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 3cgb_1_B DATA FIRST_RESID 2 DATA SEQUENCE NYVIIGGDAA GXSAAXQIVR NDENANVVTL EKGEIYSYAQ CGLPYVISGA DATA SEQUENCE IASTEKLIAR NVKTFRDKYG IDAKVRHEVT KVDTEKKIVY AEHTKTKDVF DATA SEQUENCE EFSYDRLLIA TGVRPVXPEW EGRDLQGVHL LKTIPDAERI LKTLETNKVE DATA SEQUENCE DVTIIGGGAI GLEXAETFVE LGKKVRXIER NDHIGTIYDG DXAEYIYKEA DATA SEQUENCE DKHHIEILTN ENVKAFKGNE RVEAVETDKG TYKADLVLVS VGVKPNTDFL DATA SEQUENCE EGTNIRTNHK GAIEVNAYXQ TNVQDVYAAG DCATHYHVIK EIHDHIPIGT DATA SEQUENCE TANKQGRLAG LNXLDKRRAF KGTLGTGIIK FXNLTLARTG LNEKEAKGLH DATA SEQUENCE IPYKTVKVDS TNXAGYYPNA KPLYLKLLYR SDTKQLLGGQ VIGEEGVDKR DATA SEQUENCE IDVIAXALFN KXSIHDLEDV DLSYAPPYNS VWDPIQQAAR RAE 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.377 175.510 -0.221 0.000 1.280 2 N CA 0.000 52.959 53.050 -0.152 0.000 0.885 2 N CB 0.000 38.467 38.487 -0.033 0.000 1.341 3 Y N 0.245 120.575 120.300 0.050 0.000 2.341 3 Y HA 0.620 5.170 4.550 -0.001 0.000 0.337 3 Y C 0.517 176.424 175.900 0.011 0.000 1.014 3 Y CA -0.866 57.249 58.100 0.025 0.000 1.111 3 Y CB 1.582 40.026 38.460 -0.026 0.000 1.194 3 Y HN 0.095 nan 8.280 nan 0.000 0.462 4 V N 5.368 125.366 119.914 0.140 0.000 2.555 4 V HA 0.487 4.606 4.120 -0.001 0.000 0.302 4 V C -0.360 175.716 176.094 -0.030 0.000 1.038 4 V CA -0.913 61.407 62.300 0.033 0.000 0.887 4 V CB 1.877 33.732 31.823 0.054 0.000 0.991 4 V HN 0.615 nan 8.190 nan 0.000 0.434 5 I N 5.286 125.817 120.570 -0.065 0.000 2.466 5 I HA 0.502 4.671 4.170 -0.001 0.000 0.289 5 I C -0.790 175.270 176.117 -0.095 0.000 1.026 5 I CA -0.391 60.864 61.300 -0.076 0.000 1.078 5 I CB 2.076 40.022 38.000 -0.089 0.000 1.249 5 I HN 0.439 nan 8.210 nan 0.000 0.429 6 I N 5.587 126.117 120.570 -0.067 0.000 2.321 6 I HA 0.688 4.858 4.170 -0.001 0.000 0.291 6 I C 0.414 176.481 176.117 -0.083 0.000 0.998 6 I CA -0.350 60.903 61.300 -0.078 0.000 1.227 6 I CB 1.396 39.382 38.000 -0.024 0.000 1.368 6 I HN 0.791 nan 8.210 nan 0.000 0.466 7 G N 3.558 112.273 108.800 -0.141 0.000 3.226 7 G HA2 0.067 4.027 3.960 -0.001 0.000 0.685 7 G HA3 0.067 4.027 3.960 -0.001 0.000 0.685 7 G C -0.090 174.664 174.900 -0.243 0.000 1.207 7 G CA -0.509 44.494 45.100 -0.161 0.000 0.877 7 G HN 1.004 nan 8.290 nan 0.000 0.585 8 G N 0.573 109.141 108.800 -0.387 0.000 4.098 8 G HA2 0.525 4.484 3.960 -0.001 0.000 0.300 8 G HA3 0.525 4.484 3.960 -0.001 0.000 0.300 8 G C 0.062 174.734 174.900 -0.380 0.000 1.187 8 G CA 0.931 45.632 45.100 -0.665 0.000 0.964 8 G HN 0.754 nan 8.290 nan 0.000 0.559 9 D N -0.690 119.593 120.400 -0.195 0.000 3.237 9 D HA 0.575 5.214 4.640 -0.001 0.000 0.227 9 D C 2.116 178.362 176.300 -0.090 0.000 1.378 9 D CA 0.316 54.245 54.000 -0.118 0.000 1.066 9 D CB 0.456 41.162 40.800 -0.157 0.000 1.237 9 D HN -0.044 nan 8.370 nan 0.000 0.629 10 A N 0.198 122.955 122.820 -0.106 0.000 1.865 10 A HA -0.025 4.295 4.320 -0.001 0.000 0.217 10 A C 2.075 179.623 177.584 -0.058 0.000 1.191 10 A CA 3.251 55.243 52.037 -0.074 0.000 0.623 10 A CB -1.321 17.625 19.000 -0.089 0.000 0.826 10 A HN 0.436 nan 8.150 nan 0.000 0.444 11 A N -0.533 122.250 122.820 -0.062 0.000 1.897 11 A HA 0.374 4.693 4.320 -0.001 0.000 0.215 11 A C 1.755 179.300 177.584 -0.065 0.000 1.181 11 A CA 1.279 53.284 52.037 -0.053 0.000 0.620 11 A CB -1.335 17.642 19.000 -0.037 0.000 0.821 11 A HN 0.858 nan 8.150 nan 0.000 0.443 15 A N 2.237 125.001 122.820 -0.093 0.000 1.872 15 A HA 0.616 4.936 4.320 -0.001 0.000 0.214 15 A C 1.424 178.912 177.584 -0.160 0.000 1.187 15 A CA 1.367 53.330 52.037 -0.124 0.000 0.614 15 A CB -1.049 17.876 19.000 -0.125 0.000 0.826 15 A HN 0.815 nan 8.150 nan 0.000 0.442 19 I N 0.914 121.348 120.570 -0.227 0.000 2.179 19 I HA -0.188 3.981 4.170 -0.001 0.000 0.242 19 I C 2.359 178.359 176.117 -0.196 0.000 1.088 19 I CA 1.262 62.367 61.300 -0.324 0.000 1.357 19 I CB -0.163 37.483 38.000 -0.591 0.000 1.051 19 I HN -0.021 nan 8.210 nan 0.000 0.409 20 V N 0.714 120.544 119.914 -0.140 0.000 2.407 20 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 20 V C 2.565 178.646 176.094 -0.022 0.000 1.055 20 V CA 1.856 64.126 62.300 -0.052 0.000 1.049 20 V CB -0.606 31.202 31.823 -0.025 0.000 0.662 20 V HN 0.350 nan 8.190 nan 0.000 0.455 21 R N -0.256 120.213 120.500 -0.051 0.000 2.148 21 R HA -0.036 4.303 4.340 -0.001 0.000 0.223 21 R C 1.336 177.624 176.300 -0.018 0.000 1.088 21 R CA 1.475 57.561 56.100 -0.023 0.000 0.985 21 R CB -0.123 30.153 30.300 -0.040 0.000 0.880 21 R HN 0.588 nan 8.270 nan 0.000 0.451 22 N N -0.548 118.130 118.700 -0.038 0.000 2.171 22 N HA -0.004 4.736 4.740 -0.001 0.000 0.212 22 N C -1.037 174.465 175.510 -0.013 0.000 1.184 22 N CA -0.036 52.998 53.050 -0.027 0.000 0.888 22 N CB 0.940 39.404 38.487 -0.039 0.000 1.038 22 N HN -0.057 nan 8.380 nan 0.000 0.517 23 D N 0.321 120.714 120.400 -0.011 0.000 2.386 23 D HA 0.101 4.741 4.640 -0.001 0.000 0.247 23 D C 0.172 176.497 176.300 0.042 0.000 1.336 23 D CA -0.228 53.789 54.000 0.028 0.000 0.976 23 D CB 0.951 41.786 40.800 0.057 0.000 1.257 23 D HN -0.114 nan 8.370 nan 0.000 0.570 24 E N 2.207 122.433 120.200 0.043 0.000 2.285 24 E HA -0.029 4.321 4.350 -0.001 0.000 0.194 24 E C 0.766 177.399 176.600 0.055 0.000 0.997 24 E CA 0.502 56.929 56.400 0.044 0.000 0.845 24 E CB -0.127 29.594 29.700 0.034 0.000 0.782 24 E HN 0.594 nan 8.360 nan 0.000 0.491 25 N N 0.903 119.642 118.700 0.064 0.000 2.467 25 N HA 0.082 4.822 4.740 -0.001 0.000 0.184 25 N C 0.356 175.925 175.510 0.098 0.000 1.106 25 N CA 0.067 53.158 53.050 0.068 0.000 0.892 25 N CB 0.228 38.750 38.487 0.059 0.000 0.969 25 N HN 0.002 nan 8.380 nan 0.000 0.454 26 A N 1.539 124.445 122.820 0.143 0.000 2.488 26 A HA 0.104 4.424 4.320 -0.001 0.000 0.249 26 A C -0.016 177.679 177.584 0.185 0.000 1.083 26 A CA -0.066 52.122 52.037 0.252 0.000 0.768 26 A CB 0.044 19.207 19.000 0.271 0.000 1.017 26 A HN 0.236 nan 8.150 nan 0.000 0.496 27 N N 2.380 121.193 118.700 0.189 0.000 2.527 27 N HA 0.397 5.137 4.740 -0.001 0.000 0.236 27 N C -1.234 174.381 175.510 0.176 0.000 0.999 27 N CA -0.229 52.901 53.050 0.134 0.000 0.935 27 N CB 0.906 39.441 38.487 0.081 0.000 1.132 27 N HN 0.249 nan 8.380 nan 0.000 0.511 28 V N 3.789 123.783 119.914 0.133 0.000 2.350 28 V HA 0.389 4.509 4.120 -0.001 0.000 0.276 28 V C -0.088 176.022 176.094 0.027 0.000 1.028 28 V CA -0.793 61.567 62.300 0.099 0.000 0.860 28 V CB 1.255 33.095 31.823 0.028 0.000 0.990 28 V HN 0.353 nan 8.190 nan 0.000 0.453 29 V N 4.648 124.565 119.914 0.004 0.000 2.417 29 V HA 0.579 4.698 4.120 -0.001 0.000 0.291 29 V C 0.341 176.352 176.094 -0.138 0.000 1.024 29 V CA -0.376 61.870 62.300 -0.090 0.000 0.861 29 V CB 2.134 33.884 31.823 -0.121 0.000 0.985 29 V HN 1.009 nan 8.190 nan 0.000 0.436 30 T N 3.590 118.051 114.554 -0.156 0.000 2.823 30 T HA 0.801 5.151 4.350 -0.001 0.000 0.279 30 T C -0.830 173.770 174.700 -0.167 0.000 0.998 30 T CA -0.680 61.344 62.100 -0.126 0.000 0.994 30 T CB 1.340 70.185 68.868 -0.038 0.000 0.960 30 T HN 0.346 nan 8.240 nan 0.000 0.448 31 L N 2.248 123.357 121.223 -0.190 0.000 2.316 31 L HA 0.654 4.993 4.340 -0.001 0.000 0.280 31 L C -0.321 176.448 176.870 -0.168 0.000 1.006 31 L CA -0.836 53.880 54.840 -0.207 0.000 0.836 31 L CB 1.498 43.417 42.059 -0.235 0.000 1.221 31 L HN 0.707 nan 8.230 nan 0.000 0.418 32 E N 2.695 122.806 120.200 -0.149 0.000 2.187 32 E HA 0.232 4.582 4.350 -0.001 0.000 0.268 32 E C 0.273 176.814 176.600 -0.097 0.000 0.896 32 E CA -0.601 55.665 56.400 -0.223 0.000 0.766 32 E CB 1.979 31.363 29.700 -0.527 0.000 1.142 32 E HN 0.406 nan 8.360 nan 0.000 0.408 33 K N 2.552 122.891 120.400 -0.102 0.000 2.057 33 K HA 0.052 4.372 4.320 -0.001 0.000 0.206 33 K C 0.896 177.463 176.600 -0.055 0.000 1.050 33 K CA 1.323 57.569 56.287 -0.069 0.000 0.935 33 K CB -0.187 32.266 32.500 -0.078 0.000 0.715 33 K HN 0.604 nan 8.250 nan 0.000 0.439 34 G N -0.137 108.628 108.800 -0.059 0.000 2.531 34 G HA2 0.065 4.025 3.960 -0.001 0.000 0.253 34 G HA3 0.065 4.025 3.960 -0.001 0.000 0.253 34 G C -0.141 174.752 174.900 -0.012 0.000 1.439 34 G CA -0.318 44.758 45.100 -0.041 0.000 1.056 34 G HN 0.276 nan 8.290 nan 0.000 0.555 35 E N -1.322 118.878 120.200 -0.000 0.000 2.526 35 E HA 0.237 4.587 4.350 -0.001 0.000 0.208 35 E C -0.222 176.431 176.600 0.089 0.000 0.997 35 E CA 0.011 56.443 56.400 0.052 0.000 0.961 35 E CB 0.615 30.335 29.700 0.034 0.000 1.030 35 E HN 0.251 nan 8.360 nan 0.000 0.483 36 I N 1.429 122.022 120.570 0.038 0.000 2.410 36 I HA 0.255 4.425 4.170 -0.001 0.000 0.286 36 I C -0.761 175.455 176.117 0.165 0.000 1.009 36 I CA -0.942 60.399 61.300 0.069 0.000 1.111 36 I CB 0.780 38.691 38.000 -0.148 0.000 1.262 36 I HN -0.116 nan 8.210 nan 0.000 0.443 37 Y N 3.248 123.639 120.300 0.151 0.000 2.300 37 Y HA 0.165 4.715 4.550 -0.001 0.000 0.328 37 Y C 1.305 177.408 175.900 0.338 0.000 1.270 37 Y CA -0.180 58.051 58.100 0.219 0.000 1.352 37 Y CB 1.105 39.709 38.460 0.241 0.000 1.286 37 Y HN 0.596 nan 8.280 nan 0.000 0.536 38 S N 1.619 117.564 115.700 0.409 0.000 3.254 38 S HA -0.238 4.232 4.470 -0.001 0.000 0.327 38 S C -1.044 173.731 174.600 0.292 0.000 0.892 38 S CA 0.852 59.238 58.200 0.310 0.000 1.357 38 S CB -2.107 61.359 63.200 0.442 0.000 1.022 38 S HN 0.645 nan 8.310 nan 0.000 0.524 39 Y N -2.193 118.159 120.300 0.086 0.000 2.570 39 Y HA 0.817 5.367 4.550 -0.001 0.000 0.345 39 Y C -0.328 175.598 175.900 0.043 0.000 1.014 39 Y CA -1.399 56.739 58.100 0.063 0.000 1.063 39 Y CB 1.221 39.714 38.460 0.054 0.000 1.272 39 Y HN 0.245 nan 8.280 nan 0.000 0.477 40 A N 2.611 125.445 122.820 0.025 0.000 2.650 40 A HA 0.228 4.548 4.320 -0.001 0.000 0.320 40 A C 0.619 178.203 177.584 0.000 0.000 1.466 40 A CA -0.606 51.401 52.037 -0.049 0.000 1.099 40 A CB -0.088 18.925 19.000 0.023 0.000 1.136 40 A HN 1.007 nan 8.150 nan 0.000 0.532 41 Q N 0.940 120.651 119.800 -0.150 0.000 2.217 41 Q HA -0.239 4.101 4.340 -0.001 0.000 0.209 41 Q C 1.711 177.736 176.000 0.042 0.000 0.988 41 Q CA 2.119 57.925 55.803 0.004 0.000 0.878 41 Q CB -0.419 28.279 28.738 -0.066 0.000 0.909 41 Q HN 0.956 nan 8.270 nan 0.000 0.424 42 C N -0.526 118.788 119.300 0.023 0.000 2.419 42 C HA -0.075 4.385 4.460 -0.001 0.000 0.281 42 C C 2.464 177.544 174.990 0.150 0.000 1.336 42 C CA 0.741 59.798 59.018 0.066 0.000 1.770 42 C CB -1.390 26.381 27.740 0.051 0.000 1.929 42 C HN 0.692 nan 8.230 nan 0.000 0.509 43 G N 0.115 109.002 108.800 0.146 0.000 2.712 43 G HA2 0.044 4.004 3.960 -0.001 0.000 0.212 43 G HA3 0.044 4.004 3.960 -0.001 0.000 0.212 43 G C 1.322 176.317 174.900 0.159 0.000 1.142 43 G CA 0.163 45.391 45.100 0.213 0.000 0.789 43 G HN 0.309 nan 8.290 nan 0.000 0.535 44 L N 1.544 122.815 121.223 0.080 0.000 1.997 44 L HA -0.063 4.277 4.340 -0.001 0.000 0.216 44 L C 0.147 176.954 176.870 -0.104 0.000 1.074 44 L CA 1.877 56.724 54.840 0.012 0.000 0.763 44 L CB -1.663 40.408 42.059 0.021 0.000 0.890 44 L HN 0.124 nan 8.230 nan 0.000 0.434 45 P HA -0.153 nan 4.420 nan 0.000 0.225 45 P C 1.142 178.118 177.300 -0.539 0.000 1.148 45 P CA 1.363 64.181 63.100 -0.470 0.000 0.779 45 P CB -0.081 31.211 31.700 -0.679 0.000 0.780 46 Y N -2.271 117.996 120.300 -0.056 0.000 2.503 46 Y HA 0.001 4.551 4.550 -0.001 0.000 0.278 46 Y C 2.227 178.103 175.900 -0.040 0.000 1.111 46 Y CA 0.051 58.122 58.100 -0.048 0.000 1.270 46 Y CB -0.650 37.791 38.460 -0.031 0.000 1.063 46 Y HN -0.273 nan 8.280 nan 0.000 0.548 47 V N 0.337 120.290 119.914 0.066 0.000 2.379 47 V HA -0.272 3.848 4.120 -0.001 0.000 0.245 47 V C 2.054 178.135 176.094 -0.022 0.000 1.044 47 V CA 1.774 64.090 62.300 0.028 0.000 1.036 47 V CB -0.470 31.368 31.823 0.025 0.000 0.664 47 V HN 0.375 nan 8.190 nan 0.000 0.453 48 I N 1.151 121.673 120.570 -0.080 0.000 2.286 48 I HA -0.216 3.954 4.170 -0.001 0.000 0.248 48 I C 2.524 178.573 176.117 -0.113 0.000 1.115 48 I CA 1.846 63.075 61.300 -0.118 0.000 1.392 48 I CB -0.481 37.398 38.000 -0.201 0.000 1.065 48 I HN 0.461 nan 8.210 nan 0.000 0.418 49 S N 0.286 115.915 115.700 -0.118 0.000 2.522 49 S HA 0.095 4.564 4.470 -0.001 0.000 0.227 49 S C 1.793 176.386 174.600 -0.013 0.000 0.986 49 S CA 0.602 58.758 58.200 -0.074 0.000 0.929 49 S CB 0.068 63.234 63.200 -0.057 0.000 0.769 49 S HN 0.645 nan 8.310 nan 0.000 0.529 50 G N 0.619 109.419 108.800 0.001 0.000 2.195 50 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.246 50 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.246 50 G C 1.084 176.003 174.900 0.031 0.000 0.984 50 G CA 0.276 45.385 45.100 0.015 0.000 0.633 50 G HN 1.268 nan 8.290 nan 0.000 0.525 51 A N -0.451 122.402 122.820 0.054 0.000 1.978 51 A HA 0.412 4.732 4.320 -0.001 0.000 0.220 51 A C 1.219 178.830 177.584 0.045 0.000 1.170 51 A CA 1.507 53.579 52.037 0.058 0.000 0.636 51 A CB -0.112 18.950 19.000 0.102 0.000 0.810 51 A HN 0.860 nan 8.150 nan 0.000 0.448 52 I N -1.991 118.616 120.570 0.060 0.000 2.441 52 I HA 0.397 4.567 4.170 -0.001 0.000 0.295 52 I C 1.395 177.531 176.117 0.033 0.000 0.994 52 I CA -0.355 60.972 61.300 0.045 0.000 1.144 52 I CB 1.951 39.990 38.000 0.065 0.000 1.314 52 I HN 0.132 nan 8.210 nan 0.000 0.445 53 A N 4.303 127.137 122.820 0.023 0.000 1.908 53 A HA -0.056 4.264 4.320 -0.001 0.000 0.218 53 A C 0.916 178.511 177.584 0.017 0.000 1.181 53 A CA 1.909 53.956 52.037 0.017 0.000 0.627 53 A CB -0.295 18.712 19.000 0.013 0.000 0.818 53 A HN 0.835 nan 8.150 nan 0.000 0.445 54 S N -4.615 111.097 115.700 0.020 0.000 2.611 54 S HA 0.359 4.828 4.470 -0.001 0.000 0.268 54 S C 0.495 175.110 174.600 0.025 0.000 1.156 54 S CA 0.309 58.519 58.200 0.018 0.000 0.817 54 S CB 0.567 63.775 63.200 0.013 0.000 1.122 54 S HN 0.749 nan 8.310 nan 0.000 0.466 55 T N -1.767 112.798 114.554 0.019 0.000 2.915 55 T HA -0.079 4.271 4.350 -0.001 0.000 0.269 55 T C 1.337 176.057 174.700 0.032 0.000 1.071 55 T CA 1.561 63.676 62.100 0.025 0.000 1.132 55 T CB -0.695 68.174 68.868 0.001 0.000 0.878 55 T HN 0.807 nan 8.240 nan 0.000 0.479 56 E N 1.097 121.311 120.200 0.023 0.000 2.265 56 E HA -0.155 4.195 4.350 -0.001 0.000 0.196 56 E C 1.905 178.527 176.600 0.037 0.000 0.996 56 E CA 0.740 57.156 56.400 0.026 0.000 0.832 56 E CB -0.049 29.661 29.700 0.017 0.000 0.756 56 E HN 0.288 nan 8.360 nan 0.000 0.491 57 K N 0.145 120.567 120.400 0.037 0.000 2.365 57 K HA -0.046 4.274 4.320 -0.001 0.000 0.199 57 K C 1.801 178.433 176.600 0.054 0.000 1.045 57 K CA 0.557 56.867 56.287 0.038 0.000 0.962 57 K CB 0.064 32.583 32.500 0.031 0.000 0.759 57 K HN 0.348 nan 8.250 nan 0.000 