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 7gep_1_A DATA FIRST_RESID 81 DATA SEQUENCE LLRCRLPGGV ITTKQWQAID KFAGENTIYG SIRLTNRQTF QFHGILKKNV DATA SEQUENCE KPVHQMLHSV GLDALXXXND MNRNVLCTSN PYESQLHAEA YEWAKKISEH DATA SEQUENCE LLPRTXXXXX XXXXXXXXXX XXXEPILGQT YLPRKFKTTV VIPPQNDIDL DATA SEQUENCE HANDMNFVAI AENGKLVGFN LLVGGGLSIE HGNKKTYART ASEFGYLPLE DATA SEQUENCE HTLAVAEAVV TTQRDWGNRT DRKNAKTKYT LERVGVETFK AEVERRAGIK DATA SEQUENCE FEPIRPYEFT GRGDRIGWVK GIDDNWHLTL FIENGRILDY PARPLKTGLL DATA SEQUENCE EIAKIHKGDF RITANQNLII AGVPESEKAK IEKIAKESGL MNAVTPQREN DATA SEQUENCE SMACVSFPTC PLAMAEAERF LPSFIDNIDN LMAKHGVSDE HIVMRVTGCP DATA SEQUENCE NGCGRAMLAE VGLVGKAPGR YNLHLGGNRI GTRIPRMYKE NITEPEILAS DATA SEQUENCE LDELIGRWAK EREAGEGFGD FTVRAGIIRP VLDPARDLWD 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 81 L HA 0.000 nan 4.340 nan 0.000 0.249 81 L C 0.000 176.904 176.870 0.057 0.000 1.165 81 L CA 0.000 54.907 54.840 0.112 0.000 0.813 81 L CB 0.000 42.124 42.059 0.108 0.000 0.961 82 L N 4.528 125.759 121.223 0.013 0.000 2.436 82 L HA 0.714 5.054 4.340 0.000 0.000 0.268 82 L C -1.231 175.490 176.870 -0.249 0.000 0.974 82 L CA -0.192 54.617 54.840 -0.052 0.000 0.826 82 L CB 1.790 43.888 42.059 0.064 0.000 1.291 82 L HN 0.772 nan 8.230 nan 0.000 0.406 83 R N 3.714 124.030 120.500 -0.306 0.000 2.750 83 R HA 0.604 4.944 4.340 0.000 0.000 0.281 83 R C -1.630 174.349 176.300 -0.535 0.000 0.972 83 R CA -0.553 55.268 56.100 -0.465 0.000 0.912 83 R CB 1.867 31.987 30.300 -0.300 0.000 1.187 83 R HN 0.790 nan 8.270 nan 0.000 0.464 84 C N 2.328 121.126 119.300 -0.838 0.000 2.365 84 C HA 0.504 4.964 4.460 0.000 0.000 0.349 84 C C 0.067 174.829 174.990 -0.380 0.000 1.191 84 C CA -0.613 57.995 59.018 -0.685 0.000 2.114 84 C CB 1.029 28.049 27.740 -1.201 0.000 2.367 84 C HN 0.868 nan 8.230 nan 0.000 0.530 85 R N 3.157 123.533 120.500 -0.207 0.000 2.196 85 R HA 0.554 4.894 4.340 0.000 0.000 0.340 85 R C -1.437 174.833 176.300 -0.050 0.000 1.043 85 R CA -0.313 55.724 56.100 -0.105 0.000 0.883 85 R CB 0.347 30.610 30.300 -0.062 0.000 1.078 85 R HN 0.655 nan 8.270 nan 0.000 0.462 86 L N 7.815 129.027 121.223 -0.018 0.000 2.481 86 L HA 0.413 4.753 4.340 0.000 0.000 0.255 86 L C -2.482 174.447 176.870 0.098 0.000 1.192 86 L CA -2.028 52.852 54.840 0.066 0.000 0.924 86 L CB 1.709 43.829 42.059 0.101 0.000 1.179 86 L HN 0.543 nan 8.230 nan 0.000 0.491 87 P HA 0.150 nan 4.420 nan 0.000 0.261 87 P C 0.941 178.406 177.300 0.276 0.000 1.173 87 P CA 1.130 64.324 63.100 0.155 0.000 0.760 87 P CB 0.590 32.361 31.700 0.118 0.000 0.783 88 G N 3.329 112.262 108.800 0.223 0.000 2.200 88 G HA2 -0.245 3.715 3.960 0.000 0.000 0.267 88 G HA3 -0.245 3.715 3.960 0.000 0.000 0.267 88 G C 1.011 175.998 174.900 0.144 0.000 0.993 88 G CA 0.769 46.015 45.100 0.243 0.000 0.701 88 G HN 1.049 nan 8.290 nan 0.000 0.524 89 G N -2.539 106.335 108.800 0.123 0.000 2.166 89 G HA2 -0.086 3.874 3.960 0.000 0.000 0.260 89 G HA3 -0.086 3.874 3.960 0.000 0.000 0.260 89 G C 0.465 175.408 174.900 0.071 0.000 0.986 89 G CA 0.735 45.893 45.100 0.096 0.000 0.683 89 G HN 1.646 nan 8.290 nan 0.000 0.527 90 V N 1.221 121.144 119.914 0.016 0.000 2.455 90 V HA 0.612 4.732 4.120 0.000 0.000 0.273 90 V C 0.644 176.772 176.094 0.058 0.000 1.045 90 V CA 0.117 62.378 62.300 -0.064 0.000 0.976 90 V CB 1.521 33.110 31.823 -0.391 0.000 0.993 90 V HN 0.432 nan 8.190 nan 0.000 0.475 91 I N 4.739 125.365 120.570 0.093 0.000 2.619 91 I HA 0.556 4.726 4.170 0.000 0.000 0.292 91 I C 0.458 176.606 176.117 0.051 0.000 1.100 91 I CA -0.284 61.093 61.300 0.127 0.000 1.043 91 I CB 2.570 40.713 38.000 0.237 0.000 1.239 91 I HN 0.756 nan 8.210 nan 0.000 0.420 92 T N 1.396 115.957 114.554 0.012 0.000 2.849 92 T HA 0.182 4.532 4.350 0.000 0.000 0.284 92 T C 1.273 175.882 174.700 -0.151 0.000 1.004 92 T CA 0.215 62.270 62.100 -0.073 0.000 1.021 92 T CB 1.240 70.083 68.868 -0.042 0.000 1.013 92 T HN 0.772 nan 8.240 nan 0.000 0.527 93 T N -1.046 113.345 114.554 -0.272 0.000 2.833 93 T HA -0.101 4.249 4.350 0.000 0.000 0.269 93 T C 1.738 176.398 174.700 -0.066 0.000 1.054 93 T CA 1.137 63.044 62.100 -0.322 0.000 1.135 93 T CB -0.329 68.359 68.868 -0.299 0.000 0.869 93 T HN 0.740 nan 8.240 nan 0.000 0.466 94 K N 1.080 121.451 120.400 -0.048 0.000 2.025 94 K HA -0.095 4.225 4.320 0.000 0.000 0.207 94 K C 2.554 179.155 176.600 0.002 0.000 1.049 94 K CA 1.137 57.417 56.287 -0.012 0.000 0.933 94 K CB -0.159 32.330 32.500 -0.020 0.000 0.714 94 K HN 0.425 nan 8.250 nan 0.000 0.438 95 Q N -0.371 119.430 119.800 0.001 0.000 2.119 95 Q HA -0.184 4.156 4.340 0.000 0.000 0.201 95 Q C 1.850 177.829 176.000 -0.033 0.000 0.972 95 Q CA 1.399 57.198 55.803 -0.007 0.000 0.847 95 Q CB -0.211 28.537 28.738 0.015 0.000 0.903 95 Q HN 0.516 nan 8.270 nan 0.000 0.433 96 W N 1.842 123.057 121.300 -0.142 0.000 2.335 96 W HA -0.236 4.424 4.660 0.000 0.000 0.311 96 W C 1.539 178.017 176.519 -0.069 0.000 1.213 96 W CA 1.659 58.928 57.345 -0.127 0.000 1.274 96 W CB -0.084 29.299 29.460 -0.128 0.000 1.148 96 W HN 0.263 nan 8.180 nan 0.000 0.498 97 Q N -0.017 119.833 119.800 0.083 0.000 2.181 97 Q HA -0.178 4.162 4.340 0.000 0.000 0.205 97 Q C 2.439 178.406 176.000 -0.055 0.000 0.980 97 Q CA 1.853 57.680 55.803 0.040 0.000 0.862 97 Q CB -0.457 28.325 28.738 0.073 0.000 0.905 97 Q HN 0.283 nan 8.270 nan 0.000 0.429 98 A N 1.353 124.133 122.820 -0.067 0.000 1.897 98 A HA -0.137 4.183 4.320 0.000 0.000 0.215 98 A C 2.077 179.617 177.584 -0.073 0.000 1.181 98 A CA 1.194 53.202 52.037 -0.048 0.000 0.620 98 A CB -0.694 18.290 19.000 -0.027 0.000 0.821 98 A HN 0.540 nan 8.150 nan 0.000 0.443 99 I N -2.080 118.361 120.570 -0.215 0.000 2.439 99 I HA -0.121 4.049 4.170 0.000 0.000 0.251 99 I C 1.854 177.868 176.117 -0.171 0.000 1.139 99 I CA 2.343 63.531 61.300 -0.188 0.000 1.438 99 I CB -0.538 37.063 38.000 -0.666 0.000 1.085 99 I HN 0.267 nan 8.210 nan 0.000 0.427 100 D N 1.496 121.677 120.400 -0.365 0.000 2.144 100 D HA -0.261 4.380 4.640 0.000 0.000 0.199 100 D C 2.289 178.536 176.300 -0.088 0.000 0.984 100 D CA 1.537 55.397 54.000 -0.234 0.000 0.834 100 D CB -0.005 40.685 40.800 -0.183 0.000 0.955 100 D HN 0.397 nan 8.370 nan 0.000 0.465 101 K N -0.808 119.555 120.400 -0.062 0.000 2.001 101 K HA -0.169 4.151 4.320 0.000 0.000 0.208 101 K C 2.078 178.642 176.600 -0.060 0.000 1.048 101 K CA 1.048 57.312 56.287 -0.040 0.000 0.932 101 K CB -0.447 32.045 32.500 -0.012 0.000 0.715 101 K HN 0.185 nan 8.250 nan 0.000 0.437 102 F N 1.467 121.301 119.950 -0.193 0.000 2.069 102 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 102 F C 2.104 177.644 175.800 -0.432 0.000 1.113 102 F CA 1.829 59.645 58.000 -0.307 0.000 1.214 102 F CB -0.551 38.218 39.000 -0.384 0.000 0.978 102 F HN 0.163 nan 8.300 nan 0.000 0.474 103 A N 0.189 122.870 122.820 -0.231 0.000 1.917 103 A HA -0.132 4.188 4.320 0.000 0.000 0.219 103 A C 2.457 179.940 177.584 -0.167 0.000 1.182 103 A CA 1.885 53.795 52.037 -0.212 0.000 0.633 103 A CB -1.836 17.256 19.000 0.153 0.000 0.819 103 A HN 0.541 nan 8.150 nan 0.000 0.448 104 G N -0.959 107.758 108.800 -0.138 0.000 2.403 104 G HA2 -0.104 3.856 3.960 0.000 0.000 0.216 104 G HA3 -0.104 3.856 3.960 0.000 0.000 0.216 104 G C 1.484 176.283 174.900 -0.169 0.000 1.154 104 G CA 0.987 46.017 45.100 -0.117 0.000 0.784 104 G HN 0.651 nan 8.290 nan 0.000 0.538 105 E N 0.104 120.156 120.200 -0.246 0.000 2.099 105 E HA 0.028 4.378 4.350 0.000 0.000 0.191 105 E C 1.623 177.998 176.600 -0.375 0.000 0.962 105 E CA 0.364 56.605 56.400 -0.264 0.000 0.826 105 E CB 0.088 29.647 29.700 -0.234 0.000 0.788 105 E HN 0.420 nan 8.360 nan 0.000 0.461 106 N N 0.699 118.993 118.700 -0.677 0.000 2.314 106 N HA -0.003 4.737 4.740 0.000 0.000 0.200 106 N C -0.563 174.584 175.510 -0.605 0.000 1.135 106 N CA 0.210 52.752 53.050 -0.845 0.000 0.835 106 N CB 0.675 38.165 38.487 -1.662 0.000 0.989 106 N HN 0.051 nan 8.380 nan 0.000 0.478 107 T N -3.370 110.959 114.554 -0.375 0.000 2.893 107 T HA 0.420 4.770 4.350 0.000 0.000 0.291 107 T C 1.013 175.672 174.700 -0.068 0.000 1.028 107 T CA -0.801 61.220 62.100 -0.133 0.000 0.995 107 T CB 1.569 70.437 68.868 -0.000 0.000 1.051 107 T HN -0.147 nan 8.240 nan 0.000 0.470 108 I N 0.445 120.999 120.570 -0.026 0.000 2.163 108 I HA -0.162 4.008 4.170 0.000 0.000 0.243 108 I C 1.799 177.800 176.117 -0.194 0.000 1.085 108 I CA 1.695 62.909 61.300 -0.143 0.000 1.347 108 I CB -0.285 37.580 38.000 -0.224 0.000 1.044 108 I HN 0.720 nan 8.210 nan 0.000 0.408 109 Y N 0.502 120.835 120.300 0.055 0.000 2.395 109 Y HA 0.079 4.628 4.550 -0.000 0.000 0.293 109 Y C 1.995 177.918 175.900 0.038 0.000 1.123 109 Y CA 0.766 58.907 58.100 0.068 0.000 1.227 109 Y CB -0.561 37.981 38.460 0.137 0.000 1.012 109 Y HN 0.298 nan 8.280 nan 0.000 0.552 110 G N 0.796 109.685 108.800 0.149 0.000 2.225 110 G HA2 -0.287 3.673 3.960 0.000 0.000 0.267 110 G HA3 -0.287 3.673 3.960 0.000 0.000 0.267 110 G C 0.096 175.048 174.900 0.087 0.000 1.024 110 G CA 0.481 45.615 45.100 0.057 0.000 0.784 110 G HN 0.514 nan 8.290 nan 0.000 0.507 111 S N -1.285 114.521 115.700 0.177 0.000 2.677 111 S HA 0.847 5.317 4.470 0.000 0.000 0.304 111 S C -0.282 174.444 174.600 0.209 0.000 1.108 111 S CA -1.144 57.150 58.200 0.157 0.000 0.944 111 S CB 2.619 65.922 63.200 0.171 0.000 1.127 111 S HN 0.548 nan 8.310 nan 0.000 0.511 112 I N 1.352 122.011 120.570 0.149 0.000 2.378 112 I HA 0.503 4.673 4.170 0.000 0.000 0.291 112 I C -0.304 175.881 176.117 0.113 0.000 0.992 112 I CA -0.626 60.739 61.300 0.109 0.000 1.154 112 I CB 1.733 39.725 38.000 -0.015 0.000 1.315 112 I HN 0.573 nan 8.210 nan 0.000 0.448 113 R N 7.369 127.919 120.500 0.083 0.000 2.288 113 R HA 0.511 4.851 4.340 0.000 0.000 0.326 113 R C -1.442 174.903 176.300 0.074 0.000 0.959 113 R CA -0.425 55.731 56.100 0.094 0.000 0.834 113 R CB 0.534 30.914 30.300 0.134 0.000 1.157 113 R HN 0.568 nan 8.270 nan 0.000 0.470 114 L N 4.063 125.341 121.223 0.091 0.000 2.367 114 L HA 0.338 4.678 4.340 0.000 0.000 0.275 114 L C 0.879 177.776 176.870 0.045 0.000 1.129 114 L CA -0.401 54.494 54.840 0.091 0.000 0.839 114 L CB 1.036 43.144 42.059 0.081 0.000 1.133 114 L HN 0.774 nan 8.230 nan 0.000 0.453 115 T N -1.452 113.119 114.554 0.027 0.000 2.912 115 T HA 0.184 4.534 4.350 0.000 0.000 0.280 115 T C 0.809 175.510 174.700 0.001 0.000 0.989 115 T CA -0.819 61.283 62.100 0.004 0.000 0.995 115 T CB 1.139 69.992 68.868 -0.026 0.000 1.077 115 T HN 0.649 nan 8.240 nan 0.000 0.531 116 N N -0.198 118.498 118.700 -0.006 0.000 2.434 116 N HA 0.012 4.752 4.740 0.000 0.000 0.196 116 N C 0.807 176.308 175.510 -0.016 0.000 1.183 116 N CA -0.075 52.970 53.050 -0.009 0.000 0.849 116 N CB -0.227 38.255 38.487 -0.009 0.000 0.992 116 N HN 0.597 nan 8.380 nan 0.000 0.460 117 R N 0.253 120.742 120.500 -0.018 0.000 2.586 117 R HA 0.193 4.534 4.340 0.000 0.000 0.336 117 R C -0.401 175.894 176.300 -0.008 0.000 1.060 117 R CA -0.155 55.932 56.100 -0.022 0.000 1.079 117 R CB 0.015 30.294 30.300 -0.036 0.000 1.317 117 R HN 0.279 nan 8.270 nan 0.000 0.568 118 Q N -0.096 119.708 119.800 0.007 0.000 2.478 118 Q HA -0.198 4.142 4.340 0.000 0.000 0.286 118 Q C -0.258 175.771 176.000 0.047 0.000 1.299 118 Q CA 1.286 57.108 55.803 0.032 0.000 0.826 118 Q CB -1.278 27.485 28.738 0.041 0.000 1.199 118 Q HN 0.343 nan 8.270 nan 0.000 0.451 119 T N -1.482 113.090 114.554 0.029 0.000 2.647 119 T HA 0.792 5.142 4.350 0.000 0.000 0.295 119 T C -1.620 173.108 174.700 0.046 0.000 1.126 119 T CA -0.523 61.584 62.100 0.013 0.000 1.040 119 T CB 1.164 69.947 68.868 -0.142 0.000 1.472 119 T HN 0.300 nan 8.240 nan 0.000 0.500 120 F N 0.097 119.966 119.950 -0.136 0.000 2.598 120 F HA 0.891 5.418 4.527 -0.000 0.000 0.327 120 F C -0.410 175.179 175.800 -0.352 0.000 1.057 120 F CA -0.978 56.887 58.000 -0.225 0.000 0.957 120 F CB 1.317 40.144 39.000 -0.288 0.000 1.278 120 F HN 0.488 nan 8.300 nan 0.000 0.484 121 Q N 0.821 120.476 119.800 -0.242 0.000 2.421 121 Q HA 0.523 4.863 4.340 0.000 0.000 0.280 121 Q C -1.993 173.759 176.000 -0.412 0.000 1.085 121 Q CA -0.871 54.681 55.803 -0.418 0.000 0.807 121 Q CB 3.146 31.650 28.738 -0.389 0.000 1.405 121 Q HN 0.620 nan 8.270 nan 0.000 0.419 122 F N 0.308 120.143 119.950 -0.191 0.000 2.522 122 F HA 0.448 4.975 4.527 -0.000 0.000 0.324 122 F C -0.315 175.343 175.800 -0.237 0.000 1.077 122 F CA -0.543 57.409 58.000 -0.079 0.000 0.944 122 F CB 1.553 40.617 39.000 0.107 0.000 1.175 122 F HN 0.462 nan 8.300 nan 0.000 0.468 123 H N -0.516 118.759 119.070 0.342 0.000 2.609 123 H HA 0.527 5.083 4.556 0.000 0.000 0.344 123 H C 0.219 175.791 175.328 0.407 0.000 1.040 123 H CA -0.463 55.729 56.048 0.240 0.000 1.216 123 H CB 1.739 31.484 29.762 -0.027 0.000 1.529 123 H HN 0.819 nan 8.280 nan 0.000 0.519 124 G N 3.567 112.643 108.800 0.461 0.000 2.370 124 G HA2 -0.228 3.732 3.960 0.000 0.000 0.268 124 G HA3 -0.228 3.732 3.960 0.000 0.000 0.268 124 G C -0.317 174.703 174.900 0.199 0.000 1.122 124 G CA -0.454 44.850 45.100 0.339 0.000 0.963 124 G HN 0.561 nan 8.290 nan 0.000 0.500 125 I N 1.216 121.905 120.570 0.199 0.000 2.371 125 I HA 0.207 4.377 4.170 0.000 0.000 0.290 125 I C 0.849 177.032 176.117 0.111 0.000 1.028 125 I CA -1.024 60.373 61.300 0.162 0.000 1.345 125 I CB 0.822 38.968 38.000 0.244 0.000 1.407 125 I HN -0.013 nan 8.210 nan 0.000 0.501 126 L N 6.656 127.910 121.223 0.052 0.000 2.410 126 L HA 0.047 4.387 4.340 0.000 0.000 0.273 126 L C 1.550 178.457 176.870 0.062 0.000 1.152 126 L CA 0.372 55.234 54.840 0.036 0.000 0.855 126 L CB 0.000 42.053 42.059 -0.010 0.000 1.129 126 L HN 0.675 nan 8.230 nan 0.000 0.463 127 K N 2.704 123.139 120.400 0.059 0.000 2.293 127 K HA -0.202 4.118 4.320 0.000 0.000 0.204 127 K C 1.477 178.113 176.600 0.060 0.000 1.045 127 K CA 1.652 57.977 56.287 0.064 0.000 0.933 127 K CB 0.250 32.779 32.500 0.048 0.000 0.736 127 K HN 0.529 nan 8.250 nan 0.000 0.463 128 K N -0.333 120.094 120.400 0.046 0.000 2.167 128 K HA -0.008 4.312 4.320 0.000 0.000 0.203 128 K C 1.245 177.885 176.600 0.067 0.000 1.052 128 K CA 1.043 57.354 56.287 0.040 0.000 0.956 128 K CB 0.019 32.529 32.500 0.017 0.000 0.735 128 K HN 0.148 nan 8.250 nan 0.000 0.451 129 N N 0.888 119.640 118.700 0.086 0.000 2.461 129 N HA -0.024 4.716 4.740 0.000 0.000 0.188 129 N C 1.388 177.054 175.510 0.260 0.000 1.134 129 N CA 0.335 53.484 53.050 0.166 0.000 0.878 129 N CB 0.314 38.862 38.487 0.102 0.000 0.972 129 N HN -0.057 nan 8.380 nan 0.000 0.456 130 V N 0.839 120.869 119.914 0.192 0.000 2.626 130 V HA -0.150 3.970 4.120 0.000 0.000 0.252 130 V C 2.235 178.480 176.094 0.252 0.000 1.067 130 V CA 1.437 63.868 62.300 0.218 0.000 1.081 130 V CB -0.197 31.721 31.823 0.159 0.000 0.686 130 V HN 0.255 nan 8.190 nan 0.000 0.468 131 K N 0.022 120.521 120.400 0.165 0.000 2.029 131 K HA 0.009 4.329 4.320 0.000 0.000 0.205 131 K C -0.239 176.455 176.600 0.157 0.000 1.042 131 K CA 1.070 57.434 56.287 0.128 0.000 0.949 131 K CB -1.012 31.527 32.500 0.065 0.000 0.740 131 K HN 0.390 nan 8.250 nan 0.000 0.442 132 P HA -0.154 nan 4.420 nan 0.000 0.221 132 P C 1.504 178.887 177.300 0.138 0.000 1.145 132 P CA 0.978 64.179 63.100 0.168 0.000 0.795 132 P CB 0.052 31.870 31.700 0.197 0.000 0.775 133 V N 0.105 120.063 119.914 0.073 0.000 2.323 133 V HA -0.202 3.918 4.120 0.000 0.000 0.244 133 V C 2.540 178.486 176.094 -0.247 0.000 1.041 133 V CA 1.741 63.797 62.300 -0.405 0.000 1.025 133 V CB -1.117 30.367 31.823 -0.565 0.000 0.656 133 V HN 0.157 nan 8.190 nan 0.000 0.451 134 H N -0.503 118.526 119.070 -0.067 0.000 2.389 134 H HA -0.135 4.421 4.556 -0.000 0.000 0.299 134 H C 2.376 177.716 175.328 0.020 0.000 1.081 134 H CA 1.969 58.005 56.048 -0.021 0.000 1.345 134 H CB 0.042 29.799 29.762 -0.010 0.000 1.393 134 H HN 0.560 nan 8.280 nan 0.000 0.520 135 Q N -0.066 119.816 119.800 0.137 0.000 2.050 135 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 135 Q C 2.528 178.591 176.000 0.106 0.000 0.980 135 Q CA 1.005 56.878 55.803 0.117 0.000 0.840 135 Q CB -0.037 28.756 28.738 0.090 0.000 0.898 135 Q HN 0.294 nan 8.270 nan 0.000 0.424 136 M N 0.849 120.477 119.600 0.047 0.000 2.117 136 M HA -0.165 4.315 4.480 0.000 0.000 0.262 136 M C 1.865 178.172 176.300 0.012 0.000 1.065 136 M CA 1.601 56.913 55.300 0.021 0.000 1.114 136 M CB -0.471 32.114 32.600 -0.025 