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 1w75_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 EPXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.645 174.600 0.075 0.000 1.055 4 S CA 0.000 58.228 58.200 0.047 0.000 1.107 4 S CB 0.000 63.227 63.200 0.045 0.000 0.593 5 E N 0.747 120.998 120.200 0.085 0.000 2.077 5 E HA -0.046 4.305 4.350 0.000 0.000 0.193 5 E C 1.357 178.084 176.600 0.212 0.000 0.989 5 E CA 1.465 57.943 56.400 0.128 0.000 0.800 5 E CB -0.147 29.615 29.700 0.103 0.000 0.746 5 E HN 0.656 nan 8.360 nan 0.000 0.452 6 L N 0.571 121.895 121.223 0.167 0.000 2.509 6 L HA 0.058 4.398 4.340 0.000 0.000 0.222 6 L C 0.521 177.596 176.870 0.342 0.000 1.123 6 L CA -0.301 54.663 54.840 0.207 0.000 0.856 6 L CB 0.291 42.375 42.059 0.042 0.000 0.985 6 L HN 0.117 nan 8.230 nan 0.000 0.456 7 L N 1.075 122.431 121.223 0.222 0.000 2.255 7 L HA 0.419 4.760 4.340 0.000 0.000 0.289 7 L C -0.506 176.429 176.870 0.108 0.000 1.046 7 L CA -0.130 54.819 54.840 0.182 0.000 0.816 7 L CB 1.076 43.199 42.059 0.107 0.000 1.197 7 L HN -0.317 nan 8.230 nan 0.000 0.427 8 V N 5.214 125.174 119.914 0.077 0.000 2.555 8 V HA 0.482 4.602 4.120 0.000 0.000 0.302 8 V C -0.086 175.912 176.094 -0.161 0.000 1.038 8 V CA -0.885 61.308 62.300 -0.179 0.000 0.887 8 V CB 1.904 33.354 31.823 -0.622 0.000 0.991 8 V HN 0.733 nan 8.190 nan 0.000 0.434 9 N N 2.625 121.153 118.700 -0.287 0.000 2.437 9 N HA 0.431 5.171 4.740 0.000 0.000 0.259 9 N C -0.363 174.805 175.510 -0.569 0.000 0.983 9 N CA -0.035 52.821 53.050 -0.323 0.000 0.937 9 N CB 1.887 40.176 38.487 -0.329 0.000 1.122 9 N HN 0.929 nan 8.380 nan 0.000 0.499 10 T N -0.171 114.152 114.554 -0.384 0.000 2.940 10 T HA 0.364 4.715 4.350 0.000 0.000 0.288 10 T C 1.154 175.636 174.700 -0.363 0.000 1.045 10 T CA -0.650 61.216 62.100 -0.390 0.000 1.018 10 T CB 1.548 70.427 68.868 0.017 0.000 1.151 10 T HN 0.350 nan 8.240 nan 0.000 0.529 11 K N 0.568 120.812 120.400 -0.260 0.000 2.360 11 K HA -0.043 4.277 4.320 0.000 0.000 0.201 11 K C 1.488 177.963 176.600 -0.208 0.000 1.046 11 K CA 1.460 57.633 56.287 -0.191 0.000 0.940 11 K CB -0.191 32.257 32.500 -0.088 0.000 0.748 11 K HN 0.651 nan 8.250 nan 0.000 0.465 12 S N -0.385 115.167 115.700 -0.246 0.000 2.578 12 S HA 0.327 4.798 4.470 0.000 0.000 0.231 12 S C 0.491 174.432 174.600 -1.097 0.000 0.994 12 S CA -0.209 57.736 58.200 -0.425 0.000 0.956 12 S CB 1.275 64.390 63.200 -0.140 0.000 0.870 12 S HN 0.457 nan 8.310 nan 0.000 0.494 13 G N 1.726 110.024 108.800 -0.837 0.000 2.347 13 G HA2 0.086 4.046 3.960 0.000 0.000 0.477 13 G HA3 0.086 4.046 3.960 0.000 0.000 0.477 13 G C -1.787 172.940 174.900 -0.288 0.000 1.349 13 G CA -1.291 43.264 45.100 -0.908 0.000 1.000 13 G HN 0.116 nan 8.290 nan 0.000 0.605 14 K N -0.508 119.919 120.400 0.045 0.000 2.270 14 K HA 0.597 4.917 4.320 0.000 0.000 0.276 14 K C -0.385 176.584 176.600 0.615 0.000 1.023 14 K CA -0.531 55.917 56.287 0.268 0.000 0.955 14 K CB 2.314 34.925 32.500 0.184 0.000 0.975 14 K HN 0.692 nan 8.250 nan 0.000 0.471 15 V N 3.227 123.428 119.914 0.480 0.000 2.823 15 V HA 0.489 4.610 4.120 0.000 0.000 0.312 15 V C -1.369 174.991 176.094 0.444 0.000 1.072 15 V CA -1.063 61.562 62.300 0.542 0.000 0.937 15 V CB 2.058 34.232 31.823 0.585 0.000 1.013 15 V HN 0.846 nan 8.190 nan 0.000 0.430 16 M N 5.547 125.397 119.600 0.416 0.000 2.046 16 M HA 0.735 5.215 4.480 0.000 0.000 0.309 16 M C 0.147 176.601 176.300 0.257 0.000 0.935 16 M CA 0.101 55.593 55.300 0.320 0.000 0.915 16 M CB 0.979 33.693 32.600 0.189 0.000 1.474 16 M HN 0.753 nan 8.290 nan 0.000 0.415 17 G N 1.566 110.493 108.800 0.212 0.000 2.486 17 G HA2 0.481 4.441 3.960 0.000 0.000 0.272 17 G HA3 0.481 4.441 3.960 0.000 0.000 0.272 17 G C -0.854 173.900 174.900 -0.243 0.000 1.426 17 G CA -0.091 44.824 45.100 -0.307 0.000 1.058 17 G HN 0.677 nan 8.290 nan 0.000 0.531 18 T N -1.665 112.680 114.554 -0.349 0.000 3.032 18 T HA 0.475 4.825 4.350 0.000 0.000 0.312 18 T C -0.390 174.192 174.700 -0.197 0.000 1.078 18 T CA -0.724 61.254 62.100 -0.203 0.000 1.028 18 T CB 1.053 69.825 68.868 -0.160 0.000 1.091 18 T HN 0.825 nan 8.240 nan 0.000 0.457 19 R N 3.492 123.923 120.500 -0.115 0.000 2.298 19 R HA 0.651 4.992 4.340 0.000 0.000 0.310 19 R C -0.306 175.994 176.300 0.001 0.000 1.068 19 R CA -0.528 55.537 56.100 -0.058 0.000 0.957 19 R CB 0.446 30.719 30.300 -0.045 0.000 1.003 19 R HN 0.435 nan 8.270 nan 0.000 0.454 20 V N 0.817 120.750 119.914 0.031 0.000 2.715 20 V HA 0.698 4.818 4.120 0.000 0.000 0.310 20 V C -2.528 173.579 176.094 0.022 0.000 1.054 20 V CA -3.058 59.261 62.300 0.031 0.000 0.928 20 V CB 1.588 33.414 31.823 0.004 0.000 1.007 20 V HN 0.823 nan 8.190 nan 0.000 0.437 21 P HA 0.473 nan 4.420 nan 0.000 0.285 21 P C -0.940 176.176 177.300 -0.306 0.000 1.259 21 P CA -0.281 62.596 63.100 -0.371 0.000 0.794 21 P CB 1.516 33.018 31.700 -0.330 0.000 0.940 22 V N 3.403 123.077 119.914 -0.400 0.000 2.623 22 V HA 0.257 4.378 4.120 0.000 0.000 0.304 22 V C 0.518 176.408 176.094 -0.340 0.000 1.054 22 V CA -1.187 60.899 62.300 -0.357 0.000 0.882 22 V CB 1.197 32.752 31.823 -0.448 0.000 1.002 22 V HN 0.424 nan 8.190 nan 0.000 0.424 23 L N 3.935 125.085 121.223 -0.123 0.000 4.035 23 L HA -0.223 4.118 4.340 0.000 0.000 0.490 23 L C 0.783 177.575 176.870 -0.129 0.000 1.163 23 L CA 0.729 55.535 54.840 -0.057 0.000 0.680 23 L CB -1.767 40.333 42.059 0.069 0.000 1.409 23 L HN 1.332 nan 8.230 nan 0.000 0.786 24 S N -0.869 114.739 115.700 -0.153 0.000 3.310 24 S HA 0.017 4.488 4.470 0.000 0.000 0.431 24 S C 0.082 174.571 174.600 -0.185 0.000 0.807 24 S CA 0.616 58.729 58.200 -0.145 0.000 1.358 24 S CB -0.782 62.384 63.200 -0.056 0.000 1.027 24 S HN 1.692 nan 8.310 nan 0.000 0.666 25 S N 1.064 116.577 115.700 -0.312 0.000 2.547 25 S HA 0.377 4.847 4.470 0.000 0.000 0.282 25 S C -1.602 172.684 174.600 -0.522 0.000 0.813 25 S CA -0.451 57.578 58.200 -0.286 0.000 1.250 25 S CB -0.110 62.866 63.200 -0.374 0.000 1.554 25 S HN 1.352 nan 8.310 nan 0.000 0.438 26 H N 0.234 119.184 119.070 -0.199 0.000 2.895 26 H HA 0.870 5.427 4.556 0.000 0.000 0.373 26 H C -0.105 175.171 175.328 -0.086 0.000 1.174 26 H CA -0.046 55.923 56.048 -0.133 0.000 1.144 26 H CB 1.381 31.100 29.762 -0.071 0.000 1.793 26 H HN 0.764 nan 8.280 nan 0.000 0.551 27 I N -2.420 118.196 120.570 0.076 0.000 3.279 27 I HA 0.669 4.839 4.170 0.000 0.000 0.315 27 I C -0.949 175.223 176.117 0.091 0.000 1.187 27 I CA -0.967 60.403 61.300 0.116 0.000 0.953 27 I CB 2.362 40.464 38.000 0.169 0.000 1.279 27 I HN 0.363 nan 8.210 nan 0.000 0.465 28 S N 1.527 117.286 115.700 0.098 0.000 2.537 28 S HA 0.794 5.265 4.470 0.000 0.000 0.275 28 S C -0.245 174.286 174.600 -0.114 0.000 1.272 28 S CA -0.392 57.776 58.200 -0.054 0.000 1.050 28 S CB 1.158 64.365 63.200 0.011 0.000 0.961 28 S HN 0.872 nan 8.310 nan 0.000 0.496 29 A N 2.826 125.398 122.820 -0.413 0.000 2.343 29 A HA 0.766 5.086 4.320 0.000 0.000 0.308 29 A C -1.207 175.956 177.584 -0.701 0.000 1.092 29 A CA -0.656 51.052 52.037 -0.548 0.000 0.751 29 A CB 0.450 19.173 19.000 -0.462 0.000 1.203 29 A HN 0.668 nan 8.150 nan 0.000 0.452 30 F N 2.951 122.730 119.950 -0.286 0.000 2.366 30 F HA 0.484 5.011 4.527 0.000 0.000 0.366 30 F C -0.125 175.529 175.800 -0.244 0.000 1.096 30 F CA -0.407 57.513 58.000 -0.135 0.000 1.060 30 F CB 1.239 40.256 39.000 0.028 0.000 1.282 30 F HN 0.348 nan 8.300 nan 0.000 0.450 31 L N 2.392 123.559 121.223 -0.093 0.000 2.309 31 L HA 0.685 5.025 4.340 0.000 0.000 0.282 31 L C 0.929 177.820 176.870 0.035 0.000 1.036 31 L CA -1.040 53.733 54.840 -0.111 0.000 0.806 31 L CB 1.481 43.385 42.059 -0.258 0.000 1.220 31 L HN 0.846 nan 8.230 nan 0.000 0.429 32 G N 3.360 112.203 108.800 0.072 0.000 2.333 32 G HA2 -0.260 3.701 3.960 0.000 0.000 0.296 32 G HA3 -0.260 3.701 3.960 0.000 0.000 0.296 32 G C -0.227 174.735 174.900 0.103 0.000 1.059 32 G CA -0.256 44.885 45.100 0.068 0.000 1.050 32 G HN 0.485 nan 8.290 nan 0.000 0.508 33 I N 2.123 122.685 120.570 -0.012 0.000 2.371 33 I HA 0.250 4.420 4.170 0.000 0.000 0.290 33 I C -1.452 174.461 176.117 -0.341 0.000 1.028 33 I CA -2.292 58.829 61.300 -0.299 0.000 1.345 33 I CB 1.397 39.223 38.000 -0.290 0.000 1.407 33 I HN 0.031 nan 8.210 nan 0.000 0.501 34 P HA 0.074 nan 4.420 nan 0.000 0.281 34 P C -0.306 176.670 177.300 -0.541 0.000 1.252 34 P CA -0.017 62.624 63.100 -0.766 0.000 0.778 34 P CB 0.630 31.759 31.700 -0.952 0.000 0.895 35 F N 0.959 120.595 119.950 -0.523 0.000 2.746 35 F HA 0.698 5.226 4.527 0.000 0.000 0.313 35 F C 0.128 175.845 175.800 -0.139 0.000 1.095 35 F CA -0.688 57.093 58.000 -0.365 0.000 1.224 35 F CB 0.026 38.754 39.000 -0.453 0.000 1.060 35 F HN 0.311 nan 8.300 nan 0.000 0.584 36 A N 0.280 122.756 122.820 -0.573 0.000 2.485 36 A HA 0.619 4.940 4.320 0.000 0.000 0.292 36 A C -0.588 176.818 177.584 -0.297 0.000 1.147 36 A CA -0.768 51.090 52.037 -0.298 0.000 0.750 36 A CB 0.978 19.778 19.000 -0.334 0.000 1.331 36 A HN 0.080 nan 8.150 nan 0.000 0.419 37 E N 0.667 120.781 120.200 -0.142 0.000 2.404 37 E HA 0.220 4.570 4.350 0.000 0.000 0.261 37 E C -2.303 174.194 176.600 -0.171 0.000 1.074 37 E CA -1.282 55.051 56.400 -0.112 0.000 0.917 37 E CB -0.034 29.645 29.700 -0.036 0.000 0.965 37 E HN 0.221 nan 8.360 nan 0.000 0.433 38 P HA 0.033 nan 4.420 nan 0.000 0.261 38 P C -2.234 175.002 177.300 -0.106 0.000 1.203 38 P CA -0.799 62.221 63.100 -0.133 0.000 0.767 38 P CB -0.070 31.592 31.700 -0.064 0.000 0.785 39 P HA 0.001 nan 4.420 nan 0.000 0.226 39 P C -0.271 176.966 177.300 -0.105 0.000 1.783 39 P CA 0.154 63.195 63.100 -0.098 0.000 0.980 39 P CB -0.130 31.512 31.700 -0.096 0.000 1.967 40 V N -2.553 117.308 119.914 -0.088 0.000 3.096 40 V HA 0.888 5.008 4.120 0.000 0.000 0.319 40 V C 1.107 177.155 176.094 -0.076 0.000 1.103 40 V CA 0.071 62.317 62.300 -0.090 0.000 1.016 40 V CB 0.835 32.614 31.823 -0.073 0.000 1.090 40 V HN 0.530 nan 8.190 nan 0.000 0.449 41 G N 1.954 110.706 108.800 -0.079 0.000 2.672 41 G HA2 -0.419 3.541 3.960 0.000 0.000 0.332 41 G HA3 -0.419 3.541 3.960 0.000 0.000 0.332 41 G C 0.833 175.692 174.900 -0.068 0.000 1.213 41 G CA 1.201 46.262 45.100 -0.065 0.000 0.980 41 G HN 1.044 nan 8.290 nan 0.000 0.548 42 N N 0.609 119.289 118.700 -0.034 0.000 2.381 42 N HA 0.089 4.829 4.740 0.000 0.000 0.182 42 N C 2.343 177.845 175.510 -0.015 0.000 1.025 42 N CA 1.387 54.431 53.050 -0.010 0.000 0.888 42 N CB -0.199 38.296 38.487 0.014 0.000 0.965 42 N HN 0.577 nan 8.380 nan 0.000 0.438 43 M N -0.301 119.276 119.600 -0.038 0.000 2.541 43 M HA 0.043 4.523 4.480 0.000 0.000 0.252 43 M C 0.566 176.817 176.300 -0.082 0.000 1.125 43 M CA -0.063 55.214 55.300 -0.038 0.000 1.091 43 M CB 0.255 32.833 32.600 -0.037 0.000 1.420 43 M HN -0.034 nan 8.290 nan 0.000 0.486 44 R N 0.927 121.325 120.500 -0.169 0.000 2.504 44 R HA -0.104 4.236 4.340 0.000 0.000 0.291 44 R C -0.460 175.605 176.300 -0.392 0.000 0.974 44 R CA 0.785 56.652 56.100 -0.388 0.000 1.077 44 R CB 0.086 30.037 30.300 -0.582 0.000 0.926 44 R HN 0.256 nan 8.270 nan 0.000 0.407 45 F N -0.535 119.417 119.950 0.004 0.000 2.502 45 F HA -0.273 4.255 4.527 0.000 0.000 0.480 45 F C 0.604 176.385 175.800 -0.031 0.000 0.543 45 F CA 0.770 58.747 58.000 -0.039 0.000 1.350 45 F CB -1.348 37.616 39.000 -0.061 0.000 1.999 45 F HN 0.614 nan 8.300 nan 0.000 0.267 46 R N 1.865 122.433 120.500 0.113 0.000 2.560 46 R HA 0.452 4.793 4.340 0.000 0.000 0.270 46 R C 0.679 177.007 176.300 0.047 0.000 1.074 46 R CA -0.824 55.321 56.100 0.074 0.000 1.140 46 R CB 0.653 30.982 30.300 0.048 0.000 1.073 46 R HN 0.122 nan 8.270 nan 0.000 0.527 47 R N 2.082 122.610 120.500 0.047 0.000 2.697 47 R HA 0.015 4.355 4.340 0.000 0.000 0.265 47 R C -1.897 174.426 176.300 0.038 0.000 1.009 47 R CA -0.834 55.293 56.100 0.045 0.000 1.099 47 R CB -0.434 29.900 30.300 0.056 0.000 0.965 47 R HN 0.413 nan 8.270 nan 0.000 0.428 48 P HA 0.089 nan 4.420 nan 0.000 0.272 48 P C -0.837 176.494 177.300 0.051 0.000 1.223 48 P CA 0.007 63.131 63.100 0.041 0.000 0.784 48 P CB 0.772 32.523 31.700 0.086 0.000 0.923 49 E N 2.062 122.282 120.200 0.033 0.000 2.238 49 E HA 0.399 4.749 4.350 0.000 0.000 0.267 49 E C -2.320 174.314 176.600 0.057 0.000 0.887 49 E CA -2.774 53.653 56.400 0.046 0.000 0.769 49 E CB 1.014 30.733 29.700 0.031 0.000 1.187 49 E HN 0.315 nan 8.360 nan 0.000 0.416 50 P HA -0.075 nan 4.420 nan 0.000 0.264 50 P C -0.673 176.689 177.300 0.103 0.000 1.183 50 P CA -0.136 63.041 63.100 0.128 0.000 0.763 50 P CB 0.450 32.228 31.700 0.131 0.000 0.807 51 K N 3.684 124.156 120.400 0.121 0.000 2.484 51 K HA -0.026 4.294 4.320 0.000 0.000 0.280 51 K C 0.004 176.705 176.600 0.169 0.000 1.013 51 K CA 0.576 56.930 56.287 0.111 0.000 1.029 51 K CB -0.114 32.465 32.500 0.130 0.000 0.902 51 K HN 0.226 nan 8.250 nan 0.000 0.481 52 K N 5.991 126.485 120.400 0.157 0.000 2.368 52 K HA 0.145 4.465 4.320 0.000 0.000 0.282 52 K C -2.201 174.541 176.600 0.236 0.000 1.035 52 K CA -1.690 54.691 56.287 0.156 0.000 0.973 52 K CB 0.494 33.073 32.500 0.133 0.000 0.957 52 K HN 0.518 nan 8.250 nan 0.000 0.474 53 P HA -0.060 nan 4.420 nan 0.000 0.266 53 P C -1.274 176.106 177.300 0.132 0.000 1.195 53 P CA -0.019 63.071 63.100 -0.016 0.000 0.768 53 P CB 0.273 31.893 31.700 -0.134 0.000 0.838 54 W N 1.393 122.771 121.300 0.129 0.000 2.647 54 W HA 0.702 5.362 4.660 0.000 0.000 0.353 54 W C -0.394 176.198 176.519 0.122 0.000 1.080 54 W CA -0.935 56.502 57.345 0.153 0.000 1.208 54 W CB 0.219 29.838 29.460 0.264 0.000 1.396 54 W HN 0.386 nan 8.180 nan 0.000 0.573 55 S N 1.571 117.434 115.700 0.273 0.000 2.713 55 S HA 0.830 5.301 4.470 0.000 0.000 0.283 55 S C 0.588 175.353 174.600 0.275 0.000 1.161 55 S CA 0.053 58.347 58.200 0.156 0.000 0.999 55 S CB 0.806 64.066 63.200 0.100 0.000 1.039 55 S HN 2.125 nan 8.310 nan 0.000 0.548 56 G N -0.161 108.747 108.800 0.180 0.000 2.641 56 G HA2 -0.159 3.801 3.960 0.000 0.000 0.254 56 G HA3 -0.159 3.801 3.960 0.000 0.000 0.254 56 G C -0.641 174.460 174.900 0.336 0.000 1.315 56 G CA -0.208 45.012 45.100 0.200 0.000 0.907 56 G HN 1.694 nan 8.290 nan 0.000 0.572 57 V N 0.641 120.723 119.914 0.279 0.000 2.334 57 V HA 0.398 4.518 4.120 0.000 0.000 0.281 57 V C 0.404 176.664 176.094 0.275 0.000 1.016 57 V CA -0.561 61.927 62.300 0.314 0.000 0.832 57 V CB 1.549 33.483 31.823 0.185 0.000 0.999 57 V HN 0.667 nan 8.190 nan 0.000 0.439 58 W N 5.143 126.564 121.300 0.200 0.000 2.251 58 W HA 0.128 4.788 4.660 0.000 0.000 0.327 58 W C 0.390 176.916 176.519 0.011 0.000 1.361 58 W CA -0.114 57.186 57.345 -0.074 0.000 1.234 58 W CB 0.626 29.881 29.460 -0.342 0.000 1.212 58 W HN 0.625 nan 8.180 nan 0.000 0.557 59 N N 4.724 123.288 118.700 -0.228 0.000 2.402 59 N HA 0.190 4.930 4.740 0.000 0.000 0.259 59 N C -0.371 175.214 175.510 0.125 0.000 1.167 59 N CA 0.156 53.163 53.050 -0.072 0.000 0.949 59 N CB 0.673 39.031 38.487 -0.215 0.000 1.212 59 N HN 0.351 nan 8.380 nan 0.000 0.493 60 A N 2.721 125.694 122.820 0.255 0.000 3.264 60 A HA 0.212 4.533 4.320 0.000 0.000 0.299 60 A C 1.036 178.654 177.584 0.057 0.000 1.272 60 A CA -0.359 51.832 52.037 0.256 0.000 1.030 60 A CB -0.496 18.728 19.000 0.374 0.000 1.102 60 A HN 0.626 nan 8.150 nan 0.000 0.615 61 S N -1.112 114.580 115.700 -0.013 0.000 2.526 61 S HA 0.186 4.657 4.470 0.000 0.000 0.220 61 S C 0.702 175.220 174.600 -0.136 0.000 1.017 61 S CA 0.616 58.760 58.200 -0.093 0.000 0.930 61 S CB -0.148 63.004 63.200 -0.079 0.000 0.856 61 S HN 0.866 nan 8.310 nan 0.000 0.497 62 T N -0.930 113.559 114.554 -0.109 0.000 2.903 62 T HA 0.630 4.980 4.350 0.000 0.000 0.299 62 T C -0.891 173.770 174.700 -0.064 0.000 1.093 62 T CA -0.724 61.297 62.100 -0.131 0.000 1.002 62 T CB 0.682 69.496 68.868 -0.089 0.000 1.127 62 T HN 0.050 nan 8.240 nan 0.000 0.488 63 Y N 3.059 123.325 120.300 -0.055 0.000 2.805 63 Y HA 0.249 4.799 4.550 0.000 0.000 0.337 63 Y C -1.354 174.480 175.900 -0.110 0.000 1.252 63 Y CA -1.230 56.837 58.100 -0.055 0.000 1.515 63 Y CB -0.087 38.358 38.460 -0.024 0.000 1.305 63 Y HN 0.551 nan 8.280 nan 0.000 0.600 64 P HA 0.073 nan 4.420 nan 0.000 0.279 64 P C -0.542 176.683 177.300 -0.124 0.000 1.282 64 P CA -0.532 62.448 63.100 -0.200 0.000 0.788 64 P CB 0.798 32.284 31.700 -0.356 0.000 1.139 65 N N 0.310 118.909 118.700 -0.168 0.000 2.381 65 N HA 0.062 4.803 4.740 0.000 0.000 0.241 65 N C 0.045 175.522 175.510 -0.055 0.000 1.279 65 N CA 0.392 53.388 53.050 -0.090 0.000 0.896 65 N CB -0.352 38.093 38.487 -0.070 0.000 1.118 65 N HN 0.409 nan 8.380 nan 0.000 0.438 66 N N -0.665 117.991 118.700 -0.073 0.000 2.492 66 N HA 0.309 5.049 4.740 0.000 0.000 0.289 66 N C -0.366 175.097 175.510 -0.080 0.000 1.133 66 N CA -0.686 52.312 53.050 -0.087 0.000 0.961 66 N CB 0.984 39.394 38.487 -0.129 0.000 1.186 66 N HN 0.410 nan 8.380 nan 0.000 0.493 67 c N 1.063 119.615 118.600 -0.080 0.000 2.727 67 c HA 0.008 4.579 4.570 0.000 0.000 0.401 67 c C 0.630 174.648 174.090 -0.119 0.000 1.294 67 c CA -0.424 55.846 56.329 -0.099 0.000 2.134 67 c CB -0.183 42.292 42.510 -0.059 0.000 2.724 67 c HN 0.521 nan 8.230 nan 0.000 0.677 68 Q N 2.751 122.422 119.800 -0.215 0.000 2.281 68 Q HA 0.188 4.529 4.340 0.000 0.000 0.267 68 Q C -0.023 175.980 176.000 0.005 0.000 1.053 68 Q CA 0.810 56.491 55.803 -0.203 0.000 0.905 68 Q CB 0.463 28.878 28.738 -0.538 0.000 1.195 68 Q HN 0.819 nan 8.270 nan 0.000 0.398 69 Q N 1.852 121.708 119.800 0.093 0.000 2.456 69 Q HA 0.318 4.658 4.340 0.000 0.000 0.284 69 Q C -0.979 175.199 176.000 0.296 0.000 1.061 69 Q CA -1.084 54.856 55.803 0.229 0.000 0.799 69 Q CB 1.042 29.869 28.738 0.149 0.000 1.445 69 Q HN 0.474 nan 8.270 nan 0.000 0.411 70 Y N 1.195 121.686 120.300 0.318 0.000 2.904 70 Y HA 0.170 4.720 4.550 0.000 0.000 0.336 70 Y C -1.047 175.034 175.900 0.303 0.000 1.263 70 Y CA 0.581 58.905 58.100 0.373 0.000 1.547 70 Y CB 0.631 39.450 38.460 0.599 0.000 1.272 70 Y HN 0.421 nan 8.280 nan 0.000 0.596 71 V N 6.920 126.546 119.914 -0.481 0.000 2.409 71 V HA 0.142 4.262 4.120 0.000 0.000 0.291 71 V C -0.578 175.206 176.094 -0.517 0.000 1.020 71 V CA -1.075 61.035 62.300 -0.316 0.000 0.848 71 V CB 1.499 33.231 31.823 -0.151 0.000 0.990 71 V HN 0.786 nan 8.190 nan 0.000 0.430 72 D N 4.234 124.542 120.400 -0.153 0.000 2.383 72 D HA 0.176 4.816 4.640 