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 1ddz_1_B DATA FIRST_RESID 84 DATA SEQUENCE VMSDLEKKFI ELEAKLVAQP AGQAMPGKSN IFANNEAWRQ EMLKQDPEFF DATA SEQUENCE NRLANGQSPE YLWIGCADSR VPANQLLDLP AGEVFVHRNI ANQCIHSDIS DATA SEQUENCE FLSVLQYAVQ YLKVKHILVC GHYGCGGAKA ALGDSRLGLI DNWLRHIRDV DATA SEQUENCE RRMNAKYLDK CKDGDEELNR LIELNVLEQV HNVCATSIVQ DAWDAGQELT DATA SEQUENCE VQGVVYGVGD GKLRDLGVVV NSSDDISKFY RTKSDSGALK AGNPNAPLVQ DATA SEQUENCE VTKGGESELD STMEKLTAEL VQQTPGKLKE GANRVFVNNE NWRQKMLKQD DATA SEQUENCE PQFFSNLAHT QTPEILWIGC ADSRVPANQI INLPAGEVFV HRNIANQCIH DATA SEQUENCE SDMSFLSVLQ YAVQYLKVKR VVVCGHYACG GCAAALGDSR LGLIDNWLRH DATA SEQUENCE IRDVRRHNQA ELSRITDPKD SLNRLIEINV LEQMHNVCAT SIVQDAWDAG DATA SEQUENCE QELEVQGVVY GVGDGKLRDM GVVAKANDDI G 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 84 V HA 0.000 nan 4.120 nan 0.000 0.244 84 V C 0.000 176.106 176.094 0.020 0.000 1.182 84 V CA 0.000 62.308 62.300 0.014 0.000 1.235 84 V CB 0.000 31.829 31.823 0.011 0.000 1.184 85 M N 2.600 122.214 119.600 0.025 0.000 2.444 85 M HA 0.604 5.084 4.480 0.000 0.000 0.319 85 M C 0.797 177.121 176.300 0.041 0.000 1.183 85 M CA -0.117 55.206 55.300 0.037 0.000 1.032 85 M CB 1.999 34.625 32.600 0.043 0.000 1.569 85 M HN 0.663 nan 8.290 nan 0.000 0.468 86 S N -0.284 115.450 115.700 0.057 0.000 2.645 86 S HA 0.190 4.660 4.470 0.000 0.000 0.266 86 S C 0.340 174.977 174.600 0.061 0.000 1.258 86 S CA -0.720 57.516 58.200 0.060 0.000 0.990 86 S CB 0.790 64.037 63.200 0.079 0.000 0.967 86 S HN 0.658 nan 8.310 nan 0.000 0.556 87 D N 0.290 120.720 120.400 0.050 0.000 2.149 87 D HA -0.076 4.564 4.640 0.000 0.000 0.198 87 D C 1.772 178.106 176.300 0.057 0.000 0.990 87 D CA 0.818 54.837 54.000 0.033 0.000 0.839 87 D CB -0.329 40.476 40.800 0.008 0.000 0.948 87 D HN 0.451 nan 8.370 nan 0.000 0.460 88 L N 0.683 121.973 121.223 0.111 0.000 2.017 88 L HA -0.211 4.129 4.340 0.000 0.000 0.208 88 L C 2.236 179.206 176.870 0.167 0.000 1.073 88 L CA 1.535 56.482 54.840 0.179 0.000 0.745 88 L CB -0.186 42.025 42.059 0.253 0.000 0.894 88 L HN 0.011 nan 8.230 nan 0.000 0.432 89 E N -0.237 120.064 120.200 0.168 0.000 2.070 89 E HA -0.279 4.071 4.350 0.000 0.000 0.197 89 E C 2.174 178.843 176.600 0.115 0.000 1.004 89 E CA 1.669 58.172 56.400 0.173 0.000 0.805 89 E CB 0.076 29.868 29.700 0.153 0.000 0.744 89 E HN 0.421 nan 8.360 nan 0.000 0.451 90 K N 0.473 120.915 120.400 0.070 0.000 2.026 90 K HA -0.194 4.126 4.320 0.000 0.000 0.208 90 K C 2.157 178.758 176.600 0.001 0.000 1.048 90 K CA 1.310 57.616 56.287 0.032 0.000 0.929 90 K CB -0.127 32.380 32.500 0.012 0.000 0.713 90 K HN -0.132 nan 8.250 nan 0.000 0.439 91 K N 1.032 121.420 120.400 -0.020 0.000 2.074 91 K HA -0.157 4.163 4.320 0.000 0.000 0.209 91 K C 1.712 178.172 176.600 -0.234 0.000 1.048 91 K CA 1.634 57.844 56.287 -0.128 0.000 0.926 91 K CB -0.435 31.980 32.500 -0.141 0.000 0.713 91 K HN 0.055 nan 8.250 nan 0.000 0.444 92 F N 0.085 119.940 119.950 -0.157 0.000 2.259 92 F HA 0.044 4.571 4.527 0.000 0.000 0.298 92 F C 1.946 177.708 175.800 -0.062 0.000 1.088 92 F CA 0.844 58.747 58.000 -0.162 0.000 1.358 92 F CB -0.104 38.671 39.000 -0.375 0.000 1.040 92 F HN -0.033 nan 8.300 nan 0.000 0.505 93 I N -0.174 120.445 120.570 0.081 0.000 2.286 93 I HA -0.290 3.881 4.170 0.000 0.000 0.248 93 I C 2.424 178.544 176.117 0.004 0.000 1.115 93 I CA 1.465 62.799 61.300 0.056 0.000 1.392 93 I CB -0.340 37.688 38.000 0.047 0.000 1.065 93 I HN 0.160 nan 8.210 nan 0.000 0.418 94 E N 0.959 121.134 120.200 -0.041 0.000 2.072 94 E HA -0.197 4.153 4.350 0.000 0.000 0.191 94 E C 2.350 178.897 176.600 -0.088 0.000 0.985 94 E CA 1.039 57.399 56.400 -0.067 0.000 0.801 94 E CB 0.035 29.680 29.700 -0.092 0.000 0.750 94 E HN 0.428 nan 8.360 nan 0.000 0.452 95 L N 0.592 121.724 121.223 -0.152 0.000 2.093 95 L HA -0.155 4.185 4.340 0.000 0.000 0.208 95 L C 2.631 179.470 176.870 -0.052 0.000 1.085 95 L CA 1.181 55.924 54.840 -0.162 0.000 0.755 95 L CB -0.380 41.464 42.059 -0.358 0.000 0.904 95 L HN 0.261 nan 8.230 nan 0.000 0.435 96 E N 0.499 120.700 120.200 0.003 0.000 2.072 96 E HA -0.234 4.117 4.350 0.000 0.000 0.191 96 E C 2.224 178.836 176.600 0.020 0.000 0.985 96 E CA 1.145 57.572 56.400 0.044 0.000 0.801 96 E CB 0.051 29.799 29.700 0.080 0.000 0.750 96 E HN 0.448 nan 8.360 nan 0.000 0.452 97 A N 1.691 124.514 122.820 0.005 0.000 1.902 97 A HA -0.229 4.091 4.320 0.000 0.000 0.217 97 A C 2.129 179.709 177.584 -0.008 0.000 1.181 97 A CA 1.819 53.856 52.037 -0.000 0.000 0.623 97 A CB -0.537 18.458 19.000 -0.007 0.000 0.818 97 A HN 0.234 nan 8.150 nan 0.000 0.443 98 K N -0.677 119.711 120.400 -0.021 0.000 2.103 98 K HA -0.162 4.158 4.320 0.000 0.000 0.207 98 K C 1.896 178.488 176.600 -0.013 0.000 1.048 98 K CA 1.628 57.900 56.287 -0.026 0.000 0.930 98 K CB -0.274 32.199 32.500 -0.045 0.000 0.716 98 K HN 0.373 nan 8.250 nan 0.000 0.444 99 L N 0.727 121.949 121.223 -0.001 0.000 2.023 99 L HA -0.077 4.263 4.340 0.000 0.000 0.205 99 L C 1.932 178.813 176.870 0.019 0.000 1.073 99 L CA 1.427 56.276 54.840 0.016 0.000 0.745 99 L CB -0.618 41.460 42.059 0.033 0.000 0.900 99 L HN -0.040 nan 8.230 nan 0.000 0.435 100 V N 0.676 120.602 119.914 0.019 0.000 2.828 100 V HA -0.239 3.882 4.120 0.000 0.000 0.260 100 V C 2.655 178.755 176.094 0.010 0.000 1.101 100 V CA 1.381 63.692 62.300 0.018 0.000 1.123 100 V CB -1.239 30.596 31.823 0.021 0.000 0.704 100 V HN 0.635 nan 8.190 nan 0.000 0.493 101 A N -1.277 121.545 122.820 0.004 0.000 2.206 101 A HA 0.037 4.357 4.320 0.000 0.000 0.211 101 A C 1.078 178.661 177.584 -0.002 0.000 1.158 101 A CA 0.353 52.390 52.037 -0.001 0.000 0.761 101 A CB -0.103 18.893 19.000 -0.006 0.000 0.801 101 A HN 0.621 nan 8.150 nan 0.000 0.473 102 Q N 0.072 119.873 119.800 0.003 0.000 2.306 102 Q HA 0.437 4.777 4.340 0.000 0.000 0.265 102 Q C -2.763 173.240 176.000 0.006 0.000 1.022 102 Q CA -2.375 53.430 55.803 0.003 0.000 0.853 102 Q CB 1.418 30.160 28.738 0.007 0.000 1.327 102 Q HN 0.106 nan 8.270 nan 0.000 0.449 103 P HA 0.086 nan 4.420 nan 0.000 0.277 103 P C -1.148 176.145 177.300 -0.011 0.000 1.240 103 P CA -0.365 62.730 63.100 -0.009 0.000 0.798 103 P CB 0.534 32.222 31.700 -0.019 0.000 0.979 104 A N 2.197 125.005 122.820 -0.020 0.000 2.573 104 A HA 0.353 4.673 4.320 0.000 0.000 0.250 104 A C 1.551 179.059 177.584 -0.126 0.000 1.049 104 A CA 0.945 52.961 52.037 -0.036 0.000 0.767 104 A CB -1.760 17.214 19.000 -0.044 0.000 0.965 104 A HN 0.917 nan 8.150 nan 0.000 0.514 105 G N 1.477 110.177 108.800 -0.166 0.000 2.179 105 G HA2 -0.227 3.733 3.960 0.000 0.000 0.260 105 G HA3 -0.227 3.733 3.960 0.000 0.000 0.260 105 G C 0.530 175.358 174.900 -0.119 0.000 0.977 105 G CA 0.596 45.429 45.100 -0.445 0.000 0.641 105 G HN 0.777 nan 8.290 nan 0.000 0.533 106 Q N -0.278 119.512 119.800 -0.017 0.000 2.171 106 Q HA 0.569 4.910 4.340 0.000 0.000 0.218 106 Q C 1.230 177.256 176.000 0.043 0.000 0.822 106 Q CA 0.562 56.372 55.803 0.012 0.000 0.987 106 Q CB 0.812 29.542 28.738 -0.013 0.000 1.144 106 Q HN 1.056 nan 8.270 nan 0.000 0.494 107 A N 1.506 124.374 122.820 0.081 0.000 2.561 107 A HA 0.119 4.439 4.320 0.000 0.000 0.234 107 A C 0.554 178.160 177.584 0.037 0.000 1.055 107 A CA 0.417 52.489 52.037 0.059 0.000 0.756 107 A CB 0.175 19.229 19.000 0.091 0.000 0.986 107 A HN 0.168 nan 8.150 nan 0.000 0.505 108 M N 1.877 121.466 119.600 -0.018 0.000 2.291 108 M HA 0.293 4.773 4.480 0.000 0.000 0.324 108 M C -2.193 174.017 176.300 -0.149 0.000 1.148 108 M CA -1.824 53.443 55.300 -0.055 0.000 1.104 108 M CB 0.242 32.798 32.600 -0.073 0.000 1.483 108 M HN 0.332 nan 8.290 nan 0.000 0.467 109 P HA 0.136 nan 4.420 nan 0.000 0.270 109 P C -0.031 176.803 177.300 -0.777 0.000 1.223 109 P CA 0.049 62.866 63.100 -0.471 0.000 0.785 109 P CB 0.523 32.124 31.700 -0.165 0.000 0.923 110 G N 1.293 109.025 108.800 -1.780 0.000 2.849 110 G HA2 0.149 4.109 3.960 0.000 0.000 0.174 110 G HA3 0.149 4.109 3.960 0.000 0.000 0.174 110 G C 0.566 175.238 174.900 -0.380 0.000 1.370 110 G CA -0.231 44.291 45.100 -0.963 0.000 1.040 110 G HN 0.248 nan 8.290 nan 0.000 0.582 111 K N -0.032 120.349 120.400 -0.033 0.000 2.099 111 K HA 0.112 4.432 4.320 0.000 0.000 0.203 111 K C 1.809 178.556 176.600 0.244 0.000 1.047 111 K CA 0.190 56.540 56.287 0.105 0.000 0.963 111 K CB -0.865 31.672 32.500 0.062 0.000 0.759 111 K HN 0.349 nan 8.250 nan 0.000 0.451 112 S N 2.023 117.933 115.700 0.351 0.000 2.537 112 S HA -0.140 4.331 4.470 0.000 0.000 0.280 112 S C 1.155 175.878 174.600 0.205 0.000 1.335 112 S CA 0.464 58.804 58.200 0.234 0.000 1.025 112 S CB 0.184 63.467 63.200 0.140 0.000 0.836 112 S HN 0.516 nan 8.310 nan 0.000 0.523 113 N N 2.801 121.560 118.700 0.097 0.000 2.512 113 N HA -0.090 4.651 4.740 0.000 0.000 0.183 113 N C 1.645 177.176 175.510 0.035 0.000 1.073 113 N CA 1.250 54.346 53.050 0.077 0.000 0.911 113 N CB -0.623 37.896 38.487 0.052 0.000 0.964 113 N HN 0.797 nan 8.380 nan 0.000 0.447 114 I N -2.978 117.555 120.570 -0.061 0.000 2.394 114 I HA -0.090 4.080 4.170 0.000 0.000 0.251 114 I C 1.211 177.212 176.117 -0.192 0.000 1.136 114 I CA 0.974 62.174 61.300 -0.166 0.000 1.425 114 I CB -0.468 37.368 38.000 -0.274 0.000 1.079 114 I HN -0.036 nan 8.210 nan 0.000 0.425 115 F N 1.907 121.902 119.950 0.075 0.000 2.206 115 F HA 0.072 4.599 4.527 0.000 0.000 0.298 115 F C 2.831 178.677 175.800 0.077 0.000 1.090 115 F CA 1.114 59.160 58.000 0.077 0.000 1.323 115 F CB -0.478 38.559 39.000 0.062 0.000 1.028 115 F HN 0.078 nan 8.300 nan 0.000 0.492 116 A N 0.310 123.265 122.820 0.225 0.000 1.930 116 A HA -0.171 4.149 4.320 0.000 0.000 0.217 116 A C 2.044 179.701 177.584 0.121 0.000 1.175 116 A CA 1.798 53.925 52.037 0.150 0.000 0.627 116 A CB -0.669 18.401 19.000 0.115 0.000 0.815 116 A HN 0.303 nan 8.150 nan 0.000 0.443 117 N N 0.214 118.970 118.700 0.094 0.000 2.171 117 N HA -0.143 4.597 4.740 0.000 0.000 0.184 117 N C 1.704 177.290 175.510 0.127 0.000 1.021 117 N CA 1.239 54.337 53.050 0.080 0.000 0.854 117 N CB -0.641 37.863 38.487 0.028 0.000 0.994 117 N HN 0.723 nan 8.380 nan 0.000 0.426 118 N N 1.133 119.908 118.700 0.125 0.000 2.166 118 N HA -0.202 4.539 4.740 0.000 0.000 0.186 118 N C 1.480 177.186 175.510 0.326 0.000 1.019 118 N CA 1.058 54.236 53.050 0.213 0.000 0.856 118 N CB 0.132 38.718 38.487 0.166 0.000 0.993 118 N HN 0.110 nan 8.380 nan 0.000 0.426 119 E N 0.968 121.303 120.200 0.224 0.000 2.047 119 E HA -0.015 4.336 4.350 0.000 0.000 0.191 119 E C 1.912 178.598 176.600 0.144 0.000 0.987 119 E CA 1.449 57.951 56.400 0.171 0.000 0.799 119 E CB -0.525 29.255 29.700 0.134 0.000 0.752 119 E HN 0.417 nan 8.360 nan 0.000 0.449 120 A N 0.256 123.161 122.820 0.141 0.000 1.917 120 A HA -0.204 4.116 4.320 0.000 0.000 0.219 120 A C 2.164 179.825 177.584 0.127 0.000 1.182 120 A CA 1.826 53.928 52.037 0.109 0.000 0.633 120 A CB -1.422 17.638 19.000 0.101 0.000 0.819 120 A HN 0.653 nan 8.150 nan 0.000 0.448 121 W N 0.807 122.106 121.300 -0.001 0.000 2.354 121 W HA -0.200 4.460 4.660 0.000 0.000 0.315 121 W C 2.328 178.841 176.519 -0.010 0.000 1.206 121 W CA 2.038 59.367 57.345 -0.026 0.000 1.290 121 W CB -0.380 29.069 29.460 -0.018 0.000 1.152 121 W HN 0.273 nan 8.180 nan 0.000 0.489 122 R N -0.225 120.203 120.500 -0.120 0.000 2.103 122 R HA -0.230 4.110 4.340 0.000 0.000 0.242 122 R C 2.297 178.491 176.300 -0.176 0.000 1.142 122 R CA 1.818 57.776 56.100 -0.236 0.000 0.960 122 R CB -0.772 29.503 30.300 -0.042 0.000 0.858 122 R HN 0.235 nan 8.270 nan 0.000 0.439 123 Q N 0.627 120.372 119.800 -0.092 0.000 2.020 123 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 123 Q C 2.026 177.947 176.000 -0.131 0.000 0.982 123 Q CA 1.484 57.244 55.803 -0.072 0.000 0.838 123 Q CB -0.356 28.368 28.738 -0.023 0.000 0.899 123 Q HN 0.217 nan 8.270 nan 0.000 0.423 124 E N 0.017 120.124 120.200 -0.155 0.000 2.085 124 E HA -0.139 4.211 4.350 0.000 0.000 0.194 124 E C 1.779 178.192 176.600 -0.312 0.000 0.994 124 E CA 1.144 57.439 56.400 -0.176 0.000 0.801 124 E CB -0.067 29.562 29.700 -0.118 0.000 0.743 124 E HN 0.161 nan 8.360 nan 0.000 0.453 125 M N -0.304 118.956 119.600 -0.568 0.000 2.099 125 M HA -0.085 4.396 4.480 0.000 0.000 0.262 125 M C 2.426 178.408 176.300 -0.531 0.000 1.067 125 M CA 1.233 55.990 55.300 -0.905 0.000 1.124 125 M CB -1.039 30.420 32.600 -1.902 0.000 1.353 125 M HN 0.187 nan 8.290 nan 0.000 0.410 126 L N -0.193 120.848 121.223 -0.303 0.000 2.131 126 L HA -0.210 4.130 4.340 0.000 0.000 0.210 126 L C 2.596 179.419 176.870 -0.078 0.000 1.092 126 L CA 1.169 55.954 54.840 -0.092 0.000 0.759 126 L CB -0.616 41.452 42.059 0.016 0.000 0.903 126 L HN 0.345 nan 8.230 nan 0.000 0.435 127 K N -0.020 120.319 120.400 -0.103 0.000 2.097 127 K HA -0.196 4.124 4.320 0.000 0.000 0.205 127 K C 2.054 178.613 176.600 -0.070 0.000 1.050 127 K CA 1.335 57.580 56.287 -0.070 0.000 0.938 127 K CB 0.076 32.535 32.500 -0.069 0.000 0.718 127 K HN 0.380 nan 8.250 nan 0.000 0.442 128 Q N -0.441 119.295 119.800 -0.106 0.000 2.137 128 Q HA -0.063 4.278 4.340 0.000 0.000 0.198 128 Q C -0.242 175.730 176.000 -0.047 0.000 0.960 128 Q CA 0.830 56.586 55.803 -0.080 0.000 0.847 128 Q CB 0.395 29.068 28.738 -0.108 0.000 0.915 128 Q HN 0.156 nan 8.270 nan 0.000 0.448 129 D N -1.108 119.262 120.400 -0.049 0.000 2.470 129 D HA 0.087 4.727 4.640 0.000 0.000 0.233 129 D C -2.272 174.043 176.300 0.025 0.000 1.372 129 D CA -1.828 52.177 54.000 0.008 0.000 0.994 129 D CB 1.505 42.341 40.800 0.060 0.000 1.377 129 D HN -0.200 nan 8.370 nan 0.000 0.586 130 P HA -0.073 nan 4.420 nan 0.000 0.228 130 P C 0.445 177.790 177.300 0.075 0.000 1.151 130 P CA 0.683 63.812 63.100 0.048 0.000 0.770 130 P CB 0.596 32.316 31.700 0.033 0.000 0.786 131 E N -1.599 118.637 120.200 0.060 0.000 2.463 131 E HA 0.063 4.413 4.350 0.000 0.000 0.193 131 E C 1.326 177.937 176.600 0.018 0.000 1.041 131 E CA -0.486 55.941 56.400 0.046 0.000 0.879 131 E CB -0.687 29.023 29.700 0.018 0.000 0.997 131 E HN 0.237 nan 8.360 nan 0.000 0.478 132 F N 0.795 120.653 119.950 -0.154 0.000 2.063 132 F HA -0.297 4.230 4.527 0.000 0.000 0.298 132 F C 1.657 177.223 175.800 -0.390 0.000 1.109 132 F CA 1.822 59.619 58.000 -0.338 0.000 1.212 132 F CB -0.235 38.415 39.000 -0.583 0.000 0.973 132 F HN -0.023 nan 8.300 nan 0.000 0.480 133 F N 0.089 120.099 119.950 0.100 0.000 2.293 133 F HA -0.119 4.408 4.527 0.000 0.000 0.297 133 F C 2.237 178.033 175.800 -0.006 0.000 1.089 133 F CA 0.836 58.859 58.000 0.038 0.000 1.377 133 F CB -0.758 38.325 39.000 0.139 0.000 1.051 133 F HN -0.040 nan 8.300 nan 0.000 0.511 134 N N 0.405 119.186 118.700 0.134 0.000 2.166 134 N HA -0.176 4.564 4.740 0.000 0.000 0.186 134 N C 1.992 177.510 175.510 0.014 0.000 1.019 134 N CA 1.003 54.102 53.050 0.081 0.000 0.856 134 N CB -0.423 38.102 38.487 0.064 0.000 0.993 134 N HN 0.278 nan 8.380 nan 0.000 0.426 135 R N 0.514 120.976 120.500 -0.063 0.000 2.062 135 R HA -0.025 4.315 4.340 0.000 0.000 0.229 135 R C 2.210 178.441 176.300 -0.114 0.000 1.128 135 R CA 0.680 56.720 56.100 -0.100 0.000 0.960 135 R CB -0.381 29.823 30.300 -0.160 0.000 0.855 135 R HN 0.073 nan 8.270 nan 0.000 0.432 136 L N 0.905 122.010 121.223 -0.197 0.000 1.990 136 L HA -0.148 4.193 4.340 0.000 0.000 0.213 136 L C 2.298 179.185 176.870 0.028 0.000 1.072 136 L CA 2.308 57.069 54.840 -0.132 0.000 0.755 136 L CB -0.615 41.345 42.059 -0.164 0.000 0.889 136 L HN 0.276 nan 8.230 nan 0.000 0.432 137 A N -1.256 121.619 122.820 0.091 0.000 2.125 137 A HA -0.150 4.171 4.320 0.000 0.000 0.219 137 A C 1.233 178.865 177.584 0.080 0.000 1.156 137 A CA 1.760 53.871 52.037 0.123 0.000 0.671 137 A CB -0.799 18.290 19.000 0.149 0.000 0.794 137 A HN 0.696 nan 8.150 nan 0.000 0.459 138 N N -0.664 118.064 118.700 0.045 0.000 2.480 138 N HA 0.367 5.107 4.740 0.000 0.000 0.281 138 N C 0.448 175.969 175.510 0.018 0.000 1.381 138 N CA 0.275 53.346 53.050 0.034 0.000 0.903 138 N CB 1.010 39.513 38.487 0.028 0.000 1.274 138 N HN 0.353 nan 8.380 nan 0.000 0.505 139 G N -0.105 108.707 108.800 0.020 0.000 2.621 139 G HA2 0.212 4.172 3.960 0.000 0.000 0.271 139 G HA3 0.212 4.172 3.960 0.000 0.000 0.271 139 G C -0.165 174.750 174.900 0.025 0.000 1.236 139 G CA -0.334 44.773 45.100 0.011 0.000 0.958 139 G HN 0.179 nan 8.290 nan 0.000 0.512 140 Q N -0.579 119.235 119.800 0.024 0.000 2.221 140 Q HA 0.393 4.733 4.340 0.000 0.000 0.242 140 Q C 0.115 176.139 176.000 0.040 0.000 0.940 140 Q CA -0.481 55.339 55.803 0.029 0.000 0.896 140 Q CB 1.426 30.180 28.738 0.026 0.000 1.226 140 Q HN 0.432 nan 8.270 nan 0.000 0.463 141 S N 2.819 118.539 115.700 0.033 0.000 2.566 141 S HA 0.101 4.571 4.470 0.000 0.000 0.280 141 S C -2.028 172.599 174.600 0.045 0.000 1.343 141 S CA -0.792 57.427 58.200 0.032 0.000 1.036 141 S CB 0.010 63.209 63.200 -0.001 0.000 0.866 141 S HN 0.421 nan 8.310 nan 0.000 0.526 142 P HA 0.219 nan 4.420 nan 0.000 0.276 142 P C -0.349 176.987 177.300 0.060 0.000 1.230 142 P CA -0.189 62.975 63.100 0.108 0.000 0.776 142 P CB 0.747 32.551 31.700 0.174 