0.000 1.361 136 M HN 0.258 nan 8.290 nan 0.000 0.408 137 L N -1.030 120.189 121.223 -0.008 0.000 2.017 137 L HA -0.261 4.079 4.340 0.000 0.000 0.208 137 L C 2.868 179.767 176.870 0.049 0.000 1.073 137 L CA 1.577 56.428 54.840 0.019 0.000 0.745 137 L CB -1.285 40.763 42.059 -0.019 0.000 0.894 137 L HN 0.463 nan 8.230 nan 0.000 0.432 138 H N 0.350 119.427 119.070 0.012 0.000 2.353 138 H HA -0.140 4.416 4.556 0.000 0.000 0.300 138 H C 2.373 177.713 175.328 0.020 0.000 1.090 138 H CA 1.808 57.869 56.048 0.022 0.000 1.327 138 H CB 0.262 30.043 29.762 0.032 0.000 1.383 138 H HN 0.395 nan 8.280 nan 0.000 0.508 139 S N 0.583 116.312 115.700 0.050 0.000 2.419 139 S HA -0.118 4.352 4.470 0.000 0.000 0.235 139 S C 1.969 176.532 174.600 -0.061 0.000 1.019 139 S CA 1.331 59.536 58.200 0.008 0.000 0.982 139 S CB -0.922 62.311 63.200 0.055 0.000 0.789 139 S HN 0.342 nan 8.310 nan 0.000 0.490 140 V N -2.251 117.629 119.914 -0.057 0.000 3.444 140 V HA 0.703 4.823 4.120 0.000 0.000 0.308 140 V C 1.231 177.283 176.094 -0.071 0.000 1.371 140 V CA -0.240 62.030 62.300 -0.049 0.000 1.141 140 V CB -0.999 30.813 31.823 -0.018 0.000 1.037 140 V HN 0.723 nan 8.190 nan 0.000 0.433 141 G N 0.604 109.312 108.800 -0.154 0.000 2.198 141 G HA2 -0.186 3.774 3.960 0.000 0.000 0.257 141 G HA3 -0.186 3.774 3.960 0.000 0.000 0.257 141 G C -0.517 174.344 174.900 -0.066 0.000 1.042 141 G CA 0.522 45.530 45.100 -0.154 0.000 0.791 141 G HN 0.478 nan 8.290 nan 0.000 0.502 142 L N 0.255 121.456 121.223 -0.036 0.000 2.286 142 L HA 0.929 5.269 4.340 0.000 0.000 0.265 142 L C 0.031 176.920 176.870 0.031 0.000 1.012 142 L CA -0.564 54.290 54.840 0.024 0.000 0.818 142 L CB 2.023 44.125 42.059 0.073 0.000 1.337 142 L HN 0.570 nan 8.230 nan 0.000 0.438 143 D N -0.911 119.499 120.400 0.016 0.000 2.622 143 D HA 0.572 5.212 4.640 0.000 0.000 0.255 143 D C -0.965 175.303 176.300 -0.053 0.000 1.246 143 D CA -0.459 53.549 54.000 0.014 0.000 0.795 143 D CB 1.440 42.269 40.800 0.048 0.000 1.369 143 D HN 0.526 nan 8.370 nan 0.000 0.425 144 A N 0.437 123.224 122.820 -0.056 0.000 2.535 144 A HA 0.364 4.684 4.320 0.000 0.000 0.273 144 A C 0.191 177.741 177.584 -0.056 0.000 1.267 144 A CA -0.303 51.670 52.037 -0.107 0.000 0.940 144 A CB -0.376 18.535 19.000 -0.148 0.000 1.101 144 A HN 0.438 nan 8.150 nan 0.000 0.521 150 D N 1.068 121.471 120.400 0.004 0.000 2.977 150 D HA 0.187 4.827 4.640 0.000 0.000 0.241 150 D C -0.005 176.296 176.300 0.002 0.000 1.206 150 D CA 0.655 54.675 54.000 0.033 0.000 0.902 150 D CB 0.014 40.859 40.800 0.075 0.000 1.131 150 D HN 0.378 nan 8.370 nan 0.000 0.447 151 M N -0.657 118.921 119.600 -0.038 0.000 2.758 151 M HA 0.177 4.657 4.480 0.000 0.000 0.281 151 M C 0.564 176.877 176.300 0.022 0.000 1.082 151 M CA -0.847 54.409 55.300 -0.073 0.000 0.866 151 M CB 1.341 33.841 32.600 -0.167 0.000 1.662 151 M HN -0.222 nan 8.290 nan 0.000 0.515 152 N N 0.968 119.678 118.700 0.017 0.000 2.458 152 N HA 0.136 4.876 4.740 0.000 0.000 0.270 152 N C -0.902 174.635 175.510 0.045 0.000 1.102 152 N CA -0.384 52.728 53.050 0.103 0.000 0.967 152 N CB 0.762 39.301 38.487 0.086 0.000 1.078 152 N HN 0.362 nan 8.380 nan 0.000 0.471 153 R N 1.997 122.527 120.500 0.051 0.000 2.531 153 R HA 0.132 4.472 4.340 0.000 0.000 0.260 153 R C -0.033 176.268 176.300 0.002 0.000 1.144 153 R CA -0.696 55.406 56.100 0.004 0.000 1.171 153 R CB -0.410 29.882 30.300 -0.012 0.000 1.199 153 R HN 0.622 nan 8.270 nan 0.000 0.594 154 N N 0.040 118.728 118.700 -0.021 0.000 2.315 154 N HA -0.069 4.671 4.740 0.000 0.000 0.270 154 N C -0.827 174.689 175.510 0.009 0.000 1.329 154 N CA 0.319 53.361 53.050 -0.012 0.000 0.860 154 N CB 0.316 38.786 38.487 -0.029 0.000 1.095 154 N HN 0.182 nan 8.380 nan 0.000 0.487 155 V N 5.607 125.539 119.914 0.030 0.000 2.439 155 V HA 0.076 4.196 4.120 0.000 0.000 0.271 155 V C 0.772 176.897 176.094 0.051 0.000 1.040 155 V CA -0.278 62.049 62.300 0.045 0.000 1.002 155 V CB -0.059 31.799 31.823 0.057 0.000 1.000 155 V HN 0.466 nan 8.190 nan 0.000 0.477 156 L N 4.549 125.795 121.223 0.038 0.000 2.439 156 L HA 0.587 4.927 4.340 0.000 0.000 0.261 156 L C 0.033 176.948 176.870 0.075 0.000 1.153 156 L CA -0.202 54.666 54.840 0.047 0.000 0.808 156 L CB 1.291 43.357 42.059 0.012 0.000 1.126 156 L HN 0.721 nan 8.230 nan 0.000 0.460 157 C N 0.477 119.838 119.300 0.101 0.000 2.811 157 C HA 0.307 4.767 4.460 0.000 0.000 0.352 157 C C 0.273 175.351 174.990 0.146 0.000 1.098 157 C CA -0.464 58.634 59.018 0.133 0.000 1.295 157 C CB 1.250 29.096 27.740 0.178 0.000 1.758 157 C HN 0.888 nan 8.230 nan 0.000 0.488 158 T N 5.206 119.844 114.554 0.140 0.000 2.709 158 T HA 0.003 4.353 4.350 0.000 0.000 0.269 158 T C 1.373 176.180 174.700 0.179 0.000 1.008 158 T CA 0.953 63.130 62.100 0.128 0.000 1.194 158 T CB 0.571 69.524 68.868 0.142 0.000 0.986 158 T HN 0.858 nan 8.240 nan 0.000 0.508 159 S N 2.792 118.526 115.700 0.057 0.000 2.436 159 S HA -0.009 4.461 4.470 0.000 0.000 0.228 159 S C 1.188 175.641 174.600 -0.244 0.000 1.014 159 S CA 0.270 58.436 58.200 -0.056 0.000 0.950 159 S CB -0.001 63.147 63.200 -0.086 0.000 0.784 159 S HN 0.706 nan 8.310 nan 0.000 0.504 160 N N 1.117 119.717 118.700 -0.167 0.000 2.732 160 N HA 0.253 4.993 4.740 0.000 0.000 0.235 160 N C -3.265 172.140 175.510 -0.175 0.000 1.466 160 N CA -1.576 51.349 53.050 -0.209 0.000 0.751 160 N CB 1.038 39.412 38.487 -0.189 0.000 1.317 160 N HN 0.040 nan 8.380 nan 0.000 0.525 161 P HA 0.075 nan 4.420 nan 0.000 0.271 161 P C 0.653 177.922 177.300 -0.052 0.000 1.218 161 P CA -0.131 62.937 63.100 -0.054 0.000 0.780 161 P CB 1.049 32.809 31.700 0.101 0.000 0.901 162 Y N -0.045 120.309 120.300 0.090 0.000 2.165 162 Y HA -0.151 4.399 4.550 0.000 0.000 0.286 162 Y C 1.670 177.606 175.900 0.061 0.000 1.155 162 Y CA 1.560 59.702 58.100 0.071 0.000 1.164 162 Y CB -0.500 38.001 38.460 0.069 0.000 0.978 162 Y HN 0.314 nan 8.280 nan 0.000 0.513 163 E N 0.574 120.906 120.200 0.220 0.000 1.932 163 E HA 0.130 4.480 4.350 0.000 0.000 0.259 163 E C 1.011 177.687 176.600 0.127 0.000 1.099 163 E CA -0.042 56.444 56.400 0.144 0.000 0.970 163 E CB 0.744 30.519 29.700 0.125 0.000 1.143 163 E HN 0.227 nan 8.360 nan 0.000 0.441 164 S N 2.413 118.180 115.700 0.112 0.000 2.413 164 S HA -0.269 4.201 4.470 0.000 0.000 0.237 164 S C 1.808 176.493 174.600 0.142 0.000 1.044 164 S CA 1.549 59.823 58.200 0.124 0.000 1.024 164 S CB 0.018 63.283 63.200 0.108 0.000 0.829 164 S HN 0.589 nan 8.310 nan 0.000 0.475 165 Q N 1.139 121.006 119.800 0.113 0.000 2.224 165 Q HA -0.030 4.310 4.340 0.000 0.000 0.203 165 Q C 1.909 177.988 176.000 0.131 0.000 0.970 165 Q CA 1.142 57.011 55.803 0.111 0.000 0.865 165 Q CB -0.723 28.061 28.738 0.077 0.000 0.922 165 Q HN 0.499 nan 8.270 nan 0.000 0.445 166 L N 0.537 121.842 121.223 0.137 0.000 2.362 166 L HA -0.132 4.208 4.340 0.000 0.000 0.219 166 L C 2.800 179.772 176.870 0.171 0.000 1.134 166 L CA 1.035 55.959 54.840 0.139 0.000 0.807 166 L CB -0.791 41.347 42.059 0.132 0.000 0.927 166 L HN 0.414 nan 8.230 nan 0.000 0.447 167 H N 0.614 119.752 119.070 0.113 0.000 2.352 167 H HA -0.202 4.354 4.556 0.000 0.000 0.299 167 H C 2.122 177.558 175.328 0.180 0.000 1.097 167 H CA 1.648 57.772 56.048 0.126 0.000 1.311 167 H CB 0.396 30.201 29.762 0.072 0.000 1.377 167 H HN 0.352 nan 8.280 nan 0.000 0.504 168 A N 1.464 124.370 122.820 0.143 0.000 1.892 168 A HA -0.238 4.082 4.320 0.000 0.000 0.218 168 A C 2.306 179.939 177.584 0.082 0.000 1.188 168 A CA 2.154 54.270 52.037 0.132 0.000 0.631 168 A CB -0.564 18.521 19.000 0.142 0.000 0.822 168 A HN 0.821 nan 8.150 nan 0.000 0.447 169 E N -0.538 119.719 120.200 0.095 0.000 2.299 169 E HA 0.211 4.561 4.350 0.000 0.000 0.193 169 E C 1.911 178.653 176.600 0.235 0.000 0.998 169 E CA 0.673 57.153 56.400 0.132 0.000 0.851 169 E CB -0.277 29.521 29.700 0.163 0.000 0.795 169 E HN 0.499 nan 8.360 nan 0.000 0.492 170 A N 1.367 124.290 122.820 0.171 0.000 1.872 170 A HA -0.150 4.170 4.320 0.000 0.000 0.214 170 A C 2.076 179.739 177.584 0.132 0.000 1.187 170 A CA 1.165 53.334 52.037 0.221 0.000 0.614 170 A CB -0.856 18.238 19.000 0.157 0.000 0.826 170 A HN 0.420 nan 8.150 nan 0.000 0.442 171 Y N 1.795 121.989 120.300 -0.177 0.000 2.181 171 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 171 Y C 2.341 178.190 175.900 -0.085 0.000 1.146 171 Y CA 2.017 59.991 58.100 -0.210 0.000 1.164 171 Y CB -0.475 37.735 38.460 -0.417 0.000 0.982 171 Y HN 0.639 nan 8.280 nan 0.000 0.515 172 E N -1.616 118.370 120.200 -0.356 0.000 2.153 172 E HA -0.251 4.099 4.350 0.000 0.000 0.194 172 E C 1.933 178.257 176.600 -0.460 0.000 0.988 172 E CA 1.498 57.608 56.400 -0.482 0.000 0.811 172 E CB -1.106 28.387 29.700 -0.345 0.000 0.746 172 E HN 0.604 nan 8.360 nan 0.000 0.466 173 W N 1.141 122.347 121.300 -0.157 0.000 2.418 173 W HA 0.155 4.814 4.660 -0.000 0.000 0.292 173 W C 2.719 179.123 176.519 -0.191 0.000 1.213 173 W CA 1.039 58.311 57.345 -0.121 0.000 1.283 173 W CB -0.045 29.447 29.460 0.053 0.000 1.119 173 W HN 0.218 nan 8.180 nan 0.000 0.542 174 A N 0.176 123.017 122.820 0.036 0.000 1.902 174 A HA -0.223 4.097 4.320 0.000 0.000 0.217 174 A C 1.906 179.446 177.584 -0.074 0.000 1.181 174 A CA 1.888 53.923 52.037 -0.004 0.000 0.623 174 A CB -0.725 18.308 19.000 0.055 0.000 0.818 174 A HN 0.284 nan 8.150 nan 0.000 0.443 175 K N -0.180 120.086 120.400 -0.222 0.000 2.097 175 K HA -0.136 4.184 4.320 0.000 0.000 0.205 175 K C 2.011 178.502 176.600 -0.182 0.000 1.050 175 K CA 1.580 57.720 56.287 -0.245 0.000 0.938 175 K CB -0.134 32.077 32.500 -0.481 0.000 0.718 175 K HN 0.454 nan 8.250 nan 0.000 0.442 176 K N 0.378 120.641 120.400 -0.230 0.000 2.025 176 K HA -0.071 4.250 4.320 0.000 0.000 0.207 176 K C 2.099 178.668 176.600 -0.052 0.000 1.049 176 K CA 1.407 57.573 56.287 -0.202 0.000 0.933 176 K CB -0.105 32.150 32.500 -0.409 0.000 0.714 176 K HN 0.138 nan 8.250 nan 0.000 0.438 177 I N 0.640 121.203 120.570 -0.013 0.000 2.208 177 I HA -0.314 3.856 4.170 0.000 0.000 0.245 177 I C 2.634 178.792 176.117 0.069 0.000 1.097 177 I CA 1.004 62.327 61.300 0.037 0.000 1.363 177 I CB -0.355 37.629 38.000 -0.027 0.000 1.051 177 I HN 0.164 nan 8.210 nan 0.000 0.413 178 S N 0.571 116.287 115.700 0.026 0.000 2.353 178 S HA -0.254 4.216 4.470 0.000 0.000 0.222 178 S C 1.938 176.547 174.600 0.015 0.000 1.035 178 S CA 1.944 60.158 58.200 0.024 0.000 1.025 178 S CB -0.194 63.008 63.200 0.004 0.000 0.902 178 S HN 0.440 nan 8.310 nan 0.000 0.440 179 E N -0.845 119.357 120.200 0.002 0.000 2.106 179 E HA -0.130 4.220 4.350 0.000 0.000 0.192 179 E C 1.951 178.566 176.600 0.026 0.000 0.984 179 E CA 1.143 57.542 56.400 -0.001 0.000 0.806 179 E CB -0.191 29.495 29.700 -0.023 0.000 0.750 179 E HN 0.732 nan 8.360 nan 0.000 0.458 180 H N 0.076 119.125 119.070 -0.036 0.000 2.457 180 H HA 0.031 4.587 4.556 0.000 0.000 0.294 180 H C 1.408 176.726 175.328 -0.017 0.000 1.064 180 H CA 1.043 57.078 56.048 -0.022 0.000 1.330 180 H CB 0.158 29.914 29.762 -0.009 0.000 1.395 180 H HN 0.075 nan 8.280 nan 0.000 0.541 181 L N 0.089 121.307 121.223 -0.010 0.000 2.592 181 L HA 0.109 4.449 4.340 0.000 0.000 0.227 181 L C 0.010 176.827 176.870 -0.089 0.000 1.127 181 L CA -0.440 54.360 54.840 -0.067 0.000 0.884 181 L CB 0.095 42.166 42.059 0.019 0.000 1.065 181 L HN 0.157 nan 8.230 nan 0.000 0.457 182 L N 2.027 123.202 121.223 -0.079 0.000 2.439 182 L HA 0.222 4.562 4.340 0.000 0.000 0.269 182 L C -1.795 175.020 176.870 -0.092 0.000 1.179 182 L CA -1.564 53.229 54.840 -0.078 0.000 0.828 182 L CB 0.072 42.100 42.059 -0.052 0.000 1.106 182 L HN -0.156 nan 8.230 nan 0.000 0.467 183 P HA 0.101 nan 4.420 nan 0.000 0.271 183 P C -0.435 176.854 177.300 -0.018 0.000 1.220 183 P CA -0.363 62.696 63.100 -0.068 0.000 0.768 183 P CB 0.502 32.104 31.700 -0.164 0.000 0.848 184 R N 1.072 121.578 120.500 0.010 0.000 2.343 184 R HA 0.083 4.423 4.340 0.000 0.000 0.202 184 R C 0.692 177.007 176.300 0.025 0.000 1.023 184 R CA 0.361 56.465 56.100 0.007 0.000 1.084 184 R CB -1.234 29.065 30.300 -0.000 0.000 0.956 184 R HN 0.475 nan 8.270 nan 0.000 0.478 205 P HA 0.042 nan 4.420 nan 0.000 0.220 205 P C 1.246 178.523 177.300 -0.039 0.000 1.148 205 P CA 0.863 63.946 63.100 -0.028 0.000 0.803 205 P CB 0.451 32.132 31.700 -0.032 0.000 0.782 206 I N -2.640 117.897 120.570 -0.055 0.000 2.899 206 I HA -0.036 4.134 4.170 0.000 0.000 0.257 206 I C 1.753 177.838 176.117 -0.053 0.000 1.115 206 I CA 0.376 61.629 61.300 -0.077 0.000 1.451 206 I CB -0.557 37.355 38.000 -0.146 0.000 1.251 206 I HN -0.206 nan 8.210 nan 0.000 0.456 207 L N 1.039 122.259 121.223 -0.004 0.000 2.156 207 L HA 0.175 4.515 4.340 0.000 0.000 0.208 207 L C 1.042 177.998 176.870 0.142 0.000 1.095 207 L CA 1.227 56.117 54.840 0.084 0.000 0.770 207 L CB -1.014 41.151 42.059 0.176 0.000 0.914 207 L HN 0.454 nan 8.230 nan 0.000 0.439 208 G N -1.619 107.227 108.800 0.078 0.000 2.712 208 G HA2 -0.253 3.707 3.960 0.000 0.000 0.686 208 G HA3 -0.253 3.707 3.960 0.000 0.000 0.686 208 G C 0.117 174.942 174.900 -0.124 0.000 1.321 208 G CA -0.025 45.074 45.100 -0.003 0.000 0.813 208 G HN 0.061 nan 8.290 nan 0.000 0.599 209 Q N -0.532 119.155 119.800 -0.188 0.000 2.079 209 Q HA 0.045 4.385 4.340 0.000 0.000 0.200 209 Q C 2.834 178.551 176.000 -0.472 0.000 0.974 209 Q CA 2.592 58.195 55.803 -0.334 0.000 0.840 209 Q CB -0.195 28.430 28.738 -0.189 0.000 0.898 209 Q HN 0.733 nan 8.270 nan 0.000 0.430 210 T N 0.011 114.414 114.554 -0.251 0.000 3.148 210 T HA 0.043 4.393 4.350 0.000 0.000 0.253 210 T C -0.409 174.257 174.700 -0.057 0.000 1.134 210 T CA 0.125 62.130 62.100 -0.159 0.000 1.051 210 T CB -0.124 68.711 68.868 -0.055 0.000 0.959 210 T HN 0.161 nan 8.240 nan 0.000 0.525 211 Y N -0.182 120.114 120.300 -0.007 0.000 2.896 211 Y HA -0.264 4.286 4.550 -0.000 0.000 0.466 211 Y C 0.414 176.311 175.900 -0.005 0.000 1.197 211 Y CA -0.576 57.517 58.100 -0.011 0.000 2.513 211 Y CB -1.392 37.065 38.460 -0.005 0.000 1.232 211 Y HN 0.140 nan 8.280 nan 0.000 0.632 212 L N 1.637 122.992 121.223 0.220 0.000 2.330 212 L HA 0.319 4.659 4.340 0.000 0.000 0.271 212 L C -1.668 175.277 176.870 0.125 0.000 1.013 212 L CA -1.844 53.073 54.840 0.129 0.000 0.816 212 L CB 1.802 43.919 42.059 0.097 0.000 1.287 212 L HN 0.188 nan 8.230 nan 0.000 0.435 213 P HA -0.064 nan 4.420 nan 0.000 0.216 213 P C -0.149 177.212 177.300 0.103 0.000 1.150 213 P CA 1.138 64.303 63.100 0.108 0.000 0.837 213 P CB 0.266 32.040 31.700 0.125 0.000 0.786 214 R N -1.646 118.927 120.500 0.123 0.000 2.810 214 R HA 0.320 4.660 4.340 0.000 0.000 0.266 214 R C -1.010 175.363 176.300 0.123 0.000 1.061 214 R CA -1.065 55.099 56.100 0.107 0.000 0.943 214 R CB 0.802 31.167 30.300 0.109 0.000 1.237 214 R HN -0.199 nan 8.270 nan 0.000 0.459 215 K N 0.612 121.067 120.400 0.091 0.000 2.382 215 K HA 0.238 4.558 4.320 0.000 0.000 0.275 215 K C -0.895 175.790 176.600 0.141 0.000 1.009 215 K CA 0.068 56.409 56.287 0.091 0.000 0.970 215 K CB 0.527 33.049 32.500 0.038 0.000 0.934 215 K HN 0.302 nan 8.250 nan 0.000 0.479 216 F N 1.893 121.837 119.950 -0.010 0.000 2.467 216 F HA 0.366 4.893 4.527 -0.000 0.000 0.336 216 F C -0.785 175.001 175.800 -0.024 0.000 1.123 216 F CA -0.686 57.307 58.000 -0.011 0.000 0.964 216 F CB 1.695 40.695 39.000 0.000 0.000 1.136 216 F HN 0.467 nan 8.300 nan 0.000 0.447 217 K N 4.168 124.349 120.400 -0.366 0.000 2.292 217 K HA 0.632 4.952 4.320 0.000 0.000 0.257 217 K C -1.020 175.406 176.600 -0.290 0.000 0.940 217 K CA -0.798 55.355 56.287 -0.224 0.000 0.811 217 K CB 2.177 34.564 32.500 -0.187 0.000 1.120 217 K HN 0.556 nan 8.250 nan 0.000 0.428 218 T N 0.788 115.286 114.554 -0.093 0.000 2.906 218 T HA 0.564 4.914 4.350 0.000 0.000 0.295 218 T C -0.626 174.067 174.700 -0.011 0.000 1.061 218 T CA -0.852 61.226 62.100 -0.036 0.000 1.000 218 T CB 1.868 70.824 68.868 0.146 0.000 1.103 218 T HN 0.761 nan 8.240 nan 0.000 0.486 219 T N -1.719 112.833 114.554 -0.004 0.000 2.868 219 T HA 0.724 5.074 4.350 0.000 0.000 0.306 219 T C -1.429 173.309 174.700 0.064 0.000 1.224 219 T CA -0.722 61.385 62.100 0.012 0.000 1.012 219 T CB 1.321 70.161 68.868 -0.047 0.000 1.221 219 T HN 0.373 nan 8.240 nan 0.000 0.499 220 V N 1.957 121.914 119.914 0.071 0.000 2.444 220 V HA 0.617 4.737 4.120 0.000 0.000 0.294 220 V C -0.401 175.767 176.094 0.124 0.000 1.022 220 V CA -0.682 61.676 62.300 0.097 0.000 0.850 220 V CB 1.475 33.361 31.823 0.104 0.000 0.992 220 V HN 0.930 nan 8.190 nan 0.000 0.426 221 V N 5.965 125.971 119.914 0.152 0.000 2.513 221 V HA 0.558 4.678 4.120 0.000 0.000 0.299 221 V C -0.213 176.029 176.094 0.247 0.000 1.035 221 V CA -0.584 61.824 62.300 0.179 0.000 0.889 221 V CB 2.075 34.013 31.823 0.190 0.000 0.988 221 V HN 0.689 nan 8.190 nan 0.000 0.440 222 I N 5.505 126.223 120.570 0.248 0.000 2.405 222 I HA 0.354 4.524 4.170 0.000 0.000 0.280 222 I C -2.486 173.808 176.117 0.296 0.000 1.027 222 I CA -1.832 59.613 61.300 0.242 0.000 1.161 222 I CB 1.829 39.951 38.000 0.204 0.000 1.300 222 I HN 0.398 nan 8.210 nan 0.000 0.463 223 P HA 0.056 nan 4.420 nan 0.000 0.270 223 P C -1.919 175.551 177.300 0.284 0.000 1.223 223 P CA -0.810 62.485 63.100 0.325 0.000 0.785 223 P CB 0.133 31.887 31.700 0.090 0.000 0.923 224 P HA 0.045 nan 4.420 nan 0.000 0.257 224 P C -0.314 177.334 177.300 0.580 0.000 1.325 224 P CA 0.512 63.837 63.100 0.375 0.000 0.850 224 P CB 0.511 32.372 31.700 0.268 0.000 1.324 225 Q N 0.760 120.850 119.800 0.483 0.000 2.243 225 Q HA 0.273 4.613 4.340 0.000 0.000 0.252 225 Q C 0.250 176.344 176.000 0.157 0.000 0.909 225 Q CA -0.236 55.747 55.803 0.300 0.000 0.922 225 Q CB 0.745 29.556 28.738 0.122 0.000 1.215 225 Q HN -0.137 nan 8.270 nan 0.000 0.427 226 N N 1.482 120.110 118.700 -0.119 0.000 2.497 226 N HA -0.025 4.715 4.740 0.000 0.000 0.284 226 N C -0.132 175.257 175.510 -0.202 0.000 1.459 226 N CA -0.028 52.753 53.050 -0.448 0.000 0.899 226 N CB 0.477 38.422 38.487 -0.903 0.000 1.316 226 N HN 0.576 nan 8.380 nan 0.000 0.500 227 D N -0.016 120.330 120.400 -0.090 0.000 2.263 227 D HA -0.178 4.462 4.640 0.000 0.000 0.208 227 D C 1.514 177.777 176.300 -0.062 0.000 0.971 227 D CA 0.721 54.687 54.000 -0.057 0.000 0.867 227 D CB -0.241 40.538 40.800 -0.036 0.000 0.929 227 D HN 0.534 nan 8.370 nan 0.000 0.492 228 I N -2.457 118.068 120.570 -0.074 0.000 3.564 228 I HA 0.120 4.290 4.170 0.000 0.000 0.294 228 I C -0.193 175.866 176.117 -0.096 0.000 1.289 228 I CA -0.384 60.877 61.300 -0.066 0.000 1.325 228 I CB -0.861 37.113 38.000 -0.043 0.000 1.039 228 I HN -0.312 nan 8.210 nan 0.000 0.474 229 D N 1.351 121.675 120.400 -0.127 0.000 2.812 229 D HA -0.180 4.460 4.640 0.000 0.000 0.237 229 D C 1.134 177.338 176.300 -0.159 0.000 1.162 229 D CA 1.026 54.952 54.000 -0.123 0.000 0.740 229 D CB -0.621 40.137 40.800 -0.070 0.000 1.000 229 D HN 0.622 nan 8.370 nan 0.000 0.416 230 L N -0.708 120.362 121.223 -0.255 0.000 2.129 230 L HA -0.169 4.171 4.340 0.000 0.000 0.212 230 L C 1.970 178.602 176.870 -0.398 0.000 1.087 230 L CA 1.587 56.228 54.840 -0.332 0.000 0.757 230 L CB -0.573 41.256 42.059 -0.383 0.000 0.896 230 L HN 0.283 nan 8.230 nan 0.000 0.434 231 H N 0.225 119.231 119.070 -0.108 0.000 2.563 231 H HA 0.221 4.777 4.556 -0.000 0.000 0.272 231 H C 1.967 177.230 175.328 -0.107 0.000 1.005 231 H CA 0.854 56.845 56.048 -0.095 0.000 1.171 231 H CB 0.084 29.807 29.762 -0.065 0.000 1.351 231 H HN 0.639 nan 8.280 nan 0.000 0.602 232 A N 0.299 123.076 122.820 -0.071 0.000 2.308 232 A HA 0.050 4.370 4.320 0.000 0.000 0.217 232 A C 0.737 178.241 177.584 -0.134 0.000 1.216 232 A CA -0.248 51.740 52.037 -0.082 0.000 0.864 232 A CB 0.248 19.204 19.000 -0.072 0.000 0.902 232 A HN 0.205 nan 8.150 nan 0.000 0.499 233 N N -0.284 118.305 118.700 -0.185 0.000 2.384 233 N HA 0.234 4.974 4.740 0.000 0.000 0.301 233 N C -0.775 174.532 175.510 -0.338 0.000 1.133 233 N CA -0.316 52.582 53.050 -0.252 0.000 0.853 233 N CB 1.557 39.899 38.487 -0.241 0.000 1.241 233 N HN 0.048 nan 8.380 nan 0.000 0.502 234 D N 0.617 120.727 120.400 -0.484 0.000 2.097 234 D HA -0.064 4.576 4.640 0.000 0.000 0.197 234 D C 0.397 176.345 176.300 -0.586 0.000 0.984 234 D CA 1.416 55.037 54.000 -0.632 0.000 0.826 234 D CB 0.353 40.423 40.800 -1.216 0.000 0.973 234 D HN 0.368 nan 8.370 nan 0.000 0.460 235 M N 0.596 119.852 119.600 -0.574 0.000 2.259 235 M HA 0.311 4.791 4.480 0.000 0.000 0.304 235 M C -1.958 174.089 176.300 -0.421 0.000 1.019 235 M CA -0.571 54.475 55.300 -0.424 0.000 0.922 235 M CB 1.473 33.998 32.600 -0.125 0.000 1.600 235 M HN -0.204 nan 8.290 nan 0.000 0.433 236 N N 4.494 122.857 118.700 -0.562 0.000 2.295 236 N HA 0.446 5.186 4.740 0.000 0.000 0.293 236 N C -1.957 173.152 175.510 -0.667 0.000 1.040 236 N CA -0.336 52.433 53.050 -0.469 0.000 0.840 236 N CB 1.872 40.154 38.487 -0.342 0.000 1.468 236 N HN 0.517 nan 8.380 nan 0.000 0.478 237 F N 1.147 120.943 119.950 -0.257 0.000 2.325 237 F HA 0.273 4.800 4.527 0.000 0.000 0.369 237 F C 0.314 176.038 175.800 -0.125 0.000 1.095 237 F CA -0.740 57.045 58.000 -0.358 0.000 1.082 237 F CB 1.102 39.589 39.000 -0.854 0.000 1.289 237 F HN 0.066 nan 8.300 nan 0.000 0.462 238 V N 4.096 124.071 119.914 0.101 0.000 2.372 238 V HA 0.428 4.548 4.120 0.000 0.000 0.261 238 V C 0.575 176.859 176.094 0.317 0.000 1.055 238 V CA -0.946 61.426 62.300 0.121 0.000 0.930 238 V CB 0.531 32.230 31.823 -0.208 0.000 1.031 238 V HN 0.800 nan 8.190 nan 0.000 0.479 239 A N 7.462 130.518 122.820 0.393 0.000 2.522 239 A HA 0.413 4.733 4.320 0.000 0.000 0.256 239 A C -0.084 177.553 177.584 0.089 0.000 1.086 239 A CA 0.064 52.249 52.037 0.248 0.000 0.763 239 A CB -0.221 18.918 19.000 0.233 0.000 1.024 239 A HN 0.622 nan 8.150 nan 0.000 0.502 240 I N 2.257 122.830 120.570 0.004 0.000 2.339 240 I HA 0.504 4.674 4.170 0.000 0.000 0.290 240 I C 0.613 176.717 176.117 -0.021 0.000 0.994 240 I CA 0.010 61.331 61.300 0.035 0.000 1.191 240 I CB 0.899 38.968 38.000 0.116 0.000 1.343 240 I HN 0.725 nan 8.210 nan 0.000 0.458 241 A N 6.120 128.940 122.820 -0.001 0.000 2.354 241 A HA 0.863 5.183 4.320 0.000 0.000 0.321 241 A C -0.594 176.987 177.584 -0.004 0.000 1.125 241 A CA -0.497 51.536 52.037 -0.006 0.000 0.799 241 A CB 1.746 20.758 19.000 0.021 0.000 1.293 241 A HN 0.724 nan 8.150 nan 0.000 0.452 242 E N 0.035 120.232 120.200 -0.005 0.000 2.311 242 E HA 0.335 4.685 4.350 0.000 0.000 0.281 242 E C -1.084 175.518 176.600 0.002 0.000 0.905 242 E CA -0.595 55.802 56.400 -0.005 0.000 0.778 242 E CB 1.312 31.003 29.700 -0.015 0.000 1.240 242 E HN 0.772 nan 8.360 nan 0.000 0.410 243 N N 1.848 120.552 118.700 0.006 0.000 2.721 243 N HA -0.289 4.451 4.740 0.000 0.000 0.249 243 N C 0.670 176.189 175.510 0.016 0.000 1.072 243 N CA 0.688 53.744 53.050 0.009 0.000 0.710 243 N CB -0.729 37.761 38.487 0.006 0.000 0.993 243 N HN 0.927 nan 8.380 nan 0.000 0.547 244 G N -0.517 108.296 108.800 0.022 0.000 2.184 244 G HA2 -0.403 3.557 3.960 0.000 0.000 0.264 244 G HA3 -0.403 3.557 3.960 0.000 0.000 0.264 244 G C -0.011 174.908 174.900 0.032 0.000 0.975 244 G CA 1.003 46.122 45.100 0.032 0.000 0.642 244 G HN 0.801 nan 8.290 nan 0.000 0.536 245 K N -0.244 120.168 120.400 0.020 0.000 2.259 245 K HA 0.813 5.133 4.320 0.000 0.000 0.249 245 K C -0.388 176.209 176.600 -0.005 0.000 0.942 245 K CA -1.320 54.976 56.287 0.016 0.000 0.816 245 K CB 2.160 34.667 32.500 0.012 0.000 1.155 245 K HN 0.027 nan 8.250 nan 0.000 0.428 246 L N 2.896 124.106 121.223 -0.021 0.000 2.397 246 L HA 0.080 4.420 4.340 0.000 0.000 0.271 246 L C 0.760 177.554 176.870 -0.127 0.000 1.148 246 L CA 0.357 55.137 54.840 -0.100 0.000 0.825 246 L CB 1.721 43.688 42.059 -0.154 0.000 1.117 246 L HN 0.764 nan 8.230 nan 0.000 0.456 247 V N -0.321 119.504 119.914 -0.149 0.000 3.562 247 V HA 0.802 4.922 4.120 0.000 0.000 0.270 247 V C 0.502 176.520 176.094 -0.127 0.000 1.418 247 V CA 0.610 62.857 62.300 -0.089 0.000 1.033 247 V CB 0.016 31.840 31.823 0.003 0.000 0.820 247 V HN 0.839 nan 8.190 nan 0.000 0.441 248 G N -0.352 108.290 108.800 -0.263 0.000 2.341 248 G HA2 0.563 4.523 3.960 0.000 0.000 0.299 248 G HA3 0.563 4.523 3.960 0.000 0.000 0.299 248 G C -2.194 172.375 174.900 -0.552 0.000 1.274 248 G CA -0.586 44.261 45.100 -0.422 0.000 0.853 248 G HN 0.089 nan 8.290 nan 0.000 0.493 249 F N 0.112 119.953 119.950 -0.182 0.000 2.578 249 F HA 0.543 5.070 4.527 0.000 0.000 0.311 249 F C -0.200 175.606 175.800 0.009 0.000 1.094 249 F CA -1.101 56.891 58.000 -0.012 0.000 0.923 249 F CB 2.533 41.587 39.000 0.089 0.000 1.230 249 F HN 0.177 nan 8.300 nan 0.000 0.450 250 N N 1.958 120.808 118.700 0.252 0.000 2.479 250 N HA 0.428 5.168 4.740 0.000 0.000 0.285 250 N C -1.320 174.158 175.510 -0.054 0.000 1.075 250 N CA -0.433 52.677 53.050 0.100 0.000 0.967 250 N CB 1.818 40.255 38.487 -0.085 0.000 1.137 250 N HN 0.528 nan 8.380 nan 0.000 0.472 251 L N 3.086 124.227 121.223 -0.137 0.000 2.287 251 L HA 0.504 4.844 4.340 0.000 0.000 0.287 251 L C -1.435 175.209 176.870 -0.378 0.000 1.022 251 L CA -0.468 54.162 54.840 -0.351 0.000 0.814 251 L CB 0.721 42.559 42.059 -0.368 0.000 1.217 251 L HN 0.328 nan 8.230 nan 0.000 0.420 252 L N 6.005 126.967 121.223 -0.435 0.000 2.333 252 L HA 0.688 5.028 4.340 0.000 0.000 0.280 252 L C -0.664 175.892 176.870 -0.523 0.000 1.004 252 L CA -0.271 54.348 54.840 -0.369 0.000 0.820 252 L CB 2.018 43.942 42.059 -0.225 0.000 1.247 252 L HN 0.336 nan 8.230 nan 0.000 0.416 253 V N 1.564 121.100 119.914 -0.631 0.000 2.823 253 V HA 0.814 4.934 4.120 0.000 0.000 0.312 253 V C 0.619 176.447 176.094 -0.444 0.000 1.072 253 V CA -0.044 61.848 62.300 -0.680 0.000 0.937 253 V CB 1.646 32.756 31.823 -1.188 0.000 1.013 253 V HN 0.836 nan 8.190 nan 0.000 0.430 254 G N 2.721 111.294 108.800 -0.378 0.000 2.138 254 G HA2 -0.075 3.885 3.960 0.000 0.000 0.193 254 G HA3 -0.075 3.885 3.960 0.000 0.000 0.193 254 G C 0.383 175.174 174.900 -0.182 0.000 0.998 254 G CA -0.219 44.727 45.100 -0.256 0.000 0.668 254 G HN 1.364 nan 8.290 nan 0.000 0.516 255 G N -0.590 108.091 108.800 -0.200 0.000 2.507 255 G HA2 0.806 4.766 3.960 0.000 0.000 0.271 255 G HA3 0.806 4.766 3.960 0.000 0.000 0.271 255 G C 0.341 175.149 174.900 -0.153 0.000 1.189 255 G CA 0.002 45.023 45.100 -0.131 0.000 0.859 255 G HN 1.594 nan 8.290 nan 0.000 0.542 256 G N -0.507 108.226 108.800 -0.111 0.000 2.498 256 G HA2 0.391 4.351 3.960 0.000 0.000 0.301 256 G HA3 0.391 4.351 3.960 0.000 0.000 0.301 256 G C -0.015 174.834 174.900 -0.084 0.000 1.577 256 G CA -0.712 44.317 45.100 -0.119 0.000 0.868 256 G HN 0.592 nan 8.290 nan 0.000 0.599 257 L N 0.585 121.766 121.223 -0.070 0.000 2.642 257 L HA 0.282 4.622 4.340 0.000 0.000 0.233 257 L C 1.660 178.503 176.870 -0.045 0.000 1.077 257 L CA 0.001 54.808 54.840 -0.056 0.000 0.879 257 L CB 0.715 42.738 42.059 -0.059 0.000 1.151 257 L HN 0.542 nan 8.230 nan 0.000 0.495 258 S N 1.534 117.213 115.700 -0.035 0.000 2.546 258 S HA 0.278 4.748 4.470 0.000 0.000 0.290 258 S C -0.074 174.544 174.600 0.030 0.000 1.290 258 S CA -0.233 57.959 58.200 -0.013 0.000 1.069 258 S CB -0.025 63.174 63.200 -0.002 0.000 0.846 258 S HN 0.267 nan 8.310 nan 0.000 0.495 259 I N 1.172 121.762 120.570 0.033 0.000 3.322 259 I HA 0.767 4.937 4.170 0.000 0.000 0.313 259 I C -0.825 175.332 176.117 0.067 0.000 1.129 259 I CA -1.115 60.264 61.300 0.131 0.000 0.963 259 I CB 2.138 40.265 38.000 0.212 0.000 1.273 259 I HN 0.540 nan 8.210 nan 0.000 0.473 260 E N 0.950 121.232 120.200 0.137 0.000 2.263 260 E HA 0.327 4.677 4.350 0.000 0.000 0.268 260 E C -1.311 175.370 176.600 0.135 0.000 0.884 260 E CA -0.779 55.643 56.400 0.038 0.000 0.766 260 E CB 1.024 30.737 29.700 0.022 0.000 1.196 260 E HN 0.617 nan 8.360 nan 0.000 0.416 261 H N 2.329 121.502 119.070 0.172 0.000 3.125 261 H HA 0.021 4.578 4.556 0.000 0.000 0.310 261 H C 1.301 176.686 175.328 0.095 0.000 0.980 261 H CA 1.827 57.994 56.048 0.199 0.000 1.422 261 H CB 0.850 30.689 29.762 0.127 0.000 1.432 261 H HN 0.950 nan 8.280 nan 0.000 0.577 262 G N 3.584 112.523 108.800 0.231 0.000 2.196 262 G HA2 -0.333 3.627 3.960 0.000 0.000 0.268 262 G HA3 -0.333 3.627 3.960 0.000 0.000 0.268 262 G C 0.589 175.310 174.900 -0.298 0.000 0.975 262 G CA 0.448 45.517 45.100 -0.051 0.000 0.648 262 G HN 0.669 nan 8.290 nan 0.000 0.538 263 N N 0.614 119.102 118.700 -0.353 0.000 2.678 263 N HA 0.290 5.030 4.740 0.000 0.000 0.231 263 N C 1.376 176.491 175.510 -0.658 0.000 1.038 263 N CA -0.335 52.503 53.050 -0.354 0.000 0.932 263 N CB 0.358 38.760 38.487 -0.142 0.000 1.176 263 N HN 0.368 nan 8.380 nan 0.000 0.511 264 K N 1.643 121.565 120.400 -0.798 0.000 2.515 264 K HA -0.055 4.265 4.320 0.000 0.000 0.196 264 K C 0.880 177.320 176.600 -0.266 0.000 1.038 264 K CA 0.711 56.433 56.287 -0.942 0.000 0.967 264 K CB 0.448 32.593 32.500 -0.590 0.000 0.780 264 K HN 0.406 nan 8.250 nan 0.000 0.483 265 K N 0.785 121.101 120.400 -0.140 0.000 2.418 265 K HA -0.031 4.289 4.320 0.000 0.000 0.195 265 K C 0.860 177.521 176.600 0.102 0.000 1.035 265 K CA 0.638 56.936 56.287 0.018 0.000 1.003 265 K CB 0.352 32.813 32.500 -0.064 0.000 0.793 265 K HN 0.203 nan 8.250 nan 0.000 0.494 266 T N -1.275 113.358 114.554 0.131 0.000 2.925 266 T HA 0.512 4.862 4.350 0.000 0.000 0.285 266 T C -0.589 174.403 174.700 0.486 0.000 1.021 266 T CA -0.808 61.421 62.100 0.215 0.000 1.042 266 T CB 1.088 70.056 68.868 0.167 0.000 1.037 266 T HN 0.151 nan 8.240 nan 0.000 0.481 267 Y N -1.545 119.027 120.300 0.453 0.000 2.702 267 Y HA 0.738 5.288 4.550 -0.000 0.000 0.336 267 Y C -0.905 175.032 175.900 0.063 0.000 1.203 267 Y CA -1.893 56.386 58.100 0.300 0.000 1.072 267 Y CB 0.531 39.164 38.460 0.289 0.000 1.327 267 Y HN 0.952 nan 8.280 nan 0.000 0.456 268 A N 2.216 125.173 122.820 0.229 0.000 2.304 268 A HA 0.878 5.198 4.320 0.000 0.000 0.301 268 A C -0.506 177.164 177.584 0.143 0.000 1.132 268 A CA -0.781 51.303 52.037 0.078 0.000 0.819 268 A CB 1.105 20.099 19.000 -0.010 0.000 1.094 268 A HN 0.844 nan 8.150 nan 0.000 0.492 269 R N 0.549 121.087 120.500 0.064 0.000 2.698 269 R HA 0.551 4.891 4.340 0.000 0.000 0.275 269 R C -0.522 175.785 176.300 0.012 0.000 1.001 269 R CA -0.193 55.939 56.100 0.053 0.000 0.896 269 R CB 1.782 32.138 30.300 0.092 0.000 1.218 269 R HN 0.852 nan 8.270 nan 0.000 0.462 270 T N 0.316 114.875 114.554 0.008 0.000 2.874 270 T HA 0.612 4.962 4.350 0.000 0.000 0.281 270 T C 0.396 175.192 174.700 0.159 0.000 0.994 270 T CA -0.754 61.396 62.100 0.084 0.000 1.015 270 T CB 1.482 70.256 68.868 -0.157 0.000 1.028 270 T HN 0.630 nan 8.240 nan 0.000 0.523 271 A N 1.511 124.548 122.820 0.362 0.000 2.388 271 A HA 0.560 4.880 4.320 0.000 0.000 0.257 271 A C 0.556 178.193 177.584 0.088 0.000 1.095 271 A CA -0.638 51.440 52.037 0.068 0.000 0.791 271 A CB -0.073 18.852 19.000 -0.125 0.000 1.029 271 A HN 0.771 nan 8.150 nan 0.000 0.489 272 S N 1.001 116.704 115.700 0.004 0.000 2.585 272 S HA 0.262 4.732 4.470 0.000 0.000 0.277 272 S C -0.075 174.577 174.600 0.086 0.000 1.241 272 S CA -0.464 57.782 58.200 0.078 0.000 1.041 272 S CB 0.813 64.094 63.200 0.135 0.000 0.987 272 S HN 0.725 nan 8.310 nan 0.000 0.512 273 E N 1.371 121.655 120.200 0.140 0.000 2.259 273 E HA 0.145 4.495 4.350 0.000 0.000 0.281 273 E C -0.344 176.393 176.600 0.228 0.000 1.037 273 E CA -0.083 56.396 56.400 0.132 0.000 0.854 273 E CB 0.433 30.218 29.700 0.142 0.000 1.051 273 E HN 0.497 nan 8.360 nan 0.000 0.409 274 F N 1.235 121.039 119.950 -0.243 0.000 2.383 274 F HA 0.309 4.836 4.527 0.000 0.000 0.287 274 F C 1.197 176.704 175.800 -0.488 0.000 1.069 274 F CA 0.906 58.659 58.000 -0.412 0.000 1.402 274 F CB 0.476 39.063 39.000 -0.688 0.000 1.116 274 F HN 0.629 nan 8.300 nan 0.000 0.549 275 G N -1.569 107.097 108.800 -0.224 0.000 2.359 275 G HA2 0.162 4.122 3.960 0.000 0.000 0.293 275 G HA3 0.162 4.122 3.960 0.000 0.000 0.293 275 G C -2.214 172.763 174.900 0.128 0.000 1.300 275 G CA -0.976 44.104 45.100 -0.034 0.000 0.888 275 G HN -0.061 nan 8.290 nan 0.000 0.541 276 Y N 1.591 122.009 120.300 0.197 0.000 2.320 276 Y HA 0.710 5.260 4.550 0.000 0.000 0.334 276 Y C 0.025 176.137 175.900 0.354 0.000 1.055 276 Y CA -1.158 57.075 58.100 0.221 0.000 1.143 276 Y CB 1.168 39.713 38.460 0.142 0.000 1.193 276 Y HN 0.700 nan 8.280 nan 0.000 0.477 277 L N 6.244 127.202 121.223 -0.441 0.000 2.381 277 L HA 0.707 5.047 4.340 0.000 0.000 0.274 277 L C -3.254 173.278 176.870 -0.564 0.000 0.988 277 L CA -2.573 52.119 54.840 -0.247 0.000 0.824 277 L CB 1.126 43.289 42.059 0.173 0.000 1.263 277 L HN 0.475 nan 8.230 nan 0.000 0.410 278 P HA 0.045 nan 4.420 nan 0.000 0.268 278 P C 1.052 178.156 177.300 -0.327 0.000 1.208 278 P CA -0.196 62.733 63.100 -0.285 0.000 0.777 278 P CB 0.808 32.408 31.700 -0.167 0.000 0.875 279 L N 2.955 123.968 121.223 -0.350 0.000 2.129 279 L HA -0.223 4.117 4.340 0.000 0.000 0.212 279 L C 2.056 178.709 176.870 -0.361 0.000 1.087 279 L CA 1.838 56.411 54.840 -0.446 0.000 0.757 279 L CB -1.037 40.783 42.059 -0.399 0.000 0.896 279 L HN 0.472 nan 8.230 nan 0.000 0.434 280 E N -2.041 117.964 120.200 -0.326 0.000 2.274 280 E HA -0.225 4.125 4.350 0.000 0.000 0.194 280 E C 1.227 177.689 176.600 -0.231 0.000 0.996 280 E CA 1.143 57.387 56.400 -0.259 0.000 0.840 280 E CB -0.627 28.890 29.700 -0.305 0.000 0.772 280 E HN 0.608 nan 8.360 nan 0.000 0.491 281 H N 1.167 120.190 119.070 -0.079 0.000 2.539 281 H HA 0.165 4.721 4.556 0.000 0.000 0.267 281 H C 1.458 176.754 175.328 -0.054 0.000 0.982 281 H CA 0.871 56.880 56.048 -0.065 0.000 1.146 281 H CB -0.045 29.665 29.762 -0.086 0.000 1.382 281 H HN 0.157 nan 8.280 nan 0.000 0.577 282 T N 1.761 116.289 114.554 -0.044 0.000 2.570 282 T HA -0.172 4.178 4.350 0.000 0.000 0.266 282 T C 2.368 177.019 174.700 -0.081 0.000 1.071 282 T CA 1.224 63.234 62.100 -0.150 0.000 1.172 282 T CB -0.386 68.143 68.868 -0.564 0.000 0.864 282 T HN 0.269 nan 8.240 nan 0.000 0.421 283 L N 0.725 121.905 121.223 -0.073 0.000 2.131 283 L HA -0.112 4.228 4.340 0.000 0.000 0.210 283 L C 3.088 179.880 176.870 -0.131 0.000 1.092 283 L CA 1.221 55.911 54.840 -0.250 0.000 0.759 283 L CB -0.876 40.864 42.059 -0.533 0.000 0.903 283 L HN 0.295 nan 8.230 nan 0.000 0.435 284 A N -0.117 122.692 122.820 -0.017 0.000 1.873 284 A HA -0.128 4.192 4.320 0.000 0.000 0.215 284 A C 2.351 179.986 177.584 0.084 0.000 1.186 284 A CA 1.664 53.728 52.037 0.044 0.000 0.616 284 A CB -0.738 18.289 19.000 0.045 0.000 0.823 284 A HN 0.178 nan 8.150 nan 0.000 0.442 285 V N -0.130 119.858 119.914 0.122 0.000 2.307 285 V HA -0.218 3.902 4.120 0.000 0.000 0.245 285 V C 3.070 179.319 176.094 0.259 0.000 1.045 285 V CA 1.850 64.273 62.300 0.204 0.000 1.024 285 V CB -1.240 30.769 31.823 0.310 0.000 0.651 285 V HN 0.618 nan 8.190 nan 0.000 0.449 286 A N -0.471 122.530 122.820 0.301 0.000 1.883 286 A HA -0.314 4.006 4.320 0.000 0.000 0.217 286 A C 2.288 179.999 177.584 0.211 0.000 1.186 286 A CA 2.239 54.480 52.037 0.341 0.000 0.624 286 A CB -0.600 18.576 19.000 0.293 0.000 0.822 286 A HN 0.609 nan 8.150 nan 0.000 0.444 287 E N -0.417 119.907 120.200 0.207 0.000 2.077 287 E HA -0.143 4.207 4.350 0.000 0.000 0.193 287 E C 2.199 178.833 176.600 0.057 0.000 0.989 287 E CA 1.010 57.502 56.400 0.154 0.000 0.800 287 E CB -0.240 29.613 29.700 0.255 0.000 0.746 287 E HN 0.560 nan 8.360 nan 0.000 0.452 288 A N 0.389 123.252 122.820 0.073 0.000 1.902 288 A HA -0.138 4.182 4.320 0.000 0.000 0.217 288 A C 2.383 179.983 177.584 0.027 0.000 1.181 288 A CA 1.371 53.423 52.037 0.025 0.000 0.623 288 A CB -0.591 18.435 19.000 0.042 0.000 0.818 288 A HN 0.217 nan 8.150 nan 0.000 0.443 289 V N -0.430 119.562 119.914 0.130 0.000 2.343 289 V HA -0.216 3.904 4.120 0.000 0.000 0.247 289 V C 2.574 178.725 176.094 0.094 0.000 1.051 289 V CA 1.933 64.372 62.300 0.233 0.000 1.036 289 V CB -0.700 31.284 31.823 0.269 0.000 0.654 289 V HN 0.374 nan 8.190 nan 0.000 0.451 290 V N 0.943 120.781 119.914 -0.125 0.000 2.295 290 V HA -0.258 3.862 4.120 0.000 0.000 0.246 290 V C 2.820 178.787 176.094 -0.212 0.000 1.049 290 V CA 2.603 64.659 62.300 -0.408 0.000 1.024 290 V CB -1.186 30.348 31.823 -0.482 0.000 0.648 290 V HN 0.833 nan 8.190 nan 0.000 0.447 291 T N -1.647 112.819 114.554 -0.146 0.000 2.821 291 T HA -0.221 4.129 4.350 0.000 0.000 0.267 291 T C 1.941 176.519 174.700 -0.203 0.000 1.046 291 T CA 2.007 64.024 62.100 -0.138 0.000 1.139 291 T CB -0.797 68.001 68.868 -0.116 0.000 0.871 291 T HN 0.599 nan 8.240 nan 0.000 0.454 292 T N -0.107 114.257 114.554 -0.315 0.000 2.904 292 T HA -0.116 4.234 4.350 0.000 0.000 0.267 292 T C 2.114 176.561 174.700 -0.423 0.000 1.059 292 T CA 1.414 63.106 62.100 -0.679 0.000 1.137 292 T CB -0.439 67.686 68.868 -1.239 0.000 0.879 292 T HN 0.412 nan 8.240 nan 0.000 0.467 293 Q N 1.517 121.294 119.800 -0.038 0.000 2.123 293 Q HA 0.059 4.399 4.340 0.000 0.000 0.199 293 Q C 2.449 178.535 176.000 0.144 0.000 0.966 293 Q CA 1.500 57.444 55.803 0.236 0.000 0.845 293 Q CB -0.599 28.357 28.738 0.364 0.000 0.907 293 Q HN 0.642 nan 8.270 nan 0.000 0.439 294 R N -0.109 120.410 120.500 0.032 0.000 2.083 294 R HA -0.158 4.182 4.340 0.000 0.000 0.237 294 R C 1.062 177.403 176.300 0.067 0.000 1.137 294 R CA 1.945 58.067 56.100 0.037 0.000 0.951 294 R CB -0.253 30.036 30.300 -0.017 0.000 0.851 294 R HN 0.362 nan 8.270 nan 0.000 0.434 295 D N -0.679 119.740 120.400 0.033 0.000 2.103 295 D HA -0.149 4.491 4.640 0.000 0.000 0.199 295 D C 1.765 178.260 176.300 0.326 0.000 0.978 295 D CA 0.959 55.031 54.000 0.119 0.000 0.829 295 D CB -0.353 40.477 40.800 0.050 0.000 0.981 295 D HN 0.342 nan 8.370 nan 0.000 0.464 296 W N 1.851 123.166 121.300 0.024 0.000 2.518 296 W HA 0.246 4.906 4.660 -0.000 0.000 0.273 296 W C 1.301 177.880 176.519 0.100 0.000 1.247 296 W CA -0.351 57.024 57.345 0.051 0.000 1.288 296 W CB -1.044 28.438 29.460 0.035 0.000 1.107 296 W HN -0.186 nan 8.180 nan 0.000 0.586 297 G N 2.148 111.161 108.800 0.355 0.000 2.254 297 G HA2 -0.107 3.853 3.960 0.000 0.000 0.253 297 G HA3 -0.107 3.853 3.960 0.000 0.000 0.253 297 G C 0.108 175.120 174.900 0.186 0.000 1.246 297 G CA -0.385 44.877 45.100 0.271 0.000 0.946 297 G HN -0.036 nan 8.290 nan 0.000 0.474 298 N N 1.899 120.692 118.700 0.154 0.000 2.417 298 N HA -0.008 4.732 4.740 0.000 0.000 0.272 298 N C 1.461 177.014 175.510 0.071 0.000 1.304 298 N CA 0.016 53.120 53.050 0.090 0.000 0.906 298 N CB 0.455 38.976 38.487 0.058 0.000 1.135 298 N HN 0.566 nan 8.380 nan 0.000 0.483 299 R N 1.910 122.447 120.500 0.061 0.000 2.189 299 R HA 0.020 4.360 4.340 0.000 0.000 0.203 299 R C 1.196 177.512 176.300 0.027 0.000 1.012 299 R CA 0.724 56.854 56.100 0.050 0.000 1.015 299 R CB 0.027 30.358 30.300 0.052 0.000 0.938 299 R HN 0.554 nan 8.270 nan 0.000 0.472 300 T N 1.042 115.606 114.554 0.017 0.000 2.529 300 T HA -0.180 4.170 4.350 0.000 0.000 0.261 300 T C 0.743 175.439 174.700 -0.007 0.000 1.110 300 T CA 1.309 63.411 62.100 0.004 0.000 1.192 300 T CB -0.330 68.538 68.868 -0.001 0.000 0.864 300 T HN 0.114 nan 8.240 nan 0.000 0.407 301 D N 0.913 121.301 120.400 -0.021 0.000 2.393 301 D HA 0.140 4.780 4.640 0.000 0.000 0.232 301 D C 1.112 177.382 176.300 -0.050 0.000 1.192 301 D CA -0.321 53.652 54.000 -0.044 0.000 0.882 301 D CB 0.610 41.367 40.800 -0.071 0.000 1.038 301 D HN 0.168 nan 8.370 nan 0.000 0.499 302 R N 3.502 123.982 120.500 -0.033 0.000 2.127 302 R HA -0.148 4.192 4.340 0.000 0.000 0.238 302 R C 1.156 177.426 176.300 -0.050 0.000 1.134 302 R CA 1.356 57.444 56.100 -0.020 0.000 0.975 302 R CB 0.160 30.457 30.300 -0.005 0.000 0.865 302 R HN 0.277 nan 8.270 nan 0.000 0.447 303 K N -0.289 120.052 120.400 -0.098 0.000 2.515 303 K HA -0.054 4.266 4.320 0.000 0.000 0.196 303 K C 1.107 177.477 176.600 -0.382 0.000 1.038 303 K CA 0.852 57.044 56.287 -0.158 0.000 0.967 303 K CB -0.018 32.389 32.500 -0.154 0.000 0.780 303 K HN 0.282 nan 8.250 nan 0.000 0.483 304 N N -0.206 118.277 118.700 -0.362 0.000 2.194 304 N HA 0.128 4.868 4.740 0.000 0.000 0.231 304 N C 0.736 176.163 175.510 -0.138 0.000 1.247 304 N CA 0.059 52.757 53.050 -0.587 0.000 0.884 304 N CB 0.667 38.907 38.487 -0.413 0.000 1.146 304 N HN 0.085 nan 8.380 nan 0.000 0.516 305 A N 0.754 123.573 122.820 -0.002 0.000 1.930 305 A HA 0.014 4.334 4.320 0.000 0.000 0.215 305 A C 1.198 178.908 177.584 0.210 0.000 1.176 305 A CA 0.694 52.796 52.037 0.109 0.000 0.632 305 A CB -0.133 18.918 19.000 0.085 0.000 0.819 305 A HN 0.145 nan 8.150 nan 0.000 0.445 306 K N 0.436 120.998 120.400 0.270 0.000 2.542 306 K HA 0.041 4.361 4.320 0.000 0.000 0.276 306 K C 1.173 177.910 176.600 0.228 0.000 0.963 306 K CA 1.047 57.481 56.287 0.245 0.000 0.975 306 K CB 0.183 32.817 32.500 0.223 0.000 0.901 306 K HN 0.300 nan 8.250 nan 0.000 0.506 307 T N 3.386 118.024 114.554 0.139 0.000 2.759 307 T HA -0.213 4.137 4.350 0.000 0.000 0.269 307 T C 1.338 176.049 174.700 0.018 0.000 1.042 307 T CA 1.961 64.128 62.100 0.112 0.000 1.140 307 T CB -0.222 68.656 68.868 0.015 0.000 0.864 307 T HN 0.696 nan 8.240 nan 0.000 0.455 308 K N 0.360 120.700 120.400 -0.100 0.000 2.152 308 K HA -0.162 4.158 4.320 0.000 0.000 0.206 308 K C 1.697 178.232 176.600 -0.107 0.000 1.048 308 K CA 1.562 57.749 56.287 -0.166 0.000 0.933 308 K CB -0.528 31.788 32.500 -0.307 0.000 0.721 308 K HN 0.338 nan 8.250 nan 0.000 0.447 309 Y N 2.224 122.573 120.300 0.081 0.000 2.269 309 Y HA -0.017 4.533 4.550 0.000 0.000 0.294 309 Y C 2.728 178.726 175.900 0.164 0.000 1.120 309 Y CA 1.264 59.429 58.100 0.108 0.000 1.159 309 Y CB -0.624 37.848 38.460 0.020 0.000 1.024 309 Y HN 0.046 nan 8.280 nan 0.000 0.532 310 T N 0.889 115.649 114.554 0.343 0.000 2.720 310 T HA -0.199 4.151 4.350 0.000 0.000 0.268 310 T C 2.104 177.032 174.700 0.380 0.000 1.037 310 T CA 1.370 63.695 62.100 0.375 0.000 1.144 310 T CB -0.615 68.542 68.868 0.481 0.000 0.864 310 T HN 0.222 nan 8.240 nan 0.000 0.444 311 L N 0.712 122.100 121.223 0.274 0.000 2.083 311 L HA -0.096 4.244 4.340 0.000 0.000 0.209 311 L C 2.849 179.847 176.870 0.213 0.000 1.083 311 L CA 1.274 56.245 54.840 0.219 0.000 0.752 311 L CB -0.391 41.692 42.059 0.039 0.000 0.899 311 L HN 0.239 nan 8.230 nan 0.000 0.433 312 E N -0.534 119.790 120.200 0.208 0.000 2.208 312 E HA -0.174 4.176 4.350 0.000 0.000 0.193 312 E C 2.122 178.830 176.600 0.180 0.000 0.988 312 E CA 0.606 57.122 56.400 0.192 0.000 0.828 312 E CB 0.021 29.876 29.700 0.259 0.000 0.763 312 E HN 0.410 nan 8.360 nan 0.000 0.478 313 R N 0.760 121.380 120.500 0.201 0.000 2.062 313 R HA -0.071 4.269 4.340 0.000 0.000 0.226 313 R C 2.385 178.744 176.300 0.098 0.000 1.125 313 R CA 1.397 57.583 56.100 0.144 0.000 0.966 313 R CB 0.133 30.519 30.300 0.144 0.000 0.861 313 R HN 0.152 nan 8.270 nan 0.000 0.433 314 V N -2.753 117.243 119.914 0.136 0.000 3.174 314 V HA 0.377 4.497 4.120 0.000 0.000 0.254 314 V C 0.641 176.817 176.094 0.136 0.000 1.120 314 V CA 0.554 62.901 62.300 0.078 0.000 1.114 314 V CB -0.090 31.759 31.823 0.043 0.000 0.756 314 V HN 0.467 nan 8.190 nan 0.000 0.467 315 G N -0.513 108.402 108.800 0.191 0.000 2.788 315 G HA2 -0.082 3.878 3.960 0.000 0.000 0.686 315 G HA3 -0.082 3.878 3.960 0.000 0.000 0.686 315 G C -0.125 174.909 174.900 0.223 0.000 1.147 315 G CA -0.375 44.823 45.100 0.162 0.000 0.755 315 G HN 0.570 nan 8.290 nan 0.000 0.634 316 V N 1.833 121.841 119.914 0.157 0.000 2.255 316 V HA -0.188 3.932 4.120 0.000 0.000 0.247 316 V C 2.734 178.828 176.094 0.000 0.000 1.051 316 V CA 2.789 65.162 62.300 0.122 0.000 1.018 316 V CB -0.436 31.432 31.823 0.075 0.000 0.641 316 V HN 0.805 nan 8.190 nan 0.000 0.445 317 E N -0.041 120.158 120.200 -0.001 0.000 2.153 317 E HA -0.163 4.187 4.350 0.000 0.000 0.194 317 E C 2.264 178.898 176.600 0.057 0.000 0.988 317 E CA 1.745 58.128 56.400 -0.027 0.000 0.811 317 E CB -0.681 29.017 29.700 -0.002 0.000 0.746 317 E HN 0.625 nan 8.360 nan 0.000 0.466 318 T N 1.023 115.666 114.554 0.148 0.000 2.812 318 T HA -0.084 4.266 4.350 0.000 0.000 0.264 318 T C 1.577 176.516 174.700 0.397 0.000 1.042 318 T CA 0.743 62.979 62.100 0.226 0.000 1.140 318 T CB -0.376 68.605 68.868 0.188 0.000 0.870 318 T HN 0.087 nan 8.240 nan 0.000 0.445 319 F N 2.184 122.328 119.950 0.323 0.000 2.134 319 F HA 0.008 4.535 4.527 -0.000 0.000 0.299 319 F C 2.308 178.183 175.800 0.125 0.000 1.097 319 F CA 1.219 59.436 58.000 0.363 0.000 1.264 319 F CB -0.187 39.063 39.000 0.417 0.000 1.001 319 F HN -0.030 nan 8.300 nan 0.000 0.479 320 K N 0.192 120.665 120.400 0.123 0.000 2.009 320 K HA -0.196 4.124 4.320 0.000 0.000 0.210 320 K C 2.268 178.928 176.600 0.099 0.000 1.049 320 K CA 1.392 57.584 56.287 -0.158 0.000 0.929 320 K CB -0.499 31.668 32.500 -0.555 0.000 0.714 320 K HN 0.270 nan 8.250 nan 0.000 0.440 321 A N 1.198 124.064 122.820 0.077 0.000 1.883 321 A HA -0.244 4.076 4.320 0.000 0.000 0.217 321 A C 2.023 179.639 177.584 0.054 0.000 1.186 321 A CA 2.148 54.231 52.037 0.076 0.000 0.624 321 A CB -0.736 18.314 19.000 0.083 0.000 0.822 321 A HN 0.544 nan 8.150 nan 0.000 0.444 322 E N -0.204 120.014 120.200 0.031 0.000 2.110 322 E HA -0.110 4.240 4.350 0.000 0.000 0.193 322 E C 1.788 178.315 176.600 -0.122 0.000 0.988 322 E CA 1.424 57.762 56.400 -0.104 0.000 0.804 322 E CB -0.375 29.089 29.700 -0.393 0.000 0.745 322 E HN 0.265 nan 8.360 nan 0.000 0.458 323 V N 0.893 120.798 119.914 -0.016 0.000 2.343 323 V HA -0.232 3.888 4.120 0.000 0.000 0.247 323 V C 2.050 178.171 176.094 0.046 0.000 1.051 323 V CA 2.217 64.581 62.300 0.106 0.000 1.036 323 V CB -0.488 31.605 31.823 0.449 0.000 0.654 323 V HN 0.316 nan 8.190 nan 0.000 0.451 324 E N -0.254 119.965 120.200 0.031 0.000 2.107 324 E HA -0.201 4.149 4.350 0.000 0.000 0.191 324 E C 2.428 178.970 176.600 -0.097 0.000 0.982 324 E CA 0.881 57.214 56.400 -0.112 0.000 0.809 324 E CB -0.167 29.485 29.700 -0.080 0.000 0.756 324 E HN 0.436 nan 8.360 nan 0.000 0.459 325 R N 1.190 121.659 120.500 -0.052 0.000 2.073 325 R HA -0.094 4.246 4.340 0.000 0.000 0.234 325 R C 2.269 178.533 176.300 -0.059 0.000 1.134 325 R CA 1.292 57.363 56.100 -0.048 0.000 0.952 325 R CB 0.055 30.341 30.300 -0.024 0.000 0.850 325 R HN 0.044 nan 8.270 nan 0.000 0.433 326 R N -0.426 120.034 120.500 -0.068 0.000 2.092 326 R HA -0.030 4.310 4.340 0.000 0.000 0.231 326 R C 2.181 178.448 176.300 -0.055 0.000 1.119 326 R CA 1.212 57.272 56.100 -0.066 0.000 0.970 326 R CB -0.159 30.087 30.300 -0.090 0.000 0.864 326 R HN 0.234 nan 8.270 nan 0.000 0.440 327 A N 0.072 122.851 122.820 -0.069 0.000 2.016 327 A HA 0.138 4.458 4.320 0.000 0.000 0.217 327 A C 1.529 179.042 177.584 -0.118 0.000 1.162 327 A CA 1.060 53.049 52.037 -0.081 0.000 0.662 327 A CB -0.158 18.776 19.000 -0.110 0.000 0.812 327 A HN 0.453 nan 8.150 nan 0.000 0.450 328 G N -0.869 107.852 108.800 -0.132 0.000 2.137 328 G HA2 -0.190 3.770 3.960 0.000 0.000 0.237 328 G HA3 -0.190 3.770 3.960 0.000 0.000 0.237 328 G C 0.108 174.875 174.900 -0.222 0.000 1.002 328 G CA 0.506 45.525 45.100 -0.135 0.000 0.702 328 G HN 1.504 nan 8.290 nan 0.000 0.515 329 I N -3.277 117.112 120.570 -0.301 0.000 3.145 329 I HA 0.962 5.132 4.170 0.000 0.000 0.313 329 I C -0.530 175.380 176.117 -0.345 0.000 1.122 329 I CA -1.793 59.258 61.300 -0.416 0.000 0.987 329 I CB 2.167 39.764 38.000 -0.672 0.000 1.236 329 I HN 0.172 nan 8.210 nan 0.000 0.453 330 K N 1.756 121.979 120.400 -0.296 0.000 2.397 330 K HA 0.550 4.870 4.320 0.000 0.000 0.253 330 K C -1.715 174.784 176.600 -0.168 0.000 0.932 330 K CA -0.493 55.685 56.287 -0.182 0.000 0.795 330 K CB 1.555 34.018 32.500 -0.062 0.000 1.159 330 K HN 0.442 nan 8.250 nan 0.000 0.424 331 F N 2.031 121.998 119.950 0.029 0.000 2.471 331 F HA 0.164 4.691 4.527 0.000 0.000 0.353 331 F C 0.882 176.738 175.800 0.094 0.000 1.113 331 F CA 0.102 58.143 58.000 0.068 0.000 1.262 331 F CB 0.843 39.896 39.000 0.088 0.000 1.146 331 F HN 0.603 nan 8.300 nan 0.000 0.578 332 E N 3.590 124.010 120.200 0.367 0.000 2.280 332 E HA 0.311 4.661 4.350 0.000 0.000 0.261 332 E C -2.311 174.466 176.600 0.295 0.000 1.088 332 E CA -1.972 54.608 56.400 0.300 0.000 0.915 332 E CB 0.577 30.500 29.700 0.372 0.000 1.141 332 E HN 0.257 nan 8.360 nan 0.000 0.433 333 P HA -0.058 nan 4.420 nan 0.000 0.267 333 P C -0.492 176.911 177.300 0.172 0.000 1.200 333 P CA 0.062 63.251 63.100 0.148 0.000 0.772 333 P CB 0.385 32.138 31.700 0.087 0.000 0.855 334 I N 3.262 123.922 120.570 0.151 0.000 2.683 334 I HA -0.031 4.139 4.170 0.000 0.000 0.286 334 I C 1.227 177.409 176.117 0.108 0.000 1.175 334 I CA 0.654 62.055 61.300 0.170 0.000 1.429 334 I CB -0.349 37.755 38.000 0.173 0.000 1.371 334 I HN 0.287 nan 8.210 nan 0.000 0.569 335 R N 7.216 127.763 120.500 0.078 0.000 2.349 335 R HA 0.339 4.679 4.340 0.000 0.000 0.299 335 R C -2.244 174.115 176.300 0.098 0.000 1.027 335 R CA -1.710 54.376 56.100 -0.023 0.000 0.958 335 R CB 0.453 30.612 30.300 -0.236 0.000 1.047 335 R HN 0.328 nan 8.270 nan 0.000 0.468 336 P HA -0.155 nan 4.420 nan 0.000 0.259 336 P C -1.428 175.930 177.300 0.096 0.000 1.163 336 P CA 0.923 64.045 63.100 0.037 0.000 0.760 336 P CB 0.084 31.772 31.700 -0.020 0.000 0.762 337 Y N 0.741 