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 3ko1_1_C DATA FIRST_RESID 28 DATA SEQUENCE GKEAVRANIA AVKAVEEALK STYGPRGMDK MLVDSLGDIT ITNDGATILD DATA SEQUENCE KMDLQHPAAK LLVQIAKGQD EETADGTKTA VIFSGELVKK AEDLLYKDVH DATA SEQUENCE PTIIISGYKK AEEVALQTIQ ELAQTVSIND TDLLRKIAMT SLSSKAVAGA DATA SEQUENCE REYIADIVVK AVTQVAELRG DKWYVDLDNI QIVKKAGGSI NDTQLVYGIV DATA SEQUENCE VDKEVVHPGM PKRLENAKIA LIDASLEVEK PELDAEIRIN DPTQMQKFLD DATA SEQUENCE EEENLIKEKV DKILATGANV IICQKGIDEV AQSYLAKKGV LAVRRAKKSD DATA SEQUENCE LEKLARATGG RVVSNIDEIS EQDLGYASLI EERKVGEDKM VFVEGAKNPK DATA SEQUENCE SISILIRGGL ERLVDETERA LRDALGTVAD VIKDGRAIAG GGAVEIEIAK DATA SEQUENCE KLRKYAPQVG GKEQLAVEAY ANALESLVSI LIENAGFDPI DLLMKLRSTH DATA SEQUENCE ENENNKWYGI DLYAGQPVDM WQKGVIEPAL VKMNAIKAAT EAATLVLRID DATA SEQUENCE DVVSA 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 28 G C 0.000 174.900 174.900 0.000 0.000 0.946 28 G CA 0.000 45.105 45.100 0.008 0.000 0.502 29 K N 0.209 120.608 120.400 -0.002 0.000 2.189 29 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 29 K C 2.260 178.861 176.600 0.001 0.000 1.046 29 K CA 2.000 58.286 56.287 -0.003 0.000 0.928 29 K CB -0.101 32.397 32.500 -0.004 0.000 0.720 29 K HN 0.526 nan 8.250 nan 0.000 0.458 30 E N 0.379 120.581 120.200 0.004 0.000 2.144 30 E HA -0.302 4.048 4.350 -0.000 0.000 0.243 30 E C 1.955 178.561 176.600 0.010 0.000 1.043 30 E CA 2.203 58.607 56.400 0.007 0.000 0.952 30 E CB -0.724 28.981 29.700 0.009 0.000 0.849 30 E HN 0.434 nan 8.360 nan 0.000 0.522 31 A N 0.894 123.724 122.820 0.016 0.000 1.943 31 A HA 0.034 4.354 4.320 -0.000 0.000 0.213 31 A C 2.667 180.265 177.584 0.024 0.000 1.181 31 A CA 0.991 53.045 52.037 0.028 0.000 0.653 31 A CB -0.518 18.505 19.000 0.039 0.000 0.833 31 A HN 0.116 nan 8.150 nan 0.000 0.451 32 V N 0.832 120.753 119.914 0.013 0.000 2.428 32 V HA -0.306 3.814 4.120 -0.000 0.000 0.255 32 V C 2.742 178.835 176.094 -0.003 0.000 1.080 32 V CA 2.307 64.610 62.300 0.004 0.000 1.083 32 V CB -0.923 30.893 31.823 -0.012 0.000 0.665 32 V HN 0.521 nan 8.190 nan 0.000 0.461 33 R N 0.342 120.838 120.500 -0.006 0.000 2.066 33 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 33 R C 2.352 178.630 176.300 -0.036 0.000 1.131 33 R CA 1.927 58.017 56.100 -0.016 0.000 0.955 33 R CB -0.987 29.307 30.300 -0.011 0.000 0.851 33 R HN 0.490 nan 8.270 nan 0.000 0.432 34 A N 1.964 124.762 122.820 -0.037 0.000 1.859 34 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 34 A C 1.930 179.420 177.584 -0.156 0.000 1.198 34 A CA 1.945 53.922 52.037 -0.101 0.000 0.629 34 A CB -0.771 18.201 19.000 -0.046 0.000 0.830 34 A HN 0.453 nan 8.150 nan 0.000 0.446 35 N N 0.205 118.895 118.700 -0.016 0.000 2.036 35 N HA -0.182 4.558 4.740 -0.000 0.000 0.195 35 N C 1.812 177.309 175.510 -0.021 0.000 1.037 35 N CA 1.874 54.950 53.050 0.043 0.000 0.855 35 N CB -0.619 37.922 38.487 0.090 0.000 1.033 35 N HN 0.584 nan 8.380 nan 0.000 0.423 36 I N 1.637 122.194 120.570 -0.023 0.000 2.087 36 I HA -0.341 3.829 4.170 -0.000 0.000 0.240 36 I C 2.522 178.606 176.117 -0.055 0.000 1.054 36 I CA 1.408 62.689 61.300 -0.031 0.000 1.311 36 I CB -0.562 37.421 38.000 -0.028 0.000 1.024 36 I HN 0.100 nan 8.210 nan 0.000 0.402 37 A N 0.886 123.660 122.820 -0.077 0.000 1.870 37 A HA -0.363 3.957 4.320 -0.000 0.000 0.219 37 A C 2.545 180.065 177.584 -0.106 0.000 1.224 37 A CA 2.947 54.928 52.037 -0.094 0.000 0.650 37 A CB -1.309 17.620 19.000 -0.118 0.000 0.836 37 A HN 0.524 nan 8.150 nan 0.000 0.454 38 A N -0.989 121.731 122.820 -0.166 0.000 1.892 38 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 38 A C 2.290 179.848 177.584 -0.042 0.000 1.188 38 A CA 2.378 54.337 52.037 -0.131 0.000 0.631 38 A CB -1.245 17.654 19.000 -0.168 0.000 0.822 38 A HN 0.599 nan 8.150 nan 0.000 0.447 39 V N 0.318 120.217 119.914 -0.025 0.000 2.233 39 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 39 V C 2.445 178.522 176.094 -0.028 0.000 1.050 39 V CA 2.440 64.732 62.300 -0.012 0.000 1.010 39 V CB -0.868 30.950 31.823 -0.009 0.000 0.637 39 V HN 0.561 nan 8.190 nan 0.000 0.444 40 K N 0.289 120.664 120.400 -0.042 0.000 2.089 40 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 40 K C 2.306 178.881 176.600 -0.041 0.000 1.048 40 K CA 1.676 57.934 56.287 -0.048 0.000 0.926 40 K CB -0.577 31.892 32.500 -0.052 0.000 0.714 40 K HN 0.509 nan 8.250 nan 0.000 0.448 41 A N 1.252 124.048 122.820 -0.039 0.000 1.873 41 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 41 A C 2.450 180.023 177.584 -0.018 0.000 1.193 41 A CA 1.924 53.943 52.037 -0.031 0.000 0.629 41 A CB -0.858 18.121 19.000 -0.035 0.000 0.826 41 A HN 0.097 nan 8.150 nan 0.000 0.447 42 V N 0.073 119.980 119.914 -0.011 0.000 2.332 42 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 42 V C 2.511 178.601 176.094 -0.006 0.000 1.055 42 V CA 2.406 64.706 62.300 -0.000 0.000 1.038 42 V CB -0.861 30.968 31.823 0.009 0.000 0.651 42 V HN 0.771 nan 8.190 nan 0.000 0.450 43 E N 0.173 120.362 120.200 -0.019 0.000 2.038 43 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 43 E C 2.099 178.684 176.600 -0.024 0.000 1.000 43 E CA 1.360 57.743 56.400 -0.029 0.000 0.803 43 E CB -0.090 29.578 29.700 -0.052 0.000 0.750 43 E HN 0.527 nan 8.360 nan 0.000 0.448 44 E N -0.337 119.847 120.200 -0.026 0.000 2.455 44 E HA -0.170 4.180 4.350 -0.000 0.000 0.202 44 E C 1.364 177.958 176.600 -0.011 0.000 1.045 44 E CA 0.816 57.203 56.400 -0.021 0.000 0.872 44 E CB 0.016 29.702 29.700 -0.023 0.000 0.792 44 E HN 0.373 nan 8.360 nan 0.000 0.542 45 A N -0.536 122.281 122.820 -0.004 0.000 2.115 45 A HA 0.088 4.408 4.320 -0.000 0.000 0.211 45 A C 1.837 179.429 177.584 0.013 0.000 1.169 45 A CA 0.301 52.340 52.037 0.004 0.000 0.787 45 A CB 0.266 19.270 19.000 0.006 0.000 0.858 45 A HN 0.145 nan 8.150 nan 0.000 0.474 46 L N -1.416 119.818 121.223 0.018 0.000 2.609 46 L HA 0.285 4.625 4.340 -0.000 0.000 0.230 46 L C 1.821 178.721 176.870 0.049 0.000 1.064 46 L CA 0.821 55.685 54.840 0.040 0.000 0.873 46 L CB -0.384 41.710 42.059 0.058 0.000 1.139 46 L HN 0.272 nan 8.230 nan 0.000 0.490 47 K N 0.845 121.256 120.400 0.018 0.000 2.108 47 K HA -0.316 4.004 4.320 -0.000 0.000 0.219 47 K C 1.836 178.464 176.600 0.046 0.000 1.054 47 K CA 2.429 58.720 56.287 0.006 0.000 0.945 47 K CB -0.243 32.242 32.500 -0.025 0.000 0.728 47 K HN 0.454 nan 8.250 nan 0.000 0.462 48 S N -1.138 114.581 115.700 0.032 0.000 2.660 48 S HA -0.056 4.414 4.470 -0.000 0.000 0.228 48 S C 1.245 175.872 174.600 0.044 0.000 0.966 48 S CA 1.046 59.264 58.200 0.030 0.000 0.940 48 S CB -0.067 63.138 63.200 0.009 0.000 0.773 48 S HN 0.547 nan 8.310 nan 0.000 0.535 49 T N -3.660 110.938 114.554 0.074 0.000 3.043 49 T HA 0.286 4.636 4.350 -0.000 0.000 0.272 49 T C 0.226 174.988 174.700 0.104 0.000 0.990 49 T CA -0.649 61.491 62.100 0.065 0.000 0.897 49 T CB -0.451 68.446 68.868 0.049 0.000 1.111 49 T HN 0.309 nan 8.240 nan 0.000 0.529 50 Y N 2.754 123.055 120.300 0.002 0.000 2.223 50 Y HA 0.411 4.961 4.550 -0.000 0.000 0.352 50 Y C 1.256 177.161 175.900 0.009 0.000 1.293 50 Y CA 1.155 59.260 58.100 0.010 0.000 1.601 50 Y CB -0.270 38.200 38.460 0.017 0.000 1.407 50 Y HN 0.699 nan 8.280 nan 0.000 0.639 51 G N 1.701 110.226 108.800 -0.459 0.000 2.880 51 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.617 51 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.617 51 G C -2.167 172.640 174.900 -0.155 0.000 1.493 51 G CA -0.423 44.537 45.100 -0.233 0.000 0.916 51 G HN 0.649 nan 8.290 nan 0.000 0.553 52 P HA 0.066 nan 4.420 nan 0.000 0.240 52 P C 0.931 178.221 177.300 -0.016 0.000 1.190 52 P CA 0.732 63.807 63.100 -0.042 0.000 0.781 52 P CB 0.364 32.066 31.700 0.003 0.000 0.931 53 R N 0.232 120.709 120.500 -0.038 0.000 2.748 53 R HA 0.387 4.727 4.340 -0.000 0.000 0.395 53 R C 0.817 177.080 176.300 -0.062 0.000 1.128 53 R CA -0.237 55.821 56.100 -0.070 0.000 1.042 53 R CB 0.073 30.268 30.300 -0.174 0.000 1.392 53 R HN 0.046 nan 8.270 nan 0.000 0.582 54 G N 0.360 109.140 108.800 -0.034 0.000 2.570 54 G HA2 0.140 4.100 3.960 -0.000 0.000 0.276 54 G HA3 0.140 4.100 3.960 -0.000 0.000 0.276 54 G C 0.131 175.019 174.900 -0.019 0.000 1.346 54 G CA -0.475 44.617 45.100 -0.013 0.000 1.034 54 G HN 0.064 nan 8.290 nan 0.000 0.512 55 M N -0.347 119.249 119.600 -0.007 0.000 2.363 55 M HA 0.400 4.880 4.480 -0.000 0.000 0.280 55 M C -0.566 175.730 176.300 -0.006 0.000 1.182 55 M CA -0.374 54.919 55.300 -0.012 0.000 0.974 55 M CB 1.083 33.677 32.600 -0.010 0.000 1.452 55 M HN 0.329 nan 8.290 nan 0.000 0.507 56 D N 0.709 121.105 120.400 -0.008 0.000 2.481 56 D HA 0.394 5.034 4.640 -0.000 0.000 0.244 56 D C -0.640 175.658 176.300 -0.004 0.000 1.057 56 D CA -0.445 53.551 54.000 -0.005 0.000 0.848 56 D CB 1.925 42.719 40.800 -0.009 0.000 1.388 56 D HN 0.130 nan 8.370 nan 0.000 0.475 57 K N 1.287 121.686 120.400 -0.001 0.000 2.164 57 K HA 0.452 4.772 4.320 -0.000 0.000 0.258 57 K C -0.206 176.393 176.600 -0.002 0.000 0.951 57 K CA -0.605 55.681 56.287 -0.000 0.000 0.844 57 K CB 2.499 35.002 32.500 0.003 0.000 1.099 57 K HN 0.450 nan 8.250 nan 0.000 0.435 58 M N 3.655 123.253 119.600 -0.003 0.000 2.404 58 M HA 0.412 4.892 4.480 -0.000 0.000 0.338 58 M C -1.437 174.862 176.300 -0.002 0.000 1.150 58 M CA -0.678 54.620 55.300 -0.003 0.000 1.016 58 M CB 0.822 33.419 32.600 -0.005 0.000 1.672 58 M HN 0.420 nan 8.290 nan 0.000 0.448 59 L N 5.591 126.812 121.223 -0.002 0.000 2.404 59 L HA 0.524 4.864 4.340 -0.000 0.000 0.272 59 L C -1.255 175.613 176.870 -0.002 0.000 0.980 59 L CA -0.924 53.915 54.840 -0.001 0.000 0.836 59 L CB 1.901 43.960 42.059 -0.000 0.000 1.238 59 L HN 0.419 nan 8.230 nan 0.000 0.408 60 V N 1.680 121.592 119.914 -0.002 0.000 2.328 60 V HA 0.182 4.302 4.120 -0.000 0.000 0.278 60 V C 0.083 176.176 176.094 -0.002 0.000 1.021 60 V CA -0.550 61.749 62.300 -0.002 0.000 0.838 60 V CB 1.451 33.272 31.823 -0.003 0.000 0.999 60 V HN 0.639 nan 8.190 nan 0.000 0.447 61 D N 3.198 123.597 120.400 -0.002 0.000 2.419 61 D HA -0.038 4.602 4.640 -0.000 0.000 0.236 61 D C 1.455 177.755 176.300 -0.001 0.000 1.165 61 D CA 0.675 54.674 54.000 -0.001 0.000 0.882 61 D CB 1.496 42.294 40.800 -0.002 0.000 1.201 61 D HN 0.464 nan 8.370 nan 0.000 0.443 62 S N 1.840 117.540 115.700 -0.001 0.000 2.419 62 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 62 S C 1.986 176.585 174.600 -0.001 0.000 1.016 62 S CA 0.499 58.698 58.200 -0.001 0.000 0.974 62 S CB -0.324 62.876 63.200 -0.000 0.000 0.786 62 S HN 0.549 nan 8.310 nan 0.000 0.492 63 L N -0.060 121.162 121.223 -0.002 0.000 2.191 63 L HA 0.065 4.405 4.340 -0.000 0.000 0.212 63 L C 1.665 178.534 176.870 -0.003 0.000 1.103 63 L CA 1.310 56.149 54.840 -0.002 0.000 0.769 63 L CB -0.268 41.789 42.059 -0.003 0.000 0.908 63 L HN 0.604 nan 8.230 nan 0.000 0.438 64 G N -1.596 107.202 108.800 -0.003 0.000 2.380 64 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.197 64 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.197 64 G C -0.153 174.745 174.900 -0.004 0.000 1.001 64 G CA -0.048 45.050 45.100 -0.003 0.000 0.668 64 G HN 0.322 nan 8.290 nan 0.000 0.483 65 D N 2.543 122.941 120.400 -0.004 0.000 2.389 65 D HA 0.418 5.058 4.640 -0.000 0.000 0.247 65 D C 0.911 177.208 176.300 -0.004 0.000 1.128 65 D CA 0.374 54.371 54.000 -0.004 0.000 0.884 65 D CB 1.446 42.243 40.800 -0.005 0.000 1.194 65 D HN 0.549 nan 8.370 nan 0.000 0.441 66 I N -0.902 119.665 120.570 -0.005 0.000 2.460 66 I HA 0.483 4.653 4.170 -0.000 0.000 0.298 66 I C -0.431 175.683 176.117 -0.006 0.000 0.989 66 I CA -0.519 60.778 61.300 -0.005 0.000 1.173 66 I CB 1.197 39.194 38.000 -0.005 0.000 1.338 66 I HN 0.022 nan 8.210 nan 0.000 0.456 67 T N 7.605 122.156 114.554 -0.005 0.000 2.949 67 T HA 0.557 4.907 4.350 -0.000 0.000 0.300 67 T C -0.022 174.675 174.700 -0.005 0.000 0.988 67 T CA -0.378 61.719 62.100 -0.005 0.000 0.993 67 T CB 1.310 70.176 68.868 -0.005 0.000 0.984 67 T HN 0.655 nan 8.240 nan 0.000 0.442 68 I N 0.849 121.415 120.570 -0.006 0.000 2.336 68 I HA 0.890 5.060 4.170 -0.000 0.000 0.292 68 I C -0.068 176.045 176.117 -0.006 0.000 0.991 68 I CA -0.428 60.869 61.300 -0.006 0.000 1.227 68 I CB 1.781 39.777 38.000 -0.007 0.000 1.366 68 I HN 0.521 nan 8.210 nan 0.000 0.466 69 T N 3.026 117.578 114.554 -0.004 0.000 2.711 69 T HA 0.372 4.722 4.350 -0.000 0.000 0.302 69 T C -0.763 173.936 174.700 -0.001 0.000 1.373 69 T CA -0.586 61.511 62.100 -0.004 0.000 1.000 69 T CB 1.651 70.516 68.868 -0.004 0.000 1.483 69 T HN 0.916 nan 8.240 nan 0.000 0.499 70 N N 0.994 119.694 118.700 -0.001 0.000 2.390 70 N HA 0.124 4.864 4.740 -0.000 0.000 0.259 70 N C -1.129 174.384 175.510 0.004 0.000 1.395 70 N CA -0.397 52.655 53.050 0.003 0.000 0.852 70 N CB 0.582 39.068 38.487 -0.001 0.000 1.371 70 N HN 0.590 nan 8.380 nan 0.000 0.491 71 D N 0.472 120.874 120.400 0.003 0.000 2.280 71 D HA 0.267 4.906 4.640 -0.000 0.000 0.243 71 D C 1.221 177.528 176.300 0.012 0.000 1.129 71 D CA -0.196 53.806 54.000 0.003 0.000 0.848 71 D CB 1.712 42.511 40.800 -0.001 0.000 1.107 71 D HN 0.261 nan 8.370 nan 0.000 0.471 72 G N 3.785 112.596 108.800 0.019 0.000 2.553 72 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.218 72 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.218 72 G C 1.430 176.343 174.900 0.022 0.000 1.195 72 G CA 1.538 46.654 45.100 0.028 0.000 0.779 72 G HN 0.660 nan 8.290 nan 0.000 0.577 73 A N 0.204 123.035 122.820 0.018 0.000 1.870 73 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 73 A C 2.535 180.127 177.584 0.013 0.000 1.224 73 A CA 3.180 55.227 52.037 0.016 0.000 0.650 73 A CB -1.438 17.569 19.000 0.012 0.000 0.836 73 A HN 0.360 nan 8.150 nan 0.000 0.454 74 T N 0.459 115.019 114.554 0.010 0.000 2.699 74 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 74 T C 1.699 176.405 174.700 0.009 0.000 1.036 74 T CA 1.532 63.636 62.100 0.008 0.000 1.147 74 T CB -0.366 68.505 68.868 0.004 0.000 0.862 74 T HN 0.357 nan 8.240 nan 0.000 0.446 75 I N 0.303 120.880 120.570 0.012 0.000 2.614 75 I HA -0.021 4.149 4.170 -0.000 0.000 0.258 75 I C 1.744 177.870 176.117 0.015 0.000 1.189 75 I CA 1.114 62.422 61.300 0.013 0.000 1.462 75 I CB -0.895 37.115 38.000 0.017 0.000 1.092 75 I HN 0.247 nan 8.210 nan 0.000 0.442 76 L N -0.313 120.920 121.223 0.016 0.000 2.425 76 L HA 0.062 4.402 4.340 -0.000 0.000 0.215 76 L C 1.925 178.804 176.870 0.014 0.000 1.065 76 L CA 0.890 55.741 54.840 0.017 0.000 0.842 76 L CB -0.477 41.595 42.059 0.021 0.000 1.033 76 L HN 0.010 nan 8.230 nan 0.000 0.474 77 D N 0.175 120.583 120.400 0.013 0.000 2.097 77 