 0.000 0.298 222 A C -1.152 176.543 177.584 0.186 0.000 1.059 222 A CA -0.640 51.569 52.037 0.287 0.000 0.698 222 A CB 1.234 20.380 19.000 0.242 0.000 1.289 222 A HN 0.600 nan 8.150 nan 0.000 0.404 223 I N 2.039 122.678 120.570 0.114 0.000 2.439 223 I HA 0.313 4.483 4.170 -0.001 0.000 0.285 223 I C -1.424 174.744 176.117 0.086 0.000 1.021 223 I CA -0.485 60.811 61.300 -0.007 0.000 1.091 223 I CB 1.673 39.633 38.000 -0.067 0.000 1.242 223 I HN 0.426 nan 8.210 nan 0.000 0.439 224 L N 6.980 128.224 121.223 0.035 0.000 2.280 224 L HA 0.432 4.772 4.340 -0.001 0.000 0.287 224 L C -0.301 176.648 176.870 0.132 0.000 1.023 224 L CA -0.139 54.722 54.840 0.036 0.000 0.819 224 L CB 1.320 43.345 42.059 -0.056 0.000 1.212 224 L HN 0.495 nan 8.230 nan 0.000 0.420 225 Q N 1.857 121.772 119.800 0.192 0.000 2.348 225 Q HA 0.435 4.775 4.340 -0.001 0.000 0.265 225 Q C 0.153 176.259 176.000 0.177 0.000 0.998 225 Q CA -0.477 55.511 55.803 0.307 0.000 0.831 225 Q CB 1.478 30.494 28.738 0.465 0.000 1.251 225 Q HN 0.638 nan 8.270 nan 0.000 0.456 226 S N 1.160 116.955 115.700 0.158 0.000 3.614 226 S HA -0.178 4.292 4.470 -0.001 0.000 0.360 226 S C -0.025 174.695 174.600 0.200 0.000 1.023 226 S CA 0.662 58.964 58.200 0.170 0.000 1.114 226 S CB -1.033 62.271 63.200 0.174 0.000 0.907 226 S HN 0.941 nan 8.310 nan 0.000 0.470 227 G N -0.408 108.456 108.800 0.106 0.000 2.616 227 G HA2 0.640 4.600 3.960 -0.001 0.000 0.294 227 G HA3 0.640 4.600 3.960 -0.001 0.000 0.294 227 G C -1.021 173.808 174.900 -0.118 0.000 1.489 227 G CA 0.204 45.362 45.100 0.098 0.000 0.836 227 G HN 1.190 nan 8.290 nan 0.000 0.527 228 S N 0.985 116.534 115.700 -0.252 0.000 2.547 228 S HA 0.751 5.221 4.470 -0.001 0.000 0.270 228 S C -2.262 172.024 174.600 -0.523 0.000 1.150 228 S CA -0.888 57.018 58.200 -0.491 0.000 0.850 228 S CB 2.693 65.585 63.200 -0.513 0.000 1.118 228 S HN 0.365 nan 8.310 nan 0.000 0.461 229 P HA -0.180 nan 4.420 nan 0.000 0.216 229 P C 0.667 177.722 177.300 -0.408 0.000 1.154 229 P CA 1.689 64.542 63.100 -0.412 0.000 0.865 229 P CB -0.455 31.054 31.700 -0.318 0.000 0.789 230 N N -1.005 117.485 118.700 -0.350 0.000 2.362 230 N HA -0.012 4.727 4.740 -0.001 0.000 0.211 230 N C -0.190 175.075 175.510 -0.407 0.000 1.170 230 N CA -0.235 52.639 53.050 -0.294 0.000 0.828 230 N CB -1.379 37.051 38.487 -0.095 0.000 1.034 230 N HN 0.037 nan 8.380 nan 0.000 0.475 231 C N 2.299 121.227 119.300 -0.619 0.000 2.637 231 C HA 0.157 4.617 4.460 -0.001 0.000 0.418 231 C C -0.487 173.973 174.990 -0.883 0.000 1.319 231 C CA -0.988 57.523 59.018 -0.844 0.000 1.949 231 C CB 1.146 28.133 27.740 -1.255 0.000 2.639 231 C HN 0.337 nan 8.230 nan 0.000 0.594 232 P HA -0.122 nan 4.420 nan 0.000 0.220 232 P C 1.058 178.171 177.300 -0.312 0.000 1.144 232 P CA 1.781 64.616 63.100 -0.441 0.000 0.800 232 P CB -0.096 31.355 31.700 -0.415 0.000 0.772 233 W N -2.346 118.815 121.300 -0.232 0.000 3.127 233 W HA 0.611 5.270 4.660 -0.000 0.000 0.344 233 W C 1.047 177.598 176.519 0.053 0.000 1.151 233 W CA 0.315 57.599 57.345 -0.101 0.000 1.765 233 W CB -0.931 28.472 29.460 -0.095 0.000 1.085 233 W HN -0.141 nan 8.180 nan 0.000 0.596 234 A N 1.544 123.958 122.820 -0.678 0.000 2.167 234 A HA 0.158 4.477 4.320 -0.001 0.000 0.214 234 A C 1.097 178.516 177.584 -0.276 0.000 1.151 234 A CA 1.290 53.056 52.037 -0.452 0.000 0.735 234 A CB -0.522 17.973 19.000 -0.841 0.000 0.802 234 A HN 0.244 nan 8.150 nan 0.000 0.467 235 S N -1.978 113.556 115.700 -0.276 0.000 2.643 235 S HA 0.680 5.149 4.470 -0.001 0.000 0.270 235 S C -0.880 173.603 174.600 -0.195 0.000 1.166 235 S CA -0.064 57.974 58.200 -0.271 0.000 0.815 235 S CB 1.353 64.332 63.200 -0.368 0.000 1.139 235 S HN 1.360 nan 8.310 nan 0.000 0.472 236 V N -1.208 118.604 119.914 -0.169 0.000 3.178 236 V HA 0.888 5.007 4.120 -0.001 0.000 0.302 236 V C 0.043 176.066 176.094 -0.118 0.000 1.262 236 V CA -0.487 61.738 62.300 -0.126 0.000 1.030 236 V CB 1.062 32.827 31.823 -0.097 0.000 1.074 236 V HN 1.517 nan 8.190 nan 0.000 0.438 237 S N 1.010 116.650 115.700 -0.100 0.000 2.600 237 S HA 0.347 4.817 4.470 -0.001 0.000 0.265 237 S C 1.435 175.985 174.600 -0.084 0.000 1.325 237 S CA 0.015 58.158 58.200 -0.095 0.000 1.002 237 S CB 1.311 64.466 63.200 -0.075 0.000 0.921 237 S HN 2.221 nan 8.310 nan 0.000 0.554 238 V N -0.635 119.213 119.914 -0.109 0.000 2.392 238 V HA -0.096 4.023 4.120 -0.001 0.000 0.249 238 V C 2.503 178.581 176.094 -0.027 0.000 1.059 238 V CA 1.943 64.182 62.300 -0.102 0.000 1.051 238 V CB -1.988 29.695 31.823 -0.234 0.000 0.658 238 V HN 1.028 nan 8.190 nan 0.000 0.455 239 A N 0.513 123.315 122.820 -0.030 0.000 1.858 239 A HA -0.228 4.091 4.320 -0.001 0.000 0.216 239 A C 2.218 179.787 177.584 -0.026 0.000 1.190 239 A CA 2.150 54.178 52.037 -0.015 0.000 0.617 239 A CB -0.828 18.161 19.000 -0.018 0.000 0.827 239 A HN 0.652 nan 8.150 nan 0.000 0.443 240 E N 0.150 120.324 120.200 -0.043 0.000 2.085 240 E HA -0.087 4.263 4.350 -0.001 0.000 0.194 240 E C 1.979 178.547 176.600 -0.054 0.000 0.994 240 E CA 1.709 58.072 56.400 -0.061 0.000 0.801 240 E CB -0.912 28.744 29.700 -0.074 0.000 0.743 240 E HN 0.412 nan 8.360 nan 0.000 0.453 241 G N 0.316 109.099 108.800 -0.030 0.000 2.422 241 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.218 241 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.218 241 G C 1.782 176.704 174.900 0.036 0.000 1.146 241 G CA 0.831 45.940 45.100 0.014 0.000 0.769 241 G HN 0.304 nan 8.290 nan 0.000 0.547 242 R N 0.106 120.618 120.500 0.021 0.000 2.062 242 R HA 0.031 4.371 4.340 -0.001 0.000 0.231 242 R C 2.607 178.910 176.300 0.005 0.000 1.136 242 R CA 1.156 57.268 56.100 0.021 0.000 0.948 242 R CB -0.383 29.932 30.300 0.025 0.000 0.845 242 R HN 0.225 nan 8.270 nan 0.000 0.430 243 R N 0.700 121.191 120.500 -0.015 0.000 2.112 243 R HA -0.194 4.145 4.340 -0.001 0.000 0.242 243 R C 2.173 178.452 176.300 -0.035 0.000 1.137 243 R CA 2.180 58.260 56.100 -0.033 0.000 0.944 243 R CB -0.229 30.037 30.300 -0.057 0.000 0.857 243 R HN 0.308 nan 8.270 nan 0.000 0.435 244 R N -0.469 120.002 120.500 -0.049 0.000 2.115 244 R HA -0.062 4.277 4.340 -0.001 0.000 0.230 244 R C 2.288 178.630 176.300 0.070 0.000 1.111 244 R CA 1.128 57.188 56.100 -0.067 0.000 0.976 244 R CB -0.246 29.936 30.300 -0.196 0.000 0.870 244 R HN 0.285 nan 8.270 nan 0.000 0.445 245 A N 0.760 123.647 122.820 0.112 0.000 1.898 245 A HA -0.077 4.243 4.320 -0.001 0.000 0.216 245 A C 2.353 179.958 177.584 0.034 0.000 1.181 245 A CA 1.066 53.171 52.037 0.113 0.000 0.620 245 A CB -0.436 18.577 19.000 0.021 0.000 0.819 245 A HN 0.083 nan 8.150 nan 0.000 0.442 246 V N -0.007 119.915 119.914 0.014 0.000 2.261 246 V HA -0.243 3.876 4.120 -0.001 0.000 0.246 246 V C 2.618 178.718 176.094 0.010 0.000 1.047 246 V CA 2.441 64.742 62.300 0.002 0.000 1.015 246 V CB -0.730 31.091 31.823 -0.004 0.000 0.642 246 V HN 0.626 nan 8.190 nan 0.000 0.446 247 E N 0.068 120.273 120.200 0.009 0.000 2.097 247 E HA -0.260 4.090 4.350 -0.001 0.000 0.196 247 E C 1.933 178.552 176.600 0.032 0.000 1.000 247 E CA 1.520 57.925 56.400 0.007 0.000 0.804 247 E CB -0.551 29.138 29.700 -0.018 0.000 0.740 247 E HN 0.459 nan 8.360 nan 0.000 0.454 248 L N -0.399 120.865 121.223 0.068 0.000 2.046 248 L HA -0.032 4.307 4.340 -0.001 0.000 0.208 248 L C 2.148 179.047 176.870 0.048 0.000 1.077 248 L CA 2.379 57.276 54.840 0.095 0.000 0.747 248 L CB -0.968 41.203 42.059 0.187 0.000 0.896 248 L HN 0.220 nan 8.230 nan 0.000 0.432 249 G N -0.958 107.856 108.800 0.025 0.000 2.418 249 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.217 249 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.217 249 G C 1.786 176.701 174.900 0.025 0.000 1.158 249 G CA 0.800 45.910 45.100 0.016 0.000 0.771 249 G HN 0.407 nan 8.290 nan 0.000 0.545 250 R N 0.435 120.949 120.500 0.023 0.000 2.083 250 R HA -0.070 4.270 4.340 -0.001 0.000 0.237 250 R C 2.286 178.603 176.300 0.029 0.000 1.137 250 R CA 1.526 57.639 56.100 0.022 0.000 0.951 250 R CB -0.346 29.963 30.300 0.015 0.000 0.851 250 R HN 0.324 nan 8.270 nan 0.000 0.434 251 N N 0.141 118.862 118.700 0.036 0.000 2.443 251 N HA -0.130 4.610 4.740 -0.001 0.000 0.184 251 N C 0.863 176.402 175.510 0.048 0.000 1.037 251 N CA 0.904 53.980 53.050 0.044 0.000 0.896 251 N CB 0.152 38.672 38.487 0.055 0.000 0.959 251 N HN 0.290 nan 8.380 nan 0.000 0.442 252 L N -0.082 121.168 121.223 0.046 0.000 2.857 252 L HA 0.201 4.541 4.340 -0.001 0.000 0.249 252 L C -0.483 176.415 176.870 0.045 0.000 1.172 252 L CA -0.085 54.784 54.840 0.049 0.000 0.980 252 L CB -0.128 41.962 42.059 0.052 0.000 1.299 252 L HN 0.005 nan 8.230 nan 0.000 0.535 253 N N -0.919 117.805 118.700 0.039 0.000 2.746 253 N HA -0.170 4.570 4.740 -0.001 0.000 0.250 253 N C -0.454 175.079 175.510 0.038 0.000 1.055 253 N CA 0.158 53.229 53.050 0.036 0.000 0.699 253 N CB -1.403 37.106 38.487 0.036 0.000 0.919 253 N HN 0.251 nan 8.380 nan 0.000 0.548 254 c N 0.768 119.390 118.600 0.037 0.000 2.365 254 c HA 0.316 4.886 4.570 -0.001 0.000 0.351 254 c C 1.087 175.196 174.090 0.032 0.000 1.240 254 c CA -1.096 55.258 56.329 0.042 0.000 2.062 254 c CB 0.874 43.408 42.510 0.040 0.000 2.387 254 c HN 0.466 nan 8.230 nan 0.000 0.537 255 N N 2.088 120.808 118.700 0.033 0.000 2.411 255 N HA 0.024 4.763 4.740 -0.001 0.000 0.261 255 N C 0.027 175.547 175.510 0.017 0.000 1.248 255 N CA 0.513 53.575 53.050 0.020 0.000 0.885 255 N CB 0.424 38.918 38.487 0.012 0.000 1.062 255 N HN 0.654 nan 8.380 nan 0.000 0.471 256 L N 2.776 124.006 121.223 0.011 0.000 2.910 256 L HA 0.085 4.425 4.340 -0.001 0.000 0.252 256 L C 1.434 178.306 176.870 0.004 0.000 1.195 256 L CA -0.159 54.685 54.840 0.007 0.000 1.003 256 L CB -0.235 41.827 42.059 0.006 0.000 1.328 256 L HN 0.410 nan 8.230 nan 0.000 0.540 257 N N -0.283 118.419 118.700 0.003 0.000 2.457 257 N HA -0.010 4.729 4.740 -0.001 0.000 0.180 257 N C 0.571 176.081 175.510 -0.000 0.000 1.050 257 N CA 0.711 53.761 53.050 0.001 0.000 0.906 257 N CB 0.409 38.896 38.487 -0.001 0.000 0.968 257 N HN 0.584 nan 8.380 nan 0.000 0.445 258 S N -1.729 113.972 115.700 0.001 0.000 2.547 258 S HA 0.365 4.835 4.470 -0.001 0.000 0.270 258 S C -0.461 174.139 174.600 0.001 0.000 1.150 258 S CA -0.793 57.407 58.200 0.000 0.000 0.850 258 S CB 1.363 64.563 63.200 -0.000 0.000 1.118 258 S HN -0.074 nan 8.310 nan 0.000 0.461 259 D N 1.356 121.754 120.400 -0.002 0.000 2.133 259 D HA -0.111 4.528 4.640 -0.001 0.000 0.195 259 D C 1.544 177.848 176.300 0.007 0.000 0.997 259 D CA 2.106 56.102 54.000 -0.007 0.000 0.840 259 D CB -0.226 40.566 40.800 -0.013 0.000 0.947 259 D HN 0.742 nan 8.370 nan 0.000 0.452 260 E N 0.733 120.944 120.200 0.018 0.000 2.085 260 E HA -0.144 4.206 4.350 -0.001 0.000 0.194 260 E C 2.062 178.697 176.600 0.058 0.000 0.994 260 E CA 0.924 57.348 56.400 0.039 0.000 0.801 260 E CB -0.139 