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 1amn_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 A 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 0.000 174.653 174.600 0.088 0.000 1.055 4 S CA 0.000 58.234 58.200 0.057 0.000 1.107 4 S CB 0.000 63.232 63.200 0.053 0.000 0.593 5 E N 0.865 121.125 120.200 0.101 0.000 2.147 5 E HA -0.293 nan 4.350 nan 0.000 0.199 5 E C 1.813 178.564 176.600 0.252 0.000 1.005 5 E CA 2.760 59.254 56.400 0.156 0.000 0.810 5 E CB -0.174 29.613 29.700 0.145 0.000 0.736 5 E HN 0.537 8.946 8.360 0.081 0.000 0.460 6 L N -2.553 118.781 121.223 0.185 0.000 2.156 6 L HA -0.117 nan 4.340 nan 0.000 0.208 6 L C -0.241 176.825 176.870 0.326 0.000 1.095 6 L CA 1.545 56.504 54.840 0.198 0.000 0.770 6 L CB -0.114 41.976 42.059 0.051 0.000 0.914 6 L HN -0.122 8.169 8.230 0.121 0.011 0.439 7 L N -1.471 119.882 121.223 0.216 0.000 2.292 7 L HA 0.427 nan 4.340 nan 0.000 0.284 7 L C -1.632 175.311 176.870 0.121 0.000 1.065 7 L CA -0.326 54.627 54.840 0.187 0.000 0.806 7 L CB 0.647 42.771 42.059 0.108 0.000 1.175 7 L HN -0.543 7.673 8.230 0.159 0.109 0.431 8 V N 5.716 125.677 119.914 0.079 0.000 2.925 8 V HA 0.266 nan 4.120 nan 0.000 0.311 8 V C -1.762 174.255 176.094 -0.130 0.000 1.104 8 V CA -0.977 61.236 62.300 -0.146 0.000 0.954 8 V CB 4.194 35.700 31.823 -0.529 0.000 1.022 8 V HN 0.691 8.987 8.190 0.177 0.000 0.427 9 N N 4.137 122.688 118.700 -0.248 0.000 2.444 9 N HA 0.487 nan 4.740 nan 0.000 0.262 9 N C -1.266 173.956 175.510 -0.480 0.000 0.974 9 N CA -0.063 52.809 53.050 -0.296 0.000 0.933 9 N CB 1.770 40.052 38.487 -0.342 0.000 1.137 9 N HN 0.175 8.375 8.380 -0.301 0.000 0.498 10 T N 0.369 114.761 114.554 -0.270 0.000 2.930 10 T HA 0.588 nan 4.350 nan 0.000 0.290 10 T C 0.973 175.544 174.700 -0.215 0.000 1.052 10 T CA -1.670 60.347 62.100 -0.139 0.000 1.017 10 T CB 3.388 72.352 68.868 0.159 0.000 1.137 10 T HN 0.457 8.482 8.240 -0.166 0.115 0.511 11 K N 1.513 121.851 120.400 -0.103 0.000 2.228 11 K HA -0.307 nan 4.320 nan 0.000 0.205 11 K C 1.306 177.766 176.600 -0.233 0.000 1.045 11 K CA 2.987 59.186 56.287 -0.148 0.000 0.931 11 K CB -0.200 32.243 32.500 -0.094 0.000 0.727 11 K HN 0.633 9.217 8.250 0.103 -0.272 0.458 12 S N -3.288 112.235 115.700 -0.295 0.000 2.501 12 S HA 0.049 nan 4.470 nan 0.000 0.220 12 S C -0.737 173.156 174.600 -1.179 0.000 0.997 12 S CA 0.733 58.604 58.200 -0.549 0.000 0.919 12 S CB 1.469 64.464 63.200 -0.341 0.000 0.778 12 S HN -0.537 7.605 8.310 -0.214 0.039 0.523 13 G N -1.445 106.835 108.800 -0.867 0.000 2.368 13 G HA2 -0.130 nan 3.960 nan 0.000 0.302 13 G HA3 -0.130 nan 3.960 nan 0.000 0.302 13 G C -3.411 171.392 174.900 -0.162 0.000 1.329 13 G CA -0.100 44.504 45.100 -0.828 0.000 0.935 13 G HN -0.235 7.598 8.290 -0.493 0.161 0.590 14 K N -1.749 118.746 120.400 0.158 0.000 2.138 14 K HA 0.818 nan 4.320 nan 0.000 0.263 14 K C -0.653 176.295 176.600 0.579 0.000 0.965 14 K CA -1.514 54.934 56.287 0.269 0.000 0.868 14 K CB 1.833 34.416 32.500 0.137 0.000 1.083 14 K HN 0.279 8.623 8.250 0.157 0.000 0.443 15 V N -3.032 117.178 119.914 0.492 0.000 2.680 15 V HA 0.806 nan 4.120 nan 0.000 0.309 15 V C -1.901 174.469 176.094 0.461 0.000 1.052 15 V CA -3.124 59.516 62.300 0.566 0.000 0.908 15 V CB 2.436 34.661 31.823 0.671 0.000 1.001 15 V HN 0.858 9.145 8.190 0.333 0.103 0.431 16 M N 5.495 125.323 119.600 0.381 0.000 2.129 16 M HA 0.602 nan 4.480 nan 0.000 0.348 16 M C -1.143 175.293 176.300 0.227 0.000 1.116 16 M CA -1.820 53.639 55.300 0.266 0.000 1.022 16 M CB 2.008 34.690 32.600 0.137 0.000 1.599 16 M HN 0.412 8.815 8.290 0.365 0.106 0.449 17 G N 5.600 114.459 108.800 0.099 0.000 2.695 17 G HA2 0.610 nan 3.960 nan 0.000 0.213 17 G HA3 0.610 nan 3.960 nan 0.000 0.213 17 G C -1.355 173.353 174.900 -0.319 0.000 1.406 17 G CA -1.166 43.691 45.100 -0.405 0.000 1.049 17 G HN 0.486 8.777 8.290 0.197 0.118 0.573 18 T N -0.983 113.307 114.554 -0.439 0.000 2.853 18 T HA 0.352 nan 4.350 nan 0.000 0.311 18 T C -2.310 172.271 174.700 -0.198 0.000 1.307 18 T CA -0.194 61.764 62.100 -0.236 0.000 1.019 18 T CB 3.559 72.307 68.868 -0.200 0.000 1.264 18 T HN 0.200 8.011 8.240 -0.716 0.000 0.497 19 R N 2.697 123.152 120.500 -0.074 0.000 2.239 19 R HA 0.700 nan 4.340 nan 0.000 0.332 19 R C -1.132 175.188 176.300 0.032 0.000 0.988 19 R CA -0.777 55.330 56.100 0.011 0.000 0.859 19 R CB 0.432 30.785 30.300 0.088 0.000 1.148 19 R HN 0.241 8.481 8.270 -0.050 0.000 0.482 20 V N 6.525 126.425 119.914 -0.023 0.000 2.607 20 V HA 0.272 nan 4.120 nan 0.000 0.289 20 V C -1.871 174.051 176.094 -0.286 0.000 1.053 20 V CA -2.930 59.313 62.300 -0.094 0.000 0.996 20 V CB 0.878 32.694 31.823 -0.011 0.000 0.995 20 V HN 0.457 8.641 8.190 -0.009 0.000 0.476 21 P HA 0.227 nan 4.420 nan 0.000 0.285 21 P C -2.539 174.479 177.300 -0.470 0.000 1.259 21 P CA -0.644 61.917 63.100 -0.897 0.000 0.794 21 P CB 0.555 31.811 31.700 -0.739 0.000 0.940 22 V N 4.365 124.017 119.914 -0.437 0.000 2.524 22 V HA 0.435 nan 4.120 nan 0.000 0.297 22 V C -1.479 174.325 176.094 -0.485 0.000 1.035 22 V CA -1.460 60.565 62.300 -0.459 0.000 0.867 22 V CB 1.586 33.113 31.823 -0.493 0.000 1.004 22 V HN -0.304 7.506 8.190 -0.429 0.122 0.426 23 L N 3.564 124.607 121.223 -0.299 0.000 6.706 23 L HA -0.445 nan 4.340 nan 0.000 0.053 23 L C 0.661 177.434 176.870 -0.161 0.000 1.950 23 L CA 1.749 56.466 54.840 -0.204 0.000 1.620 23 L CB -1.438 40.447 42.059 -0.290 0.000 2.781 23 L HN 0.453 8.555 8.230 -0.213 0.000 1.068 24 S N 0.420 116.047 115.700 -0.122 0.000 2.406 24 S HA -0.149 nan 4.470 nan 0.000 0.228 24 S C 0.965 175.576 174.600 0.018 0.000 1.020 24 S CA 1.683 59.865 58.200 -0.029 0.000 0.965 24 S CB 0.234 63.441 63.200 0.012 0.000 0.798 24 S HN 0.435 8.663 8.310 -0.137 0.000 0.488 25 S N 2.723 118.403 115.700 -0.033 0.000 2.397 25 S HA 0.245 nan 4.470 nan 0.000 0.261 25 S C -0.764 173.956 174.600 0.200 0.000 1.187 25 S CA 0.398 58.666 58.200 0.112 0.000 1.023 25 S CB 1.541 64.844 63.200 0.172 0.000 1.103 25 S HN -0.645 7.524 8.310 -0.192 0.025 0.474 26 H N -0.663 118.412 119.070 0.008 0.000 2.960 26 H HA 0.640 nan 4.556 nan 0.000 0.338 26 H C -1.755 173.622 175.328 0.081 0.000 1.261 26 H CA 0.031 56.087 56.048 0.013 0.000 1.136 26 H CB 4.058 33.831 29.762 0.017 0.000 1.875 26 H HN -0.035 8.405 8.280 0.265 0.000 0.550 27 I N -2.305 118.360 120.570 0.158 0.000 3.149 27 I HA 0.164 nan 4.170 nan 0.000 0.310 27 I C -2.381 173.818 176.117 0.136 0.000 1.343 27 I CA -1.628 59.779 61.300 0.178 0.000 0.955 27 I CB 5.318 43.436 38.000 0.196 0.000 1.309 27 I HN 0.764 9.040 8.210 0.110 0.000 0.478 28 S N 1.943 117.733 115.700 0.150 0.000 2.475 28 S HA 0.683 nan 4.470 nan 0.000 0.298 28 S C -2.075 172.508 174.600 -0.027 0.000 1.119 28 S CA -1.254 56.962 58.200 0.026 0.000 1.085 28 S CB 1.440 64.694 63.200 0.090 0.000 1.028 28 S HN 0.295 8.732 8.310 0.211 0.000 0.489 29 A N 3.407 126.053 122.820 -0.290 0.000 2.371 29 A HA 0.861 nan 4.320 nan 0.000 0.311 29 A C -2.493 174.694 177.584 -0.661 0.000 1.068 29 A CA -1.250 50.543 52.037 -0.407 0.000 0.744 29 A CB 3.084 21.860 19.000 -0.372 0.000 1.239 29 A HN 1.179 9.001 8.150 -0.349 0.119 0.435 30 F N 1.478 121.304 119.950 -0.206 0.000 2.382 30 F HA 0.516 nan 4.527 nan 0.000 0.361 30 F C -1.725 173.943 175.800 -0.220 0.000 1.109 30 F CA -1.521 56.438 58.000 -0.067 0.000 1.031 30 F CB 1.968 41.047 39.000 0.133 0.000 1.234 30 F HN 0.881 9.056 8.300 -0.208 0.000 0.445 31 L N 3.097 124.255 121.223 -0.110 0.000 2.305 31 L HA 0.611 nan 4.340 nan 0.000 0.284 31 L C -0.031 176.856 176.870 0.028 0.000 1.013 31 L CA -0.848 53.898 54.840 -0.156 0.000 0.819 31 L CB 0.795 42.631 42.059 -0.372 0.000 1.227 31 L HN 0.787 8.838 8.230 -0.096 0.121 0.417 32 G N 1.748 110.604 108.800 0.094 0.000 2.204 32 G HA2 -0.395 nan 3.960 nan 0.000 0.244 32 G HA3 -0.395 nan 3.960 nan 0.000 0.244 32 G C -0.506 174.585 174.900 0.319 0.000 1.062 32 G CA 0.025 45.251 45.100 0.209 0.000 0.798 32 G HN 0.586 9.148 8.290 0.066 -0.232 0.496 33 I N 0.907 121.516 120.570 0.065 0.000 2.471 33 I HA 0.024 nan 4.170 nan 0.000 0.286 33 I C -1.453 174.393 176.117 -0.451 0.000 1.079 33 I CA -2.318 58.813 61.300 -0.282 0.000 1.398 33 I CB 0.204 38.029 38.000 -0.291 0.000 1.403 33 I HN 0.170 8.404 8.210 0.039 0.000 0.530 34 P HA 0.148 nan 4.420 nan 0.000 0.275 34 P C -1.663 175.251 177.300 -0.643 0.000 1.228 34 P CA -0.105 62.383 63.100 -1.020 0.000 0.786 34 P CB 0.614 31.634 31.700 -1.133 0.000 0.927 35 F N -4.937 114.680 119.950 -0.556 0.000 2.915 35 F HA 0.336 nan 4.527 nan 0.000 0.347 35 F C -1.803 173.908 175.800 -0.148 0.000 1.104 35 F CA -1.582 56.187 58.000 -0.385 0.000 1.126 35 F CB 2.327 41.053 39.000 -0.455 0.000 1.145 35 F HN -0.546 7.061 8.300 -1.155 0.000 0.541 36 A N -1.062 121.578 122.820 -0.300 0.000 2.604 36 A HA 0.118 nan 4.320 nan 0.000 0.295 36 A C -1.681 175.776 177.584 -0.212 0.000 1.067 36 A CA -0.270 51.689 52.037 -0.131 0.000 0.683 36 A CB 2.248 21.196 19.000 -0.087 0.000 1.281 36 A HN -0.822 6.951 8.150 -0.628 0.000 0.407 37 E N 1.110 121.259 120.200 -0.086 0.000 2.414 37 E HA 0.062 nan 4.350 nan 0.000 0.263 37 E C -1.300 175.242 176.600 -0.097 0.000 1.000 37 E CA -2.222 54.135 56.400 -0.070 0.000 0.914 37 E CB -0.138 29.555 29.700 -0.011 0.000 0.948 37 E HN -0.127 8.100 8.360 -0.025 0.118 0.444 38 P HA -0.028 nan 4.420 nan 0.000 0.255 38 P C -1.088 176.185 177.300 -0.045 0.000 1.173 38 P CA -0.575 62.486 63.100 -0.065 0.000 0.780 38 P CB -0.412 31.283 31.700 -0.008 0.000 0.758 39 P HA -0.042 nan 4.420 nan 0.000 0.285 39 P C -1.132 176.133 177.300 -0.058 0.000 1.521 39 P CA -0.371 62.701 63.100 -0.047 0.000 0.792 39 P CB -1.451 30.224 31.700 -0.042 0.000 1.613 40 V N -6.319 113.568 119.914 -0.044 0.000 3.234 40 V HA 0.330 nan 4.120 nan 0.000 0.317 40 V C 0.242 176.319 176.094 -0.028 0.000 1.081 40 V CA -2.188 60.086 62.300 -0.044 0.000 1.037 40 V CB 1.592 33.398 31.823 -0.029 0.000 1.148 40 V HN -0.383 7.666 8.190 -0.032 0.121 0.453 41 G N -1.772 107.017 108.800 -0.019 0.000 2.553 41 G HA2 -0.464 nan 3.960 nan 0.000 0.242 41 G HA3 -0.464 nan 3.960 nan 0.000 0.242 41 G C -0.612 174.288 174.900 -0.000 0.000 1.277 41 G CA 0.107 45.206 45.100 -0.001 0.000 0.910 41 G HN 0.232 8.509 8.290 -0.022 0.000 0.576 42 N N 0.891 119.600 118.700 0.014 0.000 2.575 42 N HA -0.077 nan 4.740 nan 0.000 0.192 42 N C 0.707 176.229 175.510 0.021 0.000 1.200 42 N CA 1.443 54.509 53.050 0.026 0.000 0.897 42 N CB -0.294 38.208 38.487 0.025 0.000 0.990 42 N HN 0.312 8.701 8.380 0.015 0.000 0.449 43 M N -2.954 116.646 119.600 -0.000 0.000 2.561 43 M HA -0.073 nan 4.480 nan 0.000 0.238 43 M C -0.136 176.145 176.300 -0.031 0.000 1.131 43 M CA 0.002 55.301 55.300 -0.001 0.000 1.046 43 M CB 0.713 33.310 32.600 -0.004 0.000 1.532 43 M HN -0.658 7.528 8.290 -0.008 0.099 0.497 44 R N 0.275 120.717 120.500 -0.097 0.000 2.570 44 R HA -0.294 nan 4.340 nan 0.000 0.277 44 R C -0.122 176.022 176.300 -0.261 0.000 1.039 44 R CA 2.236 58.158 56.100 -0.298 0.000 1.065 44 R CB 0.228 30.231 30.300 -0.495 0.000 0.964 44 R HN -0.641 7.524 8.270 -0.074 0.061 0.428 45 F N -0.413 119.572 119.950 0.058 0.000 2.558 45 F HA -0.470 nan 4.527 nan 0.000 0.554 45 F C -0.346 175.452 175.800 -0.004 0.000 0.517 45 F CA 2.589 60.593 58.000 0.006 0.000 1.084 45 F CB -1.911 37.076 39.000 -0.021 0.000 1.821 45 F HN 0.620 8.799 8.300 -0.202 0.000 0.262 46 R N -2.009 118.577 120.500 0.143 0.000 2.774 46 R HA -0.022 nan 4.340 nan 0.000 0.269 46 R C 0.208 176.544 176.300 0.059 0.000 1.068 46 R CA -0.560 55.592 56.100 0.087 0.000 1.180 46 R CB 0.476 30.810 30.300 0.058 0.000 1.077 46 R HN -0.697 7.408 8.270 0.102 0.227 0.513 47 R N 1.012 121.541 120.500 0.048 0.000 2.615 47 R HA 0.289 nan 4.340 nan 0.000 0.270 47 R C -1.731 174.596 176.300 0.045 0.000 1.081 47 R CA -1.345 54.780 56.100 0.043 0.000 1.154 47 R CB -0.491 29.837 30.300 0.046 0.000 1.063 47 R HN 0.403 8.702 8.270 0.048 0.000 0.519 48 P HA 0.083 nan 4.420 nan 0.000 0.277 48 P C -1.960 175.377 177.300 0.062 0.000 1.240 48 P CA -0.607 62.527 63.100 0.058 0.000 0.798 48 P CB 0.906 32.664 31.700 0.097 0.000 0.979 49 E N 0.708 120.937 120.200 0.048 0.000 2.232 49 E HA 0.476 nan 4.350 nan 0.000 0.264 49 E C -1.965 174.678 176.600 0.072 0.000 0.973 49 E CA -3.110 53.322 56.400 0.053 0.000 0.849 49 E CB 1.178 30.900 29.700 0.038 0.000 1.198 49 E HN 0.138 8.515 8.360 0.029 0.000 0.407 50 P HA 0.025 nan 4.420 nan 0.000 0.278 50 P C -1.893 175.471 177.300 0.107 0.000 1.238 50 P CA -0.610 62.564 63.100 0.123 0.000 0.794 50 P CB 0.519 32.288 31.700 0.115 0.000 0.955 51 K N 3.014 123.498 120.400 0.140 0.000 2.436 51 K HA -0.142 nan 4.320 nan 0.000 0.282 51 K C 0.002 176.690 176.600 0.146 0.000 1.044 51 K CA -0.296 56.067 56.287 0.127 0.000 1.028 51 K CB -0.112 32.492 32.500 0.173 0.000 0.919 51 K HN 0.165 8.534 8.250 0.198 0.000 0.474 52 K N 8.415 128.890 120.400 0.124 0.000 2.412 52 K HA -0.011 nan 4.320 nan 0.000 0.281 52 K C -1.616 175.074 176.600 0.149 0.000 1.027 52 K CA -1.379 54.974 56.287 0.109 0.000 0.989 52 K CB -0.779 31.781 32.500 0.100 0.000 0.935 52 K HN -0.435 8.144 8.250 0.106 -0.266 0.475 53 P HA -0.080 nan 4.420 nan 0.000 0.264 53 P C -1.754 175.588 177.300 0.070 0.000 1.179 53 P CA 0.203 63.243 63.100 -0.099 0.000 0.763 53 P CB 0.318 31.939 31.700 -0.131 0.000 0.806 54 W N 3.053 124.423 121.300 0.117 0.000 2.578 54 W HA 0.326 nan 4.660 nan 0.000 0.353 54 W C -1.298 175.306 176.519 0.141 0.000 1.088 54 W CA -1.968 55.475 57.345 0.163 0.000 1.235 54 W CB 0.527 30.160 29.460 0.289 0.000 1.362 54 W HN 0.154 7.855 8.180 -0.798 0.000 0.592 55 S N 1.706 117.641 115.700 0.392 0.000 2.508 55 S HA 0.141 nan 4.470 nan 0.000 0.284 55 S C -0.041 174.743 174.600 0.306 0.000 1.192 55 S CA -0.536 57.813 58.200 0.248 0.000 1.070 55 S CB 0.112 63.411 63.200 0.165 0.000 1.004 55 S HN 0.124 8.694 8.310 0.433 0.000 0.493 56 G N 1.265 110.209 108.800 0.239 0.000 2.828 56 G HA2 -0.306 nan 3.960 nan 0.000 0.463 56 G HA3 -0.306 nan 3.960 nan 0.000 0.463 56 G C -1.719 173.383 174.900 0.337 0.000 1.394 56 G CA -0.760 44.470 45.100 0.217 0.000 0.862 56 G HN -0.110 8.289 8.290 0.182 0.000 0.540 57 V N -0.134 119.924 119.914 0.240 0.000 2.583 57 V HA -0.011 nan 4.120 nan 0.000 0.287 57 V C -0.149 176.086 176.094 0.236 0.000 1.051 57 V CA -0.455 62.020 62.300 0.291 0.000 1.010 57 V CB 0.684 32.619 31.823 0.186 0.000 0.988 57 V HN -0.008 8.276 8.190 0.157 0.000 0.478 58 W N 8.795 130.171 121.300 0.128 0.000 2.342 58 W HA 0.097 nan 4.660 nan 0.000 0.310 58 W C -1.790 174.710 176.519 -0.030 0.000 1.128 58 W CA -1.095 56.148 57.345 -0.169 0.000 1.322 58 W CB 0.850 29.924 29.460 -0.644 0.000 1.251 58 W HN 0.549 9.117 8.180 0.647 0.000 0.439 59 N N 8.065 126.535 118.700 -0.382 0.000 2.427 59 N HA -0.059 nan 4.740 nan 0.000 0.269 59 N C -0.849 174.610 175.510 -0.084 0.000 1.235 59 N CA 0.309 53.251 53.050 -0.180 0.000 0.934 59 N CB 0.184 38.526 38.487 -0.242 0.000 1.121 59 N HN 0.396 8.387 8.380 -0.648 0.000 0.480 60 A N 8.290 131.190 122.820 0.135 0.000 3.257 60 A HA 0.407 nan 4.320 nan 0.000 0.308 60 A C -0.825 176.764 177.584 0.008 0.000 1.175 60 A CA -1.111 51.044 52.037 0.196 0.000 1.018 60 A CB -0.559 18.683 19.000 0.404 0.000 1.088 60 A HN 1.014 9.146 8.150 0.147 0.107 0.567 61 S N -1.370 114.291 115.700 -0.066 0.000 2.512 61 S HA 0.153 nan 4.470 nan 0.000 0.216 61 S C -0.027 174.471 174.600 -0.170 0.000 1.006 61 S CA 0.927 59.047 58.200 -0.133 0.000 0.915 61 S CB 1.407 64.540 63.200 -0.111 0.000 0.824 61 S HN -0.163 8.049 8.310 -0.064 0.060 0.497 62 T N -0.053 114.413 114.554 -0.146 0.000 2.906 62 T HA 0.165 nan 4.350 nan 0.000 0.295 62 T C -1.313 173.325 174.700 -0.102 0.000 1.061 62 T CA -0.729 61.281 62.100 -0.149 0.000 1.000 62 T CB 2.170 70.990 68.868 -0.080 0.000 1.103 62 T HN -0.959 7.218 8.240 -0.104 0.000 0.486 63 Y N 1.439 121.722 120.300 -0.028 0.000 2.712 63 Y HA -0.057 nan 4.550 nan 0.000 0.333 63 Y C 0.026 175.879 175.900 -0.078 0.000 1.225 63 Y CA -1.879 56.209 58.100 -0.020 0.000 1.499 63 Y CB -0.296 38.172 38.460 0.014 0.000 1.288 63 Y HN 0.245 8.510 8.280 -0.025 0.000 0.575 64 P HA 0.017 nan 4.420 nan 0.000 0.276 64 P C -1.483 175.753 177.300 -0.107 0.000 1.261 64 P CA -0.947 62.050 63.100 -0.172 0.000 0.800 64 P CB 1.011 32.499 31.700 -0.352 0.000 1.066 65 N N -1.165 117.427 118.700 -0.181 0.000 2.374 65 N HA -0.194 nan 4.740 nan 0.000 0.241 65 N C -0.331 175.155 175.510 -0.041 0.000 1.262 65 N CA 0.971 53.966 53.050 -0.093 0.000 0.880 65 N CB 0.638 39.069 38.487 -0.093 0.000 1.105 65 N HN 0.225 8.416 8.380 -0.314 0.000 0.438 66 N N -0.215 118.466 118.700 -0.033 0.000 2.476 66 N HA 0.249 nan 4.740 nan 0.000 0.275 66 N C -0.277 175.223 175.510 -0.017 0.000 1.190 66 N CA -0.693 52.347 53.050 -0.018 0.000 0.977 66 N CB 1.797 40.256 38.487 -0.046 0.000 1.200 66 N HN -0.305 8.049 8.380 -0.044 0.000 0.515 67 c N -0.403 118.197 118.600 -0.001 0.000 2.649 67 c HA -0.016 nan 4.570 nan 0.000 0.377 67 c C -0.079 173.981 174.090 -0.050 0.000 1.321 67 c CA 1.085 57.402 56.329 -0.020 0.000 2.368 67 c CB -0.150 42.380 42.510 0.033 0.000 2.597 67 c HN 0.456 8.692 8.230 0.009 0.000 0.678 68 Q N 2.941 122.650 119.800 -0.151 0.000 2.289 68 Q HA -0.110 nan 4.340 nan 0.000 0.273 68 Q C -1.309 174.720 176.000 0.049 0.000 1.029 68 Q CA 1.086 56.789 55.803 -0.167 0.000 0.896 68 Q CB 0.326 28.706 28.738 -0.596 0.000 1.182 68 Q HN 0.327 8.454 8.270 -0.238 0.000 0.385 69 Q N 0.085 119.975 119.800 0.151 0.000 2.782 69 Q HA 0.301 nan 4.340 nan 0.000 0.308 69 Q C -2.110 174.087 176.000 0.328 0.000 0.883 69 Q CA -1.837 54.138 55.803 0.286 0.000 0.755 69 Q CB 2.740 31.610 28.738 0.221 0.000 1.454 69 Q HN -0.393 7.941 8.270 0.107 0.000 0.452 70 Y N 1.426 121.923 120.300 0.330 0.000 2.436 70 Y HA -0.136 nan 4.550 nan 0.000 0.336 70 Y C -1.338 174.743 175.900 0.302 0.000 1.049 70 Y CA 0.499 58.811 58.100 0.353 0.000 1.294 70 Y CB 0.337 39.099 38.460 0.504 0.000 1.179 70 Y HN -0.149 8.503 8.280 0.619 0.000 0.520 71 V N 8.864 128.643 119.914 -0.226 0.000 2.465 71 V HA -0.040 nan 4.120 nan 0.000 0.279 71 V C -0.912 175.009 176.094 -0.289 0.000 1.045 71 V CA -1.304 60.921 62.300 -0.125 0.000 0.938 71 V CB 0.644 32.420 31.823 -0.078 0.000 0.986 71 V HN 0.205 8.216 8.190 -0.298 0.000 0.467 72 