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 77 D C 1.804 178.110 176.300 0.009 0.000 0.984 77 D CA 1.024 55.030 54.000 0.010 0.000 0.826 77 D CB -0.010 40.796 40.800 0.009 0.000 0.973 77 D HN 0.067 nan 8.370 nan 0.000 0.460 78 K N -0.050 120.355 120.400 0.008 0.000 2.486 78 K HA 0.047 4.367 4.320 -0.000 0.000 0.194 78 K C 0.808 177.412 176.600 0.007 0.000 1.033 78 K CA -0.009 56.282 56.287 0.006 0.000 1.004 78 K CB 0.084 32.586 32.500 0.004 0.000 0.798 78 K HN 0.274 nan 8.250 nan 0.000 0.495 79 M N 1.904 121.509 119.600 0.009 0.000 2.036 79 M HA 0.169 4.649 4.480 -0.000 0.000 0.337 79 M C -1.541 174.766 176.300 0.012 0.000 1.012 79 M CA -0.496 54.810 55.300 0.010 0.000 0.962 79 M CB 0.757 33.364 32.600 0.011 0.000 1.423 79 M HN -0.204 nan 8.290 nan 0.000 0.405 80 D N 4.898 125.304 120.400 0.011 0.000 2.383 80 D HA 0.365 5.005 4.640 -0.000 0.000 0.252 80 D C -0.932 175.378 176.300 0.017 0.000 1.166 80 D CA 0.206 54.214 54.000 0.013 0.000 0.879 80 D CB 0.749 41.556 40.800 0.011 0.000 1.164 80 D HN 0.443 nan 8.370 nan 0.000 0.462 81 L N 1.339 122.575 121.223 0.021 0.000 2.330 81 L HA 0.508 4.848 4.340 -0.000 0.000 0.271 81 L C 0.714 177.604 176.870 0.033 0.000 1.013 81 L CA -0.575 54.284 54.840 0.031 0.000 0.816 81 L CB 1.049 43.130 42.059 0.037 0.000 1.287 81 L HN 0.253 nan 8.230 nan 0.000 0.435 82 Q N -0.067 119.761 119.800 0.047 0.000 2.581 82 Q HA 0.062 4.402 4.340 -0.000 0.000 0.222 82 Q C -0.054 175.969 176.000 0.039 0.000 0.904 82 Q CA 0.226 56.050 55.803 0.036 0.000 0.923 82 Q CB 0.210 28.969 28.738 0.035 0.000 1.117 82 Q HN 0.884 nan 8.270 nan 0.000 0.618 83 H N 3.487 122.558 119.070 0.002 0.000 3.173 83 H HA -0.073 4.483 4.556 -0.000 0.000 0.311 83 H C -1.425 173.905 175.328 0.003 0.000 0.972 83 H CA 0.113 56.163 56.048 0.002 0.000 1.384 83 H CB 0.931 30.694 29.762 0.001 0.000 1.349 83 H HN 0.125 nan 8.280 nan 0.000 0.582 84 P HA -0.287 nan 4.420 nan 0.000 0.215 84 P C 1.160 178.419 177.300 -0.068 0.000 1.157 84 P CA 2.183 65.151 63.100 -0.219 0.000 0.874 84 P CB -0.086 31.449 31.700 -0.276 0.000 0.790 85 A N 1.015 123.845 122.820 0.017 0.000 1.884 85 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 85 A C 2.633 180.278 177.584 0.102 0.000 1.197 85 A CA 3.116 55.232 52.037 0.131 0.000 0.637 85 A CB -1.747 17.415 19.000 0.269 0.000 0.827 85 A HN 0.288 nan 8.150 nan 0.000 0.450 86 A N -0.451 122.451 122.820 0.137 0.000 1.873 86 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 86 A C 2.117 179.731 177.584 0.050 0.000 1.193 86 A CA 2.071 54.158 52.037 0.084 0.000 0.629 86 A CB -0.592 18.463 19.000 0.093 0.000 0.826 86 A HN 0.571 nan 8.150 nan 0.000 0.447 87 K N -1.103 119.318 120.400 0.036 0.000 2.152 87 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 87 K C 1.847 178.460 176.600 0.021 0.000 1.048 87 K CA 1.295 57.594 56.287 0.021 0.000 0.933 87 K CB -0.341 32.162 32.500 0.005 0.000 0.721 87 K HN 0.392 nan 8.250 nan 0.000 0.447 88 L N 1.140 122.377 121.223 0.022 0.000 2.072 88 L HA -0.106 4.233 4.340 -0.000 0.000 0.205 88 L C 2.007 178.897 176.870 0.032 0.000 1.079 88 L CA 1.249 56.103 54.840 0.024 0.000 0.752 88 L CB -0.538 41.535 42.059 0.023 0.000 0.906 88 L HN 0.075 nan 8.230 nan 0.000 0.436 89 L N -0.591 120.655 121.223 0.038 0.000 1.988 89 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 89 L C 2.592 179.484 176.870 0.037 0.000 1.071 89 L CA 2.340 57.203 54.840 0.039 0.000 0.744 89 L CB -1.016 41.065 42.059 0.038 0.000 0.893 89 L HN 0.260 nan 8.230 nan 0.000 0.433 90 V N -1.801 118.133 119.914 0.034 0.000 2.469 90 V HA -0.335 3.785 4.120 -0.000 0.000 0.251 90 V C 2.388 178.499 176.094 0.029 0.000 1.064 90 V CA 2.127 64.446 62.300 0.031 0.000 1.066 90 V CB -1.447 30.393 31.823 0.028 0.000 0.667 90 V HN 0.786 nan 8.190 nan 0.000 0.461 91 Q N 0.321 120.137 119.800 0.027 0.000 2.124 91 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 91 Q C 2.196 178.214 176.000 0.029 0.000 0.977 91 Q CA 2.561 58.379 55.803 0.025 0.000 0.850 91 Q CB -0.204 28.547 28.738 0.022 0.000 0.901 91 Q HN 0.787 nan 8.270 nan 0.000 0.429 92 I N 0.271 120.861 120.570 0.033 0.000 2.406 92 I HA -0.150 4.020 4.170 -0.000 0.000 0.249 92 I C 2.424 178.565 176.117 0.040 0.000 1.122 92 I CA 0.684 62.007 61.300 0.038 0.000 1.431 92 I CB -0.440 37.586 38.000 0.044 0.000 1.087 92 I HN 0.223 nan 8.210 nan 0.000 0.424 93 A N 1.374 124.218 122.820 0.041 0.000 1.832 93 A HA -0.178 4.142 4.320 -0.000 0.000 0.214 93 A C 2.373 179.978 177.584 0.036 0.000 1.200 93 A CA 1.492 53.554 52.037 0.043 0.000 0.610 93 A CB -0.502 18.525 19.000 0.045 0.000 0.842 93 A HN 0.212 nan 8.150 nan 0.000 0.444 94 K N -0.807 119.613 120.400 0.032 0.000 1.978 94 K HA -0.113 4.207 4.320 -0.000 0.000 0.214 94 K C 1.472 178.087 176.600 0.026 0.000 1.049 94 K CA 1.174 57.477 56.287 0.027 0.000 0.939 94 K CB -0.692 31.822 32.500 0.023 0.000 0.721 94 K HN 0.433 nan 8.250 nan 0.000 0.441 95 G N 2.548 111.364 108.800 0.026 0.000 3.180 95 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.252 95 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.252 95 G C 0.261 175.178 174.900 0.029 0.000 0.871 95 G CA -0.035 45.081 45.100 0.026 0.000 1.979 95 G HN 0.303 nan 8.290 nan 0.000 0.624 96 Q N -0.487 119.330 119.800 0.030 0.000 2.669 96 Q HA -0.000 4.340 4.340 -0.000 0.000 0.257 96 Q C 0.629 176.648 176.000 0.031 0.000 1.187 96 Q CA 0.565 56.388 55.803 0.032 0.000 1.136 96 Q CB 0.267 29.023 28.738 0.031 0.000 2.646 96 Q HN 0.344 nan 8.270 nan 0.000 0.592 97 D N -0.818 119.600 120.400 0.031 0.000 2.369 97 D HA 0.147 4.787 4.640 -0.000 0.000 0.211 97 D C -0.393 175.926 176.300 0.032 0.000 1.077 97 D CA 0.198 54.218 54.000 0.032 0.000 0.842 97 D CB 0.667 41.487 40.800 0.033 0.000 0.947 97 D HN 0.154 nan 8.370 nan 0.000 0.509 98 E N -1.025 119.192 120.200 0.028 0.000 2.269 98 E HA 0.205 4.555 4.350 -0.000 0.000 0.243 98 E C 0.330 176.943 176.600 0.022 0.000 1.114 98 E CA -0.555 55.861 56.400 0.028 0.000 0.896 98 E CB 0.714 30.429 29.700 0.025 0.000 1.811 98 E HN -0.283 nan 8.360 nan 0.000 0.472 99 E N 0.179 120.389 120.200 0.017 0.000 1.949 99 E HA -0.085 4.265 4.350 -0.000 0.000 0.205 99 E C 0.335 176.937 176.600 0.004 0.000 0.957 99 E CA 1.142 57.547 56.400 0.009 0.000 0.886 99 E CB -1.111 28.589 29.700 -0.000 0.000 0.824 99 E HN 0.520 nan 8.360 nan 0.000 0.555 100 T N -0.013 114.539 114.554 -0.004 0.000 2.870 100 T HA -0.074 4.276 4.350 -0.000 0.000 0.311 100 T C 0.899 175.598 174.700 -0.001 0.000 1.052 100 T CA 0.562 62.657 62.100 -0.007 0.000 1.131 100 T CB 0.397 69.255 68.868 -0.015 0.000 1.082 100 T HN 0.356 nan 8.240 nan 0.000 0.511 101 A N 3.744 126.563 122.820 -0.002 0.000 2.208 101 A HA 0.197 4.517 4.320 -0.000 0.000 0.209 101 A C 0.718 178.305 177.584 0.005 0.000 1.161 101 A CA 0.230 52.269 52.037 0.004 0.000 0.782 101 A CB -0.274 18.728 19.000 0.003 0.000 0.816 101 A HN 0.911 nan 8.150 nan 0.000 0.477 102 D N -1.230 119.167 120.400 -0.004 0.000 2.400 102 D HA 0.389 5.029 4.640 -0.000 0.000 0.238 102 D C 1.405 177.709 176.300 0.006 0.000 1.157 102 D CA 1.675 55.670 54.000 -0.008 0.000 0.889 102 D CB 0.330 41.115 40.800 -0.024 0.000 1.199 102 D HN 0.332 nan 8.370 nan 0.000 0.436 103 G N 0.516 109.325 108.800 0.015 0.000 2.234 103 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.260 103 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.260 103 G C 1.330 176.266 174.900 0.060 0.000 0.987 103 G CA 1.058 46.181 45.100 0.040 0.000 0.625 103 G HN 0.645 nan 8.290 nan 0.000 0.532 104 T N -1.301 113.282 114.554 0.049 0.000 2.867 104 T HA 0.049 4.399 4.350 -0.000 0.000 0.268 104 T C 1.970 176.716 174.700 0.078 0.000 1.057 104 T CA 1.865 63.997 62.100 0.055 0.000 1.136 104 T CB -0.100 68.793 68.868 0.041 0.000 0.874 104 T HN 0.496 nan 8.240 nan 0.000 0.466 105 K N 0.830 121.285 120.400 0.092 0.000 2.097 105 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 105 K C 2.350 179.075 176.600 0.208 0.000 1.049 105 K CA 1.521 57.890 56.287 0.138 0.000 0.933 105 K CB -0.384 32.202 32.500 0.143 0.000 0.717 105 K HN 0.351 nan 8.250 nan 0.000 0.442 106 T N 0.436 115.135 114.554 0.243 0.000 2.698 106 T HA -0.087 4.263 4.350 -0.000 0.000 0.260 106 T C 1.807 176.600 174.700 0.155 0.000 1.044 106 T CA 1.258 63.525 62.100 0.278 0.000 1.149 106 T CB -0.467 68.545 68.868 0.241 0.000 0.864 106 T HN 0.387 nan 8.240 nan 0.000 0.419 107 A N 0.979 123.867 122.820 0.114 0.000 1.929 107 A HA -0.183 4.137 4.320 -0.000 0.000 0.221 107 A C 2.574 180.228 177.584 0.116 0.000 1.211 107 A CA 2.382 54.481 52.037 0.104 0.000 0.657 107 A CB -1.382 17.662 19.000 0.073 0.000 0.827 107 A HN 0.374 nan 8.150 nan 0.000 0.462 108 V N 0.109 120.076 119.914 0.088 0.000 2.283 108 V HA -0.156 3.964 4.120 -0.000 0.000 0.243 108 V C 2.256 178.370 176.094 0.034 0.000 1.039 108 V CA 1.892 64.227 62.300 0.058 0.000 1.016 108 V CB -0.496 31.355 31.823 0.047 0.000 0.650 108 V HN 0.508 nan 8.190 nan 0.000 0.449 109 I N 0.119 120.701 120.570 0.020 0.000 2.091 109 I HA -0.275 3.895 4.170 -0.000 0.000 0.239 109 I C 2.435 178.518 176.117 -0.057 0.000 1.061 109 I CA 2.445 63.709 61.300 -0.059 0.000 1.317 109 I CB -1.785 36.098 38.000 -0.195 0.000 1.031 109 I HN 0.477 nan 8.210 nan 0.000 0.401 110 F N 1.320 121.183 119.950 -0.146 0.000 2.161 110 F HA -0.267 4.260 4.527 -0.000 0.000 0.300 110 F C 2.930 178.638 175.800 -0.153 0.000 1.089 110 F CA 1.927 59.834 58.000 -0.154 0.000 1.282 110 F CB -0.220 38.710 39.000 -0.117 0.000 1.010 110 F HN 0.020 nan 8.300 nan 0.000 0.485 111 S N -0.032 115.678 115.700 0.017 0.000 2.351 111 S HA -0.176 4.294 4.470 -0.000 0.000 0.220 111 S C 2.342 176.853 174.600 -0.148 0.000 1.035 111 S CA 1.690 59.861 58.200 -0.049 0.000 1.031 111 S CB -1.258 61.961 63.200 0.030 0.000 0.928 111 S HN 0.566 nan 8.310 nan 0.000 0.433 112 G N 1.010 109.744 108.800 -0.110 0.000 2.448 112 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.219 112 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.219 112 G C 1.421 176.218 174.900 -0.171 0.000 1.127 112 G CA 0.568 45.601 45.100 -0.112 0.000 0.766 112 G HN 0.479 nan 8.290 nan 0.000 0.552 113 E N -0.004 120.041 120.200 -0.260 0.000 2.106 113 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 113 E C 2.573 178.959 176.600 -0.357 0.000 0.984 113 E CA 0.421 56.639 56.400 -0.302 0.000 0.806 113 E CB -0.164 29.319 29.700 -0.361 0.000 0.750 113 E HN 0.299 nan 8.360 nan 0.000 0.458 114 L N 0.343 121.256 121.223 -0.518 0.000 2.046 114 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 114 L C 2.478 179.278 176.870 -0.116 0.000 1.077 114 L CA 1.041 55.598 54.840 -0.472 0.000 0.747 114 L CB -0.992 40.656 42.059 -0.685 0.000 0.896 114 L HN -0.040 nan 8.230 nan 0.000 0.432 115 V N -0.653 119.199 119.914 -0.105 0.000 2.287 115 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 115 V C 2.464 178.534 176.094 -0.041 0.000 1.053 115 V CA 1.726 64.007 62.300 -0.033 0.000 1.027 115 V CB -0.710 31.087 31.823 -0.043 0.000 0.646 115 V HN 0.425 nan 8.190 nan 0.000 0.447 116 K N 0.155 120.509 120.400 -0.078 0.000 1.978 116 K HA -0.184 4.135 4.320 -0.000 0.000 0.214 116 K C 2.246 178.815 176.600 -0.051 0.000 1.049 116 K CA 1.453 57.699 56.287 -0.068 0.000 0.939 116 K CB -0.342 32.105 32.500 -0.089 0.000 0.721 116 K HN 0.248 nan 8.250 nan 0.000 0.441 117 K N 0.448 120.810 120.400 -0.064 0.000 2.281 117 K HA -0.115 4.205 4.320 -0.000 0.000 0.203 117 K C 1.956 178.572 176.600 0.026 0.000 1.046 117 K CA 1.198 57.467 56.287 -0.030 0.000 0.938 117 K CB -0.223 32.245 32.500 -0.053 0.000 0.737 117 K HN 0.232 nan 8.250 nan 0.000 0.458 118 A N 0.899 123.750 122.820 0.052 0.000 1.970 118 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 118 A C 2.123 179.703 177.584 -0.007 0.000 1.170 118 A CA 0.995 53.052 52.037 0.034 0.000 0.645 118 A CB -0.210 18.813 19.000 0.039 0.000 0.816 118 A HN 0.370 nan 8.150 nan 0.000 0.447 119 E N 0.273 120.470 120.200 -0.004 0.000 2.085 119 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 119 E C 0.967 177.584 176.600 0.028 0.000 0.994 119 E CA 1.342 57.744 56.400 0.003 0.000 0.801 119 E CB -0.104 29.590 29.700 -0.009 0.000 0.743 119 E HN 0.545 nan 8.360 nan 0.000 0.453 120 D N 0.327 120.733 120.400 0.011 0.000 2.263 120 D HA -0.154 4.486 4.640 -0.000 0.000 0.208 120 D C 1.832 178.177 176.300 0.074 0.000 0.971 120 D CA 0.521 54.533 54.000 0.021 0.000 0.867 120 D CB 0.127 40.914 40.800 -0.021 0.000 0.929 120 D HN 0.248 nan 8.370 nan 0.000 0.492 121 L N 0.492 121.739 121.223 0.041 0.000 2.095 121 L HA -0.074 4.266 4.340 -0.000 0.000 0.204 121 L C 2.317 179.209 176.870 0.036 0.000 1.080 121 L CA 0.650 55.507 54.840 0.029 0.000 0.759 121 L CB -0.774 41.272 42.059 -0.022 0.000 0.914 121 L HN 0.101 nan 8.230 nan 0.000 0.439 122 L N -1.323 119.917 121.223 0.028 0.000 2.131 122 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 122 L C 2.498 179.398 176.870 0.051 0.000 1.092 122 L CA 1.572 56.422 54.840 0.018 0.000 0.759 122 L CB -1.652 40.410 42.059 0.004 0.000 0.903 122 L HN 0.258 nan 8.230 nan 0.000 0.435 123 Y N 1.386 121.672 120.300 -0.023 0.000 2.224 123 Y HA -0.226 4.324 4.550 -0.000 0.000 0.289 123 Y C 2.339 178.232 175.900 -0.012 0.000 1.146 123 Y CA 1.659 59.749 58.100 -0.017 0.000 1.182 123 Y CB 0.012 38.462 38.460 -0.016 0.000 0.983 123 Y HN 0.080 nan 8.280 nan 0.000 0.524 124 K N 0.481 120.961 120.400 0.133 0.000 2.525 124 K HA -0.078 4.242 4.320 -0.000 0.000 0.192 124 K C -0.084 176.509 176.600 -0.012 0.000 1.029 124 K CA 0.938 57.260 56.287 0.057 0.000 1.029 124 K CB -0.184 32.367 32.500 0.084 0.000 0.814 124 K HN 0.310 nan 8.250 nan 0.000 0.503 125 D N 0.524 120.905 120.400 -0.032 0.000 2.760 125 D HA -0.131 4.509 4.640 -0.000 0.000 0.244 125 D C -1.064 175.236 176.300 0.000 0.000 1.123 125 D CA 0.412 54.395 54.000 -0.030 0.000 0.719 125 D CB -0.747 40.022 40.800 -0.052 0.000 1.045 125 D HN 0.062 nan 8.370 nan 0.000 0.426 126 V N 0.148 120.067 119.914 0.008 0.000 2.378 126 V HA 0.590 4.710 4.120 -0.000 0.000 0.288 126 V C 0.521 176.638 176.094 0.037 0.000 1.016 126 V CA -1.028 61.284 62.300 0.020 0.000 0.840 126 V CB 1.524 33.347 31.823 -0.001 0.000 0.994 126 V HN 0.350 nan 8.190 nan 0.000 0.431 127 H N 8.673 127.721 119.070 -0.036 0.000 3.173 127 H HA 0.091 4.647 4.556 -0.000 0.000 0.311 127 H C -1.307 173.992 175.328 -0.048 0.000 0.972 127 H CA 0.005 56.032 56.048 -0.036 0.000 1.384 127 H CB 1.242 30.987 29.762 -0.029 0.000 1.349 127 H HN 0.556 nan 8.280 nan 0.000 0.582 128 P HA -0.192 nan 4.420 nan 0.000 0.219 128 P C 1.425 178.571 177.300 -0.256 0.000 1.146 128 P CA 1.538 64.443 63.100 -0.325 0.000 0.808 128 P CB 0.192 