0.000 0.000 0.252 72 D C 0.609 176.952 176.300 0.072 0.000 1.166 72 D CA -0.056 53.975 54.000 0.051 0.000 0.879 72 D CB 0.873 41.855 40.800 0.302 0.000 1.164 72 D HN 0.805 nan 8.370 nan 0.000 0.462 73 E N 3.018 123.255 120.200 0.061 0.000 3.428 73 E HA 0.055 4.405 4.350 0.000 0.000 0.191 73 E C 0.549 177.151 176.600 0.004 0.000 0.980 73 E CA -0.417 56.016 56.400 0.055 0.000 1.305 73 E CB 0.296 30.002 29.700 0.010 0.000 1.105 73 E HN 0.412 nan 8.360 nan 0.000 0.455 74 Q N 0.009 119.793 119.800 -0.027 0.000 2.167 74 Q HA 0.006 4.346 4.340 0.000 0.000 0.202 74 Q C -0.242 175.381 176.000 -0.629 0.000 0.970 74 Q CA 1.064 56.600 55.803 -0.444 0.000 0.855 74 Q CB 0.136 28.387 28.738 -0.812 0.000 0.911 74 Q HN 0.338 nan 8.270 nan 0.000 0.438 75 F N 0.283 120.319 119.950 0.143 0.000 2.769 75 F HA 0.349 4.876 4.527 0.000 0.000 0.358 75 F C -2.266 173.627 175.800 0.155 0.000 1.285 75 F CA -2.955 55.112 58.000 0.112 0.000 1.199 75 F CB 1.130 40.206 39.000 0.127 0.000 1.558 75 F HN -0.181 nan 8.300 nan 0.000 0.583 76 P HA 0.283 nan 4.420 nan 0.000 0.271 76 P C 0.991 178.381 177.300 0.150 0.000 1.220 76 P CA 0.806 63.997 63.100 0.152 0.000 0.768 76 P CB 1.140 32.891 31.700 0.084 0.000 0.848 77 G N 2.460 111.329 108.800 0.115 0.000 2.284 77 G HA2 -0.300 3.661 3.960 0.000 0.000 0.247 77 G HA3 -0.300 3.661 3.960 0.000 0.000 0.247 77 G C 0.017 174.977 174.900 0.100 0.000 1.012 77 G CA -0.325 44.823 45.100 0.081 0.000 0.618 77 G HN 0.537 nan 8.290 nan 0.000 0.521 78 F N 3.272 123.220 119.950 -0.002 0.000 2.472 78 F HA 0.517 5.044 4.527 0.000 0.000 0.364 78 F C 1.680 177.419 175.800 -0.101 0.000 1.090 78 F CA 0.020 57.969 58.000 -0.085 0.000 1.188 78 F CB 1.230 40.160 39.000 -0.117 0.000 1.105 78 F HN 0.263 nan 8.300 nan 0.000 0.536 79 S N 3.194 118.375 115.700 -0.865 0.000 2.423 79 S HA -0.065 4.406 4.470 0.000 0.000 0.231 79 S C 2.035 176.199 174.600 -0.726 0.000 1.014 79 S CA 0.905 58.709 58.200 -0.660 0.000 0.965 79 S CB -0.880 62.017 63.200 -0.506 0.000 0.785 79 S HN 0.802 nan 8.310 nan 0.000 0.495 80 G N 1.222 109.186 108.800 -1.393 0.000 2.464 80 G HA2 -0.014 3.947 3.960 0.000 0.000 0.217 80 G HA3 -0.014 3.947 3.960 0.000 0.000 0.217 80 G C 1.666 176.847 174.900 0.470 0.000 1.138 80 G CA 0.847 45.580 45.100 -0.611 0.000 0.793 80 G HN 0.757 nan 8.290 nan 0.000 0.539 81 S N -0.168 115.760 115.700 0.379 0.000 2.468 81 S HA 0.132 4.602 4.470 0.000 0.000 0.226 81 S C 1.819 176.709 174.600 0.484 0.000 1.051 81 S CA 0.801 59.520 58.200 0.864 0.000 0.943 81 S CB 0.112 63.934 63.200 1.036 0.000 0.810 81 S HN 0.320 nan 8.310 nan 0.000 0.509 82 E N 1.616 121.917 120.200 0.169 0.000 2.285 82 E HA 0.083 4.434 4.350 0.000 0.000 0.194 82 E C 2.002 178.541 176.600 -0.103 0.000 0.997 82 E CA 0.841 57.271 56.400 0.050 0.000 0.845 82 E CB -0.295 29.404 29.700 -0.000 0.000 0.782 82 E HN 0.829 nan 8.360 nan 0.000 0.491 83 M N -1.803 117.636 119.600 -0.268 0.000 2.632 83 M HA -0.043 4.437 4.480 0.000 0.000 0.256 83 M C 0.680 176.548 176.300 -0.720 0.000 1.080 83 M CA 1.213 56.179 55.300 -0.557 0.000 1.084 83 M CB -0.234 31.921 32.600 -0.742 0.000 1.439 83 M HN 0.045 nan 8.290 nan 0.000 0.509 84 W N 0.454 121.699 121.300 -0.091 0.000 2.993 84 W HA 0.299 4.960 4.660 0.000 0.000 0.290 84 W C 0.414 176.847 176.519 -0.143 0.000 1.203 84 W CA -0.894 56.366 57.345 -0.141 0.000 1.582 84 W CB 0.012 29.420 29.460 -0.086 0.000 1.033 84 W HN 0.083 nan 8.180 nan 0.000 0.594 85 N N 1.700 120.441 118.700 0.068 0.000 2.444 85 N HA 0.121 4.861 4.740 0.000 0.000 0.255 85 N C -2.474 172.991 175.510 -0.074 0.000 1.255 85 N CA -1.392 51.665 53.050 0.012 0.000 0.933 85 N CB -0.251 38.248 38.487 0.020 0.000 1.143 85 N HN -0.360 nan 8.380 nan 0.000 0.453 86 P HA -0.005 nan 4.420 nan 0.000 0.260 86 P C 0.285 177.519 177.300 -0.109 0.000 1.172 86 P CA 0.149 63.182 63.100 -0.112 0.000 0.760 86 P CB 0.216 31.865 31.700 -0.086 0.000 0.773 87 N N 2.803 121.420 118.700 -0.138 0.000 2.280 87 N HA 0.018 4.758 4.740 0.000 0.000 0.192 87 N C 0.379 175.838 175.510 -0.086 0.000 1.109 87 N CA 0.427 53.408 53.050 -0.114 0.000 0.855 87 N CB 0.224 38.630 38.487 -0.135 0.000 0.974 87 N HN 0.174 nan 8.380 nan 0.000 0.482 88 R N 0.046 120.491 120.500 -0.092 0.000 2.923 88 R HA 0.302 4.642 4.340 0.000 0.000 0.252 88 R C -0.537 175.724 176.300 -0.065 0.000 1.130 88 R CA -0.735 55.325 56.100 -0.066 0.000 1.043 88 R CB 0.496 30.758 30.300 -0.064 0.000 1.205 88 R HN 0.011 nan 8.270 nan 0.000 0.495 89 E N 0.917 121.083 120.200 -0.057 0.000 2.481 89 E HA -0.020 4.330 4.350 0.000 0.000 0.263 89 E C 0.141 176.702 176.600 -0.065 0.000 0.992 89 E CA 0.338 56.705 56.400 -0.056 0.000 0.938 89 E CB 0.354 30.023 29.700 -0.053 0.000 0.933 89 E HN 0.248 nan 8.360 nan 0.000 0.453 90 M N 2.293 121.855 119.600 -0.064 0.000 2.277 90 M HA 0.395 4.875 4.480 0.000 0.000 0.350 90 M C 0.062 176.311 176.300 -0.084 0.000 1.180 90 M CA 0.104 55.359 55.300 -0.076 0.000 1.103 90 M CB 1.683 34.242 32.600 -0.069 0.000 1.577 90 M HN 0.531 nan 8.290 nan 0.000 0.459 91 S N 0.951 116.588 115.700 -0.105 0.000 2.558 91 S HA 0.201 4.671 4.470 0.000 0.000 0.277 91 S C -0.005 174.501 174.600 -0.157 0.000 1.143 91 S CA -0.712 57.420 58.200 -0.113 0.000 0.865 91 S CB 1.375 64.535 63.200 -0.067 0.000 1.102 91 S HN 0.851 nan 8.310 nan 0.000 0.454 92 E N 0.995 121.072 120.200 -0.205 0.000 2.204 92 E HA -0.101 4.249 4.350 0.000 0.000 0.194 92 E C -0.190 176.326 176.600 -0.141 0.000 0.989 92 E CA 0.797 57.046 56.400 -0.251 0.000 0.824 92 E CB 0.060 29.594 29.700 -0.276 0.000 0.756 92 E HN 0.587 nan 8.360 nan 0.000 0.477 93 D N 0.081 120.439 120.400 -0.070 0.000 2.470 93 D HA -0.021 4.619 4.640 0.000 0.000 0.226 93 D C 0.020 176.403 176.300 0.139 0.000 1.196 93 D CA -0.207 53.796 54.000 0.006 0.000 0.979 93 D CB -0.096 40.734 40.800 0.050 0.000 1.059 93 D HN 0.136 nan 8.370 nan 0.000 0.515 94 c N 2.441 121.082 118.600 0.067 0.000 3.772 94 c HA 0.376 4.946 4.570 0.000 0.000 0.293 94 c C 0.513 174.666 174.090 0.105 0.000 1.659 94 c CA -0.717 55.715 56.329 0.173 0.000 1.810 94 c CB -1.267 41.263 42.510 0.034 0.000 3.059 94 c HN 0.423 nan 8.230 nan 0.000 0.617 95 L N 2.621 123.642 121.223 -0.337 0.000 2.387 95 L HA 0.439 4.779 4.340 0.000 0.000 0.267 95 L C -0.912 175.226 176.870 -1.220 0.000 1.197 95 L CA 0.406 54.813 54.840 -0.721 0.000 1.070 95 L CB -0.559 40.939 42.059 -0.935 0.000 1.349 95 L HN 0.364 nan 8.230 nan 0.000 0.422 96 Y N 2.057 122.217 120.300 -0.233 0.000 2.605 96 Y HA 0.663 5.213 4.550 0.000 0.000 0.343 96 Y C -0.105 175.943 175.900 0.247 0.000 1.036 96 Y CA -1.290 56.757 58.100 -0.087 0.000 1.065 96 Y CB 1.934 40.349 38.460 -0.075 0.000 1.288 96 Y HN 0.214 nan 8.280 nan 0.000 0.481 97 L N -0.142 121.252 121.223 0.284 0.000 2.333 97 L HA 0.773 5.113 4.340 0.000 0.000 0.263 97 L C -1.235 175.667 176.870 0.054 0.000 1.014 97 L CA -1.130 53.801 54.840 0.151 0.000 0.820 97 L CB 1.775 43.809 42.059 -0.042 0.000 1.352 97 L HN 0.477 nan 8.230 nan 0.000 0.421 98 N N 1.548 120.294 118.700 0.076 0.000 2.272 98 N HA 0.751 5.491 4.740 0.000 0.000 0.305 98 N C -1.273 174.173 175.510 -0.107 0.000 1.103 98 N CA -0.256 52.762 53.050 -0.054 0.000 0.791 98 N CB 2.696 41.166 38.487 -0.027 0.000 1.356 98 N HN 0.669 nan 8.380 nan 0.000 0.486 99 I N -0.083 120.328 120.570 -0.265 0.000 2.582 99 I HA 0.448 4.618 4.170 0.000 0.000 0.292 99 I C -0.883 175.143 176.117 -0.151 0.000 1.066 99 I CA -0.758 60.496 61.300 -0.076 0.000 1.053 99 I CB 2.450 40.378 38.000 -0.121 0.000 1.241 99 I HN 0.218 nan 8.210 nan 0.000 0.421 100 W N 5.086 126.530 121.300 0.241 0.000 2.532 100 W HA 0.643 5.303 4.660 0.000 0.000 0.321 100 W C -1.170 175.497 176.519 0.247 0.000 1.037 100 W CA -0.734 56.743 57.345 0.220 0.000 1.220 100 W CB 2.281 31.837 29.460 0.160 0.000 1.361 100 W HN 0.085 nan 8.180 nan 0.000 0.468 101 V N 4.520 124.717 119.914 0.472 0.000 2.588 101 V HA 0.333 4.453 4.120 0.000 0.000 0.304 101 V C -1.986 174.306 176.094 0.331 0.000 1.042 101 V CA -2.347 60.198 62.300 0.407 0.000 0.877 101 V CB 2.129 34.267 31.823 0.524 0.000 0.996 101 V HN 0.242 nan 8.190 nan 0.000 0.425 102 P HA 0.136 nan 4.420 nan 0.000 0.271 102 P C -0.450 176.979 177.300 0.216 0.000 1.216 102 P CA 0.067 63.313 63.100 0.245 0.000 0.776 102 P CB 1.071 32.895 31.700 0.206 0.000 0.881 103 S N 2.934 118.755 115.700 0.202 0.000 2.429 103 S HA 0.548 5.018 4.470 0.000 0.000 0.302 103 S C -2.102 172.589 174.600 0.150 0.000 1.115 103 S CA -1.394 56.903 58.200 0.162 0.000 1.095 103 S CB -0.276 63.005 63.200 0.136 0.000 0.987 103 S HN 0.283 nan 8.310 nan 0.000 0.474 104 P HA 0.339 nan 4.420 nan 0.000 0.282 104 P C -0.743 176.634 177.300 0.128 0.000 1.259 104 P CA -0.851 62.317 63.100 0.114 0.000 0.826 104 P CB 0.483 32.235 31.700 0.087 0.000 1.064 105 R N 2.261 122.843 120.500 0.137 0.000 2.501 105 R HA 0.048 4.388 4.340 0.000 0.000 0.319 105 R C -1.594 174.777 176.300 0.118 0.000 0.913 105 R CA -0.735 55.456 56.100 0.152 0.000 1.104 105 R CB -0.412 29.979 30.300 0.151 0.000 0.901 105 R HN 0.420 nan 8.270 nan 0.000 0.407 106 P HA 0.029 nan 4.420 nan 0.000 0.274 106 P C -0.229 177.115 177.300 0.074 0.000 1.260 106 P CA -0.299 62.855 63.100 0.091 0.000 0.793 106 P CB 0.859 32.616 31.700 0.095 0.000 1.048 107 K N -0.098 120.333 120.400 0.052 0.000 2.017 107 K HA 0.022 4.342 4.320 0.000 0.000 0.207 107 K C 0.767 177.381 176.600 0.025 0.000 1.035 107 K CA 1.332 57.640 56.287 0.035 0.000 0.947 107 K CB -0.277 32.238 32.500 0.024 0.000 0.749 107 K HN 0.528 nan 8.250 nan 0.000 0.443 108 S N 0.946 116.657 115.700 0.018 0.000 2.312 108 S HA 0.158 4.629 4.470 0.000 0.000 0.173 108 S C -0.704 173.904 174.600 0.013 0.000 1.488 108 S CA -0.762 57.441 58.200 0.005 0.000 1.239 108 S CB 1.103 64.290 63.200 -0.021 0.000 1.215 108 S HN 0.144 nan 8.310 nan 0.000 0.438 109 T N 2.208 116.783 114.554 0.034 0.000 2.912 109 T HA 0.516 4.866 4.350 0.000 0.000 0.280 109 T C 0.239 174.960 174.700 0.035 0.000 0.989 109 T CA -0.046 62.077 62.100 0.037 0.000 0.995 109 T CB 0.908 69.811 68.868 0.058 0.000 1.077 109 T HN 0.632 nan 8.240 nan 0.000 0.531 110 T N 2.372 116.941 114.554 0.025 0.000 2.905 110 T HA 0.255 4.606 4.350 0.000 0.000 0.299 110 T C -0.263 174.466 174.700 0.049 0.000 1.024 110 T CA -0.173 61.939 62.100 0.019 0.000 1.151 110 T CB 0.102 68.967 68.868 -0.005 0.000 0.987 110 T HN 0.395 nan 8.240 nan 0.000 0.535 111 V N 5.380 125.328 119.914 0.058 0.000 2.459 111 V HA 0.463 4.583 4.120 0.000 0.000 0.295 111 V C 0.048 176.203 176.094 0.100 0.000 1.029 111 V CA -0.737 61.622 62.300 0.098 0.000 0.874 111 V CB 1.507 33.394 31.823 0.106 0.000 0.985 111 V HN 0.840 nan 8.190 nan 0.000 0.438 112 M N 4.695 124.376 119.600 0.136 0.000 2.243 112 M HA 0.544 5.024 4.480 0.000 0.000 0.324 112 M C -1.102 175.442 176.300 0.406 0.000 1.031 112 M CA -0.645 54.752 55.300 0.161 0.000 0.949 112 M CB 2.133 34.689 32.600 -0.073 0.000 1.615 112 M HN 0.369 nan 8.290 nan 0.000 0.430 113 V N 3.054 123.243 119.914 0.459 0.000 2.347 113 V HA 0.303 4.423 4.120 0.000 0.000 0.280 113 V C -0.652 175.743 176.094 0.503 0.000 1.021 113 V CA -0.663 61.890 62.300 0.423 0.000 0.847 113 V CB 1.169 33.105 31.823 0.188 0.000 0.990 113 V HN 0.866 nan 8.190 nan 0.000 0.444 114 W N 6.871 128.274 121.300 0.171 0.000 2.316 114 W HA 0.622 5.283 4.660 0.000 0.000 0.311 114 W C -1.262 175.147 176.519 -0.183 0.000 1.217 114 W CA -0.754 56.417 57.345 -0.290 0.000 1.199 114 W CB 1.136 30.505 29.460 -0.151 0.000 1.202 114 W HN 0.452 nan 8.180 nan 0.000 0.528 115 I N 9.177 128.976 120.570 -1.284 0.000 2.420 115 I HA 0.056 4.226 4.170 0.000 0.000 0.282 115 I C -0.272 174.999 176.117 -1.410 0.000 1.019 115 I CA -1.137 59.527 61.300 -1.059 0.000 1.130 115 I CB 0.612 38.223 38.000 -0.648 0.000 1.262 115 I HN 0.303 nan 8.210 nan 0.000 0.454 116 Y N 4.644 124.439 120.300 -0.841 0.000 2.683 116 Y HA 0.512 5.062 4.550 0.000 0.000 0.340 116 Y C 0.769 176.562 175.900 -0.180 0.000 1.245 116 Y CA -0.584 57.277 58.100 -0.399 0.000 1.485 116 Y CB -0.097 38.399 38.460 0.060 0.000 1.328 116 Y HN 0.539 nan 8.280 nan 0.000 0.603 117 G N -0.081 108.776 108.800 0.096 0.000 2.606 117 G HA2 0.492 4.452 3.960 0.000 0.000 0.262 117 G HA3 0.492 4.452 3.960 0.000 0.000 0.262 117 G C 0.415 175.301 174.900 -0.022 0.000 1.394 117 G CA -0.917 44.162 45.100 -0.036 0.000 1.044 117 G HN 1.778 nan 8.290 nan 0.000 0.553 118 G N -2.908 105.729 108.800 -0.272 0.000 2.157 118 G HA2 0.389 4.349 3.960 0.000 0.000 0.114 118 G HA3 0.389 4.349 3.960 0.000 0.000 0.114 118 G C 1.101 175.547 174.900 -0.755 0.000 1.041 118 G CA 0.733 45.545 45.100 -0.479 0.000 0.714 118 G HN 2.387 nan 8.290 nan 0.000 0.492 119 G N -0.736 107.631 108.800 -0.722 0.000 2.153 119 G HA2 -0.103 3.858 3.960 0.000 0.000 0.252 119 G HA3 -0.103 3.858 3.960 0.000 0.000 0.252 119 G C 0.920 175.552 174.900 -0.447 0.000 0.994 119 G CA 0.830 45.304 45.100 -1.043 0.000 0.698 119 G HN 1.775 nan 8.290 nan 0.000 0.521 120 F N -3.356 116.532 119.950 -0.103 0.000 2.825 120 F HA -0.316 4.212 4.527 0.000 0.000 0.358 120 F C 1.474 177.393 175.800 0.198 0.000 0.639 120 F CA 2.252 60.294 58.000 0.070 0.000 1.153 120 F CB -2.028 36.864 39.000 -0.179 0.000 1.610 120 F HN 0.957 nan 8.300 nan 0.000 0.305 121 Y N -0.579 119.791 120.300 0.116 0.000 2.481 121 Y HA 0.660 5.211 4.550 0.000 0.000 0.247 121 Y C 0.581 176.580 175.900 0.166 0.000 1.151 121 Y CA 0.322 58.512 58.100 0.150 0.000 1.238 121 Y CB 0.110 38.582 38.460 0.020 0.000 1.179 121 Y HN 0.113 nan 8.280 nan 0.000 0.524 122 S N -1.057 114.412 115.700 -0.385 0.000 2.683 122 S HA 0.844 5.314 4.470 0.000 0.000 0.269 122 S C -0.278 174.172 174.600 -0.249 0.000 1.165 122 S CA -0.492 57.531 58.200 -0.295 0.000 0.840 122 S CB 1.304 64.259 63.200 -0.409 0.000 1.169 122 S HN 1.304 nan 8.310 nan 0.000 0.490 123 G N -0.370 108.254 108.800 -0.293 0.000 2.375 123 G HA2 0.446 4.406 3.960 0.000 0.000 0.663 123 G HA3 0.446 4.406 3.960 0.000 0.000 0.663 123 G C -1.064 173.261 174.900 -0.958 0.000 1.391 123 G CA -0.258 44.551 45.100 -0.486 0.000 0.949 123 G HN 1.476 nan 8.290 nan 0.000 0.646 124 S N -1.177 113.951 115.700 -0.952 0.000 2.556 124 S HA 0.711 5.181 4.470 0.000 0.000 0.271 124 S C 0.955 175.319 174.600 -0.392 0.000 1.135 124 S CA 0.078 57.841 58.200 -0.729 0.000 0.858 124 S CB 1.792 64.777 63.200 -0.359 0.000 1.114 124 S HN 1.944 nan 8.310 nan 0.000 0.468 125 S N -0.370 115.291 115.700 -0.066 0.000 2.558 125 S HA -0.030 4.440 4.470 0.000 0.000 0.217 125 S C 1.239 175.891 174.600 0.086 0.000 0.975 125 S CA 0.778 59.161 58.200 0.305 0.000 0.912 125 S CB -0.617 62.812 63.200 0.381 0.000 0.776 125 S HN 0.857 nan 8.310 nan 0.000 0.526 126 T N -0.068 114.331 114.554 -0.259 0.000 3.145 126 T HA 0.432 4.782 4.350 0.000 0.000 0.255 126 T C 0.366 174.728 174.700 -0.563 0.000 1.039 126 T CA -0.576 61.048 62.100 -0.793 0.000 0.928 126 T CB -0.491 67.839 68.868 -0.897 0.000 1.029 126 T HN 0.290 nan 8.240 nan 0.000 0.554 127 L N 2.063 123.039 121.223 -0.412 0.000 2.426 127 L HA 0.230 4.570 4.340 0.000 0.000 0.271 127 L C 1.197 177.801 176.870 -0.443 0.000 1.169 127 L CA -0.650 53.881 54.840 -0.514 0.000 0.836 127 L CB 0.469 42.010 42.059 -0.863 0.000 1.112 127 L HN 0.077 nan 8.230 nan 0.000 0.465 128 D N 1.352 121.535 120.400 -0.362 0.000 2.149 128 D HA -0.168 4.472 4.640 0.000 0.000 0.194 128 D C 1.976 178.075 176.300 -0.336 0.000 1.001 128 D CA 1.455 55.304 54.000 -0.252 0.000 0.849 128 D CB -0.149 40.523 40.800 -0.213 0.000 0.939 128 D HN 0.535 nan 8.370 nan 0.000 0.449 129 V N -1.435 118.138 119.914 -0.568 0.000 2.913 129 V HA -0.168 3.952 4.120 0.000 0.000 0.260 129 V C 1.300 176.964 176.094 -0.716 0.000 1.098 129 V CA 1.107 63.043 62.300 -0.607 0.000 1.121 129 V CB -1.052 30.335 31.823 -0.726 0.000 0.714 129 V HN 0.066 nan 8.190 nan 0.000 0.487 130 Y N 0.006 119.824 120.300 -0.803 0.000 2.507 130 Y HA 0.435 4.986 4.550 0.000 0.000 0.254 130 Y C 1.087 176.555 175.900 -0.720 0.000 1.171 130 Y CA -1.783 55.506 58.100 -1.352 0.000 1.238 130 Y CB -1.024 36.934 38.460 -0.836 0.000 1.148 130 Y HN 0.271 nan 8.280 nan 0.000 0.525 131 N N 1.659 120.218 118.700 -0.235 0.000 2.417 131 N HA -0.040 4.700 4.740 0.000 0.000 0.272 131 N C 1.364 176.651 175.510 -0.371 0.000 1.304 131 N CA 0.669 53.633 53.050 -0.144 0.000 0.906 131 N CB 1.012 39.510 38.487 0.017 0.000 1.135 131 N HN 0.474 nan 8.380 nan 0.000 0.483 132 G N 3.452 111.503 108.800 -1.249 0.000 2.776 132 G HA2 -0.200 3.760 3.960 0.000 0.000 0.209 132 G HA3 -0.200 3.760 3.960 0.000 0.000 0.209 132 G C 1.400 175.660 174.900 -1.067 0.000 1.145 132 G CA 0.405 44.796 45.100 -1.181 0.000 0.791 132 G HN 0.749 nan 8.290 nan 0.000 0.530 133 K N -0.362 119.347 120.400 -1.152 0.000 2.057 133 K HA -0.124 4.196 4.320 0.000 0.000 0.206 133 K C 1.822 178.172 176.600 -0.417 0.000 1.050 133 K CA 1.087 56.938 56.287 -0.726 0.000 0.935 133 K CB -0.581 31.554 32.500 -0.609 0.000 0.715 133 K HN 0.379 nan 8.250 nan 0.000 0.439 134 Y N 1.472 121.706 120.300 -0.110 0.000 2.114 134 Y HA -0.189 4.361 4.550 0.000 0.000 0.284 134 Y C 2.489 178.380 175.900 -0.015 0.000 1.143 134 Y CA 0.712 58.801 58.100 -0.017 0.000 1.135 134 Y CB -0.545 37.881 38.460 -0.057 0.000 0.980 134 Y HN 0.008 nan 8.280 nan 0.000 0.499 135 L N 0.527 121.784 121.223 0.058 0.000 2.056 135 L HA -0.090 4.250 4.340 0.000 0.000 0.207 135 L C 2.342 179.216 176.870 0.006 0.000 1.078 135 L CA 1.839 56.664 54.840 -0.025 0.000 0.749 135 L CB -1.296 40.669 42.059 -0.156 0.000 0.901 135 L HN 0.170 nan 8.230 nan 0.000 0.433 136 A N -1.169 121.662 122.820 0.018 0.000 1.865 136 A HA -0.307 4.013 4.320 0.000 0.000 0.217 136 A C 2.353 180.020 177.584 0.138 0.000 1.191 136 A CA 2.019 54.120 52.037 0.107 0.000 0.623 136 A CB -1.312 17.803 19.000 0.190 0.000 0.826 136 A HN 0.647 nan 8.150 nan 0.000 0.444 137 Y N 0.913 121.226 120.300 0.022 0.000 2.070 137 Y HA -0.224 4.326 4.550 0.000 0.000 0.279 137 Y C 2.761 178.686 175.900 0.042 0.000 1.134 137 Y CA 2.571 60.691 58.100 0.034 0.000 1.113 137 Y CB -0.666 37.798 38.460 0.006 0.000 0.981 137 Y HN 0.316 nan 8.280 nan 0.000 0.487 138 T N 0.518 114.973 114.554 -0.165 0.000 2.635 138 T HA -0.199 4.152 4.350 0.000 0.000 0.267 138 T C 1.326 175.925 174.700 -0.169 0.000 1.040 138 T CA 1.870 63.819 62.100 -0.251 0.000 1.156 138 T