0.469 58 L N 0.649 121.920 121.223 0.079 0.000 2.558 58 L HA 0.134 4.473 4.340 -0.001 0.000 0.225 58 L C 0.761 177.717 176.870 0.144 0.000 1.128 58 L CA -0.085 54.822 54.840 0.113 0.000 0.868 58 L CB -0.133 42.020 42.059 0.156 0.000 1.006 58 L HN -0.035 nan 8.230 nan 0.000 0.454 59 I N 0.466 121.111 120.570 0.126 0.000 2.452 59 I HA 0.018 4.188 4.170 -0.001 0.000 0.287 59 I C 1.303 177.479 176.117 0.099 0.000 1.079 59 I CA -0.022 61.365 61.300 0.145 0.000 1.387 59 I CB 1.487 39.555 38.000 0.114 0.000 1.404 59 I HN 0.024 nan 8.210 nan 0.000 0.522 60 A N 6.773 129.659 122.820 0.110 0.000 1.984 60 A HA 0.183 4.503 4.320 -0.001 0.000 0.214 60 A C 1.102 178.698 177.584 0.019 0.000 1.173 60 A CA 0.609 52.682 52.037 0.060 0.000 0.673 60 A CB 0.191 19.228 19.000 0.063 0.000 0.830 60 A HN 0.719 nan 8.150 nan 0.000 0.453 61 R N 0.256 120.773 120.500 0.028 0.000 2.522 61 R HA 0.230 4.570 4.340 -0.001 0.000 0.273 61 R C -1.430 174.818 176.300 -0.087 0.000 1.133 61 R CA -0.339 55.666 56.100 -0.159 0.000 0.969 61 R CB 0.926 30.958 30.300 -0.447 0.000 1.235 61 R HN 0.673 nan 8.270 nan 0.000 0.433 62 N N 2.087 120.718 118.700 -0.116 0.000 2.458 62 N HA 0.087 4.826 4.740 -0.001 0.000 0.271 62 N C 0.595 176.109 175.510 0.007 0.000 1.210 62 N CA -0.853 52.206 53.050 0.015 0.000 0.978 62 N CB 1.808 40.304 38.487 0.016 0.000 1.206 62 N HN 0.233 nan 8.380 nan 0.000 0.536 63 V N 0.897 120.861 119.914 0.084 0.000 2.490 63 V HA -0.231 3.889 4.120 -0.001 0.000 0.250 63 V C 2.564 178.643 176.094 -0.023 0.000 1.061 63 V CA 1.788 64.074 62.300 -0.024 0.000 1.064 63 V CB -0.846 30.873 31.823 -0.173 0.000 0.670 63 V HN 0.832 nan 8.190 nan 0.000 0.461 64 K N -0.812 119.570 120.400 -0.031 0.000 2.057 64 K HA -0.177 4.142 4.320 -0.001 0.000 0.207 64 K C 2.055 178.615 176.600 -0.067 0.000 1.049 64 K CA 2.099 58.361 56.287 -0.043 0.000 0.931 64 K CB -0.317 32.159 32.500 -0.040 0.000 0.714 64 K HN 0.594 nan 8.250 nan 0.000 0.440 65 T N 0.713 115.197 114.554 -0.116 0.000 2.777 65 T HA -0.105 4.245 4.350 -0.001 0.000 0.266 65 T C 1.542 176.185 174.700 -0.095 0.000 1.040 65 T CA 1.318 63.312 62.100 -0.176 0.000 1.141 65 T CB -0.342 68.377 68.868 -0.248 0.000 0.868 65 T HN 0.109 nan 8.240 nan 0.000 0.444 66 F N 1.721 121.695 119.950 0.042 0.000 2.126 66 F HA -0.059 4.468 4.527 -0.001 0.000 0.299 66 F C 2.580 178.390 175.800 0.016 0.000 1.096 66 F CA 1.010 59.054 58.000 0.075 0.000 1.255 66 F CB -0.459 38.477 39.000 -0.106 0.000 0.997 66 F HN 0.027 nan 8.300 nan 0.000 0.479 67 R N -0.076 120.494 120.500 0.116 0.000 2.055 67 R HA -0.103 4.237 4.340 -0.001 0.000 0.228 67 R C 1.864 178.164 176.300 0.001 0.000 1.143 67 R CA 1.592 57.712 56.100 0.033 0.000 0.945 67 R CB -0.591 29.700 30.300 -0.014 0.000 0.841 67 R HN 0.195 nan 8.270 nan 0.000 0.429 68 D N 0.280 120.655 120.400 -0.041 0.000 2.123 68 D HA -0.110 4.529 4.640 -0.001 0.000 0.200 68 D C 1.702 177.923 176.300 -0.132 0.000 0.976 68 D CA 1.180 55.136 54.000 -0.075 0.000 0.831 68 D CB 0.020 40.771 40.800 -0.082 0.000 0.974 68 D HN 0.125 nan 8.370 nan 0.000 0.469 69 K N -0.753 119.506 120.400 -0.235 0.000 2.166 69 K HA -0.016 4.304 4.320 -0.001 0.000 0.201 69 K C 1.118 177.419 176.600 -0.499 0.000 1.052 69 K CA 0.568 56.576 56.287 -0.465 0.000 0.969 69 K CB 0.195 32.234 32.500 -0.767 0.000 0.761 69 K HN 0.159 nan 8.250 nan 0.000 0.459 70 Y N -0.959 119.343 120.300 0.002 0.000 2.481 70 Y HA 0.247 4.797 4.550 -0.001 0.000 0.247 70 Y C 1.060 176.977 175.900 0.027 0.000 1.151 70 Y CA -0.009 58.106 58.100 0.026 0.000 1.238 70 Y CB 1.484 39.986 38.460 0.072 0.000 1.179 70 Y HN 0.261 nan 8.280 nan 0.000 0.524 71 G N 1.586 110.452 108.800 0.110 0.000 2.168 71 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.257 71 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.257 71 G C 0.054 175.000 174.900 0.075 0.000 0.997 71 G CA 0.176 45.318 45.100 0.071 0.000 0.708 71 G HN 0.343 nan 8.290 nan 0.000 0.520 72 I N 0.618 121.249 120.570 0.102 0.000 2.529 72 I HA 0.189 4.359 4.170 -0.001 0.000 0.284 72 I C 0.471 176.589 176.117 0.002 0.000 1.082 72 I CA -0.346 60.984 61.300 0.050 0.000 1.406 72 I CB 0.934 38.961 38.000 0.045 0.000 1.405 72 I HN 0.017 nan 8.210 nan 0.000 0.548 73 D N 6.470 126.856 120.400 -0.023 0.000 2.558 73 D HA 0.278 4.917 4.640 -0.001 0.000 0.221 73 D C -0.214 176.015 176.300 -0.118 0.000 1.143 73 D CA -0.204 53.764 54.000 -0.054 0.000 1.010 73 D CB 0.247 41.029 40.800 -0.029 0.000 1.068 73 D HN 0.525 nan 8.370 nan 0.000 0.511 74 A N 4.201 126.931 122.820 -0.150 0.000 2.302 74 A HA 0.397 4.716 4.320 -0.001 0.000 0.295 74 A C 0.176 177.652 177.584 -0.181 0.000 1.235 74 A CA -0.551 51.354 52.037 -0.220 0.000 0.876 74 A CB 0.408 19.091 19.000 -0.529 0.000 1.133 74 A HN 0.227 nan 8.150 nan 0.000 0.533 75 K N 1.769 122.081 120.400 -0.147 0.000 2.138 75 K HA 0.540 4.860 4.320 -0.001 0.000 0.263 75 K C 0.041 176.643 176.600 0.004 0.000 0.965 75 K CA -0.432 55.695 56.287 -0.266 0.000 0.868 75 K CB 1.656 33.654 32.500 -0.838 0.000 1.083 75 K HN 0.618 nan 8.250 nan 0.000 0.443 76 V N -1.305 118.653 119.914 0.073 0.000 2.994 76 V HA 0.528 4.648 4.120 -0.001 0.000 0.318 76 V C 0.419 176.617 176.094 0.174 0.000 1.085 76 V CA -1.105 61.292 62.300 0.161 0.000 0.998 76 V CB 1.299 33.223 31.823 0.169 0.000 1.063 76 V HN 0.813 nan 8.190 nan 0.000 0.447 77 R N -0.508 120.027 120.500 0.058 0.000 3.741 77 R HA -0.183 4.157 4.340 -0.001 0.000 0.292 77 R C -0.839 175.397 176.300 -0.106 0.000 1.176 77 R CA 1.050 57.086 56.100 -0.106 0.000 0.794 77 R CB -2.222 27.888 30.300 -0.317 0.000 1.213 77 R HN 0.973 nan 8.270 nan 0.000 0.494 78 H N 0.414 119.417 119.070 -0.111 0.000 2.638 78 H HA 0.256 4.811 4.556 -0.001 0.000 0.303 78 H C -0.288 175.007 175.328 -0.055 0.000 1.034 78 H CA -0.658 55.373 56.048 -0.029 0.000 1.225 78 H CB 1.140 30.904 29.762 0.004 0.000 1.394 78 H HN 0.172 nan 8.280 nan 0.000 0.477 79 E N 3.784 123.993 120.200 0.015 0.000 2.146 79 E HA 0.300 4.650 4.350 -0.001 0.000 0.282 79 E C -0.683 175.891 176.600 -0.043 0.000 0.989 79 E CA -0.774 55.596 56.400 -0.051 0.000 0.799 79 E CB 0.885 30.545 29.700 -0.066 0.000 1.088 79 E HN 0.291 nan 8.360 nan 0.000 0.397 80 V N 4.687 124.506 119.914 -0.157 0.000 2.572 80 V HA 0.021 4.141 4.120 -0.001 0.000 0.291 80 V C 1.324 177.288 176.094 -0.217 0.000 1.039 80 V CA 0.806 63.012 62.300 -0.157 0.000 1.055 80 V CB 1.021 32.676 31.823 -0.281 0.000 0.969 80 V HN 0.965 nan 8.190 nan 0.000 0.482 81 T N 0.902 115.483 114.554 0.044 0.000 2.959 81 T HA 0.276 4.626 4.350 -0.001 0.000 0.254 81 T C 0.323 175.180 174.700 0.261 0.000 1.003 81 T CA -0.116 62.052 62.100 0.114 0.000 0.950 81 T CB 0.320 69.244 68.868 0.092 0.000 1.090 81 T HN 0.528 nan 8.240 nan 0.000 0.503 82 K N 0.720 121.325 120.400 0.340 0.000 2.557 82 K HA 0.573 4.892 4.320 -0.001 0.000 0.261 82 K C -2.285 174.589 176.600 0.457 0.000 0.932 82 K CA -0.708 55.799 56.287 0.367 0.000 0.829 82 K CB 2.739 35.374 32.500 0.225 0.000 1.358 82 K HN 0.006 nan 8.250 nan 0.000 0.430 83 V N 2.612 122.750 119.914 0.374 0.000 2.487 83 V HA 0.279 4.399 4.120 -0.001 0.000 0.298 83 V C -0.820 175.450 176.094 0.293 0.000 1.028 83 V CA -0.785 61.721 62.300 0.343 0.000 0.860 83 V CB 1.634 33.619 31.823 0.270 0.000 0.991 83 V HN 0.753 nan 8.190 nan 0.000 0.427 84 D N 3.179 123.775 120.400 0.328 0.000 2.412 84 D HA 0.189 4.829 4.640 -0.001 0.000 0.224 84 D C 1.237 177.662 176.300 0.208 0.000 1.093 84 D CA -0.029 54.118 54.000 0.246 0.000 0.850 84 D CB 1.941 42.906 40.800 0.275 0.000 1.046 84 D HN 0.728 nan 8.370 nan 0.000 0.507 85 T N 0.580 115.242 114.554 0.179 0.000 3.067 85 T HA -0.029 4.320 4.350 -0.001 0.000 0.261 85 T C 1.156 175.915 174.700 0.099 0.000 1.110 85 T CA 0.472 62.689 62.100 0.194 0.000 1.113 85 T CB 0.233 69.195 68.868 0.156 0.000 0.917 85 T HN 0.335 nan 8.240 nan 0.000 0.499 86 E N 1.651 121.888 120.200 0.062 0.000 2.060 86 E HA 0.034 4.383 4.350 -0.001 0.000 0.189 86 E C 1.971 178.563 176.600 -0.013 0.000 0.974 86 E CA 0.602 57.015 56.400 0.023 0.000 0.808 86 E CB -0.091 29.625 29.700 0.026 0.000 0.768 86 E HN 0.401 nan 8.360 nan 0.000 0.453 87 K N 1.023 121.421 120.400 -0.003 0.000 2.432 87 K HA 0.024 4.343 4.320 -0.001 0.000 0.196 87 K C 0.108 176.621 176.600 -0.145 0.000 1.038 87 K CA 0.109 56.372 56.287 -0.039 0.000 0.986 87 K CB 0.103 32.612 32.500 0.016 0.000 0.782 87 K HN 0.107 nan 8.250 nan 0.000 0.485 88 K N 0.737 121.009 120.400 -0.214 0.000 3.393 88 K HA -0.170 4.149 4.320 -0.001 0.000 0.272 88 K C -0.632 175.667 176.600 -0.500 0.000 1.004 88 K CA 0.458 56.325 56.287 -0.699 0.000 0.764 88 K CB -1.741 30.179 32.500 -0.968 0.000 1.373 88 K HN 0.197 nan 8.250 nan 0.000 0.458 89 I N 0.512 121.030 120.570 -0.086 0.000 2.498 89 I HA 0.283 4.453 4.170 -0.001 0.000 0.290 89 I C 0.019 176.150 176.117 0.023 0.000 1.032 89 I CA -1.310 59.940 61.300 -0.082 0.000 1.073 89 I CB 2.210 40.039 38.000 -0.285 0.000 1.251 89 I HN -0.173 nan 8.210 nan 0.000 0.426 90 V N 6.433 126.391 119.914 0.073 0.000 2.394 90 V HA 0.336 4.455 4.120 -0.001 0.000 0.282 90 V C -0.966 175.143 176.094 0.026 0.000 1.031 90 V CA -0.542 61.853 62.300 0.158 0.000 0.881 90 V CB 1.213 33.198 31.823 0.270 0.000 0.982 90 V HN 0.401 nan 8.190 nan 0.000 0.451 91 Y N 2.999 123.457 120.300 0.263 0.000 2.331 91 Y HA 0.722 5.272 4.550 -0.001 0.000 0.338 91 Y C 0.434 176.474 175.900 0.233 0.000 0.976 91 Y CA -0.459 57.774 58.100 0.222 0.000 1.137 91 Y CB 1.706 40.248 38.460 0.137 0.000 1.172 91 Y HN 0.703 nan 8.280 nan 0.000 0.478 92 A N 3.000 126.085 122.820 0.442 0.000 2.365 92 A HA 0.604 4.924 4.320 -0.001 0.000 0.318 92 A C -0.902 176.859 177.584 0.295 0.000 1.091 92 A CA -0.855 51.402 52.037 0.367 0.000 0.763 92 A CB 1.190 20.495 19.000 0.508 0.000 1.248 92 A HN 0.757 nan 8.150 nan 0.000 0.442 93 E N 1.008 121.305 120.200 0.162 0.000 2.175 93 E HA 0.184 4.534 4.350 -0.001 0.000 0.278 93 E C -0.801 175.838 176.600 0.066 0.000 0.969 93 E CA -0.572 55.888 56.400 0.100 0.000 0.796 93 E CB 0.646 30.377 29.700 0.051 0.000 1.104 93 E HN 0.768 nan 8.360 nan 0.000 0.395 94 H N 3.049 122.131 119.070 0.020 0.000 2.929 94 H HA -0.015 4.541 4.556 -0.001 0.000 0.317 94 H C 0.816 176.147 175.328 0.005 0.000 1.031 94 H CA 0.898 56.930 56.048 -0.027 0.000 1.466 94 H CB 1.098 30.916 29.762 0.092 0.000 1.482 94 H HN 0.667 nan 8.280 nan 0.000 0.561 95 T N 1.264 115.655 114.554 -0.271 0.000 3.035 95 T HA -0.070 4.280 4.350 -0.001 0.000 0.268 95 T C 1.723 176.448 174.700 0.041 0.000 1.109 95 T CA 0.890 62.937 62.100 -0.089 0.000 1.119 95 T CB 0.420 69.216 68.868 -0.120 0.000 0.900 95 T HN 0.504 nan 8.240 nan 0.000 0.503 96 K N 0.912 121.439 120.400 0.212 0.000 2.157 96 K HA 0.013 4.333 4.320 -0.001 0.000 0.207 96 K C 2.739 179.477 176.600 0.230 0.000 1.030 96 K CA 1.210 57.652 56.287 0.257 0.000 0.965 96 K CB -0.229 32.456 32.500 0.309 0.000 0.877 96 K HN 0.420 nan 8.250 nan 0.000 0.460 97 T N -0.659 114.066 114.554 0.285 0.000 2.951 97 T HA -0.017 4.333 4.350 -0.001 0.000 0.268 97 T C 0.693 175.437 174.700 0.073 0.000 1.073 97 T CA 0.800 62.945 62.100 0.075 0.000 1.134 97 T CB 0.013 68.832 68.868 -0.080 0.000 0.884 97 T HN 0.198 nan 8.240 nan 0.000 0.479 98 K N 0.310 120.790 120.400 0.132 0.000 3.500 98 K HA -0.115 4.204 4.320 -0.001 0.000 0.313 98 K C -0.885 175.713 176.600 -0.002 0.000 1.338 98 K CA 1.016 57.340 56.287 0.062 0.000 0.963 98 K CB -2.149 30.370 32.500 0.031 0.000 1.267 98 K HN 0.541 nan 8.250 nan 0.000 0.448 99 D N 0.883 121.261 120.400 -0.036 0.000 2.443 99 D HA 0.132 4.772 4.640 -0.001 0.000 0.239 99 D C 0.360 176.446 176.300 -0.358 0.000 1.136 99 D CA 0.087 53.950 54.000 -0.229 0.000 0.879 99 D CB 0.853 41.457 40.800 -0.327 0.000 1.195 99 D HN -0.170 nan 8.370 nan 0.000 0.443 100 V N 3.048 122.703 119.914 -0.431 0.000 2.439 100 V HA 0.368 4.488 4.120 -0.001 0.000 0.282 100 V C -0.109 175.660 176.094 -0.542 0.000 1.039 100 V CA -0.508 61.618 62.300 -0.290 0.000 0.913 100 V CB 0.391 32.152 31.823 -0.103 0.000 0.983 100 V HN 0.295 nan 8.190 nan 0.000 0.460 101 F N 2.438 122.431 119.950 0.073 0.000 2.561 101 F HA 0.643 5.169 4.527 -0.001 0.000 0.321 101 F C 0.310 176.017 175.800 -0.155 0.000 1.065 101 F CA -0.810 57.152 58.000 -0.062 0.000 0.934 101 F CB 1.807 40.794 39.000 -0.020 0.000 1.215 101 F HN 0.600 nan 8.300 nan 0.000 0.471 102 E N 1.058 121.091 120.200 -0.278 0.000 2.288 102 E HA 0.691 5.040 4.350 -0.001 0.000 0.268 102 E C -2.029 174.144 176.600 -0.712 0.000 0.885 102 E CA -0.739 55.422 56.400 -0.399 0.000 0.767 102 E CB 2.342 31.837 29.700 -0.343 0.000 1.220 102 E HN 0.417 nan 8.360 nan 0.000 0.427 103 F N 0.973 120.895 119.950 -0.046 0.000 2.536 103 F HA 0.296 4.823 4.527 -0.001 0.000 0.322 103 F C 0.176 175.982 175.800 0.010 0.000 1.144 103 F CA -0.912 57.099 58.000 0.018 0.000 0.924 103 F CB 2.466 41.504 39.000 0.062 0.000 1.181 103 F HN 0.425 nan 8.300 nan 0.000 0.438 104 S N 3.362 119.138 115.700 0.126 0.000 2.545 104 S HA 0.533 5.003 4.470 -0.001 0.000 0.275 104 S C -1.021 173.656 174.600 0.129 0.000 1.299 104 S CA -0.333 57.893 58.200 0.044 0.000 1.048 104 S CB 0.222 63.410 63.200 -0.021 0.000 0.938 104 S HN 0.508 nan 8.310 nan 0.000 0.496 105 Y N 1.803 122.120 120.300 0.028 0.000 2.499 105 Y HA 0.620 5.170 4.550 -0.001 0.000 0.347 105 Y C 0.197 176.086 175.900 -0.019 0.000 0.987 105 Y CA -1.103 57.005 58.100 0.013 0.000 1.044 105 Y CB 0.884 39.370 38.460 0.044 0.000 1.245 105 Y HN 0.442 nan 8.280 nan 0.000 0.461 106 D N 1.423 121.881 120.400 0.096 0.000 2.269 106 D HA 0.102 4.741 4.640 -0.001 0.000 0.220 106 D C 0.007 176.444 176.300 0.228 0.000 0.962 106 D CA 0.983 55.001 54.000 0.030 0.000 0.884 106 D CB 0.339 41.066 40.800 -0.122 0.000 1.023 106 D HN 0.559 nan 8.370 nan 0.000 0.484 107 R N 0.227 120.862 120.500 0.225 0.000 2.686 107 R HA 0.571 4.910 4.340 -0.001 0.000 0.283 107 R C -1.188 175.193 176.300 0.136 0.000 0.978 107 R CA -0.868 55.397 56.100 0.275 0.000 0.897 107 R CB 2.588 33.002 30.300 0.190 0.000 1.192 107 R HN -0.049 nan 8.270 nan 0.000 0.457 108 L N 2.646 123.834 121.223 -0.059 0.000 2.365 108 L HA 0.550 4.890 4.340 -0.001 0.000 0.273 108 L C -1.699 175.147 176.870 -0.040 0.000 1.000 108 L CA -0.908 53.750 54.840 -0.304 0.000 0.819 108 L CB 1.906 43.392 42.059 -0.955 0.000 1.284 108 L HN 0.553 nan 8.230 nan 0.000 0.418 109 L N 5.609 126.807 121.223 -0.041 0.000 2.333 109 L HA 0.633 4.973 4.340 -0.001 0.000 0.280 109 L C -1.124 175.750 176.870 0.008 0.000 1.004 109 L CA -0.122 