31.693 31.700 -0.333 0.000 0.779 129 T N -0.674 113.717 114.554 -0.271 0.000 2.833 129 T HA -0.076 4.274 4.350 -0.000 0.000 0.269 129 T C 1.741 176.449 174.700 0.014 0.000 1.054 129 T CA 0.836 62.933 62.100 -0.005 0.000 1.135 129 T CB -0.402 68.625 68.868 0.265 0.000 0.869 129 T HN -0.132 nan 8.240 nan 0.000 0.466 130 I N 0.855 121.436 120.570 0.019 0.000 2.277 130 I HA 0.003 4.173 4.170 -0.000 0.000 0.243 130 I C 2.314 178.382 176.117 -0.080 0.000 1.094 130 I CA 1.053 62.349 61.300 -0.005 0.000 1.393 130 I CB -1.172 36.838 38.000 0.016 0.000 1.078 130 I HN 0.331 nan 8.210 nan 0.000 0.417 131 I N 0.709 121.183 120.570 -0.160 0.000 2.423 131 I HA -0.288 3.882 4.170 -0.000 0.000 0.254 131 I C 2.466 178.338 176.117 -0.407 0.000 1.151 131 I CA 0.980 62.074 61.300 -0.342 0.000 1.421 131 I CB -0.258 37.495 38.000 -0.412 0.000 1.079 131 I HN 0.133 nan 8.210 nan 0.000 0.431 132 I N 0.400 120.855 120.570 -0.193 0.000 2.163 132 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 132 I C 2.668 178.807 176.117 0.036 0.000 1.081 132 I CA 1.489 62.754 61.300 -0.059 0.000 1.353 132 I CB -1.201 36.790 38.000 -0.015 0.000 1.054 132 I HN 0.170 nan 8.210 nan 0.000 0.407 133 S N 1.148 116.861 115.700 0.021 0.000 2.370 133 S HA -0.121 4.349 4.470 -0.000 0.000 0.226 133 S C 2.160 176.802 174.600 0.070 0.000 1.033 133 S CA 1.299 59.529 58.200 0.050 0.000 1.011 133 S CB -0.871 62.349 63.200 0.033 0.000 0.852 133 S HN 0.619 nan 8.310 nan 0.000 0.457 134 G N 0.511 109.334 108.800 0.037 0.000 2.514 134 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 134 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 134 G C 1.178 176.224 174.900 0.244 0.000 1.198 134 G CA 0.860 46.006 45.100 0.076 0.000 0.780 134 G HN 0.575 nan 8.290 nan 0.000 0.565 135 Y N 0.569 120.953 120.300 0.139 0.000 2.165 135 Y HA -0.168 4.382 4.550 -0.000 0.000 0.286 135 Y C 3.110 179.108 175.900 0.163 0.000 1.155 135 Y CA 1.120 59.393 58.100 0.287 0.000 1.164 135 Y CB -0.037 38.609 38.460 0.310 0.000 0.978 135 Y HN 0.097 nan 8.280 nan 0.000 0.513 136 K N 1.000 121.568 120.400 0.279 0.000 1.978 136 K HA -0.179 4.141 4.320 -0.000 0.000 0.214 136 K C 1.794 178.456 176.600 0.102 0.000 1.049 136 K CA 1.649 58.037 56.287 0.168 0.000 0.939 136 K CB -0.320 32.257 32.500 0.128 0.000 0.721 136 K HN 0.143 nan 8.250 nan 0.000 0.441 137 K N -0.186 120.276 120.400 0.103 0.000 2.113 137 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 137 K C 2.107 178.777 176.600 0.118 0.000 1.047 137 K CA 1.399 57.760 56.287 0.123 0.000 0.928 137 K CB -0.229 32.351 32.500 0.133 0.000 0.716 137 K HN 0.198 nan 8.250 nan 0.000 0.446 138 A N 1.535 124.339 122.820 -0.027 0.000 1.930 138 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 138 A C 2.108 179.420 177.584 -0.453 0.000 1.175 138 A CA 1.417 53.294 52.037 -0.266 0.000 0.627 138 A CB -0.369 18.292 19.000 -0.565 0.000 0.815 138 A HN 0.400 nan 8.150 nan 0.000 0.443 139 E N -0.200 119.769 120.200 -0.385 0.000 2.058 139 E HA -0.242 4.107 4.350 -0.000 0.000 0.194 139 E C 1.793 178.352 176.600 -0.070 0.000 0.997 139 E CA 1.307 57.600 56.400 -0.179 0.000 0.801 139 E CB -0.132 29.608 29.700 0.066 0.000 0.746 139 E HN 0.511 nan 8.360 nan 0.000 0.450 140 E N 0.361 120.549 120.200 -0.020 0.000 2.045 140 E HA -0.234 4.116 4.350 -0.000 0.000 0.212 140 E C 2.298 178.878 176.600 -0.033 0.000 1.039 140 E CA 1.616 58.012 56.400 -0.006 0.000 0.860 140 E CB -0.776 28.932 29.700 0.013 0.000 0.776 140 E HN 0.229 nan 8.360 nan 0.000 0.467 141 V N 1.779 121.667 119.914 -0.043 0.000 2.252 141 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 141 V C 2.521 178.585 176.094 -0.050 0.000 1.056 141 V CA 2.222 64.477 62.300 -0.076 0.000 1.022 141 V CB -1.163 30.622 31.823 -0.064 0.000 0.641 141 V HN 0.345 nan 8.190 nan 0.000 0.445 142 A N -0.490 122.293 122.820 -0.061 0.000 1.958 142 A HA -0.248 4.072 4.320 -0.000 0.000 0.221 142 A C 2.175 179.749 177.584 -0.017 0.000 1.178 142 A CA 2.400 54.413 52.037 -0.041 0.000 0.642 142 A CB -0.570 18.382 19.000 -0.079 0.000 0.816 142 A HN 0.438 nan 8.150 nan 0.000 0.453 143 L N 0.162 121.373 121.223 -0.020 0.000 1.993 143 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 143 L C 2.923 179.792 176.870 -0.002 0.000 1.074 143 L CA 2.602 57.439 54.840 -0.004 0.000 0.746 143 L CB -0.928 41.133 42.059 0.003 0.000 0.896 143 L HN 0.700 nan 8.230 nan 0.000 0.435 144 Q N -2.148 117.644 119.800 -0.013 0.000 2.297 144 Q HA -0.204 4.136 4.340 -0.000 0.000 0.208 144 Q C 1.493 177.486 176.000 -0.011 0.000 0.981 144 Q CA 2.011 57.806 55.803 -0.014 0.000 0.876 144 Q CB -0.986 27.732 28.738 -0.032 0.000 0.921 144 Q HN 0.437 nan 8.270 nan 0.000 0.446 145 T N 0.999 115.544 114.554 -0.014 0.000 3.007 145 T HA 0.014 4.364 4.350 -0.000 0.000 0.270 145 T C 1.567 176.278 174.700 0.018 0.000 1.107 145 T CA 0.930 63.025 62.100 -0.008 0.000 1.118 145 T CB -0.059 68.805 68.868 -0.007 0.000 0.889 145 T HN 0.332 nan 8.240 nan 0.000 0.506 146 I N 0.089 120.679 120.570 0.033 0.000 2.731 146 I HA -0.033 4.137 4.170 -0.000 0.000 0.260 146 I C 2.626 178.786 176.117 0.071 0.000 1.138 146 I CA 0.579 61.920 61.300 0.068 0.000 1.461 146 I CB -0.204 37.834 38.000 0.063 0.000 1.128 146 I HN 0.179 nan 8.210 nan 0.000 0.438 147 Q N 1.471 121.298 119.800 0.044 0.000 1.942 147 Q HA -0.220 4.120 4.340 -0.000 0.000 0.203 147 Q C 1.118 177.141 176.000 0.038 0.000 0.987 147 Q CA 1.643 57.471 55.803 0.041 0.000 0.844 147 Q CB -0.347 28.406 28.738 0.024 0.000 0.911 147 Q HN 0.557 nan 8.270 nan 0.000 0.423 148 E N 0.677 120.886 120.200 0.016 0.000 2.888 148 E HA -0.010 4.340 4.350 -0.000 0.000 0.271 148 E C 0.836 177.433 176.600 -0.004 0.000 1.527 148 E CA 0.154 56.555 56.400 0.001 0.000 1.700 148 E CB -0.142 29.548 29.700 -0.017 0.000 1.410 148 E HN 0.343 nan 8.360 nan 0.000 0.445 149 L N -1.090 120.149 121.223 0.028 0.000 3.705 149 L HA 0.263 4.603 4.340 -0.000 0.000 0.382 149 L C 0.312 177.274 176.870 0.153 0.000 0.971 149 L CA 0.283 55.134 54.840 0.019 0.000 1.566 149 L CB 0.023 42.084 42.059 0.003 0.000 2.300 149 L HN 0.229 nan 8.230 nan 0.000 0.609 150 A N 1.104 124.037 122.820 0.189 0.000 2.466 150 A HA 0.367 4.687 4.320 -0.000 0.000 0.238 150 A C -0.247 177.475 177.584 0.230 0.000 1.074 150 A CA 0.352 52.546 52.037 0.262 0.000 0.774 150 A CB 0.275 19.373 19.000 0.164 0.000 1.015 150 A HN 0.464 nan 8.150 nan 0.000 0.498 151 Q N 0.043 119.998 119.800 0.258 0.000 2.274 151 Q HA 0.352 4.692 4.340 -0.000 0.000 0.260 151 Q C -0.714 175.374 176.000 0.146 0.000 0.974 151 Q CA -0.486 55.424 55.803 0.179 0.000 0.876 151 Q CB 1.663 30.476 28.738 0.125 0.000 1.297 151 Q HN 0.749 nan 8.270 nan 0.000 0.446 152 T N 1.640 116.254 114.554 0.100 0.000 2.761 152 T HA 0.128 4.478 4.350 -0.000 0.000 0.287 152 T C -0.351 174.395 174.700 0.077 0.000 0.931 152 T CA -0.097 62.048 62.100 0.075 0.000 1.164 152 T CB 0.174 69.075 68.868 0.054 0.000 0.876 152 T HN 0.253 nan 8.240 nan 0.000 0.534 153 V N 3.799 123.745 119.914 0.053 0.000 2.459 153 V HA 0.687 4.807 4.120 -0.000 0.000 0.295 153 V C -0.210 175.864 176.094 -0.033 0.000 1.029 153 V CA -0.398 61.918 62.300 0.026 0.000 0.874 153 V CB 1.985 33.812 31.823 0.006 0.000 0.985 153 V HN 0.837 nan 8.190 nan 0.000 0.438 154 S N 5.039 120.716 115.700 -0.038 0.000 2.482 154 S HA 0.420 4.889 4.470 -0.000 0.000 0.303 154 S C 0.845 175.375 174.600 -0.117 0.000 1.091 154 S CA -0.641 57.512 58.200 -0.079 0.000 1.057 154 S CB 1.498 64.689 63.200 -0.016 0.000 1.031 154 S HN 0.875 nan 8.310 nan 0.000 0.485 155 I N 4.383 124.816 120.570 -0.228 0.000 2.761 155 I HA -0.226 3.944 4.170 -0.000 0.000 0.266 155 I C 1.000 177.061 176.117 -0.094 0.000 1.239 155 I CA 1.395 62.553 61.300 -0.236 0.000 1.451 155 I CB -0.148 37.558 38.000 -0.490 0.000 1.096 155 I HN 0.638 nan 8.210 nan 0.000 0.465 156 N N 0.892 119.569 118.700 -0.038 0.000 2.106 156 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 156 N C 0.738 176.244 175.510 -0.008 0.000 1.029 156 N CA 0.933 53.987 53.050 0.006 0.000 0.848 156 N CB -0.316 38.188 38.487 0.028 0.000 1.007 156 N HN 0.269 nan 8.380 nan 0.000 0.423 157 D N 0.346 120.737 120.400 -0.016 0.000 2.385 157 D HA -0.050 4.590 4.640 -0.000 0.000 0.260 157 D C 0.665 176.944 176.300 -0.034 0.000 1.326 157 D CA 0.358 54.349 54.000 -0.014 0.000 1.023 157 D CB 0.320 41.119 40.800 -0.003 0.000 1.083 157 D HN 0.124 nan 8.370 nan 0.000 0.517 158 T N 1.921 116.458 114.554 -0.028 0.000 3.023 158 T HA -0.148 4.201 4.350 -0.000 0.000 0.266 158 T C 1.313 175.986 174.700 -0.044 0.000 1.093 158 T CA 0.870 62.948 62.100 -0.036 0.000 1.129 158 T CB 0.082 68.936 68.868 -0.023 0.000 0.899 158 T HN 0.264 nan 8.240 nan 0.000 0.491 159 D N -0.209 120.169 120.400 -0.038 0.000 2.348 159 D HA 0.021 4.661 4.640 -0.000 0.000 0.216 159 D C 1.671 177.930 176.300 -0.070 0.000 0.970 159 D CA 0.307 54.280 54.000 -0.045 0.000 0.889 159 D CB -0.121 40.662 40.800 -0.030 0.000 0.912 159 D HN 0.343 nan 8.370 nan 0.000 0.524 160 L N -0.505 120.672 121.223 -0.078 0.000 2.145 160 L HA 0.127 4.467 4.340 -0.000 0.000 0.201 160 L C 1.625 178.406 176.870 -0.149 0.000 1.075 160 L CA 1.008 55.774 54.840 -0.123 0.000 0.773 160 L CB -0.406 41.592 42.059 -0.101 0.000 0.936 160 L HN -0.003 nan 8.230 nan 0.000 0.451 161 L N -0.142 121.010 121.223 -0.118 0.000 2.191 161 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 161 L C 2.596 179.401 176.870 -0.108 0.000 1.103 161 L CA 1.274 56.044 54.840 -0.117 0.000 0.769 161 L CB -1.003 40.998 42.059 -0.098 0.000 0.908 161 L HN 0.250 nan 8.230 nan 0.000 0.438 162 R N 0.193 120.635 120.500 -0.097 0.000 2.127 162 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 162 R C 2.021 178.258 176.300 -0.104 0.000 1.134 162 R CA 1.591 57.639 56.100 -0.085 0.000 0.975 162 R CB -0.092 30.164 30.300 -0.075 0.000 0.865 162 R HN 0.369 nan 8.270 nan 0.000 0.447 163 K N -0.558 119.759 120.400 -0.140 0.000 2.056 163 K HA 0.103 4.423 4.320 -0.000 0.000 0.205 163 K C 2.054 178.551 176.600 -0.172 0.000 1.035 163 K CA 1.296 57.482 56.287 -0.169 0.000 0.955 163 K CB -0.250 32.109 32.500 -0.234 0.000 0.769 163 K HN 0.051 nan 8.250 nan 0.000 0.447 164 I N 2.023 122.474 120.570 -0.199 0.000 2.285 164 I HA -0.372 3.798 4.170 -0.000 0.000 0.253 164 I C 2.494 178.532 176.117 -0.130 0.000 1.104 164 I CA 1.353 62.544 61.300 -0.181 0.000 1.372 164 I CB -0.574 37.321 38.000 -0.174 0.000 1.057 164 I HN 0.240 nan 8.210 nan 0.000 0.431 165 A N 0.800 123.554 122.820 -0.110 0.000 1.873 165 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 165 A C 2.352 179.891 177.584 -0.076 0.000 1.186 165 A CA 1.512 53.500 52.037 -0.082 0.000 0.616 165 A CB -0.497 18.462 19.000 -0.067 0.000 0.823 165 A HN 0.347 nan 8.150 nan 0.000 0.442 166 M N -0.676 118.874 119.600 -0.082 0.000 2.159 166 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 166 M C 1.961 178.213 176.300 -0.079 0.000 1.063 166 M CA 1.787 57.043 55.300 -0.073 0.000 1.110 166 M CB -0.896 31.657 32.600 -0.078 0.000 1.374 166 M HN 0.331 nan 8.290 nan 0.000 0.411 167 T N -0.182 114.310 114.554 -0.103 0.000 2.969 167 T HA -0.119 4.231 4.350 -0.000 0.000 0.271 167 T C 1.900 176.548 174.700 -0.087 0.000 1.127 167 T CA 1.619 63.656 62.100 -0.105 0.000 1.102 167 T CB -0.168 68.616 68.868 -0.140 0.000 0.855 167 T HN 0.428 nan 8.240 nan 0.000 0.536 168 S N 0.499 116.152 115.700 -0.078 0.000 2.620 168 S HA 0.082 4.552 4.470 -0.000 0.000 0.234 168 S C 1.794 176.362 174.600 -0.053 0.000 1.064 168 S CA 0.056 58.216 58.200 -0.066 0.000 0.920 168 S CB -0.099 63.063 63.200 -0.063 0.000 0.826 168 S HN 0.372 nan 8.310 nan 0.000 0.557 169 L N 1.031 122.226 121.223 -0.047 0.000 2.179 169 L HA 0.419 4.759 4.340 -0.000 0.000 0.208 169 L C 2.079 178.930 176.870 -0.032 0.000 1.096 169 L CA 1.467 56.285 54.840 -0.036 0.000 0.779 169 L CB -1.466 40.574 42.059 -0.031 0.000 0.922 169 L HN 0.093 nan 8.230 nan 0.000 0.443 170 S N -0.153 115.527 115.700 -0.034 0.000 2.440 170 S HA -0.203 4.267 4.470 -0.000 0.000 0.238 170 S C 2.163 176.756 174.600 -0.012 0.000 1.010 170 S CA 1.324 59.511 58.200 -0.022 0.000 0.972 170 S CB -0.529 62.655 63.200 -0.028 0.000 0.774 170 S HN 0.682 nan 8.310 nan 0.000 0.501 171 S N 0.579 116.263 115.700 -0.026 0.000 2.402 171 S HA -0.018 4.452 4.470 -0.000 0.000 0.229 171 S C 0.893 175.479 174.600 -0.024 0.000 1.021 171 S CA 0.804 58.986 58.200 -0.030 0.000 0.974 171 S CB -0.045 63.122 63.200 -0.055 0.000 0.800 171 S HN 0.265 nan 8.310 nan 0.000 0.484 172 K N 0.810 121.196 120.400 -0.023 0.000 2.118 172 K HA 0.414 4.734 4.320 -0.000 0.000 0.240 172 K C 1.599 178.191 176.600 -0.014 0.000 1.035 172 K CA 0.434 56.709 56.287 -0.019 0.000 0.899 172 K CB -0.188 32.300 32.500 -0.020 0.000 1.085 172 K HN 0.155 nan 8.250 nan 0.000 0.498 173 A N 0.963 123.775 122.820 -0.014 0.000 1.859 173 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 173 A C 0.950 178.526 177.584 -0.013 0.000 1.209 173 A CA 1.620 53.650 52.037 -0.013 0.000 0.639 173 A CB -0.836 18.156 19.000 -0.014 0.000 0.835 173 A HN 0.371 nan 8.150 nan 0.000 0.450 174 V N 0.645 120.547 119.914 -0.019 0.000 2.459 174 V HA 0.186 4.306 4.120 -0.000 0.000 0.255 174 V C 1.208 177.289 176.094 -0.021 0.000 1.015 174 V CA 0.714 63.000 62.300 -0.024 0.000 1.163 174 V CB -0.348 31.456 31.823 -0.033 0.000 1.109 174 V HN 0.609 nan 8.190 nan 0.000 0.473 175 A N 3.945 126.756 122.820 -0.014 0.000 2.470 175 A HA 0.540 4.860 4.320 -0.000 0.000 0.251 175 A C 1.236 178.813 177.584 -0.013 0.000 1.245 175 A CA 0.342 52.374 52.037 -0.009 0.000 0.932 175 A CB 0.131 19.137 19.000 0.010 0.000 1.037 175 A HN 0.744 nan 8.150 nan 0.000 0.522 176 G N -1.136 107.651 108.800 -0.022 0.000 2.483 176 G HA2 0.500 4.460 3.960 -0.000 0.000 0.248 176 G HA3 0.500 4.460 3.960 -0.000 0.000 0.248 176 G C 0.781 175.663 174.900 -0.030 0.000 1.248 176 G CA 0.061 45.146 45.100 -0.026 0.000 0.838 176 G HN 1.508 nan 8.290 nan 0.000 0.566 177 A N 1.554 124.364 122.820 -0.018 0.000 1.928 177 A HA -0.194 4.126 4.320 -0.000 0.000 0.252 177 A C 2.125 179.720 177.584 0.018 0.000 1.250 177 A CA 1.331 53.371 52.037 0.005 0.000 0.764 177 A CB -0.617 18.392 19.000 0.014 0.000 1.129 177 A HN 1.010 nan 8.150 nan 0.000 0.318 178 R N 0.188 120.694 120.500 0.009 0.000 2.153 178 R HA -0.080 4.260 4.340 -0.000 0.000 0.218 178 R C 1.171 177.494 176.300 0.039 0.000 1.072 178 R CA 1.115 57.222 56.100 0.012 0.000 0.990 178 R CB -0.277 30.017 30.300 -0.010 0.000 0.889 178 R HN 0.629 nan 8.270 nan 0.000 0.452 179 E N 0.928 121.150 120.200 0.037 0.000 2.130 179 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 179 E C 