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 1jbq_1_C DATA FIRST_RESID 43 DATA SEQUENCE WIRPDAPSRC TWQLGRPASE SPHHHTAPAK SPKILPDILK KIGDTPMVRI DATA SEQUENCE NKIGKKFGLK CELLAKCEFF NAGGSVKDRI SLRMIEDAER DGTLKPGDTI DATA SEQUENCE IEPTSGNTGI GLALAAAVRG YRCIIVMPEK MSSEKVDVLR ALGAEIVRTP DATA SEQUENCE TXXXXXXXES HVGVAWRLKN EIPNSHILDQ YRNASNPLAH YDTTADEILQ DATA SEQUENCE QCDGKLDMLV ASVGTGGTIT GIARKLKEKC PGCRIIGVDP EGSILAEPEE DATA SEQUENCE LNQTEQTTYE VEGIGYDFIP TVLDRTVVDK WFKSNDEEAF TFARMLIAQE DATA SEQUENCE GLLCGGSAGS TVAVAVKAAQ ELQEGQRCVV ILPDSVRNYM TKFLSDRWML DATA SEQUENCE QKGFL 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 43 W HA 0.000 nan 4.660 nan 0.000 0.303 43 W C 0.000 176.010 176.519 -0.848 0.000 1.175 43 W CA 0.000 56.184 57.345 -1.934 0.000 1.226 43 W CB 0.000 28.738 29.460 -1.204 0.000 1.126 44 I N 7.512 127.469 120.570 -1.021 0.000 2.362 44 I HA 0.510 4.680 4.170 -0.000 0.000 0.289 44 I C 0.708 176.048 176.117 -1.295 0.000 0.994 44 I CA -1.039 59.781 61.300 -0.800 0.000 1.158 44 I CB 0.789 38.566 38.000 -0.371 0.000 1.315 44 I HN 0.506 nan 8.210 nan 0.000 0.451 45 R N 6.871 126.459 120.500 -1.520 0.000 2.500 45 R HA 0.030 4.370 4.340 -0.000 0.000 0.281 45 R C -2.179 173.636 176.300 -0.808 0.000 0.953 45 R CA -0.505 54.664 56.100 -1.552 0.000 1.108 45 R CB -0.419 29.314 30.300 -0.943 0.000 0.901 45 R HN 0.402 nan 8.270 nan 0.000 0.410 46 P HA -0.146 nan 4.420 nan 0.000 0.222 46 P C -0.229 176.967 177.300 -0.173 0.000 1.147 46 P CA 1.581 64.525 63.100 -0.260 0.000 0.790 46 P CB 0.067 31.659 31.700 -0.180 0.000 0.780 47 D N -1.640 118.589 120.400 -0.285 0.000 2.340 47 D HA 0.146 4.786 4.640 -0.000 0.000 0.220 47 D C 0.496 176.731 176.300 -0.108 0.000 1.039 47 D CA -0.242 53.675 54.000 -0.138 0.000 0.866 47 D CB -0.523 40.178 40.800 -0.164 0.000 0.913 47 D HN -0.020 nan 8.370 nan 0.000 0.523 48 A N 2.264 124.983 122.820 -0.167 0.000 2.567 48 A HA 0.192 4.512 4.320 -0.000 0.000 0.240 48 A C -1.923 175.630 177.584 -0.051 0.000 1.053 48 A CA -0.910 51.054 52.037 -0.122 0.000 0.755 48 A CB -0.080 18.831 19.000 -0.149 0.000 0.978 48 A HN 0.154 nan 8.150 nan 0.000 0.507 49 P HA 0.078 nan 4.420 nan 0.000 0.276 49 P C 0.251 177.556 177.300 0.008 0.000 1.253 49 P CA 0.054 63.156 63.100 0.003 0.000 0.766 49 P CB 0.836 32.541 31.700 0.008 0.000 0.845 50 S N 3.684 119.397 115.700 0.022 0.000 2.537 50 S HA -0.083 4.387 4.470 -0.000 0.000 0.280 50 S C 0.988 175.609 174.600 0.035 0.000 1.335 50 S CA 0.373 58.591 58.200 0.029 0.000 1.025 50 S CB 0.097 63.321 63.200 0.041 0.000 0.836 50 S HN 0.395 nan 8.310 nan 0.000 0.523 51 R N 1.052 121.577 120.500 0.040 0.000 2.535 51 R HA 0.259 4.599 4.340 -0.000 0.000 0.323 51 R C 0.133 176.471 176.300 0.064 0.000 0.979 51 R CA -0.229 55.897 56.100 0.043 0.000 1.120 51 R CB -0.207 30.110 30.300 0.029 0.000 1.306 51 R HN 0.603 nan 8.270 nan 0.000 0.540 52 C N 1.747 121.099 119.300 0.086 0.000 2.634 52 C HA 0.034 4.494 4.460 -0.000 0.000 0.417 52 C C 1.952 177.024 174.990 0.138 0.000 1.334 52 C CA 0.689 59.783 59.018 0.128 0.000 1.829 52 C CB 0.230 28.055 27.740 0.141 0.000 2.665 52 C HN 0.712 nan 8.230 nan 0.000 0.614 53 T N 1.827 116.466 114.554 0.141 0.000 3.145 53 T HA 0.088 4.437 4.350 -0.000 0.000 0.255 53 T C 0.109 174.894 174.700 0.142 0.000 1.039 53 T CA -0.413 61.755 62.100 0.113 0.000 0.928 53 T CB -0.215 68.686 68.868 0.056 0.000 1.029 53 T HN 0.836 nan 8.240 nan 0.000 0.554 54 W N 2.823 124.137 121.300 0.022 0.000 2.209 54 W HA 0.329 4.989 4.660 -0.000 0.000 0.344 54 W C -0.385 176.140 176.519 0.010 0.000 1.285 54 W CA 0.284 57.636 57.345 0.012 0.000 1.267 54 W CB 0.374 29.830 29.460 -0.005 0.000 1.167 54 W HN 0.229 nan 8.180 nan 0.000 0.574 55 Q N 5.576 124.781 119.800 -0.993 0.000 2.295 55 Q HA 0.199 4.538 4.340 -0.000 0.000 0.268 55 Q C -1.217 173.902 176.000 -1.469 0.000 1.010 55 Q CA -1.387 53.815 55.803 -1.002 0.000 0.856 55 Q CB 2.083 30.571 28.738 -0.418 0.000 1.349 55 Q HN 0.541 nan 8.270 nan 0.000 0.412 56 L N 1.476 121.873 121.223 -1.377 0.000 2.514 56 L HA 0.254 4.594 4.340 -0.000 0.000 0.280 56 L C 1.112 177.750 176.870 -0.387 0.000 1.223 56 L CA 2.599 57.010 54.840 -0.714 0.000 0.864 56 L CB 0.061 41.999 42.059 -0.202 0.000 1.118 56 L HN 0.956 nan 8.230 nan 0.000 0.494 57 G N 3.224 111.887 108.800 -0.228 0.000 2.213 57 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.236 57 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.236 57 G C 0.614 175.428 174.900 -0.144 0.000 0.991 57 G CA 0.273 45.289 45.100 -0.140 0.000 0.629 57 G HN 0.809 nan 8.290 nan 0.000 0.517 58 R N 1.572 121.934 120.500 -0.231 0.000 2.308 58 R HA 0.506 4.846 4.340 -0.000 0.000 0.305 58 R C -2.053 174.196 176.300 -0.084 0.000 1.053 58 R CA -1.482 54.513 56.100 -0.174 0.000 0.957 58 R CB 0.491 30.638 30.300 -0.256 0.000 1.022 58 R HN 0.094 nan 8.270 nan 0.000 0.461 59 P HA -0.051 nan 4.420 nan 0.000 0.266 59 P C -0.371 176.954 177.300 0.042 0.000 1.193 59 P CA 0.205 63.309 63.100 0.006 0.000 0.770 59 P CB 0.829 32.531 31.700 0.003 0.000 0.836 60 A N 2.229 125.087 122.820 0.064 0.000 2.066 60 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 60 A C 2.032 179.665 177.584 0.082 0.000 1.157 60 A CA 1.569 53.659 52.037 0.089 0.000 0.670 60 A CB -1.358 17.682 19.000 0.066 0.000 0.804 60 A HN 0.601 nan 8.150 nan 0.000 0.453 61 S N 0.077 115.813 115.700 0.059 0.000 2.469 61 S HA -0.150 4.320 4.470 -0.000 0.000 0.238 61 S C 1.238 175.875 174.600 0.062 0.000 0.998 61 S CA 1.334 59.569 58.200 0.058 0.000 0.957 61 S CB -0.358 62.865 63.200 0.037 0.000 0.764 61 S HN 0.699 nan 8.310 nan 0.000 0.514 62 E N 1.394 121.629 120.200 0.059 0.000 2.489 62 E HA 0.154 4.504 4.350 -0.000 0.000 0.193 62 E C 0.345 176.987 176.600 0.069 0.000 1.057 62 E CA -0.158 56.270 56.400 0.048 0.000 0.866 62 E CB 0.263 29.977 29.700 0.024 0.000 0.916 62 E HN 0.480 nan 8.360 nan 0.000 0.500 63 S N 1.971 117.747 115.700 0.127 0.000 2.549 63 S HA 0.103 4.573 4.470 -0.000 0.000 0.279 63 S C -1.537 173.108 174.600 0.074 0.000 1.321 63 S CA -1.262 57.042 58.200 0.174 0.000 1.054 63 S CB 0.809 64.254 63.200 0.408 0.000 0.899 63 S HN -0.002 nan 8.310 nan 0.000 0.497 64 P HA 0.221 nan 4.420 nan 0.000 0.266 64 P C -0.493 176.668 177.300 -0.231 0.000 1.381 64 P CA -0.094 62.903 63.100 -0.172 0.000 0.940 64 P CB 0.063 31.615 31.700 -0.247 0.000 1.435 65 H N 0.017 119.099 119.070 0.020 0.000 2.496 65 H HA 0.203 4.759 4.556 -0.000 0.000 0.342 65 H C 0.006 175.214 175.328 -0.200 0.000 1.170 65 H CA -0.278 55.684 56.048 -0.142 0.000 1.274 65 H CB 0.927 30.495 29.762 -0.323 0.000 1.538 65 H HN 0.163 nan 8.280 nan 0.000 0.542 66 H N 2.973 121.960 119.070 -0.137 0.000 2.723 66 H HA 0.110 4.666 4.556 -0.000 0.000 0.294 66 H C -0.598 174.585 175.328 -0.241 0.000 1.079 66 H CA -0.393 55.587 56.048 -0.113 0.000 1.411 66 H CB 0.154 29.884 29.762 -0.052 0.000 1.439 66 H HN 0.529 nan 8.280 nan 0.000 0.474 67 H N 3.770 122.717 119.070 -0.205 0.000 2.472 67 H HA 0.219 4.775 4.556 -0.000 0.000 0.338 67 H C -0.170 174.961 175.328 -0.328 0.000 1.133 67 H CA -0.462 55.475 56.048 -0.185 0.000 1.216 67 H CB 2.085 31.859 29.762 0.019 0.000 1.497 67 H HN 0.586 nan 8.280 nan 0.000 0.500 68 T N 1.325 115.819 114.554 -0.101 0.000 2.912 68 T HA 0.594 4.944 4.350 -0.000 0.000 0.288 68 T C -0.151 174.525 174.700 -0.040 0.000 1.030 68 T CA -0.623 61.412 62.100 -0.109 0.000 1.020 68 T CB 1.659 70.455 68.868 -0.121 0.000 1.056 68 T HN 0.704 nan 8.240 nan 0.000 0.480 69 A N 3.072 125.869 122.820 -0.039 0.000 2.306 69 A HA 0.818 5.138 4.320 -0.000 0.000 0.330 69 A C -2.471 175.090 177.584 -0.040 0.000 1.146 69 A CA -1.684 50.330 52.037 -0.039 0.000 0.827 69 A CB -0.084 18.898 19.000 -0.029 0.000 1.178 69 A HN 0.575 nan 8.150 nan 0.000 0.490 70 P HA 0.384 nan 4.420 nan 0.000 0.269 70 P C -0.590 176.691 177.300 -0.033 0.000 1.217 70 P CA 0.239 63.313 63.100 -0.042 0.000 0.783 70 P CB 0.662 32.333 31.700 -0.048 0.000 0.898 71 A N 1.264 124.066 122.820 -0.030 0.000 2.393 71 A HA 0.504 4.824 4.320 -0.000 0.000 0.306 71 A C -0.625 176.943 177.584 -0.026 0.000 1.050 71 A CA -0.694 51.328 52.037 -0.024 0.000 0.724 71 A CB 1.161 20.150 19.000 -0.019 0.000 1.248 71 A HN 0.399 nan 8.150 nan 0.000 0.424 72 K N 0.807 121.192 120.400 -0.025 0.000 2.098 72 K HA 0.436 4.756 4.320 -0.000 0.000 0.261 72 K C 0.372 176.958 176.600 -0.024 0.000 0.987 72 K CA -0.295 55.976 56.287 -0.027 0.000 0.916 72 K CB 1.517 34.001 32.500 -0.028 0.000 1.039 72 K HN 0.727 nan 8.250 nan 0.000 0.455 73 S N 3.428 119.112 115.700 -0.027 0.000 2.525 73 S HA 0.111 4.581 4.470 -0.000 0.000 0.285 73 S C -1.636 172.953 174.600 -0.019 0.000 1.283 73 S CA -1.225 56.961 58.200 -0.023 0.000 1.072 73 S CB 0.059 63.242 63.200 -0.027 0.000 0.867 73 S HN 0.362 nan 8.310 nan 0.000 0.492 74 P HA 0.281 nan 4.420 nan 0.000 0.279 74 P C 0.619 177.912 177.300 -0.011 0.000 1.276 74 P CA -0.704 62.389 63.100 -0.012 0.000 0.801 74 P CB 0.741 32.435 31.700 -0.009 0.000 1.127 75 K N -0.283 120.111 120.400 -0.010 0.000 1.977 75 K HA -0.052 4.268 4.320 -0.000 0.000 0.218 75 K C 0.730 177.326 176.600 -0.007 0.000 1.051 75 K CA 1.359 57.641 56.287 -0.009 0.000 0.953 75 K CB -0.302 32.193 32.500 -0.008 0.000 0.727 75 K HN 0.424 nan 8.250 nan 0.000 0.445 76 I N 2.252 122.819 120.570 -0.006 0.000 2.354 76 I HA 0.099 4.269 4.170 -0.000 0.000 0.292 76 I C -0.931 175.184 176.117 -0.004 0.000 0.989 76 I CA -0.907 60.390 61.300 -0.004 0.000 1.188 76 I CB 1.440 39.438 38.000 -0.004 0.000 1.342 76 I HN 0.033 nan 8.210 nan 0.000 0.457 77 L N 9.430 130.651 121.223 -0.003 0.000 2.290 77 L HA 0.289 4.628 4.340 -0.000 0.000 0.284 77 L C -0.939 175.929 176.870 -0.002 0.000 1.078 77 L CA -1.097 53.742 54.840 -0.002 0.000 0.815 77 L CB 0.013 42.072 42.059 -0.000 0.000 1.162 77 L HN 0.438 nan 8.230 nan 0.000 0.435 78 P HA -0.088 nan 4.420 nan 0.000 0.220 78 P C -0.506 176.792 177.300 -0.004 0.000 1.148 78 P CA 0.941 64.039 63.100 -0.004 0.000 0.803 78 P CB 0.162 31.860 31.700 -0.004 0.000 0.782 79 D N -3.412 116.987 120.400 -0.002 0.000 2.671 79 D HA 0.089 4.729 4.640 -0.000 0.000 0.273 79 D C 0.347 176.648 176.300 0.002 0.000 1.264 79 D CA -0.798 53.201 54.000 -0.002 0.000 0.788 79 D CB -0.050 40.747 40.800 -0.004 0.000 1.324 79 D HN -0.284 nan 8.370 nan 0.000 0.424 80 I N 0.447 121.020 120.570 0.005 0.000 2.454 80 I HA -0.018 4.152 4.170 -0.000 0.000 0.254 80 I C 1.670 177.794 176.117 0.011 0.000 1.156 80 I CA 1.037 62.343 61.300 0.010 0.000 1.433 80 I CB -0.353 37.654 38.000 0.012 0.000 1.082 80 I HN 0.569 nan 8.210 nan 0.000 0.432 81 L N -0.375 120.854 121.223 0.010 0.000 2.261 81 L HA -0.214 4.126 4.340 -0.000 0.000 0.216 81 L C 1.991 178.865 176.870 0.007 0.000 1.114 81 L CA 0.853 55.700 54.840 0.011 0.000 0.777 81 L CB -0.708 41.358 42.059 0.012 0.000 0.910 81 L HN 0.076 nan 8.230 nan 0.000 0.440 82 K N 0.270 120.673 120.400 0.005 0.000 2.504 82 K HA -0.093 4.227 4.320 -0.000 0.000 0.195 82 K C 1.122 177.723 176.600 0.001 0.000 1.036 82 K CA 0.644 56.931 56.287 0.001 0.000 0.984 82 K CB -0.102 32.398 32.500 -0.001 0.000 0.788 82 K HN -0.122 nan 8.250 nan 0.000 0.488 83 K N 0.959 121.364 120.400 0.008 0.000 2.965 83 K HA 0.304 4.624 4.320 -0.000 0.000 0.216 83 K C -1.069 175.543 176.600 0.019 0.000 1.164 83 K CA -0.057 56.239 56.287 0.014 0.000 1.153 83 K CB -0.300 32.213 32.500 0.023 0.000 1.045 83 K HN -0.049 nan 8.250 nan 0.000 0.460 84 I N 0.313 120.889 120.570 0.010 0.000 2.466 84 I HA 0.551 4.721 4.170 -0.000 0.000 0.289 84 I C 0.262 176.378 176.117 -0.002 0.000 1.026 84 I CA -0.528 60.778 61.300 0.010 0.000 1.078 84 I CB 1.932 39.934 38.000 0.004 0.000 1.249 84 I HN 0.416 nan 8.210 nan 0.000 0.429 85 G N 4.265 113.065 108.800 -0.000 0.000 2.710 85 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.668 85 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.668 85 G C -0.111 174.777 174.900 -0.021 0.000 1.320 85 G CA -0.108 44.985 45.100 -0.012 0.000 0.860 85 G HN 0.988 nan 8.290 nan 0.000 0.538 86 D N -1.043 119.339 120.400 -0.031 0.000 2.708 86 D HA -0.098 4.542 4.640 -0.000 0.000 0.236 86 D C 0.920 177.181 176.300 -0.064 0.000 1.146 86 D CA 2.874 56.847 54.000 -0.046 0.000 0.662 86 D CB -1.285 39.489 40.800 -0.043 0.000 1.059 86 D HN 1.636 nan 8.370 nan 0.000 0.428 87 T N -1.690 