D N 5.977 126.435 120.400 0.097 0.000 2.336 72 D HA -0.030 nan 4.640 nan 0.000 0.249 72 D C -0.259 176.149 176.300 0.179 0.000 1.213 72 D CA 0.519 54.678 54.000 0.266 0.000 0.870 72 D CB 0.696 41.783 40.800 0.479 0.000 1.076 72 D HN -0.108 8.617 8.370 0.202 -0.234 0.483 73 E N 5.363 125.617 120.200 0.090 0.000 2.481 73 E HA 0.092 nan 4.350 nan 0.000 0.198 73 E C 0.340 176.955 176.600 0.026 0.000 1.027 73 E CA 0.271 56.703 56.400 0.054 0.000 0.900 73 E CB 0.496 30.187 29.700 -0.014 0.000 0.993 73 E HN 0.432 8.820 8.360 0.046 0.000 0.482 74 Q N -0.050 119.760 119.800 0.017 0.000 2.096 74 Q HA -0.270 nan 4.340 nan 0.000 0.208 74 Q C 0.283 175.956 176.000 -0.544 0.000 0.993 74 Q CA 2.763 58.359 55.803 -0.344 0.000 0.862 74 Q CB 0.416 28.809 28.738 -0.576 0.000 0.915 74 Q HN -0.368 8.142 8.270 0.154 -0.149 0.416 75 F N -2.219 117.810 119.950 0.132 0.000 2.371 75 F HA 0.385 nan 4.527 nan 0.000 0.343 75 F C -2.702 173.192 175.800 0.158 0.000 1.150 75 F CA -3.420 54.650 58.000 0.115 0.000 1.220 75 F CB -0.124 38.980 39.000 0.173 0.000 1.475 75 F HN -0.804 7.736 8.300 0.401 0.000 0.521 76 P HA -0.189 nan 4.420 nan 0.000 0.265 76 P C -0.035 177.349 177.300 0.140 0.000 1.193 76 P CA 0.836 64.012 63.100 0.128 0.000 0.765 76 P CB -0.363 31.369 31.700 0.053 0.000 0.823 77 G N 2.347 111.212 108.800 0.109 0.000 2.328 77 G HA2 -0.475 nan 3.960 nan 0.000 0.256 77 G HA3 -0.475 nan 3.960 nan 0.000 0.256 77 G C -0.707 174.261 174.900 0.113 0.000 1.014 77 G CA 0.036 45.183 45.100 0.079 0.000 0.620 77 G HN -0.027 8.660 8.290 0.093 -0.342 0.530 78 F N 4.409 124.357 119.950 -0.004 0.000 2.506 78 F HA 0.038 nan 4.527 nan 0.000 0.371 78 F C 0.260 176.007 175.800 -0.088 0.000 1.078 78 F CA -2.431 55.521 58.000 -0.079 0.000 1.195 78 F CB 0.918 39.870 39.000 -0.080 0.000 1.099 78 F HN -0.629 7.644 8.300 0.329 0.224 0.548 79 S N 9.456 124.784 115.700 -0.620 0.000 2.343 79 S HA -0.338 nan 4.470 nan 0.000 0.219 79 S C 2.366 176.491 174.600 -0.792 0.000 1.033 79 S CA 3.821 61.675 58.200 -0.576 0.000 1.014 79 S CB -0.507 62.417 63.200 -0.460 0.000 0.915 79 S HN 0.434 8.479 8.310 -0.441 0.000 0.435 80 G N 0.585 108.428 108.800 -1.596 0.000 2.606 80 G HA2 -0.275 nan 3.960 nan 0.000 0.221 80 G HA3 -0.275 nan 3.960 nan 0.000 0.221 80 G C 2.198 177.173 174.900 0.125 0.000 1.152 80 G CA 2.536 46.999 45.100 -1.062 0.000 0.765 80 G HN 0.423 7.438 8.290 -2.125 0.000 0.595 81 S N 0.700 116.393 115.700 -0.011 0.000 2.425 81 S HA -0.109 nan 4.470 nan 0.000 0.225 81 S C 1.881 176.739 174.600 0.430 0.000 1.024 81 S CA 2.887 61.495 58.200 0.679 0.000 0.951 81 S CB -0.242 63.494 63.200 0.893 0.000 0.796 81 S HN -0.669 7.169 8.310 -0.779 0.004 0.498 82 E N 2.124 122.394 120.200 0.116 0.000 2.385 82 E HA -0.025 nan 4.350 nan 0.000 0.194 82 E C 2.511 179.036 176.600 -0.125 0.000 1.013 82 E CA 1.786 58.209 56.400 0.038 0.000 0.866 82 E CB 0.166 29.868 29.700 0.003 0.000 0.832 82 E HN -0.227 8.016 8.360 -0.044 0.091 0.500 83 M N -1.147 118.258 119.600 -0.324 0.000 2.267 83 M HA -0.263 nan 4.480 nan 0.000 0.263 83 M C 1.003 176.893 176.300 -0.683 0.000 1.063 83 M CA 3.679 58.622 55.300 -0.595 0.000 1.090 83 M CB -0.290 31.800 32.600 -0.850 0.000 1.392 83 M HN 0.029 8.141 8.290 -0.296 0.000 0.422 84 W N -4.508 116.739 121.300 -0.090 0.000 3.256 84 W HA -0.068 nan 4.660 nan 0.000 0.269 84 W C -0.966 175.500 176.519 -0.088 0.000 1.310 84 W CA -1.036 56.235 57.345 -0.123 0.000 1.673 84 W CB -0.421 29.015 29.460 -0.041 0.000 1.115 84 W HN -0.883 7.110 8.180 -0.265 0.028 0.686 85 N N -0.610 118.125 118.700 0.059 0.000 2.487 85 N HA 0.218 nan 4.740 nan 0.000 0.292 85 N C -1.900 173.589 175.510 -0.035 0.000 1.108 85 N CA -2.747 50.334 53.050 0.050 0.000 0.956 85 N CB 0.424 38.953 38.487 0.071 0.000 1.176 85 N HN -0.438 7.730 8.380 -0.031 0.193 0.484 86 P HA -0.045 nan 4.420 nan 0.000 0.253 86 P C -1.249 176.007 177.300 -0.072 0.000 1.159 86 P CA 0.979 64.044 63.100 -0.059 0.000 0.779 86 P CB -0.234 31.449 31.700 -0.029 0.000 0.745 87 N N 1.695 120.329 118.700 -0.110 0.000 2.314 87 N HA -0.109 nan 4.740 nan 0.000 0.200 87 N C -0.555 174.905 175.510 -0.084 0.000 1.135 87 N CA 0.408 53.395 53.050 -0.106 0.000 0.835 87 N CB 0.549 38.949 38.487 -0.145 0.000 0.989 87 N HN 0.453 8.750 8.380 -0.138 0.000 0.478 88 R N -2.093 118.363 120.500 -0.072 0.000 2.947 88 R HA 0.128 nan 4.340 nan 0.000 0.253 88 R C -2.101 174.173 176.300 -0.043 0.000 1.208 88 R CA -1.161 54.907 56.100 -0.052 0.000 1.012 88 R CB 2.593 32.861 30.300 -0.053 0.000 1.267 88 R HN -0.990 7.155 8.270 -0.071 0.082 0.473 89 E N 1.241 121.417 120.200 -0.040 0.000 2.265 89 E HA 0.042 nan 4.350 nan 0.000 0.272 89 E C -0.230 176.345 176.600 -0.042 0.000 1.067 89 E CA -0.324 56.054 56.400 -0.038 0.000 0.900 89 E CB -0.221 29.456 29.700 -0.039 0.000 1.017 89 E HN 0.297 8.633 8.360 -0.040 0.000 0.431 90 M N 6.271 125.849 119.600 -0.037 0.000 2.245 90 M HA 0.152 nan 4.480 nan 0.000 0.344 90 M C -0.127 176.137 176.300 -0.060 0.000 1.170 90 M CA 1.211 56.484 55.300 -0.044 0.000 1.135 90 M CB 1.040 33.621 32.600 -0.031 0.000 1.574 90 M HN 0.326 8.598 8.290 -0.030 0.000 0.452 91 S N 1.327 116.979 115.700 -0.080 0.000 2.558 91 S HA 0.141 nan 4.470 nan 0.000 0.277 91 S C -0.779 173.746 174.600 -0.126 0.000 1.143 91 S CA -0.955 57.190 58.200 -0.092 0.000 0.865 91 S CB 1.768 64.934 63.200 -0.057 0.000 1.102 91 S HN 0.608 8.870 8.310 -0.079 0.000 0.454 92 E N 2.594 122.695 120.200 -0.165 0.000 2.204 92 E HA -0.256 nan 4.350 nan 0.000 0.195 92 E C 0.228 176.779 176.600 -0.082 0.000 0.990 92 E CA 2.098 58.382 56.400 -0.193 0.000 0.821 92 E CB 0.172 29.748 29.700 -0.206 0.000 0.750 92 E HN 0.399 8.667 8.360 -0.153 0.000 0.477 93 D N -0.772 119.612 120.400 -0.027 0.000 2.508 93 D HA 0.022 nan 4.640 nan 0.000 0.224 93 D C -0.368 176.016 176.300 0.139 0.000 1.171 93 D CA -0.837 53.198 54.000 0.058 0.000 1.006 93 D CB -1.447 39.405 40.800 0.086 0.000 1.073 93 D HN -0.497 7.831 8.370 -0.041 0.018 0.513 94 c N -0.227 118.443 118.600 0.117 0.000 3.642 94 c HA 0.310 nan 4.570 nan 0.000 0.305 94 c C -0.167 174.052 174.090 0.214 0.000 1.492 94 c CA -1.838 54.597 56.329 0.178 0.000 1.809 94 c CB 0.659 43.211 42.510 0.071 0.000 2.639 94 c HN 0.040 8.254 8.230 0.037 0.038 0.672 95 L N 3.062 124.262 121.223 -0.038 0.000 2.448 95 L HA 0.087 nan 4.340 nan 0.000 0.278 95 L C -1.706 174.592 176.870 -0.953 0.000 1.201 95 L CA 0.439 54.995 54.840 -0.474 0.000 1.036 95 L CB -1.826 39.856 42.059 -0.629 0.000 1.325 95 L HN -0.131 8.065 8.230 -0.056 0.000 0.441 96 Y N 1.214 121.290 120.300 -0.373 0.000 2.634 96 Y HA 0.637 nan 4.550 nan 0.000 0.340 96 Y C -2.262 173.703 175.900 0.108 0.000 1.058 96 Y CA -1.563 56.407 58.100 -0.215 0.000 1.081 96 Y CB 4.171 42.582 38.460 -0.082 0.000 1.295 96 Y HN -0.362 7.948 8.280 0.085 0.021 0.487 97 L N -2.011 119.348 121.223 0.227 0.000 2.371 97 L HA 0.588 nan 4.340 nan 0.000 0.262 97 L C -2.643 174.275 176.870 0.080 0.000 1.006 97 L CA -1.370 53.584 54.840 0.190 0.000 0.818 97 L CB 3.922 46.014 42.059 0.054 0.000 1.354 97 L HN 0.611 8.884 8.230 0.119 0.028 0.415 98 N N 1.700 120.449 118.700 0.082 0.000 2.238 98 N HA 0.800 nan 4.740 nan 0.000 0.302 98 N C -1.802 173.623 175.510 -0.142 0.000 1.072 98 N CA -0.542 52.458 53.050 -0.084 0.000 0.792 98 N CB 4.225 42.640 38.487 -0.120 0.000 1.425 98 N HN 0.494 8.968 8.380 0.156 0.000 0.478 99 I N 0.397 120.799 120.570 -0.280 0.000 2.534 99 I HA 0.563 nan 4.170 nan 0.000 0.288 99 I C -1.922 174.119 176.117 -0.126 0.000 1.077 99 I CA -0.644 60.596 61.300 -0.100 0.000 1.051 99 I CB 3.861 41.770 38.000 -0.152 0.000 1.234 99 I HN 0.957 8.974 8.210 -0.320 0.000 0.425 100 W N 5.301 126.740 121.300 0.233 0.000 2.361 100 W HA 0.472 nan 4.660 nan 0.000 0.314 100 W C -1.473 175.186 176.519 0.233 0.000 1.041 100 W CA -1.145 56.329 57.345 0.216 0.000 1.241 100 W CB 2.141 31.695 29.460 0.157 0.000 1.279 100 W HN 0.785 9.282 8.180 0.529 0.000 0.436 101 V N 4.426 124.606 119.914 0.444 0.000 2.513 101 V HA 0.397 nan 4.120 nan 0.000 0.299 101 V C -2.317 173.963 176.094 0.311 0.000 1.035 101 V CA -3.374 59.155 62.300 0.383 0.000 0.889 101 V CB 1.441 33.551 31.823 0.478 0.000 0.988 101 V HN 0.886 9.333 8.190 0.429 0.000 0.440 102 P HA 0.118 nan 4.420 nan 0.000 0.272 102 P C -1.754 175.659 177.300 0.188 0.000 1.254 102 P CA -0.025 63.191 63.100 0.193 0.000 0.795 102 P CB 0.867 32.643 31.700 0.126 0.000 1.022 103 S N -1.148 114.651 115.700 0.166 0.000 2.672 103 S HA 0.289 nan 4.470 nan 0.000 0.291 103 S C -1.571 173.097 174.600 0.115 0.000 1.145 103 S CA -3.656 54.632 58.200 0.147 0.000 1.013 103 S CB 1.483 64.777 63.200 0.157 0.000 1.017 103 S HN 0.154 8.563 8.310 0.164 0.000 0.487 104 P HA 0.181 nan 4.420 nan 0.000 0.274 104 P C -1.480 175.884 177.300 0.106 0.000 1.231 104 P CA -0.484 62.672 63.100 0.094 0.000 0.790 104 P CB 0.742 32.484 31.700 0.070 0.000 0.951 105 R N 2.078 122.651 120.500 0.123 0.000 2.585 105 R HA -0.018 nan 4.340 nan 0.000 0.275 105 R C -1.590 174.768 176.300 0.098 0.000 1.018 105 R CA -0.391 55.791 56.100 0.137 0.000 1.072 105 R CB -0.173 30.217 30.300 0.149 0.000 0.953 105 R HN 0.043 8.529 8.270 0.123 -0.142 0.419 106 P HA 0.164 nan 4.420 nan 0.000 0.277 106 P C -1.542 175.789 177.300 0.052 0.000 1.276 106 P CA -0.646 62.492 63.100 0.065 0.000 0.788 106 P CB 1.035 32.773 31.700 0.062 0.000 1.114 107 K N -1.219 119.201 120.400 0.034 0.000 2.017 107 K HA 0.056 nan 4.320 nan 0.000 0.207 107 K C -0.499 176.110 176.600 0.015 0.000 1.035 107 K CA 1.832 58.132 56.287 0.022 0.000 0.947 107 K CB 0.686 33.193 32.500 0.011 0.000 0.749 107 K HN 0.154 8.421 8.250 0.029 0.000 0.443 108 S N -3.272 112.432 115.700 0.008 0.000 2.626 108 S HA 0.113 nan 4.470 nan 0.000 0.275 108 S C -1.953 172.647 174.600 0.001 0.000 1.175 108 S CA -0.210 57.988 58.200 -0.003 0.000 0.982 108 S CB 1.939 65.124 63.200 -0.024 0.000 1.093 108 S HN -0.681 7.634 8.310 0.008 0.000 0.472 109 T N 3.654 118.214 114.554 0.010 0.000 2.841 109 T HA 0.353 nan 4.350 nan 0.000 0.296 109 T C -1.138 173.566 174.700 0.006 0.000 1.166 109 T CA -1.380 60.725 62.100 0.007 0.000 1.007 109 T CB 2.686 71.566 68.868 0.020 0.000 1.253 109 T HN 0.376 8.662 8.240 0.019 -0.035 0.511 110 T N 5.591 120.141 114.554 -0.006 0.000 2.908 110 T HA 0.050 nan 4.350 nan 0.000 0.301 110 T C -0.643 174.063 174.700 0.011 0.000 1.019 110 T CA 1.727 63.820 62.100 -0.012 0.000 1.152 110 T CB -0.181 68.665 68.868 -0.036 0.000 0.966 110 T HN 0.429 8.661 8.240 -0.013 0.000 0.540 111 V N 6.968 126.894 119.914 0.020 0.000 2.547 111 V HA 0.761 nan 4.120 nan 0.000 0.299 111 V C -1.442 174.676 176.094 0.041 0.000 1.040 111 V CA -0.870 61.460 62.300 0.051 0.000 0.913 111 V CB 2.098 33.959 31.823 0.063 0.000 0.992 111 V HN 0.668 8.864 8.190 0.011 0.000 0.449 112 M N 5.307 124.947 119.600 0.066 0.000 2.151 112 M HA 0.533 nan 4.480 nan 0.000 0.290 112 M C -1.843 174.622 176.300 0.273 0.000 0.965 112 M CA -0.573 54.747 55.300 0.034 0.000 0.930 112 M CB 3.623 36.091 32.600 -0.220 0.000 1.560 112 M HN 0.680 9.035 8.290 0.108 0.000 0.438 113 V N 3.394 123.505 119.914 0.328 0.000 2.383 113 V HA 0.566 nan 4.120 nan 0.000 0.275 113 V C -1.540 174.897 176.094 0.572 0.000 1.036 113 V CA -1.097 61.427 62.300 0.374 0.000 0.889 113 V CB 0.310 32.240 31.823 0.178 0.000 0.985 113 V HN 0.896 9.237 8.190 0.253 0.000 0.459 114 W N 8.377 129.923 121.300 0.409 0.000 2.335 114 W HA 0.581 nan 4.660 nan 0.000 0.307 114 W C -2.338 174.161 176.519 -0.034 0.000 1.117 114 W CA -1.237 56.172 57.345 0.106 0.000 1.228 114 W CB 1.963 31.476 29.460 0.089 0.000 1.240 114 W HN 1.022 9.467 8.180 0.633 0.115 0.468 115 I N 9.151 129.070 120.570 -1.084 0.000 2.354 115 I HA 0.216 nan 4.170 nan 0.000 0.286 115 I C -1.443 173.957 176.117 -1.195 0.000 1.007 115 I CA -1.530 59.263 61.300 -0.846 0.000 1.167 115 I CB 0.941 38.659 38.000 -0.471 0.000 1.320 115 I HN 0.498 7.970 8.210 -1.229 0.000 0.458 116 Y N 4.057 123.969 120.300 -0.647 0.000 2.357 116 Y HA 0.166 nan 4.550 nan 0.000 0.340 116 Y C -1.193 174.601 175.900 -0.176 0.000 1.260 116 Y CA -2.235 55.646 58.100 -0.364 0.000 1.425 116 Y CB 0.423 38.879 38.460 -0.006 0.000 1.326 116 Y HN 0.214 7.958 8.280 -0.892 0.000 0.580 117 G N -1.132 107.774 108.800 0.178 0.000 2.671 117 G HA2 0.177 nan 3.960 nan 0.000 0.275 117 G HA3 0.177 nan 3.960 nan 0.000 0.275 117 G C -1.264 173.557 174.900 -0.132 0.000 1.368 117 G CA -2.145 42.934 45.100 -0.036 0.000 1.044 117 G HN -0.352 8.088 8.290 0.250 0.000 0.543 118 G N -5.081 103.481 108.800 -0.396 0.000 2.507 118 G HA2 -0.161 nan 3.960 nan 0.000 0.225 118 G HA3 -0.161 nan 3.960 nan 0.000 0.225 118 G C 0.162 174.445 174.900 -1.030 0.000 1.078 118 G CA -0.264 44.459 45.100 -0.628 0.000 0.939 118 G HN 0.146 8.175 8.290 -0.434 0.000 0.538 119 G N -0.838 107.368 108.800 -0.989 0.000 2.212 119 G HA2 -0.350 nan 3.960 nan 0.000 0.267 119 G HA3 -0.350 nan 3.960 nan 0.000 0.267 119 G C -0.469 174.009 174.900 -0.703 0.000 1.002 119 G CA 1.111 45.386 45.100 -1.375 0.000 0.729 119 G HN -0.046 7.762 8.290 -0.802 0.000 0.517 120 F N -7.563 112.134 119.950 -0.422 0.000 2.825 120 F HA -0.460 nan 4.527 nan 0.000 0.358 120 F C -0.275 175.436 175.800 -0.148 0.000 0.639 120 F CA 1.519 59.360 58.000 -0.265 0.000 1.153 120 F CB -2.319 36.393 39.000 -0.480 0.000 1.610 120 F HN -0.044 7.770 8.300 -0.723 0.052 0.305 121 Y N -5.648 114.642 120.300 -0.017 0.000 2.458 121 Y HA 0.284 nan 4.550 nan 0.000 0.254 121 Y C -1.536 174.449 175.900 0.141 0.000 1.120 121 Y CA -1.427 56.717 58.100 0.072 0.000 1.282 121 Y CB 1.214 39.670 38.460 -0.007 0.000 1.109 121 Y HN -0.227 7.572 8.280 -0.629 0.103 0.526 122 S N -2.012 113.449 115.700 -0.400 0.000 2.705 122 S HA 0.512 nan 4.470 nan 0.000 0.280 122 S C -1.022 173.403 174.600 -0.292 0.000 1.174 122 S CA -1.324 56.751 58.200 -0.208 0.000 0.823 122 S CB 3.671 66.757 63.200 -0.191 0.000 1.162 122 S HN -0.500 7.425 8.310 -0.642 0.000 0.487 123 G N -1.795 106.799 108.800 -0.344 0.000 2.312 123 G HA2 -0.081 nan 3.960 nan 0.000 0.347 123 G HA3 -0.081 nan 3.960 nan 0.000 0.347 123 G C -2.935 171.374 174.900 -0.986 0.000 1.564 123 G CA 0.218 44.840 45.100 -0.797 0.000 0.981 123 G HN 0.353 8.873 8.290 -0.219 -0.362 0.678 124 S N 0.146 115.182 115.700 -1.108 0.000 2.533 124 S HA 0.469 nan 4.470 nan 0.000 0.271 124 S C 0.374 174.958 174.600 -0.027 0.000 1.143 124 S CA -1.009 56.906 58.200 -0.475 0.000 0.891 124 S CB 3.683 66.754 63.200 -0.216 0.000 1.105 124 S HN 0.106 7.810 8.310 -1.011 0.000 0.468 125 S N 2.175 118.060 115.700 0.308 0.000 2.470 125 S HA 0.075 nan 4.470 nan 0.000 0.222 125 S C 0.951 175.765 174.600 0.355 0.000 1.024 125 S CA 2.228 60.754 58.200 0.543 0.000 0.931 125 S CB 0.745 64.265 63.200 0.532 0.000 0.791 125 S HN 0.710 9.166 8.310 0.243 0.000 0.513 126 T N -3.057 111.529 114.554 0.052 0.000 3.284 126 T HA 0.098 nan 4.350 nan 0.000 0.252 126 T C -0.396 173.999 174.700 -0.508 0.000 1.144 126 T CA -0.076 61.752 62.100 -0.453 0.000 1.021 126 T CB -0.685 67.869 68.868 -0.522 0.000 0.984 126 T HN 0.062 8.331 8.240 0.049 0.000 0.545 127 L N -4.174 116.908 121.223 -0.235 0.000 2.282 127 L HA 0.401 nan 4.340 nan 0.000 0.288 127 L C 0.614 177.259 176.870 -0.376 0.000 1.033 127 L CA -1.210 53.416 54.840 -0.358 0.000 0.807 127 L CB 0.968 42.766 42.059 -0.436 0.000 1.209 127 L HN -1.022 7.117 8.230 -0.018 0.080 0.423 128 D N 4.567 124.786 120.400 -0.300 0.000 4.399 128 D HA -0.509 nan 4.640 nan 0.000 0.192 128 D C 2.164 178.296 176.300 -0.280 0.000 1.389 128 D CA 3.306 57.169 54.000 -0.229 0.000 0.883 128 D CB -0.656 40.007 40.800 -0.230 0.000 0.872 128 D HN 0.515 8.716 8.370 -0.282 0.000 0.589 129 V N -6.486 113.124 119.914 -0.506 0.000 3.573 129 V HA -0.047 nan 4.120 nan 0.000 0.270 129 V C 0.381 176.160 176.094 -0.526 0.000 1.221 129 V CA 0.409 62.399 62.300 -0.517 0.000 1.163 129 V CB -1.608 29.803 31.823 -0.686 0.000 0.847 129 V HN -0.121 7.638 8.190 -0.660 0.035 0.468 130 Y N -4.206 115.739 120.300 -0.591 0.000 2.636 130 Y HA 0.163 nan 4.550 nan 0.000 0.260 130 Y C -0.839 174.838 175.900 -0.371 0.000 1.177 130 Y CA -3.398 54.174 58.100 -0.880 0.000 1.209 130 Y CB -0.858 37.303 38.460 -0.498 0.000 1.166 130 Y HN 0.001 7.887 8.280 -0.325 0.199 0.531 131 N N 2.726 121.399 118.700 -0.044 0.000 2.416 131 N HA -0.104 nan 4.740 nan 0.000 0.271 131 N C 1.202 176.501 175.510 -0.352 0.000 1.245 131 N CA 0.995 53.956 53.050 -0.148 0.000 0.940 131 N CB 0.485 38.986 38.487 0.023 0.000 1.175 131 N HN -1.003 7.266 8.380 -0.068 0.070 0.483 132 G N 3.707 111.759 108.800 -1.247 0.000 2.509 132 G HA2 -0.268 nan 3.960 nan 0.000 0.218 132 G HA3 -0.268 nan 3.960 nan 0.000 0.218 132 G C 0.275 174.704 174.900 -0.786 0.000 1.124 132 G CA 1.428 45.977 45.100 -0.919 0.000 0.776 132 G HN 0.349 7.298 8.290 -2.235 0.000 0.547 133 K N 2.280 122.011 120.400 -1.116 0.000 2.044 133 K HA -0.430 nan 4.320 nan 0.000 0.210 133 K C 1.705 178.131 176.600 -0.289 0.000 1.049 133 K CA 3.165 59.120 56.287 -0.553 0.000 0.927 133 K CB -0.546 31.663 32.500 -0.486 0.000 0.713 133 K HN -0.665 6.766 8.250 -1.551 -0.112 0.443 134 Y N -2.618 117.602 120.300 -0.132 0.000 2.181 134 Y HA -0.335 nan 4.550 nan 0.000 0.288 134 Y C 2.548 178.451 175.900 0.006 0.000 1.146 134 Y CA 3.273 61.352 58.100 -0.036 0.000 1.164 134 Y CB -0.738 37.674 38.460 -0.079 0.000 0.982 134 Y HN -0.677 7.404 8.280 -0.332 0.000 0.515 135 L N -0.735 120.512 121.223 0.040 0.000 2.056 135 L HA -0.365 nan 4.340 nan 0.000 0.207 135 L C 1.615 178.484 176.870 -0.002 0.000 1.078 135 L CA 2.224 57.035 54.840 -0.048 0.000 0.749 135 L CB -0.794 41.115 42.059 -0.249 0.000 0.901 135 L HN -0.359 7.867 8.230 -0.008 0.000 0.433 136 A N -0.686 122.144 122.820 0.017 0.000 1.835 136 A HA -0.340 nan 4.320 nan 0.000 0.215 136 A C 2.075 179.715 177.584 0.094 0.000 1.199 136 A CA 3.095 55.185 52.037 0.089 0.000 0.615 136 A CB -1.092 18.019 19.000 0.184 0.000 0.838 136 A HN 0.127 8.254 8.150 -0.038 0.000 0.444 137 Y N -0.938 119.377 120.300 0.025 0.000 2.128 137 Y HA -0.441 nan 4.550 nan 0.000 0.284 137 Y C 2.880 178.803 175.900 0.038 0.000 1.154 137 Y CA 3.517 61.637 58.100 0.034 0.000 1.149 137 Y CB -0.071 38.392 38.460 0.006 0.000 0.976 137 Y HN -0.075 8.341 8.280 0.227 0.000 0.505 138 T N 1.394 115.942 114.554 -0.010 0.000 2.746 138 