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_A 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 62.309 62.300 0.014 0.000 1.235 84 V CB 0.000 31.830 31.823 0.011 0.000 1.184 85 M N 2.626 122.241 119.600 0.025 0.000 2.409 85 M HA 0.611 5.091 4.480 0.001 0.000 0.329 85 M C 0.793 177.117 176.300 0.041 0.000 1.180 85 M CA -0.160 55.162 55.300 0.038 0.000 1.053 85 M CB 2.022 34.649 32.600 0.044 0.000 1.586 85 M HN 0.656 nan 8.290 nan 0.000 0.461 86 S N -0.292 115.442 115.700 0.057 0.000 2.645 86 S HA 0.185 4.655 4.470 0.001 0.000 0.266 86 S C 0.338 174.975 174.600 0.061 0.000 1.258 86 S CA -0.714 57.522 58.200 0.059 0.000 0.990 86 S CB 0.752 63.999 63.200 0.078 0.000 0.967 86 S HN 0.659 nan 8.310 nan 0.000 0.556 87 D N 0.261 120.691 120.400 0.050 0.000 2.144 87 D HA -0.072 4.568 4.640 0.001 0.000 0.199 87 D C 1.774 178.108 176.300 0.057 0.000 0.984 87 D CA 0.794 54.814 54.000 0.033 0.000 0.834 87 D CB -0.329 40.476 40.800 0.008 0.000 0.955 87 D HN 0.444 nan 8.370 nan 0.000 0.465 88 L N 0.667 121.957 121.223 0.111 0.000 2.017 88 L HA -0.210 4.130 4.340 0.001 0.000 0.208 88 L C 2.240 179.209 176.870 0.165 0.000 1.073 88 L CA 1.521 56.468 54.840 0.178 0.000 0.745 88 L CB -0.178 42.031 42.059 0.251 0.000 0.894 88 L HN 0.006 nan 8.230 nan 0.000 0.432 89 E N -0.234 120.066 120.200 0.166 0.000 2.058 89 E HA -0.276 4.075 4.350 0.001 0.000 0.194 89 E C 2.176 178.844 176.600 0.115 0.000 0.997 89 E CA 1.642 58.145 56.400 0.172 0.000 0.801 89 E CB 0.080 29.871 29.700 0.152 0.000 0.746 89 E HN 0.413 nan 8.360 nan 0.000 0.450 90 K N 0.460 120.902 120.400 0.070 0.000 2.026 90 K HA -0.191 4.129 4.320 0.001 0.000 0.208 90 K C 2.153 178.754 176.600 0.001 0.000 1.048 90 K CA 1.288 57.594 56.287 0.032 0.000 0.929 90 K CB -0.120 32.388 32.500 0.013 0.000 0.713 90 K HN -0.131 nan 8.250 nan 0.000 0.439 91 K N 1.054 121.443 120.400 -0.018 0.000 2.044 91 K HA -0.154 4.166 4.320 0.001 0.000 0.210 91 K C 1.711 178.176 176.600 -0.224 0.000 1.049 91 K CA 1.638 57.852 56.287 -0.121 0.000 0.927 91 K CB -0.443 31.977 32.500 -0.132 0.000 0.713 91 K HN 0.052 nan 8.250 nan 0.000 0.443 92 F N 0.091 119.948 119.950 -0.155 0.000 2.259 92 F HA 0.045 4.573 4.527 0.000 0.000 0.298 92 F C 1.957 177.720 175.800 -0.061 0.000 1.088 92 F CA 0.829 58.733 58.000 -0.161 0.000 1.358 92 F CB -0.102 38.674 39.000 -0.373 0.000 1.040 92 F HN -0.031 nan 8.300 nan 0.000 0.505 93 I N -0.173 120.446 120.570 0.081 0.000 2.226 93 I HA -0.287 3.883 4.170 0.001 0.000 0.245 93 I C 2.429 178.549 176.117 0.005 0.000 1.100 93 I CA 1.466 62.800 61.300 0.057 0.000 1.374 93 I CB -0.335 37.694 38.000 0.048 0.000 1.057 93 I HN 0.155 nan 8.210 nan 0.000 0.413 94 E N 0.962 121.139 120.200 -0.039 0.000 2.077 94 E HA -0.197 4.153 4.350 0.001 0.000 0.193 94 E C 2.347 178.895 176.600 -0.086 0.000 0.989 94 E CA 1.022 57.384 56.400 -0.064 0.000 0.800 94 E CB 0.044 29.691 29.700 -0.089 0.000 0.746 94 E HN 0.431 nan 8.360 nan 0.000 0.452 95 L N 0.559 121.693 121.223 -0.150 0.000 2.093 95 L HA -0.149 4.191 4.340 0.001 0.000 0.208 95 L C 2.624 179.463 176.870 -0.052 0.000 1.085 95 L CA 1.162 55.906 54.840 -0.160 0.000 0.755 95 L CB -0.382 41.466 42.059 -0.352 0.000 0.904 95 L HN 0.261 nan 8.230 nan 0.000 0.435 96 E N 0.510 120.711 120.200 0.001 0.000 2.077 96 E HA -0.234 4.116 4.350 0.001 0.000 0.193 96 E C 2.227 178.839 176.600 0.020 0.000 0.989 96 E CA 1.155 57.580 56.400 0.042 0.000 0.800 96 E CB 0.051 29.797 29.700 0.077 0.000 0.746 96 E HN 0.446 nan 8.360 nan 0.000 0.452 97 A N 1.670 124.493 122.820 0.005 0.000 1.902 97 A HA -0.234 4.086 4.320 0.001 0.000 0.217 97 A C 2.124 179.703 177.584 -0.007 0.000 1.181 97 A CA 1.839 53.876 52.037 0.000 0.000 0.623 97 A CB -0.532 18.464 19.000 -0.007 0.000 0.818 97 A HN 0.234 nan 8.150 nan 0.000 0.443 98 K N -0.664 119.724 120.400 -0.021 0.000 2.097 98 K HA -0.155 4.166 4.320 0.001 0.000 0.206 98 K C 1.916 178.509 176.600 -0.012 0.000 1.049 98 K CA 1.618 57.890 56.287 -0.025 0.000 0.933 98 K CB -0.283 32.191 32.500 -0.044 0.000 0.717 98 K HN 0.366 nan 8.250 nan 0.000 0.442 99 L N 0.836 122.058 121.223 -0.001 0.000 2.005 99 L HA -0.082 4.258 4.340 0.001 0.000 0.207 99 L C 1.932 178.813 176.870 0.020 0.000 1.072 99 L CA 1.450 56.299 54.840 0.016 0.000 0.744 99 L CB -0.596 41.482 42.059 0.032 0.000 0.895 99 L HN -0.028 nan 8.230 nan 0.000 0.433 100 V N 0.605 120.531 119.914 0.019 0.000 2.867 100 V HA -0.221 3.899 4.120 0.001 0.000 0.260 100 V C 2.652 178.752 176.094 0.010 0.000 1.099 100 V CA 1.347 63.658 62.300 0.018 0.000 1.122 100 V CB -1.203 30.632 31.823 0.021 0.000 0.708 100 V HN 0.634 nan 8.190 nan 0.000 0.490 101 A N -1.248 121.575 122.820 0.004 0.000 2.169 101 A HA 0.039 4.360 4.320 0.001 0.000 0.212 101 A C 1.082 178.665 177.584 -0.001 0.000 1.153 101 A CA 0.342 52.379 52.037 -0.001 0.000 0.756 101 A CB -0.097 18.900 19.000 -0.006 0.000 0.813 101 A HN 0.616 nan 8.150 nan 0.000 0.471 102 Q N 0.142 119.944 119.800 0.003 0.000 2.309 102 Q HA 0.433 4.773 4.340 0.001 0.000 0.264 102 Q C -2.747 173.257 176.000 0.006 0.000 1.008 102 Q CA -2.376 53.429 55.803 0.003 0.000 0.853 102 Q CB 1.429 30.171 28.738 0.007 0.000 1.314 102 Q HN 0.115 nan 8.270 nan 0.000 0.448 103 P HA 0.076 nan 4.420 nan 0.000 0.274 103 P C -1.123 176.171 177.300 -0.009 0.000 1.231 103 P CA -0.366 62.729 63.100 -0.008 0.000 0.790 103 P CB 0.505 32.194 31.700 -0.018 0.000 0.951 104 A N 2.059 124.869 122.820 -0.017 0.000 2.573 104 A HA 0.350 4.671 4.320 0.001 0.000 0.250 104 A C 1.552 179.065 177.584 -0.118 0.000 1.049 104 A CA 0.934 52.953 52.037 -0.030 0.000 0.767 104 A CB -1.767 17.210 19.000 -0.039 0.000 0.965 104 A HN 0.919 nan 8.150 nan 0.000 0.514 105 G N 1.465 110.176 108.800 -0.149 0.000 2.179 105 G HA2 -0.229 3.731 3.960 0.001 0.000 0.260 105 G HA3 -0.229 3.731 3.960 0.001 0.000 0.260 105 G C 0.529 175.353 174.900 -0.126 0.000 0.977 105 G CA 0.614 45.452 45.100 -0.436 0.000 0.641 105 G HN 0.778 nan 8.290 nan 0.000 0.533 106 Q N -0.296 119.491 119.800 -0.021 0.000 2.194 106 Q HA 0.571 4.911 4.340 0.001 0.000 0.214 106 Q C 1.239 177.262 176.000 0.039 0.000 0.838 106 Q CA 0.566 56.373 55.803 0.006 0.000 0.972 106 Q CB 0.777 29.506 28.738 -0.016 0.000 1.131 106 Q HN 1.053 nan 8.270 nan 0.000 0.498 107 A N 1.458 124.324 122.820 0.078 0.000 2.561 107 A HA 0.128 4.449 4.320 0.001 0.000 0.234 107 A C 0.547 178.150 177.584 0.033 0.000 1.055 107 A CA 0.423 52.494 52.037 0.056 0.000 0.756 107 A CB 0.169 19.222 19.000 0.088 0.000 0.986 107 A HN 0.186 nan 8.150 nan 0.000 0.505 108 M N 1.926 121.513 119.600 -0.022 0.000 2.359 108 M HA 0.286 4.767 4.480 0.001 0.000 0.322 108 M C -2.209 173.997 176.300 -0.158 0.000 1.166 108 M CA -1.709 53.555 55.300 -0.060 0.000 1.067 108 M CB 0.360 32.916 32.600 -0.074 0.000 1.523 108 M HN 0.335 nan 8.290 nan 0.000 0.467 109 P HA 0.104 nan 4.420 nan 0.000 0.270 109 P C -0.068 176.768 177.300 -0.774 0.000 1.223 109 P CA 0.077 62.881 63.100 -0.494 0.000 0.785 109 P CB 0.497 32.086 31.700 -0.186 0.000 0.923 110 G N 1.481 109.244 108.800 -1.728 0.000 2.773 110 G HA2 0.144 4.104 3.960 0.001 0.000 0.186 110 G HA3 0.144 4.104 3.960 0.001 0.000 0.186 110 G C 0.578 175.257 174.900 -0.368 0.000 1.411 110 G CA -0.242 44.302 45.100 -0.927 0.000 1.054 110 G HN 0.252 nan 8.290 nan 0.000 0.579 111 K N -0.064 120.318 120.400 -0.029 0.000 2.099 111 K HA 0.110 4.430 4.320 0.001 0.000 0.203 111 K C 1.800 178.544 176.600 0.240 0.000 1.047 111 K CA 0.171 56.519 56.287 0.102 0.000 0.963 111 K CB -0.828 31.710 32.500 0.062 0.000 0.759 111 K HN 0.344 nan 8.250 nan 0.000 0.451 112 S N 2.032 117.943 115.700 0.351 0.000 2.537 112 S HA -0.136 4.335 4.470 0.001 0.000 0.280 112 S C 1.153 175.879 174.600 0.210 0.000 1.335 112 S CA 0.429 58.772 58.200 0.238 0.000 1.025 112 S CB 0.196 63.482 63.200 0.143 0.000 0.836 112 S HN 0.517 nan 8.310 nan 0.000 0.523 113 N N 2.871 121.631 118.700 0.100 0.000 2.512 113 N HA -0.087 4.653 4.740 0.001 0.000 0.183 113 N C 1.641 177.174 175.510 0.039 0.000 1.073 113 N CA 1.246 54.344 53.050 0.079 0.000 0.911 113 N CB -0.613 37.906 38.487 0.054 0.000 0.964 113 N HN 0.796 nan 8.380 nan 0.000 0.447 114 I N -2.940 117.596 120.570 -0.057 0.000 2.394 114 I HA -0.095 4.076 4.170 0.001 0.000 0.251 114 I C 1.234 177.246 176.117 -0.174 0.000 1.136 114 I CA 0.986 62.188 61.300 -0.162 0.000 1.425 114 I CB -0.480 37.351 38.000 -0.282 0.000 1.079 114 I HN -0.035 nan 8.210 nan 0.000 0.425 115 F N 1.926 121.920 119.950 0.074 0.000 2.206 115 F HA 0.053 4.580 4.527 0.000 0.000 0.298 115 F C 2.845 178.691 175.800 0.076 0.000 1.090 115 F CA 1.133 59.179 58.000 0.077 0.000 1.323 115 F CB -0.493 38.544 39.000 0.062 0.000 1.028 115 F HN 0.080 nan 8.300 nan 0.000 0.492 116 A N 0.364 123.323 122.820 0.232 0.000 1.902 116 A HA -0.182 4.138 4.320 0.001 0.000 0.217 116 A C 2.051 179.710 177.584 0.125 0.000 1.181 116 A CA 1.864 53.993 52.037 0.154 0.000 0.623 116 A CB -0.693 18.378 19.000 0.117 0.000 0.818 116 A HN 0.312 nan 8.150 nan 0.000 0.443 117 N N 0.188 118.946 118.700 0.097 0.000 2.171 117 N HA -0.146 4.595 4.740 0.001 0.000 0.184 117 N C 1.712 177.299 175.510 0.129 0.000 1.021 117 N CA 1.253 54.353 53.050 0.083 0.000 0.854 117 N CB -0.661 37.844 38.487 0.031 0.000 0.994 117 N HN 0.726 nan 8.380 nan 0.000 0.426 118 N N 1.134 119.911 118.700 0.127 0.000 2.166 118 N HA -0.205 4.535 4.740 0.001 0.000 0.186 118 N C 1.485 177.192 175.510 0.328 0.000 1.019 118 N CA 1.073 54.252 53.050 0.215 0.000 0.856 118 N CB 0.127 38.718 38.487 0.175 0.000 0.993 118 N HN 0.110 nan 8.380 nan 0.000 0.426 119 E N 0.987 121.323 120.200 0.227 0.000 2.047 119 E HA -0.026 4.325 4.350 0.001 0.000 0.191 119 E C 1.918 178.605 176.600 0.145 0.000 0.987 119 E CA 1.492 57.996 56.400 0.172 0.000 0.799 119 E CB -0.554 29.226 29.700 0.134 0.000 0.752 119 E HN 0.417 nan 8.360 nan 0.000 0.449 120 A N 0.250 123.155 122.820 0.142 0.000 1.917 120 A HA -0.210 4.110 4.320 0.001 0.000 0.219 120 A C 2.171 179.833 177.584 0.131 0.000 1.182 120 A CA 1.868 53.971 52.037 0.110 0.000 0.633 120 A CB -1.432 17.629 19.000 0.102 0.000 0.819 120 A HN 0.658 nan 8.150 nan 0.000 0.448 121 W N 0.778 122.077 121.300 -0.000 0.000 2.354 121 W HA -0.193 4.467 4.660 0.001 0.000 0.315 121 W C 2.326 178.839 176.519 -0.010 0.000 1.206 121 W CA 2.008 59.338 57.345 -0.025 0.000 1.290 121 W CB -0.359 29.089 29.460 -0.019 0.000 1.152 121 W HN 0.274 nan 8.180 nan 0.000 0.489 122 R N -0.203 120.232 120.500 -0.108 0.000 2.091 122 R HA -0.226 4.115 4.340 0.001 0.000 0.238 122 R C 2.307 178.502 176.300 -0.175 0.000 1.136 122 R CA 1.806 57.764 56.100 -0.236 0.000 0.959 122 R CB -0.782 29.486 30.300 -0.053 0.000 0.856 122 R HN 0.231 nan 8.270 nan 0.000 0.437 123 Q N 0.645 120.391 119.800 -0.090 0.000 2.020 123 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 123 Q C 2.032 177.955 176.000 -0.128 0.000 0.982 123 Q CA 1.484 57.245 55.803 -0.070 0.000 0.838 123 Q CB -0.350 28.375 28.738 -0.022 0.000 0.899 123 Q HN 0.218 nan 8.270 nan 0.000 0.423 124 E N 0.022 120.131 120.200 -0.152 0.000 2.118 124 E HA -0.137 4.213 4.350 0.001 0.000 0.195 124 E C 1.780 178.197 176.600 -0.306 0.000 0.992 124 E CA 1.117 57.414 56.400 -0.172 0.000 0.804 124 E CB -0.063 29.568 29.700 -0.115 0.000 0.741 124 E HN 0.159 nan 8.360 nan 0.000 0.458 125 M N -0.306 118.956 119.600 -0.563 0.000 2.099 125 M HA -0.084 4.397 4.480 0.001 0.000 0.262 125 M C 2.415 178.407 176.300 -0.515 0.000 1.067 125 M CA 1.228 55.988 55.300 -0.900 0.000 1.124 125 M CB -1.032 30.422 32.600 -1.909 0.000 1.353 125 M HN 0.189 nan 8.290 nan 0.000 0.410 126 L N -0.207 120.844 121.223 -0.286 0.000 2.083 126 L HA -0.217 4.124 4.340 0.001 0.000 0.209 126 L C 2.593 179.422 176.870 -0.070 0.000 1.083 126 L CA 1.207 56.000 54.840 -0.078 0.000 0.752 126 L CB -0.625 41.449 42.059 0.024 0.000 0.899 126 L HN 0.342 nan 8.230 nan 0.000 0.433 127 K N -0.044 120.299 120.400 -0.095 0.000 2.097 127 K HA -0.203 4.118 4.320 0.001 0.000 0.205 127 K C 2.065 178.626 176.600 -0.064 0.000 1.050 127 K CA 1.361 57.609 56.287 -0.065 0.000 0.938 127 K CB 0.072 32.534 32.500 -0.064 0.000 0.718 127 K HN 0.380 nan 8.250 nan 0.000 0.442 128 Q N -0.466 119.275 119.800 -0.099 0.000 2.137 128 Q HA -0.064 4.277 4.340 0.001 0.000 0.198 128 Q C -0.234 175.741 176.000 -0.041 0.000 0.960 128 Q CA 0.841 56.600 55.803 -0.074 0.000 0.847 128 Q CB 0.401 29.078 28.738 -0.102 0.000 0.915 128 Q HN 0.154 nan 8.270 nan 0.000 0.448 129 D N -1.143 119.233 120.400 -0.041 0.000 2.365 129 D HA 0.086 4.726 4.640 0.001 0.000 0.235 129 D C -2.266 174.054 176.300 0.034 0.000 1.368 129 D CA -1.801 52.208 54.000 0.015 0.000 1.001 129 D CB 1.481 42.320 40.800 0.065 0.000 1.364 129 D HN -0.194 nan 8.370 nan 0.000 0.577 130 P HA -0.081 nan 4.420 nan 0.000 0.225 130 P C 0.460 177.808 177.300 0.080 0.000 1.148 130 P CA 0.698 63.830 63.100 0.053 0.000 0.779 130 P CB 0.598 32.320 31.700 0.037 0.000 0.780 131 E N -1.608 118.629 120.200 0.062 0.000 2.463 131 E HA 0.060 4.410 4.350 0.001 0.000 0.193 131 E C 1.343 177.954 176.600 0.019 0.000 1.041 131 E CA -0.483 55.945 56.400 0.047 0.000 0.879 131 E CB -0.693 29.017 29.700 0.017 0.000 0.997 131 E HN 0.237 nan 8.360 nan 0.000 0.478 132 F N 0.874 120.736 119.950 -0.147 0.000 2.043 132 F HA -0.305 4.222 4.527 0.001 0.000 0.297 132 F C 1.674 177.244 175.800 -0.382 0.000 1.118 132 F CA 1.848 59.648 58.000 -0.335 0.000 1.202 132 F CB -0.268 38.382 39.000 -0.584 0.000 0.965 132 F HN -0.021 nan 8.300 nan 0.000 0.482 133 F N 0.128 120.141 119.950 0.106 0.000 2.293 133 F HA -0.125 4.402 4.527 0.000 0.000 0.297 133 F C 2.228 178.026 175.800 -0.003 0.000 1.089 133 F CA 0.857 58.884 58.000 0.045 0.000 1.377 133 F CB -0.766 38.321 39.000 0.144 0.000 1.051 133 F HN -0.022 nan 8.300 nan 0.000 0.511 134 N N 0.375 119.154 118.700 0.133 0.000 2.166 134 N HA -0.170 4.571 4.740 0.001 0.000 0.186 134 N C 1.998 177.516 175.510 0.013 0.000 1.019 134 N CA 0.981 54.079 53.050 0.079 0.000 0.856 134 N CB -0.413 38.111 38.487 0.063 0.000 0.993 134 N HN 0.280 nan 8.380 nan 0.000 0.426 135 R N 0.503 120.963 120.500 -0.066 0.000 2.062 135 R HA -0.020 4.321 4.340 0.001 0.000 0.229 135 R C 2.202 178.433 176.300 -0.115 0.000 1.128 135 R CA 0.670 56.708 56.100 -0.103 0.000 0.960 135 R CB -0.385 29.816 30.300 -0.164 0.000 0.855 135 R HN 0.068 nan 8.270 nan 0.000 0.432 136 L N 0.909 122.011 121.223 -0.201 0.000 1.990 136 L HA -0.151 4.189 4.340 0.001 0.000 0.213 136 L C 2.285 179.172 176.870 0.027 0.000 1.072 136 L CA 2.306 57.065 54.840 -0.135 0.000 0.755 136 L CB -0.608 41.352 42.059 -0.164 0.000 0.889 136 L HN 0.278 nan 8.230 nan 0.000 0.432 137 A N -1.294 121.580 122.820 0.090 0.000 2.125 137 A HA -0.139 4.181 4.320 0.001 0.000 0.219 137 A C 1.208 178.841 177.584 0.081 0.000 1.156 137 A CA 1.704 53.816 52.037 0.125 0.000 0.671 137 A CB -0.776 18.316 19.000 0.152 0.000 0.794 137 A HN 0.687 nan 8.150 nan 0.000 0.459 138 N N -0.623 118.104 118.700 0.045 0.000 2.541 138 N HA 0.369 5.109 4.740 0.001 0.000 0.297 138 N C 0.433 175.955 175.510 0.019 0.000 1.503 138 N CA 0.273 53.343 53.050 0.035 0.000 0.919 138 N CB 1.017 39.520 38.487 0.028 0.000 1.305 138 N HN 0.350 nan 8.380 nan 0.000 0.501 139 G N -0.126 108.687 108.800 0.021 0.000 2.621 139 G HA2 0.201 4.162 3.960 0.001 0.000 0.271 139 G HA3 0.201 4.162 3.960 0.001 0.000 0.271 139 G C -0.150 174.766 174.900 0.026 0.000 1.236 139 G CA -0.330 44.777 45.100 0.012 0.000 0.958 139 G HN 0.183 nan 8.290 nan 0.000 0.512 140 Q N -0.611 119.204 119.800 0.025 0.000 2.221 140 Q HA 0.397 4.737 4.340 0.001 0.000 0.242 140 Q C 0.318 176.343 176.000 0.042 0.000 0.940 140 Q CA -0.531 55.290 55.803 0.030 0.000 0.896 140 Q CB 1.406 30.161 28.738 0.027 0.000 1.226 140 Q HN 0.629 nan 8.270 nan 0.000 0.463 141 S N 1.738 117.459 115.700 0.035 0.000 2.572 141 S HA 0.226 4.697 4.470 0.001 0.000 0.279 141 S C -2.119 172.509 174.600 0.047 0.000 1.341 141 S CA -1.214 57.008 58.200 0.037 0.000 1.043 141 S CB -0.060 63.145 63.200 0.008 0.000 0.887 141 S HN 0.406 nan 8.310 nan 0.000 0.516 142 P HA 0.165 nan 4.420 nan 0.000 0.268 142 P C -0.283 177.056 177.300 0.065 0.000 1.204 142 P CA -0.111 63.055 63.100 0.110 0.000 0.768 142 P CB 0.654 32.460 31.700 0.176 0.000 0.842 143 E N 1.302 121.561 120.200 0.099 0.000 2.476 143 E HA 0.043 4.394 4.350 0.001 0.000 0.199 143 E C -0.307 176.208 176.600 -0.141 0.000 1.021 143 E CA 0.222 56.596 56.400 -0.043 0.000 0.907 143 E CB 0.141 29.803 29.700 -0.064 0.000 0.974 143 E HN 0.528 nan 8.360 nan 0.000 0.489 144 Y N 0.556 120.941 120.300 0.143 0.000 2.393 144 Y HA 0.378 4.929 4.550 0.000 0.000 0.341 144 Y C -0.262 175.779 175.900 0.235 0.000 0.988 144 Y CA -0.769 57.449 58.100 0.196 0.000 1.078 144 Y CB 1.665 40.244 38.460 0.199 0.000 1.203 144 Y HN -0.084 nan 8.280 nan 0.000 0.453 145 L N 4.355 125.820 121.223 0.403 0.000 2.296 145 L HA 0.422 4.763 4.340 0.001 0.000 0.286 145 L C -1.518 