112.829 114.554 -0.059 0.000 2.899 87 T HA 0.568 4.918 4.350 -0.000 0.000 0.295 87 T C -2.142 172.477 174.700 -0.134 0.000 1.033 87 T CA -1.375 60.673 62.100 -0.087 0.000 1.084 87 T CB 1.754 70.595 68.868 -0.045 0.000 0.979 87 T HN 0.059 nan 8.240 nan 0.000 0.532 88 P HA 0.255 nan 4.420 nan 0.000 0.275 88 P C -0.922 176.291 177.300 -0.146 0.000 1.227 88 P CA -0.641 62.318 63.100 -0.234 0.000 0.781 88 P CB 0.607 32.053 31.700 -0.424 0.000 0.906 89 M N 4.320 123.859 119.600 -0.103 0.000 2.061 89 M HA 0.273 4.753 4.480 -0.000 0.000 0.346 89 M C -1.417 174.857 176.300 -0.045 0.000 1.112 89 M CA -0.527 54.738 55.300 -0.059 0.000 1.021 89 M CB 0.343 32.914 32.600 -0.049 0.000 1.530 89 M HN 0.026 nan 8.290 nan 0.000 0.437 90 V N 5.225 125.131 119.914 -0.013 0.000 2.513 90 V HA 0.561 4.681 4.120 -0.000 0.000 0.299 90 V C 0.028 176.137 176.094 0.026 0.000 1.035 90 V CA -0.960 61.347 62.300 0.012 0.000 0.889 90 V CB 1.739 33.594 31.823 0.053 0.000 0.988 90 V HN 0.754 nan 8.190 nan 0.000 0.440 91 R N 3.883 124.396 120.500 0.022 0.000 2.298 91 R HA 0.349 4.689 4.340 -0.000 0.000 0.310 91 R C -0.783 175.539 176.300 0.038 0.000 1.068 91 R CA -0.588 55.526 56.100 0.023 0.000 0.957 91 R CB 0.535 30.844 30.300 0.015 0.000 1.003 91 R HN 0.542 nan 8.270 nan 0.000 0.454 92 I N 5.124 125.717 120.570 0.038 0.000 2.396 92 I HA 0.013 4.183 4.170 -0.000 0.000 0.289 92 I C 0.794 176.937 176.117 0.044 0.000 1.056 92 I CA 0.116 61.445 61.300 0.048 0.000 1.365 92 I CB 1.019 39.047 38.000 0.047 0.000 1.407 92 I HN 0.688 nan 8.210 nan 0.000 0.509 93 N N 4.845 123.573 118.700 0.046 0.000 2.348 93 N HA 0.072 4.812 4.740 -0.000 0.000 0.183 93 N C 1.096 176.633 175.510 0.045 0.000 1.094 93 N CA 0.402 53.476 53.050 0.040 0.000 0.885 93 N CB 1.033 39.541 38.487 0.034 0.000 1.065 93 N HN 0.552 nan 8.380 nan 0.000 0.472 94 K N 0.711 121.142 120.400 0.053 0.000 2.267 94 K HA 0.314 4.634 4.320 -0.000 0.000 0.213 94 K C 1.980 178.634 176.600 0.091 0.000 1.060 94 K CA -0.014 56.307 56.287 0.056 0.000 0.935 94 K CB 0.299 32.824 32.500 0.042 0.000 1.096 94 K HN -0.121 nan 8.250 nan 0.000 0.468 95 I N 1.820 122.456 120.570 0.112 0.000 2.113 95 I HA -0.315 3.855 4.170 -0.000 0.000 0.242 95 I C 2.469 178.756 176.117 0.282 0.000 1.057 95 I CA 1.833 63.253 61.300 0.200 0.000 1.314 95 I CB -0.811 37.277 38.000 0.147 0.000 1.022 95 I HN 0.388 nan 8.210 nan 0.000 0.408 96 G N 0.861 109.757 108.800 0.161 0.000 2.446 96 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.217 96 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.217 96 G C 1.709 176.710 174.900 0.169 0.000 1.168 96 G CA 0.613 45.798 45.100 0.142 0.000 0.771 96 G HN 0.207 nan 8.290 nan 0.000 0.551 97 K N 0.728 121.199 120.400 0.119 0.000 2.057 97 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 97 K C 2.256 178.905 176.600 0.082 0.000 1.049 97 K CA 1.188 57.525 56.287 0.084 0.000 0.931 97 K CB -0.441 32.090 32.500 0.051 0.000 0.714 97 K HN 0.437 nan 8.250 nan 0.000 0.440 98 K N 0.035 120.491 120.400 0.094 0.000 2.360 98 K HA -0.102 4.218 4.320 -0.000 0.000 0.201 98 K C 0.716 177.223 176.600 -0.156 0.000 1.046 98 K CA 0.993 57.266 56.287 -0.024 0.000 0.940 98 K CB 0.011 32.492 32.500 -0.032 0.000 0.748 98 K HN -0.005 nan 8.250 nan 0.000 0.465 99 F N -0.463 119.502 119.950 0.025 0.000 2.668 99 F HA 0.292 4.819 4.527 -0.000 0.000 0.301 99 F C 1.238 177.052 175.800 0.024 0.000 1.106 99 F CA 0.262 58.283 58.000 0.035 0.000 1.289 99 F CB 1.279 40.315 39.000 0.061 0.000 1.006 99 F HN 0.200 nan 8.300 nan 0.000 0.535 100 G N 0.463 109.340 108.800 0.129 0.000 2.179 100 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.260 100 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.260 100 G C 0.114 175.063 174.900 0.082 0.000 0.977 100 G CA -0.381 44.770 45.100 0.085 0.000 0.641 100 G HN 0.135 nan 8.290 nan 0.000 0.533 101 L N 0.683 121.967 121.223 0.102 0.000 2.559 101 L HA 0.317 4.657 4.340 -0.000 0.000 0.274 101 L C 1.594 178.490 176.870 0.044 0.000 1.205 101 L CA 1.115 55.994 54.840 0.064 0.000 0.907 101 L CB 0.745 42.841 42.059 0.061 0.000 1.153 101 L HN 0.285 nan 8.230 nan 0.000 0.490 102 K N 2.676 123.093 120.400 0.029 0.000 2.367 102 K HA 0.114 4.434 4.320 -0.000 0.000 0.194 102 K C 0.623 177.232 176.600 0.015 0.000 1.027 102 K CA 0.085 56.385 56.287 0.022 0.000 1.075 102 K CB 0.107 32.618 32.500 0.018 0.000 0.845 102 K HN 0.804 nan 8.250 nan 0.000 0.529 103 C N 0.280 119.586 119.300 0.011 0.000 2.365 103 C HA 0.396 4.856 4.460 -0.000 0.000 0.374 103 C C 0.398 175.391 174.990 0.005 0.000 1.318 103 C CA -1.108 57.912 59.018 0.004 0.000 2.239 103 C CB 0.709 28.446 27.740 -0.005 0.000 2.144 103 C HN 0.354 nan 8.230 nan 0.000 0.581 104 E N 0.209 120.408 120.200 -0.000 0.000 2.200 104 E HA 0.450 4.800 4.350 -0.000 0.000 0.283 104 E C -1.367 175.230 176.600 -0.005 0.000 1.015 104 E CA -0.433 55.968 56.400 0.001 0.000 0.819 104 E CB 0.775 30.474 29.700 -0.002 0.000 1.081 104 E HN 0.719 nan 8.360 nan 0.000 0.397 105 L N 6.932 128.155 121.223 0.000 0.000 2.265 105 L HA 0.392 4.732 4.340 -0.000 0.000 0.289 105 L C -0.973 175.897 176.870 -0.001 0.000 1.033 105 L CA -0.622 54.215 54.840 -0.006 0.000 0.814 105 L CB 0.615 42.673 42.059 -0.001 0.000 1.203 105 L HN 0.621 nan 8.230 nan 0.000 0.423 106 L N 3.955 125.172 121.223 -0.009 0.000 2.334 106 L HA 0.720 5.060 4.340 -0.000 0.000 0.273 106 L C -0.075 176.795 176.870 0.001 0.000 1.013 106 L CA -0.618 54.220 54.840 -0.003 0.000 0.816 106 L CB 1.940 43.992 42.059 -0.012 0.000 1.278 106 L HN 0.596 nan 8.230 nan 0.000 0.431 107 A N 2.080 124.912 122.820 0.020 0.000 2.318 107 A HA 0.520 4.840 4.320 -0.000 0.000 0.317 107 A C -0.677 176.924 177.584 0.029 0.000 1.159 107 A CA -0.646 51.414 52.037 0.039 0.000 0.799 107 A CB 1.129 20.184 19.000 0.092 0.000 1.194 107 A HN 0.486 nan 8.150 nan 0.000 0.479 108 K N 2.293 122.703 120.400 0.016 0.000 2.250 108 K HA 0.224 4.544 4.320 -0.000 0.000 0.285 108 K C -0.870 175.735 176.600 0.008 0.000 1.097 108 K CA -0.124 56.160 56.287 -0.005 0.000 0.913 108 K CB 0.011 32.504 32.500 -0.012 0.000 1.179 108 K HN 0.736 nan 8.250 nan 0.000 0.462 109 C N 3.794 123.067 119.300 -0.045 0.000 2.311 109 C HA 0.155 4.615 4.460 -0.000 0.000 0.357 109 C C 1.635 176.477 174.990 -0.247 0.000 1.086 109 C CA -0.683 58.205 59.018 -0.217 0.000 1.486 109 C CB -1.030 26.465 27.740 -0.408 0.000 1.974 109 C HN 0.689 nan 8.230 nan 0.000 0.508 110 E N 1.175 121.335 120.200 -0.068 0.000 2.482 110 E HA -0.002 4.348 4.350 -0.000 0.000 0.196 110 E C 1.327 177.944 176.600 0.028 0.000 1.047 110 E CA 0.461 56.865 56.400 0.007 0.000 0.869 110 E CB -0.138 29.606 29.700 0.073 0.000 0.836 110 E HN 0.849 nan 8.360 nan 0.000 0.520 111 F N -2.513 117.466 119.950 0.048 0.000 2.771 111 F HA 0.146 4.673 4.527 -0.000 0.000 0.299 111 F C 0.902 176.594 175.800 -0.179 0.000 1.177 111 F CA 0.050 58.006 58.000 -0.073 0.000 1.450 111 F CB -0.564 38.356 39.000 -0.134 0.000 1.114 111 F HN -0.088 nan 8.300 nan 0.000 0.587 112 F N 0.325 120.149 119.950 -0.211 0.000 2.765 112 F HA 0.171 4.698 4.527 -0.000 0.000 0.302 112 F C 0.987 176.759 175.800 -0.047 0.000 1.111 112 F CA -0.445 57.480 58.000 -0.125 0.000 1.359 112 F CB -0.405 38.460 39.000 -0.225 0.000 1.097 112 F HN -0.126 nan 8.300 nan 0.000 0.577 113 N N 0.723 119.486 118.700 0.105 0.000 2.453 113 N HA 0.051 4.791 4.740 -0.000 0.000 0.253 113 N C 1.416 176.966 175.510 0.067 0.000 1.252 113 N CA 0.681 53.776 53.050 0.075 0.000 0.917 113 N CB 0.907 39.428 38.487 0.056 0.000 1.117 113 N HN 0.145 nan 8.380 nan 0.000 0.442 114 A N 2.223 125.074 122.820 0.052 0.000 1.954 114 A HA -0.214 4.106 4.320 -0.000 0.000 0.222 114 A C 1.809 179.415 177.584 0.036 0.000 1.199 114 A CA 2.425 54.488 52.037 0.043 0.000 0.657 114 A CB -1.014 18.004 19.000 0.031 0.000 0.823 114 A HN 0.740 nan 8.150 nan 0.000 0.463 115 G N -3.143 105.677 108.800 0.034 0.000 3.042 115 G HA2 0.397 4.357 3.960 -0.000 0.000 0.212 115 G HA3 0.397 4.357 3.960 -0.000 0.000 0.212 115 G C 1.146 176.064 174.900 0.030 0.000 1.166 115 G CA 0.732 45.848 45.100 0.027 0.000 0.767 115 G HN 1.772 nan 8.290 nan 0.000 0.546 116 G N -0.641 108.186 108.800 0.046 0.000 2.157 116 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.239 116 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.239 116 G C 0.306 175.264 174.900 0.097 0.000 0.982 116 G CA 0.714 45.852 45.100 0.063 0.000 0.650 116 G HN 1.677 nan 8.290 nan 0.000 0.527 117 S N -2.295 113.456 115.700 0.086 0.000 2.607 117 S HA 0.663 5.133 4.470 -0.000 0.000 0.273 117 S C 0.697 175.352 174.600 0.091 0.000 1.148 117 S CA 0.303 58.564 58.200 0.102 0.000 0.833 117 S CB 1.743 64.994 63.200 0.084 0.000 1.130 117 S HN 1.403 nan 8.310 nan 0.000 0.470 118 V N 1.465 121.441 119.914 0.102 0.000 2.913 118 V HA -0.024 4.096 4.120 -0.000 0.000 0.260 118 V C 1.739 177.899 176.094 0.109 0.000 1.098 118 V CA 1.519 63.886 62.300 0.113 0.000 1.121 118 V CB -0.888 31.002 31.823 0.113 0.000 0.714 118 V HN 0.817 nan 8.190 nan 0.000 0.487 119 K N 0.207 120.654 120.400 0.077 0.000 2.365 119 K HA -0.084 4.236 4.320 -0.000 0.000 0.199 119 K C 1.607 178.220 176.600 0.022 0.000 1.045 119 K CA 1.182 57.498 56.287 0.049 0.000 0.962 119 K CB -0.472 32.050 32.500 0.036 0.000 0.759 119 K HN 0.542 nan 8.250 nan 0.000 0.469 120 D N 0.654 121.071 120.400 0.028 0.000 2.218 120 D HA -0.122 4.518 4.640 -0.000 0.000 0.204 120 D C 1.942 178.237 176.300 -0.008 0.000 0.976 120 D CA 0.812 54.821 54.000 0.014 0.000 0.853 120 D CB 0.019 40.833 40.800 0.024 0.000 0.939 120 D HN 0.193 nan 8.370 nan 0.000 0.481 121 R N 0.377 120.866 120.500 -0.019 0.000 2.061 121 R HA -0.023 4.316 4.340 -0.000 0.000 0.230 121 R C 2.656 178.889 176.300 -0.113 0.000 1.140 121 R CA 1.160 57.215 56.100 -0.076 0.000 0.940 121 R CB -0.496 29.727 30.300 -0.127 0.000 0.839 121 R HN 0.306 nan 8.270 nan 0.000 0.429 122 I N -1.064 119.432 120.570 -0.123 0.000 2.454 122 I HA -0.157 4.013 4.170 -0.000 0.000 0.254 122 I C 1.725 177.796 176.117 -0.077 0.000 1.156 122 I CA 1.464 62.691 61.300 -0.120 0.000 1.433 122 I CB -0.198 37.748 38.000 -0.089 0.000 1.082 122 I HN -0.060 nan 8.210 nan 0.000 0.432 123 S N 1.660 117.330 115.700 -0.050 0.000 2.345 123 S HA -0.105 4.364 4.470 -0.000 0.000 0.220 123 S C 1.892 176.470 174.600 -0.036 0.000 1.031 123 S CA 1.623 59.800 58.200 -0.038 0.000 0.996 123 S CB -0.602 62.588 63.200 -0.017 0.000 0.882 123 S HN 0.516 nan 8.310 nan 0.000 0.445 124 L N 2.102 123.308 121.223 -0.029 0.000 2.042 124 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 124 L C 2.255 179.106 176.870 -0.031 0.000 1.076 124 L CA 1.792 56.622 54.840 -0.018 0.000 0.749 124 L CB -0.596 41.454 42.059 -0.015 0.000 0.893 124 L HN 0.068 nan 8.230 nan 0.000 0.432 125 R N -0.728 119.740 120.500 -0.054 0.000 2.092 125 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 125 R C 2.141 178.406 176.300 -0.059 0.000 1.119 125 R CA 1.898 57.962 56.100 -0.061 0.000 0.970 125 R CB -0.439 29.803 30.300 -0.095 0.000 0.864 125 R HN 0.445 nan 8.270 nan 0.000 0.440 126 M N -0.785 118.774 119.600 -0.068 0.000 2.254 126 M HA -0.050 4.430 4.480 -0.000 0.000 0.265 126 M C 1.952 178.200 176.300 -0.087 0.000 1.066 126 M CA 1.346 56.601 55.300 -0.074 0.000 1.123 126 M CB -0.095 32.459 32.600 -0.077 0.000 1.388 126 M HN 0.138 nan 8.290 nan 0.000 0.425 127 I N -0.165 120.356 120.570 -0.082 0.000 2.233 127 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 127 I C 2.142 178.220 176.117 -0.065 0.000 1.093 127 I CA 1.368 62.605 61.300 -0.105 0.000 1.380 127 I CB -0.338 37.629 38.000 -0.055 0.000 1.067 127 I HN 0.311 nan 8.210 nan 0.000 0.413 128 E N 0.725 120.911 120.200 -0.023 0.000 2.085 128 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 128 E C 1.683 178.281 176.600 -0.003 0.000 0.994 128 E CA 1.415 57.816 56.400 0.002 0.000 0.801 128 E CB -0.010 29.698 29.700 0.014 0.000 0.743 128 E HN 0.407 nan 8.360 nan 0.000 0.453 129 D N -0.019 120.374 120.400 -0.012 0.000 2.144 129 D HA -0.102 4.537 4.640 -0.000 0.000 0.200 129 D C 1.732 178.007 176.300 -0.041 0.000 0.978 129 D CA 1.118 55.117 54.000 -0.001 0.000 0.833 129 D CB -0.143 40.654 40.800 -0.004 0.000 0.961 129 D HN 0.164 nan 8.370 nan 0.000 0.470 130 A N 0.571 123.342 122.820 -0.082 0.000 2.014 130 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 