54.728 54.840 0.018 0.000 0.820 109 L CB 1.441 43.488 42.059 -0.020 0.000 1.247 109 L HN 0.581 nan 8.230 nan 0.000 0.416 110 I N 5.550 126.144 120.570 0.040 0.000 2.304 110 I HA 0.557 4.726 4.170 -0.001 0.000 0.291 110 I C 0.378 176.526 176.117 0.051 0.000 1.018 110 I CA 0.015 61.356 61.300 0.069 0.000 1.260 110 I CB 1.530 39.577 38.000 0.078 0.000 1.390 110 I HN 0.812 nan 8.210 nan 0.000 0.475 111 A N 3.563 126.406 122.820 0.038 0.000 3.176 111 A HA 0.282 4.602 4.320 -0.001 0.000 0.265 111 A C 0.748 178.336 177.584 0.008 0.000 0.936 111 A CA -0.326 51.716 52.037 0.010 0.000 1.033 111 A CB -0.342 18.640 19.000 -0.030 0.000 1.158 111 A HN 0.711 nan 8.150 nan 0.000 0.485 112 T N -3.010 111.577 114.554 0.055 0.000 3.086 112 T HA 0.469 4.818 4.350 -0.001 0.000 0.250 112 T C 1.241 175.976 174.700 0.058 0.000 1.074 112 T CA 0.798 62.932 62.100 0.056 0.000 0.988 112 T CB -0.134 68.821 68.868 0.144 0.000 0.988 112 T HN 1.977 nan 8.240 nan 0.000 0.530 113 G N 1.662 110.498 108.800 0.059 0.000 2.641 113 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.254 113 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.254 113 G C -0.169 174.785 174.900 0.090 0.000 1.315 113 G CA 0.031 45.169 45.100 0.064 0.000 0.907 113 G HN 1.430 nan 8.290 nan 0.000 0.572 114 V N -2.233 117.735 119.914 0.090 0.000 3.103 114 V HA 1.004 5.123 4.120 -0.001 0.000 0.318 114 V C 0.238 176.377 176.094 0.076 0.000 1.114 114 V CA -0.172 62.187 62.300 0.099 0.000 1.020 114 V CB 1.772 33.675 31.823 0.133 0.000 1.085 114 V HN 1.579 nan 8.190 nan 0.000 0.446 115 R N 0.921 121.464 120.500 0.073 0.000 2.740 115 R HA 0.728 5.068 4.340 -0.001 0.000 0.282 115 R C -3.007 173.332 176.300 0.064 0.000 0.969 115 R CA -1.939 54.199 56.100 0.064 0.000 0.918 115 R CB 2.005 32.339 30.300 0.056 0.000 1.175 115 R HN 0.548 nan 8.270 nan 0.000 0.464 116 P HA 0.015 nan 4.420 nan 0.000 0.271 116 P C -0.182 177.154 177.300 0.061 0.000 1.216 116 P CA -0.331 62.810 63.100 0.069 0.000 0.776 116 P CB 1.028 32.775 31.700 0.078 0.000 0.881 120 E N 0.704 120.623 120.200 -0.469 0.000 2.467 120 E HA 0.148 4.498 4.350 -0.001 0.000 0.321 120 E C -0.932 175.580 176.600 -0.147 0.000 1.388 120 E CA 0.042 56.305 56.400 -0.228 0.000 1.508 120 E CB -0.223 29.391 29.700 -0.143 0.000 1.250 120 E HN 0.151 nan 8.360 nan 0.000 0.500 121 W N 1.145 122.406 121.300 -0.066 0.000 2.438 121 W HA 0.267 4.927 4.660 -0.001 0.000 0.324 121 W C 0.731 177.179 176.519 -0.117 0.000 1.119 121 W CA -1.250 56.000 57.345 -0.158 0.000 1.221 121 W CB 0.369 29.604 29.460 -0.375 0.000 1.253 121 W HN 0.265 nan 8.180 nan 0.000 0.555 122 E N 0.643 120.917 120.200 0.123 0.000 2.452 122 E HA 0.209 4.559 4.350 -0.001 0.000 0.261 122 E C 1.214 177.861 176.600 0.080 0.000 0.987 122 E CA 1.550 57.992 56.400 0.069 0.000 0.926 122 E CB 0.260 29.978 29.700 0.029 0.000 0.934 122 E HN 0.758 nan 8.360 nan 0.000 0.452 123 G N 4.448 113.328 108.800 0.134 0.000 2.199 123 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.254 123 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.254 123 G C 0.944 176.056 174.900 0.352 0.000 0.982 123 G CA 0.504 45.735 45.100 0.219 0.000 0.632 123 G HN 0.719 nan 8.290 nan 0.000 0.529 124 R N 0.828 121.544 120.500 0.361 0.000 2.165 124 R HA -0.190 4.150 4.340 -0.001 0.000 0.254 124 R C 2.206 178.641 176.300 0.224 0.000 1.153 124 R CA 2.266 58.596 56.100 0.384 0.000 0.971 124 R CB -0.456 29.981 30.300 0.228 0.000 0.878 124 R HN 0.706 nan 8.270 nan 0.000 0.449 125 D N 0.179 120.666 120.400 0.144 0.000 2.348 125 D HA -0.048 4.591 4.640 -0.001 0.000 0.211 125 D C 0.595 176.916 176.300 0.035 0.000 0.998 125 D CA 0.088 54.130 54.000 0.070 0.000 0.873 125 D CB -0.114 40.722 40.800 0.059 0.000 0.925 125 D HN 0.168 nan 8.370 nan 0.000 0.524 126 L N 1.702 122.958 121.223 0.054 0.000 2.559 126 L HA -0.052 4.288 4.340 -0.001 0.000 0.282 126 L C 0.962 177.802 176.870 -0.049 0.000 1.232 126 L CA 0.097 54.947 54.840 0.016 0.000 0.885 126 L CB 0.351 42.433 42.059 0.039 0.000 1.131 126 L HN -0.071 nan 8.230 nan 0.000 0.498 127 Q N 2.323 122.095 119.800 -0.046 0.000 2.286 127 Q HA 0.057 4.396 4.340 -0.001 0.000 0.290 127 Q C 1.064 177.001 176.000 -0.106 0.000 1.049 127 Q CA 1.095 56.852 55.803 -0.076 0.000 0.923 127 Q CB 0.739 29.460 28.738 -0.029 0.000 1.183 127 Q HN 0.942 nan 8.270 nan 0.000 0.383 128 G N 1.527 110.207 108.800 -0.200 0.000 2.176 128 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.232 128 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.232 128 G C -0.003 174.751 174.900 -0.243 0.000 0.986 128 G CA 0.023 45.042 45.100 -0.136 0.000 0.643 128 G HN 0.458 nan 8.290 nan 0.000 0.522 129 V N 3.147 122.840 119.914 -0.369 0.000 2.432 129 V HA 0.586 4.706 4.120 -0.001 0.000 0.271 129 V C 0.289 176.151 176.094 -0.387 0.000 1.046 129 V CA -0.449 61.649 62.300 -0.336 0.000 0.945 129 V CB 1.154 32.811 31.823 -0.276 0.000 0.992 129 V HN 0.357 nan 8.190 nan 0.000 0.471 130 H N 4.540 123.591 119.070 -0.033 0.000 2.768 130 H HA 0.622 5.177 4.556 -0.001 0.000 0.371 130 H C -0.831 174.532 175.328 0.059 0.000 1.151 130 H CA -0.608 55.455 56.048 0.027 0.000 1.165 130 H CB 2.478 32.265 29.762 0.043 0.000 1.722 130 H HN 0.425 nan 8.280 nan 0.000 0.543 131 L N 1.972 123.317 121.223 0.203 0.000 2.322 131 L HA 0.377 4.717 4.340 -0.001 0.000 0.269 131 L C -0.694 176.260 176.870 0.140 0.000 1.012 131 L CA -1.118 53.814 54.840 0.154 0.000 0.815 131 L CB 1.752 43.883 42.059 0.120 0.000 1.295 131 L HN 0.195 nan 8.230 nan 0.000 0.438 132 L N 2.080 123.365 121.223 0.104 0.000 2.372 132 L HA 0.435 4.774 4.340 -0.001 0.000 0.273 132 L C -0.236 176.675 176.870 0.068 0.000 0.989 132 L CA 0.199 55.083 54.840 0.072 0.000 0.841 132 L CB 1.124 43.208 42.059 0.041 0.000 1.225 132 L HN 0.632 nan 8.230 nan 0.000 0.414 133 K N 1.827 122.274 120.400 0.078 0.000 2.770 133 K HA 0.306 4.626 4.320 -0.001 0.000 0.195 133 K C 0.095 176.782 176.600 0.145 0.000 1.515 133 K CA 1.070 57.414 56.287 0.094 0.000 1.199 133 K CB 0.464 33.016 32.500 0.088 0.000 1.681 133 K HN 0.649 nan 8.250 nan 0.000 0.586 134 T N -1.935 112.689 114.554 0.117 0.000 2.940 134 T HA 0.432 4.781 4.350 -0.001 0.000 0.288 134 T C 1.418 176.119 174.700 0.002 0.000 1.045 134 T CA -0.679 61.481 62.100 0.099 0.000 1.018 134 T CB 1.042 69.927 68.868 0.028 0.000 1.151 134 T HN -0.008 nan 8.240 nan 0.000 0.529 135 I N 1.142 121.606 120.570 -0.177 0.000 2.127 135 I HA -0.041 4.129 4.170 -0.001 0.000 0.241 135 I C -0.766 175.306 176.117 -0.074 0.000 1.075 135 I CA 1.103 62.318 61.300 -0.141 0.000 1.334 135 I CB -1.022 36.828 38.000 -0.251 0.000 1.040 135 I HN 0.545 nan 8.210 nan 0.000 0.405 136 P HA -0.178 nan 4.420 nan 0.000 0.216 136 P C 0.978 178.282 177.300 0.007 0.000 1.150 136 P CA 1.516 64.600 63.100 -0.027 0.000 0.843 136 P CB -0.077 31.609 31.700 -0.024 0.000 0.787 137 D N -0.835 119.576 120.400 0.019 0.000 2.123 137 D HA -0.146 4.494 4.640 -0.001 0.000 0.196 137 D C 1.990 178.301 176.300 0.018 0.000 0.992 137 D CA 1.705 55.735 54.000 0.050 0.000 0.833 137 D CB -0.750 40.086 40.800 0.061 0.000 0.954 137 D HN 0.086 nan 8.370 nan 0.000 0.455 138 A N 1.014 123.831 122.820 -0.005 0.000 1.929 138 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 138 A C 2.015 179.577 177.584 -0.037 0.000 1.176 138 A CA 1.053 53.071 52.037 -0.031 0.000 0.628 138 A CB -0.198 18.789 19.000 -0.022 0.000 0.816 138 A HN 0.044 nan 8.150 nan 0.000 0.444 139 E N 0.161 120.350 120.200 -0.019 0.000 2.072 139 E HA -0.157 4.192 4.350 -0.001 0.000 0.191 139 E C 2.117 178.718 176.600 0.001 0.000 0.985 139 E CA 0.863 57.257 56.400 -0.010 0.000 0.801 139 E CB -0.357 29.340 29.700 -0.005 0.000 0.750 139 E HN 0.576 nan 8.360 nan 0.000 0.452 140 R N 0.276 120.790 120.500 0.023 0.000 2.120 140 R HA -0.026 4.314 4.340 -0.001 0.000 0.234 140 R C 2.465 178.755 176.300 -0.017 0.000 1.123 140 R CA 0.761 56.910 56.100 0.081 0.000 0.975 140 R CB -0.202 30.209 30.300 0.186 0.000 0.866 140 R HN 0.186 nan 8.270 nan 0.000 0.446 141 I N 0.420 120.855 120.570 -0.225 0.000 2.286 141 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 141 I C 2.046 178.081 176.117 -0.136 0.000 1.104 141 I CA 1.046 62.090 61.300 -0.428 0.000 1.397 141 I CB -0.084 37.728 38.000 -0.313 0.000 1.072 141 I HN 0.131 nan 8.210 nan 0.000 0.417 142 L N 0.416 121.600 121.223 -0.064 0.000 2.093 142 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 142 L C 2.565 179.438 176.870 0.005 0.000 1.085 142 L CA 1.057 55.888 54.840 -0.016 0.000 0.755 142 L CB -0.465 41.587 42.059 -0.013 0.000 0.904 142 L HN 0.127 nan 8.230 nan 0.000 0.435 143 K N 0.065 120.473 120.400 0.012 0.000 2.063 143 K HA -0.145 4.175 4.320 -0.001 0.000 0.208 143 K C 1.990 178.618 176.600 0.047 0.000 1.048 143 K CA 1.990 58.297 56.287 0.033 0.000 0.928 143 K CB -0.638 31.889 32.500 0.045 0.000 0.713 143 K HN 0.129 nan 8.250 nan 0.000 0.442 144 T N 1.211 115.804 114.554 0.066 0.000 2.746 144 T HA -0.092 4.258 4.350 -0.001 0.000 0.267 144 T C 1.741 176.472 174.700 0.052 0.000 1.039 144 T CA 1.548 63.702 62.100 0.090 0.000 1.142 144 T CB -0.196 68.787 68.868 0.193 0.000 0.866 144 T HN 0.126 nan 8.240 nan 0.000 0.444 145 L N 0.536 121.783 121.223 0.040 0.000 2.093 145 L HA -0.036 4.304 4.340 -0.001 0.000 0.208 145 L C 2.930 179.821 176.870 0.034 0.000 1.085 145 L CA 1.074 55.940 54.840 0.043 0.000 0.755 145 L CB -0.350 41.748 42.059 0.064 0.000 0.904 145 L HN 0.160 nan 8.230 nan 0.000 0.435 146 E N -0.065 120.153 120.200 0.030 0.000 2.046 146 E HA -0.159 4.191 4.350 -0.001 0.000 0.190 146 E C 1.995 178.609 176.600 0.024 0.000 0.982 146 E CA 1.864 58.279 56.400 0.025 0.000 0.800 146 E CB 0.093 29.806 29.700 0.022 0.000 0.756 146 E HN 0.481 nan 8.360 nan 0.000 0.449 147 T N -1.625 112.945 114.554 0.027 0.000 3.086 147 T HA 0.199 4.548 4.350 -0.001 0.000 0.250 147 T C 0.566 175.280 174.700 0.023 0.000 1.074 147 T CA -0.389 61.725 62.100 0.025 0.000 0.988 147 T CB 0.124 69.008 68.868 0.027 0.000 0.988 147 T HN -0.079 nan 8.240 nan 0.000 0.530 148 N N 1.565 120.279 118.700 0.023 0.000 2.405 148 N HA 0.304 5.043 4.740 -0.001 0.000 0.285 148 N C -1.127 174.392 175.510 0.014 0.000 1.262 148 N CA -0.960 52.101 53.050 0.018 0.000 0.773 148 N CB 1.849 40.347 38.487 0.019 0.000 1.490 148 N HN 0.194 nan 8.380 nan 0.000 0.486 149 K N 0.822 121.227 120.400 0.009 0.000 2.206 149 K HA 0.264 4.583 4.320 -0.001 0.000 0.268 149 K C -0.671 175.928 176.600 -0.001 0.000 1.111 149 K CA -0.305 55.985 56.287 0.006 0.000 0.955 149 K CB 0.149 32.652 32.500 0.005 0.000 1.406 149 K HN 0.174 nan 8.250 nan 0.000 0.427 150 V N 3.988 123.900 119.914 -0.003 0.000 2.383 150 V HA 0.085 4.205 4.120 -0.001 0.000 0.275 150 V C 1.142 177.224 176.094 -0.018 0.000 1.036 150 V CA -0.272 62.016 62.300 -0.021 0.000 0.889 150 V CB 0.748 32.553 31.823 -0.031 0.000 0.985 150 V HN 0.861 nan 8.190 nan 0.000 0.459 151 E N 2.064 122.247 120.200 -0.027 0.000 2.444 151 E HA 0.205 4.555 4.350 -0.001 0.000 0.209 151 E C -0.485 176.095 176.600 -0.033 0.000 0.806 151 E CA -0.393 55.996 56.400 -0.019 0.000 1.240 151 E CB 0.767 30.463 29.700 -0.007 0.000 1.238 151 E HN 0.573 nan 8.360 nan 0.000 0.591 152 D N 2.086 122.457 120.400 -0.048 0.000 2.303 152 D HA 0.354 4.994 4.640 -0.001 0.000 0.236 152 D C -0.839 175.391 176.300 -0.117 0.000 1.068 152 D CA -0.342 53.624 54.000 -0.057 0.000 0.830 152 D CB 2.944 43.728 40.800 -0.027 0.000 1.109 152 D HN -0.111 nan 8.370 nan 0.000 0.496 153 V N 2.204 122.024 119.914 -0.157 0.000 2.495 153 V HA 0.383 4.503 4.120 -0.001 0.000 0.298 153 V C 0.246 176.239 176.094 -0.169 0.000 1.031 153 V CA -0.498 61.634 62.300 -0.279 0.000 0.871 153 V CB 2.123 33.593 31.823 -0.588 0.000 0.988 153 V HN 0.478 nan 8.190 nan 0.000 0.432 154 T N 5.916 120.379 114.554 -0.152 0.000 2.807 154 T HA 0.669 5.019 4.350 -0.001 0.000 0.279 154 T C -0.371 174.303 174.700 -0.044 0.000 0.993 154 T CA -0.168 61.890 62.100 -0.070 0.000 0.970 154 T CB 1.151 69.999 68.868 -0.033 0.000 0.950 154 T HN 0.387 nan 8.240 nan 0.000 0.441 155 I N 4.119 124.703 120.570 0.023 0.000 2.354 155 I HA 0.378 4.548 4.170 -0.001 0.000 0.292 155 I C -0.293 175.880 176.117 0.093 0.000 0.989 155 I CA -0.935 60.413 61.300 0.079 0.000 1.188 155 I CB 1.231 39.304 38.000 0.121 0.000 1.342 155 I HN 0.375 nan 8.210 nan 0.000 0.457 156 I N 5.537 126.187 120.570 0.133 0.000 2.315 156 I HA 0.577 4.746 4.170 -0.001 0.000 0.291 156 I C 0.734 176.968 176.117 0.196 0.000 1.006 156 I CA -0.073 61.335 61.300 0.180 0.000 1.265 156 I CB 0.159 38.325 38.000 0.277 0.000 1.387 156 I HN 0.828 nan 8.210 nan 0.000 0.475 157 G N 4.169 113.075 108.800 0.176 0.000 2.699 157 G HA2 0.117 4.077 3.960 -0.001 0.000 0.686 157 G HA3 0.117 4.077 3.960 -0.001 0.000 0.686 157 G C -0.122 174.835 174.900 0.095 0.000 1.301 157 G CA -0.414 44.786 45.100 0.168 0.000 0.816 157 G HN 0.992 nan 8.290 nan 0.000 0.595 158 G N -0.522 108.312 108.800 0.057 0.000 3.345 158 G HA2 0.965 4.924 3.960 -0.001 0.000 0.202 158 G HA3 0.965 4.924 3.960 -0.001 0.000 0.202 158 G C 1.463 176.329 174.900 -0.057 0.000 1.740 158 G CA 1.332 46.423 45.100 -0.015 0.000 0.806 158 G HN 2.752 nan 8.290 nan 0.000 0.718 159 G N -0.802 107.946 108.800 -0.087 0.000 2.692 159 G HA2 0.201 4.160 3.960 -0.001 0.000 0.248 159 G HA3 0.201 4.160 3.960 -0.001 0.000 0.248 159 G C 1.305 176.161 174.900 -0.073 0.000 1.340 159 G CA 1.106 46.152 45.100 -0.090 0.000 0.896 159 G HN 1.666 nan 8.290 nan 0.000 0.570 160 A N -0.741 122.050 122.820 -0.048 0.000 1.865 160 A HA -0.003 4.317 4.320 -0.001 0.000 0.217 160 A C 2.644 180.207 177.584 -0.036 0.000 1.191 160 A CA 2.645 54.664 52.037 -0.029 0.000 0.623 160 A CB -0.477 18.517 19.000 -0.011 0.000 0.826 160 A HN 1.033 nan 8.150 nan 0.000 0.444 161 I N -0.425 120.125 120.570 -0.033 0.000 2.226 161 I HA -0.195 3.974 4.170 -0.001 0.000 0.245 161 I C 2.722 178.824 176.117 -0.026 0.000 1.100 161 I CA 1.105 62.387 61.300 -0.031 0.000 1.374 161 I CB -0.807 37.185 38.000 -0.012 0.000 1.057 161 I HN 0.418 nan 8.210 nan 0.000 0.413 162 G N 1.291 110.082 108.800 -0.016 0.000 2.446 162 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 162 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 162 G C 1.726 176.614 174.900 -0.019 0.000 1.168 162 G CA 0.555 45.657 45.100 0.005 0.000 0.771 162 G HN 0.253 nan 8.290 nan 0.000 0.551 163 L N 0.171 121.336 121.223 -0.098 0.000 2.046 163 L HA 0.061 4.400 4.340 -0.001 0.000 0.208 163 L C 1.833 178.734 176.870 0.052 0.000 1.077 