175.625 176.870 0.455 0.000 1.023 145 L CA -0.570 54.520 54.840 0.416 0.000 0.812 145 L CB 1.087 43.332 42.059 0.309 0.000 1.223 145 L HN 0.794 nan 8.230 nan 0.000 0.421 146 W N 7.976 129.393 121.300 0.195 0.000 2.554 146 W HA 0.462 5.123 4.660 0.001 0.000 0.324 146 W C -1.852 174.732 176.519 0.108 0.000 1.018 146 W CA -0.910 56.506 57.345 0.118 0.000 1.243 146 W CB 1.515 31.001 29.460 0.042 0.000 1.345 146 W HN 0.325 nan 8.180 nan 0.000 0.441 147 I N 6.926 127.550 120.570 0.091 0.000 2.306 147 I HA 0.458 4.628 4.170 0.001 0.000 0.288 147 I C 0.770 176.810 176.117 -0.128 0.000 1.036 147 I CA -0.032 61.326 61.300 0.098 0.000 1.221 147 I CB 0.914 38.987 38.000 0.123 0.000 1.385 147 I HN 0.442 nan 8.210 nan 0.000 0.472 148 G N 4.208 113.038 108.800 0.049 0.000 3.108 148 G HA2 0.504 4.464 3.960 0.001 0.000 0.268 148 G HA3 0.504 4.464 3.960 0.001 0.000 0.268 148 G C -1.494 173.403 174.900 -0.004 0.000 1.361 148 G CA -0.483 44.648 45.100 0.051 0.000 1.047 148 G HN 0.567 nan 8.290 nan 0.000 0.540 149 C N -0.309 118.983 119.300 -0.013 0.000 2.370 149 C HA 0.655 5.115 4.460 0.001 0.000 0.354 149 C C 2.031 176.905 174.990 -0.193 0.000 1.218 149 C CA 0.255 59.228 59.018 -0.075 0.000 2.154 149 C CB 0.786 28.535 27.740 0.015 0.000 2.391 149 C HN 0.980 nan 8.230 nan 0.000 0.540 150 A N 2.427 125.053 122.820 -0.323 0.000 2.019 150 A HA -0.054 4.267 4.320 0.001 0.000 0.219 150 A C 0.847 177.955 177.584 -0.793 0.000 1.164 150 A CA 1.799 53.443 52.037 -0.655 0.000 0.644 150 A CB -0.568 17.816 19.000 -1.027 0.000 0.805 150 A HN 0.987 nan 8.150 nan 0.000 0.449 151 D N -0.273 119.900 120.400 -0.378 0.000 3.110 151 D HA 0.367 5.007 4.640 0.001 0.000 0.254 151 D C -0.448 175.787 176.300 -0.109 0.000 1.283 151 D CA -0.048 53.969 54.000 0.028 0.000 0.944 151 D CB 0.272 41.350 40.800 0.463 0.000 1.066 151 D HN -0.010 nan 8.370 nan 0.000 0.496 152 S N 0.259 115.841 115.700 -0.197 0.000 2.437 152 S HA 0.262 4.733 4.470 0.001 0.000 0.305 152 S C 0.893 175.467 174.600 -0.043 0.000 1.109 152 S CA -0.941 57.133 58.200 -0.210 0.000 1.099 152 S CB 1.404 64.485 63.200 -0.198 0.000 1.004 152 S HN 0.294 nan 8.310 nan 0.000 0.475 153 R N 1.325 121.848 120.500 0.037 0.000 2.319 153 R HA 0.157 4.498 4.340 0.001 0.000 0.204 153 R C -0.501 175.855 176.300 0.093 0.000 0.954 153 R CA 0.292 56.438 56.100 0.076 0.000 1.066 153 R CB -0.047 30.318 30.300 0.108 0.000 0.991 153 R HN 0.309 nan 8.270 nan 0.000 0.486 154 V N 1.356 121.325 119.914 0.091 0.000 2.612 154 V HA 0.253 4.373 4.120 0.001 0.000 0.301 154 V C -2.477 173.521 176.094 -0.160 0.000 1.059 154 V CA -2.422 59.882 62.300 0.007 0.000 0.886 154 V CB 2.205 34.043 31.823 0.025 0.000 1.007 154 V HN -0.080 nan 8.190 nan 0.000 0.426 155 P HA 0.190 nan 4.420 nan 0.000 0.268 155 P C 0.862 177.813 177.300 -0.582 0.000 1.204 155 P CA 0.220 63.111 63.100 -0.348 0.000 0.768 155 P CB 1.065 32.596 31.700 -0.281 0.000 0.842 156 A N 4.492 126.819 122.820 -0.821 0.000 1.892 156 A HA -0.258 4.062 4.320 0.001 0.000 0.218 156 A C 1.940 178.913 177.584 -1.020 0.000 1.188 156 A CA 2.114 53.285 52.037 -1.444 0.000 0.631 156 A CB -1.324 16.507 19.000 -1.948 0.000 0.822 156 A HN 0.748 nan 8.150 nan 0.000 0.447 157 N N -0.299 118.002 118.700 -0.664 0.000 2.223 157 N HA -0.249 4.491 4.740 0.001 0.000 0.185 157 N C 1.756 176.949 175.510 -0.527 0.000 1.016 157 N CA 1.777 54.538 53.050 -0.482 0.000 0.863 157 N CB -0.499 37.805 38.487 -0.305 0.000 0.983 157 N HN 0.692 nan 8.380 nan 0.000 0.429 158 Q N 0.611 120.050 119.800 -0.602 0.000 2.016 158 Q HA 0.084 4.424 4.340 0.001 0.000 0.200 158 Q C 2.419 177.538 176.000 -1.469 0.000 0.978 158 Q CA 1.288 56.610 55.803 -0.802 0.000 0.833 158 Q CB -0.086 28.312 28.738 -0.567 0.000 0.895 158 Q HN 0.363 nan 8.270 nan 0.000 0.427 159 L N 0.081 120.537 121.223 -1.278 0.000 2.127 159 L HA -0.191 4.150 4.340 0.001 0.000 0.211 159 L C 1.846 178.297 176.870 -0.699 0.000 1.089 159 L CA 0.827 54.971 54.840 -1.160 0.000 0.757 159 L CB -0.210 41.412 42.059 -0.727 0.000 0.899 159 L HN 0.307 nan 8.230 nan 0.000 0.434 160 L N -0.864 119.989 121.223 -0.616 0.000 2.592 160 L HA 0.024 4.364 4.340 0.001 0.000 0.227 160 L C 0.339 177.020 176.870 -0.315 0.000 1.127 160 L CA -0.100 54.488 54.840 -0.421 0.000 0.884 160 L CB -0.257 41.516 42.059 -0.477 0.000 1.065 160 L HN 0.226 nan 8.230 nan 0.000 0.457 161 D N 0.979 121.159 120.400 -0.366 0.000 2.723 161 D HA -0.204 4.436 4.640 0.001 0.000 0.236 161 D C -0.560 175.661 176.300 -0.131 0.000 1.138 161 D CA 0.774 54.678 54.000 -0.160 0.000 0.676 161 D CB -0.908 39.909 40.800 0.029 0.000 1.069 161 D HN 0.166 nan 8.370 nan 0.000 0.430 162 L N -0.610 120.495 121.223 -0.197 0.000 2.341 162 L HA 0.631 4.971 4.340 0.001 0.000 0.267 162 L C -1.947 174.850 176.870 -0.121 0.000 1.009 162 L CA -2.210 52.550 54.840 -0.134 0.000 0.819 162 L CB 1.984 43.953 42.059 -0.150 0.000 1.323 162 L HN -0.178 nan 8.230 nan 0.000 0.425 163 P HA 0.070 nan 4.420 nan 0.000 0.269 163 P C -0.727 176.526 177.300 -0.078 0.000 1.209 163 P CA -0.223 62.834 63.100 -0.071 0.000 0.776 163 P CB 0.614 32.282 31.700 -0.054 0.000 0.876 164 A N 2.517 125.291 122.820 -0.076 0.000 2.520 164 A HA 0.395 4.715 4.320 0.001 0.000 0.235 164 A C 1.627 179.191 177.584 -0.033 0.000 1.065 164 A CA 0.834 52.830 52.037 -0.068 0.000 0.764 164 A CB -1.384 17.595 19.000 -0.036 0.000 1.002 164 A HN 0.871 nan 8.150 nan 0.000 0.502 165 G N 0.856 109.644 108.800 -0.020 0.000 2.234 165 G HA2 -0.306 3.654 3.960 0.001 0.000 0.260 165 G HA3 -0.306 3.654 3.960 0.001 0.000 0.260 165 G C 0.677 175.613 174.900 0.059 0.000 0.987 165 G CA 1.040 46.161 45.100 0.035 0.000 0.625 165 G HN 0.849 nan 8.290 nan 0.000 0.532 166 E N -0.505 119.711 120.200 0.026 0.000 2.502 166 E HA 0.368 4.719 4.350 0.001 0.000 0.194 166 E C 0.338 177.004 176.600 0.110 0.000 1.062 166 E CA 0.440 56.877 56.400 0.062 0.000 0.867 166 E CB 0.321 30.043 29.700 0.037 0.000 0.888 166 E HN 0.358 nan 8.360 nan 0.000 0.510 167 V N 1.392 121.349 119.914 0.072 0.000 2.483 167 V HA 0.231 4.351 4.120 0.001 0.000 0.297 167 V C -0.809 175.391 176.094 0.176 0.000 1.027 167 V CA -0.903 61.466 62.300 0.115 0.000 0.855 167 V CB 1.232 33.008 31.823 -0.080 0.000 0.995 167 V HN 0.021 nan 8.190 nan 0.000 0.424 168 F N 5.576 125.589 119.950 0.105 0.000 2.444 168 F HA 0.563 5.091 4.527 0.001 0.000 0.360 168 F C 0.032 175.912 175.800 0.133 0.000 1.106 168 F CA -0.168 57.897 58.000 0.108 0.000 1.170 168 F CB 0.995 40.079 39.000 0.140 0.000 1.113 168 F HN 0.268 nan 8.300 nan 0.000 0.521 169 V N 5.955 125.750 119.914 -0.199 0.000 2.513 169 V HA 0.285 4.406 4.120 0.001 0.000 0.299 169 V C -0.907 175.140 176.094 -0.079 0.000 1.035 169 V CA -0.771 61.489 62.300 -0.068 0.000 0.889 169 V CB 1.479 33.230 31.823 -0.119 0.000 0.988 169 V HN 0.684 nan 8.190 nan 0.000 0.440 170 H N 4.588 123.652 119.070 -0.009 0.000 2.589 170 H HA 0.702 5.259 4.556 0.001 0.000 0.351 170 H C -0.645 174.720 175.328 0.062 0.000 1.074 170 H CA -0.823 55.213 56.048 -0.020 0.000 1.203 170 H CB 1.246 31.038 29.762 0.050 0.000 1.558 170 H HN 0.614 nan 8.280 nan 0.000 0.522 171 R N 3.817 124.160 120.500 -0.261 0.000 2.574 171 R HA 0.360 4.700 4.340 0.001 0.000 0.288 171 R C -0.911 175.264 176.300 -0.208 0.000 1.004 171 R CA -1.044 54.930 56.100 -0.209 0.000 0.895 171 R CB 1.618 31.853 30.300 -0.107 0.000 1.191 171 R HN 0.893 nan 8.270 nan 0.000 0.444 172 N N 1.029 119.609 118.700 -0.200 0.000 3.243 172 N HA 0.279 5.019 4.740 0.001 0.000 0.280 172 N C -0.855 174.576 175.510 -0.131 0.000 1.545 172 N CA -0.898 52.061 53.050 -0.153 0.000 0.854 172 N CB 0.645 39.089 38.487 -0.073 0.000 1.612 172 N HN 0.230 nan 8.380 nan 0.000 0.577 173 I N 0.890 121.368 120.570 -0.153 0.000 2.581 173 I HA 0.245 4.416 4.170 0.001 0.000 0.285 173 I C 1.034 177.270 176.117 0.198 0.000 1.129 173 I CA 0.680 61.950 61.300 -0.050 0.000 1.397 173 I CB -0.601 37.294 38.000 -0.174 0.000 1.399 173 I HN 0.925 nan 8.210 nan 0.000 0.537 174 A N 6.444 129.314 122.820 0.084 0.000 2.872 174 A HA -0.245 4.076 4.320 0.001 0.000 0.273 174 A C 0.972 178.583 177.584 0.046 0.000 1.442 174 A CA 0.925 53.010 52.037 0.080 0.000 0.801 174 A CB -2.334 16.715 19.000 0.082 0.000 1.031 174 A HN 1.099 nan 8.150 nan 0.000 0.582 175 N N -1.903 116.812 118.700 0.025 0.000 2.699 175 N HA -0.241 4.499 4.740 0.001 0.000 0.256 175 N C -0.303 175.156 175.510 -0.084 0.000 0.993 175 N CA 1.439 54.467 53.050 -0.037 0.000 0.759 175 N CB -1.080 37.367 38.487 -0.066 0.000 0.906 175 N HN 0.802 nan 8.380 nan 0.000 0.541 176 Q N -0.211 119.562 119.800 -0.044 0.000 2.299 176 Q HA 0.302 4.642 4.340 0.001 0.000 0.246 176 Q C 0.071 175.831 176.000 -0.399 0.000 0.935 176 Q CA -0.091 55.583 55.803 -0.215 0.000 0.887 176 Q CB 1.565 30.125 28.738 -0.297 0.000 1.223 176 Q HN 0.484 nan 8.270 nan 0.000 0.439 177 C N 3.589 122.504 119.300 -0.642 0.000 3.273 177 C HA 0.422 4.882 4.460 0.001 0.000 0.227 177 C C 0.460 174.916 174.990 -0.889 0.000 1.409 177 C CA -0.758 57.513 59.018 -1.245 0.000 1.516 177 C CB -1.032 26.048 27.740 -1.100 0.000 1.853 177 C HN 0.656 nan 8.230 nan 0.000 0.472 178 I N 1.710 121.877 120.570 -0.671 0.000 2.618 178 I HA 0.017 4.187 4.170 0.001 0.000 0.284 178 I C 1.672 177.702 176.117 -0.146 0.000 1.146 178 I CA 0.256 61.224 61.300 -0.554 0.000 1.425 178 I CB 0.623 38.187 38.000 -0.726 0.000 1.383 178 I HN 0.637 nan 8.210 nan 0.000 0.562 179 H N 2.755 121.812 119.070 -0.021 0.000 2.292 179 H HA -0.199 4.358 4.556 0.001 0.000 0.292 179 H C 1.769 177.172 175.328 0.124 0.000 1.100 179 H CA 2.071 58.177 56.048 0.097 0.000 1.238 179 H CB -0.036 29.767 29.762 0.068 0.000 1.355 179 H HN 0.712 nan 8.280 nan 0.000 0.484 180 S N 0.070 115.903 115.700 0.220 0.000 2.582 180 S HA 0.033 4.503 4.470 0.001 0.000 0.234 180 S C 0.022 174.725 174.600 0.173 0.000 0.961 180 S CA -0.333 57.970 58.200 0.172 0.000 0.953 180 S CB 0.212 63.502 63.200 0.150 0.000 0.800 180 S HN 0.222 nan 8.310 nan 0.000 0.471 181 D N 1.673 122.196 120.400 0.206 0.000 2.336 181 D HA 0.230 4.870 4.640 0.001 0.000 0.249 181 D C 0.729 177.159 176.300 0.216 0.000 1.213 181 D CA -0.495 53.660 54.000 0.258 0.000 0.870 181 D CB 0.499 41.486 40.800 0.312 0.000 1.076 181 D HN 0.158 nan 8.370 nan 0.000 0.483 182 I N 3.273 123.951 120.570 0.180 0.000 2.493 182 I HA -0.149 4.021 4.170 0.001 0.000 0.254 182 I C 1.988 178.015 176.117 -0.151 0.000 1.160 182 I CA 0.951 62.299 61.300 0.081 0.000 1.445 182 I CB -0.048 38.091 38.000 0.231 0.000 1.086 182 I HN 0.437 nan 8.210 nan 0.000 0.433 183 S N -0.096 115.563 115.700 -0.068 0.000 2.383 183 S HA -0.216 4.254 4.470 0.001 0.000 0.227 183 S C 2.060 176.414 174.600 -0.410 0.000 1.026 183 S CA 1.516 59.459 58.200 -0.429 0.000 0.981 183 S CB -0.623 62.653 63.200 0.127 0.000 0.818 183 S HN 0.583 nan 8.310 nan 0.000 0.472 184 F N 2.143 121.992 119.950 -0.169 0.000 2.149 184 F HA 0.193 4.720 4.527 0.001 0.000 0.294 184 F C 1.715 177.370 175.800 -0.241 0.000 1.095 184 F CA 1.159 59.047 58.000 -0.187 0.000 1.276 184 F CB -0.767 38.287 39.000 0.089 0.000 1.023 184 F HN 0.173 nan 8.300 nan 0.000 0.480 185 L N 0.602 121.384 121.223 -0.734 0.000 2.042 185 L HA -0.229 4.111 4.340 0.001 0.000 0.210 185 L C 2.802 179.382 176.870 -0.484 0.000 1.076 185 L CA 1.683 56.099 54.840 -0.707 0.000 0.749 185 L CB -1.117 40.739 42.059 -0.339 0.000 0.893 185 L HN 0.407 nan 8.230 nan 0.000 0.432 186 S N -1.058 114.356 115.700 -0.476 0.000 2.383 186 S HA -0.107 4.363 4.470 0.001 0.000 0.227 186 S C 1.911 176.290 174.600 -0.369 0.000 1.026 186 S CA 0.947 58.885 58.200 -0.436 0.000 0.981 186 S CB -0.649 62.130 63.200 -0.702 0.000 0.818 186 S HN 0.160 nan 8.310 nan 0.000 0.472 187 V N 1.877 121.508 119.914 -0.472 0.000 2.358 187 V HA -0.052 4.069 4.120 0.001 0.000 0.246 187 V C 2.505 178.589 176.094 -0.017 0.000 1.047 187 V CA 1.589 63.760 62.300 -0.216 0.000 1.035 187 V CB -0.736 30.831 31.823 -0.427 0.000 0.658 187 V HN 0.479 nan 8.190 nan 0.000 0.452 188 L N -0.328 120.764 121.223 -0.218 0.000 1.989 188 L HA -0.287 4.053 4.340 0.001 0.000 0.211 188 L C 2.655 179.461 176.870 -0.106 0.000 1.071 188 L CA 2.366 57.100 54.840 -0.176 0.000 0.749 188 L CB -0.377 41.419 42.059 -0.438 0.000 0.890 188 L HN 0.428 nan 8.230 nan 0.000 0.431 189 Q N -1.399 118.326 119.800 -0.125 0.000 2.124 189 Q HA -0.295 4.045 4.340 0.001 0.000 0.202 189 Q C 2.141 178.184 176.000 0.073 0.000 0.977 189 Q CA 2.013 57.790 55.803 -0.044 0.000 0.850 189 Q CB -0.297 28.421 28.738 -0.033 0.000 0.901 189 Q HN 0.539 nan 8.270 nan 0.000 0.429 190 Y N 0.150 120.440 120.300 -0.017 0.000 2.114 190 Y HA -0.221 4.329 4.550 0.001 0.000 0.284 190 Y C 2.106 177.955 175.900 -0.086 0.000 1.143 190 Y CA 1.743 59.850 58.100 0.011 0.000 1.135 190 Y CB -0.537 37.867 38.460 -0.093 0.000 0.980 190 Y HN 0.223 nan 8.280 nan 0.000 0.499 191 A N -0.770 122.033 122.820 -0.029 0.000 1.908 191 A HA -0.182 4.138 4.320 0.001 0.000 0.218 191 A C 2.298 179.774 177.584 -0.180 0.000 1.181 191 A CA 2.321 54.229 52.037 -0.214 0.000 0.627 191 A CB -1.304 17.704 19.000 0.014 0.000 0.818 191 A HN 0.346 nan 8.150 nan 0.000 0.445 192 V N -1.017 118.827 119.914 -0.117 0.000 2.346 192 V HA -0.202 3.918 4.120 0.001 0.000 0.244 192 V C 2.623 178.630 176.094 -0.144 0.000 1.037 192 V CA 2.204 64.426 62.300 -0.130 0.000 1.029 192 V CB -0.726 31.019 31.823 -0.130 0.000 0.663 192 V HN 0.580 nan 8.190 nan 0.000 0.454 193 Q N -1.640 118.082 119.800 -0.130 0.000 2.165 193 Q HA 0.006 4.347 4.340 0.001 0.000 0.197 193 Q C 2.049 177.894 176.000 -0.258 0.000 0.952 193 Q CA 1.473 57.171 55.803 -0.174 0.000 0.848 193 Q CB -0.200 28.441 28.738 -0.162 0.000 0.931 193 Q HN 0.688 nan 8.270 nan 0.000 0.470 194 Y N -0.097 119.979 120.300 -0.374 0.000 2.153 194 Y HA -0.054 4.496 4.550 0.000 0.000 0.289 194 Y C 1.761 177.378 175.900 -0.473 0.000 1.119 194 Y CA 1.032 58.828 58.100 -0.507 0.000 1.116 194 Y CB 0.007 37.867 38.460 -1.001 0.000 1.004 194 Y HN 0.006 nan 8.280 nan 0.000 0.501 195 L N -0.311 120.684 121.223 -0.381 0.000 2.418 195 L HA -0.062 4.278 4.340 0.001 0.000 0.218 195 L C 0.320 177.063 176.870 -0.212 0.000 1.125 195 L CA 0.456 55.108 54.840 -0.314 0.000 0.835 195 L CB -0.280 41.526 42.059 -0.422 0.000 0.953 195 L HN 0.108 nan 8.230 nan 0.000 0.454 196 K N 0.276 120.559 120.400 -0.196 0.000 3.150 196 K HA -0.151 4.169 4.320 0.001 0.000 0.267 196 K C -0.212 176.296 176.600 -0.153 0.000 1.028 196 K CA 0.262 56.455 56.287 -0.156 0.000 0.753 196 K CB -2.385 30.035 32.500 -0.133 0.000 1.288 196 K HN 0.100 nan 8.250 nan 0.000 0.473 197 V N 1.285 121.103 119.914 -0.159 0.000 2.763 197 V HA -0.046 4.075 4.120 0.001 0.000 0.306 197 V C 1.628 177.605 176.094 -0.195 0.000 1.059 197 V CA 0.535 62.746 62.300 -0.148 0.000 1.138 197 V CB 0.916 32.682 31.823 -0.095 0.000 0.940 197 V HN 0.261 nan 8.190 nan 0.000 0.489 198 K N 3.310 123.524 120.400 -0.310 0.000 2.308 198 K HA 0.192 4.512 4.320 0.001 0.000 0.197 198 K C 0.136 176.303 176.600 -0.722 0.000 1.049 198 K CA 0.739 56.712 56.287 -0.524 0.000 0.991 198 K CB 0.080 32.165 32.500 -0.691 0.000 0.836 198 K HN 0.814 nan 8.250 nan 0.000 0.500 199 H N -1.027 117.911 119.070 -0.219 0.000 2.771 199 H HA 0.468 5.024 4.556 0.000 0.000 0.361 199 H C -0.797 174.544 175.328 0.022 0.000 1.108 199 H CA -0.543 55.425 56.048 -0.134 0.000 1.201 199 H CB 2.105 31.661 29.762 -0.343 0.000 1.681 199 H HN -0.172 nan 8.280 nan 0.000 0.534 200 I N 3.721 124.423 120.570 0.219 0.000 2.406 200 I HA 0.289 4.459 4.170 0.001 0.000 0.290 200 I C -0.878 175.362 176.117 0.204 0.000 0.999 200 I CA -0.518 60.907 61.300 0.208 0.000 1.124 200 I CB 1.553 39.633 38.000 0.132 0.000 1.289 200 I HN 0.272 nan 8.210 nan 0.000 0.441 201 L N 6.677 128.009 121.223 0.181 0.000 2.362 201 L HA 0.577 4.918 4.340 0.001 0.000 0.275 201 L C -0.796 175.957 176.870 -0.195 0.000 0.998 201 L CA -0.916 53.926 54.840 0.003 0.000 0.820 201 L CB 2.235 44.283 42.059 -0.018 0.000 1.270 201 L HN 0.251 nan 8.230 nan 0.000 0.415 202 V N 2.243 122.024 119.914 -0.222 0.000 2.347 202 V HA 0.303 4.423 4.120 0.001 0.000 0.280 202 V C -0.405 175.446 176.094 -0.404 0.000 1.021 202 V CA -0.527 61.608 62.300 -0.275 0.000 0.847 202 V CB 1.591 33.326 31.823 -0.146 0.000 0.990 202 V HN 0.859 nan 8.190 nan 0.000 0.444 203 C N 4.919 123.859 119.300 -0.600 0.000 2.369 203 C HA 0.915 5.375 4.460 0.001 0.000 0.322 203 C C 0.701 175.564 174.990 -0.212 0.000 1.258 203 C CA -0.030 58.677 59.018 -0.518 0.000 1.487 203 C CB 0.091 27.218 27.740 -1.022 0.000 2.165 203 C HN 1.040 nan 8.230 nan 0.000 0.483 204 G N 3.198 111.928 108.800 -0.117 0.000 2.597 204 G HA2 0.792 4.752 3.960 0.001 0.000 0.317 204 G HA3 0.792 4.752 3.960 0.001 0.000 0.317 204 G C -1.349 173.509 174.900 -0.071 0.000 1.230 204 G CA -0.505 44.561 45.100 -0.057 0.000 0.996 204 G HN 1.077 nan 8.290 nan 0.000 0.490 205 H N -2.564 116.303 119.070 -0.338 0.000 2.894 205 H HA 0.519 5.075 4.556 