130 A C 2.014 179.523 177.584 -0.125 0.000 1.163 130 A CA 1.046 53.004 52.037 -0.131 0.000 0.652 130 A CB -0.246 18.624 19.000 -0.217 0.000 0.808 130 A HN 0.172 nan 8.150 nan 0.000 0.449 131 E N -0.687 119.463 120.200 -0.082 0.000 2.051 131 E HA -0.107 4.243 4.350 -0.000 0.000 0.189 131 E C 2.281 178.862 176.600 -0.032 0.000 0.979 131 E CA 0.692 57.069 56.400 -0.037 0.000 0.803 131 E CB -0.165 29.546 29.700 0.019 0.000 0.761 131 E HN 0.518 nan 8.360 nan 0.000 0.451 132 R N 1.017 121.498 120.500 -0.033 0.000 2.105 132 R HA -0.184 4.156 4.340 -0.000 0.000 0.239 132 R C 1.644 177.904 176.300 -0.066 0.000 1.135 132 R CA 1.492 57.560 56.100 -0.052 0.000 0.967 132 R CB -0.053 30.207 30.300 -0.066 0.000 0.861 132 R HN 0.084 nan 8.270 nan 0.000 0.442 133 D N -1.249 119.114 120.400 -0.061 0.000 2.218 133 D HA -0.081 4.559 4.640 -0.000 0.000 0.204 133 D C 1.193 177.465 176.300 -0.046 0.000 0.976 133 D CA 1.609 55.575 54.000 -0.057 0.000 0.853 133 D CB 0.066 40.831 40.800 -0.057 0.000 0.939 133 D HN 0.565 nan 8.370 nan 0.000 0.481 134 G N -1.290 107.482 108.800 -0.045 0.000 2.213 134 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.236 134 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.236 134 G C 1.394 176.275 174.900 -0.032 0.000 0.991 134 G CA 0.907 45.990 45.100 -0.028 0.000 0.629 134 G HN 0.365 nan 8.290 nan 0.000 0.517 135 T N 0.071 114.585 114.554 -0.066 0.000 2.668 135 T HA 0.071 4.421 4.350 -0.000 0.000 0.262 135 T C 1.023 175.589 174.700 -0.224 0.000 1.045 135 T CA 1.408 63.447 62.100 -0.101 0.000 1.152 135 T CB -0.021 68.759 68.868 -0.148 0.000 0.864 135 T HN 0.420 nan 8.240 nan 0.000 0.419 136 L N 2.917 123.951 121.223 -0.315 0.000 2.268 136 L HA 0.307 4.647 4.340 -0.000 0.000 0.289 136 L C -0.279 176.547 176.870 -0.074 0.000 1.064 136 L CA -0.185 54.428 54.840 -0.380 0.000 0.824 136 L CB 0.034 41.809 42.059 -0.472 0.000 1.202 136 L HN -0.004 nan 8.230 nan 0.000 0.433 137 K N 5.796 126.223 120.400 0.044 0.000 2.098 137 K HA 0.475 4.795 4.320 -0.000 0.000 0.261 137 K C -2.367 174.382 176.600 0.247 0.000 0.987 137 K CA -1.780 54.584 56.287 0.128 0.000 0.916 137 K CB 0.351 32.916 32.500 0.109 0.000 1.039 137 K HN 0.369 nan 8.250 nan 0.000 0.455 138 P HA -0.087 nan 4.420 nan 0.000 0.264 138 P C 0.523 177.885 177.300 0.104 0.000 1.183 138 P CA 1.069 64.223 63.100 0.089 0.000 0.763 138 P CB 0.435 32.140 31.700 0.008 0.000 0.807 139 G N 1.568 110.403 108.800 0.057 0.000 2.184 139 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.264 139 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.264 139 G C 0.215 175.232 174.900 0.194 0.000 0.975 139 G CA -0.056 45.097 45.100 0.090 0.000 0.642 139 G HN 0.480 nan 8.290 nan 0.000 0.536 140 D N 0.520 121.116 120.400 0.326 0.000 2.363 140 D HA 0.518 5.158 4.640 -0.000 0.000 0.240 140 D C 0.763 177.196 176.300 0.221 0.000 1.236 140 D CA 0.715 54.864 54.000 0.247 0.000 0.927 140 D CB 0.557 41.508 40.800 0.251 0.000 1.150 140 D HN 0.087 nan 8.370 nan 0.000 0.458 141 T N 0.808 115.437 114.554 0.126 0.000 2.824 141 T HA 0.545 4.895 4.350 -0.000 0.000 0.280 141 T C 0.152 174.873 174.700 0.036 0.000 0.995 141 T CA -0.499 61.644 62.100 0.071 0.000 1.009 141 T CB 0.575 69.455 68.868 0.020 0.000 0.955 141 T HN 0.122 nan 8.240 nan 0.000 0.452 142 I N 3.915 124.489 120.570 0.007 0.000 2.355 142 I HA 0.432 4.602 4.170 -0.000 0.000 0.288 142 I C -0.421 175.672 176.117 -0.040 0.000 0.999 142 I CA -0.640 60.640 61.300 -0.034 0.000 1.163 142 I CB 1.156 39.112 38.000 -0.074 0.000 1.316 142 I HN 0.433 nan 8.210 nan 0.000 0.454 143 I N 5.809 126.335 120.570 -0.074 0.000 2.354 143 I HA 0.352 4.522 4.170 -0.000 0.000 0.292 143 I C -0.293 175.763 176.117 -0.102 0.000 0.989 143 I CA -0.386 60.861 61.300 -0.088 0.000 1.188 143 I CB 1.685 39.605 38.000 -0.133 0.000 1.342 143 I HN 0.505 nan 8.210 nan 0.000 0.457 144 E N 9.034 129.198 120.200 -0.060 0.000 2.260 144 E HA 0.423 4.773 4.350 -0.000 0.000 0.266 144 E C -2.682 173.910 176.600 -0.013 0.000 0.887 144 E CA -2.125 54.250 56.400 -0.041 0.000 0.777 144 E CB 2.223 31.914 29.700 -0.016 0.000 1.205 144 E HN 0.132 nan 8.360 nan 0.000 0.414 145 P HA 0.246 nan 4.420 nan 0.000 0.283 145 P C -0.959 176.337 177.300 -0.006 0.000 1.412 145 P CA -0.280 62.781 63.100 -0.064 0.000 0.912 145 P CB 0.881 32.506 31.700 -0.124 0.000 1.132 146 T N 1.009 115.619 114.554 0.092 0.000 3.033 146 T HA 0.239 4.589 4.350 -0.000 0.000 0.362 146 T C 0.161 174.977 174.700 0.193 0.000 1.723 146 T CA -0.317 61.898 62.100 0.191 0.000 1.110 146 T CB 0.388 69.354 68.868 0.163 0.000 1.515 146 T HN 0.142 nan 8.240 nan 0.000 0.484 147 S N 1.479 117.316 115.700 0.227 0.000 2.574 147 S HA 0.544 5.014 4.470 -0.000 0.000 0.242 147 S C 0.847 175.533 174.600 0.144 0.000 0.982 147 S CA 0.040 58.343 58.200 0.171 0.000 0.977 147 S CB 0.384 63.689 63.200 0.175 0.000 0.814 147 S HN 0.965 nan 8.310 nan 0.000 0.464 148 G N 1.177 110.061 108.800 0.141 0.000 2.887 148 G HA2 0.368 4.328 3.960 -0.000 0.000 0.277 148 G HA3 0.368 4.328 3.960 -0.000 0.000 0.277 148 G C 0.377 175.321 174.900 0.074 0.000 1.346 148 G CA -0.806 44.365 45.100 0.118 0.000 1.058 148 G HN 0.197 nan 8.290 nan 0.000 0.535 149 N N -0.456 118.283 118.700 0.065 0.000 2.453 149 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 149 N C 2.118 177.648 175.510 0.033 0.000 1.041 149 N CA 1.154 54.230 53.050 0.044 0.000 0.900 149 N CB -0.023 38.497 38.487 0.055 0.000 0.961 149 N HN 0.382 nan 8.380 nan 0.000 0.443 150 T N -0.180 114.391 114.554 0.029 0.000 2.915 150 T HA -0.038 4.312 4.350 -0.000 0.000 0.269 150 T C 1.894 176.603 174.700 0.015 0.000 1.071 150 T CA 1.164 63.269 62.100 0.009 0.000 1.132 150 T CB -0.308 68.551 68.868 -0.015 0.000 0.878 150 T HN 0.359 nan 8.240 nan 0.000 0.479 151 G N 1.357 110.175 108.800 0.031 0.000 2.404 151 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.215 151 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.215 151 G C 1.488 176.402 174.900 0.023 0.000 1.174 151 G CA 0.376 45.494 45.100 0.031 0.000 0.780 151 G HN 0.486 nan 8.290 nan 0.000 0.537 152 I N 1.277 121.859 120.570 0.021 0.000 2.252 152 I HA -0.053 4.117 4.170 -0.000 0.000 0.245 152 I C 3.074 179.200 176.117 0.016 0.000 1.102 152 I CA 0.904 62.213 61.300 0.015 0.000 1.385 152 I CB -0.448 37.556 38.000 0.007 0.000 1.064 152 I HN 0.238 nan 8.210 nan 0.000 0.414 153 G N 1.263 110.073 108.800 0.017 0.000 2.446 153 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 153 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 153 G C 1.710 176.619 174.900 0.015 0.000 1.168 153 G CA 0.606 45.715 45.100 0.015 0.000 0.771 153 G HN 0.257 nan 8.290 nan 0.000 0.551 154 L N 0.701 121.930 121.223 0.011 0.000 2.046 154 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 154 L C 3.431 180.318 176.870 0.029 0.000 1.077 154 L CA 0.959 55.807 54.840 0.012 0.000 0.747 154 L CB -0.436 41.622 42.059 -0.002 0.000 0.896 154 L HN 0.304 nan 8.230 nan 0.000 0.432 155 A N 0.215 123.051 122.820 0.026 0.000 1.865 155 A HA -0.250 4.069 4.320 -0.000 0.000 0.217 155 A C 2.207 179.812 177.584 0.034 0.000 1.191 155 A CA 1.963 54.018 52.037 0.031 0.000 0.623 155 A CB -0.817 18.197 19.000 0.023 0.000 0.826 155 A HN 0.322 nan 8.150 nan 0.000 0.444 156 L N -0.026 121.214 121.223 0.027 0.000 1.970 156 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 156 L C 2.630 179.520 176.870 0.033 0.000 1.071 156 L CA 2.662 57.517 54.840 0.025 0.000 0.751 156 L CB -1.170 40.901 42.059 0.021 0.000 0.889 156 L HN 0.348 nan 8.230 nan 0.000 0.432 157 A N -0.634 122.211 122.820 0.041 0.000 1.972 157 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 157 A C 2.423 180.066 177.584 0.099 0.000 1.169 157 A CA 1.878 53.950 52.037 0.059 0.000 0.635 157 A CB -1.138 17.897 19.000 0.058 0.000 0.810 157 A HN 0.669 nan 8.150 nan 0.000 0.446 158 A N -0.029 122.858 122.820 0.111 0.000 1.855 158 A HA 0.181 4.501 4.320 -0.000 0.000 0.215 158 A C 2.521 180.151 177.584 0.076 0.000 1.191 158 A CA 1.995 54.132 52.037 0.166 0.000 0.613 158 A CB -1.099 17.984 19.000 0.138 0.000 0.829 158 A HN 1.082 nan 8.150 nan 0.000 0.442 159 A N -0.585 122.260 122.820 0.043 0.000 1.978 159 A HA 0.004 4.324 4.320 -0.000 0.000 0.220 159 A C 2.199 179.776 177.584 -0.012 0.000 1.170 159 A CA 1.883 53.927 52.037 0.012 0.000 0.636 159 A CB -0.807 18.200 19.000 0.012 0.000 0.810 159 A HN 0.408 nan 8.150 nan 0.000 0.448 160 V N 0.088 119.999 119.914 -0.005 0.000 2.323 160 V HA -0.151 3.969 4.120 -0.000 0.000 0.244 160 V C 2.434 178.492 176.094 -0.060 0.000 1.041 160 V CA 1.747 64.034 62.300 -0.021 0.000 1.025 160 V CB -0.722 31.098 31.823 -0.004 0.000 0.656 160 V HN 0.471 nan 8.190 nan 0.000 0.451 161 R N 0.447 120.898 120.500 -0.082 0.000 2.275 161 R HA 0.186 4.526 4.340 -0.000 0.000 0.199 161 R C 1.555 177.603 176.300 -0.421 0.000 0.989 161 R CA 0.842 56.812 56.100 -0.216 0.000 1.016 161 R CB -0.418 29.776 30.300 -0.177 0.000 0.918 161 R HN 0.630 nan 8.270 nan 0.000 0.473 162 G N 0.883 109.502 108.800 -0.301 0.000 2.203 162 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.231 162 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.231 162 G C -0.492 174.215 174.900 -0.323 0.000 1.058 162 G CA -0.295 44.637 45.100 -0.280 0.000 0.781 162 G HN 0.334 nan 8.290 nan 0.000 0.496 163 Y N -0.709 119.591 120.300 0.001 0.000 2.420 163 Y HA 0.643 5.193 4.550 -0.000 0.000 0.334 163 Y C 0.937 176.840 175.900 0.005 0.000 1.094 163 Y CA -1.161 56.942 58.100 0.005 0.000 1.126 163 Y CB 1.176 39.638 38.460 0.003 0.000 1.217 163 Y HN 0.201 nan 8.280 nan 0.000 0.462 164 R N 1.639 122.253 120.500 0.191 0.000 2.441 164 R HA 0.484 4.824 4.340 -0.000 0.000 0.284 164 R C -1.455 174.899 176.300 0.089 0.000 1.070 164 R CA -0.196 55.964 56.100 0.101 0.000 1.047 164 R CB 0.718 31.060 30.300 0.070 0.000 1.016 164 R HN 0.792 nan 8.270 nan 0.000 0.477 165 C N 6.504 125.839 119.300 0.059 0.000 2.441 165 C HA 0.604 5.064 4.460 -0.000 0.000 0.318 165 C C -0.734 174.270 174.990 0.022 0.000 1.222 165 C CA -0.632 58.410 59.018 0.039 0.000 1.474 165 C CB 0.298 28.064 27.740 0.044 0.000 2.125 165 C HN 0.838 nan 8.230 nan 0.000 0.479 166 I N 6.923 127.499 120.570 0.009 0.000 2.439 166 I HA 0.395 4.565 4.170 -0.000 0.000 0.283 166 I C -0.754 175.366 176.117 0.004 0.000 1.023 166 I CA -0.313 60.990 61.300 0.006 0.000 1.100 166 I CB 1.333 39.331 38.000 -0.004 0.000 1.238 166 I HN 0.421 nan 8.210 nan 0.000 0.445 167 I N 7.015 127.596 120.570 0.018 0.000 2.428 167 I HA 0.353 4.523 4.170 -0.000 0.000 0.296 167 I C -0.163 175.980 176.117 0.043 0.000 0.985 167 I CA -0.527 60.790 61.300 0.029 0.000 1.260 167 I CB 1.841 39.865 38.000 0.039 0.000 1.389 167 I HN 0.137 nan 8.210 nan 0.000 0.484 168 V N 7.264 127.210 119.914 0.054 0.000 2.407 168 V HA 0.619 4.738 4.120 -0.000 0.000 0.291 168 V C -0.077 176.120 176.094 0.171 0.000 1.018 168 V CA -0.565 61.787 62.300 0.086 0.000 0.842 168 V CB 1.157 33.016 31.823 0.060 0.000 0.996 168 V HN 0.781 nan 8.190 nan 0.000 0.426 169 M N 4.622 124.342 119.600 0.199 0.000 2.667 169 M HA 0.791 5.271 4.480 -0.000 0.000 0.286 169 M C -3.025 173.369 176.300 0.157 0.000 1.270 169 M CA -2.098 53.362 55.300 0.267 0.000 0.826 169 M CB 2.221 34.923 32.600 0.171 0.000 1.743 169 M HN 0.186 nan 8.290 nan 0.000 0.460 170 P HA -0.043 nan 4.420 nan 0.000 0.282 170 P C -0.254 177.057 177.300 0.018 0.000 1.273 170 P CA 0.181 63.265 63.100 -0.026 0.000 0.809 170 P CB 0.204 31.855 31.700 -0.081 0.000 1.246 171 E N -1.130 119.074 120.200 0.006 0.000 2.474 171 E HA 0.033 4.383 4.350 -0.000 0.000 0.195 171 E C 0.386 177.000 176.600 0.022 0.000 1.039 171 E CA 0.273 56.683 56.400 0.017 0.000 0.881 171 E CB -0.014 29.692 29.700 0.010 0.000 0.970 171 E HN 0.134 nan 8.360 nan 0.000 0.486 172 K N 0.219 120.633 120.400 0.025 0.000 3.215 172 K HA 0.313 4.633 4.320 -0.000 0.000 0.171 172 K C -0.016 176.611 176.600 0.045 0.000 1.127 172 K CA -0.265 56.043 56.287 0.036 0.000 1.421 172 K CB -0.068 32.456 32.500 0.041 0.000 1.962 172 K HN -0.089 nan 8.250 nan 0.000 0.478 173 M N 0.827 120.461 119.600 0.057 0.000 4.047 173 M HA -0.160 4.320 4.480 -0.000 0.000 0.157 173 M C -0.857 175.472 176.300 0.048 0.000 1.532 173 M CA 0.098 55.434 55.300 0.061 0.000 1.097 173 M CB -1.493 31.142 32.600 