29.576 29.700 0.025 0.000 0.743 260 E HN 0.360 nan 8.360 nan 0.000 0.453 261 E N 0.272 120.491 120.200 0.031 0.000 2.047 261 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 261 E C 2.197 178.838 176.600 0.069 0.000 0.987 261 E CA 0.573 56.991 56.400 0.031 0.000 0.799 261 E CB -0.369 29.334 29.700 0.004 0.000 0.752 261 E HN 0.159 nan 8.360 nan 0.000 0.449 262 L N 1.469 122.716 121.223 0.040 0.000 1.956 262 L HA -0.195 4.144 4.340 -0.001 0.000 0.216 262 L C 2.322 179.216 176.870 0.040 0.000 1.073 262 L CA 1.664 56.520 54.840 0.026 0.000 0.762 262 L CB -0.689 41.364 42.059 -0.009 0.000 0.889 262 L HN 0.041 nan 8.230 nan 0.000 0.433 263 I N -1.113 119.475 120.570 0.031 0.000 2.226 263 I HA -0.350 3.820 4.170 -0.001 0.000 0.245 263 I C 2.530 178.746 176.117 0.164 0.000 1.100 263 I CA 1.695 63.028 61.300 0.055 0.000 1.374 263 I CB -0.478 37.548 38.000 0.044 0.000 1.057 263 I HN 0.525 nan 8.210 nan 0.000 0.413 264 H N -0.177 118.934 119.070 0.068 0.000 2.352 264 H HA -0.264 4.291 4.556 -0.001 0.000 0.299 264 H C 2.460 177.835 175.328 0.078 0.000 1.097 264 H CA 2.264 58.356 56.048 0.073 0.000 1.311 264 H CB -0.212 29.578 29.762 0.047 0.000 1.377 264 H HN 0.489 nan 8.280 nan 0.000 0.504 265 c N 0.335 119.089 118.600 0.257 0.000 2.413 265 c HA -0.164 4.405 4.570 -0.001 0.000 0.278 265 c C 2.751 176.903 174.090 0.104 0.000 1.224 265 c CA 1.403 57.841 56.329 0.182 0.000 1.732 265 c CB -1.406 41.184 42.510 0.132 0.000 2.050 265 c HN 0.710 nan 8.230 nan 0.000 0.463 266 L N 0.352 121.649 121.223 0.124 0.000 2.127 266 L HA -0.144 4.196 4.340 -0.001 0.000 0.211 266 L C 3.008 180.011 176.870 0.223 0.000 1.089 266 L CA 1.495 56.444 54.840 0.182 0.000 0.757 266 L CB -0.732 41.428 42.059 0.168 0.000 0.899 266 L HN 0.406 nan 8.230 nan 0.000 0.434 267 R N -0.237 120.366 120.500 0.172 0.000 2.148 267 R HA -0.086 4.254 4.340 -0.001 0.000 0.223 267 R C 1.846 178.100 176.300 -0.077 0.000 1.088 267 R CA 0.737 56.840 56.100 0.006 0.000 0.985 267 R CB -0.023 30.255 30.300 -0.037 0.000 0.880 267 R HN 0.395 nan 8.270 nan 0.000 0.451 268 E N 0.752 120.898 120.200 -0.090 0.000 2.318 268 E HA 0.029 4.379 4.350 -0.001 0.000 0.193 268 E C 0.194 176.794 176.600 0.000 0.000 0.998 268 E CA 0.490 56.844 56.400 -0.077 0.000 0.859 268 E CB 0.244 29.892 29.700 -0.087 0.000 0.812 268 E HN 0.230 nan 8.360 nan 0.000 0.492 269 K N 2.035 122.455 120.400 0.034 0.000 2.270 269 K HA 0.170 4.489 4.320 -0.001 0.000 0.276 269 K C 0.502 177.145 176.600 0.071 0.000 1.023 269 K CA -0.217 56.104 56.287 0.057 0.000 0.955 269 K CB 1.110 33.652 32.500 0.070 0.000 0.975 269 K HN -0.126 nan 8.250 nan 0.000 0.471 270 K N 2.406 122.852 120.400 0.076 0.000 2.380 270 K HA -0.007 4.312 4.320 -0.001 0.000 0.267 270 K C -1.784 174.913 176.600 0.163 0.000 0.990 270 K CA -1.305 55.037 56.287 0.092 0.000 0.946 270 K CB 0.000 32.545 32.500 0.074 0.000 0.937 270 K HN 0.260 nan 8.250 nan 0.000 0.491 271 P HA -0.238 nan 4.420 nan 0.000 0.215 271 P C 1.333 178.863 177.300 0.384 0.000 1.163 271 P CA 1.386 64.740 63.100 0.424 0.000 0.894 271 P CB 0.197 31.967 31.700 0.116 0.000 0.791 272 Q N 0.225 120.155 119.800 0.218 0.000 2.197 272 Q HA -0.209 4.131 4.340 -0.001 0.000 0.207 272 Q C 1.957 178.064 176.000 0.178 0.000 0.984 272 Q CA 1.714 57.630 55.803 0.189 0.000 0.869 272 Q CB -0.872 27.941 28.738 0.125 0.000 0.906 272 Q HN 0.395 nan 8.270 nan 0.000 0.426 273 E N -0.696 119.595 120.200 0.152 0.000 2.110 273 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 273 E C 1.920 178.591 176.600 0.118 0.000 0.988 273 E CA 1.171 57.643 56.400 0.121 0.000 0.804 273 E CB -0.135 29.624 29.700 0.098 0.000 0.745 273 E HN 0.330 nan 8.360 nan 0.000 0.458 274 L N 0.768 122.057 121.223 0.111 0.000 2.109 274 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 274 L C 2.372 179.298 176.870 0.094 0.000 1.086 274 L CA 0.906 55.765 54.840 0.032 0.000 0.760 274 L CB -0.232 41.721 42.059 -0.176 0.000 0.910 274 L HN 0.112 nan 8.230 nan 0.000 0.437 275 I N -0.424 120.260 120.570 0.190 0.000 2.202 275 I HA -0.263 3.906 4.170 -0.001 0.000 0.242 275 I C 1.991 178.281 176.117 0.289 0.000 1.091 275 I CA 1.086 62.551 61.300 0.275 0.000 1.368 275 I CB -0.578 37.635 38.000 0.355 0.000 1.058 275 I HN 0.252 nan 8.210 nan 0.000 0.410 276 D N 0.855 121.401 120.400 0.242 0.000 2.158 276 D HA -0.146 4.494 4.640 -0.001 0.000 0.197 276 D C 1.937 178.366 176.300 0.215 0.000 0.995 276 D CA 1.618 55.755 54.000 0.228 0.000 0.846 276 D CB -0.092 40.807 40.800 0.165 0.000 0.941 276 D HN 0.391 nan 8.370 nan 0.000 0.456 277 V N -2.130 117.890 119.914 0.176 0.000 3.578 277 V HA 0.184 4.303 4.120 -0.001 0.000 0.290 277 V C 1.812 177.993 176.094 0.146 0.000 1.376 277 V CA 0.071 62.462 62.300 0.152 0.000 1.083 277 V CB 0.143 32.033 31.823 0.111 0.000 0.911 277 V HN -0.021 nan 8.190 nan 0.000 0.433 278 E N 0.793 121.078 120.200 0.142 0.000 2.147 278 E HA -0.262 4.088 4.350 -0.001 0.000 0.199 278 E C 1.513 178.023 176.600 -0.150 0.000 1.005 278 E CA 2.503 58.928 56.400 0.042 0.000 0.810 278 E CB -0.144 29.530 29.700 -0.043 0.000 0.736 278 E HN 0.827 nan 8.360 nan 0.000 0.460 279 W N 0.463 121.756 121.300 -0.012 0.000 3.139 279 W HA 0.099 4.759 4.660 -0.001 0.000 0.260 279 W C 1.374 177.854 176.519 -0.065 0.000 1.312 279 W CA -0.221 57.076 57.345 -0.080 0.000 1.606 279 W CB 0.185 29.564 29.460 -0.134 0.000 1.118 279 W HN 0.053 nan 8.180 nan 0.000 0.675 280 N N 0.214 119.002 118.700 0.147 0.000 2.521 280 N HA -0.083 4.657 4.740 -0.001 0.000 0.188 280 N C 1.724 177.244 175.510 0.016 0.000 1.146 280 N CA 1.234 54.334 53.050 0.083 0.000 0.893 280 N CB -0.466 38.070 38.487 0.081 0.000 0.975 280 N HN 0.257 nan 8.380 nan 0.000 0.451 281 V N -2.415 117.478 119.914 -0.035 0.000 3.590 281 V HA 0.243 4.363 4.120 -0.001 0.000 0.265 281 V C 0.882 176.885 176.094 -0.151 0.000 1.239 281 V CA -0.101 62.140 62.300 -0.099 0.000 1.117 281 V CB -0.544 31.193 31.823 -0.144 0.000 0.818 281 V HN -0.030 nan 8.190 nan 0.000 0.451 282 L N 1.938 123.085 121.223 -0.127 0.000 2.516 282 L HA 0.148 4.488 4.340 -0.001 0.000 0.288 282 L C -0.516 176.247 176.870 -0.178 0.000 1.246 282 L CA -0.430 54.329 54.840 -0.134 0.000 0.844 282 L CB 0.335 42.376 42.059 -0.030 0.000 1.106 282 L HN 0.185 nan 8.230 nan 0.000 0.509 283 P HA 0.083 nan 4.420 nan 0.000 0.251 283 P C -0.488 176.331 177.300 -0.802 0.000 1.223 283 P CA 0.710 63.453 63.100 -0.596 0.000 0.796 283 P CB 0.356 31.552 31.700 -0.841 0.000 1.068 284 F N -0.806 119.142 119.950 -0.003 0.000 2.662 284 F HA 0.350 4.876 4.527 -0.001 0.000 0.312 284 F C -0.035 175.770 175.800 0.009 0.000 1.113 284 F CA -1.547 56.457 58.000 0.007 0.000 0.951 284 F CB 0.319 39.328 39.000 0.017 0.000 1.344 284 F HN -0.393 nan 8.300 nan 0.000 0.462 285 D N 1.401 121.945 120.400 0.239 0.000 2.336 285 D HA 0.479 5.119 4.640 -0.001 0.000 0.249 285 D C -0.765 175.606 176.300 0.118 0.000 1.213 285 D CA 0.460 54.535 54.000 0.124 0.000 0.870 285 D CB 0.397 41.247 40.800 0.083 0.000 1.076 285 D HN 0.635 nan 8.370 nan 0.000 0.483 286 S N 2.501 118.258 115.700 0.095 0.000 2.615 286 S HA 0.652 5.121 4.470 -0.001 0.000 0.269 286 S C -0.487 174.134 174.600 0.036 0.000 1.161 286 S CA -1.085 57.157 58.200 0.070 0.000 0.817 286 S CB 0.533 63.804 63.200 0.117 0.000 1.131 286 S HN 0.480 nan 8.310 nan 0.000 0.467 287 I N -2.359 118.226 120.570 0.025 0.000 2.646 287 I HA 0.852 5.022 4.170 -0.001 0.000 0.299 287 I C -0.460 175.656 176.117 -0.002 0.000 1.036 287 I CA -0.934 60.374 61.300 0.013 0.000 1.074 287 I CB 1.317 39.339 38.000 0.038 0.000 1.258 287 I HN 0.787 nan 8.210 nan 0.000 0.430 288 F N 2.423 122.162 119.950 -0.351 0.000 3.023 288 F HA -0.140 4.387 4.527 -0.001 0.000 0.297 288 F C -0.510 174.782 175.800 -0.846 0.000 0.858 288 F CA 0.389 57.914 58.000 -0.792 0.000 1.222 288 F CB -0.898 37.642 39.000 -0.767 0.000 1.263 288 F HN 0.687 nan 8.300 nan 0.000 0.565 289 R N 0.682 120.802 120.500 -0.635 0.000 2.532 289 R HA 0.678 5.018 4.340 -0.001 0.000 0.297 289 R C -1.118 174.797 176.300 -0.642 0.000 0.984 289 R CA -0.713 55.097 56.100 -0.484 0.000 0.884 289 R CB 0.787 31.026 30.300 -0.101 0.000 1.182 289 R HN -0.039 nan 8.270 nan 0.000 0.442 290 F N -0.158 119.904 119.950 0.185 0.000 2.522 290 F HA 0.430 4.957 4.527 -0.001 0.000 0.324 290 F C 1.673 177.389 175.800 -0.139 0.000 1.077 290 F CA -0.768 57.256 58.000 0.040 0.000 0.944 290 F CB 1.817 40.964 39.000 0.245 0.000 1.175 290 F HN 0.387 nan 8.300 nan 0.000 0.468 291 S N 0.871 116.423 115.700 -0.248 0.000 2.344 291 S HA -0.033 4.437 4.470 -0.001 0.000 0.217 291 S C 0.152 174.373 174.600 -0.633 0.000 1.033 291 S CA 1.207 59.086 58.200 -0.534 0.000 1.017 291 S CB -0.215 62.517 63.200 -0.779 0.000 0.941 291 S HN 0.331 nan 8.310 nan 0.000 0.430 292 F N 1.735 121.691 119.950 0.009 0.000 2.361 292 F HA 0.509 5.036 4.527 -0.001 0.000 0.364 292 F C 0.052 175.860 175.800 0.013 0.000 1.117 292 F CA -0.885 57.154 58.000 0.064 0.000 1.071 292 F CB 1.009 40.089 39.000 0.132 0.000 1.188 292 F HN -0.076 nan 8.300 nan 0.000 0.464 293 V N 1.076 120.986 119.914 -0.007 0.000 3.141 293 V HA 0.741 4.860 4.120 -0.001 0.000 0.312 293 V C -2.810 173.041 176.094 -0.406 0.000 1.157 293 V CA -3.388 58.624 62.300 -0.481 0.000 1.041 293 V CB 1.811 33.495 31.823 -0.231 0.000 1.071 293 V HN 0.292 nan 8.190 nan 0.000 0.441 294 P HA 0.156 nan 4.420 nan 0.000 0.266 294 P C -0.451 176.784 177.300 -0.108 0.000 1.180 294 P CA 0.398 63.362 63.100 -0.227 0.000 0.765 294 P CB 0.222 31.720 31.700 -0.336 0.000 0.806 295 V N 0.891 120.816 119.914 0.018 0.000 2.628 295 V HA 0.424 4.543 4.120 -0.001 0.000 0.306 295 V C 0.102 176.211 176.094 0.024 0.000 1.045 295 V CA -0.869 61.421 62.300 -0.017 0.000 0.905 295 V CB 1.762 33.586 31.823 0.002 0.000 0.997 295 V HN 0.184 nan 8.190 nan 0.000 0.436 296 I N 5.018 125.537 120.570 -0.084 0.000 2.268 296 I HA 0.170 4.340 4.170 -0.001 0.000 0.298 296 I C 1.116 177.214 176.117 -0.031 0.000 1.185 296 I CA -0.013 61.254 61.300 -0.056 0.000 1.548 296 I CB -0.619 37.280 38.000 -0.169 0.000 1.492 296 I HN 0.947 nan 8.210 nan 0.000 0.711 297 D N 2.641 123.070 120.400 0.048 0.000 2.347 297 D HA -0.004 4.635 4.640 -0.001 0.000 0.213 297 D C 1.492 177.803 176.300 0.019 0.000 0.985 297 D CA 0.896 54.828 54.000 -0.113 0.000 0.879 297 D CB 0.305 41.148 40.800 0.072 0.000 0.919 297 D HN 0.588 nan 8.370 nan 0.000 0.526 298 G N 0.310 109.184 108.800 0.124 0.000 2.179 298 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.260 298 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.260 298 G C 0.873 175.855 174.900 0.136 0.000 0.977 298 G CA 0.647 45.822 45.100 0.125 0.000 0.641 298 G HN 0.467 nan 8.290 nan 0.000 0.533 299 E N -1.345 118.954 120.200 0.164 0.000 2.175 299 E HA 0.451 4.801 4.350 -0.001 0.000 0.193 299 E C 1.793 178.442 176.600 0.081 0.000 0.962 299 E CA 0.016 