0.001 0.000 0.367 205 H C -1.489 173.596 175.328 -0.404 0.000 1.144 205 H CA -1.121 54.587 56.048 -0.567 0.000 1.180 205 H CB 1.037 30.435 29.762 -0.606 0.000 1.758 205 H HN 0.476 nan 8.280 nan 0.000 0.541 206 Y N 1.386 121.505 120.300 -0.301 0.000 2.578 206 Y HA 0.245 4.795 4.550 0.001 0.000 0.339 206 Y C 1.787 177.519 175.900 -0.279 0.000 1.231 206 Y CA 1.173 59.128 58.100 -0.240 0.000 1.461 206 Y CB 0.851 39.230 38.460 -0.134 0.000 1.323 206 Y HN 1.170 nan 8.280 nan 0.000 0.590 207 G N 0.635 109.408 108.800 -0.045 0.000 2.162 207 G HA2 -0.365 3.595 3.960 0.001 0.000 0.260 207 G HA3 -0.365 3.595 3.960 0.001 0.000 0.260 207 G C 0.241 175.039 174.900 -0.169 0.000 0.976 207 G CA -0.254 44.805 45.100 -0.069 0.000 0.655 207 G HN 0.897 nan 8.290 nan 0.000 0.533 208 C N 1.857 120.895 119.300 -0.437 0.000 2.409 208 C HA 0.411 4.872 4.460 0.001 0.000 0.398 208 C C 2.394 177.331 174.990 -0.089 0.000 1.507 208 C CA 0.966 59.714 59.018 -0.450 0.000 1.460 208 C CB -0.687 26.762 27.740 -0.485 0.000 2.472 208 C HN 1.078 nan 8.230 nan 0.000 0.614 209 G N 4.846 113.677 108.800 0.050 0.000 2.450 209 G HA2 -0.070 3.891 3.960 0.001 0.000 0.220 209 G HA3 -0.070 3.891 3.960 0.001 0.000 0.220 209 G C 1.552 176.478 174.900 0.043 0.000 1.130 209 G CA 1.004 46.169 45.100 0.108 0.000 0.760 209 G HN 1.040 nan 8.290 nan 0.000 0.557 210 G N 0.992 109.774 108.800 -0.031 0.000 2.404 210 G HA2 0.083 4.043 3.960 0.001 0.000 0.215 210 G HA3 0.083 4.043 3.960 0.001 0.000 0.215 210 G C 2.046 176.953 174.900 0.011 0.000 1.174 210 G CA 1.430 46.506 45.100 -0.040 0.000 0.780 210 G HN 0.607 nan 8.290 nan 0.000 0.537 211 A N 0.537 123.352 122.820 -0.010 0.000 1.930 211 A HA 0.026 4.347 4.320 0.001 0.000 0.217 211 A C 2.203 179.785 177.584 -0.003 0.000 1.175 211 A CA 2.078 54.107 52.037 -0.013 0.000 0.627 211 A CB -0.380 18.594 19.000 -0.044 0.000 0.815 211 A HN 0.392 nan 8.150 nan 0.000 0.443 212 K N -0.329 120.070 120.400 -0.001 0.000 2.057 212 K HA -0.062 4.258 4.320 0.001 0.000 0.206 212 K C 2.147 178.756 176.600 0.016 0.000 1.050 212 K CA 1.135 57.426 56.287 0.008 0.000 0.935 212 K CB -0.307 32.203 32.500 0.017 0.000 0.715 212 K HN 0.366 nan 8.250 nan 0.000 0.439 213 A N 0.991 123.831 122.820 0.034 0.000 1.933 213 A HA -0.096 4.224 4.320 0.001 0.000 0.218 213 A C 2.276 179.870 177.584 0.015 0.000 1.175 213 A CA 1.767 53.821 52.037 0.029 0.000 0.628 213 A CB -0.721 18.324 19.000 0.075 0.000 0.814 213 A HN 0.466 nan 8.150 nan 0.000 0.444 214 A N -0.679 122.154 122.820 0.023 0.000 2.019 214 A HA 0.010 4.330 4.320 0.001 0.000 0.219 214 A C 2.101 179.687 177.584 0.003 0.000 1.164 214 A CA 1.535 53.582 52.037 0.016 0.000 0.644 214 A CB -0.376 18.634 19.000 0.016 0.000 0.805 214 A HN 0.488 nan 8.150 nan 0.000 0.449 215 L N -2.281 118.942 121.223 0.000 0.000 2.286 215 L HA 0.144 4.484 4.340 0.001 0.000 0.203 215 L C 2.270 179.135 176.870 -0.008 0.000 1.068 215 L CA 0.852 55.690 54.840 -0.004 0.000 0.811 215 L CB -0.157 41.900 42.059 -0.003 0.000 0.989 215 L HN 0.451 nan 8.230 nan 0.000 0.467 216 G N -1.143 107.652 108.800 -0.009 0.000 3.393 216 G HA2 0.135 4.095 3.960 0.001 0.000 0.255 216 G HA3 0.135 4.095 3.960 0.001 0.000 0.255 216 G C -0.191 174.694 174.900 -0.025 0.000 1.097 216 G CA -0.117 44.974 45.100 -0.014 0.000 0.780 216 G HN 0.147 nan 8.290 nan 0.000 0.540 217 D N 0.092 120.474 120.400 -0.030 0.000 2.756 217 D HA 0.467 5.107 4.640 0.001 0.000 0.226 217 D C -0.609 175.666 176.300 -0.042 0.000 1.186 217 D CA -0.192 53.777 54.000 -0.052 0.000 0.845 217 D CB 2.243 42.987 40.800 -0.093 0.000 1.610 217 D HN 0.214 nan 8.370 nan 0.000 0.465 218 S N -0.068 115.607 115.700 -0.041 0.000 2.732 218 S HA 0.614 5.085 4.470 0.001 0.000 0.293 218 S C 0.019 174.609 174.600 -0.018 0.000 1.159 218 S CA -0.862 57.325 58.200 -0.022 0.000 0.847 218 S CB 2.388 65.581 63.200 -0.012 0.000 1.169 218 S HN 0.571 nan 8.310 nan 0.000 0.501 219 R N -0.310 120.192 120.500 0.004 0.000 3.525 219 R HA -0.116 4.224 4.340 0.001 0.000 0.276 219 R C 0.236 176.560 176.300 0.041 0.000 1.116 219 R CA 0.724 56.837 56.100 0.020 0.000 0.745 219 R CB -2.373 27.936 30.300 0.015 0.000 1.185 219 R HN 0.668 nan 8.270 nan 0.000 0.454 220 L N -0.534 120.715 121.223 0.044 0.000 2.599 220 L HA 0.095 4.436 4.340 0.001 0.000 0.230 220 L C 1.698 178.690 176.870 0.203 0.000 1.141 220 L CA 0.771 55.671 54.840 0.100 0.000 0.877 220 L CB -0.229 41.838 42.059 0.014 0.000 1.009 220 L HN 0.700 nan 8.230 nan 0.000 0.447 221 G N 0.469 109.343 108.800 0.123 0.000 2.512 221 G HA2 -0.337 3.623 3.960 0.001 0.000 0.254 221 G HA3 -0.337 3.623 3.960 0.001 0.000 0.254 221 G C 0.603 175.564 174.900 0.100 0.000 1.199 221 G CA -0.005 45.156 45.100 0.101 0.000 0.941 221 G HN 0.025 nan 8.290 nan 0.000 0.569 222 L N 0.874 122.144 121.223 0.077 0.000 2.011 222 L HA -0.130 4.211 4.340 0.001 0.000 0.225 222 L C 2.751 179.692 176.870 0.120 0.000 1.084 222 L CA 3.313 58.197 54.840 0.072 0.000 0.791 222 L CB -1.254 40.816 42.059 0.019 0.000 0.898 222 L HN 0.813 nan 8.230 nan 0.000 0.440 223 I N -0.274 120.383 120.570 0.145 0.000 2.530 223 I HA -0.292 3.878 4.170 0.001 0.000 0.257 223 I C 1.853 178.108 176.117 0.229 0.000 1.179 223 I CA 1.307 62.725 61.300 0.197 0.000 1.440 223 I CB -0.257 37.886 38.000 0.238 0.000 1.087 223 I HN 0.348 nan 8.210 nan 0.000 0.440 224 D N 0.901 121.403 120.400 0.170 0.000 2.219 224 D HA -0.145 4.495 4.640 0.001 0.000 0.205 224 D C 1.769 178.142 176.300 0.121 0.000 0.970 224 D CA 0.788 54.864 54.000 0.127 0.000 0.851 224 D CB -0.191 40.658 40.800 0.082 0.000 0.943 224 D HN 0.460 nan 8.370 nan 0.000 0.488 225 N N -0.288 118.499 118.700 0.144 0.000 2.270 225 N HA -0.133 4.607 4.740 0.001 0.000 0.181 225 N C 1.816 177.439 175.510 0.188 0.000 1.016 225 N CA 0.383 53.507 53.050 0.124 0.000 0.870 225 N CB -0.136 38.431 38.487 0.132 0.000 0.979 225 N HN 0.436 nan 8.380 nan 0.000 0.431 226 W N 2.278 123.629 121.300 0.086 0.000 2.407 226 W HA 0.008 4.668 4.660 0.000 0.000 0.305 226 W C 1.505 178.107 176.519 0.139 0.000 1.196 226 W CA 0.572 58.002 57.345 0.143 0.000 1.311 226 W CB -0.182 29.330 29.460 0.087 0.000 1.135 226 W HN -0.032 nan 8.180 nan 0.000 0.514 227 L N 1.158 122.536 121.223 0.258 0.000 2.450 227 L HA -0.184 4.156 4.340 0.001 0.000 0.224 227 L C 2.500 179.371 176.870 0.003 0.000 1.149 227 L CA 0.603 55.515 54.840 0.119 0.000 0.816 227 L CB -0.784 41.356 42.059 0.135 0.000 0.932 227 L HN -0.154 nan 8.230 nan 0.000 0.449 228 R N -0.468 119.998 120.500 -0.057 0.000 2.152 228 R HA -0.115 4.225 4.340 0.001 0.000 0.232 228 R C 2.045 178.206 176.300 -0.232 0.000 1.117 228 R CA 0.983 56.993 56.100 -0.150 0.000 0.981 228 R CB -0.731 29.443 30.300 -0.210 0.000 0.870 228 R HN 0.523 nan 8.270 nan 0.000 0.451 229 H N 0.022 118.999 119.070 -0.155 0.000 2.423 229 H HA 0.043 4.600 4.556 0.001 0.000 0.297 229 H C 2.147 177.384 175.328 -0.152 0.000 1.075 229 H CA 1.047 56.979 56.048 -0.194 0.000 1.342 229 H CB 0.084 29.638 29.762 -0.346 0.000 1.395 229 H HN 0.147 nan 8.280 nan 0.000 0.530 230 I N 0.515 121.069 120.570 -0.026 0.000 2.394 230 I HA -0.195 3.975 4.170 0.001 0.000 0.251 230 I C 2.482 178.583 176.117 -0.027 0.000 1.136 230 I CA 0.638 61.921 61.300 -0.028 0.000 1.425 230 I CB -0.070 37.921 38.000 -0.015 0.000 1.079 230 I HN 0.072 nan 8.210 nan 0.000 0.425 231 R N 0.764 121.242 120.500 -0.037 0.000 2.115 231 R HA -0.138 4.203 4.340 0.001 0.000 0.230 231 R C 1.611 177.888 176.300 -0.038 0.000 1.111 231 R CA 1.229 57.307 56.100 -0.036 0.000 0.976 231 R CB -0.620 29.652 30.300 -0.046 0.000 0.870 231 R HN 0.367 nan 8.270 nan 0.000 0.445 232 D N 0.080 120.450 120.400 -0.049 0.000 2.144 232 D HA -0.088 4.553 4.640 0.001 0.000 0.200 232 D C 1.973 178.261 176.300 -0.020 0.000 0.978 232 D CA 0.709 54.687 54.000 -0.036 0.000 0.833 232 D CB -0.014 40.766 40.800 -0.032 0.000 0.961 232 D HN -0.039 nan 8.370 nan 0.000 0.470 233 V N 0.676 120.579 119.914 -0.018 0.000 2.343 233 V HA -0.196 3.925 4.120 0.001 0.000 0.247 233 V C 2.525 178.621 176.094 0.004 0.000 1.051 233 V CA 1.455 63.750 62.300 -0.008 0.000 1.036 233 V CB -0.397 31.418 31.823 -0.014 0.000 0.654 233 V HN 0.131 nan 8.190 nan 0.000 0.451 234 R N -0.028 120.470 120.500 -0.003 0.000 2.081 234 R HA -0.174 4.166 4.340 0.001 0.000 0.235 234 R C 2.548 178.843 176.300 -0.008 0.000 1.131 234 R CA 1.747 57.847 56.100 0.001 0.000 0.960 234 R CB -0.218 30.079 30.300 -0.005 0.000 0.856 234 R HN 0.453 nan 8.270 nan 0.000 0.436 235 R N 0.227 120.716 120.500 -0.017 0.000 2.070 235 R HA -0.105 4.235 4.340 0.001 0.000 0.233 235 R C 2.229 178.511 176.300 -0.030 0.000 1.137 235 R CA 1.968 58.053 56.100 -0.025 0.000 0.945 235 R CB -0.209 30.075 30.300 -0.027 0.000 0.845 235 R HN 0.218 nan 8.270 nan 0.000 0.430 236 M N 0.386 119.974 119.600 -0.020 0.000 2.358 236 M HA -0.099 4.381 4.480 0.001 0.000 0.264 236 M C 0.486 176.771 176.300 -0.024 0.000 1.064 236 M CA 1.202 56.489 55.300 -0.021 0.000 1.093 236 M CB 0.116 32.711 32.600 -0.009 0.000 1.401 236 M HN 0.154 nan 8.290 nan 0.000 0.440 237 N N -0.144 118.554 118.700 -0.002 0.000 2.401 237 N HA 0.269 5.010 4.740 0.001 0.000 0.264 237 N C 0.903 176.381 175.510 -0.052 0.000 1.238 237 N CA 0.102 53.164 53.050 0.019 0.000 0.889 237 N CB 0.644 39.255 38.487 0.206 0.000 1.196 237 N HN 0.161 nan 8.380 nan 0.000 0.511 238 A N 2.171 124.937 122.820 -0.090 0.000 1.917 238 A HA -0.256 4.064 4.320 0.001 0.000 0.219 238 A C 2.219 179.728 177.584 -0.126 0.000 1.182 238 A CA 1.522 53.510 52.037 -0.081 0.000 0.633 238 A CB -0.342 18.613 19.000 -0.075 0.000 0.819 238 A HN 0.434 nan 8.150 nan 0.000 0.448 239 K N -1.280 118.963 120.400 -0.261 0.000 2.113 239 K HA -0.223 4.098 4.320 0.001 0.000 0.208 239 K C 1.815 178.269 176.600 -0.244 0.000 1.047 239 K CA 1.943 58.038 56.287 -0.321 0.000 0.928 239 K CB -0.657 31.542 32.500 -0.501 0.000 0.716 239 K HN 0.647 nan 8.250 nan 0.000 0.446 240 Y N 0.753 121.048 120.300 -0.009 0.000 2.314 240 Y HA -0.034 4.516 4.550 0.001 0.000 0.294 240 Y C 2.304 178.199 175.900 -0.008 0.000 1.119 240 Y CA -0.279 57.816 58.100 -0.008 0.000 1.179 240 Y CB 0.072 38.528 38.460 -0.006 0.000 1.025 240 Y HN -0.086 nan 8.280 nan 0.000 0.541 241 L N 0.230 121.525 121.223 0.120 0.000 2.072 241 L HA -0.156 4.184 4.340 0.001 0.000 0.205 241 L C 1.564 178.453 176.870 0.031 0.000 1.079 241 L CA 1.600 56.479 54.840 0.066 0.000 0.752 241 L CB -1.211 40.874 42.059 0.044 0.000 0.906 241 L HN 0.254 nan 8.230 nan 0.000 0.436 242 D N -0.307 120.098 120.400 0.008 0.000 2.263 242 D HA -0.192 4.449 4.640 0.001 0.000 0.208 242 D C 2.095 178.399 176.300 0.007 0.000 0.971 242 D CA 0.674 54.673 54.000 -0.002 0.000 0.867 242 D CB 0.072 40.861 40.800 -0.019 0.000 0.929 242 D HN 0.102 nan 8.370 nan 0.000 0.492 243 K N 0.563 120.976 120.400 0.022 0.000 2.148 243 K HA -0.033 4.287 4.320 0.001 0.000 0.204 243 K C 0.128 176.742 176.600 0.023 0.000 1.050 243 K CA 0.164 56.468 56.287 0.029 0.000 0.942 243 K CB -0.231 32.306 32.500 0.060 0.000 0.724 243 K HN 0.074 nan 8.250 nan 0.000 0.446 244 C N 2.680 121.995 119.300 0.025 0.000 2.538 244 C HA 0.014 4.475 4.460 0.001 0.000 0.408 244 C C 1.624 176.616 174.990 0.004 0.000 1.421 244 C CA -0.166 58.860 59.018 0.014 0.000 1.642 244 C CB 0.049 27.798 27.740 0.015 0.000 2.553 244 C HN 0.601 nan 8.230 nan 0.000 0.604 245 K N 1.743 122.142 120.400 -0.002 0.000 2.211 245 K HA -0.045 4.275 4.320 0.001 0.000 0.203 245 K C -0.010 176.585 176.600 -0.008 0.000 1.050 245 K CA 1.518 57.802 56.287 -0.006 0.000 0.945 245 K CB -0.004 32.491 32.500 -0.008 0.000 0.732 245 K HN 0.901 nan 8.250 nan 0.000 0.451 246 D N -2.841 117.553 120.400 -0.010 0.000 2.665 246 D HA 0.226 4.867 4.640 0.001 0.000 0.287 246 D C 0.741 177.034 176.300 -0.012 0.000 1.266 246 D CA -0.430 53.564 54.000 -0.011 0.000 0.830 246 D CB 0.454 41.245 40.800 -0.014 0.000 1.356 246 D HN -0.109 nan 8.370 nan 0.000 0.437 247 G N -0.432 108.361 108.800 -0.011 0.000 2.469 247 G HA2 -0.293 3.668 3.960 0.001 0.000 0.219 247 G HA3 -0.293 3.668 3.960 0.001 0.000 0.219 247 G C 0.821 175.712 174.900 -0.014 0.000 1.150 247 G CA 1.257 46.351 45.100 -0.010 0.000 0.763 247 G HN 0.554 nan 8.290 nan 0.000 0.561 248 D N 0.035 120.423 120.400 -0.021 0.000 2.117 248 D HA -0.064 4.576 4.640 0.001 0.000 0.198 248 D C 2.247 178.520 176.300 -0.045 0.000 0.982 248 D CA 1.169 55.149 54.000 -0.033 0.000 0.828 248 D CB -0.333 40.442 40.800 -0.041 0.000 0.967 248 D HN 0.566 nan 8.370 nan 0.000 0.464 249 E N 0.754 120.929 120.200 -0.041 0.000 2.110 249 E HA -0.201 4.149 4.350 0.001 0.000 0.193 249 E C 1.881 178.468 176.600 -0.021 0.000 0.988 249 E CA 0.930 57.304 56.400 -0.043 0.000 0.804 249 E CB 0.095 29.775 29.700 -0.033 0.000 0.745 249 E HN 0.258 nan 8.360 nan 0.000 0.458 250 E N 0.121 120.315 120.200 -0.009 0.000 2.152 250 E HA -0.133 4.217 4.350 0.001 0.000 0.192 250 E C 2.143 178.748 176.600 0.009 0.000 0.983 250 E CA 0.435 56.837 56.400 0.005 0.000 0.818 250 E CB 0.011 29.713 29.700 0.004 0.000 0.758 250 E HN 0.337 nan 8.360 nan 0.000 0.467 251 L N 0.915 122.139 121.223 0.002 0.000 2.044 251 L HA -0.162 4.178 4.340 0.001 0.000 0.205 251 L C 1.927 178.819 176.870 0.036 0.000 1.075 251 L CA 1.118 55.964 54.840 0.010 0.000 0.747 251 L CB -0.473 41.586 42.059 0.001 0.000 0.903 251 L HN 0.232 nan 8.230 nan 0.000 0.435 252 N N 0.457 119.175 118.700 0.030 0.000 2.036 252 N HA -0.280 4.460 4.740 0.001 0.000 0.195 252 N C 1.886 177.471 175.510 0.125 0.000 1.037 252 N CA 1.635 54.736 53.050 0.084 0.000 0.855 252 N CB -0.393 38.024 38.487 -0.117 0.000 1.033 252 N HN 0.259 nan 8.380 nan 0.000 0.423 253 R N 1.163 121.696 120.500 0.054 0.000 2.096 253 R HA 0.067 4.407 4.340 0.001 0.000 0.235 253 R C 2.293 178.621 176.300 0.047 0.000 1.127 253 R CA 0.669 56.800 56.100 0.050 0.000 0.968 253 R CB -0.568 29.753 30.300 0.036 0.000 0.861 253 R HN 0.216 nan 8.270 nan 0.000 0.440 254 L N 0.148 121.395 121.223 0.039 0.000 2.046 254 L HA -0.163 4.177 4.340 0.001 0.000 0.208 254 L C 2.120 178.996 176.870 0.009 0.000 1.077 254 L CA 1.685 56.540 54.840 0.024 0.000 0.747 254 L CB -0.266 41.801 42.059 0.013 0.000 0.896 254 L HN 0.343 nan 8.230 nan 0.000 0.432 255 I N -0.073 120.505 120.570 0.013 0.000 2.208 255 I HA -0.340 3.830 4.170 0.001 0.000 0.245 255 I C 2.369 178.463 176.117 -0.038 0.000 1.097 255 I CA 1.488 62.772 61.300 -0.028 0.000 1.363 255 I CB -0.202 37.776 38.000 -0.037 0.000 1.051 255 I HN 0.325 nan 8.210 nan 0.000 0.413 256 E N 0.626 120.835 120.200 0.014 0.000 2.072 256 E HA -0.181 4.169 4.350 0.001 0.000 0.191 256 E C 2.301 178.892 176.600 -0.015 0.000 0.985 256 E CA 1.067 57.469 56.400 0.002 0.000 0.801 256 E CB -0.090 29.643 29.700 0.056 0.000 0.750 256 E HN 0.451 nan 8.360 nan 0.000 0.452 257 L N 1.067 122.287 121.223 -0.006 0.000 2.141 257 L HA -0.157 4.183 4.340 0.001 0.000 0.209 257 L C 2.349 179.210 176.870 -0.015 0.000 1.094 257 L CA 0.757 55.593 54.840 -0.007 0.000 0.763 257 L CB -0.330 41.743 42.059 0.024 0.000 0.908 257 L HN 0.163 nan 8.230 nan 0.000 0.437 258 N N 0.086 118.771 118.700 -0.026 0.000 2.058 258 N HA -0.173 4.567 4.740 0.001 0.000 0.191 258 N C 1.742 177.216 175.510 -0.060 0.000 1.037 258 N CA 1.534 54.556 53.050 -0.046 0.000 0.848 258 N CB -0.195 38.261 38.487 -0.052 0.000 1.021 258 N HN 0.004 nan 8.380 nan 0.000 0.422 259 V N 1.013 120.889 119.914 -0.064 0.000 2.287 259 V HA -0.220 3.901 4.120 0.001 0.000 0.248 259 V C 2.460 178.528 176.094 -0.043 0.000 1.053 259 V CA 1.462 63.719 62.300 -0.072 0.000 1.027 259 V CB -0.645 31.130 31.823 -0.080 0.000 0.646 259 V HN 0.401 nan 8.190 nan 0.000 0.447 260 L N -0.478 120.732 121.223 -0.021 0.000 2.042 260 L HA -0.211 4.129 4.340 0.001 0.000 0.210 260 L C 2.670 179.559 176.870 0.032 0.000 1.076 260 L CA 1.722 56.568 54.840 0.009 0.000 0.749 260 L CB -0.305 41.757 42.059 0.004 0.000 0.893 260 L HN 0.375 nan 8.230 nan 0.000 0.432 261 E N -0.531 119.672 120.200 0.006 0.000 2.072 261 E HA -0.213 4.137 4.350 0.001 0.000 0.191 261 E C 2.193 178.797 176.600 0.008 0.000 0.985 261 E CA 1.012 57.419 56.400 0.012 0.000 0.801 261 E CB 0.059 29.742 29.700 -0.030 0.000 0.750 261 E HN 0.337 nan 8.360 nan 0.000 0.452 262 Q N -0.227 119.536 119.800 -0.062 0.000 2.119 262 Q HA -0.066 4.274 4.340 0.001 0.000 0.201 262 Q C 2.366 178.328 176.000 -0.064 0.000 0.972 262 Q CA 0.942 56.666 55.803 -0.131 0.000 0.847 262 Q CB -0.713 27.914 28.738 -0.185 0.000 0.903 262 Q HN 0.230 nan 8.270 nan 0.000 0.433 263 V N 1.404 121.315 119.914 -0.006 0.000 2.332 263 V HA -0.279 3.841 4.120 0.001 0.000 0.248 263 V C 2.477 178.618 176.094 0.079 0.000 1.055 263 V CA 2.057 64.381 62.300 0.040 0.000 1.038 263 V CB -0.798 31.061 31.823 0.060 0.000 0.651 263 V HN 0.515 nan 8.190 nan 0.000 0.450 264 H N 0.670 119.762 119.070 0.035 0.000 2.319 264 H HA -0.182 4.374 4.556 0.001 0.000 0.299 264 H C 2.246 177.625 175.328 0.085 0.000 1.092 264 H CA 2.197 58.290 56.048 