0.060 0.000 1.346 173 M HN 0.445 nan 8.290 nan 0.000 0.190 174 S N 2.899 118.625 115.700 0.044 0.000 2.558 174 S HA 0.122 4.592 4.470 -0.000 0.000 0.287 174 S C 1.276 175.875 174.600 -0.002 0.000 1.321 174 S CA -0.015 58.195 58.200 0.017 0.000 1.048 174 S CB 0.624 63.818 63.200 -0.011 0.000 0.844 174 S HN 0.722 nan 8.310 nan 0.000 0.512 175 S N 1.500 117.193 115.700 -0.010 0.000 2.414 175 S HA -0.072 4.397 4.470 -0.000 0.000 0.227 175 S C 1.785 176.364 174.600 -0.035 0.000 1.022 175 S CA 0.686 58.877 58.200 -0.015 0.000 0.958 175 S CB -0.272 62.920 63.200 -0.012 0.000 0.797 175 S HN 0.667 nan 8.310 nan 0.000 0.493 176 E N 1.697 121.861 120.200 -0.061 0.000 2.097 176 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 176 E C 1.949 178.501 176.600 -0.080 0.000 1.000 176 E CA 1.368 57.714 56.400 -0.090 0.000 0.804 176 E CB -0.077 29.534 29.700 -0.149 0.000 0.740 176 E HN 0.448 nan 8.360 nan 0.000 0.454 177 K N -0.657 119.701 120.400 -0.069 0.000 2.098 177 K HA 0.040 4.360 4.320 -0.000 0.000 0.203 177 K C 2.098 178.687 176.600 -0.018 0.000 1.051 177 K CA 0.783 57.042 56.287 -0.047 0.000 0.957 177 K CB 0.065 32.544 32.500 -0.035 0.000 0.738 177 K HN -0.037 nan 8.250 nan 0.000 0.447 178 V N 2.362 122.271 119.914 -0.008 0.000 2.358 178 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 178 V C 1.634 177.727 176.094 -0.002 0.000 1.047 178 V CA 1.847 64.149 62.300 0.003 0.000 1.035 178 V CB -0.343 31.485 31.823 0.010 0.000 0.658 178 V HN 0.299 nan 8.190 nan 0.000 0.452 179 D N -0.227 120.167 120.400 -0.010 0.000 2.219 179 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 179 D C 2.143 178.436 176.300 -0.012 0.000 0.970 179 D CA 1.038 55.032 54.000 -0.011 0.000 0.851 179 D CB 0.125 40.916 40.800 -0.015 0.000 0.943 179 D HN 0.334 nan 8.370 nan 0.000 0.488 180 V N 1.229 121.133 119.914 -0.018 0.000 2.379 180 V HA -0.173 3.946 4.120 -0.000 0.000 0.245 180 V C 2.643 178.733 176.094 -0.006 0.000 1.044 180 V CA 0.896 63.187 62.300 -0.016 0.000 1.036 180 V CB -0.292 31.515 31.823 -0.027 0.000 0.664 180 V HN 0.168 nan 8.190 nan 0.000 0.453 181 L N -0.429 120.793 121.223 -0.002 0.000 1.994 181 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 181 L C 2.801 179.676 176.870 0.008 0.000 1.071 181 L CA 1.806 56.650 54.840 0.007 0.000 0.745 181 L CB -0.566 41.501 42.059 0.013 0.000 0.892 181 L HN 0.235 nan 8.230 nan 0.000 0.431 182 R N -0.241 120.263 120.500 0.007 0.000 2.127 182 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 182 R C 2.294 178.597 176.300 0.005 0.000 1.134 182 R CA 1.215 57.319 56.100 0.007 0.000 0.975 182 R CB -0.457 29.846 30.300 0.006 0.000 0.865 182 R HN 0.368 nan 8.270 nan 0.000 0.447 183 A N 0.962 123.784 122.820 0.002 0.000 1.968 183 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 183 A C 1.957 179.543 177.584 0.003 0.000 1.169 183 A CA 0.835 52.872 52.037 0.001 0.000 0.638 183 A CB -0.206 18.792 19.000 -0.003 0.000 0.812 183 A HN 0.178 nan 8.150 nan 0.000 0.446 184 L N -1.048 120.178 121.223 0.006 0.000 2.599 184 L HA 0.164 4.504 4.340 -0.000 0.000 0.230 184 L C 1.634 178.511 176.870 0.012 0.000 1.141 184 L CA 0.562 55.408 54.840 0.009 0.000 0.877 184 L CB -0.161 41.905 42.059 0.012 0.000 1.009 184 L HN 0.574 nan 8.230 nan 0.000 0.447 185 G N -0.076 108.731 108.800 0.011 0.000 2.141 185 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 185 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 185 G C 0.348 175.258 174.900 0.017 0.000 0.982 185 G CA -0.013 45.095 45.100 0.012 0.000 0.662 185 G HN 0.485 nan 8.290 nan 0.000 0.527 186 A N 0.188 123.019 122.820 0.018 0.000 2.409 186 A HA 0.603 4.923 4.320 -0.000 0.000 0.262 186 A C 0.480 178.075 177.584 0.019 0.000 1.113 186 A CA -0.016 52.033 52.037 0.021 0.000 0.790 186 A CB 0.315 19.328 19.000 0.022 0.000 1.046 186 A HN 0.492 nan 8.150 nan 0.000 0.496 187 E N 1.743 121.954 120.200 0.019 0.000 2.259 187 E HA 0.331 4.681 4.350 -0.000 0.000 0.281 187 E C -0.771 175.842 176.600 0.021 0.000 1.037 187 E CA 0.159 56.569 56.400 0.018 0.000 0.854 187 E CB 0.929 30.638 29.700 0.016 0.000 1.051 187 E HN 0.568 nan 8.360 nan 0.000 0.409 188 I N 2.784 123.368 120.570 0.022 0.000 2.412 188 I HA 0.265 4.435 4.170 -0.000 0.000 0.296 188 I C -0.479 175.657 176.117 0.031 0.000 0.987 188 I CA -0.984 60.333 61.300 0.029 0.000 1.180 188 I CB 1.672 39.690 38.000 0.030 0.000 1.340 188 I HN 0.184 nan 8.210 nan 0.000 0.455 189 V N 6.433 126.371 119.914 0.040 0.000 2.407 189 V HA 0.431 4.551 4.120 -0.000 0.000 0.291 189 V C -0.105 176.022 176.094 0.056 0.000 1.018 189 V CA -0.795 61.530 62.300 0.042 0.000 0.842 189 V CB 1.660 33.507 31.823 0.040 0.000 0.996 189 V HN 0.604 nan 8.190 nan 0.000 0.426 190 R N 2.776 123.304 120.500 0.047 0.000 2.312 190 R HA 0.568 4.908 4.340 -0.000 0.000 0.311 190 R C 0.140 176.468 176.300 0.047 0.000 1.004 190 R CA -0.316 55.813 56.100 0.048 0.000 0.902 190 R CB 1.770 32.091 30.300 0.035 0.000 1.073 190 R HN 0.843 nan 8.270 nan 0.000 0.457 191 T N -0.455 114.131 114.554 0.053 0.000 2.888 191 T HA 0.397 4.747 4.350 -0.000 0.000 0.284 191 T C -1.540 173.172 174.700 0.019 0.000 1.017 191 T CA -1.776 60.351 62.100 0.045 0.000 1.022 191 T CB 2.187 71.099 68.868 0.074 0.000 1.013 191 T HN 0.214 nan 8.240 nan 0.000 0.465 192 P HA 0.029 nan 4.420 nan 0.000 0.199 192 P C 1.224 178.517 177.300 -0.012 0.000 1.118 192 P CA 2.069 65.169 63.100 0.001 0.000 0.913 192 P CB -1.142 30.558 31.700 0.000 0.000 0.738 202 S N -1.182 114.551 115.700 0.056 0.000 2.431 202 S HA 0.001 4.471 4.470 -0.000 0.000 0.210 202 S C 1.938 176.631 174.600 0.155 0.000 1.013 202 S CA 1.694 59.927 58.200 0.056 0.000 0.920 202 S CB -0.988 62.219 63.200 0.013 0.000 0.882 202 S HN 1.191 nan 8.310 nan 0.000 0.567 203 H N 0.493 119.580 119.070 0.029 0.000 2.462 203 H HA 0.222 4.778 4.556 -0.000 0.000 0.292 203 H C 1.819 177.204 175.328 0.095 0.000 1.049 203 H CA 0.836 56.919 56.048 0.060 0.000 1.334 203 H CB -0.346 29.462 29.762 0.078 0.000 1.404 203 H HN 0.261 nan 8.280 nan 0.000 0.544 204 V N 1.471 121.453 119.914 0.114 0.000 2.427 204 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 204 V C 2.820 178.995 176.094 0.135 0.000 1.051 204 V CA 1.697 64.043 62.300 0.078 0.000 1.048 204 V CB -0.797 31.100 31.823 0.124 0.000 0.666 204 V HN 0.751 nan 8.190 nan 0.000 0.456 205 G N 0.013 108.811 108.800 -0.003 0.000 2.408 205 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 205 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 205 G C 1.618 176.567 174.900 0.082 0.000 1.150 205 G CA 1.178 46.257 45.100 -0.036 0.000 0.776 205 G HN 0.402 nan 8.290 nan 0.000 0.542 206 V N 1.473 121.435 119.914 0.081 0.000 2.515 206 V HA -0.069 4.051 4.120 -0.000 0.000 0.250 206 V C 3.253 179.393 176.094 0.077 0.000 1.058 206 V CA 1.721 64.066 62.300 0.074 0.000 1.064 206 V CB -0.750 31.116 31.823 0.071 0.000 0.675 206 V HN 0.472 nan 8.190 nan 0.000 0.461 207 A N -0.390 122.485 122.820 0.092 0.000 1.851 207 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 207 A C 2.118 179.701 177.584 -0.002 0.000 1.195 207 A CA 1.863 53.914 52.037 0.023 0.000 0.622 207 A CB -0.860 18.151 19.000 0.018 0.000 0.831 207 A HN 0.643 nan 8.150 nan 0.000 0.444 208 W N 0.145 121.459 121.300 0.023 0.000 2.392 208 W HA -0.103 4.557 4.660 -0.000 0.000 0.279 208 W C 2.568 179.096 176.519 0.016 0.000 1.225 208 W CA 1.614 58.983 57.345 0.039 0.000 1.233 208 W CB -0.257 29.249 29.460 0.077 0.000 1.122 208 W HN 0.472 nan 8.180 nan 0.000 0.561 209 R N 0.587 121.195 120.500 0.179 0.000 2.062 209 R HA -0.161 4.179 4.340 -0.000 0.000 0.231 209 R C 2.341 178.669 176.300 0.046 0.000 1.136 209 R CA 1.355 57.515 56.100 0.100 0.000 0.948 209 R CB -0.794 29.546 30.300 0.067 0.000 0.845 209 R HN 0.164 nan 8.270 nan 0.000 0.430 210 L N 1.127 122.360 121.223 0.017 0.000 2.083 210 L HA -0.173 4.166 4.340 -0.000 0.000 0.209 210 L C 2.763 179.604 176.870 -0.049 0.000 1.083 210 L CA 1.516 56.347 54.840 -0.015 0.000 0.752 210 L CB -0.455 41.591 42.059 -0.023 0.000 0.899 210 L HN 0.259 nan 8.230 nan 0.000 0.433 211 K N 0.286 120.632 120.400 -0.089 0.000 2.103 211 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 211 K C 1.716 178.266 176.600 -0.083 0.000 1.048 211 K CA 1.526 57.728 56.287 -0.143 0.000 0.930 211 K CB 0.028 32.365 32.500 -0.271 0.000 0.716 211 K HN 0.362 nan 8.250 nan 0.000 0.444 212 N N 0.782 119.469 118.700 -0.021 0.000 2.446 212 N HA -0.077 4.663 4.740 -0.000 0.000 0.179 212 N C 0.820 176.326 175.510 -0.005 0.000 1.054 212 N CA 0.849 53.902 53.050 0.005 0.000 0.905 212 N CB 0.271 38.788 38.487 0.050 0.000 0.973 212 N HN 0.408 nan 8.380 nan 0.000 0.448 213 E N 0.123 120.317 120.200 -0.010 0.000 2.400 213 E HA 0.183 4.533 4.350 -0.000 0.000 0.195 213 E C 0.100 176.689 176.600 -0.020 0.000 1.012 213 E CA 0.245 56.640 56.400 -0.009 0.000 0.875 213 E CB 0.754 30.453 29.700 -0.001 0.000 0.859 213 E HN 0.270 nan 8.360 nan 0.000 0.498 214 I N 2.522 123.070 120.570 -0.037 0.000 2.382 214 I HA 0.259 4.429 4.170 -0.000 0.000 0.286 214 I C -2.482 173.599 176.117 -0.061 0.000 1.002 214 I CA -2.718 58.557 61.300 -0.042 0.000 1.135 214 I CB 1.447 39.420 38.000 -0.044 0.000 1.288 214 I HN -0.296 nan 8.210 nan 0.000 0.448 215 P HA 0.060 nan 4.420 nan 0.000 0.267 215 P C -0.282 176.975 177.300 -0.071 0.000 1.200 215 P CA 0.116 63.185 63.100 -0.051 0.000 0.772 215 P CB 0.265 31.950 31.700 -0.025 0.000 0.855 216 N N -1.225 117.413 118.700 -0.103 0.000 2.754 216 N HA -0.139 4.601 4.740 -0.000 0.000 0.248 216 N C -0.704 174.656 175.510 -0.250 0.000 1.093 216 N CA 0.948 53.923 53.050 -0.124 0.000 0.699 216 N CB -1.719 36.769 38.487 0.002 0.000 1.016 216 N HN 0.284 nan 8.380 nan 0.000 0.552 217 S N 0.115 115.588 115.700 -0.378 0.000 2.565 217 S HA 0.510 4.979 4.470 -0.000 0.000 0.290 217 S C -0.289 173.907 174.600 -0.674 0.000 1.150 217 S CA -0.461 57.520 58.200 -0.366 0.000 1.058 217 S CB 1.555 64.622 63.200 -0.220 0.000 1.032 217 S HN 0.219 nan 8.310 nan 0.000 0.510 218 H N 1.342 120.331 119.070 -0.135 0.000 2.947 218 H HA 0.376 4.932 4.556 -0.000 0.000 0.354 218 H C -1.114 174.090 175.328 -0.205 0.000 1.085 218 H CA -0.442 55.511 56.048 -0.159 0.000 1.253 218 H CB 1.115 30.789 29.762 -0.147 0.000 1.757 218 H HN 0.405 nan 8.280 nan 0.000 0.523 219 I N 4.216 124.688 120.570 -0.162 0.000 2.330 219 I HA 0.045 4.215 4.170 -0.000 0.000 0.286 219 I C 1.507 177.541 176.117 -0.138 0.000 1.025 219 I CA -0.229 60.913 61.300 -0.263 0.000 1.197 219 I CB 1.206 38.820 38.000 -0.643 0.000 1.358 219 I HN 0.452 nan 8.210 nan 0.000 0.467 220 L N 3.915 125.085 121.223 -0.088 0.000 1.989 220 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 220 L C 0.497 177.357 176.870 -0.017 0.000 1.071 220 L CA 1.041 55.847 54.840 -0.057 0.000 0.749 220 L CB -0.258 41.759 42.059 -0.071 0.000 0.890 220 L HN 0.733 nan 8.230 nan 0.000 0.431 221 D N -0.156 120.245 120.400 0.002 0.000 4.520 221 D HA -0.175 4.465 4.640 -0.000 0.000 0.245 221 D C 1.075 177.400 176.300 0.041 0.000 1.068 221 D CA 0.775 54.826 54.000 0.086 0.000 1.211 221 D CB -0.126 40.785 40.800 0.185 0.000 0.818 221 D HN 0.595 nan 8.370 nan 0.000 0.392 222 Q N 1.534 121.312 119.800 -0.036 0.000 2.291 222 Q HA -0.197 4.143 4.340 -0.000 0.000 0.206 222 Q C 1.254 177.118 176.000 -0.227 0.000 0.976 222 Q CA 1.139 56.841 55.803 -0.170 0.000 0.875 222 Q CB -0.261 28.301 28.738 -0.293 0.000 0.927 222 Q HN 0.703 nan 8.270 nan 0.000 0.450 223 Y N 0.718 121.020 120.300 0.004 0.000 2.457 223 Y HA 0.098 4.648 4.550 -0.000 0.000 0.292 223 Y C 1.909 177.799 175.900 -0.017 0.000 1.125 223 Y CA 0.763 58.848 58.100 -0.025 0.000 1.254 223 Y CB 0.385 38.834 38.460 -0.017 0.000 1.012 223 Y HN 0.058 nan 8.280 nan 0.000 0.555 224 R N -1.424 119.147 120.500 0.117 0.000 2.453 224 R HA 0.086 4.426 4.340 -0.000 0.000 0.233 224 R C 0.108 176.423 176.300 0.025 0.000 0.895 224 R CA -0.130 56.007 56.100 0.062 0.000 1.028 224 R CB 0.204 30.538 30.300 0.057 0.000 1.255 224 R HN -0.018 nan 8.270 nan 0.000 0.571 225 N N 1.824 120.531 118.700 0.013 0.000 2.416 225 N HA 0.034 4.774 4.740 -0.000 0.000 0.265 225 N C 0.763 176.244 175.510 -0.049 0.000 1.195 225 N CA 0.141 53.182 53.050 -0.015 0.000 0.943 225 N CB 1.485 39.959 38.487 -0.023 0.000 1.115 225 N HN 0.156 nan 8.380 nan 0.000 0.481 226 A N 3.316 