CB -0.230 68.608 68.868 -0.050 0.000 0.863 138 T HN 0.367 nan 8.240 nan 0.000 0.430 139 E N 0.388 120.553 120.200 -0.058 0.000 2.474 139 E HA 0.140 4.490 4.350 0.000 0.000 0.195 139 E C 0.116 176.716 176.600 -0.000 0.000 1.039 139 E CA 0.005 56.402 56.400 -0.004 0.000 0.881 139 E CB 0.094 29.803 29.700 0.015 0.000 0.970 139 E HN 0.571 nan 8.360 nan 0.000 0.486 140 E N 0.001 120.195 120.200 -0.010 0.000 2.271 140 E HA -0.169 4.182 4.350 0.000 0.000 0.223 140 E C -0.443 176.190 176.600 0.056 0.000 1.223 140 E CA 0.451 56.868 56.400 0.028 0.000 0.704 140 E CB -1.371 28.339 29.700 0.015 0.000 1.194 140 E HN 0.143 nan 8.360 nan 0.000 0.375 141 V N -3.468 116.490 119.914 0.074 0.000 3.046 141 V HA 0.737 4.857 4.120 0.000 0.000 0.316 141 V C 0.419 176.602 176.094 0.148 0.000 1.104 141 V CA -1.069 61.283 62.300 0.088 0.000 1.006 141 V CB 2.234 34.091 31.823 0.056 0.000 1.058 141 V HN -0.049 nan 8.190 nan 0.000 0.440 142 V N 3.194 123.205 119.914 0.162 0.000 2.432 142 V HA 0.420 4.540 4.120 0.000 0.000 0.271 142 V C -0.078 176.165 176.094 0.247 0.000 1.046 142 V CA -0.112 62.321 62.300 0.222 0.000 0.945 142 V CB 0.919 32.861 31.823 0.200 0.000 0.992 142 V HN 0.784 nan 8.190 nan 0.000 0.471 143 L N 6.625 128.056 121.223 0.347 0.000 2.287 143 L HA 0.649 4.989 4.340 0.000 0.000 0.287 143 L C -0.521 176.668 176.870 0.532 0.000 1.022 143 L CA 0.017 55.111 54.840 0.424 0.000 0.814 143 L CB 1.597 43.897 42.059 0.401 0.000 1.217 143 L HN 0.463 nan 8.230 nan 0.000 0.420 144 V N 3.512 123.698 119.914 0.453 0.000 2.459 144 V HA 0.580 4.700 4.120 0.000 0.000 0.295 144 V C -0.255 176.124 176.094 0.474 0.000 1.029 144 V CA -0.526 62.007 62.300 0.389 0.000 0.874 144 V CB 1.840 33.804 31.823 0.234 0.000 0.985 144 V HN 0.853 nan 8.190 nan 0.000 0.438 145 S N 5.369 121.372 115.700 0.504 0.000 2.449 145 S HA 0.820 5.290 4.470 0.000 0.000 0.310 145 S C -0.643 174.150 174.600 0.321 0.000 1.096 145 S CA -0.801 57.698 58.200 0.498 0.000 1.095 145 S CB 1.503 65.104 63.200 0.668 0.000 1.007 145 S HN 0.625 nan 8.310 nan 0.000 0.474 146 L N 0.874 122.221 121.223 0.207 0.000 2.544 146 L HA 0.975 5.315 4.340 0.000 0.000 0.256 146 L C 0.151 177.190 176.870 0.282 0.000 1.097 146 L CA -0.676 54.242 54.840 0.130 0.000 0.812 146 L CB 0.076 42.080 42.059 -0.093 0.000 1.440 146 L HN 0.840 nan 8.230 nan 0.000 0.496 147 S N -1.723 114.203 115.700 0.376 0.000 2.661 147 S HA 0.889 5.359 4.470 0.000 0.000 0.285 147 S C -1.253 173.621 174.600 0.456 0.000 1.138 147 S CA -0.552 57.918 58.200 0.450 0.000 0.855 147 S CB 1.508 64.984 63.200 0.461 0.000 1.136 147 S HN 1.129 nan 8.310 nan 0.000 0.484 148 Y N -1.738 118.704 120.300 0.236 0.000 2.592 148 Y HA 0.702 5.252 4.550 0.000 0.000 0.334 148 Y C -0.738 175.289 175.900 0.212 0.000 1.136 148 Y CA -1.407 56.801 58.100 0.179 0.000 1.042 148 Y CB 0.734 39.245 38.460 0.084 0.000 1.325 148 Y HN 0.750 nan 8.280 nan 0.000 0.457 149 R N 1.782 122.404 120.500 0.203 0.000 2.590 149 R HA 0.525 4.865 4.340 0.000 0.000 0.274 149 R C -0.281 176.159 176.300 0.233 0.000 1.061 149 R CA -0.157 56.017 56.100 0.123 0.000 1.081 149 R CB 0.880 31.221 30.300 0.069 0.000 0.984 149 R HN 0.695 nan 8.270 nan 0.000 0.448 150 V N -0.313 119.766 119.914 0.275 0.000 3.103 150 V HA 0.896 5.017 4.120 0.000 0.000 0.318 150 V C 0.727 177.125 176.094 0.507 0.000 1.114 150 V CA -0.104 62.474 62.300 0.463 0.000 1.020 150 V CB 1.238 33.241 31.823 0.300 0.000 1.085 150 V HN 0.982 nan 8.190 nan 0.000 0.446 151 G N 0.984 110.126 108.800 0.569 0.000 2.552 151 G HA2 0.012 3.973 3.960 0.000 0.000 0.265 151 G HA3 0.012 3.973 3.960 0.000 0.000 0.265 151 G C 1.025 176.061 174.900 0.228 0.000 1.234 151 G CA 0.997 46.370 45.100 0.456 0.000 0.944 151 G HN 2.203 nan 8.290 nan 0.000 0.568 152 A N -1.210 121.422 122.820 -0.313 0.000 1.940 152 A HA 0.190 4.510 4.320 0.000 0.000 0.219 152 A C 2.250 179.638 177.584 -0.328 0.000 1.176 152 A CA 2.663 54.173 52.037 -0.877 0.000 0.631 152 A CB -0.554 17.789 19.000 -1.095 0.000 0.814 152 A HN 1.005 nan 8.150 nan 0.000 0.446 153 F N 0.038 120.033 119.950 0.075 0.000 2.216 153 F HA -0.014 4.513 4.527 0.000 0.000 0.300 153 F C 2.457 178.252 175.800 -0.007 0.000 1.085 153 F CA 1.097 59.116 58.000 0.032 0.000 1.326 153 F CB -0.694 38.276 39.000 -0.051 0.000 1.027 153 F HN 0.285 nan 8.300 nan 0.000 0.497 154 G N -2.254 106.596 108.800 0.085 0.000 2.709 154 G HA2 0.050 4.010 3.960 0.000 0.000 0.208 154 G HA3 0.050 4.010 3.960 0.000 0.000 0.208 154 G C 0.835 175.242 174.900 -0.822 0.000 1.129 154 G CA 0.167 45.032 45.100 -0.392 0.000 0.793 154 G HN 0.344 nan 8.290 nan 0.000 0.524 155 F N -0.661 119.362 119.950 0.122 0.000 2.915 155 F HA 0.427 4.955 4.527 0.000 0.000 0.347 155 F C 0.336 176.175 175.800 0.065 0.000 1.104 155 F CA -1.008 57.046 58.000 0.090 0.000 1.126 155 F CB 0.300 39.369 39.000 0.114 0.000 1.145 155 F HN -0.124 nan 8.300 nan 0.000 0.541 156 L N 2.438 123.640 121.223 -0.035 0.000 2.667 156 L HA 0.269 4.609 4.340 0.000 0.000 0.278 156 L C 0.289 177.111 176.870 -0.079 0.000 1.217 156 L CA 0.331 55.038 54.840 -0.220 0.000 0.935 156 L CB 0.135 41.754 42.059 -0.734 0.000 1.193 156 L HN 0.200 nan 8.230 nan 0.000 0.493 157 A N 7.205 130.035 122.820 0.017 0.000 2.360 157 A HA 0.593 4.914 4.320 0.000 0.000 0.309 157 A C -0.740 176.858 177.584 0.023 0.000 1.311 157 A CA -0.483 51.579 52.037 0.042 0.000 0.805 157 A CB 0.375 19.428 19.000 0.089 0.000 1.144 157 A HN 0.671 nan 8.150 nan 0.000 0.486 158 L N 3.589 124.813 121.223 0.001 0.000 2.371 158 L HA 0.257 4.598 4.340 0.000 0.000 0.262 158 L C 0.013 176.917 176.870 0.056 0.000 1.054 158 L CA -0.697 54.149 54.840 0.010 0.000 0.924 158 L CB 0.441 42.473 42.059 -0.046 0.000 1.295 158 L HN 0.867 nan 8.230 nan 0.000 0.441 159 H N 1.927 120.996 119.070 -0.002 0.000 2.848 159 H HA 0.411 4.967 4.556 0.000 0.000 0.341 159 H C 1.024 176.358 175.328 0.009 0.000 1.060 159 H CA 1.205 57.260 56.048 0.011 0.000 1.444 159 H CB 1.106 30.880 29.762 0.019 0.000 1.446 159 H HN 0.666 nan 8.280 nan 0.000 0.583 160 G N 2.691 111.179 108.800 -0.521 0.000 2.493 160 G HA2 -0.283 3.677 3.960 0.000 0.000 0.206 160 G HA3 -0.283 3.677 3.960 0.000 0.000 0.206 160 G C 0.606 175.414 174.900 -0.154 0.000 1.109 160 G CA 0.113 45.011 45.100 -0.336 0.000 0.689 160 G HN 0.844 nan 8.290 nan 0.000 0.516 161 S N -0.013 115.636 115.700 -0.086 0.000 2.576 161 S HA 0.445 4.916 4.470 0.000 0.000 0.272 161 S C 0.989 175.578 174.600 -0.020 0.000 1.352 161 S CA 1.015 59.194 58.200 -0.036 0.000 1.021 161 S CB 1.370 64.560 63.200 -0.017 0.000 0.887 161 S HN 0.447 nan 8.310 nan 0.000 0.542 162 Q N 0.415 120.216 119.800 0.001 0.000 2.189 162 Q HA 0.289 4.629 4.340 0.000 0.000 0.223 162 Q C 1.102 177.124 176.000 0.037 0.000 0.828 162 Q CA 0.225 56.039 55.803 0.018 0.000 0.967 162 Q CB 0.323 29.070 28.738 0.015 0.000 1.139 162 Q HN 0.593 nan 8.270 nan 0.000 0.497 163 E N -0.452 119.773 120.200 0.042 0.000 2.140 163 E HA 0.215 4.566 4.350 0.000 0.000 0.191 163 E C -0.161 176.498 176.600 0.098 0.000 0.973 163 E CA 0.844 57.286 56.400 0.071 0.000 0.829 163 E CB 0.482 30.227 29.700 0.075 0.000 0.781 163 E HN 0.122 nan 8.360 nan 0.000 0.466 164 A N 1.863 124.715 122.820 0.052 0.000 3.216 164 A HA 0.320 4.640 4.320 0.000 0.000 0.321 164 A C -2.101 175.490 177.584 0.011 0.000 1.042 164 A CA -1.006 51.047 52.037 0.026 0.000 0.838 164 A CB 0.690 19.611 19.000 -0.132 0.000 1.136 164 A HN -0.112 nan 8.150 nan 0.000 0.483 165 P HA 0.128 nan 4.420 nan 0.000 0.229 165 P C 0.895 178.251 177.300 0.093 0.000 1.160 165 P CA 1.635 64.780 63.100 0.074 0.000 0.777 165 P CB 0.147 31.895 31.700 0.080 0.000 0.814 166 G N 0.851 109.686 108.800 0.057 0.000 2.733 166 G HA2 -0.183 3.777 3.960 0.000 0.000 0.686 166 G HA3 -0.183 3.777 3.960 0.000 0.000 0.686 166 G C -0.032 174.894 174.900 0.043 0.000 1.373 166 G CA -0.246 44.895 45.100 0.067 0.000 0.838 166 G HN 0.143 nan 8.290 nan 0.000 0.588 167 N N -2.502 116.229 118.700 0.053 0.000 2.909 167 N HA -0.281 4.459 4.740 0.000 0.000 0.242 167 N C 1.898 177.300 175.510 -0.180 0.000 0.975 167 N CA 2.546 55.571 53.050 -0.041 0.000 0.921 167 N CB -1.701 36.693 38.487 -0.156 0.000 1.112 167 N HN 1.879 nan 8.380 nan 0.000 0.581 168 V N -2.602 117.188 119.914 -0.206 0.000 2.490 168 V HA -0.009 4.111 4.120 0.000 0.000 0.250 168 V C 2.369 178.337 176.094 -0.210 0.000 1.061 168 V CA 2.354 64.564 62.300 -0.150 0.000 1.064 168 V CB -1.043 30.738 31.823 -0.070 0.000 0.670 168 V HN 0.285 nan 8.190 nan 0.000 0.461 169 G N 0.494 108.960 108.800 -0.556 0.000 2.422 169 G HA2 -0.165 3.795 3.960 0.000 0.000 0.218 169 G HA3 -0.165 3.795 3.960 0.000 0.000 0.218 169 G C 1.560 176.453 174.900 -0.012 0.000 1.146 169 G CA 1.207 46.100 45.100 -0.346 0.000 0.769 169 G HN 0.537 nan 8.290 nan 0.000 0.547 170 L N -0.209 120.979 121.223 -0.058 0.000 2.093 170 L HA 0.070 4.410 4.340 0.000 0.000 0.208 170 L C 2.831 179.753 176.870 0.087 0.000 1.085 170 L CA 0.380 55.147 54.840 -0.121 0.000 0.755 170 L CB -0.274 41.382 42.059 -0.671 0.000 0.904 170 L HN 0.179 nan 8.230 nan 0.000 0.435 171 L N -0.667 120.595 121.223 0.065 0.000 2.093 171 L HA -0.204 4.136 4.340 0.000 0.000 0.208 171 L C 2.223 179.190 176.870 0.161 0.000 1.085 171 L CA 0.869 55.810 54.840 0.169 0.000 0.755 171 L CB -0.679 41.458 42.059 0.130 0.000 0.904 171 L HN 0.268 nan 8.230 nan 0.000 0.435 172 D N 0.162 120.653 120.400 0.152 0.000 2.116 172 D HA -0.239 4.401 4.640 0.000 0.000 0.193 172 D C 2.262 178.682 176.300 0.201 0.000 0.998 172 D CA 1.409 55.568 54.000 0.266 0.000 0.836 172 D CB -0.287 40.693 40.800 0.300 0.000 0.951 172 D HN 0.449 nan 8.370 nan 0.000 0.449 173 Q N 0.047 119.919 119.800 0.119 0.000 2.084 173 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 173 Q C 2.301 178.247 176.000 -0.089 0.000 0.978 173 Q CA 0.957 56.753 55.803 -0.013 0.000 0.844 173 Q CB -0.102 28.646 28.738 0.017 0.000 0.898 173 Q HN 0.222 nan 8.270 nan 0.000 0.426 174 R N 0.676 121.205 120.500 0.050 0.000 2.096 174 R HA -0.126 4.214 4.340 0.000 0.000 0.235 174 R C 2.174 178.469 176.300 -0.007 0.000 1.127 174 R CA 1.360 57.459 56.100 -0.002 0.000 0.968 174 R CB -0.125 30.271 30.300 0.159 0.000 0.861 174 R HN 0.263 nan 8.270 nan 0.000 0.440 175 M N 0.060 119.691 119.600 0.051 0.000 2.159 175 M HA -0.089 4.391 4.480 0.000 0.000 0.263 175 M C 2.074 178.336 176.300 -0.064 0.000 1.063 175 M CA 1.897 57.255 55.300 0.096 0.000 1.110 175 M CB 0.006 32.765 32.600 0.265 0.000 1.374 175 M HN 0.293 nan 8.290 nan 0.000 0.411 176 A N 0.278 122.816 122.820 -0.469 0.000 1.902 176 A HA -0.116 4.204 4.320 0.000 0.000 0.217 176 A C 1.998 179.446 177.584 -0.226 0.000 1.181 176 A CA 1.501 53.045 52.037 -0.821 0.000 0.623 176 A CB -1.007 17.277 19.000 -1.192 0.000 0.818 176 A HN 0.569 nan 8.150 nan 0.000 0.443 177 L N -1.044 120.087 121.223 -0.154 0.000 2.046 177 L HA -0.233 4.107 4.340 0.000 0.000 0.208 177 L C 2.824 179.740 176.870 0.078 0.000 1.077 177 L CA 1.675 56.494 54.840 -0.036 0.000 0.747 177 L CB -0.595 41.404 42.059 -0.100 0.000 0.896 177 L HN 0.476 nan 8.230 nan 0.000 0.432 178 Q N -0.116 119.724 119.800 0.067 0.000 2.112 178 Q HA -0.282 4.059 4.340 0.000 0.000 0.206 178 Q C 2.006 178.127 176.000 0.202 0.000 0.987 178 Q CA 2.139 58.009 55.803 0.112 0.000 0.858 178 Q CB -0.557 28.235 28.738 0.089 0.000 0.905 178 Q HN 0.503 nan 8.270 nan 0.000 0.420 179 W N -0.848 120.472 121.300 0.033 0.000 2.358 179 W HA -0.151 4.510 4.660 0.000 0.000 0.303 179 W C 1.824 178.386 176.519 0.071 0.000 1.208 179 W CA 1.659 59.044 57.345 0.067 0.000 1.274 179 W CB -0.094 29.396 29.460 0.051 0.000 1.138 179 W HN 0.027 nan 8.180 nan 0.000 0.515 180 V N -0.133 120.007 119.914 0.376 0.000 2.307 180 V HA -0.365 3.756 4.120 0.000 0.000 0.245 180 V C 2.516 178.660 176.094 0.084 0.000 1.045 180 V CA 2.302 64.752 62.300 0.250 0.000 1.024 180 V CB -1.373 30.578 31.823 0.213 0.000 0.651 180 V HN 0.333 nan 8.190 nan 0.000 0.449 181 H N 0.558 119.639 119.070 0.018 0.000 2.289 181 H HA -0.225 4.331 4.556 0.000 0.000 0.294 181 H C 2.043 177.311 175.328 -0.100 0.000 1.095 181 H CA 2.344 58.374 56.048 -0.029 0.000 1.256 181 H CB -0.036 29.720 29.762 -0.010 0.000 1.359 181 H HN 0.421 nan 8.280 nan 0.000 0.487 182 D N -0.329 120.029 120.400 -0.070 0.000 2.183 182 D HA -0.066 4.574 4.640 0.000 0.000 0.203 182 D C 1.450 177.562 176.300 -0.313 0.000 0.969 182 D CA 0.796 54.686 54.000 -0.182 0.000 0.842 182 D CB -0.043 40.685 40.800 -0.119 0.000 0.957 182 D HN 0.502 nan 8.370 nan 0.000 0.484 183 N N -0.415 118.041 118.700 -0.406 0.000 2.239 183 N HA 0.039 4.779 4.740 0.000 0.000 0.208 183 N C 1.537 176.971 175.510 -0.127 0.000 1.200 183 N CA -0.162 52.674 53.050 -0.357 0.000 0.895 183 N CB 1.005 38.899 38.487 -0.988 0.000 1.085 183 N HN 0.013 nan 8.380 nan 0.000 0.500 184 I N 3.271 123.787 120.570 -0.090 0.000 2.454 184 I HA -0.245 3.926 4.170 0.000 0.000 0.254 184 I C 2.628 178.767 176.117 0.037 0.000 1.156 184 I CA 1.245 62.615 61.300 0.118 0.000 1.433 184 I CB -0.178 37.871 38.000 0.081 0.000 1.082 184 I HN 0.173 nan 8.210 nan 0.000 0.432 185 Q N -0.559 119.073 119.800 -0.280 0.000 2.248 185 Q HA -0.259 4.082 4.340 0.000 0.000 0.208 185 Q C 1.805 177.610 176.000 -0.325 0.000 0.984 185 Q CA 1.807 57.388 55.803 -0.370 0.000 0.875 185 Q CB -0.906 27.486 28.738 -0.577 0.000 0.910 185 Q HN 0.434 nan 8.270 nan 0.000 0.433 186 F N -0.366 119.535 119.950 -0.080 0.000 2.661 186 F HA 0.134 4.661 4.527 0.000 0.000 0.298 186 F C 0.940 176.497 175.800 -0.405 0.000 1.137 186 F CA 0.172 58.006 58.000 -0.276 0.000 1.454 186 F CB -0.067 38.671 39.000 -0.437 0.000 1.103 186 F HN -0.014 nan 8.300 nan 0.000 0.577 187 F N -0.653 119.321 119.950 0.040 0.000 2.664 187 F HA 0.430 4.957 4.527 0.000 0.000 0.303 187 F C 1.778 177.616 175.800 0.064 0.000 1.092 187 F CA 0.289 58.299 58.000 0.017 0.000 1.305 187 F CB 0.032 39.014 39.000 -0.030 0.000 1.054 187 F HN 0.037 nan 8.300 nan 0.000 0.565 188 G N 0.168 109.062 108.800 0.158 0.000 2.175 188 G HA2 -0.195 3.765 3.960 0.000 0.000 0.244 188 G HA3 -0.195 3.765 3.960 0.000 0.000 0.244 188 G C 0.676 175.635 174.900 0.099 0.000 0.982 188 G CA -0.270 44.899 45.100 0.116 0.000 0.641 188 G HN 0.717 nan 8.290 nan 0.000 0.527 189 G N -0.286 108.582 108.800 0.113 0.000 2.476 189 G HA2 0.476 4.437 3.960 0.000 0.000 0.269 189 G HA3 0.476 4.437 3.960 0.000 0.000 0.269 189 G C -0.641 174.261 174.900 0.005 0.000 1.195 189 G CA 0.463 45.610 45.100 0.078 0.000 0.843 189 G HN 0.348 nan 8.290 nan 0.000 0.545 190 D N 1.597 121.997 120.400 0.001 0.000 2.454 190 D HA 0.301 4.941 4.640 0.000 0.000 0.225 190 D C -1.164 175.113 176.300 -0.038 0.000 1.081 190 D CA -2.437 51.543 54.000 -0.034 0.000 0.864 190 D CB 1.837 42.624 40.800 -0.021 0.000 1.040 190 D HN 0.057 nan 8.370 nan 0.000 0.517 191 P HA -0.142 nan 4.420 nan 0.000 0.223 191 P C 0.460 177.743 177.300 -0.028 0.000 1.144 191 P CA 0.815 63.864 63.100 -0.085 0.000 0.783 191 P CB 0.246 31.796 31.700 -0.250 0.000 0.771 192 K N -0.881 119.496 120.400 -0.039 0.000 2.444 192 K HA 0.122 4.442 4.320 0.000 0.000 0.193 192 K C 0.302 176.898 176.600 -0.007 0.000 1.024 192 K CA 0.577 56.855 56.287 -0.015 0.000 1.077 192 K CB -0.061 32.421 32.500 -0.031 0.000 0.833 192 K HN 0.046 nan 8.250 nan 0.000 0.517 193 T N 1.596 116.151 114.554 0.001 0.000 3.630 193 T HA 0.110 4.461 4.350 0.000 0.000 0.238 193 T C -0.732 173.986 174.700 0.030 0.000 1.195 193 T CA -0.368 61.731 62.100 -0.000 0.000 1.433 193 T CB 0.631 69.486 68.868 -0.021 0.000 0.940 193 T HN 0.021 nan 8.240 nan 0.000 0.641 194 V N 0.885 120.843 119.914 0.073 0.000 2.435 194 V HA 0.717 4.837 4.120 0.000 0.000 0.290 194 V C -0.387 175.807 176.094 0.166 0.000 1.030 194 V CA -0.021 62.350 62.300 0.118 0.000 0.881 194 V CB 1.635 33.543 31.823 0.143 0.000 0.983 194 V HN 0.364 nan 8.190 nan 0.000 0.445 195 T N 8.601 123.237 114.554 0.137 0.000 2.758 195 T HA 0.529 4.879 4.350 0.000 0.000 0.285 195 T C 0.007 174.819 174.700 0.188 0.000 0.981 195 T CA -0.179 62.017 62.100 0.161 0.000 0.965 195 T CB 0.609 69.524 68.868 0.079 0.000 0.927 195 T HN 0.845 nan 8.240 nan 0.000 0.448 196 I N 2.142 122.791 120.570 0.131 0.000 2.472 196 I HA 0.815 4.986 4.170 0.000 0.000 0.290 196 I C -0.739 175.539 176.117 0.268 0.000 1.016 196 I CA -0.792 60.561 61.300 0.088 0.000 1.348 196 I CB 0.654 38.479 38.000 -0.292 0.000 1.417 196 I HN 0.475 nan 8.210 nan 0.000 0.521 197 F N 2.948 122.905 119.950 0.011 0.000 2.619 197 F HA 0.991 5.518 4.527 0.001 0.000 0.308 197 F C -0.488 175.254 175.800 -0.096 0.000 1.097 197 F CA -1.274 56.765 58.000 0.064 0.000 0.953 197 F CB 1.292 40.449 39.000 0.262 0.000 1.287 197 F HN 0.869 nan 8.300 nan 0.000 0.446 198 G N 1.025 109.691 108.800 -0.224 0.000 2.547 198 G HA2 0.468 4.428 3.960 0.000 0.000 0.291 198 G HA3 0.468 4.428 3.960 0.000 0.000 0.291 198 G C -2.577 172.117 174.900 -0.343 0.000 1.471 198 G CA -0.821 43.761 45.100 -0.863 0.000 0.798 198 G HN 0.896 nan 8.290 nan 0.000 0.504 199 E N 0.396 120.376 120.200 -0.366 0.000 2.195 199 E HA 0.634 4.985 4.350 0.000 0.000 0.271 199 E C 0.764 177.325 176.600 -0.065 0.000 0.923 199 E CA 0.377 56.779 56.400 0.004 0.000 0.790 199 E CB 2.006 31.864 29.700 0.264 0.000 1.155 199 E HN 0.878 nan 8.360 nan 0.000 0.402 200 S N 2.825 118.542 115.700 0.029 0.000 4.151 200 S HA -0.396 4.074 4.470 0.000 0.000 0.603 200 S C 1.478 176.159 174.600 0.134 0.000 1.878 200 S CA 2.108 60.390 58.200 0.137 0.000 4.246 200 S CB -1.672 61.576 63.200 0.080 0.000 0.211 200 S HN 0.950 nan 8.310 nan 0.000 0.469 201 A N 1.078 123.851 122.820 -0.079 0.000 2.024 201 A HA 0.167 4.487 4.320 0.000 0.000 0.220 201 A C 2.376 179.686 177.584 -0.458 0.000 1.164 201 A CA 2.364 54.140 52.037 -0.436 0.000 0.643 201 A CB -1.410 16.965 19.000 -1.041 0.000 0.806 201 A HN 1.537 nan 8.150 nan 0.000 0.451 202 G N -0.972 107.633 108.800 -0.325 0.000 2.464 202 G HA2 0.150 4.110 3.960 0.000 0.000 0.217 202 G HA3 0.150 4.110 3.960 0.000 0.000 0.217 202 G C 1.362 176.084 174.900 -0.297 0.000 1.138 202 G CA 1.079 45.945 45.100 -0.390 0.000 0.793 202 G HN 0.639 nan 8.290 nan 0.000 0.539 203 G N 0.870 109.565 108.800 -0.175 0.000 2.426 203 G HA2 0.186 4.146 3.960 0.000 0.000 0.214 203 G HA3 0.186 4.146 3.960 0.000 0.000 0.214 203 G C 1.989 176.788 174.900 -0.168 0.000 