0.074 0.000 1.302 264 H CB -0.036 29.767 29.762 0.067 0.000 1.373 264 H HN 0.399 nan 8.280 nan 0.000 0.497 265 N N 0.411 119.146 118.700 0.058 0.000 2.120 265 N HA -0.124 4.617 4.740 0.001 0.000 0.188 265 N C 2.298 177.839 175.510 0.052 0.000 1.024 265 N CA 1.172 54.237 53.050 0.025 0.000 0.852 265 N CB -0.570 37.817 38.487 -0.167 0.000 1.003 265 N HN 0.176 nan 8.380 nan 0.000 0.424 266 V N 0.765 120.707 119.914 0.047 0.000 2.295 266 V HA -0.263 3.858 4.120 0.001 0.000 0.246 266 V C 2.397 178.476 176.094 -0.026 0.000 1.049 266 V CA 1.326 63.702 62.300 0.127 0.000 1.024 266 V CB -0.651 31.238 31.823 0.110 0.000 0.648 266 V HN 0.372 nan 8.190 nan 0.000 0.447 267 C N 0.382 119.640 119.300 -0.070 0.000 2.422 267 C HA -0.007 4.454 4.460 0.001 0.000 0.279 267 C C 2.922 177.821 174.990 -0.152 0.000 1.305 267 C CA 0.573 59.504 59.018 -0.145 0.000 1.757 267 C CB -1.435 26.371 27.740 0.110 0.000 1.962 267 C HN 0.614 nan 8.230 nan 0.000 0.499 268 A N 0.567 123.307 122.820 -0.135 0.000 2.169 268 A HA 0.087 4.408 4.320 0.001 0.000 0.212 268 A C 1.314 178.885 177.584 -0.022 0.000 1.153 268 A CA 1.083 53.069 52.037 -0.086 0.000 0.756 268 A CB -0.820 18.104 19.000 -0.126 0.000 0.813 268 A HN 0.671 nan 8.150 nan 0.000 0.471 269 T N -1.365 113.179 114.554 -0.017 0.000 2.903 269 T HA 0.211 4.562 4.350 0.001 0.000 0.314 269 T C 1.318 175.974 174.700 -0.074 0.000 1.078 269 T CA 0.277 62.367 62.100 -0.015 0.000 1.114 269 T CB 0.898 69.736 68.868 -0.049 0.000 0.987 269 T HN 0.552 nan 8.240 nan 0.000 0.548 270 S N 2.120 117.785 115.700 -0.058 0.000 2.399 270 S HA -0.134 4.337 4.470 0.001 0.000 0.231 270 S C 1.926 176.466 174.600 -0.101 0.000 1.022 270 S CA 1.014 59.177 58.200 -0.062 0.000 0.983 270 S CB -0.925 62.250 63.200 -0.042 0.000 0.803 270 S HN 0.719 nan 8.310 nan 0.000 0.480 271 I N 1.486 121.977 120.570 -0.131 0.000 2.127 271 I HA -0.143 4.028 4.170 0.001 0.000 0.241 271 I C 2.466 178.442 176.117 -0.235 0.000 1.075 271 I CA 1.246 62.448 61.300 -0.163 0.000 1.334 271 I CB -0.546 37.346 38.000 -0.180 0.000 1.040 271 I HN 0.193 nan 8.210 nan 0.000 0.405 272 V N 0.074 119.793 119.914 -0.325 0.000 2.548 272 V HA -0.196 3.924 4.120 0.001 0.000 0.249 272 V C 2.456 178.187 176.094 -0.605 0.000 1.055 272 V CA 1.366 63.301 62.300 -0.608 0.000 1.065 272 V CB -0.640 30.724 31.823 -0.765 0.000 0.681 272 V HN 0.426 nan 8.190 nan 0.000 0.462 273 Q N -0.171 119.455 119.800 -0.290 0.000 2.079 273 Q HA -0.181 4.160 4.340 0.001 0.000 0.200 273 Q C 2.061 178.049 176.000 -0.019 0.000 0.974 273 Q CA 1.543 57.302 55.803 -0.072 0.000 0.840 273 Q CB -0.453 28.277 28.738 -0.013 0.000 0.898 273 Q HN 0.613 nan 8.270 nan 0.000 0.430 274 D N 0.604 120.964 120.400 -0.067 0.000 2.097 274 D HA -0.102 4.538 4.640 0.001 0.000 0.195 274 D C 1.788 178.073 176.300 -0.026 0.000 0.989 274 D CA 1.452 55.430 54.000 -0.037 0.000 0.827 274 D CB -0.182 40.584 40.800 -0.057 0.000 0.966 274 D HN 0.208 nan 8.370 nan 0.000 0.456 275 A N 0.915 123.682 122.820 -0.088 0.000 1.883 275 A HA -0.201 4.120 4.320 0.001 0.000 0.217 275 A C 2.097 179.740 177.584 0.098 0.000 1.186 275 A CA 1.300 53.302 52.037 -0.059 0.000 0.624 275 A CB -1.109 17.790 19.000 -0.169 0.000 0.822 275 A HN 0.257 nan 8.150 nan 0.000 0.444 276 W N 0.471 121.753 121.300 -0.029 0.000 2.363 276 W HA -0.056 4.604 4.660 0.000 0.000 0.296 276 W C 1.677 178.182 176.519 -0.023 0.000 1.212 276 W CA 1.047 58.377 57.345 -0.024 0.000 1.260 276 W CB -1.095 28.355 29.460 -0.016 0.000 1.131 276 W HN 0.395 nan 8.180 nan 0.000 0.530 277 D N -0.294 120.229 120.400 0.205 0.000 2.178 277 D HA -0.094 4.546 4.640 0.001 0.000 0.201 277 D C 2.043 178.383 176.300 0.066 0.000 0.980 277 D CA 1.723 55.786 54.000 0.105 0.000 0.842 277 D CB -0.645 40.195 40.800 0.066 0.000 0.948 277 D HN 0.030 nan 8.370 nan 0.000 0.472 278 A N -0.329 122.528 122.820 0.061 0.000 2.259 278 A HA 0.418 4.739 4.320 0.001 0.000 0.208 278 A C 1.667 179.274 177.584 0.038 0.000 1.201 278 A CA 0.828 52.884 52.037 0.031 0.000 0.824 278 A CB -0.484 18.521 19.000 0.008 0.000 0.838 278 A HN 0.215 nan 8.150 nan 0.000 0.485 279 G N -0.603 108.238 108.800 0.067 0.000 2.179 279 G HA2 -0.330 3.631 3.960 0.001 0.000 0.257 279 G HA3 -0.330 3.631 3.960 0.001 0.000 0.257 279 G C 0.163 175.099 174.900 0.060 0.000 1.010 279 G CA 0.550 45.682 45.100 0.053 0.000 0.736 279 G HN 0.910 nan 8.290 nan 0.000 0.513 280 Q N -0.053 119.802 119.800 0.092 0.000 2.304 280 Q HA 0.438 4.778 4.340 0.001 0.000 0.260 280 Q C 0.226 176.296 176.000 0.116 0.000 0.965 280 Q CA -0.390 55.453 55.803 0.066 0.000 0.898 280 Q CB 0.427 29.181 28.738 0.028 0.000 1.196 280 Q HN 0.331 nan 8.270 nan 0.000 0.402 281 E N 3.360 123.587 120.200 0.044 0.000 2.292 281 E HA 0.243 4.593 4.350 0.001 0.000 0.265 281 E C -1.595 175.026 176.600 0.036 0.000 1.093 281 E CA 0.050 56.470 56.400 0.033 0.000 0.922 281 E CB 0.292 29.974 29.700 -0.029 0.000 1.001 281 E HN 0.413 nan 8.360 nan 0.000 0.444 282 L N 4.369 125.699 121.223 0.178 0.000 2.661 282 L HA 0.325 4.665 4.340 0.001 0.000 0.263 282 L C -0.956 176.151 176.870 0.394 0.000 0.956 282 L CA -0.189 54.763 54.840 0.186 0.000 0.918 282 L CB 1.649 43.781 42.059 0.121 0.000 1.280 282 L HN 0.519 nan 8.230 nan 0.000 0.416 283 T N 1.518 116.217 114.554 0.241 0.000 2.907 283 T HA 0.845 5.195 4.350 0.001 0.000 0.284 283 T C -0.400 174.478 174.700 0.298 0.000 1.004 283 T CA -0.736 61.559 62.100 0.324 0.000 1.063 283 T CB 1.783 70.848 68.868 0.328 0.000 0.992 283 T HN 0.357 nan 8.240 nan 0.000 0.483 284 V N 3.130 123.232 119.914 0.314 0.000 2.531 284 V HA 0.628 4.749 4.120 0.001 0.000 0.301 284 V C -0.338 175.870 176.094 0.190 0.000 1.034 284 V CA -0.798 61.636 62.300 0.224 0.000 0.865 284 V CB 1.207 33.153 31.823 0.205 0.000 0.995 284 V HN 1.125 nan 8.190 nan 0.000 0.424 285 Q N 3.395 123.282 119.800 0.145 0.000 2.389 285 Q HA 0.790 5.130 4.340 0.001 0.000 0.277 285 Q C -0.443 175.591 176.000 0.058 0.000 1.082 285 Q CA -0.527 55.348 55.803 0.119 0.000 0.810 285 Q CB 2.415 31.238 28.738 0.140 0.000 1.374 285 Q HN 0.829 nan 8.270 nan 0.000 0.422 286 G N 1.111 109.945 108.800 0.057 0.000 2.389 286 G HA2 0.650 4.610 3.960 0.001 0.000 0.328 286 G HA3 0.650 4.610 3.960 0.001 0.000 0.328 286 G C -1.403 173.515 174.900 0.029 0.000 1.133 286 G CA -0.502 44.602 45.100 0.006 0.000 0.891 286 G HN 0.506 nan 8.290 nan 0.000 0.485 287 V N 0.700 120.590 119.914 -0.041 0.000 3.120 287 V HA 0.688 4.808 4.120 0.001 0.000 0.303 287 V C -0.698 175.378 176.094 -0.030 0.000 1.238 287 V CA -0.409 61.899 62.300 0.013 0.000 1.008 287 V CB 2.506 34.292 31.823 -0.062 0.000 1.064 287 V HN 0.921 nan 8.190 nan 0.000 0.434 288 V N 2.790 122.721 119.914 0.029 0.000 3.181 288 V HA 0.834 4.954 4.120 0.001 0.000 0.308 288 V C -1.235 174.910 176.094 0.085 0.000 1.214 288 V CA -0.944 61.306 62.300 -0.083 0.000 1.053 288 V CB 1.584 33.175 31.823 -0.386 0.000 1.069 288 V HN 1.256 nan 8.190 nan 0.000 0.441 289 Y N -1.096 119.091 120.300 -0.189 0.000 2.677 289 Y HA 0.886 5.436 4.550 0.001 0.000 0.334 289 Y C -0.341 175.590 175.900 0.051 0.000 1.196 289 Y CA -0.627 57.477 58.100 0.007 0.000 1.059 289 Y CB 1.420 39.943 38.460 0.105 0.000 1.315 289 Y HN 1.032 nan 8.280 nan 0.000 0.455 290 G N 0.754 109.695 108.800 0.235 0.000 2.415 290 G HA2 0.424 4.385 3.960 0.001 0.000 0.327 290 G HA3 0.424 4.385 3.960 0.001 0.000 0.327 290 G C -0.194 174.850 174.900 0.239 0.000 1.182 290 G CA -0.529 44.694 45.100 0.206 0.000 0.924 290 G HN 1.019 nan 8.290 nan 0.000 0.470 291 V N 2.957 122.975 119.914 0.173 0.000 2.867 291 V HA -0.044 4.076 4.120 0.001 0.000 0.260 291 V C 2.411 178.668 176.094 0.273 0.000 1.099 291 V CA 2.648 65.149 62.300 0.336 0.000 1.122 291 V CB -0.461 31.510 31.823 0.248 0.000 0.708 291 V HN 0.823 nan 8.190 nan 0.000 0.490 292 G N 0.222 109.116 108.800 0.157 0.000 2.509 292 G HA2 -0.190 3.770 3.960 0.001 0.000 0.218 292 G HA3 -0.190 3.770 3.960 0.001 0.000 0.218 292 G C 0.944 175.877 174.900 0.055 0.000 1.124 292 G CA 1.090 46.250 45.100 0.100 0.000 0.776 292 G HN 0.771 nan 8.290 nan 0.000 0.547 293 D N -3.321 117.037 120.400 -0.072 0.000 2.410 293 D HA 0.119 4.759 4.640 0.001 0.000 0.275 293 D C 1.524 177.280 176.300 -0.906 0.000 1.152 293 D CA 0.703 54.432 54.000 -0.451 0.000 0.825 293 D CB -0.872 39.817 40.800 -0.185 0.000 1.312 293 D HN 0.429 nan 8.370 nan 0.000 0.532 294 G N 1.343 109.993 108.800 -0.250 0.000 2.203 294 G HA2 -0.363 3.597 3.960 0.001 0.000 0.263 294 G HA3 -0.363 3.597 3.960 0.001 0.000 0.263 294 G C 0.076 175.053 174.900 0.129 0.000 1.012 294 G CA 0.634 45.794 45.100 0.100 0.000 0.749 294 G HN 0.618 nan 8.290 nan 0.000 0.512 295 K N 0.268 120.734 120.400 0.110 0.000 2.234 295 K HA 0.583 4.904 4.320 0.001 0.000 0.277 295 K C 0.783 177.534 176.600 0.251 0.000 1.038 295 K CA -0.875 55.503 56.287 0.152 0.000 0.888 295 K CB 0.282 32.835 32.500 0.089 0.000 1.091 295 K HN 0.198 nan 8.250 nan 0.000 0.467 296 L N 5.457 126.835 121.223 0.258 0.000 2.367 296 L HA 0.259 4.599 4.340 0.001 0.000 0.275 296 L C 0.409 177.542 176.870 0.439 0.000 1.129 296 L CA -0.441 54.587 54.840 0.312 0.000 0.839 296 L CB 0.472 42.636 42.059 0.175 0.000 1.133 296 L HN 0.510 nan 8.230 nan 0.000 0.453 297 R N 1.489 122.200 120.500 0.352 0.000 2.604 297 R HA 0.351 4.691 4.340 0.001 0.000 0.287 297 R C -0.892 175.570 176.300 0.271 0.000 0.970 297 R CA -1.030 55.209 56.100 0.232 0.000 0.946 297 R CB 1.307 31.708 30.300 0.168 0.000 1.127 297 R HN 0.424 nan 8.270 nan 0.000 0.473 298 D N 1.653 122.077 120.400 0.041 0.000 2.264 298 D HA 0.118 4.758 4.640 0.001 0.000 0.250 298 D C 0.416 176.755 176.300 0.065 0.000 1.113 298 D CA -0.321 53.728 54.000 0.083 0.000 0.871 298 D CB 0.993 41.643 40.800 -0.251 0.000 1.167 298 D HN 0.162 nan 8.370 nan 0.000 0.447 299 L N 2.264 123.547 121.223 0.099 0.000 2.731 299 L HA 0.396 4.737 4.340 0.001 0.000 0.240 299 L C 0.901 177.801 176.870 0.050 0.000 1.120 299 L CA 0.444 55.313 54.840 0.049 0.000 0.913 299 L CB -0.610 41.469 42.059 0.032 0.000 1.213 299 L HN 0.719 nan 8.230 nan 0.000 0.515 300 G N -0.118 108.729 108.800 0.079 0.000 2.465 300 G HA2 0.072 4.032 3.960 0.001 0.000 0.681 300 G HA3 0.072 4.032 3.960 0.001 0.000 0.681 300 G C -1.435 173.529 174.900 0.106 0.000 1.340 300 G CA -0.758 44.387 45.100 0.076 0.000 0.884 300 G HN -0.181 nan 8.290 nan 0.000 0.650 301 V N 0.657 120.634 119.914 0.106 0.000 2.656 301 V HA 0.811 4.931 4.120 0.001 0.000 0.307 301 V C 0.278 176.436 176.094 0.106 0.000 1.051 301 V CA -0.477 61.898 62.300 0.125 0.000 0.893 301 V CB 1.581 33.483 31.823 0.132 0.000 0.999 301 V HN 1.902 nan 8.190 nan 0.000 0.426 302 V N 5.308 125.306 119.914 0.139 0.000 2.495 302 V HA 0.564 4.684 4.120 0.001 0.000 0.298 302 V C 0.112 176.258 176.094 0.086 0.000 1.031 302 V CA 0.110 62.471 62.300 0.102 0.000 0.871 302 V CB 1.977 33.895 31.823 0.158 0.000 0.988 302 V HN 0.577 nan 8.190 nan 0.000 0.432 303 V N 4.529 124.381 119.914 -0.105 0.000 2.575 303 V HA 0.332 4.452 4.120 0.001 0.000 0.242 303 V C 0.746 176.411 176.094 -0.715 0.000 1.045 303 V CA 1.195 63.383 62.300 -0.187 0.000 1.065 303 V CB -0.255 31.485 31.823 -0.139 0.000 0.717 303 V HN 0.959 nan 8.190 nan 0.000 0.467 304 N N 0.165 118.234 118.700 -1.052 0.000 3.127 304 N HA 0.130 4.870 4.740 0.001 0.000 0.239 304 N C -1.787 173.169 175.510 -0.922 0.000 1.200 304 N CA 0.133 52.133 53.050 -1.751 0.000 0.924 304 N CB 1.782 39.648 38.487 -1.035 0.000 1.583 304 N HN 0.120 nan 8.380 nan 0.000 0.645 305 S N 1.098 116.339 115.700 -0.765 0.000 2.733 305 S HA 0.283 4.753 4.470 0.001 0.000 0.294 305 S C -0.415 174.255 174.600 0.115 0.000 1.149 305 S CA -0.558 57.549 58.200 -0.155 0.000 1.034 305 S CB 1.385 64.569 63.200 -0.026 0.000 1.015 305 S HN 0.509 nan 8.310 nan 0.000 0.486 306 S N 1.248 117.001 115.700 0.088 0.000 2.549 306 S HA 0.085 4.555 4.470 0.001 0.000 0.286 306 S C 0.418 175.101 174.600 0.138 0.000 1.314 306 S CA -0.030 58.251 58.200 0.136 0.000 1.062 306 S CB 0.503 63.744 63.200 0.069 0.000 0.865 306 S HN 0.700 nan 8.310 nan 0.000 0.498 307 D N 2.456 122.941 120.400 0.143 0.000 2.402 307 D HA 0.173 4.814 4.640 0.001 0.000 0.216 307 D C -0.207 176.165 176.300 0.119 0.000 1.128 307 D CA -0.290 53.790 54.000 0.133 0.000 0.833 307 D CB 0.036 40.899 40.800 0.105 0.000 0.971 307 D HN 0.683 nan 8.370 nan 0.000 0.503 308 D N -0.030 120.423 120.400 0.089 0.000 2.424 308 D HA 0.049 4.689 4.640 0.001 0.000 0.244 308 D C 1.331 177.672 176.300 0.068 0.000 1.134 308 D CA 0.233 54.268 54.000 0.058 0.000 0.881 308 D CB 0.548 41.350 40.800 0.003 0.000 1.191 308 D HN 0.320 nan 8.370 nan 0.000 0.445 309 I N 0.070 120.715 120.570 0.124 0.000 4.442 309 I HA 0.145 4.315 4.170 0.001 0.000 0.331 309 I C 1.243 177.508 176.117 0.246 0.000 1.364 309 I CA -0.361 61.104 61.300 0.276 0.000 1.207 309 I CB 0.249 38.571 38.000 0.537 0.000 1.298 309 I HN 0.257 nan 8.210 nan 0.000 0.463 310 S N 2.458 118.231 115.700 0.122 0.000 2.442 310 S HA -0.192 4.278 4.470 0.001 0.000 0.236 310 S C 1.903 176.521 174.600 0.031 0.000 1.007 310 S CA 1.326 59.611 58.200 0.142 0.000 0.965 310 S CB -0.663 62.580 63.200 0.071 0.000 0.773 310 S HN 0.745 nan 8.310 nan 0.000 0.504 311 K N 0.693 120.983 120.400 -0.183 0.000 2.280 311 K HA -0.015 4.305 4.320 0.001 0.000 0.202 311 K C 1.207 177.610 176.600 -0.328 0.000 1.047 311 K CA 1.175 57.282 56.287 -0.300 0.000 0.942 311 K CB -0.649 31.574 32.500 -0.462 0.000 0.739 311 K HN 0.512 nan 8.250 nan 0.000 0.457 312 F N -0.654 119.221 119.950 -0.126 0.000 2.743 312 F HA 0.124 4.651 4.527 0.001 0.000 0.297 312 F C 0.852 176.252 175.800 -0.667 0.000 1.131 312 F CA -0.032 57.726 58.000 -0.404 0.000 1.426 312 F CB 0.234 38.887 39.000 -0.578 0.000 1.116 312 F HN -0.063 nan 8.300 nan 0.000 0.583 313 Y N -1.453 118.935 120.300 0.146 0.000 2.499 313 Y HA 0.336 4.886 4.550 0.000 0.000 0.253 313 Y C 0.422 176.352 175.900 0.050 0.000 1.105 313 Y CA -0.603 57.554 58.100 0.095 0.000 1.240 313 Y CB 0.616 39.130 38.460 0.091 0.000 1.289 313 Y HN -0.343 nan 8.280 nan 0.000 0.534 314 R N 0.441 121.021 120.500 0.135 0.000 2.534 314 R HA 0.484 4.825 4.340 0.001 0.000 0.301 314 R C -0.563 175.758 176.300 0.034 0.000 0.961 314 R CA -0.432 55.718 56.100 0.083 0.000 0.871 314 R CB 1.058 31.399 30.300 0.070 0.000 1.170 314 R HN -0.111 nan 8.270 nan 0.000 0.446 315 T N 2.923 117.495 114.554 0.030 0.000 2.898 315 T HA 0.029 4.379 4.350 0.001 0.000 0.301 315 T C 1.149 175.853 174.700 0.006 0.000 1.049 315 T CA -0.465 61.643 62.100 0.013 0.000 1.095 315 T CB 0.855 69.733 68.868 0.016 0.000 0.976 315 T HN 0.349 nan 8.240 nan 0.000 0.539 316 K N 1.832 122.230 120.400 -0.003 0.000 2.173 316 K HA -0.151 4.169 4.320 0.001 0.000 0.207 316 K C 2.380 178.979 176.600 -0.001 0.000 1.046 316 K CA 1.867 58.150 56.287 -0.006 0.000 0.929 316 K CB -0.579 31.915 32.500 -0.010 0.000 0.720 316 K HN 0.661 nan 8.250 nan 0.000 0.453 317 S N -0.142 115.560 115.700 0.003 0.000 2.377 317 S HA -0.064 4.406 4.470 0.001 0.000 0.223 317 S C 1.424 176.028 174.600 0.008 0.000 1.030 317 S CA 1.050 59.253 58.200 0.004 0.000 0.970 317 S CB -0.264 62.939 63.200 0.006 0.000 0.830 317 S HN 0.237 nan 8.310 nan 0.000 0.473 318 D N 2.040 122.448 120.400 0.012 0.000 2.317 318 D HA 0.080 4.720 4.640 0.001 0.000 0.211 318 D C 0.935 177.245 176.300 0.017 0.000 0.966 318 D CA 0.448 54.459 54.000 0.017 0.000 0.876 318 D CB -0.284 40.531 40.800 0.025 0.000 0.927 318 D HN 0.464 nan 8.370 nan 0.000 0.519 319 S N -0.373 115.334 115.700 0.013 0.000 2.552 319 S HA 0.243 4.713 4.470 0.001 0.000 0.289 319 S C 1.320 175.924 174.600 0.008 0.000 1.304 319 S CA 0.781 58.987 58.200 0.010 0.000 1.063 319 S CB 0.516 63.717 63.200 0.001 0.000 0.848 319 S HN 0.443 nan 8.310 nan 0.000 0.499 320 G N 2.973 111.778 108.800 0.009 0.000 2.147 320 G HA2 -0.184 3.776 3.960 0.001 0.000 0.244 320 G HA3 -0.184 3.776 3.960 0.001 0.000 0.244 320 G C 0.884 175.788 174.900 0.007 0.000 1.005 320 G CA 0.541 45.644 45.100 0.006 0.000 0.713 320 G HN 1.416 nan 8.290 nan 0.000 0.515 321 A N -0.256 122.571 122.820 0.011 0.000 1.834 321 A HA 0.123 4.444 4.320 0.001 0.000 0.216 321 A C 2.421 180.010 177.584 0.009 0.000 1.203 321 A CA 2.387 54.430 52.037 0.011 0.000 0.621 321 A CB -0.478 18.531 19.000 0.015 0.000 0.841 321 A HN 1.355 nan 8.150 nan 0.000 0.446 322 L N -0.050 121.179 121.223 0.009 0.000 2.042 322 L HA -0.177 4.164 4.340 0.001 0.000 0.210 322 L C 2.268 179.141 176.870 0.005 0.000 1.076 322 L CA 2.394 57.238 54.840 0.007 0.000 0.749 322 L CB -0.503 41.559 42.059 0.006 0.000 0.893 322 L HN 0.405 nan 8.230 nan 0.000 0.432 323 K N -0.619 119.784 120.400 0.005 0.000 2.211 323 K HA 0.006 4.326 4.320 0.001 0.000 0.203 323 K C 1.591 178.192 176.600 0.002 0.000 1.050 323 K CA 1.043 57.332 56.287 0.003 0.000 0.945 323 K CB -0.281 32.221 32.500 0.002 0.000 0.732 323 K HN 0.429 nan 8.250 nan 0.000 0.451 324 A N 0.471 123.293 122.820 0.003 0.000 2.327 