126.099 122.820 -0.062 0.000 2.032 226 A HA -0.176 4.144 4.320 -0.000 0.000 0.221 226 A C 2.147 179.641 177.584 -0.151 0.000 1.165 226 A CA 1.737 53.696 52.037 -0.131 0.000 0.645 226 A CB -0.404 18.486 19.000 -0.183 0.000 0.807 226 A HN 0.717 nan 8.150 nan 0.000 0.453 227 S N 0.316 115.950 115.700 -0.111 0.000 2.419 227 S HA -0.208 4.262 4.470 -0.000 0.000 0.235 227 S C 1.946 176.477 174.600 -0.116 0.000 1.019 227 S CA 1.265 59.401 58.200 -0.108 0.000 0.982 227 S CB -0.470 62.681 63.200 -0.081 0.000 0.789 227 S HN 0.810 nan 8.310 nan 0.000 0.490 228 N N 2.280 120.920 118.700 -0.100 0.000 2.047 228 N HA -0.043 4.697 4.740 -0.000 0.000 0.193 228 N C -0.946 174.536 175.510 -0.047 0.000 1.055 228 N CA 1.524 54.524 53.050 -0.084 0.000 0.847 228 N CB -1.209 37.240 38.487 -0.064 0.000 1.038 228 N HN 0.207 nan 8.380 nan 0.000 0.427 229 P HA -0.095 nan 4.420 nan 0.000 0.220 229 P C 1.759 179.051 177.300 -0.014 0.000 1.148 229 P CA 0.965 64.071 63.100 0.010 0.000 0.803 229 P CB -0.010 31.645 31.700 -0.074 0.000 0.782 230 L N -0.437 120.734 121.223 -0.088 0.000 2.093 230 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 230 L C 2.841 179.706 176.870 -0.009 0.000 1.085 230 L CA 1.415 56.226 54.840 -0.048 0.000 0.755 230 L CB -1.152 40.821 42.059 -0.142 0.000 0.904 230 L HN -0.047 nan 8.230 nan 0.000 0.435 231 A N -0.430 122.313 122.820 -0.129 0.000 1.892 231 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 231 A C 2.099 179.562 177.584 -0.202 0.000 1.188 231 A CA 1.780 53.688 52.037 -0.216 0.000 0.631 231 A CB -0.844 17.928 19.000 -0.379 0.000 0.822 231 A HN 0.451 nan 8.150 nan 0.000 0.447 232 H N -3.006 116.066 119.070 0.002 0.000 2.457 232 H HA -0.099 4.457 4.556 -0.000 0.000 0.294 232 H C 1.891 177.237 175.328 0.030 0.000 1.064 232 H CA 1.700 57.748 56.048 -0.000 0.000 1.330 232 H CB -0.400 29.351 29.762 -0.017 0.000 1.395 232 H HN 0.749 nan 8.280 nan 0.000 0.541 233 Y N 1.792 122.103 120.300 0.018 0.000 2.337 233 Y HA -0.088 4.462 4.550 -0.000 0.000 0.293 233 Y C 1.515 177.404 175.900 -0.018 0.000 1.123 233 Y CA 1.025 59.112 58.100 -0.021 0.000 1.201 233 Y CB 0.259 38.688 38.460 -0.051 0.000 1.011 233 Y HN -0.025 nan 8.280 nan 0.000 0.545 234 D N -1.139 119.292 120.400 0.053 0.000 2.183 234 D HA -0.064 4.576 4.640 -0.000 0.000 0.205 234 D C 2.048 178.302 176.300 -0.077 0.000 0.962 234 D CA 1.964 55.944 54.000 -0.034 0.000 0.849 234 D CB -0.097 40.736 40.800 0.055 0.000 0.978 234 D HN 0.531 nan 8.370 nan 0.000 0.488 235 T N -2.943 111.579 114.554 -0.054 0.000 3.205 235 T HA 0.011 4.361 4.350 -0.000 0.000 0.238 235 T C 2.009 176.689 174.700 -0.032 0.000 0.974 235 T CA 0.877 62.947 62.100 -0.052 0.000 1.246 235 T CB -0.628 68.209 68.868 -0.052 0.000 1.007 235 T HN -0.131 nan 8.240 nan 0.000 0.414 236 T N 2.954 117.515 114.554 0.012 0.000 2.635 236 T HA -0.045 4.305 4.350 -0.000 0.000 0.267 236 T C 2.392 177.095 174.700 0.005 0.000 1.040 236 T CA 1.801 63.931 62.100 0.051 0.000 1.156 236 T CB -1.054 67.935 68.868 0.201 0.000 0.863 236 T HN 0.595 nan 8.240 nan 0.000 0.430 237 A N 1.963 124.779 122.820 -0.007 0.000 1.883 237 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 237 A C 2.197 179.734 177.584 -0.079 0.000 1.186 237 A CA 1.914 53.921 52.037 -0.050 0.000 0.624 237 A CB -0.813 18.140 19.000 -0.078 0.000 0.822 237 A HN 0.364 nan 8.150 nan 0.000 0.444 238 D N -0.408 119.930 120.400 -0.103 0.000 2.117 238 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 238 D C 2.020 178.278 176.300 -0.070 0.000 0.987 238 D CA 1.429 55.367 54.000 -0.103 0.000 0.829 238 D CB -0.353 40.376 40.800 -0.118 0.000 0.961 238 D HN 0.650 nan 8.370 nan 0.000 0.460 239 E N 0.225 120.392 120.200 -0.056 0.000 2.058 239 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 239 E C 2.401 178.974 176.600 -0.046 0.000 0.997 239 E CA 0.552 56.923 56.400 -0.048 0.000 0.801 239 E CB -0.084 29.592 29.700 -0.040 0.000 0.746 239 E HN 0.312 nan 8.360 nan 0.000 0.450 240 I N 1.104 121.649 120.570 -0.043 0.000 2.118 240 I HA -0.338 3.832 4.170 -0.000 0.000 0.241 240 I C 2.443 178.535 176.117 -0.043 0.000 1.070 240 I CA 1.259 62.534 61.300 -0.041 0.000 1.327 240 I CB -0.335 37.641 38.000 -0.040 0.000 1.034 240 I HN 0.133 nan 8.210 nan 0.000 0.405 241 L N -0.025 121.169 121.223 -0.048 0.000 2.046 241 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 241 L C 2.687 179.532 176.870 -0.042 0.000 1.077 241 L CA 1.404 56.217 54.840 -0.045 0.000 0.747 241 L CB -0.638 41.390 42.059 -0.053 0.000 0.896 241 L HN 0.293 nan 8.230 nan 0.000 0.432 242 Q N 0.486 120.259 119.800 -0.045 0.000 2.061 242 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 242 Q C 2.129 178.106 176.000 -0.038 0.000 0.984 242 Q CA 1.802 57.580 55.803 -0.041 0.000 0.846 242 Q CB -0.166 28.546 28.738 -0.044 0.000 0.902 242 Q HN 0.469 nan 8.270 nan 0.000 0.421 243 Q N -1.584 118.192 119.800 -0.040 0.000 2.364 243 Q HA -0.029 4.311 4.340 -0.000 0.000 0.207 243 Q C 1.399 177.379 176.000 -0.033 0.000 0.970 243 Q CA 1.034 56.813 55.803 -0.039 0.000 0.888 243 Q CB 0.209 28.921 28.738 -0.043 0.000 0.951 243 Q HN 0.424 nan 8.270 nan 0.000 0.469 244 C N 0.436 119.717 119.300 -0.032 0.000 3.038 244 C HA 0.099 4.559 4.460 -0.000 0.000 0.279 244 C C -0.057 174.918 174.990 -0.025 0.000 1.276 244 C CA -0.524 58.478 59.018 -0.027 0.000 1.697 244 C CB -0.188 27.535 27.740 -0.028 0.000 2.032 244 C HN 0.505 nan 8.230 nan 0.000 0.636 245 D N 0.298 120.682 120.400 -0.026 0.000 2.870 245 D HA -0.173 4.467 4.640 -0.000 0.000 0.228 245 D C 1.310 177.597 176.300 -0.023 0.000 1.147 245 D CA 1.430 55.416 54.000 -0.024 0.000 0.757 245 D CB -1.378 39.410 40.800 -0.020 0.000 1.091 245 D HN 0.770 nan 8.370 nan 0.000 0.429 246 G N -0.250 108.535 108.800 -0.025 0.000 2.184 246 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.264 246 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.264 246 G C 0.211 175.099 174.900 -0.019 0.000 0.975 246 G CA 0.855 45.941 45.100 -0.023 0.000 0.642 246 G HN 0.458 nan 8.290 nan 0.000 0.536 247 K N 0.087 120.475 120.400 -0.019 0.000 2.263 247 K HA 0.790 5.110 4.320 -0.000 0.000 0.272 247 K C -0.341 176.248 176.600 -0.018 0.000 1.033 247 K CA -0.466 55.812 56.287 -0.016 0.000 0.884 247 K CB 2.056 34.548 32.500 -0.014 0.000 1.107 247 K HN 0.291 nan 8.250 nan 0.000 0.460 248 L N 1.864 123.076 121.223 -0.017 0.000 2.612 248 L HA 0.306 4.646 4.340 -0.000 0.000 0.256 248 L C -1.069 175.790 176.870 -0.018 0.000 0.949 248 L CA -0.301 54.527 54.840 -0.020 0.000 0.867 248 L CB 2.224 44.268 42.059 -0.025 0.000 1.417 248 L HN 0.677 nan 8.230 nan 0.000 0.414 249 D N 3.709 124.097 120.400 -0.020 0.000 2.498 249 D HA 0.238 4.878 4.640 -0.000 0.000 0.223 249 D C -0.297 175.990 176.300 -0.022 0.000 1.125 249 D CA 0.314 54.304 54.000 -0.017 0.000 0.835 249 D CB 1.763 42.555 40.800 -0.013 0.000 1.086 249 D HN 0.385 nan 8.370 nan 0.000 0.510 250 M N 1.272 120.852 119.600 -0.032 0.000 2.426 250 M HA 0.320 4.800 4.480 -0.000 0.000 0.289 250 M C -2.488 173.777 176.300 -0.058 0.000 1.168 250 M CA -0.719 54.554 55.300 -0.044 0.000 0.933 250 M CB 2.800 35.371 32.600 -0.048 0.000 1.750 250 M HN -0.113 nan 8.290 nan 0.000 0.494 251 L N 4.715 125.895 121.223 -0.072 0.000 2.409 251 L HA 0.801 5.141 4.340 -0.000 0.000 0.272 251 L C -1.935 174.866 176.870 -0.115 0.000 0.980 251 L CA -0.399 54.388 54.840 -0.087 0.000 0.826 251 L CB 2.164 44.173 42.059 -0.082 0.000 1.268 251 L HN 0.515 nan 8.230 nan 0.000 0.407 252 V N 4.670 124.509 119.914 -0.126 0.000 2.409 252 V HA 0.940 5.060 4.120 -0.000 0.000 0.291 252 V C -0.092 175.914 176.094 -0.148 0.000 1.020 252 V CA -0.105 62.102 62.300 -0.156 0.000 0.848 252 V CB 1.190 32.904 31.823 -0.182 0.000 0.990 252 V HN 0.958 nan 8.190 nan 0.000 0.430 253 A N 3.549 126.271 122.820 -0.164 0.000 2.486 253 A HA 0.853 5.173 4.320 -0.000 0.000 0.300 253 A C -0.112 177.387 177.584 -0.141 0.000 1.048 253 A CA -0.485 51.464 52.037 -0.148 0.000 0.696 253 A CB 1.908 20.813 19.000 -0.158 0.000 1.278 253 A HN 0.962 nan 8.150 nan 0.000 0.405 254 S N 0.532 116.168 115.700 -0.107 0.000 2.601 254 S HA 0.660 5.130 4.470 -0.000 0.000 0.271 254 S C -0.164 174.414 174.600 -0.037 0.000 1.305 254 S CA -0.503 57.655 58.200 -0.070 0.000 1.022 254 S CB 1.153 64.309 63.200 -0.074 0.000 0.940 254 S HN 1.044 nan 8.310 nan 0.000 0.525 255 V N 2.259 122.196 119.914 0.039 0.000 2.495 255 V HA 0.715 4.835 4.120 -0.000 0.000 0.298 255 V C 0.938 177.102 176.094 0.117 0.000 1.031 255 V CA -0.110 62.243 62.300 0.089 0.000 0.871 255 V CB 1.078 33.034 31.823 0.222 0.000 0.988 255 V HN 1.137 nan 8.190 nan 0.000 0.432 256 G N 2.323 111.173 108.800 0.084 0.000 2.485 256 G HA2 0.070 4.030 3.960 -0.000 0.000 0.192 256 G HA3 0.070 4.030 3.960 -0.000 0.000 0.192 256 G C 1.245 176.181 174.900 0.061 0.000 1.368 256 G CA 0.945 46.106 45.100 0.101 0.000 0.685 256 G HN 0.679 nan 8.290 nan 0.000 0.608 257 T N -2.541 111.989 114.554 -0.041 0.000 3.009 257 T HA 0.379 4.729 4.350 -0.000 0.000 0.258 257 T C 1.941 176.639 174.700 -0.003 0.000 1.063 257 T CA 1.316 63.347 62.100 -0.115 0.000 1.139 257 T CB 0.259 68.934 68.868 -0.321 0.000 0.890 257 T HN 1.698 nan 8.240 nan 0.000 0.471 258 G N 0.223 109.025 108.800 0.003 0.000 2.179 258 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.220 258 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.220 258 G C 1.153 176.036 174.900 -0.028 0.000 0.990 258 G CA 0.134 45.246 45.100 0.021 0.000 0.646 258 G HN 0.871 nan 8.290 nan 0.000 0.517 259 G N 0.443 109.223 108.800 -0.034 0.000 2.545 259 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.217 259 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.217 259 G C 1.746 176.620 174.900 -0.043 0.000 1.218 259 G CA 2.596 47.707 45.100 0.018 0.000 0.787 259 G HN 0.767 nan 8.290 nan 0.000 0.571 260 T N 0.980 115.349 114.554 -0.309 0.000 2.580 260 T HA -0.193 4.157 4.350 -0.000 0.000 0.265 260 T C 2.290 176.804 174.700 -0.310 0.000 1.063 260 T CA 1.348 63.044 62.100 -0.674 0.000 1.170 260 T CB -0.286 68.233 68.868 -0.582 0.000 0.863 260 T HN 0.228 nan 8.240 nan 0.000 0.418 261 I N 0.537 120.982 120.570 -0.208 0.000 2.286 261 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 261 I C 2.316 178.354 176.117 -0.133 0.000 1.115 261 I CA 1.268 62.466 61.300 -0.170 0.000 1.392 261 I CB -0.183 37.703 38.000 -0.191 0.000 1.065 261 I HN 0.275 nan 8.210 nan 0.000 0.418 262 T N 0.161 114.649 114.554 -0.108 0.000 2.812 262 T HA -0.055 4.295 4.350 -0.000 0.000 0.264 262 T C 1.686 176.314 174.700 -0.121 0.000 1.042 262 T CA 1.221 63.252 62.100 -0.115 0.000 1.140 262 T CB -0.691 68.118 68.868 -0.099 0.000 0.870 262 T HN 0.584 nan 8.240 nan 0.000 0.445 263 G N 1.504 110.275 108.800 -0.049 0.000 2.433 263 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 263 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 263 G C 1.521 176.474 174.900 0.088 0.000 1.186 263 G CA 0.552 45.684 45.100 0.053 0.000 0.779 263 G HN 0.486 nan 8.290 nan 0.000 0.543 264 I N 1.434 122.016 120.570 0.020 0.000 2.315 264 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 264 I C 3.275 179.384 176.117 -0.013 0.000 1.117 264 I CA 0.878 62.176 61.300 -0.004 0.000 1.404 264 I CB -0.216 37.752 38.000 -0.053 0.000 1.071 264 I HN 0.242 nan 8.210 nan 0.000 0.419 265 A N 0.885 123.677 122.820 -0.047 0.000 1.902 265 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 265 A C 2.416 179.994 177.584 -0.010 0.000 1.181 265 A CA 1.426 53.436 52.037 -0.044 0.000 0.623 265 A CB -0.538 18.414 19.000 -0.080 0.000 0.818 265 A HN 0.299 nan 8.150 nan 0.000 0.443 266 R N -0.990 119.467 120.500 -0.072 0.000 2.115 266 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 266 R C 2.158 178.596 176.300 0.229 0.000 1.111 266 R CA 1.502 57.531 56.100 -0.118 0.000 0.976 266 R CB -0.101 29.807 30.300 -0.654 0.000 0.870 266 R HN 0.404 nan 8.270 nan 0.000 0.445 267 K N 0.469 121.017 120.400 0.248 0.000 2.167 267 K HA -0.038 4.282 4.320 -0.000 0.000 0.203 267 K C 1.623 178.248 176.600 0.041 0.000 1.052 267 K CA 0.903 57.245 56.287 0.093 0.000 0.956 267 K CB -0.054 32.325 32.500 -0.203 0.000 0.735 267 K HN -0.033 nan 8.250 nan 0.000 0.451 268 L N 1.253 122.500 121.223 0.039 0.000 2.072 268 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 268 L C 1.828 