1.156 203 G CA 1.224 46.247 45.100 -0.127 0.000 0.802 203 G HN 0.511 nan 8.290 nan 0.000 0.534 204 A N 0.990 123.733 122.820 -0.129 0.000 1.940 204 A HA -0.010 4.310 4.320 0.000 0.000 0.219 204 A C 2.662 180.176 177.584 -0.116 0.000 1.176 204 A CA 2.305 54.243 52.037 -0.166 0.000 0.631 204 A CB -0.560 18.362 19.000 -0.130 0.000 0.814 204 A HN 0.295 nan 8.150 nan 0.000 0.446 205 S N -0.645 114.994 115.700 -0.101 0.000 2.368 205 S HA -0.099 4.371 4.470 0.000 0.000 0.224 205 S C 1.912 176.421 174.600 -0.151 0.000 1.029 205 S CA 1.220 59.345 58.200 -0.125 0.000 0.988 205 S CB -0.424 62.644 63.200 -0.220 0.000 0.838 205 S HN 0.344 nan 8.310 nan 0.000 0.462 206 V N 1.748 121.577 119.914 -0.142 0.000 2.252 206 V HA -0.206 3.914 4.120 0.000 0.000 0.249 206 V C 2.619 178.652 176.094 -0.102 0.000 1.056 206 V CA 2.119 64.346 62.300 -0.122 0.000 1.022 206 V CB -1.445 30.292 31.823 -0.143 0.000 0.641 206 V HN 0.599 nan 8.190 nan 0.000 0.445 207 G N -1.321 107.366 108.800 -0.188 0.000 2.448 207 G HA2 -0.256 3.704 3.960 0.000 0.000 0.219 207 G HA3 -0.256 3.704 3.960 0.000 0.000 0.219 207 G C 1.591 176.467 174.900 -0.040 0.000 1.127 207 G CA 0.954 45.910 45.100 -0.240 0.000 0.766 207 G HN 0.457 nan 8.290 nan 0.000 0.552 208 M N -0.330 119.260 119.600 -0.017 0.000 2.254 208 M HA 0.052 4.532 4.480 0.000 0.000 0.265 208 M C 2.223 178.603 176.300 0.132 0.000 1.066 208 M CA 0.783 56.186 55.300 0.171 0.000 1.123 208 M CB -0.127 32.566 32.600 0.154 0.000 1.388 208 M HN 0.173 nan 8.290 nan 0.000 0.425 209 H N -0.273 118.890 119.070 0.154 0.000 2.462 209 H HA 0.053 4.609 4.556 0.000 0.000 0.292 209 H C 2.078 177.575 175.328 0.281 0.000 1.049 209 H CA 1.195 57.325 56.048 0.137 0.000 1.334 209 H CB -0.164 29.579 29.762 -0.033 0.000 1.404 209 H HN 0.404 nan 8.280 nan 0.000 0.544 210 I N 0.434 121.241 120.570 0.395 0.000 2.315 210 I HA -0.244 3.926 4.170 0.000 0.000 0.248 210 I C 2.199 178.539 176.117 0.371 0.000 1.117 210 I CA 0.822 62.397 61.300 0.460 0.000 1.404 210 I CB -0.079 38.137 38.000 0.360 0.000 1.071 210 I HN 0.111 nan 8.210 nan 0.000 0.419 211 L N -0.429 120.979 121.223 0.308 0.000 2.023 211 L HA -0.103 4.237 4.340 0.000 0.000 0.205 211 L C 1.598 178.567 176.870 0.165 0.000 1.073 211 L CA 0.535 55.560 54.840 0.307 0.000 0.745 211 L CB -0.476 41.806 42.059 0.372 0.000 0.900 211 L HN 0.103 nan 8.230 nan 0.000 0.435 212 S N 0.092 115.792 115.700 -0.001 0.000 2.498 212 S HA 0.077 4.547 4.470 0.000 0.000 0.281 212 S C -1.474 172.996 174.600 -0.217 0.000 1.265 212 S CA -1.302 56.702 58.200 -0.326 0.000 1.071 212 S CB 0.854 63.423 63.200 -1.052 0.000 0.894 212 S HN -0.075 nan 8.310 nan 0.000 0.491 213 P HA -0.084 nan 4.420 nan 0.000 0.217 213 P C 1.400 178.615 177.300 -0.143 0.000 1.151 213 P CA 1.380 64.407 63.100 -0.122 0.000 0.849 213 P CB -0.131 31.506 31.700 -0.105 0.000 0.787 214 G N -1.642 107.025 108.800 -0.222 0.000 2.598 214 G HA2 -0.117 3.843 3.960 0.000 0.000 0.215 214 G HA3 -0.117 3.843 3.960 0.000 0.000 0.215 214 G C 1.322 176.150 174.900 -0.120 0.000 1.131 214 G CA 0.494 45.489 45.100 -0.175 0.000 0.785 214 G HN 0.237 nan 8.290 nan 0.000 0.539 215 S N -0.448 115.199 115.700 -0.088 0.000 2.502 215 S HA 0.126 4.597 4.470 0.000 0.000 0.215 215 S C 2.139 176.833 174.600 0.156 0.000 1.009 215 S CA -0.439 57.807 58.200 0.076 0.000 0.908 215 S CB 0.221 63.589 63.200 0.280 0.000 0.801 215 S HN 0.331 nan 8.310 nan 0.000 0.505 216 R N 1.765 122.293 120.500 0.046 0.000 2.127 216 R HA -0.045 4.295 4.340 0.000 0.000 0.238 216 R C 0.745 176.875 176.300 -0.283 0.000 1.134 216 R CA 1.262 57.307 56.100 -0.091 0.000 0.975 216 R CB -0.214 30.041 30.300 -0.074 0.000 0.865 216 R HN 0.303 nan 8.270 nan 0.000 0.447 217 D N 0.216 120.520 120.400 -0.160 0.000 2.340 217 D HA 0.016 4.656 4.640 0.000 0.000 0.220 217 D C 1.175 177.389 176.300 -0.143 0.000 1.039 217 D CA 0.542 54.438 54.000 -0.173 0.000 0.866 217 D CB 0.377 41.089 40.800 -0.147 0.000 0.913 217 D HN 0.222 nan 8.370 nan 0.000 0.523 218 L N -0.051 121.146 121.223 -0.044 0.000 2.592 218 L HA 0.155 4.496 4.340 0.000 0.000 0.227 218 L C -0.036 176.995 176.870 0.267 0.000 1.127 218 L CA -0.046 54.837 54.840 0.071 0.000 0.884 218 L CB -0.102 41.992 42.059 0.059 0.000 1.065 218 L HN -0.087 nan 8.230 nan 0.000 0.457 219 F N -4.361 115.594 119.950 0.009 0.000 2.713 219 F HA 0.551 5.078 4.527 0.000 0.000 0.311 219 F C 0.384 176.205 175.800 0.036 0.000 1.141 219 F CA -1.443 56.576 58.000 0.031 0.000 0.939 219 F CB 1.205 40.223 39.000 0.029 0.000 1.325 219 F HN -0.383 nan 8.300 nan 0.000 0.453 220 R N 0.770 121.314 120.500 0.073 0.000 2.064 220 R HA 0.460 4.800 4.340 0.000 0.000 0.221 220 R C -0.004 176.328 176.300 0.054 0.000 1.136 220 R CA 1.172 57.260 56.100 -0.020 0.000 0.980 220 R CB 0.280 30.584 30.300 0.005 0.000 0.876 220 R HN 0.787 nan 8.270 nan 0.000 0.437 221 R N -1.747 118.916 120.500 0.273 0.000 2.831 221 R HA 0.724 5.064 4.340 0.000 0.000 0.266 221 R C -1.588 174.982 176.300 0.449 0.000 1.051 221 R CA -0.703 55.573 56.100 0.293 0.000 0.943 221 R CB 2.094 32.414 30.300 0.034 0.000 1.228 221 R HN 0.170 nan 8.270 nan 0.000 0.467 222 A N 1.179 124.252 122.820 0.422 0.000 2.520 222 A HA 0.694 5.015 4.320 0.000 0.000 0.298 222 A C -1.193 176.491 177.584 0.166 0.000 1.051 222 A CA -0.614 51.584 52.037 0.270 0.000 0.690 222 A CB 1.263 20.393 19.000 0.216 0.000 1.281 222 A HN 0.553 nan 8.150 nan 0.000 0.402 223 I N 1.671 122.293 120.570 0.085 0.000 2.465 223 I HA 0.445 4.615 4.170 0.000 0.000 0.291 223 I C -1.389 174.760 176.117 0.055 0.000 1.014 223 I CA -0.727 60.547 61.300 -0.044 0.000 1.093 223 I CB 2.003 39.933 38.000 -0.116 0.000 1.267 223 I HN 0.437 nan 8.210 nan 0.000 0.431 224 L N 6.225 127.459 121.223 0.019 0.000 2.342 224 L HA 0.413 4.754 4.340 0.000 0.000 0.276 224 L C -0.538 176.412 176.870 0.133 0.000 0.997 224 L CA -0.216 54.638 54.840 0.023 0.000 0.838 224 L CB 1.556 43.560 42.059 -0.091 0.000 1.224 224 L HN 0.498 nan 8.230 nan 0.000 0.416 225 Q N 1.860 121.797 119.800 0.228 0.000 2.340 225 Q HA 0.480 4.820 4.340 0.000 0.000 0.259 225 Q C 0.219 176.340 176.000 0.201 0.000 0.964 225 Q CA -0.493 55.513 55.803 0.338 0.000 0.900 225 Q CB 1.335 30.377 28.738 0.508 0.000 1.228 225 Q HN 0.630 nan 8.270 nan 0.000 0.449 226 S N 1.017 116.817 115.700 0.166 0.000 3.581 226 S HA -0.167 4.303 4.470 0.000 0.000 0.354 226 S C 0.012 174.737 174.600 0.210 0.000 1.059 226 S CA 0.579 58.886 58.200 0.178 0.000 1.060 226 S CB -1.171 62.150 63.200 0.200 0.000 0.908 226 S HN 0.973 nan 8.310 nan 0.000 0.475 227 G N -0.369 108.499 108.800 0.113 0.000 2.616 227 G HA2 0.629 4.589 3.960 0.000 0.000 0.294 227 G HA3 0.629 4.589 3.960 0.000 0.000 0.294 227 G C -0.980 173.852 174.900 -0.114 0.000 1.489 227 G CA 0.145 45.311 45.100 0.110 0.000 0.836 227 G HN 0.957 nan 8.290 nan 0.000 0.527 228 S N 0.934 116.488 115.700 -0.243 0.000 2.618 228 S HA 0.778 5.248 4.470 0.000 0.000 0.277 228 S C -2.158 172.146 174.600 -0.494 0.000 1.138 228 S CA -1.242 56.664 58.200 -0.490 0.000 0.844 228 S CB 2.920 65.803 63.200 -0.529 0.000 1.127 228 S HN 0.417 nan 8.310 nan 0.000 0.474 229 P HA -0.110 nan 4.420 nan 0.000 0.218 229 P C 0.600 177.670 177.300 -0.384 0.000 1.149 229 P CA 1.241 64.114 63.100 -0.380 0.000 0.817 229 P CB -0.317 31.223 31.700 -0.266 0.000 0.785 230 N N -0.631 117.881 118.700 -0.313 0.000 2.421 230 N HA -0.025 4.715 4.740 0.000 0.000 0.201 230 N C 0.006 175.291 175.510 -0.376 0.000 1.198 230 N CA -0.127 52.769 53.050 -0.257 0.000 0.838 230 N CB -1.276 37.181 38.487 -0.050 0.000 1.011 230 N HN 0.031 nan 8.380 nan 0.000 0.463 231 C N 2.494 121.448 119.300 -0.576 0.000 2.657 231 C HA 0.104 4.564 4.460 0.000 0.000 0.420 231 C C -0.341 174.162 174.990 -0.811 0.000 1.323 231 C CA -0.950 57.575 59.018 -0.822 0.000 1.894 231 C CB 1.141 28.014 27.740 -1.445 0.000 2.681 231 C HN 0.356 nan 8.230 nan 0.000 0.613 232 P HA -0.090 nan 4.420 nan 0.000 0.220 232 P C 1.232 178.345 177.300 -0.313 0.000 1.148 232 P CA 1.678 64.513 63.100 -0.442 0.000 0.803 232 P CB -0.118 31.327 31.700 -0.426 0.000 0.782 233 W N -1.180 120.003 121.300 -0.195 0.000 3.197 233 W HA 0.547 5.208 4.660 0.000 0.000 0.274 233 W C 1.044 177.623 176.519 0.101 0.000 1.297 233 W CA 0.377 57.702 57.345 -0.033 0.000 1.662 233 W CB -1.129 28.370 29.460 0.065 0.000 1.106 233 W HN -0.114 nan 8.180 nan 0.000 0.663 234 A N 1.276 123.752 122.820 -0.574 0.000 2.218 234 A HA 0.236 4.556 4.320 0.000 0.000 0.209 234 A C 0.925 178.309 177.584 -0.333 0.000 1.168 234 A CA 0.945 52.734 52.037 -0.412 0.000 0.804 234 A CB -0.501 17.993 19.000 -0.843 0.000 0.834 234 A HN 0.203 nan 8.150 nan 0.000 0.482 235 S N -1.682 113.830 115.700 -0.313 0.000 2.588 235 S HA 0.667 5.138 4.470 0.000 0.000 0.269 235 S C -0.797 173.669 174.600 -0.223 0.000 1.157 235 S CA -0.078 57.933 58.200 -0.316 0.000 0.824 235 S CB 1.319 64.270 63.200 -0.415 0.000 1.126 235 S HN 1.315 nan 8.310 nan 0.000 0.464 236 V N -1.107 118.692 119.914 -0.192 0.000 3.130 236 V HA 0.936 5.056 4.120 0.000 0.000 0.310 236 V C 0.179 176.193 176.094 -0.133 0.000 1.158 236 V CA -0.457 61.758 62.300 -0.142 0.000 1.029 236 V CB 1.159 32.917 31.823 -0.108 0.000 1.057 236 V HN 1.520 nan 8.190 nan 0.000 0.436 237 S N 0.886 116.521 115.700 -0.108 0.000 2.608 237 S HA 0.301 4.771 4.470 0.000 0.000 0.261 237 S C 1.412 175.964 174.600 -0.079 0.000 1.314 237 S CA 0.041 58.184 58.200 -0.095 0.000 0.992 237 S CB 1.177 64.332 63.200 -0.074 0.000 0.935 237 S HN 2.163 nan 8.310 nan 0.000 0.564 238 V N -0.707 119.153 119.914 -0.090 0.000 2.287 238 V HA -0.103 4.018 4.120 0.000 0.000 0.248 238 V C 2.657 178.742 176.094 -0.015 0.000 1.053 238 V CA 1.971 64.229 62.300 -0.071 0.000 1.027 238 V CB -2.105 29.636 31.823 -0.136 0.000 0.646 238 V HN 1.049 nan 8.190 nan 0.000 0.447 239 A N 0.622 123.430 122.820 -0.019 0.000 1.883 239 A HA -0.283 4.037 4.320 0.000 0.000 0.217 239 A C 2.232 179.801 177.584 -0.026 0.000 1.186 239 A CA 2.435 54.465 52.037 -0.012 0.000 0.624 239 A CB -0.794 18.196 19.000 -0.016 0.000 0.822 239 A HN 0.716 nan 8.150 nan 0.000 0.444 240 E N -0.130 120.044 120.200 -0.043 0.000 2.106 240 E HA 0.001 4.352 4.350 0.000 0.000 0.192 240 E C 1.962 178.528 176.600 -0.056 0.000 0.984 240 E CA 1.459 57.822 56.400 -0.062 0.000 0.806 240 E CB -0.778 28.876 29.700 -0.077 0.000 0.750 240 E HN 0.398 nan 8.360 nan 0.000 0.458 241 G N 0.767 109.547 108.800 -0.033 0.000 2.446 241 G HA2 -0.358 3.602 3.960 0.000 0.000 0.217 241 G HA3 -0.358 3.602 3.960 0.000 0.000 0.217 241 G C 1.756 176.671 174.900 0.025 0.000 1.168 241 G CA 0.905 46.009 45.100 0.007 0.000 0.771 241 G HN 0.318 nan 8.290 nan 0.000 0.551 242 R N 0.131 120.641 120.500 0.016 0.000 2.083 242 R HA -0.031 4.309 4.340 0.000 0.000 0.237 242 R C 2.618 178.918 176.300 0.000 0.000 1.137 242 R CA 1.411 57.520 56.100 0.015 0.000 0.951 242 R CB -0.361 29.951 30.300 0.021 0.000 0.851 242 R HN 0.258 nan 8.270 nan 0.000 0.434 243 R N 0.495 120.986 120.500 -0.016 0.000 2.096 243 R HA -0.176 4.165 4.340 0.000 0.000 0.240 243 R C 2.279 178.557 176.300 -0.036 0.000 1.139 243 R CA 2.113 58.193 56.100 -0.033 0.000 0.952 243 R CB -0.160 30.107 30.300 -0.055 0.000 0.854 243 R HN 0.289 nan 8.270 nan 0.000 0.436 244 R N -0.484 119.987 120.500 -0.047 0.000 2.075 244 R HA -0.050 4.290 4.340 0.000 0.000 0.232 244 R C 2.343 178.689 176.300 0.076 0.000 1.126 244 R CA 1.319 57.382 56.100 -0.063 0.000 0.963 244 R CB -0.311 29.862 30.300 -0.212 0.000 0.858 244 R HN 0.253 nan 8.270 nan 0.000 0.435 245 A N 0.620 123.516 122.820 0.126 0.000 1.902 245 A HA -0.116 4.204 4.320 0.000 0.000 0.217 245 A C 2.332 179.929 177.584 0.022 0.000 1.181 245 A CA 1.376 53.475 52.037 0.103 0.000 0.623 245 A CB -0.547 18.456 19.000 0.005 0.000 0.818 245 A HN 0.112 nan 8.150 nan 0.000 0.443 246 V N -0.005 119.914 119.914 0.007 0.000 2.261 246 V HA -0.249 3.872 4.120 0.000 0.000 0.246 246 V C 2.596 178.694 176.094 0.007 0.000 1.047 246 V CA 2.432 64.731 62.300 -0.003 0.000 1.015 246 V CB -0.744 31.075 31.823 -0.007 0.000 0.642 246 V HN 0.700 nan 8.190 nan 0.000 0.446 247 E N 0.113 120.317 120.200 0.008 0.000 2.160 247 E HA -0.233 4.117 4.350 0.000 0.000 0.195 247 E C 1.881 178.501 176.600 0.034 0.000 0.991 247 E CA 1.097 57.502 56.400 0.008 0.000 0.810 247 E CB -0.411 29.278 29.700 -0.018 0.000 0.742 247 E HN 0.467 nan 8.360 nan 0.000 0.466 248 L N -0.573 120.693 121.223 0.072 0.000 2.131 248 L HA 0.035 4.375 4.340 0.000 0.000 0.210 248 L C 2.064 178.955 176.870 0.036 0.000 1.092 248 L CA 2.096 56.990 54.840 0.090 0.000 0.759 248 L CB -0.782 41.370 42.059 0.157 0.000 0.903 248 L HN 0.235 nan 8.230 nan 0.000 0.435 249 G N -1.050 107.758 108.800 0.014 0.000 2.404 249 G HA2 -0.273 3.687 3.960 0.000 0.000 0.215 249 G HA3 -0.273 3.687 3.960 0.000 0.000 0.215 249 G C 1.765 176.677 174.900 0.019 0.000 1.174 249 G CA 0.642 45.747 45.100 0.008 0.000 0.780 249 G HN 0.363 nan 8.290 nan 0.000 0.537 250 R N 0.406 120.917 120.500 0.018 0.000 2.103 250 R HA -0.100 4.240 4.340 0.000 0.000 0.242 250 R C 2.330 178.646 176.300 0.025 0.000 1.142 250 R CA 1.545 57.657 56.100 0.019 0.000 0.960 250 R CB -0.376 29.931 30.300 0.013 0.000 0.858 250 R HN 0.292 nan 8.270 nan 0.000 0.439 251 N N 0.449 119.168 118.700 0.031 0.000 2.223 251 N HA -0.150 4.590 4.740 0.000 0.000 0.185 251 N C 1.159 176.694 175.510 0.042 0.000 1.016 251 N CA 1.108 54.181 53.050 0.040 0.000 0.863 251 N CB 0.027 38.545 38.487 0.052 0.000 0.983 251 N HN 0.285 nan 8.380 nan 0.000 0.429 252 L N 1.025 122.272 121.223 0.040 0.000 2.728 252 L HA 0.175 4.516 4.340 0.000 0.000 0.235 252 L C -0.161 176.731 176.870 0.036 0.000 1.197 252 L CA -0.169 54.696 54.840 0.041 0.000 0.992 252 L CB -0.234 41.850 42.059 0.042 0.000 1.263 252 L HN 0.000 nan 8.230 nan 0.000 0.484 253 N N -0.698 118.021 118.700 0.032 0.000 2.727 253 N HA -0.186 4.554 4.740 0.000 0.000 0.249 253 N C -0.210 175.319 175.510 0.031 0.000 1.048 253 N CA 0.523 53.590 53.050 0.030 0.000 0.714 253 N CB -1.794 36.711 38.487 0.030 0.000 0.959 253 N HN 0.295 nan 8.380 nan 0.000 0.544 254 c N 0.905 119.523 118.600 0.030 0.000 2.539 254 c HA 0.192 4.762 4.570 0.000 0.000 0.392 254 c C 1.401 175.509 174.090 0.029 0.000 1.269 254 c CA -1.039 55.310 56.329 0.033 0.000 2.250 254 c CB 0.637 43.165 42.510 0.030 0.000 2.584 254 c HN 0.387 nan 8.230 nan 0.000 0.589 255 N N 2.151 120.872 118.700 0.035 0.000 2.417 255 N HA 0.006 4.746 4.740 0.000 0.000 0.272 255 N C 0.344 175.868 175.510 0.022 0.000 1.304 255 N CA 0.424 53.492 53.050 0.029 0.000 0.906 255 N CB 0.307 38.815 38.487 0.034 0.000 1.135 255 N HN 0.595 nan 8.380 nan 0.000 0.483 256 L N 2.397 123.629 121.223 0.015 0.000 2.628 256 L HA 0.062 4.402 4.340 0.000 0.000 0.229 256 L C 2.274 179.148 176.870 0.006 0.000 1.137 256 L CA 0.180 55.025 54.840 0.009 0.000 0.909 256 L CB -0.829 41.234 42.059 0.007 0.000 1.137 256 L HN 0.589 nan 8.230 nan 0.000 0.470 257 N N 0.712 119.416 118.700 0.008 0.000 2.149 257 N HA -0.130 4.611 4.740 0.000 0.000 0.188 257 N C 1.013 176.525 175.510 0.002 0.000 1.019 257 N CA 1.471 54.524 53.050 0.005 0.000 0.857 257 N CB -0.002 38.487 38.487 0.004 0.000 0.997 257 N HN 0.489 nan 8.380 nan 0.000 0.426 258 S N -2.882 112.820 115.700 0.004 0.000 2.607 258 S HA 0.444 4.914 4.470 0.000 0.000 0.273 258 S C -0.470 174.132 174.600 0.002 0.000 1.148 258 S CA -0.180 58.021 58.200 0.001 0.000 0.833 258 S CB 1.401 64.601 63.200 -0.000 0.000 1.130 258 S HN 0.072 nan 8.310 nan 0.000 0.470 259 D N 1.403 121.801 120.400 -0.003 0.000 2.133 259 D HA -0.097 4.543 4.640 0.000 0.000 0.192 259 D C 2.017 178.321 176.300 0.007 0.000 1.001 259 D CA 2.063 56.059 54.000 -0.007 0.000 0.844 259 D CB -0.420 40.373 40.800 -0.012 0.000 0.944 259 D HN 0.688 nan 8.370 nan 0.000 0.447 260 E N 0.619 120.829 120.200 0.016 0.000 2.150 260 E HA -0.139 4.212 4.350 0.000 0.000 0.193 260 E C 2.040 178.675 176.600 0.059 0.000 0.985 260 E CA 1.004 57.426 56.400 0.037 0.000 0.814 260 E CB -0.578 29.137 29.700 0.025 0.000 0.752 260 E HN 0.641 nan 8.360 nan 0.000 0.466 261 E N 0.366 120.590 120.200 0.040 0.000 2.076 261 E HA -0.064 4.286 4.350 0.000 0.000 0.190 261 E C 2.268 178.915 176.600 0.078 0.000 0.979 261 E CA 0.782 57.215 56.400 0.055 0.000 0.807 261 E CB -0.351 29.366 29.700 0.027 0.000 0.761 261 E HN 0.194 nan 8.360 nan 0.000 0.454 262 L N 1.931 123.179 121.223 0.042 0.000 1.990 262 L HA -0.188 4.153 4.340 0.000 0.000 0.213 262 L C 2.224 179.114 176.870 0.033 0.000 1.072 262 L CA 1.628 56.482 54.840 0.023 0.000 0.755 262 L CB -0.544 41.508 42.059 -0.013 0.000 0.889 262 L HN 0.089 nan 8.230 nan 0.000 0.432 263 I N -1.234 119.360 120.570 0.040 0.000 2.179 263 I HA -0.342 3.829 4.170 0.000 0.000 0.242 263 I C 2.621 178.833 176.117 0.159 0.000 1.088 263 I CA 1.619 62.966 61.300 0.079 0.000 1.357 263 I CB -0.676 37.372 38.000 0.079 0.000 1.051 263 I HN 0.469 nan 8.210 nan 0.000 0.409 264 H N 0.468 119.579 119.070 0.068 0.000 2.353 264 H HA -0.246 4.310 4.556 0.000 0.000 0.300 264 H C 2.464 177.831 175.328 0.065 0.000 1.090 264 H CA 2.171 58.258 56.048 0.065 0.000 1.327 264 H CB -0.160 29.627 29.762 0.042 0.000 1.383 264 H HN 0.507 nan 8.280 nan 0.000 0.508 265 c N 0.966 119.655 118.600 0.148 0.000 2.413 265 c HA -0.145 4.426 4.570 0.000 0.000 0.278 265 c C 3.075 177.188 174.090 0.038 0.000 1.224 265 c CA 1.088 57.467 56.329 0.084 0.000 1.732 265 c CB -1.410 41.153 42.510 0.088 0.000 2.050 265 c HN 0.592 nan 8.230 nan 0.000 0.463 266 L N 0.160 121.427 121.223 0.074 0.000 2.127 266 L HA -0.146 4.194 4.340 0.000 0.000 0.211 266 L C 2.925 179.887 176.870 0.153 0.000 1.089 266 L CA 1.641 56.556 54.840 0.125 0.000 0.757 266 L CB -0.636 41.502 42.059 0.132 0.000 0.899 266 L HN 0.397 nan 8.230 nan 0.000 0.434 267 R N -0.589 119.966 120.500 0.092 0.000 2.236 267 R HA -0.060 4.280 4.340 0.000 0.000 0.208 267 R C 1.687 177.922 176.300 -0.109 0.000 1.036 267 R CA 0.435 56.513 56.100 -0.036 0.000 1.001 267 R CB 0.113 30.368 30.300 -0.075 0.000 0.896 267 R HN 0.294 nan 8.270 nan 0.000 0.464 268 E N 0.505 120.629 120.200 -0.126 0.000 2.474 268 E HA 0.016 4.366 4.350 0.000 0.000 0.194 268 E C -0.078 176.505 176.600 -0.029 0.000 1.041 268 E CA 0.395 56.732 56.400 -0.105 0.000 0.874 268 E CB 0.351 29.974 29.700 -0.129 0.000 0.914 268 E HN 0.074 