56.491 56.400 0.126 0.000 0.981 299 E CB -0.058 29.736 29.700 0.156 0.000 1.093 299 E HN 0.220 nan 8.360 nan 0.000 0.483 300 F N 0.329 120.231 119.950 -0.081 0.000 2.186 300 F HA 0.049 4.576 4.527 -0.001 0.000 0.299 300 F C -0.018 175.509 175.800 -0.455 0.000 1.090 300 F CA 0.984 58.804 58.000 -0.300 0.000 1.307 300 F CB 0.340 39.092 39.000 -0.414 0.000 1.019 300 F HN -0.108 nan 8.300 nan 0.000 0.489 301 F N 0.779 120.878 119.950 0.248 0.000 2.403 301 F HA 0.359 4.885 4.527 -0.001 0.000 0.355 301 F C -1.581 174.264 175.800 0.075 0.000 1.119 301 F CA -2.732 55.356 58.000 0.147 0.000 1.007 301 F CB 0.677 39.753 39.000 0.126 0.000 1.194 301 F HN -0.252 nan 8.300 nan 0.000 0.443 302 P HA -0.132 nan 4.420 nan 0.000 0.216 302 P C 0.310 177.679 177.300 0.116 0.000 1.157 302 P CA 1.988 65.154 63.100 0.110 0.000 0.880 302 P CB 0.155 31.897 31.700 0.070 0.000 0.791 303 T N -7.037 107.598 114.554 0.135 0.000 2.637 303 T HA 0.361 4.710 4.350 -0.001 0.000 0.303 303 T C -0.489 174.252 174.700 0.068 0.000 1.288 303 T CA -0.610 61.542 62.100 0.086 0.000 1.040 303 T CB 0.391 69.291 68.868 0.054 0.000 1.644 303 T HN -0.002 nan 8.240 nan 0.000 0.480 304 S N 0.189 115.903 115.700 0.022 0.000 2.573 304 S HA 0.074 4.543 4.470 -0.001 0.000 0.297 304 S C 1.432 176.031 174.600 -0.002 0.000 1.280 304 S CA -0.615 57.575 58.200 -0.017 0.000 1.061 304 S CB -0.557 62.636 63.200 -0.012 0.000 0.812 304 S HN 0.648 nan 8.310 nan 0.000 0.500 305 L N 1.656 122.841 121.223 -0.063 0.000 2.042 305 L HA -0.127 4.212 4.340 -0.001 0.000 0.210 305 L C 2.900 179.809 176.870 0.065 0.000 1.076 305 L CA 2.037 56.863 54.840 -0.024 0.000 0.749 305 L CB -0.755 41.228 42.059 -0.128 0.000 0.893 305 L HN 0.804 nan 8.230 nan 0.000 0.432 306 E N 0.559 120.793 120.200 0.057 0.000 2.077 306 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 306 E C 2.193 178.865 176.600 0.120 0.000 0.989 306 E CA 1.804 58.276 56.400 0.119 0.000 0.800 306 E CB -0.041 29.720 29.700 0.100 0.000 0.746 306 E HN 0.472 nan 8.360 nan 0.000 0.452 307 S N -0.034 115.716 115.700 0.083 0.000 2.383 307 S HA -0.160 4.309 4.470 -0.001 0.000 0.227 307 S C 2.111 176.764 174.600 0.088 0.000 1.026 307 S CA 1.364 59.610 58.200 0.076 0.000 0.981 307 S CB -0.381 62.848 63.200 0.048 0.000 0.818 307 S HN 0.242 nan 8.310 nan 0.000 0.472 308 M N 1.055 120.723 119.600 0.113 0.000 2.108 308 M HA -0.033 4.446 4.480 -0.001 0.000 0.261 308 M C 2.146 178.600 176.300 0.256 0.000 1.066 308 M CA 1.405 56.797 55.300 0.154 0.000 1.107 308 M CB -0.759 31.965 32.600 0.207 0.000 1.356 308 M HN 0.264 nan 8.290 nan 0.000 0.406 309 L N -0.016 121.368 121.223 0.268 0.000 2.027 309 L HA -0.224 4.116 4.340 -0.001 0.000 0.206 309 L C 2.248 179.305 176.870 0.311 0.000 1.074 309 L CA 1.032 56.066 54.840 0.324 0.000 0.745 309 L CB -0.777 41.393 42.059 0.185 0.000 0.898 309 L HN 0.316 nan 8.230 nan 0.000 0.433 310 N N -0.323 118.498 118.700 0.201 0.000 2.166 310 N HA -0.146 4.594 4.740 -0.001 0.000 0.186 310 N C 1.799 177.408 175.510 0.165 0.000 1.019 310 N CA 1.668 54.832 53.050 0.191 0.000 0.856 310 N CB -0.193 38.374 38.487 0.133 0.000 0.993 310 N HN 0.344 nan 8.380 nan 0.000 0.426 311 S N -1.256 114.448 115.700 0.006 0.000 2.597 311 S HA 0.304 4.774 4.470 -0.001 0.000 0.224 311 S C 1.150 175.360 174.600 -0.649 0.000 0.955 311 S CA 0.233 58.334 58.200 -0.166 0.000 0.933 311 S CB 0.026 63.160 63.200 -0.109 0.000 0.788 311 S HN 0.375 nan 8.310 nan 0.000 0.488 312 G N 2.230 110.430 108.800 -0.999 0.000 2.225 312 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.267 312 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.267 312 G C -0.007 174.091 174.900 -1.336 0.000 1.024 312 G CA 0.187 44.114 45.100 -1.955 0.000 0.784 312 G HN 0.652 nan 8.290 nan 0.000 0.507 313 N N 0.462 118.792 118.700 -0.616 0.000 2.968 313 N HA 0.516 5.256 4.740 -0.001 0.000 0.271 313 N C -0.187 175.279 175.510 -0.072 0.000 1.174 313 N CA -0.320 52.540 53.050 -0.318 0.000 1.096 313 N CB -0.778 37.642 38.487 -0.112 0.000 1.403 313 N HN 0.711 nan 8.380 nan 0.000 0.522 314 F N -0.768 119.148 119.950 -0.056 0.000 2.770 314 F HA 0.359 4.886 4.527 -0.000 0.000 0.313 314 F C -0.474 175.357 175.800 0.052 0.000 1.154 314 F CA -1.553 56.483 58.000 0.059 0.000 0.923 314 F CB 0.465 39.573 39.000 0.180 0.000 1.301 314 F HN -0.008 nan 8.300 nan 0.000 0.449 315 K N 1.915 122.550 120.400 0.391 0.000 2.447 315 K HA 0.265 4.585 4.320 -0.001 0.000 0.281 315 K C -1.009 175.826 176.600 0.392 0.000 1.031 315 K CA -0.192 56.237 56.287 0.236 0.000 1.019 315 K CB 0.604 33.177 32.500 0.122 0.000 0.918 315 K HN 0.635 nan 8.250 nan 0.000 0.476 316 K N 2.973 123.479 120.400 0.177 0.000 2.262 316 K HA 0.213 4.533 4.320 -0.001 0.000 0.282 316 K C -0.385 176.326 176.600 0.186 0.000 1.066 316 K CA -0.097 56.292 56.287 0.171 0.000 0.901 316 K CB 1.653 34.160 32.500 0.011 0.000 1.089 316 K HN 0.823 nan 8.250 nan 0.000 0.476 317 T N 1.480 116.225 114.554 0.318 0.000 2.646 317 T HA 0.306 4.655 4.350 -0.001 0.000 0.297 317 T C -1.533 173.363 174.700 0.327 0.000 1.363 317 T CA -0.657 61.589 62.100 0.243 0.000 1.056 317 T CB 0.472 69.448 68.868 0.181 0.000 1.779 317 T HN 0.359 nan 8.240 nan 0.000 0.459 318 Q N 0.952 120.915 119.800 0.272 0.000 2.282 318 Q HA 0.751 5.090 4.340 -0.001 0.000 0.260 318 Q C -0.703 175.585 176.000 0.481 0.000 0.964 318 Q CA -0.444 55.578 55.803 0.366 0.000 0.880 318 Q CB 1.397 30.317 28.738 0.303 0.000 1.286 318 Q HN 0.672 nan 8.270 nan 0.000 0.445 319 I N -1.196 119.623 120.570 0.415 0.000 2.686 319 I HA 0.656 4.826 4.170 -0.001 0.000 0.295 319 I C -1.360 174.711 176.117 -0.077 0.000 1.114 319 I CA -1.225 60.185 61.300 0.184 0.000 1.038 319 I CB 1.821 39.760 38.000 -0.102 0.000 1.238 319 I HN 0.543 nan 8.210 nan 0.000 0.420 320 L N 6.989 127.938 121.223 -0.456 0.000 2.343 320 L HA 0.795 5.135 4.340 -0.001 0.000 0.278 320 L C -1.204 175.507 176.870 -0.264 0.000 0.996 320 L CA -0.524 53.933 54.840 -0.638 0.000 0.831 320 L CB 1.283 42.424 42.059 -1.530 0.000 1.232 320 L HN 0.843 nan 8.230 nan 0.000 0.413 321 L N 2.449 123.635 121.223 -0.061 0.000 2.409 321 L HA 1.125 5.464 4.340 -0.001 0.000 0.255 321 L C -0.688 176.039 176.870 -0.238 0.000 1.027 321 L CA -0.513 54.309 54.840 -0.031 0.000 0.834 321 L CB 2.063 44.093 42.059 -0.048 0.000 1.426 321 L HN 0.630 nan 8.230 nan 0.000 0.411 322 G N -0.009 108.445 108.800 -0.575 0.000 2.550 322 G HA2 0.616 4.576 3.960 -0.001 0.000 0.293 322 G HA3 0.616 4.576 3.960 -0.001 0.000 0.293 322 G C -1.517 173.069 174.900 -0.523 0.000 1.402 322 G CA -0.024 44.347 45.100 -1.215 0.000 0.784 322 G HN 1.286 nan 8.290 nan 0.000 0.482 323 V N -2.401 117.343 119.914 -0.284 0.000 3.130 323 V HA 0.821 4.941 4.120 -0.001 0.000 0.310 323 V C -1.137 175.039 176.094 0.137 0.000 1.158 323 V CA -1.504 60.826 62.300 0.051 0.000 1.029 323 V CB 1.993 33.880 31.823 0.107 0.000 1.057 323 V HN 0.597 nan 8.190 nan 0.000 0.436 324 N N 1.386 120.185 118.700 0.166 0.000 2.473 324 N HA 0.405 5.144 4.740 -0.001 0.000 0.291 324 N C 0.627 176.127 175.510 -0.017 0.000 1.083 324 N CA -0.430 52.686 53.050 0.111 0.000 0.951 324 N CB 1.887 40.516 38.487 0.237 0.000 1.164 324 N HN 0.952 nan 8.380 nan 0.000 0.480 325 K N 0.748 120.982 120.400 -0.278 0.000 2.032 325 K HA -0.168 4.152 4.320 -0.001 0.000 0.218 325 K C -0.555 176.140 176.600 0.158 0.000 1.054 325 K CA 1.538 57.767 56.287 -0.096 0.000 0.941 325 K CB 0.087 32.532 32.500 -0.090 0.000 0.720 325 K HN 0.557 nan 8.250 nan 0.000 0.449 326 D N 1.274 121.754 120.400 0.134 0.000 2.557 326 D HA 0.031 4.671 4.640 -0.001 0.000 0.236 326 D C 0.381 176.791 176.300 0.184 0.000 1.154 326 D CA -0.025 54.072 54.000 0.161 0.000 0.985 326 D CB 1.277 42.150 40.800 0.122 0.000 1.010 326 D HN 0.226 nan 8.370 nan 0.000 0.516 327 E N 0.778 121.107 120.200 0.216 0.000 2.106 327 E HA -0.100 4.250 4.350 -0.001 0.000 0.192 327 E C 2.038 178.801 176.600 0.271 0.000 0.984 327 E CA 0.536 57.096 56.400 0.267 0.000 0.806 327 E CB 0.070 29.919 29.700 0.249 0.000 0.750 327 E HN 0.473 nan 8.360 nan 0.000 0.458 328 G N 1.753 110.694 108.800 0.235 0.000 2.404 328 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.215 328 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.215 328 G C 1.748 176.767 174.900 0.199 0.000 1.174 328 G CA 1.716 46.966 45.100 0.249 0.000 0.780 328 G HN 0.386 nan 8.290 nan 0.000 0.537 329 S N 1.153 116.929 115.700 0.125 0.000 2.426 329 S HA -0.403 4.066 4.470 -0.001 0.000 0.259 329 S C 2.041 176.583 174.600 -0.095 0.000 1.096 329 S CA 1.916 60.136 58.200 0.034 0.000 1.219 329 S CB -1.077 62.058 63.200 -0.109 0.000 1.124 329 S HN 0.415 nan 8.310 nan 0.000 0.436 330 F N 2.409 122.149 119.950 -0.350 0.000 2.063 330 F HA -0.209 4.318 4.527 -0.001 0.000 0.298 330 F C 1.969 177.398 175.800 -0.619 0.000 1.105 330 F CA 1.928 59.556 58.000 -0.619 0.000 1.215 330 F CB -0.665 37.773 39.000 -0.935 0.000 0.972 330 F HN 0.200 nan 8.300 nan 0.000 0.483 331 F N -0.245 119.592 119.950 -0.189 0.000 2.234 331 F HA -0.110 4.416 4.527 -0.001 0.000 0.299 331 F C 2.154 177.820 175.800 -0.223 0.000 1.087 331 F CA 0.943 58.781 58.000 -0.270 0.000 1.340 331 F CB -0.846 37.948 39.000 -0.344 0.000 1.031 331 F HN -0.032 nan 8.300 nan 0.000 0.500 332 L N -0.546 120.584 121.223 -0.155 0.000 2.005 332 L HA -0.177 4.163 4.340 -0.001 0.000 0.207 332 L C 2.454 179.082 176.870 -0.403 0.000 1.072 332 L CA 0.817 55.366 54.840 -0.486 0.000 0.744 332 L CB -0.774 40.637 42.059 -1.079 0.000 0.895 332 L HN 0.160 nan 8.230 nan 0.000 0.433 333 L N -1.474 119.657 121.223 -0.154 0.000 2.263 333 L HA -0.254 4.086 4.340 -0.001 0.000 0.216 333 L C 2.023 178.936 176.870 0.073 0.000 1.111 333 L CA 1.881 56.824 54.840 0.172 0.000 0.773 333 L CB -0.441 41.776 42.059 0.264 0.000 0.906 333 L HN 0.144 nan 8.230 nan 0.000 0.439 334 Y N -1.209 118.970 120.300 -0.201 0.000 2.503 334 Y HA 0.333 4.882 4.550 -0.001 0.000 0.277 334 Y C 2.241 178.054 175.900 -0.145 0.000 1.102 334 Y CA 0.663 58.639 58.100 -0.205 0.000 1.261 334 Y CB 0.295 38.515 38.460 -0.399 0.000 1.096 334 Y HN 0.183 nan 8.280 nan 0.000 0.546 335 G N -1.413 107.403 108.800 0.027 0.000 3.215 335 G HA2 0.413 4.373 3.960 -0.001 0.000 0.236 335 G HA3 0.413 4.373 3.960 -0.001 0.000 0.236 335 G C -0.086 174.837 174.900 0.037 0.000 1.029 335 G CA 0.345 45.448 45.100 0.005 0.000 0.909 335 G HN 0.230 nan 8.290 nan 0.000 0.543 336 A N 1.941 124.804 122.820 0.072 0.000 2.301 336 A HA 0.743 5.062 4.320 -0.001 0.000 0.298 336 A C -2.393 175.383 177.584 0.320 0.000 1.185 336 A CA -1.459 50.691 52.037 0.188 0.000 0.830 336 A CB 0.821 19.932 19.000 0.185 0.000 1.112 336 A HN 0.083 nan 8.150 nan 0.000 0.508 337 P HA 0.304 nan 4.420 nan 0.000 0.271 337 P C 0.830 178.140 177.300 0.016 0.000 1.216 337 P CA 1.267 64.426 63.100 0.099 0.000 0.771 337 P CB 1.217 32.942 31.700 0.042 0.000 0.864 