324 A HA 0.287 4.607 4.320 0.001 0.000 0.228 324 A C 1.286 178.872 177.584 0.003 0.000 1.275 324 A CA 0.587 52.626 52.037 0.003 0.000 0.875 324 A CB -0.460 18.542 19.000 0.003 0.000 0.925 324 A HN 0.408 nan 8.150 nan 0.000 0.493 325 G N -0.140 108.662 108.800 0.004 0.000 2.205 325 G HA2 -0.304 3.656 3.960 0.001 0.000 0.261 325 G HA3 -0.304 3.656 3.960 0.001 0.000 0.261 325 G C 0.246 175.149 174.900 0.005 0.000 0.980 325 G CA 0.314 45.416 45.100 0.004 0.000 0.632 325 G HN 0.764 nan 8.290 nan 0.000 0.533 326 N N 1.243 119.946 118.700 0.006 0.000 2.558 326 N HA 0.466 5.206 4.740 0.001 0.000 0.233 326 N C -0.855 174.660 175.510 0.008 0.000 1.038 326 N CA -2.054 51.000 53.050 0.007 0.000 0.934 326 N CB 1.484 39.976 38.487 0.007 0.000 1.175 326 N HN 0.168 nan 8.380 nan 0.000 0.512 327 P HA 0.087 nan 4.420 nan 0.000 0.255 327 P C -0.336 176.968 177.300 0.007 0.000 1.248 327 P CA 0.536 63.640 63.100 0.006 0.000 0.807 327 P CB 0.327 32.030 31.700 0.005 0.000 1.150 328 N N -0.001 118.704 118.700 0.008 0.000 2.280 328 N HA 0.176 4.917 4.740 0.001 0.000 0.192 328 N C 0.599 176.116 175.510 0.012 0.000 1.109 328 N CA -0.310 52.745 53.050 0.009 0.000 0.855 328 N CB 0.024 38.516 38.487 0.008 0.000 0.974 328 N HN 0.061 nan 8.380 nan 0.000 0.482 329 A N 2.673 125.502 122.820 0.014 0.000 2.540 329 A HA 0.142 4.462 4.320 0.001 0.000 0.239 329 A C -1.761 175.838 177.584 0.024 0.000 1.061 329 A CA -0.857 51.191 52.037 0.018 0.000 0.758 329 A CB -0.120 18.892 19.000 0.019 0.000 0.991 329 A HN 0.101 nan 8.150 nan 0.000 0.502 330 P HA 0.151 nan 4.420 nan 0.000 0.269 330 P C -0.846 176.486 177.300 0.053 0.000 1.215 330 P CA 0.001 63.122 63.100 0.035 0.000 0.780 330 P CB 0.612 32.332 31.700 0.033 0.000 0.898 331 L N 2.403 123.664 121.223 0.062 0.000 2.262 331 L HA 0.289 4.630 4.340 0.001 0.000 0.288 331 L C -0.173 176.774 176.870 0.128 0.000 1.035 331 L CA -0.900 54.003 54.840 0.105 0.000 0.820 331 L CB 1.448 43.555 42.059 0.080 0.000 1.204 331 L HN 0.116 nan 8.230 nan 0.000 0.424 332 V N 4.040 124.040 119.914 0.143 0.000 2.347 332 V HA 0.142 4.262 4.120 0.001 0.000 0.280 332 V C 0.354 176.520 176.094 0.120 0.000 1.021 332 V CA -0.554 61.811 62.300 0.108 0.000 0.847 332 V CB 1.522 33.384 31.823 0.065 0.000 0.990 332 V HN 0.717 nan 8.190 nan 0.000 0.444 333 Q N 3.560 123.425 119.800 0.109 0.000 2.613 333 Q HA 0.098 4.438 4.340 0.001 0.000 0.228 333 Q C 0.885 176.865 176.000 -0.033 0.000 1.318 333 Q CA -0.180 55.646 55.803 0.039 0.000 0.907 333 Q CB 0.645 29.428 28.738 0.075 0.000 1.593 333 Q HN 0.760 nan 8.270 nan 0.000 0.559 334 V N 2.307 122.179 119.914 -0.070 0.000 2.392 334 V HA -0.131 3.990 4.120 0.001 0.000 0.249 334 V C 1.242 177.321 176.094 -0.024 0.000 1.059 334 V CA 2.088 64.370 62.300 -0.031 0.000 1.051 334 V CB -0.116 31.696 31.823 -0.018 0.000 0.658 334 V HN 0.809 nan 8.190 nan 0.000 0.455 335 T N -2.851 111.664 114.554 -0.065 0.000 2.923 335 T HA 0.419 4.770 4.350 0.001 0.000 0.311 335 T C 0.190 174.792 174.700 -0.163 0.000 1.183 335 T CA -0.718 61.338 62.100 -0.072 0.000 1.020 335 T CB 2.125 70.989 68.868 -0.007 0.000 1.165 335 T HN -0.065 nan 8.240 nan 0.000 0.482 336 K N 2.737 123.064 120.400 -0.121 0.000 1.965 336 K HA 0.224 4.545 4.320 0.001 0.000 0.220 336 K C 1.577 178.088 176.600 -0.147 0.000 1.046 336 K CA 1.996 58.220 56.287 -0.104 0.000 0.974 336 K CB -0.692 31.770 32.500 -0.064 0.000 0.738 336 K HN 0.741 nan 8.250 nan 0.000 0.444 337 G N -0.161 108.534 108.800 -0.176 0.000 4.464 337 G HA2 0.406 4.367 3.960 0.001 0.000 0.297 337 G HA3 0.406 4.367 3.960 0.001 0.000 0.297 337 G C -0.006 174.685 174.900 -0.348 0.000 1.342 337 G CA -0.165 44.821 45.100 -0.190 0.000 1.335 337 G HN 0.376 nan 8.290 nan 0.000 0.609 338 G N 0.707 109.083 108.800 -0.706 0.000 2.442 338 G HA2 0.492 4.453 3.960 0.001 0.000 0.249 338 G HA3 0.492 4.453 3.960 0.001 0.000 0.249 338 G C -0.005 174.424 174.900 -0.784 0.000 1.263 338 G CA -0.365 43.923 45.100 -1.354 0.000 0.846 338 G HN 0.605 nan 8.290 nan 0.000 0.555 339 E N 0.341 120.331 120.200 -0.350 0.000 2.288 339 E HA 0.580 4.930 4.350 0.001 0.000 0.268 339 E C 0.027 176.797 176.600 0.284 0.000 0.885 339 E CA -0.870 55.546 56.400 0.026 0.000 0.767 339 E CB 1.635 31.349 29.700 0.023 0.000 1.220 339 E HN 0.480 nan 8.360 nan 0.000 0.427 340 S N 1.664 117.551 115.700 0.312 0.000 2.641 340 S HA 0.067 4.538 4.470 0.001 0.000 0.261 340 S C 0.864 175.578 174.600 0.191 0.000 1.257 340 S CA -0.377 57.995 58.200 0.287 0.000 0.983 340 S CB 0.802 64.141 63.200 0.231 0.000 0.990 340 S HN 0.710 nan 8.310 nan 0.000 0.572 341 E N -0.241 120.043 120.200 0.140 0.000 2.110 341 E HA -0.096 4.255 4.350 0.001 0.000 0.193 341 E C 1.842 178.505 176.600 0.106 0.000 0.988 341 E CA 0.800 57.258 56.400 0.096 0.000 0.804 341 E CB -0.275 29.456 29.700 0.051 0.000 0.745 341 E HN 0.524 nan 8.360 nan 0.000 0.458 342 L N 1.261 122.567 121.223 0.138 0.000 2.046 342 L HA -0.207 4.133 4.340 0.001 0.000 0.208 342 L C 1.780 178.768 176.870 0.196 0.000 1.077 342 L CA 1.349 56.288 54.840 0.166 0.000 0.747 342 L CB -0.255 41.908 42.059 0.173 0.000 0.896 342 L HN 0.143 nan 8.230 nan 0.000 0.432 343 D N -0.434 120.086 120.400 0.200 0.000 2.116 343 D HA -0.177 4.463 4.640 0.001 0.000 0.193 343 D C 2.276 178.650 176.300 0.124 0.000 0.998 343 D CA 1.639 55.744 54.000 0.176 0.000 0.836 343 D CB -0.020 40.868 40.800 0.146 0.000 0.951 343 D HN 0.255 nan 8.370 nan 0.000 0.449 344 S N 0.031 115.795 115.700 0.106 0.000 2.356 344 S HA -0.129 4.342 4.470 0.001 0.000 0.223 344 S C 2.148 176.791 174.600 0.072 0.000 1.032 344 S CA 1.413 59.659 58.200 0.077 0.000 1.005 344 S CB -0.466 62.774 63.200 0.068 0.000 0.867 344 S HN 0.298 nan 8.310 nan 0.000 0.449 345 T N 2.671 117.273 114.554 0.080 0.000 2.684 345 T HA -0.074 4.276 4.350 0.001 0.000 0.267 345 T C 1.829 176.580 174.700 0.085 0.000 1.036 345 T CA 1.250 63.393 62.100 0.071 0.000 1.148 345 T CB -0.288 68.624 68.868 0.073 0.000 0.863 345 T HN 0.225 nan 8.240 nan 0.000 0.436 346 M N 0.935 120.608 119.600 0.122 0.000 2.175 346 M HA 0.012 4.493 4.480 0.001 0.000 0.264 346 M C 2.260 178.604 176.300 0.073 0.000 1.063 346 M CA 1.171 56.544 55.300 0.122 0.000 1.119 346 M CB -1.147 31.567 32.600 0.189 0.000 1.377 346 M HN 0.385 nan 8.290 nan 0.000 0.415 347 E N 0.644 120.885 120.200 0.068 0.000 2.058 347 E HA -0.240 4.110 4.350 0.001 0.000 0.194 347 E C 2.136 178.758 176.600 0.037 0.000 0.997 347 E CA 1.454 57.885 56.400 0.053 0.000 0.801 347 E CB 0.054 29.786 29.700 0.053 0.000 0.746 347 E HN 0.424 nan 8.360 nan 0.000 0.450 348 K N 0.315 120.737 120.400 0.036 0.000 2.026 348 K HA -0.153 4.167 4.320 0.001 0.000 0.208 348 K C 2.286 178.892 176.600 0.011 0.000 1.048 348 K CA 1.328 57.629 56.287 0.022 0.000 0.929 348 K CB -0.117 32.397 32.500 0.023 0.000 0.713 348 K HN 0.193 nan 8.250 nan 0.000 0.439 349 L N 0.385 121.620 121.223 0.020 0.000 2.083 349 L HA -0.168 4.173 4.340 0.001 0.000 0.209 349 L C 2.421 179.279 176.870 -0.019 0.000 1.083 349 L CA 1.479 56.325 54.840 0.011 0.000 0.752 349 L CB -0.709 41.372 42.059 0.035 0.000 0.899 349 L HN 0.285 nan 8.230 nan 0.000 0.433 350 T N 0.086 114.626 114.554 -0.023 0.000 2.708 350 T HA -0.173 4.177 4.350 0.001 0.000 0.266 350 T C 2.063 176.680 174.700 -0.138 0.000 1.037 350 T CA 1.342 63.390 62.100 -0.086 0.000 1.146 350 T CB -0.259 68.580 68.868 -0.048 0.000 0.865 350 T HN 0.448 nan 8.240 nan 0.000 0.435 351 A N 1.683 124.460 122.820 -0.071 0.000 1.908 351 A HA -0.183 4.137 4.320 0.001 0.000 0.218 351 A C 2.185 179.727 177.584 -0.069 0.000 1.181 351 A CA 1.804 53.804 52.037 -0.062 0.000 0.627 351 A CB -0.574 18.418 19.000 -0.013 0.000 0.818 351 A HN 0.604 nan 8.150 nan 0.000 0.445 352 E N -0.499 119.670 120.200 -0.052 0.000 2.152 352 E HA -0.073 4.277 4.350 0.001 0.000 0.192 352 E C 1.984 178.548 176.600 -0.060 0.000 0.983 352 E CA 0.675 57.047 56.400 -0.046 0.000 0.818 352 E CB -0.164 29.518 29.700 -0.029 0.000 0.758 352 E HN 0.603 nan 8.360 nan 0.000 0.467 353 L N 0.872 122.046 121.223 -0.081 0.000 2.007 353 L HA -0.112 4.229 4.340 0.001 0.000 0.205 353 L C 2.272 179.073 176.870 -0.115 0.000 1.073 353 L CA 1.234 56.024 54.840 -0.084 0.000 0.744 353 L CB -0.417 41.586 42.059 -0.093 0.000 0.898 353 L HN 0.035 nan 8.230 nan 0.000 0.435 354 V N 1.493 121.285 119.914 -0.204 0.000 2.453 354 V HA -0.324 3.796 4.120 0.001 0.000 0.252 354 V C 2.693 178.716 176.094 -0.118 0.000 1.068 354 V CA 2.138 64.291 62.300 -0.245 0.000 1.070 354 V CB -0.896 30.606 31.823 -0.535 0.000 0.664 354 V HN 0.720 nan 8.190 nan 0.000 0.461 355 Q N -0.010 119.740 119.800 -0.084 0.000 2.488 355 Q HA -0.064 4.277 4.340 0.001 0.000 0.211 355 Q C 0.784 176.763 176.000 -0.034 0.000 0.967 355 Q CA 0.543 56.320 55.803 -0.043 0.000 0.926 355 Q CB -0.035 28.684 28.738 -0.032 0.000 0.992 355 Q HN 0.690 nan 8.270 nan 0.000 0.506 356 Q N 1.001 120.776 119.800 -0.041 0.000 2.204 356 Q HA 0.337 4.678 4.340 0.001 0.000 0.254 356 Q C -0.727 175.257 176.000 -0.026 0.000 0.981 356 Q CA -0.656 55.129 55.803 -0.029 0.000 0.897 356 Q CB 1.503 30.226 28.738 -0.026 0.000 1.273 356 Q HN -0.017 nan 8.270 nan 0.000 0.464 357 T N 3.168 117.708 114.554 -0.024 0.000 2.870 357 T HA 0.182 4.533 4.350 0.001 0.000 0.300 357 T C -2.348 172.331 174.700 -0.035 0.000 0.989 357 T CA -1.047 61.036 62.100 -0.029 0.000 1.139 357 T CB 0.284 69.132 68.868 -0.033 0.000 0.920 357 T HN 0.261 nan 8.240 nan 0.000 0.537 358 P HA 0.206 nan 4.420 nan 0.000 0.263 358 P C 1.018 178.239 177.300 -0.133 0.000 1.195 358 P CA 0.789 63.860 63.100 -0.048 0.000 0.762 358 P CB 0.303 31.980 31.700 -0.039 0.000 0.799 359 G N 2.981 111.664 108.800 -0.195 0.000 2.176 359 G HA2 -0.285 3.675 3.960 0.001 0.000 0.253 359 G HA3 -0.285 3.675 3.960 0.001 0.000 0.253 359 G C 0.396 175.148 174.900 -0.248 0.000 0.979 359 G CA -0.042 44.738 45.100 -0.534 0.000 0.641 359 G HN 0.557 nan 8.290 nan 0.000 0.530 360 K N 0.383 120.735 120.400 -0.081 0.000 3.123 360 K HA 0.444 4.765 4.320 0.001 0.000 0.209 360 K C 0.725 177.332 176.600 0.011 0.000 1.132 360 K CA -0.493 55.777 56.287 -0.029 0.000 0.992 360 K CB 0.563 33.037 32.500 -0.043 0.000 0.773 360 K HN 0.308 nan 8.250 nan 0.000 0.458 361 L N 1.260 122.518 121.223 0.058 0.000 2.473 361 L HA 0.177 4.518 4.340 0.001 0.000 0.268 361 L C 0.660 177.542 176.870 0.019 0.000 1.215 361 L CA -0.005 54.860 54.840 0.043 0.000 0.823 361 L CB 0.264 42.370 42.059 0.078 0.000 1.099 361 L HN 0.110 nan 8.230 nan 0.000 0.483 362 K N 1.172 121.557 120.400 -0.026 0.000 2.126 362 K HA 0.152 4.473 4.320 0.001 0.000 0.257 362 K C -0.136 176.382 176.600 -0.136 0.000 1.007 362 K CA -0.668 55.580 56.287 -0.065 0.000 0.928 362 K CB 0.812 33.261 32.500 -0.086 0.000 1.013 362 K HN 0.496 nan 8.250 nan 0.000 0.473 363 E N 0.806 120.897 120.200 -0.183 0.000 2.318 363 E HA 0.244 4.594 4.350 0.001 0.000 0.265 363 E C 0.079 176.253 176.600 -0.711 0.000 1.069 363 E CA -0.666 55.487 56.400 -0.411 0.000 0.893 363 E CB 0.942 30.562 29.700 -0.134 0.000 1.076 363 E HN 0.645 nan 8.360 nan 0.000 0.414 364 G N -0.271 107.534 108.800 -1.658 0.000 2.543 364 G HA2 0.433 4.394 3.960 0.001 0.000 0.290 364 G HA3 0.433 4.394 3.960 0.001 0.000 0.290 364 G C 0.281 174.897 174.900 -0.474 0.000 1.310 364 G CA -0.185 44.320 45.100 -0.992 0.000 1.025 364 G HN 0.580 nan 8.290 nan 0.000 0.502 365 A N -0.815 121.937 122.820 -0.113 0.000 2.348 365 A HA 0.231 4.551 4.320 0.001 0.000 0.224 365 A C 1.208 178.894 177.584 0.170 0.000 1.227 365 A CA -0.180 51.881 52.037 0.040 0.000 0.885 365 A CB -0.443 18.566 19.000 0.015 0.000 0.933 365 A HN 0.597 nan 8.150 nan 0.000 0.506 366 N N 1.160 120.045 118.700 0.308 0.000 2.381 366 N HA -0.065 4.675 4.740 0.001 0.000 0.241 366 N C 1.405 177.051 175.510 0.227 0.000 1.279 366 N CA 0.469 53.681 53.050 0.270 0.000 0.896 366 N CB 0.455 39.118 38.487 0.294 0.000 1.118 366 N HN 0.518 nan 8.380 nan 0.000 0.438 367 R N 1.466 122.029 120.500 0.104 0.000 2.170 367 R HA -0.111 4.229 4.340 0.001 0.000 0.242 367 R C 1.581 177.881 176.300 -0.000 0.000 1.145 367 R CA 1.324 57.461 56.100 0.061 0.000 0.984 367 R CB -0.719 29.608 30.300 0.044 0.000 0.869 367 R HN 0.356 nan 8.270 nan 0.000 0.455 368 V N 1.163 121.014 119.914 -0.105 0.000 2.324 368 V HA -0.252 3.868 4.120 0.001 0.000 0.250 368 V C 2.006 177.887 176.094 -0.355 0.000 1.060 368 V CA 2.060 64.163 62.300 -0.327 0.000 1.042 368 V CB -0.531 30.958 31.823 -0.557 0.000 0.650 368 V HN 0.296 nan 8.190 nan 0.000 0.450 369 F N -1.352 118.613 119.950 0.024 0.000 2.234 369 F HA -0.034 4.493 4.527 0.001 0.000 0.296 369 F C 2.308 178.136 175.800 0.046 0.000 1.089 369 F CA 1.343 59.366 58.000 0.039 0.000 1.343 369 F CB -0.682 38.341 39.000 0.037 0.000 1.040 369 F HN -0.013 nan 8.300 nan 0.000 0.498 370 V N 0.725 120.758 119.914 0.198 0.000 2.427 370 V HA -0.233 3.887 4.120 0.001 0.000 0.248 370 V C 2.023 178.177 176.094 0.100 0.000 1.051 370 V CA 2.122 64.502 62.300 0.133 0.000 1.048 370 V CB -0.410 31.477 31.823 0.106 0.000 0.666 370 V HN 0.267 nan 8.190 nan 0.000 0.456 371 N N 1.185 119.923 118.700 0.063 0.000 2.142 371 N HA -0.164 4.576 4.740 0.001 0.000 0.186 371 N C 1.721 177.291 175.510 0.099 0.000 1.023 371 N CA 1.888 54.969 53.050 0.050 0.000 0.852 371 N CB -0.919 37.559 38.487 -0.016 0.000 0.998 371 N HN 0.707 nan 8.380 nan 0.000 0.424 372 N N 1.063 119.809 118.700 0.076 0.000 2.149 372 N HA -0.198 4.543 4.740 0.001 0.000 0.188 372 N C 1.534 177.220 175.510 0.294 0.000 1.019 372 N CA 1.221 54.374 53.050 0.173 0.000 0.857 372 N CB -0.084 38.459 38.487 0.093 0.000 0.997 372 N HN 0.124 nan 8.380 nan 0.000 0.426 373 E N 0.404 120.723 120.200 0.197 0.000 2.077 373 E HA -0.090 4.261 4.350 0.001 0.000 0.193 373 E C 1.479 178.157 176.600 0.129 0.000 0.989 373 E CA 1.551 58.043 56.400 0.154 0.000 0.800 373 E CB -0.434 29.338 29.700 0.121 0.000 0.746 373 E HN 0.561 nan 8.360 nan 0.000 0.452 374 N N -0.820 117.958 118.700 0.130 0.000 2.084 374 N HA -0.178 4.562 4.740 0.001 0.000 0.190 374 N C 1.487 177.063 175.510 0.109 0.000 1.030 374 N CA 1.102 54.210 53.050 0.096 0.000 0.849 374 N CB -0.407 38.134 38.487 0.089 0.000 1.012 374 N HN 0.260 nan 8.380 nan 0.000 0.423 375 W N 2.600 123.905 121.300 0.009 0.000 2.317 375 W HA -0.151 4.509 4.660 0.000 0.000 0.318 375 W C 2.137 178.689 176.519 0.055 0.000 1.227 375 W CA 1.372 58.721 57.345 0.006 0.000 1.269 375 W CB -0.284 29.178 29.460 0.003 0.000 1.155 375 W HN -0.099 nan 8.180 nan 0.000 0.484 376 R N -0.400 120.020 120.500 -0.134 0.000 2.094 376 R HA -0.234 4.106 4.340 0.001 0.000 0.239 376 R C 2.316 178.518 176.300 -0.162 0.000 1.137 376 R CA 1.895 57.853 56.100 -0.236 0.000 0.943 376 R CB -0.887 29.394 30.300 -0.031 0.000 0.850 376 R HN 0.242 nan 8.270 nan 0.000 0.433 377 Q N 0.853 120.602 119.800 -0.085 0.000 2.096 377 Q HA -0.168 4.172 4.340 0.001 0.000 0.204 377 Q C 1.955 177.878 176.000 -0.129 0.000 0.982 377 Q CA 1.500 57.263 55.803 -0.067 0.000 0.850 377 Q CB -0.215 28.507 28.738 -0.027 0.000 0.901 377 Q HN 0.265 nan 8.270 nan 0.000 0.422 378 K N -0.405 119.890 120.400 -0.175 0.000 2.063 378 K HA -0.089 4.231 4.320 0.001 0.000 0.208 378 K C 2.080 178.477 176.600 -0.338 0.000 1.048 378 K CA 1.187 57.351 56.287 -0.205 0.000 0.928 378 K CB 0.036 32.433 32.500 -0.172 0.000 0.713 378 K HN 0.086 nan 8.250 nan 0.000 0.442 379 M N 0.127 119.389 119.600 -0.564 0.000 2.099 379 M HA -0.122 4.358 4.480 0.001 0.000 0.262 379 M C 1.926 177.917 176.300 -0.514 0.000 1.067 379 M CA 1.268 56.039 55.300 -0.880 0.000 1.124 379 M CB -0.786 30.903 32.600 -1.519 0.000 1.353 379 M HN 0.116 nan 8.290 nan 0.000 0.410 380 L N 0.259 121.343 121.223 -0.232 0.000 2.131 380 L HA -0.171 4.169 4.340 0.001 0.000 0.210 380 L C 2.401 179.227 176.870 -0.073 0.000 1.092 380 L CA 1.514 56.324 54.840 -0.051 0.000 0.759 380 L CB -1.369 40.715 42.059 0.041 0.000 0.903 380 L HN 0.258 nan 8.230 nan 0.000 0.435 381 K N 0.326 120.659 120.400 -0.110 0.000 1.985 381 K HA -0.178 4.142 4.320 0.001 0.000 0.210 381 K C 1.902 178.450 176.600 -0.087 0.000 1.047 381 K CA 1.551 57.788 56.287 -0.083 0.000 0.932 381 K CB -0.378 32.070 32.500 -0.086 0.000 0.716 381 K HN 0.600 nan 8.250 nan 0.000 0.439 382 Q N 0.295 120.014 119.800 -0.135 0.000 2.436 382 Q HA -0.033 4.308 4.340 0.001 0.000 0.209 382 Q C -0.335 175.612 176.000 -0.088 0.000 0.965 382 Q CA 0.791 56.524 55.803 -0.117 0.000 0.910 382 Q CB 0.224 28.872 28.738 -0.151 0.000 0.980 382 Q HN -0.027 nan 8.270 nan 0.000 0.491 383 D N -0.623 119.726 120.400 -0.086 0.000 2.300 383 D HA 0.176 4.817 4.640 0.001 0.000 0.218 383 D C -2.513 173.808 176.300 0.035 0.000 1.326 383 D CA -1.697 52.299 54.000 -0.006 0.000 0.942 383 D CB 1.713 42.544 40.800 0.051 0.000 1.495 383 D HN -0.275 nan 8.370 nan 0.000 0.545 384 P HA -0.023 nan 4.420 nan 0.000 0.225 384 P C 0.871 178.228 177.300 0.096 0.000 1.148 384 P CA 0.947 64.084 63.100 0.062 0.000 0.779 384 P CB 0.415 32.140 31.700 