0.000 0.888 143 E N 1.088 121.345 120.200 0.094 0.000 2.489 143 E HA 0.058 4.408 4.350 0.000 0.000 0.204 143 E C -0.360 176.153 176.600 -0.146 0.000 1.006 143 E CA 0.191 56.560 56.400 -0.052 0.000 0.936 143 E CB 0.184 29.838 29.700 -0.077 0.000 1.002 143 E HN 0.517 nan 8.360 nan 0.000 0.488 144 Y N 0.510 120.895 120.300 0.141 0.000 2.446 144 Y HA 0.382 4.932 4.550 0.000 0.000 0.345 144 Y C -0.304 175.738 175.900 0.236 0.000 0.984 144 Y CA -0.773 57.445 58.100 0.196 0.000 1.058 144 Y CB 1.708 40.289 38.460 0.203 0.000 1.220 144 Y HN -0.088 nan 8.280 nan 0.000 0.455 145 L N 4.314 125.780 121.223 0.405 0.000 2.296 145 L HA 0.418 4.759 4.340 0.000 0.000 0.286 145 L C -1.504 175.638 176.870 0.453 0.000 1.023 145 L CA -0.565 54.526 54.840 0.418 0.000 0.812 145 L CB 1.065 43.312 42.059 0.313 0.000 1.223 145 L HN 0.790 nan 8.230 nan 0.000 0.421 146 W N 7.977 129.394 121.300 0.196 0.000 2.475 146 W HA 0.462 5.122 4.660 0.000 0.000 0.320 146 W C -1.830 174.754 176.519 0.110 0.000 1.022 146 W CA -0.894 56.522 57.345 0.119 0.000 1.240 146 W CB 1.525 31.010 29.460 0.041 0.000 1.328 146 W HN 0.328 nan 8.180 nan 0.000 0.439 147 I N 6.973 127.584 120.570 0.068 0.000 2.330 147 I HA 0.433 4.603 4.170 0.000 0.000 0.286 147 I C 0.773 176.812 176.117 -0.130 0.000 1.025 147 I CA -0.047 61.307 61.300 0.089 0.000 1.197 147 I CB 0.857 38.932 38.000 0.125 0.000 1.358 147 I HN 0.438 nan 8.210 nan 0.000 0.467 148 G N 4.179 113.007 108.800 0.047 0.000 3.108 148 G HA2 0.497 4.457 3.960 0.000 0.000 0.268 148 G HA3 0.497 4.457 3.960 0.000 0.000 0.268 148 G C -1.438 173.464 174.900 0.005 0.000 1.361 148 G CA -0.483 44.650 45.100 0.055 0.000 1.047 148 G HN 0.561 nan 8.290 nan 0.000 0.540 149 C N -0.316 118.985 119.300 0.002 0.000 2.370 149 C HA 0.649 5.109 4.460 0.000 0.000 0.354 149 C C 2.036 176.919 174.990 -0.179 0.000 1.218 149 C CA 0.253 59.235 59.018 -0.059 0.000 2.154 149 C CB 0.770 28.535 27.740 0.042 0.000 2.391 149 C HN 0.969 nan 8.230 nan 0.000 0.540 150 A N 2.462 125.096 122.820 -0.309 0.000 2.019 150 A HA -0.057 4.263 4.320 0.000 0.000 0.219 150 A C 0.866 177.978 177.584 -0.785 0.000 1.164 150 A CA 1.822 53.470 52.037 -0.648 0.000 0.644 150 A CB -0.574 17.820 19.000 -1.010 0.000 0.805 150 A HN 0.987 nan 8.150 nan 0.000 0.449 151 D N -0.246 119.932 120.400 -0.371 0.000 3.110 151 D HA 0.370 5.010 4.640 0.000 0.000 0.254 151 D C -0.425 175.818 176.300 -0.096 0.000 1.283 151 D CA -0.048 53.974 54.000 0.037 0.000 0.944 151 D CB 0.287 41.369 40.800 0.469 0.000 1.066 151 D HN -0.004 nan 8.370 nan 0.000 0.496 152 S N 0.249 115.830 115.700 -0.198 0.000 2.437 152 S HA 0.270 4.741 4.470 0.000 0.000 0.305 152 S C 0.892 175.462 174.600 -0.051 0.000 1.109 152 S CA -0.942 57.123 58.200 -0.224 0.000 1.099 152 S CB 1.429 64.501 63.200 -0.214 0.000 1.004 152 S HN 0.300 nan 8.310 nan 0.000 0.475 153 R N 1.303 121.823 120.500 0.033 0.000 2.319 153 R HA 0.183 4.523 4.340 0.000 0.000 0.204 153 R C -0.554 175.797 176.300 0.084 0.000 0.954 153 R CA 0.255 56.397 56.100 0.071 0.000 1.066 153 R CB 0.009 30.371 30.300 0.104 0.000 0.991 153 R HN 0.306 nan 8.270 nan 0.000 0.486 154 V N 1.391 121.352 119.914 0.079 0.000 2.612 154 V HA 0.255 4.375 4.120 0.000 0.000 0.301 154 V C -2.494 173.499 176.094 -0.168 0.000 1.059 154 V CA -2.416 59.882 62.300 -0.004 0.000 0.886 154 V CB 2.239 34.070 31.823 0.013 0.000 1.007 154 V HN -0.075 nan 8.190 nan 0.000 0.426 155 P HA 0.196 nan 4.420 nan 0.000 0.268 155 P C 0.867 177.812 177.300 -0.591 0.000 1.204 155 P CA 0.213 63.101 63.100 -0.355 0.000 0.768 155 P CB 1.071 32.599 31.700 -0.286 0.000 0.842 156 A N 4.568 126.886 122.820 -0.837 0.000 1.892 156 A HA -0.268 4.052 4.320 0.000 0.000 0.218 156 A C 1.950 178.911 177.584 -1.038 0.000 1.188 156 A CA 2.178 53.326 52.037 -1.481 0.000 0.631 156 A CB -1.346 16.477 19.000 -1.961 0.000 0.822 156 A HN 0.749 nan 8.150 nan 0.000 0.447 157 N N -0.323 117.972 118.700 -0.674 0.000 2.223 157 N HA -0.248 4.493 4.740 0.000 0.000 0.185 157 N C 1.764 176.955 175.510 -0.532 0.000 1.016 157 N CA 1.781 54.539 53.050 -0.486 0.000 0.863 157 N CB -0.506 37.797 38.487 -0.306 0.000 0.983 157 N HN 0.698 nan 8.380 nan 0.000 0.429 158 Q N 0.610 120.048 119.800 -0.604 0.000 2.016 158 Q HA 0.087 4.427 4.340 0.000 0.000 0.200 158 Q C 2.419 177.555 176.000 -1.440 0.000 0.978 158 Q CA 1.236 56.563 55.803 -0.794 0.000 0.833 158 Q CB -0.085 28.312 28.738 -0.567 0.000 0.895 158 Q HN 0.362 nan 8.270 nan 0.000 0.427 159 L N 0.083 120.550 121.223 -1.259 0.000 2.127 159 L HA -0.197 4.144 4.340 0.000 0.000 0.211 159 L C 1.867 178.321 176.870 -0.694 0.000 1.089 159 L CA 0.854 55.008 54.840 -1.143 0.000 0.757 159 L CB -0.218 41.409 42.059 -0.720 0.000 0.899 159 L HN 0.314 nan 8.230 nan 0.000 0.434 160 L N -0.906 119.948 121.223 -0.614 0.000 2.592 160 L HA 0.022 4.362 4.340 0.000 0.000 0.227 160 L C 0.366 177.046 176.870 -0.315 0.000 1.127 160 L CA -0.088 54.501 54.840 -0.419 0.000 0.884 160 L CB -0.233 41.542 42.059 -0.473 0.000 1.065 160 L HN 0.230 nan 8.230 nan 0.000 0.457 161 D N 0.916 121.093 120.400 -0.370 0.000 2.723 161 D HA -0.203 4.437 4.640 0.000 0.000 0.236 161 D C -0.540 175.678 176.300 -0.137 0.000 1.138 161 D CA 0.765 54.662 54.000 -0.172 0.000 0.676 161 D CB -0.923 39.888 40.800 0.019 0.000 1.069 161 D HN 0.165 nan 8.370 nan 0.000 0.430 162 L N -0.678 120.426 121.223 -0.200 0.000 2.323 162 L HA 0.639 4.979 4.340 0.000 0.000 0.265 162 L C -1.937 174.860 176.870 -0.123 0.000 1.012 162 L CA -2.228 52.531 54.840 -0.135 0.000 0.820 162 L CB 1.929 43.901 42.059 -0.146 0.000 1.334 162 L HN -0.182 nan 8.230 nan 0.000 0.427 163 P HA 0.071 nan 4.420 nan 0.000 0.269 163 P C -0.750 176.503 177.300 -0.079 0.000 1.209 163 P CA -0.214 62.843 63.100 -0.072 0.000 0.776 163 P CB 0.626 32.294 31.700 -0.053 0.000 0.876 164 A N 2.569 125.342 122.820 -0.078 0.000 2.520 164 A HA 0.404 4.725 4.320 0.000 0.000 0.235 164 A C 1.606 179.170 177.584 -0.034 0.000 1.065 164 A CA 0.802 52.798 52.037 -0.070 0.000 0.764 164 A CB -1.356 17.621 19.000 -0.039 0.000 1.002 164 A HN 0.869 nan 8.150 nan 0.000 0.502 165 G N 0.822 109.610 108.800 -0.020 0.000 2.205 165 G HA2 -0.295 3.666 3.960 0.000 0.000 0.261 165 G HA3 -0.295 3.666 3.960 0.000 0.000 0.261 165 G C 0.642 175.577 174.900 0.059 0.000 0.980 165 G CA 1.026 46.146 45.100 0.034 0.000 0.632 165 G HN 0.844 nan 8.290 nan 0.000 0.533 166 E N -0.596 119.621 120.200 0.028 0.000 2.489 166 E HA 0.380 4.730 4.350 0.000 0.000 0.193 166 E C 0.351 177.019 176.600 0.114 0.000 1.057 166 E CA 0.410 56.848 56.400 0.064 0.000 0.866 166 E CB 0.387 30.110 29.700 0.039 0.000 0.916 166 E HN 0.352 nan 8.360 nan 0.000 0.500 167 V N 1.450 121.410 119.914 0.077 0.000 2.483 167 V HA 0.238 4.359 4.120 0.000 0.000 0.297 167 V C -0.798 175.406 176.094 0.183 0.000 1.027 167 V CA -0.906 61.467 62.300 0.122 0.000 0.855 167 V CB 1.223 33.002 31.823 -0.073 0.000 0.995 167 V HN 0.026 nan 8.190 nan 0.000 0.424 168 F N 5.566 125.581 119.950 0.108 0.000 2.444 168 F HA 0.571 5.099 4.527 0.000 0.000 0.360 168 F C 0.022 175.904 175.800 0.138 0.000 1.106 168 F CA -0.186 57.880 58.000 0.110 0.000 1.170 168 F CB 1.018 40.102 39.000 0.139 0.000 1.113 168 F HN 0.267 nan 8.300 nan 0.000 0.521 169 V N 5.937 125.732 119.914 -0.198 0.000 2.513 169 V HA 0.294 4.414 4.120 0.000 0.000 0.299 169 V C -0.929 175.118 176.094 -0.078 0.000 1.035 169 V CA -0.780 61.482 62.300 -0.063 0.000 0.889 169 V CB 1.509 33.265 31.823 -0.111 0.000 0.988 169 V HN 0.687 nan 8.190 nan 0.000 0.440 170 H N 4.525 123.589 119.070 -0.011 0.000 2.529 170 H HA 0.717 5.273 4.556 0.000 0.000 0.348 170 H C -0.655 174.710 175.328 0.061 0.000 1.079 170 H CA -0.834 55.201 56.048 -0.022 0.000 1.198 170 H CB 1.280 31.071 29.762 0.049 0.000 1.521 170 H HN 0.620 nan 8.280 nan 0.000 0.514 171 R N 3.705 124.034 120.500 -0.284 0.000 2.621 171 R HA 0.360 4.701 4.340 0.000 0.000 0.284 171 R C -0.940 175.234 176.300 -0.209 0.000 0.998 171 R CA -1.044 54.928 56.100 -0.214 0.000 0.895 171 R CB 1.708 31.945 30.300 -0.105 0.000 1.195 171 R HN 0.903 nan 8.270 nan 0.000 0.450 172 N N 0.883 119.471 118.700 -0.186 0.000 3.243 172 N HA 0.270 5.010 4.740 0.000 0.000 0.280 172 N C -0.930 174.507 175.510 -0.121 0.000 1.545 172 N CA -0.884 52.086 53.050 -0.135 0.000 0.854 172 N CB 0.631 39.087 38.487 -0.052 0.000 1.612 172 N HN 0.238 nan 8.380 nan 0.000 0.577 173 I N 0.922 121.403 120.570 -0.149 0.000 2.505 173 I HA 0.267 4.437 4.170 0.000 0.000 0.287 173 I C 1.024 177.263 176.117 0.204 0.000 1.104 173 I CA 0.674 61.943 61.300 -0.051 0.000 1.387 173 I CB -0.562 37.324 38.000 -0.190 0.000 1.404 173 I HN 0.926 nan 8.210 nan 0.000 0.528 174 A N 6.458 129.331 122.820 0.087 0.000 2.872 174 A HA -0.242 4.078 4.320 0.000 0.000 0.273 174 A C 0.971 178.586 177.584 0.051 0.000 1.442 174 A CA 0.908 52.995 52.037 0.082 0.000 0.801 174 A CB -2.337 16.714 19.000 0.085 0.000 1.031 174 A HN 1.090 nan 8.150 nan 0.000 0.582 175 N N -1.813 116.907 118.700 0.033 0.000 2.698 175 N HA -0.243 4.497 4.740 0.000 0.000 0.258 175 N C -0.282 175.182 175.510 -0.076 0.000 0.978 175 N CA 1.470 54.503 53.050 -0.029 0.000 0.777 175 N CB -1.068 37.384 38.487 -0.059 0.000 0.907 175 N HN 0.808 nan 8.380 nan 0.000 0.543 176 Q N -0.252 119.526 119.800 -0.038 0.000 2.299 176 Q HA 0.310 4.650 4.340 0.000 0.000 0.246 176 Q C 0.071 175.838 176.000 -0.389 0.000 0.935 176 Q CA -0.103 55.571 55.803 -0.214 0.000 0.887 176 Q CB 1.583 30.134 28.738 -0.313 0.000 1.223 176 Q HN 0.487 nan 8.270 nan 0.000 0.439 177 C N 3.415 122.332 119.300 -0.638 0.000 3.414 177 C HA 0.419 4.879 4.460 0.000 0.000 0.208 177 C C 0.423 174.864 174.990 -0.914 0.000 1.422 177 C CA -0.749 57.524 59.018 -1.242 0.000 1.437 177 C CB -1.007 26.079 27.740 -1.089 0.000 1.850 177 C HN 0.653 nan 8.230 nan 0.000 0.481 178 I N 1.719 121.875 120.570 -0.689 0.000 2.618 178 I HA 0.024 4.194 4.170 0.000 0.000 0.284 178 I C 1.668 177.687 176.117 -0.163 0.000 1.146 178 I CA 0.245 61.203 61.300 -0.570 0.000 1.425 178 I CB 0.610 38.158 38.000 -0.752 0.000 1.383 178 I HN 0.633 nan 8.210 nan 0.000 0.562 179 H N 2.777 121.827 119.070 -0.034 0.000 2.325 179 H HA -0.205 4.352 4.556 0.000 0.000 0.293 179 H C 1.778 177.181 175.328 0.124 0.000 1.106 179 H CA 2.092 58.194 56.048 0.090 0.000 1.247 179 H CB -0.040 29.761 29.762 0.065 0.000 1.359 179 H HN 0.715 nan 8.280 nan 0.000 0.488 180 S N 0.025 115.858 115.700 0.222 0.000 2.582 180 S HA 0.030 4.500 4.470 0.000 0.000 0.234 180 S C 0.051 174.756 174.600 0.175 0.000 0.961 180 S CA -0.307 57.998 58.200 0.174 0.000 0.953 180 S CB 0.238 63.528 63.200 0.151 0.000 0.800 180 S HN 0.225 nan 8.310 nan 0.000 0.471 181 D N 1.711 122.235 120.400 0.206 0.000 2.352 181 D HA 0.225 4.865 4.640 0.000 0.000 0.245 181 D C 0.727 177.161 176.300 0.223 0.000 1.224 181 D CA -0.491 53.663 54.000 0.256 0.000 0.879 181 D CB 0.469 41.447 40.800 0.296 0.000 1.057 181 D HN 0.157 nan 8.370 nan 0.000 0.491 182 I N 3.270 123.952 120.570 0.187 0.000 2.493 182 I HA -0.150 4.020 4.170 0.000 0.000 0.254 182 I C 1.985 178.027 176.117 -0.126 0.000 1.160 182 I CA 0.954 62.309 61.300 0.093 0.000 1.445 182 I CB -0.051 38.095 38.000 0.244 0.000 1.086 182 I HN 0.434 nan 8.210 nan 0.000 0.433 183 S N -0.103 115.573 115.700 -0.040 0.000 2.383 183 S HA -0.217 4.254 4.470 0.000 0.000 0.227 183 S C 2.054 176.408 174.600 -0.411 0.000 1.026 183 S CA 1.512 59.461 58.200 -0.418 0.000 0.981 183 S CB -0.628 62.644 63.200 0.119 0.000 0.818 183 S HN 0.587 nan 8.310 nan 0.000 0.472 184 F N 2.150 121.999 119.950 -0.168 0.000 2.118 184 F HA 0.192 4.719 4.527 0.000 0.000 0.293 184 F C 1.702 177.359 175.800 -0.239 0.000 1.102 184 F CA 1.159 59.046 58.000 -0.188 0.000 1.247 184 F CB -0.767 38.282 39.000 0.082 0.000 1.017 184 F HN 0.171 nan 8.300 nan 0.000 0.475 185 L N 0.632 121.412 121.223 -0.739 0.000 2.079 185 L HA -0.229 4.111 4.340 0.000 0.000 0.210 185 L C 2.776 179.352 176.870 -0.491 0.000 1.081 185 L CA 1.663 56.079 54.840 -0.707 0.000 0.752 185 L CB -1.105 40.757 42.059 -0.328 0.000 0.896 185 L HN 0.406 nan 8.230 nan 0.000 0.433 186 S N -1.132 114.280 115.700 -0.480 0.000 2.387 186 S HA -0.098 4.372 4.470 0.000 0.000 0.226 186 S C 1.914 176.297 174.600 -0.363 0.000 1.026 186 S CA 0.869 58.809 58.200 -0.433 0.000 0.972 186 S CB -0.638 62.145 63.200 -0.695 0.000 0.814 186 S HN 0.155 nan 8.310 nan 0.000 0.477 187 V N 1.916 121.548 119.914 -0.471 0.000 2.358 187 V HA -0.056 4.064 4.120 0.000 0.000 0.246 187 V C 2.492 178.576 176.094 -0.016 0.000 1.047 187 V CA 1.578 63.751 62.300 -0.211 0.000 1.035 187 V CB -0.729 30.839 31.823 -0.425 0.000 0.658 187 V HN 0.477 nan 8.190 nan 0.000 0.452 188 L N -0.366 120.721 121.223 -0.226 0.000 1.994 188 L HA -0.270 4.071 4.340 0.000 0.000 0.208 188 L C 2.642 179.444 176.870 -0.112 0.000 1.071 188 L CA 2.280 57.009 54.840 -0.185 0.000 0.745 188 L CB -0.350 41.437 42.059 -0.453 0.000 0.892 188 L HN 0.419 nan 8.230 nan 0.000 0.431 189 Q N -1.417 118.305 119.800 -0.129 0.000 2.124 189 Q HA -0.288 4.052 4.340 0.000 0.000 0.202 189 Q C 2.123 178.165 176.000 0.069 0.000 0.977 189 Q CA 1.891 57.666 55.803 -0.046 0.000 0.850 189 Q CB -0.255 28.462 28.738 -0.034 0.000 0.901 189 Q HN 0.536 nan 8.270 nan 0.000 0.429 190 Y N 0.136 120.426 120.300 -0.016 0.000 2.145 190 Y HA -0.198 4.352 4.550 0.000 0.000 0.286 190 Y C 2.096 177.943 175.900 -0.087 0.000 1.145 190 Y CA 1.679 59.786 58.100 0.013 0.000 1.148 190 Y CB -0.527 37.880 38.460 -0.089 0.000 0.981 190 Y HN 0.213 nan 8.280 nan 0.000 0.507 191 A N -0.735 122.058 122.820 -0.045 0.000 1.883 191 A HA -0.181 4.139 4.320 0.000 0.000 0.217 191 A C 2.300 179.771 177.584 -0.188 0.000 1.186 191 A CA 2.326 54.229 52.037 -0.224 0.000 0.624 191 A CB -1.310 17.698 19.000 0.014 0.000 0.822 191 A HN 0.342 nan 8.150 nan 0.000 0.444 192 V N -0.995 118.845 119.914 -0.123 0.000 2.346 192 V HA -0.207 3.913 4.120 0.000 0.000 0.244 192 V C 2.620 178.626 176.094 -0.146 0.000 1.037 192 V CA 2.217 64.437 62.300 -0.132 0.000 1.029 192 V CB -0.721 31.023 31.823 -0.131 0.000 0.663 192 V HN 0.585 nan 8.190 nan 0.000 0.454 193 Q N -1.724 117.996 119.800 -0.133 0.000 2.165 193 Q HA 0.014 4.355 4.340 0.000 0.000 0.197 193 Q C 2.023 177.868 176.000 -0.258 0.000 0.952 193 Q CA 1.423 57.120 55.803 -0.177 0.000 0.848 193 Q CB -0.153 28.485 28.738 -0.166 0.000 0.931 193 Q HN 0.699 nan 8.270 nan 0.000 0.470 194 Y N -0.253 119.824 120.300 -0.373 0.000 2.177 194 Y HA -0.022 4.528 4.550 0.000 0.000 0.291 194 Y C 1.742 177.359 175.900 -0.471 0.000 1.117 194 Y CA 0.955 58.755 58.100 -0.499 0.000 1.114 194 Y CB 0.067 37.943 38.460 -0.974 0.000 1.017 194 Y HN -0.004 nan 8.280 nan 0.000 0.505 195 L N -0.330 120.663 121.223 -0.383 0.000 2.395 195 L HA -0.073 4.267 4.340 0.000 0.000 0.218 195 L C 0.334 177.074 176.870 -0.216 0.000 1.130 195 L CA 0.511 55.157 54.840 -0.323 0.000 0.826 195 L CB -0.263 41.529 42.059 -0.445 0.000 0.941 195 L HN 0.112 nan 8.230 nan 0.000 0.451 196 K N 0.254 120.535 120.400 -0.198 0.000 3.150 196 K HA -0.148 4.172 4.320 0.000 0.000 0.267 196 K C -0.239 176.267 176.600 -0.156 0.000 1.028 196 K CA 0.260 56.452 56.287 -0.158 0.000 0.753 196 K CB -2.395 30.024 32.500 -0.135 0.000 1.288 196 K HN 0.095 nan 8.250 nan 0.000 0.473 197 V N 1.322 121.138 119.914 -0.163 0.000 2.763 197 V HA -0.045 4.075 4.120 0.000 0.000 0.306 197 V C 1.635 177.611 176.094 -0.198 0.000 1.059 197 V CA 0.522 62.730 62.300 -0.152 0.000 1.138 197 V CB 0.908 32.672 31.823 -0.098 0.000 0.940 197 V HN 0.255 nan 8.190 nan 0.000 0.489 198 K N 3.407 123.617 120.400 -0.316 0.000 2.284 198 K HA 0.185 4.505 4.320 0.000 0.000 0.198 198 K C 0.161 176.333 176.600 -0.714 0.000 1.048 198 K CA 0.761 56.728 56.287 -0.533 0.000 0.987 198 K CB 0.071 32.141 32.500 -0.716 0.000 0.800 198 K HN 0.813 nan 8.250 nan 0.000 0.486 199 H N -1.067 117.875 119.070 -0.212 0.000 2.771 199 H HA 0.470 5.026 4.556 0.000 0.000 0.361 199 H C -0.807 174.539 175.328 0.030 0.000 1.108 199 H CA -0.568 55.406 56.048 -0.123 0.000 1.201 199 H CB 2.115 31.679 29.762 -0.330 0.000 1.681 199 H HN -0.173 nan 8.280 nan 0.000 0.534 200 I N 3.581 124.286 120.570 0.224 0.000 2.433 200 I HA 0.292 4.462 4.170 0.000 0.000 0.292 200 I C -0.897 175.343 176.117 0.206 0.000 1.001 200 I CA -0.520 60.907 61.300 0.212 0.000 1.119 200 I CB 1.610 39.691 38.000 0.136 0.000 1.289 200 I HN 0.265 nan 8.210 nan 0.000 0.438 201 L N 6.630 127.960 121.223 0.178 0.000 2.362 201 L HA 0.577 4.918 4.340 0.000 0.000 0.275 201 L C -0.824 175.925 176.870 -0.201 0.000 0.998 201 L CA -0.907 53.931 54.840 -0.003 0.000 0.820 201 L CB 2.219 44.259 42.059 -0.031 0.000 1.270 201 L HN 0.251 nan 8.230 nan 0.000 0.415 202 V N 2.314 122.093 119.914 -0.225 0.000 2.347 202 V HA 0.298 4.418 4.120 0.000 0.000 0.280 202 V C -0.400 175.454 176.094 -0.400 0.000 1.021 202 V CA -0.525 61.610 62.300 -0.275 0.000 0.847 202 V CB 1.594 33.332 31.823 -0.142 0.000 0.990 202 V HN 0.860 nan 8.190 nan 0.000 0.444 203 C N 4.952 123.895 119.300 -0.594 0.000 2.345 203 C HA 0.916 5.376 4.460 