120.976 120.300 -0.109 0.000 2.544 337 Y HA 0.686 5.236 4.550 -0.000 0.000 0.342 337 Y C -0.814 174.918 175.900 -0.281 0.000 1.062 337 Y CA -1.481 56.503 58.100 -0.192 0.000 1.023 337 Y CB 1.637 39.971 38.460 -0.210 0.000 1.308 337 Y HN 0.469 nan 8.280 nan 0.000 0.457 338 E N 2.164 122.136 120.200 -0.381 0.000 2.393 338 E HA 0.729 5.079 4.350 0.000 0.000 0.273 338 E C -2.103 174.249 176.600 -0.412 0.000 0.918 338 E CA -0.916 55.239 56.400 -0.409 0.000 0.773 338 E CB 2.611 32.201 29.700 -0.183 0.000 1.275 338 E HN 0.398 nan 8.360 nan 0.000 0.451 339 F N 0.084 120.081 119.950 0.078 0.000 2.561 339 F HA 0.468 4.995 4.527 0.000 0.000 0.321 339 F C 1.006 176.864 175.800 0.097 0.000 1.065 339 F CA -0.627 57.447 58.000 0.123 0.000 0.934 339 F CB 2.556 41.641 39.000 0.142 0.000 1.215 339 F HN 0.748 nan 8.300 nan 0.000 0.471 340 T N -2.302 112.455 114.554 0.340 0.000 2.986 340 T HA 0.633 4.983 4.350 0.000 0.000 0.264 340 T C 0.340 175.169 174.700 0.215 0.000 0.964 340 T CA 0.202 62.434 62.100 0.220 0.000 0.895 340 T CB 0.272 69.240 68.868 0.167 0.000 1.163 340 T HN 0.973 nan 8.240 nan 0.000 0.517 341 G N 0.291 109.230 108.800 0.231 0.000 2.349 341 G HA2 0.509 4.469 3.960 0.000 0.000 0.294 341 G HA3 0.509 4.469 3.960 0.000 0.000 0.294 341 G C -0.940 174.026 174.900 0.109 0.000 1.380 341 G CA -0.936 44.268 45.100 0.172 0.000 0.811 341 G HN 0.031 nan 8.290 nan 0.000 0.519 342 R N -0.775 119.766 120.500 0.067 0.000 2.531 342 R HA 0.276 4.616 4.340 0.000 0.000 0.316 342 R C 1.153 177.454 176.300 0.001 0.000 0.955 342 R CA 0.187 56.293 56.100 0.010 0.000 1.120 342 R CB 1.523 31.817 30.300 -0.009 0.000 1.361 342 R HN 0.662 nan 8.270 nan 0.000 0.534 343 G N 0.355 109.159 108.800 0.007 0.000 2.599 343 G HA2 0.137 4.097 3.960 0.000 0.000 0.264 343 G HA3 0.137 4.097 3.960 0.000 0.000 0.264 343 G C -0.507 174.377 174.900 -0.027 0.000 1.200 343 G CA -0.354 44.729 45.100 -0.028 0.000 0.896 343 G HN -0.075 nan 8.290 nan 0.000 0.536 344 D N -0.805 119.574 120.400 -0.034 0.000 2.387 344 D HA 0.322 4.962 4.640 0.000 0.000 0.251 344 D C 0.345 176.624 176.300 -0.036 0.000 1.141 344 D CA -0.097 53.878 54.000 -0.042 0.000 0.987 344 D CB 1.071 41.851 40.800 -0.032 0.000 1.116 344 D HN 0.221 nan 8.370 nan 0.000 0.491 345 R N 1.107 121.582 120.500 -0.041 0.000 3.070 345 R HA 0.282 4.622 4.340 0.000 0.000 0.252 345 R C -0.215 176.079 176.300 -0.010 0.000 1.370 345 R CA -0.671 55.426 56.100 -0.006 0.000 1.482 345 R CB 0.269 30.568 30.300 -0.002 0.000 1.220 345 R HN 0.258 nan 8.270 nan 0.000 0.622 346 I N 2.085 122.643 120.570 -0.021 0.000 2.752 346 I HA 0.034 4.204 4.170 0.000 0.000 0.289 346 I C 1.394 177.488 176.117 -0.039 0.000 1.197 346 I CA 1.242 62.519 61.300 -0.038 0.000 1.432 346 I CB -0.485 37.492 38.000 -0.038 0.000 1.359 346 I HN 0.848 nan 8.210 nan 0.000 0.571 347 G N 6.702 115.438 108.800 -0.107 0.000 2.472 347 G HA2 -0.183 3.777 3.960 0.000 0.000 0.205 347 G HA3 -0.183 3.777 3.960 0.000 0.000 0.205 347 G C -1.314 173.505 174.900 -0.135 0.000 1.270 347 G CA -0.780 44.239 45.100 -0.135 0.000 0.974 347 G HN 0.543 nan 8.290 nan 0.000 0.542 348 W N 0.271 121.633 121.300 0.104 0.000 2.376 348 W HA 0.596 5.257 4.660 0.000 0.000 0.322 348 W C 0.632 177.314 176.519 0.271 0.000 1.160 348 W CA 0.046 57.516 57.345 0.208 0.000 1.218 348 W CB 1.821 31.409 29.460 0.214 0.000 1.205 348 W HN 0.878 nan 8.180 nan 0.000 0.559 349 V N 0.118 120.370 119.914 0.564 0.000 3.049 349 V HA 0.556 4.676 4.120 0.000 0.000 0.309 349 V C -0.824 175.289 176.094 0.031 0.000 1.148 349 V CA -1.914 60.555 62.300 0.282 0.000 0.990 349 V CB 1.754 33.685 31.823 0.180 0.000 1.039 349 V HN 0.513 nan 8.190 nan 0.000 0.430 350 K N 1.800 121.984 120.400 -0.361 0.000 2.276 350 K HA 0.674 4.994 4.320 0.000 0.000 0.283 350 K C 0.510 176.817 176.600 -0.488 0.000 1.044 350 K CA 0.453 56.220 56.287 -0.867 0.000 0.944 350 K CB 1.209 33.146 32.500 -0.937 0.000 1.012 350 K HN 1.141 nan 8.250 nan 0.000 0.472 351 G N 3.254 111.701 108.800 -0.588 0.000 2.782 351 G HA2 0.350 4.310 3.960 0.000 0.000 0.201 351 G HA3 0.350 4.310 3.960 0.000 0.000 0.201 351 G C -0.097 174.669 174.900 -0.224 0.000 1.374 351 G CA -0.898 44.000 45.100 -0.337 0.000 1.039 351 G HN 0.724 nan 8.290 nan 0.000 0.576 352 I N -1.555 118.958 120.570 -0.094 0.000 2.519 352 I HA 0.366 4.536 4.170 0.000 0.000 0.287 352 I C 0.016 176.091 176.117 -0.070 0.000 1.047 352 I CA -0.548 60.719 61.300 -0.056 0.000 1.381 352 I CB 0.815 38.823 38.000 0.013 0.000 1.417 352 I HN 0.561 nan 8.210 nan 0.000 0.540 353 D N 3.485 123.849 120.400 -0.060 0.000 3.775 353 D HA -0.266 4.374 4.640 0.000 0.000 0.161 353 D C 0.347 176.610 176.300 -0.062 0.000 1.031 353 D CA 1.671 55.647 54.000 -0.039 0.000 1.081 353 D CB -0.725 40.072 40.800 -0.006 0.000 0.557 353 D HN 0.997 nan 8.370 nan 0.000 0.607 354 D N 1.418 121.811 120.400 -0.011 0.000 2.358 354 D HA 0.047 4.688 4.640 0.000 0.000 0.224 354 D C -0.007 176.346 176.300 0.089 0.000 1.123 354 D CA -0.075 53.953 54.000 0.047 0.000 0.833 354 D CB -0.905 39.949 40.800 0.089 0.000 0.946 354 D HN 0.293 nan 8.370 nan 0.000 0.505 355 N N 0.079 118.756 118.700 -0.039 0.000 2.530 355 N HA 0.253 4.993 4.740 0.000 0.000 0.273 355 N C -0.960 174.397 175.510 -0.255 0.000 1.173 355 N CA -0.167 52.866 53.050 -0.028 0.000 0.967 355 N CB 0.640 39.096 38.487 -0.051 0.000 1.109 355 N HN 0.073 nan 8.380 nan 0.000 0.453 356 W N 0.123 121.331 121.300 -0.154 0.000 2.962 356 W HA 0.365 5.025 4.660 -0.000 0.000 0.341 356 W C -0.480 176.004 176.519 -0.058 0.000 1.155 356 W CA -0.534 56.739 57.345 -0.121 0.000 1.165 356 W CB 1.075 30.544 29.460 0.016 0.000 1.435 356 W HN 0.340 nan 8.180 nan 0.000 0.546 357 H N 2.490 121.885 119.070 0.541 0.000 2.609 357 H HA 0.463 5.020 4.556 0.000 0.000 0.344 357 H C -1.294 174.116 175.328 0.137 0.000 1.040 357 H CA -0.996 55.212 56.048 0.267 0.000 1.216 357 H CB 1.994 31.807 29.762 0.085 0.000 1.529 357 H HN 0.259 nan 8.280 nan 0.000 0.519 358 L N 3.211 124.361 121.223 -0.123 0.000 2.301 358 L HA 0.310 4.650 4.340 0.000 0.000 0.278 358 L C -0.277 176.346 176.870 -0.412 0.000 1.022 358 L CA -0.154 54.293 54.840 -0.654 0.000 0.854 358 L CB 0.798 42.090 42.059 -1.279 0.000 1.226 358 L HN 0.485 nan 8.230 nan 0.000 0.429 359 T N 6.190 120.574 114.554 -0.282 0.000 2.749 359 T HA 0.458 4.808 4.350 0.000 0.000 0.295 359 T C 0.045 174.609 174.700 -0.226 0.000 0.936 359 T CA -0.079 61.889 62.100 -0.221 0.000 1.060 359 T CB 0.298 69.087 68.868 -0.131 0.000 0.904 359 T HN 0.383 nan 8.240 nan 0.000 0.500 360 L N 3.836 124.917 121.223 -0.237 0.000 2.282 360 L HA 0.497 4.837 4.340 0.000 0.000 0.288 360 L C -0.045 176.771 176.870 -0.089 0.000 1.033 360 L CA -1.061 53.668 54.840 -0.185 0.000 0.807 360 L CB 0.815 42.720 42.059 -0.257 0.000 1.209 360 L HN 0.586 nan 8.230 nan 0.000 0.423 361 F N 5.480 125.347 119.950 -0.139 0.000 2.471 361 F HA 0.446 4.973 4.527 -0.000 0.000 0.365 361 F C -0.278 175.475 175.800 -0.079 0.000 1.095 361 F CA -0.289 57.651 58.000 -0.100 0.000 1.174 361 F CB 0.246 39.196 39.000 -0.085 0.000 1.105 361 F HN 0.215 nan 8.300 nan 0.000 0.535 362 I N 6.173 126.258 120.570 -0.809 0.000 2.382 362 I HA 0.160 4.330 4.170 0.000 0.000 0.285 362 I C -0.266 175.317 176.117 -0.890 0.000 1.007 362 I CA -0.789 60.111 61.300 -0.667 0.000 1.142 362 I CB 1.523 39.346 38.000 -0.295 0.000 1.289 362 I HN 0.580 nan 8.210 nan 0.000 0.453 363 E N 7.027 126.694 120.200 -0.888 0.000 2.406 363 E HA -0.035 4.315 4.350 0.000 0.000 0.258 363 E C 0.222 176.700 176.600 -0.204 0.000 1.043 363 E CA 0.364 56.462 56.400 -0.504 0.000 0.929 363 E CB 0.215 29.817 29.700 -0.163 0.000 0.969 363 E HN 0.573 nan 8.360 nan 0.000 0.462 364 N N 3.323 121.950 118.700 -0.122 0.000 2.778 364 N HA -0.230 4.510 4.740 0.000 0.000 0.249 364 N C 0.689 176.182 175.510 -0.028 0.000 1.069 364 N CA 1.077 54.108 53.050 -0.031 0.000 0.831 364 N CB -1.482 37.013 38.487 0.013 0.000 1.142 364 N HN 0.869 nan 8.380 nan 0.000 0.573 365 G N 0.081 108.828 108.800 -0.088 0.000 2.200 365 G HA2 -0.397 3.563 3.960 0.000 0.000 0.267 365 G HA3 -0.397 3.563 3.960 0.000 0.000 0.267 365 G C 0.184 175.099 174.900 0.026 0.000 0.993 365 G CA 1.030 46.105 45.100 -0.042 0.000 0.701 365 G HN 0.608 nan 8.290 nan 0.000 0.524 366 R N 0.288 120.813 120.500 0.041 0.000 2.210 366 R HA 0.602 4.942 4.340 0.000 0.000 0.338 366 R C 0.171 176.558 176.300 0.145 0.000 1.062 366 R CA -0.661 55.508 56.100 0.115 0.000 0.902 366 R CB -0.046 30.346 30.300 0.153 0.000 1.050 366 R HN 0.262 nan 8.270 nan 0.000 0.461 367 I N 6.310 126.961 120.570 0.135 0.000 2.307 367 I HA 0.325 4.495 4.170 0.000 0.000 0.289 367 I C -0.796 175.364 176.117 0.072 0.000 1.021 367 I CA -0.600 60.778 61.300 0.131 0.000 1.224 367 I CB 0.956 39.065 38.000 0.182 0.000 1.376 367 I HN 0.484 nan 8.210 nan 0.000 0.470 368 L N 6.171 127.382 121.223 -0.019 0.000 2.622 368 L HA 0.496 4.836 4.340 0.000 0.000 0.258 368 L C -1.622 175.025 176.870 -0.371 0.000 0.996 368 L CA -0.494 54.202 54.840 -0.240 0.000 0.858 368 L CB 2.288 44.083 42.059 -0.441 0.000 1.449 368 L HN 0.282 nan 8.230 nan 0.000 0.411 369 D N 2.069 122.278 120.400 -0.319 0.000 2.295 369 D HA 0.350 4.990 4.640 0.000 0.000 0.248 369 D C -1.159 174.951 176.300 -0.317 0.000 1.154 369 D CA 0.576 54.458 54.000 -0.198 0.000 0.857 369 D CB 0.648 41.399 40.800 -0.081 0.000 1.117 369 D HN 0.280 nan 8.370 nan 0.000 0.468 370 Y N 1.156 121.476 120.300 0.034 0.000 2.567 370 Y HA 0.335 4.885 4.550 -0.000 0.000 0.333 370 Y C -1.811 174.105 175.900 0.026 0.000 1.106 370 Y CA -2.610 55.510 58.100 0.032 0.000 1.157 370 Y CB 0.704 39.183 38.460 0.031 0.000 1.277 370 Y HN 0.157 nan 8.280 nan 0.000 0.490 371 P HA 0.086 nan 4.420 nan 0.000 0.258 371 P C -0.002 177.360 177.300 0.103 0.000 1.187 371 P CA 1.735 64.904 63.100 0.115 0.000 0.767 371 P CB 0.408 32.166 31.700 0.096 0.000 0.770 372 A N 3.687 126.553 122.820 0.077 0.000 3.396 372 A HA -0.261 4.059 4.320 0.000 0.000 0.267 372 A C 0.625 178.251 177.584 0.070 0.000 1.139 372 A CA 1.091 53.165 52.037 0.061 0.000 1.115 372 A CB -1.950 17.078 19.000 0.047 0.000 1.133 372 A HN 0.614 nan 8.150 nan 0.000 0.920 373 R N -0.392 120.172 120.500 0.107 0.000 2.629 373 R HA 0.293 4.633 4.340 0.000 0.000 0.277 373 R C -2.904 173.476 176.300 0.133 0.000 1.637 373 R CA -1.247 54.922 56.100 0.116 0.000 1.663 373 R CB 1.275 31.657 30.300 0.137 0.000 1.228 373 R HN 0.328 nan 8.270 nan 0.000 0.632 374 P HA 0.033 nan 4.420 nan 0.000 0.235 374 P C 0.802 178.137 177.300 0.058 0.000 1.765 374 P CA 0.077 63.211 63.100 0.057 0.000 1.034 374 P CB 0.066 31.791 31.700 0.041 0.000 1.984 375 L N 0.697 121.968 121.223 0.080 0.000 2.012 375 L HA -0.187 4.153 4.340 0.000 0.000 0.210 375 L C 2.637 179.551 176.870 0.074 0.000 1.073 375 L CA 1.742 56.625 54.840 0.071 0.000 0.748 375 L CB -0.967 41.155 42.059 0.105 0.000 0.891 375 L HN 0.180 nan 8.230 nan 0.000 0.431 376 K N -0.239 120.205 120.400 0.073 0.000 2.097 376 K HA -0.137 4.183 4.320 0.000 0.000 0.206 376 K C 2.012 178.691 176.600 0.131 0.000 1.049 376 K CA 1.690 58.044 56.287 0.112 0.000 0.933 376 K CB 0.042 32.576 32.500 0.056 0.000 0.717 376 K HN 0.212 nan 8.250 nan 0.000 0.442 377 T N -0.473 114.132 114.554 0.083 0.000 2.894 377 T HA -0.010 4.340 4.350 0.000 0.000 0.258 377 T C 1.690 176.442 174.700 0.087 0.000 1.043 377 T CA 1.032 63.181 62.100 0.083 0.000 1.141 377 T CB -0.233 68.665 68.868 0.051 0.000 0.873 377 T HN 0.477 nan 8.240 nan 0.000 0.449 378 G N 1.594 110.432 108.800 0.063 0.000 2.440 378 G HA2 -0.157 3.803 3.960 0.000 0.000 0.218 378 G HA3 -0.157 3.803 3.960 0.000 0.000 0.218 378 G C 1.446 176.368 174.900 0.036 0.000 1.154 378 G CA 0.559 45.682 45.100 0.038 0.000 0.767 378 G HN 0.438 nan 8.290 nan 0.000 0.552 379 L N -0.425 120.830 121.223 0.053 0.000 2.156 379 L HA 0.049 4.389 4.340 0.000 0.000 0.208 379 L C 2.617 179.612 176.870 0.208 0.000 1.095 379 L CA 0.161 55.017 54.840 0.027 0.000 0.770 379 L CB -0.258 41.820 42.059 0.032 0.000 0.914 379 L HN 0.220 nan 8.230 nan 0.000 0.439 380 L N -0.358 121.031 121.223 0.278 0.000 2.056 380 L HA -0.133 4.207 4.340 0.000 0.000 0.207 380 L C 2.522 179.508 176.870 0.193 0.000 1.078 380 L CA 1.738 56.756 54.840 0.296 0.000 0.749 380 L CB -0.572 41.613 42.059 0.210 0.000 0.901 380 L HN 0.125 nan 8.230 nan 0.000 0.433 381 E N 0.001 120.282 120.200 0.134 0.000 2.077 381 E HA -0.186 4.164 4.350 0.000 0.000 0.193 381 E C 2.340 179.005 176.600 0.109 0.000 0.989 381 E CA 1.736 58.196 56.400 0.100 0.000 0.800 381 E CB -0.312 29.430 29.700 0.070 0.000 0.746 381 E HN 0.588 nan 8.360 nan 0.000 0.452 382 I N 0.815 121.452 120.570 0.112 0.000 2.353 382 I HA -0.189 3.981 4.170 0.000 0.000 0.248 382 I C 2.396 178.658 176.117 0.242 0.000 1.119 382 I CA 0.840 62.221 61.300 0.135 0.000 1.417 382 I CB -0.289 37.732 38.000 0.035 0.000 1.078 382 I HN -0.021 nan 8.210 nan 0.000 0.421 383 A N 1.030 124.012 122.820 0.270 0.000 1.933 383 A HA -0.211 4.109 4.320 0.000 0.000 0.218 383 A C 2.265 179.911 177.584 0.103 0.000 1.175 383 A CA 1.551 53.685 52.037 0.161 0.000 0.628 383 A CB -0.401 18.726 19.000 0.212 0.000 0.814 383 A HN 0.347 nan 8.150 nan 0.000 0.444 384 K N -0.485 119.987 120.400 0.120 0.000 2.288 384 K HA 0.032 4.352 4.320 0.000 0.000 0.201 384 K C 1.495 178.138 176.600 0.072 0.000 1.048 384 K CA 1.454 57.790 56.287 0.082 0.000 0.956 384 K CB -0.204 32.342 32.500 0.077 0.000 0.746 384 K HN 0.833 nan 8.250 nan 0.000 0.461 385 I N -2.857 117.775 120.570 0.102 0.000 4.082 385 I HA 0.161 4.331 4.170 0.000 0.000 0.337 385 I C 0.300 176.496 176.117 0.131 0.000 1.352 385 I CA -0.544 60.813 61.300 0.095 0.000 1.097 385 I CB 0.017 38.072 38.000 0.092 0.000 1.048 385 I HN -0.114 nan 8.210 nan 0.000 0.393 386 H N 3.546 122.648 119.070 0.054 0.000 2.690 386 H HA 0.357 4.913 4.556 0.000 0.000 0.314 386 H C -0.466 174.879 175.328 0.029 0.000 1.069 386 H CA -0.112 55.978 56.048 0.069 0.000 1.436 386 H CB 0.802 30.646 29.762 0.136 0.000 1.462 386 H HN 0.134 nan 8.280 nan 0.000 0.511 387 K N 4.753 124.877 120.400 -0.460 0.000 2.219 387 K HA 0.439 4.759 4.320 0.000 0.000 0.280 387 K C 0.009 176.138 176.600 -0.784 0.000 1.104 387 K CA 0.278 56.321 56.287 -0.407 0.000 0.925 387 K CB 0.560 32.965 32.500 -0.158 0.000 1.261 387 K HN 0.973 nan 8.250 nan 0.000 0.445 388 G N 2.429 110.854 108.800 -0.624 0.000 2.302 388 G HA2 -0.094 3.866 3.960 0.000 0.000 0.276 388 G HA3 -0.094 3.866 3.960 0.000 0.000 0.276 388 G C -1.678 173.144 174.900 -0.131 0.000 1.316 388 G CA -0.886 43.996 45.100 -0.363 0.000 0.988 388 G HN 0.435 nan 8.290 nan 0.000 0.479 389 D N -0.742 119.720 120.400 0.104 0.000 2.506 389 D HA 0.826 5.466 4.640 0.000 0.000 0.254 389 D C -0.661 175.816 176.300 0.296 0.000 1.089 389 D CA -0.117 53.928 54.000 0.075 0.000 1.050 389 D CB 1.123 41.942 40.800 0.031 0.000 1.221 389 D HN 0.132 nan 8.370 nan 0.000 0.589 390 F N -0.040 119.895 119.950 -0.025 0.000 2.579 390 F HA 0.520 5.047 4.527 0.000 0.000 0.324 390 F C 0.361 176.085 175.800 -0.127 0.000 1.058 390 F CA -0.863 57.048 58.000 -0.149 0.000 0.944 390 F CB 1.359 40.197 39.000 -0.270 0.000 1.245 390 F HN -0.077 nan 8.300 nan 0.000 0.477 391 R N 2.211 122.718 120.500 0.012 0.000 2.502 391 R HA 0.551 4.891 4.340 0.000 0.000 0.300 391 R C -1.160 175.114 176.300 -0.043 0.000 0.984 391 R CA -0.656 55.418 56.100 -0.042 0.000 0.882 391 R CB 2.344 32.557 30.300 -0.146 0.000 1.180 391 R HN 0.490 nan 8.270 nan 0.000 0.444 392 I N 3.420 124.005 120.570 0.025 0.000 2.337 392 I HA 0.088 4.258 4.170 0.000 0.000 0.291 392 I C 1.216 177.336 176.117 0.005 0.000 1.046 392 I CA -0.215 61.104 61.300 0.033 0.000 1.324 392 I CB 1.087 39.157 38.000 0.116 0.000 1.409 392 I HN 0.632 nan 8.210 nan 0.000 0.494 393 T N 2.530 117.069 114.554 -0.026 0.000 2.816 393 T HA 0.373 4.723 4.350 0.000 0.000 0.282 393 T C 1.095 175.788 174.700 -0.011 0.000 0.993 393 T CA -0.344 61.739 62.100 -0.027 0.000 0.994 393 T CB 1.748 70.588 68.868 -0.048 0.000 1.025 393 T HN 0.631 nan 8.240 nan 0.000 0.529 394 A N 0.942 123.754 122.820 -0.012 0.000 2.206 394 A HA 0.109 4.429 4.320 0.000 0.000 0.211 394 A C 1.726 179.303 177.584 -0.011 0.000 1.158 394 A CA 0.147 52.177 52.037 -0.012 0.000 0.761 394 A CB -0.602 18.387 19.000 -0.019 0.000 0.801 394 A HN 0.820 nan 8.150 nan 0.000 0.473 395 N N 0.042 118.736 118.700 -0.011 0.000 2.251 