163 L CA 0.495 55.230 54.840 -0.175 0.000 0.747 163 L CB -0.427 41.378 42.059 -0.423 0.000 0.896 163 L HN 0.285 nan 8.230 nan 0.000 0.432 167 E N 0.584 120.868 120.200 0.140 0.000 2.070 167 E HA -0.214 4.136 4.350 -0.001 0.000 0.197 167 E C 1.749 178.318 176.600 -0.051 0.000 1.004 167 E CA 2.292 58.696 56.400 0.007 0.000 0.805 167 E CB -0.245 29.454 29.700 -0.000 0.000 0.744 167 E HN 0.513 nan 8.360 nan 0.000 0.451 168 T N -0.070 114.390 114.554 -0.155 0.000 2.720 168 T HA -0.152 4.198 4.350 -0.001 0.000 0.268 168 T C 1.308 175.879 174.700 -0.215 0.000 1.037 168 T CA 1.590 63.525 62.100 -0.274 0.000 1.144 168 T CB -0.337 68.229 68.868 -0.504 0.000 0.864 168 T HN 0.190 nan 8.240 nan 0.000 0.444 169 F N 0.568 120.511 119.950 -0.012 0.000 2.206 169 F HA 0.055 4.582 4.527 -0.001 0.000 0.298 169 F C 2.406 178.212 175.800 0.009 0.000 1.090 169 F CA -0.144 57.855 58.000 -0.002 0.000 1.323 169 F CB -1.098 37.904 39.000 0.004 0.000 1.028 169 F HN -0.039 nan 8.300 nan 0.000 0.492 170 V N 0.112 120.135 119.914 0.182 0.000 2.287 170 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 170 V C 2.144 178.282 176.094 0.073 0.000 1.053 170 V CA 2.076 64.443 62.300 0.112 0.000 1.027 170 V CB -0.569 31.292 31.823 0.064 0.000 0.646 170 V HN 0.310 nan 8.190 nan 0.000 0.447 171 E N -0.319 119.903 120.200 0.036 0.000 2.268 171 E HA -0.112 4.238 4.350 -0.001 0.000 0.195 171 E C 1.858 178.481 176.600 0.039 0.000 0.995 171 E CA 0.752 57.165 56.400 0.022 0.000 0.836 171 E CB -0.093 29.604 29.700 -0.005 0.000 0.763 171 E HN 0.529 nan 8.360 nan 0.000 0.491 172 L N -0.414 120.847 121.223 0.064 0.000 2.627 172 L HA 0.146 4.485 4.340 -0.001 0.000 0.233 172 L C 1.203 178.123 176.870 0.083 0.000 1.144 172 L CA 0.253 55.140 54.840 0.079 0.000 0.892 172 L CB 0.042 42.175 42.059 0.123 0.000 1.039 172 L HN 0.236 nan 8.230 nan 0.000 0.442 173 G N -0.200 108.648 108.800 0.080 0.000 2.137 173 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.237 173 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.237 173 G C 0.206 175.147 174.900 0.068 0.000 1.002 173 G CA -0.126 45.014 45.100 0.067 0.000 0.702 173 G HN 0.175 nan 8.290 nan 0.000 0.515 174 K N -0.015 120.441 120.400 0.092 0.000 2.090 174 K HA 0.486 4.805 4.320 -0.001 0.000 0.249 174 K C 0.357 176.994 176.600 0.061 0.000 0.995 174 K CA -0.813 55.512 56.287 0.063 0.000 0.914 174 K CB 1.151 33.681 32.500 0.050 0.000 1.057 174 K HN 0.308 nan 8.250 nan 0.000 0.462 175 K N 1.249 121.667 120.400 0.029 0.000 2.262 175 K HA 0.237 4.557 4.320 -0.001 0.000 0.282 175 K C -1.009 175.605 176.600 0.023 0.000 1.066 175 K CA -0.420 55.888 56.287 0.035 0.000 0.901 175 K CB 0.636 33.146 32.500 0.017 0.000 1.089 175 K HN 0.210 nan 8.250 nan 0.000 0.476 176 V N 5.285 125.234 119.914 0.058 0.000 2.435 176 V HA 0.447 4.567 4.120 -0.001 0.000 0.290 176 V C 0.136 176.257 176.094 0.046 0.000 1.030 176 V CA -0.787 61.547 62.300 0.057 0.000 0.881 176 V CB 1.304 33.207 31.823 0.134 0.000 0.983 176 V HN 0.836 nan 8.190 nan 0.000 0.445 180 E N 6.179 126.439 120.200 0.100 0.000 2.277 180 E HA 0.648 4.997 4.350 -0.001 0.000 0.274 180 E C -0.791 175.891 176.600 0.137 0.000 1.022 180 E CA -1.004 55.474 56.400 0.130 0.000 0.853 180 E CB 1.516 31.301 29.700 0.142 0.000 1.086 180 E HN 0.423 nan 8.360 nan 0.000 0.397 181 R N 2.040 122.644 120.500 0.173 0.000 2.254 181 R HA 0.217 4.556 4.340 -0.001 0.000 0.318 181 R C 0.318 176.680 176.300 0.103 0.000 1.031 181 R CA -0.588 55.597 56.100 0.141 0.000 0.905 181 R CB 0.619 31.017 30.300 0.163 0.000 1.050 181 R HN 0.601 nan 8.270 nan 0.000 0.456 182 N N 2.201 120.935 118.700 0.058 0.000 2.457 182 N HA -0.133 4.607 4.740 -0.001 0.000 0.180 182 N C 0.622 176.139 175.510 0.012 0.000 1.050 182 N CA 1.100 54.179 53.050 0.047 0.000 0.906 182 N CB 0.027 38.536 38.487 0.037 0.000 0.968 182 N HN 0.643 nan 8.380 nan 0.000 0.445 183 D N -0.536 119.827 120.400 -0.063 0.000 2.264 183 D HA -0.141 4.499 4.640 -0.001 0.000 0.208 183 D C 1.018 177.241 176.300 -0.128 0.000 0.966 183 D CA 1.205 55.125 54.000 -0.134 0.000 0.864 183 D CB -0.341 40.322 40.800 -0.227 0.000 0.933 183 D HN 0.277 nan 8.370 nan 0.000 0.499 184 H N -0.421 118.682 119.070 0.055 0.000 2.529 184 H HA 0.325 4.880 4.556 -0.001 0.000 0.277 184 H C 0.211 175.570 175.328 0.051 0.000 1.004 184 H CA -0.457 55.621 56.048 0.050 0.000 1.167 184 H CB 0.007 29.802 29.762 0.055 0.000 1.445 184 H HN 0.256 nan 8.280 nan 0.000 0.554 185 I N 0.606 121.264 120.570 0.146 0.000 2.533 185 I HA 0.079 4.249 4.170 -0.001 0.000 0.284 185 I C 1.373 177.545 176.117 0.091 0.000 1.109 185 I CA 0.727 62.099 61.300 0.120 0.000 1.412 185 I CB 0.904 38.966 38.000 0.104 0.000 1.396 185 I HN 0.371 nan 8.210 nan 0.000 0.543 186 G N 3.706 112.559 108.800 0.089 0.000 2.179 186 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.260 186 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.260 186 G C 0.994 175.913 174.900 0.032 0.000 0.977 186 G CA 0.714 45.849 45.100 0.059 0.000 0.641 186 G HN 0.688 nan 8.290 nan 0.000 0.533 187 T N -1.553 113.032 114.554 0.051 0.000 2.904 187 T HA 0.285 4.635 4.350 -0.001 0.000 0.267 187 T C 2.262 176.940 174.700 -0.036 0.000 1.059 187 T CA 1.579 63.697 62.100 0.030 0.000 1.137 187 T CB -0.023 68.905 68.868 0.100 0.000 0.879 187 T HN 0.484 nan 8.240 nan 0.000 0.467 188 I N -2.090 118.447 120.570 -0.055 0.000 3.136 188 I HA 0.306 4.476 4.170 -0.001 0.000 0.262 188 I C 0.051 175.927 176.117 -0.403 0.000 1.132 188 I CA -0.233 60.942 61.300 -0.208 0.000 1.450 188 I CB 0.401 38.315 38.000 -0.145 0.000 1.315 188 I HN 0.099 nan 8.210 nan 0.000 0.460 189 Y N 1.468 121.757 120.300 -0.018 0.000 2.429 189 Y HA 0.299 4.849 4.550 -0.001 0.000 0.342 189 Y C -0.111 175.792 175.900 0.004 0.000 1.004 189 Y CA -1.293 56.803 58.100 -0.007 0.000 1.075 189 Y CB 0.877 39.328 38.460 -0.015 0.000 1.214 189 Y HN -0.034 nan 8.280 nan 0.000 0.455 190 D N 0.857 121.348 120.400 0.151 0.000 2.362 190 D HA 0.012 4.651 4.640 -0.001 0.000 0.238 190 D C 1.194 177.571 176.300 0.128 0.000 1.212 190 D CA 0.589 54.654 54.000 0.108 0.000 0.902 190 D CB 1.019 41.874 40.800 0.092 0.000 1.180 190 D HN 0.908 nan 8.370 nan 0.000 0.445 191 G N 0.389 109.247 108.800 0.097 0.000 2.408 191 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.217 191 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.217 191 G C 0.553 175.496 174.900 0.071 0.000 1.150 191 G CA 0.588 45.745 45.100 0.094 0.000 0.776 191 G HN 0.633 nan 8.290 nan 0.000 0.542 195 E N -0.233 119.939 120.200 -0.047 0.000 2.130 195 E HA -0.258 4.092 4.350 -0.001 0.000 0.196 195 E C 1.325 177.809 176.600 -0.194 0.000 0.998 195 E CA 2.051 58.405 56.400 -0.077 0.000 0.806 195 E CB -0.363 29.169 29.700 -0.281 0.000 0.738 195 E HN 0.819 nan 8.360 nan 0.000 0.459 196 Y N 0.205 120.447 120.300 -0.096 0.000 2.352 196 Y HA -0.126 4.424 4.550 -0.001 0.000 0.292 196 Y C 2.066 177.931 175.900 -0.058 0.000 1.136 196 Y CA 0.594 58.625 58.100 -0.115 0.000 1.227 196 Y CB -0.106 38.244 38.460 -0.183 0.000 0.991 196 Y HN 0.047 nan 8.280 nan 0.000 0.545 197 I N -1.597 118.966 120.570 -0.013 0.000 2.233 197 I HA -0.287 3.883 4.170 -0.001 0.000 0.243 197 I C 1.752 177.867 176.117 -0.004 0.000 1.093 197 I CA 1.329 62.587 61.300 -0.071 0.000 1.380 197 I CB -0.690 37.093 38.000 -0.362 0.000 1.067 197 I HN 0.157 nan 8.210 nan 0.000 0.413 198 Y N 1.464 121.781 120.300 0.028 0.000 2.114 198 Y HA -0.280 4.270 4.550 -0.001 0.000 0.282 198 Y C 2.714 178.643 175.900 0.048 0.000 1.165 198 Y CA 1.301 59.419 58.100 0.030 0.000 1.148 198 Y CB -0.330 38.119 38.460 -0.018 0.000 0.972 198 Y HN 0.032 nan 8.280 nan 0.000 0.504 199 K N -0.067 120.438 120.400 0.176 0.000 2.032 199 K HA -0.263 4.056 4.320 -0.001 0.000 0.209 199 K C 2.008 178.676 176.600 0.113 0.000 1.048 199 K CA 1.850 58.197 56.287 0.100 0.000 0.927 199 K CB -0.204 32.325 32.500 0.048 0.000 0.712 199 K HN 0.186 nan 8.250 nan 0.000 0.441 200 E N 0.832 121.132 120.200 0.167 0.000 2.106 200 E HA -0.133 4.217 4.350 -0.001 0.000 0.192 200 E C 1.676 178.402 176.600 0.211 0.000 0.984 200 E CA 1.319 57.825 56.400 0.177 0.000 0.806 200 E CB -0.080 29.729 29.700 0.181 0.000 0.750 200 E HN 0.291 nan 8.360 nan 0.000 0.458 201 A N 0.673 123.692 122.820 0.330 0.000 1.845 201 A HA -0.226 4.094 4.320 -0.001 0.000 0.215 201 A C 2.167 179.852 177.584 0.169 0.000 1.195 201 A CA 1.969 54.212 52.037 0.343 0.000 0.616 201 A CB -1.148 18.091 19.000 0.399 0.000 0.832 201 A HN 0.403 nan 8.150 nan 0.000 0.443 202 D N -0.626 119.849 120.400 0.126 0.000 2.133 202 D HA -0.225 4.415 4.640 -0.001 0.000 0.195 202 D C 1.939 178.174 176.300 -0.107 0.000 0.997 202 D CA 1.852 55.873 54.000 0.035 0.000 0.840 202 D CB -0.136 40.689 40.800 0.042 0.000 0.947 202 D HN 0.520 nan 8.370 nan 0.000 0.452 203 K N -0.938 119.384 120.400 -0.131 0.000 2.152 203 K HA -0.159 4.160 4.320 -0.001 0.000 0.206 203 K C 1.223 177.442 176.600 -0.635 0.000 1.048 203 K CA 1.215 57.302 56.287 -0.334 0.000 0.933 203 K CB -0.017 32.320 32.500 -0.270 0.000 0.721 203 K HN 0.386 nan 8.250 nan 0.000 0.447 204 H N -0.862 118.021 119.070 -0.312 0.000 2.520 204 H HA 0.078 4.633 4.556 -0.001 0.000 0.284 204 H C -0.455 174.769 175.328 -0.173 0.000 1.037 204 H CA 0.201 56.084 56.048 -0.274 0.000 1.168 204 H CB 0.375 30.040 29.762 -0.162 0.000 1.497 204 H HN 0.335 nan 8.280 nan 0.000 0.547 205 H N -0.999 118.124 119.070 0.089 0.000 2.931 205 H HA -0.127 4.429 4.556 -0.001 0.000 0.290 205 H C 0.034 175.412 175.328 0.084 0.000 1.264 205 H CA 0.475 56.563 56.048 0.066 0.000 1.140 205 H CB -2.332 27.456 29.762 0.044 0.000 1.343 205 H HN 0.373 nan 8.280 nan 0.000 0.403 206 I N 1.607 122.275 120.570 0.162 0.000 2.297 206 I HA 0.086 4.256 4.170 -0.001 0.000 0.291 206 I C 1.002 177.196 176.117 0.128 0.000 1.033 206 I CA 0.033 61.429 61.300 0.160 0.000 1.253 206 I CB 1.314 39.444 38.000 0.218 0.000 1.396 206 I HN 0.132 nan 8.210 nan 0.000 0.476 207 E N 7.603 127.853 120.200 0.083 0.000 2.223 207 E HA 0.330 4.679 4.350 -0.001 0.000 0.282 207 E C -0.892 175.728 176.600 0.032 0.000 1.046 207 E CA -0.385 56.038 56.400 0.038 0.000 0.857 207 E CB 0.789 30.478 29.700 -0.019 0.000 1.055 207 E HN 0.505 nan 8.360 nan 0.000 0.409 208 I N 6.349 126.949 120.570 0.051 0.000 2.339 208 I HA 0.213 4.383 4.170 -0.001 0.000 0.290 208 I C -0.396 175.728 176.117 0.012 0.000 0.994 208 I CA -0.695 60.647 61.300 0.069 0.000 1.191 208 I CB 1.048 39.158 38.000 0.184 0.000 1.343 208 I HN 0.413 nan 8.210 nan 0.000 0.458 209 L N 6.413 127.632 121.223 -0.007 0.000 2.272 209 L HA 0.476 4.816 4.340 -0.001 0.000 0.289 209 L C -0.019 176.859 176.870 0.014 0.000 1.032 209 L CA -0.324 54.500 54.840 -0.027 0.000 0.810 209 L CB 1.427 43.442 42.059 -0.073 0.000 1.205 209 L HN 0.550 nan 8.230 nan 0.000 0.422 210 T N 1.310 115.864 114.554 -0.001 0.000 2.943 210 T HA 0.174 4.524 4.350 -0.001 0.000 0.284 210 T C 0.515 175.225 174.700 0.017 0.000 1.015 210 T CA -0.401 61.707 62.100 0.013 0.000 1.042 210 T CB 1.095 69.939 68.868 -0.041 0.000 1.055 210 T HN 0.660 nan 8.240 nan 0.000 0.500 211 N N 1.632 120.350 118.700 0.031 0.000 2.705 211 N HA -0.203 4.537 4.740 -0.001 0.000 0.255 211 N C -0.660 174.870 175.510 0.033 0.000 1.008 211 N CA 0.895 53.962 53.050 0.029 0.000 0.742 211 N CB -0.649 37.847 38.487 0.015 0.000 0.906 211 N HN 0.761 nan 8.380 nan 0.000 0.541 212 E N -0.023 120.204 120.200 0.045 0.000 2.290 212 E HA 0.326 4.676 4.350 -0.001 0.000 0.274 212 E C -1.311 175.321 176.600 0.055 0.000 0.889 212 E CA -0.809 55.622 56.400 0.052 0.000 0.760 212 E CB 0.688 30.427 29.700 0.065 0.000 1.206 212 E HN 0.283 nan 8.360 nan 0.000 0.419 213 N N 2.707 121.434 118.700 0.044 0.000 2.408 213 N HA 0.224 4.963 4.740 -0.001 0.000 0.280 213 N C -0.445 175.056 175.510 -0.016 0.000 1.002 213 N CA -0.401 52.676 53.050 0.045 0.000 0.907 213 N CB 1.985 40.507 38.487 0.058 0.000 1.161 213 N HN 0.155 nan 8.380 nan 0.000 0.488 214 V N 2.744 122.608 119.914 -0.084 0.000 2.843 214 V HA -0.003 4.116 4.120 -0.001 0.000 0.305 214 V C 1.586 177.445 176.094 -0.392 0.000 1.065 214 V CA 0.539 62.613 62.300 -0.377 0.000 1.116 214 V CB 0.751 32.041 31.823 -0.887 0.000 0.968 214 V HN 0.813 nan 8.190 nan 0.000 0.487 215 K N 2.278 122.399 120.400 -0.465 0.000 2.544 215 K HA 0.637 4.957 4.320 -0.001 0.000 0.213 215 K C 0.086 176.473 176.600 -0.354 0.000 1.392 215 K CA 0.451 56.564 56.287 -0.291 0.000 0.980 215 K CB 1.239 33.671 32.500 -0.113 0.000 1.177 215 K HN 0.735 nan 8.250 nan 0.000 0.570 216 A N 0.845 123.360 122.820 -0.508 0.000 2.605 216 A HA 0.624 4.944 4.320 -0.001 0.000 0.294 216 A C -1.958 175.358 177.584 -0.447 0.000 1.062 216 A CA -0.751 51.036 52.037 -0.416 0.000 0.682 216 A CB 0.767 19.671 19.000 -0.159 0.000 1.278 216 A HN 0.111 nan 8.150 nan 0.000 0.410 217 F N 1.592 121.502 119.950 -0.068 0.000 2.420 217 F HA 0.573 5.099 4.527 -0.001 0.000 0.342 217 F C 0.688 176.471 175.800 -0.029 0.000 1.113 217 F CA -0.698 57.269 58.000 -0.055 0.000 1.059 217 F CB 1.758 40.747 39.000 -0.019 0.000 1.128 217 F HN 0.325 nan 8.300 nan 0.000 0.475 218 K N 1.730 122.222 120.400 0.155 0.000 2.164 218 K HA 0.857 5.177 4.320 -0.001 0.000 0.258 218 K C 0.037 176.672 176.600 0.059 0.000 0.951 218 K CA -0.640 55.690 56.287 0.070 0.000 0.844 218 K CB 2.071 34.587 32.500 0.027 0.000 1.099 218 K HN 0.887 nan 8.250 nan 0.000 0.435 219 G N 1.276 110.100 108.800 0.041 0.000 2.339 219 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.302 219 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.302 219 G C -0.106 174.809 174.900 0.024 0.000 1.425 219 G CA -0.596 44.521 45.100 0.028 0.000 0.899 219 G HN 0.505 nan 8.290 nan 0.000 0.619 220 N N -0.024 118.686 118.700 0.016 0.000 2.220 220 N HA 0.065 4.805 4.740 -0.001 0.000 0.193 220 N C 1.402 176.921 175.510 0.016 0.000 1.052 220 N CA 1.563 54.622 53.050 0.015 0.000 0.898 220 N CB -0.006 38.487 38.487 0.010 0.000 1.080 220 N HN 0.535 nan 8.380 nan 0.000 0.467 221 E N -0.274 119.933 120.200 0.012 0.000 2.307 221 E HA 0.158 4.508 4.350 -0.001 0.000 0.195 221 E C -0.014 176.590 176.600 0.006 0.000 0.975 221 E CA 0.022 56.428 56.400 0.010 0.000 0.878 221 E CB 0.550 30.255 29.700 0.009 0.000 0.845 221 E HN 0.272 nan 8.360 nan 0.000 0.488 222 R N 0.112 120.614 120.500 0.004 0.000 2.902 222 R HA 0.356 4.696 4.340 -0.001 0.000 0.258 222 R C -0.336 175.962 176.300 -0.004 0.000 1.071 222 R CA -0.794 55.302 56.100 -0.006 0.000 1.024 222 R CB 1.990 32.286 30.300 -0.005 0.000 