T HA -0.252 nan 4.350 nan 0.000 0.267 138 T C 1.300 175.935 174.700 -0.108 0.000 1.039 138 T CA 3.340 65.391 62.100 -0.082 0.000 1.142 138 T CB -0.245 68.700 68.868 0.129 0.000 0.866 138 T HN 0.092 8.387 8.240 0.272 0.108 0.444 139 E N -1.664 118.506 120.200 -0.049 0.000 2.501 139 E HA 0.274 nan 4.350 nan 0.000 0.200 139 E C -1.186 175.390 176.600 -0.040 0.000 1.016 139 E CA -1.410 54.976 56.400 -0.025 0.000 0.921 139 E CB 0.278 29.976 29.700 -0.003 0.000 1.034 139 E HN -0.428 7.917 8.360 -0.024 0.000 0.468 140 E N -2.109 118.052 120.200 -0.065 0.000 2.513 140 E HA -0.450 nan 4.350 nan 0.000 0.156 140 E C -2.301 174.300 176.600 0.002 0.000 1.740 140 E CA 1.246 57.626 56.400 -0.033 0.000 0.646 140 E CB -2.019 27.658 29.700 -0.038 0.000 1.080 140 E HN -0.311 7.917 8.360 -0.115 0.064 0.345 141 V N -1.741 118.192 119.914 0.031 0.000 3.087 141 V HA 0.470 nan 4.120 nan 0.000 0.306 141 V C -1.441 174.714 176.094 0.102 0.000 1.187 141 V CA -1.307 61.019 62.300 0.043 0.000 0.999 141 V CB 4.388 36.215 31.823 0.008 0.000 1.049 141 V HN -0.604 7.613 8.190 0.045 0.000 0.431 142 V N 5.298 125.280 119.914 0.112 0.000 2.368 142 V HA 0.352 nan 4.120 nan 0.000 0.266 142 V C -1.426 174.787 176.094 0.199 0.000 1.045 142 V CA -0.533 61.870 62.300 0.172 0.000 0.899 142 V CB -0.081 31.831 31.823 0.149 0.000 1.006 142 V HN 0.377 8.615 8.190 0.080 0.000 0.470 143 L N 9.475 130.880 121.223 0.304 0.000 2.295 143 L HA 0.934 nan 4.340 nan 0.000 0.285 143 L C -2.388 174.795 176.870 0.521 0.000 1.035 143 L CA -1.056 54.019 54.840 0.391 0.000 0.806 143 L CB 1.914 44.200 42.059 0.377 0.000 1.214 143 L HN -0.027 8.418 8.230 0.358 0.000 0.426 144 V N 6.378 126.573 119.914 0.469 0.000 2.735 144 V HA 0.778 nan 4.120 nan 0.000 0.310 144 V C -2.313 174.086 176.094 0.508 0.000 1.061 144 V CA -2.090 60.453 62.300 0.405 0.000 0.913 144 V CB 4.212 36.164 31.823 0.215 0.000 1.005 144 V HN 1.059 9.523 8.190 0.457 0.000 0.428 145 S N 5.996 121.996 115.700 0.501 0.000 2.532 145 S HA 0.955 nan 4.470 nan 0.000 0.299 145 S C -1.653 173.151 174.600 0.339 0.000 1.105 145 S CA -0.978 57.532 58.200 0.518 0.000 1.018 145 S CB 2.291 65.908 63.200 0.695 0.000 1.021 145 S HN 0.427 8.987 8.310 0.417 0.000 0.483 146 L N 0.273 121.636 121.223 0.234 0.000 2.260 146 L HA 1.012 nan 4.340 nan 0.000 0.265 146 L C -1.206 175.813 176.870 0.250 0.000 1.015 146 L CA -1.826 53.145 54.840 0.218 0.000 0.826 146 L CB 1.656 43.742 42.059 0.044 0.000 1.373 146 L HN -0.205 8.132 8.230 0.177 0.000 0.450 147 S N -1.840 114.090 115.700 0.384 0.000 2.569 147 S HA 0.530 nan 4.470 nan 0.000 0.280 147 S C -1.537 173.316 174.600 0.421 0.000 1.111 147 S CA -0.816 57.586 58.200 0.336 0.000 0.887 147 S CB 3.251 66.667 63.200 0.360 0.000 1.095 147 S HN -0.148 8.511 8.310 0.581 0.000 0.476 148 Y N -2.392 118.058 120.300 0.250 0.000 2.544 148 Y HA 0.216 nan 4.550 nan 0.000 0.342 148 Y C -1.709 174.374 175.900 0.305 0.000 1.062 148 Y CA -2.100 56.146 58.100 0.243 0.000 1.023 148 Y CB 1.965 40.535 38.460 0.185 0.000 1.308 148 Y HN 0.328 8.616 8.280 0.014 0.000 0.457 149 R N 3.237 123.983 120.500 0.409 0.000 2.404 149 R HA -0.047 nan 4.340 nan 0.000 0.315 149 R C -0.015 176.632 176.300 0.578 0.000 1.032 149 R CA 0.558 56.873 56.100 0.358 0.000 0.992 149 R CB -0.545 29.908 30.300 0.255 0.000 0.959 149 R HN -0.203 8.477 8.270 0.374 -0.186 0.428 150 V N -2.615 117.609 119.914 0.517 0.000 2.973 150 V HA 0.585 nan 4.120 nan 0.000 0.314 150 V C 0.331 176.783 176.094 0.597 0.000 1.066 150 V CA -1.937 60.719 62.300 0.595 0.000 1.021 150 V CB 1.128 33.145 31.823 0.324 0.000 1.076 150 V HN -0.216 8.194 8.190 0.367 0.000 0.462 151 G N 1.080 110.204 108.800 0.540 0.000 2.645 151 G HA2 -0.417 nan 3.960 nan 0.000 0.246 151 G HA3 -0.417 nan 3.960 nan 0.000 0.246 151 G C -0.515 174.609 174.900 0.374 0.000 1.322 151 G CA 0.465 45.846 45.100 0.469 0.000 0.898 151 G HN 0.597 9.076 8.290 0.481 0.099 0.573 152 A N 1.094 123.939 122.820 0.041 0.000 1.948 152 A HA -0.342 nan 4.320 nan 0.000 0.220 152 A C 2.051 179.586 177.584 -0.083 0.000 1.177 152 A CA 3.006 54.716 52.037 -0.545 0.000 0.636 152 A CB -0.272 18.252 19.000 -0.793 0.000 0.815 152 A HN 0.567 8.805 8.150 0.147 0.000 0.449 153 F N -3.215 116.900 119.950 0.276 0.000 2.126 153 F HA -0.405 nan 4.527 nan 0.000 0.299 153 F C 1.487 177.405 175.800 0.196 0.000 1.096 153 F CA 3.166 61.286 58.000 0.200 0.000 1.255 153 F CB -0.663 38.389 39.000 0.086 0.000 0.997 153 F HN -0.232 7.866 8.300 -0.306 0.018 0.479 154 G N -5.282 103.757 108.800 0.397 0.000 2.719 154 G HA2 -0.014 nan 3.960 nan 0.000 0.211 154 G HA3 -0.014 nan 3.960 nan 0.000 0.211 154 G C -0.175 174.599 174.900 -0.209 0.000 1.140 154 G CA 0.638 45.822 45.100 0.140 0.000 0.790 154 G HN -0.499 8.004 8.290 0.508 0.092 0.529 155 F N -2.430 117.592 119.950 0.121 0.000 2.775 155 F HA 0.326 nan 4.527 nan 0.000 0.313 155 F C -1.171 174.595 175.800 -0.057 0.000 1.121 155 F CA -1.193 56.834 58.000 0.044 0.000 1.206 155 F CB 1.122 40.169 39.000 0.078 0.000 1.052 155 F HN -0.059 8.298 8.300 0.405 0.186 0.524 156 L N 1.159 122.310 121.223 -0.120 0.000 2.455 156 L HA -0.089 nan 4.340 nan 0.000 0.272 156 L C -1.214 175.554 176.870 -0.170 0.000 1.174 156 L CA -0.137 54.468 54.840 -0.392 0.000 0.869 156 L CB 0.881 42.453 42.059 -0.811 0.000 1.130 156 L HN -0.692 7.506 8.230 -0.053 0.000 0.474 157 A N 7.382 130.154 122.820 -0.080 0.000 2.842 157 A HA 0.276 nan 4.320 nan 0.000 0.339 157 A C -1.167 176.419 177.584 0.003 0.000 1.177 157 A CA -1.092 50.938 52.037 -0.011 0.000 0.797 157 A CB 0.522 19.551 19.000 0.049 0.000 1.094 157 A HN 0.367 8.484 8.150 -0.055 0.000 0.474 158 L N 5.220 126.425 121.223 -0.029 0.000 2.389 158 L HA 0.147 nan 4.340 nan 0.000 0.265 158 L C 0.085 176.986 176.870 0.051 0.000 1.167 158 L CA -1.334 53.504 54.840 -0.004 0.000 1.045 158 L CB -1.376 40.651 42.059 -0.054 0.000 1.351 158 L HN 0.249 8.439 8.230 -0.068 0.000 0.419 159 H N 7.053 126.115 119.070 -0.014 0.000 2.272 159 H HA -0.384 nan 4.556 nan 0.000 0.289 159 H C 1.248 176.577 175.328 0.001 0.000 1.100 159 H CA 3.954 60.002 56.048 -0.000 0.000 1.209 159 H CB -0.184 29.583 29.762 0.008 0.000 1.348 159 H HN -0.301 8.049 8.280 0.169 0.031 0.481 160 G N -1.990 106.760 108.800 -0.083 0.000 2.503 160 G HA2 -0.363 nan 3.960 nan 0.000 0.221 160 G HA3 -0.363 nan 3.960 nan 0.000 0.221 160 G C 0.247 175.066 174.900 -0.136 0.000 1.131 160 G CA 0.361 45.369 45.100 -0.153 0.000 0.756 160 G HN 0.228 8.550 8.290 0.052 0.000 0.572 161 S N -0.828 114.824 115.700 -0.079 0.000 2.603 161 S HA 0.016 nan 4.470 nan 0.000 0.268 161 S C -0.697 173.873 174.600 -0.049 0.000 1.317 161 S CA -0.355 57.814 58.200 -0.052 0.000 1.012 161 S CB 1.378 64.562 63.200 -0.027 0.000 0.926 161 S HN -0.565 7.684 8.310 -0.054 0.028 0.539 162 Q N 1.664 121.448 119.800 -0.026 0.000 2.350 162 Q HA 0.135 nan 4.340 nan 0.000 0.225 162 Q C 0.892 176.901 176.000 0.014 0.000 0.878 162 Q CA 1.074 56.870 55.803 -0.011 0.000 0.935 162 Q CB 0.363 29.095 28.738 -0.011 0.000 1.099 162 Q HN 0.500 8.757 8.270 -0.021 0.000 0.527 163 E N -1.055 119.157 120.200 0.020 0.000 2.285 163 E HA -0.082 nan 4.350 nan 0.000 0.194 163 E C -0.945 175.701 176.600 0.076 0.000 0.997 163 E CA 0.588 57.017 56.400 0.048 0.000 0.845 163 E CB 1.017 30.745 29.700 0.047 0.000 0.782 163 E HN -0.079 8.245 8.360 0.007 0.041 0.491 164 A N -2.349 120.494 122.820 0.038 0.000 3.399 164 A HA 0.408 nan 4.320 nan 0.000 0.262 164 A C -3.356 174.225 177.584 -0.006 0.000 1.145 164 A CA -1.905 50.147 52.037 0.025 0.000 0.916 164 A CB -0.105 18.854 19.000 -0.069 0.000 1.360 164 A HN -0.730 7.391 8.150 0.015 0.038 0.628 165 P HA 0.145 nan 4.420 nan 0.000 0.279 165 P C -0.042 177.280 177.300 0.035 0.000 1.276 165 P CA -0.642 62.484 63.100 0.044 0.000 0.801 165 P CB 1.243 32.972 31.700 0.048 0.000 1.127 166 G N -2.426 106.413 108.800 0.065 0.000 2.485 166 G HA2 -0.167 nan 3.960 nan 0.000 0.260 166 G HA3 -0.167 nan 3.960 nan 0.000 0.260 166 G C -0.191 174.669 174.900 -0.067 0.000 1.459 166 G CA -0.773 44.336 45.100 0.015 0.000 1.060 166 G HN 0.219 8.588 8.290 0.131 0.000 0.546 167 N N -4.273 114.339 118.700 -0.147 0.000 2.586 167 N HA -0.418 nan 4.740 nan 0.000 0.244 167 N C 1.444 176.692 175.510 -0.437 0.000 1.215 167 N CA 1.055 53.885 53.050 -0.366 0.000 0.796 167 N CB -1.615 36.633 38.487 -0.397 0.000 1.185 167 N HN 0.320 8.667 8.380 -0.054 0.000 0.577 168 V N -0.970 118.762 119.914 -0.303 0.000 2.439 168 V HA -0.357 nan 4.120 nan 0.000 0.253 168 V C 1.561 177.505 176.094 -0.250 0.000 1.074 168 V CA 3.534 65.721 62.300 -0.188 0.000 1.076 168 V CB -0.462 31.316 31.823 -0.075 0.000 0.664 168 V HN -0.476 7.474 8.190 -0.235 0.098 0.461 169 G N -2.607 105.844 108.800 -0.581 0.000 2.623 169 G HA2 -0.078 nan 3.960 nan 0.000 0.214 169 G HA3 -0.078 nan 3.960 nan 0.000 0.214 169 G C 0.887 175.599 174.900 -0.313 0.000 1.138 169 G CA 1.459 46.292 45.100 -0.446 0.000 0.794 169 G HN 0.083 7.791 8.290 -0.929 0.024 0.535 170 L N 1.877 122.816 121.223 -0.473 0.000 2.341 170 L HA 0.047 nan 4.340 nan 0.000 0.214 170 L C 1.082 177.929 176.870 -0.039 0.000 1.115 170 L CA 1.069 55.717 54.840 -0.321 0.000 0.820 170 L CB 0.070 41.693 42.059 -0.726 0.000 0.944 170 L HN 0.066 7.705 8.230 -0.707 0.166 0.452 171 L N -1.126 120.080 121.223 -0.027 0.000 2.156 171 L HA -0.399 nan 4.340 nan 0.000 0.208 171 L C 1.571 178.519 176.870 0.131 0.000 1.095 171 L CA 3.513 58.441 54.840 0.147 0.000 0.770 171 L CB -0.822 41.301 42.059 0.107 0.000 0.914 171 L HN 0.109 8.106 8.230 -0.170 0.131 0.439 172 D N -0.906 119.565 120.400 0.118 0.000 2.144 172 D HA -0.289 nan 4.640 nan 0.000 0.199 172 D C 2.634 179.039 176.300 0.175 0.000 0.984 172 D CA 3.650 57.791 54.000 0.235 0.000 0.834 172 D CB -0.629 40.345 40.800 0.289 0.000 0.955 172 D HN -0.445 7.869 8.370 0.053 0.088 0.465 173 Q N -0.768 119.085 119.800 0.089 0.000 2.050 173 Q HA -0.345 nan 4.340 nan 0.000 0.202 173 Q C 2.234 178.153 176.000 -0.134 0.000 0.980 173 Q CA 2.979 58.768 55.803 -0.023 0.000 0.840 173 Q CB -0.099 28.645 28.738 0.010 0.000 0.898 173 Q HN -0.663 7.652 8.270 0.076 0.000 0.424 174 R N -0.383 120.098 120.500 -0.033 0.000 2.083 174 R HA -0.330 nan 4.340 nan 0.000 0.237 174 R C 2.321 178.564 176.300 -0.096 0.000 1.137 174 R CA 3.167 59.208 56.100 -0.100 0.000 0.951 174 R CB -0.134 30.214 30.300 0.080 0.000 0.851 174 R HN -0.595 7.687 8.270 0.132 0.067 0.434 175 M N -1.685 117.898 119.600 -0.029 0.000 2.358 175 M HA -0.249 nan 4.480 nan 0.000 0.264 175 M C 0.936 177.107 176.300 -0.215 0.000 1.064 175 M CA 3.103 58.397 55.300 -0.010 0.000 1.093 175 M CB 0.033 32.720 32.600 0.146 0.000 1.401 175 M HN 0.331 8.537 8.290 0.037 0.106 0.440 176 A N -0.274 122.196 122.820 -0.584 0.000 1.975 176 A HA -0.114 nan 4.320 nan 0.000 0.215 176 A C 1.781 179.151 177.584 -0.356 0.000 1.170 176 A CA 2.604 54.017 52.037 -1.040 0.000 0.656 176 A CB -0.764 17.343 19.000 -1.488 0.000 0.821 176 A HN -0.379 7.365 8.150 -0.444 0.140 0.449 177 L N -0.681 120.399 121.223 -0.239 0.000 2.093 177 L HA -0.304 nan 4.340 nan 0.000 0.208 177 L C 2.030 178.898 176.870 -0.002 0.000 1.085 177 L CA 2.288 57.064 54.840 -0.107 0.000 0.755 177 L CB -0.856 41.102 42.059 -0.169 0.000 0.904 177 L HN -0.057 7.896 8.230 -0.285 0.107 0.435 178 Q N -0.178 119.614 119.800 -0.013 0.000 1.993 178 Q HA -0.353 nan 4.340 nan 0.000 0.202 178 Q C 1.984 178.070 176.000 0.142 0.000 0.984 178 Q CA 3.513 59.343 55.803 0.045 0.000 0.837 178 Q CB -0.465 28.295 28.738 0.036 0.000 0.902 178 Q HN 0.019 8.159 8.270 -0.068 0.089 0.423 179 W N -0.803 120.471 121.300 -0.044 0.000 2.325 179 W HA -0.423 nan 4.660 nan 0.000 0.299 179 W C 2.082 178.598 176.519 -0.005 0.000 1.215 179 W CA 4.019 61.361 57.345 -0.005 0.000 1.244 179 W CB 0.177 29.633 29.460 -0.005 0.000 1.140 179 W HN -0.494 7.821 8.180 0.225 0.000 0.523 180 V N -0.844 119.290 119.914 0.366 0.000 2.295 180 V HA -0.639 nan 4.120 nan 0.000 0.246 180 V C 1.786 177.920 176.094 0.066 0.000 1.049 180 V CA 5.155 67.603 62.300 0.246 0.000 1.024 180 V CB -1.151 30.770 31.823 0.162 0.000 0.648 180 V HN -0.192 8.163 8.190 0.285 0.006 0.447 181 H N 0.073 119.126 119.070 -0.028 0.000 2.321 181 H HA -0.363 nan 4.556 nan 0.000 0.300 181 H C 1.853 177.085 175.328 -0.159 0.000 1.087 181 H CA 4.250 60.252 56.048 -0.077 0.000 1.319 181 H CB 0.032 29.763 29.762 -0.052 0.000 1.379 181 H HN -0.019 8.308 8.280 0.203 0.075 0.501 182 D N -3.319 117.000 120.400 -0.135 0.000 2.269 182 D HA -0.049 nan 4.640 nan 0.000 0.208 182 D C 1.125 177.148 176.300 -0.462 0.000 0.963 182 D CA 2.590 56.422 54.000 -0.280 0.000 0.864 182 D CB 0.550 41.235 40.800 -0.191 0.000 0.936 182 D HN 0.208 8.469 8.370 -0.006 0.105 0.505 183 N N -1.894 116.467 118.700 -0.564 0.000 2.168 183 N HA 0.091 nan 4.740 nan 0.000 0.216 183 N C 1.383 176.712 175.510 -0.301 0.000 1.259 183 N CA 0.620 53.303 53.050 -0.611 0.000 0.902 183 N CB 2.220 40.050 38.487 -1.095 0.000 1.079 183 N HN -0.162 7.802 8.380 -0.471 0.134 0.507 184 I N 1.922 122.377 120.570 -0.190 0.000 2.700 184 I HA -0.467 nan 4.170 nan 0.000 0.261 184 I C 0.357 176.474 176.117 -0.001 0.000 1.219 184 I CA 1.997 63.309 61.300 0.020 0.000 1.463 184 I CB -0.209 37.787 38.000 -0.006 0.000 1.092 184 I HN 0.313 8.285 8.210 -0.234 0.097 0.452 185 Q N 0.662 120.284 119.800 -0.297 0.000 2.079 185 Q HA -0.286 nan 4.340 nan 0.000 0.200 185 Q C 2.478 178.358 176.000 -0.201 0.000 0.974 185 Q CA 3.141 58.753 55.803 -0.319 0.000 0.840 185 Q CB -1.095 27.329 28.738 -0.524 0.000 0.898 185 Q HN 0.247 8.200 8.270 -0.462 0.040 0.430 186 F N -1.997 117.917 119.950 -0.061 0.000 2.583 186 F HA -0.192 nan 4.527 nan 0.000 0.297 186 F C 0.156 175.745 175.800 -0.351 0.000 1.131 186 F CA 0.707 58.577 58.000 -0.217 0.000 1.467 186 F CB -0.747 38.060 39.000 -0.321 0.000 1.097 186 F HN -0.503 7.316 8.300 -0.803 0.000 0.586 187 F N -5.418 114.539 119.950 0.012 0.000 2.720 187 F HA 0.078 nan 4.527 nan 0.000 0.301 187 F C 0.371 176.183 175.800 0.020 0.000 1.103 187 F CA 0.053 58.039 58.000 -0.023 0.000 1.291 187 F CB 2.000 40.968 39.000 -0.053 0.000 1.086 187 F HN -0.733 7.536 8.300 0.282 0.200 0.592 188 G N -2.159 106.734 108.800 0.156 0.000 2.159 188 G HA2 -0.253 nan 3.960 nan 0.000 0.170 188 G HA3 -0.253 nan 3.960 nan 0.000 0.170 188 G C -0.784 174.161 174.900 0.076 0.000 1.007 188 G CA -0.253 44.908 45.100 0.101 0.000 0.672 188 G HN -0.259 7.957 8.290 0.117 0.144 0.507 189 G N -0.424 108.415 108.800 0.066 0.000 2.389 189 G HA2 0.334 nan 3.960 nan 0.000 0.328 189 G HA3 0.334 nan 3.960 nan 0.000 0.328 189 G C -2.009 172.878 174.900 -0.022 0.000 1.133 189 G CA -1.527 43.593 45.100 0.033 0.000 0.891 189 G HN -0.139 8.103 8.290 0.083 0.097 0.485 190 D N 2.580 122.967 120.400 -0.022 0.000 2.365 190 D HA 0.330 nan 4.640 nan 0.000 0.237 190 D C -0.220 176.048 176.300 -0.053 0.000 1.190 190 D CA -3.267 50.704 54.000 -0.048 0.000 0.867 190 D CB 1.201 41.978 40.800 -0.037 0.000 1.050 190 D HN 0.194 8.452 8.370 -0.005 0.108 0.491 191 P HA -0.140 nan 4.420 nan 0.000 0.228 191 P C -0.343 176.932 177.300 -0.041 0.000 1.151 191 P CA 1.234 64.268 63.100 -0.109 0.000 0.770 191 P CB 0.175 31.707 31.700 -0.280 0.000 0.786 192 K N -3.648 116.724 120.400 -0.047 0.000 2.323 192 K HA 0.079 nan 4.320 nan 0.000 0.197 192 K C -0.239 176.349 176.600 -0.019 0.000 1.043 192 K CA 1.160 57.431 56.287 -0.027 0.000 0.997 192 K CB 1.022 33.497 32.500 -0.042 0.000 0.807 192 K HN -0.109 8.359 8.250 -0.063 -0.256 0.497 193 T N 2.473 117.016 114.554 -0.019 0.000 3.390 193 T HA 0.308 nan 4.350 nan 0.000 0.351 193 T C -2.451 172.253 174.700 0.006 0.000 1.759 193 T CA -0.153 61.935 62.100 -0.020 0.000 1.561 193 T CB 0.212 69.054 68.868 -0.043 0.000 1.011 193 T HN -0.175 7.933 8.240 -0.024 0.118 0.689 194 V N 5.836 125.777 119.914 0.045 0.000 2.334 194 V HA 0.559 nan 4.120 nan 0.000 0.281 194 V C -1.083 175.088 176.094 0.129 0.000 1.016 194 V CA -0.918 61.434 62.300 0.086 0.000 0.832 194 V CB 1.745 33.641 31.823 0.122 0.000 0.999 194 V HN -0.242 7.978 8.190 0.050 0.000 0.439 195 T N 10.120 124.731 114.554 0.095 0.000 2.749 195 T HA 0.679 nan 4.350 nan 0.000 0.287 195 T C -0.800 173.985 174.700 0.142 0.000 0.970 195 T CA -0.729 61.443 62.100 0.120 0.000 0.980 195 T CB 0.195 69.092 68.868 0.049 0.000 0.924 195 T HN 0.848 9.019 8.240 0.056 0.103 0.456 196 I N 2.219 122.878 120.570 0.148 0.000 2.297 196 I HA 0.952 nan 4.170 nan 0.000 0.291 196 I C -1.751 174.512 176.117 0.244 0.000 1.033 196 I CA -1.484 59.887 61.300 0.119 0.000 1.253 196 I CB -0.088 37.816 38.000 -0.159 0.000 1.396 196 I HN 0.172 8.482 8.210 0.167 0.000 0.476 197 F N 5.237 125.224 119.950 0.061 0.000 2.508 197 F HA 1.009 nan 4.527 nan 0.000 0.325 197 F C -1.972 173.735 175.800 -0.155 0.000 1.090 197 F CA -4.186 53.873 58.000 0.098 0.000 0.945 197 F CB 2.009 41.212 39.000 0.339 0.000 1.156 197 F HN 0.743 9.601 8.300 0.930 0.000 0.463 198 G N -1.279 107.380 108.800 -0.235 0.000 2.692 198 G HA2 0.370 nan 3.960 nan 0.000 0.291 198 G HA3 0.370 nan 3.960 nan 0.000 0.291 198 G C -3.269 171.420 174.900 -0.351 0.000 1.423 198 G CA -0.520 44.142 45.100 -0.731 0.000 0.843 198 G HN 0.275 8.584 8.290 0.031 0.000 0.486 199 E N 0.580 120.559 120.200 -0.367 0.000 2.266 199 E HA 0.744 nan 4.350 nan 0.000 0.268 199 E C 0.163 176.700 176.600 -0.105 0.000 0.879 199 E CA -2.151 54.212 56.400 -0.061 0.000 0.762 199 E CB 3.378 33.172 29.700 0.157 0.000 1.199 199 E HN -0.283 7.680 8.360 -0.661 0.000 0.422 200 S N 7.103 122.771 115.700 -0.052 0.000 4.157 200 S HA -0.447 nan 4.470 nan 0.000 0.578 200 S C 0.490 175.122 174.600 0.053 0.000 1.867 200 S CA 2.439 60.650 58.200 0.018 0.000 4.249 200 S CB -1.722 61.440 63.200 -0.063 0.000 0.208 200 S HN 0.968 9.261 8.310 -0.028 0.000 0.457 201 A N 3.904 126.618 122.820 -0.175 0.000 2.021 201 A HA 0.051 nan 4.320 nan 0.000 0.216 201 A C 1.944 179.338 177.584 -0.317 0.000 1.163 201 A CA 2.203 54.002 52.037 -0.396 0.000 0.676 201 A CB -0.112 18.241 19.000 -1.078 0.000 0.818 201 A HN 0.196 8.196 8.150 -0.250 0.000 0.453 202 G N -1.512 107.143 108.800 -0.241 0.000 2.414 202 G HA2 -0.357 nan 3.960 nan 0.000 0.215 202 G HA3 -0.357 nan 3.960 nan 0.000 0.215 202 G C 0.883 175.635 174.900 -0.246 0.000 1.188 202 G CA 2.242 47.170 45.100 -0.286 0.000 0.783 