395 N HA 0.093 4.833 4.740 0.000 0.000 0.217 395 N C -0.488 175.020 175.510 -0.003 0.000 1.124 395 N CA 0.123 53.174 53.050 0.002 0.000 0.843 395 N CB 0.351 38.845 38.487 0.011 0.000 1.024 395 N HN 0.516 nan 8.380 nan 0.000 0.501 396 Q N -0.466 119.326 119.800 -0.014 0.000 2.494 396 Q HA -0.164 4.176 4.340 0.000 0.000 0.272 396 Q C -0.735 175.226 176.000 -0.065 0.000 1.145 396 Q CA 0.712 56.500 55.803 -0.025 0.000 0.943 396 Q CB -1.153 27.571 28.738 -0.023 0.000 1.338 396 Q HN 0.367 nan 8.270 nan 0.000 0.492 397 N N -0.140 118.520 118.700 -0.067 0.000 2.592 397 N HA 0.763 5.503 4.740 0.000 0.000 0.292 397 N C -1.105 174.331 175.510 -0.123 0.000 1.260 397 N CA -0.707 52.277 53.050 -0.110 0.000 0.910 397 N CB 1.106 39.550 38.487 -0.073 0.000 1.257 397 N HN 0.077 nan 8.380 nan 0.000 0.569 398 L N 0.700 121.808 121.223 -0.192 0.000 2.410 398 L HA 0.587 4.927 4.340 0.000 0.000 0.270 398 L C -1.266 175.407 176.870 -0.328 0.000 0.983 398 L CA -0.366 54.311 54.840 -0.272 0.000 0.822 398 L CB 1.201 43.015 42.059 -0.409 0.000 1.285 398 L HN 0.458 nan 8.230 nan 0.000 0.409 399 I N 5.777 126.168 120.570 -0.299 0.000 2.354 399 I HA 0.370 4.540 4.170 0.000 0.000 0.292 399 I C -0.313 175.604 176.117 -0.333 0.000 0.989 399 I CA -0.481 60.647 61.300 -0.288 0.000 1.188 399 I CB 1.540 39.403 38.000 -0.229 0.000 1.342 399 I HN 0.471 nan 8.210 nan 0.000 0.457 400 I N 6.351 126.696 120.570 -0.376 0.000 2.269 400 I HA 0.298 4.468 4.170 0.000 0.000 0.293 400 I C 0.599 176.674 176.117 -0.070 0.000 1.106 400 I CA -0.157 60.916 61.300 -0.378 0.000 1.248 400 I CB 0.621 38.286 38.000 -0.558 0.000 1.444 400 I HN 0.601 nan 8.210 nan 0.000 0.497 401 A N 4.516 127.400 122.820 0.106 0.000 2.331 401 A HA 0.622 4.942 4.320 0.000 0.000 0.283 401 A C 1.042 178.928 177.584 0.503 0.000 1.142 401 A CA 0.168 52.362 52.037 0.262 0.000 0.812 401 A CB 0.483 19.444 19.000 -0.064 0.000 1.074 401 A HN 1.041 nan 8.150 nan 0.000 0.497 402 G N 1.097 110.288 108.800 0.650 0.000 2.324 402 G HA2 -0.059 3.901 3.960 0.000 0.000 0.292 402 G HA3 -0.059 3.901 3.960 0.000 0.000 0.292 402 G C -0.145 174.992 174.900 0.394 0.000 1.079 402 G CA 0.079 45.424 45.100 0.408 0.000 1.026 402 G HN 1.324 nan 8.290 nan 0.000 0.506 403 V N 1.372 121.561 119.914 0.459 0.000 2.406 403 V HA 0.346 4.466 4.120 0.000 0.000 0.272 403 V C -1.333 174.943 176.094 0.303 0.000 1.043 403 V CA -1.560 61.003 62.300 0.438 0.000 0.915 403 V CB 1.562 33.701 31.823 0.526 0.000 0.988 403 V HN 0.244 nan 8.190 nan 0.000 0.466 404 P HA 0.049 nan 4.420 nan 0.000 0.268 404 P C 0.929 178.292 177.300 0.105 0.000 1.205 404 P CA 0.046 63.235 63.100 0.149 0.000 0.771 404 P CB 0.697 32.449 31.700 0.087 0.000 0.858 405 E N 2.125 122.410 120.200 0.142 0.000 2.187 405 E HA -0.261 4.090 4.350 0.000 0.000 0.199 405 E C 1.468 177.964 176.600 -0.174 0.000 1.004 405 E CA 1.915 58.275 56.400 -0.067 0.000 0.813 405 E CB -0.127 29.633 29.700 0.100 0.000 0.736 405 E HN 0.508 nan 8.360 nan 0.000 0.468 406 S N -0.017 115.643 115.700 -0.066 0.000 2.447 406 S HA -0.086 4.384 4.470 0.000 0.000 0.233 406 S C 1.438 175.995 174.600 -0.071 0.000 1.006 406 S CA 0.731 58.889 58.200 -0.070 0.000 0.957 406 S CB 0.042 63.227 63.200 -0.026 0.000 0.773 406 S HN 0.221 nan 8.310 nan 0.000 0.507 407 E N 1.392 121.566 120.200 -0.045 0.000 2.479 407 E HA 0.174 4.524 4.350 0.000 0.000 0.193 407 E C 1.486 178.071 176.600 -0.024 0.000 1.049 407 E CA 0.058 56.459 56.400 0.002 0.000 0.870 407 E CB -0.107 29.645 29.700 0.086 0.000 0.944 407 E HN 0.629 nan 8.360 nan 0.000 0.492 408 K N 1.216 121.489 120.400 -0.211 0.000 2.020 408 K HA -0.163 4.157 4.320 0.000 0.000 0.212 408 K C 2.148 178.674 176.600 -0.124 0.000 1.050 408 K CA 1.702 57.746 56.287 -0.404 0.000 0.929 408 K CB -0.195 31.687 32.500 -1.030 0.000 0.714 408 K HN 0.067 nan 8.250 nan 0.000 0.443 409 A N 1.435 124.170 122.820 -0.142 0.000 1.933 409 A HA -0.208 4.112 4.320 0.000 0.000 0.218 409 A C 1.989 179.584 177.584 0.019 0.000 1.175 409 A CA 1.648 53.654 52.037 -0.051 0.000 0.628 409 A CB -0.302 18.653 19.000 -0.075 0.000 0.814 409 A HN 0.110 nan 8.150 nan 0.000 0.444 410 K N -0.179 120.235 120.400 0.024 0.000 1.978 410 K HA -0.104 4.216 4.320 0.000 0.000 0.214 410 K C 1.603 178.252 176.600 0.082 0.000 1.049 410 K CA 1.825 58.142 56.287 0.050 0.000 0.939 410 K CB -0.571 31.963 32.500 0.057 0.000 0.721 410 K HN 0.410 nan 8.250 nan 0.000 0.441 411 I N 0.953 121.601 120.570 0.130 0.000 2.163 411 I HA -0.258 3.912 4.170 0.000 0.000 0.243 411 I C 2.299 178.486 176.117 0.117 0.000 1.085 411 I CA 1.473 62.855 61.300 0.136 0.000 1.347 411 I CB -0.326 37.796 38.000 0.203 0.000 1.044 411 I HN 0.314 nan 8.210 nan 0.000 0.408 412 E N 0.601 120.927 120.200 0.211 0.000 2.160 412 E HA -0.293 4.057 4.350 0.000 0.000 0.195 412 E C 2.227 178.875 176.600 0.081 0.000 0.991 412 E CA 1.189 57.697 56.400 0.179 0.000 0.810 412 E CB 0.012 29.893 29.700 0.301 0.000 0.742 412 E HN 0.343 nan 8.360 nan 0.000 0.466 413 K N 0.275 120.714 120.400 0.065 0.000 2.026 413 K HA -0.158 4.162 4.320 0.000 0.000 0.208 413 K C 2.089 178.706 176.600 0.028 0.000 1.048 413 K CA 1.567 57.877 56.287 0.039 0.000 0.929 413 K CB -0.073 32.446 32.500 0.032 0.000 0.713 413 K HN 0.171 nan 8.250 nan 0.000 0.439 414 I N 0.541 121.128 120.570 0.028 0.000 2.202 414 I HA -0.220 3.950 4.170 0.000 0.000 0.242 414 I C 2.491 178.605 176.117 -0.004 0.000 1.091 414 I CA 1.056 62.366 61.300 0.017 0.000 1.368 414 I CB -0.416 37.598 38.000 0.023 0.000 1.058 414 I HN 0.201 nan 8.210 nan 0.000 0.410 415 A N 0.805 123.610 122.820 -0.026 0.000 1.908 415 A HA -0.276 4.044 4.320 0.000 0.000 0.218 415 A C 2.287 179.850 177.584 -0.035 0.000 1.181 415 A CA 2.061 54.060 52.037 -0.063 0.000 0.627 415 A CB -0.491 18.436 19.000 -0.120 0.000 0.818 415 A HN 0.231 nan 8.150 nan 0.000 0.445 416 K N -0.091 120.302 120.400 -0.012 0.000 2.002 416 K HA -0.111 4.209 4.320 0.000 0.000 0.209 416 K C 1.937 178.540 176.600 0.006 0.000 1.048 416 K CA 1.848 58.135 56.287 0.001 0.000 0.930 416 K CB -0.237 32.273 32.500 0.016 0.000 0.714 416 K HN 0.639 nan 8.250 nan 0.000 0.438 417 E N -0.577 119.629 120.200 0.010 0.000 2.153 417 E HA -0.094 4.256 4.350 0.000 0.000 0.194 417 E C 1.461 178.071 176.600 0.017 0.000 0.988 417 E CA 1.212 57.621 56.400 0.015 0.000 0.811 417 E CB 0.094 29.804 29.700 0.017 0.000 0.746 417 E HN 0.162 nan 8.360 nan 0.000 0.466 418 S N -0.719 114.989 115.700 0.013 0.000 2.603 418 S HA 0.118 4.588 4.470 0.000 0.000 0.220 418 S C 1.311 175.926 174.600 0.025 0.000 0.967 418 S CA 0.495 58.707 58.200 0.020 0.000 0.920 418 S CB 0.701 63.909 63.200 0.013 0.000 0.773 418 S HN 0.501 nan 8.310 nan 0.000 0.529 419 G N 1.242 110.052 108.800 0.018 0.000 2.136 419 G HA2 -0.237 3.723 3.960 0.000 0.000 0.242 419 G HA3 -0.237 3.723 3.960 0.000 0.000 0.242 419 G C 0.524 175.433 174.900 0.015 0.000 0.989 419 G CA 0.266 45.380 45.100 0.023 0.000 0.682 419 G HN 0.506 nan 8.290 nan 0.000 0.522 420 L N -0.871 120.345 121.223 -0.011 0.000 2.554 420 L HA 0.393 4.733 4.340 0.000 0.000 0.226 420 L C 2.303 179.148 176.870 -0.041 0.000 1.137 420 L CA 0.706 55.520 54.840 -0.042 0.000 0.863 420 L CB 0.033 42.038 42.059 -0.090 0.000 0.985 420 L HN 0.374 nan 8.230 nan 0.000 0.451 421 M N -1.190 118.395 119.600 -0.026 0.000 2.596 421 M HA 0.175 4.655 4.480 0.000 0.000 0.364 421 M C -0.313 175.987 176.300 0.001 0.000 1.158 421 M CA -0.312 54.973 55.300 -0.026 0.000 0.940 421 M CB 0.434 33.005 32.600 -0.050 0.000 1.388 421 M HN 0.016 nan 8.290 nan 0.000 0.522 422 N N 2.202 120.916 118.700 0.023 0.000 2.412 422 N HA 0.173 4.913 4.740 0.000 0.000 0.254 422 N C -0.195 175.324 175.510 0.014 0.000 1.232 422 N CA 0.275 53.339 53.050 0.023 0.000 0.880 422 N CB 0.855 39.363 38.487 0.036 0.000 1.076 422 N HN 0.274 nan 8.380 nan 0.000 0.458 423 A N 1.899 124.712 122.820 -0.012 0.000 2.409 423 A HA 0.438 4.758 4.320 0.000 0.000 0.262 423 A C 0.386 177.927 177.584 -0.072 0.000 1.113 423 A CA -0.488 51.524 52.037 -0.042 0.000 0.790 423 A CB 0.067 19.045 19.000 -0.036 0.000 1.046 423 A HN 0.484 nan 8.150 nan 0.000 0.496 424 V N 0.464 120.291 119.914 -0.145 0.000 3.046 424 V HA 0.868 4.988 4.120 0.000 0.000 0.316 424 V C 0.307 176.278 176.094 -0.206 0.000 1.104 424 V CA -0.267 61.905 62.300 -0.214 0.000 1.006 424 V CB 1.172 32.729 31.823 -0.443 0.000 1.058 424 V HN 1.077 nan 8.190 nan 0.000 0.440 425 T N -0.864 113.579 114.554 -0.184 0.000 2.828 425 T HA 0.390 4.740 4.350 0.000 0.000 0.290 425 T C -1.899 172.701 174.700 -0.168 0.000 1.019 425 T CA -1.205 60.813 62.100 -0.137 0.000 1.031 425 T CB 0.802 69.608 68.868 -0.104 0.000 1.001 425 T HN 0.607 nan 8.240 nan 0.000 0.531 426 P HA -0.079 nan 4.420 nan 0.000 0.225 426 P C 1.583 178.834 177.300 -0.083 0.000 1.148 426 P CA 0.636 63.679 63.100 -0.095 0.000 0.779 426 P CB 0.106 31.815 31.700 0.014 0.000 0.780 427 Q N 0.223 119.991 119.800 -0.053 0.000 2.020 427 Q HA -0.118 4.222 4.340 0.000 0.000 0.198 427 Q C 2.312 178.251 176.000 -0.101 0.000 0.974 427 Q CA 1.635 57.415 55.803 -0.038 0.000 0.829 427 Q CB -0.770 27.933 28.738 -0.058 0.000 0.894 427 Q HN -0.023 nan 8.270 nan 0.000 0.433 428 R N 0.027 120.427 120.500 -0.165 0.000 2.105 428 R HA -0.149 4.191 4.340 0.000 0.000 0.239 428 R C 1.938 178.085 176.300 -0.255 0.000 1.135 428 R CA 1.761 57.748 56.100 -0.189 0.000 0.967 428 R CB -0.080 30.065 30.300 -0.258 0.000 0.861 428 R HN 0.408 nan 8.270 nan 0.000 0.442 429 E N -0.402 119.558 120.200 -0.400 0.000 2.204 429 E HA -0.144 4.206 4.350 0.000 0.000 0.194 429 E C 0.534 177.063 176.600 -0.118 0.000 0.989 429 E CA 1.108 57.294 56.400 -0.356 0.000 0.824 429 E CB 0.025 29.515 29.700 -0.349 0.000 0.756 429 E HN 0.449 nan 8.360 nan 0.000 0.477 430 N N -0.100 118.527 118.700 -0.121 0.000 2.320 430 N HA 0.092 4.832 4.740 0.000 0.000 0.237 430 N C -1.230 174.287 175.510 0.011 0.000 1.129 430 N CA -0.122 52.886 53.050 -0.069 0.000 0.854 430 N CB 1.061 39.471 38.487 -0.128 0.000 1.083 430 N HN -0.152 nan 8.380 nan 0.000 0.504 431 S N 0.602 116.323 115.700 0.034 0.000 2.503 431 S HA 0.582 5.052 4.470 0.000 0.000 0.301 431 S C -0.704 173.950 174.600 0.089 0.000 1.087 431 S CA -0.665 57.571 58.200 0.060 0.000 1.042 431 S CB 2.045 65.276 63.200 0.051 0.000 1.043 431 S HN 0.169 nan 8.310 nan 0.000 0.489 432 M N 2.277 121.925 119.600 0.080 0.000 2.531 432 M HA 0.789 5.269 4.480 0.000 0.000 0.286 432 M C -1.867 174.477 176.300 0.074 0.000 1.232 432 M CA -0.428 54.915 55.300 0.072 0.000 0.877 432 M CB 1.904 34.533 32.600 0.048 0.000 1.726 432 M HN 0.801 nan 8.290 nan 0.000 0.463 433 A N 1.498 124.360 122.820 0.068 0.000 2.594 433 A HA 0.792 5.112 4.320 0.000 0.000 0.291 433 A C -0.902 176.711 177.584 0.049 0.000 1.105 433 A CA -0.706 51.375 52.037 0.073 0.000 0.694 433 A CB 0.593 19.658 19.000 0.108 0.000 1.291 433 A HN 1.217 nan 8.150 nan 0.000 0.410 434 C N -0.376 118.947 119.300 0.039 0.000 2.365 434 C HA 0.707 5.167 4.460 0.000 0.000 0.374 434 C C 1.713 176.710 174.990 0.012 0.000 1.318 434 C CA 0.023 59.050 59.018 0.015 0.000 2.239 434 C CB -0.065 27.670 27.740 -0.008 0.000 2.144 434 C HN 0.778 nan 8.230 nan 0.000 0.581 435 V N 1.183 121.092 119.914 -0.008 0.000 2.233 435 V HA -0.075 4.045 4.120 0.000 0.000 0.247 435 V C 1.992 178.046 176.094 -0.068 0.000 1.050 435 V CA 2.602 64.882 62.300 -0.034 0.000 1.010 435 V CB -1.443 30.353 31.823 -0.045 0.000 0.637 435 V HN 1.369 nan 8.190 nan 0.000 0.444 436 S N -1.551 114.076 115.700 -0.121 0.000 3.790 436 S HA -0.254 4.216 4.470 0.000 0.000 0.628 436 S C -0.181 174.265 174.600 -0.256 0.000 2.348 436 S CA 0.984 59.036 58.200 -0.246 0.000 3.927 436 S CB -1.414 61.678 63.200 -0.180 0.000 0.236 436 S HN 0.313 nan 8.310 nan 0.000 0.953 437 F N 3.711 123.647 119.950 -0.024 0.000 2.444 437 F HA 0.354 4.882 4.527 0.001 0.000 0.331 437 F C -0.463 175.302 175.800 -0.059 0.000 1.167 437 F CA -0.731 57.252 58.000 -0.029 0.000 1.262 437 F CB 0.101 39.101 39.000 -0.001 0.000 1.196 437 F HN 0.354 nan 8.300 nan 0.000 0.583 438 P HA 0.001 nan 4.420 nan 0.000 0.251 438 P C 0.906 178.293 177.300 0.144 0.000 1.223 438 P CA 0.861 64.101 63.100 0.233 0.000 0.796 438 P CB -0.035 31.784 31.700 0.197 0.000 1.068 439 T N -3.286 111.239 114.554 -0.048 0.000 2.978 439 T HA 0.005 4.355 4.350 0.000 0.000 0.262 439 T C 1.122 175.807 174.700 -0.025 0.000 1.063 439 T CA -0.000 62.059 62.100 -0.069 0.000 1.140 439 T CB -1.292 67.397 68.868 -0.298 0.000 0.886 439 T HN 0.054 nan 8.240 nan 0.000 0.470 440 C N 5.191 124.439 119.300 -0.087 0.000 2.627 440 C HA 0.373 4.833 4.460 0.000 0.000 0.404 440 C C -0.520 174.422 174.990 -0.079 0.000 1.340 440 C CA -1.809 57.149 59.018 -0.100 0.000 1.758 440 C CB 0.661 28.294 27.740 -0.179 0.000 2.501 440 C HN 0.408 nan 8.230 nan 0.000 0.588 441 P HA -0.008 nan 4.420 nan 0.000 0.236 441 P C 0.738 178.029 177.300 -0.015 0.000 1.177 441 P CA 1.164 64.272 63.100 0.013 0.000 0.773 441 P CB 0.095 31.812 31.700 0.029 0.000 0.878 442 L N -1.320 119.862 121.223 -0.069 0.000 2.640 442 L HA 0.335 4.675 4.340 0.000 0.000 0.230 442 L C 1.170 177.956 176.870 -0.140 0.000 1.123 442 L CA -0.491 54.306 54.840 -0.072 0.000 0.900 442 L CB -0.357 41.666 42.059 -0.060 0.000 1.146 442 L HN -0.173 nan 8.230 nan 0.000 0.484 443 A N 0.259 122.901 122.820 -0.297 0.000 2.498 443 A HA 0.300 4.620 4.320 0.000 0.000 0.239 443 A C 0.915 178.294 177.584 -0.341 0.000 1.068 443 A CA 0.325 52.008 52.037 -0.589 0.000 0.766 443 A CB 0.547 18.666 19.000 -1.468 0.000 1.003 443 A HN 0.337 nan 8.150 nan 0.000 0.497 444 M N 1.153 120.632 119.600 -0.202 0.000 2.777 444 M HA 0.287 4.767 4.480 0.000 0.000 0.244 444 M C 0.748 177.113 176.300 0.107 0.000 1.457 444 M CA 1.070 56.388 55.300 0.030 0.000 1.174 444 M CB 0.439 33.041 32.600 0.004 0.000 1.321 444 M HN 0.770 nan 8.290 nan 0.000 0.546 445 A N 0.331 123.132 122.820 -0.032 0.000 2.454 445 A HA 0.591 4.911 4.320 0.000 0.000 0.302 445 A C -0.737 176.890 177.584 0.071 0.000 1.079 445 A CA -0.794 51.193 52.037 -0.084 0.000 0.731 445 A CB 1.173 19.773 19.000 -0.667 0.000 1.299 445 A HN 0.145 nan 8.150 nan 0.000 0.413 446 E N -0.186 120.128 120.200 0.189 0.000 2.404 446 E HA 0.395 4.745 4.350 0.000 0.000 0.261 446 E C 0.687 177.415 176.600 0.215 0.000 1.074 446 E CA 0.726 57.292 56.400 0.276 0.000 0.917 446 E CB 1.490 31.363 29.700 0.288 0.000 0.965 446 E HN 0.746 nan 8.360 nan 0.000 0.433 447 A N 2.026 124.976 122.820 0.217 0.000 1.791 447 A HA -0.019 4.301 4.320 0.000 0.000 0.177 447 A C 1.784 179.503 177.584 0.226 0.000 1.851 447 A CA 0.558 52.727 52.037 0.220 0.000 1.130 447 A CB -0.378 18.688 19.000 0.110 0.000 0.958 447 A HN 0.617 nan 8.150 nan 0.000 0.637 448 E N 0.570 120.854 120.200 0.139 0.000 2.085 448 E HA -0.178 4.172 4.350 0.000 0.000 0.194 448 E C 1.641 178.324 176.600 0.138 0.000 0.994 448 E CA 1.435 57.903 56.400 0.113 0.000 0.801 448 E CB -0.154 29.584 29.700 0.063 0.000 0.743 448 E HN 0.488 nan 8.360 nan 0.000 0.453 449 R N -0.918 119.685 120.500 0.171 0.000 2.313 449 R HA 0.013 4.353 4.340 0.000 0.000 0.199 449 R C 1.333 177.779 176.300 0.242 0.000 0.958 449 R CA 0.519 56.725 56.100 0.176 0.000 1.047 449 R CB 0.003 30.405 30.300 0.171 0.000 0.955 449 R HN 0.319 nan 8.270 nan 0.000 0.481 450 F N -0.504 119.501 119.950 0.092 0.000 2.637 450 F HA 0.119 4.646 4.527 0.000 0.000 0.284 450 F C 1.580 177.441 175.800 0.102 0.000 1.105 450 F CA -0.171 57.883 58.000 0.091 0.000 1.356 450 F CB 0.044 39.100 39.000 0.093 0.000 1.096 450 F HN -0.160 nan 8.300 nan 0.000 0.616 451 L N 2.136 123.384 121.223 0.042 0.000 2.013 451 L HA -0.064 4.276 4.340 0.000 0.000 0.212 451 L C -0.924 175.917 176.870 -0.048 0.000 1.073 451 L CA 2.376 57.207 54.840 -0.015 0.000 0.753 451 L CB -1.610 40.508 42.059 0.099 0.000 0.890 451 L HN 0.003 nan 8.230 nan 0.000 0.432 452 P HA -0.190 nan 4.420 nan 0.000 0.214 452 P C 1.839 179.097 177.300 -0.070 0.000 1.169 452 P CA 2.467 65.550 63.100 -0.028 0.000 0.908 452 P CB -0.227 31.462 31.700 -0.018 0.000 0.791 453 S N -1.685 113.962 115.700 -0.089 0.000 2.406 453 S HA -0.155 4.315 4.470 0.000 0.000 0.228 453 S C 1.865 176.385 174.600 -0.134 0.000 1.020 453 S CA 0.697 58.843 58.200 -0.090 0.000 0.965 453 S CB -1.648 61.523 63.200 -0.049 0.000 0.798 453 S HN 0.022 nan 8.310 nan 0.000 0.488 454 F N 3.165 122.833 119.950 -0.468 0.000 2.102 454 F HA -0.001 