0.042 0.000 0.780 385 Q N -2.791 117.062 119.800 0.088 0.000 2.247 385 Q HA 0.122 4.462 4.340 0.001 0.000 0.211 385 Q C 1.293 177.326 176.000 0.055 0.000 0.861 385 Q CA -0.365 55.486 55.803 0.080 0.000 0.949 385 Q CB -0.298 28.477 28.738 0.062 0.000 1.115 385 Q HN 0.184 nan 8.270 nan 0.000 0.507 386 F N 0.375 120.259 119.950 -0.110 0.000 2.063 386 F HA -0.366 4.162 4.527 0.001 0.000 0.297 386 F C 1.189 176.793 175.800 -0.327 0.000 1.099 386 F CA 1.859 59.692 58.000 -0.278 0.000 1.220 386 F CB -0.047 38.660 39.000 -0.489 0.000 0.972 386 F HN 0.081 nan 8.300 nan 0.000 0.487 387 F N 0.309 120.173 119.950 -0.143 0.000 2.293 387 F HA -0.083 4.444 4.527 0.000 0.000 0.297 387 F C 2.862 178.550 175.800 -0.188 0.000 1.089 387 F CA 1.099 58.977 58.000 -0.203 0.000 1.377 387 F CB -1.158 37.837 39.000 -0.009 0.000 1.051 387 F HN 0.099 nan 8.300 nan 0.000 0.511 388 S N -0.046 115.657 115.700 0.005 0.000 2.383 388 S HA -0.198 4.272 4.470 0.001 0.000 0.227 388 S C 1.677 176.087 174.600 -0.316 0.000 1.026 388 S CA 1.525 59.639 58.200 -0.144 0.000 0.981 388 S CB -1.104 62.069 63.200 -0.044 0.000 0.818 388 S HN 0.484 nan 8.310 nan 0.000 0.472 389 N N 1.254 119.863 118.700 -0.152 0.000 2.084 389 N HA 0.004 4.745 4.740 0.001 0.000 0.190 389 N C 1.675 177.104 175.510 -0.136 0.000 1.030 389 N CA 1.126 54.132 53.050 -0.073 0.000 0.849 389 N CB -0.343 38.107 38.487 -0.062 0.000 1.012 389 N HN 0.178 nan 8.380 nan 0.000 0.423 390 L N 1.248 122.322 121.223 -0.249 0.000 2.081 390 L HA -0.137 4.204 4.340 0.001 0.000 0.212 390 L C 1.946 178.766 176.870 -0.084 0.000 1.080 390 L CA 1.355 56.069 54.840 -0.210 0.000 0.754 390 L CB -0.517 41.359 42.059 -0.304 0.000 0.893 390 L HN 0.131 nan 8.230 nan 0.000 0.433 391 A N -2.763 119.978 122.820 -0.133 0.000 2.235 391 A HA -0.076 4.244 4.320 0.001 0.000 0.208 391 A C 1.543 179.061 177.584 -0.111 0.000 1.172 391 A CA 0.672 52.638 52.037 -0.118 0.000 0.786 391 A CB -0.701 18.204 19.000 -0.159 0.000 0.804 391 A HN 0.584 nan 8.150 nan 0.000 0.479 392 H N -1.224 117.858 119.070 0.021 0.000 2.855 392 H HA 0.092 4.648 4.556 0.001 0.000 0.259 392 H C 0.834 176.173 175.328 0.018 0.000 0.972 392 H CA 0.694 56.754 56.048 0.019 0.000 1.213 392 H CB -0.482 29.286 29.762 0.010 0.000 1.451 392 H HN 0.329 nan 8.280 nan 0.000 0.484 393 T N 3.018 117.645 114.554 0.121 0.000 2.830 393 T HA -0.072 4.279 4.350 0.001 0.000 0.282 393 T C 0.637 175.382 174.700 0.076 0.000 1.024 393 T CA -0.109 62.036 62.100 0.075 0.000 1.144 393 T CB 0.258 69.150 68.868 0.041 0.000 1.035 393 T HN 0.473 nan 8.240 nan 0.000 0.507 394 Q N 3.755 123.590 119.800 0.058 0.000 2.454 394 Q HA 0.196 4.536 4.340 0.001 0.000 0.247 394 Q C 0.120 176.153 176.000 0.054 0.000 1.028 394 Q CA -0.637 55.196 55.803 0.050 0.000 0.910 394 Q CB 0.051 28.808 28.738 0.033 0.000 1.276 394 Q HN 0.561 nan 8.270 nan 0.000 0.489 395 T N 3.757 118.340 114.554 0.048 0.000 2.923 395 T HA 0.061 4.411 4.350 0.001 0.000 0.304 395 T C -2.051 172.675 174.700 0.043 0.000 1.044 395 T CA -0.549 61.578 62.100 0.046 0.000 1.141 395 T CB -0.102 68.774 68.868 0.014 0.000 1.023 395 T HN 0.543 nan 8.240 nan 0.000 0.533 396 P HA 0.146 nan 4.420 nan 0.000 0.268 396 P C -0.095 177.228 177.300 0.038 0.000 1.204 396 P CA -0.077 63.069 63.100 0.076 0.000 0.768 396 P CB 0.763 32.558 31.700 0.159 0.000 0.842 397 E N 1.566 121.793 120.200 0.044 0.000 2.476 397 E HA 0.176 4.526 4.350 0.001 0.000 0.196 397 E C 0.375 177.006 176.600 0.051 0.000 1.029 397 E CA 0.048 56.466 56.400 0.030 0.000 0.896 397 E CB 0.016 29.732 29.700 0.026 0.000 1.012 397 E HN 0.516 nan 8.360 nan 0.000 0.475 398 I N -1.382 119.243 120.570 0.090 0.000 2.722 398 I HA 0.400 4.570 4.170 0.001 0.000 0.295 398 I C -1.057 175.186 176.117 0.211 0.000 1.161 398 I CA -1.164 60.216 61.300 0.133 0.000 1.032 398 I CB 1.942 40.038 38.000 0.161 0.000 1.244 398 I HN -0.142 nan 8.210 nan 0.000 0.421 399 L N 5.353 126.704 121.223 0.213 0.000 2.296 399 L HA 0.493 4.833 4.340 0.001 0.000 0.286 399 L C -1.473 175.577 176.870 0.299 0.000 1.023 399 L CA -0.363 54.658 54.840 0.302 0.000 0.812 399 L CB 1.960 44.163 42.059 0.241 0.000 1.223 399 L HN 0.770 nan 8.230 nan 0.000 0.421 400 W N 7.795 129.163 121.300 0.114 0.000 2.471 400 W HA 0.463 5.123 4.660 0.000 0.000 0.318 400 W C -1.539 175.026 176.519 0.077 0.000 1.034 400 W CA -0.771 56.611 57.345 0.061 0.000 1.224 400 W CB 1.607 31.073 29.460 0.009 0.000 1.335 400 W HN 0.344 nan 8.180 nan 0.000 0.452 401 I N 6.760 127.341 120.570 0.018 0.000 2.359 401 I HA 0.414 4.585 4.170 0.001 0.000 0.284 401 I C 0.690 176.794 176.117 -0.021 0.000 1.018 401 I CA -0.184 61.166 61.300 0.085 0.000 1.173 401 I CB 0.897 38.948 38.000 0.085 0.000 1.326 401 I HN 0.406 nan 8.210 nan 0.000 0.462 402 G N 4.157 113.039 108.800 0.137 0.000 3.042 402 G HA2 0.467 4.427 3.960 0.001 0.000 0.278 402 G HA3 0.467 4.427 3.960 0.001 0.000 0.278 402 G C -1.417 173.503 174.900 0.033 0.000 1.371 402 G CA -0.491 44.700 45.100 0.152 0.000 1.009 402 G HN 0.563 nan 8.290 nan 0.000 0.523 403 C N 0.001 119.323 119.300 0.036 0.000 2.405 403 C HA 0.608 5.068 4.460 0.001 0.000 0.365 403 C C 2.116 177.013 174.990 -0.154 0.000 1.233 403 C CA 0.247 59.250 59.018 -0.026 0.000 2.230 403 C CB 0.543 28.354 27.740 0.117 0.000 2.443 403 C HN 0.983 nan 8.230 nan 0.000 0.556 404 A N 3.005 125.654 122.820 -0.284 0.000 2.131 404 A HA -0.113 4.207 4.320 0.001 0.000 0.220 404 A C 1.801 178.956 177.584 -0.715 0.000 1.158 404 A CA 1.952 53.608 52.037 -0.635 0.000 0.665 404 A CB -0.425 17.964 19.000 -1.019 0.000 0.795 404 A HN 0.966 nan 8.150 nan 0.000 0.460 405 D N 0.729 120.989 120.400 -0.233 0.000 2.104 405 D HA -0.108 4.532 4.640 0.001 0.000 0.194 405 D C 0.967 177.231 176.300 -0.061 0.000 0.994 405 D CA 1.676 55.728 54.000 0.086 0.000 0.830 405 D CB -0.570 40.343 40.800 0.188 0.000 0.959 405 D HN 0.552 nan 8.370 nan 0.000 0.452 406 S N 0.118 115.694 115.700 -0.206 0.000 3.255 406 S HA -0.292 4.178 4.470 0.001 0.000 0.358 406 S C 0.733 175.297 174.600 -0.061 0.000 0.915 406 S CA 0.568 58.684 58.200 -0.141 0.000 1.335 406 S CB -1.685 61.428 63.200 -0.145 0.000 0.938 406 S HN 0.392 nan 8.310 nan 0.000 0.550 407 R N 0.256 120.750 120.500 -0.010 0.000 2.313 407 R HA 0.294 4.634 4.340 0.001 0.000 0.199 407 R C -0.182 176.173 176.300 0.091 0.000 0.958 407 R CA 0.683 56.824 56.100 0.069 0.000 1.047 407 R CB 0.229 30.607 30.300 0.130 0.000 0.955 407 R HN 0.560 nan 8.270 nan 0.000 0.481 408 V N 1.192 121.140 119.914 0.057 0.000 2.777 408 V HA 0.320 4.440 4.120 0.001 0.000 0.306 408 V C -2.492 173.491 176.094 -0.186 0.000 1.112 408 V CA -2.160 60.126 62.300 -0.023 0.000 0.917 408 V CB 1.977 33.782 31.823 -0.029 0.000 1.018 408 V HN 0.025 nan 8.190 nan 0.000 0.426 409 P HA 0.216 nan 4.420 nan 0.000 0.268 409 P C 0.792 177.774 177.300 -0.530 0.000 1.205 409 P CA 0.233 63.135 63.100 -0.331 0.000 0.771 409 P CB 1.052 32.590 31.700 -0.269 0.000 0.858 410 A N 4.460 126.862 122.820 -0.698 0.000 1.873 410 A HA -0.265 4.055 4.320 0.001 0.000 0.218 410 A C 1.968 178.989 177.584 -0.938 0.000 1.193 410 A CA 2.169 53.464 52.037 -1.237 0.000 0.629 410 A CB -1.412 16.700 19.000 -1.480 0.000 0.826 410 A HN 0.759 nan 8.150 nan 0.000 0.447 411 N N -0.311 118.042 118.700 -0.578 0.000 2.149 411 N HA -0.256 4.484 4.740 0.001 0.000 0.188 411 N C 1.721 176.964 175.510 -0.445 0.000 1.019 411 N CA 1.868 54.677 53.050 -0.402 0.000 0.857 411 N CB -0.567 37.773 38.487 -0.245 0.000 0.997 411 N HN 0.724 nan 8.380 nan 0.000 0.426 412 Q N 0.511 120.005 119.800 -0.509 0.000 2.016 412 Q HA 0.044 4.384 4.340 0.001 0.000 0.200 412 Q C 2.332 177.600 176.000 -1.220 0.000 0.978 412 Q CA 1.132 56.546 55.803 -0.648 0.000 0.833 412 Q CB -0.074 28.391 28.738 -0.455 0.000 0.895 412 Q HN 0.375 nan 8.270 nan 0.000 0.427 413 I N 1.052 120.921 120.570 -1.170 0.000 2.423 413 I HA -0.219 3.951 4.170 0.001 0.000 0.254 413 I C 1.615 177.285 176.117 -0.745 0.000 1.151 413 I CA 1.026 61.562 61.300 -1.272 0.000 1.421 413 I CB 0.193 37.688 38.000 -0.842 0.000 1.079 413 I HN 0.253 nan 8.210 nan 0.000 0.431 414 I N -2.574 117.664 120.570 -0.552 0.000 3.914 414 I HA 0.311 4.482 4.170 0.001 0.000 0.333 414 I C 0.424 176.419 176.117 -0.203 0.000 1.449 414 I CA -0.290 60.850 61.300 -0.267 0.000 1.135 414 I CB -0.379 37.533 38.000 -0.147 0.000 1.073 414 I HN 0.124 nan 8.210 nan 0.000 0.401 415 N N 2.052 120.578 118.700 -0.290 0.000 2.738 415 N HA -0.146 4.594 4.740 0.001 0.000 0.249 415 N C -1.071 174.383 175.510 -0.093 0.000 1.047 415 N CA 0.741 53.712 53.050 -0.132 0.000 0.707 415 N CB -1.023 37.478 38.487 0.024 0.000 0.937 415 N HN 0.599 nan 8.380 nan 0.000 0.545 416 L N -0.526 120.613 121.223 -0.140 0.000 2.354 416 L HA 0.639 4.980 4.340 0.001 0.000 0.264 416 L C -2.001 174.819 176.870 -0.084 0.000 1.008 416 L CA -2.107 52.680 54.840 -0.089 0.000 0.819 416 L CB 1.948 43.954 42.059 -0.089 0.000 1.339 416 L HN -0.102 nan 8.230 nan 0.000 0.420 417 P HA 0.022 nan 4.420 nan 0.000 0.266 417 P C -0.682 176.590 177.300 -0.046 0.000 1.195 417 P CA -0.219 62.861 63.100 -0.034 0.000 0.768 417 P CB 0.583 32.272 31.700 -0.018 0.000 0.838 418 A N 3.238 126.034 122.820 -0.040 0.000 2.553 418 A HA 0.384 4.704 4.320 0.001 0.000 0.258 418 A C 1.452 179.023 177.584 -0.021 0.000 1.069 418 A CA 0.926 52.939 52.037 -0.040 0.000 0.767 418 A CB -1.611 17.383 19.000 -0.010 0.000 0.997 418 A HN 0.875 nan 8.150 nan 0.000 0.512 419 G N 1.977 110.767 108.800 -0.017 0.000 2.163 419 G HA2 -0.169 3.791 3.960 0.001 0.000 0.213 419 G HA3 -0.169 3.791 3.960 0.001 0.000 0.213 419 G C 0.289 175.217 174.900 0.046 0.000 0.991 419 G CA 0.393 45.508 45.100 0.026 0.000 0.653 419 G HN 0.740 nan 8.290 nan 0.000 0.518 420 E N -0.575 119.637 120.200 0.020 0.000 2.481 420 E HA 0.356 4.706 4.350 0.001 0.000 0.198 420 E C 0.488 177.122 176.600 0.056 0.000 1.027 420 E CA 0.600 57.022 56.400 0.036 0.000 0.900 420 E CB 1.392 31.100 29.700 0.012 0.000 0.993 420 E HN 0.746 nan 8.360 nan 0.000 0.482 421 V N -0.287 119.661 119.914 0.056 0.000 2.577 421 V HA 0.437 4.557 4.120 0.001 0.000 0.303 421 V C -1.247 174.949 176.094 0.170 0.000 1.042 421 V CA -0.969 61.392 62.300 0.102 0.000 0.872 421 V CB 1.249 33.085 31.823 0.023 0.000 0.998 421 V HN -0.039 nan 8.190 nan 0.000 0.423 422 F N 6.092 126.087 119.950 0.075 0.000 2.438 422 F HA 0.724 5.252 4.527 0.001 0.000 0.356 422 F C -0.040 175.833 175.800 0.122 0.000 1.099 422 F CA -0.035 58.020 58.000 0.091 0.000 1.185 422 F CB 1.442 40.513 39.000 0.118 0.000 1.115 422 F HN 0.500 nan 8.300 nan 0.000 0.526 423 V N 5.505 125.320 119.914 -0.166 0.000 2.604 423 V HA 0.302 4.422 4.120 0.001 0.000 0.305 423 V C -1.185 174.883 176.094 -0.044 0.000 1.043 423 V CA -0.823 61.462 62.300 -0.025 0.000 0.888 423 V CB 1.676 33.463 31.823 -0.060 0.000 0.995 423 V HN 0.707 nan 8.190 nan 0.000 0.429 424 H N 4.364 123.433 119.070 -0.002 0.000 2.609 424 H HA 0.712 5.269 4.556 0.001 0.000 0.344 424 H C -0.656 174.703 175.328 0.053 0.000 1.040 424 H CA -0.763 55.277 56.048 -0.015 0.000 1.216 424 H CB 1.245 31.039 29.762 0.054 0.000 1.529 424 H HN 0.608 nan 8.280 nan 0.000 0.519 425 R N 3.866 124.181 120.500 -0.308 0.000 2.575 425 R HA 0.356 4.696 4.340 0.001 0.000 0.293 425 R C -0.912 175.267 176.300 -0.201 0.000 0.983 425 R CA -1.027 54.931 56.100 -0.237 0.000 0.887 425 R CB 1.543 31.770 30.300 -0.122 0.000 1.184 425 R HN 0.886 nan 8.270 nan 0.000 0.445 426 N N 1.078 119.665 118.700 -0.188 0.000 2.972 426 N HA 0.298 5.038 4.740 0.001 0.000 0.262 426 N C -0.877 174.578 175.510 -0.092 0.000 1.478 426 N CA -0.897 52.088 53.050 -0.108 0.000 0.841 426 N CB 0.643 39.138 38.487 0.013 0.000 1.512 426 N HN 0.209 nan 8.380 nan 0.000 0.548 427 I N 0.785 121.309 120.570 -0.077 0.000 2.505 427 I HA 0.283 4.454 4.170 0.001 0.000 0.287 427 I C 0.981 177.196 176.117 0.164 0.000 1.104 427 I CA 0.596 61.877 61.300 -0.032 0.000 1.387 427 I CB -0.613 37.307 38.000 -0.134 0.000 1.404 427 I HN 0.928 nan 8.210 nan 0.000 0.528 428 A N 6.354 129.189 122.820 0.025 0.000 2.996 428 A HA -0.229 4.091 4.320 0.001 0.000 0.257 428 A C 0.942 178.521 177.584 -0.009 0.000 1.394 428 A CA 0.827 52.868 52.037 0.008 0.000 0.820 428 A CB -2.380 16.611 19.000 -0.015 0.000 1.054 428 A HN 1.069 nan 8.150 nan 0.000 0.619 429 N N -1.583 117.118 118.700 0.001 0.000 2.698 429 N HA -0.245 4.496 4.740 0.001 0.000 0.258 429 N C -0.261 175.180 175.510 -0.115 0.000 0.978 429 N CA 1.456 54.478 53.050 -0.046 0.000 0.777 429 N CB -1.046 37.417 38.487 -0.041 0.000 0.907 429 N HN 0.816 nan 8.380 nan 0.000 0.543 430 Q N -0.237 119.500 119.800 -0.105 0.000 2.327 430 Q HA 0.262 4.602 4.340 0.001 0.000 0.254 430 Q C 0.109 175.849 176.000 -0.433 0.000 0.952 430 Q CA -0.038 55.585 55.803 -0.300 0.000 0.884 430 Q CB 1.489 29.934 28.738 -0.488 0.000 1.224 430 Q HN 0.488 nan 8.270 nan 0.000 0.422 431 C N 3.797 122.691 119.300 -0.677 0.000 3.276 431 C HA 0.407 4.867 4.460 0.001 0.000 0.226 431 C C 0.566 174.984 174.990 -0.952 0.000 1.502 431 C CA -0.769 57.480 59.018 -1.283 0.000 1.488 431 C CB -1.066 25.979 27.740 -1.157 0.000 2.014 431 C HN 0.677 nan 8.230 nan 0.000 0.492 432 I N 2.337 122.499 120.570 -0.680 0.000 2.710 432 I HA -0.036 4.135 4.170 0.001 0.000 0.286 432 I C 1.880 177.901 176.117 -0.161 0.000 1.181 432 I CA 0.265 61.239 61.300 -0.543 0.000 1.430 432 I CB 0.539 38.173 38.000 -0.609 0.000 1.367 432 I HN 0.568 nan 8.210 nan 0.000 0.577 433 H N 3.457 122.486 119.070 -0.068 0.000 2.321 433 H HA -0.155 4.401 4.556 0.001 0.000 0.295 433 H C 1.890 177.278 175.328 0.100 0.000 1.102 433 H CA 2.116 58.191 56.048 0.045 0.000 1.266 433 H CB -0.196 29.562 29.762 -0.008 0.000 1.363 433 H HN 0.697 nan 8.280 nan 0.000 0.492 434 S N 0.309 116.134 115.700 0.209 0.000 2.582 434 S HA 0.057 4.528 4.470 0.001 0.000 0.234 434 S C 0.143 174.852 174.600 0.181 0.000 0.961 434 S CA -0.462 57.838 58.200 0.167 0.000 0.953 434 S CB 0.075 63.361 63.200 0.143 0.000 0.800 434 S HN 0.135 nan 8.310 nan 0.000 0.471 435 D N 1.803 122.341 120.400 0.230 0.000 2.352 435 D HA 0.229 4.869 4.640 0.001 0.000 0.245 435 D C 1.264 177.704 176.300 0.233 0.000 1.224 435 D CA -0.222 53.948 54.000 0.283 0.000 0.879 435 D CB 0.438 41.447 40.800 0.348 0.000 1.057 435 D HN -0.045 nan 8.370 nan 0.000 0.491 436 M N 2.217 121.943 119.600 0.210 0.000 2.159 436 M HA -0.143 4.337 4.480 0.001 0.000 0.263 436 M C 2.061 178.296 176.300 -0.107 0.000 1.063 436 M CA 0.881 56.262 55.300 0.135 0.000 1.110 436 M CB -1.116 31.678 32.600 0.324 0.000 1.374 436 M HN 0.470 nan 8.290 nan 0.000 0.411 437 S N 0.279 115.950 115.700 -0.048 0.000 2.356 437 S HA -0.176 4.294 4.470 0.001 0.000 0.223 437 S C 1.877 176.216 174.600 -0.436 0.000 1.032 437 S CA 1.324 59.262 58.200 -0.437 0.000 1.005 437 S CB -0.393 62.874 63.200 0.112 0.000 0.867 437 S HN 0.487 nan 8.310 nan 0.000 0.449 438 F N 1.746 121.562 119.950 -0.223 0.000 2.084 438 F HA 0.000 4.528 4.527 0.001 0.000 0.296 438 F C 1.862 177.511 175.800 -0.252 0.000 1.111 438 F CA 1.489 59.334 58.000 -0.258 0.000 1.224 438 F CB -0.337 38.693 39.000 0.049 0.000 0.991 438 F HN 0.177 nan 8.300 nan 0.000 0.471 439 L N 0.073 120.904 121.223 -0.654 0.000 2.079 439 L HA -0.234 4.106 4.340 0.001 0.000 0.210 439 L C 2.567 179.170 176.870 -0.444 0.000 1.081 439 L CA 1.432 55.876 54.840 -0.660 0.000 0.752 439 L CB -0.947 40.911 42.059 -0.334 0.000 0.896 439 L HN 0.183 nan 8.230 nan 0.000 0.433 440 S N -0.561 114.891 115.700 -0.414 0.000 2.368 440 S HA -0.132 4.339 4.470 0.001 0.000 0.224 440 S C 2.040 176.477 174.600 -0.270 0.000 1.029 440 S CA 1.192 59.177 58.200 -0.358 0.000 0.988 440 S CB -0.201 62.604 63.200 -0.658 0.000 0.838 440 S HN 0.166 nan 8.310 nan 0.000 0.462 441 V N 2.106 121.801 119.914 -0.366 0.000 2.358 441 V HA -0.114 4.007 4.120 0.001 0.000 0.246 441 V C 2.213 178.317 176.094 0.018 0.000 1.047 441 V CA 1.303 63.539 62.300 -0.105 0.000 1.035 441 V CB -0.641 31.022 31.823 -0.268 0.000 0.658 441 V HN 0.408 nan 8.190 nan 0.000 0.452 442 L N -0.242 120.861 121.223 -0.201 0.000 1.970 442 L HA -0.281 4.060 4.340 0.001 0.000 0.212 442 L C 2.730 179.491 176.870 -0.182 0.000 1.071 442 L CA 2.377 57.092 54.840 -0.208 0.000 0.751 442 L CB -0.466 41.308 42.059 -0.476 0.000 0.889 442 L HN 0.458 nan 8.230 nan 0.000 0.432 443 Q N -1.067 118.606 119.800 -0.211 0.000 2.061 443 Q HA -0.316 4.024 4.340 0.001 0.000 0.204 443 Q C 2.226 178.106 176.000 -0.199 0.000 0.984 443 Q CA 2.309 57.981 55.803 -0.218 0.000 0.846 443 Q CB -0.438 28.199 28.738 -0.168 0.000 0.902 443 Q HN 0.535 nan 8.270 nan 0.000 0.421 444 Y N 0.308 120.538 120.300 -0.116 0.000 2.165 444 Y HA -0.280 4.271 4.550 0.001 0.000 0.286 444 Y C 2.081 177.867 175.900 -0.190 0.000 1.155 444 Y CA 2.005 60.102 58.100 -0.005 0.000 1.164 444 Y CB -0.424 38.077 38.460 0.069 0.000 0.978 444 Y HN 0.267 nan 8.280 nan 0.000 0.513 445 A N -1.093 121.633 122.820 -0.157 0.000 1.872 445 A HA -0.089 