178.732 176.870 0.056 0.000 1.079 268 L CA 1.664 56.517 54.840 0.022 0.000 0.752 268 L CB -0.523 41.536 42.059 0.000 0.000 0.906 268 L HN 0.108 nan 8.230 nan 0.000 0.436 269 K N -0.451 120.008 120.400 0.098 0.000 2.280 269 K HA -0.165 4.155 4.320 -0.000 0.000 0.202 269 K C 1.776 178.458 176.600 0.137 0.000 1.047 269 K CA 1.075 57.436 56.287 0.123 0.000 0.942 269 K CB 0.059 32.668 32.500 0.182 0.000 0.739 269 K HN 0.500 nan 8.250 nan 0.000 0.457 270 E N 0.264 120.564 120.200 0.166 0.000 2.060 270 E HA -0.071 4.279 4.350 -0.000 0.000 0.189 270 E C 1.874 178.518 176.600 0.073 0.000 0.974 270 E CA 0.646 57.135 56.400 0.148 0.000 0.808 270 E CB 0.239 30.070 29.700 0.219 0.000 0.768 270 E HN 0.097 nan 8.360 nan 0.000 0.453 271 K N 0.308 120.735 120.400 0.045 0.000 2.099 271 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 271 K C 1.151 177.756 176.600 0.010 0.000 1.047 271 K CA 0.329 56.623 56.287 0.012 0.000 0.963 271 K CB -0.247 32.243 32.500 -0.017 0.000 0.759 271 K HN 0.085 nan 8.250 nan 0.000 0.451 272 C N 5.212 124.519 119.300 0.012 0.000 2.185 272 C HA 0.341 4.801 4.460 -0.000 0.000 0.357 272 C C -1.239 173.761 174.990 0.017 0.000 1.053 272 C CA -2.259 56.763 59.018 0.007 0.000 1.552 272 C CB -0.054 27.684 27.740 -0.003 0.000 1.679 272 C HN 0.232 nan 8.230 nan 0.000 0.453 273 P HA -0.092 nan 4.420 nan 0.000 0.215 273 P C 1.489 178.800 177.300 0.018 0.000 1.157 273 P CA 2.166 65.281 63.100 0.025 0.000 0.874 273 P CB -0.066 31.646 31.700 0.020 0.000 0.790 274 G N -0.819 107.987 108.800 0.011 0.000 2.807 274 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.207 274 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.207 274 G C 0.374 175.276 174.900 0.004 0.000 1.151 274 G CA -0.202 44.903 45.100 0.007 0.000 0.800 274 G HN 0.305 nan 8.290 nan 0.000 0.523 275 C N 1.068 120.370 119.300 0.003 0.000 2.482 275 C HA 0.430 4.890 4.460 -0.000 0.000 0.378 275 C C 0.828 175.814 174.990 -0.007 0.000 1.284 275 C CA -0.937 58.078 59.018 -0.005 0.000 1.826 275 C CB -0.391 27.344 27.740 -0.008 0.000 2.473 275 C HN 0.417 nan 8.230 nan 0.000 0.562 276 R N 3.555 124.047 120.500 -0.014 0.000 2.265 276 R HA 0.491 4.831 4.340 -0.000 0.000 0.314 276 R C -0.313 175.964 176.300 -0.040 0.000 1.053 276 R CA -0.184 55.906 56.100 -0.017 0.000 0.931 276 R CB 0.407 30.702 30.300 -0.008 0.000 1.024 276 R HN 0.533 nan 8.270 nan 0.000 0.457 277 I N 5.014 125.552 120.570 -0.053 0.000 2.331 277 I HA 0.287 4.457 4.170 -0.000 0.000 0.292 277 I C -0.118 175.917 176.117 -0.138 0.000 0.998 277 I CA -0.561 60.680 61.300 -0.099 0.000 1.267 277 I CB 1.142 39.077 38.000 -0.108 0.000 1.386 277 I HN 0.476 nan 8.210 nan 0.000 0.476 278 I N 5.265 125.736 120.570 -0.164 0.000 2.436 278 I HA 0.456 4.626 4.170 -0.000 0.000 0.289 278 I C 0.568 176.511 176.117 -0.291 0.000 1.010 278 I CA -0.429 60.770 61.300 -0.167 0.000 1.098 278 I CB 1.531 39.475 38.000 -0.094 0.000 1.266 278 I HN 0.551 nan 8.210 nan 0.000 0.434 279 G N 5.312 113.822 108.800 -0.484 0.000 2.379 279 G HA2 0.567 4.527 3.960 -0.000 0.000 0.327 279 G HA3 0.567 4.527 3.960 -0.000 0.000 0.327 279 G C -0.933 173.870 174.900 -0.161 0.000 1.145 279 G CA -0.349 44.356 45.100 -0.659 0.000 0.905 279 G HN 0.311 nan 8.290 nan 0.000 0.466 280 V N 2.643 122.534 119.914 -0.039 0.000 2.347 280 V HA 0.329 4.448 4.120 -0.000 0.000 0.280 280 V C -0.810 175.390 176.094 0.178 0.000 1.021 280 V CA -0.551 61.800 62.300 0.085 0.000 0.847 280 V CB 1.416 33.206 31.823 -0.054 0.000 0.990 280 V HN 0.779 nan 8.190 nan 0.000 0.444 281 D N 6.905 127.455 120.400 0.249 0.000 2.505 281 D HA 0.521 5.161 4.640 -0.000 0.000 0.249 281 D C -2.680 173.616 176.300 -0.006 0.000 1.082 281 D CA -1.785 52.313 54.000 0.163 0.000 0.839 281 D CB 3.066 43.978 40.800 0.186 0.000 1.317 281 D HN 0.260 nan 8.370 nan 0.000 0.497 282 P HA 0.157 nan 4.420 nan 0.000 0.279 282 P C -0.661 176.526 177.300 -0.188 0.000 1.239 282 P CA -0.369 62.548 63.100 -0.305 0.000 0.789 282 P CB 0.841 32.093 31.700 -0.747 0.000 0.933 283 E N 1.078 121.216 120.200 -0.104 0.000 2.480 283 E HA 0.259 4.609 4.350 -0.000 0.000 0.258 283 E C 1.098 177.783 176.600 0.141 0.000 0.984 283 E CA 0.840 57.247 56.400 0.012 0.000 0.930 283 E CB -0.304 29.413 29.700 0.029 0.000 0.936 283 E HN 0.831 nan 8.360 nan 0.000 0.466 284 G N 2.277 111.165 108.800 0.146 0.000 2.192 284 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.193 284 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.193 284 G C 0.172 175.208 174.900 0.227 0.000 0.999 284 G CA 0.060 45.290 45.100 0.216 0.000 0.659 284 G HN 0.532 nan 8.290 nan 0.000 0.503 285 S N -0.588 115.210 115.700 0.163 0.000 2.607 285 S HA 0.757 5.227 4.470 -0.000 0.000 0.303 285 S C 1.224 175.824 174.600 0.001 0.000 1.086 285 S CA -0.208 58.062 58.200 0.117 0.000 0.995 285 S CB 1.239 64.515 63.200 0.127 0.000 1.084 285 S HN 1.045 nan 8.310 nan 0.000 0.507 286 I N 1.458 122.011 120.570 -0.029 0.000 4.082 286 I HA 0.303 4.473 4.170 -0.000 0.000 0.337 286 I C 1.017 177.041 176.117 -0.156 0.000 1.352 286 I CA -0.036 61.209 61.300 -0.092 0.000 1.097 286 I CB -0.069 37.878 38.000 -0.088 0.000 1.048 286 I HN 0.471 nan 8.210 nan 0.000 0.393 287 L N 2.134 123.264 121.223 -0.155 0.000 2.012 287 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 287 L C 2.037 178.373 176.870 -0.891 0.000 1.073 287 L CA 1.023 55.679 54.840 -0.306 0.000 0.748 287 L CB -0.754 41.244 42.059 -0.101 0.000 0.891 287 L HN 0.420 nan 8.230 nan 0.000 0.431 288 A N 0.607 122.806 122.820 -1.035 0.000 2.492 288 A HA 0.134 4.453 4.320 -0.000 0.000 0.236 288 A C 0.066 177.015 177.584 -1.058 0.000 1.078 288 A CA 0.328 51.419 52.037 -1.576 0.000 0.773 288 A CB 0.077 18.733 19.000 -0.573 0.000 1.023 288 A HN 0.395 nan 8.150 nan 0.000 0.504 289 E N 0.838 120.396 120.200 -1.071 0.000 2.317 289 E HA 0.445 4.794 4.350 -0.000 0.000 0.270 289 E C -2.697 173.806 176.600 -0.162 0.000 0.885 289 E CA -1.830 54.324 56.400 -0.410 0.000 0.760 289 E CB 1.627 31.195 29.700 -0.219 0.000 1.227 289 E HN 0.457 nan 8.360 nan 0.000 0.434 290 P HA 0.023 nan 4.420 nan 0.000 0.286 290 P C 0.689 177.917 177.300 -0.121 0.000 1.293 290 P CA -0.362 62.683 63.100 -0.091 0.000 0.770 290 P CB 0.671 32.341 31.700 -0.050 0.000 1.206 291 E N 0.372 120.517 120.200 -0.092 0.000 2.049 291 E HA -0.236 4.113 4.350 -0.000 0.000 0.198 291 E C 1.663 178.215 176.600 -0.080 0.000 1.007 291 E CA 1.740 58.088 56.400 -0.088 0.000 0.809 291 E CB -0.542 29.122 29.700 -0.060 0.000 0.749 291 E HN 0.453 nan 8.360 nan 0.000 0.450 292 E N 0.993 121.155 120.200 -0.063 0.000 2.136 292 E HA -0.215 4.135 4.350 -0.000 0.000 0.208 292 E C 2.099 178.663 176.600 -0.060 0.000 1.035 292 E CA 0.878 57.246 56.400 -0.053 0.000 0.838 292 E CB -0.383 29.290 29.700 -0.046 0.000 0.748 292 E HN 0.144 nan 8.360 nan 0.000 0.459 293 L N 0.900 122.076 121.223 -0.078 0.000 2.151 293 L HA -0.210 4.129 4.340 -0.000 0.000 0.215 293 L C 1.094 177.920 176.870 -0.072 0.000 1.084 293 L CA 1.642 56.434 54.840 -0.081 0.000 0.764 293 L CB -1.063 40.930 42.059 -0.110 0.000 0.891 293 L HN 0.274 nan 8.230 nan 0.000 0.435 294 N N 0.200 118.850 118.700 -0.084 0.000 2.276 294 N HA 0.016 4.755 4.740 -0.000 0.000 0.212 294 N C 0.155 175.638 175.510 -0.045 0.000 1.127 294 N CA 0.066 53.075 53.050 -0.069 0.000 0.834 294 N CB 0.223 38.655 38.487 -0.092 0.000 1.014 294 N HN 0.510 nan 8.380 nan 0.000 0.491 295 Q N 0.924 120.702 119.800 -0.038 0.000 2.381 295 Q HA 0.219 4.559 4.340 -0.000 0.000 0.243 295 Q C -0.371 175.620 176.000 -0.015 0.000 1.154 295 Q CA 0.464 56.251 55.803 -0.027 0.000 0.899 295 Q CB 0.316 29.040 28.738 -0.025 0.000 1.396 295 Q HN 0.038 nan 8.270 nan 0.000 0.485 296 T N 0.264 114.811 114.554 -0.012 0.000 2.722 296 T HA 0.101 4.451 4.350 -0.000 0.000 0.314 296 T C 0.134 174.832 174.700 -0.004 0.000 1.675 296 T CA -0.757 61.342 62.100 -0.001 0.000 1.003 296 T CB 1.364 70.240 68.868 0.014 0.000 1.602 296 T HN 0.365 nan 8.240 nan 0.000 0.496 297 E N 0.121 120.322 120.200 0.001 0.000 2.431 297 E HA 0.070 4.420 4.350 -0.000 0.000 0.200 297 E C 0.098 176.699 176.600 0.002 0.000 0.995 297 E CA 0.190 56.587 56.400 -0.005 0.000 0.915 297 E CB 0.397 30.094 29.700 -0.006 0.000 0.930 297 E HN 0.413 nan 8.360 nan 0.000 0.496 298 Q N 0.513 120.326 119.800 0.022 0.000 2.262 298 Q HA -0.029 4.311 4.340 -0.000 0.000 0.298 298 Q C 0.619 176.638 176.000 0.031 0.000 1.083 298 Q CA 0.686 56.515 55.803 0.044 0.000 0.962 298 Q CB 0.981 29.773 28.738 0.090 0.000 1.104 298 Q HN -0.050 nan 8.270 nan 0.000 0.376 299 T N 0.643 115.193 114.554 -0.007 0.000 2.959 299 T HA 0.064 4.414 4.350 -0.000 0.000 0.254 299 T C 0.104 174.719 174.700 -0.141 0.000 1.003 299 T CA 0.590 62.659 62.100 -0.052 0.000 0.950 299 T CB 0.599 69.424 68.868 -0.072 0.000 1.090 299 T HN 0.743 nan 8.240 nan 0.000 0.503 300 T N 0.756 115.232 114.554 -0.130 0.000 2.887 300 T HA 0.762 5.112 4.350 -0.000 0.000 0.288 300 T C -1.195 173.429 174.700 -0.127 0.000 1.021 300 T CA -0.779 61.161 62.100 -0.266 0.000 1.000 300 T CB 1.892 70.681 68.868 -0.131 0.000 1.034 300 T HN 0.248 nan 8.240 nan 0.000 0.467 301 Y N -0.970 119.403 120.300 0.123 0.000 2.638 301 Y HA 0.679 5.229 4.550 -0.000 0.000 0.335 301 Y C 0.450 176.493 175.900 0.237 0.000 1.155 301 Y CA -1.466 56.733 58.100 0.165 0.000 1.046 301 Y CB 0.683 39.206 38.460 0.105 0.000 1.303 301 Y HN 0.450 nan 8.280 nan 0.000 0.460 302 E N 0.588 121.138 120.200 0.583 0.000 2.318 302 E HA 0.076 4.426 4.350 -0.000 0.000 0.193 302 E C 0.380 177.363 176.600 0.638 0.000 0.998 302 E CA 0.582 57.383 56.400 0.668 0.000 0.859 302 E CB 0.277 30.586 29.700 1.014 0.000 0.812 302 E HN 0.521 nan 8.360 nan 0.000 0.492 303 V N 1.171 121.331 119.914 0.411 0.000 2.529 303 V HA 0.111 4.231 4.120 -0.000 0.000 0.292 303 V C 0.259 176.539 176.094 0.310 0.000 1.028 303 V CA -0.406 61.997 62.300 0.172 0.000 1.074 303 V CB 0.204 31.896 31.823 -0.219 0.000 0.958 303 V HN -0.064 nan 8.190 nan 0.000 0.481 304 E N 3.387 123.776 120.200 0.316 0.000 2.277 304 E HA 0.599 4.949 4.350 -0.000 0.000 0.274 304 E C 1.098 177.857 176.600 0.264 0.000 1.022 304 E CA -0.146 56.458 56.400 0.340 0.000 0.853 304 E CB 1.436 31.380 29.700 0.406 0.000 1.086 304 E HN 1.179 nan 8.360 nan 0.000 0.397 305 G N 1.906 110.860 108.800 0.257 0.000 2.217 305 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.246 305 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.246 305 G C 0.245 175.247 174.900 0.170 0.000 0.990 305 G CA 0.410 45.629 45.100 0.198 0.000 0.627 305 G HN 0.572 nan 8.290 nan 0.000 0.522 306 I N -2.576 118.100 120.570 0.176 0.000 2.846 306 I HA 0.844 5.014 4.170 -0.000 0.000 0.307 306 I C 0.688 176.926 176.117 0.202 0.000 1.053 306 I CA -0.749 60.628 61.300 0.129 0.000 1.050 306 I CB 2.072 40.077 38.000 0.009 0.000 1.239 306 I HN 1.678 nan 8.210 nan 0.000 0.439 307 G N 1.522 110.446 108.800 0.206 0.000 2.781 307 G HA2 0.021 3.980 3.960 -0.000 0.000 0.683 307 G HA3 0.021 3.980 3.960 -0.000 0.000 0.683 307 G C -1.612 173.570 174.900 0.469 0.000 1.390 307 G CA -0.235 45.035 45.100 0.282 0.000 0.850 307 G HN 1.305 nan 8.290 nan 0.000 0.557 308 Y N -0.472 119.948 120.300 0.199 0.000 2.717 308 Y HA 0.414 4.964 4.550 -0.000 0.000 0.345 308 Y C -0.035 175.885 175.900 0.034 0.000 1.187 308 Y CA -0.128 58.063 58.100 0.153 0.000 1.128 308 Y CB 0.971 39.548 38.460 0.195 0.000 1.360 308 Y HN 0.770 nan 8.280 nan 0.000 0.467 309 D N 1.025 121.206 120.400 -0.366 0.000 2.358 309 D HA 0.267 4.907 4.640 -0.000 0.000 0.224 309 D C -0.722 175.120 176.300 -0.764 0.000 1.123 309 D CA 0.461 54.148 54.000 -0.522 0.000 0.833 309 D CB 0.002 40.400 40.800 -0.669 0.000 0.946 309 D HN 0.138 nan 8.370 nan 0.000 0.505 310 F N -0.081 119.844 119.950 -0.041 0.000 2.619 310 F HA 0.394 4.921 4.527 -0.000 0.000 0.308 310 F C -0.286 175.678 175.800 0.272 0.000 1.097 310 F CA -1.439 56.618 58.000 0.095 0.000 0.953 310 F CB 1.835 40.874 39.000 0.065 0.000 1.287 310 F HN -0.289 nan 8.300 nan 0.000 0.446 311 I N 4.304 125.087 120.570 0.356 0.000 2.329 311 I HA 0.198 4.368 4.170 -0.000 0.000 0.295 311 I C -2.261 173.994 176.117 0.230 0.000 1.109 311 I CA -1.662 59.783 61.300 0.243 0.000 1.297 311 I CB 0.251 38.337 38.000 0.143 0.000 1.433 311 I HN 0.154 nan 8.210 nan 0.000 0.509 312 P HA -0.079 nan 4.420 nan 0.000 