202 G HN 0.111 8.198 8.290 -0.219 0.071 0.537 203 G N 0.395 109.082 108.800 -0.188 0.000 2.448 203 G HA2 -0.301 nan 3.960 nan 0.000 0.219 203 G HA3 -0.301 nan 3.960 nan 0.000 0.219 203 G C 0.565 175.385 174.900 -0.132 0.000 1.127 203 G CA 1.397 46.422 45.100 -0.126 0.000 0.766 203 G HN 0.431 8.576 8.290 -0.173 0.041 0.552 204 A N 0.078 122.843 122.820 -0.091 0.000 2.072 204 A HA 0.143 nan 4.320 nan 0.000 0.216 204 A C 2.074 179.614 177.584 -0.074 0.000 1.156 204 A CA 1.960 53.928 52.037 -0.116 0.000 0.701 204 A CB -0.482 18.480 19.000 -0.063 0.000 0.816 204 A HN -0.488 7.506 8.150 -0.053 0.124 0.458 205 S N 0.449 116.117 115.700 -0.052 0.000 2.357 205 S HA -0.207 nan 4.470 nan 0.000 0.221 205 S C 2.168 176.681 174.600 -0.144 0.000 1.031 205 S CA 3.527 61.681 58.200 -0.076 0.000 0.982 205 S CB -0.131 62.993 63.200 -0.127 0.000 0.853 205 S HN -0.228 7.809 8.310 -0.086 0.221 0.458 206 V N 1.060 120.902 119.914 -0.119 0.000 2.250 206 V HA -0.417 nan 4.120 nan 0.000 0.250 206 V C 1.914 177.951 176.094 -0.095 0.000 1.060 206 V CA 4.898 67.135 62.300 -0.106 0.000 1.030 206 V CB -0.559 31.195 31.823 -0.116 0.000 0.643 206 V HN 0.498 8.603 8.190 -0.140 0.000 0.445 207 G N -3.896 104.817 108.800 -0.146 0.000 2.471 207 G HA2 -0.282 nan 3.960 nan 0.000 0.219 207 G HA3 -0.282 nan 3.960 nan 0.000 0.219 207 G C 0.988 175.886 174.900 -0.003 0.000 1.125 207 G CA 1.935 46.942 45.100 -0.156 0.000 0.775 207 G HN -0.481 7.695 8.290 -0.189 0.000 0.548 208 M N 1.012 120.611 119.600 -0.001 0.000 2.200 208 M HA -0.385 nan 4.480 nan 0.000 0.265 208 M C 1.747 178.130 176.300 0.138 0.000 1.066 208 M CA 3.836 59.243 55.300 0.178 0.000 1.127 208 M CB -0.139 32.598 32.600 0.227 0.000 1.379 208 M HN -0.359 7.725 8.290 -0.077 0.159 0.420 209 H N -0.564 118.591 119.070 0.142 0.000 2.462 209 H HA -0.264 nan 4.556 nan 0.000 0.292 209 H C 1.670 177.174 175.328 0.294 0.000 1.049 209 H CA 3.265 59.373 56.048 0.101 0.000 1.334 209 H CB -0.077 29.604 29.762 -0.135 0.000 1.404 209 H HN -0.415 7.797 8.280 -0.113 0.000 0.544 210 I N -2.879 117.927 120.570 0.393 0.000 2.493 210 I HA -0.436 nan 4.170 nan 0.000 0.254 210 I C 0.884 177.244 176.117 0.406 0.000 1.160 210 I CA 3.267 64.872 61.300 0.507 0.000 1.445 210 I CB 0.164 38.393 38.000 0.382 0.000 1.086 210 I HN -0.398 7.857 8.210 0.228 0.092 0.433 211 L N -1.462 119.959 121.223 0.330 0.000 2.121 211 L HA -0.117 nan 4.340 nan 0.000 0.200 211 L C 0.386 177.365 176.870 0.181 0.000 1.077 211 L CA 1.669 56.702 54.840 0.321 0.000 0.766 211 L CB 0.491 42.780 42.059 0.383 0.000 0.931 211 L HN -0.793 7.469 8.230 0.295 0.144 0.452 212 S N -0.714 114.999 115.700 0.021 0.000 2.629 212 S HA -0.098 nan 4.470 nan 0.000 0.302 212 S C -0.219 174.280 174.600 -0.169 0.000 1.244 212 S CA 0.011 58.042 58.200 -0.281 0.000 1.098 212 S CB 0.413 63.074 63.200 -0.899 0.000 0.858 212 S HN -0.014 8.230 8.310 0.064 0.104 0.502 213 P HA -0.172 nan 4.420 nan 0.000 0.216 213 P C 0.758 177.980 177.300 -0.129 0.000 1.154 213 P CA 2.044 65.087 63.100 -0.096 0.000 0.865 213 P CB 0.079 31.726 31.700 -0.089 0.000 0.789 214 G N -4.041 104.633 108.800 -0.211 0.000 2.586 214 G HA2 -0.179 nan 3.960 nan 0.000 0.215 214 G HA3 -0.179 nan 3.960 nan 0.000 0.215 214 G C 0.938 175.748 174.900 -0.151 0.000 1.128 214 G CA 1.017 45.998 45.100 -0.197 0.000 0.774 214 G HN -0.190 7.923 8.290 -0.282 0.007 0.543 215 S N 0.245 115.889 115.700 -0.093 0.000 2.539 215 S HA 0.240 nan 4.470 nan 0.000 0.226 215 S C 1.739 176.439 174.600 0.167 0.000 1.054 215 S CA 1.093 59.333 58.200 0.067 0.000 0.910 215 S CB 1.138 64.468 63.200 0.217 0.000 0.818 215 S HN -0.377 7.701 8.310 -0.113 0.164 0.490 216 R N 2.480 123.015 120.500 0.059 0.000 2.159 216 R HA -0.392 nan 4.340 nan 0.000 0.252 216 R C 2.244 178.251 176.300 -0.488 0.000 1.144 216 R CA 3.783 59.754 56.100 -0.215 0.000 0.961 216 R CB -0.385 29.849 30.300 -0.110 0.000 0.877 216 R HN -0.874 7.425 8.270 0.050 0.000 0.444 217 D N -2.255 117.978 120.400 -0.279 0.000 2.348 217 D HA -0.133 nan 4.640 nan 0.000 0.216 217 D C 0.977 177.094 176.300 -0.305 0.000 0.970 217 D CA 2.105 55.941 54.000 -0.274 0.000 0.889 217 D CB -0.730 39.953 40.800 -0.196 0.000 0.912 217 D HN 0.021 8.261 8.370 -0.187 0.018 0.524 218 L N -3.317 117.752 121.223 -0.257 0.000 2.591 218 L HA -0.014 nan 4.340 nan 0.000 0.228 218 L C -0.421 176.500 176.870 0.085 0.000 1.133 218 L CA 0.453 55.191 54.840 -0.169 0.000 0.880 218 L CB 0.221 42.233 42.059 -0.077 0.000 1.033 218 L HN -0.372 7.580 8.230 -0.193 0.162 0.450 219 F N -7.049 112.874 119.950 -0.045 0.000 2.693 219 F HA 0.436 nan 4.527 nan 0.000 0.309 219 F C -2.143 173.669 175.800 0.020 0.000 1.129 219 F CA -1.552 56.450 58.000 0.003 0.000 0.948 219 F CB 1.329 40.332 39.000 0.004 0.000 1.315 219 F HN -0.768 7.105 8.300 -0.617 0.056 0.447 220 R N 0.858 121.412 120.500 0.089 0.000 2.062 220 R HA 0.143 nan 4.340 nan 0.000 0.218 220 R C -0.443 175.918 176.300 0.101 0.000 1.161 220 R CA 0.517 56.620 56.100 0.006 0.000 0.994 220 R CB 2.335 32.638 30.300 0.004 0.000 0.888 220 R HN 0.651 9.051 8.270 0.217 0.000 0.442 221 R N -5.865 114.768 120.500 0.223 0.000 2.836 221 R HA 0.540 nan 4.340 nan 0.000 0.269 221 R C -2.249 174.270 176.300 0.365 0.000 1.010 221 R CA -2.246 54.014 56.100 0.267 0.000 0.930 221 R CB 3.586 33.931 30.300 0.074 0.000 1.218 221 R HN -0.843 7.568 8.270 0.234 0.000 0.473 222 A N -1.417 121.623 122.820 0.366 0.000 2.386 222 A HA 0.870 nan 4.320 nan 0.000 0.311 222 A C -2.448 175.238 177.584 0.171 0.000 1.068 222 A CA -1.731 50.452 52.037 0.244 0.000 0.743 222 A CB 3.142 22.245 19.000 0.172 0.000 1.258 222 A HN -0.006 8.384 8.150 0.399 0.000 0.429 223 I N 1.725 122.374 120.570 0.131 0.000 2.418 223 I HA 0.518 nan 4.170 nan 0.000 0.287 223 I C -1.951 174.246 176.117 0.134 0.000 1.008 223 I CA -0.985 60.346 61.300 0.052 0.000 1.104 223 I CB 2.573 40.633 38.000 0.101 0.000 1.264 223 I HN 0.051 8.368 8.210 0.179 0.000 0.438 224 L N 7.158 128.430 121.223 0.082 0.000 2.325 224 L HA 0.547 nan 4.340 nan 0.000 0.281 224 L C -1.743 175.212 176.870 0.141 0.000 1.004 224 L CA -0.937 53.938 54.840 0.058 0.000 0.823 224 L CB 0.843 42.865 42.059 -0.062 0.000 1.236 224 L HN 0.396 8.651 8.230 0.042 0.000 0.415 225 Q N 2.979 122.892 119.800 0.187 0.000 2.357 225 Q HA 0.544 nan 4.340 nan 0.000 0.266 225 Q C -0.006 176.053 176.000 0.099 0.000 1.021 225 Q CA -1.827 54.126 55.803 0.249 0.000 0.784 225 Q CB 1.127 30.139 28.738 0.456 0.000 1.243 225 Q HN 0.856 9.209 8.270 0.138 0.000 0.465 226 S N 4.748 120.487 115.700 0.065 0.000 3.697 226 S HA -0.430 nan 4.470 nan 0.000 0.388 226 S C -1.208 173.471 174.600 0.132 0.000 0.941 226 S CA 1.412 59.653 58.200 0.069 0.000 1.247 226 S CB -1.750 61.432 63.200 -0.028 0.000 0.904 226 S HN 1.008 9.351 8.310 0.055 0.000 0.518 227 G N -2.113 106.735 108.800 0.079 0.000 2.429 227 G HA2 0.050 nan 3.960 nan 0.000 0.300 227 G HA3 0.050 nan 3.960 nan 0.000 0.300 227 G C -2.580 172.245 174.900 -0.125 0.000 1.598 227 G CA -0.201 44.962 45.100 0.105 0.000 0.863 227 G HN -0.319 7.978 8.290 0.012 0.000 0.614 228 S N 0.008 115.553 115.700 -0.258 0.000 2.618 228 S HA 0.613 nan 4.470 nan 0.000 0.277 228 S C -1.071 173.232 174.600 -0.496 0.000 1.138 228 S CA -2.048 55.845 58.200 -0.511 0.000 0.844 228 S CB 2.743 65.630 63.200 -0.522 0.000 1.127 228 S HN -0.547 7.621 8.310 -0.237 0.000 0.474 229 P HA 0.013 nan 4.420 nan 0.000 0.229 229 P C -1.073 175.991 177.300 -0.394 0.000 1.160 229 P CA 1.644 64.523 63.100 -0.369 0.000 0.777 229 P CB 0.203 31.762 31.700 -0.235 0.000 0.814 230 N N -4.642 113.845 118.700 -0.355 0.000 2.434 230 N HA -0.109 nan 4.740 nan 0.000 0.196 230 N C -0.581 174.692 175.510 -0.396 0.000 1.183 230 N CA -0.708 52.175 53.050 -0.278 0.000 0.849 230 N CB -1.281 37.161 38.487 -0.074 0.000 0.992 230 N HN -0.100 8.016 8.380 -0.386 0.033 0.460 231 C N 2.586 121.516 119.300 -0.616 0.000 2.644 231 C HA 0.253 nan 4.460 nan 0.000 0.417 231 C C -0.113 174.349 174.990 -0.881 0.000 1.304 231 C CA -0.904 57.594 59.018 -0.866 0.000 2.035 231 C CB -0.823 26.089 27.740 -1.381 0.000 2.673 231 C HN -0.557 7.189 8.230 -0.653 0.092 0.602 232 P HA -0.127 nan 4.420 nan 0.000 0.223 232 P C -1.356 175.808 177.300 -0.227 0.000 1.144 232 P CA 1.681 64.541 63.100 -0.399 0.000 0.783 232 P CB 0.087 31.596 31.700 -0.319 0.000 0.771 233 W N -9.148 112.091 121.300 -0.102 0.000 3.127 233 W HA 0.252 nan 4.660 nan 0.000 0.344 233 W C -0.930 175.690 176.519 0.169 0.000 1.151 233 W CA -1.886 55.504 57.345 0.075 0.000 1.765 233 W CB -1.234 28.332 29.460 0.176 0.000 1.085 233 W HN -0.730 6.622 8.180 -1.279 0.061 0.596 234 A N -0.014 122.563 122.820 -0.405 0.000 2.147 234 A HA 0.093 nan 4.320 nan 0.000 0.211 234 A C -0.884 176.548 177.584 -0.254 0.000 1.160 234 A CA 0.986 52.868 52.037 -0.260 0.000 0.781 234 A CB 0.924 19.545 19.000 -0.633 0.000 0.842 234 A HN -0.454 7.064 8.150 -0.778 0.166 0.475 235 S N -3.364 112.189 115.700 -0.245 0.000 2.556 235 S HA 0.358 nan 4.470 nan 0.000 0.271 235 S C -0.707 173.795 174.600 -0.162 0.000 1.135 235 S CA -0.947 57.106 58.200 -0.246 0.000 0.858 235 S CB 3.274 66.263 63.200 -0.351 0.000 1.114 235 S HN -0.739 7.433 8.310 -0.229 0.000 0.468 236 V N -5.358 114.478 119.914 -0.130 0.000 3.078 236 V HA 0.613 nan 4.120 nan 0.000 0.311 236 V C -1.115 174.920 176.094 -0.097 0.000 1.138 236 V CA -2.536 59.708 62.300 -0.093 0.000 1.007 236 V CB 3.485 35.275 31.823 -0.055 0.000 1.045 236 V HN 0.644 8.755 8.190 -0.133 0.000 0.432 237 S N 0.624 116.270 115.700 -0.090 0.000 2.593 237 S HA 0.177 nan 4.470 nan 0.000 0.269 237 S C 1.381 175.932 174.600 -0.082 0.000 1.334 237 S CA 0.402 58.548 58.200 -0.090 0.000 1.015 237 S CB 1.112 64.266 63.200 -0.078 0.000 0.912 237 S HN 0.054 8.312 8.310 -0.085 0.000 0.541 238 V N 2.840 122.686 119.914 -0.113 0.000 2.380 238 V HA -0.480 nan 4.120 nan 0.000 0.251 238 V C 1.421 177.484 176.094 -0.052 0.000 1.063 238 V CA 4.451 66.673 62.300 -0.130 0.000 1.055 238 V CB -0.792 30.872 31.823 -0.265 0.000 0.657 238 V HN 0.851 8.964 8.190 -0.130 0.000 0.455 239 A N -2.167 120.624 122.820 -0.049 0.000 1.841 239 A HA -0.377 nan 4.320 nan 0.000 0.216 239 A C 1.858 179.423 177.584 -0.031 0.000 1.199 239 A CA 3.306 55.325 52.037 -0.029 0.000 0.621 239 A CB -0.934 18.045 19.000 -0.034 0.000 0.835 239 A HN -0.229 7.871 8.150 -0.064 0.012 0.445 240 E N -1.293 118.879 120.200 -0.047 0.000 2.097 240 E HA -0.346 nan 4.350 nan 0.000 0.196 240 E C 2.701 179.282 176.600 -0.031 0.000 1.000 240 E CA 2.632 58.997 56.400 -0.058 0.000 0.804 240 E CB -0.211 29.443 29.700 -0.077 0.000 0.740 240 E HN -0.320 8.007 8.360 -0.054 0.000 0.454 241 G N -2.162 106.632 108.800 -0.009 0.000 2.422 241 G HA2 -0.312 nan 3.960 nan 0.000 0.218 241 G HA3 -0.312 nan 3.960 nan 0.000 0.218 241 G C 1.207 176.132 174.900 0.041 0.000 1.146 241 G CA 1.554 46.676 45.100 0.038 0.000 0.769 241 G HN 0.261 8.536 8.290 -0.023 0.002 0.547 242 R N 2.324 122.835 120.500 0.019 0.000 2.070 242 R HA -0.334 nan 4.340 nan 0.000 0.232 242 R C 2.041 178.347 176.300 0.011 0.000 1.138 242 R CA 3.123 59.233 56.100 0.017 0.000 0.936 242 R CB -0.132 30.178 30.300 0.017 0.000 0.839 242 R HN -0.199 7.961 8.270 0.007 0.114 0.429 243 R N -1.421 119.076 120.500 -0.004 0.000 2.096 243 R HA -0.384 nan 4.340 nan 0.000 0.240 243 R C 2.538 178.835 176.300 -0.005 0.000 1.139 243 R CA 3.162 59.253 56.100 -0.015 0.000 0.952 243 R CB -0.875 29.403 30.300 -0.037 0.000 0.854 243 R HN 0.039 8.302 8.270 -0.012 0.000 0.436 244 R N -1.542 118.957 120.500 -0.002 0.000 2.241 244 R HA -0.255 nan 4.340 nan 0.000 0.224 244 R C 2.318 178.716 176.300 0.165 0.000 1.101 244 R CA 2.677 58.784 56.100 0.012 0.000 0.995 244 R CB -0.584 29.677 30.300 -0.066 0.000 0.870 244 R HN 0.237 8.500 8.270 -0.012 0.000 0.463 245 A N -0.085 122.813 122.820 0.129 0.000 1.874 245 A HA -0.043 nan 4.320 nan 0.000 0.214 245 A C 2.183 179.781 177.584 0.023 0.000 1.189 245 A CA 2.963 55.044 52.037 0.074 0.000 0.615 245 A CB -0.441 18.548 19.000 -0.019 0.000 0.830 245 A HN -0.159 7.869 8.150 0.079 0.170 0.443 246 V N -4.804 115.118 119.914 0.014 0.000 2.591 246 V HA -0.256 nan 4.120 nan 0.000 0.249 246 V C 1.821 177.923 176.094 0.013 0.000 1.053 246 V CA 3.121 65.422 62.300 0.003 0.000 1.068 246 V CB -1.102 30.720 31.823 -0.002 0.000 0.689 246 V HN -0.356 7.762 8.190 0.016 0.081 0.462 247 E N 1.140 121.352 120.200 0.021 0.000 2.051 247 E HA -0.287 nan 4.350 nan 0.000 0.192 247 E C 2.183 178.806 176.600 0.038 0.000 0.991 247 E CA 2.471 58.881 56.400 0.017 0.000 0.799 247 E CB -0.674 29.023 29.700 -0.005 0.000 0.748 247 E HN 0.167 8.541 8.360 0.022 0.000 0.449 248 L N -1.348 119.922 121.223 0.079 0.000 2.265 248 L HA -0.190 nan 4.340 nan 0.000 0.215 248 L C 1.646 178.546 176.870 0.049 0.000 1.117 248 L CA 2.563 57.466 54.840 0.106 0.000 0.782 248 L CB -0.218 41.977 42.059 0.227 0.000 0.914 248 L HN -0.579 7.714 8.230 0.105 0.000 0.441 249 G N -1.761 107.054 108.800 0.024 0.000 2.394 249 G HA2 -0.296 nan 3.960 nan 0.000 0.214 249 G HA3 -0.296 nan 3.960 nan 0.000 0.214 249 G C 1.240 176.147 174.900 0.013 0.000 1.176 249 G CA 1.633 46.736 45.100 0.005 0.000 0.786 249 G HN -0.642 7.569 8.290 0.027 0.095 0.533 250 R N 1.410 121.919 120.500 0.015 0.000 2.083 250 R HA -0.429 nan 4.340 nan 0.000 0.237 250 R C 2.944 179.257 176.300 0.023 0.000 1.137 250 R CA 3.833 59.943 56.100 0.016 0.000 0.951 250 R CB -0.362 29.947 30.300 0.014 0.000 0.851 250 R HN 0.262 8.370 8.270 0.015 0.171 0.434 251 N N -0.339 118.380 118.700 0.031 0.000 2.258 251 N HA -0.256 nan 4.740 nan 0.000 0.187 251 N C 0.909 176.444 175.510 0.041 0.000 1.012 251 N CA 2.826 55.901 53.050 0.041 0.000 0.870 251 N CB 0.134 38.654 38.487 0.055 0.000 0.977 251 N HN -0.222 8.178 8.380 0.032 0.000 0.434 252 L N -3.106 118.138 121.223 0.034 0.000 2.808 252 L HA 0.171 nan 4.340 nan 0.000 0.246 252 L C -1.610 175.272 176.870 0.019 0.000 1.153 252 L CA -0.619 54.240 54.840 0.032 0.000 0.956 252 L CB -0.010 42.069 42.059 0.034 0.000 1.270 252 L HN -0.720 7.379 8.230 0.030 0.149 0.528 253 N N -3.056 115.654 118.700 0.017 0.000 2.708 253 N HA -0.437 nan 4.740 nan 0.000 0.255 253 N C -0.630 174.881 175.510 0.002 0.000 1.046 253 N CA 1.507 54.564 53.050 0.011 0.000 0.715 253 N CB -2.051 36.443 38.487 0.012 0.000 0.895 253 N HN -0.105 8.085 8.380 0.020 0.202 0.545 254 c N -1.710 116.890 118.600 0.000 0.000 2.365 254 c HA 0.194 nan 4.570 nan 0.000 0.349 254 c C -0.434 173.654 174.090 -0.003 0.000 1.191 254 c CA -0.829 55.494 56.329 -0.009 0.000 2.114 254 c CB 1.906 44.409 42.510 -0.012 0.000 2.367 254 c HN -0.182 8.051 8.230 0.004 0.000 0.530 255 N N 1.409 120.107 118.700 -0.003 0.000 2.416 255 N HA -0.135 nan 4.740 nan 0.000 0.271 255 N C 0.323 175.837 175.510 0.007 0.000 1.245 255 N CA 0.781 53.835 53.050 0.006 0.000 0.940 255 N CB -0.096 38.400 38.487 0.015 0.000 1.175 255 N HN 0.330 8.703 8.380 -0.011 0.000 0.483 256 L N 5.339 126.565 121.223 0.005 0.000 2.558 256 L HA -0.109 nan 4.340 nan 0.000 0.225 256 L C 0.451 177.324 176.870 0.005 0.000 1.128 256 L CA 1.019 55.861 54.840 0.003 0.000 0.868 256 L CB -0.048 42.012 42.059 0.001 0.000 1.006 256 L HN 0.207 8.440 8.230 0.005 0.000 0.454 257 N N -2.274 116.431 118.700 0.008 0.000 2.272 257 N HA -0.131 nan 4.740 nan 0.000 0.185 257 N C -0.159 175.357 175.510 0.010 0.000 1.014 257 N CA 1.850 54.905 53.050 0.009 0.000 0.870 257 N CB -0.119 38.375 38.487 0.011 0.000 0.975 257 N HN -0.094 8.237 8.380 0.010 0.055 0.433 258 S N -2.125 113.583 115.700 0.013 0.000 2.672 258 S HA 0.227 nan 4.470 nan 0.000 0.291 258 S C -0.698 173.910 174.600 0.014 0.000 1.145 258 S CA -0.915 57.293 58.200 0.014 0.000 1.013 258 S CB 3.037 66.250 63.200 0.021 0.000 1.017 258 S HN -0.583 7.699 8.310 0.015 0.037 0.487 259 D N 6.412 126.816 120.400 0.007 0.000 2.170 259 D HA -0.427 nan 4.640 nan 0.000 0.193 259 D C 1.499 177.805 176.300 0.010 0.000 1.004 259 D CA 3.915 57.915 54.000 0.000 0.000 0.860 259 D CB 0.146 40.943 40.800 -0.005 0.000 0.931 259 D HN 0.726 9.099 8.370 0.005 0.000 0.448 260 E N -2.358 117.856 120.200 0.023 0.000 2.216 260 E HA -0.098 nan 4.350 nan 0.000 0.192 260 E C 2.722 179.372 176.600 0.082 0.000 0.988 260 E CA 2.618 59.044 56.400 0.043 0.000 0.834 260 E CB -0.402 29.317 29.700 0.031 0.000 0.772 260 E HN 0.554 8.913 8.360 0.019 0.012 0.479 261 E N 1.144 121.387 120.200 0.073 0.000 2.158 261 E HA -0.136 nan 4.350 nan 0.000 0.191 261 E C 2.425 179.067 176.600 0.070 0.000 0.982 261 E CA 2.280 58.740 56.400 0.099 0.000 0.823 261 E CB -0.596 29.143 29.700 0.066 0.000 0.766 261 E HN -0.235 8.048 8.360 0.049 0.107 0.468 262 L N 0.814 122.058 121.223 0.035 0.000 2.027 262 L HA -0.291 nan 4.340 nan 0.000 0.206 262 L C 1.630 178.505 176.870 0.010 0.000 1.074 262 L CA 3.480 58.323 54.840 0.004 0.000 0.745 262 L CB 0.339 42.388 42.059 -0.017 0.000 0.898 262 L HN 0.373 8.526 8.230 0.030 0.096 0.433 263 I N -2.498 118.089 120.570 0.029 0.000 2.286 263 I HA -0.478 nan 4.170 nan 0.000 0.248 263 I C 2.514 178.738 176.117 0.179 0.000 1.115 263 I CA 2.808 64.144 61.300 0.061 0.000 1.392 263 I CB -1.651 36.389 38.000 0.068 0.000 1.065 263 I HN -0.029 8.088 8.210 0.026 0.109 0.418 264 H N 1.387 120.493 119.070 0.060 0.000 2.363 264 H HA -0.184 nan 4.556 nan 0.000 0.301 264 H C 2.112 177.485 175.328 0.074 0.000 1.074 264 H CA 3.286 59.375 56.048 0.068 0.000 1.354 264 H CB -0.092 29.697 29.762 0.046 0.000 1.397 264 H HN -0.145 8.146 8.280 0.217 0.120 0.516 265 c N -0.665 117.881 118.600 -0.089 0.000 2.413 265 c HA -0.324 nan 4.570 nan 0.000 0.278 265 c C 2.621 176.695 174.090 -0.026 0.000 1.224 265 c CA 3.743 59.974 56.329 -0.163 0.000 1.732 265 c CB -1.429 41.032 42.510 -0.083 0.000 2.050 265 c HN -0.298 7.942 8.230 0.016 0.000 0.463 266 L N -0.841 120.414 121.223 0.055 0.000 2.127 266 L HA -0.460 nan 4.340 nan 0.000 0.211 266 L C 2.190 179.224 176.870 0.275 0.000 1.089 266 L CA 3.145 58.073 54.840 0.147 0.000 0.757 266 L CB -0.728 41.386 42.059 0.091 0.000 0.899 266 L HN 0.056 8.307 8.230 0.036 0.000 0.434 267 R N -2.817 117.850 120.500 0.278 0.000 2.276 267 R HA -0.222 nan 4.340 nan 0.000 0.203 267 R C 1.190 177.579 176.300 0.148 0.000 1.017 267 R CA 2.283 58.522 56.100 0.232 0.000 1.010 267 R CB -0.263 30.191 30.300 0.256 0.000 0.900 267 