1.184 222 R HN -0.142 nan 8.270 nan 0.000 0.492 223 V N 0.195 120.095 119.914 -0.023 0.000 2.843 223 V HA 0.064 4.184 4.120 -0.001 0.000 0.305 223 V C 0.866 176.951 176.094 -0.014 0.000 1.065 223 V CA 0.172 62.459 62.300 -0.022 0.000 1.116 223 V CB 0.743 32.515 31.823 -0.085 0.000 0.968 223 V HN 1.073 nan 8.190 nan 0.000 0.487 224 E N 1.718 121.919 120.200 0.002 0.000 2.653 224 E HA 0.561 4.911 4.350 -0.001 0.000 0.218 224 E C 0.279 176.886 176.600 0.011 0.000 0.911 224 E CA 0.346 56.747 56.400 0.001 0.000 1.355 224 E CB 1.186 30.888 29.700 0.003 0.000 1.314 224 E HN 0.972 nan 8.360 nan 0.000 0.686 225 A N 0.684 123.521 122.820 0.028 0.000 2.612 225 A HA 0.600 4.920 4.320 -0.001 0.000 0.293 225 A C -1.466 176.173 177.584 0.093 0.000 1.075 225 A CA -0.604 51.459 52.037 0.043 0.000 0.680 225 A CB 2.144 21.151 19.000 0.011 0.000 1.279 225 A HN 0.023 nan 8.150 nan 0.000 0.411 226 V N 1.311 121.294 119.914 0.115 0.000 2.448 226 V HA 0.504 4.624 4.120 -0.001 0.000 0.295 226 V C -0.004 176.104 176.094 0.023 0.000 1.025 226 V CA -0.432 61.968 62.300 0.167 0.000 0.859 226 V CB 1.528 33.491 31.823 0.233 0.000 0.988 226 V HN 0.930 nan 8.190 nan 0.000 0.431 227 E N 3.124 123.282 120.200 -0.069 0.000 2.175 227 E HA 0.634 4.984 4.350 -0.001 0.000 0.278 227 E C -0.338 176.168 176.600 -0.156 0.000 0.969 227 E CA -0.341 55.971 56.400 -0.146 0.000 0.796 227 E CB 1.674 31.292 29.700 -0.137 0.000 1.104 227 E HN 0.883 nan 8.360 nan 0.000 0.395 228 T N 0.336 114.816 114.554 -0.122 0.000 2.858 228 T HA 0.171 4.520 4.350 -0.001 0.000 0.285 228 T C 0.708 175.372 174.700 -0.059 0.000 1.052 228 T CA -0.434 61.627 62.100 -0.066 0.000 1.009 228 T CB 1.073 69.979 68.868 0.063 0.000 1.241 228 T HN 0.495 nan 8.240 nan 0.000 0.542 229 D N -0.528 119.857 120.400 -0.024 0.000 2.392 229 D HA 0.000 4.640 4.640 -0.001 0.000 0.228 229 D C 0.854 177.148 176.300 -0.010 0.000 1.003 229 D CA 0.530 54.520 54.000 -0.016 0.000 0.917 229 D CB -0.063 40.737 40.800 0.001 0.000 0.890 229 D HN 0.662 nan 8.370 nan 0.000 0.532 230 K N -1.072 119.327 120.400 -0.001 0.000 2.554 230 K HA 0.448 4.767 4.320 -0.001 0.000 0.211 230 K C 0.279 176.868 176.600 -0.018 0.000 1.226 230 K CA 0.084 56.380 56.287 0.015 0.000 1.025 230 K CB 2.142 34.678 32.500 0.061 0.000 1.021 230 K HN 0.192 nan 8.250 nan 0.000 0.600 231 G N -0.524 108.192 108.800 -0.142 0.000 2.313 231 G HA2 0.216 4.176 3.960 -0.001 0.000 0.296 231 G HA3 0.216 4.176 3.960 -0.001 0.000 0.296 231 G C -1.495 173.000 174.900 -0.675 0.000 1.356 231 G CA -0.672 44.195 45.100 -0.389 0.000 0.833 231 G HN -0.171 nan 8.290 nan 0.000 0.552 232 T N 0.605 114.668 114.554 -0.819 0.000 2.879 232 T HA 0.654 5.003 4.350 -0.001 0.000 0.290 232 T C -1.555 172.742 174.700 -0.672 0.000 0.993 232 T CA -0.196 61.527 62.100 -0.629 0.000 0.975 232 T CB 1.016 69.717 68.868 -0.279 0.000 0.981 232 T HN 0.452 nan 8.240 nan 0.000 0.439 233 Y N 1.061 121.356 120.300 -0.009 0.000 2.425 233 Y HA 0.507 5.057 4.550 -0.001 0.000 0.344 233 Y C 0.437 176.332 175.900 -0.009 0.000 0.969 233 Y CA -1.359 56.737 58.100 -0.007 0.000 1.052 233 Y CB 1.443 39.899 38.460 -0.006 0.000 1.215 233 Y HN 0.424 nan 8.280 nan 0.000 0.451 234 K N 2.211 122.688 120.400 0.128 0.000 2.484 234 K HA 0.523 4.843 4.320 -0.001 0.000 0.280 234 K C -0.832 175.799 176.600 0.051 0.000 1.013 234 K CA 0.193 56.518 56.287 0.063 0.000 1.029 234 K CB 0.182 32.707 32.500 0.041 0.000 0.902 234 K HN 0.877 nan 8.250 nan 0.000 0.481 235 A N 3.984 126.814 122.820 0.016 0.000 2.488 235 A HA 0.273 4.592 4.320 -0.001 0.000 0.295 235 A C -0.984 176.572 177.584 -0.047 0.000 1.045 235 A CA -0.821 51.200 52.037 -0.026 0.000 0.703 235 A CB 1.180 20.160 19.000 -0.033 0.000 1.271 235 A HN 0.826 nan 8.150 nan 0.000 0.400 236 D N 0.958 121.317 120.400 -0.068 0.000 2.369 236 D HA 0.244 4.884 4.640 -0.001 0.000 0.211 236 D C -0.192 176.062 176.300 -0.076 0.000 1.077 236 D CA 0.612 54.576 54.000 -0.059 0.000 0.842 236 D CB 0.967 41.739 40.800 -0.047 0.000 0.947 236 D HN 0.377 nan 8.370 nan 0.000 0.509 237 L N 0.672 121.822 121.223 -0.123 0.000 2.641 237 L HA 0.275 4.614 4.340 -0.001 0.000 0.261 237 L C -1.958 174.800 176.870 -0.186 0.000 0.926 237 L CA -0.549 54.216 54.840 -0.125 0.000 0.917 237 L CB 2.270 44.218 42.059 -0.186 0.000 1.361 237 L HN -0.365 nan 8.230 nan 0.000 0.417 238 V N 4.927 124.743 119.914 -0.163 0.000 2.487 238 V HA 0.459 4.579 4.120 -0.001 0.000 0.298 238 V C -0.535 175.510 176.094 -0.081 0.000 1.028 238 V CA -0.538 61.631 62.300 -0.219 0.000 0.860 238 V CB 1.882 33.401 31.823 -0.506 0.000 0.991 238 V HN 0.543 nan 8.190 nan 0.000 0.427 239 L N 6.499 127.721 121.223 -0.001 0.000 2.272 239 L HA 0.636 4.976 4.340 -0.001 0.000 0.289 239 L C -0.418 176.527 176.870 0.126 0.000 1.032 239 L CA 0.105 55.018 54.840 0.122 0.000 0.810 239 L CB 1.605 43.802 42.059 0.230 0.000 1.205 239 L HN 0.453 nan 8.230 nan 0.000 0.422 240 V N 4.398 124.409 119.914 0.162 0.000 2.364 240 V HA 0.440 4.560 4.120 -0.001 0.000 0.272 240 V C 0.303 176.515 176.094 0.197 0.000 1.036 240 V CA -0.192 62.251 62.300 0.238 0.000 0.880 240 V CB 1.131 33.166 31.823 0.352 0.000 0.991 240 V HN 0.832 nan 8.190 nan 0.000 0.460 241 S N 3.579 119.393 115.700 0.190 0.000 2.204 241 S HA 0.279 4.748 4.470 -0.001 0.000 0.147 241 S C 0.260 174.947 174.600 0.145 0.000 1.711 241 S CA -0.193 58.090 58.200 0.138 0.000 1.274 241 S CB 0.791 64.049 63.200 0.097 0.000 1.257 241 S HN 0.756 nan 8.310 nan 0.000 0.404 242 V N 0.070 120.090 119.914 0.177 0.000 3.528 242 V HA 0.817 4.936 4.120 -0.001 0.000 0.294 242 V C 0.701 176.928 176.094 0.223 0.000 1.404 242 V CA 0.459 62.894 62.300 0.224 0.000 1.065 242 V CB -0.005 31.976 31.823 0.264 0.000 0.904 242 V HN 0.780 nan 8.190 nan 0.000 0.435 243 G N -0.143 108.742 108.800 0.141 0.000 2.350 243 G HA2 0.494 4.453 3.960 -0.001 0.000 0.304 243 G HA3 0.494 4.453 3.960 -0.001 0.000 0.304 243 G C -1.291 173.666 174.900 0.096 0.000 1.421 243 G CA 0.065 45.246 45.100 0.134 0.000 0.934 243 G HN 1.334 nan 8.290 nan 0.000 0.632 244 V N -2.521 117.453 119.914 0.101 0.000 3.040 244 V HA 0.957 5.076 4.120 -0.001 0.000 0.312 244 V C -0.454 175.699 176.094 0.098 0.000 1.115 244 V CA -1.230 61.127 62.300 0.095 0.000 0.998 244 V CB 2.191 34.074 31.823 0.100 0.000 1.042 244 V HN 0.995 nan 8.190 nan 0.000 0.433 245 K N 2.368 122.816 120.400 0.080 0.000 2.471 245 K HA 0.588 4.907 4.320 -0.001 0.000 0.252 245 K C -3.027 173.605 176.600 0.054 0.000 0.938 245 K CA -2.112 54.206 56.287 0.051 0.000 0.796 245 K CB 2.768 35.282 32.500 0.023 0.000 1.161 245 K HN 0.545 nan 8.250 nan 0.000 0.425 246 P HA -0.004 nan 4.420 nan 0.000 0.265 246 P C -0.807 176.518 177.300 0.042 0.000 1.193 246 P CA -0.068 63.048 63.100 0.026 0.000 0.765 246 P CB 0.369 32.027 31.700 -0.069 0.000 0.823 247 N N 2.072 120.824 118.700 0.086 0.000 3.103 247 N HA 0.029 4.768 4.740 -0.001 0.000 0.305 247 N C 0.542 176.183 175.510 0.218 0.000 1.232 247 N CA 0.403 53.536 53.050 0.139 0.000 1.190 247 N CB -0.398 38.172 38.487 0.138 0.000 1.461 247 N HN 0.453 nan 8.380 nan 0.000 0.538 248 T N -4.472 110.135 114.554 0.088 0.000 3.111 248 T HA 0.154 4.503 4.350 -0.001 0.000 0.284 248 T C 0.776 175.373 174.700 -0.171 0.000 0.983 248 T CA -0.341 61.703 62.100 -0.093 0.000 0.900 248 T CB 0.410 69.193 68.868 -0.142 0.000 1.132 248 T HN -0.142 nan 8.240 nan 0.000 0.531 249 D N 1.953 122.361 120.400 0.015 0.000 2.219 249 D HA 0.009 4.649 4.640 -0.001 0.000 0.205 249 D C 1.567 177.880 176.300 0.023 0.000 0.970 249 D CA 0.716 54.718 54.000 0.003 0.000 0.851 249 D CB -0.417 40.410 40.800 0.045 0.000 0.943 249 D HN 0.703 nan 8.370 nan 0.000 0.488 250 F N -0.170 119.784 119.950 0.006 0.000 2.408 250 F HA -0.018 4.508 4.527 -0.001 0.000 0.300 250 F C 1.612 177.428 175.800 0.027 0.000 1.090 250 F CA 0.563 58.576 58.000 0.021 0.000 1.427 250 F CB -0.708 38.313 39.000 0.035 0.000 1.070 250 F HN -0.120 nan 8.300 nan 0.000 0.549 251 L N 0.151 121.013 121.223 -0.601 0.000 2.591 251 L HA 0.095 4.435 4.340 -0.001 0.000 0.228 251 L C 0.665 177.421 176.870 -0.189 0.000 1.133 251 L CA -0.053 54.517 54.840 -0.449 0.000 0.880 251 L CB -0.676 41.041 42.059 -0.570 0.000 1.033 251 L HN 0.014 nan 8.230 nan 0.000 0.450 252 E N 0.886 121.010 120.200 -0.126 0.000 2.529 252 E HA 0.161 4.510 4.350 -0.001 0.000 0.259 252 E C 1.128 177.705 176.600 -0.038 0.000 0.966 252 E CA 1.054 57.413 56.400 -0.070 0.000 0.937 252 E CB 0.321 29.995 29.700 -0.043 0.000 0.923 252 E HN 0.304 nan 8.360 nan 0.000 0.468 253 G N 2.676 111.456 108.800 -0.034 0.000 2.175 253 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.244 253 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.244 253 G C 0.917 175.813 174.900 -0.007 0.000 0.982 253 G CA 0.801 45.892 45.100 -0.014 0.000 0.641 253 G HN 0.723 nan 8.290 nan 0.000 0.527 254 T N -2.396 112.145 114.554 -0.022 0.000 3.057 254 T HA 0.245 4.595 4.350 -0.001 0.000 0.254 254 T C 1.232 175.924 174.700 -0.014 0.000 1.094 254 T CA 1.052 63.148 62.100 -0.008 0.000 1.088 254 T CB 0.048 68.903 68.868 -0.023 0.000 0.934 254 T HN 1.392 nan 8.240 nan 0.000 0.497 255 N N -0.145 118.537 118.700 -0.030 0.000 2.965 255 N HA -0.164 4.576 4.740 -0.001 0.000 0.232 255 N C -0.649 174.835 175.510 -0.043 0.000 0.913 255 N CA 0.574 53.606 53.050 -0.031 0.000 0.981 255 N CB -2.280 36.197 38.487 -0.016 0.000 1.077 255 N HN 0.690 nan 8.380 nan 0.000 0.589 256 I N 1.947 122.482 120.570 -0.057 0.000 2.587 256 I HA -0.007 4.162 4.170 -0.001 0.000 0.284 256 I C 1.082 177.150 176.117 -0.081 0.000 1.134 256 I CA 0.162 61.419 61.300 -0.072 0.000 1.410 256 I CB 0.301 38.245 38.000 -0.092 0.000 1.392 256 I HN 0.094 nan 8.210 nan 0.000 0.545 257 R N 4.148 124.603 120.500 -0.075 0.000 2.543 257 R HA 0.391 4.730 4.340 -0.001 0.000 0.277 257 R C -0.224 176.024 176.300 -0.087 0.000 1.074 257 R CA 0.066 56.121 56.100 -0.074 0.000 1.076 257 R CB 0.868 31.127 30.300 -0.069 0.000 0.993 257 R HN 0.526 nan 8.270 nan 0.000 0.459 258 T N 1.993 116.497 114.554 -0.083 0.000 2.909 258 T HA 0.198 4.547 4.350 -0.001 0.000 0.299 258 T C -0.609 174.047 174.700 -0.073 0.000 1.073 258 T CA -0.954 61.089 62.100 -0.095 0.000 0.999 258 T CB 1.208 70.011 68.868 -0.109 0.000 1.098 258 T HN 0.704 nan 8.240 nan 0.000 0.477 259 N N 1.017 119.672 118.700 -0.075 0.000 2.322 259 N HA 0.095 4.835 4.740 -0.001 0.000 0.270 259 N C 1.009 176.512 175.510 -0.012 0.000 1.286 259 N CA -0.002 53.031 53.050 -0.028 0.000 0.948 259 N CB -0.089 38.389 38.487 -0.015 0.000 1.164 259 N HN 0.741 nan 8.380 nan 0.000 0.551 260 H N -0.921 118.119 119.070 -0.050 0.000 2.422 260 H HA -0.094 4.462 4.556 -0.001 0.000 0.298 260 H C 1.370 176.666 175.328 -0.053 0.000 1.098 260 H CA 2.456 58.479 56.048 -0.042 0.000 1.315 260 H CB 0.216 29.964 29.762 -0.024 0.000 1.382 260 H HN 0.729 nan 8.280 nan 0.000 0.523 261 K N -1.369 118.993 120.400 -0.064 0.000 2.444 261 K HA 0.177 4.496 4.320 -0.001 0.000 0.193 261 K C 1.005 177.505 176.600 -0.167 0.000 1.024 261 K CA 0.649 56.864 56.287 -0.119 0.000 1.077 261 K CB 0.589 33.059 32.500 -0.050 0.000 0.833 261 K HN 0.371 nan 8.250 nan 0.000 0.517 262 G N 0.560 109.256 108.800 -0.174 0.000 2.163 262 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.213 262 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.213 262 G C 0.158 174.948 174.900 -0.183 0.000 0.991 262 G CA -0.162 44.841 45.100 -0.163 0.000 0.653 262 G HN 0.628 nan 8.290 nan 0.000 0.518 263 A N 0.334 123.000 122.820 -0.256 0.000 2.401 263 A HA 0.703 5.022 4.320 -0.001 0.000 0.259 263 A C 0.639 178.119 177.584 -0.173 0.000 1.103 263 A CA -0.203 51.663 52.037 -0.286 0.000 0.789 263 A CB 0.235 18.901 19.000 -0.556 0.000 1.035 263 A HN 0.763 nan 8.150 nan 0.000 0.491 264 I N 2.713 123.203 120.570 -0.132 0.000 2.533 264 I HA 0.039 4.209 4.170 -0.001 0.000 0.284 264 I C 0.422 176.483 176.117 -0.093 0.000 1.109 264 I CA 0.015 61.251 61.300 -0.106 0.000 1.412 264 I CB 0.492 38.439 38.000 -0.088 0.000 1.396 264 I HN 0.585 nan 8.210 nan 0.000 0.543 265 E N 6.236 126.378 120.200 -0.097 0.000 2.360 265 E HA 0.245 4.595 4.350 -0.001 0.000 0.269 265 E C -0.492 176.044 176.600 -0.106 0.000 1.022 265 E CA -0.136 56.196 56.400 -0.113 0.000 0.887 265 E CB 1.621 31.234 29.700 -0.144 0.000 0.990 265 E HN 0.422 nan 8.360 nan 0.000 0.426 266 V N 0.511 120.372 119.914 -0.087 0.000 2.735 266 V HA 0.459 4.578 4.120 -0.001 0.000 0.310 266 V C 0.036 176.108 176.094 -0.037 0.000 1.061 266 V CA -1.238 61.037 62.300 -0.042 0.000 0.913 266 V CB 1.804 33.636 31.823 0.015 0.000 1.005 266 V HN 0.642 nan 8.190 nan 0.000 0.428 267 N N 3.904 122.580 118.700 -0.040 0.000 2.381 267 N HA 0.444 5.184 4.740 -0.001 0.000 0.289 267 N C 1.250 176.748 175.510 -0.020 0.000 1.288 267 N CA 0.142 53.172 53.050 -0.033 0.000 0.960 267 N CB 0.391 38.843 38.487 -0.057 0.000 1.116 267 N HN 0.956 nan 8.380 nan 0.000 0.557 268 A N -1.772 120.907 122.820 -0.236 0.000 2.076 268 A HA -0.026 4.294 4.320 -0.001 0.000 0.220 268 A C 0.263 177.628 177.584 -0.364 0.000 1.160 268 A CA 0.955 52.743 52.037 -0.415 0.000 0.653 268 A CB -0.930 17.577 19.000 -0.822 0.000 0.801 268 A HN 0.607 nan 8.150 nan 0.000 0.455 272 T N -1.740 112.684 114.554 -0.216 0.000 2.729 272 T HA 0.159 4.509 4.350 -0.001 0.000 0.298 272 T C 1.126 175.753 174.700 -0.122 0.000 1.013 272 T CA 0.043 62.062 62.100 -0.135 0.000 0.957 272 T CB 0.340 69.144 68.868 -0.108 0.000 1.130 272 T HN 0.771 nan 8.240 nan 0.000 0.526 273 N N -0.464 118.182 118.700 -0.090 0.000 2.515 273 N HA -0.026 4.714 4.740 -0.001 0.000 0.185 273 N C -0.034 175.442 175.510 -0.056 0.000 1.109 273 N CA 0.048 53.056 53.050 -0.070 0.000 0.903 273 N CB -0.340 38.112 38.487 -0.058 0.000 0.969 273 N HN 0.373 nan 8.380 nan 0.000 0.450 274 V N 1.734 121.612 119.914 -0.059 0.000 2.370 274 V HA 0.095 4.214 4.120 -0.001 0.000 0.279 274 V C 0.261 176.338 176.094 -0.028 0.000 1.029 274 V CA -0.846 61.438 62.300 -0.027 0.000 0.870 274 V CB 1.322 33.141 31.823 -0.006 0.000 0.984 274 V HN 0.177 nan 8.190 nan 0.000 0.451 275 Q N 4.196 123.994 119.800 -0.002 0.000 2.304 275 Q HA -0.080 4.259 4.340 -0.001 0.000 0.315 275 Q C 0.578 176.619 176.000 0.068 0.000 1.075 275 Q CA 1.194 57.005 55.803 0.014 0.000 0.988 275 Q CB -0.097 28.658 28.738 0.030 0.000 1.146 275 Q HN 0.763 nan 8.270 nan 0.000 0.383 276 D N 1.203 121.645 120.400 0.070 0.000 3.077 276 D HA -0.163 4.477 4.640 -0.001 0.000 0.217 276 D C -1.043 175.416 176.300 0.266 0.000 1.162 276 D CA 1.040 55.179 