4.526 4.527 0.000 0.000 0.298 454 F C 1.922 177.553 175.800 -0.280 0.000 1.105 454 F CA 0.799 58.479 58.000 -0.534 0.000 1.239 454 F CB -0.469 37.935 39.000 -0.993 0.000 0.991 454 F HN 0.065 nan 8.300 nan 0.000 0.474 455 I N 0.578 120.965 120.570 -0.305 0.000 2.454 455 I HA -0.248 3.922 4.170 0.000 0.000 0.254 455 I C 1.960 177.922 176.117 -0.259 0.000 1.156 455 I CA 1.210 62.315 61.300 -0.325 0.000 1.433 455 I CB -1.506 36.403 38.000 -0.152 0.000 1.082 455 I HN 0.154 nan 8.210 nan 0.000 0.432 456 D N 1.089 121.377 120.400 -0.186 0.000 2.123 456 D HA -0.170 4.470 4.640 0.000 0.000 0.196 456 D C 1.888 178.091 176.300 -0.161 0.000 0.992 456 D CA 1.066 54.983 54.000 -0.137 0.000 0.833 456 D CB -0.279 40.464 40.800 -0.094 0.000 0.954 456 D HN 0.321 nan 8.370 nan 0.000 0.455 457 N N 0.598 119.176 118.700 -0.204 0.000 2.120 457 N HA -0.096 4.644 4.740 0.000 0.000 0.188 457 N C 1.905 177.265 175.510 -0.249 0.000 1.024 457 N CA 0.466 53.399 53.050 -0.195 0.000 0.852 457 N CB -0.119 38.267 38.487 -0.169 0.000 1.003 457 N HN 0.209 nan 8.380 nan 0.000 0.424 458 I N 1.694 122.022 120.570 -0.404 0.000 2.315 458 I HA -0.186 3.985 4.170 0.000 0.000 0.248 458 I C 1.493 177.483 176.117 -0.211 0.000 1.117 458 I CA 1.180 62.258 61.300 -0.369 0.000 1.404 458 I CB -1.003 36.684 38.000 -0.522 0.000 1.071 458 I HN 0.025 nan 8.210 nan 0.000 0.419 459 D N 1.130 121.417 120.400 -0.187 0.000 2.123 459 D HA -0.168 4.472 4.640 0.000 0.000 0.196 459 D C 1.888 178.130 176.300 -0.095 0.000 0.992 459 D CA 1.068 54.995 54.000 -0.122 0.000 0.833 459 D CB -0.284 40.448 40.800 -0.114 0.000 0.954 459 D HN 0.267 nan 8.370 nan 0.000 0.455 460 N N 0.300 118.939 118.700 -0.102 0.000 2.120 460 N HA -0.078 4.662 4.740 0.000 0.000 0.188 460 N C 2.049 177.510 175.510 -0.083 0.000 1.024 460 N CA 0.439 53.438 53.050 -0.085 0.000 0.852 460 N CB -0.420 38.019 38.487 -0.079 0.000 1.003 460 N HN 0.250 nan 8.380 nan 0.000 0.424 461 L N -0.003 121.177 121.223 -0.072 0.000 2.046 461 L HA -0.087 4.253 4.340 0.000 0.000 0.208 461 L C 2.193 179.089 176.870 0.043 0.000 1.077 461 L CA 0.800 55.630 54.840 -0.016 0.000 0.747 461 L CB -0.340 41.729 42.059 0.015 0.000 0.896 461 L HN 0.155 nan 8.230 nan 0.000 0.432 462 M N -0.366 119.241 119.600 0.012 0.000 2.117 462 M HA -0.148 4.332 4.480 0.000 0.000 0.262 462 M C 2.585 178.895 176.300 0.017 0.000 1.065 462 M CA 1.931 57.260 55.300 0.048 0.000 1.114 462 M CB -1.299 31.308 32.600 0.012 0.000 1.361 462 M HN 0.295 nan 8.290 nan 0.000 0.408 463 A N 0.532 123.332 122.820 -0.033 0.000 1.845 463 A HA -0.219 4.101 4.320 0.000 0.000 0.215 463 A C 2.282 179.816 177.584 -0.083 0.000 1.195 463 A CA 2.173 54.179 52.037 -0.052 0.000 0.616 463 A CB -0.866 18.097 19.000 -0.061 0.000 0.832 463 A HN 0.511 nan 8.150 nan 0.000 0.443 464 K N -1.300 119.013 120.400 -0.145 0.000 2.173 464 K HA -0.254 4.066 4.320 0.000 0.000 0.207 464 K C 1.255 177.636 176.600 -0.364 0.000 1.046 464 K CA 1.868 57.994 56.287 -0.269 0.000 0.929 464 K CB -0.261 32.019 32.500 -0.367 0.000 0.720 464 K HN 0.683 nan 8.250 nan 0.000 0.453 465 H N -1.397 117.659 119.070 -0.022 0.000 2.586 465 H HA 0.147 4.703 4.556 -0.000 0.000 0.273 465 H C 0.796 176.089 175.328 -0.057 0.000 0.997 465 H CA 0.724 56.755 56.048 -0.028 0.000 1.177 465 H CB 0.904 30.664 29.762 -0.004 0.000 1.471 465 H HN 0.492 nan 8.280 nan 0.000 0.538 466 G N 1.511 110.318 108.800 0.012 0.000 2.225 466 G HA2 -0.268 3.692 3.960 0.000 0.000 0.264 466 G HA3 -0.268 3.692 3.960 0.000 0.000 0.264 466 G C 0.669 175.542 174.900 -0.046 0.000 1.060 466 G CA 0.619 45.704 45.100 -0.025 0.000 0.833 466 G HN 0.456 nan 8.290 nan 0.000 0.498 467 V N -2.987 116.915 119.914 -0.020 0.000 3.017 467 V HA 0.476 4.596 4.120 0.000 0.000 0.354 467 V C 1.644 177.747 176.094 0.014 0.000 1.389 467 V CA 0.977 63.254 62.300 -0.039 0.000 1.163 467 V CB -0.048 31.737 31.823 -0.063 0.000 1.178 467 V HN 0.681 nan 8.190 nan 0.000 0.547 468 S N 0.078 115.777 115.700 -0.001 0.000 2.469 468 S HA -0.136 4.334 4.470 0.000 0.000 0.238 468 S C 1.129 175.732 174.600 0.005 0.000 0.998 468 S CA 1.494 59.692 58.200 -0.002 0.000 0.957 468 S CB -0.325 62.862 63.200 -0.022 0.000 0.764 468 S HN 0.682 nan 8.310 nan 0.000 0.514 469 D N 0.740 121.145 120.400 0.009 0.000 2.339 469 D HA 0.179 4.819 4.640 0.000 0.000 0.217 469 D C 0.646 176.987 176.300 0.067 0.000 1.050 469 D CA 0.300 54.313 54.000 0.022 0.000 0.856 469 D CB 0.188 40.992 40.800 0.006 0.000 0.922 469 D HN 0.384 nan 8.370 nan 0.000 0.518 470 E N 0.864 121.113 120.200 0.083 0.000 2.292 470 E HA 0.221 4.571 4.350 0.000 0.000 0.258 470 E C 0.381 177.104 176.600 0.205 0.000 1.115 470 E CA -0.271 56.219 56.400 0.149 0.000 0.929 470 E CB 1.319 31.129 29.700 0.183 0.000 1.161 470 E HN 0.323 nan 8.360 nan 0.000 0.453 471 H N -1.631 117.534 119.070 0.158 0.000 3.037 471 H HA 0.535 5.091 4.556 -0.000 0.000 0.355 471 H C -1.114 174.211 175.328 -0.005 0.000 1.263 471 H CA -0.770 55.305 56.048 0.045 0.000 1.129 471 H CB 0.655 30.422 29.762 0.009 0.000 1.861 471 H HN 0.285 nan 8.280 nan 0.000 0.546 472 I N 2.155 122.692 120.570 -0.056 0.000 2.466 472 I HA 0.143 4.313 4.170 0.000 0.000 0.289 472 I C -0.018 176.096 176.117 -0.005 0.000 1.026 472 I CA -1.275 59.913 61.300 -0.186 0.000 1.078 472 I CB 2.493 40.229 38.000 -0.441 0.000 1.249 472 I HN 0.306 nan 8.210 nan 0.000 0.429 473 V N 6.980 126.926 119.914 0.053 0.000 2.400 473 V HA 0.058 4.178 4.120 0.000 0.000 0.263 473 V C 0.232 176.343 176.094 0.029 0.000 1.026 473 V CA 0.508 62.853 62.300 0.075 0.000 1.077 473 V CB 0.089 31.959 31.823 0.079 0.000 1.054 473 V HN 0.649 nan 8.190 nan 0.000 0.477 474 M N 6.986 126.604 119.600 0.030 0.000 2.181 474 M HA 0.561 5.041 4.480 0.000 0.000 0.323 474 M C -0.477 175.868 176.300 0.076 0.000 1.004 474 M CA -0.325 55.002 55.300 0.045 0.000 0.941 474 M CB 1.064 33.683 32.600 0.030 0.000 1.579 474 M HN 0.552 nan 8.290 nan 0.000 0.427 475 R N 2.953 123.497 120.500 0.074 0.000 2.744 475 R HA 0.784 5.124 4.340 0.000 0.000 0.279 475 R C -1.596 174.740 176.300 0.061 0.000 0.977 475 R CA -1.000 55.139 56.100 0.066 0.000 0.906 475 R CB 2.642 32.965 30.300 0.038 0.000 1.197 475 R HN 0.452 nan 8.270 nan 0.000 0.463 476 V N 1.309 121.260 119.914 0.062 0.000 2.444 476 V HA 0.362 4.482 4.120 0.000 0.000 0.294 476 V C -0.321 175.812 176.094 0.064 0.000 1.022 476 V CA -0.583 61.744 62.300 0.046 0.000 0.850 476 V CB 1.911 33.764 31.823 0.050 0.000 0.992 476 V HN 0.754 nan 8.190 nan 0.000 0.426 477 T N 3.184 117.779 114.554 0.068 0.000 2.779 477 T HA 0.484 4.834 4.350 0.000 0.000 0.280 477 T C 1.216 175.958 174.700 0.071 0.000 0.987 477 T CA 0.358 62.484 62.100 0.045 0.000 0.966 477 T CB 1.456 70.327 68.868 0.005 0.000 0.933 477 T HN 0.872 nan 8.240 nan 0.000 0.442 478 G N 2.568 111.381 108.800 0.020 0.000 2.498 478 G HA2 0.092 4.052 3.960 0.000 0.000 0.219 478 G HA3 0.092 4.052 3.960 0.000 0.000 0.219 478 G C 0.796 175.657 174.900 -0.066 0.000 1.119 478 G CA 0.842 45.923 45.100 -0.032 0.000 0.766 478 G HN 1.085 nan 8.290 nan 0.000 0.552 479 C N -3.868 115.407 119.300 -0.041 0.000 3.321 479 C HA 0.671 5.131 4.460 0.000 0.000 0.329 479 C C -2.028 172.927 174.990 -0.059 0.000 1.394 479 C CA -1.092 57.904 59.018 -0.035 0.000 1.291 479 C CB 1.665 29.360 27.740 -0.074 0.000 1.606 479 C HN -0.005 nan 8.230 nan 0.000 0.463 480 P HA -0.007 nan 4.420 nan 0.000 0.242 480 P C 0.852 178.083 177.300 -0.116 0.000 1.197 480 P CA 1.049 64.029 63.100 -0.200 0.000 0.765 480 P CB -0.120 31.283 31.700 -0.495 0.000 0.936 481 N N 0.910 119.557 118.700 -0.088 0.000 2.334 481 N HA -0.125 4.615 4.740 0.000 0.000 0.187 481 N C 1.641 177.119 175.510 -0.053 0.000 1.016 481 N CA 1.837 54.852 53.050 -0.059 0.000 0.879 481 N CB -0.836 37.620 38.487 -0.051 0.000 0.965 481 N HN 0.288 nan 8.380 nan 0.000 0.438 482 G N -0.570 108.194 108.800 -0.058 0.000 2.137 482 G HA2 -0.316 3.644 3.960 0.000 0.000 0.237 482 G HA3 -0.316 3.644 3.960 0.000 0.000 0.237 482 G C 1.162 176.035 174.900 -0.044 0.000 1.002 482 G CA 0.370 45.437 45.100 -0.055 0.000 0.702 482 G HN 0.418 nan 8.290 nan 0.000 0.515 483 C N -0.044 119.233 119.300 -0.039 0.000 2.411 483 C HA 0.173 4.633 4.460 0.000 0.000 0.279 483 C C 2.979 177.956 174.990 -0.022 0.000 1.288 483 C CA 1.510 60.509 59.018 -0.032 0.000 1.764 483 C CB -1.086 26.635 27.740 -0.032 0.000 1.974 483 C HN 0.938 nan 8.230 nan 0.000 0.498 484 G N -0.550 108.241 108.800 -0.015 0.000 2.848 484 G HA2 0.034 3.994 3.960 0.000 0.000 0.208 484 G HA3 0.034 3.994 3.960 0.000 0.000 0.208 484 G C 0.804 175.700 174.900 -0.006 0.000 1.152 484 G CA -0.192 44.907 45.100 -0.000 0.000 0.789 484 G HN 0.691 nan 8.290 nan 0.000 0.531 485 R N -1.398 119.089 120.500 -0.022 0.000 3.525 485 R HA -0.241 4.099 4.340 0.000 0.000 0.276 485 R C 1.615 177.898 176.300 -0.029 0.000 1.116 485 R CA 0.328 56.410 56.100 -0.030 0.000 0.745 485 R CB -2.008 28.277 30.300 -0.024 0.000 1.185 485 R HN 0.431 nan 8.270 nan 0.000 0.454 486 A N 0.173 122.970 122.820 -0.038 0.000 2.066 486 A HA -0.027 4.293 4.320 0.000 0.000 0.218 486 A C 1.792 179.323 177.584 -0.089 0.000 1.157 486 A CA 0.730 52.741 52.037 -0.043 0.000 0.670 486 A CB -0.005 18.972 19.000 -0.039 0.000 0.804 486 A HN 0.220 nan 8.150 nan 0.000 0.453 487 M N -0.564 118.967 119.600 -0.116 0.000 2.691 487 M HA 0.261 4.741 4.480 0.000 0.000 0.227 487 M C 0.537 176.790 176.300 -0.078 0.000 1.120 487 M CA 0.777 55.993 55.300 -0.141 0.000 1.034 487 M CB -0.714 31.794 32.600 -0.153 0.000 1.675 487 M HN 0.358 nan 8.290 nan 0.000 0.514 488 L N -1.193 120.001 121.223 -0.047 0.000 3.298 488 L HA 0.391 4.731 4.340 0.000 0.000 0.296 488 L C 0.580 177.445 176.870 -0.008 0.000 1.237 488 L CA -0.337 54.489 54.840 -0.024 0.000 1.038 488 L CB 0.414 42.469 42.059 -0.007 0.000 1.423 488 L HN 0.066 nan 8.230 nan 0.000 0.605 489 A N -0.166 122.651 122.820 -0.005 0.000 2.256 489 A HA 0.409 4.729 4.320 0.000 0.000 0.318 489 A C 0.906 178.506 177.584 0.028 0.000 1.103 489 A CA -0.288 51.758 52.037 0.017 0.000 0.860 489 A CB 0.870 19.884 19.000 0.023 0.000 1.182 489 A HN 0.273 nan 8.150 nan 0.000 0.501 490 E N -0.666 119.558 120.200 0.040 0.000 2.072 490 E HA 0.026 4.376 4.350 0.000 0.000 0.190 490 E C -0.452 176.211 176.600 0.105 0.000 0.982 490 E CA 0.992 57.431 56.400 0.064 0.000 0.803 490 E CB 0.109 29.854 29.700 0.074 0.000 0.755 490 E HN 0.332 nan 8.360 nan 0.000 0.453 491 V N 0.693 120.655 119.914 0.080 0.000 2.483 491 V HA 0.524 4.644 4.120 0.000 0.000 0.297 491 V C -0.100 176.048 176.094 0.090 0.000 1.027 491 V CA -0.749 61.608 62.300 0.095 0.000 0.855 491 V CB 1.641 33.482 31.823 0.029 0.000 0.995 491 V HN 0.161 nan 8.190 nan 0.000 0.424 492 G N 4.401 113.273 108.800 0.120 0.000 2.590 492 G HA2 0.695 4.655 3.960 0.000 0.000 0.310 492 G HA3 0.695 4.655 3.960 0.000 0.000 0.310 492 G C -1.625 173.359 174.900 0.140 0.000 1.347 492 G CA -0.562 44.592 45.100 0.089 0.000 0.963 492 G HN 0.460 nan 8.290 nan 0.000 0.494 493 L N 2.067 123.342 121.223 0.086 0.000 2.280 493 L HA 0.457 4.797 4.340 0.000 0.000 0.287 493 L C -0.085 176.888 176.870 0.172 0.000 1.023 493 L CA -0.669 54.228 54.840 0.095 0.000 0.819 493 L CB 1.996 43.949 42.059 -0.178 0.000 1.212 493 L HN 0.264 nan 8.230 nan 0.000 0.420 494 V N 2.879 122.957 119.914 0.274 0.000 2.313 494 V HA 0.491 4.611 4.120 0.000 0.000 0.278 494 V C 0.910 177.178 176.094 0.290 0.000 1.017 494 V CA -0.950 61.499 62.300 0.248 0.000 0.823 494 V CB 1.118 33.069 31.823 0.214 0.000 1.010 494 V HN 0.856 nan 8.190 nan 0.000 0.443 495 G N 3.214 112.146 108.800 0.221 0.000 2.178 495 G HA2 0.099 4.059 3.960 0.000 0.000 0.244 495 G HA3 0.099 4.059 3.960 0.000 0.000 0.244 495 G C 0.500 175.433 174.900 0.054 0.000 1.213 495 G CA 0.150 45.225 45.100 -0.042 0.000 0.912 495 G HN 0.836 nan 8.290 nan 0.000 0.474 496 K N 0.995 121.314 120.400 -0.134 0.000 2.436 496 K HA 0.559 4.880 4.320 0.000 0.000 0.198 496 K C 0.728 177.254 176.600 -0.122 0.000 1.174 496 K CA 0.717 56.916 56.287 -0.148 0.000 0.951 496 K CB 0.488 32.797 32.500 -0.318 0.000 1.040 496 K HN 0.794 nan 8.250 nan 0.000 0.536 497 A N 0.549 123.264 122.820 -0.174 0.000 2.515 497 A HA 0.435 4.755 4.320 0.000 0.000 0.292 497 A C -2.920 174.560 177.584 -0.173 0.000 1.065 497 A CA -1.123 50.843 52.037 -0.118 0.000 0.641 497 A CB 0.523 19.464 19.000 -0.099 0.000 1.306 497 A HN -0.101 nan 8.150 nan 0.000 0.441 498 P HA 0.278 nan 4.420 nan 0.000 0.258 498 P C 1.013 178.213 177.300 -0.166 0.000 1.187 498 P CA 2.526 65.561 63.100 -0.107 0.000 0.767 498 P CB 0.276 31.928 31.700 -0.080 0.000 0.770 499 G N 2.942 111.599 108.800 -0.238 0.000 2.175 499 G HA2 -0.288 3.672 3.960 0.000 0.000 0.265 499 G HA3 -0.288 3.672 3.960 0.000 0.000 0.265 499 G C 0.014 174.773 174.900 -0.235 0.000 0.979 499 G CA -0.220 44.764 45.100 -0.192 0.000 0.663 499 G HN 0.590 nan 8.290 nan 0.000 0.533 500 R N -0.879 119.354 120.500 -0.444 0.000 2.561 500 R HA 0.674 5.014 4.340 0.000 0.000 0.297 500 R C -1.168 174.816 176.300 -0.528 0.000 0.969 500 R CA -0.719 55.203 56.100 -0.298 0.000 0.879 500 R CB 1.489 31.689 30.300 -0.168 0.000 1.178 500 R HN 0.212 nan 8.270 nan 0.000 0.445 501 Y N 0.059 120.307 120.300 -0.088 0.000 2.605 501 Y HA 0.365 4.915 4.550 0.001 0.000 0.343 501 Y C 0.063 175.958 175.900 -0.009 0.000 1.036 501 Y CA -1.277 56.789 58.100 -0.057 0.000 1.065 501 Y CB 1.671 40.074 38.460 -0.096 0.000 1.288 501 Y HN 0.385 nan 8.280 nan 0.000 0.481 502 N N 1.325 120.159 118.700 0.224 0.000 2.430 502 N HA 0.364 5.104 4.740 0.000 0.000 0.292 502 N C -1.656 173.994 175.510 0.233 0.000 1.051 502 N CA -0.535 52.616 53.050 0.168 0.000 0.917 502 N CB 1.831 40.452 38.487 0.224 0.000 1.164 502 N HN 0.499 nan 8.380 nan 0.000 0.484 503 L N 3.733 125.033 121.223 0.128 0.000 2.265 503 L HA 0.327 4.667 4.340 0.000 0.000 0.289 503 L C -0.547 176.382 176.870 0.099 0.000 1.033 503 L CA -0.334 54.615 54.840 0.182 0.000 0.814 503 L CB 0.165 42.360 42.059 0.227 0.000 1.203 503 L HN 0.487 nan 8.230 nan 0.000 0.423 504 H N 6.226 125.369 119.070 0.121 0.000 2.472 504 H HA 0.623 5.179 4.556 -0.000 0.000 0.338 504 H C -0.976 174.391 175.328 0.065 0.000 1.133 504 H CA -0.689 55.408 56.048 0.083 0.000 1.216 504 H CB 1.995 31.776 29.762 0.031 0.000 1.497 504 H HN 0.513 nan 8.280 nan 0.000 0.500 505 L N 0.029 121.325 121.223 0.121 0.000 2.424 505 L HA 0.451 4.791 4.340 0.000 0.000 0.258 505 L C 0.763 177.626 176.870 -0.012 0.000 0.995 505 L CA -0.503 54.356 54.840 0.032 0.000 0.821 505 L CB 2.471 44.454 42.059 -0.128 0.000 1.383 505 L HN 0.953 nan 8.230 nan 0.000 0.410 506 G N 0.573 109.346 108.800 -0.045 0.000 2.296 506 G HA2 -0.131 3.829 3.960 0.000 0.000 0.188 506 G HA3 -0.131 3.829 3.960 0.000 0.000 0.188 506 G C 0.398 175.268 174.900 -0.049 0.000 1.000 506 G CA -0.258 44.800 45.100 -0.071 0.000 0.672 506 G HN 1.006 nan 8.290 nan 0.000 0.483 507 G N 0.470 109.258 108.800 -0.019 0.000 2.525 507 G HA2 0.524 4.484 3.960 0.000 0.000 0.276 507 G HA3 0.524 4.484 3.960 0.000 0.000 0.276 507 G C 0.155 175.045 174.900 -0.017 0.000 1.388 507 G CA 0.629 45.718 45.100 -0.019 0.000 1.050 507 G HN 1.216 nan 8.290 nan 0.000 0.520 508 N N -2.966 115.732 118.700 -0.004 0.000 2.831 508 N HA 0.286 5.026 4.740 0.000 0.000 0.276 508 N C 0.738 176.269 175.510 0.034 0.000 1.416 508 N CA -1.027 52.029 53.050 0.010 0.000 0.799 508 N CB 1.190 39.683 38.487 0.010 0.000 1.554 508 N HN 0.357 nan 8.380 nan 0.000 0.541 509 R N -0.502 120.030 120.500 0.054 0.000 2.092 509 R HA 0.083 4.423 4.340 0.000 0.000 0.231 509 R C 1.480 177.836 176.300 0.092 0.000 1.119 509 R CA 1.766 57.918 56.100 0.087 0.000 0.970 509 R CB -0.685 29.682 30.300 0.111 0.000 0.864 509 R HN 0.755 nan 8.270 nan 0.000 0.440 510 I N -3.085 117.539 120.570 0.089 0.000 3.419 510 I HA 0.287 4.457 4.170 0.000 0.000 0.286 510 I C 0.725 176.871 176.117 0.047 0.000 1.268 510 I CA 0.556 61.909 61.300 0.089 0.000 1.414 510 I CB 0.104 38.205 38.000 0.168 0.000 1.074 510 I HN 0.154 nan 8.210 nan 0.000 0.457 511 G N 2.706 111.532 108.800 0.043 0.000 2.289 511 G HA2 -0.252 3.708 3.960 0.000 0.000 0.280 511 G HA3 -0.252 3.708 3.960 0.000 0.000 0.280 511 G C 0.446 175.371 174.900 0.041 0.000 1.089 511 G CA 0.489 45.609 45.100 0.033 0.000 0.939 511 G HN 0.659 nan 8.290 nan 0.000 0.499 512 T N -3.417 111.114 114.554 -0.038 0.000 3.129 512 T HA 0.542 4.892 4.350 0.000 