R HN -0.419 7.879 8.270 0.245 0.119 0.469 268 E N -2.579 117.683 120.200 0.102 0.000 2.166 268 E HA 0.001 nan 4.350 nan 0.000 0.192 268 E C 0.201 176.837 176.600 0.058 0.000 0.967 268 E CA 1.077 57.512 56.400 0.059 0.000 0.840 268 E CB 0.983 30.658 29.700 -0.042 0.000 0.795 268 E HN -0.280 7.939 8.360 0.073 0.185 0.470 269 K N -0.880 119.558 120.400 0.064 0.000 2.489 269 K HA -0.174 nan 4.320 nan 0.000 0.278 269 K C -0.090 176.574 176.600 0.107 0.000 1.000 269 K CA -0.705 55.628 56.287 0.077 0.000 1.012 269 K CB -0.261 32.291 32.500 0.087 0.000 0.903 269 K HN -0.776 7.511 8.250 0.062 0.000 0.485 270 K N 3.125 123.583 120.400 0.098 0.000 2.234 270 K HA -0.079 nan 4.320 nan 0.000 0.251 270 K C -0.124 176.582 176.600 0.177 0.000 1.011 270 K CA 0.299 56.652 56.287 0.110 0.000 0.889 270 K CB -0.973 31.577 32.500 0.084 0.000 1.011 270 K HN -0.367 8.202 8.250 0.081 -0.270 0.505 271 P HA -0.227 nan 4.420 nan 0.000 0.214 271 P C 1.609 179.124 177.300 0.358 0.000 1.163 271 P CA 2.923 66.242 63.100 0.364 0.000 0.883 271 P CB 0.182 31.951 31.700 0.115 0.000 0.788 272 Q N -4.479 115.448 119.800 0.213 0.000 2.297 272 Q HA -0.246 nan 4.340 nan 0.000 0.208 272 Q C 2.572 178.682 176.000 0.183 0.000 0.981 272 Q CA 3.024 58.941 55.803 0.191 0.000 0.876 272 Q CB -1.042 27.772 28.738 0.126 0.000 0.921 272 Q HN 0.644 9.007 8.270 0.156 0.000 0.446 273 E N -0.432 119.866 120.200 0.164 0.000 2.150 273 E HA -0.275 nan 4.350 nan 0.000 0.193 273 E C 2.310 178.996 176.600 0.143 0.000 0.985 273 E CA 2.593 59.074 56.400 0.134 0.000 0.814 273 E CB -0.374 29.391 29.700 0.109 0.000 0.752 273 E HN -0.606 7.814 8.360 0.167 0.041 0.466 274 L N -0.866 120.455 121.223 0.164 0.000 2.068 274 L HA -0.209 nan 4.340 nan 0.000 0.204 274 L C 1.855 178.823 176.870 0.163 0.000 1.076 274 L CA 2.455 57.362 54.840 0.111 0.000 0.753 274 L CB -0.218 41.823 42.059 -0.029 0.000 0.910 274 L HN -0.415 7.812 8.230 0.207 0.127 0.439 275 I N -1.385 119.335 120.570 0.251 0.000 2.286 275 I HA -0.592 nan 4.170 nan 0.000 0.248 275 I C 2.794 179.096 176.117 0.309 0.000 1.115 275 I CA 3.835 65.322 61.300 0.311 0.000 1.392 275 I CB -0.672 37.548 38.000 0.367 0.000 1.065 275 I HN -0.456 7.932 8.210 0.295 0.000 0.418 276 D N 0.278 120.829 120.400 0.251 0.000 2.116 276 D HA -0.224 nan 4.640 nan 0.000 0.193 276 D C 1.495 177.937 176.300 0.237 0.000 0.998 276 D CA 3.262 57.402 54.000 0.233 0.000 0.836 276 D CB -0.063 40.837 40.800 0.166 0.000 0.951 276 D HN 0.220 8.607 8.370 0.222 0.116 0.449 277 V N -7.936 112.092 119.914 0.190 0.000 3.376 277 V HA 0.420 nan 4.120 nan 0.000 0.313 277 V C 0.975 177.149 176.094 0.135 0.000 1.393 277 V CA -1.177 61.221 62.300 0.164 0.000 1.125 277 V CB -0.370 31.525 31.823 0.120 0.000 1.037 277 V HN -0.638 7.657 8.190 0.174 0.000 0.440 278 E N 3.248 123.518 120.200 0.116 0.000 2.147 278 E HA -0.304 nan 4.350 nan 0.000 0.199 278 E C 1.287 177.700 176.600 -0.311 0.000 1.005 278 E CA 3.607 59.962 56.400 -0.076 0.000 0.810 278 E CB -0.121 29.470 29.700 -0.182 0.000 0.736 278 E HN -0.472 7.808 8.360 0.181 0.188 0.460 279 W N -5.131 116.160 121.300 -0.015 0.000 2.863 279 W HA 0.021 nan 4.660 nan 0.000 0.258 279 W C 1.472 177.959 176.519 -0.054 0.000 1.298 279 W CA 0.909 58.212 57.345 -0.070 0.000 1.451 279 W CB -0.061 29.348 29.460 -0.085 0.000 1.107 279 W HN -0.175 8.127 8.180 0.247 0.026 0.641 280 N N -0.125 118.672 118.700 0.161 0.000 2.520 280 N HA -0.213 nan 4.740 nan 0.000 0.185 280 N C 0.876 176.405 175.510 0.030 0.000 1.068 280 N CA 2.581 55.689 53.050 0.097 0.000 0.911 280 N CB -0.441 38.097 38.487 0.086 0.000 0.961 280 N HN -0.298 8.064 8.380 0.163 0.116 0.446 281 V N -6.686 113.205 119.914 -0.038 0.000 3.235 281 V HA 0.111 nan 4.120 nan 0.000 0.259 281 V C 0.040 176.053 176.094 -0.135 0.000 1.133 281 V CA -0.049 62.189 62.300 -0.103 0.000 1.128 281 V CB 0.098 31.817 31.823 -0.174 0.000 0.757 281 V HN -0.676 7.415 8.190 -0.064 0.061 0.469 282 L N 1.213 122.379 121.223 -0.094 0.000 2.543 282 L HA 0.016 nan 4.340 nan 0.000 0.285 282 L C -0.878 175.903 176.870 -0.148 0.000 1.236 282 L CA 0.399 55.186 54.840 -0.089 0.000 0.871 282 L CB -0.592 41.542 42.059 0.125 0.000 1.121 282 L HN -0.836 7.369 8.230 -0.041 0.000 0.501 283 P HA 0.086 nan 4.420 nan 0.000 0.257 283 P C -2.135 174.978 177.300 -0.313 0.000 1.325 283 P CA 0.433 63.272 63.100 -0.436 0.000 0.850 283 P CB 0.118 31.462 31.700 -0.594 0.000 1.324 284 F N -4.782 115.174 119.950 0.010 0.000 2.744 284 F HA 0.149 nan 4.527 nan 0.000 0.311 284 F C -1.847 173.957 175.800 0.008 0.000 1.144 284 F CA -3.654 54.354 58.000 0.013 0.000 0.938 284 F CB 0.260 39.274 39.000 0.024 0.000 1.292 284 F HN -0.886 7.466 8.300 0.204 0.070 0.444 285 D N 2.891 123.428 120.400 0.228 0.000 2.317 285 D HA 0.089 nan 4.640 nan 0.000 0.252 285 D C -1.109 175.167 176.300 -0.041 0.000 1.174 285 D CA 0.304 54.354 54.000 0.082 0.000 0.866 285 D CB 0.002 40.825 40.800 0.040 0.000 1.127 285 D HN 0.147 8.643 8.370 0.209 0.000 0.467 286 S N 1.749 117.398 115.700 -0.086 0.000 2.578 286 S HA 0.363 nan 4.470 nan 0.000 0.272 286 S C -1.529 172.974 174.600 -0.161 0.000 1.145 286 S CA -0.663 57.400 58.200 -0.228 0.000 0.835 286 S CB 2.040 64.890 63.200 -0.584 0.000 1.104 286 S HN -0.062 8.235 8.310 -0.020 0.000 0.458 287 I N -3.104 117.375 120.570 -0.152 0.000 2.750 287 I HA 0.339 nan 4.170 nan 0.000 0.308 287 I C -0.746 175.325 176.117 -0.077 0.000 1.016 287 I CA -0.767 60.470 61.300 -0.104 0.000 1.098 287 I CB 1.567 39.538 38.000 -0.049 0.000 1.279 287 I HN 0.227 8.235 8.210 -0.170 0.100 0.454 288 F N 0.291 120.041 119.950 -0.333 0.000 3.039 288 F HA -0.310 nan 4.527 nan 0.000 0.287 288 F C -1.695 173.668 175.800 -0.728 0.000 0.956 288 F CA 0.642 58.288 58.000 -0.591 0.000 0.971 288 F CB -1.028 37.637 39.000 -0.559 0.000 0.943 288 F HN 0.349 8.555 8.300 -0.157 0.000 0.766 289 R N -1.387 118.723 120.500 -0.649 0.000 2.584 289 R HA 0.199 nan 4.340 nan 0.000 0.276 289 R C -1.707 174.247 176.300 -0.576 0.000 1.046 289 R CA -0.750 55.098 56.100 -0.421 0.000 0.906 289 R CB 3.394 33.661 30.300 -0.054 0.000 1.215 289 R HN -0.475 7.385 8.270 -0.684 0.000 0.449 290 F N 2.348 122.498 119.950 0.333 0.000 2.598 290 F HA 0.333 nan 4.527 nan 0.000 0.327 290 F C 0.460 176.254 175.800 -0.010 0.000 1.057 290 F CA -1.889 56.232 58.000 0.202 0.000 0.957 290 F CB 2.075 41.242 39.000 0.279 0.000 1.278 290 F HN 0.332 8.777 8.300 0.242 0.000 0.484 291 S N 1.494 117.112 115.700 -0.136 0.000 2.325 291 S HA -0.174 nan 4.470 nan 0.000 0.213 291 S C -0.465 173.849 174.600 -0.476 0.000 1.031 291 S CA 3.069 60.991 58.200 -0.464 0.000 0.984 291 S CB 0.423 63.075 63.200 -0.913 0.000 0.939 291 S HN 0.353 8.471 8.310 -0.321 0.000 0.438 292 F N -1.177 118.756 119.950 -0.028 0.000 2.308 292 F HA 0.198 nan 4.527 nan 0.000 0.370 292 F C -1.892 173.883 175.800 -0.042 0.000 1.100 292 F CA -0.988 57.017 58.000 0.008 0.000 1.108 292 F CB 0.282 39.310 39.000 0.047 0.000 1.293 292 F HN -0.234 7.968 8.300 -0.163 0.000 0.478 293 V N 3.657 123.604 119.914 0.055 0.000 3.155 293 V HA 0.364 nan 4.120 nan 0.000 0.313 293 V C -2.624 173.366 176.094 -0.174 0.000 1.162 293 V CA -4.293 57.831 62.300 -0.292 0.000 1.048 293 V CB 2.929 34.702 31.823 -0.084 0.000 1.092 293 V HN 0.008 8.269 8.190 0.117 0.000 0.447 294 P HA 0.058 nan 4.420 nan 0.000 0.267 294 P C -1.619 175.647 177.300 -0.057 0.000 1.200 294 P CA 0.288 63.357 63.100 -0.051 0.000 0.772 294 P CB 0.332 31.915 31.700 -0.195 0.000 0.855 295 V N -4.071 115.858 119.914 0.024 0.000 2.769 295 V HA 0.715 nan 4.120 nan 0.000 0.312 295 V C -0.287 175.836 176.094 0.047 0.000 1.058 295 V CA -3.051 59.243 62.300 -0.010 0.000 0.952 295 V CB 2.597 34.416 31.823 -0.008 0.000 1.019 295 V HN 0.483 9.097 8.190 0.070 -0.383 0.445 296 I N 3.812 124.353 120.570 -0.049 0.000 2.243 296 I HA 0.022 nan 4.170 nan 0.000 0.297 296 I C -0.594 175.536 176.117 0.021 0.000 1.161 296 I CA 0.238 61.541 61.300 0.006 0.000 1.298 296 I CB -1.280 36.637 38.000 -0.138 0.000 1.475 296 I HN -0.129 8.020 8.210 -0.102 0.000 0.561 297 D N 5.501 125.967 120.400 0.111 0.000 2.350 297 D HA -0.053 nan 4.640 nan 0.000 0.213 297 D C 0.818 177.161 176.300 0.073 0.000 1.031 297 D CA -0.967 53.016 54.000 -0.028 0.000 0.861 297 D CB 0.058 40.903 40.800 0.075 0.000 0.926 297 D HN -0.157 8.368 8.370 0.291 0.020 0.520 298 G N -0.988 107.895 108.800 0.138 0.000 2.199 298 G HA2 -0.374 nan 3.960 nan 0.000 0.254 298 G HA3 -0.374 nan 3.960 nan 0.000 0.254 298 G C -0.308 174.662 174.900 0.118 0.000 0.982 298 G CA 0.674 45.849 45.100 0.123 0.000 0.632 298 G HN -0.256 8.152 8.290 0.197 0.000 0.529 299 E N 0.015 120.299 120.200 0.139 0.000 2.098 299 E HA 0.049 nan 4.350 nan 0.000 0.196 299 E C 0.256 176.872 176.600 0.027 0.000 0.955 299 E CA -0.476 55.979 56.400 0.091 0.000 0.936 299 E CB 0.654 30.430 29.700 0.126 0.000 1.054 299 E HN -0.553 8.064 8.360 0.177 -0.152 0.482 300 F N -0.814 119.062 119.950 -0.124 0.000 2.161 300 F HA -0.238 nan 4.527 nan 0.000 0.300 300 F C -0.405 175.036 175.800 -0.598 0.000 1.089 300 F CA 2.768 60.548 58.000 -0.367 0.000 1.282 300 F CB 1.401 40.126 39.000 -0.460 0.000 1.010 300 F HN -0.785 7.924 8.300 0.224 -0.275 0.485 301 F N -4.013 116.060 119.950 0.204 0.000 2.403 301 F HA 0.412 nan 4.527 nan 0.000 0.355 301 F C -2.131 173.706 175.800 0.062 0.000 1.119 301 F CA -3.518 54.553 58.000 0.118 0.000 1.007 301 F CB 0.899 39.969 39.000 0.116 0.000 1.194 301 F HN -0.900 7.718 8.300 0.199 -0.198 0.443 302 P HA -0.086 nan 4.420 nan 0.000 0.222 302 P C -0.787 176.576 177.300 0.106 0.000 1.147 302 P CA 1.304 64.460 63.100 0.094 0.000 0.790 302 P CB 0.182 31.912 31.700 0.050 0.000 0.780 303 T N -2.166 112.473 114.554 0.142 0.000 2.665 303 T HA 0.136 nan 4.350 nan 0.000 0.303 303 T C -1.832 172.922 174.700 0.090 0.000 1.334 303 T CA -1.340 60.818 62.100 0.096 0.000 1.011 303 T CB 2.595 71.504 68.868 0.068 0.000 1.573 303 T HN -0.680 7.645 8.240 0.202 0.036 0.492 304 S N 0.532 116.254 115.700 0.037 0.000 2.568 304 S HA 0.008 nan 4.470 nan 0.000 0.282 304 S C 1.223 175.828 174.600 0.009 0.000 1.338 304 S CA 0.180 58.375 58.200 -0.008 0.000 1.045 304 S CB 0.656 63.848 63.200 -0.013 0.000 0.873 304 S HN 0.174 8.503 8.310 0.031 0.000 0.516 305 L N 4.073 125.265 121.223 -0.053 0.000 2.083 305 L HA -0.232 nan 4.340 nan 0.000 0.209 305 L C 2.177 179.082 176.870 0.058 0.000 1.083 305 L CA 3.225 58.057 54.840 -0.014 0.000 0.752 305 L CB -0.941 41.047 42.059 -0.119 0.000 0.899 305 L HN 0.492 8.648 8.230 -0.124 0.000 0.433 306 E N -1.466 118.760 120.200 0.043 0.000 2.150 306 E HA -0.249 nan 4.350 nan 0.000 0.193 306 E C 2.564 179.225 176.600 0.102 0.000 0.985 306 E CA 3.298 59.753 56.400 0.092 0.000 0.814 306 E CB -0.954 28.791 29.700 0.075 0.000 0.752 306 E HN 0.365 8.725 8.360 0.002 0.000 0.466 307 S N 0.368 116.113 115.700 0.075 0.000 2.348 307 S HA -0.257 nan 4.470 nan 0.000 0.221 307 S C 2.391 177.048 174.600 0.096 0.000 1.033 307 S CA 3.278 61.521 58.200 0.072 0.000 1.010 307 S CB -0.380 62.850 63.200 0.051 0.000 0.891 307 S HN -0.624 7.710 8.310 0.054 0.008 0.442 308 M N 2.629 122.302 119.600 0.121 0.000 2.073 308 M HA -0.459 nan 4.480 nan 0.000 0.258 308 M C 2.132 178.602 176.300 0.284 0.000 1.070 308 M CA 4.322 59.727 55.300 0.176 0.000 1.103 308 M CB 0.079 32.810 32.600 0.219 0.000 1.321 308 M HN -0.478 7.877 8.290 0.109 0.000 0.405 309 L N -2.082 119.305 121.223 0.273 0.000 2.042 309 L HA -0.485 nan 4.340 nan 0.000 0.210 309 L C 2.417 179.488 176.870 0.335 0.000 1.076 309 L CA 3.085 58.106 54.840 0.301 0.000 0.749 309 L CB -0.659 41.490 42.059 0.149 0.000 0.893 309 L HN 0.367 8.613 8.230 0.206 0.107 0.432 310 N N -1.613 117.215 118.700 0.213 0.000 2.084 310 N HA -0.229 nan 4.740 nan 0.000 0.190 310 N C 1.239 176.852 175.510 0.171 0.000 1.030 310 N CA 2.661 55.824 53.050 0.188 0.000 0.849 310 N CB 0.454 39.017 38.487 0.127 0.000 1.012 310 N HN -0.092 8.201 8.380 0.176 0.192 0.423 311 S N -3.129 112.598 115.700 0.044 0.000 2.679 311 S HA 0.089 nan 4.470 nan 0.000 0.233 311 S C 0.756 175.041 174.600 -0.525 0.000 0.951 311 S CA -0.377 57.743 58.200 -0.134 0.000 0.973 311 S CB 0.041 63.186 63.200 -0.093 0.000 0.778 311 S HN -0.282 8.070 8.310 0.071 0.000 0.477 312 G N 1.672 110.020 108.800 -0.753 0.000 2.296 312 G HA2 -0.433 nan 3.960 nan 0.000 0.282 312 G HA3 -0.433 nan 3.960 nan 0.000 0.282 312 G C -0.184 173.900 174.900 -1.361 0.000 1.014 312 G CA 1.059 45.102 45.100 -1.762 0.000 0.812 312 G HN -0.433 7.662 8.290 -0.180 0.087 0.508 313 N N 1.888 120.237 118.700 -0.585 0.000 3.178 313 N HA -0.039 nan 4.740 nan 0.000 0.300 313 N C -1.719 173.758 175.510 -0.054 0.000 1.242 313 N CA -1.238 51.635 53.050 -0.296 0.000 1.192 313 N CB -1.109 37.327 38.487 -0.086 0.000 1.463 313 N HN -0.411 7.777 8.380 -0.272 0.029 0.539 314 F N -3.145 116.779 119.950 -0.042 0.000 2.719 314 F HA 0.198 nan 4.527 nan 0.000 0.309 314 F C -2.108 173.738 175.800 0.076 0.000 1.138 314 F CA -2.153 55.891 58.000 0.074 0.000 0.943 314 F CB 1.501 40.618 39.000 0.196 0.000 1.304 314 F HN -0.322 7.393 8.300 -0.887 0.052 0.445 315 K N 1.279 121.904 120.400 0.375 0.000 2.437 315 K HA -0.269 nan 4.320 nan 0.000 0.277 315 K C -0.556 176.281 176.600 0.396 0.000 1.073 315 K CA 0.964 57.402 56.287 0.253 0.000 1.105 315 K CB 0.717 33.339 32.500 0.203 0.000 0.881 315 K HN 0.023 8.514 8.250 0.401 0.000 0.475 316 K N 5.736 126.247 120.400 0.185 0.000 2.257 316 K HA 0.237 nan 4.320 nan 0.000 0.270 316 K C -0.982 175.725 176.600 0.178 0.000 1.098 316 K CA -0.007 56.385 56.287 0.175 0.000 0.943 316 K CB 0.205 32.710 32.500 0.009 0.000 1.316 316 K HN -0.007 8.281 8.250 0.063 0.000 0.447 317 T N 4.729 119.470 114.554 0.312 0.000 2.565 317 T HA 0.422 nan 4.350 nan 0.000 0.266 317 T C -2.022 172.867 174.700 0.315 0.000 0.905 317 T CA -2.542 59.698 62.100 0.234 0.000 1.122 317 T CB 2.192 71.181 68.868 0.202 0.000 1.437 317 T HN 0.664 9.225 8.240 0.535 0.000 0.506 318 Q N -0.185 119.783 119.800 0.279 0.000 2.309 318 Q HA 0.884 nan 4.340 nan 0.000 0.264 318 Q C -0.882 175.439 176.000 0.535 0.000 1.008 318 Q CA -1.102 54.930 55.803 0.382 0.000 0.853 318 Q CB 2.450 31.375 28.738 0.312 0.000 1.314 318 Q HN 0.308 8.697 8.270 0.197 0.000 0.448 319 I N -3.534 117.316 120.570 0.467 0.000 2.689 319 I HA 0.902 nan 4.170 nan 0.000 0.299 319 I C -2.311 173.785 176.117 -0.035 0.000 1.059 319 I CA -2.122 59.330 61.300 0.253 0.000 1.055 319 I CB 3.710 41.718 38.000 0.013 0.000 1.243 319 I HN 0.602 9.062 8.210 0.417 0.000 0.425 320 L N 3.784 124.748 121.223 -0.432 0.000 2.318 320 L HA 0.773 nan 4.340 nan 0.000 0.277 320 L C -2.053 174.696 176.870 -0.202 0.000 1.008 320 L CA -1.108 53.362 54.840 -0.616 0.000 0.846 320 L CB 1.246 42.419 42.059 -1.476 0.000 1.220 320 L HN 0.520 8.554 8.230 -0.327 0.000 0.423 321 L N 1.202 122.421 121.223 -0.008 0.000 2.362 321 L HA 0.989 nan 4.340 nan 0.000 0.271 321 L C -1.828 174.980 176.870 -0.104 0.000 1.002 321 L CA -2.422 52.437 54.840 0.031 0.000 0.818 321 L CB 2.951 45.001 42.059 -0.016 0.000 1.298 321 L HN 0.749 8.990 8.230 0.019 0.000 0.420 322 G N -0.447 108.147 108.800 -0.343 0.000 2.766 322 G HA2 0.653 nan 3.960 nan 0.000 0.288 322 G HA3 0.653 nan 3.960 nan 0.000 0.288 322 G C -3.445 171.149 174.900 -0.511 0.000 1.408 322 G CA -1.161 43.177 45.100 -1.270 0.000 0.852 322 G HN 0.337 8.605 8.290 -0.038 0.000 0.487 323 V N -1.795 117.884 119.914 -0.391 0.000 2.711 323 V HA 0.460 nan 4.120 nan 0.000 0.304 323 V C -1.526 174.646 176.094 0.129 0.000 1.097 323 V CA -0.759 61.543 62.300 0.004 0.000 0.906 323 V CB 4.140 35.996 31.823 0.055 0.000 1.015 323 V HN -0.353 7.478 8.190 -0.598 0.000 0.427 324 N N 7.305 126.097 118.700 0.154 0.000 2.399 324 N HA 0.162 nan 4.740 nan 0.000 0.250 324 N C -0.488 174.991 175.510 -0.052 0.000 1.272 324 N CA 1.068 54.191 53.050 0.121 0.000 0.928 324 N CB 1.038 39.647 38.487 0.203 0.000 1.158 324 N HN 0.241 8.896 8.380 0.155 -0.182 0.463 325 K N -0.035 120.228 120.400 -0.228 0.000 2.025 325 K HA -0.232 nan 4.320 nan 0.000 0.207 325 K C 0.636 177.268 176.600 0.053 0.000 1.049 325 K CA 2.539 58.693 56.287 -0.220 0.000 0.933 325 K CB 0.507 32.853 32.500 -0.256 0.000 0.714 325 K HN -0.029 8.104 8.250 -0.196 0.000 0.438 326 D N 0.671 121.108 120.400 0.062 0.000 2.485 326 D HA 0.249 nan 4.640 nan 0.000 0.256 326 D C -0.885 175.499 176.300 0.140 0.000 1.141 326 D CA -0.461 53.598 54.000 0.098 0.000 0.942 326 D CB -0.303 40.528 40.800 0.051 0.000 1.003 326 D HN -0.162 8.231 8.370 0.039 0.000 0.507 327 E N 2.443 122.756 120.200 0.187 0.000 2.216 327 E HA -0.081 nan 4.350 nan 0.000 0.192 327 E C 0.929 177.704 176.600 0.292 0.000 0.988 327 E CA 1.927 58.487 56.400 0.267 0.000 0.834 327 E CB 0.051 29.901 29.700 0.250 0.000 0.772 327 E HN -0.120 8.345 8.360 0.176 0.000 0.479 328 G N -1.314 107.617 108.800 0.217 0.000 2.395 328 G HA2 -0.132 nan 3.960 nan 0.000 0.214 328 G HA3 -0.132 nan 3.960 nan 0.000 0.214 328 G C 0.872 175.864 174.900 0.154 0.000 1.177 328 G CA 0.551 45.791 45.100 0.234 0.000 0.794 328 G HN -0.241 8.121 8.290 0.170 0.030 0.532 329 S N 3.152 118.873 115.700 0.035 0.000 2.369 329 S HA -0.536 nan 4.470 nan 0.000 0.299 329 S C 1.585 176.060 174.600 -0.209 0.000 1.123 329 S CA 3.746 61.879 58.200 -0.113 0.000 1.430 329 S CB -0.795 62.254 63.200 -0.250 0.000 1.297 329 S HN -0.275 8.300 8.310 0.062 -0.228 0.463 330 F N 2.215 121.856 119.950 -0.515 0.000 2.082 330 F HA -0.407 nan 4.527 nan 0.000 0.298 330 F C 1.027 176.393 175.800 -0.722 0.000 1.091 330 F CA 2.977 60.525 58.000 -0.753 0.000 1.230 330 F CB 0.096 38.423 39.000 -1.121 0.000 0.983 330 F HN 0.029 8.225 8.300 -0.175 0.000 0.485 331 F N -5.451 114.439 119.950 -0.100 0.000 2.206 331 F HA -0.313 nan 4.527 nan 0.000 0.298 331 F C 1.719 177.407 175.800 -0.186 0.000 1.090 331 F CA 3.615 61.492 58.000 -0.206 0.000 1.323 331 F CB -0.645 38.166 39.000 -0.315 0.000 1.028 331 F HN -0.325 7.699 8.300 -0.430 0.018 0.492 332 L N -1.026 120.104 121.223 -0.156 0.000 2.005 332 L HA -0.319 nan 4.340 nan 0.000 0.207 332 L C 1.843 178.551 176.870 -0.269 0.000 1.072 332 L CA 2.992 57.562 54.840 -0.450 0.000 0.744 332 L CB -0.228 41.213 42.059 -1.030 0.000 0.895 332 L HN -0.459 7.610 8.230 -0.126 0.086 0.433 333 L N -4.291 116.891 121.223 -0.069 0.000 2.651 333 L HA -0.349 