0.266 312 P C 1.037 178.414 177.300 0.130 0.000 1.193 312 P CA 0.229 63.444 63.100 0.192 0.000 0.770 312 P CB 0.633 32.466 31.700 0.222 0.000 0.836 313 T N -0.209 114.403 114.554 0.096 0.000 3.023 313 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 313 T C 1.306 176.034 174.700 0.046 0.000 1.093 313 T CA 1.378 63.511 62.100 0.055 0.000 1.129 313 T CB -0.764 68.118 68.868 0.023 0.000 0.899 313 T HN 0.186 nan 8.240 nan 0.000 0.491 314 V N -0.142 119.800 119.914 0.047 0.000 3.217 314 V HA 0.358 4.478 4.120 -0.000 0.000 0.264 314 V C 0.999 177.097 176.094 0.007 0.000 1.135 314 V CA -0.016 62.289 62.300 0.009 0.000 1.142 314 V CB -1.232 30.585 31.823 -0.011 0.000 0.754 314 V HN 0.444 nan 8.190 nan 0.000 0.484 315 L N 2.312 123.564 121.223 0.047 0.000 2.290 315 L HA 0.601 4.941 4.340 -0.000 0.000 0.284 315 L C -0.495 176.415 176.870 0.067 0.000 1.078 315 L CA 0.081 54.960 54.840 0.064 0.000 0.815 315 L CB 0.877 43.010 42.059 0.125 0.000 1.162 315 L HN 0.244 nan 8.230 nan 0.000 0.435 316 D N 3.919 124.346 120.400 0.044 0.000 2.479 316 D HA 0.245 4.885 4.640 -0.000 0.000 0.247 316 D C 0.796 177.160 176.300 0.106 0.000 1.119 316 D CA -0.313 53.720 54.000 0.055 0.000 0.922 316 D CB 0.606 41.395 40.800 -0.019 0.000 1.014 316 D HN 0.624 nan 8.370 nan 0.000 0.510 317 R N 0.972 121.578 120.500 0.176 0.000 2.341 317 R HA -0.038 4.302 4.340 -0.000 0.000 0.213 317 R C 1.602 178.035 176.300 0.223 0.000 1.082 317 R CA 0.821 57.091 56.100 0.284 0.000 1.017 317 R CB 0.071 30.556 30.300 0.309 0.000 0.860 317 R HN 0.280 nan 8.270 nan 0.000 0.473 318 T N 0.231 114.882 114.554 0.161 0.000 2.915 318 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 318 T C 1.690 176.473 174.700 0.138 0.000 1.071 318 T CA 1.409 63.600 62.100 0.152 0.000 1.132 318 T CB 0.093 69.062 68.868 0.169 0.000 0.878 318 T HN 0.255 nan 8.240 nan 0.000 0.479 319 V N -0.906 119.071 119.914 0.104 0.000 3.649 319 V HA 0.328 4.448 4.120 -0.000 0.000 0.275 319 V C 0.664 176.757 176.094 -0.002 0.000 1.281 319 V CA -0.286 62.056 62.300 0.069 0.000 1.143 319 V CB -0.567 31.272 31.823 0.026 0.000 0.892 319 V HN 0.074 nan 8.190 nan 0.000 0.441 320 V N 2.451 122.352 119.914 -0.022 0.000 2.389 320 V HA 0.265 4.384 4.120 -0.000 0.000 0.264 320 V C 1.039 177.080 176.094 -0.088 0.000 1.049 320 V CA -0.065 62.131 62.300 -0.173 0.000 0.932 320 V CB 0.801 32.371 31.823 -0.422 0.000 1.011 320 V HN 0.388 nan 8.190 nan 0.000 0.475 321 D N 3.333 123.681 120.400 -0.087 0.000 2.219 321 D HA -0.008 4.631 4.640 -0.000 0.000 0.205 321 D C 0.815 177.115 176.300 -0.001 0.000 0.970 321 D CA 1.184 55.173 54.000 -0.019 0.000 0.851 321 D CB 0.520 41.314 40.800 -0.011 0.000 0.943 321 D HN 0.574 nan 8.370 nan 0.000 0.488 322 K N -0.760 119.602 120.400 -0.062 0.000 2.598 322 K HA 0.208 4.528 4.320 -0.000 0.000 0.271 322 K C -2.012 174.569 176.600 -0.033 0.000 0.947 322 K CA -0.631 55.665 56.287 0.016 0.000 0.854 322 K CB 1.072 33.596 32.500 0.041 0.000 1.401 322 K HN -0.225 nan 8.250 nan 0.000 0.415 323 W N 2.573 123.842 121.300 -0.052 0.000 2.655 323 W HA 0.651 5.311 4.660 -0.000 0.000 0.358 323 W C -0.696 175.728 176.519 -0.158 0.000 1.100 323 W CA -0.401 56.941 57.345 -0.005 0.000 1.195 323 W CB 1.057 30.499 29.460 -0.029 0.000 1.403 323 W HN 0.291 nan 8.180 nan 0.000 0.589 324 F N 1.608 121.684 119.950 0.210 0.000 2.591 324 F HA 0.400 4.927 4.527 -0.000 0.000 0.309 324 F C 0.058 175.898 175.800 0.066 0.000 1.098 324 F CA -1.373 56.673 58.000 0.077 0.000 0.937 324 F CB 1.588 40.581 39.000 -0.013 0.000 1.250 324 F HN -0.106 nan 8.300 nan 0.000 0.447 325 K N 1.418 121.923 120.400 0.174 0.000 2.098 325 K HA 0.754 5.074 4.320 -0.000 0.000 0.258 325 K C -0.366 176.254 176.600 0.033 0.000 0.973 325 K CA -0.451 55.881 56.287 0.076 0.000 0.898 325 K CB 1.923 34.437 32.500 0.024 0.000 1.057 325 K HN 0.756 nan 8.250 nan 0.000 0.447 326 S N 0.016 115.688 115.700 -0.046 0.000 2.704 326 S HA 0.635 5.105 4.470 -0.000 0.000 0.296 326 S C -0.737 173.786 174.600 -0.129 0.000 1.138 326 S CA -0.930 57.206 58.200 -0.107 0.000 0.875 326 S CB 1.454 64.547 63.200 -0.179 0.000 1.151 326 S HN 0.679 nan 8.310 nan 0.000 0.500 327 N N -0.700 117.916 118.700 -0.139 0.000 2.509 327 N HA 0.493 5.233 4.740 -0.000 0.000 0.280 327 N C -0.448 174.935 175.510 -0.212 0.000 1.306 327 N CA -0.846 52.138 53.050 -0.110 0.000 0.782 327 N CB 0.446 38.926 38.487 -0.011 0.000 1.493 327 N HN 0.352 nan 8.380 nan 0.000 0.498 328 D N 0.056 120.351 120.400 -0.174 0.000 2.092 328 D HA -0.219 4.421 4.640 -0.000 0.000 0.193 328 D C 1.281 177.220 176.300 -0.603 0.000 0.994 328 D CA 1.572 55.294 54.000 -0.462 0.000 0.828 328 D CB -0.175 40.574 40.800 -0.085 0.000 0.963 328 D HN 0.845 nan 8.370 nan 0.000 0.450 329 E N 0.542 120.619 120.200 -0.205 0.000 2.070 329 E HA -0.250 4.100 4.350 -0.000 0.000 0.197 329 E C 1.987 178.567 176.600 -0.032 0.000 1.004 329 E CA 1.443 57.825 56.400 -0.031 0.000 0.805 329 E CB -0.007 29.840 29.700 0.245 0.000 0.744 329 E HN 0.299 nan 8.360 nan 0.000 0.451 330 E N -0.361 119.815 120.200 -0.040 0.000 2.051 330 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 330 E C 1.947 178.519 176.600 -0.046 0.000 0.991 330 E CA 1.060 57.470 56.400 0.016 0.000 0.799 330 E CB -0.200 29.461 29.700 -0.066 0.000 0.748 330 E HN 0.368 nan 8.360 nan 0.000 0.449 331 A N 0.594 123.233 122.820 -0.301 0.000 1.851 331 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 331 A C 2.019 179.361 177.584 -0.402 0.000 1.195 331 A CA 1.656 53.422 52.037 -0.453 0.000 0.622 331 A CB -1.188 17.363 19.000 -0.748 0.000 0.831 331 A HN 0.410 nan 8.150 nan 0.000 0.444 332 F N 0.826 120.586 119.950 -0.317 0.000 2.216 332 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 332 F C 2.932 178.626 175.800 -0.177 0.000 1.085 332 F CA 1.323 59.096 58.000 -0.377 0.000 1.326 332 F CB -0.526 38.299 39.000 -0.292 0.000 1.027 332 F HN 0.405 nan 8.300 nan 0.000 0.497 333 T N -2.146 112.473 114.554 0.108 0.000 2.821 333 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 333 T C 1.652 176.348 174.700 -0.005 0.000 1.046 333 T CA 0.997 63.148 62.100 0.084 0.000 1.139 333 T CB -0.859 68.067 68.868 0.097 0.000 0.871 333 T HN 0.121 nan 8.240 nan 0.000 0.454 334 F N 2.001 121.897 119.950 -0.090 0.000 2.293 334 F HA 0.390 4.917 4.527 -0.000 0.000 0.297 334 F C 2.865 178.589 175.800 -0.127 0.000 1.089 334 F CA 0.318 58.255 58.000 -0.105 0.000 1.377 334 F CB -0.736 38.165 39.000 -0.164 0.000 1.051 334 F HN 0.245 nan 8.300 nan 0.000 0.511 335 A N 0.164 122.949 122.820 -0.058 0.000 1.877 335 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 335 A C 2.271 179.843 177.584 -0.019 0.000 1.186 335 A CA 1.647 53.569 52.037 -0.193 0.000 0.620 335 A CB -0.653 17.917 19.000 -0.716 0.000 0.822 335 A HN 0.284 nan 8.150 nan 0.000 0.443 336 R N -1.592 118.935 120.500 0.045 0.000 2.120 336 R HA -0.023 4.317 4.340 -0.000 0.000 0.234 336 R C 2.223 178.547 176.300 0.041 0.000 1.123 336 R CA 1.555 57.729 56.100 0.124 0.000 0.975 336 R CB -0.291 30.095 30.300 0.143 0.000 0.866 336 R HN 0.651 nan 8.270 nan 0.000 0.446 337 M N 0.134 119.719 119.600 -0.025 0.000 2.254 337 M HA -0.097 4.383 4.480 -0.000 0.000 0.265 337 M C 1.639 177.930 176.300 -0.014 0.000 1.066 337 M CA 1.414 56.677 55.300 -0.062 0.000 1.123 337 M CB 0.208 32.686 32.600 -0.205 0.000 1.388 337 M HN 0.141 nan 8.290 nan 0.000 0.425 338 L N -0.361 120.865 121.223 0.006 0.000 2.109 338 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 338 L C 2.127 179.011 176.870 0.023 0.000 1.086 338 L CA 0.954 55.808 54.840 0.024 0.000 0.760 338 L CB -0.396 41.673 42.059 0.018 0.000 0.910 338 L HN 0.332 nan 8.230 nan 0.000 0.437 339 I N -0.513 120.073 120.570 0.025 0.000 2.286 339 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 339 I C 2.683 178.815 176.117 0.025 0.000 1.104 339 I CA 1.067 62.381 61.300 0.024 0.000 1.397 339 I CB -0.366 37.661 38.000 0.045 0.000 1.072 339 I HN 0.153 nan 8.210 nan 0.000 0.417 340 A N -0.126 122.709 122.820 0.025 0.000 1.930 340 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 340 A C 2.199 179.794 177.584 0.018 0.000 1.176 340 A CA 1.200 53.248 52.037 0.019 0.000 0.632 340 A CB -0.244 18.765 19.000 0.015 0.000 0.819 340 A HN 0.441 nan 8.150 nan 0.000 0.445 341 Q N -1.489 118.322 119.800 0.019 0.000 2.394 341 Q HA 0.053 4.393 4.340 -0.000 0.000 0.218 341 Q C 0.987 177.008 176.000 0.036 0.000 0.907 341 Q CA 0.605 56.422 55.803 0.023 0.000 0.919 341 Q CB 0.393 29.142 28.738 0.018 0.000 1.051 341 Q HN 0.512 nan 8.270 nan 0.000 0.538 342 E N -0.679 119.548 120.200 0.044 0.000 2.511 342 E HA 0.123 4.473 4.350 -0.000 0.000 0.209 342 E C 0.715 177.359 176.600 0.073 0.000 0.986 342 E CA 0.571 57.008 56.400 0.061 0.000 0.974 342 E CB 1.238 30.982 29.700 0.073 0.000 1.030 342 E HN 0.387 nan 8.360 nan 0.000 0.490 343 G N 2.149 110.984 108.800 0.059 0.000 2.198 343 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 343 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 343 G C 0.078 175.028 174.900 0.084 0.000 1.025 343 G CA 0.365 45.503 45.100 0.063 0.000 0.769 343 G HN 0.192 nan 8.290 nan 0.000 0.507 344 L N 0.253 121.516 121.223 0.066 0.000 2.255 344 L HA 0.454 4.794 4.340 -0.000 0.000 0.289 344 L C 1.108 177.855 176.870 -0.206 0.000 1.046 344 L CA -0.785 54.083 54.840 0.046 0.000 0.816 344 L CB 1.248 43.389 42.059 0.138 0.000 1.197 344 L HN 0.033 nan 8.230 nan 0.000 0.427 345 L N 4.235 125.261 121.223 -0.330 0.000 2.511 345 L HA 0.114 4.454 4.340 -0.000 0.000 0.239 345 L C 0.659 177.126 176.870 -0.672 0.000 1.400 345 L CA -0.472 54.153 54.840 -0.357 0.000 1.226 345 L CB -0.817 41.116 42.059 -0.210 0.000 1.475 345 L HN 0.759 nan 8.230 nan 0.000 0.428 346 C N -1.720 117.187 119.300 -0.655 0.000 2.365 346 C HA 0.907 5.367 4.460 -0.000 0.000 0.374 346 C C 1.141 176.084 174.990 -0.079 0.000 1.318 346 C CA -0.519 58.152 59.018 -0.578 0.000 2.239 346 C CB 0.491 27.968 27.740 -0.438 0.000 2.144 346 C HN 0.527 nan 8.230 nan 0.000 0.581 347 G N -0.538 108.265 108.800 0.005 0.000 2.671 347 G HA2 0.500 4.460 3.960 -0.000 0.000 0.275 347 G HA3 0.500 4.460 3.960 -0.000 0.000 0.275 347 G C 0.902 175.568 174.900 -0.391 0.000 1.368 347 G CA -0.034 45.081 45.100 0.025 0.000 1.044 347 G HN 1.325 nan 8.290 nan 0.000 0.543 348 G N -0.592 107.761 108.800 -0.746 0.000 2.418 348 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 348 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 348 G C 2.041 176.686 174.900 -0.425 0.000 1.158 348 G CA 1.795 46.492 45.100 -0.670 0.000 0.771 348 G HN 0.681 nan 8.290 nan 0.000 0.545 349 S N 0.779 116.331 115.700 -0.247 0.000 2.370 349 S HA -0.061 4.409 4.470 -0.000 0.000 0.226 349 S C 2.752 177.252 174.600 -0.166 0.000 1.033 349 S CA 1.743 59.847 58.200 -0.160 0.000 1.011 349 S CB -0.513 62.663 63.200 -0.040 0.000 0.852 349 S HN 0.598 nan 8.310 nan 0.000 0.457 350 A N 0.820 123.558 122.820 -0.137 0.000 1.908 350 A HA 0.032 4.352 4.320 -0.000 0.000 0.218 350 A C 2.356 179.852 177.584 -0.147 0.000 1.181 350 A CA 2.002 53.978 52.037 -0.101 0.000 0.627 350 A CB -1.696 17.267 19.000 -0.061 0.000 0.818 350 A HN 0.643 nan 8.150 nan 0.000 0.445 351 G N -0.795 107.876 108.800 -0.215 0.000 2.421 351 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 351 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 351 G C 1.828 176.570 174.900 -0.265 0.000 1.171 351 G CA 1.315 46.305 45.100 -0.183 0.000 0.775 351 G HN 0.496 nan 8.290 nan 0.000 0.543 352 S N 0.497 116.009 115.700 -0.313 0.000 2.365 352 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 352 S C 2.553 176.963 174.600 -0.317 0.000 1.039 352 S CA 1.895 59.898 58.200 -0.328 0.000 1.033 352 S CB -0.582 62.447 63.200 -0.286 0.000 0.887 352 S HN 0.507 nan 8.310 nan 0.000 0.447 353 T N 1.678 116.082 114.554 -0.250 0.000 2.821 353 T HA -0.018 4.332 4.350 -0.000 0.000 0.267 353 T C 1.885 176.418 174.700 -0.277 0.000 1.046 353 T CA 1.122 63.085 62.100 -0.229 0.000 1.139 353 T CB -0.330 68.445 68.868 -0.154 0.000 0.871 353 T HN 0.227 nan 8.240 nan 0.000 0.454 354 V N 1.461 121.210 119.914 -0.274 0.000 2.591 354 V HA 0.021 4.140 4.120 -0.000 0.000 0.249 354 V C 2.892 178.629 176.094 -0.595 0.000 1.053 354 V CA 1.138 63.272 62.300 -0.277 0.000 1.068 354 V CB -1.118 30.666 31.823 -0.064 0.000 0.689 