0.000 0.000 0.323 203 C C 0.701 175.572 174.990 -0.199 0.000 1.276 203 C CA -0.039 58.677 59.018 -0.503 0.000 1.543 203 C CB 0.073 27.222 27.740 -0.984 0.000 2.211 203 C HN 1.036 nan 8.230 nan 0.000 0.493 204 G N 3.238 111.974 108.800 -0.107 0.000 2.597 204 G HA2 0.789 4.749 3.960 0.000 0.000 0.317 204 G HA3 0.789 4.749 3.960 0.000 0.000 0.317 204 G C -1.359 173.497 174.900 -0.074 0.000 1.230 204 G CA -0.504 44.563 45.100 -0.055 0.000 0.996 204 G HN 1.081 nan 8.290 nan 0.000 0.490 205 H N -2.497 116.372 119.070 -0.336 0.000 2.894 205 H HA 0.520 5.076 4.556 0.000 0.000 0.367 205 H C -1.484 173.602 175.328 -0.403 0.000 1.144 205 H CA -1.124 54.580 56.048 -0.572 0.000 1.180 205 H CB 1.020 30.406 29.762 -0.627 0.000 1.758 205 H HN 0.479 nan 8.280 nan 0.000 0.541 206 Y N 1.412 121.525 120.300 -0.311 0.000 2.578 206 Y HA 0.245 4.795 4.550 0.000 0.000 0.339 206 Y C 1.788 177.523 175.900 -0.276 0.000 1.231 206 Y CA 1.185 59.139 58.100 -0.243 0.000 1.461 206 Y CB 0.849 39.228 38.460 -0.135 0.000 1.323 206 Y HN 1.171 nan 8.280 nan 0.000 0.590 207 G N 0.628 109.402 108.800 -0.043 0.000 2.179 207 G HA2 -0.365 3.596 3.960 0.000 0.000 0.260 207 G HA3 -0.365 3.596 3.960 0.000 0.000 0.260 207 G C 0.245 175.051 174.900 -0.157 0.000 0.977 207 G CA -0.267 44.795 45.100 -0.064 0.000 0.641 207 G HN 0.884 nan 8.290 nan 0.000 0.533 208 C N 1.899 120.948 119.300 -0.419 0.000 2.409 208 C HA 0.405 4.865 4.460 0.000 0.000 0.398 208 C C 2.396 177.338 174.990 -0.080 0.000 1.507 208 C CA 1.010 59.775 59.018 -0.421 0.000 1.460 208 C CB -0.669 26.794 27.740 -0.462 0.000 2.472 208 C HN 1.067 nan 8.230 nan 0.000 0.614 209 G N 4.813 113.646 108.800 0.054 0.000 2.450 209 G HA2 -0.063 3.898 3.960 0.000 0.000 0.220 209 G HA3 -0.063 3.898 3.960 0.000 0.000 0.220 209 G C 1.541 176.466 174.900 0.042 0.000 1.130 209 G CA 1.000 46.166 45.100 0.110 0.000 0.760 209 G HN 1.029 nan 8.290 nan 0.000 0.557 210 G N 1.031 109.810 108.800 -0.035 0.000 2.404 210 G HA2 0.080 4.040 3.960 0.000 0.000 0.215 210 G HA3 0.080 4.040 3.960 0.000 0.000 0.215 210 G C 2.057 176.964 174.900 0.010 0.000 1.174 210 G CA 1.431 46.505 45.100 -0.044 0.000 0.780 210 G HN 0.598 nan 8.290 nan 0.000 0.537 211 A N 0.543 123.358 122.820 -0.009 0.000 1.933 211 A HA 0.002 4.323 4.320 0.000 0.000 0.218 211 A C 2.207 179.790 177.584 -0.002 0.000 1.175 211 A CA 2.116 54.146 52.037 -0.011 0.000 0.628 211 A CB -0.388 18.587 19.000 -0.041 0.000 0.814 211 A HN 0.399 nan 8.150 nan 0.000 0.444 212 K N -0.378 120.022 120.400 0.001 0.000 2.057 212 K HA -0.050 4.270 4.320 0.000 0.000 0.206 212 K C 2.152 178.762 176.600 0.017 0.000 1.050 212 K CA 1.103 57.396 56.287 0.010 0.000 0.935 212 K CB -0.301 32.209 32.500 0.018 0.000 0.715 212 K HN 0.369 nan 8.250 nan 0.000 0.439 213 A N 1.037 123.878 122.820 0.035 0.000 1.933 213 A HA -0.094 4.226 4.320 0.000 0.000 0.218 213 A C 2.291 179.884 177.584 0.016 0.000 1.175 213 A CA 1.758 53.813 52.037 0.029 0.000 0.628 213 A CB -0.740 18.306 19.000 0.076 0.000 0.814 213 A HN 0.461 nan 8.150 nan 0.000 0.444 214 A N -0.594 122.240 122.820 0.025 0.000 1.978 214 A HA -0.030 4.290 4.320 0.000 0.000 0.220 214 A C 2.123 179.710 177.584 0.004 0.000 1.170 214 A CA 1.600 53.648 52.037 0.019 0.000 0.636 214 A CB -0.407 18.605 19.000 0.019 0.000 0.810 214 A HN 0.489 nan 8.150 nan 0.000 0.448 215 L N -2.222 119.002 121.223 0.001 0.000 2.221 215 L HA 0.129 4.469 4.340 0.000 0.000 0.202 215 L C 2.301 179.166 176.870 -0.007 0.000 1.074 215 L CA 0.872 55.709 54.840 -0.003 0.000 0.795 215 L CB -0.197 41.861 42.059 -0.002 0.000 0.960 215 L HN 0.462 nan 8.230 nan 0.000 0.458 216 G N -1.206 107.589 108.800 -0.008 0.000 3.393 216 G HA2 0.127 4.087 3.960 0.000 0.000 0.255 216 G HA3 0.127 4.087 3.960 0.000 0.000 0.255 216 G C -0.173 174.712 174.900 -0.025 0.000 1.097 216 G CA -0.121 44.970 45.100 -0.014 0.000 0.780 216 G HN 0.150 nan 8.290 nan 0.000 0.540 217 D N 0.106 120.488 120.400 -0.030 0.000 2.756 217 D HA 0.466 5.106 4.640 0.000 0.000 0.226 217 D C -0.599 175.676 176.300 -0.043 0.000 1.186 217 D CA -0.189 53.780 54.000 -0.052 0.000 0.845 217 D CB 2.245 42.989 40.800 -0.094 0.000 1.610 217 D HN 0.212 nan 8.370 nan 0.000 0.465 218 S N -0.040 115.635 115.700 -0.042 0.000 2.740 218 S HA 0.615 5.085 4.470 0.000 0.000 0.300 218 S C 0.028 174.617 174.600 -0.019 0.000 1.147 218 S CA -0.862 57.324 58.200 -0.023 0.000 0.871 218 S CB 2.373 65.566 63.200 -0.013 0.000 1.173 218 S HN 0.568 nan 8.310 nan 0.000 0.510 219 R N -0.300 120.202 120.500 0.003 0.000 3.525 219 R HA -0.115 4.225 4.340 0.000 0.000 0.276 219 R C 0.214 176.538 176.300 0.040 0.000 1.116 219 R CA 0.712 56.824 56.100 0.020 0.000 0.745 219 R CB -2.364 27.945 30.300 0.014 0.000 1.185 219 R HN 0.668 nan 8.270 nan 0.000 0.454 220 L N -0.533 120.716 121.223 0.043 0.000 2.591 220 L HA 0.098 4.439 4.340 0.000 0.000 0.228 220 L C 1.701 178.692 176.870 0.201 0.000 1.133 220 L CA 0.758 55.658 54.840 0.099 0.000 0.880 220 L CB -0.231 41.837 42.059 0.015 0.000 1.033 220 L HN 0.703 nan 8.230 nan 0.000 0.450 221 G N 0.512 109.385 108.800 0.122 0.000 2.512 221 G HA2 -0.339 3.621 3.960 0.000 0.000 0.254 221 G HA3 -0.339 3.621 3.960 0.000 0.000 0.254 221 G C 0.615 175.575 174.900 0.100 0.000 1.199 221 G CA 0.009 45.169 45.100 0.101 0.000 0.941 221 G HN 0.029 nan 8.290 nan 0.000 0.569 222 L N 0.883 122.153 121.223 0.078 0.000 2.011 222 L HA -0.121 4.219 4.340 0.000 0.000 0.225 222 L C 2.752 179.694 176.870 0.119 0.000 1.084 222 L CA 3.290 58.173 54.840 0.072 0.000 0.791 222 L CB -1.244 40.827 42.059 0.019 0.000 0.898 222 L HN 0.798 nan 8.230 nan 0.000 0.440 223 I N -0.270 120.386 120.570 0.143 0.000 2.567 223 I HA -0.288 3.882 4.170 0.000 0.000 0.257 223 I C 1.840 178.094 176.117 0.228 0.000 1.184 223 I CA 1.254 62.670 61.300 0.194 0.000 1.451 223 I CB -0.253 37.886 38.000 0.233 0.000 1.089 223 I HN 0.346 nan 8.210 nan 0.000 0.441 224 D N 0.896 121.398 120.400 0.170 0.000 2.219 224 D HA -0.144 4.496 4.640 0.000 0.000 0.205 224 D C 1.768 178.142 176.300 0.124 0.000 0.970 224 D CA 0.785 54.862 54.000 0.128 0.000 0.851 224 D CB -0.175 40.674 40.800 0.083 0.000 0.943 224 D HN 0.455 nan 8.370 nan 0.000 0.488 225 N N -0.284 118.504 118.700 0.147 0.000 2.270 225 N HA -0.132 4.608 4.740 0.000 0.000 0.181 225 N C 1.824 177.451 175.510 0.195 0.000 1.016 225 N CA 0.380 53.507 53.050 0.128 0.000 0.870 225 N CB -0.172 38.395 38.487 0.134 0.000 0.979 225 N HN 0.431 nan 8.380 nan 0.000 0.431 226 W N 2.300 123.654 121.300 0.090 0.000 2.379 226 W HA 0.000 4.660 4.660 0.000 0.000 0.307 226 W C 1.481 178.089 176.519 0.147 0.000 1.200 226 W CA 0.604 58.039 57.345 0.151 0.000 1.297 226 W CB -0.177 29.339 29.460 0.092 0.000 1.140 226 W HN -0.027 nan 8.180 nan 0.000 0.507 227 L N 1.147 122.536 121.223 0.277 0.000 2.450 227 L HA -0.175 4.165 4.340 0.000 0.000 0.224 227 L C 2.488 179.367 176.870 0.015 0.000 1.149 227 L CA 0.562 55.483 54.840 0.134 0.000 0.816 227 L CB -0.778 41.366 42.059 0.143 0.000 0.932 227 L HN -0.161 nan 8.230 nan 0.000 0.449 228 R N -0.463 120.010 120.500 -0.045 0.000 2.152 228 R HA -0.112 4.228 4.340 0.000 0.000 0.232 228 R C 2.042 178.210 176.300 -0.220 0.000 1.117 228 R CA 0.974 56.989 56.100 -0.141 0.000 0.981 228 R CB -0.711 29.468 30.300 -0.202 0.000 0.870 228 R HN 0.521 nan 8.270 nan 0.000 0.451 229 H N 0.018 119.000 119.070 -0.147 0.000 2.389 229 H HA 0.039 4.595 4.556 0.000 0.000 0.299 229 H C 2.153 177.394 175.328 -0.145 0.000 1.081 229 H CA 1.064 57.000 56.048 -0.188 0.000 1.345 229 H CB 0.080 29.638 29.762 -0.339 0.000 1.393 229 H HN 0.147 nan 8.280 nan 0.000 0.520 230 I N 0.516 121.076 120.570 -0.017 0.000 2.394 230 I HA -0.200 3.970 4.170 0.000 0.000 0.251 230 I C 2.514 178.617 176.117 -0.022 0.000 1.136 230 I CA 0.650 61.937 61.300 -0.022 0.000 1.425 230 I CB -0.074 37.922 38.000 -0.008 0.000 1.079 230 I HN 0.071 nan 8.210 nan 0.000 0.425 231 R N 0.766 121.247 120.500 -0.031 0.000 2.120 231 R HA -0.146 4.194 4.340 0.000 0.000 0.234 231 R C 1.636 177.915 176.300 -0.036 0.000 1.123 231 R CA 1.267 57.347 56.100 -0.033 0.000 0.975 231 R CB -0.661 29.614 30.300 -0.042 0.000 0.866 231 R HN 0.369 nan 8.270 nan 0.000 0.446 232 D N 0.069 120.442 120.400 -0.045 0.000 2.178 232 D HA -0.090 4.550 4.640 0.000 0.000 0.202 232 D C 1.961 178.250 176.300 -0.019 0.000 0.974 232 D CA 0.721 54.701 54.000 -0.034 0.000 0.841 232 D CB -0.003 40.779 40.800 -0.030 0.000 0.953 232 D HN -0.031 nan 8.370 nan 0.000 0.478 233 V N 0.630 120.534 119.914 -0.017 0.000 2.358 233 V HA -0.187 3.934 4.120 0.000 0.000 0.246 233 V C 2.517 178.613 176.094 0.003 0.000 1.047 233 V CA 1.416 63.712 62.300 -0.007 0.000 1.035 233 V CB -0.386 31.430 31.823 -0.012 0.000 0.658 233 V HN 0.129 nan 8.190 nan 0.000 0.452 234 R N -0.008 120.490 120.500 -0.004 0.000 2.092 234 R HA -0.164 4.177 4.340 0.000 0.000 0.231 234 R C 2.541 178.834 176.300 -0.012 0.000 1.119 234 R CA 1.664 57.763 56.100 -0.001 0.000 0.970 234 R CB -0.207 30.090 30.300 -0.006 0.000 0.864 234 R HN 0.445 nan 8.270 nan 0.000 0.440 235 R N 0.237 120.725 120.500 -0.019 0.000 2.070 235 R HA -0.107 4.233 4.340 0.000 0.000 0.233 235 R C 2.219 178.499 176.300 -0.034 0.000 1.137 235 R CA 2.004 58.087 56.100 -0.028 0.000 0.945 235 R CB -0.207 30.076 30.300 -0.028 0.000 0.845 235 R HN 0.219 nan 8.270 nan 0.000 0.430 236 M N 0.346 119.931 119.600 -0.025 0.000 2.358 236 M HA -0.096 4.385 4.480 0.000 0.000 0.264 236 M C 0.464 176.742 176.300 -0.037 0.000 1.064 236 M CA 1.180 56.463 55.300 -0.027 0.000 1.093 236 M CB 0.136 32.728 32.600 -0.013 0.000 1.401 236 M HN 0.157 nan 8.290 nan 0.000 0.440 237 N N -0.192 118.497 118.700 -0.018 0.000 2.401 237 N HA 0.268 5.008 4.740 0.000 0.000 0.264 237 N C 0.900 176.362 175.510 -0.079 0.000 1.238 237 N CA 0.104 53.146 53.050 -0.014 0.000 0.889 237 N CB 0.651 39.246 38.487 0.181 0.000 1.196 237 N HN 0.156 nan 8.380 nan 0.000 0.511 238 A N 2.229 124.987 122.820 -0.104 0.000 1.892 238 A HA -0.260 4.060 4.320 0.000 0.000 0.218 238 A C 2.215 179.719 177.584 -0.133 0.000 1.188 238 A CA 1.546 53.530 52.037 -0.089 0.000 0.631 238 A CB -0.353 18.599 19.000 -0.080 0.000 0.822 238 A HN 0.432 nan 8.150 nan 0.000 0.447 239 K N -1.214 119.027 120.400 -0.266 0.000 2.074 239 K HA -0.236 4.085 4.320 0.000 0.000 0.209 239 K C 1.842 178.304 176.600 -0.230 0.000 1.048 239 K CA 1.987 58.086 56.287 -0.314 0.000 0.926 239 K CB -0.703 31.505 32.500 -0.487 0.000 0.713 239 K HN 0.653 nan 8.250 nan 0.000 0.444 240 Y N 0.799 121.093 120.300 -0.009 0.000 2.286 240 Y HA -0.050 4.501 4.550 0.000 0.000 0.293 240 Y C 2.339 178.234 175.900 -0.008 0.000 1.124 240 Y CA -0.259 57.837 58.100 -0.008 0.000 1.178 240 Y CB 0.042 38.498 38.460 -0.006 0.000 1.010 240 Y HN -0.082 nan 8.280 nan 0.000 0.536 241 L N 0.243 121.535 121.223 0.115 0.000 2.044 241 L HA -0.161 4.179 4.340 0.000 0.000 0.205 241 L C 1.604 178.492 176.870 0.031 0.000 1.075 241 L CA 1.609 56.488 54.840 0.064 0.000 0.747 241 L CB -1.239 40.845 42.059 0.041 0.000 0.903 241 L HN 0.248 nan 8.230 nan 0.000 0.435 242 D N -0.278 120.127 120.400 0.007 0.000 2.263 242 D HA -0.198 4.442 4.640 0.000 0.000 0.208 242 D C 2.106 178.410 176.300 0.007 0.000 0.971 242 D CA 0.726 54.725 54.000 -0.002 0.000 0.867 242 D CB 0.061 40.849 40.800 -0.020 0.000 0.929 242 D HN 0.104 nan 8.370 nan 0.000 0.492 243 K N 0.477 120.890 120.400 0.022 0.000 2.148 243 K HA -0.028 4.292 4.320 0.000 0.000 0.204 243 K C 0.136 176.750 176.600 0.023 0.000 1.050 243 K CA 0.164 56.468 56.287 0.029 0.000 0.942 243 K CB -0.207 32.330 32.500 0.061 0.000 0.724 243 K HN 0.071 nan 8.250 nan 0.000 0.446 244 C N 2.579 121.894 119.300 0.025 0.000 2.611 244 C HA 0.023 4.483 4.460 0.000 0.000 0.416 244 C C 1.638 176.630 174.990 0.003 0.000 1.366 244 C CA -0.186 58.840 59.018 0.013 0.000 1.761 244 C CB 0.204 27.953 27.740 0.014 0.000 2.619 244 C HN 0.606 nan 8.230 nan 0.000 0.606 245 K N 1.649 122.047 120.400 -0.003 0.000 2.217 245 K HA -0.031 4.289 4.320 0.000 0.000 0.202 245 K C -0.040 176.555 176.600 -0.008 0.000 1.051 245 K CA 1.455 57.739 56.287 -0.006 0.000 0.952 245 K CB 0.010 32.505 32.500 -0.009 0.000 0.736 245 K HN 0.899 nan 8.250 nan 0.000 0.453 246 D N -2.774 117.620 120.400 -0.011 0.000 2.665 246 D HA 0.228 4.868 4.640 0.000 0.000 0.287 246 D C 0.738 177.031 176.300 -0.012 0.000 1.266 246 D CA -0.443 53.550 54.000 -0.012 0.000 0.830 246 D CB 0.453 41.244 40.800 -0.015 0.000 1.356 246 D HN -0.110 nan 8.370 nan 0.000 0.437 247 G N -0.438 108.355 108.800 -0.011 0.000 2.469 247 G HA2 -0.290 3.670 3.960 0.000 0.000 0.219 247 G HA3 -0.290 3.670 3.960 0.000 0.000 0.219 247 G C 0.826 175.717 174.900 -0.015 0.000 1.150 247 G CA 1.232 46.326 45.100 -0.011 0.000 0.763 247 G HN 0.553 nan 8.290 nan 0.000 0.561 248 D N 0.060 120.447 120.400 -0.022 0.000 2.117 248 D HA -0.069 4.571 4.640 0.000 0.000 0.198 248 D C 2.244 178.516 176.300 -0.047 0.000 0.982 248 D CA 1.186 55.166 54.000 -0.034 0.000 0.828 248 D CB -0.320 40.455 40.800 -0.042 0.000 0.967 248 D HN 0.570 nan 8.370 nan 0.000 0.464 249 E N 0.767 120.941 120.200 -0.043 0.000 2.110 249 E HA -0.200 4.150 4.350 0.000 0.000 0.193 249 E C 1.891 178.477 176.600 -0.023 0.000 0.988 249 E CA 0.939 57.312 56.400 -0.046 0.000 0.804 249 E CB 0.087 29.767 29.700 -0.035 0.000 0.745 249 E HN 0.253 nan 8.360 nan 0.000 0.458 250 E N 0.106 120.300 120.200 -0.011 0.000 2.152 250 E HA -0.136 4.214 4.350 0.000 0.000 0.192 250 E C 2.134 178.739 176.600 0.008 0.000 0.983 250 E CA 0.463 56.865 56.400 0.004 0.000 0.818 250 E CB 0.016 29.718 29.700 0.003 0.000 0.758 250 E HN 0.338 nan 8.360 nan 0.000 0.467 251 L N 0.883 122.106 121.223 0.001 0.000 2.044 251 L HA -0.155 4.186 4.340 0.000 0.000 0.205 251 L C 1.925 178.816 176.870 0.035 0.000 1.075 251 L CA 1.065 55.911 54.840 0.009 0.000 0.747 251 L CB -0.452 41.608 42.059 0.001 0.000 0.903 251 L HN 0.229 nan 8.230 nan 0.000 0.435 252 N N 0.450 119.164 118.700 0.024 0.000 2.036 252 N HA -0.277 4.463 4.740 0.000 0.000 0.195 252 N C 1.882 177.464 175.510 0.120 0.000 1.037 252 N CA 1.566 54.660 53.050 0.073 0.000 0.855 252 N CB -0.382 38.025 38.487 -0.134 0.000 1.033 252 N HN 0.251 nan 8.380 nan 0.000 0.423 253 R N 1.192 121.723 120.500 0.052 0.000 2.096 253 R HA 0.063 4.403 4.340 0.000 0.000 0.235 253 R C 2.287 178.617 176.300 0.050 0.000 1.127 253 R CA 0.682 56.812 56.100 0.051 0.000 0.968 253 R CB -0.571 29.751 30.300 0.037 0.000 0.861 253 R HN 0.215 nan 8.270 nan 0.000 0.440 254 L N 0.099 121.347 121.223 0.041 0.000 2.046 254 L HA -0.158 4.183 4.340 0.000 0.000 0.208 254 L C 2.121 178.999 176.870 0.013 0.000 1.077 254 L CA 1.675 56.531 54.840 0.027 0.000 0.747 254 L CB -0.261 41.807 42.059 0.015 0.000 0.896 254 L HN 0.338 nan 8.230 nan 0.000 0.432 255 I N -0.089 120.492 120.570 0.017 0.000 2.226 255 I HA -0.338 3.832 4.170 0.000 0.000 0.245 255 I C 2.373 178.472 176.117 -0.031 0.000 1.100 255 I CA 1.454 62.741 61.300 -0.023 0.000 1.374 255 I CB -0.197 37.783 38.000 -0.032 0.000 1.057 255 I HN 0.319 nan 8.210 nan 0.000 0.413 256 E N 0.647 120.860 120.200 0.022 0.000 2.072 256 E HA -0.191 4.159 4.350 0.000 0.000 0.191 256 E C 2.305 178.899 176.600 -0.009 0.000 0.985 256 E CA 1.107 57.513 56.400 0.010 0.000 0.801 256 E CB -0.106 29.632 29.700 0.062 0.000 0.750 256 E HN 0.446 nan 8.360 nan 0.000 0.452 257 L N 1.081 122.304 121.223 0.001 0.000 2.141 257 L HA -0.171 4.169 4.340 0.000 0.000 0.209 257 L C 2.354 179.218 176.870 -0.010 0.000 1.094 257 L CA 0.799 55.639 54.840 0.001 0.000 0.763 257 L CB -0.347 41.731 42.059 0.033 0.000 0.908 257 L HN 0.167 nan 8.230 nan 0.000 0.437 258 N N 0.058 118.745 118.700 -0.021 0.000 2.084 258 N HA -0.171 4.569 4.740 0.000 0.000 0.190 258 N C 1.739 177.214 175.510 -0.058 0.000 1.030 258 N CA 1.511 54.536 53.050 -0.043 0.000 0.849 258 N CB -0.187 38.271 38.487 -0.049 0.000 1.012 258 N HN 0.008 nan 8.380 nan 0.000 0.423 259 V N 1.020 120.898 119.914 -0.060 0.000 2.287 259 V HA -0.221 3.899 4.120 0.000 0.000 0.248 259 V C 2.464 178.533 176.094 -0.041 0.000 1.053 259 V CA 1.465 63.724 62.300 -0.069 0.000 1.027 259 V CB -0.649 31.128 31.823 -0.076 0.000 0.646 259 V HN 0.399 nan 8.190 nan 0.000 0.447 260 L N -0.474 120.738 121.223 -0.019 0.000 2.042 260 L HA -0.213 4.127 4.340 0.000 0.000 0.210 260 L C 2.678 179.568 176.870 0.033 0.000 1.076 260 L CA 1.746 56.593 54.840 0.011 0.000 0.749 260 L CB -0.317 41.747 42.059 0.008 0.000 0.893 260 L HN 0.371 nan 8.230 nan 0.000 0.432 261 E N -0.530 119.674 120.200 0.007 0.000 2.106 261 E HA -0.215 4.135 4.350 0.000 0.000 0.192 261 E C 2.193 178.795 176.600 0.004 0.000 0.984 261 E CA 1.017 57.423 56.400 0.011 0.000 0.806 261 E CB 0.060 29.742 29.700 -0.029 0.000 0.750 261 E HN 0.343 nan 8.360 nan 0.000 0.458 262 Q N -0.270 119.492 119.800 -0.064 0.000 2.119 262 Q HA -0.057 4.283 4.340 0.000 0.000 0.201 262 Q C 2.363 178.321 176.000 -0.070 0.000 0.972 262 Q CA 0.899 56.622 55.803 -0.135 0.000 0.847 262 Q CB -0.676 27.951 28.738 -0.185 0.000 0.903 262 Q HN 0.230 nan 8.270 nan 0.000 0.433 263 V