nan 8.360 nan 0.000 0.498 269 K N 1.826 122.227 120.400 0.001 0.000 2.295 269 K HA 0.141 4.461 4.320 0.000 0.000 0.270 269 K C 0.577 177.204 176.600 0.045 0.000 1.011 269 K CA -0.194 56.112 56.287 0.032 0.000 0.953 269 K CB 0.885 33.415 32.500 0.051 0.000 0.956 269 K HN -0.150 nan 8.250 nan 0.000 0.477 270 K N 2.730 123.160 120.400 0.051 0.000 2.436 270 K HA 0.005 4.326 4.320 0.000 0.000 0.275 270 K C -1.680 174.990 176.600 0.116 0.000 0.999 270 K CA -1.345 54.978 56.287 0.060 0.000 0.980 270 K CB 0.008 32.537 32.500 0.048 0.000 0.919 270 K HN 0.210 nan 8.250 nan 0.000 0.484 271 P HA -0.249 nan 4.420 nan 0.000 0.217 271 P C 1.220 178.700 177.300 0.300 0.000 1.158 271 P CA 1.588 64.853 63.100 0.274 0.000 0.887 271 P CB 0.286 32.004 31.700 0.029 0.000 0.792 272 Q N -0.496 119.407 119.800 0.170 0.000 2.432 272 Q HA -0.081 4.259 4.340 0.000 0.000 0.205 272 Q C 1.844 177.936 176.000 0.153 0.000 0.945 272 Q CA 1.134 57.035 55.803 0.163 0.000 0.924 272 Q CB -0.603 28.200 28.738 0.107 0.000 1.016 272 Q HN 0.277 nan 8.270 nan 0.000 0.503 273 E N -0.742 119.537 120.200 0.131 0.000 2.150 273 E HA -0.146 4.205 4.350 0.000 0.000 0.193 273 E C 1.243 177.913 176.600 0.116 0.000 0.985 273 E CA 0.725 57.191 56.400 0.110 0.000 0.814 273 E CB 0.135 29.886 29.700 0.085 0.000 0.752 273 E HN 0.275 nan 8.360 nan 0.000 0.466 274 L N 0.364 121.663 121.223 0.127 0.000 2.044 274 L HA -0.114 4.226 4.340 0.000 0.000 0.205 274 L C 2.099 179.038 176.870 0.115 0.000 1.075 274 L CA 1.347 56.231 54.840 0.072 0.000 0.747 274 L CB -0.399 41.637 42.059 -0.037 0.000 0.903 274 L HN 0.131 nan 8.230 nan 0.000 0.435 275 I N -0.485 120.206 120.570 0.201 0.000 2.226 275 I HA -0.301 3.870 4.170 0.000 0.000 0.245 275 I C 1.980 178.260 176.117 0.273 0.000 1.100 275 I CA 1.120 62.576 61.300 0.260 0.000 1.374 275 I CB -0.449 37.754 38.000 0.338 0.000 1.057 275 I HN 0.233 nan 8.210 nan 0.000 0.413 276 D N 0.339 120.880 120.400 0.235 0.000 2.190 276 D HA -0.152 4.488 4.640 0.000 0.000 0.200 276 D C 1.964 178.396 176.300 0.220 0.000 0.992 276 D CA 1.761 55.899 54.000 0.229 0.000 0.854 276 D CB -0.128 40.771 40.800 0.165 0.000 0.936 276 D HN 0.409 nan 8.370 nan 0.000 0.462 277 V N -2.387 117.632 119.914 0.176 0.000 3.578 277 V HA 0.194 4.315 4.120 0.000 0.000 0.290 277 V C 1.766 177.943 176.094 0.138 0.000 1.376 277 V CA 0.100 62.490 62.300 0.151 0.000 1.083 277 V CB 0.292 32.182 31.823 0.111 0.000 0.911 277 V HN -0.039 nan 8.190 nan 0.000 0.433 278 E N 0.861 121.130 120.200 0.116 0.000 2.070 278 E HA -0.262 4.088 4.350 0.000 0.000 0.197 278 E C 1.657 178.146 176.600 -0.185 0.000 1.004 278 E CA 2.578 58.977 56.400 -0.001 0.000 0.805 278 E CB -0.249 29.355 29.700 -0.160 0.000 0.744 278 E HN 0.800 nan 8.360 nan 0.000 0.451 279 W N 1.134 122.429 121.300 -0.009 0.000 2.421 279 W HA -0.078 4.583 4.660 0.000 0.000 0.270 279 W C 1.867 178.345 176.519 -0.067 0.000 1.233 279 W CA 0.502 57.794 57.345 -0.088 0.000 1.226 279 W CB -0.284 29.097 29.460 -0.132 0.000 1.121 279 W HN 0.148 nan 8.180 nan 0.000 0.579 280 N N 0.321 119.104 118.700 0.137 0.000 2.443 280 N HA -0.133 4.607 4.740 0.000 0.000 0.184 280 N C 1.769 177.281 175.510 0.002 0.000 1.037 280 N CA 1.719 54.814 53.050 0.075 0.000 0.896 280 N CB -0.952 37.580 38.487 0.075 0.000 0.959 280 N HN 0.282 nan 8.380 nan 0.000 0.442 281 V N -1.994 117.885 119.914 -0.058 0.000 3.406 281 V HA 0.160 4.281 4.120 0.000 0.000 0.263 281 V C 0.936 176.924 176.094 -0.177 0.000 1.172 281 V CA 0.049 62.276 62.300 -0.121 0.000 1.140 281 V CB -0.792 30.930 31.823 -0.169 0.000 0.784 281 V HN 0.027 nan 8.190 nan 0.000 0.467 282 L N 1.900 123.028 121.223 -0.158 0.000 2.543 282 L HA 0.125 4.466 4.340 0.000 0.000 0.285 282 L C -0.414 176.334 176.870 -0.204 0.000 1.236 282 L CA -0.672 54.073 54.840 -0.158 0.000 0.871 282 L CB 0.179 42.206 42.059 -0.052 0.000 1.121 282 L HN 0.182 nan 8.230 nan 0.000 0.501 283 P HA 0.012 nan 4.420 nan 0.000 0.227 283 P C -0.375 176.506 177.300 -0.698 0.000 1.161 283 P CA 1.018 63.733 63.100 -0.642 0.000 0.788 283 P CB 0.284 31.365 31.700 -1.030 0.000 0.822 284 F N -0.864 119.083 119.950 -0.005 0.000 2.629 284 F HA 0.366 4.893 4.527 0.000 0.000 0.316 284 F C 0.125 175.927 175.800 0.003 0.000 1.081 284 F CA -1.508 56.494 58.000 0.003 0.000 0.954 284 F CB 0.181 39.188 39.000 0.012 0.000 1.337 284 F HN -0.437 nan 8.300 nan 0.000 0.474 285 D N 1.272 121.803 120.400 0.219 0.000 2.382 285 D HA 0.432 5.072 4.640 0.000 0.000 0.259 285 D C -0.565 175.804 176.300 0.115 0.000 1.224 285 D CA 0.780 54.852 54.000 0.120 0.000 0.894 285 D CB 0.454 41.303 40.800 0.082 0.000 1.127 285 D HN 0.644 nan 8.370 nan 0.000 0.487 286 S N 1.816 117.564 115.700 0.081 0.000 2.596 286 S HA 0.694 5.164 4.470 0.000 0.000 0.270 286 S C -0.891 173.721 174.600 0.019 0.000 1.155 286 S CA -0.980 57.260 58.200 0.067 0.000 0.827 286 S CB 1.159 64.429 63.200 0.116 0.000 1.130 286 S HN 0.318 nan 8.310 nan 0.000 0.467 287 I N 0.940 121.515 120.570 0.009 0.000 2.730 287 I HA 0.629 4.799 4.170 0.000 0.000 0.298 287 I C -0.936 175.158 176.117 -0.039 0.000 1.089 287 I CA -0.733 60.567 61.300 -0.001 0.000 1.041 287 I CB 1.702 39.729 38.000 0.046 0.000 1.235 287 I HN 0.861 nan 8.210 nan 0.000 0.423 288 F N 4.809 124.529 119.950 -0.384 0.000 3.071 288 F HA -0.217 4.311 4.527 0.000 0.000 0.295 288 F C -0.527 174.707 175.800 -0.943 0.000 0.919 288 F CA 0.436 57.936 58.000 -0.834 0.000 1.050 288 F CB -0.670 37.806 39.000 -0.873 0.000 1.040 288 F HN 0.378 nan 8.300 nan 0.000 0.692 289 R N 0.908 120.924 120.500 -0.807 0.000 2.538 289 R HA 0.597 4.937 4.340 0.000 0.000 0.292 289 R C -0.941 174.947 176.300 -0.687 0.000 1.008 289 R CA -0.521 55.207 56.100 -0.620 0.000 0.896 289 R CB 1.131 31.345 30.300 -0.144 0.000 1.187 289 R HN 0.041 nan 8.270 nan 0.000 0.440 290 F N -0.714 119.325 119.950 0.148 0.000 2.546 290 F HA 0.412 4.939 4.527 0.000 0.000 0.320 290 F C 1.573 177.283 175.800 -0.150 0.000 1.076 290 F CA -0.843 57.159 58.000 0.004 0.000 0.928 290 F CB 1.684 40.775 39.000 0.151 0.000 1.189 290 F HN 0.304 nan 8.300 nan 0.000 0.465 291 S N 0.460 116.017 115.700 -0.237 0.000 2.345 291 S HA 0.048 4.518 4.470 0.000 0.000 0.219 291 S C 0.024 174.197 174.600 -0.713 0.000 1.031 291 S CA 1.038 58.879 58.200 -0.599 0.000 0.984 291 S CB -0.171 62.474 63.200 -0.925 0.000 0.874 291 S HN 0.349 nan 8.310 nan 0.000 0.451 292 F N 1.838 121.801 119.950 0.021 0.000 2.347 292 F HA 0.547 5.074 4.527 0.000 0.000 0.366 292 F C 0.014 175.860 175.800 0.077 0.000 1.107 292 F CA -1.014 57.033 58.000 0.079 0.000 1.058 292 F CB 1.070 40.140 39.000 0.117 0.000 1.236 292 F HN -0.090 nan 8.300 nan 0.000 0.456 293 V N 0.956 120.892 119.914 0.037 0.000 3.160 293 V HA 0.758 4.879 4.120 0.000 0.000 0.310 293 V C -2.879 172.911 176.094 -0.507 0.000 1.181 293 V CA -3.306 58.728 62.300 -0.445 0.000 1.047 293 V CB 2.032 33.743 31.823 -0.188 0.000 1.068 293 V HN 0.257 nan 8.190 nan 0.000 0.441 294 P HA 0.145 nan 4.420 nan 0.000 0.266 294 P C -0.514 176.684 177.300 -0.170 0.000 1.180 294 P CA 0.482 63.339 63.100 -0.405 0.000 0.765 294 P CB 0.210 31.595 31.700 -0.525 0.000 0.806 295 V N 1.225 121.132 119.914 -0.011 0.000 2.628 295 V HA 0.417 4.537 4.120 0.000 0.000 0.306 295 V C 0.093 176.223 176.094 0.060 0.000 1.045 295 V CA -0.948 61.339 62.300 -0.021 0.000 0.905 295 V CB 1.815 33.634 31.823 -0.005 0.000 0.997 295 V HN 0.214 nan 8.190 nan 0.000 0.436 296 I N 4.803 125.332 120.570 -0.068 0.000 2.357 296 I HA 0.198 4.368 4.170 0.000 0.000 0.300 296 I C 0.759 176.862 176.117 -0.023 0.000 1.159 296 I CA 0.224 61.498 61.300 -0.042 0.000 1.339 296 I CB -0.144 37.755 38.000 -0.167 0.000 1.458 296 I HN 0.976 nan 8.210 nan 0.000 0.577 297 D N 3.179 123.627 120.400 0.080 0.000 2.423 297 D HA 0.101 4.742 4.640 0.000 0.000 0.208 297 D C 1.372 177.636 176.300 -0.060 0.000 1.068 297 D CA 0.745 54.679 54.000 -0.110 0.000 0.860 297 D CB 0.593 41.412 40.800 0.031 0.000 0.992 297 D HN 0.615 nan 8.370 nan 0.000 0.504 298 G N 0.416 109.259 108.800 0.072 0.000 2.176 298 G HA2 -0.335 3.625 3.960 0.000 0.000 0.253 298 G HA3 -0.335 3.625 3.960 0.000 0.000 0.253 298 G C 0.802 175.768 174.900 0.109 0.000 0.979 298 G CA 0.618 45.772 45.100 0.091 0.000 0.641 298 G HN 0.449 nan 8.290 nan 0.000 0.530 299 E N -1.424 118.855 120.200 0.132 0.000 2.625 299 E HA 0.492 4.842 4.350 0.000 0.000 0.185 299 E C 1.708 178.341 176.600 0.056 0.000 1.085 299 E CA -0.111 56.352 56.400 0.104 0.000 1.137 299 E CB -0.061 29.724 29.700 0.141 0.000 1.687 299 E HN 0.168 nan 8.360 nan 0.000 0.512 300 F N 0.512 120.401 119.950 -0.102 0.000 2.134 300 F HA -0.000 4.527 4.527 0.000 0.000 0.299 300 F C 0.039 175.556 175.800 -0.471 0.000 1.097 300 F CA 1.130 58.938 58.000 -0.321 0.000 1.264 300 F CB 0.296 39.015 39.000 -0.468 0.000 1.001 300 F HN -0.084 nan 8.300 nan 0.000 0.479 301 F N 0.733 120.815 119.950 0.220 0.000 2.347 301 F HA 0.353 4.880 4.527 0.000 0.000 0.366 301 F C -1.629 174.201 175.800 0.050 0.000 1.107 301 F CA -2.779 55.288 58.000 0.112 0.000 1.058 301 F CB 0.569 39.635 39.000 0.110 0.000 1.236 301 F HN -0.238 nan 8.300 nan 0.000 0.456 302 P HA -0.107 nan 4.420 nan 0.000 0.214 302 P C 0.453 177.810 177.300 0.095 0.000 1.163 302 P CA 1.723 64.880 63.100 0.095 0.000 0.889 302 P CB 0.115 31.846 31.700 0.053 0.000 0.790 303 T N -5.309 109.306 114.554 0.103 0.000 2.762 303 T HA 0.470 4.821 4.350 0.000 0.000 0.272 303 T C -0.068 174.666 174.700 0.056 0.000 0.982 303 T CA -0.751 61.389 62.100 0.066 0.000 1.013 303 T CB 0.502 69.396 68.868 0.044 0.000 1.309 303 T HN 0.025 nan 8.240 nan 0.000 0.572 304 S N 0.089 115.796 115.700 0.011 0.000 2.554 304 S HA 0.035 4.506 4.470 0.000 0.000 0.290 304 S C 1.483 176.070 174.600 -0.021 0.000 1.309 304 S CA -0.577 57.604 58.200 -0.032 0.000 1.047 304 S CB -0.524 62.661 63.200 -0.025 0.000 0.828 304 S HN 0.642 nan 8.310 nan 0.000 0.509 305 L N 0.699 121.866 121.223 -0.094 0.000 2.043 305 L HA -0.156 4.184 4.340 0.000 0.000 0.212 305 L C 2.918 179.816 176.870 0.045 0.000 1.075 305 L CA 2.041 56.851 54.840 -0.050 0.000 0.752 305 L CB -0.803 41.166 42.059 -0.150 0.000 0.891 305 L HN 0.800 nan 8.230 nan 0.000 0.432 306 E N 0.677 120.899 120.200 0.037 0.000 2.031 306 E HA -0.199 4.151 4.350 0.000 0.000 0.193 306 E C 2.308 178.967 176.600 0.099 0.000 0.994 306 E CA 1.841 58.298 56.400 0.095 0.000 0.800 306 E CB -0.166 29.578 29.700 0.073 0.000 0.752 306 E HN 0.477 nan 8.360 nan 0.000 0.447 307 S N -0.341 115.399 115.700 0.066 0.000 2.402 307 S HA -0.174 4.297 4.470 0.000 0.000 0.229 307 S C 2.134 176.776 174.600 0.070 0.000 1.021 307 S CA 1.380 59.617 58.200 0.061 0.000 0.974 307 S CB -0.418 62.804 63.200 0.037 0.000 0.800 307 S HN 0.273 nan 8.310 nan 0.000 0.484 308 M N 0.988 120.646 119.600 0.096 0.000 2.159 308 M HA 0.037 4.518 4.480 0.000 0.000 0.263 308 M C 2.179 178.622 176.300 0.238 0.000 1.063 308 M CA 1.317 56.700 55.300 0.138 0.000 1.110 308 M CB -0.718 31.998 32.600 0.193 0.000 1.374 308 M HN 0.299 nan 8.290 nan 0.000 0.411 309 L N 0.013 121.384 121.223 0.246 0.000 2.046 309 L HA -0.228 4.112 4.340 0.000 0.000 0.208 309 L C 2.245 179.286 176.870 0.285 0.000 1.077 309 L CA 0.955 55.982 54.840 0.311 0.000 0.747 309 L CB -0.823 41.324 42.059 0.147 0.000 0.896 309 L HN 0.364 nan 8.230 nan 0.000 0.432 310 N N -0.314 118.487 118.700 0.168 0.000 2.216 310 N HA -0.120 4.620 4.740 0.000 0.000 0.183 310 N C 1.970 177.544 175.510 0.107 0.000 1.017 310 N CA 1.667 54.812 53.050 0.159 0.000 0.861 310 N CB -0.126 38.430 38.487 0.116 0.000 0.986 310 N HN 0.338 nan 8.380 nan 0.000 0.428 311 S N -0.840 114.836 115.700 -0.041 0.000 2.593 311 S HA 0.210 4.681 4.470 0.000 0.000 0.217 311 S C 1.294 175.501 174.600 -0.655 0.000 0.966 311 S CA 0.431 58.523 58.200 -0.181 0.000 0.914 311 S CB 0.029 63.156 63.200 -0.122 0.000 0.776 311 S HN 0.379 nan 8.310 nan 0.000 0.523 312 G N 1.986 110.183 108.800 -1.006 0.000 2.221 312 G HA2 -0.285 3.675 3.960 0.000 0.000 0.265 312 G HA3 -0.285 3.675 3.960 0.000 0.000 0.265 312 G C -0.074 173.996 174.900 -1.384 0.000 1.041 312 G CA 0.086 43.968 45.100 -2.030 0.000 0.807 312 G HN 0.591 nan 8.290 nan 0.000 0.502 313 N N 0.561 118.870 118.700 -0.651 0.000 2.895 313 N HA 0.519 5.259 4.740 0.000 0.000 0.277 313 N C -0.133 175.330 175.510 -0.077 0.000 1.185 313 N CA -0.104 52.755 53.050 -0.319 0.000 1.106 313 N CB -0.803 37.619 38.487 -0.107 0.000 1.422 313 N HN 0.722 nan 8.380 nan 0.000 0.521 314 F N -1.099 118.805 119.950 -0.078 0.000 2.799 314 F HA 0.381 4.908 4.527 0.000 0.000 0.316 314 F C -0.323 175.506 175.800 0.049 0.000 1.155 314 F CA -1.418 56.606 58.000 0.040 0.000 0.916 314 F CB 0.586 39.677 39.000 0.152 0.000 1.294 314 F HN -0.156 nan 8.300 nan 0.000 0.447 315 K N 1.445 122.100 120.400 0.424 0.000 2.472 315 K HA 0.131 4.452 4.320 0.000 0.000 0.280 315 K C -0.913 175.971 176.600 0.474 0.000 1.028 315 K CA 0.000 56.465 56.287 0.297 0.000 1.045 315 K CB 0.447 33.065 32.500 0.197 0.000 0.902 315 K HN 0.613 nan 8.250 nan 0.000 0.478 316 K N 2.774 123.313 120.400 0.231 0.000 2.266 316 K HA 0.172 4.492 4.320 0.000 0.000 0.274 316 K C -0.392 176.332 176.600 0.207 0.000 1.090 316 K CA -0.118 56.287 56.287 0.196 0.000 0.925 316 K CB 1.527 34.048 32.500 0.034 0.000 1.225 316 K HN 0.647 nan 8.250 nan 0.000 0.458 317 T N 1.129 115.897 114.554 0.356 0.000 2.612 317 T HA 0.325 4.675 4.350 0.000 0.000 0.296 317 T C -1.342 173.559 174.700 0.334 0.000 1.148 317 T CA -0.672 61.581 62.100 0.256 0.000 1.077 317 T CB 0.593 69.572 68.868 0.185 0.000 1.591 317 T HN 0.344 nan 8.240 nan 0.000 0.479 318 Q N 1.011 120.971 119.800 0.265 0.000 2.259 318 Q HA 0.704 5.044 4.340 0.000 0.000 0.246 318 Q C -0.361 175.933 176.000 0.490 0.000 0.920 318 Q CA -0.318 55.703 55.803 0.364 0.000 0.895 318 Q CB 1.060 29.963 28.738 0.274 0.000 1.220 318 Q HN 0.635 nan 8.270 nan 0.000 0.439 319 I N -1.309 119.501 120.570 0.401 0.000 2.730 319 I HA 0.683 4.853 4.170 0.000 0.000 0.298 319 I C -1.443 174.586 176.117 -0.147 0.000 1.089 319 I CA -1.321 60.070 61.300 0.152 0.000 1.041 319 I CB 1.736 39.659 38.000 -0.129 0.000 1.235 319 I HN 0.508 nan 8.210 nan 0.000 0.423 320 L N 7.045 127.935 121.223 -0.555 0.000 2.376 320 L HA 0.786 5.126 4.340 0.000 0.000 0.275 320 L C -1.244 175.421 176.870 -0.342 0.000 0.987 320 L CA -0.527 53.872 54.840 -0.735 0.000 0.828 320 L CB 1.551 42.605 42.059 -1.676 0.000 1.249 320 L HN 0.841 nan 8.230 nan 0.000 0.409 321 L N 2.451 123.618 121.223 -0.093 0.000 2.568 321 L HA 1.117 5.458 4.340 0.000 0.000 0.257 321 L C -0.731 176.003 176.870 -0.226 0.000 1.024 321 L CA -0.371 54.447 54.840 -0.036 0.000 0.854 321 L CB 1.978 43.999 42.059 -0.062 0.000 1.460 321 L HN 0.660 nan 8.230 nan 0.000 0.409 322 G N 0.111 108.566 108.800 -0.576 0.000 2.341 322 G HA2 0.580 4.540 3.960 0.000 0.000 0.299 322 G HA3 0.580 4.540 3.960 0.000 0.000 0.299 322 G C -1.509 173.034 174.900 -0.595 0.000 1.274 322 G CA 0.037 44.481 45.100 -1.093 0.000 0.853 322 G HN 1.533 nan 8.290 nan 0.000 0.493 323 V N -2.582 117.113 119.914 -0.366 0.000 3.159 323 V HA 0.864 4.984 4.120 0.000 0.000 0.308 323 V C -1.110 175.046 176.094 0.102 0.000 1.190 323 V CA -1.378 60.934 62.300 0.020 0.000 1.037 323 V CB 1.829 33.704 31.823 0.087 0.000 1.060 323 V HN 0.726 nan 8.190 nan 0.000 0.437 324 N N 0.774 119.552 118.700 0.129 0.000 2.477 324 N HA 0.481 5.221 4.740 0.000 0.000 0.284 324 N C 0.500 175.964 175.510 -0.077 0.000 1.182 324 N CA -0.479 52.613 53.050 0.070 0.000 0.949 324 N CB 1.690 40.323 38.487 0.244 0.000 1.204 324 N HN 0.954 nan 8.380 nan 0.000 0.526 325 K N -0.104 120.177 120.400 -0.199 0.000 2.155 325 K HA 0.039 4.359 4.320 0.000 0.000 0.203 325 K C -0.529 176.166 176.600 0.158 0.000 1.052 325 K CA 1.527 57.767 56.287 -0.078 0.000 0.948 325 K CB 0.270 32.710 32.500 -0.101 0.000 0.728 325 K HN 0.474 nan 8.250 nan 0.000 0.448 326 D N 1.259 121.741 120.400 0.137 0.000 2.749 326 D HA 0.038 4.678 4.640 0.000 0.000 0.338 326 D C -0.054 176.356 176.300 0.184 0.000 1.236 326 D CA -0.100 53.994 54.000 0.156 0.000 0.845 326 D CB 1.096 41.959 40.800 0.104 0.000 1.080 326 D HN 0.186 nan 8.370 nan 0.000 0.497 327 E N 0.536 120.874 120.200 0.230 0.000 2.118 327 E HA -0.123 4.227 4.350 0.000 0.000 0.195 327 E C 1.989 178.789 176.600 0.333 0.000 0.992 327 E CA 0.743 57.334 56.400 0.317 0.000 0.804 327 E CB 0.104 29.985 29.700 0.302 0.000 0.741 327 E HN 0.412 nan 8.360 nan 0.000 0.458 328 G N 1.086 110.044 108.800 0.264 0.000 2.623 328 G HA2 -0.158 3.802 3.960 0.000 0.000 0.214 328 G HA3 -0.158 3.802 3.960 0.000 0.000 0.214 328 G C 1.723 176.777 174.900 0.255 0.000 1.138 328 G CA 0.798 46.079 45.100 0.301 0.000 0.794 328 G HN 0.356 nan 8.290 nan 0.000 0.535 329 S N 0.514 116.295 115.700 0.135 0.000 2.368 329 S HA -0.087 4.383 4.470 0.000 0.000 0.224 329 S C 2.049 176.568 174.600 -0.134 0.000 1.029 329 S CA 0.766 58.972 58.200 0.010 0.000 0.988 329 S CB -0.547 62.551 63.200 -0.168 0.000 0.838 329 S HN 0.125 nan 8.310 nan 0.000 0.462 330 F N 2.299 122.026 119.950 -0.371 0.000 2.091 330 F HA -0.052 4.475 4.527 0.000 0.000 0.299 330 F C 1.797 177.273 175.800 -0.540 0.000 1.103 330 F CA 0.966 58.603 58.000 -0.606 0.000 1.228 330 F CB -0.775 37.686 39.000 -0.898 0.000 0.984 330 F HN 0.196 nan 8.300 nan 0.000 0.477 331 F N -0.894 119.066 119.950 0.017 0.000 2.407 331 F HA -0.065 4.463 4.527 0.000 0.000 0.299 331 F C 2.130 177.916 175.800 -0.024 0.000 1.097 331 F CA 0.572 58.540 58.000 -0.054 0.000 1.422 331 F CB -1.027 37.844 39.000 -0.214 0.000 1.067 331 F HN -0.102 nan 8.300 nan 0.000 0.539 332 L N -0.646 120.587 121.223 0.016 0.000 2.072 332 L HA -0.153 4.187 4.340 0.000 0.000 0.205 332 L C 2.428 179.165 176.870 -0.221 0.000 1.079 332 L CA 0.616 55.262 54.840 -0.323 0.000 0.752 332 L CB -0.638 40.835 42.059 -0.976 0.000 0.906 332 L HN 0.147 nan 8.230 nan 0.000 0.436 333 L N -1.319 119.913 121.223 0.016 0.000 2.079 333 L HA -0.246 4.094 4.340 0.000 0.000 0.210 333 L C 2.222 179.203 176.870 0.185 0.000 1.081 333 L CA 1.946 56.931 54.840 0.243 0.000 0.752 333 L CB -0.481 41.730 42.059 0.253 0.000 0.896 333 L HN 0.130 nan 8.230 nan 0.000 0.433 334 Y N -1.161 119.194 120.300 0.091 0.000 2.397 334 Y HA 0.221 4.771 4.550 0.000 0.000 0.292 334 Y C 2.231 178.146 175.900 0.024 0.000 1.115 334 Y CA 