4.231 4.320 0.001 0.000 0.214 445 A C 2.299 179.725 177.584 -0.263 0.000 1.187 445 A CA 1.851 53.701 52.037 -0.312 0.000 0.614 445 A CB -1.190 17.740 19.000 -0.117 0.000 0.826 445 A HN 0.298 nan 8.150 nan 0.000 0.442 446 V N -0.223 119.556 119.914 -0.225 0.000 2.283 446 V HA -0.239 3.881 4.120 0.001 0.000 0.243 446 V C 2.700 178.622 176.094 -0.286 0.000 1.039 446 V CA 2.189 64.354 62.300 -0.225 0.000 1.016 446 V CB -0.771 30.918 31.823 -0.223 0.000 0.650 446 V HN 0.735 nan 8.190 nan 0.000 0.449 447 Q N -1.353 118.197 119.800 -0.417 0.000 2.096 447 Q HA -0.132 4.209 4.340 0.001 0.000 0.197 447 Q C 2.162 177.819 176.000 -0.572 0.000 0.964 447 Q CA 1.777 57.243 55.803 -0.563 0.000 0.838 447 Q CB -0.056 28.175 28.738 -0.845 0.000 0.906 447 Q HN 0.773 nan 8.270 nan 0.000 0.444 448 Y N -0.564 119.554 120.300 -0.303 0.000 2.301 448 Y HA 0.037 4.587 4.550 0.001 0.000 0.295 448 Y C 1.988 177.650 175.900 -0.397 0.000 1.126 448 Y CA 0.174 58.047 58.100 -0.378 0.000 1.154 448 Y CB 0.308 38.440 38.460 -0.547 0.000 1.075 448 Y HN 0.015 nan 8.280 nan 0.000 0.534 449 L N -0.001 121.001 121.223 -0.367 0.000 2.418 449 L HA -0.043 4.298 4.340 0.001 0.000 0.218 449 L C 0.252 177.009 176.870 -0.188 0.000 1.125 449 L CA 0.511 55.172 54.840 -0.299 0.000 0.835 449 L CB -0.217 41.604 42.059 -0.397 0.000 0.953 449 L HN 0.144 nan 8.230 nan 0.000 0.454 450 K N 0.441 120.728 120.400 -0.188 0.000 3.150 450 K HA -0.129 4.191 4.320 0.001 0.000 0.267 450 K C -0.172 176.373 176.600 -0.092 0.000 1.028 450 K CA 0.566 56.776 56.287 -0.128 0.000 0.753 450 K CB -2.502 29.946 32.500 -0.087 0.000 1.288 450 K HN 0.313 nan 8.250 nan 0.000 0.473 451 V N -1.235 118.619 119.914 -0.101 0.000 2.843 451 V HA 0.143 4.263 4.120 0.001 0.000 0.305 451 V C 1.637 177.720 176.094 -0.018 0.000 1.065 451 V CA -0.219 62.052 62.300 -0.048 0.000 1.116 451 V CB 1.070 32.874 31.823 -0.031 0.000 0.968 451 V HN 0.136 nan 8.190 nan 0.000 0.487 452 K N 2.348 122.753 120.400 0.009 0.000 2.243 452 K HA 0.184 4.504 4.320 0.001 0.000 0.201 452 K C 0.660 177.290 176.600 0.050 0.000 1.051 452 K CA 0.796 57.102 56.287 0.031 0.000 0.970 452 K CB -0.039 32.481 32.500 0.033 0.000 0.755 452 K HN 0.721 nan 8.250 nan 0.000 0.465 453 R N -0.423 120.105 120.500 0.048 0.000 2.686 453 R HA 0.420 4.761 4.340 0.001 0.000 0.283 453 R C -1.349 174.983 176.300 0.054 0.000 0.978 453 R CA -0.457 55.677 56.100 0.057 0.000 0.897 453 R CB 2.453 32.785 30.300 0.052 0.000 1.192 453 R HN -0.258 nan 8.270 nan 0.000 0.457 454 V N 3.234 123.174 119.914 0.044 0.000 2.444 454 V HA 0.457 4.578 4.120 0.001 0.000 0.294 454 V C -0.795 175.289 176.094 -0.015 0.000 1.022 454 V CA -0.769 61.553 62.300 0.037 0.000 0.850 454 V CB 1.920 33.764 31.823 0.034 0.000 0.992 454 V HN 0.450 nan 8.190 nan 0.000 0.426 455 V N 5.839 125.697 119.914 -0.094 0.000 2.384 455 V HA 0.438 4.558 4.120 0.001 0.000 0.287 455 V C -0.124 175.710 176.094 -0.433 0.000 1.020 455 V CA -0.628 61.489 62.300 -0.305 0.000 0.850 455 V CB 1.959 33.455 31.823 -0.546 0.000 0.987 455 V HN 0.589 nan 8.190 nan 0.000 0.436 456 V N 4.508 124.230 119.914 -0.320 0.000 2.350 456 V HA 0.302 4.422 4.120 0.001 0.000 0.276 456 V C 0.018 175.902 176.094 -0.350 0.000 1.028 456 V CA -0.340 61.790 62.300 -0.283 0.000 0.860 456 V CB 1.335 33.074 31.823 -0.139 0.000 0.990 456 V HN 1.002 nan 8.190 nan 0.000 0.453 457 C N 5.389 124.441 119.300 -0.414 0.000 2.319 457 C HA 0.873 5.334 4.460 0.001 0.000 0.323 457 C C 0.803 175.783 174.990 -0.015 0.000 1.277 457 C CA -0.159 58.715 59.018 -0.239 0.000 1.517 457 C CB -0.219 27.354 27.740 -0.278 0.000 2.206 457 C HN 1.022 nan 8.230 nan 0.000 0.486 458 G N 3.359 112.153 108.800 -0.009 0.000 2.601 458 G HA2 0.770 4.730 3.960 0.001 0.000 0.317 458 G HA3 0.770 4.730 3.960 0.001 0.000 0.317 458 G C -1.257 173.619 174.900 -0.041 0.000 1.246 458 G CA -0.456 44.640 45.100 -0.007 0.000 1.012 458 G HN 1.044 nan 8.290 nan 0.000 0.494 459 H N -2.897 115.985 119.070 -0.314 0.000 2.974 459 H HA 0.493 5.049 4.556 0.000 0.000 0.366 459 H C -1.494 173.603 175.328 -0.384 0.000 1.155 459 H CA -1.129 54.575 56.048 -0.573 0.000 1.186 459 H CB 0.883 30.250 29.762 -0.659 0.000 1.799 459 H HN 0.482 nan 8.280 nan 0.000 0.541 460 Y N 1.573 121.719 120.300 -0.256 0.000 2.578 460 Y HA 0.216 4.767 4.550 0.001 0.000 0.339 460 Y C 1.460 177.241 175.900 -0.198 0.000 1.231 460 Y CA 0.731 58.723 58.100 -0.180 0.000 1.461 460 Y CB 0.708 39.120 38.460 -0.080 0.000 1.323 460 Y HN 1.109 nan 8.280 nan 0.000 0.590 461 A N 0.974 123.817 122.820 0.039 0.000 2.899 461 A HA -0.297 4.023 4.320 0.001 0.000 0.257 461 A C 0.693 178.212 177.584 -0.108 0.000 1.335 461 A CA 0.400 52.430 52.037 -0.011 0.000 0.924 461 A CB -2.215 16.815 19.000 0.050 0.000 1.105 461 A HN 0.877 nan 8.150 nan 0.000 0.765 462 C N 0.756 119.843 119.300 -0.354 0.000 2.409 462 C HA 0.349 4.809 4.460 0.001 0.000 0.398 462 C C 2.149 177.083 174.990 -0.092 0.000 1.507 462 C CA 0.803 59.550 59.018 -0.452 0.000 1.460 462 C CB -1.026 26.370 27.740 -0.575 0.000 2.472 462 C HN 1.351 nan 8.230 nan 0.000 0.614 463 G N 4.700 113.537 108.800 0.061 0.000 2.432 463 G HA2 -0.015 3.945 3.960 0.001 0.000 0.219 463 G HA3 -0.015 3.945 3.960 0.001 0.000 0.219 463 G C 1.542 176.490 174.900 0.081 0.000 1.135 463 G CA 0.939 46.127 45.100 0.146 0.000 0.767 463 G HN 1.048 nan 8.290 nan 0.000 0.550 464 G N 0.138 108.892 108.800 -0.077 0.000 2.402 464 G HA2 -0.213 3.748 3.960 0.001 0.000 0.216 464 G HA3 -0.213 3.748 3.960 0.001 0.000 0.216 464 G C 1.827 176.671 174.900 -0.093 0.000 1.162 464 G CA 1.294 46.257 45.100 -0.228 0.000 0.777 464 G HN 0.442 nan 8.290 nan 0.000 0.539 465 C N 0.854 120.112 119.300 -0.070 0.000 2.440 465 C HA 0.248 4.708 4.460 0.001 0.000 0.278 465 C C 3.520 178.500 174.990 -0.018 0.000 1.295 465 C CA 0.706 59.693 59.018 -0.051 0.000 1.738 465 C CB -0.825 26.873 27.740 -0.071 0.000 1.987 465 C HN 0.557 nan 8.230 nan 0.000 0.492 466 A N 0.642 123.462 122.820 -0.000 0.000 1.902 466 A HA 0.071 4.392 4.320 0.001 0.000 0.217 466 A C 2.363 179.983 177.584 0.061 0.000 1.181 466 A CA 1.975 54.031 52.037 0.032 0.000 0.623 466 A CB -0.863 18.167 19.000 0.051 0.000 0.818 466 A HN 0.559 nan 8.150 nan 0.000 0.443 467 A N -0.111 122.751 122.820 0.070 0.000 1.972 467 A HA 0.167 4.487 4.320 0.001 0.000 0.219 467 A C 2.415 180.053 177.584 0.090 0.000 1.169 467 A CA 1.880 53.981 52.037 0.107 0.000 0.635 467 A CB -0.908 18.074 19.000 -0.029 0.000 0.810 467 A HN 1.104 nan 8.150 nan 0.000 0.446 468 A N -0.387 122.456 122.820 0.037 0.000 2.070 468 A HA 0.030 4.350 4.320 0.001 0.000 0.220 468 A C 1.869 179.471 177.584 0.030 0.000 1.159 468 A CA 1.374 53.428 52.037 0.029 0.000 0.656 468 A CB -0.505 18.492 19.000 -0.005 0.000 0.800 468 A HN 0.514 nan 8.150 nan 0.000 0.453 469 L N -1.165 120.079 121.223 0.035 0.000 2.592 469 L HA 0.214 4.555 4.340 0.001 0.000 0.227 469 L C 1.611 178.506 176.870 0.041 0.000 1.127 469 L CA -0.076 54.780 54.840 0.027 0.000 0.884 469 L CB -0.435 41.635 42.059 0.019 0.000 1.065 469 L HN 0.364 nan 8.230 nan 0.000 0.457 470 G N -0.420 108.422 108.800 0.071 0.000 2.535 470 G HA2 0.116 4.076 3.960 0.001 0.000 0.282 470 G HA3 0.116 4.076 3.960 0.001 0.000 0.282 470 G C -0.126 174.812 174.900 0.064 0.000 1.350 470 G CA -0.275 44.871 45.100 0.078 0.000 1.039 470 G HN 0.075 nan 8.290 nan 0.000 0.509 471 D N -0.698 119.734 120.400 0.053 0.000 2.424 471 D HA 0.142 4.783 4.640 0.001 0.000 0.220 471 D C 0.915 177.235 176.300 0.033 0.000 1.150 471 D CA -0.043 53.978 54.000 0.034 0.000 0.831 471 D CB 0.579 41.387 40.800 0.014 0.000 0.981 471 D HN 0.200 nan 8.370 nan 0.000 0.500 472 S N 0.826 116.563 115.700 0.062 0.000 2.560 472 S HA 0.072 4.542 4.470 0.001 0.000 0.284 472 S C 0.963 175.596 174.600 0.055 0.000 1.327 472 S CA -0.126 58.099 58.200 0.042 0.000 1.055 472 S CB 0.575 63.824 63.200 0.082 0.000 0.868 472 S HN -0.001 nan 8.310 nan 0.000 0.506 473 R N 3.881 124.393 120.500 0.021 0.000 2.696 473 R HA 0.247 4.588 4.340 0.001 0.000 0.355 473 R C -0.560 175.759 176.300 0.031 0.000 1.138 473 R CA -0.154 55.963 56.100 0.027 0.000 1.059 473 R CB -0.462 29.843 30.300 0.008 0.000 1.380 473 R HN 0.593 nan 8.270 nan 0.000 0.578 474 L N 0.386 121.640 121.223 0.052 0.000 2.500 474 L HA 0.087 4.427 4.340 0.001 0.000 0.272 474 L C 1.855 178.765 176.870 0.066 0.000 1.149 474 L CA -0.009 54.862 54.840 0.053 0.000 0.897 474 L CB 0.630 42.742 42.059 0.088 0.000 1.178 474 L HN 0.281 nan 8.230 nan 0.000 0.473 475 G N 4.087 112.910 108.800 0.037 0.000 2.503 475 G HA2 -0.236 3.724 3.960 0.001 0.000 0.221 475 G HA3 -0.236 3.724 3.960 0.001 0.000 0.221 475 G C 1.256 176.189 174.900 0.054 0.000 1.131 475 G CA 1.001 46.125 45.100 0.039 0.000 0.756 475 G HN 0.576 nan 8.290 nan 0.000 0.572 476 L N -1.022 120.228 121.223 0.045 0.000 2.262 476 L HA 0.347 4.687 4.340 0.001 0.000 0.197 476 L C 2.416 179.339 176.870 0.088 0.000 1.073 476 L CA 0.038 54.903 54.840 0.042 0.000 0.800 476 L CB -0.338 41.699 42.059 -0.037 0.000 0.987 476 L HN 0.126 nan 8.230 nan 0.000 0.470 477 I N 0.323 120.950 120.570 0.095 0.000 2.252 477 I HA -0.220 3.950 4.170 0.001 0.000 0.245 477 I C 1.796 178.048 176.117 0.224 0.000 1.102 477 I CA 1.708 63.096 61.300 0.147 0.000 1.385 477 I CB -0.320 37.800 38.000 0.200 0.000 1.064 477 I HN 0.219 nan 8.210 nan 0.000 0.414 478 D N 0.243 120.763 120.400 0.200 0.000 2.277 478 D HA -0.090 4.550 4.640 0.001 0.000 0.208 478 D C 1.625 178.006 176.300 0.133 0.000 0.962 478 D CA 0.594 54.697 54.000 0.173 0.000 0.865 478 D CB -0.287 40.608 40.800 0.158 0.000 0.939 478 D HN 0.442 nan 8.370 nan 0.000 0.510 479 N N 0.224 119.010 118.700 0.144 0.000 2.290 479 N HA -0.093 4.647 4.740 0.001 0.000 0.179 479 N C 1.711 177.317 175.510 0.160 0.000 1.016 479 N CA 0.236 53.352 53.050 0.110 0.000 0.871 479 N CB -0.164 38.384 38.487 0.101 0.000 0.987 479 N HN 0.399 nan 8.380 nan 0.000 0.431 480 W N 2.380 123.709 121.300 0.049 0.000 2.335 480 W HA -0.100 4.560 4.660 0.000 0.000 0.311 480 W C 1.298 177.876 176.519 0.099 0.000 1.213 480 W CA 0.816 58.219 57.345 0.097 0.000 1.274 480 W CB -0.357 29.132 29.460 0.047 0.000 1.148 480 W HN -0.006 nan 8.180 nan 0.000 0.498 481 L N 1.146 122.479 121.223 0.183 0.000 2.362 481 L HA -0.168 4.172 4.340 0.001 0.000 0.219 481 L C 2.616 179.457 176.870 -0.048 0.000 1.134 481 L CA 0.611 55.474 54.840 0.038 0.000 0.807 481 L CB -0.795 41.320 42.059 0.092 0.000 0.927 481 L HN -0.164 nan 8.230 nan 0.000 0.447 482 R N -0.243 120.209 120.500 -0.080 0.000 2.200 482 R HA -0.170 4.170 4.340 0.001 0.000 0.234 482 R C 1.893 178.053 176.300 -0.234 0.000 1.127 482 R CA 1.171 57.179 56.100 -0.154 0.000 0.989 482 R CB -0.768 29.424 30.300 -0.181 0.000 0.869 482 R HN 0.516 nan 8.270 nan 0.000 0.459 483 H N -0.540 118.423 119.070 -0.179 0.000 2.423 483 H HA 0.007 4.563 4.556 0.000 0.000 0.297 483 H C 1.839 177.062 175.328 -0.175 0.000 1.075 483 H CA 1.310 57.232 56.048 -0.211 0.000 1.342 483 H CB 0.024 29.572 29.762 -0.357 0.000 1.395 483 H HN 0.056 nan 8.280 nan 0.000 0.530 484 I N -0.082 120.449 120.570 -0.065 0.000 2.546 484 I HA -0.175 3.995 4.170 0.001 0.000 0.255 484 I C 2.182 178.264 176.117 -0.058 0.000 1.163 484 I CA 0.661 61.922 61.300 -0.065 0.000 1.457 484 I CB 0.029 37.990 38.000 -0.066 0.000 1.092 484 I HN 0.135 nan 8.210 nan 0.000 0.434 485 R N 0.585 121.042 120.500 -0.071 0.000 2.092 485 R HA -0.130 4.210 4.340 0.001 0.000 0.231 485 R C 1.640 177.874 176.300 -0.109 0.000 1.119 485 R CA 1.231 57.284 56.100 -0.079 0.000 0.970 485 R CB -0.693 29.559 30.300 -0.080 0.000 0.864 485 R HN 0.346 nan 8.270 nan 0.000 0.440 486 D N 0.052 120.388 120.400 -0.108 0.000 2.144 486 D HA -0.105 4.535 4.640 0.001 0.000 0.199 486 D C 1.991 178.244 176.300 -0.079 0.000 0.984 486 D CA 0.834 54.756 54.000 -0.130 0.000 0.834 486 D CB -0.113 40.688 40.800 0.002 0.000 0.955 486 D HN -0.033 nan 8.370 nan 0.000 0.465 487 V N 0.771 120.680 119.914 -0.010 0.000 2.343 487 V HA -0.222 3.898 4.120 0.001 0.000 0.247 487 V C 2.540 178.632 176.094 -0.004 0.000 1.051 487 V CA 1.550 63.865 62.300 0.025 0.000 1.036 487 V CB -0.419 31.402 31.823 -0.003 0.000 0.654 487 V HN 0.139 nan 8.190 nan 0.000 0.451 488 R N 0.153 120.628 120.500 -0.042 0.000 2.070 488 R HA -0.207 4.133 4.340 0.001 0.000 0.233 488 R C 2.590 178.851 176.300 -0.065 0.000 1.137 488 R CA 2.118 58.193 56.100 -0.042 0.000 0.945 488 R CB -0.335 29.937 30.300 -0.046 0.000 0.845 488 R HN 0.435 nan 8.270 nan 0.000 0.430 489 R N -0.452 119.962 120.500 -0.143 0.000 2.105 489 R HA -0.172 4.168 4.340 0.001 0.000 0.239 489 R C 1.220 177.399 176.300 -0.202 0.000 1.135 489 R CA 2.105 58.078 56.100 -0.211 0.000 0.967 489 R CB -0.224 29.870 30.300 -0.343 0.000 0.861 489 R HN 0.495 nan 8.270 nan 0.000 0.442 490 H N -1.104 117.963 119.070 -0.005 0.000 2.539 490 H HA 0.210 4.766 4.556 0.001 0.000 0.267 490 H C 0.144 175.477 175.328 0.009 0.000 0.982 490 H CA 0.078 56.127 56.048 0.002 0.000 1.146 490 H CB 0.405 30.168 29.762 0.001 0.000 1.382 490 H HN 0.237 nan 8.280 nan 0.000 0.577 491 N N 0.241 118.990 118.700 0.083 0.000 2.377 491 N HA -0.010 4.731 4.740 0.001 0.000 0.259 491 N C 0.644 176.175 175.510 0.034 0.000 1.332 491 N CA 0.075 53.163 53.050 0.063 0.000 0.877 491 N CB 0.919 39.441 38.487 0.059 0.000 1.299 491 N HN 0.309 nan 8.380 nan 0.000 0.501 492 Q N 0.750 120.564 119.800 0.023 0.000 2.226 492 Q HA -0.002 4.339 4.340 0.001 0.000 0.204 492 Q C 1.981 177.991 176.000 0.016 0.000 0.975 492 Q CA 0.705 56.514 55.803 0.011 0.000 0.866 492 Q CB 0.022 28.761 28.738 0.002 0.000 0.915 492 Q HN 0.412 nan 8.270 nan 0.000 0.440 493 A N 1.182 124.016 122.820 0.024 0.000 1.865 493 A HA -0.257 4.063 4.320 0.001 0.000 0.217 493 A C 2.086 179.682 177.584 0.019 0.000 1.191 493 A CA 2.015 54.065 52.037 0.022 0.000 0.623 493 A CB -0.423 18.594 19.000 0.028 0.000 0.826 493 A HN 0.343 nan 8.150 nan 0.000 0.444 494 E N 0.040 120.254 120.200 0.023 0.000 2.076 494 E HA -0.021 4.330 4.350 0.001 0.000 0.190 494 E C 1.843 178.453 176.600 0.016 0.000 0.979 494 E CA 1.010 57.422 56.400 0.021 0.000 0.807 494 E CB -0.472 29.244 29.700 0.027 0.000 0.761 494 E HN 0.547 nan 8.360 nan 0.000 0.454 495 L N 0.368 121.600 121.223 0.015 0.000 2.131 495 L HA -0.133 4.207 4.340 0.001 0.000 0.210 495 L C 2.419 179.292 176.870 0.005 0.000 1.092 495 L CA 1.264 56.109 54.840 0.010 0.000 0.759 495 L CB -0.433 41.630 42.059 0.007 0.000 0.903 495 L HN 0.102 nan 8.230 nan 0.000 0.435 496 S N -0.192 115.511 115.700 0.005 0.000 2.419 496 S HA -0.164 4.306 4.470 0.001 0.000 0.235 496 S C 1.949 176.551 174.600 0.002 0.000 1.019 496 S CA 1.127 59.329 58.200 0.003 0.000 0.982 496 S CB -0.242 62.961 63.200 0.004 0.000 0.789 496 S HN 0.421 nan 8.310 nan 0.000 0.490 497 R N 0.401 120.903 120.500 0.004 0.000 2.189 497 R HA 0.095 4.436 4.340 0.001 0.000 0.223 497 R C 0.151 176.451 176.300 -0.001 0.000 1.092 497 R CA 0.673 56.774 56.100 0.002 0.000 0.989 497 R CB -0.267 30.035 30.300 0.003 0.000 0.876 497 R HN 0.394 nan 8.270 nan 0.000 0.457 498 I N -0.479 120.091 120.570 -0.001 0.000 2.354 498 I HA 0.124 4.295 4.170 0.001 0.000 0.292 498 I C 0.786 176.900 176.117 -0.004 0.000 0.989 498 I CA -0.200 61.098 61.300 -0.004 0.000 1.188 498 I CB 2.092 40.089 38.000 -0.004 0.000 1.342 498 I HN -0.168 nan 8.210 nan 0.000 0.457 499 T N 2.066 116.617 114.554 -0.006 0.000 2.978 499 T HA 0.005 4.355 4.350 0.001 0.000 0.248 499 T C 0.369 175.065 174.700 -0.006 0.000 1.018 499 T CA 0.056 62.153 62.100 -0.005 0.000 1.026 499 T CB -0.009 68.856 68.868 -0.004 0.000 1.032 499 T HN 0.733 nan 8.240 nan 0.000 0.485 500 D N 1.884 122.279 120.400 -0.009 0.000 2.434 500 D HA 0.097 4.737 4.640 0.001 0.000 0.252 500 D C -1.575 174.719 176.300 -0.010 0.000 1.185 500 D CA -1.383 52.611 54.000 -0.011 0.000 0.886 500 D CB 1.411 42.202 40.800 -0.016 0.000 1.148 500 D HN 0.069 nan 8.370 nan 0.000 0.483 501 P HA -0.244 nan 4.420 nan 0.000 0.215 501 P C 1.162 178.459 177.300 -0.006 0.000 1.163 501 P CA 1.395 64.493 63.100 -0.003 0.000 0.894 501 P CB 0.103 31.803 31.700 0.000 0.000 0.791 502 K N -0.348 120.045 120.400 -0.011 0.000 2.009 502 K HA -0.205 4.115 4.320 0.001 0.000 0.210 502 K C 1.605 178.186 176.600 -0.031 0.000 1.049 502 K CA 2.125 58.401 56.287 -0.018 0.000 0.929 502 K CB -0.641 31.844 32.500 -0.025 0.000 0.714 502 K HN 0.014 nan 8.250 nan 0.000 0.440 503 D N -0.136 120.240 120.400 -0.039 0.000 2.178 503 D HA -0.116 4.524 4.640 0.001 0.000 0.202 503 D C 1.914 178.199 176.300 -0.024 0.000 0.974 503 D CA 0.903 54.873 54.000 -0.050 0.000 0.841 503 D CB -0.242 40.530 40.800 -0.047 0.000 0.953 503 D HN 0.182 nan 8.370 nan 0.000 0.478 504 S N -0.106 115.586 115.700 -0.013 0.000 2.368 504 S HA -0.064 4.407 4.470 0.001 0.000 0.224 504 S C 1.904 176.507 174.600 0.004 0.000 1.029 504 S CA 0.397 58.595 58.200 -0.003 0.000 0.988 504 S CB -0.224 62.974 63.200 -0.003 0.000 0.838 504 S HN 0.232 