338 G N 2.132 110.893 108.800 -0.065 0.000 2.259 338 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.217 338 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.217 338 G C -0.232 174.440 174.900 -0.380 0.000 1.001 338 G CA -0.551 44.393 45.100 -0.260 0.000 0.627 338 G HN 0.418 nan 8.290 nan 0.000 0.501 339 F N 2.646 122.527 119.950 -0.116 0.000 2.396 339 F HA 0.625 5.152 4.527 -0.001 0.000 0.343 339 F C 0.750 176.535 175.800 -0.025 0.000 1.104 339 F CA 0.100 58.007 58.000 -0.155 0.000 1.161 339 F CB 1.936 40.901 39.000 -0.057 0.000 1.146 339 F HN 0.130 nan 8.300 nan 0.000 0.522 340 S N 2.347 118.148 115.700 0.169 0.000 2.548 340 S HA 0.288 4.757 4.470 -0.001 0.000 0.276 340 S C 0.526 175.326 174.600 0.334 0.000 1.129 340 S CA -1.232 57.084 58.200 0.193 0.000 0.931 340 S CB 2.169 65.410 63.200 0.070 0.000 1.068 340 S HN 0.711 nan 8.310 nan 0.000 0.480 341 K N 0.797 121.356 120.400 0.266 0.000 2.103 341 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 341 K C -0.117 176.555 176.600 0.120 0.000 1.048 341 K CA 1.467 57.848 56.287 0.157 0.000 0.930 341 K CB -0.071 32.247 32.500 -0.303 0.000 0.716 341 K HN 0.568 nan 8.250 nan 0.000 0.444 342 D N 0.487 120.924 120.400 0.062 0.000 2.342 342 D HA 0.010 4.650 4.640 -0.001 0.000 0.221 342 D C 0.240 176.579 176.300 0.065 0.000 1.101 342 D CA 0.137 54.152 54.000 0.025 0.000 0.837 342 D CB 0.647 41.426 40.800 -0.035 0.000 0.938 342 D HN 0.182 nan 8.370 nan 0.000 0.508 343 S N -1.090 114.673 115.700 0.104 0.000 2.677 343 S HA 0.319 4.788 4.470 -0.001 0.000 0.304 343 S C 0.913 175.520 174.600 0.011 0.000 1.108 343 S CA -0.683 57.534 58.200 0.028 0.000 0.944 343 S CB 2.591 65.766 63.200 -0.042 0.000 1.127 343 S HN -0.147 nan 8.310 nan 0.000 0.511 344 E N 0.510 120.676 120.200 -0.058 0.000 2.338 344 E HA -0.006 4.344 4.350 -0.001 0.000 0.197 344 E C -0.196 176.159 176.600 -0.408 0.000 1.007 344 E CA 0.671 57.016 56.400 -0.092 0.000 0.849 344 E CB -0.174 29.494 29.700 -0.053 0.000 0.774 344 E HN 0.715 nan 8.360 nan 0.000 0.506 345 S N 0.411 115.821 115.700 -0.483 0.000 3.748 345 S HA -0.147 4.322 4.470 -0.001 0.000 0.329 345 S C -0.444 173.809 174.600 -0.579 0.000 1.104 345 S CA 0.529 58.298 58.200 -0.718 0.000 0.954 345 S CB -1.040 61.309 63.200 -1.420 0.000 0.910 345 S HN 0.252 nan 8.310 nan 0.000 0.494 346 K N 1.070 121.258 120.400 -0.353 0.000 2.416 346 K HA 0.241 4.561 4.320 -0.001 0.000 0.283 346 K C 0.274 176.694 176.600 -0.300 0.000 1.037 346 K CA 0.154 56.286 56.287 -0.258 0.000 0.995 346 K CB 0.366 32.770 32.500 -0.161 0.000 0.938 346 K HN 0.214 nan 8.250 nan 0.000 0.475 347 I N 2.637 123.040 120.570 -0.278 0.000 2.377 347 I HA 0.078 4.248 4.170 -0.001 0.000 0.293 347 I C 0.926 176.965 176.117 -0.131 0.000 0.987 347 I CA -0.396 60.747 61.300 -0.262 0.000 1.185 347 I CB 1.319 39.148 38.000 -0.285 0.000 1.341 347 I HN 0.703 nan 8.210 nan 0.000 0.455 348 S N 6.978 122.616 115.700 -0.104 0.000 2.634 348 S HA 0.350 4.820 4.470 -0.001 0.000 0.261 348 S C 1.150 175.749 174.600 -0.001 0.000 1.271 348 S CA -0.516 57.648 58.200 -0.061 0.000 0.985 348 S CB 1.412 64.581 63.200 -0.052 0.000 0.968 348 S HN 0.508 nan 8.310 nan 0.000 0.568 349 R N 0.647 121.140 120.500 -0.012 0.000 2.115 349 R HA 0.005 4.345 4.340 -0.001 0.000 0.226 349 R C 2.478 178.855 176.300 0.128 0.000 1.100 349 R CA 1.126 57.247 56.100 0.034 0.000 0.980 349 R CB -1.296 28.988 30.300 -0.028 0.000 0.875 349 R HN 0.795 nan 8.270 nan 0.000 0.445 350 E N 0.837 121.078 120.200 0.067 0.000 2.077 350 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 350 E C 1.499 178.140 176.600 0.069 0.000 0.989 350 E CA 1.461 57.900 56.400 0.064 0.000 0.800 350 E CB -0.248 29.471 29.700 0.031 0.000 0.746 350 E HN 0.395 nan 8.360 nan 0.000 0.452 351 D N -0.726 119.703 120.400 0.049 0.000 2.149 351 D HA -0.028 4.612 4.640 -0.001 0.000 0.201 351 D C 1.652 177.999 176.300 0.079 0.000 0.972 351 D CA 0.720 54.738 54.000 0.030 0.000 0.835 351 D CB -0.453 40.320 40.800 -0.044 0.000 0.966 351 D HN 0.321 nan 8.370 nan 0.000 0.476 352 F N 0.939 120.869 119.950 -0.033 0.000 2.069 352 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 352 F C 2.264 178.079 175.800 0.026 0.000 1.113 352 F CA 1.379 59.377 58.000 -0.003 0.000 1.214 352 F CB -0.308 38.673 39.000 -0.032 0.000 0.978 352 F HN -0.168 nan 8.300 nan 0.000 0.474 353 M N -0.305 119.414 119.600 0.199 0.000 2.358 353 M HA -0.192 4.287 4.480 -0.001 0.000 0.264 353 M C 2.130 178.412 176.300 -0.029 0.000 1.064 353 M CA 1.366 56.711 55.300 0.076 0.000 1.093 353 M CB -0.242 32.471 32.600 0.189 0.000 1.401 353 M HN 0.151 nan 8.290 nan 0.000 0.440 354 S N -0.517 115.176 115.700 -0.012 0.000 2.395 354 S HA 0.022 4.492 4.470 -0.001 0.000 0.225 354 S C 1.886 176.463 174.600 -0.038 0.000 1.027 354 S CA 1.051 59.245 58.200 -0.010 0.000 0.965 354 S CB -0.424 62.786 63.200 0.017 0.000 0.812 354 S HN 0.679 nan 8.310 nan 0.000 0.482 355 G N 1.755 110.514 108.800 -0.067 0.000 2.421 355 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.216 355 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.216 355 G C 1.653 176.461 174.900 -0.153 0.000 1.171 355 G CA 1.209 46.268 45.100 -0.067 0.000 0.775 355 G HN 0.530 nan 8.290 nan 0.000 0.543 356 V N -0.911 118.826 119.914 -0.294 0.000 2.490 356 V HA -0.014 4.106 4.120 -0.001 0.000 0.250 356 V C 2.309 178.327 176.094 -0.127 0.000 1.061 356 V CA 2.492 64.646 62.300 -0.245 0.000 1.064 356 V CB -0.390 31.251 31.823 -0.303 0.000 0.670 356 V HN 0.236 nan 8.190 nan 0.000 0.461 357 K N -0.198 120.143 120.400 -0.098 0.000 2.155 357 K HA 0.100 4.420 4.320 -0.001 0.000 0.203 357 K C 2.081 178.643 176.600 -0.064 0.000 1.052 357 K CA 1.535 57.779 56.287 -0.072 0.000 0.948 357 K CB -0.159 32.316 32.500 -0.042 0.000 0.728 357 K HN 0.546 nan 8.250 nan 0.000 0.448 358 L N 0.143 121.339 121.223 -0.045 0.000 2.313 358 L HA -0.071 4.268 4.340 -0.001 0.000 0.214 358 L C 2.191 179.049 176.870 -0.021 0.000 1.119 358 L CA 0.545 55.374 54.840 -0.018 0.000 0.809 358 L CB -0.015 42.045 42.059 0.002 0.000 0.933 358 L HN 0.022 nan 8.230 nan 0.000 0.449 359 S N -0.776 114.895 115.700 -0.049 0.000 2.377 359 S HA 0.000 4.470 4.470 -0.001 0.000 0.223 359 S C 0.990 175.522 174.600 -0.113 0.000 1.030 359 S CA 0.565 58.733 58.200 -0.054 0.000 0.970 359 S CB 0.256 63.411 63.200 -0.075 0.000 0.830 359 S HN 0.119 nan 8.310 nan 0.000 0.473 360 V N 3.453 123.275 119.914 -0.154 0.000 2.233 360 V HA 0.223 4.343 4.120 -0.001 0.000 0.261 360 V C -1.834 174.101 176.094 -0.264 0.000 1.076 360 V CA -1.386 60.756 62.300 -0.264 0.000 1.001 360 V CB 0.495 32.135 31.823 -0.305 0.000 1.206 360 V HN 0.222 nan 8.190 nan 0.000 0.468 361 P HA -0.195 nan 4.420 nan 0.000 0.218 361 P C 1.240 178.185 177.300 -0.591 0.000 1.148 361 P CA 1.641 64.560 63.100 -0.302 0.000 0.822 361 P CB 0.037 31.616 31.700 -0.201 0.000 0.784 362 H N -0.820 117.939 119.070 -0.518 0.000 2.548 362 H HA 0.392 4.948 4.556 -0.001 0.000 0.268 362 H C 0.700 175.877 175.328 -0.251 0.000 0.975 362 H CA -0.114 55.673 56.048 -0.436 0.000 1.195 362 H CB -1.050 28.586 29.762 -0.209 0.000 1.397 362 H HN -0.022 nan 8.280 nan 0.000 0.572 363 A N 2.560 125.023 122.820 -0.595 0.000 2.425 363 A HA 0.207 4.526 4.320 -0.001 0.000 0.249 363 A C 0.526 177.978 177.584 -0.219 0.000 1.084 363 A CA -0.221 51.582 52.037 -0.390 0.000 0.781 363 A CB 0.219 19.006 19.000 -0.356 0.000 1.019 363 A HN 0.681 nan 8.150 nan 0.000 0.490 364 N N 0.932 119.544 118.700 -0.148 0.000 2.418 364 N HA 0.150 4.889 4.740 -0.001 0.000 0.283 364 N C 0.376 175.847 175.510 -0.065 0.000 1.267 364 N CA 0.023 53.019 53.050 -0.090 0.000 0.975 364 N CB -0.304 38.144 38.487 -0.065 0.000 1.167 364 N HN 0.357 nan 8.380 nan 0.000 0.581 365 D N -0.969 119.409 120.400 -0.037 0.000 2.104 365 D HA -0.136 4.504 4.640 -0.001 0.000 0.194 365 D C 1.882 178.182 176.300 -0.002 0.000 0.994 365 D CA 1.163 55.155 54.000 -0.014 0.000 0.830 365 D CB -0.315 40.483 40.800 -0.004 0.000 0.959 365 D HN 0.428 nan 8.370 nan 0.000 0.452 366 L N 1.028 122.247 121.223 -0.007 0.000 2.012 366 L HA 0.016 4.355 4.340 -0.001 0.000 0.210 366 L C 2.696 179.579 176.870 0.021 0.000 1.073 366 L CA 2.196 57.042 54.840 0.010 0.000 0.748 366 L CB -1.330 40.727 42.059 -0.005 0.000 0.891 366 L HN 0.228 nan 8.230 nan 0.000 0.431 367 G N -0.761 108.025 108.800 -0.024 0.000 2.446 367 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 367 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 367 G C 1.642 176.553 174.900 0.019 0.000 1.168 367 G CA 1.036 46.114 45.100 -0.036 0.000 0.771 367 G HN 0.425 nan 8.290 nan 0.000 0.551 368 L N 0.299 121.520 121.223 -0.004 0.000 2.127 368 L HA -0.085 4.255 4.340 -0.001 0.000 0.211 368 L C 2.434 179.360 176.870 0.093 0.000 1.089 368 L CA 1.149 56.004 54.840 0.026 0.000 0.757 368 L CB -0.349 41.710 42.059 -0.000 0.000 0.899 368 L HN 0.117 nan 8.230 nan 0.000 0.434 369 D N -0.095 120.362 120.400 0.096 0.000 2.149 369 D HA -0.083 4.556 4.640 -0.001 0.000 0.201 369 D C 2.215 178.612 176.300 0.161 0.000 0.972 369 D CA 1.290 55.367 54.000 0.129 0.000 0.835 369 D CB 0.115 40.969 40.800 0.090 0.000 0.966 369 D HN 0.268 nan 8.370 nan 0.000 0.476 370 A N 0.342 123.270 122.820 0.181 0.000 1.898 370 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 370 A C 2.466 180.152 177.584 0.171 0.000 1.181 370 A CA 1.052 53.245 52.037 0.260 0.000 0.620 370 A CB -0.660 18.623 19.000 0.472 0.000 0.819 370 A HN 0.135 nan 8.150 nan 0.000 0.442 371 V N -0.187 119.856 119.914 0.216 0.000 2.343 371 V HA -0.224 3.896 4.120 -0.001 0.000 0.247 371 V C 2.738 178.955 176.094 0.205 0.000 1.051 371 V CA 2.479 64.868 62.300 0.148 0.000 1.036 371 V CB -1.253 30.690 31.823 0.199 0.000 0.654 371 V HN 0.602 nan 8.190 nan 0.000 0.451 372 T N 0.432 115.134 114.554 0.247 0.000 2.737 372 T HA -0.169 4.180 4.350 -0.001 0.000 0.265 372 T C 1.914 176.823 174.700 0.348 0.000 1.038 372 T CA 1.753 64.073 62.100 0.367 0.000 1.144 372 T CB -0.350 68.765 68.868 0.413 0.000 0.866 372 T HN 0.318 nan 8.240 nan 0.000 0.434 373 L N 1.127 122.557 121.223 0.344 0.000 2.042 373 L HA -0.127 4.213 4.340 -0.001 0.000 0.210 373 L C 2.488 179.471 176.870 0.187 0.000 1.076 373 L CA 1.851 56.941 54.840 0.417 0.000 0.749 373 L CB -0.573 41.602 42.059 0.193 0.000 0.893 373 L HN 0.112 nan 8.230 nan 0.000 0.432 374 Q N -1.569 118.177 119.800 -0.090 0.000 2.172 374 Q HA -0.143 4.196 4.340 -0.001 0.000 0.200 374 Q C 1.166 176.907 176.000 -0.432 0.000 0.964 374 Q CA 1.701 57.264 55.803 -0.399 0.000 0.855 374 Q CB -0.146 28.036 28.738 -0.927 0.000 0.918 374 Q HN 0.693 nan 8.270 nan 0.000 0.444 375 Y N -0.919 119.338 120.300 -0.072 0.000 2.524 375 Y HA 0.316 4.866 4.550 -0.001 0.000 0.266 375 Y C -0.264 175.595 175.900 -0.069 0.000 1.180 375 Y CA -0.096 58.011 58.100 0.012 0.000 1.244 375 Y CB 0.893 39.448 38.460 0.158 