N 1.417 121.326 119.914 -0.008 0.000 2.332 263 V HA -0.277 3.843 4.120 0.000 0.000 0.248 263 V C 2.479 178.619 176.094 0.077 0.000 1.055 263 V CA 2.057 64.380 62.300 0.038 0.000 1.038 263 V CB -0.793 31.066 31.823 0.060 0.000 0.651 263 V HN 0.514 nan 8.190 nan 0.000 0.450 264 H N 0.636 119.725 119.070 0.032 0.000 2.319 264 H HA -0.177 4.379 4.556 0.000 0.000 0.299 264 H C 2.251 177.626 175.328 0.077 0.000 1.092 264 H CA 2.177 58.267 56.048 0.070 0.000 1.302 264 H CB -0.027 29.773 29.762 0.064 0.000 1.373 264 H HN 0.401 nan 8.280 nan 0.000 0.497 265 N N 0.458 119.188 118.700 0.049 0.000 2.120 265 N HA -0.129 4.612 4.740 0.000 0.000 0.188 265 N C 2.315 177.845 175.510 0.033 0.000 1.024 265 N CA 1.252 54.304 53.050 0.003 0.000 0.852 265 N CB -0.638 37.733 38.487 -0.193 0.000 1.003 265 N HN 0.171 nan 8.380 nan 0.000 0.424 266 V N 0.820 120.754 119.914 0.033 0.000 2.287 266 V HA -0.277 3.844 4.120 0.000 0.000 0.248 266 V C 2.413 178.491 176.094 -0.027 0.000 1.053 266 V CA 1.366 63.740 62.300 0.122 0.000 1.027 266 V CB -0.687 31.200 31.823 0.106 0.000 0.646 266 V HN 0.379 nan 8.190 nan 0.000 0.447 267 C N 0.328 119.584 119.300 -0.073 0.000 2.435 267 C HA 0.012 4.472 4.460 0.000 0.000 0.279 267 C C 2.908 177.804 174.990 -0.157 0.000 1.321 267 C CA 0.546 59.476 59.018 -0.147 0.000 1.752 267 C CB -1.421 26.380 27.740 0.102 0.000 1.959 267 C HN 0.616 nan 8.230 nan 0.000 0.500 268 A N 0.572 123.307 122.820 -0.142 0.000 2.169 268 A HA 0.094 4.415 4.320 0.000 0.000 0.212 268 A C 1.295 178.866 177.584 -0.021 0.000 1.153 268 A CA 1.044 53.027 52.037 -0.090 0.000 0.756 268 A CB -0.796 18.126 19.000 -0.129 0.000 0.813 268 A HN 0.669 nan 8.150 nan 0.000 0.471 269 T N -1.429 113.116 114.554 -0.016 0.000 2.903 269 T HA 0.219 4.569 4.350 0.000 0.000 0.314 269 T C 1.325 175.984 174.700 -0.069 0.000 1.078 269 T CA 0.264 62.358 62.100 -0.009 0.000 1.114 269 T CB 0.928 69.775 68.868 -0.034 0.000 0.987 269 T HN 0.547 nan 8.240 nan 0.000 0.548 270 S N 2.077 117.745 115.700 -0.053 0.000 2.399 270 S HA -0.133 4.337 4.470 0.000 0.000 0.231 270 S C 1.929 176.471 174.600 -0.098 0.000 1.022 270 S CA 0.998 59.163 58.200 -0.059 0.000 0.983 270 S CB -0.929 62.248 63.200 -0.039 0.000 0.803 270 S HN 0.719 nan 8.310 nan 0.000 0.480 271 I N 1.467 121.961 120.570 -0.127 0.000 2.142 271 I HA -0.141 4.029 4.170 0.000 0.000 0.240 271 I C 2.469 178.447 176.117 -0.232 0.000 1.078 271 I CA 1.233 62.436 61.300 -0.161 0.000 1.343 271 I CB -0.549 37.345 38.000 -0.176 0.000 1.046 271 I HN 0.195 nan 8.210 nan 0.000 0.405 272 V N 0.081 119.802 119.914 -0.321 0.000 2.548 272 V HA -0.201 3.919 4.120 0.000 0.000 0.249 272 V C 2.465 178.202 176.094 -0.596 0.000 1.055 272 V CA 1.395 63.331 62.300 -0.606 0.000 1.065 272 V CB -0.642 30.727 31.823 -0.757 0.000 0.681 272 V HN 0.426 nan 8.190 nan 0.000 0.462 273 Q N -0.176 119.451 119.800 -0.288 0.000 2.079 273 Q HA -0.182 4.159 4.340 0.000 0.000 0.200 273 Q C 2.062 178.051 176.000 -0.018 0.000 0.974 273 Q CA 1.546 57.304 55.803 -0.075 0.000 0.840 273 Q CB -0.453 28.276 28.738 -0.014 0.000 0.898 273 Q HN 0.618 nan 8.270 nan 0.000 0.430 274 D N 0.575 120.936 120.400 -0.066 0.000 2.097 274 D HA -0.098 4.542 4.640 0.000 0.000 0.195 274 D C 1.786 178.072 176.300 -0.023 0.000 0.989 274 D CA 1.432 55.410 54.000 -0.036 0.000 0.827 274 D CB -0.177 40.590 40.800 -0.055 0.000 0.966 274 D HN 0.206 nan 8.370 nan 0.000 0.456 275 A N 0.933 123.702 122.820 -0.085 0.000 1.883 275 A HA -0.199 4.121 4.320 0.000 0.000 0.217 275 A C 2.087 179.736 177.584 0.108 0.000 1.186 275 A CA 1.279 53.283 52.037 -0.054 0.000 0.624 275 A CB -1.102 17.801 19.000 -0.162 0.000 0.822 275 A HN 0.254 nan 8.150 nan 0.000 0.444 276 W N 0.462 121.746 121.300 -0.028 0.000 2.363 276 W HA -0.055 4.605 4.660 0.000 0.000 0.296 276 W C 1.669 178.175 176.519 -0.022 0.000 1.212 276 W CA 1.031 58.362 57.345 -0.022 0.000 1.260 276 W CB -1.098 28.353 29.460 -0.014 0.000 1.131 276 W HN 0.392 nan 8.180 nan 0.000 0.530 277 D N -0.295 120.229 120.400 0.206 0.000 2.178 277 D HA -0.090 4.550 4.640 0.000 0.000 0.201 277 D C 2.036 178.377 176.300 0.067 0.000 0.980 277 D CA 1.713 55.776 54.000 0.106 0.000 0.842 277 D CB -0.630 40.211 40.800 0.067 0.000 0.948 277 D HN 0.028 nan 8.370 nan 0.000 0.472 278 A N -0.342 122.514 122.820 0.061 0.000 2.276 278 A HA 0.424 4.744 4.320 0.000 0.000 0.212 278 A C 1.644 179.251 177.584 0.038 0.000 1.230 278 A CA 0.810 52.866 52.037 0.031 0.000 0.844 278 A CB -0.481 18.524 19.000 0.008 0.000 0.860 278 A HN 0.212 nan 8.150 nan 0.000 0.486 279 G N -0.601 108.239 108.800 0.066 0.000 2.179 279 G HA2 -0.325 3.635 3.960 0.000 0.000 0.257 279 G HA3 -0.325 3.635 3.960 0.000 0.000 0.257 279 G C 0.152 175.087 174.900 0.059 0.000 1.010 279 G CA 0.543 45.675 45.100 0.052 0.000 0.736 279 G HN 0.897 nan 8.290 nan 0.000 0.513 280 Q N -0.099 119.757 119.800 0.093 0.000 2.314 280 Q HA 0.440 4.780 4.340 0.000 0.000 0.258 280 Q C 0.241 176.310 176.000 0.114 0.000 0.954 280 Q CA -0.401 55.442 55.803 0.067 0.000 0.890 280 Q CB 0.428 29.185 28.738 0.032 0.000 1.210 280 Q HN 0.328 nan 8.270 nan 0.000 0.410 281 E N 3.313 123.539 120.200 0.043 0.000 2.292 281 E HA 0.245 4.595 4.350 0.000 0.000 0.265 281 E C -1.602 175.022 176.600 0.039 0.000 1.093 281 E CA 0.057 56.476 56.400 0.032 0.000 0.922 281 E CB 0.281 29.963 29.700 -0.030 0.000 1.001 281 E HN 0.407 nan 8.360 nan 0.000 0.444 282 L N 4.358 125.691 121.223 0.183 0.000 2.661 282 L HA 0.330 4.670 4.340 0.000 0.000 0.263 282 L C -0.966 176.147 176.870 0.405 0.000 0.956 282 L CA -0.177 54.782 54.840 0.198 0.000 0.918 282 L CB 1.641 43.781 42.059 0.134 0.000 1.280 282 L HN 0.518 nan 8.230 nan 0.000 0.416 283 T N 1.469 116.178 114.554 0.257 0.000 2.902 283 T HA 0.851 5.201 4.350 0.000 0.000 0.283 283 T C -0.406 174.476 174.700 0.305 0.000 1.009 283 T CA -0.761 61.538 62.100 0.333 0.000 1.051 283 T CB 1.841 70.907 68.868 0.331 0.000 0.999 283 T HN 0.353 nan 8.240 nan 0.000 0.474 284 V N 2.934 123.037 119.914 0.316 0.000 2.487 284 V HA 0.630 4.750 4.120 0.000 0.000 0.298 284 V C -0.346 175.861 176.094 0.190 0.000 1.028 284 V CA -0.791 61.644 62.300 0.226 0.000 0.860 284 V CB 1.218 33.166 31.823 0.208 0.000 0.991 284 V HN 1.121 nan 8.190 nan 0.000 0.427 285 Q N 3.399 123.287 119.800 0.146 0.000 2.389 285 Q HA 0.786 5.127 4.340 0.000 0.000 0.277 285 Q C -0.419 175.617 176.000 0.059 0.000 1.082 285 Q CA -0.519 55.357 55.803 0.121 0.000 0.810 285 Q CB 2.399 31.222 28.738 0.142 0.000 1.374 285 Q HN 0.828 nan 8.270 nan 0.000 0.422 286 G N 1.114 109.950 108.800 0.059 0.000 2.389 286 G HA2 0.645 4.606 3.960 0.000 0.000 0.317 286 G HA3 0.645 4.606 3.960 0.000 0.000 0.317 286 G C -1.381 173.539 174.900 0.034 0.000 1.137 286 G CA -0.489 44.616 45.100 0.009 0.000 0.870 286 G HN 0.508 nan 8.290 nan 0.000 0.496 287 V N 0.614 120.507 119.914 -0.034 0.000 3.120 287 V HA 0.689 4.809 4.120 0.000 0.000 0.303 287 V C -0.709 175.372 176.094 -0.022 0.000 1.238 287 V CA -0.401 61.913 62.300 0.023 0.000 1.008 287 V CB 2.502 34.297 31.823 -0.046 0.000 1.064 287 V HN 0.939 nan 8.190 nan 0.000 0.434 288 V N 2.710 122.647 119.914 0.037 0.000 3.181 288 V HA 0.835 4.956 4.120 0.000 0.000 0.308 288 V C -1.255 174.889 176.094 0.083 0.000 1.214 288 V CA -0.941 61.312 62.300 -0.079 0.000 1.053 288 V CB 1.560 33.152 31.823 -0.385 0.000 1.069 288 V HN 1.278 nan 8.190 nan 0.000 0.441 289 Y N -1.134 119.049 120.300 -0.195 0.000 2.677 289 Y HA 0.888 5.438 4.550 0.000 0.000 0.334 289 Y C -0.335 175.590 175.900 0.041 0.000 1.196 289 Y CA -0.617 57.486 58.100 0.004 0.000 1.059 289 Y CB 1.392 39.916 38.460 0.107 0.000 1.315 289 Y HN 1.043 nan 8.280 nan 0.000 0.455 290 G N 0.666 109.598 108.800 0.220 0.000 2.415 290 G HA2 0.428 4.388 3.960 0.000 0.000 0.327 290 G HA3 0.428 4.388 3.960 0.000 0.000 0.327 290 G C -0.235 174.807 174.900 0.237 0.000 1.182 290 G CA -0.525 44.696 45.100 0.202 0.000 0.924 290 G HN 1.013 nan 8.290 nan 0.000 0.470 291 V N 2.919 122.941 119.914 0.180 0.000 2.867 291 V HA -0.027 4.093 4.120 0.000 0.000 0.260 291 V C 2.412 178.668 176.094 0.269 0.000 1.099 291 V CA 2.611 65.113 62.300 0.337 0.000 1.122 291 V CB -0.458 31.517 31.823 0.253 0.000 0.708 291 V HN 0.824 nan 8.190 nan 0.000 0.490 292 G N 0.281 109.173 108.800 0.154 0.000 2.498 292 G HA2 -0.198 3.762 3.960 0.000 0.000 0.219 292 G HA3 -0.198 3.762 3.960 0.000 0.000 0.219 292 G C 0.953 175.882 174.900 0.048 0.000 1.119 292 G CA 1.113 46.271 45.100 0.096 0.000 0.766 292 G HN 0.770 nan 8.290 nan 0.000 0.552 293 D N -3.320 117.032 120.400 -0.080 0.000 2.453 293 D HA 0.126 4.766 4.640 0.000 0.000 0.256 293 D C 1.528 177.283 176.300 -0.909 0.000 1.152 293 D CA 0.708 54.437 54.000 -0.451 0.000 0.818 293 D CB -0.855 39.834 40.800 -0.184 0.000 1.259 293 D HN 0.439 nan 8.370 nan 0.000 0.531 294 G N 1.308 109.946 108.800 -0.270 0.000 2.203 294 G HA2 -0.362 3.599 3.960 0.000 0.000 0.263 294 G HA3 -0.362 3.599 3.960 0.000 0.000 0.263 294 G C 0.075 175.054 174.900 0.131 0.000 1.012 294 G CA 0.603 45.751 45.100 0.081 0.000 0.749 294 G HN 0.612 nan 8.290 nan 0.000 0.512 295 K N 0.326 120.793 120.400 0.112 0.000 2.234 295 K HA 0.579 4.899 4.320 0.000 0.000 0.277 295 K C 0.812 177.567 176.600 0.258 0.000 1.038 295 K CA -0.865 55.517 56.287 0.158 0.000 0.888 295 K CB 0.261 32.817 32.500 0.093 0.000 1.091 295 K HN 0.203 nan 8.250 nan 0.000 0.467 296 L N 5.502 126.886 121.223 0.268 0.000 2.367 296 L HA 0.247 4.587 4.340 0.000 0.000 0.275 296 L C 0.427 177.564 176.870 0.445 0.000 1.129 296 L CA -0.393 54.641 54.840 0.324 0.000 0.839 296 L CB 0.421 42.593 42.059 0.189 0.000 1.133 296 L HN 0.507 nan 8.230 nan 0.000 0.453 297 R N 1.494 122.204 120.500 0.351 0.000 2.664 297 R HA 0.356 4.696 4.340 0.000 0.000 0.286 297 R C -0.903 175.547 176.300 0.249 0.000 0.967 297 R CA -1.036 55.196 56.100 0.219 0.000 0.933 297 R CB 1.319 31.716 30.300 0.161 0.000 1.146 297 R HN 0.423 nan 8.270 nan 0.000 0.468 298 D N 1.622 122.027 120.400 0.007 0.000 2.264 298 D HA 0.123 4.763 4.640 0.000 0.000 0.250 298 D C 0.422 176.752 176.300 0.050 0.000 1.113 298 D CA -0.312 53.714 54.000 0.044 0.000 0.871 298 D CB 0.991 41.623 40.800 -0.281 0.000 1.167 298 D HN 0.167 nan 8.370 nan 0.000 0.447 299 L N 2.248 123.524 121.223 0.089 0.000 2.731 299 L HA 0.394 4.735 4.340 0.000 0.000 0.240 299 L C 0.913 177.811 176.870 0.047 0.000 1.120 299 L CA 0.431 55.298 54.840 0.045 0.000 0.913 299 L CB -0.599 41.479 42.059 0.032 0.000 1.213 299 L HN 0.715 nan 8.230 nan 0.000 0.515 300 G N -0.079 108.766 108.800 0.075 0.000 2.465 300 G HA2 0.067 4.027 3.960 0.000 0.000 0.681 300 G HA3 0.067 4.027 3.960 0.000 0.000 0.681 300 G C -1.429 173.534 174.900 0.105 0.000 1.340 300 G CA -0.757 44.387 45.100 0.074 0.000 0.884 300 G HN -0.182 nan 8.290 nan 0.000 0.650 301 V N 0.575 120.551 119.914 0.103 0.000 2.656 301 V HA 0.806 4.926 4.120 0.000 0.000 0.307 301 V C 0.239 176.396 176.094 0.105 0.000 1.051 301 V CA -0.488 61.886 62.300 0.122 0.000 0.893 301 V CB 1.590 33.490 31.823 0.129 0.000 0.999 301 V HN 1.890 nan 8.190 nan 0.000 0.426 302 V N 5.441 125.437 119.914 0.138 0.000 2.448 302 V HA 0.548 4.668 4.120 0.000 0.000 0.295 302 V C 0.135 176.280 176.094 0.085 0.000 1.025 302 V CA 0.117 62.478 62.300 0.103 0.000 0.859 302 V CB 1.951 33.869 31.823 0.159 0.000 0.988 302 V HN 0.586 nan 8.190 nan 0.000 0.431 303 V N 4.634 124.486 119.914 -0.104 0.000 2.575 303 V HA 0.328 4.448 4.120 0.000 0.000 0.242 303 V C 0.750 176.412 176.094 -0.719 0.000 1.045 303 V CA 1.202 63.388 62.300 -0.190 0.000 1.065 303 V CB -0.275 31.465 31.823 -0.139 0.000 0.717 303 V HN 0.956 nan 8.190 nan 0.000 0.467 304 N N 0.147 118.221 118.700 -1.043 0.000 3.127 304 N HA 0.113 4.853 4.740 0.000 0.000 0.239 304 N C -1.784 173.182 175.510 -0.908 0.000 1.200 304 N CA 0.135 52.142 53.050 -1.738 0.000 0.924 304 N CB 1.700 39.561 38.487 -1.043 0.000 1.583 304 N HN 0.112 nan 8.380 nan 0.000 0.645 305 S N 1.111 116.365 115.700 -0.743 0.000 2.733 305 S HA 0.290 4.760 4.470 0.000 0.000 0.294 305 S C -0.417 174.257 174.600 0.122 0.000 1.149 305 S CA -0.554 57.560 58.200 -0.144 0.000 1.034 305 S CB 1.372 64.561 63.200 -0.018 0.000 1.015 305 S HN 0.516 nan 8.310 nan 0.000 0.486 306 S N 1.269 117.024 115.700 0.091 0.000 2.560 306 S HA 0.078 4.548 4.470 0.000 0.000 0.284 306 S C 0.414 175.098 174.600 0.141 0.000 1.327 306 S CA -0.010 58.273 58.200 0.138 0.000 1.055 306 S CB 0.496 63.738 63.200 0.071 0.000 0.868 306 S HN 0.699 nan 8.310 nan 0.000 0.506 307 D N 2.383 122.869 120.400 0.144 0.000 2.402 307 D HA 0.176 4.816 4.640 0.000 0.000 0.216 307 D C -0.228 176.143 176.300 0.119 0.000 1.128 307 D CA -0.301 53.779 54.000 0.134 0.000 0.833 307 D CB 0.023 40.886 40.800 0.105 0.000 0.971 307 D HN 0.684 nan 8.370 nan 0.000 0.503 308 D N -0.012 120.442 120.400 0.089 0.000 2.425 308 D HA 0.052 4.692 4.640 0.000 0.000 0.247 308 D C 1.336 177.676 176.300 0.067 0.000 1.147 308 D CA 0.197 54.231 54.000 0.057 0.000 0.879 308 D CB 0.549 41.350 40.800 0.002 0.000 1.179 308 D HN 0.317 nan 8.370 nan 0.000 0.456 309 I N 0.137 120.781 120.570 0.123 0.000 4.338 309 I HA 0.149 4.319 4.170 0.000 0.000 0.329 309 I C 1.259 177.520 176.117 0.239 0.000 1.378 309 I CA -0.360 61.104 61.300 0.273 0.000 1.170 309 I CB 0.258 38.578 38.000 0.533 0.000 1.206 309 I HN 0.259 nan 8.210 nan 0.000 0.432 310 S N 2.477 118.246 115.700 0.115 0.000 2.442 310 S HA -0.196 4.274 4.470 0.000 0.000 0.236 310 S C 1.913 176.528 174.600 0.024 0.000 1.007 310 S CA 1.329 59.610 58.200 0.136 0.000 0.965 310 S CB -0.658 62.584 63.200 0.069 0.000 0.773 310 S HN 0.744 nan 8.310 nan 0.000 0.504 311 K N 0.705 120.991 120.400 -0.191 0.000 2.280 311 K HA -0.027 4.293 4.320 0.000 0.000 0.202 311 K C 1.214 177.616 176.600 -0.330 0.000 1.047 311 K CA 1.211 57.315 56.287 -0.306 0.000 0.942 311 K CB -0.657 31.562 32.500 -0.468 0.000 0.739 311 K HN 0.520 nan 8.250 nan 0.000 0.457 312 F N -0.687 119.187 119.950 -0.127 0.000 2.743 312 F HA 0.128 4.655 4.527 0.000 0.000 0.297 312 F C 0.858 176.254 175.800 -0.674 0.000 1.131 312 F CA -0.077 57.684 58.000 -0.399 0.000 1.426 312 F CB 0.241 38.909 39.000 -0.553 0.000 1.116 312 F HN -0.067 nan 8.300 nan 0.000 0.583 313 Y N -1.387 119.002 120.300 0.149 0.000 2.499 313 Y HA 0.337 4.887 4.550 0.000 0.000 0.253 313 Y C 0.428 176.358 175.900 0.050 0.000 1.105 313 Y CA -0.589 57.569 58.100 0.096 0.000 1.240 313 Y CB 0.600 39.114 38.460 0.090 0.000 1.289 313 Y HN -0.340 nan 8.280 nan 0.000 0.534 314 R N 0.398 120.977 120.500 0.131 0.000 2.534 314 R HA 0.485 4.825 4.340 0.000 0.000 0.301 314 R C -0.560 175.760 176.300 0.032 0.000 0.961 314 R CA -0.437 55.712 56.100 0.080 0.000 0.871 314 R CB 1.062 31.402 30.300 0.068 0.000 1.170 314 R HN -0.112 nan 8.270 nan 0.000 0.446 315 T N 2.906 117.477 114.554 0.029 0.000 2.898 315 T HA 0.028 4.378 4.350 0.000 0.000 0.301 315 T C 1.152 175.855 174.700 0.005 0.000 1.049 315 T CA -0.464 61.644 62.100 0.013 0.000 1.095 315 T CB 0.853 69.731 68.868 0.016 0.000 0.976 315 T HN 0.350 nan 8.240 nan 0.000 0.539 316 K N 1.840 122.238 120.400 -0.004 0.000 2.173 316 K HA -0.152 4.168 4.320 0.000 0.000 0.207 316 K C 2.379 178.978 176.600 -0.001 0.000 1.046 316 K CA 1.886 58.169 56.287 -0.007 0.000 0.929 316 K CB -0.581 31.913 32.500 -0.010 0.000 0.720 316 K HN 0.661 nan 8.250 nan 0.000 0.453 317 S N -0.171 115.531 115.700 0.003 0.000 2.377 317 S HA -0.060 4.410 4.470 0.000 0.000 0.223 317 S C 1.411 176.015 174.600 0.008 0.000 1.030 317 S CA 1.035 59.238 58.200 0.004 0.000 0.970 317 S CB -0.247 62.956 63.200 0.005 0.000 0.830 317 S HN 0.237 nan 8.310 nan 0.000 0.473 318 D N 2.047 122.454 120.400 0.012 0.000 2.347 318 D HA 0.083 4.723 4.640 0.000 0.000 0.215 318 D C 0.907 177.217 176.300 0.017 0.000 0.976 318 D CA 0.422 54.432 54.000 0.017 0.000 0.884 318 D CB -0.249 40.567 40.800 0.025 0.000 0.915 318 D HN 0.463 nan 8.370 nan 0.000 0.526 319 S N -0.376 115.332 115.700 0.013 0.000 2.552 319 S HA 0.245 4.716 4.470 0.000 0.000 0.289 319 S C 1.334 175.939 174.600 0.007 0.000 1.304 319 S CA 0.781 58.987 58.200 0.010 0.000 1.063 319 S CB 0.538 63.738 63.200 -0.000 0.000 0.848 319 S HN 0.441 nan 8.310 nan 0.000 0.499 320 G N 2.979 111.784 108.800 0.008 0.000 2.143 320 G HA2 -0.192 3.769 3.960 0.000 0.000 0.248 320 G HA3 -0.192 3.769 3.960 0.000 0.000 0.248 320 G C 0.898 175.802 174.900 0.007 0.000 0.991 320 G CA 0.558 45.661 45.100 0.006 0.000 0.689 320 G HN 1.419 nan 8.290 nan 0.000 0.522 321 A N -0.212 122.615 122.820 0.011 0.000 1.842 321 A HA 0.112 4.432 4.320 0.000 0.000 0.217 321 A C 2.422 180.011 177.584 0.009 0.000 1.206 321 A CA 2.416 54.459 52.037 0.011 0.000 0.630 321 A CB -0.497 18.512 19.000 0.015 0.000 0.839 321 A HN 1.359 nan 8.150 nan 0.000 0.447 322 L N -0.047 121.182 121.223 0.009 0.000 2.042 322 L HA -0.181 4.159 4.340 0.000 0.000 0.210 322 L C 2.278 179.151 176.870 0.005 0.000 1.076 322 L CA 2.420 57.264 54.840 0.007 0.000 0.749 322 L CB -0.495 41.568 42.059 0.007 0.000 0.893 322 L HN 0.410 nan 8.230 nan 0.000 0.432 323 