54.000 0.232 0.000 0.943 276 D CB -1.439 39.533 40.800 0.287 0.000 1.122 276 D HN 0.290 nan 8.370 nan 0.000 0.413 277 V N 0.819 120.765 119.914 0.053 0.000 2.459 277 V HA 0.493 4.612 4.120 -0.001 0.000 0.295 277 V C 0.014 176.050 176.094 -0.098 0.000 1.029 277 V CA -0.628 61.694 62.300 0.038 0.000 0.874 277 V CB 1.438 33.257 31.823 -0.007 0.000 0.985 277 V HN -0.048 nan 8.190 nan 0.000 0.438 278 Y N 1.948 122.234 120.300 -0.023 0.000 2.630 278 Y HA 0.891 5.441 4.550 -0.001 0.000 0.337 278 Y C 0.341 176.226 175.900 -0.025 0.000 1.051 278 Y CA -0.781 57.315 58.100 -0.007 0.000 1.121 278 Y CB 2.159 40.624 38.460 0.009 0.000 1.299 278 Y HN 0.763 nan 8.280 nan 0.000 0.498 279 A N 0.452 123.351 122.820 0.131 0.000 2.587 279 A HA 0.985 5.304 4.320 -0.001 0.000 0.293 279 A C -1.722 175.887 177.584 0.041 0.000 1.087 279 A CA -0.233 51.839 52.037 0.058 0.000 0.692 279 A CB 1.479 20.484 19.000 0.008 0.000 1.291 279 A HN 1.319 nan 8.150 nan 0.000 0.407 280 A N -0.269 122.563 122.820 0.019 0.000 2.594 280 A HA 0.958 5.277 4.320 -0.001 0.000 0.296 280 A C 0.355 177.952 177.584 0.021 0.000 1.056 280 A CA 0.509 52.543 52.037 -0.005 0.000 0.693 280 A CB 0.419 19.408 19.000 -0.019 0.000 1.278 280 A HN 2.979 nan 8.150 nan 0.000 0.408 281 G N 1.110 109.941 108.800 0.051 0.000 2.508 281 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.220 281 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.220 281 G C 0.148 175.187 174.900 0.232 0.000 1.287 281 G CA 0.681 45.837 45.100 0.094 0.000 0.916 281 G HN 0.917 nan 8.290 nan 0.000 0.574 282 D N -0.036 120.459 120.400 0.159 0.000 2.263 282 D HA -0.078 4.562 4.640 -0.001 0.000 0.208 282 D C 2.520 178.997 176.300 0.295 0.000 0.971 282 D CA 1.998 56.128 54.000 0.218 0.000 0.867 282 D CB -0.549 40.322 40.800 0.118 0.000 0.929 282 D HN 0.940 nan 8.370 nan 0.000 0.492 283 C N -0.530 118.868 119.300 0.162 0.000 2.562 283 C HA 0.646 5.105 4.460 -0.001 0.000 0.266 283 C C 1.204 176.208 174.990 0.024 0.000 1.382 283 C CA -0.553 58.523 59.018 0.097 0.000 1.742 283 C CB -1.041 26.739 27.740 0.068 0.000 1.812 283 C HN 0.119 nan 8.230 nan 0.000 0.559 284 A N 1.274 124.106 122.820 0.019 0.000 2.313 284 A HA 0.730 5.050 4.320 -0.001 0.000 0.323 284 A C 0.379 177.796 177.584 -0.278 0.000 1.133 284 A CA 0.391 52.373 52.037 -0.093 0.000 0.847 284 A CB 0.359 19.323 19.000 -0.059 0.000 1.308 284 A HN 0.660 nan 8.150 nan 0.000 0.475 285 T N -1.655 112.776 114.554 -0.205 0.000 2.849 285 T HA 0.573 4.923 4.350 -0.001 0.000 0.284 285 T C -0.522 174.065 174.700 -0.188 0.000 1.004 285 T CA -0.089 61.902 62.100 -0.181 0.000 1.021 285 T CB 0.321 69.244 68.868 0.092 0.000 1.013 285 T HN 0.600 nan 8.240 nan 0.000 0.527 286 H N -0.176 119.046 119.070 0.253 0.000 2.970 286 H HA 0.306 4.862 4.556 -0.001 0.000 0.315 286 H C -1.215 174.200 175.328 0.145 0.000 0.992 286 H CA -0.858 55.317 56.048 0.211 0.000 1.363 286 H CB 0.586 30.439 29.762 0.152 0.000 1.532 286 H HN 0.720 nan 8.280 nan 0.000 0.514 287 Y N 3.732 124.044 120.300 0.020 0.000 2.712 287 Y HA -0.017 4.532 4.550 -0.001 0.000 0.333 287 Y C -0.216 175.673 175.900 -0.018 0.000 1.225 287 Y CA 0.344 58.255 58.100 -0.314 0.000 1.499 287 Y CB 0.272 38.469 38.460 -0.438 0.000 1.288 287 Y HN 0.623 nan 8.280 nan 0.000 0.575 288 H N 6.429 124.969 119.070 -0.883 0.000 2.504 288 H HA 0.233 4.788 4.556 -0.001 0.000 0.322 288 H C 0.590 175.451 175.328 -0.779 0.000 1.055 288 H CA -0.304 55.401 56.048 -0.572 0.000 1.231 288 H CB 1.701 31.274 29.762 -0.315 0.000 1.417 288 H HN 0.773 nan 8.280 nan 0.000 0.472 289 V N 5.665 125.357 119.914 -0.371 0.000 2.392 289 V HA -0.249 3.871 4.120 -0.001 0.000 0.249 289 V C 2.032 178.090 176.094 -0.061 0.000 1.059 289 V CA 1.508 63.691 62.300 -0.194 0.000 1.051 289 V CB -0.306 31.434 31.823 -0.139 0.000 0.658 289 V HN 0.687 nan 8.190 nan 0.000 0.455 290 I N -0.807 119.849 120.570 0.144 0.000 2.810 290 I HA 0.013 4.182 4.170 -0.001 0.000 0.262 290 I C 2.227 178.307 176.117 -0.061 0.000 1.131 290 I CA 0.980 62.316 61.300 0.060 0.000 1.453 290 I CB -1.034 37.023 38.000 0.094 0.000 1.161 290 I HN 0.278 nan 8.210 nan 0.000 0.444 291 K N 1.226 121.503 120.400 -0.204 0.000 2.148 291 K HA -0.081 4.239 4.320 -0.001 0.000 0.204 291 K C 0.150 176.655 176.600 -0.157 0.000 1.050 291 K CA 0.579 56.695 56.287 -0.284 0.000 0.942 291 K CB 0.025 32.233 32.500 -0.487 0.000 0.724 291 K HN 0.268 nan 8.250 nan 0.000 0.446 292 E N -0.396 119.678 120.200 -0.209 0.000 2.637 292 E HA -0.236 4.113 4.350 -0.001 0.000 0.265 292 E C -0.642 175.972 176.600 0.023 0.000 1.073 292 E CA 0.358 56.692 56.400 -0.109 0.000 0.778 292 E CB -1.415 28.314 29.700 0.049 0.000 1.362 292 E HN 0.203 nan 8.360 nan 0.000 0.413 293 I N -0.560 119.959 120.570 -0.085 0.000 3.042 293 I HA 0.258 4.428 4.170 -0.001 0.000 0.310 293 I C -0.252 175.913 176.117 0.080 0.000 1.117 293 I CA -0.922 60.427 61.300 0.083 0.000 1.003 293 I CB 1.519 39.539 38.000 0.035 0.000 1.228 293 I HN -0.018 nan 8.210 nan 0.000 0.443 294 H N 2.931 122.090 119.070 0.148 0.000 2.846 294 H HA 0.298 4.854 4.556 -0.001 0.000 0.278 294 H C -0.573 174.830 175.328 0.125 0.000 1.117 294 H CA 0.066 56.217 56.048 0.172 0.000 1.406 294 H CB 0.161 30.016 29.762 0.155 0.000 1.445 294 H HN 0.332 nan 8.280 nan 0.000 0.469 295 D N 0.526 121.046 120.400 0.199 0.000 2.511 295 D HA 0.098 4.738 4.640 -0.001 0.000 0.276 295 D C -0.478 175.985 176.300 0.272 0.000 1.220 295 D CA -0.383 53.740 54.000 0.204 0.000 1.077 295 D CB 0.928 41.858 40.800 0.216 0.000 1.126 295 D HN 0.617 nan 8.370 nan 0.000 0.583 296 H N 0.628 119.796 119.070 0.164 0.000 3.092 296 H HA 0.357 4.912 4.556 -0.001 0.000 0.308 296 H C -1.030 174.461 175.328 0.272 0.000 1.047 296 H CA -0.361 55.806 56.048 0.197 0.000 1.466 296 H CB 0.121 29.928 29.762 0.075 0.000 1.597 296 H HN 0.212 nan 8.280 nan 0.000 0.512 297 I N 7.845 128.526 120.570 0.185 0.000 2.698 297 I HA 0.192 4.362 4.170 -0.001 0.000 0.276 297 I C -2.499 173.464 176.117 -0.256 0.000 1.166 297 I CA -1.750 59.508 61.300 -0.071 0.000 1.101 297 I CB 1.628 39.605 38.000 -0.038 0.000 1.305 297 I HN 0.340 nan 8.210 nan 0.000 0.526 298 P HA 0.324 nan 4.420 nan 0.000 0.275 298 P C -0.656 176.543 177.300 -0.168 0.000 1.276 298 P CA 0.277 63.248 63.100 -0.214 0.000 0.782 298 P CB 0.579 32.173 31.700 -0.177 0.000 0.851 299 I N -1.266 119.190 120.570 -0.190 0.000 3.102 299 I HA 0.599 4.769 4.170 -0.001 0.000 0.310 299 I C 1.202 177.249 176.117 -0.116 0.000 1.246 299 I CA -1.268 59.955 61.300 -0.128 0.000 0.979 299 I CB 1.399 39.327 38.000 -0.119 0.000 1.267 299 I HN 0.147 nan 8.210 nan 0.000 0.451 300 G N 0.626 109.375 108.800 -0.085 0.000 2.448 300 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.218 300 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.218 300 G C 1.273 176.131 174.900 -0.069 0.000 1.135 300 G CA 1.431 46.485 45.100 -0.077 0.000 0.784 300 G HN 0.858 nan 8.290 nan 0.000 0.543 301 T N -0.897 113.616 114.554 -0.068 0.000 2.701 301 T HA -0.138 4.211 4.350 -0.001 0.000 0.263 301 T C 2.338 177.013 174.700 -0.042 0.000 1.040 301 T CA 1.976 64.044 62.100 -0.053 0.000 1.147 301 T CB -1.013 67.822 68.868 -0.055 0.000 0.865 301 T HN 0.118 nan 8.240 nan 0.000 0.426 302 T N 2.347 116.860 114.554 -0.070 0.000 2.737 302 T HA -0.012 4.337 4.350 -0.001 0.000 0.269 302 T C 2.430 177.081 174.700 -0.082 0.000 1.040 302 T CA 1.380 63.441 62.100 -0.066 0.000 1.142 302 T CB -0.842 67.889 68.868 -0.228 0.000 0.861 302 T HN 0.609 nan 8.240 nan 0.000 0.456 303 A N 2.225 124.991 122.820 -0.089 0.000 1.902 303 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 303 A C 2.335 179.890 177.584 -0.048 0.000 1.181 303 A CA 1.368 53.369 52.037 -0.060 0.000 0.623 303 A CB -0.548 18.419 19.000 -0.056 0.000 0.818 303 A HN 0.400 nan 8.150 nan 0.000 0.443 304 N N 0.036 118.711 118.700 -0.041 0.000 2.106 304 N HA -0.124 4.616 4.740 -0.001 0.000 0.188 304 N C 1.675 177.179 175.510 -0.009 0.000 1.029 304 N CA 1.487 54.520 53.050 -0.028 0.000 0.848 304 N CB -0.308 38.163 38.487 -0.027 0.000 1.007 304 N HN 0.544 nan 8.380 nan 0.000 0.423 305 K N 1.086 121.497 120.400 0.017 0.000 2.032 305 K HA -0.131 4.189 4.320 -0.001 0.000 0.209 305 K C 2.093 178.725 176.600 0.053 0.000 1.048 305 K CA 1.155 57.489 56.287 0.078 0.000 0.927 305 K CB -0.125 32.487 32.500 0.187 0.000 0.712 305 K HN 0.314 nan 8.250 nan 0.000 0.441 306 Q N -0.321 119.444 119.800 -0.058 0.000 2.123 306 Q HA -0.071 4.269 4.340 -0.001 0.000 0.199 306 Q C 2.314 178.272 176.000 -0.070 0.000 0.966 306 Q CA 1.220 56.919 55.803 -0.173 0.000 0.845 306 Q CB -0.085 28.475 28.738 -0.298 0.000 0.907 306 Q HN 0.472 nan 8.270 nan 0.000 0.439 307 G N 1.234 110.004 108.800 -0.051 0.000 2.421 307 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.216 307 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.216 307 G C 1.385 176.260 174.900 -0.042 0.000 1.171 307 G CA 0.827 45.900 45.100 -0.045 0.000 0.775 307 G HN 0.223 nan 8.290 nan 0.000 0.543 308 R N 0.017 120.501 120.500 -0.026 0.000 2.083 308 R HA 0.029 4.369 4.340 -0.001 0.000 0.237 308 R C 2.544 178.842 176.300 -0.003 0.000 1.137 308 R CA 1.258 57.346 56.100 -0.020 0.000 0.951 308 R CB -0.431 29.866 30.300 -0.005 0.000 0.851 308 R HN 0.382 nan 8.270 nan 0.000 0.434 309 L N 0.195 121.439 121.223 0.034 0.000 2.083 309 L HA -0.130 4.210 4.340 -0.001 0.000 0.209 309 L C 2.706 179.611 176.870 0.059 0.000 1.083 309 L CA 1.249 56.135 54.840 0.077 0.000 0.752 309 L CB -0.553 41.594 42.059 0.146 0.000 0.899 309 L HN 0.387 nan 8.230 nan 0.000 0.433 310 A N 0.222 123.055 122.820 0.021 0.000 1.898 310 A HA -0.087 4.232 4.320 -0.001 0.000 0.216 310 A C 2.401 179.909 177.584 -0.127 0.000 1.181 310 A CA 1.593 53.632 52.037 0.003 0.000 0.620 310 A CB -1.126 17.880 19.000 0.009 0.000 0.819 310 A HN 0.428 nan 8.150 nan 0.000 0.442 311 G N -0.056 108.669 108.800 -0.125 0.000 2.421 311 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.216 311 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.216 311 G C 1.570 176.375 174.900 -0.158 0.000 1.171 311 G CA 1.045 46.035 45.100 -0.185 0.000 0.775 311 G HN 0.415 nan 8.290 nan 0.000 0.543 312 L N 0.381 121.555 121.223 -0.081 0.000 2.012 312 L HA -0.038 4.302 4.340 -0.001 0.000 0.210 312 L C 1.683 178.536 176.870 -0.028 0.000 1.073 312 L CA 0.496 55.310 54.840 -0.043 0.000 0.748 312 L CB -0.535 41.526 42.059 0.004 0.000 0.891 312 L HN 0.163 nan 8.230 nan 0.000 0.431 316 D N 0.936 121.354 120.400 0.030 0.000 2.945 316 D HA -0.177 4.463 4.640 -0.001 0.000 0.225 316 D C 0.282 176.579 176.300 -0.005 0.000 1.158 316 D CA 1.031 55.041 54.000 0.016 0.000 0.805 316 D CB -0.729 40.086 40.800 0.025 0.000 1.098 316 D HN 0.390 nan 8.370 nan 0.000 0.426 317 K N 0.753 121.150 120.400 -0.004 0.000 2.180 317 K HA 0.204 4.523 4.320 -0.001 0.000 0.250 317 K C 0.419 177.020 176.600 0.000 0.000 1.135 317 K CA -0.699 55.585 56.287 -0.003 0.000 1.037 317 K CB 0.616 33.115 32.500 -0.002 0.000 1.624 317 K HN -0.071 nan 8.250 nan 0.000 0.382 318 R N 2.817 123.296 120.500 -0.034 0.000 2.484 318 R HA 0.091 4.431 4.340 -0.001 0.000 0.293 318 R C -0.664 175.656 176.300 0.033 0.000 1.023 318 R CA 0.594 56.640 56.100 -0.090 0.000 1.037 318 R CB 0.196 30.371 30.300 -0.209 0.000 0.951 318 R HN 0.450 nan 8.270 nan 0.000 0.418 319 R N 2.839 123.444 120.500 0.175 0.000 2.522 319 R HA 0.472 4.812 4.340 -0.001 0.000 0.273 319 R C -1.516 175.022 176.300 0.396 0.000 1.133 319 R CA -0.458 55.791 56.100 0.248 0.000 0.969 319 R CB 1.358 31.753 30.300 0.157 0.000 1.235 319 R HN 0.750 nan 8.270 nan 0.000 0.433 320 A N 3.884 126.910 122.820 0.343 0.000 2.354 320 A HA 0.349 4.669 4.320 -0.001 0.000 0.269 320 A C -0.719 176.963 177.584 0.165 0.000 1.109 320 A CA -0.319 51.807 52.037 0.147 0.000 0.800 320 A CB 0.230 19.223 19.000 -0.012 0.000 1.045 320 A HN 0.592 nan 8.150 nan 0.000 0.489 321 F N 2.414 122.362 119.950 -0.002 0.000 2.472 321 F HA 0.331 4.858 4.527 -0.001 0.000 0.364 321 F C 1.031 176.854 175.800 0.038 0.000 1.090 321 F CA -0.533 57.491 58.000 0.040 0.000 1.188 321 F CB 0.918 39.950 39.000 0.054 0.000 1.105 321 F HN 0.551 nan 8.300 nan 0.000 0.536 322 K N 4.150 124.292 120.400 -0.431 0.000 2.296 322 K HA 0.298 4.618 4.320 -0.001 0.000 0.200 322 K C 0.815 177.192 176.600 -0.371 0.000 1.048 322 K CA 0.780 56.901 56.287 -0.277 0.000 0.966 322 K CB -0.658 31.849 32.500 0.013 0.000 0.754 322 K HN 0.943 nan 8.250 nan 0.000 0.466 323 G N -0.096 108.057 108.800 -1.078 0.000 2.381 323 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.672 323 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.672 323 G C -0.976 173.644 174.900 -0.466 0.000 1.324 323 G CA -0.392 44.321 45.100 -0.645 0.000 0.975 323 G HN 0.027 nan 8.290 nan 0.000 0.593 324 T N -0.805 113.628 114.554 -0.201 0.000 2.945 324 T HA 0.670 5.020 4.350 -0.001 0.000 0.286 324 T C 1.335 175.764 174.700 -0.451 0.000 1.025 324 T CA -0.407 61.575 62.100 -0.197 0.000 1.039 324 T CB 1.066 69.870 68.868 -0.107 0.000 1.068 324 T HN 0.727 nan 8.240 nan 0.000 0.497 325 L N 2.482 123.492 121.223 -0.357 0.000 2.664 325 L HA 0.360 4.700 4.340 -0.001 0.000 0.233 325 L C 1.794 178.468 176.870 -0.327 0.000 1.113 325 L CA 0.100 54.708 54.840 -0.387 0.000 0.896 325 L CB 0.143 42.121 42.059 -0.134 0.000 1.163 325 L HN 1.013 nan 8.230 nan 0.000 0.497 326 G N 0.775 109.416 108.800 -0.265 0.000 2.147 326 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.244 326 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.244 326 G C 0.280 175.128 174.900 -0.085 0.000 1.005 326 G CA 0.287 45.329 45.100 -0.097 0.000 0.713 326 G HN 0.246 nan 8.290 nan 0.000 0.515 327 T N 0.489 114.986 114.554 -0.096 0.000 2.928 327 T HA 0.516 4.865 4.350 -0.001 0.000 0.305 327 T C 0.732 175.392 174.700 -0.068 0.000 1.035 327 T CA 0.850 62.907 62.100 -0.073 0.000 1.145 327 T CB 1.646 70.475 68.868 -0.065 0.000 0.963 327 T HN 1.469 nan 8.240 nan 0.000 0.545 328 G N 1.664 110.432 108.800 -0.054 0.000 2.746 328 G HA2 0.636 4.596 3.960 -0.001 0.000 0.297 328 G HA3 0.636 4.596 3.960 -0.001 0.000 0.297 328 G C -1.699 173.208 174.900 0.013 0.000 1.426 328 G CA -0.594 44.486 45.100 -0.034 0.000 0.989 328 G HN 0.809 nan 8.290 nan 0.000 0.520 329 I N 1.209 121.797 120.570 0.031 0.000 2.619 329 I HA 0.739 4.908 4.170 -0.001 0.000 0.292 329 I C -1.322 174.840 176.117 0.075 0.000 1.100 329 I CA -1.344 59.994 61.300 0.064 0.000 1.043 329 I CB 2.037 40.061 38.000 0.040 0.000 1.239 329 I HN 0.394 