0.000 1.125 375 Y HN -0.186 nan 8.280 nan 0.000 0.524 376 T N 0.101 114.551 114.554 -0.174 0.000 2.829 376 T HA 0.108 4.457 4.350 -0.001 0.000 0.280 376 T C -0.880 173.402 174.700 -0.697 0.000 0.999 376 T CA -0.720 61.001 62.100 -0.633 0.000 0.983 376 T CB 1.336 69.417 68.868 -1.311 0.000 0.968 376 T HN -0.044 nan 8.240 nan 0.000 0.446 377 D N 1.949 122.007 120.400 -0.570 0.000 2.522 377 D HA 0.128 4.767 4.640 -0.001 0.000 0.218 377 D C 0.142 176.232 176.300 -0.350 0.000 1.149 377 D CA -0.870 52.927 54.000 -0.338 0.000 0.981 377 D CB 0.055 40.735 40.800 -0.201 0.000 1.041 377 D HN 0.601 nan 8.370 nan 0.000 0.518 378 W N 2.513 123.771 121.300 -0.070 0.000 2.747 378 W HA -0.055 4.605 4.660 -0.001 0.000 0.244 378 W C 1.835 178.322 176.519 -0.053 0.000 1.270 378 W CA -0.143 57.164 57.345 -0.065 0.000 1.333 378 W CB -0.246 29.181 29.460 -0.055 0.000 1.139 378 W HN 0.405 nan 8.180 nan 0.000 0.662 379 M N 0.320 119.971 119.600 0.085 0.000 2.371 379 M HA 0.102 4.582 4.480 -0.001 0.000 0.246 379 M C 0.021 176.321 176.300 0.000 0.000 1.103 379 M CA 0.988 56.317 55.300 0.047 0.000 1.010 379 M CB 0.483 33.103 32.600 0.033 0.000 1.457 379 M HN -0.196 nan 8.290 nan 0.000 0.486 380 D N -0.135 120.240 120.400 -0.041 0.000 4.099 380 D HA -0.043 4.596 4.640 -0.001 0.000 0.262 380 D C -0.050 176.165 176.300 -0.142 0.000 1.445 380 D CA 0.376 54.333 54.000 -0.071 0.000 0.779 380 D CB -0.186 40.575 40.800 -0.064 0.000 1.348 380 D HN 0.498 nan 8.370 nan 0.000 0.803 381 D N -0.775 119.527 120.400 -0.162 0.000 2.350 381 D HA -0.109 4.531 4.640 -0.001 0.000 0.216 381 D C 0.579 176.734 176.300 -0.242 0.000 0.968 381 D CA 0.273 54.094 54.000 -0.298 0.000 0.894 381 D CB 0.113 40.751 40.800 -0.270 0.000 0.909 381 D HN 0.158 nan 8.370 nan 0.000 0.520 382 N N 0.398 119.012 118.700 -0.144 0.000 2.230 382 N HA -0.009 4.731 4.740 -0.001 0.000 0.202 382 N C -0.241 175.200 175.510 -0.114 0.000 1.119 382 N CA -0.191 52.789 53.050 -0.117 0.000 0.851 382 N CB 0.120 38.567 38.487 -0.067 0.000 0.990 382 N HN 0.328 nan 8.380 nan 0.000 0.497 383 N N -0.193 118.430 118.700 -0.128 0.000 2.475 383 N HA 0.061 4.800 4.740 -0.001 0.000 0.267 383 N C 1.456 176.900 175.510 -0.110 0.000 1.169 383 N CA -0.112 52.877 53.050 -0.102 0.000 0.947 383 N CB 0.937 39.369 38.487 -0.091 0.000 1.061 383 N HN 0.035 nan 8.380 nan 0.000 0.466 384 G N 3.609 112.354 108.800 -0.092 0.000 2.403 384 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.216 384 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.216 384 G C 1.341 176.187 174.900 -0.089 0.000 1.154 384 G CA 0.380 45.418 45.100 -0.103 0.000 0.784 384 G HN 0.628 nan 8.290 nan 0.000 0.538 385 I N 0.219 120.754 120.570 -0.058 0.000 2.202 385 I HA -0.108 4.062 4.170 -0.001 0.000 0.242 385 I C 2.771 178.891 176.117 0.005 0.000 1.091 385 I CA 1.138 62.427 61.300 -0.019 0.000 1.368 385 I CB -0.244 37.757 38.000 0.001 0.000 1.058 385 I HN 0.148 nan 8.210 nan 0.000 0.410 386 K N 0.609 120.995 120.400 -0.022 0.000 2.147 386 K HA -0.164 4.155 4.320 -0.001 0.000 0.205 386 K C 1.796 178.385 176.600 -0.019 0.000 1.049 386 K CA 1.265 57.538 56.287 -0.023 0.000 0.936 386 K CB -0.117 32.338 32.500 -0.075 0.000 0.722 386 K HN 0.312 nan 8.250 nan 0.000 0.446 387 N N 0.576 119.240 118.700 -0.061 0.000 2.216 387 N HA -0.128 4.612 4.740 -0.001 0.000 0.183 387 N C 1.660 177.290 175.510 0.200 0.000 1.017 387 N CA 0.729 53.776 53.050 -0.005 0.000 0.861 387 N CB -0.157 38.277 38.487 -0.090 0.000 0.986 387 N HN 0.151 nan 8.380 nan 0.000 0.428 388 R N 1.265 121.821 120.500 0.093 0.000 2.082 388 R HA -0.123 4.216 4.340 -0.001 0.000 0.234 388 R C 0.832 177.298 176.300 0.277 0.000 1.136 388 R CA 1.646 57.830 56.100 0.140 0.000 0.935 388 R CB -0.263 30.040 30.300 0.005 0.000 0.842 388 R HN 0.138 nan 8.270 nan 0.000 0.430 389 D N -0.737 119.795 120.400 0.219 0.000 2.117 389 D HA -0.107 4.533 4.640 -0.001 0.000 0.197 389 D C 1.750 178.199 176.300 0.249 0.000 0.987 389 D CA 1.490 55.630 54.000 0.235 0.000 0.829 389 D CB -0.682 40.227 40.800 0.182 0.000 0.961 389 D HN 0.507 nan 8.370 nan 0.000 0.460 390 G N 0.755 109.711 108.800 0.259 0.000 2.440 390 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.218 390 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.218 390 G C 1.539 176.605 174.900 0.277 0.000 1.154 390 G CA 0.380 45.683 45.100 0.337 0.000 0.767 390 G HN 0.194 nan 8.290 nan 0.000 0.552 391 L N 0.917 122.309 121.223 0.283 0.000 2.093 391 L HA 0.015 4.355 4.340 -0.001 0.000 0.208 391 L C 2.255 179.191 176.870 0.110 0.000 1.085 391 L CA 1.773 56.695 54.840 0.137 0.000 0.755 391 L CB -0.576 41.639 42.059 0.259 0.000 0.904 391 L HN 0.178 nan 8.230 nan 0.000 0.435 392 D N -0.631 119.884 120.400 0.193 0.000 2.117 392 D HA -0.196 4.444 4.640 -0.001 0.000 0.197 392 D C 1.563 177.948 176.300 0.142 0.000 0.987 392 D CA 1.168 55.277 54.000 0.181 0.000 0.829 392 D CB 0.174 41.126 40.800 0.253 0.000 0.961 392 D HN 0.301 nan 8.370 nan 0.000 0.460 393 D N -0.014 120.479 120.400 0.156 0.000 2.144 393 D HA -0.075 4.565 4.640 -0.001 0.000 0.200 393 D C 2.288 178.604 176.300 0.026 0.000 0.978 393 D CA 0.374 54.480 54.000 0.177 0.000 0.833 393 D CB -0.155 40.844 40.800 0.331 0.000 0.961 393 D HN 0.369 nan 8.370 nan 0.000 0.470 394 I N 0.343 120.788 120.570 -0.210 0.000 2.142 394 I HA -0.228 3.942 4.170 -0.001 0.000 0.240 394 I C 2.367 178.387 176.117 -0.161 0.000 1.078 394 I CA 0.703 61.798 61.300 -0.340 0.000 1.343 394 I CB -0.313 37.458 38.000 -0.381 0.000 1.046 394 I HN -0.103 nan 8.210 nan 0.000 0.405 395 V N 1.190 121.066 119.914 -0.063 0.000 2.392 395 V HA -0.223 3.897 4.120 -0.001 0.000 0.249 395 V C 2.516 178.592 176.094 -0.030 0.000 1.059 395 V CA 2.177 64.477 62.300 -0.000 0.000 1.051 395 V CB -1.462 30.424 31.823 0.105 0.000 0.658 395 V HN 0.594 nan 8.190 nan 0.000 0.455 396 G N -0.374 108.432 108.800 0.011 0.000 2.404 396 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.214 396 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.214 396 G C 1.219 176.067 174.900 -0.086 0.000 1.189 396 G CA 0.842 45.955 45.100 0.021 0.000 0.789 396 G HN 0.484 nan 8.290 nan 0.000 0.533 397 D N 0.052 120.400 120.400 -0.086 0.000 2.104 397 D HA -0.135 4.504 4.640 -0.001 0.000 0.194 397 D C 2.071 178.048 176.300 -0.538 0.000 0.994 397 D CA 1.552 55.456 54.000 -0.160 0.000 0.830 397 D CB -0.485 40.360 40.800 0.074 0.000 0.959 397 D HN 0.516 nan 8.370 nan 0.000 0.452 398 H N 0.148 118.602 119.070 -1.026 0.000 2.428 398 H HA 0.087 4.642 4.556 -0.001 0.000 0.296 398 H C 1.468 176.428 175.328 -0.614 0.000 1.062 398 H CA 1.372 56.680 56.048 -1.233 0.000 1.350 398 H CB 0.174 28.915 29.762 -1.701 0.000 1.403 398 H HN -0.044 nan 8.280 nan 0.000 0.533 399 N N -0.763 117.494 118.700 -0.738 0.000 2.415 399 N HA 0.030 4.770 4.740 -0.001 0.000 0.174 399 N C 0.952 176.195 175.510 -0.445 0.000 1.048 399 N CA 0.963 53.544 53.050 -0.780 0.000 0.895 399 N CB 1.192 38.915 38.487 -1.274 0.000 1.036 399 N HN 0.279 nan 8.380 nan 0.000 0.449 400 V N 0.162 119.904 119.914 -0.287 0.000 3.279 400 V HA 0.189 4.309 4.120 -0.001 0.000 0.213 400 V C 1.930 177.995 176.094 -0.048 0.000 1.335 400 V CA -0.026 62.228 62.300 -0.076 0.000 1.317 400 V CB 0.410 32.266 31.823 0.055 0.000 1.209 400 V HN -0.059 nan 8.190 nan 0.000 0.525 401 I N 0.285 120.839 120.570 -0.027 0.000 2.252 401 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 401 I C 2.426 178.539 176.117 -0.007 0.000 1.102 401 I CA 1.649 62.957 61.300 0.012 0.000 1.385 401 I CB -0.297 37.747 38.000 0.073 0.000 1.064 401 I HN 0.387 nan 8.210 nan 0.000 0.414 402 c N 0.658 119.232 118.600 -0.043 0.000 2.486 402 c HA 0.009 4.579 4.570 -0.001 0.000 0.279 402 c C 0.184 174.280 174.090 0.009 0.000 1.302 402 c CA 0.511 56.854 56.329 0.022 0.000 1.720 402 c CB -1.723 40.828 42.510 0.068 0.000 2.030 402 c HN 0.342 nan 8.230 nan 0.000 0.490 403 P HA -0.114 nan 4.420 nan 0.000 0.216 403 P C 1.681 178.988 177.300 0.012 0.000 1.150 403 P CA 1.156 64.206 63.100 -0.084 0.000 0.837 403 P CB -0.164 31.397 31.700 -0.231 0.000 0.786 404 L N -1.790 119.426 121.223 -0.012 0.000 2.027 404 L HA -0.137 4.202 4.340 -0.001 0.000 0.206 404 L C 2.204 179.111 176.870 0.062 0.000 1.074 404 L CA 1.676 56.528 54.840 0.020 0.000 0.745 404 L CB -0.574 41.473 42.059 -0.020 0.000 0.898 404 L HN -0.121 nan 8.230 nan 0.000 0.433 405 M N -1.181 118.444 119.600 0.043 0.000 2.213 405 M HA -0.236 4.243 4.480 -0.001 0.000 0.263 405 M C 2.251 178.612 176.300 0.102 0.000 1.062 405 M CA 1.605 56.929 55.300 0.039 0.000 1.105 405 M CB -1.572 31.068 32.600 0.067 0.000 1.385 405 M HN 0.417 nan 8.290 nan 0.000 0.417 406 H N -0.256 118.849 119.070 0.057 0.000 2.357 406 H HA -0.165 4.390 4.556 -0.001 0.000 0.301 406 H C 1.817 177.198 175.328 0.088 0.000 1.082 406 H CA 1.924 58.016 56.048 0.074 0.000 1.342 406 H CB -0.314 29.488 29.762 0.067 0.000 1.389 406 H HN 0.254 nan 8.280 nan 0.000 0.511 407 F N 0.782 120.706 119.950 -0.044 0.000 2.186 407 F HA -0.143 4.383 4.527 -0.001 0.000 0.299 407 F C 2.364 178.099 175.800 -0.109 0.000 1.090 407 F CA 1.567 59.499 58.000 -0.115 0.000 1.307 407 F CB -0.655 38.277 39.000 -0.112 0.000 1.019 407 F HN 0.167 nan 8.300 nan 0.000 0.489 408 V N -0.378 119.438 119.914 -0.164 0.000 2.270 408 V HA -0.232 3.887 4.120 -0.001 0.000 0.245 408 V C 2.195 178.181 176.094 -0.180 0.000 1.043 408 V CA 2.197 64.308 62.300 -0.315 0.000 1.014 408 V CB -1.219 30.302 31.823 -0.504 0.000 0.645 408 V HN 0.364 nan 8.190 nan 0.000 0.447 409 N N 0.965 119.624 118.700 -0.067 0.000 2.061 409 N HA -0.188 4.551 4.740 -0.001 0.000 0.193 409 N C 1.870 177.361 175.510 -0.033 0.000 1.030 409 N CA 2.191 55.278 53.050 0.062 0.000 0.856 409 N CB -0.398 38.140 38.487 0.086 0.000 1.023 409 N HN 0.561 nan 8.380 nan 0.000 0.424 410 K N 0.198 120.506 120.400 -0.153 0.000 2.025 410 K HA -0.124 4.196 4.320 -0.001 0.000 0.207 410 K C 2.056 178.636 176.600 -0.033 0.000 1.049 410 K CA 0.618 56.839 56.287 -0.110 0.000 0.933 410 K CB -0.604 31.769 32.500 -0.212 0.000 0.714 410 K HN 0.258 nan 8.250 nan 0.000 0.438 411 Y N 2.472 122.537 120.300 -0.392 0.000 2.070 411 Y HA -0.268 4.282 4.550 -0.001 0.000 0.280 411 Y C 2.443 178.313 175.900 -0.051 0.000 1.148 411 Y CA 2.129 59.967 58.100 -0.438 0.000 1.125 411 Y CB -0.672 37.205 38.460 -0.973 0.000 0.975 411 Y HN 0.033 nan 8.280 nan 0.000 0.492 412 T N 1.082 115.664 114.554 0.047 0.000 2.721 412 T HA -0.289 4.060 4.350 -0.001 0.000 0.268 412 T C 1.936 176.613 174.700 -0.039 0.000 1.038 412 T CA 1.730 63.876 62.100 0.077 0.000 1.145 412 T CB -0.312 68.688 68.868 0.219 0.000 0.858 412 T HN 0.262 nan 8.240 nan 0.000 0.459 413 K N 0.016 120.357 120.400 -0.099 0.000 2.034 413 K HA -0.139 4.181 4.320 -0.001 0.000 0.214 413 K C 1.499 177.826 176.600 -0.455 0.000 1.051 413 K CA 1.739 57.835 56.287 -0.318 0.000 0.931 