1.622 178.265 176.600 0.072 0.000 0.998 179 E CA 1.246 57.663 56.400 0.029 0.000 0.806 179 E CB -0.413 29.295 29.700 0.014 0.000 0.738 179 E HN 0.383 nan 8.360 nan 0.000 0.459 180 Y N 1.218 121.498 120.300 -0.034 0.000 2.097 180 Y HA -0.236 4.314 4.550 -0.000 0.000 0.282 180 Y C 2.208 178.088 175.900 -0.034 0.000 1.152 180 Y CA 1.492 59.573 58.100 -0.031 0.000 1.136 180 Y CB -0.324 38.120 38.460 -0.028 0.000 0.975 180 Y HN -0.022 nan 8.280 nan 0.000 0.498 181 I N 0.069 120.802 120.570 0.271 0.000 2.252 181 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 181 I C 2.670 178.825 176.117 0.063 0.000 1.102 181 I CA 1.343 62.731 61.300 0.147 0.000 1.385 181 I CB -2.086 35.947 38.000 0.055 0.000 1.064 181 I HN 0.307 nan 8.210 nan 0.000 0.414 182 A N 0.896 123.737 122.820 0.036 0.000 1.873 182 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 182 A C 2.239 179.815 177.584 -0.014 0.000 1.193 182 A CA 2.268 54.302 52.037 -0.004 0.000 0.629 182 A CB -0.929 18.059 19.000 -0.019 0.000 0.826 182 A HN 0.457 nan 8.150 nan 0.000 0.447 183 D N -0.152 120.240 120.400 -0.014 0.000 2.116 183 D HA -0.171 4.468 4.640 -0.000 0.000 0.193 183 D C 1.948 178.230 176.300 -0.031 0.000 0.998 183 D CA 1.640 55.618 54.000 -0.036 0.000 0.836 183 D CB -0.160 40.603 40.800 -0.061 0.000 0.951 183 D HN 0.276 nan 8.370 nan 0.000 0.449 184 I N 1.159 121.718 120.570 -0.020 0.000 2.091 184 I HA -0.261 3.909 4.170 -0.000 0.000 0.239 184 I C 2.832 178.940 176.117 -0.014 0.000 1.061 184 I CA 0.662 61.952 61.300 -0.017 0.000 1.317 184 I CB -1.477 36.534 38.000 0.017 0.000 1.031 184 I HN -0.007 nan 8.210 nan 0.000 0.401 185 V N 0.787 120.695 119.914 -0.010 0.000 2.317 185 V HA -0.297 3.823 4.120 -0.000 0.000 0.251 185 V C 2.695 178.776 176.094 -0.022 0.000 1.065 185 V CA 1.717 64.007 62.300 -0.017 0.000 1.049 185 V CB -0.797 31.014 31.823 -0.021 0.000 0.651 185 V HN 0.223 nan 8.190 nan 0.000 0.450 186 V N -0.349 119.549 119.914 -0.027 0.000 2.261 186 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 186 V C 2.415 178.502 176.094 -0.012 0.000 1.047 186 V CA 2.283 64.565 62.300 -0.030 0.000 1.015 186 V CB -0.753 31.047 31.823 -0.038 0.000 0.642 186 V HN 0.536 nan 8.190 nan 0.000 0.446 187 K N 0.494 120.894 120.400 0.000 0.000 2.063 187 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 187 K C 2.322 178.949 176.600 0.045 0.000 1.048 187 K CA 1.531 57.837 56.287 0.031 0.000 0.928 187 K CB -0.527 32.001 32.500 0.046 0.000 0.713 187 K HN 0.466 nan 8.250 nan 0.000 0.442 188 A N 1.125 123.957 122.820 0.019 0.000 1.940 188 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 188 A C 2.378 179.975 177.584 0.021 0.000 1.176 188 A CA 1.735 53.781 52.037 0.015 0.000 0.631 188 A CB -0.591 18.403 19.000 -0.011 0.000 0.814 188 A HN 0.095 nan 8.150 nan 0.000 0.446 189 V N 0.049 119.968 119.914 0.009 0.000 2.331 189 V HA -0.168 3.952 4.120 -0.000 0.000 0.242 189 V C 2.834 178.945 176.094 0.030 0.000 1.034 189 V CA 2.129 64.432 62.300 0.006 0.000 1.027 189 V CB -1.649 30.162 31.823 -0.020 0.000 0.667 189 V HN 0.756 nan 8.190 nan 0.000 0.457 190 T N -1.011 113.559 114.554 0.026 0.000 2.869 190 T HA -0.353 3.997 4.350 -0.000 0.000 0.270 190 T C 1.752 176.507 174.700 0.091 0.000 1.082 190 T CA 1.984 64.117 62.100 0.054 0.000 1.123 190 T CB -0.381 68.508 68.868 0.035 0.000 0.856 190 T HN 0.413 nan 8.240 nan 0.000 0.499 191 Q N 0.907 120.756 119.800 0.080 0.000 2.119 191 Q HA 0.022 4.362 4.340 -0.000 0.000 0.201 191 Q C 2.149 178.201 176.000 0.086 0.000 0.972 191 Q CA 1.383 57.242 55.803 0.093 0.000 0.847 191 Q CB -0.343 28.468 28.738 0.121 0.000 0.903 191 Q HN 0.533 nan 8.270 nan 0.000 0.433 192 V N 0.406 120.363 119.914 0.072 0.000 3.052 192 V HA 0.245 4.365 4.120 -0.000 0.000 0.254 192 V C 1.067 177.208 176.094 0.078 0.000 1.100 192 V CA 0.367 62.702 62.300 0.057 0.000 1.112 192 V CB -1.026 30.811 31.823 0.024 0.000 0.738 192 V HN 0.405 nan 8.190 nan 0.000 0.469 193 A N 0.868 123.767 122.820 0.132 0.000 2.583 193 A HA 0.180 4.500 4.320 -0.000 0.000 0.231 193 A C 0.345 178.057 177.584 0.215 0.000 1.065 193 A CA 0.758 52.948 52.037 0.256 0.000 0.760 193 A CB 0.015 19.273 19.000 0.429 0.000 1.001 193 A HN 0.616 nan 8.150 nan 0.000 0.509 194 E N -0.750 119.563 120.200 0.188 0.000 2.458 194 E HA 0.533 4.883 4.350 -0.000 0.000 0.278 194 E C -1.793 174.590 176.600 -0.361 0.000 1.004 194 E CA -0.844 55.523 56.400 -0.055 0.000 0.823 194 E CB 1.299 31.011 29.700 0.021 0.000 1.396 194 E HN 0.327 nan 8.360 nan 0.000 0.463 195 L N 1.581 122.535 121.223 -0.448 0.000 2.732 195 L HA 0.301 4.641 4.340 -0.000 0.000 0.246 195 L C -0.191 176.512 176.870 -0.277 0.000 1.407 195 L CA -0.031 54.447 54.840 -0.603 0.000 0.861 195 L CB 0.268 41.876 42.059 -0.751 0.000 1.161 195 L HN 0.221 nan 8.230 nan 0.000 0.510 196 R N 1.602 122.018 120.500 -0.140 0.000 3.097 196 R HA 0.352 4.692 4.340 -0.000 0.000 0.212 196 R C 0.786 177.038 176.300 -0.080 0.000 1.651 196 R CA 0.389 56.443 56.100 -0.078 0.000 1.134 196 R CB -0.440 29.840 30.300 -0.033 0.000 1.241 196 R HN 0.622 nan 8.270 nan 0.000 0.640 197 G N 3.280 112.025 108.800 -0.092 0.000 2.546 197 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.285 197 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.285 197 G C 0.092 174.952 174.900 -0.066 0.000 1.105 197 G CA -0.013 45.046 45.100 -0.068 0.000 1.189 197 G HN 0.967 nan 8.290 nan 0.000 0.534 198 D N -1.646 118.693 120.400 -0.101 0.000 2.978 198 D HA -0.268 4.372 4.640 -0.000 0.000 0.226 198 D C 0.395 176.682 176.300 -0.023 0.000 1.189 198 D CA 2.106 56.059 54.000 -0.079 0.000 0.810 198 D CB -0.771 40.020 40.800 -0.016 0.000 1.096 198 D HN 0.968 nan 8.370 nan 0.000 0.414 199 K N 0.451 120.825 120.400 -0.044 0.000 2.579 199 K HA 0.304 4.624 4.320 -0.000 0.000 0.225 199 K C -0.614 176.047 176.600 0.102 0.000 0.992 199 K CA -0.959 55.373 56.287 0.075 0.000 1.018 199 K CB 0.380 32.913 32.500 0.055 0.000 1.249 199 K HN 0.092 nan 8.250 nan 0.000 0.489 200 W N 2.235 123.580 121.300 0.075 0.000 2.345 200 W HA -0.106 4.554 4.660 -0.000 0.000 0.346 200 W C 0.150 176.779 176.519 0.184 0.000 1.243 200 W CA 0.624 58.029 57.345 0.100 0.000 1.327 200 W CB 0.063 29.562 29.460 0.066 0.000 1.187 200 W HN 0.409 nan 8.180 nan 0.000 0.588 201 Y N 1.864 122.309 120.300 0.241 0.000 2.294 201 Y HA 0.422 4.972 4.550 -0.000 0.000 0.329 201 Y C -1.279 174.705 175.900 0.140 0.000 1.135 201 Y CA -1.474 56.714 58.100 0.147 0.000 1.213 201 Y CB 0.329 38.834 38.460 0.075 0.000 1.141 201 Y HN 0.119 nan 8.280 nan 0.000 0.446 202 V N 5.252 125.063 119.914 -0.171 0.000 2.385 202 V HA 0.210 4.330 4.120 -0.000 0.000 0.269 202 V C -0.436 175.401 176.094 -0.428 0.000 1.043 202 V CA -0.371 61.811 62.300 -0.198 0.000 0.906 202 V CB 1.309 33.096 31.823 -0.059 0.000 0.995 202 V HN 0.710 nan 8.190 nan 0.000 0.467 203 D N 4.054 124.214 120.400 -0.400 0.000 2.412 203 D HA 0.369 5.009 4.640 -0.000 0.000 0.224 203 D C 0.791 177.003 176.300 -0.147 0.000 1.093 203 D CA -0.503 53.291 54.000 -0.343 0.000 0.850 203 D CB 1.447 42.078 40.800 -0.282 0.000 1.046 203 D HN 0.259 nan 8.370 nan 0.000 0.507 204 L N 2.900 124.057 121.223 -0.110 0.000 2.129 204 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 204 L C 1.722 178.571 176.870 -0.035 0.000 1.087 204 L CA 1.335 56.140 54.840 -0.057 0.000 0.757 204 L CB -0.506 41.527 42.059 -0.043 0.000 0.896 204 L HN 0.536 nan 8.230 nan 0.000 0.434 205 D N -0.214 120.168 120.400 -0.031 0.000 2.271 205 D HA -0.198 4.442 4.640 -0.000 0.000 0.207 205 D C 1.291 177.588 176.300 -0.005 0.000 0.983 205 D CA 1.004 54.997 54.000 -0.011 0.000 0.878 205 D CB -0.399 40.400 40.800 -0.001 0.000 0.920 205 D HN 0.583 nan 8.370 nan 0.000 0.479 206 N N 0.013 118.706 118.700 -0.010 0.000 2.501 206 N HA 0.062 4.802 4.740 -0.000 0.000 0.195 206 N C 0.012 175.527 175.510 0.009 0.000 1.213 206 N CA 0.072 53.124 53.050 0.004 0.000 0.864 206 N CB 0.569 39.058 38.487 0.004 0.000 0.999 206 N HN 0.159 nan 8.380 nan 0.000 0.454 207 I N 0.677 121.248 120.570 0.001 0.000 2.478 207 I HA 0.137 4.307 4.170 -0.000 0.000 0.287 207 I C -0.561 175.557 176.117 0.001 0.000 1.042 207 I CA -0.626 60.675 61.300 0.002 0.000 1.067 207 I CB 2.199 40.196 38.000 -0.005 0.000 1.233 207 I HN 0.010 nan 8.210 nan 0.000 0.431 208 Q N 5.781 125.584 119.800 0.005 0.000 2.235 208 Q HA 0.643 4.983 4.340 -0.000 0.000 0.256 208 Q C -1.593 174.409 176.000 0.003 0.000 0.951 208 Q CA -0.707 55.098 55.803 0.005 0.000 0.890 208 Q CB 2.176 30.921 28.738 0.010 0.000 1.279 208 Q HN 0.546 nan 8.270 nan 0.000 0.444 209 I N 3.745 124.316 120.570 0.001 0.000 2.439 209 I HA 0.249 4.419 4.170 -0.000 0.000 0.283 209 I C -0.720 175.397 176.117 -0.000 0.000 1.023 209 I CA -0.562 60.737 61.300 -0.000 0.000 1.100 209 I CB 1.728 39.725 38.000 -0.004 0.000 1.238 209 I HN 0.369 nan 8.210 nan 0.000 0.445 210 V N 3.500 123.417 119.914 0.005 0.000 2.628 210 V HA 0.869 4.989 4.120 -0.000 0.000 0.306 210 V C -0.654 175.442 176.094 0.003 0.000 1.045 210 V CA -0.737 61.563 62.300 0.001 0.000 0.905 210 V CB 1.796 33.619 31.823 -0.000 0.000 0.997 210 V HN 0.762 nan 8.190 nan 0.000 0.436 211 K N 2.341 122.739 120.400 -0.004 0.000 2.468 211 K HA 0.794 5.114 4.320 -0.000 0.000 0.252 211 K C -1.319 175.277 176.600 -0.007 0.000 0.932 211 K CA -1.018 55.267 56.287 -0.004 0.000 0.794 211 K CB 2.699 35.194 32.500 -0.008 0.000 1.241 211 K HN 0.493 nan 8.250 nan 0.000 0.428 212 K N 1.770 122.167 120.400 -0.005 0.000 2.553 212 K HA 0.414 4.734 4.320 -0.000 0.000 0.250 212 K C -0.563 176.033 176.600 -0.007 0.000 0.953 212 K CA -0.542 55.741 56.287 -0.007 0.000 0.800 212 K CB 2.152 34.648 32.500 -0.006 0.000 1.243 212 K HN 0.949 nan 8.250 nan 0.000 0.435 213 A N 1.021 123.835 122.820 -0.010 0.000 2.582 213 A HA 0.403 4.723 4.320 -0.000 0.000 0.248 213 A C 0.561 178.139 177.584 -0.009 0.000 1.127 213 A CA 1.333 53.363 52.037 -0.012 0.000 0.822 213 A CB -0.304 18.689 19.000 -0.011 0.000 1.069 213 A HN 1.001 nan 8.150 nan 0.000 0.522 214 G N -1.848 106.944 108.800 -0.012 0.000 2.931 214 G HA2 0.580 4.540 3.960 -0.000 0.000 0.675 214 G HA3 0.580 4.540 3.960 -0.000 0.000 0.675 214 G C 0.767 175.657 174.900 -0.017 0.000 1.339 214 G CA 0.233 45.327 45.100 -0.010 0.000 0.866 214 G HN 2.899 nan 8.290 nan 0.000 0.616 215 G N 1.054 109.845 108.800 -0.016 0.000 2.566 215 G HA2 0.242 4.202 3.960 -0.000 0.000 0.308 215 G HA3 0.242 4.202 3.960 -0.000 0.000 0.308 215 G C 1.092 175.971 174.900 -0.035 0.000 1.317 215 G CA 1.276 46.363 45.100 -0.022 0.000 0.930 215 G HN 2.489 nan 8.290 nan 0.000 0.547 216 S N -1.348 114.323 115.700 -0.048 0.000 2.694 216 S HA 0.618 5.088 4.470 -0.000 0.000 0.278 216 S C 1.672 176.211 174.600 -0.102 0.000 1.152 216 S CA -0.097 58.061 58.200 -0.069 0.000 1.010 216 S CB 1.226 64.382 63.200 -0.073 0.000 1.104 216 S HN 0.700 nan 8.310 nan 0.000 0.547 217 I N 0.934 121.423 120.570 -0.135 0.000 2.676 217 I HA -0.084 4.086 4.170 -0.000 0.000 0.259 217 I C 1.334 177.243 176.117 -0.345 0.000 1.194 217 I CA 0.639 61.827 61.300 -0.186 0.000 1.473 217 I CB -0.890 37.011 38.000 -0.166 0.000 1.096 217 I HN 0.558 nan 8.210 nan 0.000 0.443 218 N N 0.899 119.369 118.700 -0.384 0.000 2.453 218 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 218 N C 0.824 176.122 175.510 -0.355 0.000 1.041 218 N CA 0.832 53.499 53.050 -0.639 0.000 0.900 218 N CB -0.144 38.164 38.487 -0.298 0.000 0.961 218 N HN 0.266 nan 8.380 nan 0.000 0.443 219 D N -0.123 120.173 120.400 -0.173 0.000 2.325 219 D HA -0.005 4.635 4.640 -0.000 0.000 0.234 219 D C 0.230 176.517 176.300 -0.021 0.000 1.122 219 D CA 0.366 54.337 54.000 -0.047 0.000 0.850 219 D CB -0.175 40.606 40.800 -0.032 0.000 0.921 219 D HN 0.307 nan 8.370 nan 0.000 0.513 220 T N -2.002 112.515 114.554 -0.061 0.000 2.907 220 T HA 0.551 4.901 4.350 -0.000 0.000 0.284 220 T C -0.182 174.591 174.700 0.121 0.000 1.004 220 T CA -0.742 61.359 62.100 0.003 0.000 1.063 220 T CB 2.988 71.830 68.868 -0.044 0.000 0.992 220 T HN -0.051 nan 8.240 nan 0.000 0.483 221 Q N 0.996 120.844 119.800 0.080 0.000 2.534 221 Q HA 0.591 4.931 4.340 -0.000 0.000 0.290 221 Q C -1.748 174.242 176.000 -0.017 0.000 0.991 221 Q CA -1.175 54.664 55.803 0.060 0.000 0.783 221 Q CB 2.035 30.785 28.738 0.021 0.000 1.470 221 Q HN 0.904 nan 8.270 nan 0.000 0.406 222 L N -0.253 120.912 121.223 -0.095 0.000 2.309 222 L HA 0.842 5.181 4.340 -0.000 0.000 0.282 222 L C -1.105 175.575 176.870 -0.317 0.000 1.036 222 L CA -0.927 53.802 54.840 -0.185 0.000 0.806 222 L CB 1.556 43.475 42.059 -0.235 0.000 1.220 222 L HN 0.275 nan 8.230 nan 0.000 0.429 223 V N 3.399 123.161 119.914 -0.254 0.000 2.435 223 V HA 0.226 4.346 4.120 -0.000 0.000 0.290 223 V C -0.380 175.560 176.094 -0.256 0.000 1.030 223 V CA -0.312 61.846 62.300 -0.238 0.000 0.881 223 V CB 1.264 33.057 31.823 -0.050 0.000 0.983 223 V HN 0.629 nan 8.190 nan 0.000 0.445 224 Y N 3.575 123.875 120.300 0.000 0.000 3.103 224 Y HA 0.539 5.089 4.550 -0.000 0.000 0.389 224 Y C 1.121 177.038 175.900 0.027 0.000 1.082 224 Y CA 0.515 58.622 58.100 0.011 0.000 1.987 224 Y CB -0.103 38.356 38.460 -0.001 0.000 2.096 224 Y HN 0.850 nan 8.280 nan 0.000 0.423 225 G N -0.847 108.026 108.800 0.121 0.000 2.322 225 G HA2 0.269 4.229 3.960 -0.000 0.000 0.295 225 G HA3 0.269 4.229 3.960 -0.000 0.000 0.295 225 G C -1.440 173.517 174.900 0.095 0.000 1.369 225 G CA -1.165 44.003 45.100 0.112 0.000 0.821 225 G HN -0.081 nan 8.290 nan 0.000 0.536 226 I N 0.150 120.772 120.570 0.087 0.000 2.754 226 I HA 0.372 4.542 4.170 -0.000 0.000 0.285 226 I C 0.363 176.539 176.117 0.099 0.000 1.166 226 I CA -0.361 60.982 61.300 0.071 0.000 1.417 226 I CB 0.975 39.002 38.000 0.046 0.000 1.382 226 I HN 0.179 nan 8.210 nan 0.000 0.588 227 V N 6.256 126.212 119.914 0.069 0.000 2.482 227 V HA 0.270 4.390 4.120 -0.000 0.000 0.295 227 V C -0.113 175.939 176.094 -0.069 0.000 1.026 227 V CA -0.718 61.601 62.300 0.032 0.000 0.856 227 V CB 1.997 33.893 31.823 0.121 0.000 1.001 227 V HN 0.424 nan 8.190 nan 0.000 0.424 228 V N 3.431 123.264 119.914 -0.135 0.000 2.348 228 V HA 0.241 4.361 4.120 -0.000 0.000 0.270 228 V C 0.222 176.219 176.094 -0.161 0.000 1.037 228 V CA -0.345 61.884 62.300 -0.118 0.000 0.872 228 V CB 1.433 33.202 31.823 -0.089 0.000 1.002 228 V HN 0.948 nan 8.190 nan 0.000 0.464 229 D N 5.251 125.583 120.400 -0.115 0.000 2.470 229 D HA 0.304 4.944 4.640 -0.000 0.000 0.226 229 D C -0.119 176.132 176.300 -0.082 0.000 1.196 229 D CA 0.179 54.114 54.000 -0.108 0.000 0.979 229 D CB 0.015 40.772 40.800 -0.071 0.000 1.059 229 D HN 0.329 nan 8.370 nan 0.000 0.515 230 K N 2.725 123.069 