K N -0.600 119.803 120.400 0.005 0.000 2.211 323 K HA 0.005 4.325 4.320 0.000 0.000 0.203 323 K C 1.589 178.190 176.600 0.002 0.000 1.050 323 K CA 1.040 57.328 56.287 0.003 0.000 0.945 323 K CB -0.286 32.215 32.500 0.002 0.000 0.732 323 K HN 0.431 nan 8.250 nan 0.000 0.451 324 A N 0.506 123.328 122.820 0.003 0.000 2.327 324 A HA 0.288 4.608 4.320 0.000 0.000 0.228 324 A C 1.291 178.876 177.584 0.003 0.000 1.275 324 A CA 0.582 52.620 52.037 0.003 0.000 0.875 324 A CB -0.471 18.531 19.000 0.003 0.000 0.925 324 A HN 0.408 nan 8.150 nan 0.000 0.493 325 G N -0.129 108.673 108.800 0.004 0.000 2.205 325 G HA2 -0.306 3.654 3.960 0.000 0.000 0.261 325 G HA3 -0.306 3.654 3.960 0.000 0.000 0.261 325 G C 0.245 175.148 174.900 0.005 0.000 0.980 325 G CA 0.323 45.425 45.100 0.004 0.000 0.632 325 G HN 0.776 nan 8.290 nan 0.000 0.533 326 N N 1.221 119.925 118.700 0.006 0.000 2.558 326 N HA 0.466 5.206 4.740 0.000 0.000 0.233 326 N C -0.832 174.683 175.510 0.008 0.000 1.038 326 N CA -2.051 51.003 53.050 0.007 0.000 0.934 326 N CB 1.463 39.954 38.487 0.007 0.000 1.175 326 N HN 0.165 nan 8.380 nan 0.000 0.512 327 P HA 0.080 nan 4.420 nan 0.000 0.245 327 P C -0.313 176.991 177.300 0.007 0.000 1.206 327 P CA 0.551 63.655 63.100 0.007 0.000 0.781 327 P CB 0.325 32.028 31.700 0.005 0.000 0.994 328 N N 0.014 118.719 118.700 0.008 0.000 2.336 328 N HA 0.169 4.910 4.740 0.000 0.000 0.189 328 N C 0.612 176.130 175.510 0.013 0.000 1.113 328 N CA -0.313 52.742 53.050 0.009 0.000 0.858 328 N CB 0.006 38.498 38.487 0.008 0.000 0.970 328 N HN 0.064 nan 8.380 nan 0.000 0.471 329 A N 2.694 125.523 122.820 0.014 0.000 2.540 329 A HA 0.134 4.454 4.320 0.000 0.000 0.239 329 A C -1.763 175.835 177.584 0.024 0.000 1.061 329 A CA -0.850 51.199 52.037 0.019 0.000 0.758 329 A CB -0.120 18.892 19.000 0.020 0.000 0.991 329 A HN 0.102 nan 8.150 nan 0.000 0.502 330 P HA 0.156 nan 4.420 nan 0.000 0.269 330 P C -0.840 176.492 177.300 0.054 0.000 1.215 330 P CA -0.010 63.111 63.100 0.036 0.000 0.780 330 P CB 0.619 32.339 31.700 0.034 0.000 0.898 331 L N 2.372 123.634 121.223 0.064 0.000 2.265 331 L HA 0.292 4.633 4.340 0.000 0.000 0.289 331 L C -0.178 176.770 176.870 0.131 0.000 1.033 331 L CA -0.906 53.999 54.840 0.109 0.000 0.814 331 L CB 1.471 43.581 42.059 0.085 0.000 1.203 331 L HN 0.116 nan 8.230 nan 0.000 0.423 332 V N 4.050 124.050 119.914 0.144 0.000 2.347 332 V HA 0.143 4.263 4.120 0.000 0.000 0.280 332 V C 0.350 176.514 176.094 0.117 0.000 1.021 332 V CA -0.558 61.807 62.300 0.108 0.000 0.847 332 V CB 1.521 33.382 31.823 0.064 0.000 0.990 332 V HN 0.719 nan 8.190 nan 0.000 0.444 333 Q N 3.530 123.394 119.800 0.106 0.000 2.613 333 Q HA 0.094 4.435 4.340 0.000 0.000 0.228 333 Q C 0.901 176.880 176.000 -0.036 0.000 1.318 333 Q CA -0.180 55.642 55.803 0.032 0.000 0.907 333 Q CB 0.620 29.402 28.738 0.072 0.000 1.593 333 Q HN 0.763 nan 8.270 nan 0.000 0.559 334 V N 2.254 122.124 119.914 -0.072 0.000 2.332 334 V HA -0.136 3.984 4.120 0.000 0.000 0.248 334 V C 1.251 177.329 176.094 -0.026 0.000 1.055 334 V CA 2.102 64.382 62.300 -0.032 0.000 1.038 334 V CB -0.127 31.685 31.823 -0.017 0.000 0.651 334 V HN 0.801 nan 8.190 nan 0.000 0.450 335 T N -2.828 111.685 114.554 -0.068 0.000 2.923 335 T HA 0.423 4.773 4.350 0.000 0.000 0.311 335 T C 0.191 174.792 174.700 -0.165 0.000 1.183 335 T CA -0.724 61.330 62.100 -0.077 0.000 1.020 335 T CB 2.122 70.980 68.868 -0.018 0.000 1.165 335 T HN -0.058 nan 8.240 nan 0.000 0.482 336 K N 2.739 123.066 120.400 -0.122 0.000 1.968 336 K HA 0.224 4.544 4.320 0.000 0.000 0.222 336 K C 1.561 178.073 176.600 -0.146 0.000 1.043 336 K CA 1.987 58.212 56.287 -0.104 0.000 0.991 336 K CB -0.706 31.756 32.500 -0.064 0.000 0.744 336 K HN 0.738 nan 8.250 nan 0.000 0.445 337 G N -0.130 108.566 108.800 -0.172 0.000 4.464 337 G HA2 0.410 4.370 3.960 0.000 0.000 0.297 337 G HA3 0.410 4.370 3.960 0.000 0.000 0.297 337 G C -0.007 174.690 174.900 -0.337 0.000 1.342 337 G CA -0.165 44.825 45.100 -0.184 0.000 1.335 337 G HN 0.381 nan 8.290 nan 0.000 0.609 338 G N 0.723 109.113 108.800 -0.683 0.000 2.441 338 G HA2 0.492 4.452 3.960 0.000 0.000 0.243 338 G HA3 0.492 4.452 3.960 0.000 0.000 0.243 338 G C -0.003 174.438 174.900 -0.764 0.000 1.281 338 G CA -0.363 43.949 45.100 -1.313 0.000 0.854 338 G HN 0.613 nan 8.290 nan 0.000 0.560 339 E N 0.350 120.343 120.200 -0.346 0.000 2.288 339 E HA 0.579 4.929 4.350 0.000 0.000 0.268 339 E C 0.040 176.806 176.600 0.276 0.000 0.885 339 E CA -0.872 55.543 56.400 0.024 0.000 0.767 339 E CB 1.630 31.343 29.700 0.021 0.000 1.220 339 E HN 0.483 nan 8.360 nan 0.000 0.427 340 S N 1.675 117.560 115.700 0.309 0.000 2.626 340 S HA 0.062 4.533 4.470 0.000 0.000 0.257 340 S C 0.867 175.582 174.600 0.191 0.000 1.288 340 S CA -0.350 58.022 58.200 0.286 0.000 0.980 340 S CB 0.814 64.153 63.200 0.232 0.000 0.975 340 S HN 0.712 nan 8.310 nan 0.000 0.577 341 E N -0.215 120.070 120.200 0.142 0.000 2.110 341 E HA -0.105 4.245 4.350 0.000 0.000 0.193 341 E C 1.859 178.524 176.600 0.108 0.000 0.988 341 E CA 0.869 57.328 56.400 0.098 0.000 0.804 341 E CB -0.285 29.448 29.700 0.054 0.000 0.745 341 E HN 0.533 nan 8.360 nan 0.000 0.458 342 L N 1.293 122.601 121.223 0.140 0.000 2.046 342 L HA -0.219 4.121 4.340 0.000 0.000 0.208 342 L C 1.810 178.799 176.870 0.199 0.000 1.077 342 L CA 1.375 56.316 54.840 0.169 0.000 0.747 342 L CB -0.271 41.894 42.059 0.178 0.000 0.896 342 L HN 0.151 nan 8.230 nan 0.000 0.432 343 D N -0.494 120.026 120.400 0.200 0.000 2.104 343 D HA -0.174 4.466 4.640 0.000 0.000 0.194 343 D C 2.279 178.653 176.300 0.123 0.000 0.994 343 D CA 1.617 55.721 54.000 0.173 0.000 0.830 343 D CB -0.005 40.882 40.800 0.145 0.000 0.959 343 D HN 0.262 nan 8.370 nan 0.000 0.452 344 S N 0.032 115.795 115.700 0.106 0.000 2.356 344 S HA -0.126 4.344 4.470 0.000 0.000 0.223 344 S C 2.146 176.789 174.600 0.071 0.000 1.032 344 S CA 1.394 59.640 58.200 0.076 0.000 1.005 344 S CB -0.449 62.792 63.200 0.067 0.000 0.867 344 S HN 0.298 nan 8.310 nan 0.000 0.449 345 T N 2.650 117.253 114.554 0.081 0.000 2.684 345 T HA -0.066 4.284 4.350 0.000 0.000 0.267 345 T C 1.823 176.574 174.700 0.085 0.000 1.036 345 T CA 1.225 63.368 62.100 0.072 0.000 1.148 345 T CB -0.279 68.633 68.868 0.074 0.000 0.863 345 T HN 0.227 nan 8.240 nan 0.000 0.436 346 M N 0.931 120.604 119.600 0.122 0.000 2.175 346 M HA 0.021 4.501 4.480 0.000 0.000 0.264 346 M C 2.258 178.601 176.300 0.072 0.000 1.063 346 M CA 1.145 56.517 55.300 0.120 0.000 1.119 346 M CB -1.134 31.577 32.600 0.185 0.000 1.377 346 M HN 0.379 nan 8.290 nan 0.000 0.415 347 E N 0.645 120.885 120.200 0.067 0.000 2.058 347 E HA -0.239 4.111 4.350 0.000 0.000 0.194 347 E C 2.136 178.757 176.600 0.035 0.000 0.997 347 E CA 1.452 57.883 56.400 0.051 0.000 0.801 347 E CB 0.072 29.803 29.700 0.051 0.000 0.746 347 E HN 0.420 nan 8.360 nan 0.000 0.450 348 K N 0.297 120.718 120.400 0.035 0.000 2.026 348 K HA -0.146 4.174 4.320 0.000 0.000 0.208 348 K C 2.291 178.897 176.600 0.010 0.000 1.048 348 K CA 1.297 57.597 56.287 0.021 0.000 0.929 348 K CB -0.119 32.395 32.500 0.022 0.000 0.713 348 K HN 0.185 nan 8.250 nan 0.000 0.439 349 L N 0.448 121.682 121.223 0.020 0.000 2.083 349 L HA -0.173 4.167 4.340 0.000 0.000 0.209 349 L C 2.415 179.274 176.870 -0.019 0.000 1.083 349 L CA 1.487 56.333 54.840 0.010 0.000 0.752 349 L CB -0.713 41.367 42.059 0.035 0.000 0.899 349 L HN 0.289 nan 8.230 nan 0.000 0.433 350 T N 0.052 114.593 114.554 -0.022 0.000 2.746 350 T HA -0.169 4.181 4.350 0.000 0.000 0.267 350 T C 2.061 176.678 174.700 -0.138 0.000 1.039 350 T CA 1.324 63.375 62.100 -0.081 0.000 1.142 350 T CB -0.247 68.597 68.868 -0.040 0.000 0.866 350 T HN 0.452 nan 8.240 nan 0.000 0.444 351 A N 1.676 124.452 122.820 -0.073 0.000 1.908 351 A HA -0.169 4.151 4.320 0.000 0.000 0.218 351 A C 2.182 179.721 177.584 -0.074 0.000 1.181 351 A CA 1.733 53.730 52.037 -0.068 0.000 0.627 351 A CB -0.555 18.434 19.000 -0.018 0.000 0.818 351 A HN 0.593 nan 8.150 nan 0.000 0.445 352 E N -0.498 119.669 120.200 -0.055 0.000 2.208 352 E HA -0.069 4.281 4.350 0.000 0.000 0.193 352 E C 1.963 178.525 176.600 -0.063 0.000 0.988 352 E CA 0.632 57.003 56.400 -0.049 0.000 0.828 352 E CB -0.147 29.535 29.700 -0.031 0.000 0.763 352 E HN 0.604 nan 8.360 nan 0.000 0.478 353 L N 0.785 121.958 121.223 -0.084 0.000 2.007 353 L HA -0.107 4.234 4.340 0.000 0.000 0.205 353 L C 2.260 179.059 176.870 -0.119 0.000 1.073 353 L CA 1.192 55.980 54.840 -0.087 0.000 0.744 353 L CB -0.385 41.618 42.059 -0.094 0.000 0.898 353 L HN 0.035 nan 8.230 nan 0.000 0.435 354 V N 1.449 121.237 119.914 -0.210 0.000 2.453 354 V HA -0.319 3.801 4.120 0.000 0.000 0.252 354 V C 2.673 178.691 176.094 -0.127 0.000 1.068 354 V CA 2.110 64.256 62.300 -0.257 0.000 1.070 354 V CB -0.874 30.611 31.823 -0.564 0.000 0.664 354 V HN 0.715 nan 8.190 nan 0.000 0.461 355 Q N -0.064 119.681 119.800 -0.091 0.000 2.488 355 Q HA -0.058 4.282 4.340 0.000 0.000 0.211 355 Q C 0.819 176.795 176.000 -0.039 0.000 0.967 355 Q CA 0.541 56.314 55.803 -0.049 0.000 0.926 355 Q CB -0.024 28.692 28.738 -0.037 0.000 0.992 355 Q HN 0.684 nan 8.270 nan 0.000 0.506 356 Q N 0.983 120.757 119.800 -0.045 0.000 2.195 356 Q HA 0.333 4.673 4.340 0.000 0.000 0.250 356 Q C -0.718 175.265 176.000 -0.029 0.000 0.988 356 Q CA -0.635 55.149 55.803 -0.032 0.000 0.911 356 Q CB 1.481 30.202 28.738 -0.029 0.000 1.258 356 Q HN -0.016 nan 8.270 nan 0.000 0.475 357 T N 3.140 117.678 114.554 -0.027 0.000 2.851 357 T HA 0.193 4.543 4.350 0.000 0.000 0.298 357 T C -2.355 172.322 174.700 -0.038 0.000 0.977 357 T CA -1.077 61.005 62.100 -0.031 0.000 1.126 357 T CB 0.353 69.200 68.868 -0.034 0.000 0.916 357 T HN 0.255 nan 8.240 nan 0.000 0.529 358 P HA 0.196 nan 4.420 nan 0.000 0.263 358 P C 1.014 178.230 177.300 -0.140 0.000 1.195 358 P CA 0.819 63.887 63.100 -0.053 0.000 0.762 358 P CB 0.293 31.967 31.700 -0.043 0.000 0.799 359 G N 3.012 111.689 108.800 -0.206 0.000 2.176 359 G HA2 -0.289 3.671 3.960 0.000 0.000 0.253 359 G HA3 -0.289 3.671 3.960 0.000 0.000 0.253 359 G C 0.405 175.155 174.900 -0.250 0.000 0.979 359 G CA -0.027 44.743 45.100 -0.550 0.000 0.641 359 G HN 0.558 nan 8.290 nan 0.000 0.530 360 K N 0.351 120.701 120.400 -0.083 0.000 3.123 360 K HA 0.439 4.759 4.320 0.000 0.000 0.209 360 K C 0.722 177.328 176.600 0.010 0.000 1.132 360 K CA -0.494 55.775 56.287 -0.029 0.000 0.992 360 K CB 0.552 33.026 32.500 -0.044 0.000 0.773 360 K HN 0.310 nan 8.250 nan 0.000 0.458 361 L N 1.295 122.552 121.223 0.057 0.000 2.473 361 L HA 0.174 4.514 4.340 0.000 0.000 0.268 361 L C 0.661 177.541 176.870 0.017 0.000 1.215 361 L CA -0.004 54.861 54.840 0.041 0.000 0.823 361 L CB 0.256 42.360 42.059 0.075 0.000 1.099 361 L HN 0.104 nan 8.230 nan 0.000 0.483 362 K N 1.295 121.678 120.400 -0.028 0.000 2.126 362 K HA 0.142 4.462 4.320 0.000 0.000 0.257 362 K C -0.093 176.424 176.600 -0.138 0.000 1.007 362 K CA -0.644 55.603 56.287 -0.067 0.000 0.928 362 K CB 0.784 33.233 32.500 -0.086 0.000 1.013 362 K HN 0.501 nan 8.250 nan 0.000 0.473 363 E N 0.847 120.938 120.200 -0.181 0.000 2.318 363 E HA 0.243 4.594 4.350 0.000 0.000 0.265 363 E C 0.077 176.265 176.600 -0.686 0.000 1.069 363 E CA -0.666 55.490 56.400 -0.406 0.000 0.893 363 E CB 0.943 30.563 29.700 -0.134 0.000 1.076 363 E HN 0.643 nan 8.360 nan 0.000 0.414 364 G N -0.334 107.517 108.800 -1.582 0.000 2.537 364 G HA2 0.438 4.398 3.960 0.000 0.000 0.297 364 G HA3 0.438 4.398 3.960 0.000 0.000 0.297 364 G C 0.284 174.921 174.900 -0.439 0.000 1.310 364 G CA -0.184 44.352 45.100 -0.940 0.000 1.027 364 G HN 0.578 nan 8.290 nan 0.000 0.505 365 A N -0.835 121.926 122.820 -0.098 0.000 2.303 365 A HA 0.228 4.548 4.320 0.000 0.000 0.217 365 A C 1.227 178.914 177.584 0.172 0.000 1.205 365 A CA -0.160 51.905 52.037 0.047 0.000 0.875 365 A CB -0.440 18.572 19.000 0.019 0.000 0.910 365 A HN 0.600 nan 8.150 nan 0.000 0.501 366 N N 1.165 120.045 118.700 0.300 0.000 2.374 366 N HA -0.073 4.668 4.740 0.000 0.000 0.241 366 N C 1.399 177.042 175.510 0.221 0.000 1.262 366 N CA 0.503 53.709 53.050 0.261 0.000 0.880 366 N CB 0.446 39.105 38.487 0.286 0.000 1.105 366 N HN 0.523 nan 8.380 nan 0.000 0.438 367 R N 1.532 122.092 120.500 0.100 0.000 2.170 367 R HA -0.113 4.227 4.340 0.000 0.000 0.242 367 R C 1.592 177.889 176.300 -0.005 0.000 1.145 367 R CA 1.314 57.449 56.100 0.058 0.000 0.984 367 R CB -0.716 29.610 30.300 0.043 0.000 0.869 367 R HN 0.357 nan 8.270 nan 0.000 0.455 368 V N 1.187 121.035 119.914 -0.110 0.000 2.324 368 V HA -0.254 3.866 4.120 0.000 0.000 0.250 368 V C 2.025 177.895 176.094 -0.372 0.000 1.060 368 V CA 2.074 64.174 62.300 -0.333 0.000 1.042 368 V CB -0.531 30.957 31.823 -0.558 0.000 0.650 368 V HN 0.292 nan 8.190 nan 0.000 0.450 369 F N -1.315 118.650 119.950 0.026 0.000 2.234 369 F HA -0.040 4.487 4.527 0.000 0.000 0.296 369 F C 2.310 178.139 175.800 0.048 0.000 1.089 369 F CA 1.361 59.385 58.000 0.041 0.000 1.343 369 F CB -0.699 38.324 39.000 0.039 0.000 1.040 369 F HN -0.010 nan 8.300 nan 0.000 0.498 370 V N 0.714 120.745 119.914 0.195 0.000 2.358 370 V HA -0.234 3.886 4.120 0.000 0.000 0.246 370 V C 2.055 178.208 176.094 0.098 0.000 1.047 370 V CA 2.122 64.501 62.300 0.132 0.000 1.035 370 V CB -0.405 31.481 31.823 0.105 0.000 0.658 370 V HN 0.271 nan 8.190 nan 0.000 0.452 371 N N 1.165 119.902 118.700 0.061 0.000 2.106 371 N HA -0.172 4.569 4.740 0.000 0.000 0.188 371 N C 1.733 177.302 175.510 0.099 0.000 1.029 371 N CA 1.913 54.992 53.050 0.049 0.000 0.848 371 N CB -0.943 37.534 38.487 -0.017 0.000 1.007 371 N HN 0.701 nan 8.380 nan 0.000 0.423 372 N N 1.113 119.857 118.700 0.074 0.000 2.104 372 N HA -0.206 4.534 4.740 0.000 0.000 0.190 372 N C 1.538 177.226 175.510 0.296 0.000 1.024 372 N CA 1.303 54.458 53.050 0.174 0.000 0.853 372 N CB -0.109 38.436 38.487 0.097 0.000 1.008 372 N HN 0.134 nan 8.380 nan 0.000 0.424 373 E N 0.368 120.686 120.200 0.197 0.000 2.077 373 E HA -0.093 4.257 4.350 0.000 0.000 0.193 373 E C 1.489 178.164 176.600 0.125 0.000 0.989 373 E CA 1.563 58.054 56.400 0.152 0.000 0.800 373 E CB -0.435 29.337 29.700 0.120 0.000 0.746 373 E HN 0.567 nan 8.360 nan 0.000 0.452 374 N N -0.831 117.945 118.700 0.127 0.000 2.084 374 N HA -0.176 4.565 4.740 0.000 0.000 0.190 374 N C 1.491 177.066 175.510 0.108 0.000 1.030 374 N CA 1.095 54.202 53.050 0.094 0.000 0.849 374 N CB -0.409 38.131 38.487 0.089 0.000 1.012 374 N HN 0.259 nan 8.380 nan 0.000 0.423 375 W N 2.617 123.921 121.300 0.008 0.000 2.317 375 W HA -0.154 4.506 4.660 0.000 0.000 0.318 375 W C 2.138 178.688 176.519 0.052 0.000 1.227 375 W CA 1.376 58.724 57.345 0.004 0.000 1.269 375 W CB -0.305 29.156 29.460 0.001 0.000 1.155 375 W HN -0.102 nan 8.180 nan 0.000 0.484 376 R N -0.382 120.028 120.500 -0.150 0.000 2.096 376 R HA -0.238 4.102 4.340 0.000 0.000 0.240 376 R C 2.317 178.511 176.300 -0.177 0.000 1.139 376 R CA 1.922 57.863 56.100 -0.264 0.000 0.952 376 R CB -0.885 29.385 30.300 -0.050 0.000 0.854 376 R HN 0.251 nan 8.270 nan 0.000 0.436 377 Q N 0.837 120.581 119.800 -0.093 0.000 2.096 377 Q HA -0.170 4.170 4.340 0.000 0.000 0.204 377 Q C 1.956 177.877 176.000 -0.131 0.000 0.982 377 Q CA 1.495 57.255 55.803 -0.072 0.000 0.850 377 Q CB -0.218 28.503 28.738 -0.029 0.000 0.901 377 Q HN 0.268 nan 8.270 nan 0.000 0.422 378 K N -0.403 119.892 120.400 -0.175 0.000 2.063 378 K HA -0.090 4.230 4.320 0.000 0.000 0.208 378 K C 2.080 178.480 176.600 -0.334 0.000 1.048 378 K CA 1.172 57.338 56.287 -0.201 0.000 0.928 378 K CB 0.042 32.444 32.500 -0.164 0.000 0.713 378 K HN 0.081 nan 8.250 nan 0.000 0.442 379 M N 0.129 119.392 119.600 -0.563 0.000 2.099 379 M HA -0.123 4.357 4.480 0.000 0.000 0.262 379 M C 1.928 177.918 176.300 -0.516 0.000 1.067 379 M CA 1.282 56.051 55.300 -0.885 0.000 1.124 379 M CB -0.811 30.867 32.600 -1.538 0.000 1.353 379 M HN 0.115 nan 8.290 nan 0.000 0.410 380 L N 0.262 121.343 121.223 -0.236 0.000 2.131 380 L HA -0.171 4.169 4.340 0.000 0.000 0.210 380 L C 2.397 179.222 176.870 -0.075 0.000 1.092 380 L CA 1.507 56.315 54.840 -0.054 0.000 0.759 380 L CB -1.372 40.709 42.059 0.037 0.000 0.903 380 L HN 0.263 nan 8.230 nan 0.000 0.435 381 K N 0.324 120.657 120.400 -0.112 0.000 1.985 381 K HA -0.177 4.144 4.320 0.000 0.000 0.210 381 K C 1.902 178.450 176.600 -0.086 0.000 1.047 381 K CA 1.534 57.771 56.287 -0.083 0.000 0.932 381 K CB -0.364 32.085 32.500 -0.086 0.000 0.716 381 K HN 0.599 nan 8.250 nan 0.000 0.439 382 Q N 0.295 120.015 119.800 -0.133 0.000 2.436 382 Q HA -0.034 4.306 4.340 0.000 0.000 0.209 382 Q C -0.331 175.619 176.000 -0.084 0.000 0.965 382 Q CA 0.794 56.529 55.803 -0.113 0.000 0.910 382 Q CB 0.222 28.872 28.738 -0.147 0.000 0.980 382 Q HN -0.027 nan 8.270 nan 0.000 0.491 383 D N -0.612 119.740 120.400 -0.081 0.000 2.300 383 D HA 0.173 4.814 4.640 0.000 0.000 0.218 383 D C -2.517 173.806 176.300 0.038 0.000 1.326 383 D CA -1.685 52.314 54.000 -0.001 0.000 0.942 383 D CB 1.696 42.530 40.800 0.058 0.000 1.495 383 