413 K CB -0.248 31.980 32.500 -0.453 0.000 0.715 413 K HN 0.451 nan 8.250 nan 0.000 0.446 414 F N -0.465 119.430 119.950 -0.092 0.000 2.704 414 F HA 0.241 4.768 4.527 -0.001 0.000 0.304 414 F C 1.351 177.033 175.800 -0.197 0.000 1.094 414 F CA -0.265 57.646 58.000 -0.149 0.000 1.275 414 F CB 0.060 38.915 39.000 -0.242 0.000 1.073 414 F HN -0.063 nan 8.300 nan 0.000 0.586 415 G N 0.211 108.927 108.800 -0.141 0.000 2.651 415 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.260 415 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.260 415 G C 0.026 174.946 174.900 0.032 0.000 1.216 415 G CA -0.458 44.522 45.100 -0.199 0.000 0.913 415 G HN 0.290 nan 8.290 nan 0.000 0.535 416 N N 0.099 118.881 118.700 0.138 0.000 2.610 416 N HA 0.370 5.109 4.740 -0.001 0.000 0.309 416 N C 0.141 175.742 175.510 0.152 0.000 1.536 416 N CA 0.384 53.504 53.050 0.116 0.000 0.954 416 N CB -0.030 38.518 38.487 0.100 0.000 1.310 416 N HN 1.009 nan 8.380 nan 0.000 0.502 417 G N 1.076 109.964 108.800 0.147 0.000 3.313 417 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.659 417 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.659 417 G C -1.027 173.953 174.900 0.133 0.000 1.286 417 G CA -0.869 44.294 45.100 0.106 0.000 1.077 417 G HN 0.129 nan 8.290 nan 0.000 0.551 418 T N 2.036 116.550 114.554 -0.067 0.000 2.824 418 T HA 0.686 5.035 4.350 -0.001 0.000 0.282 418 T C -1.036 173.503 174.700 -0.267 0.000 0.993 418 T CA -0.268 61.824 62.100 -0.013 0.000 0.967 418 T CB 1.198 70.133 68.868 0.113 0.000 0.960 418 T HN 0.441 nan 8.240 nan 0.000 0.441 419 Y N 2.229 122.506 120.300 -0.038 0.000 2.338 419 Y HA 0.629 5.178 4.550 -0.001 0.000 0.333 419 Y C -0.565 175.469 175.900 0.224 0.000 0.968 419 Y CA -1.109 56.925 58.100 -0.110 0.000 1.123 419 Y CB 1.435 39.411 38.460 -0.808 0.000 1.165 419 Y HN 0.384 nan 8.280 nan 0.000 0.452 420 L N 5.996 127.672 121.223 0.754 0.000 2.313 420 L HA 0.539 4.879 4.340 -0.001 0.000 0.283 420 L C -1.090 176.196 176.870 0.693 0.000 1.013 420 L CA -1.143 54.042 54.840 0.575 0.000 0.816 420 L CB 0.492 42.733 42.059 0.304 0.000 1.236 420 L HN 0.531 nan 8.230 nan 0.000 0.419 421 Y N 3.357 123.938 120.300 0.468 0.000 2.549 421 Y HA 0.730 5.280 4.550 -0.001 0.000 0.339 421 Y C -1.473 174.659 175.900 0.387 0.000 1.053 421 Y CA -1.868 56.380 58.100 0.247 0.000 1.105 421 Y CB 1.273 39.803 38.460 0.117 0.000 1.258 421 Y HN 0.508 nan 8.280 nan 0.000 0.478 422 F N 4.416 124.631 119.950 0.442 0.000 2.532 422 F HA 0.429 4.955 4.527 -0.001 0.000 0.365 422 F C -1.804 174.269 175.800 0.456 0.000 1.112 422 F CA -1.863 56.348 58.000 0.353 0.000 1.082 422 F CB 0.431 39.633 39.000 0.337 0.000 1.319 422 F HN 0.567 nan 8.300 nan 0.000 0.457 423 F N 7.403 127.390 119.950 0.062 0.000 2.472 423 F HA 0.278 4.804 4.527 -0.001 0.000 0.364 423 F C 0.232 175.847 175.800 -0.309 0.000 1.090 423 F CA -0.118 57.868 58.000 -0.022 0.000 1.188 423 F CB 0.531 39.600 39.000 0.116 0.000 1.105 423 F HN 0.553 nan 8.300 nan 0.000 0.536 424 N N 3.559 121.904 118.700 -0.592 0.000 2.628 424 N HA 0.094 4.834 4.740 -0.001 0.000 0.299 424 N C -1.512 173.768 175.510 -0.383 0.000 1.834 424 N CA -0.565 52.232 53.050 -0.420 0.000 0.871 424 N CB -0.535 37.821 38.487 -0.219 0.000 1.377 424 N HN 0.669 nan 8.380 nan 0.000 0.493 425 H N 0.113 118.690 119.070 -0.821 0.000 2.539 425 H HA 0.451 5.007 4.556 -0.001 0.000 0.332 425 H C -0.655 174.504 175.328 -0.281 0.000 1.031 425 H CA -0.708 54.991 56.048 -0.581 0.000 1.206 425 H CB 1.258 30.560 29.762 -0.768 0.000 1.446 425 H HN 0.219 nan 8.280 nan 0.000 0.496 426 R N 4.592 124.684 120.500 -0.681 0.000 2.196 426 R HA 0.534 4.873 4.340 -0.001 0.000 0.340 426 R C -0.611 175.464 176.300 -0.376 0.000 1.043 426 R CA -0.568 55.334 56.100 -0.331 0.000 0.883 426 R CB 0.320 30.508 30.300 -0.186 0.000 1.078 426 R HN 0.766 nan 8.270 nan 0.000 0.462 427 A N 3.306 126.207 122.820 0.134 0.000 2.587 427 A HA -0.048 4.272 4.320 -0.001 0.000 0.235 427 A C 1.456 179.140 177.584 0.166 0.000 1.044 427 A CA 0.687 52.983 52.037 0.432 0.000 0.754 427 A CB 0.258 19.645 19.000 0.645 0.000 0.968 427 A HN 1.056 nan 8.150 nan 0.000 0.509 428 S N 1.997 117.814 115.700 0.196 0.000 2.383 428 S HA -0.197 4.273 4.470 -0.001 0.000 0.229 428 S C 1.053 175.645 174.600 -0.013 0.000 1.030 428 S CA 1.380 59.623 58.200 0.072 0.000 1.002 428 S CB -0.516 62.743 63.200 0.099 0.000 0.829 428 S HN 0.919 nan 8.310 nan 0.000 0.467 429 N N 1.223 119.868 118.700 -0.091 0.000 2.322 429 N HA 0.194 4.934 4.740 -0.001 0.000 0.216 429 N C -0.200 175.245 175.510 -0.109 0.000 1.144 429 N CA -0.337 52.613 53.050 -0.167 0.000 0.830 429 N CB -0.619 37.645 38.487 -0.372 0.000 1.034 429 N HN 0.359 nan 8.380 nan 0.000 0.484 430 L N 1.735 122.941 121.223 -0.028 0.000 2.455 430 L HA 0.013 4.352 4.340 -0.001 0.000 0.272 430 L C 1.232 178.089 176.870 -0.022 0.000 1.174 430 L CA 0.043 54.884 54.840 0.001 0.000 0.869 430 L CB 0.985 43.057 42.059 0.022 0.000 1.130 430 L HN 0.147 nan 8.230 nan 0.000 0.474 431 V N 1.309 121.189 119.914 -0.056 0.000 3.541 431 V HA 0.094 4.214 4.120 -0.001 0.000 0.267 431 V C 0.456 176.547 176.094 -0.005 0.000 1.213 431 V CA -0.356 61.898 62.300 -0.078 0.000 1.149 431 V CB -1.436 30.237 31.823 -0.249 0.000 0.822 431 V HN 0.646 nan 8.190 nan 0.000 0.462 432 W N 1.272 122.580 121.300 0.014 0.000 2.375 432 W HA 0.562 5.222 4.660 -0.001 0.000 0.336 432 W C -1.923 174.500 176.519 -0.160 0.000 1.160 432 W CA -2.526 54.795 57.345 -0.040 0.000 1.266 432 W CB 0.064 29.431 29.460 -0.155 0.000 1.195 432 W HN -0.093 nan 8.180 nan 0.000 0.599 433 P HA -0.125 nan 4.420 nan 0.000 0.265 433 P C 0.597 177.803 177.300 -0.156 0.000 1.187 433 P CA 0.547 63.609 63.100 -0.064 0.000 0.766 433 P CB 0.837 32.514 31.700 -0.040 0.000 0.820 434 E N 2.362 122.553 120.200 -0.015 0.000 2.130 434 E HA -0.177 4.173 4.350 -0.001 0.000 0.196 434 E C 1.889 178.508 176.600 0.031 0.000 0.998 434 E CA 1.464 57.871 56.400 0.012 0.000 0.806 434 E CB -0.398 29.347 29.700 0.075 0.000 0.738 434 E HN 0.734 nan 8.360 nan 0.000 0.459 435 W N 0.225 121.572 121.300 0.079 0.000 2.421 435 W HA -0.086 4.574 4.660 -0.001 0.000 0.270 435 W C 1.434 178.014 176.519 0.103 0.000 1.233 435 W CA 0.461 57.862 57.345 0.093 0.000 1.226 435 W CB -0.790 28.734 29.460 0.107 0.000 1.121 435 W HN -0.017 nan 8.180 nan 0.000 0.579 436 M N 1.320 120.530 119.600 -0.649 0.000 2.562 436 M HA 0.161 4.640 4.480 -0.001 0.000 0.257 436 M C 1.812 177.999 176.300 -0.188 0.000 1.099 436 M CA 1.356 56.296 55.300 -0.600 0.000 1.099 436 M CB -0.721 31.357 32.600 -0.870 0.000 1.427 436 M HN 0.138 nan 8.290 nan 0.000 0.489 437 G N 0.839 109.579 108.800 -0.099 0.000 2.622 437 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.307 437 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.307 437 G C -0.058 174.821 174.900 -0.035 0.000 1.226 437 G CA -0.029 45.056 45.100 -0.024 0.000 0.997 437 G HN 0.262 nan 8.290 nan 0.000 0.551 438 V N 1.742 121.663 119.914 0.012 0.000 2.276 438 V HA 0.433 4.553 4.120 -0.001 0.000 0.249 438 V C 0.966 177.128 176.094 0.113 0.000 1.160 438 V CA -0.050 62.288 62.300 0.064 0.000 1.042 438 V CB -0.070 31.777 31.823 0.039 0.000 1.224 438 V HN 0.514 nan 8.190 nan 0.000 0.496 439 I N 2.785 123.403 120.570 0.080 0.000 2.634 439 I HA 0.161 4.331 4.170 -0.001 0.000 0.284 439 I C 0.974 177.261 176.117 0.283 0.000 1.124 439 I CA -0.447 60.912 61.300 0.099 0.000 1.417 439 I CB 0.271 38.185 38.000 -0.143 0.000 1.396 439 I HN 0.573 nan 8.210 nan 0.000 0.571 440 H N 4.832 123.956 119.070 0.091 0.000 3.173 440 H HA 0.047 4.603 4.556 -0.001 0.000 0.311 440 H C 1.172 176.470 175.328 -0.050 0.000 0.972 440 H CA 1.182 57.248 56.048 0.030 0.000 1.384 440 H CB 0.215 29.964 29.762 -0.022 0.000 1.349 440 H HN 0.787 nan 8.280 nan 0.000 0.582 441 G N 3.559 112.137 108.800 -0.371 0.000 2.168 441 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.263 441 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.263 441 G C 0.405 175.177 174.900 -0.212 0.000 0.977 441 G CA 0.628 45.486 45.100 -0.402 0.000 0.659 441 G HN 0.688 nan 8.290 nan 0.000 0.533 442 Y N 0.661 121.020 120.300 0.098 0.000 2.625 442 Y HA 0.286 4.836 4.550 -0.001 0.000 0.285 442 Y C 2.076 178.080 175.900 0.173 0.000 1.168 442 Y CA 0.569 58.805 58.100 0.228 0.000 1.250 442 Y CB 0.495 39.115 38.460 0.265 0.000 1.130 442 Y HN 0.498 nan 8.280 nan 0.000 0.526 443 E N -0.244 119.942 120.200 -0.024 0.000 2.389 443 E HA -0.026 4.324 4.350 -0.001 0.000 0.199 443 E C 1.623 178.137 176.600 -0.143 0.000 0.978 443 E CA 0.516 56.636 56.400 -0.466 0.000 0.912 443 E CB -0.287 28.966 29.700 -0.745 0.000 0.907 443 E HN 0.511 nan 8.360 nan 0.000 0.494 444 I N 2.887 123.471 120.570 0.022 0.000 2.087 444 I HA -0.352 3.817 4.170 -0.001 0.000 0.240 444 I C 2.718 178.873 176.117 0.064 0.000 1.054 444 I CA 2.463 63.830 61.300 0.111 0.000 1.311 444 I CB -0.648 37.458 38.000 0.176 0.000 1.024 444 I HN 0.249 nan 8.210 nan 0.000 0.402 445 E N 0.843 121.030 120.200 -0.022 0.000 2.219 445 E HA -0.250 4.100 4.350 -0.001 0.000 0.198 445 E C 2.084 178.521 176.600 -0.273 0.000 0.998 445 E CA 1.588 57.898 56.400 -0.150 0.000 0.818 445 E CB -0.556 29.059 29.700 -0.142 0.000 0.741 445 E HN 0.449 nan 8.360 nan 0.000 0.477 446 F N 1.016 120.858 119.950 -0.180 0.000 2.187 446 F HA -0.039 4.488 4.527 -0.001 0.000 0.295 446 F C 2.390 178.001 175.800 -0.314 0.000 1.091 446 F CA 0.650 58.502 58.000 -0.247 0.000 1.308 446 F CB -0.142 38.737 39.000 -0.201 0.000 1.030 446 F HN -0.131 nan 8.300 nan 0.000 0.487 447 V N -0.997 118.800 119.914 -0.195 0.000 2.490 447 V HA -0.281 3.839 4.120 -0.001 0.000 0.250 447 V C 1.469 177.349 176.094 -0.356 0.000 1.061 447 V CA 1.586 63.635 62.300 -0.419 0.000 1.064 447 V CB -0.641 30.954 31.823 -0.381 0.000 0.670 447 V HN 0.209 nan 8.190 nan 0.000 0.461 448 F N 0.461 120.264 119.950 -0.244 0.000 2.664 448 F HA 0.416 4.942 4.527 -0.001 0.000 0.301 448 F C 1.699 177.377 175.800 -0.202 0.000 1.126 448 F CA 0.443 58.322 58.000 -0.201 0.000 1.373 448 F CB -0.365 38.486 39.000 -0.248 0.000 1.042 448 F HN 0.233 nan 8.300 nan 0.000 0.535 449 G N 0.854 109.551 108.800 -0.171 0.000 2.356 449 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.296 449 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.296 449 G C 1.177 175.773 174.900 -0.508 0.000 1.022 449 G CA 0.357 45.297 45.100 -0.266 0.000 0.961 449 G HN 0.394 nan 8.290 nan 0.000 0.510 450 L N -0.524 120.356 121.223 -0.573 0.000 2.109 450 L HA -0.033 4.307 4.340 -0.001 0.000 0.207 450 L C 0.119 176.536 176.870 -0.755 0.000 1.086 450 L CA 2.012 56.451 54.840 -0.669 0.000 0.760 450 L CB -1.464 40.313 42.059 -0.470 0.000 0.910 450 L HN 0.180 nan 8.230 nan 0.000 0.437 451 P HA -0.155 nan 4.420 nan 0.000 0.231 451 P C 1.789 178.824 177.300 -0.440 0.000 1.154 451 P CA 1.082 63.519 63.100 -1.106 0.000 0.762 451 P CB 0.009 31.044 31.700 -1.107 0.000 0.790 452 L N -1.551 119.438 121.223 -0.391 0.000 2.270 452 L HA 0.037 4.377 4.340 -0.001 0.000 0.210 452 L C 1.165 177.931 176.870 -0.173 0.000 1.104 452 L CA 0.492 55.196 54.840 -0.228 0.000 0.804 452 L CB -0.294 41.651 42.059 -0.190 0.000 0.937 452 L HN -0.104 nan 8.230 nan 0.000 0.450 453 V N 0.412 120.180 119.914 -0.245 0.000 2.387 453 V HA 0.011 4.131 4.120 -0.001 0.000 0.260 453 V C 1.370 177.438 176.094 -0.042 0.000 1.054 453 V CA -0.124 62.099 62.300 -0.129 0.000 0.967 453 V CB 1.169 32.897 31.823 -0.157 0.000 1.036 453 V HN 0.149 nan 8.190 nan 0.000 0.481 454 K N 3.745 124.133 120.400 -0.020 0.000 2.103 454 K HA -0.150 4.170 4.320 -0.001 0.000 0.207 454 K C 1.505 178.103 176.600 -0.004 0.000 1.048 454 K CA 1.984 58.272 56.287 0.002 0.000 0.930 454 K CB -0.615 31.883 32.500 -0.002 0.000 0.716 454 K HN 0.998 nan 8.250 nan 0.000 0.444 455 E N 0.494 120.685 120.200 -0.016 0.000 2.533 455 E HA 0.043 4.392 4.350 -0.001 0.000 0.201 455 E C 1.232 177.808 176.600 -0.040 0.000 1.097 455 E CA 0.451 56.835 56.400 -0.026 0.000 0.887 455 E CB -0.275 29.410 29.700 -0.025 0.000 0.855 455 E HN 0.322 nan 8.360 nan 0.000 0.540 456 L N -0.399 120.808 121.223 -0.027 0.000 2.664 456 L HA 0.201 4.541 4.340 -0.001 0.000 0.233 456 L C -0.277 176.502 176.870 -0.152 0.000 1.113 456 L CA -0.178 54.630 54.840 -0.053 0.000 0.896 456 L CB -0.262 41.832 42.059 0.057 0.000 1.163 456 L HN 0.136 nan 8.230 nan 0.000 0.497 457 N N -0.495 118.160 118.700 -0.075 0.000 2.727 457 N HA -0.231 4.508 4.740 -0.001 0.000 0.251 457 N C -0.712 174.720 175.510 -0.130 0.000 1.040 457 N CA 0.249 53.245 53.050 -0.090 0.000 0.712 457 N CB -1.116 37.298 38.487 -0.122 0.000 0.912 457 N HN 0.252 nan 8.380 nan 0.000 0.545 458 Y N 0.016 120.288 120.300 -0.046 0.000 2.340 458 Y HA 0.348 4.898 4.550 -0.001 0.000 0.327 458 Y C 1.756 177.666 175.900 0.016 0.000 1.321 458 Y CA -0.121 57.970 58.100 -0.015 0.000 1.433 458 Y CB 0.622 39.044 38.460 -0.062 0.000 1.373 458 Y HN 0.126 nan 8.280 nan 0.000 0.538 459 T N -1.989 112.707 114.554 0.237 0.000 2.788 459 T HA 0.455 4.804 4.350 -0.001 0.000 0.280 459 T C 1.126 175.899 174.700 0.122 0.000 0.984 459 T CA -0.232 61.955 62.100 0.146 0.000 0.972 459 T CB 1.103 70.056 68.868 0.142 0.000 1.039 459 T HN 0.732 nan 8.240 nan 0.000 0.530 460 A N 0.874 123.740 122.820 0.078 0.000 1.898 460 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 460 A C 2.275 179.887 177.584 0.046 0.000 1.181 460 A CA 1.318 53.385 52.037 0.051 0.000 0.620 460 A CB -0.803 18.218 19.000 0.036 0.000 0.819 460 A HN 0.945 nan 8.150 nan 0.000 0.442 461 E N 0.474 120.706 120.200 0.053 0.000 2.347 461 E HA -0.169 4.180 4.350 -0.001 0.000 0.196 461 E C 1.308 177.927 176.600 0.030 0.000 1.008 461 E CA 1.103 57.522 56.400 0.031 0.000 0.852 461 E CB -0.410 29.306 29.700 0.027 0.000 0.783 461 E HN 0.791 nan 8.360 nan 0.000 0.505 462 E N 1.043 121.303 120.200 0.099 0.000 2.170 462 E HA -0.108 4.241 4.350 -0.001 0.000 0.191 462 E C 2.012 178.690 176.600 0.129 0.000 0.981 462 E CA 0.494 57.015 56.400 0.202 0.000 0.830 462 E CB 0.076 30.022 29.700 0.410 0.000 0.775 462 E HN 0.363 nan 8.360 nan 0.000 0.470 463 E N 1.026 121.245 120.200 0.032 0.000 2.051 463 E HA -0.212 4.137 4.350 -0.001 0.000 0.192 463 E C 2.035 178.620 176.600 -0.024 0.000 0.991 463 E CA 1.047 57.420 56.400 -0.044 0.000 0.799 463 E CB -0.037 29.642 29.700 -0.034 0.000 0.748 463 E HN 0.189 nan 8.360 nan 0.000 0.449 464 A N 1.224 124.041 122.820 -0.005 0.000 1.883 464 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 464 A C 2.175 179.751 177.584 -0.014 0.000 1.186 464 A CA 1.458 53.484 52.037 -0.018 0.000 0.624 464 A CB -0.835 18.155 19.000 -0.016 0.000 0.822 464 A HN 0.395 nan 8.150 nan 0.000 0.444 465 L N -0.129 121.099 121.223 0.008 0.000 2.013 465 L HA -0.171 4.169 4.340 -0.001 0.000 0.212 465 L C 2.654 179.571 176.870 0.079 0.000 1.073 465 L CA 2.638 57.485 54.840 0.011 0.000 0.753 465 L CB -0.841 41.171 42.059 -0.077 0.000 0.890 465 L HN 0.362 nan 8.230 nan 0.000 0.432 466 S N -0.983 114.812 115.700 0.157 0.000 2.359 466 S HA -0.210 4.260 4.470 -0.001 0.000 0.224 466 S C 2.146 176.724 174.600 -0.035 0.000 1.035 466 S CA 1.466 59.710 58.200 0.073 0.000 1.018 466 S CB -0.198 62.932 63.200 -0.116 0.000 0.876 466 S HN 0.506 nan 8.310 nan 0.000 0.448 467 R N 0.274 120.748 120.500 -0.044 0.000 2.092 467 R HA 0.058 4.397 4.340 -0.001 0.000 0.231 467 R C 2.736 178.999 176.300 -0.061 0.000 1.119 467 R CA 1.199 57.269 56.100 -0.051 0.000 0.970 467 R CB -0.235 30.029 30.300 -0.061 0.000 0.864 467 R HN 0.357 nan 8.270 nan 0.000 0.440 468 R N 0.442 120.889 120.500 -0.089 0.000 2.073 468 R HA -0.101 4.239 4.340 -0.001 0.000 0.234 468 R C 2.284 178.478 176.300 -0.178 0.000 1.134 468 R CA 1.499 57.475 56.100 -0.206 0.000 0.952 468 R CB -0.326 29.880 30.300 -0.156 0.000 0.850 468 R HN 0.218 nan 8.270 nan 0.000 0.433 469 I N 0.335 120.906 120.570 0.001 0.000 2.252 469 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 469 I C 2.499 178.619 176.117 0.006 0.000 1.102 469 I CA 1.235 62.554 61.300 0.031 0.000 1.385 469 I CB -0.165 37.636 38.000 -0.333 0.000 1.064 469 I HN 0.193 nan 8.210 nan 0.000 0.414 470 M N -0.448 119.113 119.600 -0.065 0.000 2.108 470 M HA -0.276 4.204 4.480 -0.001 0.000 0.261 470 M C 2.447 178.835 176.300 0.146 0.000 1.066 470 M CA 1.844 57.136 55.300 -0.015 0.000 1.107 470 M CB -0.626 31.953 32.600 -0.036 0.000 1.356 470 M HN 0.272 nan 8.290 nan 0.000 0.406 471 H N -0.588 118.498 119.070 0.027 0.000 2.326 471 H HA -0.155 4.400 4.556 -0.001 0.000 0.301 471 H C 1.625 177.068 175.328 0.192 0.000 1.081 471 H CA 2.023 58.095 56.048 0.041 0.000 1.334 471 H CB -0.141 29.581 29.762 -0.067 0.000 1.385 471 H HN 0.267 nan 8.280 nan 0.000 0.504 472 Y N -0.595 119.892 120.300 0.311 0.000 2.081 472 Y HA -0.304 4.246 4.550 -0.001 0.000 0.280 472 Y C 2.626 178.730 175.900 0.339 0.000 1.163 472 Y CA 1.295 59.615 58.100 0.366 0.000 1.135 472 Y CB -1.049 37.809 38.460 0.663 0.000 0.970 472 Y HN 0.391 nan 8.280 nan 0.000 0.498 473 W N -0.805 120.601 121.300 0.178 0.000 2.354 473 W HA -0.197 4.463 4.660 -0.001 0.000 0.315 473 W C 2.596 179.102 176.519 -0.023 0.000 1.206 473 W CA 1.113 58.481 57.345 0.039 0.000 1.290 473 W CB -0.521 28.912 29.460 -0.045 0.000 1.152 473 W HN 0.056 nan 8.180 nan 0.000 0.489 474 A N -0.037 122.881 122.820 0.164 0.000 1.898 474 A HA -0.147 4.173 4.320 -0.001 0.000 0.216 474 A C 1.808 179.352 177.584 -0.067 0.000 1.181 474 A CA 2.142 54.181 52.037 0.003 0.000 0.620 474 A CB -1.209 17.779 19.000 -0.020 0.000 0.819 474 A HN 0.185 nan 8.150 nan 0.000 0.442 475 T N -0.682 113.787 114.554 -0.141 0.000 2.867 475 T HA -0.104 4.246 4.350 -0.001 0.000 0.268 475 T C 1.555 176.197 174.700 -0.097 0.000 1.057 475 T CA 1.507 63.496 62.100 -0.185 0.000 1.136 475 T CB -0.369 68.332 68.868 -0.278 0.000 0.874 475 T HN 0.543 nan 8.240 nan 0.000 0.466 476 F N 2.218 122.056 119.950 -0.187 0.000 2.163 476 F HA 0.124 4.650 4.527 -0.001 0.000 0.297 476 F C 2.396 178.080 175.800 -0.192 0.000 1.094 476 F CA 0.887 58.728 58.000 -0.264 0.000 1.290 476 F CB -0.599 38.165 39.000 -0.393 0.000 1.017 476 F HN 0.122 nan 8.300 nan 0.000 0.483 477 A N 0.750 123.479 122.820 -0.152 0.000 1.908 477 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 477 A C 2.272 179.703 177.584 -0.254 0.000 1.181 477 A CA 1.980 53.884 52.037 -0.223 0.000 0.627 477 A CB -0.750 18.207 19.000 -0.071 0.000 0.818 477 A HN 0.495 nan 8.150 nan 0.000 0.445 478 K N -1.285 119.001 120.400 -0.189 0.000 2.097 478 K HA -0.094 4.225 4.320 -0.001 0.000 0.205 478 K C 1.880 178.375 176.600 -0.175 0.000 1.050 478 K CA 1.757 57.955 56.287 -0.149 0.000 0.938 478 K CB -0.127 32.306 32.500 -0.112 0.000 0.718 478 K HN 0.715 nan 8.250 nan 0.000 0.442 479 T N -4.605 109.810 114.554 -0.232 0.000 3.004 479 T HA 0.232 4.581 4.350 -0.001 0.000 0.266 479 T C 1.134 175.658 174.700 -0.293 0.000 0.986 479 T CA 0.469 62.443 62.100 -0.210 0.000 0.902 479 T CB 1.070 69.853 68.868 -0.142 0.000 1.118 479 T HN 0.285 nan 8.240 nan 0.000 0.522 480 G N 1.552 110.009 108.800 -0.571 0.000 2.159 480 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.256 480 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.256 480 G C -0.179 174.511 174.900 -0.350 0.000 0.977 480 G CA 0.105 44.815 45.100 -0.650 0.000 0.652 480 G HN 0.892 nan 8.290 nan 0.000 0.531 481 N N -0.416 118.089 118.700 -0.326 0.000 2.425 481 N HA 0.402 5.142 4.740 -0.001 0.000 0.289 481 N C -1.929 173.416 175.510 -0.276 0.000 1.074 481 N CA -1.275 51.575 53.050 -0.335 0.000 0.905 481 N CB 2.422 40.842 38.487 -0.111 0.000 1.586 481 N HN -0.073 nan 8.380 nan 0.000 0.490 482 P HA -0.021 nan 4.420 nan 0.000 0.225 482 P C -0.349 177.026 177.300 0.125 0.000 1.156 482 P CA 0.656 63.661 63.100 -0.158 0.000 0.787 482 P CB 0.336 31.719 31.700 -0.528 0.000 0.802 483 N N 1.029 119.765 118.700 0.059 0.000 2.513 483 N HA 0.120 4.860 4.740 -0.001 0.000 0.274 483 N C 0.386 175.964 175.510 0.114 0.000 1.189 483 N CA -0.118 53.040 53.050 0.181 0.000 0.975 483 N CB 1.284 39.879 38.487 0.181 0.000 1.157 483 N HN 0.157 nan 8.380 nan 0.000 0.465 491 K N 1.590 122.112 120.400 0.203 0.000 2.258 491 K HA 0.508 4.828 4.320 -0.001 0.000 0.284 491 K C -0.575 176.226 176.600 0.335 0.000 1.051 491 K CA -0.175 56.270 56.287 0.262 0.000 0.923 491 K CB -0.195 32.427 32.500 0.203 0.000 1.046 491 K HN 0.500 nan 8.250 nan 0.000 0.474 492 W N 6.698 128.099 121.300 0.169 0.000 2.546 492 W HA 0.308 4.967 4.660 -0.001 0.000 0.323 492 W C -2.593 174.061 176.519 0.225 0.000 1.272 492 W CA -2.649 54.785 57.345 0.148 0.000 1.404 492 W CB -0.029 29.455 29.460 0.040 0.000 1.411 492 W HN 0.477 nan 8.180 nan 0.000 0.480 493 P HA -0.088 nan 4.420 nan 0.000 0.265 493 P C -0.308 177.178 177.300 0.310 0.000 1.187 493 P CA -0.116 63.192 63.100 0.347 0.000 0.766 493 P CB 0.524 32.357 31.700 0.221 0.000 0.820 494 L N 4.429 125.696 121.223 0.073 0.000 2.416 494 L HA 0.303 4.643 4.340 -0.001 0.000 0.272 494 L C -0.461 176.382 176.870 -0.044 0.000 1.161 494 L CA -0.307 54.395 54.840 -0.230 0.000 0.845 494 L CB -0.516 41.394 42.059 -0.248 0.000 1.119 494 L HN 0.170 nan 8.230 nan 0.000 0.464 495 F N 4.506 124.359 119.950 -0.160 0.000 2.467 495 F HA 0.446 4.972 4.527 -0.001 0.000 0.362 495 F C 0.412 176.190 175.800 -0.037 0.000 1.090 495 F CA 0.239 58.232 58.000 -0.011 0.000 1.202 495 F CB 0.618 39.642 39.000 0.041 0.000 1.113 495 F HN 0.677 nan 8.300 nan 0.000 0.541 496 T N 0.887 115.118 114.554 -0.538 0.000 2.893 496 T HA 0.279 4.629 4.350 -0.001 0.000 0.291 496 T C 0.931 175.336 174.700 -0.492 0.000 1.028 496 T CA -0.046 61.858 62.100 -0.327 0.000 0.995 496 T CB 1.453 70.204 68.868 -0.195 0.000 1.051 496 T HN 0.656 nan 8.240 nan 0.000 0.470 497 T N -0.591 113.843 