nan 4.340 nan 0.000 0.236 333 L C -0.158 176.720 176.870 0.013 0.000 1.173 333 L CA 2.772 57.723 54.840 0.186 0.000 0.843 333 L CB -0.886 41.294 42.059 0.202 0.000 0.964 333 L HN -0.112 8.044 8.230 -0.122 0.000 0.454 334 Y N -4.027 116.179 120.300 -0.157 0.000 2.607 334 Y HA 0.051 nan 4.550 nan 0.000 0.276 334 Y C 0.988 176.815 175.900 -0.121 0.000 1.117 334 Y CA 1.029 59.032 58.100 -0.163 0.000 1.273 334 Y CB 2.781 41.025 38.460 -0.361 0.000 1.282 334 Y HN -0.811 7.271 8.280 0.021 0.210 0.514 335 G N -4.379 104.440 108.800 0.032 0.000 3.342 335 G HA2 0.106 nan 3.960 nan 0.000 0.252 335 G HA3 0.106 nan 3.960 nan 0.000 0.252 335 G C -1.589 173.317 174.900 0.011 0.000 1.011 335 G CA -0.009 45.083 45.100 -0.013 0.000 0.869 335 G HN -0.551 7.751 8.290 0.021 0.000 0.514 336 A N 1.952 124.810 122.820 0.062 0.000 2.317 336 A HA 0.501 nan 4.320 nan 0.000 0.327 336 A C -2.580 175.173 177.584 0.282 0.000 1.178 336 A CA -2.912 49.222 52.037 0.161 0.000 0.817 336 A CB 0.343 19.428 19.000 0.141 0.000 1.189 336 A HN 0.215 8.309 8.150 0.059 0.091 0.489 337 P HA 0.089 nan 4.420 nan 0.000 0.276 337 P C -0.681 176.622 177.300 0.005 0.000 1.243 337 P CA 0.458 63.604 63.100 0.076 0.000 0.768 337 P CB -0.138 31.578 31.700 0.025 0.000 0.856 338 G N 2.432 111.168 108.800 -0.105 0.000 2.699 338 G HA2 -0.230 nan 3.960 nan 0.000 0.198 338 G HA3 -0.230 nan 3.960 nan 0.000 0.198 338 G C -1.167 173.405 174.900 -0.547 0.000 1.033 338 G CA -0.159 44.710 45.100 -0.385 0.000 0.728 338 G HN 0.251 8.516 8.290 -0.041 0.000 0.484 339 F N 3.012 122.894 119.950 -0.113 0.000 2.410 339 F HA 0.333 nan 4.527 nan 0.000 0.348 339 F C -0.511 175.265 175.800 -0.039 0.000 1.106 339 F CA -0.289 57.617 58.000 -0.156 0.000 1.163 339 F CB 0.497 39.505 39.000 0.012 0.000 1.129 339 F HN -0.777 7.551 8.300 0.143 0.058 0.516 340 S N 2.040 117.788 115.700 0.079 0.000 2.569 340 S HA 0.279 nan 4.470 nan 0.000 0.280 340 S C -0.184 174.593 174.600 0.295 0.000 1.111 340 S CA -1.627 56.660 58.200 0.147 0.000 0.887 340 S CB 3.141 66.352 63.200 0.018 0.000 1.095 340 S HN 0.751 9.005 8.310 -0.093 0.000 0.476 341 K N 3.638 124.213 120.400 0.292 0.000 2.025 341 K HA -0.193 nan 4.320 nan 0.000 0.207 341 K C 0.869 177.579 176.600 0.183 0.000 1.049 341 K CA 3.450 59.877 56.287 0.235 0.000 0.933 341 K CB 0.050 32.523 32.500 -0.044 0.000 0.714 341 K HN 0.566 8.990 8.250 0.290 0.000 0.438 342 D N -0.817 119.632 120.400 0.083 0.000 2.324 342 D HA 0.018 nan 4.640 nan 0.000 0.235 342 D C -0.317 176.005 176.300 0.035 0.000 1.095 342 D CA 1.017 55.038 54.000 0.035 0.000 0.871 342 D CB -0.574 40.220 40.800 -0.011 0.000 0.906 342 D HN 0.219 8.637 8.370 0.080 0.000 0.522 343 S N -1.671 114.052 115.700 0.038 0.000 2.661 343 S HA 0.220 nan 4.470 nan 0.000 0.285 343 S C -0.705 173.792 174.600 -0.172 0.000 1.138 343 S CA -1.058 57.108 58.200 -0.058 0.000 0.855 343 S CB 2.927 66.059 63.200 -0.113 0.000 1.136 343 S HN -0.795 7.504 8.310 0.101 0.072 0.484 344 E N -0.949 119.132 120.200 -0.198 0.000 2.515 344 E HA -0.096 nan 4.350 nan 0.000 0.201 344 E C 0.099 176.360 176.600 -0.564 0.000 1.071 344 E CA 0.831 57.066 56.400 -0.274 0.000 0.880 344 E CB -0.314 29.306 29.700 -0.133 0.000 0.828 344 E HN 0.343 8.621 8.360 -0.138 0.000 0.540 345 S N -1.932 113.383 115.700 -0.642 0.000 3.410 345 S HA -0.342 nan 4.470 nan 0.000 0.369 345 S C -1.421 172.817 174.600 -0.605 0.000 0.961 345 S CA 1.231 58.966 58.200 -0.775 0.000 1.248 345 S CB -0.826 61.590 63.200 -1.307 0.000 0.914 345 S HN -0.541 7.380 8.310 -0.487 0.097 0.497 346 K N -1.731 118.438 120.400 -0.385 0.000 2.350 346 K HA -0.051 nan 4.320 nan 0.000 0.279 346 K C -0.632 175.791 176.600 -0.294 0.000 1.027 346 K CA -0.751 55.380 56.287 -0.261 0.000 0.969 346 K CB 0.442 32.835 32.500 -0.178 0.000 0.954 346 K HN -0.533 7.511 8.250 -0.341 0.001 0.474 347 I N 4.848 125.276 120.570 -0.237 0.000 2.404 347 I HA 0.082 nan 4.170 nan 0.000 0.293 347 I C -0.571 175.474 176.117 -0.120 0.000 0.992 347 I CA -3.023 58.143 61.300 -0.224 0.000 1.149 347 I CB 0.984 38.858 38.000 -0.209 0.000 1.315 347 I HN 0.297 8.290 8.210 -0.171 0.113 0.446 348 S N 4.604 120.239 115.700 -0.107 0.000 2.593 348 S HA 0.008 nan 4.470 nan 0.000 0.269 348 S C 0.972 175.562 174.600 -0.016 0.000 1.334 348 S CA -0.377 57.782 58.200 -0.068 0.000 1.015 348 S CB 1.688 64.851 63.200 -0.062 0.000 0.912 348 S HN 0.428 8.653 8.310 -0.141 0.000 0.541 349 R N 1.482 121.963 120.500 -0.031 0.000 2.339 349 R HA -0.158 nan 4.340 nan 0.000 0.199 349 R C 1.753 178.104 176.300 0.086 0.000 1.018 349 R CA 3.080 59.180 56.100 0.001 0.000 1.036 349 R CB -0.155 30.089 30.300 -0.095 0.000 0.899 349 R HN 0.486 8.722 8.270 -0.056 0.000 0.473 350 E N -0.324 119.904 120.200 0.047 0.000 2.190 350 E HA -0.076 nan 4.350 nan 0.000 0.191 350 E C 1.382 178.016 176.600 0.057 0.000 0.978 350 E CA 2.870 59.298 56.400 0.046 0.000 0.839 350 E CB -0.444 29.263 29.700 0.012 0.000 0.787 350 E HN 0.422 8.716 8.360 0.014 0.074 0.473 351 D N 0.188 120.619 120.400 0.051 0.000 2.201 351 D HA -0.071 nan 4.640 nan 0.000 0.209 351 D C 2.007 178.369 176.300 0.103 0.000 0.961 351 D CA 2.747 56.770 54.000 0.039 0.000 0.861 351 D CB 0.052 40.832 40.800 -0.034 0.000 0.997 351 D HN -0.657 7.629 8.370 0.036 0.106 0.486 352 F N 2.243 122.185 119.950 -0.014 0.000 2.126 352 F HA -0.395 nan 4.527 nan 0.000 0.299 352 F C 1.141 176.957 175.800 0.027 0.000 1.096 352 F CA 3.734 61.746 58.000 0.020 0.000 1.255 352 F CB 0.262 39.258 39.000 -0.007 0.000 0.997 352 F HN 0.184 8.627 8.300 0.238 0.000 0.479 353 M N -3.619 116.115 119.600 0.222 0.000 2.229 353 M HA -0.279 nan 4.480 nan 0.000 0.264 353 M C 2.032 178.312 176.300 -0.034 0.000 1.063 353 M CA 1.650 57.004 55.300 0.091 0.000 1.114 353 M CB -1.187 31.512 32.600 0.164 0.000 1.387 353 M HN -0.489 7.990 8.290 0.321 0.003 0.420 354 S N -1.491 114.200 115.700 -0.015 0.000 2.478 354 S HA -0.072 nan 4.470 nan 0.000 0.222 354 S C 2.250 176.815 174.600 -0.058 0.000 1.008 354 S CA 2.665 60.849 58.200 -0.027 0.000 0.928 354 S CB 0.021 63.221 63.200 -0.000 0.000 0.781 354 S HN -0.630 7.571 8.310 0.022 0.123 0.518 355 G N 2.776 111.530 108.800 -0.077 0.000 2.453 355 G HA2 -0.238 nan 3.960 nan 0.000 0.215 355 G HA3 -0.238 nan 3.960 nan 0.000 0.215 355 G C 0.693 175.483 174.900 -0.185 0.000 1.201 355 G CA 2.194 47.245 45.100 -0.082 0.000 0.784 355 G HN 0.104 8.219 8.290 -0.067 0.135 0.545 356 V N -1.259 118.456 119.914 -0.331 0.000 2.720 356 V HA -0.255 nan 4.120 nan 0.000 0.256 356 V C 1.714 177.696 176.094 -0.187 0.000 1.082 356 V CA 2.719 64.843 62.300 -0.295 0.000 1.101 356 V CB -0.948 30.642 31.823 -0.388 0.000 0.693 356 V HN 0.008 7.914 8.190 -0.474 0.000 0.479 357 K N -1.325 118.987 120.400 -0.147 0.000 2.167 357 K HA -0.183 nan 4.320 nan 0.000 0.203 357 K C 1.184 177.698 176.600 -0.144 0.000 1.052 357 K CA 2.497 58.714 56.287 -0.117 0.000 0.956 357 K CB -0.209 32.249 32.500 -0.071 0.000 0.735 357 K HN -0.709 7.307 8.250 -0.143 0.148 0.451 358 L N -2.901 118.240 121.223 -0.136 0.000 2.313 358 L HA -0.081 nan 4.340 nan 0.000 0.214 358 L C 1.845 178.601 176.870 -0.189 0.000 1.119 358 L CA 2.003 56.755 54.840 -0.146 0.000 0.809 358 L CB 0.279 42.280 42.059 -0.096 0.000 0.933 358 L HN -0.362 7.678 8.230 -0.122 0.118 0.449 359 S N -0.579 115.005 115.700 -0.193 0.000 2.406 359 S HA -0.107 nan 4.470 nan 0.000 0.224 359 S C 0.012 174.397 174.600 -0.358 0.000 1.030 359 S CA 3.735 61.809 58.200 -0.210 0.000 0.958 359 S CB 0.852 63.945 63.200 -0.178 0.000 0.811 359 S HN -0.473 7.600 8.310 -0.181 0.128 0.489 360 V N 0.462 120.136 119.914 -0.399 0.000 2.233 360 V HA 0.478 nan 4.120 nan 0.000 0.261 360 V C -1.912 173.823 176.094 -0.597 0.000 1.076 360 V CA -3.271 58.648 62.300 -0.635 0.000 1.001 360 V CB -1.292 30.292 31.823 -0.398 0.000 1.206 360 V HN -0.826 7.187 8.190 -0.295 0.000 0.468 361 P HA -0.113 nan 4.420 nan 0.000 0.229 361 P C -0.941 176.316 177.300 -0.071 0.000 1.150 361 P CA 1.781 64.667 63.100 -0.357 0.000 0.765 361 P CB 0.020 31.264 31.700 -0.759 0.000 0.783 362 H N -7.523 111.532 119.070 -0.024 0.000 2.654 362 H HA 0.097 nan 4.556 nan 0.000 0.264 362 H C 0.010 175.350 175.328 0.021 0.000 0.954 362 H CA -1.115 54.962 56.048 0.049 0.000 1.199 362 H CB -0.365 29.436 29.762 0.065 0.000 1.446 362 H HN -0.384 7.203 8.280 -0.980 0.105 0.516 363 A N 2.441 125.198 122.820 -0.106 0.000 2.540 363 A HA -0.191 nan 4.320 nan 0.000 0.239 363 A C -0.956 176.619 177.584 -0.014 0.000 1.061 363 A CA 0.547 52.547 52.037 -0.061 0.000 0.758 363 A CB 0.102 19.034 19.000 -0.113 0.000 0.991 363 A HN -0.180 7.615 8.150 -0.310 0.169 0.502 364 N N 3.396 122.098 118.700 0.002 0.000 2.418 364 N HA 0.017 nan 4.740 nan 0.000 0.283 364 N C 0.945 176.460 175.510 0.008 0.000 1.267 364 N CA -0.836 52.220 53.050 0.010 0.000 0.975 364 N CB 0.977 39.471 38.487 0.011 0.000 1.167 364 N HN 0.058 8.438 8.380 -0.000 0.000 0.581 365 D N -0.979 119.431 120.400 0.015 0.000 2.106 365 D HA -0.328 nan 4.640 nan 0.000 0.191 365 D C 2.168 178.487 176.300 0.032 0.000 0.997 365 D CA 3.038 57.052 54.000 0.024 0.000 0.834 365 D CB -0.392 40.423 40.800 0.025 0.000 0.956 365 D HN 0.458 8.838 8.370 0.016 0.000 0.448 366 L N 0.990 122.229 121.223 0.028 0.000 2.127 366 L HA -0.230 nan 4.340 nan 0.000 0.211 366 L C 2.180 179.076 176.870 0.044 0.000 1.089 366 L CA 2.258 57.121 54.840 0.038 0.000 0.757 366 L CB -0.297 41.777 42.059 0.025 0.000 0.899 366 L HN -0.584 7.714 8.230 0.020 -0.056 0.434 367 G N -1.207 107.604 108.800 0.020 0.000 2.433 367 G HA2 -0.359 nan 3.960 nan 0.000 0.216 367 G HA3 -0.359 nan 3.960 nan 0.000 0.216 367 G C 1.001 175.932 174.900 0.051 0.000 1.186 367 G CA 2.216 47.325 45.100 0.015 0.000 0.779 367 G HN 0.471 8.955 8.290 0.011 -0.188 0.543 368 L N 1.241 122.484 121.223 0.033 0.000 2.042 368 L HA -0.521 nan 4.340 nan 0.000 0.210 368 L C 2.121 179.043 176.870 0.088 0.000 1.076 368 L CA 3.319 58.182 54.840 0.039 0.000 0.749 368 L CB -0.421 41.650 42.059 0.020 0.000 0.893 368 L HN 0.315 8.486 8.230 0.019 0.071 0.432 369 D N -0.777 119.680 120.400 0.095 0.000 2.117 369 D HA -0.303 nan 4.640 nan 0.000 0.197 369 D C 2.289 178.677 176.300 0.147 0.000 0.987 369 D CA 3.665 57.739 54.000 0.123 0.000 0.829 369 D CB -0.424 40.435 40.800 0.099 0.000 0.961 369 D HN 0.280 8.490 8.370 0.075 0.205 0.460 370 A N -0.603 122.314 122.820 0.163 0.000 1.930 370 A HA -0.164 nan 4.320 nan 0.000 0.217 370 A C 2.264 179.904 177.584 0.093 0.000 1.175 370 A CA 3.150 55.319 52.037 0.220 0.000 0.627 370 A CB -0.437 18.813 19.000 0.417 0.000 0.815 370 A HN 0.034 8.191 8.150 0.147 0.081 0.443 371 V N -1.694 118.302 119.914 0.136 0.000 2.332 371 V HA -0.543 nan 4.120 nan 0.000 0.248 371 V C 2.272 178.424 176.094 0.098 0.000 1.055 371 V CA 4.820 67.140 62.300 0.035 0.000 1.038 371 V CB -1.184 30.702 31.823 0.104 0.000 0.651 371 V HN 0.127 8.422 8.190 0.176 0.000 0.450 372 T N 2.615 117.273 114.554 0.173 0.000 2.777 372 T HA -0.279 nan 4.350 nan 0.000 0.266 372 T C 1.591 176.448 174.700 0.261 0.000 1.040 372 T CA 4.552 66.826 62.100 0.289 0.000 1.141 372 T CB -0.491 68.576 68.868 0.333 0.000 0.868 372 T HN -0.244 8.089 8.240 0.156 0.000 0.444 373 L N 0.386 121.756 121.223 0.246 0.000 2.079 373 L HA -0.324 nan 4.340 nan 0.000 0.210 373 L C 1.803 178.748 176.870 0.124 0.000 1.081 373 L CA 3.382 58.410 54.840 0.313 0.000 0.752 373 L CB -0.368 41.776 42.059 0.140 0.000 0.896 373 L HN -0.270 8.075 8.230 0.193 0.000 0.433 374 Q N -1.897 117.806 119.800 -0.162 0.000 2.137 374 Q HA -0.242 nan 4.340 nan 0.000 0.198 374 Q C 2.164 177.862 176.000 -0.502 0.000 0.960 374 Q CA 2.724 58.247 55.803 -0.466 0.000 0.847 374 Q CB 0.089 28.212 28.738 -1.025 0.000 0.915 374 Q HN -0.372 7.688 8.270 -0.185 0.098 0.448 375 Y N -3.889 116.364 120.300 -0.078 0.000 2.482 375 Y HA 0.037 nan 4.550 nan 0.000 0.270 375 Y C 0.079 175.957 175.900 -0.037 0.000 1.152 375 Y CA 0.758 58.866 58.100 0.013 0.000 1.292 375 Y CB 0.778 39.314 38.460 0.125 0.000 1.070 375 Y HN -0.372 7.877 8.280 0.080 0.080 0.528 376 T N -1.425 113.061 114.554 -0.112 0.000 2.829 376 T HA 0.063 nan 4.350 nan 0.000 0.282 376 T C -0.670 173.592 174.700 -0.731 0.000 0.990 376 T CA -1.715 60.082 62.100 -0.505 0.000 1.028 376 T CB 1.535 69.862 68.868 -0.902 0.000 0.951 376 T HN -0.509 7.691 8.240 -0.066 0.000 0.460 377 D N 4.407 124.471 120.400 -0.560 0.000 2.336 377 D HA 0.011 nan 4.640 nan 0.000 0.249 377 D C 0.588 176.587 176.300 -0.502 0.000 1.213 377 D CA -0.941 52.825 54.000 -0.390 0.000 0.870 377 D CB 0.135 40.810 40.800 -0.207 0.000 1.076 377 D HN 0.246 8.333 8.370 -0.471 0.000 0.483 378 W N 5.777 127.042 121.300 -0.057 0.000 2.678 378 W HA -0.037 nan 4.660 nan 0.000 0.256 378 W C 1.383 177.874 176.519 -0.046 0.000 1.280 378 W CA 1.159 58.471 57.345 -0.054 0.000 1.345 378 W CB 0.309 29.740 29.460 -0.048 0.000 1.118 378 W HN 0.305 8.430 8.180 -0.092 0.000 0.629 379 M N -3.447 116.208 119.600 0.091 0.000 2.628 379 M HA -0.035 nan 4.480 nan 0.000 0.232 379 M C -0.255 176.042 176.300 -0.004 0.000 1.128 379 M CA 0.106 55.435 55.300 0.049 0.000 1.040 379 M CB -0.684 31.935 32.600 0.032 0.000 1.608 379 M HN -0.542 8.008 8.290 0.059 -0.225 0.507 380 D N -0.692 119.676 120.400 -0.053 0.000 3.888 380 D HA 0.159 nan 4.640 nan 0.000 0.271 380 D C -0.730 175.471 176.300 -0.164 0.000 1.399 380 D CA 0.223 54.171 54.000 -0.087 0.000 0.775 380 D CB 0.666 41.415 40.800 -0.086 0.000 1.356 380 D HN -0.583 7.543 8.370 -0.080 0.196 0.753 381 D N 0.223 120.530 120.400 -0.155 0.000 2.472 381 D HA -0.408 nan 4.640 nan 0.000 0.194 381 D C -0.343 175.790 176.300 -0.278 0.000 1.023 381 D CA 2.759 56.615 54.000 -0.240 0.000 0.869 381 D CB 0.632 41.381 40.800 -0.085 0.000 0.997 381 D HN 0.028 8.356 8.370 -0.070 0.000 0.463 382 N N -1.553 117.040 118.700 -0.178 0.000 2.501 382 N HA 0.054 nan 4.740 nan 0.000 0.245 382 N C -2.067 173.361 175.510 -0.137 0.000 0.974 382 N CA -0.503 52.444 53.050 -0.172 0.000 0.941 382 N CB -0.273 38.144 38.487 -0.117 0.000 1.122 382 N HN -0.220 8.085 8.380 -0.125 0.000 0.507 383 N N 7.217 125.826 118.700 -0.150 0.000 2.480 383 N HA 0.159 nan 4.740 nan 0.000 0.289 383 N C 0.301 175.750 175.510 -0.101 0.000 1.073 383 N CA -0.708 52.278 53.050 -0.108 0.000 0.885 383 N CB 2.763 41.191 38.487 -0.097 0.000 1.421 383 N HN -0.701 7.734 8.380 -0.194 -0.171 0.503 384 G N 6.775 115.521 108.800 -0.090 0.000 2.529 384 G HA2 -0.327 nan 3.960 nan 0.000 0.219 384 G HA3 -0.327 nan 3.960 nan 0.000 0.219 384 G C 1.813 176.667 174.900 -0.077 0.000 1.177 384 G CA 2.264 47.305 45.100 -0.098 0.000 0.773 384 G HN 0.713 8.952 8.290 -0.084 0.000 0.573 385 I N 2.167 122.707 120.570 -0.051 0.000 2.090 385 I HA -0.410 nan 4.170 nan 0.000 0.236 385 I C 1.706 177.833 176.117 0.016 0.000 1.064 385 I CA 2.004 63.298 61.300 -0.010 0.000 1.324 385 I CB -1.170 36.832 38.000 0.003 0.000 1.044 385 I HN -0.213 8.110 8.210 -0.053 -0.145 0.399 386 K N -0.116 120.277 120.400 -0.010 0.000 2.097 386 K HA -0.431 nan 4.320 nan 0.000 0.214 386 K C 2.716 179.325 176.600 0.015 0.000 1.052 386 K CA 3.179 59.458 56.287 -0.013 0.000 0.932 386 K CB -0.586 31.865 32.500 -0.080 0.000 0.716 386 K HN -0.286 8.240 8.250 -0.029 -0.294 0.455 387 N N -2.627 116.065 118.700 -0.013 0.000 2.354 387 N HA -0.132 nan 4.740 nan 0.000 0.179 387 N C 2.127 177.786 175.510 0.250 0.000 1.021 387 N CA 2.098 55.199 53.050 0.085 0.000 0.887 387 N CB -0.275 38.198 38.487 -0.024 0.000 0.974 387 N HN 0.008 8.344 8.380 -0.057 0.010 0.437 388 R N 1.025 121.618 120.500 0.155 0.000 2.062 388 R HA -0.272 nan 4.340 nan 0.000 0.231 388 R C 1.637 178.137 176.300 0.333 0.000 1.136 388 R CA 3.456 59.700 56.100 0.239 0.000 0.948 388 R CB -0.150 30.206 30.300 0.093 0.000 0.845 388 R HN -0.219 7.985 8.270 0.070 0.108 0.430 389 D N -1.676 118.872 120.400 0.246 0.000 2.097 389 D HA -0.162 nan 4.640 nan 0.000 0.197 389 D C 2.322 178.767 176.300 0.242 0.000 0.984 389 D CA 3.153 57.296 54.000 0.239 0.000 0.826 389 D CB -0.435 40.477 40.800 0.186 0.000 0.973 389 D HN -0.100 8.381 8.370 0.186 0.000 0.460 390 G N -0.833 108.118 108.800 0.251 0.000 2.462 390 G HA2 -0.270 nan 3.960 nan 0.000 0.220 390 G HA3 -0.270 nan 3.960 nan 0.000 0.220 390 G C 1.454 176.516 174.900 0.269 0.000 1.121 390 G CA 1.967 47.256 45.100 0.315 0.000 0.758 390 G HN 0.268 8.578 8.290 0.216 0.110 0.559 391 L N 0.821 122.206 121.223 0.271 0.000 2.131 391 L HA -0.079 nan 4.340 nan 0.000 0.206 391 L C 1.017 177.927 176.870 0.066 0.000 1.087 391 L CA 1.873 56.794 54.840 0.136 0.000 0.767 391 L CB -0.230 41.975 42.059 0.243 0.000 0.917 391 L HN -0.567 7.737 8.230 0.330 0.123 0.441 392 D N 0.245 120.730 120.400 0.141 0.000 2.092 392 D HA -0.451 nan 4.640 nan 0.000 0.193 392 D C 1.867 178.219 176.300 0.087 0.000 0.994 392 D CA 4.402 58.472 54.000 0.117 0.000 0.828 392 D CB -0.098 40.815 40.800 0.189 0.000 0.963 392 D HN -0.424 8.000 8.370 0.223 0.080 0.450 393 D N -0.387 120.080 120.400 0.112 0.000 2.144 393 D HA -0.219 nan 4.640 nan 0.000 0.199 393 D C 2.875 179.128 176.300 -0.078 0.000 0.984 393 D CA 3.217 57.286 54.000 0.116 0.000 0.834 393 D CB -0.384 40.590 40.800 0.291 0.000 0.955 393 D HN -0.161 8.303 8.370 0.156 0.000 0.465 394 I N -0.124 120.279 120.570 -0.279 0.000 2.226 394 I HA -0.483 nan 4.170 nan 0.000 0.245 394 I C 1.828 177.832 176.117 -0.188 0.000 1.100 394 I CA 3.870 64.946 61.300 -0.373 0.000 1.374 394 I CB -0.024 37.774 38.000 -0.335 0.000 1.057 394 I HN -0.625 7.371 8.210 -0.187 0.102 0.413 395 V N -0.787 119.063 119.914 -0.107 0.000 2.244 395 V HA -0.397 nan 4.120 nan 0.000 0.244 395 V C 2.021 178.059 176.094 -0.093 0.000 1.042 395 V CA 4.745 67.008 62.300 -0.062 0.000 1.006 395 V CB -0.956 30.895 31.823 0.046 0.000 0.641 395 V HN -0.069 8.074 8.190 -0.079 0.000 0.446 396 G N -1.669 107.123 108.800 -0.013 0.000 2.514 396 G HA2 -0.449 nan 3.960 nan 0.000 0.217 396 G HA3 -0.449 nan 3.960 nan 0.000 0.217 396 G C 0.758 175.596 174.900 -0.103 0.000 1.198 396 G CA 2.472 47.574 45.100 0.004 0.000 0.780 396 G HN 0.369 8.675 8.290 0.027 0.000 0.565 397 D N 2.003 122.339 120.400 -0.106 0.000 2.116 397 D HA -0.302 nan 4.640 nan 0.000 0.193 397 D C 2.444 178.408 176.300 -0.560 0.000 0.998 397 D CA 3.583 57.471 54.000 -0.187 0.000 0.836 397 D CB -0.330 40.493 40.800 0.038 0.000 0.951 