354 V HN 0.502 nan 8.190 nan 0.000 0.462 355 A N 0.165 122.395 122.820 -0.984 0.000 1.908 355 A HA -0.172 4.147 4.320 -0.000 0.000 0.218 355 A C 2.374 179.427 177.584 -0.885 0.000 1.181 355 A CA 2.262 53.317 52.037 -1.636 0.000 0.627 355 A CB -0.631 17.555 19.000 -1.356 0.000 0.818 355 A HN 0.343 nan 8.150 nan 0.000 0.445 356 V N -0.407 119.134 119.914 -0.622 0.000 2.379 356 V HA -0.155 3.964 4.120 -0.000 0.000 0.245 356 V C 3.028 178.752 176.094 -0.617 0.000 1.044 356 V CA 1.640 63.589 62.300 -0.586 0.000 1.036 356 V CB -1.154 30.368 31.823 -0.502 0.000 0.664 356 V HN 0.615 nan 8.190 nan 0.000 0.453 357 A N 0.927 123.460 122.820 -0.479 0.000 1.908 357 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 357 A C 2.331 179.722 177.584 -0.322 0.000 1.181 357 A CA 2.225 54.042 52.037 -0.366 0.000 0.627 357 A CB -0.873 17.971 19.000 -0.259 0.000 0.818 357 A HN 0.708 nan 8.150 nan 0.000 0.445 358 V N -2.574 117.122 119.914 -0.362 0.000 3.026 358 V HA -0.163 3.957 4.120 -0.000 0.000 0.265 358 V C 1.673 177.641 176.094 -0.210 0.000 1.121 358 V CA 2.262 64.386 62.300 -0.293 0.000 1.142 358 V CB -0.779 30.710 31.823 -0.556 0.000 0.730 358 V HN 0.554 nan 8.190 nan 0.000 0.503 359 K N 0.942 121.169 120.400 -0.288 0.000 2.161 359 K HA 0.421 4.741 4.320 -0.000 0.000 0.205 359 K C 2.463 178.940 176.600 -0.204 0.000 1.035 359 K CA 0.988 57.154 56.287 -0.202 0.000 0.970 359 K CB -0.375 31.980 32.500 -0.243 0.000 0.866 359 K HN 0.407 nan 8.250 nan 0.000 0.461 360 A N 1.704 124.265 122.820 -0.433 0.000 1.933 360 A HA -0.091 4.228 4.320 -0.000 0.000 0.218 360 A C 2.209 179.718 177.584 -0.126 0.000 1.175 360 A CA 1.920 53.769 52.037 -0.314 0.000 0.628 360 A CB -0.630 18.042 19.000 -0.547 0.000 0.814 360 A HN 0.332 nan 8.150 nan 0.000 0.444 361 A N -1.323 121.413 122.820 -0.141 0.000 2.238 361 A HA 0.067 4.387 4.320 -0.000 0.000 0.208 361 A C 1.829 179.393 177.584 -0.033 0.000 1.177 361 A CA 0.675 52.667 52.037 -0.076 0.000 0.804 361 A CB -0.302 18.648 19.000 -0.083 0.000 0.823 361 A HN 0.473 nan 8.150 nan 0.000 0.482 362 Q N 0.850 120.637 119.800 -0.022 0.000 2.061 362 Q HA -0.250 4.089 4.340 -0.000 0.000 0.204 362 Q C 1.917 177.926 176.000 0.016 0.000 0.984 362 Q CA 2.060 57.869 55.803 0.011 0.000 0.846 362 Q CB -0.515 28.240 28.738 0.027 0.000 0.902 362 Q HN 0.998 nan 8.270 nan 0.000 0.421 363 E N 0.086 120.297 120.200 0.019 0.000 2.219 363 E HA -0.170 4.179 4.350 -0.000 0.000 0.198 363 E C 0.051 176.659 176.600 0.013 0.000 0.998 363 E CA 0.322 56.734 56.400 0.021 0.000 0.818 363 E CB -0.268 29.448 29.700 0.027 0.000 0.741 363 E HN 0.046 nan 8.360 nan 0.000 0.477 364 L N 2.352 123.578 121.223 0.005 0.000 2.453 364 L HA 0.072 4.412 4.340 -0.000 0.000 0.272 364 L C 0.409 177.283 176.870 0.006 0.000 1.182 364 L CA 0.836 55.677 54.840 0.002 0.000 0.858 364 L CB 0.808 42.862 42.059 -0.008 0.000 1.120 364 L HN 0.166 nan 8.230 nan 0.000 0.474 365 Q N 1.975 121.778 119.800 0.006 0.000 2.194 365 Q HA 0.355 4.695 4.340 -0.000 0.000 0.245 365 Q C -0.405 175.599 176.000 0.005 0.000 0.993 365 Q CA -0.942 54.865 55.803 0.007 0.000 0.930 365 Q CB 1.251 29.993 28.738 0.007 0.000 1.238 365 Q HN 0.581 nan 8.270 nan 0.000 0.486 366 E N -0.432 119.772 120.200 0.007 0.000 2.437 366 E HA 0.167 4.517 4.350 -0.000 0.000 0.263 366 E C 0.391 176.993 176.600 0.003 0.000 1.030 366 E CA 0.501 56.904 56.400 0.006 0.000 0.934 366 E CB 0.182 29.886 29.700 0.007 0.000 0.943 366 E HN 0.873 nan 8.360 nan 0.000 0.444 367 G N 1.968 110.768 108.800 0.001 0.000 2.258 367 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.233 367 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.233 367 G C 0.188 175.087 174.900 -0.003 0.000 1.006 367 G CA 0.126 45.225 45.100 -0.001 0.000 0.620 367 G HN 0.537 nan 8.290 nan 0.000 0.511 368 Q N -0.223 119.575 119.800 -0.003 0.000 2.212 368 Q HA 0.717 5.057 4.340 -0.000 0.000 0.238 368 Q C 0.062 176.057 176.000 -0.008 0.000 0.955 368 Q CA -0.544 55.255 55.803 -0.006 0.000 0.906 368 Q CB 1.318 30.053 28.738 -0.005 0.000 1.215 368 Q HN 0.315 nan 8.270 nan 0.000 0.478 369 R N 0.131 120.623 120.500 -0.013 0.000 2.561 369 R HA 0.468 4.808 4.340 -0.000 0.000 0.297 369 R C -1.856 174.430 176.300 -0.024 0.000 0.969 369 R CA -0.344 55.746 56.100 -0.016 0.000 0.879 369 R CB 1.471 31.761 30.300 -0.016 0.000 1.178 369 R HN 0.703 nan 8.270 nan 0.000 0.445 370 C N 5.311 124.594 119.300 -0.028 0.000 2.340 370 C HA 0.651 5.111 4.460 -0.000 0.000 0.323 370 C C -0.872 174.092 174.990 -0.043 0.000 1.260 370 C CA -0.410 58.583 59.018 -0.041 0.000 1.464 370 C CB 0.559 28.268 27.740 -0.051 0.000 2.156 370 C HN 0.605 nan 8.230 nan 0.000 0.476 371 V N 6.837 126.721 119.914 -0.049 0.000 2.394 371 V HA 0.549 4.669 4.120 -0.000 0.000 0.282 371 V C 0.141 176.199 176.094 -0.061 0.000 1.031 371 V CA -0.279 61.993 62.300 -0.047 0.000 0.881 371 V CB 1.445 33.242 31.823 -0.043 0.000 0.982 371 V HN 0.746 nan 8.190 nan 0.000 0.451 372 V N 6.587 126.469 119.914 -0.052 0.000 2.715 372 V HA 0.580 4.700 4.120 -0.000 0.000 0.310 372 V C -0.402 175.669 176.094 -0.039 0.000 1.054 372 V CA -0.594 61.668 62.300 -0.063 0.000 0.928 372 V CB 2.134 33.917 31.823 -0.068 0.000 1.007 372 V HN 0.748 nan 8.190 nan 0.000 0.437 373 I N 6.372 126.912 120.570 -0.049 0.000 2.339 373 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 373 I C -0.689 175.433 176.117 0.008 0.000 0.994 373 I CA -0.411 60.874 61.300 -0.025 0.000 1.191 373 I CB 1.398 39.362 38.000 -0.060 0.000 1.343 373 I HN 0.326 nan 8.210 nan 0.000 0.458 374 L N 8.386 129.656 121.223 0.077 0.000 2.277 374 L HA 0.346 4.685 4.340 -0.000 0.000 0.284 374 L C -1.926 175.059 176.870 0.192 0.000 1.028 374 L CA -1.530 53.401 54.840 0.151 0.000 0.835 374 L CB 1.211 43.449 42.059 0.297 0.000 1.215 374 L HN 0.316 nan 8.230 nan 0.000 0.425 375 P HA -0.123 nan 4.420 nan 0.000 0.215 375 P C -0.417 176.999 177.300 0.193 0.000 1.157 375 P CA 1.259 64.438 63.100 0.132 0.000 0.863 375 P CB 0.209 31.960 31.700 0.084 0.000 0.787 376 D N -2.999 117.538 120.400 0.228 0.000 2.664 376 D HA 0.262 4.902 4.640 -0.000 0.000 0.292 376 D C -0.640 175.779 176.300 0.199 0.000 1.214 376 D CA -0.766 53.380 54.000 0.244 0.000 0.932 376 D CB 0.294 41.219 40.800 0.209 0.000 1.420 376 D HN -0.040 nan 8.370 nan 0.000 0.471 377 S N -1.110 114.679 115.700 0.147 0.000 2.681 377 S HA 0.376 4.846 4.470 -0.000 0.000 0.270 377 S C 1.505 176.176 174.600 0.118 0.000 1.209 377 S CA -0.107 58.090 58.200 -0.005 0.000 0.988 377 S CB 0.982 64.176 63.200 -0.010 0.000 1.006 377 S HN 0.935 nan 8.310 nan 0.000 0.558 378 V N -0.763 119.177 119.914 0.043 0.000 2.970 378 V HA 0.018 4.138 4.120 -0.000 0.000 0.260 378 V C 2.516 178.625 176.094 0.026 0.000 1.100 378 V CA 1.398 63.784 62.300 0.144 0.000 1.122 378 V CB -1.364 30.433 31.823 -0.043 0.000 0.721 378 V HN 0.951 nan 8.190 nan 0.000 0.483 379 R N 1.206 121.674 120.500 -0.053 0.000 2.134 379 R HA -0.252 4.088 4.340 -0.000 0.000 0.248 379 R C 1.887 178.060 176.300 -0.212 0.000 1.143 379 R CA 2.413 58.444 56.100 -0.114 0.000 0.957 379 R CB -0.371 29.876 30.300 -0.089 0.000 0.867 379 R HN 0.567 nan 8.270 nan 0.000 0.441 380 N N -0.615 117.856 118.700 -0.382 0.000 2.571 380 N HA -0.090 4.649 4.740 -0.000 0.000 0.189 380 N C -0.303 174.732 175.510 -0.792 0.000 1.154 380 N CA 0.795 53.462 53.050 -0.637 0.000 0.907 380 N CB 0.221 38.200 38.487 -0.846 0.000 0.977 380 N HN 0.383 nan 8.380 nan 0.000 0.449 381 Y N -1.335 118.873 120.300 -0.153 0.000 2.715 381 Y HA 0.294 4.844 4.550 -0.000 0.000 0.255 381 Y C 1.298 176.931 175.900 -0.446 0.000 1.139 381 Y CA -0.501 57.422 58.100 -0.296 0.000 1.151 381 Y CB 0.130 38.443 38.460 -0.246 0.000 1.201 381 Y HN -0.125 nan 8.280 nan 0.000 0.556 382 M N 0.060 119.523 119.600 -0.229 0.000 2.106 382 M HA -0.159 4.321 4.480 -0.000 0.000 0.259 382 M C 1.840 177.996 176.300 -0.240 0.000 1.068 382 M CA 2.101 57.266 55.300 -0.226 0.000 1.100 382 M CB -1.497 31.009 32.600 -0.156 0.000 1.351 382 M HN 0.424 nan 8.290 nan 0.000 0.404 383 T N -3.067 111.351 114.554 -0.226 0.000 3.206 383 T HA 0.230 4.580 4.350 -0.000 0.000 0.253 383 T C 0.993 175.464 174.700 -0.382 0.000 1.042 383 T CA -0.178 61.802 62.100 -0.201 0.000 0.931 383 T CB 0.584 69.390 68.868 -0.103 0.000 1.029 383 T HN 0.270 nan 8.240 nan 0.000 0.564 384 K N 0.347 120.362 120.400 -0.641 0.000 4.485 384 K HA 0.392 4.712 4.320 -0.000 0.000 0.264 384 K C 1.188 177.126 176.600 -1.105 0.000 1.023 384 K CA -0.139 55.277 56.287 -1.452 0.000 1.902 384 K CB -0.320 31.389 32.500 -1.318 0.000 3.087 384 K HN 0.165 nan 8.250 nan 0.000 0.774 385 F N 1.354 120.605 119.950 -1.164 0.000 2.373 385 F HA -0.070 4.457 4.527 -0.000 0.000 0.300 385 F C 1.403 177.065 175.800 -0.231 0.000 1.080 385 F CA 0.893 58.512 58.000 -0.635 0.000 1.417 385 F CB -0.211 38.283 39.000 -0.842 0.000 1.070 385 F HN 0.068 nan 8.300 nan 0.000 0.546 386 L N 0.363 121.024 121.223 -0.937 0.000 2.599 386 L HA 0.218 4.558 4.340 -0.000 0.000 0.230 386 L C 0.226 176.940 176.870 -0.259 0.000 1.141 386 L CA 0.632 55.085 54.840 -0.645 0.000 0.877 386 L CB -0.746 40.880 42.059 -0.720 0.000 1.009 386 L HN 0.356 nan 8.230 nan 0.000 0.447 387 S N -0.677 114.928 115.700 -0.158 0.000 2.519 387 S HA 0.240 4.710 4.470 -0.000 0.000 0.309 387 S C 0.543 175.209 174.600 0.110 0.000 1.100 387 S CA -0.703 57.488 58.200 -0.015 0.000 1.059 387 S CB 1.303 64.502 63.200 -0.002 0.000 1.008 387 S HN 0.182 nan 8.310 nan 0.000 0.478 388 D N 3.677 124.128 120.400 0.086 0.000 2.117 388 D HA -0.071 4.569 4.640 -0.000 0.000 0.197 388 D C 1.921 178.294 176.300 0.123 0.000 0.987 388 D CA 1.293 55.358 54.000 0.108 0.000 0.829 388 D CB 0.002 40.843 40.800 0.069 0.000 0.961 388 D HN 0.551 nan 8.370 nan 0.000 0.460 389 R N -0.588 119.977 120.500 0.108 0.000 2.094 389 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 389 R C 2.173 178.555 176.300 0.137 0.000 1.137 389 R CA 1.583 57.741 56.100 0.098 0.000 0.943 389 R CB -0.520 29.833 30.300 0.089 0.000 0.850 389 R HN 0.304 nan 8.270 nan 0.000 0.433 390 W N 0.895 122.197 121.300 0.003 0.000 2.354 390 W HA -0.188 4.472 4.660 -0.000 0.000 0.315 390 W C 2.056 178.605 176.519 0.050 0.000 1.206 390 W CA 1.298 58.652 57.345 0.015 0.000 1.290 390 W CB -0.081 29.378 29.460 -0.002 0.000 1.152 390 W HN -0.046 nan 8.180 nan 0.000 0.489 391 M N 0.183 120.030 119.600 0.412 0.000 2.106 391 M HA -0.245 4.235 4.480 -0.000 0.000 0.259 391 M C 2.078 178.433 176.300 0.092 0.000 1.068 391 M CA 1.707 57.208 55.300 0.334 0.000 1.100 391 M CB -1.783 31.017 32.600 0.334 0.000 1.351 391 M HN 0.199 nan 8.290 nan 0.000 0.404 392 L N -0.318 120.934 121.223 0.048 0.000 1.988 392 L HA -0.268 4.072 4.340 -0.000 0.000 0.207 392 L C 2.683 179.484 176.870 -0.116 0.000 1.071 392 L CA 1.719 56.549 54.840 -0.016 0.000 0.744 392 L CB -0.909 41.153 42.059 0.006 0.000 0.893 392 L HN 0.330 nan 8.230 nan 0.000 0.433 393 Q N 0.576 120.290 119.800 -0.143 0.000 2.062 393 Q HA -0.247 4.093 4.340 -0.000 0.000 0.209 393 Q C 1.844 177.639 176.000 -0.342 0.000 0.996 393 Q CA 1.858 57.536 55.803 -0.209 0.000 0.859 393 Q CB -0.191 28.425 28.738 -0.203 0.000 0.920 393 Q HN 0.164 nan 8.270 nan 0.000 0.415 394 K N -0.092 119.979 120.400 -0.548 0.000 2.504 394 K HA 0.073 4.393 4.320 -0.000 0.000 0.195 394 K C 0.970 177.058 176.600 -0.853 0.000 1.036 394 K CA 0.826 56.625 56.287 -0.812 0.000 0.984 394 K CB -0.354 31.398 32.500 -1.246 0.000 0.788 394 K HN 0.576 nan 8.250 nan 0.000 0.488 395 G N 1.180 109.683 108.800 -0.495 0.000 2.246 395 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.273 395 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.273 395 G C 0.485 175.221 174.900 -0.273 0.000 1.055 395 G CA 0.185 45.085 45.100 -0.333 0.000 0.851 395 G HN 0.394 nan 8.290 nan 0.000 0.500 396 F N -1.575 118.379 119.950 0.006 0.000 2.622 396 F HA 0.480 5.007 4.527 -0.000 0.000 0.288 396 F C 1.511 177.366 175.800 0.091 0.000 1.120 396 F CA -0.208 57.846 58.000 0.090 0.000 1.423 396 F CB 0.367 39.476 39.000 0.181 0.000 1.127 396 F HN 0.286 nan 8.300 nan 0.000 0.588 397 L N 0.000 121.362 121.223 0.231 0.000 2.949 397 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 397 L CA 0.000 54.935 54.840 0.159 0.000 0.813 397 L CB 0.000 42.161 42.059 0.169 0.000 0.961 397 L HN 0.000 nan 8.230 nan 0.000 0.502