D HN -0.274 nan 8.370 nan 0.000 0.545 384 P HA -0.020 nan 4.420 nan 0.000 0.225 384 P C 0.870 178.228 177.300 0.097 0.000 1.148 384 P CA 0.943 64.081 63.100 0.063 0.000 0.779 384 P CB 0.417 32.142 31.700 0.042 0.000 0.780 385 Q N -2.823 117.031 119.800 0.091 0.000 2.247 385 Q HA 0.124 4.464 4.340 0.000 0.000 0.211 385 Q C 1.293 177.329 176.000 0.060 0.000 0.861 385 Q CA -0.369 55.483 55.803 0.082 0.000 0.949 385 Q CB -0.289 28.487 28.738 0.063 0.000 1.115 385 Q HN 0.178 nan 8.270 nan 0.000 0.507 386 F N 0.393 120.282 119.950 -0.102 0.000 2.063 386 F HA -0.366 4.161 4.527 0.000 0.000 0.297 386 F C 1.176 176.792 175.800 -0.307 0.000 1.099 386 F CA 1.874 59.715 58.000 -0.266 0.000 1.220 386 F CB -0.051 38.664 39.000 -0.476 0.000 0.972 386 F HN 0.080 nan 8.300 nan 0.000 0.487 387 F N 0.245 120.115 119.950 -0.135 0.000 2.293 387 F HA -0.069 4.458 4.527 0.000 0.000 0.297 387 F C 2.841 178.531 175.800 -0.183 0.000 1.089 387 F CA 1.047 58.929 58.000 -0.196 0.000 1.377 387 F CB -1.109 37.888 39.000 -0.004 0.000 1.051 387 F HN 0.095 nan 8.300 nan 0.000 0.511 388 S N -0.028 115.679 115.700 0.013 0.000 2.368 388 S HA -0.198 4.272 4.470 0.000 0.000 0.224 388 S C 1.675 176.088 174.600 -0.311 0.000 1.029 388 S CA 1.527 59.645 58.200 -0.137 0.000 0.988 388 S CB -1.096 62.079 63.200 -0.042 0.000 0.838 388 S HN 0.481 nan 8.310 nan 0.000 0.462 389 N N 1.270 119.881 118.700 -0.149 0.000 2.084 389 N HA 0.003 4.744 4.740 0.000 0.000 0.190 389 N C 1.676 177.106 175.510 -0.133 0.000 1.030 389 N CA 1.136 54.143 53.050 -0.071 0.000 0.849 389 N CB -0.346 38.104 38.487 -0.062 0.000 1.012 389 N HN 0.177 nan 8.380 nan 0.000 0.423 390 L N 1.223 122.300 121.223 -0.244 0.000 2.081 390 L HA -0.138 4.202 4.340 0.000 0.000 0.212 390 L C 1.947 178.769 176.870 -0.081 0.000 1.080 390 L CA 1.338 56.056 54.840 -0.204 0.000 0.754 390 L CB -0.499 41.383 42.059 -0.294 0.000 0.893 390 L HN 0.133 nan 8.230 nan 0.000 0.433 391 A N -2.782 119.960 122.820 -0.130 0.000 2.235 391 A HA -0.075 4.245 4.320 0.000 0.000 0.208 391 A C 1.561 179.082 177.584 -0.106 0.000 1.172 391 A CA 0.667 52.636 52.037 -0.114 0.000 0.786 391 A CB -0.686 18.218 19.000 -0.159 0.000 0.804 391 A HN 0.576 nan 8.150 nan 0.000 0.479 392 H N -1.178 117.905 119.070 0.021 0.000 2.855 392 H HA 0.091 4.647 4.556 0.000 0.000 0.259 392 H C 0.858 176.196 175.328 0.018 0.000 0.972 392 H CA 0.708 56.768 56.048 0.019 0.000 1.213 392 H CB -0.475 29.293 29.762 0.010 0.000 1.451 392 H HN 0.334 nan 8.280 nan 0.000 0.484 393 T N 2.969 117.595 114.554 0.121 0.000 2.830 393 T HA -0.074 4.277 4.350 0.000 0.000 0.282 393 T C 0.630 175.375 174.700 0.076 0.000 1.024 393 T CA -0.124 62.021 62.100 0.074 0.000 1.144 393 T CB 0.263 69.155 68.868 0.040 0.000 1.035 393 T HN 0.475 nan 8.240 nan 0.000 0.507 394 Q N 3.756 123.591 119.800 0.058 0.000 2.454 394 Q HA 0.197 4.537 4.340 0.000 0.000 0.247 394 Q C 0.097 176.129 176.000 0.054 0.000 1.028 394 Q CA -0.639 55.194 55.803 0.050 0.000 0.910 394 Q CB 0.056 28.814 28.738 0.033 0.000 1.276 394 Q HN 0.567 nan 8.270 nan 0.000 0.489 395 T N 3.888 118.470 114.554 0.048 0.000 2.891 395 T HA 0.058 4.408 4.350 0.000 0.000 0.296 395 T C -2.047 172.678 174.700 0.043 0.000 1.025 395 T CA -0.549 61.579 62.100 0.046 0.000 1.149 395 T CB -0.115 68.761 68.868 0.015 0.000 1.007 395 T HN 0.544 nan 8.240 nan 0.000 0.528 396 P HA 0.136 nan 4.420 nan 0.000 0.268 396 P C -0.071 177.253 177.300 0.040 0.000 1.204 396 P CA -0.057 63.089 63.100 0.077 0.000 0.768 396 P CB 0.772 32.568 31.700 0.160 0.000 0.842 397 E N 1.503 121.730 120.200 0.045 0.000 2.481 397 E HA 0.171 4.521 4.350 0.000 0.000 0.198 397 E C 0.382 177.013 176.600 0.052 0.000 1.027 397 E CA 0.046 56.464 56.400 0.031 0.000 0.900 397 E CB 0.027 29.743 29.700 0.027 0.000 0.993 397 E HN 0.517 nan 8.360 nan 0.000 0.482 398 I N -1.306 119.320 120.570 0.092 0.000 2.686 398 I HA 0.402 4.573 4.170 0.000 0.000 0.295 398 I C -1.015 175.230 176.117 0.213 0.000 1.114 398 I CA -1.167 60.214 61.300 0.135 0.000 1.038 398 I CB 1.956 40.053 38.000 0.163 0.000 1.238 398 I HN -0.144 nan 8.210 nan 0.000 0.420 399 L N 5.379 126.732 121.223 0.217 0.000 2.296 399 L HA 0.487 4.828 4.340 0.000 0.000 0.286 399 L C -1.465 175.590 176.870 0.307 0.000 1.023 399 L CA -0.358 54.664 54.840 0.304 0.000 0.812 399 L CB 1.921 44.123 42.059 0.239 0.000 1.223 399 L HN 0.766 nan 8.230 nan 0.000 0.421 400 W N 7.779 129.148 121.300 0.115 0.000 2.471 400 W HA 0.471 5.132 4.660 0.000 0.000 0.318 400 W C -1.582 174.986 176.519 0.082 0.000 1.034 400 W CA -0.766 56.617 57.345 0.063 0.000 1.224 400 W CB 1.642 31.109 29.460 0.011 0.000 1.335 400 W HN 0.342 nan 8.180 nan 0.000 0.452 401 I N 6.638 127.223 120.570 0.026 0.000 2.359 401 I HA 0.431 4.602 4.170 0.000 0.000 0.284 401 I C 0.658 176.759 176.117 -0.027 0.000 1.018 401 I CA -0.199 61.155 61.300 0.091 0.000 1.173 401 I CB 1.019 39.082 38.000 0.105 0.000 1.326 401 I HN 0.411 nan 8.210 nan 0.000 0.462 402 G N 4.091 112.969 108.800 0.129 0.000 3.042 402 G HA2 0.471 4.431 3.960 0.000 0.000 0.278 402 G HA3 0.471 4.431 3.960 0.000 0.000 0.278 402 G C -1.433 173.491 174.900 0.041 0.000 1.371 402 G CA -0.497 44.693 45.100 0.149 0.000 1.009 402 G HN 0.563 nan 8.290 nan 0.000 0.523 403 C N -0.008 119.323 119.300 0.051 0.000 2.405 403 C HA 0.602 5.063 4.460 0.000 0.000 0.365 403 C C 2.117 177.026 174.990 -0.136 0.000 1.233 403 C CA 0.251 59.265 59.018 -0.007 0.000 2.230 403 C CB 0.555 28.381 27.740 0.143 0.000 2.443 403 C HN 0.978 nan 8.230 nan 0.000 0.556 404 A N 2.919 125.576 122.820 -0.271 0.000 2.131 404 A HA -0.105 4.216 4.320 0.000 0.000 0.220 404 A C 1.781 178.948 177.584 -0.695 0.000 1.158 404 A CA 1.891 53.557 52.037 -0.619 0.000 0.665 404 A CB -0.406 17.976 19.000 -1.031 0.000 0.795 404 A HN 0.963 nan 8.150 nan 0.000 0.460 405 D N 0.694 120.968 120.400 -0.210 0.000 2.117 405 D HA -0.096 4.544 4.640 0.000 0.000 0.197 405 D C 0.961 177.228 176.300 -0.056 0.000 0.987 405 D CA 1.598 55.658 54.000 0.101 0.000 0.829 405 D CB -0.553 40.364 40.800 0.196 0.000 0.961 405 D HN 0.545 nan 8.370 nan 0.000 0.460 406 S N 0.212 115.790 115.700 -0.202 0.000 3.292 406 S HA -0.292 4.178 4.470 0.000 0.000 0.360 406 S C 0.747 175.310 174.600 -0.061 0.000 0.930 406 S CA 0.558 58.676 58.200 -0.136 0.000 1.317 406 S CB -1.750 61.368 63.200 -0.137 0.000 0.920 406 S HN 0.385 nan 8.310 nan 0.000 0.540 407 R N 0.188 120.678 120.500 -0.018 0.000 2.323 407 R HA 0.287 4.627 4.340 0.000 0.000 0.198 407 R C -0.175 176.177 176.300 0.087 0.000 0.988 407 R CA 0.720 56.858 56.100 0.063 0.000 1.041 407 R CB 0.224 30.596 30.300 0.120 0.000 0.926 407 R HN 0.557 nan 8.270 nan 0.000 0.476 408 V N 1.217 121.165 119.914 0.056 0.000 2.711 408 V HA 0.316 4.436 4.120 0.000 0.000 0.304 408 V C -2.489 173.495 176.094 -0.184 0.000 1.097 408 V CA -2.163 60.123 62.300 -0.023 0.000 0.906 408 V CB 1.962 33.768 31.823 -0.028 0.000 1.015 408 V HN 0.024 nan 8.190 nan 0.000 0.427 409 P HA 0.210 nan 4.420 nan 0.000 0.268 409 P C 0.810 177.794 177.300 -0.526 0.000 1.205 409 P CA 0.231 63.134 63.100 -0.328 0.000 0.771 409 P CB 1.030 32.568 31.700 -0.270 0.000 0.858 410 A N 4.382 126.787 122.820 -0.692 0.000 1.892 410 A HA -0.264 4.056 4.320 0.000 0.000 0.218 410 A C 1.958 178.979 177.584 -0.939 0.000 1.188 410 A CA 2.159 53.454 52.037 -1.237 0.000 0.631 410 A CB -1.378 16.735 19.000 -1.479 0.000 0.822 410 A HN 0.759 nan 8.150 nan 0.000 0.447 411 N N -0.340 118.011 118.700 -0.580 0.000 2.166 411 N HA -0.247 4.494 4.740 0.000 0.000 0.186 411 N C 1.724 176.966 175.510 -0.448 0.000 1.019 411 N CA 1.816 54.622 53.050 -0.406 0.000 0.856 411 N CB -0.565 37.773 38.487 -0.249 0.000 0.993 411 N HN 0.719 nan 8.380 nan 0.000 0.426 412 Q N 0.570 120.064 119.800 -0.509 0.000 2.016 412 Q HA 0.035 4.376 4.340 0.000 0.000 0.200 412 Q C 2.339 177.613 176.000 -1.209 0.000 0.978 412 Q CA 1.176 56.591 55.803 -0.647 0.000 0.833 412 Q CB -0.091 28.372 28.738 -0.460 0.000 0.895 412 Q HN 0.365 nan 8.270 nan 0.000 0.427 413 I N 1.092 120.957 120.570 -1.175 0.000 2.335 413 I HA -0.228 3.942 4.170 0.000 0.000 0.251 413 I C 1.641 177.308 176.117 -0.750 0.000 1.129 413 I CA 1.066 61.596 61.300 -1.285 0.000 1.402 413 I CB 0.169 37.660 38.000 -0.849 0.000 1.069 413 I HN 0.261 nan 8.210 nan 0.000 0.424 414 I N -2.528 117.708 120.570 -0.556 0.000 3.914 414 I HA 0.305 4.475 4.170 0.000 0.000 0.333 414 I C 0.433 176.427 176.117 -0.205 0.000 1.449 414 I CA -0.268 60.869 61.300 -0.271 0.000 1.135 414 I CB -0.395 37.513 38.000 -0.154 0.000 1.073 414 I HN 0.139 nan 8.210 nan 0.000 0.401 415 N N 2.031 120.557 118.700 -0.291 0.000 2.738 415 N HA -0.147 4.594 4.740 0.000 0.000 0.249 415 N C -1.066 174.388 175.510 -0.094 0.000 1.047 415 N CA 0.743 53.715 53.050 -0.130 0.000 0.707 415 N CB -1.047 37.455 38.487 0.025 0.000 0.937 415 N HN 0.601 nan 8.380 nan 0.000 0.545 416 L N -0.543 120.594 121.223 -0.143 0.000 2.354 416 L HA 0.639 4.979 4.340 0.000 0.000 0.264 416 L C -2.001 174.816 176.870 -0.088 0.000 1.008 416 L CA -2.119 52.666 54.840 -0.092 0.000 0.819 416 L CB 1.935 43.938 42.059 -0.094 0.000 1.339 416 L HN -0.106 nan 8.230 nan 0.000 0.420 417 P HA 0.018 nan 4.420 nan 0.000 0.266 417 P C -0.681 176.589 177.300 -0.050 0.000 1.195 417 P CA -0.203 62.875 63.100 -0.037 0.000 0.768 417 P CB 0.584 32.271 31.700 -0.022 0.000 0.838 418 A N 3.318 126.111 122.820 -0.046 0.000 2.553 418 A HA 0.384 4.704 4.320 0.000 0.000 0.258 418 A C 1.460 179.028 177.584 -0.026 0.000 1.069 418 A CA 0.936 52.945 52.037 -0.046 0.000 0.767 418 A CB -1.589 17.401 19.000 -0.017 0.000 0.997 418 A HN 0.873 nan 8.150 nan 0.000 0.512 419 G N 1.964 110.751 108.800 -0.022 0.000 2.168 419 G HA2 -0.168 3.792 3.960 0.000 0.000 0.197 419 G HA3 -0.168 3.792 3.960 0.000 0.000 0.197 419 G C 0.302 175.228 174.900 0.043 0.000 0.997 419 G CA 0.388 45.502 45.100 0.022 0.000 0.658 419 G HN 0.735 nan 8.290 nan 0.000 0.513 420 E N -0.533 119.676 120.200 0.016 0.000 2.481 420 E HA 0.354 4.704 4.350 0.000 0.000 0.198 420 E C 0.498 177.129 176.600 0.053 0.000 1.027 420 E CA 0.609 57.029 56.400 0.033 0.000 0.900 420 E CB 1.373 31.078 29.700 0.009 0.000 0.993 420 E HN 0.747 nan 8.360 nan 0.000 0.482 421 V N -0.296 119.649 119.914 0.050 0.000 2.577 421 V HA 0.432 4.552 4.120 0.000 0.000 0.303 421 V C -1.198 174.994 176.094 0.164 0.000 1.042 421 V CA -0.974 61.383 62.300 0.096 0.000 0.872 421 V CB 1.213 33.042 31.823 0.011 0.000 0.998 421 V HN -0.041 nan 8.190 nan 0.000 0.423 422 F N 6.101 126.095 119.950 0.072 0.000 2.438 422 F HA 0.718 5.245 4.527 0.000 0.000 0.356 422 F C -0.027 175.845 175.800 0.120 0.000 1.099 422 F CA -0.007 58.047 58.000 0.090 0.000 1.185 422 F CB 1.427 40.498 39.000 0.118 0.000 1.115 422 F HN 0.503 nan 8.300 nan 0.000 0.526 423 V N 5.481 125.283 119.914 -0.186 0.000 2.604 423 V HA 0.300 4.420 4.120 0.000 0.000 0.305 423 V C -1.187 174.882 176.094 -0.042 0.000 1.043 423 V CA -0.831 61.450 62.300 -0.031 0.000 0.888 423 V CB 1.671 33.457 31.823 -0.062 0.000 0.995 423 V HN 0.711 nan 8.190 nan 0.000 0.429 424 H N 4.302 123.373 119.070 0.000 0.000 2.547 424 H HA 0.713 5.270 4.556 0.000 0.000 0.342 424 H C -0.642 174.719 175.328 0.056 0.000 1.048 424 H CA -0.731 55.311 56.048 -0.011 0.000 1.204 424 H CB 1.232 31.027 29.762 0.055 0.000 1.493 424 H HN 0.609 nan 8.280 nan 0.000 0.511 425 R N 3.849 124.162 120.500 -0.312 0.000 2.575 425 R HA 0.361 4.701 4.340 0.000 0.000 0.293 425 R C -0.901 175.278 176.300 -0.202 0.000 0.983 425 R CA -1.022 54.938 56.100 -0.233 0.000 0.887 425 R CB 1.526 31.755 30.300 -0.118 0.000 1.184 425 R HN 0.888 nan 8.270 nan 0.000 0.445 426 N N 1.052 119.642 118.700 -0.183 0.000 3.204 426 N HA 0.298 5.039 4.740 0.000 0.000 0.285 426 N C -0.909 174.541 175.510 -0.101 0.000 1.536 426 N CA -0.892 52.090 53.050 -0.113 0.000 0.832 426 N CB 0.631 39.115 38.487 -0.004 0.000 1.645 426 N HN 0.204 nan 8.380 nan 0.000 0.586 427 I N 0.780 121.292 120.570 -0.096 0.000 2.505 427 I HA 0.293 4.463 4.170 0.000 0.000 0.287 427 I C 0.965 177.180 176.117 0.162 0.000 1.104 427 I CA 0.560 61.833 61.300 -0.044 0.000 1.387 427 I CB -0.592 37.314 38.000 -0.156 0.000 1.404 427 I HN 0.928 nan 8.210 nan 0.000 0.528 428 A N 6.356 129.191 122.820 0.026 0.000 2.925 428 A HA -0.230 4.090 4.320 0.000 0.000 0.265 428 A C 0.948 178.530 177.584 -0.003 0.000 1.419 428 A CA 0.827 52.870 52.037 0.009 0.000 0.807 428 A CB -2.380 16.613 19.000 -0.012 0.000 1.043 428 A HN 1.066 nan 8.150 nan 0.000 0.600 429 N N -1.589 117.116 118.700 0.008 0.000 2.698 429 N HA -0.246 4.494 4.740 0.000 0.000 0.258 429 N C -0.245 175.205 175.510 -0.101 0.000 0.978 429 N CA 1.435 54.464 53.050 -0.036 0.000 0.777 429 N CB -1.013 37.453 38.487 -0.034 0.000 0.907 429 N HN 0.814 nan 8.380 nan 0.000 0.543 430 Q N -0.236 119.514 119.800 -0.084 0.000 2.327 430 Q HA 0.248 4.588 4.340 0.000 0.000 0.254 430 Q C 0.124 175.875 176.000 -0.414 0.000 0.952 430 Q CA -0.013 55.624 55.803 -0.277 0.000 0.884 430 Q CB 1.453 29.924 28.738 -0.445 0.000 1.224 430 Q HN 0.491 nan 8.270 nan 0.000 0.422 431 C N 3.783 122.682 119.300 -0.669 0.000 3.401 431 C HA 0.406 4.866 4.460 0.000 0.000 0.204 431 C C 0.568 174.967 174.990 -0.985 0.000 1.522 431 C CA -0.772 57.476 59.018 -1.284 0.000 1.409 431 C CB -1.073 25.956 27.740 -1.185 0.000 1.967 431 C HN 0.676 nan 8.230 nan 0.000 0.496 432 I N 2.306 122.449 120.570 -0.711 0.000 2.775 432 I HA -0.039 4.132 4.170 0.000 0.000 0.290 432 I C 1.885 177.878 176.117 -0.206 0.000 1.203 432 I CA 0.275 61.229 61.300 -0.576 0.000 1.433 432 I CB 0.540 38.156 38.000 -0.640 0.000 1.354 432 I HN 0.567 nan 8.210 nan 0.000 0.579 433 H N 3.449 122.465 119.070 -0.090 0.000 2.321 433 H HA -0.154 4.403 4.556 0.001 0.000 0.295 433 H C 1.893 177.281 175.328 0.099 0.000 1.102 433 H CA 2.112 58.181 56.048 0.035 0.000 1.266 433 H CB -0.186 29.568 29.762 -0.014 0.000 1.363 433 H HN 0.699 nan 8.280 nan 0.000 0.492 434 S N 0.297 116.118 115.700 0.202 0.000 2.582 434 S HA 0.057 4.527 4.470 0.000 0.000 0.234 434 S C 0.138 174.847 174.600 0.181 0.000 0.961 434 S CA -0.467 57.832 58.200 0.166 0.000 0.953 434 S CB 0.069 63.353 63.200 0.141 0.000 0.800 434 S HN 0.136 nan 8.310 nan 0.000 0.471 435 D N 1.793 122.330 120.400 0.228 0.000 2.352 435 D HA 0.231 4.872 4.640 0.000 0.000 0.245 435 D C 1.276 177.722 176.300 0.244 0.000 1.224 435 D CA -0.240 53.929 54.000 0.281 0.000 0.879 435 D CB 0.440 41.441 40.800 0.336 0.000 1.057 435 D HN -0.048 nan 8.370 nan 0.000 0.491 436 M N 2.241 121.975 119.600 0.222 0.000 2.159 436 M HA -0.147 4.333 4.480 0.000 0.000 0.263 436 M C 2.058 178.305 176.300 -0.087 0.000 1.063 436 M CA 0.901 56.291 55.300 0.151 0.000 1.110 436 M CB -1.131 31.669 32.600 0.334 0.000 1.374 436 M HN 0.476 nan 8.290 nan 0.000 0.411 437 S N 0.281 115.969 115.700 -0.021 0.000 2.356 437 S HA -0.178 4.293 4.470 0.000 0.000 0.223 437 S C 1.877 176.229 174.600 -0.414 0.000 1.032 437 S CA 1.363 59.318 58.200 -0.409 0.000 1.005 437 S CB -0.400 62.888 63.200 0.147 0.000 0.867 437 S HN 0.486 nan 8.310 nan 0.000 0.449 438 F N 1.787 121.616 119.950 -0.201 0.000 2.084 438 F HA -0.001 4.526 4.527 0.000 0.000 0.296 438 F C 1.855 177.504 175.800 -0.252 0.000 1.111 438 F CA 1.507 59.357 58.000 -0.250 0.000 1.224 438 F CB -0.364 38.667 39.000 0.053 0.000 0.991 438 F HN 0.181 nan 8.300 nan 0.000 0.471 439 L N 0.057 120.901 121.223 -0.632 0.000 2.079 439 L HA -0.234 4.106 4.340 0.000 0.000 0.210 439 L C 2.580 179.182 176.870 -0.446 0.000 1.081 439 L CA 1.429 55.877 54.840 -0.653 0.000 0.752 439 L CB -0.959 40.909 42.059 -0.318 0.000 0.896 439 L HN 0.185 nan 8.230 nan 0.000 0.433 440 S N -0.563 114.889 115.700 -0.413 0.000 2.368 440 S HA -0.133 4.337 4.470 0.000 0.000 0.224 440 S C 2.042 176.477 174.600 -0.276 0.000 1.029 440 S CA 1.215 59.201 58.200 -0.358 0.000 0.988 440 S CB -0.195 62.611 63.200 -0.657 0.000 0.838 440 S HN 0.165 nan 8.310 nan 0.000 0.462 441 V N 2.145 121.834 119.914 -0.375 0.000 2.343 441 V HA -0.128 3.993 4.120 0.000 0.000 0.247 441 V C 2.217 178.309 176.094 -0.003 0.000 1.051 441 V CA 1.339 63.570 62.300 -0.115 0.000 1.036 441 V CB -0.657 30.994 31.823 -0.285 0.000 0.654 441 V HN 0.408 nan 8.190 nan 0.000 0.451 442 L N -0.266 120.821 121.223 -0.226 0.000 1.970 442 L HA -0.288 4.052 4.340 0.000 0.000 0.212 442 L C 2.741 179.494 176.870 -0.195 0.000 1.071 442 L CA 2.383 57.085 54.840 -0.230 0.000 0.751 442 L CB -0.464 41.293 42.059 -0.503 0.000 0.889 442 L HN 0.460 nan 8.230 nan 0.000 0.432 443 Q N -1.083 118.584 119.800 -0.221 0.000 2.061 443 Q HA -0.316 4.024 4.340 0.000 0.000 0.204 443 Q C 2.225 178.093 176.000 -0.219 0.000 0.984 443 Q CA 2.314 57.980 55.803 -0.228 0.000 0.846 443 Q CB -0.429 28.205 28.738 -0.174 0.000 0.902 443 Q HN 0.527 nan 8.270 nan 0.000 0.421 444 Y N 0.310 120.530 120.300 -0.134 0.000 2.128 444 Y HA -0.285 4.265 4.550 0.000 0.000 0.284 444 Y C 2.090 177.867 175.900 -0.204 0.000 1.154 444 Y CA 2.025 60.110 58.100 -0.025 0.000 1.149 444 Y CB -0.462 38.027 38.460 0.048 0.000 0.976 444 Y HN 0.265 nan 