120.400 -0.093 0.000 2.577 230 K HA 0.056 4.376 4.320 -0.000 0.000 0.267 230 K C -1.088 175.471 176.600 -0.068 0.000 0.979 230 K CA -0.531 55.717 56.287 -0.064 0.000 0.942 230 K CB 1.172 33.643 32.500 -0.048 0.000 1.343 230 K HN 0.516 nan 8.250 nan 0.000 0.436 231 E N 2.129 122.297 120.200 -0.053 0.000 2.436 231 E HA 0.102 4.452 4.350 -0.000 0.000 0.262 231 E C 0.360 176.941 176.600 -0.030 0.000 1.063 231 E CA -0.362 56.011 56.400 -0.044 0.000 0.944 231 E CB 0.726 30.407 29.700 -0.032 0.000 0.950 231 E HN 0.352 nan 8.360 nan 0.000 0.444 232 V N 1.917 121.816 119.914 -0.023 0.000 3.332 232 V HA -0.065 4.054 4.120 -0.000 0.000 0.305 232 V C 1.238 177.339 176.094 0.011 0.000 1.114 232 V CA 0.080 62.377 62.300 -0.005 0.000 1.194 232 V CB 1.046 32.871 31.823 0.003 0.000 1.027 232 V HN 0.715 nan 8.190 nan 0.000 0.492 233 V N 0.786 120.721 119.914 0.035 0.000 2.407 233 V HA 0.066 4.186 4.120 -0.000 0.000 0.245 233 V C 0.884 177.049 176.094 0.117 0.000 1.041 233 V CA 1.997 64.332 62.300 0.059 0.000 1.040 233 V CB -0.517 31.338 31.823 0.055 0.000 0.671 233 V HN 1.147 nan 8.190 nan 0.000 0.455 234 H N -0.186 118.885 119.070 0.003 0.000 2.717 234 H HA 0.477 5.033 4.556 -0.000 0.000 0.366 234 H C -2.062 173.269 175.328 0.005 0.000 1.132 234 H CA -1.747 54.305 56.048 0.006 0.000 1.180 234 H CB 2.386 32.155 29.762 0.012 0.000 1.678 234 H HN -0.086 nan 8.280 nan 0.000 0.537 235 P HA 0.004 nan 4.420 nan 0.000 0.223 235 P C 0.802 177.948 177.300 -0.256 0.000 1.151 235 P CA 1.078 63.979 63.100 -0.332 0.000 0.787 235 P CB 0.189 31.699 31.700 -0.316 0.000 0.788 236 G N -0.378 108.218 108.800 -0.340 0.000 3.379 236 G HA2 0.274 4.234 3.960 -0.000 0.000 0.253 236 G HA3 0.274 4.234 3.960 -0.000 0.000 0.253 236 G C 0.401 175.378 174.900 0.128 0.000 1.262 236 G CA -0.188 44.932 45.100 0.033 0.000 0.959 236 G HN 0.220 nan 8.290 nan 0.000 0.524 237 M N -0.176 119.470 119.600 0.076 0.000 2.664 237 M HA 0.343 4.823 4.480 -0.000 0.000 0.314 237 M C -2.630 173.696 176.300 0.042 0.000 1.200 237 M CA -2.143 53.204 55.300 0.077 0.000 0.916 237 M CB 2.271 34.925 32.600 0.090 0.000 1.717 237 M HN -0.259 nan 8.290 nan 0.000 0.470 238 P HA 0.054 nan 4.420 nan 0.000 0.261 238 P C -0.644 176.675 177.300 0.031 0.000 1.203 238 P CA 0.300 63.420 63.100 0.033 0.000 0.767 238 P CB 0.196 31.917 31.700 0.036 0.000 0.785 239 K N 2.837 123.253 120.400 0.026 0.000 2.520 239 K HA 0.123 4.443 4.320 -0.000 0.000 0.205 239 K C 0.458 177.081 176.600 0.039 0.000 1.035 239 K CA 0.075 56.379 56.287 0.028 0.000 1.188 239 K CB 0.259 32.771 32.500 0.021 0.000 0.894 239 K HN 0.331 nan 8.250 nan 0.000 0.497 240 R N 1.171 121.694 120.500 0.039 0.000 3.270 240 R HA 0.108 4.448 4.340 -0.000 0.000 0.299 240 R C -1.931 174.394 176.300 0.041 0.000 1.188 240 R CA -0.293 55.833 56.100 0.045 0.000 1.090 240 R CB 0.487 30.812 30.300 0.040 0.000 1.329 240 R HN -0.040 nan 8.270 nan 0.000 0.381 241 L N 2.659 123.909 121.223 0.045 0.000 2.317 241 L HA 0.507 4.847 4.340 -0.000 0.000 0.281 241 L C 0.128 177.024 176.870 0.043 0.000 1.024 241 L CA -0.723 54.142 54.840 0.043 0.000 0.810 241 L CB 1.613 43.700 42.059 0.046 0.000 1.240 241 L HN 0.635 nan 8.230 nan 0.000 0.427 242 E N 2.322 122.544 120.200 0.036 0.000 2.259 242 E HA 0.176 4.526 4.350 -0.000 0.000 0.281 242 E C 0.046 176.668 176.600 0.036 0.000 1.027 242 E CA 0.001 56.420 56.400 0.032 0.000 0.838 242 E CB 0.416 30.130 29.700 0.023 0.000 1.066 242 E HN 0.492 nan 8.360 nan 0.000 0.401 243 N N 2.124 120.847 118.700 0.038 0.000 2.586 243 N HA -0.252 4.488 4.740 -0.000 0.000 0.282 243 N C -1.632 173.919 175.510 0.068 0.000 1.171 243 N CA 0.787 53.862 53.050 0.042 0.000 0.733 243 N CB -0.603 37.894 38.487 0.018 0.000 0.910 243 N HN 0.479 nan 8.380 nan 0.000 0.548 244 A N 3.077 125.950 122.820 0.087 0.000 2.271 244 A HA 0.648 4.968 4.320 -0.000 0.000 0.288 244 A C 0.176 177.853 177.584 0.156 0.000 1.094 244 A CA -0.388 51.708 52.037 0.099 0.000 0.828 244 A CB 0.753 19.800 19.000 0.078 0.000 1.091 244 A HN 0.511 nan 8.150 nan 0.000 0.493 245 K N 1.749 122.228 120.400 0.132 0.000 2.753 245 K HA 0.329 4.649 4.320 -0.000 0.000 0.185 245 K C -1.109 175.501 176.600 0.017 0.000 1.071 245 K CA -0.027 56.339 56.287 0.131 0.000 0.999 245 K CB 0.755 33.366 32.500 0.186 0.000 1.244 245 K HN 0.668 nan 8.250 nan 0.000 0.594 246 I N 1.783 122.350 120.570 -0.007 0.000 2.880 246 I HA -0.117 4.053 4.170 -0.000 0.000 0.296 246 I C 0.533 176.617 176.117 -0.054 0.000 1.220 246 I CA 0.439 61.726 61.300 -0.023 0.000 1.435 246 I CB 0.500 38.489 38.000 -0.019 0.000 1.339 246 I HN 0.458 nan 8.210 nan 0.000 0.583 247 A N 7.775 130.575 122.820 -0.033 0.000 2.483 247 A HA 0.489 4.809 4.320 -0.000 0.000 0.308 247 A C -0.502 177.064 177.584 -0.030 0.000 1.291 247 A CA -0.610 51.404 52.037 -0.038 0.000 0.774 247 A CB 0.345 19.330 19.000 -0.025 0.000 1.134 247 A HN 0.501 nan 8.150 nan 0.000 0.471 248 L N 4.240 125.442 121.223 -0.035 0.000 2.505 248 L HA 0.147 4.487 4.340 -0.000 0.000 0.279 248 L C -0.151 176.704 176.870 -0.025 0.000 1.211 248 L CA 0.489 55.313 54.840 -0.027 0.000 1.059 248 L CB -0.899 41.143 42.059 -0.027 0.000 1.340 248 L HN 0.472 nan 8.230 nan 0.000 0.447 249 I N 2.405 122.962 120.570 -0.022 0.000 2.291 249 I HA 0.131 4.301 4.170 -0.000 0.000 0.290 249 I C 0.445 176.551 176.117 -0.019 0.000 1.050 249 I CA -0.285 61.002 61.300 -0.021 0.000 1.245 249 I CB 1.199 39.186 38.000 -0.023 0.000 1.405 249 I HN 0.345 nan 8.210 nan 0.000 0.478 250 D N 7.001 127.390 120.400 -0.018 0.000 2.467 250 D HA 0.670 5.310 4.640 -0.000 0.000 0.220 250 D C -0.500 175.791 176.300 -0.015 0.000 1.103 250 D CA -0.006 53.984 54.000 -0.015 0.000 0.886 250 D CB 0.804 41.596 40.800 -0.013 0.000 1.025 250 D HN 0.718 nan 8.370 nan 0.000 0.514 251 A N 1.954 124.765 122.820 -0.017 0.000 2.481 251 A HA 0.450 4.770 4.320 -0.000 0.000 0.295 251 A C -0.675 176.897 177.584 -0.019 0.000 0.986 251 A CA -0.593 51.434 52.037 -0.017 0.000 0.617 251 A CB -0.067 18.922 19.000 -0.018 0.000 1.364 251 A HN 0.468 nan 8.150 nan 0.000 0.452 252 S N -0.235 115.454 115.700 -0.018 0.000 2.525 252 S HA 0.395 4.865 4.470 -0.000 0.000 0.285 252 S C -0.159 174.425 174.600 -0.027 0.000 1.283 252 S CA 0.230 58.418 58.200 -0.020 0.000 1.072 252 S CB 0.708 63.898 63.200 -0.017 0.000 0.867 252 S HN 1.880 nan 8.310 nan 0.000 0.492 253 L N 2.703 123.908 121.223 -0.029 0.000 2.783 253 L HA 0.431 4.771 4.340 -0.000 0.000 0.265 253 L C -0.457 176.388 176.870 -0.041 0.000 1.398 253 L CA -0.068 54.748 54.840 -0.039 0.000 0.802 253 L CB -0.212 41.824 42.059 -0.039 0.000 1.126 253 L HN 0.954 nan 8.230 nan 0.000 0.529 254 E N -0.313 119.864 120.200 -0.037 0.000 2.408 254 E HA 0.497 4.847 4.350 -0.000 0.000 0.275 254 E C -0.532 176.046 176.600 -0.037 0.000 0.935 254 E CA -1.181 55.197 56.400 -0.036 0.000 0.775 254 E CB 2.111 31.794 29.700 -0.027 0.000 1.277 254 E HN 0.041 nan 8.360 nan 0.000 0.455 255 V N -0.268 119.621 119.914 -0.041 0.000 2.752 255 V HA -0.007 4.113 4.120 -0.000 0.000 0.306 255 V C 0.049 176.125 176.094 -0.030 0.000 1.099 255 V CA 0.167 62.442 62.300 -0.041 0.000 1.240 255 V CB 0.526 32.318 31.823 -0.052 0.000 0.887 255 V HN 0.830 nan 8.190 nan 0.000 0.499 256 E N 3.922 124.109 120.200 -0.022 0.000 2.257 256 E HA 0.220 4.570 4.350 -0.000 0.000 0.278 256 E C 0.228 176.828 176.600 -0.000 0.000 1.049 256 E CA -0.042 56.353 56.400 -0.007 0.000 0.876 256 E CB 0.580 30.282 29.700 0.004 0.000 1.035 256 E HN 0.827 nan 8.360 nan 0.000 0.419 257 K N 4.970 125.371 120.400 0.001 0.000 2.484 257 K HA 0.018 4.338 4.320 -0.000 0.000 0.280 257 K C -1.938 174.679 176.600 0.029 0.000 1.013 257 K CA -0.917 55.375 56.287 0.009 0.000 1.029 257 K CB 0.633 33.137 32.500 0.007 0.000 0.902 257 K HN 0.335 nan 8.250 nan 0.000 0.481 258 P HA 0.032 nan 4.420 nan 0.000 0.282 258 P C 0.171 177.521 177.300 0.084 0.000 1.327 258 P CA -0.169 62.986 63.100 0.092 0.000 0.949 258 P CB 0.592 32.402 31.700 0.184 0.000 1.445 259 E N 1.265 121.504 120.200 0.065 0.000 2.077 259 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 259 E C 1.654 178.274 176.600 0.033 0.000 0.989 259 E CA 1.408 57.839 56.400 0.051 0.000 0.800 259 E CB -0.433 29.291 29.700 0.040 0.000 0.746 259 E HN 0.117 nan 8.360 nan 0.000 0.452 260 L N 0.554 121.793 121.223 0.026 0.000 2.046 260 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 260 L C 1.799 178.679 176.870 0.016 0.000 1.077 260 L CA 2.061 56.912 54.840 0.018 0.000 0.747 260 L CB -1.248 40.819 42.059 0.013 0.000 0.896 260 L HN -0.154 nan 8.230 nan 0.000 0.432 261 D N 0.819 121.232 120.400 0.022 0.000 2.117 261 D HA 0.142 4.782 4.640 -0.000 0.000 0.197 261 D C 1.012 177.319 176.300 0.012 0.000 0.987 261 D CA 1.658 55.669 54.000 0.018 0.000 0.829 261 D CB 0.034 40.849 40.800 0.025 0.000 0.961 261 D HN 0.593 nan 8.370 nan 0.000 0.460 262 A N -0.561 122.270 122.820 0.018 0.000 2.587 262 A HA 0.553 4.873 4.320 -0.000 0.000 0.293 262 A C -1.105 176.486 177.584 0.012 0.000 1.087 262 A CA -0.589 51.451 52.037 0.005 0.000 0.692 262 A CB 2.185 21.176 19.000 -0.016 0.000 1.291 262 A HN -0.122 nan 8.150 nan 0.000 0.407 263 E N 0.341 120.541 120.200 -0.001 0.000 2.256 263 E HA 0.641 4.991 4.350 -0.000 0.000 0.268 263 E C -1.473 175.119 176.600 -0.013 0.000 0.877 263 E CA -0.357 56.045 56.400 0.004 0.000 0.757 263 E CB 2.132 31.834 29.700 0.003 0.000 1.183 263 E HN 0.769 nan 8.360 nan 0.000 0.418 264 I N 0.347 120.908 120.570 -0.014 0.000 3.149 264 I HA 0.585 4.755 4.170 -0.000 0.000 0.310 264 I C -1.263 174.839 176.117 -0.025 0.000 1.343 264 I CA -0.952 60.325 61.300 -0.037 0.000 0.955 264 I CB 1.722 39.670 38.000 -0.088 0.000 1.309 264 I HN 0.388 nan 8.210 nan 0.000 0.478 265 R N 3.676 124.157 120.500 -0.032 0.000 2.730 265 R HA 0.806 5.146 4.340 -0.000 0.000 0.228 265 R C -1.082 175.205 176.300 -0.022 0.000 1.312 265 R CA -0.573 55.517 56.100 -0.016 0.000 1.093 265 R CB 0.374 30.666 30.300 -0.014 0.000 1.583 265 R HN 0.598 nan 8.270 nan 0.000 0.535 266 I N 0.373 120.940 120.570 -0.006 0.000 2.828 266 I HA 0.196 4.366 4.170 -0.000 0.000 0.295 266 I C -0.679 175.442 176.117 0.006 0.000 1.459 266 I CA -0.772 60.528 61.300 0.000 0.000 1.015 266 I CB 2.187 40.205 38.000 0.030 0.000 1.345 266 I HN 0.979 nan 8.210 nan 0.000 0.449 267 N N 3.054 121.757 118.700 0.005 0.000 2.784 267 N HA 0.146 4.886 4.740 -0.000 0.000 0.227 267 N C -0.287 175.230 175.510 0.012 0.000 1.109 267 N CA -0.016 53.038 53.050 0.006 0.000 1.184 267 N CB 0.038 38.525 38.487 -0.000 0.000 1.554 267 N HN 0.442 nan 8.380 nan 0.000 0.589 268 D N 1.153 121.560 120.400 0.012 0.000 2.340 268 D HA 0.294 4.934 4.640 -0.000 0.000 0.251 268 D C -1.521 174.794 176.300 0.024 0.000 1.080 268 D CA -1.620 52.389 54.000 0.015 0.000 0.971 268 D CB 1.864 42.671 40.800 0.011 0.000 1.137 268 D HN 0.169 nan 8.370 nan 0.000 0.475 269 P HA -0.154 nan 4.420 nan 0.000 0.226 269 P C 1.244 178.565 177.300 0.035 0.000 1.153 269 P CA 0.940 64.059 63.100 0.031 0.000 0.777 269 P CB 0.196 31.910 31.700 0.023 0.000 0.794 270 T N -0.671 113.900 114.554 0.028 0.000 2.788 270 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 270 T C 2.073 176.795 174.700 0.037 0.000 1.044 270 T CA 1.685 63.801 62.100 0.027 0.000 1.139 270 T CB -0.425 68.453 68.868 0.018 0.000 0.867 270 T HN -0.046 nan 8.240 nan 0.000 0.454 271 Q N -0.142 119.681 119.800 0.038 0.000 2.123 271 Q HA 0.021 4.361 4.340 -0.000 0.000 0.199 271 Q C 2.240 178.304 176.000 0.107 0.000 0.966 271 Q CA 1.393 57.222 55.803 0.045 0.000 0.845 271 Q CB -0.284 28.465 28.738 0.018 0.000 0.907 271 Q HN 0.467 nan 8.270 nan 0.000 0.439 272 M N -0.075 119.594 119.600 0.115 0.000 2.180 272 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 272 M C 1.968 178.356 176.300 0.148 0.000 1.071 272 M CA 1.703 57.098 55.300 0.159 0.000 1.096 272 M CB -1.607 31.047 32.600 0.091 0.000 1.276 272 M HN 0.204 nan 8.290 nan 0.000 0.426 273 Q N 1.074 120.925 119.800 0.085 0.000 1.943 273 Q HA -0.188 4.152 4.340 -0.000 0.000 0.213 273 Q C 1.995 178.046 176.000 0.086 0.000 1.017 273 Q CA 1.851 57.691 55.803 0.062 0.000 0.874 273 Q CB -0.816 27.948 28.738 0.043 0.000 0.960 273 Q HN 0.546 nan 8.270 nan 0.000 0.417 274 K N -0.351 120.105 120.400 0.092 0.000 2.442 274 K HA -0.133 4.187 4.320 -0.000 0.000 0.200 274 K C 1.899 178.608 176.600 0.181 0.000 1.045 274 K CA 0.633 56.980 56.287 0.100 0.000 0.937 274 K CB -0.241 32.300 32.500 0.069 0.000 0.757 274 K HN 0.248 nan 8.250 nan 0.000 0.474 275 F N 0.572 120.524 119.950 0.003 0.000 2.123 275 F HA -0.082 4.445 4.527 -0.000 0.000 0.289 275 F C 1.682 177.483 175.800 0.002 0.000 1.099 275 F CA 0.560 58.561 58.000 0.002 0.000 1.234 275 F CB 0.151 39.152 39.000 0.001 0.000 1.034 275 F HN -0.127 nan 8.300 nan 0.000 0.479 276 L N 0.151 121.315 121.223 -0.099 0.000 2.291 276 L HA -0.136 4.204 4.340 -0.000 0.000 0.214 276 L C 1.538 178.362 176.870 -0.077 0.000 1.120 276 L CA 0.504 55.206 54.840 -0.230 0.000 0.799 276 L CB -0.672 41.268 42.059 -0.198 0.000 0.925 276 L HN 0.172 nan 8.230 nan 0.000 0.446 277 D N 0.482 120.883 120.400 0.001 0.000 2.091 277 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 277 D C 2.050 178.368 176.300 0.029 0.000 0.980 277 D CA 1.486 55.496 54.000 0.017 0.000 0.831 277 D CB -0.093 40.727 40.800 0.033 0.000 0.987 277 D HN 0.493 nan 8.370 nan 0.000 0.460 278 E N 0.949 121.184 120.200 0.057 0.000 2.150 278 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 278 E C 1.876 178.504 176.600 0.047 0.000 0.985 278 E CA 0.935 57.370 56.400 0.059 0.000 0.814 278 E CB -0.290 29.458 29.700 0.080 0.000 0.752 278 E HN 0.321 nan 8.360 nan 0.000 0.466 279 E N 1.202 121.428 120.200 0.043 0.000 2.204 279 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 279 E C 2.068 178.651 176.600 -0.028 0.000 0.989 279 E CA 1.127 57.531 56.400 0.005 0.000 0.824 279 E CB 0.068 29.722 29.700 -0.077 0.000 0.756 279 E HN 0.481 nan 8.360 nan 0.000 0.477 280 E N 0.171 120.353 120.200 -0.029 0.000 2.170 280 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 280 E C 1.488 178.085 176.600 -0.005 0.000 0.981 280 E CA 0.693 57.079 56.400 -0.022 0.000 0.830 280 E CB 0.023 29.716 29.700 -0.011 0.000 0.775 280 E HN 0.323 nan 8.360 nan 0.000 0.470 281 N N 0.336 119.043 118.700 0.011 0.000 2.512 281 N HA -0.093 4.646 4.740 -0.000 0.000 0.183 281 N C 1.711 177.215 175.510 -0.010 0.000 1.073 281 N CA -0.007 53.054 53.050 0.019 0.000 0.911 281 N CB 0.116 38.624 38.487 0.035 0.000 0.964 281 N HN 0.133 nan 8.380 nan 0.000 0.447 282 L N 1.090 122.305 121.223 -0.014 0.000 2.072 282 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 