397 D HN -0.197 8.151 8.370 -0.037 0.000 0.449 398 H N -0.869 117.597 119.070 -1.007 0.000 2.502 398 H HA -0.088 nan 4.556 nan 0.000 0.283 398 H C 1.232 176.182 175.328 -0.629 0.000 1.015 398 H CA 2.650 57.972 56.048 -1.210 0.000 1.298 398 H CB 0.387 29.163 29.762 -1.644 0.000 1.411 398 H HN -0.556 7.325 8.280 -0.665 0.000 0.556 399 N N -3.382 114.924 118.700 -0.658 0.000 2.250 399 N HA 0.111 nan 4.740 nan 0.000 0.190 399 N C -0.365 174.921 175.510 -0.373 0.000 1.116 399 N CA 1.746 54.379 53.050 -0.694 0.000 0.881 399 N CB 2.738 40.477 38.487 -1.246 0.000 1.006 399 N HN -0.286 7.670 8.380 -0.487 0.131 0.491 400 V N 0.150 119.918 119.914 -0.244 0.000 3.629 400 V HA 0.150 nan 4.120 nan 0.000 0.194 400 V C 0.751 176.808 176.094 -0.061 0.000 1.343 400 V CA 2.548 64.814 62.300 -0.056 0.000 1.292 400 V CB 1.823 33.693 31.823 0.078 0.000 1.287 400 V HN 0.332 8.354 8.190 -0.280 0.000 0.554 401 I N 0.582 121.123 120.570 -0.049 0.000 2.076 401 I HA -0.578 nan 4.170 nan 0.000 0.237 401 I C 1.130 177.223 176.117 -0.041 0.000 1.059 401 I CA 5.321 66.608 61.300 -0.022 0.000 1.317 401 I CB -0.238 37.780 38.000 0.030 0.000 1.037 401 I HN -0.350 7.829 8.210 -0.051 0.000 0.398 402 c N -1.214 117.347 118.600 -0.065 0.000 2.413 402 c HA -0.162 nan 4.570 nan 0.000 0.277 402 c C -0.214 173.864 174.090 -0.020 0.000 1.265 402 c CA 5.168 61.490 56.329 -0.011 0.000 1.752 402 c CB -3.233 39.302 42.510 0.041 0.000 1.998 402 c HN 0.048 8.093 8.230 -0.118 0.113 0.489 403 P HA -0.188 nan 4.420 nan 0.000 0.217 403 P C 0.889 178.188 177.300 -0.002 0.000 1.150 403 P CA 2.883 65.928 63.100 -0.091 0.000 0.832 403 P CB -0.343 31.220 31.700 -0.230 0.000 0.787 404 L N -1.454 119.745 121.223 -0.039 0.000 1.976 404 L HA -0.374 nan 4.340 nan 0.000 0.209 404 L C 1.766 178.654 176.870 0.030 0.000 1.071 404 L CA 3.761 58.589 54.840 -0.020 0.000 0.746 404 L CB 0.056 42.081 42.059 -0.057 0.000 0.890 404 L HN -0.466 7.722 8.230 -0.070 0.000 0.432 405 M N -3.783 115.813 119.600 -0.007 0.000 2.192 405 M HA -0.471 nan 4.480 nan 0.000 0.259 405 M C 2.676 179.008 176.300 0.054 0.000 1.071 405 M CA 2.349 57.635 55.300 -0.024 0.000 1.082 405 M CB -1.884 30.722 32.600 0.010 0.000 1.373 405 M HN 0.052 8.331 8.290 -0.018 0.000 0.408 406 H N 1.307 120.389 119.070 0.020 0.000 2.333 406 H HA -0.244 nan 4.556 nan 0.000 0.302 406 H C 1.776 177.145 175.328 0.069 0.000 1.075 406 H CA 4.387 60.464 56.048 0.047 0.000 1.348 406 H CB 0.297 30.083 29.762 0.041 0.000 1.393 406 H HN -0.336 7.936 8.280 0.189 0.122 0.509 407 F N -0.006 119.892 119.950 -0.088 0.000 2.171 407 F HA -0.406 nan 4.527 nan 0.000 0.300 407 F C 1.721 177.428 175.800 -0.155 0.000 1.090 407 F CA 3.726 61.631 58.000 -0.158 0.000 1.293 407 F CB -0.044 38.869 39.000 -0.145 0.000 1.013 407 F HN -0.173 8.231 8.300 0.291 0.071 0.486 408 V N 0.100 119.956 119.914 -0.098 0.000 2.237 408 V HA -0.597 nan 4.120 nan 0.000 0.245 408 V C 1.848 177.818 176.094 -0.205 0.000 1.046 408 V CA 5.089 67.229 62.300 -0.266 0.000 1.007 408 V CB -0.987 30.555 31.823 -0.468 0.000 0.638 408 V HN 0.611 8.825 8.190 0.059 0.012 0.445 409 N N -1.553 117.076 118.700 -0.117 0.000 2.104 409 N HA -0.321 nan 4.740 nan 0.000 0.190 409 N C 2.478 177.959 175.510 -0.049 0.000 1.024 409 N CA 3.363 56.436 53.050 0.038 0.000 0.853 409 N CB -0.380 38.156 38.487 0.081 0.000 1.008 409 N HN -0.137 8.170 8.380 -0.123 0.000 0.424 410 K N -1.543 118.747 120.400 -0.184 0.000 2.148 410 K HA -0.265 nan 4.320 nan 0.000 0.204 410 K C 1.481 178.061 176.600 -0.033 0.000 1.050 410 K CA 2.554 58.758 56.287 -0.138 0.000 0.942 410 K CB 0.004 32.354 32.500 -0.251 0.000 0.724 410 K HN -0.087 7.995 8.250 -0.279 0.000 0.446 411 Y N -0.666 119.424 120.300 -0.350 0.000 2.365 411 Y HA -0.123 nan 4.550 nan 0.000 0.293 411 Y C 1.190 177.060 175.900 -0.049 0.000 1.119 411 Y CA 2.961 60.859 58.100 -0.335 0.000 1.203 411 Y CB 1.385 39.289 38.460 -0.928 0.000 1.026 411 Y HN -0.295 7.717 8.280 -0.277 0.101 0.549 412 T N 0.580 115.163 114.554 0.048 0.000 2.881 412 T HA -0.358 nan 4.350 nan 0.000 0.270 412 T C 1.520 176.173 174.700 -0.078 0.000 1.068 412 T CA 3.287 65.431 62.100 0.072 0.000 1.131 412 T CB -0.977 68.031 68.868 0.232 0.000 0.871 412 T HN 0.159 8.425 8.240 0.043 0.000 0.479 413 K N -1.435 118.861 120.400 -0.174 0.000 2.283 413 K HA -0.198 nan 4.320 nan 0.000 0.202 413 K C 0.920 177.119 176.600 -0.667 0.000 1.048 413 K CA 2.183 58.210 56.287 -0.433 0.000 0.948 413 K CB 0.100 32.236 32.500 -0.606 0.000 0.742 413 K HN -0.262 7.891 8.250 -0.113 0.029 0.458 414 F N -3.768 116.099 119.950 -0.138 0.000 2.831 414 F HA 0.155 nan 4.527 nan 0.000 0.334 414 F C 0.775 176.413 175.800 -0.270 0.000 1.071 414 F CA -0.062 57.814 58.000 -0.206 0.000 1.172 414 F CB 1.721 40.538 39.000 -0.305 0.000 1.054 414 F HN -0.612 7.461 8.300 -0.135 0.146 0.572 415 G N -0.874 107.768 108.800 -0.263 0.000 2.616 415 G HA2 -0.111 nan 3.960 nan 0.000 0.268 415 G HA3 -0.111 nan 3.960 nan 0.000 0.268 415 G C -1.523 173.379 174.900 0.003 0.000 1.213 415 G CA -0.414 44.532 45.100 -0.257 0.000 0.926 415 G HN -0.314 7.791 8.290 -0.309 0.000 0.523 416 N N 0.149 118.917 118.700 0.114 0.000 2.451 416 N HA 0.035 nan 4.740 nan 0.000 0.264 416 N C -1.501 174.090 175.510 0.134 0.000 1.167 416 N CA -1.896 51.214 53.050 0.100 0.000 0.898 416 N CB 0.345 38.887 38.487 0.092 0.000 1.176 416 N HN 0.562 8.965 8.380 0.193 0.092 0.507 417 G N -3.434 105.450 108.800 0.141 0.000 3.239 417 G HA2 -0.208 nan 3.960 nan 0.000 0.666 417 G HA3 -0.208 nan 3.960 nan 0.000 0.666 417 G C -2.572 172.412 174.900 0.140 0.000 1.313 417 G CA -0.301 44.864 45.100 0.109 0.000 1.001 417 G HN -0.458 7.827 8.290 0.132 0.085 0.573 418 T N 0.028 114.546 114.554 -0.060 0.000 2.861 418 T HA 0.901 nan 4.350 nan 0.000 0.287 418 T C -1.396 173.091 174.700 -0.356 0.000 1.003 418 T CA -2.489 59.600 62.100 -0.019 0.000 0.977 418 T CB 2.873 71.813 68.868 0.119 0.000 0.996 418 T HN 0.160 8.300 8.240 -0.167 0.000 0.448 419 Y N 2.975 123.275 120.300 0.000 0.000 2.350 419 Y HA 0.387 nan 4.550 nan 0.000 0.338 419 Y C -2.182 173.848 175.900 0.218 0.000 0.961 419 Y CA -1.236 56.837 58.100 -0.045 0.000 1.100 419 Y CB 3.170 41.207 38.460 -0.706 0.000 1.179 419 Y HN 0.776 9.103 8.280 0.078 0.000 0.454 420 L N 3.398 125.013 121.223 0.652 0.000 2.346 420 L HA 0.711 nan 4.340 nan 0.000 0.276 420 L C -2.359 174.937 176.870 0.710 0.000 1.006 420 L CA -1.653 53.492 54.840 0.510 0.000 0.817 420 L CB 3.325 45.551 42.059 0.279 0.000 1.272 420 L HN 0.280 8.988 8.230 0.797 0.000 0.421 421 Y N 1.617 122.201 120.300 0.473 0.000 2.634 421 Y HA 0.831 nan 4.550 nan 0.000 0.340 421 Y C -2.516 173.655 175.900 0.452 0.000 1.058 421 Y CA -3.308 55.008 58.100 0.360 0.000 1.081 421 Y CB 3.403 41.991 38.460 0.214 0.000 1.295 421 Y HN -0.047 8.264 8.280 0.052 0.000 0.487 422 F N 1.052 121.286 119.950 0.474 0.000 2.771 422 F HA 0.292 nan 4.527 nan 0.000 0.365 422 F C -2.445 173.627 175.800 0.452 0.000 1.169 422 F CA -2.296 55.908 58.000 0.339 0.000 1.093 422 F CB 2.841 42.052 39.000 0.350 0.000 1.363 422 F HN 0.097 8.846 8.300 0.749 0.000 0.496 423 F N 9.384 129.430 119.950 0.160 0.000 2.471 423 F HA 0.018 nan 4.527 nan 0.000 0.365 423 F C -2.482 173.167 175.800 -0.251 0.000 1.095 423 F CA -0.919 57.101 58.000 0.033 0.000 1.174 423 F CB 0.941 40.031 39.000 0.149 0.000 1.105 423 F HN -0.122 8.480 8.300 0.503 0.000 0.535 424 N N 7.188 125.505 118.700 -0.638 0.000 2.791 424 N HA 0.060 nan 4.740 nan 0.000 0.265 424 N C -2.236 172.981 175.510 -0.488 0.000 1.580 424 N CA -1.407 51.327 53.050 -0.526 0.000 0.809 424 N CB -0.091 38.198 38.487 -0.330 0.000 1.178 424 N HN -0.233 7.805 8.380 -0.570 0.000 0.499 425 H N -0.064 118.480 119.070 -0.878 0.000 3.017 425 H HA 0.065 nan 4.556 nan 0.000 0.340 425 H C -1.460 173.659 175.328 -0.349 0.000 1.014 425 H CA 0.005 55.677 56.048 -0.628 0.000 1.341 425 H CB 2.554 31.823 29.762 -0.822 0.000 1.739 425 H HN -0.594 7.097 8.280 -0.981 0.000 0.506 426 R N 7.119 127.254 120.500 -0.609 0.000 2.221 426 R HA 0.042 nan 4.340 nan 0.000 0.327 426 R C -0.912 175.159 176.300 -0.381 0.000 1.033 426 R CA -0.964 54.942 56.100 -0.323 0.000 0.887 426 R CB 0.672 30.852 30.300 -0.200 0.000 1.057 426 R HN 0.190 8.098 8.270 -0.604 0.000 0.455 427 A N 6.131 128.971 122.820 0.033 0.000 2.520 427 A HA 0.005 nan 4.320 nan 0.000 0.245 427 A C 1.778 179.404 177.584 0.069 0.000 1.072 427 A CA 0.088 52.285 52.037 0.268 0.000 0.761 427 A CB 0.789 20.091 19.000 0.503 0.000 1.004 427 A HN 0.519 8.770 8.150 0.169 0.000 0.499 428 S N 5.045 120.802 115.700 0.093 0.000 2.387 428 S HA -0.380 nan 4.470 nan 0.000 0.230 428 S C 0.563 175.132 174.600 -0.052 0.000 1.035 428 S CA 3.436 61.646 58.200 0.017 0.000 1.014 428 S CB -0.136 63.098 63.200 0.057 0.000 0.836 428 S HN 0.449 9.244 8.310 0.232 -0.345 0.466 429 N N -1.474 117.151 118.700 -0.126 0.000 2.313 429 N HA -0.010 nan 4.740 nan 0.000 0.207 429 N C -0.245 175.177 175.510 -0.148 0.000 1.141 429 N CA -1.209 51.722 53.050 -0.199 0.000 0.830 429 N CB -0.547 37.698 38.487 -0.404 0.000 1.008 429 N HN -0.260 8.015 8.380 -0.131 0.026 0.481 430 L N 0.988 122.167 121.223 -0.073 0.000 2.540 430 L HA -0.072 nan 4.340 nan 0.000 0.276 430 L C 0.709 177.536 176.870 -0.072 0.000 1.212 430 L CA 0.892 55.702 54.840 -0.049 0.000 0.893 430 L CB 0.464 42.509 42.059 -0.025 0.000 1.138 430 L HN -0.416 7.603 8.230 -0.049 0.182 0.491 431 V N -0.079 119.763 119.914 -0.120 0.000 3.406 431 V HA -0.011 nan 4.120 nan 0.000 0.263 431 V C -0.086 175.934 176.094 -0.123 0.000 1.172 431 V CA -0.672 61.534 62.300 -0.157 0.000 1.140 431 V CB -0.708 30.932 31.823 -0.306 0.000 0.784 431 V HN 0.223 8.336 8.190 -0.129 0.000 0.467 432 W N 0.809 122.103 121.300 -0.008 0.000 2.237 432 W HA 0.248 nan 4.660 nan 0.000 0.335 432 W C -1.570 174.867 176.519 -0.137 0.000 1.230 432 W CA -2.636 54.685 57.345 -0.040 0.000 1.253 432 W CB -0.414 28.932 29.460 -0.190 0.000 1.129 432 W HN -0.670 7.492 8.180 0.054 0.050 0.590 433 P HA -0.131 nan 4.420 nan 0.000 0.265 433 P C 0.145 177.370 177.300 -0.125 0.000 1.193 433 P CA -0.094 63.008 63.100 0.003 0.000 0.765 433 P CB 0.905 32.687 31.700 0.136 0.000 0.823 434 E N 5.119 125.324 120.200 0.008 0.000 2.147 434 E HA -0.317 nan 4.350 nan 0.000 0.199 434 E C 2.099 178.713 176.600 0.024 0.000 1.005 434 E CA 3.757 60.165 56.400 0.013 0.000 0.810 434 E CB -0.259 29.482 29.700 0.069 0.000 0.736 434 E HN 0.722 9.121 8.360 0.064 0.000 0.460 435 W N -4.298 117.038 121.300 0.059 0.000 2.350 435 W HA -0.233 nan 4.660 nan 0.000 0.289 435 W C 1.074 177.638 176.519 0.076 0.000 1.215 435 W CA 1.294 58.680 57.345 0.069 0.000 1.236 435 W CB -1.589 27.920 29.460 0.082 0.000 1.130 435 W HN -0.241 8.123 8.180 0.340 0.020 0.541 436 M N -2.789 116.388 119.600 -0.705 0.000 2.358 436 M HA -0.378 nan 4.480 nan 0.000 0.264 436 M C 0.688 176.842 176.300 -0.244 0.000 1.064 436 M CA 1.965 56.865 55.300 -0.666 0.000 1.093 436 M CB 0.202 32.292 32.600 -0.851 0.000 1.401 436 M HN -0.533 7.036 8.290 -0.994 0.125 0.440 437 G N -2.449 106.268 108.800 -0.138 0.000 2.574 437 G HA2 -0.395 nan 3.960 nan 0.000 0.286 437 G HA3 -0.395 nan 3.960 nan 0.000 0.286 437 G C -0.213 174.643 174.900 -0.073 0.000 1.212 437 G CA -0.005 45.055 45.100 -0.067 0.000 0.979 437 G HN -0.447 7.590 8.290 -0.140 0.170 0.557 438 V N 4.814 124.701 119.914 -0.046 0.000 2.313 438 V HA 0.009 nan 4.120 nan 0.000 0.252 438 V C -0.031 176.099 176.094 0.061 0.000 1.112 438 V CA -0.207 62.088 62.300 -0.008 0.000 0.984 438 V CB -1.750 30.031 31.823 -0.070 0.000 1.157 438 V HN -0.047 8.442 8.190 -0.039 -0.322 0.493 439 I N 6.367 126.975 120.570 0.063 0.000 2.588 439 I HA -0.090 nan 4.170 nan 0.000 0.283 439 I C -0.474 175.804 176.117 0.267 0.000 1.119 439 I CA -0.051 61.305 61.300 0.094 0.000 1.419 439 I CB 0.608 38.558 38.000 -0.083 0.000 1.394 439 I HN -0.449 7.772 8.210 0.018 0.000 0.562 440 H N 9.670 128.780 119.070 0.066 0.000 3.157 440 H HA -0.480 nan 4.556 nan 0.000 0.299 440 H C 0.547 175.818 175.328 -0.095 0.000 0.961 440 H CA 2.483 58.548 56.048 0.029 0.000 1.428 440 H CB -0.014 29.776 29.762 0.045 0.000 1.459 440 H HN -0.078 8.332 8.280 0.217 0.000 0.566 441 G N 5.587 114.242 108.800 -0.243 0.000 2.201 441 G HA2 -0.383 nan 3.960 nan 0.000 0.212 441 G HA3 -0.383 nan 3.960 nan 0.000 0.212 441 G C -0.926 173.817 174.900 -0.263 0.000 0.994 441 G CA 0.078 44.944 45.100 -0.390 0.000 0.644 441 G HN 0.118 8.490 8.290 -0.192 -0.198 0.508 442 Y N 0.381 120.759 120.300 0.130 0.000 2.532 442 Y HA 0.043 nan 4.550 nan 0.000 0.283 442 Y C -0.333 175.732 175.900 0.274 0.000 1.181 442 Y CA -0.309 57.948 58.100 0.262 0.000 1.256 442 Y CB -0.401 38.235 38.460 0.294 0.000 1.112 442 Y HN 0.055 8.455 8.280 0.300 0.060 0.521 443 E N -0.539 119.697 120.200 0.060 0.000 2.290 443 E HA -0.098 nan 4.350 nan 0.000 0.197 443 E C 0.682 177.190 176.600 -0.153 0.000 0.948 443 E CA 1.144 57.309 56.400 -0.391 0.000 0.895 443 E CB -0.032 29.188 29.700 -0.800 0.000 0.865 443 E HN 0.038 8.337 8.360 0.025 0.076 0.486 444 I N 1.444 121.979 120.570 -0.058 0.000 2.113 444 I HA -0.582 nan 4.170 nan 0.000 0.242 444 I C 1.604 177.687 176.117 -0.057 0.000 1.057 444 I CA 3.807 65.077 61.300 -0.050 0.000 1.314 444 I CB -0.638 37.354 38.000 -0.012 0.000 1.022 444 I HN -0.619 7.568 8.210 -0.037 0.000 0.408 445 E N -1.024 119.152 120.200 -0.040 0.000 2.204 445 E HA -0.345 nan 4.350 nan 0.000 0.195 445 E C 2.246 178.709 176.600 -0.228 0.000 0.990 445 E CA 2.708 59.032 56.400 -0.126 0.000 0.821 445 E CB -0.878 28.761 29.700 -0.101 0.000 0.750 445 E HN 0.214 8.584 8.360 0.016 -0.001 0.477 446 F N -0.934 118.909 119.950 -0.178 0.000 2.234 446 F HA -0.239 nan 4.527 nan 0.000 0.296 446 F C 2.006 177.637 175.800 -0.282 0.000 1.089 446 F CA 3.851 61.711 58.000 -0.233 0.000 1.343 446 F CB 0.262 39.130 39.000 -0.220 0.000 1.040 446 F HN -0.164 8.114 8.300 0.197 0.140 0.498 447 V N -0.942 118.880 119.914 -0.152 0.000 2.427 447 V HA -0.336 nan 4.120 nan 0.000 0.248 447 V C 1.580 177.573 176.094 -0.169 0.000 1.051 447 V CA 3.396 65.520 62.300 -0.293 0.000 1.048 447 V CB -0.504 31.132 31.823 -0.312 0.000 0.666 447 V HN -0.426 7.607 8.190 -0.116 0.088 0.456 448 F N -3.184 116.615 119.950 -0.252 0.000 2.731 448 F HA 0.034 nan 4.527 nan 0.000 0.304 448 F C 0.184 175.859 175.800 -0.208 0.000 1.133 448 F CA -0.881 56.997 58.000 -0.204 0.000 1.380 448 F CB 0.245 39.095 39.000 -0.251 0.000 1.079 448 F HN -0.253 8.138 8.300 0.151 0.000 0.550 449 G N -0.878 107.820 108.800 -0.170 0.000 2.179 449 G HA2 -0.418 nan 3.960 nan 0.000 0.257 449 G HA3 -0.418 nan 3.960 nan 0.000 0.257 449 G C 1.313 175.859 174.900 -0.591 0.000 1.010 449 G CA 0.754 45.672 45.100 -0.304 0.000 0.736 449 G HN -0.636 7.353 8.290 -0.169 0.200 0.513 450 L N 0.655 121.503 121.223 -0.626 0.000 2.042 450 L HA -0.114 nan 4.340 nan 0.000 0.210 450 L C -0.401 175.986 176.870 -0.805 0.000 1.076 450 L CA 3.758 58.174 54.840 -0.708 0.000 0.749 450 L CB -3.005 38.773 42.059 -0.468 0.000 0.893 450 L HN -0.050 7.890 8.230 -0.484 0.000 0.432 451 P HA -0.210 nan 4.420 nan 0.000 0.224 451 P C 0.663 177.664 177.300 -0.498 0.000 1.142 451 P CA 2.096 64.495 63.100 -1.169 0.000 0.778 451 P CB -0.368 30.684 31.700 -1.080 0.000 0.764 452 L N -3.740 117.224 121.223 -0.431 0.000 2.313 452 L HA -0.118 nan 4.340 nan 0.000 0.214 452 L C -0.318 176.450 176.870 -0.169 0.000 1.119 452 L CA 0.805 55.502 54.840 -0.238 0.000 0.809 452 L CB 1.073 43.024 42.059 -0.181 0.000 0.933 452 L HN -0.535 7.179 8.230 -0.541 0.191 0.449 453 V N -3.211 116.567 119.914 -0.228 0.000 2.432 453 V HA 0.175 nan 4.120 nan 0.000 0.275 453 V C 0.835 176.910 176.094 -0.032 0.000 1.043 453 V CA -1.069 61.170 62.300 -0.102 0.000 0.925 453 V CB 1.299 33.060 31.823 -0.104 0.000 0.985 453 V HN -0.159 7.666 8.190 -0.355 0.152 0.466 454 K N 7.882 128.278 120.400 -0.007 0.000 2.002 454 K HA -0.226 nan 4.320 nan 0.000 0.209 454 K C 1.443 178.053 176.600 0.017 0.000 1.048 454 K CA 2.771 59.066 56.287 0.014 0.000 0.930 454 K CB -1.052 31.453 32.500 0.008 0.000 0.714 454 K HN 0.558 8.803 8.250 -0.009 0.000 0.438 455 E N -1.225 118.977 120.200 0.004 0.000 2.526 455 E HA -0.187 nan 4.350 nan 0.000 0.205 455 E C 0.355 176.947 176.600 -0.013 0.000 1.104 455 E CA 1.838 58.234 56.400 -0.006 0.000 0.899 455 E CB -1.769 27.926 29.700 -0.009 0.000 0.838 455 E HN 0.393 8.754 8.360 0.002 0.000 0.564 456 L N -2.969 118.263 121.223 0.016 0.000 2.693 456 L HA 0.059 nan 4.340 nan 0.000 0.235 456 L C -0.306 176.506 176.870 -0.096 0.000 1.127 456 L CA -0.279 54.567 54.840 0.011 0.000 0.914 456 L CB 0.556 42.719 42.059 0.174 0.000 1.193 456 L HN -0.735 7.406 8.230 0.044 0.115 0.502 457 N N -3.468 115.207 118.700 -0.041 0.000 2.758 457 N HA -0.410 nan 4.740 nan 0.000 0.248 457 N C -1.441 173.994 175.510 -0.126 0.000 1.076 457 N CA 1.769 54.765 53.050 -0.089 0.000 0.696 457 N CB -2.136 36.264 38.487 -0.145 0.000 0.979 457 N HN 0.050 8.278 8.380 0.003 0.154 0.550 458 Y N -3.847 116.428 120.300 -0.041 0.000 2.453 458 Y HA 0.148 nan 4.550 nan 0.000 0.326 458 Y C 0.990 176.899 175.900 0.015 0.000 1.186 458 Y CA -0.685 57.408 58.100 -0.012 0.000 1.200 458 Y CB 1.776 40.203 38.460 -0.054 0.000 1.247 458 Y HN -0.532 7.905 8.280 0.262 0.000 0.482 459 T N -1.400 113.292 114.554 0.230 0.000 2.828 459 T HA 0.148 nan 4.350 nan 0.000 0.290 459 T C 0.882 175.662 174.700 0.134 0.000 1.019 459 T CA -1.480 60.710 62.100 0.150 0.000 1.031 459 T CB 0.993 69.950 68.868 0.147 0.000 1.001 459 T HN 0.321 9.050 8.240 0.285 -0.318 0.531 460 A N 0.889 123.762 122.820 0.088 0.000 1.902 460 A HA -0.178 nan 4.320 nan 0.000 0.217 460 A C 2.291 179.914 177.584 0.065 0.000 1.181 460 A CA 3.207 55.281 52.037 0.062 0.000 0.623 460 A CB -0.506 18.521 19.000 0.045 0.000 0.818 460 A HN 0.564 8.760 8.150 0.077 0.000 0.443 461 E N -2.222 118.026 120.200 0.079 0.000 2.209 461 E HA -0.355 nan 4.350 nan 0.000 0.196 461 E C 2.680 179.330 176.600 0.083 0.000 0.993 461 E CA 3.361 59.802 56.400 0.069 0.000 0.819 461 E CB -0.477 29.270 29.700 0.077 0.000 0.745 461 E HN 0.640 9.051 8.360 0.085 0.000 0.477 462 E N -1.863 118.429 120.200 0.154 0.000 2.170 462 E HA -0.198 nan 4.350 nan 0.000 0.191 462 E C 2.069 178.735 176.600 0.110 0.000 0.981 462 E CA 2.636 59.189 56.400 0.255 