nan 8.310 nan 0.000 0.462 505 L N 1.490 122.716 121.223 0.004 0.000 2.027 505 L HA -0.106 4.234 4.340 0.001 0.000 0.206 505 L C 2.082 178.970 176.870 0.030 0.000 1.074 505 L CA 1.836 56.682 54.840 0.010 0.000 0.745 505 L CB -0.851 41.212 42.059 0.008 0.000 0.898 505 L HN 0.485 nan 8.230 nan 0.000 0.433 506 N N -0.662 118.062 118.700 0.041 0.000 2.289 506 N HA -0.251 4.489 4.740 0.001 0.000 0.184 506 N C 1.828 177.423 175.510 0.141 0.000 1.016 506 N CA 0.731 53.855 53.050 0.124 0.000 0.872 506 N CB 0.035 38.512 38.487 -0.017 0.000 0.973 506 N HN 0.182 nan 8.380 nan 0.000 0.433 507 R N 1.636 122.175 120.500 0.065 0.000 2.075 507 R HA 0.095 4.436 4.340 0.001 0.000 0.226 507 R C 2.033 178.364 176.300 0.052 0.000 1.114 507 R CA 0.732 56.870 56.100 0.062 0.000 0.972 507 R CB -0.779 29.540 30.300 0.032 0.000 0.869 507 R HN 0.180 nan 8.270 nan 0.000 0.437 508 L N 0.170 121.412 121.223 0.033 0.000 2.042 508 L HA -0.162 4.178 4.340 0.001 0.000 0.210 508 L C 2.039 178.914 176.870 0.007 0.000 1.076 508 L CA 1.710 56.559 54.840 0.015 0.000 0.749 508 L CB -0.280 41.780 42.059 0.002 0.000 0.893 508 L HN 0.312 nan 8.230 nan 0.000 0.432 509 I N -0.227 120.350 120.570 0.012 0.000 2.286 509 I HA -0.323 3.847 4.170 0.001 0.000 0.248 509 I C 2.345 178.452 176.117 -0.017 0.000 1.115 509 I CA 1.328 62.615 61.300 -0.022 0.000 1.392 509 I CB -0.168 37.815 38.000 -0.029 0.000 1.065 509 I HN 0.351 nan 8.210 nan 0.000 0.418 510 E N 0.877 121.099 120.200 0.037 0.000 2.046 510 E HA -0.162 4.189 4.350 0.001 0.000 0.190 510 E C 2.273 178.894 176.600 0.036 0.000 0.982 510 E CA 1.169 57.595 56.400 0.043 0.000 0.800 510 E CB -0.027 29.733 29.700 0.100 0.000 0.756 510 E HN 0.461 nan 8.360 nan 0.000 0.449 511 I N 1.796 122.390 120.570 0.040 0.000 2.394 511 I HA -0.248 3.922 4.170 0.001 0.000 0.251 511 I C 2.462 178.594 176.117 0.025 0.000 1.136 511 I CA 0.659 61.986 61.300 0.045 0.000 1.425 511 I CB -0.388 37.639 38.000 0.045 0.000 1.079 511 I HN 0.199 nan 8.210 nan 0.000 0.425 512 N N 1.195 119.892 118.700 -0.005 0.000 2.120 512 N HA -0.154 4.586 4.740 0.001 0.000 0.188 512 N C 1.957 177.437 175.510 -0.050 0.000 1.024 512 N CA 1.377 54.403 53.050 -0.040 0.000 0.852 512 N CB 0.175 38.626 38.487 -0.060 0.000 1.003 512 N HN 0.116 nan 8.380 nan 0.000 0.424 513 V N 2.206 122.100 119.914 -0.034 0.000 2.343 513 V HA -0.195 3.925 4.120 0.001 0.000 0.247 513 V C 2.560 178.666 176.094 0.019 0.000 1.051 513 V CA 1.045 63.326 62.300 -0.032 0.000 1.036 513 V CB -0.609 31.197 31.823 -0.028 0.000 0.654 513 V HN 0.421 nan 8.190 nan 0.000 0.451 514 L N 0.029 121.294 121.223 0.070 0.000 2.017 514 L HA -0.186 4.155 4.340 0.001 0.000 0.208 514 L C 2.538 179.497 176.870 0.148 0.000 1.073 514 L CA 2.329 57.277 54.840 0.180 0.000 0.745 514 L CB -0.712 41.454 42.059 0.179 0.000 0.894 514 L HN 0.399 nan 8.230 nan 0.000 0.432 515 E N -0.451 119.778 120.200 0.047 0.000 2.077 515 E HA -0.224 4.126 4.350 0.001 0.000 0.193 515 E C 2.179 178.703 176.600 -0.127 0.000 0.989 515 E CA 1.143 57.523 56.400 -0.035 0.000 0.800 515 E CB 0.073 29.745 29.700 -0.047 0.000 0.746 515 E HN 0.421 nan 8.360 nan 0.000 0.452 516 Q N -0.603 119.120 119.800 -0.129 0.000 2.167 516 Q HA -0.062 4.278 4.340 0.001 0.000 0.202 516 Q C 2.220 178.136 176.000 -0.140 0.000 0.970 516 Q CA 1.136 56.817 55.803 -0.204 0.000 0.855 516 Q CB -0.297 28.308 28.738 -0.222 0.000 0.911 516 Q HN 0.426 nan 8.270 nan 0.000 0.438 517 M N -0.771 118.811 119.600 -0.030 0.000 2.117 517 M HA -0.190 4.290 4.480 0.001 0.000 0.262 517 M C 2.127 178.419 176.300 -0.013 0.000 1.065 517 M CA 1.511 56.859 55.300 0.080 0.000 1.114 517 M CB -0.461 32.320 32.600 0.301 0.000 1.361 517 M HN 0.343 nan 8.290 nan 0.000 0.408 518 H N 0.361 119.113 119.070 -0.531 0.000 2.289 518 H HA -0.190 4.366 4.556 0.001 0.000 0.296 518 H C 1.820 176.926 175.328 -0.370 0.000 1.091 518 H CA 1.716 57.152 56.048 -1.020 0.000 1.274 518 H CB 0.205 29.314 29.762 -1.087 0.000 1.364 518 H HN 0.334 nan 8.280 nan 0.000 0.490 519 N N 0.232 118.853 118.700 -0.133 0.000 2.104 519 N HA -0.175 4.565 4.740 0.001 0.000 0.190 519 N C 2.160 177.709 175.510 0.065 0.000 1.024 519 N CA 1.393 54.389 53.050 -0.089 0.000 0.853 519 N CB -0.697 37.585 38.487 -0.341 0.000 1.008 519 N HN 0.415 nan 8.380 nan 0.000 0.424 520 V N -0.358 119.597 119.914 0.068 0.000 2.515 520 V HA -0.151 3.969 4.120 0.001 0.000 0.250 520 V C 2.141 178.255 176.094 0.035 0.000 1.058 520 V CA 1.453 63.852 62.300 0.165 0.000 1.064 520 V CB -0.868 31.071 31.823 0.195 0.000 0.675 520 V HN 0.324 nan 8.190 nan 0.000 0.461 521 C N 1.058 120.392 119.300 0.056 0.000 2.435 521 C HA 0.190 4.650 4.460 0.001 0.000 0.279 521 C C 3.065 178.093 174.990 0.063 0.000 1.321 521 C CA 0.985 60.036 59.018 0.055 0.000 1.752 521 C CB -1.506 26.442 27.740 0.346 0.000 1.959 521 C HN 0.734 nan 8.230 nan 0.000 0.500 522 A N 0.342 123.230 122.820 0.114 0.000 2.208 522 A HA 0.100 4.421 4.320 0.001 0.000 0.209 522 A C 1.210 178.822 177.584 0.046 0.000 1.161 522 A CA 0.976 53.075 52.037 0.103 0.000 0.782 522 A CB -0.733 18.329 19.000 0.104 0.000 0.816 522 A HN 0.665 nan 8.150 nan 0.000 0.477 523 T N -1.470 113.098 114.554 0.025 0.000 2.926 523 T HA 0.256 4.606 4.350 0.001 0.000 0.307 523 T C 1.302 175.962 174.700 -0.067 0.000 1.059 523 T CA 0.231 62.324 62.100 -0.011 0.000 1.122 523 T CB 1.096 69.934 68.868 -0.050 0.000 0.972 523 T HN 0.546 nan 8.240 nan 0.000 0.545 524 S N 2.527 118.189 115.700 -0.062 0.000 2.400 524 S HA -0.145 4.325 4.470 0.001 0.000 0.232 524 S C 1.891 176.425 174.600 -0.109 0.000 1.025 524 S CA 0.987 59.147 58.200 -0.067 0.000 0.993 524 S CB -0.939 62.228 63.200 -0.054 0.000 0.808 524 S HN 0.736 nan 8.310 nan 0.000 0.478 525 I N 1.187 121.667 120.570 -0.150 0.000 2.142 525 I HA -0.124 4.047 4.170 0.001 0.000 0.240 525 I C 2.459 178.424 176.117 -0.253 0.000 1.078 525 I CA 1.181 62.361 61.300 -0.200 0.000 1.343 525 I CB -0.490 37.370 38.000 -0.234 0.000 1.046 525 I HN 0.217 nan 8.210 nan 0.000 0.405 526 V N 0.126 119.850 119.914 -0.316 0.000 2.453 526 V HA -0.192 3.928 4.120 0.001 0.000 0.247 526 V C 2.478 178.237 176.094 -0.557 0.000 1.048 526 V CA 1.375 63.338 62.300 -0.561 0.000 1.049 526 V CB -0.600 30.794 31.823 -0.716 0.000 0.672 526 V HN 0.415 nan 8.190 nan 0.000 0.457 527 Q N -0.150 119.494 119.800 -0.261 0.000 2.084 527 Q HA -0.207 4.134 4.340 0.001 0.000 0.202 527 Q C 2.058 178.067 176.000 0.015 0.000 0.978 527 Q CA 1.661 57.452 55.803 -0.019 0.000 0.844 527 Q CB -0.500 28.260 28.738 0.036 0.000 0.898 527 Q HN 0.604 nan 8.270 nan 0.000 0.426 528 D N 0.508 120.876 120.400 -0.054 0.000 2.097 528 D HA -0.105 4.535 4.640 0.001 0.000 0.195 528 D C 1.772 178.057 176.300 -0.026 0.000 0.989 528 D CA 1.501 55.480 54.000 -0.034 0.000 0.827 528 D CB -0.188 40.571 40.800 -0.069 0.000 0.966 528 D HN 0.234 nan 8.370 nan 0.000 0.456 529 A N 0.634 123.398 122.820 -0.094 0.000 1.902 529 A HA -0.184 4.136 4.320 0.001 0.000 0.217 529 A C 2.104 179.738 177.584 0.084 0.000 1.181 529 A CA 1.120 53.115 52.037 -0.069 0.000 0.623 529 A CB -0.978 17.917 19.000 -0.175 0.000 0.818 529 A HN 0.236 nan 8.150 nan 0.000 0.443 530 W N 1.111 122.401 121.300 -0.017 0.000 2.353 530 W HA -0.118 4.542 4.660 0.000 0.000 0.319 530 W C 1.758 178.272 176.519 -0.008 0.000 1.207 530 W CA 1.549 58.890 57.345 -0.007 0.000 1.291 530 W CB -1.285 28.178 29.460 0.005 0.000 1.159 530 W HN 0.688 nan 8.180 nan 0.000 0.478 531 D N -0.859 119.688 120.400 0.246 0.000 2.378 531 D HA 0.050 4.691 4.640 0.001 0.000 0.227 531 D C 1.426 177.775 176.300 0.081 0.000 1.012 531 D CA 0.972 55.050 54.000 0.130 0.000 0.905 531 D CB -0.702 40.159 40.800 0.102 0.000 0.895 531 D HN 0.006 nan 8.370 nan 0.000 0.532 532 A N -0.116 122.753 122.820 0.082 0.000 2.308 532 A HA 0.569 4.889 4.320 0.001 0.000 0.217 532 A C 1.907 179.521 177.584 0.050 0.000 1.216 532 A CA 0.176 52.240 52.037 0.045 0.000 0.864 532 A CB -0.441 18.572 19.000 0.021 0.000 0.902 532 A HN 0.500 nan 8.150 nan 0.000 0.499 533 G N -0.518 108.329 108.800 0.078 0.000 2.160 533 G HA2 -0.293 3.667 3.960 0.001 0.000 0.251 533 G HA3 -0.293 3.667 3.960 0.001 0.000 0.251 533 G C 0.105 175.049 174.900 0.072 0.000 1.008 533 G CA 0.463 45.602 45.100 0.065 0.000 0.724 533 G HN 0.827 nan 8.290 nan 0.000 0.514 534 Q N 0.332 120.192 119.800 0.098 0.000 2.279 534 Q HA 0.401 4.741 4.340 0.001 0.000 0.256 534 Q C 0.183 176.265 176.000 0.136 0.000 0.937 534 Q CA -0.446 55.406 55.803 0.081 0.000 0.933 534 Q CB 0.427 29.188 28.738 0.039 0.000 1.189 534 Q HN 0.526 nan 8.270 nan 0.000 0.417 535 E N 3.284 123.541 120.200 0.094 0.000 2.383 535 E HA 0.100 4.451 4.350 0.001 0.000 0.257 535 E C -1.086 175.596 176.600 0.138 0.000 1.079 535 E CA 0.125 56.591 56.400 0.109 0.000 0.934 535 E CB 0.448 30.185 29.700 0.063 0.000 0.978 535 E HN 0.284 nan 8.360 nan 0.000 0.462 536 L N 3.658 125.032 121.223 0.251 0.000 2.611 536 L HA 0.207 4.547 4.340 0.001 0.000 0.263 536 L C -1.118 175.984 176.870 0.387 0.000 0.969 536 L CA -0.200 54.785 54.840 0.241 0.000 0.894 536 L CB 1.816 43.944 42.059 0.115 0.000 1.229 536 L HN 0.431 nan 8.230 nan 0.000 0.416 537 E N 3.974 124.311 120.200 0.227 0.000 2.156 537 E HA 0.571 4.922 4.350 0.001 0.000 0.279 537 E C -1.502 175.211 176.600 0.188 0.000 0.965 537 E CA -0.727 55.805 56.400 0.220 0.000 0.789 537 E CB 1.602 31.378 29.700 0.126 0.000 1.098 537 E HN 0.493 nan 8.360 nan 0.000 0.397 538 V N 4.873 124.933 119.914 0.244 0.000 2.333 538 V HA 0.180 4.300 4.120 0.001 0.000 0.274 538 V C -0.187 175.987 176.094 0.134 0.000 1.028 538 V CA -0.575 61.831 62.300 0.177 0.000 0.851 538 V CB 0.999 32.966 31.823 0.241 0.000 1.000 538 V HN 0.686 nan 8.190 nan 0.000 0.456 539 Q N 3.733 123.571 119.800 0.063 0.000 2.282 539 Q HA 0.714 5.054 4.340 0.001 0.000 0.260 539 Q C -0.117 175.880 176.000 -0.005 0.000 0.964 539 Q CA -0.123 55.701 55.803 0.035 0.000 0.880 539 Q CB 2.015 30.750 28.738 -0.006 0.000 1.286 539 Q HN 0.813 nan 8.270 nan 0.000 0.445 540 G N 1.565 110.387 108.800 0.037 0.000 2.415 540 G HA2 0.684 4.644 3.960 0.001 0.000 0.327 540 G HA3 0.684 4.644 3.960 0.001 0.000 0.327 540 G C -1.508 173.417 174.900 0.041 0.000 1.182 540 G CA -0.430 44.682 45.100 0.020 0.000 0.924 540 G HN 0.548 nan 8.290 nan 0.000 0.470 541 V N 1.202 121.109 119.914 -0.012 0.000 3.120 541 V HA 0.777 4.897 4.120 0.001 0.000 0.303 541 V C -1.080 175.039 176.094 0.042 0.000 1.238 541 V CA -0.575 61.761 62.300 0.060 0.000 1.008 541 V CB 2.387 34.186 31.823 -0.040 0.000 1.064 541 V HN 0.815 nan 8.190 nan 0.000 0.434 542 V N 4.795 124.766 119.914 0.095 0.000 3.178 542 V HA 0.863 4.983 4.120 0.001 0.000 0.302 542 V C -1.966 174.164 176.094 0.059 0.000 1.262 542 V CA -0.352 61.921 62.300 -0.045 0.000 1.030 542 V CB 2.297 33.954 31.823 -0.277 0.000 1.074 542 V HN 1.176 nan 8.190 nan 0.000 0.438 543 Y N 1.795 121.958 120.300 -0.230 0.000 2.656 543 Y HA 0.890 5.441 4.550 0.000 0.000 0.334 543 Y C -0.377 175.551 175.900 0.046 0.000 1.179 543 Y CA -0.536 57.556 58.100 -0.014 0.000 1.050 543 Y CB 1.495 40.042 38.460 0.145 0.000 1.308 543 Y HN 0.891 nan 8.280 nan 0.000 0.456 544 G N 0.715 109.755 108.800 0.400 0.000 2.416 544 G HA2 0.423 4.384 3.960 0.001 0.000 0.324 544 G HA3 0.423 4.384 3.960 0.001 0.000 0.324 544 G C -0.187 174.965 174.900 0.420 0.000 1.194 544 G CA -0.506 44.827 45.100 0.389 0.000 0.922 544 G HN 1.002 nan 8.290 nan 0.000 0.467 545 V N 3.140 123.266 119.914 0.353 0.000 2.720 545 V HA -0.043 4.077 4.120 0.001 0.000 0.256 545 V C 2.430 178.761 176.094 0.395 0.000 1.082 545 V CA 2.722 65.303 62.300 0.469 0.000 1.101 545 V CB -0.465 31.573 31.823 0.359 0.000 0.693 545 V HN 0.808 nan 8.190 nan 0.000 0.479 546 G N 0.279 109.243 108.800 0.272 0.000 2.470 546 G HA2 -0.217 3.744 3.960 0.001 0.000 0.220 546 G HA3 -0.217 3.744 3.960 0.001 0.000 0.220 546 G C 0.960 175.949 174.900 0.148 0.000 1.121 546 G CA 1.142 46.368 45.100 0.211 0.000 0.766 546 G HN 0.777 nan 8.290 nan 0.000 0.553 547 D N -3.248 117.169 120.400 0.029 0.000 2.486 547 D HA 0.166 4.806 4.640 0.001 0.000 0.243 547 D C 1.589 177.446 176.300 -0.739 0.000 1.146 547 D CA 0.624 54.408 54.000 -0.360 0.000 0.821 547 D CB -0.820 39.890 40.800 -0.150 0.000 1.201 547 D HN 0.361 nan 8.370 nan 0.000 0.525 548 G N 1.177 109.909 108.800 -0.114 0.000 2.233 548 G HA2 -0.373 3.588 3.960 0.001 0.000 0.270 548 G HA3 -0.373 3.588 3.960 0.001 0.000 0.270 548 G C 0.142 175.138 174.900 0.160 0.000 1.011 548 G CA 0.667 45.874 45.100 0.177 0.000 0.762 548 G HN 0.603 nan 8.290 nan 0.000 0.511 549 K N 0.286 120.760 120.400 0.125 0.000 2.227 549 K HA 0.547 4.867 4.320 0.001 0.000 0.280 549 K C 0.638 177.405 176.600 0.278 0.000 1.041 549 K CA -0.856 55.531 56.287 0.168 0.000 0.905 549 K CB 0.289 32.850 32.500 0.101 0.000 1.068 549 K HN 0.197 nan 8.250 nan 0.000 0.470 550 L N 5.236 126.640 121.223 0.302 0.000 2.367 550 L HA 0.264 4.604 4.340 0.001 0.000 0.275 550 L C 0.381 177.513 176.870 0.436 0.000 1.129 550 L CA -0.114 54.955 54.840 0.382 0.000 0.839 550 L CB 0.683 42.944 42.059 0.337 0.000 1.133 550 L HN 0.534 nan 8.230 nan 0.000 0.453 551 R N 1.605 122.317 120.500 0.355 0.000 2.445 551 R HA 0.246 4.586 4.340 0.001 0.000 0.308 551 R C -0.927 175.502 176.300 0.214 0.000 0.961 551 R CA -0.997 55.231 56.100 0.214 0.000 0.862 551 R CB 1.719 32.138 30.300 0.198 0.000 1.144 551 R HN 0.433 nan 8.270 nan 0.000 0.447 552 D N 2.844 123.256 120.400 0.021 0.000 2.383 552 D HA 0.020 4.661 4.640 0.001 0.000 0.252 552 D C 0.493 176.831 176.300 0.063 0.000 1.166 552 D CA 0.202 54.235 54.000 0.056 0.000 0.879 552 D CB 0.961 41.628 40.800 -0.221 0.000 1.164 552 D HN 0.360 nan 8.370 nan 0.000 0.462 553 M N 1.911 121.569 119.600 0.097 0.000 2.337 553 M HA 0.288 4.768 4.480 0.001 0.000 0.256 553 M C 0.761 177.083 176.300 0.037 0.000 1.075 553 M CA 0.026 55.363 55.300 0.061 0.000 1.024 553 M CB -0.059 32.578 32.600 0.063 0.000 1.429 553 M HN 0.547 nan 8.290 nan 0.000 0.497 554 G N 0.298 109.120 108.800 0.037 0.000 2.334 554 G HA2 0.173 4.134 3.960 0.001 0.000 0.566 554 G HA3 0.173 4.134 3.960 0.001 0.000 0.566 554 G C -1.997 172.912 174.900 0.015 0.000 1.413 554 G CA -0.656 44.434 45.100 -0.018 0.000 0.993 554 G HN 0.065 nan 8.290 nan 0.000 0.642 555 V N -0.253 119.646 119.914 -0.025 0.000 2.888 555 V HA 0.817 4.937 4.120 0.001 0.000 0.309 555 V C -0.956 175.119 176.094 -0.031 0.000 1.114 555 V CA -0.561 61.750 62.300 0.020 0.000 0.940 555 V CB 2.173 34.030 31.823 0.058 0.000 1.021 555 V HN 1.396 nan 8.190 nan 0.000 0.426 556 V N 5.822 125.762 119.914 0.043 0.000 2.525 556 V HA 0.643 4.763 4.120 0.001 0.000 0.299 556 V C 0.678 176.821 176.094 0.082 0.000 1.034 556 V CA 0.363 62.679 62.300 0.025 0.000 0.863 556 V CB 1.261 33.176 31.823 0.153 0.000 0.999 556 V HN 1.088 nan 8.190 nan 0.000 0.423 557 A N 4.184 126.951 122.820 -0.088 0.000 2.044 557 A HA 0.413 4.733 4.320 0.001 0.000 0.213 557 A C 0.721 177.968 177.584 -0.561 0.000 1.169 557 A CA 0.691 52.652 52.037 -0.126 0.000 0.724 557 A CB 0.273 19.203 19.000 -0.116 0.000 0.840 557 A HN 0.681 nan 8.150 nan 0.000 0.463 558 K N -1.717 118.132 120.400 -0.918 0.000 2.663 558 K HA 0.487 4.808 4.320 0.001 0.000 0.267 558 K C -2.248 173.789 176.600 -0.939 0.000 1.004 558 K CA 0.184 55.477 56.287 -1.657 0.000 0.947 558 K CB 1.164 33.055 32.500 -1.014 0.000 1.372 558 K HN 0.576 nan 8.250 nan 0.000 0.411 559 A N 3.433 125.746 122.820 -0.846 0.000 2.500 559 A HA 0.279 4.600 4.320 0.001 0.000 0.288 559 A C -1.381 176.232 177.584 0.049 0.000 1.045 559 A CA -0.793 51.109 52.037 -0.225 0.000 0.830 559 A CB 1.055 20.012 19.000 -0.071 0.000 1.337 559 A HN 0.687 nan 8.150 nan 0.000 0.400 560 N N 1.416 120.140 118.700 0.040 0.000 2.492 560 N HA 0.016 4.756 4.740 0.001 0.000 0.262 560 N C -0.603 174.986 175.510 0.131 0.000 1.202 560 N CA 0.444 53.561 53.050 0.111 0.000 0.926 560 N CB 1.006 39.528 38.487 0.057 0.000 1.078 560 N HN 0.622 nan 8.380 nan 0.000 0.454 561 D N 1.702 122.194 120.400 0.154 0.000 2.525 561 D HA 0.147 4.787 4.640 0.001 0.000 0.229 561 D C -1.035 175.316 176.300 0.086 0.000 1.202 561 D CA -0.278 53.803 54.000 0.136 0.000 0.828 561 D CB 0.051 40.946 40.800 0.160 0.000 1.008 561 D HN 0.409 nan 8.370 nan 0.000 0.493 562 D N 0.396 120.838 120.400 0.069 0.000 2.264 562 D HA 0.154 4.795 4.640 0.001 0.000 0.250 562 D C 1.588 177.910 176.300 0.037 0.000 1.113 562 D CA -0.290 53.738 54.000 0.046 0.000 0.871 562 D CB 1.634 42.458 40.800 0.039 0.000 1.167 562 D HN 0.277 nan 8.370 nan 0.000 0.447 563 I N -0.647 119.940 120.570 0.027 0.000 2.947 563 I HA 0.455 4.625 4.170 0.001 0.000 0.263 563 I C 0.957 177.083 176.117 0.016 0.000 1.130 563 I CA 0.071 61.384 61.300 0.022 0.000 1.448 563 I CB 0.321 38.331 38.000 0.017 0.000 1.222 563 I HN 0.430 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 0.001 0.000 0.244 564 G HA3 0.000 3.960 3.960 0.001 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