1.035 59.180 58.100 0.075 0.000 1.208 334 Y CB 0.042 38.534 38.460 0.054 0.000 1.046 334 Y HN 0.229 nan 8.280 nan 0.000 0.552 335 G N -1.667 107.226 108.800 0.154 0.000 3.443 335 G HA2 0.470 4.430 3.960 0.000 0.000 0.252 335 G HA3 0.470 4.430 3.960 0.000 0.000 0.252 335 G C -0.263 174.688 174.900 0.085 0.000 1.015 335 G CA 0.396 45.546 45.100 0.084 0.000 0.891 335 G HN 0.245 nan 8.290 nan 0.000 0.510 336 A N 1.355 124.253 122.820 0.131 0.000 2.342 336 A HA 0.827 5.147 4.320 0.000 0.000 0.323 336 A C -2.720 175.034 177.584 0.283 0.000 1.125 336 A CA -1.587 50.566 52.037 0.194 0.000 0.785 336 A CB 1.553 20.680 19.000 0.212 0.000 1.221 336 A HN 0.025 nan 8.150 nan 0.000 0.463 337 P HA 0.327 nan 4.420 nan 0.000 0.268 337 P C 0.889 178.197 177.300 0.012 0.000 1.204 337 P CA 1.426 64.576 63.100 0.083 0.000 0.768 337 P CB 1.058 32.778 31.700 0.034 0.000 0.842 338 G N 1.612 110.368 108.800 -0.073 0.000 2.238 338 G HA2 -0.194 3.767 3.960 0.000 0.000 0.217 338 G HA3 -0.194 3.767 3.960 0.000 0.000 0.217 338 G C -0.272 174.380 174.900 -0.413 0.000 0.996 338 G CA -0.571 44.355 45.100 -0.289 0.000 0.632 338 G HN 0.410 nan 8.290 nan 0.000 0.503 339 F N 2.397 122.280 119.950 -0.112 0.000 2.404 339 F HA 0.698 5.226 4.527 0.000 0.000 0.339 339 F C 0.750 176.551 175.800 0.001 0.000 1.105 339 F CA -0.075 57.831 58.000 -0.157 0.000 1.087 339 F CB 2.136 41.075 39.000 -0.101 0.000 1.143 339 F HN 0.142 nan 8.300 nan 0.000 0.491 340 S N 1.349 117.178 115.700 0.215 0.000 2.627 340 S HA 0.358 4.828 4.470 0.000 0.000 0.283 340 S C 0.419 175.268 174.600 0.414 0.000 1.127 340 S CA -1.215 57.143 58.200 0.263 0.000 0.863 340 S CB 2.261 65.538 63.200 0.129 0.000 1.121 340 S HN 0.695 nan 8.310 nan 0.000 0.479 341 K N 0.166 120.714 120.400 0.247 0.000 2.228 341 K HA 0.000 4.320 4.320 0.000 0.000 0.202 341 K C -0.147 176.474 176.600 0.035 0.000 1.051 341 K CA 1.110 57.445 56.287 0.081 0.000 0.960 341 K CB -0.005 32.255 32.500 -0.399 0.000 0.743 341 K HN 0.570 nan 8.250 nan 0.000 0.458 342 D N 0.472 120.892 120.400 0.032 0.000 2.402 342 D HA 0.011 4.651 4.640 0.000 0.000 0.216 342 D C 0.123 176.451 176.300 0.047 0.000 1.128 342 D CA 0.132 54.130 54.000 -0.003 0.000 0.833 342 D CB 0.928 41.700 40.800 -0.046 0.000 0.971 342 D HN 0.129 nan 8.370 nan 0.000 0.503 343 S N -0.796 114.969 115.700 0.110 0.000 2.661 343 S HA 0.239 4.710 4.470 0.000 0.000 0.285 343 S C 0.574 175.249 174.600 0.125 0.000 1.138 343 S CA -0.660 57.584 58.200 0.074 0.000 0.855 343 S CB 2.766 65.969 63.200 0.004 0.000 1.136 343 S HN -0.134 nan 8.310 nan 0.000 0.484 344 E N 0.615 120.839 120.200 0.039 0.000 2.418 344 E HA 0.040 4.391 4.350 0.000 0.000 0.197 344 E C -0.490 175.969 176.600 -0.236 0.000 1.026 344 E CA 0.579 56.994 56.400 0.025 0.000 0.862 344 E CB -0.188 29.517 29.700 0.009 0.000 0.799 344 E HN 0.747 nan 8.360 nan 0.000 0.518 345 S N 0.938 116.431 115.700 -0.346 0.000 3.572 345 S HA -0.166 4.304 4.470 0.000 0.000 0.394 345 S C -0.426 173.854 174.600 -0.534 0.000 0.923 345 S CA 0.649 58.494 58.200 -0.592 0.000 1.291 345 S CB -1.006 61.506 63.200 -1.147 0.000 0.914 345 S HN 0.253 nan 8.310 nan 0.000 0.545 346 K N 1.124 121.324 120.400 -0.334 0.000 2.298 346 K HA 0.401 4.721 4.320 0.000 0.000 0.280 346 K C 0.221 176.631 176.600 -0.316 0.000 1.032 346 K CA -0.270 55.857 56.287 -0.266 0.000 0.958 346 K CB 0.478 32.881 32.500 -0.162 0.000 0.978 346 K HN 0.210 nan 8.250 nan 0.000 0.472 347 I N 3.035 123.434 120.570 -0.284 0.000 2.355 347 I HA 0.071 4.241 4.170 0.000 0.000 0.288 347 I C 0.644 176.677 176.117 -0.141 0.000 0.999 347 I CA -0.483 60.651 61.300 -0.276 0.000 1.163 347 I CB 0.849 38.671 38.000 -0.297 0.000 1.316 347 I HN 0.705 nan 8.210 nan 0.000 0.454 348 S N 5.946 121.573 115.700 -0.122 0.000 2.572 348 S HA 0.073 4.543 4.470 0.000 0.000 0.267 348 S C 1.324 175.905 174.600 -0.031 0.000 1.361 348 S CA -0.159 57.996 58.200 -0.076 0.000 1.009 348 S CB 1.203 64.366 63.200 -0.062 0.000 0.888 348 S HN 0.628 nan 8.310 nan 0.000 0.553 349 R N 0.971 121.446 120.500 -0.041 0.000 2.105 349 R HA -0.125 4.215 4.340 0.000 0.000 0.239 349 R C 2.311 178.653 176.300 0.071 0.000 1.135 349 R CA 2.268 58.357 56.100 -0.019 0.000 0.967 349 R CB -0.901 29.373 30.300 -0.044 0.000 0.861 349 R HN 0.948 nan 8.270 nan 0.000 0.442 350 E N -0.430 119.794 120.200 0.041 0.000 2.077 350 E HA -0.180 4.170 4.350 0.000 0.000 0.193 350 E C 0.932 177.565 176.600 0.056 0.000 0.989 350 E CA 1.609 58.038 56.400 0.048 0.000 0.800 350 E CB -0.020 29.692 29.700 0.020 0.000 0.746 350 E HN 0.337 nan 8.360 nan 0.000 0.452 351 D N -0.380 120.042 120.400 0.035 0.000 2.234 351 D HA -0.108 4.532 4.640 0.000 0.000 0.205 351 D C 1.494 177.831 176.300 0.062 0.000 0.962 351 D CA 0.391 54.401 54.000 0.017 0.000 0.855 351 D CB -0.214 40.550 40.800 -0.060 0.000 0.951 351 D HN 0.210 nan 8.370 nan 0.000 0.500 352 F N 1.081 121.005 119.950 -0.043 0.000 2.102 352 F HA -0.144 4.383 4.527 0.000 0.000 0.298 352 F C 2.294 178.099 175.800 0.008 0.000 1.105 352 F CA 1.290 59.279 58.000 -0.018 0.000 1.239 352 F CB -0.127 38.843 39.000 -0.049 0.000 0.991 352 F HN -0.184 nan 8.300 nan 0.000 0.474 353 M N 0.000 119.712 119.600 0.186 0.000 2.086 353 M HA -0.216 4.265 4.480 0.000 0.000 0.261 353 M C 2.463 178.751 176.300 -0.019 0.000 1.067 353 M CA 2.145 57.499 55.300 0.090 0.000 1.116 353 M CB -0.643 32.038 32.600 0.136 0.000 1.348 353 M HN 0.368 nan 8.290 nan 0.000 0.407 354 S N -0.051 115.650 115.700 0.001 0.000 2.402 354 S HA -0.050 4.420 4.470 0.000 0.000 0.229 354 S C 2.025 176.604 174.600 -0.036 0.000 1.021 354 S CA 1.039 59.233 58.200 -0.010 0.000 0.974 354 S CB -1.311 61.895 63.200 0.011 0.000 0.800 354 S HN 0.547 nan 8.310 nan 0.000 0.484 355 G N 2.032 110.797 108.800 -0.057 0.000 2.476 355 G HA2 -0.230 3.731 3.960 0.000 0.000 0.218 355 G HA3 -0.230 3.731 3.960 0.000 0.000 0.218 355 G C 1.615 176.414 174.900 -0.169 0.000 1.164 355 G CA 1.374 46.423 45.100 -0.084 0.000 0.768 355 G HN 0.875 nan 8.290 nan 0.000 0.560 356 V N -0.032 119.714 119.914 -0.279 0.000 2.427 356 V HA -0.003 4.118 4.120 0.000 0.000 0.248 356 V C 2.392 178.410 176.094 -0.128 0.000 1.051 356 V CA 2.742 64.905 62.300 -0.228 0.000 1.048 356 V CB -0.417 31.260 31.823 -0.244 0.000 0.666 356 V HN 0.375 nan 8.190 nan 0.000 0.456 357 K N -0.776 119.564 120.400 -0.099 0.000 2.057 357 K HA -0.113 4.208 4.320 0.000 0.000 0.206 357 K C 2.185 178.736 176.600 -0.083 0.000 1.050 357 K CA 1.718 57.952 56.287 -0.089 0.000 0.935 357 K CB -0.228 32.236 32.500 -0.060 0.000 0.715 357 K HN 0.443 nan 8.250 nan 0.000 0.439 358 L N 1.166 122.359 121.223 -0.050 0.000 2.013 358 L HA -0.201 4.139 4.340 0.000 0.000 0.212 358 L C 2.301 179.154 176.870 -0.028 0.000 1.073 358 L CA 1.717 56.544 54.840 -0.023 0.000 0.753 358 L CB -1.124 40.935 42.059 0.000 0.000 0.890 358 L HN 0.139 nan 8.230 nan 0.000 0.432 359 S N -1.566 114.104 115.700 -0.050 0.000 2.387 359 S HA 0.007 4.477 4.470 0.000 0.000 0.226 359 S C 1.056 175.621 174.600 -0.057 0.000 1.026 359 S CA 0.424 58.600 58.200 -0.040 0.000 0.972 359 S CB 0.188 63.347 63.200 -0.069 0.000 0.814 359 S HN 0.183 nan 8.310 nan 0.000 0.477 360 V N 3.533 123.372 119.914 -0.125 0.000 2.326 360 V HA 0.220 4.341 4.120 0.000 0.000 0.254 360 V C -1.910 173.999 176.094 -0.308 0.000 1.022 360 V CA -1.201 60.957 62.300 -0.237 0.000 1.074 360 V CB 0.851 32.512 31.823 -0.269 0.000 1.305 360 V HN 0.236 nan 8.190 nan 0.000 0.506 361 P HA -0.096 nan 4.420 nan 0.000 0.233 361 P C 1.026 177.819 177.300 -0.845 0.000 1.167 361 P CA 1.060 63.927 63.100 -0.387 0.000 0.770 361 P CB 0.089 31.680 31.700 -0.181 0.000 0.837 362 H N -1.067 117.657 119.070 -0.577 0.000 2.553 362 H HA 0.418 4.974 4.556 0.000 0.000 0.265 362 H C 0.420 175.576 175.328 -0.287 0.000 0.964 362 H CA -0.249 55.501 56.048 -0.497 0.000 1.156 362 H CB -0.525 29.148 29.762 -0.149 0.000 1.411 362 H HN -0.072 nan 8.280 nan 0.000 0.558 363 A N 2.625 125.050 122.820 -0.658 0.000 2.388 363 A HA 0.198 4.518 4.320 0.000 0.000 0.257 363 A C 0.476 177.911 177.584 -0.247 0.000 1.095 363 A CA -0.392 51.386 52.037 -0.431 0.000 0.791 363 A CB 0.307 19.069 19.000 -0.397 0.000 1.029 363 A HN 0.680 nan 8.150 nan 0.000 0.489 364 N N 1.470 120.075 118.700 -0.158 0.000 2.285 364 N HA 0.034 4.774 4.740 0.000 0.000 0.262 364 N C -0.038 175.423 175.510 -0.082 0.000 1.299 364 N CA -0.052 52.938 53.050 -0.098 0.000 0.930 364 N CB 0.111 38.561 38.487 -0.063 0.000 1.157 364 N HN 0.490 nan 8.380 nan 0.000 0.532 365 D N -1.014 119.358 120.400 -0.048 0.000 2.178 365 D HA -0.094 4.547 4.640 0.000 0.000 0.201 365 D C 1.674 177.969 176.300 -0.008 0.000 0.980 365 D CA 0.592 54.578 54.000 -0.024 0.000 0.842 365 D CB -0.209 40.585 40.800 -0.009 0.000 0.948 365 D HN 0.445 nan 8.370 nan 0.000 0.472 366 L N 0.595 121.810 121.223 -0.014 0.000 2.056 366 L HA 0.042 4.382 4.340 0.000 0.000 0.207 366 L C 2.207 179.084 176.870 0.012 0.000 1.078 366 L CA 1.812 56.655 54.840 0.005 0.000 0.749 366 L CB -0.804 41.252 42.059 -0.006 0.000 0.901 366 L HN 0.058 nan 8.230 nan 0.000 0.433 367 G N -0.424 108.355 108.800 -0.034 0.000 2.440 367 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 367 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 367 G C 1.583 176.485 174.900 0.003 0.000 1.154 367 G CA 1.143 46.215 45.100 -0.047 0.000 0.767 367 G HN 0.422 nan 8.290 nan 0.000 0.552 368 L N 0.434 121.646 121.223 -0.020 0.000 2.083 368 L HA -0.064 4.276 4.340 0.000 0.000 0.209 368 L C 2.512 179.424 176.870 0.071 0.000 1.083 368 L CA 1.166 56.010 54.840 0.006 0.000 0.752 368 L CB -0.395 41.652 42.059 -0.021 0.000 0.899 368 L HN 0.100 nan 8.230 nan 0.000 0.433 369 D N 0.282 120.729 120.400 0.078 0.000 2.117 369 D HA -0.147 4.493 4.640 0.000 0.000 0.197 369 D C 2.247 178.634 176.300 0.144 0.000 0.987 369 D CA 1.477 55.545 54.000 0.114 0.000 0.829 369 D CB -0.058 40.797 40.800 0.092 0.000 0.961 369 D HN 0.305 nan 8.370 nan 0.000 0.460 370 A N 0.807 123.728 122.820 0.169 0.000 1.865 370 A HA -0.176 4.144 4.320 0.000 0.000 0.217 370 A C 2.582 180.274 177.584 0.179 0.000 1.191 370 A CA 1.658 53.853 52.037 0.263 0.000 0.623 370 A CB -0.917 18.341 19.000 0.431 0.000 0.826 370 A HN 0.144 nan 8.150 nan 0.000 0.444 371 V N -0.237 119.812 119.914 0.225 0.000 2.255 371 V HA -0.259 3.861 4.120 0.000 0.000 0.247 371 V C 2.754 178.938 176.094 0.149 0.000 1.051 371 V CA 2.557 64.930 62.300 0.121 0.000 1.018 371 V CB -1.444 30.474 31.823 0.157 0.000 0.641 371 V HN 0.625 nan 8.190 nan 0.000 0.445 372 T N 0.574 115.241 114.554 0.189 0.000 2.720 372 T HA -0.224 4.127 4.350 0.000 0.000 0.268 372 T C 1.876 176.722 174.700 0.243 0.000 1.037 372 T CA 2.040 64.320 62.100 0.301 0.000 1.144 372 T CB -0.376 68.668 68.868 0.293 0.000 0.864 372 T HN 0.327 nan 8.240 nan 0.000 0.444 373 L N 1.116 122.444 121.223 0.175 0.000 2.056 373 L HA 0.024 4.364 4.340 0.000 0.000 0.207 373 L C 2.434 179.302 176.870 -0.003 0.000 1.078 373 L CA 1.770 56.707 54.840 0.162 0.000 0.749 373 L CB -0.773 41.363 42.059 0.129 0.000 0.901 373 L HN 0.111 nan 8.230 nan 0.000 0.433 374 Q N -1.569 118.127 119.800 -0.174 0.000 2.291 374 Q HA -0.172 4.168 4.340 0.000 0.000 0.205 374 Q C 0.857 176.585 176.000 -0.454 0.000 0.970 374 Q CA 1.740 57.260 55.803 -0.472 0.000 0.876 374 Q CB -0.117 27.974 28.738 -1.079 0.000 0.935 374 Q HN 0.694 nan 8.270 nan 0.000 0.455 375 Y N -1.578 118.666 120.300 -0.094 0.000 2.588 375 Y HA 0.336 4.886 4.550 0.000 0.000 0.247 375 Y C -0.265 175.609 175.900 -0.043 0.000 1.157 375 Y CA -0.298 57.810 58.100 0.013 0.000 1.215 375 Y CB 1.173 39.732 38.460 0.165 0.000 1.245 375 Y HN -0.177 nan 8.280 nan 0.000 0.534 376 T N 0.884 115.388 114.554 -0.083 0.000 2.795 376 T HA 0.106 4.456 4.350 0.000 0.000 0.282 376 T C -0.838 173.619 174.700 -0.406 0.000 0.980 376 T CA -0.633 61.206 62.100 -0.435 0.000 1.012 376 T CB 1.083 69.480 68.868 -0.784 0.000 0.936 376 T HN -0.017 nan 8.240 nan 0.000 0.457 377 D N 1.729 121.903 120.400 -0.376 0.000 2.336 377 D HA 0.097 4.737 4.640 0.000 0.000 0.249 377 D C -0.112 176.014 176.300 -0.290 0.000 1.213 377 D CA -0.619 53.243 54.000 -0.230 0.000 0.870 377 D CB 0.529 41.237 40.800 -0.152 0.000 1.076 377 D HN 0.625 nan 8.370 nan 0.000 0.483 378 W N 3.421 124.678 121.300 -0.071 0.000 3.180 378 W HA 0.050 4.710 4.660 0.000 0.000 0.254 378 W C 1.927 178.413 176.519 -0.054 0.000 1.318 378 W CA -0.202 57.103 57.345 -0.065 0.000 1.608 378 W CB 0.178 29.604 29.460 -0.057 0.000 1.124 378 W HN 0.418 nan 8.180 nan 0.000 0.694 379 M N -1.184 118.492 119.600 0.128 0.000 2.447 379 M HA 0.035 4.515 4.480 0.000 0.000 0.264 379 M C 0.212 176.527 176.300 0.025 0.000 1.095 379 M CA 1.373 56.717 55.300 0.073 0.000 1.125 379 M CB -0.114 32.507 32.600 0.035 0.000 1.389 379 M HN -0.178 nan 8.290 nan 0.000 0.459 380 D N 0.678 121.056 120.400 -0.038 0.000 3.078 380 D HA 0.032 4.672 4.640 0.000 0.000 0.363 380 D C 0.498 176.695 176.300 -0.172 0.000 1.391 380 D CA 0.025 53.978 54.000 -0.078 0.000 0.754 380 D CB 0.254 41.011 40.800 -0.070 0.000 1.238 380 D HN 0.230 nan 8.370 nan 0.000 0.500 381 D N -0.868 119.403 120.400 -0.216 0.000 2.264 381 D HA -0.132 4.508 4.640 0.000 0.000 0.208 381 D C 0.726 176.840 176.300 -0.310 0.000 0.966 381 D CA 0.353 54.094 54.000 -0.431 0.000 0.864 381 D CB 0.114 40.528 40.800 -0.644 0.000 0.933 381 D HN 0.124 nan 8.370 nan 0.000 0.499 382 N N 0.609 119.208 118.700 -0.169 0.000 2.322 382 N HA -0.034 4.706 4.740 0.000 0.000 0.194 382 N C -0.201 175.234 175.510 -0.124 0.000 1.126 382 N CA -0.080 52.893 53.050 -0.129 0.000 0.845 382 N CB -0.152 38.293 38.487 -0.069 0.000 0.976 382 N HN 0.398 nan 8.380 nan 0.000 0.475 383 N N 0.162 118.776 118.700 -0.143 0.000 2.399 383 N HA 0.072 4.812 4.740 0.000 0.000 0.259 383 N C 1.451 176.888 175.510 -0.120 0.000 1.160 383 N CA -0.334 52.648 53.050 -0.113 0.000 0.946 383 N CB 0.672 39.100 38.487 -0.098 0.000 1.156 383 N HN 0.032 nan 8.380 nan 0.000 0.489 384 G N 3.585 112.323 108.800 -0.103 0.000 2.450 384 G HA2 -0.217 3.743 3.960 0.000 0.000 0.220 384 G HA3 -0.217 3.743 3.960 0.000 0.000 0.220 384 G C 1.291 176.132 174.900 -0.098 0.000 1.130 384 G CA 0.582 45.615 45.100 -0.112 0.000 0.760 384 G HN 0.656 nan 8.290 nan 0.000 0.557 385 I N -0.128 120.403 120.570 -0.066 0.000 2.286 385 I HA -0.073 4.098 4.170 0.000 0.000 0.245 385 I C 2.766 178.885 176.117 0.003 0.000 1.104 385 I CA 0.989 62.273 61.300 -0.026 0.000 1.397 385 I CB -0.074 37.923 38.000 -0.005 0.000 1.072 385 I HN 0.099 nan 8.210 nan 0.000 0.417 386 K N 0.539 120.923 120.400 -0.027 0.000 2.097 386 K HA -0.102 4.218 4.320 0.000 0.000 0.205 386 K C 1.851 178.439 176.600 -0.020 0.000 1.050 386 K CA 1.035 57.308 56.287 -0.024 0.000 0.938 386 K CB -0.117 32.334 32.500 -0.082 0.000 0.718 386 K HN 0.278 nan 8.250 nan 0.000 0.442 387 N N 0.985 119.639 118.700 -0.077 0.000 2.120 387 N HA -0.189 4.552 4.740 0.000 0.000 0.188 387 N C 1.739 177.395 175.510 0.242 0.000 1.024 387 N CA 1.055 54.103 53.050 -0.004 0.000 0.852 387 N CB -0.198 38.243 38.487 -0.078 0.000 1.003 387 N HN 0.232 nan 8.380 nan 0.000 0.424 388 R N 1.221 121.787 120.500 0.110 0.000 2.061 388 R HA -0.100 4.240 4.340 0.000 0.000 0.230 388 R C 0.912 177.375 176.300 0.271 0.000 1.140 388 R CA 1.569 57.761 56.100 0.154 0.000 0.940 388 R CB -0.163 30.122 30.300 -0.024 0.000 0.839 388 R HN 0.057 nan 8.270 nan 0.000 0.429 389 D N -0.300 120.229 120.400 0.216 0.000 2.190 389 D HA -0.129 4.511 4.640 0.000 0.000 0.200 389 D C 1.719 178.170 176.300 0.252 0.000 0.992 389 D CA 1.558 55.698 54.000 0.233 0.000 0.854 389 D CB -0.498 40.412 40.800 0.184 0.000 0.936 389 D HN 0.568 nan 8.370 nan 0.000 0.462 390 G N 0.546 109.513 108.800 0.279 0.000 2.394 390 G HA2 -0.181 3.780 3.960 0.000 0.000 0.215 390 G HA3 -0.181 3.780 3.960 0.000 0.000 0.215 390 G C 1.573 176.630 174.900 0.262 0.000 1.165 390 G CA 0.119 45.434 45.100 0.359 0.000 0.784 390 G HN 0.154 nan 8.290 nan 0.000 0.535 391 L N 1.303 122.692 121.223 0.277 0.000 2.012 391 L HA -0.049 4.291 4.340 0.000 0.000 0.210 391 L C 2.360 179.270 176.870 0.066 0.000 1.073 391 L CA 2.054 56.937 54.840 0.072 0.000 0.748 391 L CB -0.793 41.372 42.059 0.177 0.000 0.891 391 L HN 0.223 nan 8.230 nan 0.000 0.431 392 D N -0.741 119.762 120.400 0.171 0.000 2.133 392 D HA -0.220 4.420 4.640 0.000 0.000 0.195 392 D C 1.676 178.055 176.300 0.131 0.000 0.997 392 D CA 1.474 55.577 54.000 0.173 0.000 0.840 392 D CB 0.057 41.015 40.800 0.264 0.000 0.947 392 D HN 0.338 nan 8.370 nan 0.000 0.452 393 D N -0.666 119.817 120.400 0.138 0.000 2.162 393 D HA -0.021 4.619 4.640 0.000 0.000 0.203 393 D C 2.320 178.616 176.300 -0.007 0.000 0.967 393 D CA 0.212 54.307 54.000 0.158 0.000 0.840 393 D CB -0.196 40.799 40.800 0.324 0.000 0.972 393 D HN 0.334 nan 8.370 nan 0.000 0.482 394 I N 0.579 120.987 120.570 -0.271 0.000 2.118 394 I HA -0.283 3.888 4.170 0.000 0.000 0.241 394 I C 2.387 178.375 176.117 -0.214 0.000 1.070 394 I CA 0.882 61.964 61.300 -0.363 0.000 1.327 394 I CB -0.236 37.545 38.000 -0.365 0.000 1.034 394 I HN -0.101 nan 8.210 nan 0.000 0.405 395 V N 0.768 120.613 119.914 -0.115 0.000 2.343 395 V HA -0.218 3.902 4.120 0.000 0.000 0.247 395 V C 2.453 178.467 176.094 -0.133 0.000 1.051 395 V CA 2.185 64.434 62.300 -0.084 0.000 1.036 395 V CB -1.422 30.425 31.823 0.039 0.000 0.654 395 V HN 0.608 nan 8.190 nan 0.000 0.451 396 G N -0.551 108.222 108.800 -0.044 0.000 2.396 396 G HA2 -0.165 3.795 3.960 0.000 0.000 0.214 396 G HA3 -0.165 3.795 3.960 0.000 0.000 0.214 396 G C 1.196 176.044 174.900 -0.087 0.000 1.166 396 G CA 0.735 45.829 45.100 -0.010 0.000 0.793 396 G HN 0.482 nan 8.290 nan 0.000 0.533 397 D N 0.092 120.441 120.400 -0.085 0.000 2.104 397 D HA -0.132 4.509 4.640 0.000 0.000 0.194 397 D C 2.068 178.032 176.300 -0.560 0.000 0.994 397 D CA 1.448 55.356 54.000 -0.153 0.000 0.830 397 D CB -0.424 40.459 40.800 0.139 0.000 0.959 397 D HN 0.451 nan 8.370 nan 0.000 0.452 398 H N 0.279 118.725 119.070 -1.039 0.000 2.395 398 H HA 0.082 4.638 4.556 0.000 0.000 0.299 398 H C 1.489 176.449 175.328 -0.613 0.000 1.070 398 H CA 1.460 56.767 56.048 -1.236 0.000 1.356 398 H CB 0.141 29.011 29.762 -1.488 0.000 1.401 398 H HN -0.028 nan 8.280 nan 0.000 0.524 399 N N -0.796 117.486 118.700 -0.696 0.000 2.415 399 N HA 0.020 4.760 