nan 8.210 nan 0.000 0.420 330 I N 6.668 127.298 120.570 0.100 0.000 2.533 330 I HA 0.368 4.538 4.170 -0.001 0.000 0.290 330 I C -0.684 175.504 176.117 0.118 0.000 1.056 330 I CA -0.730 60.632 61.300 0.105 0.000 1.057 330 I CB 2.000 40.056 38.000 0.093 0.000 1.240 330 I HN 0.443 nan 8.210 nan 0.000 0.423 331 K N 5.783 126.266 120.400 0.139 0.000 2.312 331 K HA 0.418 4.738 4.320 -0.001 0.000 0.287 331 K C -1.476 175.252 176.600 0.214 0.000 1.062 331 K CA -0.073 56.298 56.287 0.141 0.000 0.934 331 K CB 0.796 33.372 32.500 0.126 0.000 1.027 331 K HN 0.465 nan 8.250 nan 0.000 0.478 335 L N 1.316 122.527 121.223 -0.021 0.000 2.344 335 L HA 0.572 4.911 4.340 -0.001 0.000 0.272 335 L C -0.121 176.780 176.870 0.051 0.000 1.035 335 L CA -0.252 54.611 54.840 0.038 0.000 0.807 335 L CB 1.688 43.797 42.059 0.083 0.000 1.237 335 L HN -0.043 nan 8.230 nan 0.000 0.442 336 T N 3.239 117.820 114.554 0.046 0.000 2.797 336 T HA 0.600 4.949 4.350 -0.001 0.000 0.279 336 T C -0.398 174.332 174.700 0.050 0.000 0.991 336 T CA -0.421 61.710 62.100 0.052 0.000 0.979 336 T CB 1.036 69.925 68.868 0.035 0.000 0.943 336 T HN 0.260 nan 8.240 nan 0.000 0.444 337 L N 2.756 124.018 121.223 0.065 0.000 2.343 337 L HA 0.829 5.169 4.340 -0.001 0.000 0.278 337 L C -0.081 176.913 176.870 0.207 0.000 0.996 337 L CA -0.969 53.903 54.840 0.054 0.000 0.831 337 L CB 1.352 43.358 42.059 -0.088 0.000 1.232 337 L HN 0.686 nan 8.230 nan 0.000 0.413 338 A N 3.720 126.691 122.820 0.250 0.000 2.435 338 A HA 1.010 5.330 4.320 -0.001 0.000 0.304 338 A C -0.910 176.799 177.584 0.208 0.000 1.064 338 A CA -0.729 51.431 52.037 0.205 0.000 0.727 338 A CB 2.031 21.091 19.000 0.099 0.000 1.284 338 A HN 0.832 nan 8.150 nan 0.000 0.415 339 R N -0.419 120.105 120.500 0.040 0.000 2.680 339 R HA 0.869 5.209 4.340 -0.001 0.000 0.269 339 R C -0.892 175.364 176.300 -0.074 0.000 1.026 339 R CA -0.272 55.780 56.100 -0.080 0.000 0.889 339 R CB 1.416 31.482 30.300 -0.391 0.000 1.241 339 R HN 0.703 nan 8.270 nan 0.000 0.463 340 T N 0.155 114.673 114.554 -0.058 0.000 2.889 340 T HA 0.662 5.012 4.350 -0.001 0.000 0.315 340 T C 0.054 174.740 174.700 -0.024 0.000 1.291 340 T CA 0.523 62.597 62.100 -0.043 0.000 1.028 340 T CB 1.144 69.997 68.868 -0.025 0.000 1.235 340 T HN 1.501 nan 8.240 nan 0.000 0.491 341 G N 2.134 110.937 108.800 0.005 0.000 2.539 341 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.256 341 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.256 341 G C -0.793 174.124 174.900 0.028 0.000 1.233 341 G CA -0.056 45.082 45.100 0.062 0.000 0.936 341 G HN 0.949 nan 8.290 nan 0.000 0.571 342 L N 1.927 123.129 121.223 -0.034 0.000 2.312 342 L HA 0.450 4.790 4.340 -0.001 0.000 0.281 342 L C 0.764 177.545 176.870 -0.150 0.000 1.070 342 L CA -0.724 54.043 54.840 -0.122 0.000 0.805 342 L CB 1.208 43.161 42.059 -0.177 0.000 1.174 342 L HN 0.897 nan 8.230 nan 0.000 0.434 343 N N 0.873 119.472 118.700 -0.168 0.000 2.566 343 N HA 0.160 4.900 4.740 -0.001 0.000 0.299 343 N C 0.385 175.738 175.510 -0.263 0.000 1.277 343 N CA -0.707 52.239 53.050 -0.173 0.000 0.965 343 N CB 0.434 38.843 38.487 -0.130 0.000 1.142 343 N HN 0.470 nan 8.380 nan 0.000 0.596 344 E N -0.575 119.488 120.200 -0.228 0.000 2.106 344 E HA -0.188 4.162 4.350 -0.001 0.000 0.192 344 E C 1.303 177.782 176.600 -0.201 0.000 0.984 344 E CA 0.910 57.131 56.400 -0.299 0.000 0.806 344 E CB -0.064 29.596 29.700 -0.067 0.000 0.750 344 E HN 0.643 nan 8.360 nan 0.000 0.458 345 K N 1.408 121.737 120.400 -0.118 0.000 2.057 345 K HA -0.190 4.130 4.320 -0.001 0.000 0.207 345 K C 1.854 178.384 176.600 -0.117 0.000 1.049 345 K CA 1.439 57.676 56.287 -0.083 0.000 0.931 345 K CB 0.135 32.608 32.500 -0.045 0.000 0.714 345 K HN 0.052 nan 8.250 nan 0.000 0.440 346 E N 0.026 120.137 120.200 -0.148 0.000 2.047 346 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 346 E C 2.054 178.539 176.600 -0.192 0.000 0.987 346 E CA 1.003 57.307 56.400 -0.159 0.000 0.799 346 E CB -0.159 29.439 29.700 -0.171 0.000 0.752 346 E HN 0.425 nan 8.360 nan 0.000 0.449 347 A N 1.831 124.486 122.820 -0.276 0.000 1.883 347 A HA -0.263 4.057 4.320 -0.001 0.000 0.217 347 A C 1.988 179.478 177.584 -0.156 0.000 1.186 347 A CA 1.707 53.568 52.037 -0.293 0.000 0.624 347 A CB -0.379 18.221 19.000 -0.667 0.000 0.822 347 A HN 0.050 nan 8.150 nan 0.000 0.444 348 K N -1.016 119.303 120.400 -0.135 0.000 2.057 348 K HA -0.104 4.216 4.320 -0.001 0.000 0.207 348 K C 2.097 178.538 176.600 -0.266 0.000 1.049 348 K CA 1.124 57.343 56.287 -0.112 0.000 0.931 348 K CB -0.484 31.983 32.500 -0.054 0.000 0.714 348 K HN 0.481 nan 8.250 nan 0.000 0.440 349 G N 0.856 109.551 108.800 -0.176 0.000 2.448 349 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.219 349 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.219 349 G C 1.324 176.178 174.900 -0.075 0.000 1.127 349 G CA 0.507 45.527 45.100 -0.134 0.000 0.766 349 G HN 0.128 nan 8.290 nan 0.000 0.552 350 L N -0.802 120.375 121.223 -0.076 0.000 2.567 350 L HA 0.215 4.555 4.340 -0.001 0.000 0.225 350 L C 0.802 177.743 176.870 0.117 0.000 1.119 350 L CA 0.011 54.859 54.840 0.013 0.000 0.871 350 L CB -0.134 41.900 42.059 -0.041 0.000 1.036 350 L HN 0.358 nan 8.230 nan 0.000 0.459 351 H N -0.823 118.253 119.070 0.009 0.000 2.820 351 H HA -0.142 4.413 4.556 -0.001 0.000 0.295 351 H C 0.223 175.570 175.328 0.033 0.000 1.187 351 H CA 0.411 56.474 56.048 0.025 0.000 1.144 351 H CB -1.838 27.931 29.762 0.011 0.000 1.354 351 H HN 0.276 nan 8.280 nan 0.000 0.395 352 I N 3.473 124.098 120.570 0.093 0.000 2.337 352 I HA 0.113 4.283 4.170 -0.001 0.000 0.291 352 I C -1.551 174.654 176.117 0.146 0.000 1.046 352 I CA -1.541 59.812 61.300 0.089 0.000 1.324 352 I CB 1.103 39.127 38.000 0.039 0.000 1.409 352 I HN -0.119 nan 8.210 nan 0.000 0.494 353 P HA 0.061 nan 4.420 nan 0.000 0.270 353 P C -1.468 175.858 177.300 0.043 0.000 1.242 353 P CA 0.289 63.410 63.100 0.034 0.000 0.768 353 P CB 0.101 31.803 31.700 0.003 0.000 0.820 354 Y N 0.808 121.033 120.300 -0.125 0.000 2.581 354 Y HA 0.721 5.271 4.550 -0.001 0.000 0.345 354 Y C -0.761 174.959 175.900 -0.300 0.000 1.036 354 Y CA -1.330 56.642 58.100 -0.214 0.000 1.042 354 Y CB 1.835 40.192 38.460 -0.170 0.000 1.289 354 Y HN 0.131 nan 8.280 nan 0.000 0.471 355 K N 0.697 120.789 120.400 -0.512 0.000 2.395 355 K HA 0.699 5.019 4.320 -0.001 0.000 0.245 355 K C -1.115 175.272 176.600 -0.355 0.000 1.017 355 K CA -0.946 55.010 56.287 -0.551 0.000 0.852 355 K CB 2.394 34.501 32.500 -0.654 0.000 1.311 355 K HN 0.942 nan 8.250 nan 0.000 0.452 356 T N -2.544 111.967 114.554 -0.071 0.000 2.916 356 T HA 0.649 4.999 4.350 -0.001 0.000 0.292 356 T C -0.846 173.987 174.700 0.222 0.000 1.055 356 T CA -0.720 61.459 62.100 0.131 0.000 1.009 356 T CB 1.447 70.408 68.868 0.156 0.000 1.118 356 T HN 0.181 nan 8.240 nan 0.000 0.497 357 V N 1.697 121.756 119.914 0.241 0.000 2.638 357 V HA 0.652 4.772 4.120 -0.001 0.000 0.306 357 V C -0.461 175.712 176.094 0.132 0.000 1.052 357 V CA -0.847 61.559 62.300 0.176 0.000 0.885 357 V CB 1.975 33.888 31.823 0.151 0.000 0.999 357 V HN 1.006 nan 8.190 nan 0.000 0.424 358 K N 2.959 123.427 120.400 0.115 0.000 2.324 358 K HA 0.831 5.151 4.320 -0.001 0.000 0.253 358 K C -1.895 174.768 176.600 0.104 0.000 0.932 358 K CA -0.509 55.849 56.287 0.119 0.000 0.799 358 K CB 2.373 34.955 32.500 0.137 0.000 1.154 358 K HN 0.470 nan 8.250 nan 0.000 0.425 359 V N 3.468 123.442 119.914 0.101 0.000 2.531 359 V HA 0.225 4.345 4.120 -0.001 0.000 0.301 359 V C -1.247 174.904 176.094 0.094 0.000 1.034 359 V CA -0.976 61.369 62.300 0.075 0.000 0.865 359 V CB 2.013 33.856 31.823 0.034 0.000 0.995 359 V HN 0.741 nan 8.190 nan 0.000 0.424 360 D N 3.019 123.484 120.400 0.107 0.000 2.317 360 D HA 0.628 5.268 4.640 -0.001 0.000 0.234 360 D C 0.051 176.330 176.300 -0.035 0.000 1.112 360 D CA 0.319 54.375 54.000 0.093 0.000 0.840 360 D CB 1.958 42.904 40.800 0.243 0.000 1.078 360 D HN 0.507 nan 8.370 nan 0.000 0.486 361 S N 1.015 116.619 115.700 -0.160 0.000 3.132 361 S HA 0.784 5.254 4.470 -0.001 0.000 0.322 361 S C -0.935 173.555 174.600 -0.183 0.000 1.124 361 S CA -0.452 57.675 58.200 -0.122 0.000 0.906 361 S CB 1.092 64.241 63.200 -0.085 0.000 1.349 361 S HN 0.461 nan 8.310 nan 0.000 0.686 362 T N 0.912 115.389 114.554 -0.129 0.000 2.906 362 T HA 0.571 4.920 4.350 -0.001 0.000 0.295 362 T C -0.486 174.155 174.700 -0.099 0.000 1.075 362 T CA -0.965 61.059 62.100 -0.126 0.000 1.005 362 T CB 1.036 69.852 68.868 -0.086 0.000 1.136 362 T HN 0.765 nan 8.240 nan 0.000 0.498 366 G N 0.833 109.486 108.800 -0.245 0.000 2.448 366 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.219 366 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.219 366 G C 1.010 175.888 174.900 -0.036 0.000 1.127 366 G CA 1.964 47.008 45.100 -0.094 0.000 0.766 366 G HN 1.445 nan 8.290 nan 0.000 0.552 367 Y N -1.563 118.791 120.300 0.090 0.000 2.544 367 Y HA 0.385 4.934 4.550 -0.001 0.000 0.286 367 Y C 0.871 176.817 175.900 0.076 0.000 1.141 367 Y CA -1.821 56.322 58.100 0.071 0.000 1.299 367 Y CB -0.745 37.757 38.460 0.070 0.000 1.030 367 Y HN 0.106 nan 8.280 nan 0.000 0.543 368 Y N 5.342 125.571 120.300 -0.117 0.000 2.359 368 Y HA 0.356 4.906 4.550 -0.001 0.000 0.330 368 Y C -2.108 173.773 175.900 -0.032 0.000 1.143 368 Y CA -3.563 54.517 58.100 -0.033 0.000 1.318 368 Y CB 0.529 38.897 38.460 -0.153 0.000 1.234 368 Y HN -0.023 nan 8.280 nan 0.000 0.522 369 P HA -0.097 nan 4.420 nan 0.000 0.265 369 P C -0.653 176.585 177.300 -0.102 0.000 1.193 369 P CA 0.462 63.396 63.100 -0.276 0.000 0.765 369 P CB 0.498 31.974 31.700 -0.372 0.000 0.823 370 N N -1.131 117.545 118.700 -0.040 0.000 2.741 370 N HA -0.187 4.552 4.740 -0.001 0.000 0.250 370 N C 0.134 175.661 175.510 0.030 0.000 1.115 370 N CA 0.915 53.965 53.050 -0.000 0.000 0.724 370 N CB -1.293 37.193 38.487 -0.001 0.000 1.090 370 N HN 0.688 nan 8.380 nan 0.000 0.558 371 A N 0.627 123.472 122.820 0.041 0.000 2.540 371 A HA 0.219 4.539 4.320 -0.001 0.000 0.239 371 A C 0.685 178.261 177.584 -0.014 0.000 1.061 371 A CA 0.629 52.673 52.037 0.013 0.000 0.758 371 A CB 0.544 19.542 19.000 -0.003 0.000 0.991 371 A HN 0.159 nan 8.150 nan 0.000 0.502 372 K N 2.313 122.692 120.400 -0.035 0.000 2.328 372 K HA 0.511 4.830 4.320 -0.001 0.000 0.246 372 K C -2.986 173.553 176.600 -0.102 0.000 0.955 372 K CA -1.952 54.307 56.287 -0.047 0.000 0.817 372 K CB 1.649 34.128 32.500 -0.034 0.000 1.208 372 K HN 0.348 nan 8.250 nan 0.000 0.432 373 P HA 0.166 nan 4.420 nan 0.000 0.269 373 P C -0.967 176.054 177.300 -0.466 0.000 1.215 373 P CA -0.449 62.467 63.100 -0.305 0.000 0.780 373 P CB 0.451 31.988 31.700 -0.272 0.000 0.898 374 L N 3.124 123.948 121.223 -0.664 0.000 2.476 374 L HA 0.446 4.785 4.340 -0.001 0.000 0.269 374 L C -1.725 174.736 176.870 -0.683 0.000 0.965 374 L CA -0.514 54.004 54.840 -0.537 0.000 0.845 374 L CB 1.028 42.942 42.059 -0.243 0.000 1.259 374 L HN 0.243 nan 8.230 nan 0.000 0.403 375 Y N 5.572 125.764 120.300 -0.180 0.000 2.335 375 Y HA 0.718 5.268 4.550 -0.001 0.000 0.338 375 Y C -0.447 175.394 175.900 -0.099 0.000 0.977 375 Y CA -0.673 57.312 58.100 -0.191 0.000 1.114 375 Y CB 1.753 39.912 38.460 -0.500 0.000 1.182 375 Y HN 0.538 nan 8.280 nan 0.000 0.463 376 L N 4.100 125.379 121.223 0.092 0.000 2.464 376 L HA 0.627 4.967 4.340 -0.001 0.000 0.266 376 L C -1.466 175.465 176.870 0.101 0.000 0.965 376 L CA -0.668 54.217 54.840 0.076 0.000 0.833 376 L CB 1.961 44.041 42.059 0.034 0.000 1.296 376 L HN 0.655 nan 8.230 nan 0.000 0.405 377 K N 5.172 125.637 120.400 0.107 0.000 2.427 377 K HA 0.695 5.015 4.320 -0.001 0.000 0.252 377 K C -1.941 174.719 176.600 0.100 0.000 0.931 377 K CA -0.633 55.723 56.287 0.115 0.000 0.793 377 K CB 1.768 34.348 32.500 0.133 0.000 1.211 377 K HN 0.628 nan 8.250 nan 0.000 0.426 378 L N 4.183 125.475 121.223 0.115 0.000 2.370 378 L HA 0.543 4.883 4.340 -0.001 0.000 0.266 378 L C -1.067 175.909 176.870 0.176 0.000 1.002 378 L CA -1.315 53.598 54.840 0.122 0.000 0.818 378 L CB 1.632 43.755 42.059 0.106 0.000 1.325 378 L HN 0.450 nan 8.230 nan 0.000 0.418 379 L N 2.604 123.910 121.223 0.137 0.000 2.334 379 L HA 0.599 4.939 4.340 -0.001 0.000 0.276 379 L C -0.815 176.180 176.870 0.209 0.000 1.014 379 L CA -0.299 54.616 54.840 0.125 0.000 0.815 379 L CB 1.523 43.557 42.059 -0.042 0.000 1.268 379 L HN 0.446 nan 8.230 nan 0.000 0.428 380 Y N -0.711 119.634 120.300 0.076 0.000 2.571 380 Y HA 0.664 5.213 4.550 -0.001 0.000 0.341 380 Y C -0.559 175.391 175.900 0.083 0.000 1.076 380 Y CA -1.519 56.606 58.100 0.043 0.000 1.029 380 Y CB 1.119 39.573 38.460 -0.011 0.000 1.308 380 Y HN 0.340 nan 8.280 nan 0.000 0.461 381 R N 1.550 122.141 120.500 0.152 0.000 2.522 381 R HA 0.137 4.476 4.340 -0.001 0.000 0.284 381 R C 0.721 177.065 176.300 0.073 0.000 1.032 381 R CA 0.577 56.727 56.100 0.082 0.000 1.049 381 R CB 0.846 31.201 30.300 0.092 0.000 0.956 381 R HN 0.996 nan 8.270 nan 0.000 0.422 382 S N 2.374 118.058 115.700 -0.026 0.000 2.383 382 S HA -0.198 4.271 4.470 -0.001 0.000 0.229 382 S C 1.179 175.817 174.600 0.064 0.000 1.030 382 S CA 1.928 60.120 58.200 -0.013 0.000 1.002 382 S CB -0.124 63.039 63.200 -0.062 0.000 0.829 382 S HN 0.729 nan 8.310 nan 0.000 0.467 383 D N 1.335 121.769 120.400 0.056 0.000 2.154 383 D HA -0.064 4.575 4.640 -0.001 0.000 0.211 383 D C 2.031 178.378 176.300 0.078 0.000 0.977 383 D CA 1.745 55.780 54.000 0.058 0.000 0.869 383 D CB -1.360 39.464 40.800 0.040 0.000 1.022 383 D HN 0.509 nan 8.370 nan 0.000 0.461 384 T N -3.325 111.277 114.554 0.079 0.000 3.081 384 T HA 0.137 4.487 4.350 -0.001 0.000 0.255 384 T C 0.699 175.459 174.700 0.100 0.000 1.113 384 T CA 0.017 62.163 62.100 0.077 0.000 1.082 384 T CB -0.047 68.856 68.868 0.059 0.000 0.939 384 T HN -0.010 nan 8.240 nan 0.000 0.506 385 K N 0.212 120.702 120.400 0.150 0.000 3.472 385 K HA -0.200 4.120 4.320 -0.001 0.000 0.315 385 K C 0.257 176.930 176.600 0.121 0.000 1.320 385 K CA 0.802 57.199 56.287 0.184 0.000 0.962 385 K CB -2.136 30.421 32.500 0.095 0.000 1.251 385 K HN 0.797 nan 8.250 nan 0.000 0.443 386 Q N 1.150 121.012 119.800 0.104 0.000 2.283 386 Q HA 0.083 4.423 4.340 -0.001 0.000 0.301 386 Q C -0.164 175.894 176.000 0.096 0.000 1.063 386 Q CA -0.022 55.824 55.803 0.071 0.000 0.952 386 Q CB 0.375 29.145 28.738 0.054 0.000 1.166 386 Q HN 0.245 nan 8.270 nan 0.000 0.381 387 L N 4.968 126.229 121.223 0.062 0.000 2.499 387 L HA -0.029 4.310 4.340 -0.001 0.000 0.273 387 L C 0.164 177.072 176.870 0.063 0.000 1.195 387 L CA 0.842 55.726 54.840 0.073 0.000 0.882 387 L CB 0.487 42.567 42.059 0.035 0.000 1.133 387 L HN 0.861 nan 8.230 nan 0.000 0.483 388 L N 4.180 125.445 121.223 0.069 0.000 2.500 388 L HA 0.514 4.854 4.340 -0.001 0.000 0.219 388 L C 0.904 177.777 176.870 0.005 0.000 1.057 388 L CA 0.374 55.228 54.840 0.024 0.000 0.854 388 L CB 0.063 42.119 42.059 -0.006 0.000 1.078 388 L HN 0.821 nan 8.230 nan 0.000 0.480 389 G N -1.143 107.665 108.800 0.014 0.000 2.356 389 G HA2 0.499 4.458 3.960 -0.001 0.000 0.294 389 G HA3 0.499 4.458 3.960 -0.001 0.000 0.294 389 G C -1.694 173.216 174.900 0.017 0.000 1.423 389 G CA 0.021 45.121 45.100 0.001 0.000 0.806 389 G HN 0.063 nan 8.290 nan 0.000 0.527 390 G N -1.268 107.539 108.800 0.011 0.000 2.698 390 G HA2 0.665 4.625 3.960 -0.001 0.000 0.293 390 G HA3 0.665 4.625 3.960 -0.001 0.000 0.293 390 G C -1.537 173.384 174.900 0.035 0.000 1.437 390 G CA -0.483 44.638 45.100 0.034 0.000 0.852 390 G HN 0.588 nan 8.290 nan 0.000 0.499 391 Q N -0.537 119.310 119.800 0.078 0.000 2.305 391 Q HA 0.632 4.971 4.340 -0.001 0.000 0.271 391 Q C -1.136 174.953 176.000 0.149 0.000 1.046 391 Q CA -0.816 55.073 55.803 0.144 0.000 0.798 391 Q CB 3.379 32.246 28.738 0.216 0.000 1.286 391 Q HN 0.433 nan 8.270 nan 0.000 0.435 392 V N 3.368 123.377 119.914 0.158 0.000 2.638 392 V HA 0.621 4.741 4.120 -0.001 0.000 0.306 392 V C -0.685 175.460 176.094 0.085 0.000 1.052 392 V CA -0.591 61.767 62.300 0.096 0.000 0.885 392 V CB 1.888 33.746 31.823 0.059 0.000 0.999 392 V HN 0.686 nan 8.190 nan 0.000 0.424 393 I N 2.921 123.512 120.570 0.035 0.000 2.569 393 I HA 0.885 5.055 4.170 -0.001 0.000 0.290 393 I C 0.370 176.497 176.117 0.017 0.000 1.088 393 I CA -0.166 61.134 61.300 -0.001 0.000 1.047 393 I CB 2.298 40.242 38.000 -0.093 0.000 1.237 393 I HN 0.898 nan 8.210 nan 0.000 0.421 394 G N 3.937 112.747 108.800 0.016 0.000 2.321 394 G HA2 0.176 4.135 3.960 -0.001 0.000 0.296 394 G HA3 0.176 4.135 3.960 -0.001 0.000 0.296 394 G C -0.467 174.440 174.900 0.010 0.000 1.287 394 G CA -0.440 44.663 45.100 0.005 0.000 0.846 394 G HN 0.562 nan 8.290 nan 0.000 0.508 395 E N -0.146 120.053 120.200 -0.001 0.000 2.276 395 E HA 0.171 4.521 4.350 -0.001 0.000 0.193 395 E C -0.014 176.584 176.600 -0.004 0.000 0.983 395 E CA 0.698 57.100 56.400 0.004 0.000 0.861 395 E CB 0.341 30.046 29.700 0.008 0.000 0.817 395 E HN 0.427 nan 8.360 nan 0.000 0.485 396 E N -0.810 119.382 120.200 -0.014 0.000 2.390 396 E HA 0.341 4.691 4.350 -0.001 0.000 0.277 396 E C 0.138 176.730 176.600 -0.013 0.000 0.939 396 E CA -0.397 55.997 56.400 -0.010 0.000 0.769 396 E CB 1.636 31.330 29.700 -0.011 0.000 1.251 396 E HN 0.154 nan 8.360 nan 0.000 0.450 397 G N 0.537 109.336 108.800 -0.002 0.000 2.166 397 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.260 397 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.260 397 G C 0.836 175.736 174.900 -0.001 0.000 0.986 397 G CA 0.624 45.726 45.100 0.003 0.000 0.683 397 G HN 0.318 nan 8.290 nan 0.000 0.527 398 V N 1.544 121.458 119.914 0.000 0.000 2.379 398 V HA -0.115 4.005 4.120 -0.001 0.000 0.245 398 V C 2.826 178.929 176.094 0.015 0.000 1.044 398 V CA 2.624 64.930 62.300 0.009 0.000 1.036 398 V CB -0.393 31.440 31.823 0.017 0.000 0.664 398 V HN 0.684 nan 8.190 nan 0.000 0.453 399 D N 0.984 121.390 120.400 0.011 0.000 2.144 399 D HA -0.275 4.365 4.640 -0.001 0.000 0.199 399 D C 1.968 178.268 176.300 0.001 0.000 0.984 399 D CA 1.676 55.679 54.000 0.006 0.000 0.834 399 D CB -0.432 40.368 40.800 -0.000 0.000 0.955 399 D HN 0.452 nan 8.370 nan 0.000 0.465 400 K N 0.286 120.687 120.400 0.001 0.000 2.032 400 K HA -0.173 4.147 4.320 -0.001 0.000 0.209 400 K C 2.250 178.851 176.600 0.002 0.000 1.048 400 K CA 1.189 57.476 56.287 -0.001 0.000 0.927 400 K CB 0.096 32.599 32.500 0.006 0.000 0.712 400 K HN -0.117 nan 8.250 nan 0.000 0.441 401 R N 0.431 120.936 120.500 0.008 0.000 2.075 401 R HA -0.028 4.311 4.340 -0.001 0.000 0.232 401 R C 2.150 178.459 176.300 0.013 0.000 1.126 401 R CA 0.997 57.105 56.100 0.012 0.000 0.963 401 R CB -0.612 29.696 30.300 0.013 0.000 0.858 401 R HN 0.271 nan 8.270 nan 0.000 0.435 402 I N 0.823 121.402 120.570 0.014 0.000 2.394 402 I HA -0.194 3.976 4.170 -0.001 0.000 0.251 402 I C 0.958 177.075 176.117 0.001 0.000 1.136 402 I CA 1.508 62.816 61.300 0.014 0.000 1.425 402 I CB -0.194 37.819 38.000 0.021 0.000 1.079 402 I HN 0.078 nan 8.210 nan 0.000 0.425 403 D N -0.409 119.987 120.400 -0.007 0.000 2.117 403 D HA -0.121 4.518 4.640 -0.001 0.000 0.198 403 D C 2.432 178.723 176.300 -0.015 0.000 0.982 403 D CA 1.196 55.184 54.000 -0.019 0.000 0.828 403 D CB -0.247 40.536 40.800 -0.027 0.000 0.967 403 D HN 0.185 nan 8.370 nan 0.000 0.464 404 V N 0.952 120.863 119.914 -0.005 0.000 2.343 404 V HA -0.215 3.905 4.120 -0.001 0.000 0.247 404 V C 2.409 178.510 176.094 0.012 0.000 1.051 404 V CA 1.149 63.451 62.300 0.002 0.000 1.036 404 V CB -0.344 31.484 31.823 0.007 0.000 0.654 404 V HN 0.197 nan 8.190 nan 0.000 0.451 405 I N 0.047 120.625 120.570 0.014 0.000 2.315 405 I HA -0.082 4.088 4.170 -0.001 0.000 0.248 405 I C 1.752 177.883 176.117 0.022 0.000 1.117 405 I CA 0.707 62.019 61.300 0.020 0.000 1.404 405 I CB -0.477 37.535 38.000 0.021 0.000 1.071 405 I HN 0.280 nan 8.210 nan 0.000 0.419 409 L N -0.582 120.681 121.223 0.066 0.000 2.046 409 L HA -0.090 4.250 4.340 -0.001 0.000 0.208 409 L C 2.364 179.270 176.870 0.061 0.000 1.077 409 L CA 2.082 56.953 54.840 0.052 0.000 0.747 409 L CB -0.536 41.551 42.059 0.047 0.000 0.896 409 L HN 0.538 nan 8.230 nan 0.000 0.432 410 F N 1.262 121.190 119.950 -0.037 0.000 2.126 410 F HA -0.209 4.317 4.527 -0.001 0.000 0.299 410 F C 2.185 177.968 175.800 -0.028 0.000 1.096 410 F CA 1.543 59.516 58.000 -0.045 0.000 1.255 410 F CB -0.190 38.779 39.000 -0.053 0.000 0.997 410 F HN 0.130 nan 8.300 nan 0.000 0.479 411 N N 0.822 119.564 118.700 0.070 0.000 2.383 411 N HA 0.009 4.748 4.740 -0.001 0.000 0.192 411 N C 0.007 175.491 175.510 -0.043 0.000 1.141 411 N CA 0.228 53.274 53.050 -0.007 0.000 0.851 411 N CB 0.101 38.638 38.487 0.082 0.000 0.976 411 N HN 0.123 nan 8.380 nan 0.000 0.465 415 I N 2.475 122.962 120.570 -0.138 0.000 2.208 415 I HA -0.148 4.021 4.170 -0.001 0.000 0.245 415 I C 1.983 177.947 176.117 -0.256 0.000 1.097 415 I CA 1.684 62.830 61.300 -0.257 0.000 1.363 415 I CB -0.135 37.566 38.000 -0.498 0.000 1.051 415 I HN 0.831 nan 8.210 nan 0.000 0.413 416 H N 0.420 119.434 119.070 -0.092 0.000 2.491 416 H HA -0.101 4.455 4.556 -0.001 0.000 0.290 416 H C 1.564 176.881 175.328 -0.018 0.000 1.050 416 H CA 1.242 57.250 56.048 -0.066 0.000 1.309 416 H CB -0.346 29.376 29.762 -0.066 0.000 1.392 416 H HN 0.448 nan 8.280 nan 0.000 0.554 417 D N 0.684 121.135 120.400 0.084 0.000 2.218 417 D HA -0.094 4.545 4.640 -0.001 0.000 0.204 417 D C 2.291 178.627 176.300 0.060 0.000 0.976 417 D CA 0.276 54.315 54.000 0.066 0.000 0.853 417 D CB -0.205 40.622 40.800 0.045 0.000 0.939 417 D HN 0.328 nan 8.370 nan 0.000 0.481 418 L N 0.791 122.041 121.223 0.045 0.000 2.191 418 L HA -0.161 4.178 4.340 -0.001 0.000 0.212 418 L C 2.129 179.059 176.870 0.100 0.000 1.103 418 L CA 1.036 55.907 54.840 0.053 0.000 0.769 418 L CB -0.386 41.690 42.059 0.027 0.000 0.908 418 L HN 0.009 nan 8.230 nan 0.000 0.438 419 E N -0.106 120.173 120.200 0.131 0.000 2.267 419 E HA -0.217 4.133 4.350 -0.001 0.000 0.197 419 E C 1.076 177.809 176.600 0.222 0.000 0.998 419 E CA 1.105 57.645 56.400 0.233 0.000 0.830 419 E CB -0.055 29.764 29.700 0.199 0.000 0.751 419 E HN 0.520 nan 8.360 nan 0.000 0.491 420 D N 0.061 120.536 120.400 0.125 0.000 2.360 420 D HA 0.024 4.663 4.640 -0.001 0.000 0.210 420 D C 0.048 176.372 176.300 0.040 0.000 1.047 420 D CA 0.182 54.230 54.000 0.079 0.000 0.854 420 D CB 0.559 41.396 40.800 0.063 0.000 0.936 420 D HN -0.056 nan 8.370 nan 0.000 0.514 421 V N 1.829 121.768 119.914 0.042 0.000 2.555 421 V HA 0.003 4.123 4.120 -0.001 0.000 0.286 421 V C 0.484 176.572 176.094 -0.010 0.000 1.044 421 V CA -0.477 61.833 62.300 0.017 0.000 1.026 421 V CB 1.464 33.300 31.823 0.023 0.000 0.981 421 V HN -0.078 nan 8.190 nan 0.000 0.480 422 D N 4.954 125.342 120.400 -0.021 0.000 2.558 422 D HA 0.248 4.888 4.640 -0.001 0.000 0.221 422 D C 0.056 176.336 176.300 -0.034 0.000 1.143 422 D CA -0.017 53.958 54.000 -0.041 0.000 1.010 422 D CB -0.274 40.504 40.800 -0.037 0.000 1.068 422 D HN 0.416 nan 8.370 nan 0.000 0.511 423 L N 1.114 122.319 121.223 -0.031 0.000 2.453 423 L HA 0.236 4.576 4.340 -0.001 0.000 0.261 423 L C 1.156 178.017 176.870 -0.014 0.000 1.179 423 L CA -0.767 54.062 54.840 -0.019 0.000 0.813 423 L CB 0.845 42.902 42.059 -0.003 0.000 1.110 423 L HN 0.276 nan 8.230 nan 0.000 0.466 424 S N 0.750 116.442 115.700 -0.012 0.000 2.565 424 S HA 0.328 4.798 4.470 -0.001 0.000 0.276 424 S C -0.886 173.764 174.600 0.082 0.000 1.326 424 S CA -0.431 57.764 58.200 -0.009 0.000 1.045 424 S CB 0.710 63.864 63.200 -0.077 0.000 0.918 424 S HN 0.529 nan 8.310 nan 0.000 0.505 425 Y N 1.208 121.470 120.300 -0.064 0.000 2.396 425 Y HA 0.599 5.149 4.550 -0.001 0.000 0.332 425 Y C -0.802 175.098 175.900 -0.001 0.000 1.034 425 Y CA -0.620 57.460 58.100 -0.033 0.000 1.057 425 Y CB 0.998 39.421 38.460 -0.062 0.000 1.220 425 Y HN 1.149 nan 8.280 nan 0.000 0.440 426 A N 6.260 128.732 122.820 -0.579 0.000 2.556 426 A HA 0.646 4.966 4.320 -0.001 0.000 0.294 426 A C -2.673 174.498 177.584 -0.689 0.000 1.091 426 A CA -1.975 49.608 52.037 -0.756 0.000 0.704 426 A CB 1.576 20.469 19.000 -0.179 0.000 1.300 426 A HN 0.535 nan 8.150 nan 0.000 0.406 427 P HA -0.098 nan 4.420 nan 0.000 0.216 427 P C -1.561 175.203 177.300 -0.894 0.000 1.150 427 P CA 1.797 64.621 63.100 -0.460 0.000 0.843 427 P CB -0.635 30.952 31.700 -0.189 0.000 0.787 428 P HA -0.061 nan 4.420 nan 0.000 0.242 428 P C 0.363 177.006 177.300 -1.095 0.000 1.197 428 P CA 1.263 63.535 63.100 -1.381 0.000 0.765 428 P CB -0.369 30.577 31.700 -1.256 0.000 0.936 429 Y N -3.270 116.854 120.300 -0.294 0.000 2.512 429 Y HA 0.341 4.891 4.550 -0.001 0.000 0.268 429 Y C 1.059 176.918 175.900 -0.068 0.000 1.102 429 Y CA -0.290 57.721 58.100 -0.149 0.000 1.261 429 Y CB 0.479 38.864 38.460 -0.125 0.000 1.250 429 Y HN -0.119 nan 8.280 nan 0.000 0.506 430 N N -1.361 117.405 118.700 0.111 0.000 3.339 430 N HA 0.294 5.034 4.740 -0.001 0.000 0.275 430 N C -1.451 174.204 175.510 0.241 0.000 1.514 430 N CA -0.244 52.908 53.050 0.169 0.000 0.879 430 N CB 1.554 40.175 38.487 0.225 0.000 1.557 430 N HN -0.138 nan 8.380 nan 0.000 0.524 431 S N -0.416 115.333 115.700 0.082 0.000 2.690 431 S HA 0.309 4.779 4.470 -0.001 0.000 0.291 431 S C 1.701 175.947 174.600 -0.590 0.000 1.138 431 S CA -0.505 57.615 58.200 -0.134 0.000 1.013 431 S CB 1.399 64.551 63.200 -0.080 0.000 1.053 431 S HN 0.395 nan 8.310 nan 0.000 0.539 432 V N -1.845 117.430 119.914 -1.065 0.000 2.469 432 V HA -0.089 4.031 4.120 -0.001 0.000 0.251 432 V C 0.083 175.797 176.094 -0.633 0.000 1.064 432 V CA 1.032 62.657 62.300 -1.125 0.000 1.066 432 V CB -0.835 30.542 31.823 -0.742 0.000 0.667 432 V HN 0.716 nan 8.190 nan 0.000 0.461 433 W N 0.611 121.752 121.300 -0.264 0.000 2.376 433 W HA 0.493 5.152 4.660 -0.001 0.000 0.312 433 W C 0.193 176.645 176.519 -0.110 0.000 1.060 433 W CA -0.719 56.542 57.345 -0.139 0.000 1.221 433 W CB 0.625 30.027 29.460 -0.096 0.000 1.281 433 W HN -0.045 nan 8.180 nan 0.000 0.456 434 D N 4.160 124.642 120.400 0.137 0.000 2.423 434 D HA -0.012 4.627 4.640 -0.001 0.000 0.238 434 D C -1.324 175.032 176.300 0.094 0.000 1.142 434 D CA -0.939 53.113 54.000 0.086 0.000 0.884 434 D CB 1.780 42.620 40.800 0.066 0.000 1.199 434 D HN 0.058 nan 8.370 nan 0.000 0.438 435 P HA -0.160 nan 4.420 nan 0.000 0.217 435 P C 1.485 178.802 177.300 0.029 0.000 1.151 435 P CA 1.223 64.338 63.100 0.024 0.000 0.849 435 P CB 0.144 31.843 31.700 -0.003 0.000 0.787 436 I N -1.073 119.519 120.570 0.037 0.000 2.208 436 I HA -0.295 3.875 4.170 -0.001 0.000 0.245 436 I C 2.434 178.574 176.117 0.038 0.000 1.097 436 I CA 1.637 62.957 61.300 0.034 0.000 1.363 436 I CB -0.680 37.340 38.000 0.034 0.000 1.051 436 I HN 0.015 nan 8.210 nan 0.000 0.413 437 Q N -0.040 119.810 119.800 0.083 0.000 2.123 437 Q HA -0.180 4.160 4.340 -0.001 0.000 0.199 437 Q C 2.273 178.288 176.000 0.025 0.000 0.966 437 Q CA 0.910 56.785 55.803 0.120 0.000 0.845 437 Q CB -0.098 28.830 28.738 0.317 0.000 0.907 437 Q HN 0.494 nan 8.270 nan 0.000 0.439 438 Q N 0.345 120.151 119.800 0.009 0.000 2.084 438 Q HA -0.117 4.223 4.340 -0.001 0.000 0.202 438 Q C 2.118 178.079 176.000 -0.065 0.000 0.978 438 Q CA 1.502 57.255 55.803 -0.085 0.000 0.844 438 Q CB -0.340 28.364 28.738 -0.056 0.000 0.898 438 Q HN 0.387 nan 8.270 nan 0.000 0.426 439 A N 1.308 124.112 122.820 -0.026 0.000 1.898 439 A HA -0.051 4.269 4.320 -0.001 0.000 0.216 439 A C 2.396 179.946 177.584 -0.057 0.000 1.181 439 A CA 1.828 53.854 52.037 -0.019 0.000 0.620 439 A CB -0.734 18.270 19.000 0.008 0.000 0.819 439 A HN 0.362 nan 8.150 nan 0.000 0.442 440 A N -0.030 122.748 122.820 -0.070 0.000 1.948 440 A HA -0.226 4.094 4.320 -0.001 0.000 0.220 440 A C 2.217 179.750 177.584 -0.084 0.000 1.177 440 A CA 1.763 53.720 52.037 -0.132 0.000 0.636 440 A CB -0.492 18.462 19.000 -0.077 0.000 0.815 440 A HN 0.570 nan 8.150 nan 0.000 0.449 441 R N -0.838 119.628 120.500 -0.057 0.000 2.148 441 R HA -0.024 4.316 4.340 -0.001 0.000 0.227 441 R C 1.997 178.283 176.300 -0.023 0.000 1.103 441 R CA 1.061 57.130 56.100 -0.052 0.000 0.983 441 R CB -0.151 30.023 30.300 -0.210 0.000 0.874 441 R HN 0.462 nan 8.270 nan 0.000 0.451 442 R N 0.468 120.946 120.500 -0.036 0.000 2.275 442 R HA 0.179 4.519 4.340 -0.001 0.000 0.199 442 R C 0.730 177.045 176.300 0.025 0.000 0.989 442 R CA 0.360 56.456 56.100 -0.007 0.000 1.016 442 R CB -0.004 30.296 30.300 -0.001 0.000 0.918 442 R HN 0.049 nan 8.270 nan 0.000 0.473 443 A N 2.020 124.820 122.820 -0.033 0.000 2.425 443 A HA 0.093 4.413 4.320 -0.001 0.000 0.242 443 A C 0.244 177.878 177.584 0.083 0.000 1.077 443 A CA -0.211 51.746 52.037 -0.132 0.000 0.781 443 A CB 0.391 18.911 19.000 -0.800 0.000 1.020 443 A HN 0.186 nan 8.150 nan 0.000 0.494 444 E N 0.000 120.303 120.200 0.172 0.000 2.725 444 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 444 E CA 0.000 56.528 56.400 0.214 0.000 0.976 444 E CB 0.000 29.830 29.700 0.216 0.000 0.812 444 E HN 0.000 nan 8.360 nan 0.000 0.440