282 L C 1.734 178.572 176.870 -0.053 0.000 1.079 282 L CA 1.311 56.138 54.840 -0.021 0.000 0.752 282 L CB -0.193 41.863 42.059 -0.005 0.000 0.906 282 L HN 0.086 nan 8.230 nan 0.000 0.436 283 I N -0.456 120.070 120.570 -0.073 0.000 2.406 283 I HA -0.182 3.988 4.170 -0.000 0.000 0.249 283 I C 2.281 178.278 176.117 -0.200 0.000 1.122 283 I CA 1.039 62.272 61.300 -0.112 0.000 1.431 283 I CB -1.246 36.692 38.000 -0.104 0.000 1.087 283 I HN 0.302 nan 8.210 nan 0.000 0.424 284 K N 0.608 120.862 120.400 -0.243 0.000 2.209 284 K HA -0.227 4.093 4.320 -0.000 0.000 0.204 284 K C 1.935 178.363 176.600 -0.288 0.000 1.048 284 K CA 1.140 57.143 56.287 -0.474 0.000 0.940 284 K CB -0.011 32.342 32.500 -0.247 0.000 0.729 284 K HN 0.187 nan 8.250 nan 0.000 0.451 285 E N 2.078 122.193 120.200 -0.143 0.000 2.015 285 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 285 E C 1.525 178.070 176.600 -0.092 0.000 0.991 285 E CA 1.672 58.023 56.400 -0.082 0.000 0.802 285 E CB 0.045 29.717 29.700 -0.046 0.000 0.759 285 E HN 0.121 nan 8.360 nan 0.000 0.447 286 K N -0.100 120.242 120.400 -0.098 0.000 2.074 286 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 286 K C 2.199 178.737 176.600 -0.103 0.000 1.048 286 K CA 1.625 57.862 56.287 -0.084 0.000 0.926 286 K CB -0.348 32.105 32.500 -0.079 0.000 0.713 286 K HN 0.058 nan 8.250 nan 0.000 0.444 287 V N 2.231 122.041 119.914 -0.174 0.000 2.287 287 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 287 V C 1.818 177.845 176.094 -0.111 0.000 1.053 287 V CA 1.973 64.159 62.300 -0.190 0.000 1.027 287 V CB -0.440 31.139 31.823 -0.408 0.000 0.646 287 V HN 0.319 nan 8.190 nan 0.000 0.447 288 D N -0.310 120.028 120.400 -0.103 0.000 2.178 288 D HA -0.164 4.476 4.640 -0.000 0.000 0.202 288 D C 2.169 178.464 176.300 -0.008 0.000 0.974 288 D CA 1.127 55.120 54.000 -0.011 0.000 0.841 288 D CB -0.104 40.706 40.800 0.018 0.000 0.953 288 D HN 0.416 nan 8.370 nan 0.000 0.478 289 K N 0.509 120.893 120.400 -0.027 0.000 2.283 289 K HA -0.044 4.276 4.320 -0.000 0.000 0.202 289 K C 2.068 178.659 176.600 -0.015 0.000 1.048 289 K CA 0.480 56.757 56.287 -0.018 0.000 0.948 289 K CB 0.155 32.640 32.500 -0.024 0.000 0.742 289 K HN 0.114 nan 8.250 nan 0.000 0.458 290 I N 0.296 120.853 120.570 -0.022 0.000 2.494 290 I HA -0.169 4.001 4.170 -0.000 0.000 0.250 290 I C 1.697 177.812 176.117 -0.003 0.000 1.112 290 I CA 0.518 61.808 61.300 -0.017 0.000 1.438 290 I CB 0.051 38.035 38.000 -0.026 0.000 1.111 290 I HN 0.084 nan 8.210 nan 0.000 0.431 291 L N 0.947 122.174 121.223 0.006 0.000 2.456 291 L HA -0.089 4.251 4.340 -0.000 0.000 0.224 291 L C 2.604 179.489 176.870 0.025 0.000 1.148 291 L CA 0.458 55.312 54.840 0.025 0.000 0.825 291 L CB -0.608 41.480 42.059 0.047 0.000 0.937 291 L HN 0.214 nan 8.230 nan 0.000 0.450 292 A N -0.793 122.037 122.820 0.016 0.000 2.131 292 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 292 A C 2.391 179.986 177.584 0.018 0.000 1.158 292 A CA 2.175 54.222 52.037 0.017 0.000 0.665 292 A CB -0.519 18.487 19.000 0.009 0.000 0.795 292 A HN 0.359 nan 8.150 nan 0.000 0.460 293 T N -1.687 112.877 114.554 0.017 0.000 3.037 293 T HA 0.373 4.723 4.350 -0.000 0.000 0.251 293 T C 0.934 175.653 174.700 0.033 0.000 1.079 293 T CA 1.355 63.467 62.100 0.019 0.000 1.067 293 T CB -0.450 68.421 68.868 0.005 0.000 0.948 293 T HN 1.668 nan 8.240 nan 0.000 0.496 294 G N 1.501 110.321 108.800 0.033 0.000 2.587 294 G HA2 0.159 4.119 3.960 -0.000 0.000 0.274 294 G HA3 0.159 4.119 3.960 -0.000 0.000 0.274 294 G C -0.161 174.768 174.900 0.049 0.000 1.046 294 G CA -0.106 45.019 45.100 0.043 0.000 1.308 294 G HN 0.884 nan 8.290 nan 0.000 0.529 295 A N 1.792 124.635 122.820 0.039 0.000 2.337 295 A HA 0.791 5.111 4.320 -0.000 0.000 0.329 295 A C 1.111 178.721 177.584 0.043 0.000 1.146 295 A CA -0.310 51.749 52.037 0.037 0.000 0.800 295 A CB 0.786 19.794 19.000 0.014 0.000 1.220 295 A HN 0.451 nan 8.150 nan 0.000 0.472 296 N N 0.352 119.083 118.700 0.052 0.000 2.300 296 N HA -0.027 4.713 4.740 -0.000 0.000 0.179 296 N C 0.211 175.747 175.510 0.042 0.000 1.016 296 N CA 1.214 54.294 53.050 0.050 0.000 0.876 296 N CB 0.340 38.862 38.487 0.058 0.000 0.979 296 N HN 0.445 nan 8.380 nan 0.000 0.432 297 V N 0.547 120.482 119.914 0.036 0.000 3.007 297 V HA 0.599 4.719 4.120 -0.000 0.000 0.311 297 V C -1.656 174.448 176.094 0.015 0.000 1.120 297 V CA -0.920 61.396 62.300 0.028 0.000 0.980 297 V CB 2.876 34.716 31.823 0.029 0.000 1.033 297 V HN 0.008 nan 8.190 nan 0.000 0.429 298 I N 7.254 127.831 120.570 0.012 0.000 2.571 298 I HA 0.547 4.717 4.170 -0.000 0.000 0.286 298 I C -1.606 174.510 176.117 -0.002 0.000 1.134 298 I CA -0.626 60.675 61.300 0.001 0.000 1.052 298 I CB 1.503 39.503 38.000 0.001 0.000 1.237 298 I HN 0.716 nan 8.210 nan 0.000 0.435 299 I N 6.441 127.006 120.570 -0.008 0.000 2.608 299 I HA 0.732 4.902 4.170 -0.000 0.000 0.295 299 I C -0.462 175.646 176.117 -0.014 0.000 1.049 299 I CA -0.553 60.741 61.300 -0.010 0.000 1.063 299 I CB 0.813 38.806 38.000 -0.012 0.000 1.248 299 I HN 0.781 nan 8.210 nan 0.000 0.424 300 C N 3.766 123.058 119.300 -0.014 0.000 3.259 300 C HA 0.736 5.196 4.460 -0.000 0.000 0.328 300 C C 0.106 175.087 174.990 -0.015 0.000 1.425 300 C CA -0.481 58.528 59.018 -0.015 0.000 1.465 300 C CB 1.614 29.344 27.740 -0.017 0.000 1.890 300 C HN 0.961 nan 8.230 nan 0.000 0.450 301 Q N 0.629 120.421 119.800 -0.014 0.000 2.354 301 Q HA 0.627 4.967 4.340 -0.000 0.000 0.372 301 Q C -0.550 175.443 176.000 -0.013 0.000 0.923 301 Q CA -0.220 55.575 55.803 -0.013 0.000 1.123 301 Q CB 0.279 29.010 28.738 -0.012 0.000 1.298 301 Q HN 0.617 nan 8.270 nan 0.000 0.419 302 K N -0.224 120.168 120.400 -0.013 0.000 2.533 302 K HA 0.574 4.894 4.320 -0.000 0.000 0.284 302 K C -0.933 175.659 176.600 -0.013 0.000 1.025 302 K CA -0.443 55.836 56.287 -0.013 0.000 0.900 302 K CB 1.514 34.005 32.500 -0.014 0.000 1.519 302 K HN 0.263 nan 8.250 nan 0.000 0.432 303 G N 1.725 110.517 108.800 -0.012 0.000 2.358 303 G HA2 0.393 4.353 3.960 -0.000 0.000 0.273 303 G HA3 0.393 4.353 3.960 -0.000 0.000 0.273 303 G C -0.353 174.538 174.900 -0.015 0.000 1.215 303 G CA -0.302 44.791 45.100 -0.012 0.000 0.910 303 G HN 0.439 nan 8.290 nan 0.000 0.467 304 I N 2.114 122.676 120.570 -0.013 0.000 2.342 304 I HA 0.077 4.247 4.170 -0.000 0.000 0.291 304 I C 0.349 176.455 176.117 -0.018 0.000 1.010 304 I CA -0.690 60.600 61.300 -0.017 0.000 1.308 304 I CB 1.426 39.418 38.000 -0.013 0.000 1.400 304 I HN 0.430 nan 8.210 nan 0.000 0.488 305 D N 5.266 125.651 120.400 -0.026 0.000 2.478 305 D HA -0.111 4.529 4.640 -0.000 0.000 0.234 305 D C 1.441 177.725 176.300 -0.026 0.000 1.154 305 D CA 0.214 54.198 54.000 -0.028 0.000 0.874 305 D CB 0.945 41.722 40.800 -0.038 0.000 1.198 305 D HN 0.584 nan 8.370 nan 0.000 0.455 306 E N 2.531 122.717 120.200 -0.023 0.000 2.274 306 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 306 E C 1.649 178.221 176.600 -0.046 0.000 0.996 306 E CA 0.647 57.032 56.400 -0.025 0.000 0.840 306 E CB -0.247 29.446 29.700 -0.010 0.000 0.772 306 E HN 0.364 nan 8.360 nan 0.000 0.491 307 V N 1.646 121.538 119.914 -0.037 0.000 2.649 307 V HA -0.012 4.107 4.120 -0.000 0.000 0.248 307 V C 2.557 178.645 176.094 -0.010 0.000 1.054 307 V CA 1.390 63.673 62.300 -0.029 0.000 1.073 307 V CB -0.518 31.291 31.823 -0.023 0.000 0.699 307 V HN 0.377 nan 8.190 nan 0.000 0.463 308 A N -0.628 122.178 122.820 -0.024 0.000 2.119 308 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 308 A C 2.161 179.743 177.584 -0.003 0.000 1.153 308 A CA 1.181 53.203 52.037 -0.025 0.000 0.692 308 A CB -0.279 18.681 19.000 -0.066 0.000 0.799 308 A HN 0.626 nan 8.150 nan 0.000 0.458 309 Q N -0.763 119.009 119.800 -0.046 0.000 2.062 309 Q HA -0.055 4.285 4.340 -0.000 0.000 0.196 309 Q C 2.258 178.145 176.000 -0.189 0.000 0.967 309 Q CA 1.459 57.205 55.803 -0.095 0.000 0.832 309 Q CB -0.167 28.496 28.738 -0.126 0.000 0.899 309 Q HN 0.574 nan 8.270 nan 0.000 0.442 310 S N 0.157 115.720 115.700 -0.227 0.000 2.419 310 S HA -0.162 4.308 4.470 -0.000 0.000 0.233 310 S C 1.516 176.078 174.600 -0.063 0.000 1.016 310 S CA 0.945 59.009 58.200 -0.227 0.000 0.974 310 S CB -0.243 62.868 63.200 -0.147 0.000 0.786 310 S HN 0.383 nan 8.310 nan 0.000 0.492 311 Y N 1.837 122.073 120.300 -0.106 0.000 2.206 311 Y HA 0.083 4.633 4.550 -0.000 0.000 0.292 311 Y C 1.801 177.674 175.900 -0.045 0.000 1.123 311 Y CA 1.073 59.136 58.100 -0.061 0.000 1.142 311 Y CB -0.400 38.031 38.460 -0.048 0.000 1.006 311 Y HN 0.132 nan 8.280 nan 0.000 0.518 312 L N -0.508 120.873 121.223 0.264 0.000 2.141 312 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 312 L C 2.664 179.589 176.870 0.090 0.000 1.094 312 L CA 0.987 55.933 54.840 0.176 0.000 0.763 312 L CB -0.822 41.296 42.059 0.098 0.000 0.908 312 L HN 0.296 nan 8.230 nan 0.000 0.437 313 A N 0.026 122.873 122.820 0.045 0.000 1.898 313 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 313 A C 2.378 179.980 177.584 0.031 0.000 1.181 313 A CA 1.711 53.785 52.037 0.062 0.000 0.620 313 A CB -0.345 18.685 19.000 0.050 0.000 0.819 313 A HN 0.282 nan 8.150 nan 0.000 0.442 314 K N -0.776 119.608 120.400 -0.027 0.000 2.288 314 K HA -0.066 4.254 4.320 -0.000 0.000 0.201 314 K C 1.541 178.101 176.600 -0.067 0.000 1.048 314 K CA 0.877 57.123 56.287 -0.068 0.000 0.956 314 K CB 0.047 32.458 32.500 -0.150 0.000 0.746 314 K HN 0.127 nan 8.250 nan 0.000 0.461 315 K N -0.603 119.772 120.400 -0.041 0.000 2.305 315 K HA 0.028 4.348 4.320 -0.000 0.000 0.199 315 K C 0.813 177.427 176.600 0.024 0.000 1.047 315 K CA 1.005 57.290 56.287 -0.004 0.000 0.976 315 K CB 0.430 32.976 32.500 0.076 0.000 0.765 315 K HN 0.386 nan 8.250 nan 0.000 0.474 316 G N 1.259 110.079 108.800 0.033 0.000 2.203 316 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.231 316 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.231 316 G C -0.122 174.806 174.900 0.047 0.000 1.058 316 G CA 0.124 45.247 45.100 0.038 0.000 0.781 316 G HN 0.060 nan 8.290 nan 0.000 0.496 317 V N 0.095 120.043 119.914 0.057 0.000 2.713 317 V HA 0.782 4.902 4.120 -0.000 0.000 0.307 317 V C 0.345 176.472 176.094 0.054 0.000 1.052 317 V CA -1.021 61.312 62.300 0.055 0.000 0.967 317 V CB 1.926 33.786 31.823 0.061 0.000 1.019 317 V HN 0.483 nan 8.190 nan 0.000 0.459 318 L N 3.566 124.816 121.223 0.045 0.000 2.294 318 L HA 0.842 5.182 4.340 -0.000 0.000 0.283 318 L C 0.017 176.907 176.870 0.032 0.000 1.015 318 L CA -0.060 54.804 54.840 0.041 0.000 0.831 318 L CB 0.491 42.571 42.059 0.036 0.000 1.217 318 L HN 0.807 nan 8.230 nan 0.000 0.420 319 A N 4.621 127.462 122.820 0.034 0.000 2.380 319 A HA 0.894 5.214 4.320 -0.000 0.000 0.315 319 A C -1.327 176.267 177.584 0.016 0.000 1.101 319 A CA -0.588 51.462 52.037 0.022 0.000 0.771 319 A CB 1.787 20.801 19.000 0.024 0.000 1.287 319 A HN 0.463 nan 8.150 nan 0.000 0.436 320 V N 2.776 122.692 119.914 0.004 0.000 2.604 320 V HA 0.415 4.535 4.120 -0.000 0.000 0.305 320 V C 0.735 176.825 176.094 -0.006 0.000 1.043 320 V CA -0.899 61.398 62.300 -0.004 0.000 0.888 320 V CB 1.504 33.317 31.823 -0.016 0.000 0.995 320 V HN 1.039 nan 8.190 nan 0.000 0.429 321 R N 1.943 122.439 120.500 -0.006 0.000 2.951 321 R HA 0.224 4.564 4.340 -0.000 0.000 0.141 321 R C 0.342 176.635 176.300 -0.012 0.000 0.691 321 R CA -0.251 55.845 56.100 -0.007 0.000 1.548 321 R CB 0.146 30.444 30.300 -0.005 0.000 0.559 321 R HN 0.599 nan 8.270 nan 0.000 0.572 322 R N -0.131 120.361 120.500 -0.012 0.000 2.623 322 R HA 0.243 4.583 4.340 -0.000 0.000 0.271 322 R C -0.395 175.895 176.300 -0.016 0.000 1.043 322 R CA 0.328 56.420 56.100 -0.013 0.000 1.083 322 R CB 0.334 30.626 30.300 -0.012 0.000 0.974 322 R HN 0.541 nan 8.270 nan 0.000 0.436 323 A N 2.583 125.393 122.820 -0.017 0.000 2.480 323 A HA 0.219 4.539 4.320 -0.000 0.000 0.289 323 A C -0.845 176.729 177.584 -0.016 0.000 1.044 323 A CA -0.937 51.088 52.037 -0.019 0.000 0.761 323 A CB 1.176 20.163 19.000 -0.022 0.000 1.289 323 A HN 0.486 nan 8.150 nan 0.000 0.401 324 K N 1.870 122.261 120.400 -0.016 0.000 2.477 324 K HA -0.085 4.235 4.320 -0.000 0.000 0.275 324 K C 1.191 177.785 176.600 -0.011 0.000 1.054 324 K CA 0.373 56.652 56.287 -0.012 0.000 1.135 324 K CB 0.562 33.054 32.500 -0.012 0.000 0.854 324 K HN 0.841 nan 8.250 nan 0.000 0.484 325 K N 2.173 122.568 120.400 -0.009 0.000 2.218 325 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 325 K C 1.440 178.036 176.600 -0.006 0.000 1.046 325 K CA 1.642 57.925 56.287 -0.007 0.000 0.933 325 K CB 0.125 32.621 32.500 -0.006 0.000 0.728 325 K HN 0.465 nan 8.250 nan 0.000 0.454 326 S N 1.395 117.092 115.700 -0.005 0.000 2.407 326 S HA -0.192 4.278 4.470 -0.000 0.000 0.235 326 S C 1.200 175.798 174.600 -0.004 0.000 1.036 326 S CA 1.917 60.115 58.200 -0.004 0.000 1.013 326 S CB -0.362 62.835 63.200 -0.005 0.000 0.820 326 S HN 0.658 nan 8.310 nan 0.000 0.476 327 D N 0.419 120.815 120.400 -0.006 0.000 2.388 327 D HA 0.104 4.743 4.640 -0.000 0.000 0.208 327 D C 1.669 177.966 176.300 -0.005 0.000 1.035 327 D CA 0.060 54.057 54.000 -0.006 0.000 0.875 327 D CB -0.712 40.081 40.800 -0.011 0.000 0.984 327 D HN 0.323 nan 8.370 nan 0.000 0.508 328 L N 0.523 121.742 121.223 -0.007 0.000 2.046 328 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 328 L C 2.380 179.248 176.870 -0.004 0.000 1.077 328 L CA 1.604 56.440 54.840 -0.007 0.000 0.747 328 L CB -0.372 41.681 42.059 -0.009 0.000 0.896 328 L HN 0.041 nan 8.230 nan 0.000 0.432 329 E N 0.183 120.382 120.200 -0.002 0.000 2.031 329 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 329 E C 2.145 178.748 176.600 0.005 0.000 0.994 329 E CA 1.160 57.562 56.400 0.002 0.000 0.800 329 E CB -0.121 29.581 29.700 0.004 0.000 0.752 329 E HN 0.383 nan 8.360 nan 0.000 0.447 330 K N 0.576 120.980 120.400 0.006 0.000 2.211 330 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 330 K C 2.137 178.745 176.600 0.013 0.000 1.047 330 K CA 0.748 57.041 56.287 0.010 0.000 0.935 330 K CB -0.072 32.433 32.500 0.009 0.000 0.728 330 K HN 0.149 nan 8.250 nan 0.000 0.452 331 L N -0.353 120.876 121.223 0.009 0.000 2.375 331 L HA 0.044 4.384 4.340 -0.000 0.000 0.215 331 L C 2.064 178.937 176.870 0.006 0.000 1.108 331 L CA 0.349 55.195 54.840 0.011 0.000 0.830 331 L CB -0.078 41.985 42.059 0.005 0.000 0.959 331 L HN 0.077 nan 8.230 nan 0.000 0.457 332 A N 1.643 124.463 122.820 0.001 0.000 1.824 332 A HA -0.237 4.083 4.320 -0.000 0.000 0.215 332 A C 2.129 179.713 177.584 -0.000 0.000 1.209 332 A CA 1.827 53.861 52.037 -0.005 0.000 0.614 332 A CB -0.652 18.345 19.000 -0.005 0.000 0.852 332 A HN 0.588 nan 8.150 nan 0.000 0.447 333 R N -0.202 120.303 120.500 0.008 0.000 2.346 333 R HA 0.345 4.685 4.340 -0.000 0.000 0.199 333 R C 1.408 177.722 176.300 0.023 0.000 1.015 333 R CA 0.956 57.065 56.100 0.015 0.000 1.058 333 R CB -0.299 30.013 30.300 0.020 0.000 0.921 333 R HN 0.337 nan 8.270 nan 0.000 0.475 334 A N 1.063 123.897 122.820 0.023 0.000 2.044 334 A HA -0.007 4.312 4.320 -0.000 0.000 0.213 334 A C 1.780 179.388 177.584 0.040 0.000 1.169 334 A CA 0.869 52.927 52.037 0.034 0.000 0.724 334 A CB 0.152 19.174 19.000 0.036 0.000 0.840 334 A HN 0.466 nan 8.150 nan 0.000 0.463 335 T N -4.605 109.966 114.554 0.028 0.000 3.132 335 T HA 0.436 4.786 4.350 -0.000 0.000 0.274 335 T C 0.949 175.657 174.700 0.013 0.000 1.011 335 T CA 0.733 62.852 62.100 0.032 0.000 0.899 335 T CB -0.109 68.771 68.868 0.020 0.000 1.089 335 T HN 1.615 nan 8.240 nan 0.000 0.543 336 G N 0.295 109.102 108.800 0.011 0.000 2.367 336 G HA2 0.209 4.169 3.960 -0.000 0.000 0.295 336 G HA3 0.209 4.169 3.960 -0.000 0.000 0.295 336 G C 0.254 175.119 174.900 -0.057 0.000 1.019 336 G CA -0.143 44.956 45.100 -0.001 0.000 1.224 336 G HN 1.158 nan 8.290 nan 0.000 0.510 337 G N -0.921 107.845 108.800 -0.058 0.000 2.766 337 G HA2 0.813 4.773 3.960 -0.000 0.000 0.288 337 G HA3 0.813 4.773 3.960 -0.000 0.000 0.288 337 G C -0.589 174.280 174.900 -0.052 0.000 1.408 337 G CA -0.469 44.579 45.100 -0.087 0.000 0.852 337 G HN 0.623 nan 8.290 nan 0.000 0.487 338 R N -0.739 119.730 120.500 -0.053 0.000 2.787 338 R HA 0.603 4.943 4.340 -0.000 0.000 0.271 338 R C -1.140 175.141 176.300 -0.031 0.000 0.993 338 R CA -0.597 55.483 56.100 -0.034 0.000 0.993 338 R CB 2.070 32.352 30.300 -0.030 0.000 1.155 338 R HN 0.257 nan 8.270 nan 0.000 0.486 339 V N 4.369 124.270 119.914 -0.022 0.000 2.299 339 V HA 0.100 4.220 4.120 -0.000 0.000 0.255 339 V C 0.058 176.141 176.094 -0.018 0.000 1.100 339 V CA -0.568 61.721 62.300 -0.019 0.000 0.938 339 V CB 0.876 32.691 31.823 -0.013 0.000 1.139 339 V HN 0.535 nan 8.190 nan 0.000 0.490 340 V N 4.525 124.426 119.914 -0.022 0.000 2.539 340 V HA -0.103 4.017 4.120 -0.000 0.000 0.294 340 V C 1.629 177.713 176.094 -0.016 0.000 0.994 340 V CA 1.288 63.576 62.300 -0.020 0.000 1.169 340 V CB 0.328 32.137 31.823 -0.023 0.000 0.898 340 V HN 0.987 nan 8.190 nan 0.000 0.471 341 S N 3.855 119.547 115.700 -0.014 0.000 2.329 341 S HA -0.058 4.412 4.470 -0.000 0.000 0.215 341 S C 1.061 175.654 174.600 -0.012 0.000 1.031 341 S CA 0.854 59.047 58.200 -0.012 0.000 0.985 341 S CB -0.028 63.167 63.200 -0.009 0.000 0.917 341 S HN 0.856 nan 8.310 nan 0.000 0.441 342 N N 1.048 119.740 118.700 -0.012 0.000 2.443 342 N HA 0.205 4.945 4.740 -0.000 0.000 0.269 342 N C 1.103 176.605 175.510 -0.014 0.000 0.985 342 N CA -0.216 52.827 53.050 -0.012 0.000 0.921 342 N CB 1.192 39.673 38.487 -0.010 0.000 1.195 342 N HN 0.501 nan 8.380 nan 0.000 0.492 343 I N 0.240 120.800 120.570 -0.017 0.000 2.399 343 I HA -0.196 3.974 4.170 -0.000 0.000 0.254 343 I C 0.236 176.343 176.117 -0.017 0.000 1.146 343 I CA 1.372 62.660 61.300 -0.020 0.000 1.412 343 I CB -0.160 37.825 38.000 -0.025 0.000 1.076 343 I HN 0.240 nan 8.210 nan 0.000 0.432 344 D N 1.075 121.467 120.400 -0.014 0.000 2.338 344 D HA -0.024 4.616 4.640 -0.000 0.000 0.239 344 D C 1.392 177.687 176.300 -0.009 0.000 1.095 344 D CA 0.478 54.471 54.000 -0.011 0.000 0.888 344 D CB 0.054 40.849 40.800 -0.009 0.000 0.899 344 D HN 0.464 nan 8.370 nan 0.000 0.525 345 E N -0.348 119.846 120.200 -0.010 0.000 2.641 345 E HA 0.158 4.508 4.350 -0.000 0.000 0.224 345 E C 0.619 177.213 176.600 -0.009 0.000 0.951 345 E CA -0.296 56.099 56.400 -0.008 0.000 1.102 345 E CB 0.956 30.651 29.700 -0.008 0.000 1.091 345 E HN 0.317 nan 8.360 nan 0.000 0.507 346 I N 1.958 122.521 120.570 -0.012 0.000 2.880 346 I HA -0.114 4.056 4.170 -0.000 0.000 0.296 346 I C 0.581 176.692 176.117 -0.010 0.000 1.220 346 I CA 0.880 62.171 61.300 -0.014 0.000 1.435 346 I CB 0.297 38.288 38.000 -0.016 0.000 1.339 346 I HN -0.163 nan 8.210 nan 0.000 0.583 347 S N 3.797 119.490 115.700 -0.013 0.000 2.638 347 S HA 0.262 4.732 4.470 -0.000 0.000 0.302 347 S C 0.274 174.870 174.600 -0.007 0.000 1.096 347 S CA -0.747 57.449 58.200 -0.007 0.000 0.953 347 S CB 1.712 64.909 63.200 -0.006 0.000 1.107 347 S HN 0.510 nan 8.310 nan 0.000 0.503 348 E N 1.165 121.369 120.200 0.006 0.000 2.482 348 E HA -0.075 4.275 4.350 -0.000 0.000 0.200 348 E C 1.217 177.828 176.600 0.018 0.000 1.147 348 E CA 0.397 56.809 56.400 0.020 0.000 0.912 348 E CB -0.310 29.410 29.700 0.034 0.000 0.938 348 E HN 0.627 nan 8.360 nan 0.000 0.519 349 Q N -2.165 117.627 119.800 -0.013 0.000 2.237 349 Q HA 0.081 4.421 4.340 -0.000 0.000 0.254 349 Q C 0.454 176.404 176.000 -0.084 0.000 0.771 349 Q CA -0.138 55.644 55.803 -0.035 0.000 0.958 349 Q CB -0.049 28.688 28.738 -0.002 0.000 1.202 349 Q HN -0.051 nan 8.270 nan 0.000 0.492 350 D N 2.672 123.034 120.400 -0.062 0.000 2.393 350 D HA -0.037 4.603 4.640 -0.000 0.000 0.220 350 D C 0.655 176.893 176.300 -0.103 0.000 0.974 350 D CA 0.807 54.767 54.000 -0.067 0.000 0.931 350 D CB -0.106 40.668 40.800 -0.043 0.000 0.889 350 D HN 0.494 nan 8.370 nan 0.000 0.512 351 L N -1.683 119.447 121.223 -0.155 0.000 2.289 351 L HA 0.689 5.029 4.340 -0.000 0.000 0.285 351 L C 0.590 177.229 176.870 -0.386 0.000 1.049 351 L CA -1.014 53.700 54.840 -0.208 0.000 0.804 351 L CB 1.562 43.515 42.059 -0.177 0.000 1.195 351 L HN -0.227 nan 8.230 nan 0.000 0.428 352 G N 2.058 110.687 108.800 -0.286 0.000 2.476 352 G HA2 0.432 4.392 3.960 -0.000 0.000 0.269 352 G HA3 0.432 4.392 3.960 -0.000 0.000 0.269 352 G C -1.162 173.535 174.900 -0.338 0.000 1.195 352 G CA -0.375 44.541 45.100 -0.307 0.000 0.843 352 G HN 0.575 nan 8.290 nan 0.000 0.545 353 Y N -0.337 119.974 120.300 0.018 0.000 2.453 353 Y HA 0.682 5.232 4.550 -0.000 0.000 0.326 353 Y C 0.737 176.651 175.900 0.024 0.000 1.186 353 Y CA -0.146 57.965 58.100 0.019 0.000 1.200 353 Y CB 1.997 40.467 38.460 0.017 0.000 1.247 353 Y HN 0.796 nan 8.280 nan 0.000 0.482 354 A N -0.032 122.917 122.820 0.216 0.000 2.583 354 A HA 0.734 5.054 4.320 -0.000 0.000 0.299 354 A C -0.064 177.581 177.584 0.101 0.000 1.258 354 A CA -0.130 51.984 52.037 0.129 0.000 0.682 354 A CB 0.858 19.918 19.000 0.100 0.000 1.332 354 A HN 0.559 nan 8.150 nan 0.000 0.485 355 S N -1.548 114.198 115.700 0.077 0.000 2.830 355 S HA 0.444 4.914 4.470 -0.000 0.000 0.249 355 S C -0.311 174.320 174.600 0.052 0.000 1.084 355 S CA 0.408 58.640 58.200 0.055 0.000 0.852 355 S CB 0.386 63.612 63.200 0.043 0.000 0.802 355 S HN 0.741 nan 8.310 nan 0.000 0.481 356 L N 1.608 122.869 121.223 0.063 0.000 2.588 356 L HA 0.553 4.893 4.340 -0.000 0.000 0.263 356 L C -2.164 174.755 176.870 0.081 0.000 0.935 356 L CA -0.493 54.384 54.840 0.062 0.000 0.891 356 L CB 1.496 43.585 42.059 0.051 0.000 1.318 356 L HN 0.111 nan 8.230 nan 0.000 0.409 357 I N 3.745 124.364 120.570 0.081 0.000 2.562 357 I HA 0.581 4.750 4.170 -0.000 0.000 0.301 357 I C -0.362 175.820 176.117 0.107 0.000 1.003 357 I CA -0.618 60.741 61.300 0.097 0.000 1.127 357 I CB 1.944 39.988 38.000 0.073 0.000 1.304 357 I HN 0.581 nan 8.210 nan 0.000 0.446 358 E N 3.049 123.342 120.200 0.155 0.000 2.458 358 E HA 0.332 4.682 4.350 -0.000 0.000 0.278 358 E C -1.316 175.388 176.600 0.174 0.000 1.004 358 E CA -0.519 55.985 56.400 0.172 0.000 0.823 358 E CB 2.608 32.437 29.700 0.215 0.000 1.396 358 E HN 0.596 nan 8.360 nan 0.000 0.463 359 E N 1.443 121.736 120.200 0.156 0.000 4.090 359 E HA 0.184 4.534 4.350 -0.000 0.000 0.235 359 E C -0.910 175.762 176.600 0.121 0.000 1.187 359 E CA -0.080 56.367 56.400 0.079 0.000 1.308 359 E CB 0.446 30.158 29.700 0.020 0.000 1.222 359 E HN 0.225 nan 8.360 nan 0.000 0.414 360 R N 1.230 121.891 120.500 0.269 0.000 2.537 360 R HA 0.072 4.411 4.340 -0.000 0.000 0.280 360 R C 0.185 176.581 176.300 0.159 0.000 1.058 360 R CA -0.018 56.212 56.100 0.218 0.000 1.057 360 R CB 0.520 30.972 30.300 0.253 0.000 0.973 360 R HN 0.074 nan 8.270 nan 0.000 0.438 361 K N 1.522 121.976 120.400 0.090 0.000 3.277 361 K HA 0.098 4.418 4.320 -0.000 0.000 0.280 361 K C -0.296 176.343 176.600 0.065 0.000 1.182 361 K CA -0.147 56.173 56.287 0.055 0.000 1.219 361 K CB -0.252 32.267 32.500 0.031 0.000 1.373 361 K HN 0.152 nan 8.250 nan 0.000 0.392 362 V N 1.256 121.236 119.914 0.109 0.000 2.557 362 V HA 0.166 4.286 4.120 -0.000 0.000 0.301 362 V C 1.659 177.790 176.094 0.062 0.000 1.026 362 V CA 1.220 63.581 62.300 0.101 0.000 1.137 362 V CB -0.262 31.664 31.823 0.172 0.000 0.917 362 V HN 0.870 nan 8.190 nan 0.000 0.484 363 G N 4.280 113.105 108.800 0.042 0.000 4.163 363 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.300 363 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.300 363 G C 0.782 175.692 174.900 0.016 0.000 1.488 363 G CA 0.829 45.943 45.100 0.024 0.000 1.052 363 G HN 0.746 nan 8.290 nan 0.000 0.687 364 E N -0.427 119.780 120.200 0.012 0.000 3.203 364 E HA 0.149 4.499 4.350 -0.000 0.000 0.200 364 E C -0.041 176.561 176.600 0.003 0.000 1.089 364 E CA 0.275 56.678 56.400 0.005 0.000 1.430 364 E CB 0.343 30.043 29.700 0.000 0.000 1.328 364 E HN 0.485 nan 8.360 nan 0.000 0.580 365 D N 1.288 121.686 120.400 -0.002 0.000 2.414 365 D HA 0.186 4.826 4.640 -0.000 0.000 0.251 365 D C -0.353 175.940 176.300 -0.011 0.000 1.252 365 D CA 0.171 54.165 54.000 -0.010 0.000 0.999 365 D CB 0.827 41.616 40.800 -0.019 0.000 1.093 365 D HN 0.020 nan 8.370 nan 0.000 0.515 366 K N 0.295 120.680 120.400 -0.025 0.000 2.221 366 K HA 0.517 4.837 4.320 -0.000 0.000 0.258 366 K C -0.329 176.219 176.600 -0.086 0.000 0.944 366 K CA -0.428 55.838 56.287 -0.034 0.000 0.823 366 K CB 1.881 34.367 32.500 -0.022 0.000 1.113 366 K HN 0.254 nan 8.250 nan 0.000 0.431 367 M N 1.749 121.254 119.600 -0.157 0.000 2.602 367 M HA 0.373 4.853 4.480 -0.000 0.000 0.312 367 M C -0.628 175.382 176.300 -0.484 0.000 1.181 367 M CA -1.277 53.832 55.300 -0.319 0.000 0.910 367 M CB 2.323 34.667 32.600 -0.426 0.000 1.723 367 M HN 0.171 nan 8.290 nan 0.000 0.459 368 V N 1.932 121.578 119.914 -0.447 0.000 2.509 368 V HA 0.448 4.568 4.120 -0.000 0.000 0.284 368 V C -0.846 174.934 176.094 -0.523 0.000 1.047 368 V CA -0.245 61.844 62.300 -0.350 0.000 0.952 368 V CB 0.829 32.556 31.823 -0.160 0.000 0.988 368 V HN 0.528 nan 8.190 nan 0.000 0.469 369 F N 2.640 122.598 119.950 0.013 0.000 2.538 369 F HA 0.666 5.193 4.527 -0.000 0.000 0.325 369 F C 0.204 176.017 175.800 0.022 0.000 1.066 369 F CA -0.895 57.114 58.000 0.015 0.000 0.946 369 F CB 2.140 41.150 39.000 0.016 0.000 1.199 369 F HN 0.115 nan 8.300 nan 0.000 0.473 370 V N 1.678 121.730 119.914 0.230 0.000 2.468 370 V HA 0.194 4.314 4.120 -0.000 0.000 0.256 370 V C -0.349 175.828 176.094 0.138 0.000 0.998 370 V CA -0.755 61.630 62.300 0.142 0.000 1.114 370 V CB -0.060 31.818 31.823 0.092 0.000 1.378 370 V HN 0.712 nan 8.190 nan 0.000 0.573 371 E N 1.331 121.616 120.200 0.142 0.000 2.390 371 E HA 0.452 4.802 4.350 -0.000 0.000 0.261 371 E C 1.199 177.856 176.600 0.094 0.000 1.076 371 E CA 0.279 56.747 56.400 0.113 0.000 0.905 371 E CB 0.747 30.495 29.700 0.080 0.000 0.984 371 E HN 0.699 nan 8.360 nan 0.000 0.427 372 G N 1.125 109.982 108.800 0.095 0.000 2.295 372 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.287 372 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.287 372 G C 0.396 175.338 174.900 0.071 0.000 1.055 372 G CA 0.114 45.256 45.100 0.070 0.000 0.922 372 G HN 0.725 nan 8.290 nan 0.000 0.503 373 A N -0.470 122.399 122.820 0.082 0.000 2.339 373 A HA 0.594 4.914 4.320 -0.000 0.000 0.272 373 A C 1.689 179.320 177.584 0.079 0.000 1.182 373 A CA 1.518 53.604 52.037 0.082 0.000 0.819 373 A CB 0.204 19.251 19.000 0.078 0.000 1.115 373 A HN 0.835 nan 8.150 nan 0.000 0.512 374 K N -0.163 120.293 120.400 0.093 0.000 2.103 374 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 374 K C 0.598 177.241 176.600 0.071 0.000 1.052 374 K CA 1.132 57.478 56.287 0.098 0.000 0.945 374 K CB 0.003 32.593 32.500 0.150 0.000 0.722 374 K HN 0.676 nan 8.250 nan 0.000 0.443 375 N N 0.807 119.546 118.700 0.064 0.000 2.414 375 N HA 0.079 4.819 4.740 -0.000 0.000 0.256 375 N C -1.968 173.574 175.510 0.053 0.000 1.029 375 N CA -1.706 51.375 53.050 0.053 0.000 0.948 375 N CB 1.369 39.885 38.487 0.049 0.000 1.102 375 N HN -0.010 nan 8.380 nan 0.000 0.496 376 P HA -0.150 nan 4.420 nan 0.000 0.210 376 P C -0.209 177.127 177.300 0.059 0.000 1.191 376 P CA 1.313 64.438 63.100 0.042 0.000 0.917 376 P CB -0.133 31.581 31.700 0.022 0.000 0.778 377 K N 0.911 121.342 120.400 0.053 0.000 1.985 377 K HA 0.254 4.573 4.320 -0.000 0.000 0.234 377 K C -0.171 176.466 176.600 0.060 0.000 1.140 377 K CA 0.139 56.462 56.287 0.061 0.000 1.141 377 K CB -0.693 31.838 32.500 0.051 0.000 1.165 377 K HN -0.092 nan 8.250 nan 0.000 0.301 378 S N 3.722 119.467 115.700 0.076 0.000 2.277 378 S HA 0.300 4.770 4.470 -0.000 0.000 0.230 378 S C -0.794 173.854 174.600 0.080 0.000 0.893 378 S CA -0.951 57.287 58.200 0.065 0.000 1.044 378 S CB -0.046 63.188 63.200 0.057 0.000 1.252 378 S HN 0.651 nan 8.310 nan 0.000 0.393 379 I N 0.420 121.028 120.570 0.064 0.000 3.145 379 I HA 0.949 5.119 4.170 -0.000 0.000 0.313 379 I C -0.450 175.672 176.117 0.008 0.000 1.122 379 I CA -0.793 60.531 61.300 0.041 0.000 0.987 379 I CB 2.285 40.296 38.000 0.018 0.000 1.236 379 I HN 0.347 nan 8.210 nan 0.000 0.453 380 S N 1.943 117.633 115.700 -0.016 0.000 2.632 380 S HA 0.723 5.193 4.470 -0.000 0.000 0.289 380 S C -0.681 173.901 174.600 -0.031 0.000 1.115 380 S CA -0.641 57.554 58.200 -0.007 0.000 0.889 380 S CB 1.997 65.212 63.200 0.024 0.000 1.116 380 S HN 0.513 nan 8.310 nan 0.000 0.486 381 I N 1.748 122.310 120.570 -0.013 0.000 2.530 381 I HA 0.471 4.641 4.170 -0.000 0.000 0.297 381 I C -1.366 174.757 176.117 0.010 0.000 1.011 381 I CA -0.861 60.431 61.300 -0.014 0.000 1.107 381 I CB 1.758 39.750 38.000 -0.013 0.000 1.285 381 I HN 0.325 nan 8.210 nan 0.000 0.436 382 L N 7.228 128.463 121.223 0.020 0.000 2.316 382 L HA 0.557 4.897 4.340 -0.000 0.000 0.280 382 L C -0.883 175.998 176.870 0.019 0.000 1.006 382 L CA -0.181 54.680 54.840 0.036 0.000 0.836 382 L CB 0.923 43.027 42.059 0.075 0.000 1.221 382 L HN 0.324 nan 8.230 nan 0.000 0.418 383 I N 5.158 125.732 120.570 0.006 0.000 2.440 383 I HA 0.465 4.635 4.170 -0.000 0.000 0.294 383 I C 0.343 176.452 176.117 -0.013 0.000 0.995 383 I CA 0.100 61.394 61.300 -0.010 0.000 1.306 383 I CB 1.108 39.099 38.000 -0.015 0.000 1.407 383 I HN 0.498 nan 8.210 nan 0.000 0.501 384 R N 3.958 124.440 