4.740 0.000 0.000 0.174 399 N C 1.145 176.413 175.510 -0.404 0.000 1.048 399 N CA 1.048 53.629 53.050 -0.783 0.000 0.895 399 N CB 1.140 38.728 38.487 -1.498 0.000 1.036 399 N HN 0.265 nan 8.380 nan 0.000 0.449 400 V N 0.519 120.269 119.914 -0.274 0.000 3.134 400 V HA 0.177 4.297 4.120 0.000 0.000 0.222 400 V C 2.107 178.180 176.094 -0.035 0.000 1.247 400 V CA 0.002 62.272 62.300 -0.051 0.000 1.281 400 V CB 0.162 32.034 31.823 0.082 0.000 1.169 400 V HN -0.041 nan 8.190 nan 0.000 0.512 401 I N 0.631 121.188 120.570 -0.021 0.000 2.133 401 I HA -0.251 3.919 4.170 0.000 0.000 0.238 401 I C 2.620 178.750 176.117 0.022 0.000 1.074 401 I CA 1.838 63.156 61.300 0.029 0.000 1.342 401 I CB -0.520 37.532 38.000 0.087 0.000 1.053 401 I HN 0.388 nan 8.210 nan 0.000 0.404 402 c N 1.023 119.626 118.600 0.005 0.000 2.432 402 c HA -0.053 4.517 4.570 0.000 0.000 0.277 402 c C 0.345 174.468 174.090 0.056 0.000 1.249 402 c CA 0.747 57.119 56.329 0.072 0.000 1.725 402 c CB -2.045 40.558 42.510 0.156 0.000 2.028 402 c HN 0.356 nan 8.230 nan 0.000 0.477 403 P HA -0.134 nan 4.420 nan 0.000 0.215 403 P C 1.767 179.095 177.300 0.046 0.000 1.153 403 P CA 1.216 64.295 63.100 -0.034 0.000 0.853 403 P CB -0.242 31.347 31.700 -0.185 0.000 0.788 404 L N -2.146 119.083 121.223 0.011 0.000 2.093 404 L HA -0.149 4.192 4.340 0.000 0.000 0.208 404 L C 2.076 178.995 176.870 0.082 0.000 1.085 404 L CA 1.682 56.544 54.840 0.037 0.000 0.755 404 L CB -0.511 41.542 42.059 -0.010 0.000 0.904 404 L HN -0.105 nan 8.230 nan 0.000 0.435 405 M N -0.829 118.811 119.600 0.067 0.000 2.132 405 M HA -0.209 4.272 4.480 0.000 0.000 0.263 405 M C 2.277 178.643 176.300 0.110 0.000 1.065 405 M CA 1.669 57.004 55.300 0.059 0.000 1.122 405 M CB -1.632 31.022 32.600 0.089 0.000 1.365 405 M HN 0.414 nan 8.290 nan 0.000 0.411 406 H N -0.183 118.930 119.070 0.072 0.000 2.352 406 H HA -0.210 4.346 4.556 0.000 0.000 0.299 406 H C 1.843 177.223 175.328 0.086 0.000 1.097 406 H CA 2.234 58.331 56.048 0.082 0.000 1.311 406 H CB -0.408 29.399 29.762 0.074 0.000 1.377 406 H HN 0.279 nan 8.280 nan 0.000 0.504 407 F N -0.222 119.687 119.950 -0.069 0.000 2.146 407 F HA -0.136 4.391 4.527 0.000 0.000 0.298 407 F C 2.489 178.208 175.800 -0.134 0.000 1.096 407 F CA 1.429 59.346 58.000 -0.140 0.000 1.275 407 F CB -0.832 38.096 39.000 -0.120 0.000 1.008 407 F HN 0.132 nan 8.300 nan 0.000 0.480 408 V N 1.129 120.947 119.914 -0.160 0.000 2.358 408 V HA -0.258 3.863 4.120 0.000 0.000 0.246 408 V C 2.194 178.135 176.094 -0.256 0.000 1.047 408 V CA 2.435 64.538 62.300 -0.328 0.000 1.035 408 V CB -0.640 30.917 31.823 -0.443 0.000 0.658 408 V HN 0.430 nan 8.190 nan 0.000 0.452 409 N N 0.081 118.709 118.700 -0.120 0.000 2.084 409 N HA -0.155 4.585 4.740 0.000 0.000 0.190 409 N C 1.832 177.319 175.510 -0.039 0.000 1.030 409 N CA 1.510 54.588 53.050 0.047 0.000 0.849 409 N CB -0.258 38.293 38.487 0.106 0.000 1.012 409 N HN 0.460 nan 8.380 nan 0.000 0.423 410 K N 0.508 120.796 120.400 -0.186 0.000 2.026 410 K HA -0.144 4.177 4.320 0.000 0.000 0.208 410 K C 2.016 178.585 176.600 -0.051 0.000 1.048 410 K CA 0.773 56.981 56.287 -0.133 0.000 0.929 410 K CB -0.717 31.648 32.500 -0.225 0.000 0.713 410 K HN 0.292 nan 8.250 nan 0.000 0.439 411 Y N 2.359 122.400 120.300 -0.432 0.000 2.181 411 Y HA -0.206 4.345 4.550 0.000 0.000 0.288 411 Y C 2.265 178.147 175.900 -0.030 0.000 1.146 411 Y CA 1.825 59.676 58.100 -0.415 0.000 1.164 411 Y CB -0.386 37.512 38.460 -0.936 0.000 0.982 411 Y HN 0.026 nan 8.280 nan 0.000 0.515 412 T N -0.722 113.858 114.554 0.043 0.000 2.897 412 T HA -0.225 4.126 4.350 0.000 0.000 0.271 412 T C 1.990 176.683 174.700 -0.013 0.000 1.084 412 T CA 1.510 63.667 62.100 0.095 0.000 1.123 412 T CB -0.306 68.736 68.868 0.289 0.000 0.865 412 T HN 0.165 nan 8.240 nan 0.000 0.496 413 K N 0.108 120.480 120.400 -0.048 0.000 2.209 413 K HA 0.022 4.343 4.320 0.000 0.000 0.204 413 K C 1.353 177.684 176.600 -0.447 0.000 1.048 413 K CA 0.893 57.053 56.287 -0.211 0.000 0.940 413 K CB -0.506 31.885 32.500 -0.182 0.000 0.729 413 K HN 0.626 nan 8.250 nan 0.000 0.451 414 F N -1.218 118.654 119.950 -0.129 0.000 2.789 414 F HA 0.411 4.938 4.527 0.000 0.000 0.320 414 F C 1.527 177.182 175.800 -0.242 0.000 1.079 414 F CA -0.121 57.764 58.000 -0.190 0.000 1.205 414 F CB 0.231 39.062 39.000 -0.282 0.000 1.046 414 F HN 0.245 nan 8.300 nan 0.000 0.586 415 G N -0.242 108.427 108.800 -0.218 0.000 2.553 415 G HA2 0.014 3.974 3.960 0.000 0.000 0.278 415 G HA3 0.014 3.974 3.960 0.000 0.000 0.278 415 G C 0.290 175.197 174.900 0.011 0.000 1.349 415 G CA -0.275 44.692 45.100 -0.222 0.000 1.037 415 G HN 0.243 nan 8.290 nan 0.000 0.508 416 N N -0.716 118.057 118.700 0.122 0.000 2.291 416 N HA 0.273 5.014 4.740 0.000 0.000 0.244 416 N C 0.137 175.713 175.510 0.111 0.000 1.216 416 N CA 0.412 53.518 53.050 0.093 0.000 0.879 416 N CB 0.579 39.117 38.487 0.086 0.000 1.167 416 N HN 0.852 nan 8.380 nan 0.000 0.515 417 G N 1.040 109.922 108.800 0.136 0.000 1.968 417 G HA2 -0.012 3.948 3.960 0.000 0.000 0.183 417 G HA3 -0.012 3.948 3.960 0.000 0.000 0.183 417 G C -1.126 173.825 174.900 0.084 0.000 1.665 417 G CA -0.673 44.475 45.100 0.081 0.000 1.015 417 G HN 0.020 nan 8.290 nan 0.000 0.624 418 T N 2.015 116.530 114.554 -0.064 0.000 2.824 418 T HA 0.666 5.016 4.350 0.000 0.000 0.280 418 T C -0.921 173.562 174.700 -0.362 0.000 0.995 418 T CA -0.070 61.995 62.100 -0.059 0.000 1.009 418 T CB 1.030 69.945 68.868 0.078 0.000 0.955 418 T HN 0.359 nan 8.240 nan 0.000 0.452 419 Y N 2.125 122.350 120.300 -0.125 0.000 2.361 419 Y HA 0.621 5.171 4.550 0.000 0.000 0.337 419 Y C -0.482 175.449 175.900 0.050 0.000 0.965 419 Y CA -1.161 56.785 58.100 -0.257 0.000 1.091 419 Y CB 1.498 39.366 38.460 -0.987 0.000 1.182 419 Y HN 0.398 nan 8.280 nan 0.000 0.450 420 L N 5.900 127.519 121.223 0.660 0.000 2.346 420 L HA 0.622 4.962 4.340 0.000 0.000 0.276 420 L C -1.329 176.064 176.870 0.871 0.000 1.006 420 L CA -1.131 54.061 54.840 0.586 0.000 0.817 420 L CB 0.819 43.113 42.059 0.391 0.000 1.272 420 L HN 0.539 nan 8.230 nan 0.000 0.421 421 Y N 3.177 123.824 120.300 0.578 0.000 2.576 421 Y HA 0.734 5.284 4.550 0.000 0.000 0.346 421 Y C -1.825 174.342 175.900 0.446 0.000 1.018 421 Y CA -1.957 56.410 58.100 0.444 0.000 1.050 421 Y CB 1.381 40.047 38.460 0.342 0.000 1.280 421 Y HN 0.530 nan 8.280 nan 0.000 0.474 422 F N 4.654 124.894 119.950 0.483 0.000 2.496 422 F HA 0.500 5.027 4.527 0.000 0.000 0.341 422 F C -1.902 174.198 175.800 0.500 0.000 1.134 422 F CA -1.821 56.384 58.000 0.342 0.000 0.968 422 F CB 0.806 39.934 39.000 0.213 0.000 1.205 422 F HN 0.591 nan 8.300 nan 0.000 0.436 423 F N 8.142 128.146 119.950 0.090 0.000 2.411 423 F HA 0.333 4.860 4.527 0.000 0.000 0.355 423 F C 0.074 175.708 175.800 -0.277 0.000 1.117 423 F CA -0.279 57.733 58.000 0.020 0.000 1.139 423 F CB 0.676 39.774 39.000 0.163 0.000 1.120 423 F HN 0.563 nan 8.300 nan 0.000 0.493 424 N N 3.244 121.563 118.700 -0.634 0.000 2.475 424 N HA 0.064 4.804 4.740 0.000 0.000 0.272 424 N C -1.220 174.041 175.510 -0.415 0.000 1.482 424 N CA -0.500 52.291 53.050 -0.432 0.000 0.863 424 N CB -0.849 37.551 38.487 -0.146 0.000 1.400 424 N HN 0.631 nan 8.380 nan 0.000 0.489 425 H N 1.023 119.532 119.070 -0.934 0.000 2.604 425 H HA 0.469 5.025 4.556 0.000 0.000 0.306 425 H C -0.183 174.990 175.328 -0.258 0.000 1.075 425 H CA -0.431 55.270 56.048 -0.578 0.000 1.357 425 H CB 0.831 30.153 29.762 -0.734 0.000 1.426 425 H HN 0.128 nan 8.280 nan 0.000 0.470 426 R N 4.262 124.367 120.500 -0.659 0.000 2.210 426 R HA 0.462 4.802 4.340 0.000 0.000 0.338 426 R C -0.746 175.231 176.300 -0.539 0.000 1.062 426 R CA -0.228 55.630 56.100 -0.404 0.000 0.902 426 R CB -0.035 30.140 30.300 -0.208 0.000 1.050 426 R HN 0.737 nan 8.270 nan 0.000 0.461 427 A N 3.503 126.248 122.820 -0.125 0.000 2.511 427 A HA 0.135 4.455 4.320 0.000 0.000 0.242 427 A C 1.240 178.873 177.584 0.082 0.000 1.069 427 A CA 0.363 52.512 52.037 0.187 0.000 0.763 427 A CB 0.192 19.492 19.000 0.499 0.000 1.001 427 A HN 1.064 nan 8.150 nan 0.000 0.498 428 S N 1.892 117.679 115.700 0.145 0.000 2.368 428 S HA -0.182 4.289 4.470 0.000 0.000 0.224 428 S C 1.142 175.733 174.600 -0.014 0.000 1.029 428 S CA 1.199 59.435 58.200 0.061 0.000 0.988 428 S CB -0.520 62.742 63.200 0.102 0.000 0.838 428 S HN 0.942 nan 8.310 nan 0.000 0.462 429 N N 1.387 120.036 118.700 -0.084 0.000 2.421 429 N HA 0.164 4.904 4.740 0.000 0.000 0.201 429 N C -0.053 175.383 175.510 -0.123 0.000 1.198 429 N CA -0.197 52.751 53.050 -0.171 0.000 0.838 429 N CB -0.852 37.401 38.487 -0.389 0.000 1.011 429 N HN 0.458 nan 8.380 nan 0.000 0.463 430 L N 0.773 121.971 121.223 -0.041 0.000 2.456 430 L HA 0.032 4.372 4.340 0.000 0.000 0.272 430 L C 1.408 178.249 176.870 -0.047 0.000 1.189 430 L CA -0.302 54.534 54.840 -0.007 0.000 0.846 430 L CB 1.153 43.224 42.059 0.020 0.000 1.111 430 L HN 0.149 nan 8.230 nan 0.000 0.475 431 V N -1.037 118.826 119.914 -0.086 0.000 3.661 431 V HA 0.154 4.274 4.120 0.000 0.000 0.271 431 V C 0.386 176.420 176.094 -0.100 0.000 1.315 431 V CA -0.590 61.629 62.300 -0.136 0.000 1.072 431 V CB -0.813 30.842 31.823 -0.279 0.000 0.830 431 V HN 0.608 nan 8.190 nan 0.000 0.443 432 W N 2.336 123.602 121.300 -0.057 0.000 2.184 432 W HA 0.518 5.178 4.660 0.000 0.000 0.338 432 W C -1.821 174.564 176.519 -0.223 0.000 1.257 432 W CA -1.907 55.339 57.345 -0.164 0.000 1.243 432 W CB -0.033 29.214 29.460 -0.355 0.000 1.122 432 W HN 0.021 nan 8.180 nan 0.000 0.585 433 P HA -0.025 nan 4.420 nan 0.000 0.274 433 P C 0.463 177.678 177.300 -0.142 0.000 1.231 433 P CA 0.122 63.182 63.100 -0.067 0.000 0.790 433 P CB 1.103 32.795 31.700 -0.013 0.000 0.951 434 E N 1.576 121.763 120.200 -0.021 0.000 2.114 434 E HA -0.179 4.171 4.350 0.000 0.000 0.199 434 E C 1.851 178.470 176.600 0.033 0.000 1.008 434 E CA 1.595 57.999 56.400 0.006 0.000 0.810 434 E CB -0.469 29.267 29.700 0.060 0.000 0.739 434 E HN 0.709 nan 8.360 nan 0.000 0.456 435 W N -0.046 121.280 121.300 0.044 0.000 2.341 435 W HA -0.150 4.510 4.660 0.000 0.000 0.283 435 W C 1.569 178.120 176.519 0.054 0.000 1.215 435 W CA 0.566 57.948 57.345 0.061 0.000 1.211 435 W CB -0.868 28.644 29.460 0.086 0.000 1.131 435 W HN 0.003 nan 8.180 nan 0.000 0.552 436 M N 1.195 120.418 119.600 -0.629 0.000 2.419 436 M HA 0.122 4.602 4.480 0.000 0.000 0.264 436 M C 1.692 177.807 176.300 -0.308 0.000 1.082 436 M CA 1.660 56.478 55.300 -0.804 0.000 1.119 436 M CB -0.556 31.378 32.600 -1.110 0.000 1.398 436 M HN 0.200 nan 8.290 nan 0.000 0.453 437 G N 0.296 108.998 108.800 -0.163 0.000 2.528 437 G HA2 -0.272 3.688 3.960 0.000 0.000 0.262 437 G HA3 -0.272 3.688 3.960 0.000 0.000 0.262 437 G C -0.318 174.544 174.900 -0.063 0.000 1.200 437 G CA -0.384 44.684 45.100 -0.054 0.000 0.951 437 G HN 0.172 nan 8.290 nan 0.000 0.566 438 V N 1.865 121.779 119.914 -0.000 0.000 2.356 438 V HA 0.417 4.537 4.120 0.000 0.000 0.258 438 V C 1.083 177.240 176.094 0.105 0.000 1.065 438 V CA 0.053 62.391 62.300 0.063 0.000 0.935 438 V CB 0.210 32.070 31.823 0.062 0.000 1.061 438 V HN 0.545 nan 8.190 nan 0.000 0.484 439 I N 3.172 123.791 120.570 0.080 0.000 2.612 439 I HA 0.246 4.416 4.170 0.000 0.000 0.295 439 I C 0.750 177.077 176.117 0.350 0.000 1.011 439 I CA -0.849 60.505 61.300 0.091 0.000 1.326 439 I CB 0.540 38.388 38.000 -0.254 0.000 1.427 439 I HN 0.561 nan 8.210 nan 0.000 0.537 440 H N 3.580 122.783 119.070 0.223 0.000 3.216 440 H HA 0.090 4.647 4.556 0.000 0.000 0.283 440 H C 0.971 176.424 175.328 0.209 0.000 0.921 440 H CA 1.338 57.501 56.048 0.193 0.000 1.419 440 H CB -0.036 29.789 29.762 0.106 0.000 1.460 440 H HN 0.766 nan 8.280 nan 0.000 0.553 441 G N 3.574 112.300 108.800 -0.123 0.000 2.234 441 G HA2 -0.341 3.620 3.960 0.000 0.000 0.235 441 G HA3 -0.341 3.620 3.960 0.000 0.000 0.235 441 G C 0.783 175.745 174.900 0.104 0.000 0.997 441 G CA 0.359 45.397 45.100 -0.102 0.000 0.623 441 G HN 0.614 nan 8.290 nan 0.000 0.514 442 Y N 1.958 122.392 120.300 0.224 0.000 2.578 442 Y HA 0.143 4.693 4.550 0.000 0.000 0.297 442 Y C 2.537 178.552 175.900 0.191 0.000 1.176 442 Y CA 1.232 59.514 58.100 0.303 0.000 1.315 442 Y CB 0.179 38.855 38.460 0.359 0.000 1.031 442 Y HN 0.537 nan 8.280 nan 0.000 0.524 443 E N 0.854 120.999 120.200 -0.091 0.000 2.208 443 E HA -0.148 4.203 4.350 0.000 0.000 0.193 443 E C 1.768 178.293 176.600 -0.126 0.000 0.988 443 E CA 0.997 57.028 56.400 -0.614 0.000 0.828 443 E CB -0.607 28.467 29.700 -1.043 0.000 0.763 443 E HN 0.539 nan 8.360 nan 0.000 0.478 444 I N 2.575 123.165 120.570 0.035 0.000 2.118 444 I HA -0.353 3.817 4.170 0.000 0.000 0.241 444 I C 2.622 178.787 176.117 0.081 0.000 1.070 444 I CA 2.221 63.590 61.300 0.115 0.000 1.327 444 I CB -0.620 37.511 38.000 0.218 0.000 1.034 444 I HN 0.183 nan 8.210 nan 0.000 0.405 445 E N 0.898 121.110 120.200 0.019 0.000 2.136 445 E HA -0.285 4.066 4.350 0.000 0.000 0.202 445 E C 2.119 178.565 176.600 -0.257 0.000 1.019 445 E CA 1.865 58.189 56.400 -0.126 0.000 0.819 445 E CB -0.727 28.888 29.700 -0.143 0.000 0.739 445 E HN 0.482 nan 8.360 nan 0.000 0.458 446 F N 1.030 120.886 119.950 -0.157 0.000 2.187 446 F HA -0.052 4.475 4.527 0.000 0.000 0.295 446 F C 2.544 178.167 175.800 -0.295 0.000 1.091 446 F CA 0.594 58.462 58.000 -0.220 0.000 1.308 446 F CB -0.441 38.474 39.000 -0.142 0.000 1.030 446 F HN -0.172 nan 8.300 nan 0.000 0.487 447 V N -0.813 118.997 119.914 -0.174 0.000 2.392 447 V HA -0.303 3.817 4.120 0.000 0.000 0.249 447 V C 1.703 177.590 176.094 -0.344 0.000 1.059 447 V CA 1.753 63.798 62.300 -0.425 0.000 1.051 447 V CB -0.667 30.901 31.823 -0.425 0.000 0.658 447 V HN 0.231 nan 8.190 nan 0.000 0.455 448 F N -0.058 119.755 119.950 -0.229 0.000 2.732 448 F HA 0.433 4.961 4.527 0.001 0.000 0.303 448 F C 1.746 177.449 175.800 -0.162 0.000 1.110 448 F CA 0.721 58.613 58.000 -0.181 0.000 1.355 448 F CB 0.272 39.144 39.000 -0.213 0.000 1.081 448 F HN 0.251 nan 8.300 nan 0.000 0.565 449 G N -0.051 108.660 108.800 -0.148 0.000 2.176 449 G HA2 -0.278 3.683 3.960 0.000 0.000 0.253 449 G HA3 -0.278 3.683 3.960 0.000 0.000 0.253 449 G C 1.228 175.800 174.900 -0.546 0.000 0.979 449 G CA 0.358 45.309 45.100 -0.249 0.000 0.641 449 G HN 0.346 nan 8.290 nan 0.000 0.530 450 L N 0.142 121.021 121.223 -0.574 0.000 2.131 450 L HA -0.051 4.289 4.340 0.000 0.000 0.210 450 L C -0.029 176.384 176.870 -0.762 0.000 1.092 450 L CA 1.980 56.419 54.840 -0.669 0.000 0.759 450 L CB -1.281 40.516 42.059 -0.437 0.000 0.903 450 L HN 0.194 nan 8.230 nan 0.000 0.435 451 P HA -0.125 nan 4.420 nan 0.000 0.231 451 P C 1.626 178.633 177.300 -0.489 0.000 1.158 451 P CA 0.963 63.372 63.100 -1.151 0.000 0.763 451 P CB 0.081 31.044 31.700 -1.229 0.000 0.805 452 L N -1.503 119.465 121.223 -0.424 0.000 2.509 452 L HA 0.075 4.415 4.340 0.000 0.000 0.222 452 L C 1.045 177.799 176.870 -0.194 0.000 1.123 452 L CA 0.397 55.089 54.840 -0.247 0.000 0.856 452 L CB -0.227 41.718 42.059 -0.189 0.000 0.985 452 L HN -0.074 nan 8.230 nan 0.000 0.456 453 V N -0.662 119.093 119.914 -0.265 0.000 2.385 453 V HA 0.071 4.191 4.120 0.000 0.000 0.269 453 V C 1.432 177.488 176.094 -0.063 0.000 1.043 453 V CA -0.118 62.089 62.300 -0.155 0.000 0.906 453 V CB 1.603 33.306 31.823 -0.200 0.000 0.995 453 V HN 0.062 nan 8.190 nan 0.000 0.467 454 K N 3.855 124.235 120.400 -0.033 0.000 2.063 454 K HA -0.113 4.207 4.320 0.000 0.000 0.208 454 K C 1.927 178.523 176.600 -0.006 0.000 1.048 454 K CA 2.060 58.340 56.287 -0.011 0.000 0.928 454 K CB -0.383 32.111 32.500 -0.010 0.000 0.713 454 K HN 1.043 nan 8.250 nan 0.000 0.442 455 E N 0.579 120.769 120.200 -0.017 0.000 2.511 455 E HA -0.044 4.307 4.350 0.000 0.000 0.196 455 E C 1.496 178.075 176.600 -0.035 0.000 1.066 455 E CA 0.548 56.933 56.400 -0.025 0.000 0.871 455 E CB -0.186 29.497 29.700 -0.028 0.000 0.863 455 E HN 0.377 nan 8.360 nan 0.000 0.520 456 L N 0.703 121.919 121.223 -0.011 0.000 2.599 456 L HA 0.027 4.368 4.340 0.000 0.000 0.230 456 L C -0.157 176.653 176.870 -0.100 0.000 1.141 456 L CA 0.051 54.881 54.840 -0.015 0.000 0.877 456 L CB -0.518 41.605 42.059 0.107 0.000 1.009 456 L HN 0.059 nan 8.230 nan 0.000 0.447 457 N N -0.896 117.776 118.700 -0.045 0.000 2.758 457 N HA -0.226 4.514 4.740 0.000 0.000 0.248 457 N C -0.672 174.764 175.510 -0.123 0.000 1.076 457 N CA 0.854 53.855 53.050 -0.083 0.000 0.696 457 N CB -1.797 36.621 38.487 -0.115 0.000 0.979 457 N HN 0.286 nan 8.380 nan 0.000 0.550 458 Y N 0.055 120.326 120.300 -0.049 0.000 2.432 458 Y HA 0.388 4.938 4.550 0.000 0.000 0.322 458 Y C 1.750 177.651 175.900 0.002 0.000 1.246 458 Y CA -0.210 57.876 58.100 -0.022 0.000 1.268 458 Y CB 0.758 39.172 38.460 -0.076 0.000 1.276 458 Y HN 0.102 nan 8.280 nan 0.000 0.499 459 T N -1.736 112.954 114.554 0.228 0.000 2.828 459 T HA 0.384 4.734 4.350 0.000 0.000 0.290 459 T C 1.168 175.931 174.700 0.105 0.000 1.019 459 T CA -0.239 61.944 62.100 0.138 0.000 1.031 459 T CB 1.236 70.187 68.868 0.137 0.000 1.001 459 T HN 0.777 nan 8.240 nan 0.000 0.531 460 A N 1.151 124.008 122.820 0.062 0.000 1.933 460 A HA -0.085 4.235 4.320 0.000 0.000 0.218 460 A C 2.264 179.863 177.584 0.025 0.000 1.175 460 A CA 1.415 53.472 52.037 0.033 0.000 0.628 460 A CB -0.699 18.314 19.000 0.021 0.000 0.814 460 A HN 0.951 nan 8.150 nan 0.000 0.444 461 E N 0.172 120.393 120.200 0.034 0.000 2.435 461 E HA -0.091 4.259 4.350 0.000 0.000 0.195 461 E C 1.243 177.847 176.600 0.006 0.000 1.029 461 E CA 0.865 57.271 56.400 0.010 0.000 0.865 461 E CB -0.355 29.346 29.700 0.002 0.000 0.833 461 E HN 0.772 nan 8.360 nan 0.000 0.510 462 E N 1.280 121.528 120.200 0.080 0.000 2.158 462 E HA -0.138 4.212 4.350 0.000 0.000 0.191 462 E C 1.987 178.646 176.600 0.099 0.000 0.982 462 E CA 0.883 57.404 56.400 0.201 0.000 0.823 462 E CB 0.057 29.998 29.700 0.402 0.000 0.766 462 E HN 0.407 nan 8.360 nan 0.000 0.468 463 E N 0.792 120.986 120.200 -0.009 0.000 2.204 463 E HA -0.142 4.208 4.350 0.000 0.000 0.194 463 E C 1.871 178.443 176.600 -0.047 0.000 0.989 463 E CA 0.902 57.255 56.400 -0.078 0.000 0.824 463 E CB 0.021 29.675 29.700 -0.076 0.000 0.756 463 E HN 0.194 nan 8.360 nan 0.000 0.477 464 A N 0.998 123.803 122.820 -0.025 0.000 1.929 464 A HA -0.059 4.261 4.320 0.000 0.000 0.216 464 A C 2.093 