0.000 0.267 512 T C 0.578 175.129 174.700 -0.249 0.000 1.018 512 T CA 0.232 62.184 62.100 -0.246 0.000 0.903 512 T CB 0.752 69.570 68.868 -0.084 0.000 1.067 512 T HN 0.620 nan 8.240 nan 0.000 0.549 513 R N 0.454 120.870 120.500 -0.140 0.000 2.604 513 R HA 0.651 4.991 4.340 0.000 0.000 0.281 513 R C -1.523 174.728 176.300 -0.081 0.000 1.020 513 R CA -0.887 55.148 56.100 -0.110 0.000 0.899 513 R CB 1.565 31.820 30.300 -0.075 0.000 1.205 513 R HN 0.246 nan 8.270 nan 0.000 0.450 514 I N 5.448 125.970 120.570 -0.079 0.000 2.371 514 I HA 0.279 4.449 4.170 0.000 0.000 0.290 514 I C -1.821 174.271 176.117 -0.041 0.000 1.028 514 I CA -2.007 59.254 61.300 -0.064 0.000 1.345 514 I CB 1.458 39.415 38.000 -0.071 0.000 1.407 514 I HN 0.358 nan 8.210 nan 0.000 0.501 515 P HA 0.127 nan 4.420 nan 0.000 0.282 515 P C -0.650 176.725 177.300 0.125 0.000 1.274 515 P CA -0.438 62.688 63.100 0.042 0.000 0.770 515 P CB 0.828 32.572 31.700 0.072 0.000 0.867 516 R N 3.811 124.349 120.500 0.064 0.000 2.679 516 R HA 0.269 4.609 4.340 0.000 0.000 0.269 516 R C 0.465 176.764 176.300 -0.001 0.000 1.076 516 R CA -0.542 55.580 56.100 0.036 0.000 1.160 516 R CB 0.308 30.602 30.300 -0.012 0.000 1.054 516 R HN 0.472 nan 8.270 nan 0.000 0.507 517 M N 4.107 123.584 119.600 -0.206 0.000 2.217 517 M HA -0.014 4.466 4.480 0.000 0.000 0.352 517 M C -0.371 175.840 176.300 -0.149 0.000 1.376 517 M CA 0.186 55.158 55.300 -0.546 0.000 1.107 517 M CB 0.672 32.959 32.600 -0.522 0.000 1.723 517 M HN 0.798 nan 8.290 nan 0.000 0.461 518 Y N 5.931 126.095 120.300 -0.227 0.000 2.353 518 Y HA 0.354 4.905 4.550 0.000 0.000 0.294 518 Y C -0.251 175.607 175.900 -0.069 0.000 1.135 518 Y CA 0.992 59.033 58.100 -0.098 0.000 1.176 518 Y CB 0.647 39.082 38.460 -0.041 0.000 1.124 518 Y HN 0.524 nan 8.280 nan 0.000 0.537 519 K N 0.769 121.087 120.400 -0.138 0.000 2.477 519 K HA 0.279 4.599 4.320 0.000 0.000 0.255 519 K C -1.445 175.107 176.600 -0.080 0.000 0.952 519 K CA -0.861 55.313 56.287 -0.189 0.000 0.826 519 K CB 2.805 35.205 32.500 -0.167 0.000 1.331 519 K HN 0.041 nan 8.250 nan 0.000 0.437 520 E N 1.192 121.352 120.200 -0.067 0.000 2.256 520 E HA 0.149 4.499 4.350 0.000 0.000 0.267 520 E C -0.715 175.869 176.600 -0.027 0.000 0.892 520 E CA -0.498 55.879 56.400 -0.038 0.000 0.775 520 E CB 0.978 30.657 29.700 -0.036 0.000 1.207 520 E HN 0.567 nan 8.360 nan 0.000 0.420 521 N N 2.064 120.745 118.700 -0.031 0.000 2.707 521 N HA -0.199 4.541 4.740 0.000 0.000 0.253 521 N C -0.800 174.700 175.510 -0.017 0.000 0.998 521 N CA 1.265 54.286 53.050 -0.048 0.000 0.751 521 N CB -1.364 37.082 38.487 -0.069 0.000 0.920 521 N HN 0.512 nan 8.380 nan 0.000 0.539 522 I N -3.480 117.106 120.570 0.026 0.000 2.676 522 I HA 0.622 4.792 4.170 0.000 0.000 0.309 522 I C 0.980 177.153 176.117 0.093 0.000 0.990 522 I CA -0.775 60.555 61.300 0.051 0.000 1.168 522 I CB 1.802 39.838 38.000 0.060 0.000 1.343 522 I HN 0.111 nan 8.210 nan 0.000 0.482 523 T N -0.922 113.687 114.554 0.091 0.000 2.881 523 T HA 0.232 4.582 4.350 0.000 0.000 0.278 523 T C 0.832 175.631 174.700 0.165 0.000 0.982 523 T CA -0.359 61.813 62.100 0.120 0.000 0.989 523 T CB 1.841 70.760 68.868 0.084 0.000 1.058 523 T HN 0.869 nan 8.240 nan 0.000 0.529 524 E N 0.996 121.317 120.200 0.202 0.000 2.049 524 E HA -0.141 4.209 4.350 0.000 0.000 0.198 524 E C -0.583 176.154 176.600 0.228 0.000 1.007 524 E CA 1.426 57.981 56.400 0.258 0.000 0.809 524 E CB -0.976 28.956 29.700 0.387 0.000 0.749 524 E HN 0.569 nan 8.360 nan 0.000 0.450 525 P HA -0.153 nan 4.420 nan 0.000 0.219 525 P C 0.517 177.894 177.300 0.129 0.000 1.146 525 P CA 1.437 64.621 63.100 0.140 0.000 0.808 525 P CB -0.062 31.702 31.700 0.108 0.000 0.779 526 E N -0.512 119.763 120.200 0.126 0.000 2.170 526 E HA -0.002 4.348 4.350 0.000 0.000 0.191 526 E C 2.223 178.909 176.600 0.143 0.000 0.981 526 E CA 0.429 56.897 56.400 0.113 0.000 0.830 526 E CB -0.391 29.363 29.700 0.089 0.000 0.775 526 E HN 0.242 nan 8.360 nan 0.000 0.470 527 I N 0.773 121.447 120.570 0.173 0.000 2.202 527 I HA -0.235 3.935 4.170 0.000 0.000 0.242 527 I C 1.981 178.234 176.117 0.227 0.000 1.091 527 I CA 0.616 62.041 61.300 0.207 0.000 1.368 527 I CB -0.052 38.074 38.000 0.210 0.000 1.058 527 I HN 0.134 nan 8.210 nan 0.000 0.410 528 L N 0.744 122.105 121.223 0.230 0.000 2.046 528 L HA -0.147 4.193 4.340 0.000 0.000 0.208 528 L C 2.732 179.680 176.870 0.131 0.000 1.077 528 L CA 2.067 57.009 54.840 0.170 0.000 0.747 528 L CB -1.604 40.542 42.059 0.146 0.000 0.896 528 L HN 0.210 nan 8.230 nan 0.000 0.432 529 A N -1.225 121.673 122.820 0.131 0.000 1.933 529 A HA -0.192 4.128 4.320 0.000 0.000 0.218 529 A C 2.478 180.144 177.584 0.138 0.000 1.175 529 A CA 1.988 54.096 52.037 0.119 0.000 0.628 529 A CB -0.609 18.453 19.000 0.104 0.000 0.814 529 A HN 0.482 nan 8.150 nan 0.000 0.444 530 S N 0.198 115.998 115.700 0.166 0.000 2.355 530 S HA -0.078 4.392 4.470 0.000 0.000 0.222 530 S C 1.808 176.520 174.600 0.187 0.000 1.031 530 S CA 1.478 59.807 58.200 0.216 0.000 0.993 530 S CB -0.516 62.869 63.200 0.308 0.000 0.859 530 S HN 0.509 nan 8.310 nan 0.000 0.453 531 L N 1.546 122.858 121.223 0.149 0.000 2.141 531 L HA -0.109 4.231 4.340 0.000 0.000 0.209 531 L C 2.518 179.435 176.870 0.077 0.000 1.094 531 L CA 1.094 55.982 54.840 0.081 0.000 0.763 531 L CB -0.646 41.419 42.059 0.009 0.000 0.908 531 L HN 0.273 nan 8.230 nan 0.000 0.437 532 D N 0.605 121.070 120.400 0.109 0.000 2.092 532 D HA -0.272 4.368 4.640 0.000 0.000 0.193 532 D C 2.015 178.404 176.300 0.148 0.000 0.994 532 D CA 1.667 55.765 54.000 0.164 0.000 0.828 532 D CB 0.138 41.031 40.800 0.155 0.000 0.963 532 D HN 0.361 nan 8.370 nan 0.000 0.450 533 E N -0.164 120.113 120.200 0.129 0.000 2.051 533 E HA -0.150 4.200 4.350 0.000 0.000 0.192 533 E C 2.626 179.283 176.600 0.096 0.000 0.991 533 E CA 0.649 57.112 56.400 0.107 0.000 0.799 533 E CB -0.167 29.609 29.700 0.127 0.000 0.748 533 E HN 0.302 nan 8.360 nan 0.000 0.449 534 L N 0.688 122.003 121.223 0.155 0.000 2.046 534 L HA -0.187 4.153 4.340 0.000 0.000 0.208 534 L C 2.602 179.678 176.870 0.343 0.000 1.077 534 L CA 0.936 55.928 54.840 0.254 0.000 0.747 534 L CB -0.336 41.921 42.059 0.329 0.000 0.896 534 L HN 0.283 nan 8.230 nan 0.000 0.432 535 I N -0.377 120.304 120.570 0.185 0.000 2.353 535 I HA -0.164 4.006 4.170 0.000 0.000 0.248 535 I C 2.635 178.652 176.117 -0.166 0.000 1.119 535 I CA 1.157 62.538 61.300 0.136 0.000 1.417 535 I CB -0.797 37.223 38.000 0.032 0.000 1.078 535 I HN 0.265 nan 8.210 nan 0.000 0.421 536 G N 1.033 109.491 108.800 -0.570 0.000 2.476 536 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 536 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 536 G C 1.818 176.564 174.900 -0.258 0.000 1.164 536 G CA 0.577 45.166 45.100 -0.852 0.000 0.768 536 G HN 0.306 nan 8.290 nan 0.000 0.560 537 R N -1.261 119.206 120.500 -0.055 0.000 2.075 537 R HA -0.076 4.264 4.340 0.000 0.000 0.232 537 R C 2.287 178.482 176.300 -0.174 0.000 1.126 537 R CA 1.238 57.359 56.100 0.035 0.000 0.963 537 R CB -0.445 30.002 30.300 0.246 0.000 0.858 537 R HN 0.542 nan 8.270 nan 0.000 0.435 538 W N 1.769 122.771 121.300 -0.496 0.000 2.335 538 W HA -0.174 4.486 4.660 0.000 0.000 0.311 538 W C 2.177 178.350 176.519 -0.577 0.000 1.213 538 W CA 1.622 58.359 57.345 -1.014 0.000 1.274 538 W CB -0.537 28.690 29.460 -0.388 0.000 1.148 538 W HN 0.085 nan 8.180 nan 0.000 0.498 539 A N 0.317 122.905 122.820 -0.387 0.000 1.986 539 A HA -0.235 4.085 4.320 0.000 0.000 0.220 539 A C 1.951 179.317 177.584 -0.362 0.000 1.171 539 A CA 2.270 54.031 52.037 -0.461 0.000 0.640 539 A CB -0.574 18.299 19.000 -0.210 0.000 0.811 539 A HN 0.467 nan 8.150 nan 0.000 0.451 540 K N -1.478 118.762 120.400 -0.266 0.000 2.348 540 K HA 0.107 4.427 4.320 0.000 0.000 0.194 540 K C 1.197 177.709 176.600 -0.146 0.000 1.052 540 K CA 0.766 56.953 56.287 -0.167 0.000 1.004 540 K CB 0.337 32.789 32.500 -0.079 0.000 0.873 540 K HN 0.534 nan 8.250 nan 0.000 0.523 541 E N 0.985 121.068 120.200 -0.196 0.000 2.489 541 E HA 0.015 4.366 4.350 0.000 0.000 0.204 541 E C -0.120 176.454 176.600 -0.044 0.000 1.006 541 E CA -0.251 56.130 56.400 -0.031 0.000 0.936 541 E CB 0.546 30.402 29.700 0.261 0.000 1.002 541 E HN 0.192 nan 8.360 nan 0.000 0.488 542 R N 1.677 121.961 120.500 -0.361 0.000 2.643 542 R HA 0.165 4.505 4.340 0.000 0.000 0.270 542 R C -0.027 176.219 176.300 -0.089 0.000 1.061 542 R CA -0.009 55.956 56.100 -0.225 0.000 1.107 542 R CB 0.729 30.715 30.300 -0.523 0.000 0.999 542 R HN -0.127 nan 8.270 nan 0.000 0.460 543 E N 1.015 121.231 120.200 0.026 0.000 2.385 543 E HA 0.220 4.570 4.350 0.000 0.000 0.254 543 E C -0.222 176.363 176.600 -0.025 0.000 1.228 543 E CA -0.577 55.830 56.400 0.011 0.000 0.956 543 E CB 0.627 30.356 29.700 0.049 0.000 1.116 543 E HN 0.746 nan 8.360 nan 0.000 0.507 544 A N 0.542 123.349 122.820 -0.021 0.000 2.515 544 A HA 0.335 4.655 4.320 0.000 0.000 0.263 544 A C 1.053 178.633 177.584 -0.006 0.000 1.096 544 A CA 0.751 52.770 52.037 -0.029 0.000 0.769 544 A CB -1.077 17.911 19.000 -0.020 0.000 1.040 544 A HN 0.768 nan 8.150 nan 0.000 0.505 545 G N 1.762 110.553 108.800 -0.015 0.000 2.179 545 G HA2 -0.260 3.700 3.960 0.000 0.000 0.257 545 G HA3 -0.260 3.700 3.960 0.000 0.000 0.257 545 G C 0.099 175.047 174.900 0.079 0.000 1.010 545 G CA 0.618 45.733 45.100 0.024 0.000 0.736 545 G HN 1.076 nan 8.290 nan 0.000 0.513 546 E N 0.469 120.732 120.200 0.105 0.000 2.229 546 E HA 0.514 4.864 4.350 0.000 0.000 0.283 546 E C 1.214 178.057 176.600 0.404 0.000 1.030 546 E CA -0.024 56.497 56.400 0.202 0.000 0.836 546 E CB 0.298 30.122 29.700 0.208 0.000 1.068 546 E HN 0.375 nan 8.360 nan 0.000 0.401 547 G N 3.000 111.979 108.800 0.298 0.000 2.572 547 G HA2 -0.039 3.921 3.960 0.000 0.000 0.261 547 G HA3 -0.039 3.921 3.960 0.000 0.000 0.261 547 G C 0.252 175.204 174.900 0.088 0.000 1.197 547 G CA -0.500 44.749 45.100 0.249 0.000 0.870 547 G HN 0.735 nan 8.290 nan 0.000 0.548 548 F N 1.408 120.960 119.950 -0.662 0.000 2.102 548 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 548 F C 2.457 178.043 175.800 -0.357 0.000 1.105 548 F CA 2.415 59.781 58.000 -1.056 0.000 1.239 548 F CB -0.382 37.848 39.000 -1.283 0.000 0.991 548 F HN 0.456 nan 8.300 nan 0.000 0.474 549 G N -0.008 108.690 108.800 -0.169 0.000 2.514 549 G HA2 -0.316 3.644 3.960 0.000 0.000 0.217 549 G HA3 -0.316 3.644 3.960 0.000 0.000 0.217 549 G C 1.402 176.198 174.900 -0.174 0.000 1.198 549 G CA 1.167 46.174 45.100 -0.154 0.000 0.780 549 G HN 0.339 nan 8.290 nan 0.000 0.565 550 D N -0.150 120.203 120.400 -0.079 0.000 2.149 550 D HA -0.105 4.535 4.640 0.000 0.000 0.198 550 D C 1.971 178.238 176.300 -0.056 0.000 0.990 550 D CA 0.549 54.522 54.000 -0.044 0.000 0.839 550 D CB -0.314 40.501 40.800 0.025 0.000 0.948 550 D HN 0.280 nan 8.370 nan 0.000 0.460 551 F N 1.956 121.802 119.950 -0.173 0.000 2.051 551 F HA -0.252 4.275 4.527 -0.000 0.000 0.296 551 F C 2.578 178.224 175.800 -0.256 0.000 1.122 551 F CA 2.328 60.238 58.000 -0.150 0.000 1.201 551 F CB -0.929 38.034 39.000 -0.062 0.000 0.978 551 F HN 0.005 nan 8.300 nan 0.000 0.472 552 T N -1.832 112.417 114.554 -0.509 0.000 2.737 552 T HA -0.198 4.152 4.350 0.000 0.000 0.269 552 T C 2.018 176.483 174.700 -0.391 0.000 1.040 552 T CA 1.746 63.522 62.100 -0.539 0.000 1.142 552 T CB -1.394 67.145 68.868 -0.548 0.000 0.861 552 T HN 0.166 nan 8.240 nan 0.000 0.456 553 V N 1.516 121.254 119.914 -0.294 0.000 2.323 553 V HA -0.021 4.099 4.120 0.000 0.000 0.244 553 V C 2.983 178.953 176.094 -0.206 0.000 1.041 553 V CA 1.898 64.077 62.300 -0.202 0.000 1.025 553 V CB -0.706 31.034 31.823 -0.139 0.000 0.656 553 V HN 0.463 nan 8.190 nan 0.000 0.451 554 R N 0.585 120.949 120.500 -0.227 0.000 2.092 554 R HA -0.072 4.268 4.340 0.000 0.000 0.231 554 R C 1.853 177.989 176.300 -0.272 0.000 1.119 554 R CA 1.521 57.501 56.100 -0.200 0.000 0.970 554 R CB -0.338 29.877 30.300 -0.143 0.000 0.864 554 R HN 0.470 nan 8.270 nan 0.000 0.440 555 A N 0.002 122.532 122.820 -0.483 0.000 2.291 555 A HA 0.213 4.533 4.320 0.000 0.000 0.220 555 A C 1.161 178.560 177.584 -0.308 0.000 1.262 555 A CA 0.595 52.333 52.037 -0.498 0.000 0.867 555 A CB -0.494 17.908 19.000 -0.997 0.000 0.888 555 A HN 0.597 nan 8.150 nan 0.000 0.487 556 G N -0.447 108.214 108.800 -0.231 0.000 2.187 556 G HA2 -0.327 3.633 3.960 0.000 0.000 0.261 556 G HA3 -0.327 3.633 3.960 0.000 0.000 0.261 556 G C 0.792 175.618 174.900 -0.123 0.000 1.000 556 G CA 0.775 45.788 45.100 -0.145 0.000 0.718 556 G HN 0.538 nan 8.290 nan 0.000 0.519 557 I N -1.224 119.235 120.570 -0.184 0.000 2.439 557 I HA 0.222 4.392 4.170 0.000 0.000 0.251 557 I C 1.042 177.117 176.117 -0.070 0.000 1.139 557 I CA 0.807 62.027 61.300 -0.133 0.000 1.438 557 I CB 0.107 37.961 38.000 -0.243 0.000 1.085 557 I HN 0.302 nan 8.210 nan 0.000 0.427 558 I N -0.400 120.105 120.570 -0.108 0.000 2.692 558 I HA 0.288 4.458 4.170 0.000 0.000 0.293 558 I C -0.429 175.650 176.117 -0.063 0.000 1.200 558 I CA -0.533 60.737 61.300 -0.049 0.000 1.036 558 I CB 1.585 39.538 38.000 -0.079 0.000 1.258 558 I HN -0.131 nan 8.210 nan 0.000 0.421 559 R N 7.315 127.796 120.500 -0.032 0.000 2.490 559 R HA 0.407 4.747 4.340 0.000 0.000 0.280 559 R C -2.338 173.936 176.300 -0.044 0.000 1.077 559 R CA -1.317 54.760 56.100 -0.038 0.000 1.065 559 R CB 0.447 30.734 30.300 -0.021 0.000 1.003 559 R HN 0.404 nan 8.270 nan 0.000 0.470 560 P HA 0.080 nan 4.420 nan 0.000 0.276 560 P C -0.479 176.794 177.300 -0.045 0.000 1.244 560 P CA -0.328 62.741 63.100 -0.052 0.000 0.801 560 P CB 0.841 32.507 31.700 -0.056 0.000 1.006 561 V N 3.915 123.800 119.914 -0.050 0.000 2.320 561 V HA 0.086 4.206 4.120 0.000 0.000 0.265 561 V C 1.625 177.685 176.094 -0.057 0.000 1.048 561 V CA 0.034 62.302 62.300 -0.053 0.000 0.865 561 V CB 0.116 31.902 31.823 -0.062 0.000 1.043 561 V HN 0.461 nan 8.190 nan 0.000 0.474 562 L N 2.062 123.255 121.223 -0.050 0.000 2.375 562 L HA 0.303 4.643 4.340 0.000 0.000 0.215 562 L C 0.624 177.462 176.870 -0.054 0.000 1.108 562 L CA 0.736 55.546 54.840 -0.049 0.000 0.830 562 L CB 0.227 42.263 42.059 -0.038 0.000 0.959 562 L HN 0.568 nan 8.230 nan 0.000 0.457 563 D N -0.785 119.578 120.400 -0.062 0.000 2.668 563 D HA 0.134 4.774 4.640 0.000 0.000 0.247 563 D C -1.827 174.403 176.300 -0.117 0.000 1.268 563 D CA -1.591 52.363 54.000 -0.077 0.000 0.842 563 D CB 1.065 41.828 40.800 -0.061 0.000 1.399 563 D HN -0.231 nan 8.370 nan 0.000 0.530 564 P HA -0.294 nan 4.420 nan 0.000 0.222 564 P C 1.210 178.290 177.300 -0.366 0.000 1.155 564 P CA 1.687 64.684 63.100 -0.173 0.000 0.890 564 P CB 0.218 31.852 31.700 -0.110 0.000 0.790 565 A N -1.071 121.387 122.820 -0.603 0.000 2.070 565 A HA -0.137 4.183 4.320 0.000 0.000 0.220 565 A C 2.328 179.707 177.584 -0.341 0.000 1.159 565 A CA 1.548 53.010 52.037 -0.959 0.000 0.656 565 A CB -0.756 17.827 19.000 -0.695 0.000 0.800 565 A HN 0.166 nan 8.150 nan 0.000 0.453 566 R N -1.202 119.197 120.500 -0.169 0.000 2.225 566 R HA 0.047 4.387 4.340 0.000 0.000 0.194 566 R C 0.339 176.647 176.300 0.012 0.000 0.949 566 R CA 0.866 56.940 56.100 -0.043 0.000 1.088 566 R CB 0.329 30.607 30.300 -0.036 0.000 1.106 566 R HN 0.573 nan 8.270 nan 0.000 0.566 567 D N 0.122 120.516 120.400 -0.009 0.000 2.538 567 D HA -0.033 4.607 4.640 0.000 0.000 0.231 567 D C 1.173 177.479 176.300 0.010 0.000 1.229 567 D CA -0.156 53.854 54.000 0.017 0.000 0.828 567 D CB 0.358 41.157 40.800 -0.003 0.000 1.035 567 D HN 0.061 nan 8.370 nan 0.000 0.495 568 L N -0.515 120.710 121.223 0.003 0.000 2.131 568 L HA 0.270 4.610 4.340 0.000 0.000 0.206 568 L C -0.089 176.686 176.870 -0.158 0.000 1.087 568 L CA 1.019 55.791 54.840 -0.115 0.000 0.767 568 L CB -0.323 41.615 42.059 -0.202 0.000 0.917 568 L HN -0.014 nan 8.230 nan 0.000 0.441 569 W N 1.197 122.533 121.300 0.060 0.000 2.365 569 W HA 0.353 5.013 4.660 -0.000 0.000 0.316 569 W C 0.568 177.112 176.519 0.040 0.000 1.164 569 W CA -0.818 56.567 57.345 0.066 0.000 1.204 569 W CB 0.411 29.919 29.460 0.081 0.000 1.213 569 W HN -0.070 nan 8.180 nan 0.000 0.539 570 D N 0.000 120.558 120.400 0.264 0.000 6.856 570 D HA 0.000 4.640 4.640 0.000 0.000 0.175 570 D CA 0.000 54.093 54.000 0.154 0.000 0.868 570 D CB 0.000 40.859 40.800 0.099 0.000 0.688 570 D HN 0.000 nan 8.370 nan 0.000 0.683