8.280 nan 0.000 0.505 445 A N -1.069 121.643 122.820 -0.180 0.000 1.854 445 A HA -0.098 4.222 4.320 0.000 0.000 0.214 445 A C 2.312 179.732 177.584 -0.274 0.000 1.192 445 A CA 1.906 53.747 52.037 -0.328 0.000 0.611 445 A CB -1.219 17.704 19.000 -0.128 0.000 0.832 445 A HN 0.300 nan 8.150 nan 0.000 0.442 446 V N -0.217 119.556 119.914 -0.234 0.000 2.283 446 V HA -0.245 3.876 4.120 0.000 0.000 0.243 446 V C 2.707 178.625 176.094 -0.293 0.000 1.039 446 V CA 2.213 64.374 62.300 -0.231 0.000 1.016 446 V CB -0.775 30.911 31.823 -0.228 0.000 0.650 446 V HN 0.737 nan 8.190 nan 0.000 0.449 447 Q N -1.395 118.149 119.800 -0.427 0.000 2.096 447 Q HA -0.131 4.210 4.340 0.000 0.000 0.197 447 Q C 2.156 177.801 176.000 -0.591 0.000 0.964 447 Q CA 1.764 57.224 55.803 -0.573 0.000 0.838 447 Q CB -0.049 28.180 28.738 -0.849 0.000 0.906 447 Q HN 0.775 nan 8.270 nan 0.000 0.444 448 Y N -0.578 119.539 120.300 -0.304 0.000 2.301 448 Y HA 0.036 4.587 4.550 0.000 0.000 0.295 448 Y C 1.991 177.654 175.900 -0.396 0.000 1.126 448 Y CA 0.175 58.049 58.100 -0.377 0.000 1.154 448 Y CB 0.293 38.431 38.460 -0.537 0.000 1.075 448 Y HN 0.010 nan 8.280 nan 0.000 0.534 449 L N -0.011 120.990 121.223 -0.370 0.000 2.313 449 L HA -0.049 4.291 4.340 0.000 0.000 0.214 449 L C 0.267 177.024 176.870 -0.188 0.000 1.119 449 L CA 0.552 55.212 54.840 -0.300 0.000 0.809 449 L CB -0.232 41.587 42.059 -0.400 0.000 0.933 449 L HN 0.148 nan 8.230 nan 0.000 0.449 450 K N 0.402 120.688 120.400 -0.190 0.000 3.162 450 K HA -0.126 4.194 4.320 0.000 0.000 0.268 450 K C -0.170 176.375 176.600 -0.092 0.000 1.062 450 K CA 0.579 56.788 56.287 -0.129 0.000 0.769 450 K CB -2.502 29.945 32.500 -0.088 0.000 1.274 450 K HN 0.315 nan 8.250 nan 0.000 0.478 451 V N -1.255 118.599 119.914 -0.101 0.000 2.843 451 V HA 0.144 4.264 4.120 0.000 0.000 0.305 451 V C 1.633 177.716 176.094 -0.017 0.000 1.065 451 V CA -0.194 62.078 62.300 -0.048 0.000 1.116 451 V CB 1.059 32.864 31.823 -0.029 0.000 0.968 451 V HN 0.138 nan 8.190 nan 0.000 0.487 452 K N 2.279 122.686 120.400 0.011 0.000 2.243 452 K HA 0.197 4.517 4.320 0.000 0.000 0.201 452 K C 0.686 177.318 176.600 0.053 0.000 1.051 452 K CA 0.793 57.100 56.287 0.033 0.000 0.970 452 K CB -0.034 32.487 32.500 0.035 0.000 0.755 452 K HN 0.722 nan 8.250 nan 0.000 0.465 453 R N -0.427 120.103 120.500 0.051 0.000 2.744 453 R HA 0.437 4.777 4.340 0.000 0.000 0.279 453 R C -1.339 174.997 176.300 0.059 0.000 0.977 453 R CA -0.477 55.660 56.100 0.061 0.000 0.906 453 R CB 2.452 32.787 30.300 0.058 0.000 1.197 453 R HN -0.260 nan 8.270 nan 0.000 0.463 454 V N 3.079 123.024 119.914 0.051 0.000 2.444 454 V HA 0.441 4.561 4.120 0.000 0.000 0.294 454 V C -0.847 175.244 176.094 -0.005 0.000 1.022 454 V CA -0.776 61.550 62.300 0.044 0.000 0.850 454 V CB 1.933 33.780 31.823 0.040 0.000 0.992 454 V HN 0.449 nan 8.190 nan 0.000 0.426 455 V N 5.859 125.725 119.914 -0.079 0.000 2.384 455 V HA 0.432 4.552 4.120 0.000 0.000 0.287 455 V C -0.104 175.738 176.094 -0.421 0.000 1.020 455 V CA -0.619 61.508 62.300 -0.288 0.000 0.850 455 V CB 1.936 33.452 31.823 -0.511 0.000 0.987 455 V HN 0.592 nan 8.190 nan 0.000 0.436 456 V N 4.557 124.285 119.914 -0.310 0.000 2.350 456 V HA 0.299 4.420 4.120 0.000 0.000 0.276 456 V C 0.041 175.923 176.094 -0.353 0.000 1.028 456 V CA -0.337 61.796 62.300 -0.279 0.000 0.860 456 V CB 1.325 33.066 31.823 -0.137 0.000 0.990 456 V HN 0.998 nan 8.190 nan 0.000 0.453 457 C N 5.355 124.399 119.300 -0.427 0.000 2.319 457 C HA 0.877 5.337 4.460 0.000 0.000 0.323 457 C C 0.789 175.764 174.990 -0.025 0.000 1.277 457 C CA -0.142 58.721 59.018 -0.260 0.000 1.517 457 C CB -0.198 27.335 27.740 -0.346 0.000 2.206 457 C HN 1.026 nan 8.230 nan 0.000 0.486 458 G N 3.327 112.118 108.800 -0.014 0.000 2.601 458 G HA2 0.775 4.736 3.960 0.000 0.000 0.317 458 G HA3 0.775 4.736 3.960 0.000 0.000 0.317 458 G C -1.278 173.593 174.900 -0.048 0.000 1.246 458 G CA -0.463 44.631 45.100 -0.011 0.000 1.012 458 G HN 1.045 nan 8.290 nan 0.000 0.494 459 H N -2.876 116.009 119.070 -0.308 0.000 2.974 459 H HA 0.497 5.053 4.556 0.000 0.000 0.366 459 H C -1.479 173.635 175.328 -0.357 0.000 1.155 459 H CA -1.131 54.582 56.048 -0.559 0.000 1.186 459 H CB 0.869 30.242 29.762 -0.648 0.000 1.799 459 H HN 0.488 nan 8.280 nan 0.000 0.541 460 Y N 1.582 121.734 120.300 -0.247 0.000 2.578 460 Y HA 0.212 4.763 4.550 0.000 0.000 0.339 460 Y C 1.455 177.243 175.900 -0.186 0.000 1.231 460 Y CA 0.661 58.657 58.100 -0.173 0.000 1.461 460 Y CB 0.691 39.105 38.460 -0.076 0.000 1.323 460 Y HN 1.110 nan 8.280 nan 0.000 0.590 461 A N 1.010 123.858 122.820 0.046 0.000 2.899 461 A HA -0.297 4.023 4.320 0.000 0.000 0.257 461 A C 0.687 178.211 177.584 -0.100 0.000 1.335 461 A CA 0.405 52.438 52.037 -0.006 0.000 0.924 461 A CB -2.220 16.812 19.000 0.053 0.000 1.105 461 A HN 0.886 nan 8.150 nan 0.000 0.765 462 C N 0.760 119.857 119.300 -0.338 0.000 2.409 462 C HA 0.356 4.817 4.460 0.000 0.000 0.398 462 C C 2.126 177.055 174.990 -0.100 0.000 1.507 462 C CA 0.792 59.544 59.018 -0.443 0.000 1.460 462 C CB -0.992 26.402 27.740 -0.577 0.000 2.472 462 C HN 1.354 nan 8.230 nan 0.000 0.614 463 G N 4.662 113.491 108.800 0.049 0.000 2.443 463 G HA2 0.010 3.971 3.960 0.000 0.000 0.219 463 G HA3 0.010 3.971 3.960 0.000 0.000 0.219 463 G C 1.530 176.463 174.900 0.055 0.000 1.131 463 G CA 0.914 46.089 45.100 0.126 0.000 0.775 463 G HN 1.053 nan 8.290 nan 0.000 0.547 464 G N 0.175 108.914 108.800 -0.102 0.000 2.402 464 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 464 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 464 G C 1.826 176.660 174.900 -0.109 0.000 1.162 464 G CA 1.296 46.239 45.100 -0.262 0.000 0.777 464 G HN 0.439 nan 8.290 nan 0.000 0.539 465 C N 0.844 120.095 119.300 -0.080 0.000 2.446 465 C HA 0.238 4.698 4.460 0.000 0.000 0.277 465 C C 3.530 178.506 174.990 -0.024 0.000 1.275 465 C CA 0.751 59.734 59.018 -0.057 0.000 1.727 465 C CB -0.837 26.858 27.740 -0.074 0.000 2.010 465 C HN 0.557 nan 8.230 nan 0.000 0.486 466 A N 0.588 123.404 122.820 -0.007 0.000 1.902 466 A HA 0.061 4.381 4.320 0.000 0.000 0.217 466 A C 2.348 179.964 177.584 0.054 0.000 1.181 466 A CA 1.995 54.047 52.037 0.026 0.000 0.623 466 A CB -0.837 18.189 19.000 0.044 0.000 0.818 466 A HN 0.569 nan 8.150 nan 0.000 0.443 467 A N -0.187 122.669 122.820 0.059 0.000 1.972 467 A HA 0.198 4.518 4.320 0.000 0.000 0.219 467 A C 2.400 180.035 177.584 0.085 0.000 1.169 467 A CA 1.782 53.877 52.037 0.098 0.000 0.635 467 A CB -0.855 18.120 19.000 -0.042 0.000 0.810 467 A HN 1.074 nan 8.150 nan 0.000 0.446 468 A N -0.319 122.521 122.820 0.032 0.000 2.070 468 A HA 0.029 4.350 4.320 0.000 0.000 0.220 468 A C 1.876 179.476 177.584 0.027 0.000 1.159 468 A CA 1.359 53.412 52.037 0.026 0.000 0.656 468 A CB -0.486 18.509 19.000 -0.008 0.000 0.800 468 A HN 0.508 nan 8.150 nan 0.000 0.453 469 L N -1.125 120.117 121.223 0.031 0.000 2.567 469 L HA 0.208 4.549 4.340 0.000 0.000 0.225 469 L C 1.611 178.504 176.870 0.039 0.000 1.119 469 L CA -0.072 54.782 54.840 0.024 0.000 0.871 469 L CB -0.452 41.616 42.059 0.016 0.000 1.036 469 L HN 0.371 nan 8.230 nan 0.000 0.459 470 G N -0.440 108.401 108.800 0.068 0.000 2.535 470 G HA2 0.118 4.079 3.960 0.000 0.000 0.282 470 G HA3 0.118 4.079 3.960 0.000 0.000 0.282 470 G C -0.135 174.803 174.900 0.063 0.000 1.350 470 G CA -0.281 44.865 45.100 0.076 0.000 1.039 470 G HN 0.070 nan 8.290 nan 0.000 0.509 471 D N -0.688 119.743 120.400 0.052 0.000 2.424 471 D HA 0.142 4.783 4.640 0.000 0.000 0.220 471 D C 0.936 177.254 176.300 0.031 0.000 1.150 471 D CA -0.040 53.979 54.000 0.032 0.000 0.831 471 D CB 0.582 41.390 40.800 0.013 0.000 0.981 471 D HN 0.203 nan 8.370 nan 0.000 0.500 472 S N 0.802 116.537 115.700 0.058 0.000 2.562 472 S HA 0.074 4.545 4.470 0.000 0.000 0.281 472 S C 0.962 175.591 174.600 0.049 0.000 1.333 472 S CA -0.134 58.088 58.200 0.036 0.000 1.052 472 S CB 0.599 63.838 63.200 0.066 0.000 0.884 472 S HN -0.003 nan 8.310 nan 0.000 0.506 473 R N 3.817 124.327 120.500 0.016 0.000 2.696 473 R HA 0.246 4.586 4.340 0.000 0.000 0.355 473 R C -0.581 175.735 176.300 0.026 0.000 1.138 473 R CA -0.144 55.970 56.100 0.023 0.000 1.059 473 R CB -0.468 29.835 30.300 0.005 0.000 1.380 473 R HN 0.594 nan 8.270 nan 0.000 0.578 474 L N 0.398 121.648 121.223 0.045 0.000 2.500 474 L HA 0.100 4.440 4.340 0.000 0.000 0.272 474 L C 1.851 178.758 176.870 0.063 0.000 1.149 474 L CA -0.042 54.826 54.840 0.047 0.000 0.897 474 L CB 0.614 42.719 42.059 0.076 0.000 1.178 474 L HN 0.274 nan 8.230 nan 0.000 0.473 475 G N 4.082 112.903 108.800 0.035 0.000 2.545 475 G HA2 -0.244 3.717 3.960 0.000 0.000 0.222 475 G HA3 -0.244 3.717 3.960 0.000 0.000 0.222 475 G C 1.255 176.188 174.900 0.054 0.000 1.126 475 G CA 1.043 46.165 45.100 0.038 0.000 0.754 475 G HN 0.579 nan 8.290 nan 0.000 0.583 476 L N -1.031 120.219 121.223 0.045 0.000 2.269 476 L HA 0.347 4.687 4.340 0.000 0.000 0.200 476 L C 2.415 179.339 176.870 0.090 0.000 1.069 476 L CA 0.033 54.899 54.840 0.044 0.000 0.804 476 L CB -0.329 41.710 42.059 -0.033 0.000 0.987 476 L HN 0.128 nan 8.230 nan 0.000 0.468 477 I N 0.332 120.960 120.570 0.096 0.000 2.252 477 I HA -0.217 3.953 4.170 0.000 0.000 0.245 477 I C 1.783 178.035 176.117 0.226 0.000 1.102 477 I CA 1.707 63.097 61.300 0.149 0.000 1.385 477 I CB -0.327 37.797 38.000 0.208 0.000 1.064 477 I HN 0.218 nan 8.210 nan 0.000 0.414 478 D N 0.229 120.749 120.400 0.199 0.000 2.317 478 D HA -0.085 4.555 4.640 0.000 0.000 0.211 478 D C 1.592 177.970 176.300 0.131 0.000 0.966 478 D CA 0.566 54.669 54.000 0.171 0.000 0.876 478 D CB -0.267 40.626 40.800 0.155 0.000 0.927 478 D HN 0.436 nan 8.370 nan 0.000 0.519 479 N N 0.153 118.939 118.700 0.142 0.000 2.333 479 N HA -0.087 4.653 4.740 0.000 0.000 0.178 479 N C 1.682 177.285 175.510 0.155 0.000 1.018 479 N CA 0.207 53.321 53.050 0.107 0.000 0.882 479 N CB -0.125 38.421 38.487 0.100 0.000 0.984 479 N HN 0.397 nan 8.380 nan 0.000 0.434 480 W N 2.284 123.612 121.300 0.047 0.000 2.355 480 W HA -0.078 4.582 4.660 0.000 0.000 0.309 480 W C 1.258 177.833 176.519 0.094 0.000 1.206 480 W CA 0.767 58.168 57.345 0.093 0.000 1.284 480 W CB -0.338 29.150 29.460 0.046 0.000 1.145 480 W HN -0.013 nan 8.180 nan 0.000 0.502 481 L N 1.164 122.501 121.223 0.191 0.000 2.362 481 L HA -0.166 4.174 4.340 0.000 0.000 0.219 481 L C 2.616 179.456 176.870 -0.051 0.000 1.134 481 L CA 0.600 55.467 54.840 0.044 0.000 0.807 481 L CB -0.797 41.319 42.059 0.095 0.000 0.927 481 L HN -0.174 nan 8.230 nan 0.000 0.447 482 R N -0.192 120.256 120.500 -0.086 0.000 2.200 482 R HA -0.176 4.164 4.340 0.000 0.000 0.234 482 R C 1.912 178.062 176.300 -0.249 0.000 1.127 482 R CA 1.203 57.205 56.100 -0.163 0.000 0.989 482 R CB -0.792 29.394 30.300 -0.191 0.000 0.869 482 R HN 0.515 nan 8.270 nan 0.000 0.459 483 H N -0.569 118.393 119.070 -0.181 0.000 2.423 483 H HA 0.003 4.559 4.556 0.000 0.000 0.297 483 H C 1.854 177.076 175.328 -0.177 0.000 1.075 483 H CA 1.371 57.291 56.048 -0.213 0.000 1.342 483 H CB 0.005 29.553 29.762 -0.356 0.000 1.395 483 H HN 0.062 nan 8.280 nan 0.000 0.530 484 I N -0.079 120.451 120.570 -0.067 0.000 2.546 484 I HA -0.176 3.995 4.170 0.000 0.000 0.255 484 I C 2.195 178.274 176.117 -0.063 0.000 1.163 484 I CA 0.653 61.913 61.300 -0.067 0.000 1.457 484 I CB 0.027 37.988 38.000 -0.066 0.000 1.092 484 I HN 0.134 nan 8.210 nan 0.000 0.434 485 R N 0.615 121.069 120.500 -0.077 0.000 2.092 485 R HA -0.129 4.211 4.340 0.000 0.000 0.231 485 R C 1.660 177.888 176.300 -0.121 0.000 1.119 485 R CA 1.253 57.301 56.100 -0.086 0.000 0.970 485 R CB -0.709 29.539 30.300 -0.086 0.000 0.864 485 R HN 0.345 nan 8.270 nan 0.000 0.440 486 D N 0.081 120.406 120.400 -0.125 0.000 2.117 486 D HA -0.109 4.531 4.640 0.000 0.000 0.197 486 D C 1.998 178.228 176.300 -0.116 0.000 0.987 486 D CA 0.867 54.767 54.000 -0.166 0.000 0.829 486 D CB -0.146 40.637 40.800 -0.028 0.000 0.961 486 D HN -0.028 nan 8.370 nan 0.000 0.460 487 V N 0.808 120.707 119.914 -0.025 0.000 2.343 487 V HA -0.229 3.892 4.120 0.000 0.000 0.247 487 V C 2.542 178.630 176.094 -0.009 0.000 1.051 487 V CA 1.574 63.884 62.300 0.017 0.000 1.036 487 V CB -0.431 31.389 31.823 -0.005 0.000 0.654 487 V HN 0.138 nan 8.190 nan 0.000 0.451 488 R N 0.138 120.610 120.500 -0.047 0.000 2.070 488 R HA -0.210 4.130 4.340 0.000 0.000 0.232 488 R C 2.596 178.857 176.300 -0.065 0.000 1.138 488 R CA 2.137 58.211 56.100 -0.044 0.000 0.936 488 R CB -0.347 29.924 30.300 -0.049 0.000 0.839 488 R HN 0.434 nan 8.270 nan 0.000 0.429 489 R N -0.380 120.035 120.500 -0.142 0.000 2.103 489 R HA -0.184 4.157 4.340 0.000 0.000 0.242 489 R C 1.397 177.595 176.300 -0.170 0.000 1.142 489 R CA 2.205 58.185 56.100 -0.201 0.000 0.960 489 R CB -0.292 29.808 30.300 -0.333 0.000 0.858 489 R HN 0.511 nan 8.270 nan 0.000 0.439 490 H N -1.045 118.021 119.070 -0.006 0.000 2.547 490 H HA 0.179 4.735 4.556 0.000 0.000 0.266 490 H C 0.217 175.550 175.328 0.009 0.000 0.988 490 H CA 0.160 56.209 56.048 0.001 0.000 1.147 490 H CB 0.326 30.088 29.762 0.001 0.000 1.365 490 H HN 0.264 nan 8.280 nan 0.000 0.589 491 N N 0.211 118.963 118.700 0.087 0.000 2.377 491 N HA -0.010 4.730 4.740 0.000 0.000 0.259 491 N C 0.637 176.168 175.510 0.035 0.000 1.332 491 N CA 0.065 53.154 53.050 0.064 0.000 0.877 491 N CB 0.911 39.434 38.487 0.059 0.000 1.299 491 N HN 0.315 nan 8.380 nan 0.000 0.501 492 Q N 0.763 120.579 119.800 0.025 0.000 2.226 492 Q HA 0.001 4.341 4.340 0.000 0.000 0.204 492 Q C 1.999 178.010 176.000 0.017 0.000 0.975 492 Q CA 0.691 56.502 55.803 0.013 0.000 0.866 492 Q CB 0.015 28.756 28.738 0.004 0.000 0.915 492 Q HN 0.408 nan 8.270 nan 0.000 0.440 493 A N 1.255 124.090 122.820 0.025 0.000 1.873 493 A HA -0.263 4.058 4.320 0.000 0.000 0.218 493 A C 2.093 179.688 177.584 0.019 0.000 1.193 493 A CA 2.038 54.088 52.037 0.022 0.000 0.629 493 A CB -0.442 18.575 19.000 0.028 0.000 0.826 493 A HN 0.345 nan 8.150 nan 0.000 0.447 494 E N 0.030 120.244 120.200 0.023 0.000 2.076 494 E HA -0.024 4.326 4.350 0.000 0.000 0.190 494 E C 1.849 178.458 176.600 0.015 0.000 0.979 494 E CA 1.035 57.447 56.400 0.020 0.000 0.807 494 E CB -0.474 29.242 29.700 0.026 0.000 0.761 494 E HN 0.550 nan 8.360 nan 0.000 0.454 495 L N 0.352 121.584 121.223 0.015 0.000 2.083 495 L HA -0.140 4.200 4.340 0.000 0.000 0.209 495 L C 2.441 179.314 176.870 0.005 0.000 1.083 495 L CA 1.280 56.125 54.840 0.009 0.000 0.752 495 L CB -0.457 41.606 42.059 0.006 0.000 0.899 495 L HN 0.103 nan 8.230 nan 0.000 0.433 496 S N -0.150 115.553 115.700 0.005 0.000 2.400 496 S HA -0.179 4.291 4.470 0.000 0.000 0.232 496 S C 1.953 176.554 174.600 0.002 0.000 1.025 496 S CA 1.194 59.396 58.200 0.003 0.000 0.993 496 S CB -0.261 62.941 63.200 0.004 0.000 0.808 496 S HN 0.421 nan 8.310 nan 0.000 0.478 497 R N 0.395 120.897 120.500 0.003 0.000 2.193 497 R HA 0.076 4.417 4.340 0.000 0.000 0.229 497 R C 0.133 176.432 176.300 -0.001 0.000 1.110 497 R CA 0.687 56.788 56.100 0.001 0.000 0.988 497 R CB -0.302 29.999 30.300 0.003 0.000 0.871 497 R HN 0.396 nan 8.270 nan 0.000 0.458 498 I N -0.414 120.155 120.570 -0.002 0.000 2.354 498 I HA 0.115 4.285 4.170 0.000 0.000 0.292 498 I C 0.808 176.922 176.117 -0.006 0.000 0.989 498 I CA -0.185 61.112 61.300 -0.005 0.000 1.188 498 I CB 2.091 40.087 38.000 -0.007 0.000 1.342 498 I HN -0.170 nan 8.210 nan 0.000 0.457 499 T N 2.124 116.674 114.554 -0.007 0.000 2.978 499 T HA 0.004 4.355 4.350 0.000 0.000 0.248 499 T C 0.386 175.081 174.700 -0.007 0.000 1.018 499 T CA 0.069 62.165 62.100 -0.006 0.000 1.026 499 T CB -0.031 68.834 68.868 -0.005 0.000 1.032 499 T HN 0.718 nan 8.240 nan 0.000 0.485 500 D N 1.850 122.244 120.400 -0.010 0.000 2.401 500 D HA 0.110 4.751 4.640 0.000 0.000 0.254 500 D C -1.559 174.734 176.300 -0.012 0.000 1.192 500 D CA -1.473 52.520 54.000 -0.012 0.000 0.885 500 D CB 1.429 42.219 40.800 -0.017 0.000 1.147 500 D HN 0.066 nan 8.370 nan 0.000 0.478 501 P HA -0.251 nan 4.420 nan 0.000 0.215 501 P C 1.172 178.467 177.300 -0.009 0.000 1.163 501 P CA 1.397 64.494 63.100 -0.006 0.000 0.894 501 P CB 0.103 31.802 31.700 -0.002 0.000 0.791 502 K N -0.330 120.062 120.400 -0.014 0.000 1.991 502 K HA -0.212 4.109 4.320 0.000 0.000 0.212 502 K C 1.633 178.210 176.600 -0.038 0.000 1.049 502 K CA 2.186 58.460 56.287 -0.022 0.000 0.932 502 K CB -0.674 31.809 32.500 -0.028 0.000 0.717 502 K HN 0.014 nan 8.250 nan 0.000 0.441 503 D N -0.091 120.282 120.400 -0.046 0.000 2.144 503 D HA -0.130 4.510 4.640 0.000 0.000 0.199 503 D C 1.936 178.216 176.300 -0.033 0.000 0.984 503 D CA 1.185 55.150 54.000 -0.058 0.000 0.834 503 D CB -0.307 40.462 40.800 -0.052 0.000 0.955 503 D HN 0.240 nan 8.370 nan 0.000 0.465 504 S N -0.067 115.622 115.700 -0.019 0.000 2.383 504 S HA -0.072 4.398 4.470 0.000 0.000 0.227 504 S C 1.924 176.523 174.600 -0.001 0.000 1.026 504 S CA 0.362 58.558 58.200 -0.007 0.000 0.981 504 S CB -0.203 62.994 63.200 -0.006 0.000 0.818 504 S HN 0.249 nan 8.310 