0.000 0.830 462 E CB -0.237 29.714 29.700 0.418 0.000 0.775 462 E HN -0.578 7.724 8.360 0.164 0.156 0.470 463 E N 0.650 120.865 120.200 0.025 0.000 2.077 463 E HA -0.274 nan 4.350 nan 0.000 0.193 463 E C 1.735 178.327 176.600 -0.012 0.000 0.989 463 E CA 2.659 59.031 56.400 -0.047 0.000 0.800 463 E CB -0.159 29.524 29.700 -0.028 0.000 0.746 463 E HN -0.803 7.488 8.360 0.057 0.103 0.452 464 A N -0.253 122.577 122.820 0.016 0.000 1.851 464 A HA -0.257 nan 4.320 nan 0.000 0.216 464 A C 1.954 179.550 177.584 0.020 0.000 1.195 464 A CA 3.198 55.241 52.037 0.010 0.000 0.622 464 A CB -0.745 18.262 19.000 0.012 0.000 0.831 464 A HN 0.188 8.355 8.150 0.028 0.000 0.444 465 L N -2.466 118.785 121.223 0.048 0.000 2.187 465 L HA -0.276 nan 4.340 nan 0.000 0.213 465 L C 2.083 179.031 176.870 0.129 0.000 1.100 465 L CA 2.524 57.400 54.840 0.060 0.000 0.765 465 L CB -0.524 41.517 42.059 -0.029 0.000 0.904 465 L HN -0.265 7.996 8.230 0.051 0.000 0.437 466 S N -0.401 115.387 115.700 0.148 0.000 2.357 466 S HA -0.265 nan 4.470 nan 0.000 0.221 466 S C 2.242 176.841 174.600 -0.001 0.000 1.031 466 S CA 3.526 61.769 58.200 0.070 0.000 0.982 466 S CB -0.390 62.740 63.200 -0.117 0.000 0.853 466 S HN -0.188 8.070 8.310 0.120 0.124 0.458 467 R N 0.673 121.167 120.500 -0.009 0.000 2.092 467 R HA -0.285 nan 4.340 nan 0.000 0.231 467 R C 2.611 178.906 176.300 -0.009 0.000 1.119 467 R CA 3.531 59.624 56.100 -0.010 0.000 0.970 467 R CB -0.237 30.049 30.300 -0.024 0.000 0.864 467 R HN -0.324 7.940 8.270 -0.010 0.000 0.440 468 R N -0.682 119.801 120.500 -0.029 0.000 2.091 468 R HA -0.260 nan 4.340 nan 0.000 0.238 468 R C 2.509 178.807 176.300 -0.003 0.000 1.136 468 R CA 3.557 59.601 56.100 -0.094 0.000 0.959 468 R CB -0.094 30.182 30.300 -0.041 0.000 0.856 468 R HN 0.086 8.348 8.270 -0.014 0.000 0.437 469 I N 0.199 120.837 120.570 0.113 0.000 2.233 469 I HA -0.462 nan 4.170 nan 0.000 0.243 469 I C 1.839 178.065 176.117 0.181 0.000 1.093 469 I CA 3.556 64.968 61.300 0.187 0.000 1.380 469 I CB 0.120 38.023 38.000 -0.162 0.000 1.067 469 I HN -0.178 8.071 8.210 0.065 0.000 0.413 470 M N -1.517 118.107 119.600 0.040 0.000 2.143 470 M HA -0.606 nan 4.480 nan 0.000 0.258 470 M C 2.002 178.428 176.300 0.210 0.000 1.071 470 M CA 4.534 59.872 55.300 0.062 0.000 1.088 470 M CB -0.550 32.054 32.600 0.007 0.000 1.360 470 M HN 0.076 8.362 8.290 -0.007 0.000 0.404 471 H N 0.291 119.421 119.070 0.099 0.000 2.276 471 H HA -0.355 nan 4.556 nan 0.000 0.301 471 H C 2.235 177.705 175.328 0.237 0.000 1.073 471 H CA 4.806 60.906 56.048 0.087 0.000 1.311 471 H CB 0.733 30.472 29.762 -0.039 0.000 1.379 471 H HN -0.399 8.005 8.280 0.226 0.011 0.494 472 Y N -1.884 118.655 120.300 0.398 0.000 2.173 472 Y HA -0.444 nan 4.550 nan 0.000 0.282 472 Y C 2.822 178.906 175.900 0.306 0.000 1.192 472 Y CA 3.259 61.604 58.100 0.408 0.000 1.176 472 Y CB -0.917 37.974 38.460 0.718 0.000 0.969 472 Y HN -0.560 7.955 8.280 0.392 0.000 0.519 473 W N -2.397 119.029 121.300 0.210 0.000 2.418 473 W HA -0.453 nan 4.660 nan 0.000 0.319 473 W C 1.809 178.340 176.519 0.020 0.000 1.183 473 W CA 2.689 60.087 57.345 0.090 0.000 1.327 473 W CB 0.298 29.795 29.460 0.060 0.000 1.163 473 W HN 0.072 8.675 8.180 0.872 0.099 0.479 474 A N -1.931 120.991 122.820 0.170 0.000 1.859 474 A HA -0.454 nan 4.320 nan 0.000 0.217 474 A C 2.019 179.562 177.584 -0.069 0.000 1.198 474 A CA 3.430 55.465 52.037 -0.004 0.000 0.629 474 A CB -1.101 17.873 19.000 -0.044 0.000 0.830 474 A HN 0.413 8.705 8.150 0.237 0.000 0.446 475 T N 1.659 116.120 114.554 -0.155 0.000 2.685 475 T HA -0.363 nan 4.350 nan 0.000 0.268 475 T C 1.717 176.354 174.700 -0.104 0.000 1.034 475 T CA 4.575 66.558 62.100 -0.194 0.000 1.149 475 T CB -0.474 68.220 68.868 -0.291 0.000 0.860 475 T HN 0.255 8.269 8.240 -0.212 0.099 0.449 476 F N 1.832 121.660 119.950 -0.203 0.000 2.186 476 F HA -0.335 nan 4.527 nan 0.000 0.299 476 F C 0.800 176.487 175.800 -0.190 0.000 1.090 476 F CA 2.640 60.481 58.000 -0.266 0.000 1.307 476 F CB -0.043 38.717 39.000 -0.399 0.000 1.019 476 F HN -0.940 7.330 8.300 0.103 0.092 0.489 477 A N 0.261 123.034 122.820 -0.078 0.000 1.865 477 A HA -0.440 nan 4.320 nan 0.000 0.217 477 A C 1.565 179.026 177.584 -0.204 0.000 1.191 477 A CA 3.489 55.447 52.037 -0.132 0.000 0.623 477 A CB -0.813 18.144 19.000 -0.072 0.000 0.826 477 A HN 0.013 8.089 8.150 0.032 0.094 0.444 478 K N -4.696 115.604 120.400 -0.166 0.000 2.211 478 K HA -0.268 nan 4.320 nan 0.000 0.203 478 K C 2.468 178.962 176.600 -0.177 0.000 1.050 478 K CA 3.018 59.219 56.287 -0.143 0.000 0.945 478 K CB -0.011 32.422 32.500 -0.111 0.000 0.732 478 K HN -0.159 8.007 8.250 -0.141 0.000 0.451 479 T N -4.605 109.798 114.554 -0.252 0.000 2.989 479 T HA 0.154 nan 4.350 nan 0.000 0.250 479 T C 0.310 174.811 174.700 -0.332 0.000 0.981 479 T CA 0.504 62.460 62.100 -0.239 0.000 0.980 479 T CB 1.722 70.482 68.868 -0.180 0.000 1.133 479 T HN -0.494 7.424 8.240 -0.296 0.144 0.489 480 G N 2.588 111.003 108.800 -0.641 0.000 2.159 480 G HA2 -0.355 nan 3.960 nan 0.000 0.227 480 G HA3 -0.355 nan 3.960 nan 0.000 0.227 480 G C -2.348 172.285 174.900 -0.444 0.000 0.986 480 G CA 0.380 45.015 45.100 -0.775 0.000 0.651 480 G HN 0.263 7.959 8.290 -0.784 0.124 0.523 481 N N -0.296 118.180 118.700 -0.375 0.000 2.397 481 N HA 0.343 nan 4.740 nan 0.000 0.291 481 N C -2.165 173.175 175.510 -0.285 0.000 1.065 481 N CA -2.584 50.274 53.050 -0.320 0.000 0.884 481 N CB 2.035 40.452 38.487 -0.117 0.000 1.551 481 N HN -0.838 7.243 8.380 -0.410 0.053 0.487 482 P HA -0.072 nan 4.420 nan 0.000 0.222 482 P C -0.377 176.988 177.300 0.108 0.000 1.153 482 P CA 1.038 64.015 63.100 -0.204 0.000 0.798 482 P CB 0.492 31.798 31.700 -0.656 0.000 0.796 483 N N 0.392 119.129 118.700 0.062 0.000 2.518 483 N HA -0.102 nan 4.740 nan 0.000 0.266 483 N C -0.476 175.117 175.510 0.139 0.000 1.196 483 N CA 0.683 53.855 53.050 0.202 0.000 0.947 483 N CB 0.458 39.061 38.487 0.194 0.000 1.098 483 N HN -0.243 8.311 8.380 -0.112 -0.241 0.450 491 K N -0.443 120.118 120.400 0.269 0.000 1.819 491 K HA -0.042 nan 4.320 nan 0.000 0.524 491 K C -2.330 174.469 176.600 0.331 0.000 1.802 491 K CA 1.378 57.829 56.287 0.274 0.000 1.003 491 K CB -0.130 32.481 32.500 0.184 0.000 1.773 491 K HN 0.188 8.629 8.250 0.319 0.000 0.383 492 W N 5.695 127.094 121.300 0.166 0.000 2.605 492 W HA 0.071 nan 4.660 nan 0.000 0.327 492 W C -1.559 175.107 176.519 0.244 0.000 1.332 492 W CA -3.408 54.031 57.345 0.156 0.000 1.403 492 W CB -0.848 28.649 29.460 0.060 0.000 1.452 492 W HN 0.044 8.683 8.180 0.557 -0.125 0.503 493 P HA -0.056 nan 4.420 nan 0.000 0.273 493 P C -1.815 175.670 177.300 0.308 0.000 1.250 493 P CA -0.712 62.596 63.100 0.346 0.000 0.793 493 P CB 0.901 32.721 31.700 0.201 0.000 1.011 494 L N -1.551 119.717 121.223 0.075 0.000 2.350 494 L HA 0.182 nan 4.340 nan 0.000 0.275 494 L C 0.224 177.075 176.870 -0.033 0.000 1.099 494 L CA -0.793 53.937 54.840 -0.184 0.000 0.808 494 L CB 1.128 43.067 42.059 -0.200 0.000 1.149 494 L HN -0.175 8.105 8.230 0.083 0.000 0.442 495 F N 5.824 125.698 119.950 -0.127 0.000 2.484 495 F HA 0.004 nan 4.527 nan 0.000 0.360 495 F C -1.564 174.220 175.800 -0.027 0.000 1.101 495 F CA 0.908 58.907 58.000 -0.001 0.000 1.251 495 F CB 1.728 40.747 39.000 0.032 0.000 1.132 495 F HN 0.514 8.676 8.300 -0.050 0.108 0.570 496 T N 6.826 120.932 114.554 -0.748 0.000 3.032 496 T HA 0.273 nan 4.350 nan 0.000 0.312 496 T C -0.191 174.151 174.700 -0.597 0.000 1.078 496 T CA -0.328 61.509 62.100 -0.439 0.000 1.028 496 T CB 2.914 71.632 68.868 -0.250 0.000 1.091 496 T HN -0.048 7.477 8.240 -1.192 0.000 0.457 497 T N 2.417 116.806 114.554 -0.275 0.000 2.848 497 T HA -0.338 nan 4.350 nan 0.000 0.269 497 T C 0.974 175.588 174.700 -0.143 0.000 1.081 497 T CA 2.618 64.637 62.100 -0.136 0.000 1.125 497 T CB -0.417 68.429 68.868 -0.038 0.000 0.848 497 T HN 0.258 8.414 8.240 -0.140 0.000 0.503 498 K N 0.962 121.266 120.400 -0.160 0.000 2.019 498 K HA -0.120 nan 4.320 nan 0.000 0.209 498 K C 1.290 177.818 176.600 -0.120 0.000 1.032 498 K CA 2.166 58.387 56.287 -0.109 0.000 0.947 498 K CB 0.027 32.475 32.500 -0.087 0.000 0.757 498 K HN -0.182 7.913 8.250 -0.180 0.047 0.444 499 E N -2.216 117.893 120.200 -0.151 0.000 2.072 499 E HA -0.196 nan 4.350 nan 0.000 0.190 499 E C 0.519 177.027 176.600 -0.154 0.000 0.982 499 E CA 1.879 58.206 56.400 -0.121 0.000 0.803 499 E CB 0.113 29.754 29.700 -0.098 0.000 0.755 499 E HN 0.099 8.360 8.360 -0.165 0.000 0.453 500 Q N -4.843 114.730 119.800 -0.379 0.000 2.470 500 Q HA -0.438 nan 4.340 nan 0.000 0.294 500 Q C -0.983 175.009 176.000 -0.014 0.000 1.356 500 Q CA 0.369 55.858 55.803 -0.525 0.000 0.805 500 Q CB -2.380 26.262 28.738 -0.160 0.000 1.157 500 Q HN 0.052 7.952 8.270 -0.475 0.085 0.431 501 K N -1.946 118.446 120.400 -0.013 0.000 2.237 501 K HA 0.229 nan 4.320 nan 0.000 0.270 501 K C -0.754 176.084 176.600 0.397 0.000 1.015 501 K CA 0.745 57.116 56.287 0.140 0.000 0.949 501 K CB 0.928 33.462 32.500 0.057 0.000 0.976 501 K HN -0.028 8.128 8.250 -0.157 0.000 0.472 502 F N -3.883 116.199 119.950 0.220 0.000 2.779 502 F HA 0.738 nan 4.527 nan 0.000 0.316 502 F C -2.712 173.173 175.800 0.142 0.000 1.164 502 F CA -2.068 56.087 58.000 0.259 0.000 0.924 502 F CB 3.151 42.312 39.000 0.269 0.000 1.348 502 F HN 0.175 8.394 8.300 -0.135 0.000 0.467 503 I N -6.626 114.006 120.570 0.103 0.000 2.969 503 I HA 0.676 nan 4.170 nan 0.000 0.307 503 I C -1.866 174.368 176.117 0.196 0.000 1.149 503 I CA -2.187 59.045 61.300 -0.113 0.000 1.008 503 I CB 3.712 41.519 38.000 -0.322 0.000 1.232 503 I HN -0.316 8.125 8.210 0.386 0.000 0.435 504 D N 1.249 121.760 120.400 0.185 0.000 2.329 504 D HA 0.474 nan 4.640 nan 0.000 0.246 504 D C -0.711 175.672 176.300 0.138 0.000 1.111 504 D CA 0.099 54.287 54.000 0.314 0.000 0.941 504 D CB 0.965 41.942 40.800 0.295 0.000 1.169 504 D HN -0.200 8.195 8.370 0.041 0.000 0.441 505 L N 2.438 123.751 121.223 0.150 0.000 2.442 505 L HA 0.373 nan 4.340 nan 0.000 0.261 505 L C -2.432 174.414 176.870 -0.041 0.000 1.000 505 L CA -0.964 53.944 54.840 0.113 0.000 0.882 505 L CB 0.081 42.315 42.059 0.291 0.000 1.207 505 L HN -0.025 8.427 8.230 0.169 -0.121 0.443 506 N N 2.337 120.987 118.700 -0.083 0.000 3.364 506 N HA 0.295 nan 4.740 nan 0.000 0.294 506 N C -0.559 174.847 175.510 -0.173 0.000 1.562 506 N CA -0.327 52.589 53.050 -0.223 0.000 0.862 506 N CB 1.812 40.227 38.487 -0.120 0.000 1.691 506 N HN -0.052 8.316 8.380 -0.020 0.000 0.572 507 T N -6.397 108.033 114.554 -0.207 0.000 3.215 507 T HA 0.086 nan 4.350 nan 0.000 0.254 507 T C 0.530 175.221 174.700 -0.016 0.000 1.149 507 T CA 0.660 62.698 62.100 -0.104 0.000 1.042 507 T CB -0.694 68.129 68.868 -0.074 0.000 0.966 507 T HN 0.181 8.280 8.240 -0.236 0.000 0.534 508 E N 1.800 121.999 120.200 -0.000 0.000 2.232 508 E HA 0.385 nan 4.350 nan 0.000 0.264 508 E C -2.731 173.884 176.600 0.025 0.000 0.973 508 E CA -3.033 53.380 56.400 0.022 0.000 0.849 508 E CB 0.624 30.346 29.700 0.037 0.000 1.198 508 E HN -0.293 8.321 8.360 -0.013 -0.262 0.407 509 P HA -0.159 nan 4.420 nan 0.000 0.261 509 P C -1.118 176.196 177.300 0.023 0.000 1.183 509 P CA 0.679 63.797 63.100 0.028 0.000 0.761 509 P CB 0.391 32.105 31.700 0.023 0.000 0.785 510 M N 4.416 124.036 119.600 0.034 0.000 2.504 510 M HA -0.263 nan 4.480 nan 0.000 0.378 510 M C -0.988 175.288 176.300 -0.041 0.000 1.706 510 M CA 1.270 56.578 55.300 0.013 0.000 1.036 510 M CB 0.240 32.874 32.600 0.056 0.000 2.129 510 M HN 0.194 8.516 8.290 0.053 0.000 0.474 511 K N 6.377 126.722 120.400 -0.092 0.000 2.138 511 K HA 0.171 nan 4.320 nan 0.000 0.263 511 K C -1.714 174.647 176.600 -0.399 0.000 0.965 511 K CA -0.956 55.191 56.287 -0.234 0.000 0.868 511 K CB 2.244 34.588 32.500 -0.260 0.000 1.083 511 K HN -0.154 8.067 8.250 -0.049 0.000 0.443 512 V N 2.674 122.318 119.914 -0.449 0.000 2.370 512 V HA 0.436 nan 4.120 nan 0.000 0.283 512 V C -0.282 175.418 176.094 -0.657 0.000 1.023 512 V CA -1.116 60.918 62.300 -0.443 0.000 0.857 512 V CB 0.236 31.937 31.823 -0.204 0.000 0.985 512 V HN 0.272 8.241 8.190 -0.369 0.000 0.443 513 H N 7.632 126.323 119.070 -0.632 0.000 2.915 513 H HA 0.483 nan 4.556 nan 0.000 0.298 513 H C -1.346 173.703 175.328 -0.466 0.000 1.516 513 H CA -1.695 53.974 56.048 -0.633 0.000 1.480 513 H CB 3.398 32.638 29.762 -0.869 0.000 1.847 513 H HN 1.044 8.657 8.280 -0.935 0.106 0.806 514 Q N -2.123 117.724 119.800 0.078 0.000 2.456 514 Q HA 0.339 nan 4.340 nan 0.000 0.284 514 Q C -0.947 175.312 176.000 0.432 0.000 1.061 514 Q CA -1.242 54.716 55.803 0.257 0.000 0.799 514 Q CB 4.166 32.974 28.738 0.118 0.000 1.445 514 Q HN 0.124 8.513 8.270 0.198 0.000 0.411 515 R N -2.365 118.347 120.500 0.353 0.000 2.939 515 R HA -0.424 nan 4.340 nan 0.000 0.255 515 R C -0.504 175.896 176.300 0.168 0.000 0.882 515 R CA 0.417 56.664 56.100 0.244 0.000 0.658 515 R CB -1.612 28.782 30.300 0.157 0.000 1.447 515 R HN 0.092 8.555 8.270 0.321 0.000 0.506 516 L N 1.473 122.697 121.223 0.002 0.000 2.513 516 L HA -0.160 nan 4.340 nan 0.000 0.272 516 L C 0.187 176.988 176.870 -0.114 0.000 1.187 516 L CA 1.178 55.826 54.840 -0.320 0.000 0.895 516 L CB 0.341 41.969 42.059 -0.718 0.000 1.147 516 L HN 0.187 8.452 8.230 0.057 0.000 0.483 517 R N 2.651 123.100 120.500 -0.084 0.000 3.358 517 R HA -0.442 nan 4.340 nan 0.000 0.248 517 R C 0.354 176.709 176.300 0.093 0.000 0.981 517 R CA 0.297 56.417 56.100 0.033 0.000 0.662 517 R CB -3.100 27.243 30.300 0.071 0.000 1.037 517 R HN 0.427 8.610 8.270 -0.146 0.000 0.460 518 V N -0.022 119.942 119.914 0.084 0.000 2.287 518 V HA -0.508 nan 4.120 nan 0.000 0.248 518 V C 0.761 176.928 176.094 0.121 0.000 1.053 518 V CA 4.087 66.452 62.300 0.109 0.000 1.027 518 V CB -0.299 31.585 31.823 0.102 0.000 0.646 518 V HN -0.568 7.641 8.190 0.065 0.019 0.447 519 Q N -0.937 118.921 119.800 0.097 0.000 2.014 519 Q HA -0.353 nan 4.340 nan 0.000 0.207 519 Q C 2.361 178.437 176.000 0.126 0.000 0.993 519 Q CA 3.873 59.725 55.803 0.081 0.000 0.850 519 Q CB -0.515 28.247 28.738 0.039 0.000 0.916 519 Q HN 0.302 8.620 8.270 0.081 0.000 0.417 520 M N -2.399 117.303 119.600 0.171 0.000 2.229 520 M HA -0.201 nan 4.480 nan 0.000 0.264 520 M C 2.399 179.002 176.300 0.505 0.000 1.063 520 M CA 2.492 57.979 55.300 0.311 0.000 1.114 520 M CB -0.720 32.123 32.600 0.406 0.000 1.387 520 M HN -0.252 8.127 8.290 0.149 0.000 0.420 521 c N -0.561 118.266 118.600 0.379 0.000 2.448 521 c HA -0.110 nan 4.570 nan 0.000 0.280 521 c C 2.013 176.281 174.090 0.297 0.000 1.398 521 c CA 4.005 60.553 56.329 0.366 0.000 1.774 521 c CB -1.871 40.783 42.510 0.239 0.000 1.888 521 c HN 0.383 8.780 8.230 0.278 0.000 0.519 522 V N 0.832 120.892 119.914 0.242 0.000 2.667 522 V HA -0.248 nan 4.120 nan 0.000 0.252 522 V C 0.370 176.588 176.094 0.207 0.000 1.065 522 V CA 4.073 66.488 62.300 0.192 0.000 1.083 522 V CB -0.630 31.279 31.823 0.144 0.000 0.692 522 V HN -0.126 8.180 8.190 0.229 0.021 0.468 523 F N 1.582 121.609 119.950 0.130 0.000 2.113 523 F HA -0.209 nan 4.527 nan 0.000 0.297 523 F C 0.603 176.464 175.800 0.102 0.000 1.103 523 F CA 3.154 61.203 58.000 0.082 0.000 1.248 523 F CB 0.397 39.330 39.000 -0.112 0.000 0.999 523 F HN -0.964 7.443 8.300 0.363 0.111 0.475 524 W N -3.740 117.508 121.300 -0.086 0.000 2.407 524 W HA -0.311 nan 4.660 nan 0.000 0.305 524 W C 1.366 177.804 176.519 -0.135 0.000 1.196 524 W CA 3.206 60.457 57.345 -0.156 0.000 1.311 524 W CB 0.076 29.615 29.460 0.132 0.000 1.135 524 W HN -0.350 8.090 8.180 0.434 0.000 0.514 525 N N -3.754 115.056 118.700 0.183 0.000 2.333 525 N HA -0.107 nan 4.740 nan 0.000 0.178 525 N C 0.852 176.356 175.510 -0.010 0.000 1.018 525 N CA 1.964 55.032 53.050 0.029 0.000 0.882 525 N CB 0.445 38.953 38.487 0.035 0.000 0.984 525 N HN -0.014 8.413 8.380 0.264 0.112 0.434 526 Q N -1.458 118.363 119.800 0.036 0.000 2.606 526 Q HA 0.038 nan 4.340 nan 0.000 0.215 526 Q C 1.339 177.356 176.000 0.028 0.000 0.908 526 Q CA 2.209 58.039 55.803 0.044 0.000 0.908 526 Q CB 1.200 29.998 28.738 0.101 0.000 1.120 526 Q HN -0.299 7.904 8.270 0.069 0.108 0.628 527 F N 2.441 122.321 119.950 -0.117 0.000 2.031 527 F HA -0.325 nan 4.527 nan 0.000 0.295 527 F C 1.444 177.104 175.800 -0.233 0.000 1.133 527 F CA 3.053 60.966 58.000 -0.144 0.000 1.188 527 F CB 0.387 39.340 39.000 -0.078 0.000 0.974 527 F HN -0.123 8.275 8.300 0.163 0.000 0.473 528 L N -1.213 119.617 121.223 -0.655 0.000 1.991 528 L HA -0.355 nan 4.340 nan 0.000 0.221 528 L C -1.055 175.593 176.870 -0.370 0.000 1.079 528 L CA 6.032 60.488 54.840 -0.639 0.000 0.778 528 L CB -3.028 38.617 42.059 -0.689 0.000 0.893 528 L HN 0.667 8.347 8.230 -0.733 0.110 0.437 529 P HA -0.265 nan 4.420 nan 0.000 0.216 529 P C 0.785 177.992 177.300 -0.156 0.000 1.150 529 P CA 2.917 65.936 63.100 -0.135 0.000 0.837 529 P CB -0.466 31.180 31.700 -0.090 0.000 0.786 530 K N -2.980 117.303 120.400 -0.194 0.000 2.057 530 K HA -0.217 nan 4.320 nan 0.000 0.206 530 K C 2.855 179.320 176.600 -0.224 0.000 1.050 530 K CA 2.591 58.781 56.287 -0.162 0.000 0.935 530 K CB 0.075 32.511 32.500 -0.107 0.000 0.715 530 K HN -0.768 7.262 8.250 -0.215 0.091 0.439 531 L N 0.783 121.754 121.223 -0.419 0.000 1.994 531 L HA -0.285 nan 4.340 nan 0.000 0.208 531 L C 1.489 178.231 176.870 -0.212 0.000 1.071 531 L CA 3.041 57.641 54.840 -0.401 0.000 0.745 531 L CB 0.235 41.888 42.059 -0.677 0.000 0.892 531 L HN 0.104 7.991 8.230 -0.571 0.000 0.431 532 L N -5.395 115.715 121.223 -0.187 0.000 2.556 532 L HA -0.271 nan 4.340 nan 0.000 0.230 532 L C 0.275 177.109 176.870 -0.060 0.000 1.163 532 L CA 1.104 55.888 54.840 -0.093 0.000 0.819 532 L CB -0.632 41.396 42.059 -0.052 0.000 0.939 532 L HN 0.093 8.177 8.230 -0.243 0.000 0.452 533 N N -0.931 117.726 118.700 -0.071 0.000 3.170 533 N HA 0.087 nan 4.740 nan 0.000 0.305 533 N C -1.722 173.764 175.510 -0.040 0.000 1.499 533 N CA -0.293 52.730 53.050 -0.045 0.000 1.110 533 N CB -0.185 38.277 38.487 -0.042 0.000 1.390 533 N HN -0.648 7.594 8.380 -0.099 0.078 0.508 534 A N 0.000 122.798 122.820 -0.037 0.000 2.254 534 A HA 0.000 nan 4.320 nan 0.000 0.244 534 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 534 A CB 0.000 18.981 19.000 -0.031 0.000 0.831 534 A HN 0.000 8.060 8.150 -0.036 0.068 0.486