114.554 -0.200 0.000 2.833 497 T HA -0.006 4.344 4.350 -0.001 0.000 0.269 497 T C 2.209 176.824 174.700 -0.142 0.000 1.054 497 T CA 1.605 63.630 62.100 -0.124 0.000 1.135 497 T CB -0.873 67.974 68.868 -0.036 0.000 0.869 497 T HN 0.946 nan 8.240 nan 0.000 0.466 498 K N 1.912 122.228 120.400 -0.140 0.000 1.975 498 K HA 0.034 4.354 4.320 -0.001 0.000 0.210 498 K C 2.294 178.824 176.600 -0.118 0.000 1.041 498 K CA 1.449 57.675 56.287 -0.101 0.000 0.942 498 K CB -1.064 31.388 32.500 -0.079 0.000 0.729 498 K HN 0.492 nan 8.250 nan 0.000 0.439 499 E N 0.136 120.244 120.200 -0.154 0.000 2.112 499 E HA -0.097 4.253 4.350 -0.001 0.000 0.190 499 E C -0.028 176.463 176.600 -0.182 0.000 0.979 499 E CA 0.603 56.923 56.400 -0.134 0.000 0.814 499 E CB 0.265 29.898 29.700 -0.112 0.000 0.762 499 E HN 0.558 nan 8.360 nan 0.000 0.460 500 Q N 0.053 119.599 119.800 -0.424 0.000 2.487 500 Q HA -0.186 4.153 4.340 -0.001 0.000 0.279 500 Q C -0.435 175.494 176.000 -0.119 0.000 1.228 500 Q CA 0.757 56.218 55.803 -0.569 0.000 0.873 500 Q CB -2.097 26.576 28.738 -0.108 0.000 1.260 500 Q HN 0.225 nan 8.270 nan 0.000 0.471 501 K N 0.413 120.749 120.400 -0.108 0.000 2.319 501 K HA 0.454 4.773 4.320 -0.001 0.000 0.265 501 K C 0.165 177.029 176.600 0.439 0.000 1.000 501 K CA 0.397 56.754 56.287 0.116 0.000 0.943 501 K CB 0.322 32.854 32.500 0.054 0.000 0.950 501 K HN 0.236 nan 8.250 nan 0.000 0.485 502 F N 0.413 120.517 119.950 0.257 0.000 2.741 502 F HA 0.561 5.087 4.527 -0.001 0.000 0.311 502 F C -1.512 174.368 175.800 0.134 0.000 1.149 502 F CA -1.418 56.761 58.000 0.298 0.000 0.930 502 F CB 0.683 39.878 39.000 0.324 0.000 1.312 502 F HN 0.382 nan 8.300 nan 0.000 0.450 503 I N -1.163 119.448 120.570 0.068 0.000 3.108 503 I HA 0.665 4.835 4.170 -0.001 0.000 0.312 503 I C -1.293 174.909 176.117 0.142 0.000 1.095 503 I CA -0.922 60.273 61.300 -0.176 0.000 1.000 503 I CB 2.042 39.800 38.000 -0.403 0.000 1.229 503 I HN 0.491 nan 8.210 nan 0.000 0.454 504 D N 2.694 123.158 120.400 0.107 0.000 2.210 504 D HA 0.409 5.049 4.640 -0.001 0.000 0.249 504 D C -0.660 175.695 176.300 0.092 0.000 1.062 504 D CA 0.031 54.183 54.000 0.253 0.000 0.891 504 D CB 2.589 43.547 40.800 0.263 0.000 1.186 504 D HN 0.469 nan 8.370 nan 0.000 0.432 505 L N 3.065 124.354 121.223 0.109 0.000 2.506 505 L HA 0.181 4.521 4.340 -0.001 0.000 0.247 505 L C -0.587 176.186 176.870 -0.162 0.000 1.141 505 L CA -0.496 54.376 54.840 0.053 0.000 0.973 505 L CB -0.239 41.968 42.059 0.246 0.000 1.319 505 L HN 0.375 nan 8.230 nan 0.000 0.455 506 N N -2.161 116.457 118.700 -0.137 0.000 2.697 506 N HA 0.230 4.970 4.740 -0.001 0.000 0.272 506 N C 0.736 176.143 175.510 -0.172 0.000 1.381 506 N CA -0.443 52.467 53.050 -0.234 0.000 0.797 506 N CB 0.601 39.016 38.487 -0.121 0.000 1.523 506 N HN 0.048 nan 8.380 nan 0.000 0.518 507 T N -4.006 110.408 114.554 -0.232 0.000 2.996 507 T HA -0.067 4.282 4.350 -0.001 0.000 0.271 507 T C 0.331 175.008 174.700 -0.038 0.000 1.126 507 T CA 0.844 62.853 62.100 -0.150 0.000 1.103 507 T CB -0.548 68.237 68.868 -0.138 0.000 0.870 507 T HN 0.452 nan 8.240 nan 0.000 0.528 508 E N 1.766 121.961 120.200 -0.009 0.000 2.314 508 E HA 0.380 4.729 4.350 -0.001 0.000 0.262 508 E C -2.775 173.835 176.600 0.016 0.000 1.093 508 E CA -2.099 54.310 56.400 0.016 0.000 0.908 508 E CB 0.319 30.040 29.700 0.034 0.000 1.091 508 E HN 0.351 nan 8.360 nan 0.000 0.425 509 P HA 0.031 nan 4.420 nan 0.000 0.264 509 P C 0.092 177.406 177.300 0.023 0.000 1.229 509 P CA 0.174 63.290 63.100 0.026 0.000 0.780 509 P CB -0.347 31.368 31.700 0.024 0.000 0.808 510 M N 2.537 122.157 119.600 0.033 0.000 2.175 510 M HA -0.043 4.436 4.480 -0.001 0.000 0.355 510 M C -0.080 176.200 176.300 -0.033 0.000 1.102 510 M CA 0.865 56.174 55.300 0.014 0.000 0.886 510 M CB 0.318 32.948 32.600 0.050 0.000 1.730 510 M HN 0.087 nan 8.290 nan 0.000 0.475 511 K N 3.910 124.246 120.400 -0.107 0.000 2.426 511 K HA 0.712 5.031 4.320 -0.001 0.000 0.251 511 K C -1.864 174.460 176.600 -0.460 0.000 0.941 511 K CA -0.770 55.372 56.287 -0.242 0.000 0.808 511 K CB 2.243 34.607 32.500 -0.226 0.000 1.265 511 K HN 0.676 nan 8.250 nan 0.000 0.432 512 V N 4.956 124.585 119.914 -0.476 0.000 2.394 512 V HA 0.517 4.637 4.120 -0.001 0.000 0.282 512 V C -0.088 175.584 176.094 -0.704 0.000 1.031 512 V CA -0.590 61.413 62.300 -0.494 0.000 0.881 512 V CB 1.067 32.760 31.823 -0.216 0.000 0.982 512 V HN 0.905 nan 8.190 nan 0.000 0.451 513 H N 3.075 121.787 119.070 -0.597 0.000 2.771 513 H HA 0.671 5.226 4.556 -0.001 0.000 0.344 513 H C -0.790 174.267 175.328 -0.452 0.000 1.260 513 H CA -0.768 54.920 56.048 -0.600 0.000 1.276 513 H CB 2.066 31.338 29.762 -0.818 0.000 1.881 513 H HN 0.561 nan 8.280 nan 0.000 0.615 514 Q N -0.126 119.709 119.800 0.058 0.000 2.458 514 Q HA 0.376 4.715 4.340 -0.001 0.000 0.282 514 Q C -0.702 175.522 176.000 0.372 0.000 1.106 514 Q CA -0.970 54.953 55.803 0.201 0.000 0.814 514 Q CB 2.452 31.244 28.738 0.091 0.000 1.425 514 Q HN 0.431 nan 8.270 nan 0.000 0.437 515 R N 0.967 121.660 120.500 0.321 0.000 2.788 515 R HA -0.218 4.122 4.340 -0.001 0.000 0.258 515 R C -0.780 175.659 176.300 0.231 0.000 0.895 515 R CA -0.132 56.119 56.100 0.251 0.000 0.702 515 R CB -1.172 29.219 30.300 0.152 0.000 1.661 515 R HN 0.354 nan 8.270 nan 0.000 0.520 516 L N 2.958 124.262 121.223 0.135 0.000 2.615 516 L HA -0.004 4.336 4.340 -0.001 0.000 0.271 516 L C 0.670 177.500 176.870 -0.067 0.000 1.183 516 L CA 0.596 55.310 54.840 -0.211 0.000 0.933 516 L CB -0.061 41.623 42.059 -0.625 0.000 1.199 516 L HN 0.522 nan 8.230 nan 0.000 0.487 517 R N 2.594 123.061 120.500 -0.055 0.000 3.184 517 R HA -0.197 4.142 4.340 -0.001 0.000 0.242 517 R C 1.161 177.516 176.300 0.091 0.000 0.907 517 R CA 0.530 56.646 56.100 0.026 0.000 0.618 517 R CB -1.750 28.581 30.300 0.051 0.000 1.016 517 R HN 0.721 nan 8.270 nan 0.000 0.469 518 V N -1.281 118.688 119.914 0.090 0.000 2.220 518 V HA -0.359 3.761 4.120 -0.001 0.000 0.246 518 V C 2.323 178.489 176.094 0.119 0.000 1.049 518 V CA 2.136 64.502 62.300 0.111 0.000 1.003 518 V CB -0.563 31.317 31.823 0.096 0.000 0.634 518 V HN 0.380 nan 8.190 nan 0.000 0.444 519 Q N -0.423 119.427 119.800 0.084 0.000 2.028 519 Q HA -0.257 4.083 4.340 -0.001 0.000 0.213 519 Q C 2.239 178.302 176.000 0.104 0.000 1.017 519 Q CA 2.617 58.456 55.803 0.060 0.000 0.875 519 Q CB -0.439 28.304 28.738 0.009 0.000 0.962 519 Q HN 0.507 nan 8.270 nan 0.000 0.413 520 M N -1.129 118.554 119.600 0.137 0.000 2.149 520 M HA -0.172 4.307 4.480 -0.001 0.000 0.261 520 M C 2.344 178.950 176.300 0.510 0.000 1.064 520 M CA 1.124 56.594 55.300 0.283 0.000 1.102 520 M CB -1.193 31.634 32.600 0.377 0.000 1.369 520 M HN 0.374 nan 8.290 nan 0.000 0.408 521 c N -0.714 118.120 118.600 0.390 0.000 2.514 521 c HA 0.030 4.600 4.570 -0.001 0.000 0.271 521 c C 2.904 177.187 174.090 0.323 0.000 1.399 521 c CA -0.013 56.557 56.329 0.403 0.000 1.765 521 c CB -0.773 41.895 42.510 0.265 0.000 1.893 521 c HN 0.310 nan 8.230 nan 0.000 0.531 522 V N 0.668 120.736 119.914 0.255 0.000 2.358 522 V HA -0.203 3.917 4.120 -0.001 0.000 0.246 522 V C 2.067 178.294 176.094 0.223 0.000 1.047 522 V CA 2.200 64.621 62.300 0.202 0.000 1.035 522 V CB -0.736 31.177 31.823 0.150 0.000 0.658 522 V HN 0.574 nan 8.190 nan 0.000 0.452 523 F N -0.131 119.873 119.950 0.090 0.000 2.069 523 F HA -0.227 4.299 4.527 -0.001 0.000 0.298 523 F C 1.990 177.816 175.800 0.043 0.000 1.113 523 F CA 1.885 59.903 58.000 0.030 0.000 1.214 523 F CB -0.466 38.423 39.000 -0.185 0.000 0.978 523 F HN 0.179 nan 8.300 nan 0.000 0.474 524 W N 0.417 121.774 121.300 0.095 0.000 2.418 524 W HA -0.108 4.552 4.660 -0.001 0.000 0.292 524 W C 2.205 178.691 176.519 -0.055 0.000 1.213 524 W CA 0.811 58.148 57.345 -0.014 0.000 1.283 524 W CB -0.372 29.220 29.460 0.220 0.000 1.119 524 W HN -0.032 nan 8.180 nan 0.000 0.542 525 N N -0.706 118.130 118.700 0.226 0.000 2.409 525 N HA -0.024 4.715 4.740 -0.001 0.000 0.174 525 N C 1.357 176.884 175.510 0.028 0.000 1.037 525 N CA 1.041 54.143 53.050 0.088 0.000 0.898 525 N CB -0.040 38.522 38.487 0.124 0.000 1.010 525 N HN 0.337 nan 8.380 nan 0.000 0.445 526 Q N -1.327 118.508 119.800 0.058 0.000 2.619 526 Q HA 0.212 4.552 4.340 -0.001 0.000 0.230 526 Q C 1.254 177.264 176.000 0.018 0.000 0.871 526 Q CA -0.108 55.723 55.803 0.048 0.000 0.934 526 Q CB 0.100 28.899 28.738 0.102 0.000 1.183 526 Q HN 0.122 nan 8.270 nan 0.000 0.631 527 F N 1.656 121.533 119.950 -0.121 0.000 2.039 527 F HA -0.164 4.363 4.527 -0.001 0.000 0.294 527 F C 1.905 177.547 175.800 -0.263 0.000 1.130 527 F CA 0.989 58.897 58.000 -0.153 0.000 1.189 527 F CB -0.427 38.518 39.000 -0.090 0.000 0.983 527 F HN 0.058 nan 8.300 nan 0.000 0.471 528 L N 1.424 122.255 121.223 -0.653 0.000 1.978 528 L HA -0.156 4.184 4.340 -0.001 0.000 0.218 528 L C -0.771 175.826 176.870 -0.455 0.000 1.075 528 L CA 2.432 56.833 54.840 -0.732 0.000 0.767 528 L CB -2.138 39.398 42.059 -0.872 0.000 0.890 528 L HN 0.045 nan 8.230 nan 0.000 0.434 529 P HA -0.249 nan 4.420 nan 0.000 0.216 529 P C 1.557 178.741 177.300 -0.194 0.000 1.154 529 P CA 1.893 64.895 63.100 -0.163 0.000 0.865 529 P CB -0.109 31.529 31.700 -0.104 0.000 0.789 530 K N -0.730 119.518 120.400 -0.254 0.000 2.001 530 K HA -0.152 4.168 4.320 -0.001 0.000 0.208 530 K C 2.017 178.437 176.600 -0.300 0.000 1.048 530 K CA 1.092 57.238 56.287 -0.235 0.000 0.932 530 K CB -0.855 31.517 32.500 -0.214 0.000 0.715 530 K HN -0.086 nan 8.250 nan 0.000 0.437 531 L N 1.951 122.859 121.223 -0.526 0.000 1.963 531 L HA -0.222 4.118 4.340 -0.001 0.000 0.220 531 L C 2.024 178.739 176.870 -0.258 0.000 1.076 531 L CA 1.799 56.359 54.840 -0.467 0.000 0.772 531 L CB -0.790 40.860 42.059 -0.682 0.000 0.892 531 L HN 0.274 nan 8.230 nan 0.000 0.435 532 L N -0.328 120.753 121.223 -0.237 0.000 2.187 532 L HA -0.235 4.104 4.340 -0.001 0.000 0.213 532 L C 2.322 179.130 176.870 -0.103 0.000 1.100 532 L CA 1.597 56.349 54.840 -0.145 0.000 0.765 532 L CB -0.667 41.318 42.059 -0.125 0.000 0.904 532 L HN 0.526 nan 8.230 nan 0.000 0.437 533 N N -0.304 118.330 118.700 -0.111 0.000 2.135 533 N HA -0.115 4.624 4.740 -0.001 0.000 0.186 533 N C 1.853 177.322 175.510 -0.068 0.000 1.027 533 N CA 1.232 54.237 53.050 -0.075 0.000 0.849 533 N CB -0.028 38.416 38.487 -0.072 0.000 1.002 533 N HN 0.245 nan 8.380 nan 0.000 0.425 534 A N -0.020 122.748 122.820 -0.087 0.000 1.841 534 A HA -0.096 4.224 4.320 -0.001 0.000 0.216 534 A C 1.588 179.140 177.584 -0.054 0.000 1.199 534 A CA 1.953 53.950 52.037 -0.067 0.000 0.621 534 A CB -1.768 17.186 19.000 -0.077 0.000 0.835 534 A HN 0.589 nan 8.150 nan 0.000 0.445 535 T N 0.000 114.515 114.554 -0.065 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.071 62.100 -0.048 0.000 1.349 535 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658