nan 0.000 0.472 505 L N 1.493 122.715 121.223 -0.002 0.000 2.027 505 L HA -0.079 4.261 4.340 0.000 0.000 0.206 505 L C 2.128 179.012 176.870 0.022 0.000 1.074 505 L CA 1.818 56.661 54.840 0.004 0.000 0.745 505 L CB -0.887 41.174 42.059 0.003 0.000 0.898 505 L HN 0.489 nan 8.230 nan 0.000 0.433 506 N N -0.577 118.139 118.700 0.028 0.000 2.289 506 N HA -0.253 4.487 4.740 0.000 0.000 0.184 506 N C 1.829 177.411 175.510 0.120 0.000 1.016 506 N CA 0.757 53.866 53.050 0.098 0.000 0.872 506 N CB 0.037 38.487 38.487 -0.061 0.000 0.973 506 N HN 0.187 nan 8.380 nan 0.000 0.433 507 R N 1.680 122.212 120.500 0.052 0.000 2.073 507 R HA 0.085 4.425 4.340 0.000 0.000 0.229 507 R C 2.042 178.372 176.300 0.050 0.000 1.120 507 R CA 0.762 56.895 56.100 0.055 0.000 0.967 507 R CB -0.793 29.523 30.300 0.027 0.000 0.862 507 R HN 0.182 nan 8.270 nan 0.000 0.436 508 L N 0.167 121.408 121.223 0.030 0.000 2.042 508 L HA -0.163 4.177 4.340 0.000 0.000 0.210 508 L C 2.054 178.929 176.870 0.009 0.000 1.076 508 L CA 1.728 56.577 54.840 0.015 0.000 0.749 508 L CB -0.279 41.780 42.059 0.001 0.000 0.893 508 L HN 0.316 nan 8.230 nan 0.000 0.432 509 I N -0.227 120.352 120.570 0.016 0.000 2.286 509 I HA -0.320 3.850 4.170 0.000 0.000 0.248 509 I C 2.335 178.449 176.117 -0.006 0.000 1.115 509 I CA 1.311 62.603 61.300 -0.013 0.000 1.392 509 I CB -0.150 37.842 38.000 -0.013 0.000 1.065 509 I HN 0.344 nan 8.210 nan 0.000 0.418 510 E N 0.838 121.067 120.200 0.048 0.000 2.046 510 E HA -0.154 4.196 4.350 0.000 0.000 0.190 510 E C 2.269 178.893 176.600 0.041 0.000 0.982 510 E CA 1.141 57.572 56.400 0.052 0.000 0.800 510 E CB -0.012 29.751 29.700 0.105 0.000 0.756 510 E HN 0.462 nan 8.360 nan 0.000 0.449 511 I N 1.761 122.357 120.570 0.043 0.000 2.394 511 I HA -0.246 3.925 4.170 0.000 0.000 0.251 511 I C 2.458 178.592 176.117 0.027 0.000 1.136 511 I CA 0.666 61.994 61.300 0.047 0.000 1.425 511 I CB -0.372 37.656 38.000 0.047 0.000 1.079 511 I HN 0.193 nan 8.210 nan 0.000 0.425 512 N N 1.178 119.877 118.700 -0.002 0.000 2.120 512 N HA -0.155 4.586 4.740 0.000 0.000 0.188 512 N C 1.945 177.427 175.510 -0.047 0.000 1.024 512 N CA 1.336 54.363 53.050 -0.038 0.000 0.852 512 N CB 0.190 38.642 38.487 -0.058 0.000 1.003 512 N HN 0.123 nan 8.380 nan 0.000 0.424 513 V N 2.117 122.013 119.914 -0.030 0.000 2.343 513 V HA -0.187 3.934 4.120 0.000 0.000 0.247 513 V C 2.550 178.657 176.094 0.022 0.000 1.051 513 V CA 0.999 63.283 62.300 -0.028 0.000 1.036 513 V CB -0.584 31.225 31.823 -0.024 0.000 0.654 513 V HN 0.415 nan 8.190 nan 0.000 0.451 514 L N 0.054 121.320 121.223 0.072 0.000 2.017 514 L HA -0.186 4.154 4.340 0.000 0.000 0.208 514 L C 2.540 179.497 176.870 0.145 0.000 1.073 514 L CA 2.329 57.278 54.840 0.181 0.000 0.745 514 L CB -0.734 41.435 42.059 0.182 0.000 0.894 514 L HN 0.396 nan 8.230 nan 0.000 0.432 515 E N -0.463 119.765 120.200 0.046 0.000 2.110 515 E HA -0.226 4.125 4.350 0.000 0.000 0.193 515 E C 2.175 178.695 176.600 -0.134 0.000 0.988 515 E CA 1.137 57.514 56.400 -0.039 0.000 0.804 515 E CB 0.082 29.753 29.700 -0.048 0.000 0.745 515 E HN 0.424 nan 8.360 nan 0.000 0.458 516 Q N -0.638 119.081 119.800 -0.134 0.000 2.172 516 Q HA -0.051 4.289 4.340 0.000 0.000 0.200 516 Q C 2.214 178.128 176.000 -0.144 0.000 0.964 516 Q CA 1.114 56.792 55.803 -0.208 0.000 0.855 516 Q CB -0.291 28.313 28.738 -0.222 0.000 0.918 516 Q HN 0.425 nan 8.270 nan 0.000 0.444 517 M N -0.748 118.832 119.600 -0.034 0.000 2.117 517 M HA -0.193 4.287 4.480 0.000 0.000 0.262 517 M C 2.128 178.416 176.300 -0.020 0.000 1.065 517 M CA 1.533 56.880 55.300 0.077 0.000 1.114 517 M CB -0.470 32.312 32.600 0.302 0.000 1.361 517 M HN 0.343 nan 8.290 nan 0.000 0.408 518 H N 0.344 119.086 119.070 -0.547 0.000 2.319 518 H HA -0.186 4.371 4.556 0.000 0.000 0.297 518 H C 1.803 176.909 175.328 -0.370 0.000 1.097 518 H CA 1.674 57.106 56.048 -1.026 0.000 1.285 518 H CB 0.207 29.303 29.762 -1.110 0.000 1.368 518 H HN 0.338 nan 8.280 nan 0.000 0.495 519 N N 0.237 118.851 118.700 -0.144 0.000 2.104 519 N HA -0.171 4.569 4.740 0.000 0.000 0.190 519 N C 2.148 177.693 175.510 0.058 0.000 1.024 519 N CA 1.363 54.354 53.050 -0.099 0.000 0.853 519 N CB -0.661 37.607 38.487 -0.365 0.000 1.008 519 N HN 0.413 nan 8.380 nan 0.000 0.424 520 V N -0.502 119.449 119.914 0.063 0.000 2.515 520 V HA -0.138 3.982 4.120 0.000 0.000 0.250 520 V C 2.126 178.243 176.094 0.039 0.000 1.058 520 V CA 1.400 63.801 62.300 0.168 0.000 1.064 520 V CB -0.861 31.082 31.823 0.200 0.000 0.675 520 V HN 0.316 nan 8.190 nan 0.000 0.461 521 C N 1.033 120.369 119.300 0.061 0.000 2.435 521 C HA 0.195 4.655 4.460 0.000 0.000 0.279 521 C C 3.078 178.110 174.990 0.070 0.000 1.321 521 C CA 0.996 60.055 59.018 0.068 0.000 1.752 521 C CB -1.459 26.493 27.740 0.352 0.000 1.959 521 C HN 0.734 nan 8.230 nan 0.000 0.500 522 A N 0.318 123.208 122.820 0.117 0.000 2.208 522 A HA 0.089 4.409 4.320 0.000 0.000 0.209 522 A C 1.221 178.834 177.584 0.049 0.000 1.161 522 A CA 1.021 53.121 52.037 0.105 0.000 0.782 522 A CB -0.754 18.308 19.000 0.103 0.000 0.816 522 A HN 0.667 nan 8.150 nan 0.000 0.477 523 T N -1.403 113.169 114.554 0.030 0.000 2.926 523 T HA 0.254 4.604 4.350 0.000 0.000 0.307 523 T C 1.297 175.959 174.700 -0.063 0.000 1.059 523 T CA 0.231 62.328 62.100 -0.005 0.000 1.122 523 T CB 1.087 69.930 68.868 -0.041 0.000 0.972 523 T HN 0.550 nan 8.240 nan 0.000 0.545 524 S N 2.555 118.220 115.700 -0.058 0.000 2.400 524 S HA -0.148 4.322 4.470 0.000 0.000 0.232 524 S C 1.885 176.422 174.600 -0.106 0.000 1.025 524 S CA 1.003 59.164 58.200 -0.064 0.000 0.993 524 S CB -0.944 62.225 63.200 -0.051 0.000 0.808 524 S HN 0.736 nan 8.310 nan 0.000 0.478 525 I N 1.207 121.688 120.570 -0.148 0.000 2.142 525 I HA -0.128 4.042 4.170 0.000 0.000 0.240 525 I C 2.467 178.431 176.117 -0.254 0.000 1.078 525 I CA 1.219 62.399 61.300 -0.200 0.000 1.343 525 I CB -0.514 37.345 38.000 -0.235 0.000 1.046 525 I HN 0.217 nan 8.210 nan 0.000 0.405 526 V N 0.131 119.853 119.914 -0.320 0.000 2.453 526 V HA -0.198 3.922 4.120 0.000 0.000 0.247 526 V C 2.487 178.239 176.094 -0.570 0.000 1.048 526 V CA 1.387 63.345 62.300 -0.571 0.000 1.049 526 V CB -0.625 30.759 31.823 -0.733 0.000 0.672 526 V HN 0.415 nan 8.190 nan 0.000 0.457 527 Q N -0.088 119.553 119.800 -0.266 0.000 2.050 527 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 527 Q C 2.078 178.089 176.000 0.018 0.000 0.980 527 Q CA 1.752 57.545 55.803 -0.016 0.000 0.840 527 Q CB -0.536 28.223 28.738 0.036 0.000 0.898 527 Q HN 0.606 nan 8.270 nan 0.000 0.424 528 D N 0.453 120.823 120.400 -0.051 0.000 2.097 528 D HA -0.109 4.532 4.640 0.000 0.000 0.195 528 D C 1.771 178.057 176.300 -0.024 0.000 0.989 528 D CA 1.502 55.483 54.000 -0.032 0.000 0.827 528 D CB -0.205 40.555 40.800 -0.067 0.000 0.966 528 D HN 0.240 nan 8.370 nan 0.000 0.456 529 A N 0.634 123.399 122.820 -0.092 0.000 1.908 529 A HA -0.187 4.133 4.320 0.000 0.000 0.218 529 A C 2.109 179.747 177.584 0.090 0.000 1.181 529 A CA 1.142 53.139 52.037 -0.067 0.000 0.627 529 A CB -0.985 17.909 19.000 -0.176 0.000 0.818 529 A HN 0.238 nan 8.150 nan 0.000 0.445 530 W N 1.101 122.392 121.300 -0.016 0.000 2.353 530 W HA -0.112 4.548 4.660 0.000 0.000 0.319 530 W C 1.748 178.263 176.519 -0.007 0.000 1.207 530 W CA 1.532 58.873 57.345 -0.006 0.000 1.291 530 W CB -1.241 28.223 29.460 0.006 0.000 1.159 530 W HN 0.688 nan 8.180 nan 0.000 0.478 531 D N -0.893 119.655 120.400 0.246 0.000 2.378 531 D HA 0.051 4.691 4.640 0.000 0.000 0.227 531 D C 1.421 177.770 176.300 0.082 0.000 1.012 531 D CA 0.962 55.040 54.000 0.130 0.000 0.905 531 D CB -0.698 40.163 40.800 0.102 0.000 0.895 531 D HN 0.005 nan 8.370 nan 0.000 0.532 532 A N -0.118 122.752 122.820 0.083 0.000 2.308 532 A HA 0.571 4.891 4.320 0.000 0.000 0.217 532 A C 1.892 179.506 177.584 0.051 0.000 1.216 532 A CA 0.166 52.230 52.037 0.046 0.000 0.864 532 A CB -0.438 18.575 19.000 0.022 0.000 0.902 532 A HN 0.500 nan 8.150 nan 0.000 0.499 533 G N -0.469 108.378 108.800 0.078 0.000 2.160 533 G HA2 -0.293 3.668 3.960 0.000 0.000 0.251 533 G HA3 -0.293 3.668 3.960 0.000 0.000 0.251 533 G C 0.097 175.041 174.900 0.073 0.000 1.008 533 G CA 0.464 45.603 45.100 0.066 0.000 0.724 533 G HN 0.833 nan 8.290 nan 0.000 0.514 534 Q N 0.290 120.150 119.800 0.100 0.000 2.267 534 Q HA 0.401 4.741 4.340 0.000 0.000 0.255 534 Q C 0.195 176.277 176.000 0.137 0.000 0.923 534 Q CA -0.447 55.405 55.803 0.082 0.000 0.925 534 Q CB 0.431 29.193 28.738 0.041 0.000 1.195 534 Q HN 0.520 nan 8.270 nan 0.000 0.417 535 E N 3.309 123.565 120.200 0.094 0.000 2.383 535 E HA 0.097 4.447 4.350 0.000 0.000 0.257 535 E C -1.101 175.581 176.600 0.136 0.000 1.079 535 E CA 0.113 56.578 56.400 0.108 0.000 0.934 535 E CB 0.440 30.177 29.700 0.062 0.000 0.978 535 E HN 0.281 nan 8.360 nan 0.000 0.462 536 L N 3.777 125.148 121.223 0.247 0.000 2.611 536 L HA 0.200 4.541 4.340 0.000 0.000 0.263 536 L C -1.082 176.020 176.870 0.387 0.000 0.969 536 L CA -0.191 54.796 54.840 0.244 0.000 0.894 536 L CB 1.782 43.917 42.059 0.127 0.000 1.229 536 L HN 0.424 nan 8.230 nan 0.000 0.416 537 E N 3.883 124.221 120.200 0.229 0.000 2.175 537 E HA 0.572 4.922 4.350 0.000 0.000 0.278 537 E C -1.498 175.217 176.600 0.192 0.000 0.969 537 E CA -0.720 55.813 56.400 0.222 0.000 0.796 537 E CB 1.614 31.391 29.700 0.128 0.000 1.104 537 E HN 0.479 nan 8.360 nan 0.000 0.395 538 V N 4.910 124.971 119.914 0.246 0.000 2.328 538 V HA 0.175 4.295 4.120 0.000 0.000 0.278 538 V C -0.196 175.981 176.094 0.139 0.000 1.021 538 V CA -0.576 61.834 62.300 0.183 0.000 0.838 538 V CB 0.979 32.951 31.823 0.248 0.000 0.999 538 V HN 0.687 nan 8.190 nan 0.000 0.447 539 Q N 3.727 123.569 119.800 0.069 0.000 2.274 539 Q HA 0.713 5.054 4.340 0.000 0.000 0.260 539 Q C -0.094 175.906 176.000 0.001 0.000 0.974 539 Q CA -0.120 55.708 55.803 0.041 0.000 0.876 539 Q CB 2.006 30.746 28.738 0.003 0.000 1.297 539 Q HN 0.804 nan 8.270 nan 0.000 0.446 540 G N 1.576 110.401 108.800 0.041 0.000 2.415 540 G HA2 0.679 4.639 3.960 0.000 0.000 0.327 540 G HA3 0.679 4.639 3.960 0.000 0.000 0.327 540 G C -1.509 173.415 174.900 0.040 0.000 1.182 540 G CA -0.422 44.692 45.100 0.023 0.000 0.924 540 G HN 0.546 nan 8.290 nan 0.000 0.470 541 V N 1.218 121.122 119.914 -0.016 0.000 3.087 541 V HA 0.783 4.903 4.120 0.000 0.000 0.306 541 V C -1.067 175.046 176.094 0.032 0.000 1.187 541 V CA -0.580 61.750 62.300 0.051 0.000 0.999 541 V CB 2.404 34.201 31.823 -0.044 0.000 1.049 541 V HN 0.805 nan 8.190 nan 0.000 0.431 542 V N 4.671 124.633 119.914 0.081 0.000 3.120 542 V HA 0.857 4.977 4.120 0.000 0.000 0.303 542 V C -1.990 174.119 176.094 0.024 0.000 1.238 542 V CA -0.361 61.900 62.300 -0.064 0.000 1.008 542 V CB 2.287 33.938 31.823 -0.287 0.000 1.064 542 V HN 1.169 nan 8.190 nan 0.000 0.434 543 Y N 1.856 121.994 120.300 -0.270 0.000 2.656 543 Y HA 0.885 5.435 4.550 0.000 0.000 0.334 543 Y C -0.374 175.519 175.900 -0.012 0.000 1.179 543 Y CA -0.519 57.544 58.100 -0.063 0.000 1.050 543 Y CB 1.472 40.004 38.460 0.120 0.000 1.308 543 Y HN 0.890 nan 8.280 nan 0.000 0.456 544 G N 0.771 109.781 108.800 0.350 0.000 2.415 544 G HA2 0.423 4.384 3.960 0.000 0.000 0.327 544 G HA3 0.423 4.384 3.960 0.000 0.000 0.327 544 G C -0.160 174.983 174.900 0.404 0.000 1.182 544 G CA -0.491 44.831 45.100 0.370 0.000 0.924 544 G HN 1.005 nan 8.290 nan 0.000 0.470 545 V N 3.107 123.223 119.914 0.337 0.000 2.720 545 V HA -0.041 4.079 4.120 0.000 0.000 0.256 545 V C 2.464 178.785 176.094 0.380 0.000 1.082 545 V CA 2.730 65.300 62.300 0.451 0.000 1.101 545 V CB -0.485 31.546 31.823 0.346 0.000 0.693 545 V HN 0.812 nan 8.190 nan 0.000 0.479 546 G N 0.284 109.241 108.800 0.262 0.000 2.470 546 G HA2 -0.226 3.735 3.960 0.000 0.000 0.220 546 G HA3 -0.226 3.735 3.960 0.000 0.000 0.220 546 G C 0.959 175.943 174.900 0.140 0.000 1.121 546 G CA 1.172 46.395 45.100 0.205 0.000 0.766 546 G HN 0.779 nan 8.290 nan 0.000 0.553 547 D N -3.269 117.140 120.400 0.015 0.000 2.486 547 D HA 0.166 4.807 4.640 0.000 0.000 0.243 547 D C 1.596 177.435 176.300 -0.767 0.000 1.146 547 D CA 0.625 54.403 54.000 -0.369 0.000 0.821 547 D CB -0.827 39.886 40.800 -0.145 0.000 1.201 547 D HN 0.363 nan 8.370 nan 0.000 0.525 548 G N 1.169 109.874 108.800 -0.159 0.000 2.233 548 G HA2 -0.375 3.585 3.960 0.000 0.000 0.270 548 G HA3 -0.375 3.585 3.960 0.000 0.000 0.270 548 G C 0.156 175.142 174.900 0.143 0.000 1.011 548 G CA 0.662 45.842 45.100 0.133 0.000 0.762 548 G HN 0.590 nan 8.290 nan 0.000 0.511 549 K N 0.325 120.792 120.400 0.111 0.000 2.248 549 K HA 0.527 4.847 4.320 0.000 0.000 0.281 549 K C 0.672 177.434 176.600 0.269 0.000 1.054 549 K CA -0.821 55.563 56.287 0.162 0.000 0.903 549 K CB 0.243 32.803 32.500 0.100 0.000 1.077 549 K HN 0.207 nan 8.250 nan 0.000 0.474 550 L N 5.310 126.708 121.223 0.291 0.000 2.367 550 L HA 0.235 4.575 4.340 0.000 0.000 0.275 550 L C 0.395 177.522 176.870 0.429 0.000 1.129 550 L CA -0.045 55.014 54.840 0.366 0.000 0.839 550 L CB 0.627 42.875 42.059 0.314 0.000 1.133 550 L HN 0.527 nan 8.230 nan 0.000 0.453 551 R N 1.686 122.393 120.500 0.346 0.000 2.445 551 R HA 0.237 4.578 4.340 0.000 0.000 0.308 551 R C -0.887 175.543 176.300 0.217 0.000 0.961 551 R CA -0.994 55.235 56.100 0.216 0.000 0.862 551 R CB 1.647 32.064 30.300 0.194 0.000 1.144 551 R HN 0.430 nan 8.270 nan 0.000 0.447 552 D N 2.930 123.347 120.400 0.030 0.000 2.417 552 D HA 0.010 4.650 4.640 0.000 0.000 0.250 552 D C 0.493 176.830 176.300 0.062 0.000 1.166 552 D CA 0.236 54.270 54.000 0.058 0.000 0.881 552 D CB 0.943 41.610 40.800 -0.222 0.000 1.164 552 D HN 0.362 nan 8.370 nan 0.000 0.467 553 M N 1.941 121.599 119.600 0.096 0.000 2.333 553 M HA 0.286 4.766 4.480 0.000 0.000 0.257 553 M C 0.780 177.103 176.300 0.039 0.000 1.078 553 M CA 0.021 55.358 55.300 0.062 0.000 1.005 553 M CB -0.082 32.557 32.600 0.064 0.000 1.444 553 M HN 0.544 nan 8.290 nan 0.000 0.496 554 G N 0.269 109.092 108.800 0.038 0.000 2.334 554 G HA2 0.173 4.133 3.960 0.000 0.000 0.566 554 G HA3 0.173 4.133 3.960 0.000 0.000 0.566 554 G C -1.989 172.921 174.900 0.017 0.000 1.413 554 G CA -0.639 44.451 45.100 -0.017 0.000 0.993 554 G HN 0.071 nan 8.290 nan 0.000 0.642 555 V N -0.375 119.524 119.914 -0.025 0.000 2.932 555 V HA 0.809 4.929 4.120 0.000 0.000 0.307 555 V C -0.988 175.087 176.094 -0.032 0.000 1.147 555 V CA -0.558 61.755 62.300 0.021 0.000 0.951 555 V CB 2.172 34.030 31.823 0.058 0.000 1.031 555 V HN 1.409 nan 8.190 nan 0.000 0.426 556 V N 5.917 125.857 119.914 0.043 0.000 2.525 556 V HA 0.629 4.750 4.120 0.000 0.000 0.299 556 V C 0.703 176.846 176.094 0.082 0.000 1.034 556 V CA 0.371 62.686 62.300 0.025 0.000 0.863 556 V CB 1.219 33.134 31.823 0.154 0.000 0.999 556 V HN 1.094 nan 8.190 nan 0.000 0.423 557 A N 4.227 126.996 122.820 -0.085 0.000 2.044 557 A HA 0.381 4.701 4.320 0.000 0.000 0.213 557 A C 0.758 178.017 177.584 -0.541 0.000 1.169 557 A CA 0.772 52.735 52.037 -0.124 0.000 0.724 557 A CB 0.256 19.186 19.000 -0.116 0.000 0.840 557 A HN 0.676 nan 8.150 nan 0.000 0.463 558 K N -1.820 118.047 120.400 -0.889 0.000 2.663 558 K HA 0.489 4.809 4.320 0.000 0.000 0.267 558 K C -2.244 173.806 176.600 -0.918 0.000 1.004 558 K CA 0.179 55.502 56.287 -1.607 0.000 0.947 558 K CB 1.206 33.117 32.500 -0.982 0.000 1.372 558 K HN 0.567 nan 8.250 nan 0.000 0.411 559 A N 3.432 125.753 122.820 -0.832 0.000 2.500 559 A HA 0.280 4.600 4.320 0.000 0.000 0.288 559 A C -1.364 176.248 177.584 0.046 0.000 1.045 559 A CA -0.793 51.113 52.037 -0.220 0.000 0.830 559 A CB 1.050 20.011 19.000 -0.065 0.000 1.337 559 A HN 0.688 nan 8.150 nan 0.000 0.400 560 N N 1.383 120.105 118.700 0.038 0.000 2.492 560 N HA 0.010 4.750 4.740 0.000 0.000 0.262 560 N C -0.580 175.008 175.510 0.130 0.000 1.202 560 N CA 0.480 53.595 53.050 0.108 0.000 0.926 560 N CB 0.998 39.519 38.487 0.057 0.000 1.078 560 N HN 0.626 nan 8.380 nan 0.000 0.454 561 D N 1.615 122.107 120.400 0.154 0.000 2.463 561 D HA 0.147 4.787 4.640 0.000 0.000 0.224 561 D C -1.030 175.322 176.300 0.087 0.000 1.174 561 D CA -0.265 53.816 54.000 0.136 0.000 0.829 561 D CB 0.075 40.971 40.800 0.160 0.000 0.993 561 D HN 0.412 nan 8.370 nan 0.000 0.497 562 D N 0.413 120.855 120.400 0.070 0.000 2.264 562 D HA 0.151 4.791 4.640 0.000 0.000 0.250 562 D C 1.591 177.913 176.300 0.037 0.000 1.113 562 D CA -0.272 53.756 54.000 0.046 0.000 0.871 562 D CB 1.605 42.429 40.800 0.040 0.000 1.167 562 D HN 0.276 nan 8.370 nan 0.000 0.447 563 I N -0.673 119.914 120.570 0.028 0.000 2.947 563 I HA 0.453 4.623 4.170 0.000 0.000 0.263 563 I C 0.949 177.075 176.117 0.016 0.000 1.130 563 I CA 0.061 61.374 61.300 0.022 0.000 1.448 563 I CB 0.345 38.355 38.000 0.017 0.000 1.222 563 I HN 0.428 nan 8.210 nan 0.000 0.453 564 G N 0.000 108.808 108.800 0.013 0.000 5.446 564 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 564 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 564 G CA 0.000 45.106 45.100 0.010 0.000 0.502 564 G HN 0.000 nan 8.290 nan 0.000 0.925