179.651 177.584 -0.043 0.000 1.176 464 A CA 0.999 53.012 52.037 -0.039 0.000 0.628 464 A CB -0.481 18.497 19.000 -0.036 0.000 0.816 464 A HN 0.396 nan 8.150 nan 0.000 0.444 465 L N -0.092 121.121 121.223 -0.017 0.000 2.027 465 L HA -0.058 4.282 4.340 0.000 0.000 0.206 465 L C 2.513 179.405 176.870 0.036 0.000 1.074 465 L CA 2.753 57.577 54.840 -0.028 0.000 0.745 465 L CB -0.891 41.098 42.059 -0.116 0.000 0.898 465 L HN 0.318 nan 8.230 nan 0.000 0.433 466 S N -0.583 115.226 115.700 0.181 0.000 2.383 466 S HA -0.230 4.241 4.470 0.000 0.000 0.229 466 S C 2.236 176.807 174.600 -0.049 0.000 1.030 466 S CA 1.366 59.635 58.200 0.116 0.000 1.002 466 S CB -0.361 62.817 63.200 -0.036 0.000 0.829 466 S HN 0.564 nan 8.310 nan 0.000 0.467 467 R N 0.734 121.197 120.500 -0.062 0.000 2.081 467 R HA -0.074 4.266 4.340 0.000 0.000 0.235 467 R C 2.755 179.003 176.300 -0.087 0.000 1.131 467 R CA 1.794 57.850 56.100 -0.074 0.000 0.960 467 R CB -0.311 29.942 30.300 -0.079 0.000 0.856 467 R HN 0.661 nan 8.270 nan 0.000 0.436 468 R N 0.345 120.764 120.500 -0.136 0.000 2.119 468 R HA -0.010 4.330 4.340 0.000 0.000 0.222 468 R C 2.005 178.102 176.300 -0.339 0.000 1.088 468 R CA 1.092 57.021 56.100 -0.285 0.000 0.984 468 R CB -0.506 29.576 30.300 -0.364 0.000 0.884 468 R HN 0.140 nan 8.270 nan 0.000 0.447 469 I N 1.569 122.058 120.570 -0.135 0.000 2.099 469 I HA -0.290 3.881 4.170 0.000 0.000 0.239 469 I C 2.697 178.798 176.117 -0.027 0.000 1.066 469 I CA 1.743 63.008 61.300 -0.057 0.000 1.324 469 I CB -0.288 37.526 38.000 -0.309 0.000 1.037 469 I HN 0.166 nan 8.210 nan 0.000 0.401 470 M N -0.591 118.936 119.600 -0.122 0.000 2.143 470 M HA -0.307 4.173 4.480 0.000 0.000 0.258 470 M C 2.425 178.776 176.300 0.085 0.000 1.071 470 M CA 1.960 57.224 55.300 -0.059 0.000 1.088 470 M CB -0.815 31.740 32.600 -0.076 0.000 1.360 470 M HN 0.323 nan 8.290 nan 0.000 0.404 471 H N -0.687 118.382 119.070 -0.003 0.000 2.428 471 H HA -0.114 4.442 4.556 0.000 0.000 0.296 471 H C 1.544 176.977 175.328 0.175 0.000 1.062 471 H CA 1.668 57.731 56.048 0.026 0.000 1.350 471 H CB 0.109 29.832 29.762 -0.065 0.000 1.403 471 H HN 0.268 nan 8.280 nan 0.000 0.533 472 Y N -0.816 119.622 120.300 0.229 0.000 2.145 472 Y HA -0.239 4.312 4.550 0.000 0.000 0.286 472 Y C 2.463 178.520 175.900 0.261 0.000 1.145 472 Y CA 0.968 59.242 58.100 0.289 0.000 1.148 472 Y CB -1.022 37.794 38.460 0.594 0.000 0.981 472 Y HN 0.375 nan 8.280 nan 0.000 0.507 473 W N -0.491 120.893 121.300 0.140 0.000 2.355 473 W HA -0.204 4.457 4.660 0.000 0.000 0.309 473 W C 2.496 179.000 176.519 -0.024 0.000 1.206 473 W CA 1.357 58.719 57.345 0.029 0.000 1.284 473 W CB -0.409 29.020 29.460 -0.051 0.000 1.145 473 W HN 0.044 nan 8.180 nan 0.000 0.502 474 A N -0.611 122.290 122.820 0.134 0.000 2.016 474 A HA -0.088 4.232 4.320 0.000 0.000 0.217 474 A C 1.783 179.321 177.584 -0.077 0.000 1.162 474 A CA 1.793 53.822 52.037 -0.013 0.000 0.662 474 A CB -0.870 18.105 19.000 -0.042 0.000 0.812 474 A HN 0.170 nan 8.150 nan 0.000 0.450 475 T N -0.976 113.501 114.554 -0.127 0.000 2.896 475 T HA -0.030 4.320 4.350 0.000 0.000 0.263 475 T C 1.558 176.205 174.700 -0.088 0.000 1.050 475 T CA 1.245 63.251 62.100 -0.157 0.000 1.140 475 T CB -0.336 68.400 68.868 -0.220 0.000 0.877 475 T HN 0.511 nan 8.240 nan 0.000 0.457 476 F N 2.525 122.365 119.950 -0.185 0.000 2.102 476 F HA 0.003 4.530 4.527 0.000 0.000 0.298 476 F C 2.428 178.130 175.800 -0.162 0.000 1.105 476 F CA 1.081 58.938 58.000 -0.238 0.000 1.239 476 F CB -0.611 38.174 39.000 -0.359 0.000 0.991 476 F HN 0.135 nan 8.300 nan 0.000 0.474 477 A N 0.211 122.973 122.820 -0.095 0.000 1.908 477 A HA -0.285 4.035 4.320 0.000 0.000 0.218 477 A C 2.281 179.739 177.584 -0.209 0.000 1.181 477 A CA 2.135 54.082 52.037 -0.149 0.000 0.627 477 A CB -0.911 18.051 19.000 -0.063 0.000 0.818 477 A HN 0.504 nan 8.150 nan 0.000 0.445 478 K N -1.210 119.092 120.400 -0.163 0.000 2.155 478 K HA -0.098 4.223 4.320 0.000 0.000 0.203 478 K C 1.685 178.193 176.600 -0.154 0.000 1.052 478 K CA 1.824 58.035 56.287 -0.126 0.000 0.948 478 K CB -0.013 32.436 32.500 -0.085 0.000 0.728 478 K HN 0.662 nan 8.250 nan 0.000 0.448 479 T N -5.844 108.580 114.554 -0.218 0.000 2.969 479 T HA 0.253 4.603 4.350 0.000 0.000 0.258 479 T C 1.060 175.609 174.700 -0.251 0.000 0.962 479 T CA 0.342 62.333 62.100 -0.182 0.000 0.903 479 T CB 1.023 69.823 68.868 -0.113 0.000 1.177 479 T HN 0.232 nan 8.240 nan 0.000 0.511 480 G N 1.582 110.082 108.800 -0.501 0.000 2.141 480 G HA2 -0.175 3.785 3.960 0.000 0.000 0.242 480 G HA3 -0.175 3.785 3.960 0.000 0.000 0.242 480 G C -0.218 174.540 174.900 -0.237 0.000 0.982 480 G CA 0.023 44.775 45.100 -0.580 0.000 0.662 480 G HN 0.846 nan 8.290 nan 0.000 0.527 481 N N -0.372 118.194 118.700 -0.224 0.000 2.542 481 N HA 0.386 5.126 4.740 0.000 0.000 0.288 481 N C -2.043 173.329 175.510 -0.230 0.000 1.115 481 N CA -1.275 51.661 53.050 -0.190 0.000 0.924 481 N CB 2.342 40.809 38.487 -0.034 0.000 1.526 481 N HN -0.072 nan 8.380 nan 0.000 0.515 482 P HA 0.002 nan 4.420 nan 0.000 0.237 482 P C -0.578 176.776 177.300 0.090 0.000 1.178 482 P CA 0.466 63.463 63.100 -0.171 0.000 0.766 482 P CB 0.265 31.671 31.700 -0.491 0.000 0.876 483 N N 1.375 120.084 118.700 0.015 0.000 2.426 483 N HA 0.138 4.878 4.740 0.000 0.000 0.275 483 N C -0.046 175.540 175.510 0.127 0.000 1.019 483 N CA -0.218 52.924 53.050 0.153 0.000 0.941 483 N CB 1.319 39.890 38.487 0.141 0.000 1.123 483 N HN 0.124 nan 8.380 nan 0.000 0.486 484 E N 2.426 122.732 120.200 0.177 0.000 2.316 484 E HA 0.172 4.522 4.350 0.000 0.000 0.275 484 E C -1.730 174.939 176.600 0.114 0.000 1.029 484 E CA -1.182 55.302 56.400 0.141 0.000 0.871 484 E CB 0.693 30.502 29.700 0.181 0.000 1.022 484 E HN 0.387 nan 8.360 nan 0.000 0.418 491 K N 2.889 123.393 120.400 0.172 0.000 2.263 491 K HA 0.221 4.541 4.320 0.000 0.000 0.272 491 K C -0.577 176.185 176.600 0.270 0.000 1.033 491 K CA -0.480 55.939 56.287 0.219 0.000 0.884 491 K CB 0.644 33.254 32.500 0.183 0.000 1.107 491 K HN 0.666 nan 8.250 nan 0.000 0.460 492 W N 7.303 128.649 121.300 0.076 0.000 2.591 492 W HA 0.052 4.712 4.660 0.000 0.000 0.330 492 W C -2.217 174.425 176.519 0.204 0.000 1.435 492 W CA -1.707 55.687 57.345 0.082 0.000 1.350 492 W CB -0.232 29.185 29.460 -0.072 0.000 1.434 492 W HN 0.406 nan 8.180 nan 0.000 0.553 493 P HA 0.073 nan 4.420 nan 0.000 0.279 493 P C -0.456 177.015 177.300 0.286 0.000 1.252 493 P CA -0.676 62.628 63.100 0.340 0.000 0.811 493 P CB 1.269 33.093 31.700 0.206 0.000 1.035 494 L N 2.054 123.296 121.223 0.031 0.000 2.559 494 L HA 0.039 4.380 4.340 0.000 0.000 0.282 494 L C 0.603 177.473 176.870 -0.000 0.000 1.232 494 L CA 0.125 54.825 54.840 -0.233 0.000 0.885 494 L CB -1.411 40.531 42.059 -0.195 0.000 1.131 494 L HN 0.338 nan 8.230 nan 0.000 0.498 495 F N 3.326 123.202 119.950 -0.124 0.000 2.438 495 F HA 0.455 4.982 4.527 0.000 0.000 0.356 495 F C 0.522 176.303 175.800 -0.030 0.000 1.099 495 F CA -0.434 57.570 58.000 0.007 0.000 1.185 495 F CB 0.691 39.730 39.000 0.065 0.000 1.115 495 F HN 0.618 nan 8.300 nan 0.000 0.526 496 T N 0.779 115.053 114.554 -0.465 0.000 2.924 496 T HA 0.316 4.666 4.350 0.000 0.000 0.291 496 T C 0.865 175.285 174.700 -0.466 0.000 1.045 496 T CA -0.110 61.810 62.100 -0.301 0.000 1.015 496 T CB 1.388 70.146 68.868 -0.183 0.000 1.103 496 T HN 0.587 nan 8.240 nan 0.000 0.496 497 T N -0.991 113.443 114.554 -0.200 0.000 2.867 497 T HA 0.035 4.385 4.350 0.000 0.000 0.268 497 T C 2.350 176.953 174.700 -0.161 0.000 1.057 497 T CA 1.315 63.329 62.100 -0.143 0.000 1.136 497 T CB -0.789 68.057 68.868 -0.037 0.000 0.874 497 T HN 0.885 nan 8.240 nan 0.000 0.466 498 K N 1.829 122.139 120.400 -0.150 0.000 1.973 498 K HA 0.011 4.331 4.320 0.000 0.000 0.210 498 K C 2.123 178.637 176.600 -0.143 0.000 1.045 498 K CA 1.709 57.927 56.287 -0.116 0.000 0.937 498 K CB -1.124 31.325 32.500 -0.085 0.000 0.721 498 K HN 0.565 nan 8.250 nan 0.000 0.438 499 E N -0.748 119.341 120.200 -0.184 0.000 2.190 499 E HA 0.033 4.383 4.350 0.000 0.000 0.191 499 E C -0.121 176.358 176.600 -0.202 0.000 0.978 499 E CA 0.235 56.544 56.400 -0.152 0.000 0.839 499 E CB 0.430 30.064 29.700 -0.110 0.000 0.787 499 E HN 0.524 nan 8.360 nan 0.000 0.473 500 Q N 0.126 119.641 119.800 -0.474 0.000 2.478 500 Q HA -0.207 4.134 4.340 0.000 0.000 0.286 500 Q C -0.951 175.032 176.000 -0.028 0.000 1.299 500 Q CA 0.445 55.843 55.803 -0.675 0.000 0.826 500 Q CB -1.520 27.058 28.738 -0.266 0.000 1.199 500 Q HN 0.123 nan 8.270 nan 0.000 0.451 501 K N 0.677 121.089 120.400 0.020 0.000 2.270 501 K HA 0.541 4.862 4.320 0.000 0.000 0.276 501 K C 0.002 176.889 176.600 0.478 0.000 1.023 501 K CA 0.054 56.450 56.287 0.183 0.000 0.955 501 K CB 0.463 33.015 32.500 0.088 0.000 0.975 501 K HN 0.223 nan 8.250 nan 0.000 0.471 502 F N 0.432 120.572 119.950 0.317 0.000 2.675 502 F HA 0.682 5.209 4.527 0.000 0.000 0.324 502 F C -0.886 175.041 175.800 0.213 0.000 1.106 502 F CA -1.592 56.620 58.000 0.354 0.000 0.970 502 F CB 0.772 39.980 39.000 0.347 0.000 1.385 502 F HN 0.382 nan 8.300 nan 0.000 0.489 503 I N -0.916 119.788 120.570 0.223 0.000 2.846 503 I HA 0.592 4.762 4.170 0.000 0.000 0.307 503 I C -1.194 175.098 176.117 0.291 0.000 1.053 503 I CA -0.948 60.333 61.300 -0.033 0.000 1.050 503 I CB 1.912 39.665 38.000 -0.411 0.000 1.239 503 I HN 0.407 nan 8.210 nan 0.000 0.439 504 D N 3.686 124.238 120.400 0.254 0.000 2.341 504 D HA 0.411 5.052 4.640 0.000 0.000 0.245 504 D C -0.799 175.592 176.300 0.153 0.000 1.106 504 D CA 0.159 54.365 54.000 0.344 0.000 0.905 504 D CB 1.807 42.805 40.800 0.330 0.000 1.202 504 D HN 0.240 nan 8.370 nan 0.000 0.426 505 L N 3.270 124.582 121.223 0.149 0.000 2.353 505 L HA 0.301 4.642 4.340 0.000 0.000 0.270 505 L C -0.564 176.202 176.870 -0.174 0.000 1.003 505 L CA -0.491 54.376 54.840 0.044 0.000 0.862 505 L CB 0.043 42.213 42.059 0.184 0.000 1.221 505 L HN 0.466 nan 8.230 nan 0.000 0.430 506 N N -0.578 118.033 118.700 -0.148 0.000 3.364 506 N HA 0.302 5.042 4.740 0.000 0.000 0.294 506 N C 0.542 175.943 175.510 -0.182 0.000 1.562 506 N CA -0.090 52.829 53.050 -0.218 0.000 0.862 506 N CB 0.295 38.729 38.487 -0.090 0.000 1.691 506 N HN 0.081 nan 8.380 nan 0.000 0.572 507 T N -3.981 110.456 114.554 -0.195 0.000 3.023 507 T HA 0.057 4.408 4.350 0.000 0.000 0.266 507 T C 0.361 175.032 174.700 -0.048 0.000 1.093 507 T CA 0.601 62.615 62.100 -0.144 0.000 1.129 507 T CB -0.384 68.402 68.868 -0.136 0.000 0.899 507 T HN 0.410 nan 8.240 nan 0.000 0.491 508 E N 2.457 122.648 120.200 -0.014 0.000 2.392 508 E HA 0.340 4.691 4.350 0.000 0.000 0.259 508 E C -2.333 174.273 176.600 0.009 0.000 1.108 508 E CA -1.597 54.809 56.400 0.010 0.000 0.916 508 E CB 0.061 29.779 29.700 0.031 0.000 0.989 508 E HN 0.492 nan 8.360 nan 0.000 0.432 509 P HA 0.001 nan 4.420 nan 0.000 0.269 509 P C 0.009 177.319 177.300 0.016 0.000 1.217 509 P CA -0.002 63.108 63.100 0.017 0.000 0.783 509 P CB 0.292 32.002 31.700 0.016 0.000 0.898 510 M N 1.361 120.973 119.600 0.022 0.000 2.217 510 M HA 0.074 4.554 4.480 0.000 0.000 0.352 510 M C -0.474 175.799 176.300 -0.045 0.000 1.376 510 M CA 0.327 55.630 55.300 0.005 0.000 1.107 510 M CB 0.085 32.706 32.600 0.035 0.000 1.723 510 M HN 0.013 nan 8.290 nan 0.000 0.461 511 K N 3.682 124.027 120.400 -0.092 0.000 2.182 511 K HA 0.583 4.903 4.320 0.000 0.000 0.262 511 K C -0.978 175.375 176.600 -0.412 0.000 0.957 511 K CA -0.720 55.425 56.287 -0.237 0.000 0.842 511 K CB 2.090 34.442 32.500 -0.246 0.000 1.099 511 K HN 0.662 nan 8.250 nan 0.000 0.438 512 V N 4.282 123.926 119.914 -0.449 0.000 2.427 512 V HA 0.427 4.547 4.120 0.000 0.000 0.286 512 V C 0.045 175.725 176.094 -0.691 0.000 1.034 512 V CA -0.538 61.495 62.300 -0.446 0.000 0.893 512 V CB 0.872 32.574 31.823 -0.202 0.000 0.982 512 V HN 0.828 nan 8.190 nan 0.000 0.452 513 H N 3.254 121.969 119.070 -0.593 0.000 2.869 513 H HA 0.653 5.209 4.556 0.000 0.000 0.342 513 H C -1.054 173.970 175.328 -0.506 0.000 1.250 513 H CA -0.856 54.822 56.048 -0.617 0.000 1.217 513 H CB 2.254 31.507 29.762 -0.848 0.000 1.917 513 H HN 0.544 nan 8.280 nan 0.000 0.586 514 Q N 0.371 120.180 119.800 0.015 0.000 2.397 514 Q HA 0.338 4.679 4.340 0.000 0.000 0.275 514 Q C -0.574 175.639 176.000 0.356 0.000 1.090 514 Q CA -0.954 54.956 55.803 0.179 0.000 0.809 514 Q CB 2.794 31.579 28.738 0.079 0.000 1.362 514 Q HN 0.461 nan 8.270 nan 0.000 0.431 515 R N 0.825 121.545 120.500 0.367 0.000 3.152 515 R HA -0.199 4.141 4.340 0.000 0.000 0.252 515 R C -0.621 175.842 176.300 0.272 0.000 0.930 515 R CA -0.088 56.186 56.100 0.290 0.000 0.642 515 R CB -1.835 28.571 30.300 0.176 0.000 1.205 515 R HN 0.528 nan 8.270 nan 0.000 0.452 516 L N 1.904 123.262 121.223 0.225 0.000 2.700 516 L HA -0.060 4.281 4.340 0.000 0.000 0.276 516 L C 1.122 177.956 176.870 -0.060 0.000 1.200 516 L CA 0.978 55.703 54.840 -0.192 0.000 0.951 516 L CB -0.258 41.396 42.059 -0.674 0.000 1.226 516 L HN 0.450 nan 8.230 nan 0.000 0.489 517 R N 2.139 122.603 120.500 -0.059 0.000 3.387 517 R HA -0.203 4.137 4.340 0.000 0.000 0.254 517 R C 1.244 177.604 176.300 0.100 0.000 1.006 517 R CA 0.574 56.691 56.100 0.028 0.000 0.677 517 R CB -1.444 28.884 30.300 0.047 0.000 1.063 517 R HN 0.746 nan 8.270 nan 0.000 0.453 518 V N -2.523 117.452 119.914 0.102 0.000 2.332 518 V HA -0.342 3.778 4.120 0.000 0.000 0.248 518 V C 2.246 178.414 176.094 0.124 0.000 1.055 518 V CA 2.168 64.541 62.300 0.123 0.000 1.038 518 V CB -0.485 31.402 31.823 0.108 0.000 0.651 518 V HN 0.373 nan 8.190 nan 0.000 0.450 519 Q N -0.229 119.626 119.800 0.092 0.000 2.030 519 Q HA -0.168 4.173 4.340 0.000 0.000 0.204 519 Q C 2.170 178.230 176.000 0.101 0.000 0.986 519 Q CA 2.099 57.941 55.803 0.066 0.000 0.843 519 Q CB -0.346 28.401 28.738 0.014 0.000 0.904 519 Q HN 0.513 nan 8.270 nan 0.000 0.420 520 M N -1.062 118.625 119.600 0.145 0.000 2.200 520 M HA -0.110 4.370 4.480 0.000 0.000 0.265 520 M C 2.331 178.923 176.300 0.487 0.000 1.066 520 M CA 0.844 56.311 55.300 0.278 0.000 1.127 520 M CB -1.168 31.666 32.600 0.390 0.000 1.379 520 M HN 0.334 nan 8.290 nan 0.000 0.420 521 c N -0.348 118.480 118.600 0.380 0.000 2.446 521 c HA -0.036 4.534 4.570 0.000 0.000 0.279 521 c C 2.922 177.196 174.090 0.307 0.000 1.366 521 c CA 0.274 56.830 56.329 0.379 0.000 1.763 521 c CB -0.877 41.792 42.510 0.266 0.000 1.929 521 c HN 0.326 nan 8.230 nan 0.000 0.509 522 V N 0.676 120.734 119.914 0.239 0.000 2.407 522 V HA -0.240 3.881 4.120 0.000 0.000 0.248 522 V C 2.055 178.278 176.094 0.214 0.000 1.055 522 V CA 2.271 64.688 62.300 0.196 0.000 1.049 522 V CB -0.848 31.062 31.823 0.145 0.000 0.662 522 V HN 0.568 nan 8.190 nan 0.000 0.455 523 F N 0.066 120.057 119.950 0.069 0.000 2.075 523 F HA -0.188 4.339 4.527 0.000 0.000 0.297 523 F C 1.979 177.780 175.800 0.003 0.000 1.113 523 F CA 1.721 59.712 58.000 -0.014 0.000 1.218 523 F CB -0.383 38.482 39.000 -0.225 0.000 0.984 523 F HN 0.169 nan 8.300 nan 0.000 0.472 524 W N 0.338 121.729 121.300 0.151 0.000 2.518 524 W HA -0.043 4.618 4.660 0.000 0.000 0.273 524 W C 1.914 178.416 176.519 -0.029 0.000 1.247 524 W CA 0.642 58.005 57.345 0.029 0.000 1.288 524 W CB -0.422 29.176 29.460 0.229 0.000 1.107 524 W HN -0.024 nan 8.180 nan 0.000 0.586 525 N N -0.866 117.960 118.700 0.210 0.000 2.388 525 N HA 0.012 4.753 4.740 0.000 0.000 0.176 525 N C 1.307 176.829 175.510 0.021 0.000 1.062 525 N CA 0.828 53.925 53.050 0.079 0.000 0.895 525 N CB 0.107 38.666 38.487 0.120 0.000 1.018 525 N HN 0.315 nan 8.380 nan 0.000 0.456 526 Q N -1.421 118.410 119.800 0.052 0.000 2.620 526 Q HA 0.251 4.592 4.340 0.000 0.000 0.232 526 Q C 1.065 177.073 176.000 0.014 0.000 0.836 526 Q CA -0.124 55.707 55.803 0.046 0.000 0.938 526 Q CB 0.266 29.064 28.738 0.100 0.000 1.242 526 Q HN 0.142 nan 8.270 nan 0.000 0.624 527 F N 1.132 120.997 119.950 -0.141 0.000 2.187 527 F HA -0.041 4.486 4.527 0.000 0.000 0.295 527 F C 1.782 177.395 175.800 -0.311 0.000 1.091 527 F CA 0.709 58.597 58.000 -0.187 0.000 1.308 527 F CB 0.111 39.035 39.000 -0.127 0.000 1.030 527 F HN 0.047 nan 8.300 nan 0.000 0.487 528 L N 1.221 122.090 121.223 -0.590 0.000 2.056 528 L HA 0.030 4.370 4.340 0.000 0.000 0.207 528 L C -0.901 175.736 176.870 -0.390 0.000 1.078 528 L CA 1.799 56.239 54.840 -0.667 0.000 0.749 528 L CB -1.758 39.816 42.059 -0.808 0.000 0.901 528 L HN -0.047 nan 8.230 nan 0.000 0.433 529 P HA -0.207 nan 4.420 nan 0.000 0.215 529 P C 1.479 178.671 177.300 -0.180 0.000 1.153 529 P CA 1.566 64.581 63.100 -0.142 0.000 0.853 529 P CB -0.043 31.597 31.700 -0.099 0.000 0.788 530 K N -0.554 119.703 120.400 -0.237 0.000 2.026 530 K HA -0.156 4.164 4.320 0.000 0.000 0.208 530 K C 1.918 178.341 176.600 -0.296 0.000 1.048 530 K CA 1.326 57.472 56.287 -0.234 0.000 0.929 530 K CB -0.760 31.606 32.500 -0.223 0.000 0.713 530 K HN 0.015 nan 8.250 nan 0.000 0.439 531 L N 1.277 122.209 121.223 -0.485 0.000 2.056 531 L HA -0.117 4.223 4.340 0.000 0.000 0.207 531 L C 1.755 178.480 176.870 -0.241 0.000 1.078 531 L CA 1.578 56.166 54.840 -0.421 0.000 0.749 531 L CB -0.906 40.779 42.059 -0.624 0.000 0.901 531 L HN 0.168 nan 8.230 nan 0.000 0.433 532 L N 0.136 121.229 121.223 -0.217 0.000 2.083 532 L HA -0.202 4.139 4.340 0.000 0.000 0.209 532 L C 2.441 179.260 176.870 -0.086 0.000 1.083 532 L CA 1.720 56.486 54.840 -0.125 0.000 0.752 532 L CB -0.714 41.296 42.059 -0.082 0.000 0.899 532 L HN 0.479 nan 8.230 nan 0.000 0.433 533 N N 0.026 118.670 118.700 -0.094 0.000 2.223 533 N HA -0.156 4.584 4.740 0.000 0.000 0.185 533 N C 1.708 177.180 175.510 -0.063 0.000 1.016 533 N CA 1.208 54.218 53.050 -0.066 0.000 0.863 533 N CB 0.052 38.501 38.487 -0.064 0.000 0.983 533 N HN 0.289 nan 8.380 nan 0.000 0.429 534 A N -0.836 121.933 122.820 -0.085 0.000 2.021 534 A HA 0.101 4.422 4.320 0.000 0.000 0.216 534 A C 1.140 178.692 177.584 -0.054 0.000 1.163 534 A CA 1.203 53.199 52.037 -0.068 0.000 0.676 534 A CB -0.480 18.472 19.000 -0.081 0.000 0.818 534 A HN 0.501 nan 8.150 nan 0.000 0.453 535 T N 0.000 114.518 114.554 -0.060 0.000 3.816 535 T HA 0.000 4.350 4.350 0.000 0.000 0.228 535 T CA 0.000 62.073 62.100 -0.045 0.000 1.349 535 T CB 0.000 68.838 68.868 -0.051 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658