120.500 -0.029 0.000 2.684 384 R HA 0.224 4.564 4.340 -0.000 0.000 0.252 384 R C 0.986 177.259 176.300 -0.045 0.000 1.628 384 R CA -0.225 55.858 56.100 -0.029 0.000 1.622 384 R CB 0.948 31.235 30.300 -0.021 0.000 1.418 384 R HN 0.923 nan 8.270 nan 0.000 0.697 385 G N 0.150 108.925 108.800 -0.042 0.000 2.462 385 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.220 385 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.220 385 G C 1.038 175.913 174.900 -0.041 0.000 1.121 385 G CA 1.322 46.393 45.100 -0.047 0.000 0.758 385 G HN 0.700 nan 8.290 nan 0.000 0.559 386 G N -0.782 107.999 108.800 -0.032 0.000 3.597 386 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.202 386 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.202 386 G C 0.173 175.061 174.900 -0.021 0.000 1.702 386 G CA 0.085 45.169 45.100 -0.026 0.000 1.354 386 G HN 0.799 nan 8.290 nan 0.000 0.609 387 L N 2.983 124.194 121.223 -0.021 0.000 2.418 387 L HA 0.580 4.920 4.340 -0.000 0.000 0.265 387 L C 2.041 178.901 176.870 -0.016 0.000 1.143 387 L CA 0.855 55.684 54.840 -0.017 0.000 0.809 387 L CB 1.039 43.088 42.059 -0.016 0.000 1.124 387 L HN 0.734 nan 8.230 nan 0.000 0.456 388 E N 2.745 122.937 120.200 -0.013 0.000 2.273 388 E HA -0.263 4.087 4.350 -0.000 0.000 0.198 388 E C 1.456 178.049 176.600 -0.012 0.000 1.002 388 E CA 1.557 57.949 56.400 -0.012 0.000 0.828 388 E CB -0.148 29.546 29.700 -0.011 0.000 0.747 388 E HN 0.703 nan 8.360 nan 0.000 0.491 389 R N 0.548 121.040 120.500 -0.013 0.000 2.191 389 R HA 0.152 4.492 4.340 -0.000 0.000 0.196 389 R C 2.422 178.713 176.300 -0.015 0.000 0.991 389 R CA 0.138 56.231 56.100 -0.013 0.000 1.075 389 R CB -0.052 30.241 30.300 -0.011 0.000 1.040 389 R HN 0.306 nan 8.270 nan 0.000 0.526 390 L N 1.303 122.515 121.223 -0.017 0.000 2.079 390 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 390 L C 2.222 179.078 176.870 -0.023 0.000 1.081 390 L CA 1.363 56.190 54.840 -0.021 0.000 0.752 390 L CB -0.266 41.779 42.059 -0.024 0.000 0.896 390 L HN 0.155 nan 8.230 nan 0.000 0.433 391 V N 0.072 119.972 119.914 -0.022 0.000 2.343 391 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 391 V C 2.094 178.177 176.094 -0.019 0.000 1.051 391 V CA 2.388 64.674 62.300 -0.023 0.000 1.036 391 V CB -0.445 31.366 31.823 -0.020 0.000 0.654 391 V HN 0.550 nan 8.190 nan 0.000 0.451 392 D N -0.127 120.264 120.400 -0.016 0.000 2.104 392 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 392 D C 2.064 178.356 176.300 -0.014 0.000 0.994 392 D CA 2.000 55.992 54.000 -0.014 0.000 0.830 392 D CB -0.117 40.677 40.800 -0.011 0.000 0.959 392 D HN 0.604 nan 8.370 nan 0.000 0.452 393 E N -0.374 119.817 120.200 -0.015 0.000 2.418 393 E HA -0.039 4.311 4.350 -0.000 0.000 0.197 393 E C 1.840 178.430 176.600 -0.018 0.000 1.026 393 E CA 0.509 56.900 56.400 -0.015 0.000 0.862 393 E CB 0.145 29.836 29.700 -0.015 0.000 0.799 393 E HN 0.119 nan 8.360 nan 0.000 0.518 394 T N 0.277 114.819 114.554 -0.021 0.000 2.904 394 T HA -0.144 4.205 4.350 -0.000 0.000 0.267 394 T C 1.721 176.409 174.700 -0.021 0.000 1.059 394 T CA 1.146 63.231 62.100 -0.025 0.000 1.137 394 T CB -0.037 68.812 68.868 -0.032 0.000 0.879 394 T HN 0.287 nan 8.240 nan 0.000 0.467 395 E N 0.774 120.963 120.200 -0.017 0.000 2.107 395 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 395 E C 2.320 178.912 176.600 -0.013 0.000 0.982 395 E CA 0.736 57.128 56.400 -0.014 0.000 0.809 395 E CB 0.068 29.761 29.700 -0.012 0.000 0.756 395 E HN 0.220 nan 8.360 nan 0.000 0.459 396 R N 0.381 120.873 120.500 -0.013 0.000 2.061 396 R HA -0.045 4.295 4.340 -0.000 0.000 0.230 396 R C 2.328 178.619 176.300 -0.015 0.000 1.140 396 R CA 1.696 57.789 56.100 -0.012 0.000 0.940 396 R CB -0.602 29.692 30.300 -0.011 0.000 0.839 396 R HN 0.251 nan 8.270 nan 0.000 0.429 397 A N 0.476 123.286 122.820 -0.017 0.000 1.917 397 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 397 A C 2.029 179.601 177.584 -0.020 0.000 1.182 397 A CA 1.613 53.638 52.037 -0.020 0.000 0.633 397 A CB -0.751 18.236 19.000 -0.022 0.000 0.819 397 A HN 0.325 nan 8.150 nan 0.000 0.448 398 L N -0.580 120.632 121.223 -0.018 0.000 2.093 398 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 398 L C 2.530 179.390 176.870 -0.017 0.000 1.085 398 L CA 1.563 56.393 54.840 -0.017 0.000 0.755 398 L CB -0.565 41.486 42.059 -0.014 0.000 0.904 398 L HN 0.273 nan 8.230 nan 0.000 0.435 399 R N -0.135 120.356 120.500 -0.015 0.000 2.070 399 R HA -0.143 4.197 4.340 -0.000 0.000 0.233 399 R C 1.913 178.203 176.300 -0.017 0.000 1.137 399 R CA 1.713 57.804 56.100 -0.015 0.000 0.945 399 R CB -0.986 29.307 30.300 -0.011 0.000 0.845 399 R HN 0.423 nan 8.270 nan 0.000 0.430 400 D N 0.556 120.945 120.400 -0.018 0.000 2.117 400 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 400 D C 1.831 178.115 176.300 -0.027 0.000 0.987 400 D CA 1.470 55.458 54.000 -0.020 0.000 0.829 400 D CB -0.316 40.472 40.800 -0.020 0.000 0.961 400 D HN 0.188 nan 8.370 nan 0.000 0.460 401 A N 0.867 123.670 122.820 -0.028 0.000 1.908 401 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 401 A C 2.412 179.975 177.584 -0.035 0.000 1.181 401 A CA 1.167 53.184 52.037 -0.034 0.000 0.627 401 A CB -0.820 18.161 19.000 -0.031 0.000 0.818 401 A HN 0.209 nan 8.150 nan 0.000 0.445 402 L N -0.965 120.241 121.223 -0.029 0.000 1.988 402 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 402 L C 2.944 179.794 176.870 -0.033 0.000 1.071 402 L CA 1.157 55.979 54.840 -0.030 0.000 0.744 402 L CB -1.332 40.713 42.059 -0.024 0.000 0.893 402 L HN 0.473 nan 8.230 nan 0.000 0.433 403 G N -0.452 108.331 108.800 -0.028 0.000 2.599 403 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.219 403 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.219 403 G C 1.663 176.544 174.900 -0.031 0.000 1.193 403 G CA 1.889 46.973 45.100 -0.027 0.000 0.778 403 G HN 0.383 nan 8.290 nan 0.000 0.589 404 T N 0.092 114.626 114.554 -0.034 0.000 2.665 404 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 404 T C 2.458 177.126 174.700 -0.052 0.000 1.035 404 T CA 2.359 64.434 62.100 -0.041 0.000 1.151 404 T CB -0.416 68.425 68.868 -0.046 0.000 0.862 404 T HN 0.052 nan 8.240 nan 0.000 0.438 405 V N 2.022 121.901 119.914 -0.057 0.000 2.332 405 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 405 V C 3.130 179.181 176.094 -0.072 0.000 1.055 405 V CA 1.911 64.169 62.300 -0.069 0.000 1.038 405 V CB -1.501 30.283 31.823 -0.064 0.000 0.651 405 V HN 0.680 nan 8.190 nan 0.000 0.450 406 A N -0.177 122.609 122.820 -0.057 0.000 1.969 406 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 406 A C 1.951 179.504 177.584 -0.051 0.000 1.169 406 A CA 1.892 53.896 52.037 -0.054 0.000 0.635 406 A CB -0.542 18.432 19.000 -0.045 0.000 0.810 406 A HN 0.532 nan 8.150 nan 0.000 0.445 407 D N -0.268 120.107 120.400 -0.042 0.000 2.178 407 D HA -0.073 4.567 4.640 -0.000 0.000 0.202 407 D C 2.025 178.298 176.300 -0.045 0.000 0.974 407 D CA 1.211 55.194 54.000 -0.029 0.000 0.841 407 D CB -0.315 40.474 40.800 -0.020 0.000 0.953 407 D HN 0.237 nan 8.370 nan 0.000 0.478 408 V N 1.185 121.059 119.914 -0.068 0.000 2.343 408 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 408 V C 2.442 178.464 176.094 -0.120 0.000 1.051 408 V CA 1.169 63.419 62.300 -0.084 0.000 1.036 408 V CB -0.393 31.370 31.823 -0.101 0.000 0.654 408 V HN 0.218 nan 8.190 nan 0.000 0.451 409 I N -0.344 120.129 120.570 -0.161 0.000 2.233 409 I HA -0.192 3.978 4.170 -0.000 0.000 0.243 409 I C 2.505 178.489 176.117 -0.221 0.000 1.093 409 I CA 1.436 62.564 61.300 -0.286 0.000 1.380 409 I CB -0.525 37.273 38.000 -0.337 0.000 1.067 409 I HN 0.238 nan 8.210 nan 0.000 0.413 410 K N 0.390 120.749 120.400 -0.068 0.000 2.211 410 K HA -0.230 4.089 4.320 -0.000 0.000 0.204 410 K C 1.434 178.060 176.600 0.042 0.000 1.047 410 K CA 1.865 58.180 56.287 0.047 0.000 0.935 410 K CB -0.128 32.415 32.500 0.072 0.000 0.728 410 K HN 0.358 nan 8.250 nan 0.000 0.452 411 D N -1.912 118.485 120.400 -0.005 0.000 2.628 411 D HA 0.040 4.680 4.640 -0.000 0.000 0.258 411 D C 1.013 177.308 176.300 -0.009 0.000 1.165 411 D CA 1.513 55.519 54.000 0.010 0.000 0.991 411 D CB 0.517 41.322 40.800 0.009 0.000 1.104 411 D HN 0.148 nan 8.370 nan 0.000 0.438 412 G N -0.288 108.489 108.800 -0.037 0.000 2.205 412 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.180 412 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.180 412 G C -0.053 174.847 174.900 -0.001 0.000 1.004 412 G CA -0.198 44.878 45.100 -0.040 0.000 0.670 412 G HN 0.341 nan 8.290 nan 0.000 0.496 413 R N 0.151 120.659 120.500 0.013 0.000 2.562 413 R HA 0.803 5.143 4.340 -0.000 0.000 0.298 413 R C -0.409 175.917 176.300 0.042 0.000 0.961 413 R CA 0.076 56.203 56.100 0.045 0.000 0.881 413 R CB 2.182 32.514 30.300 0.054 0.000 1.159 413 R HN 0.730 nan 8.270 nan 0.000 0.450 414 A N 3.696 126.564 122.820 0.079 0.000 2.488 414 A HA 0.522 4.842 4.320 -0.000 0.000 0.295 414 A C -0.870 176.784 177.584 0.116 0.000 1.045 414 A CA -0.770 51.299 52.037 0.053 0.000 0.703 414 A CB 1.281 20.274 19.000 -0.012 0.000 1.271 414 A HN 0.653 nan 8.150 nan 0.000 0.400 415 I N -0.334 120.259 120.570 0.037 0.000 3.023 415 I HA 0.903 5.073 4.170 -0.000 0.000 0.312 415 I C 0.230 176.199 176.117 -0.246 0.000 1.056 415 I CA -1.058 60.208 61.300 -0.057 0.000 1.033 415 I CB 1.397 39.497 38.000 0.167 0.000 1.233 415 I HN 0.861 nan 8.210 nan 0.000 0.462 416 A N 2.369 124.862 122.820 -0.545 0.000 2.409 416 A HA 0.657 4.977 4.320 -0.000 0.000 0.267 416 A C 0.455 178.020 177.584 -0.033 0.000 1.127 416 A CA 0.112 51.971 52.037 -0.297 0.000 0.795 416 A CB -0.466 18.391 19.000 -0.238 0.000 1.061 416 A HN 1.167 nan 8.150 nan 0.000 0.502 417 G N -0.041 108.722 108.800 -0.061 0.000 2.477 417 G HA2 0.569 4.529 3.960 -0.000 0.000 0.304 417 G HA3 0.569 4.529 3.960 -0.000 0.000 0.304 417 G C 0.685 175.609 174.900 0.040 0.000 1.175 417 G CA -0.084 45.018 45.100 0.003 0.000 0.907 417 G HN 1.981 nan 8.290 nan 0.000 0.509 418 G N -1.988 106.854 108.800 0.071 0.000 2.507 418 G HA2 0.392 4.352 3.960 -0.000 0.000 0.205 418 G HA3 0.392 4.352 3.960 -0.000 0.000 0.205 418 G C 1.009 175.988 174.900 0.131 0.000 0.996 418 G CA 0.871 46.025 45.100 0.091 0.000 0.776 418 G HN 2.408 nan 8.290 nan 0.000 0.532 419 G N -0.463 108.419 108.800 0.136 0.000 2.194 419 G HA2 0.107 4.067 3.960 -0.000 0.000 0.236 419 G HA3 0.107 4.067 3.960 -0.000 0.000 0.236 419 G C 1.702 176.688 174.900 0.143 0.000 0.987 419 G CA 1.339 46.523 45.100 0.140 0.000 0.635 419 G HN 1.898 nan 8.290 nan 0.000 0.520 420 A N 0.250 123.195 122.820 0.208 0.000 1.859 420 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 420 A C 2.593 180.300 177.584 0.204 0.000 1.198 420 A CA 3.251 55.463 52.037 0.293 0.000 0.629 420 A CB -0.838 18.432 19.000 0.451 0.000 0.830 420 A HN 1.169 nan 8.150 nan 0.000 0.446 421 V N -0.133 119.914 119.914 0.222 0.000 2.594 421 V HA -0.216 3.904 4.120 -0.000 0.000 0.253 421 V C 2.330 178.475 176.094 0.085 0.000 1.069 421 V CA 2.222 64.623 62.300 0.169 0.000 1.082 421 V CB -1.059 30.869 31.823 0.175 0.000 0.680 421 V HN 0.543 nan 8.190 nan 0.000 0.469 422 E N 1.113 121.359 120.200 0.076 0.000 2.001 422 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 422 E C 2.032 178.648 176.600 0.027 0.000 1.002 422 E CA 1.713 58.150 56.400 0.061 0.000 0.819 422 E CB -0.647 29.104 29.700 0.084 0.000 0.769 422 E HN 0.704 nan 8.360 nan 0.000 0.454 423 I N 0.408 120.961 120.570 -0.029 0.000 2.300 423 I HA -0.272 3.898 4.170 -0.000 0.000 0.252 423 I C 1.649 177.692 176.117 -0.123 0.000 1.119 423 I CA 1.634 62.867 61.300 -0.111 0.000 1.384 423 I CB -0.661 37.177 38.000 -0.270 0.000 1.062 423 I HN -0.030 nan 8.210 nan 0.000 0.426 424 E N 1.406 121.539 120.200 -0.111 0.000 2.015 424 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 424 E C 2.425 179.022 176.600 -0.005 0.000 0.991 424 E CA 1.331 57.698 56.400 -0.055 0.000 0.802 424 E CB -0.395 29.299 29.700 -0.011 0.000 0.759 424 E HN 0.503 nan 8.360 nan 0.000 0.447 425 I N 1.415 121.998 120.570 0.021 0.000 2.399 425 I HA -0.247 3.923 4.170 -0.000 0.000 0.254 425 I C 2.233 178.386 176.117 0.061 0.000 1.146 425 I CA 0.956 62.281 61.300 0.042 0.000 1.412 425 I CB -1.479 36.557 38.000 0.059 0.000 1.076 425 I HN -0.055 nan 8.210 nan 0.000 0.432 426 A N 1.185 124.038 122.820 0.054 0.000 1.838 426 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 426 A C 2.443 180.057 177.584 0.050 0.000 1.273 426 A CA 1.450 53.528 52.037 0.068 0.000 0.602 426 A CB -0.750 18.281 19.000 0.051 0.000 0.934 426 A HN 0.276 nan 8.150 nan 0.000 0.461 427 K N -0.470 119.944 120.400 0.022 0.000 2.049 427 K HA -0.303 4.017 4.320 -0.000 0.000 0.219 427 K C 2.179 178.801 176.600 0.035 0.000 1.056 427 K CA 2.259 58.559 56.287 0.022 0.000 0.946 427 K CB -0.212 32.291 32.500 0.005 0.000 0.723 427 K HN 0.265 nan 8.250 nan 0.000 0.453 428 K N 0.734 121.151 120.400 0.029 0.000 2.160 428 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 428 K C 2.127 178.772 176.600 0.075 0.000 1.047 428 K CA 1.179 57.485 56.287 0.033 0.000 0.930 428 K CB -0.267 32.239 32.500 0.010 0.000 0.720 428 K HN 0.214 nan 8.250 nan 0.000 0.450 429 L N 1.227 122.503 121.223 0.089 0.000 2.072 429 L HA -0.061 4.279 4.340 -0.000 0.000 0.205 429 L C 2.330 179.274 176.870 0.125 0.000 1.079 429 L CA 1.424 56.347 54.840 0.138 0.000 0.752 429 L CB -0.354 41.768 42.059 0.105 0.000 0.906 429 L HN 0.065 nan 8.230 nan 0.000 0.436 430 R N -0.540 120.009 120.500 0.082 0.000 2.081 430 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 430 R C 2.273 178.612 176.300 0.065 0.000 1.131 430 R CA 1.636 57.771 56.100 0.059 0.000 0.960 430 R CB -0.370 29.958 30.300 0.046 0.000 0.856 430 R HN 0.277 nan 8.270 nan 0.000 0.436 431 K N 0.121 120.568 120.400 0.078 0.000 2.209 431 K HA -0.186 4.134 4.320 -0.000 0.000 0.204 431 K C 1.828 178.510 176.600 0.138 0.000 1.048 431 K CA 1.174 57.509 56.287 0.080 0.000 0.940 431 K CB -0.030 32.505 32.500 0.059 0.000 0.729 431 K HN 0.309 nan 8.250 nan 0.000 0.451 432 Y N 0.258 120.558 120.300 0.001 0.000 2.130 432 Y HA -0.203 4.347 4.550 -0.000 0.000 0.287 432 Y C 2.141 178.044 175.900 0.006 0.000 1.124 432 Y CA 1.013 59.112 58.100 -0.001 0.000 1.118 432 Y CB -0.211 38.243 38.460 -0.010 0.000 0.994 432 Y HN 0.138 nan 8.280 nan 0.000 0.497 433 A N 1.445 124.176 122.820 -0.150 0.000 1.893 433 A HA -0.330 3.990 4.320 -0.000 0.000 0.222 433 A C -0.129 177.371 177.584 -0.141 0.000 1.309 433 A CA 2.859 54.746 52.037 -0.251 0.000 0.681 433 A CB -2.314 16.621 19.000 -0.108 0.000 0.842 433 A HN 0.480 nan 8.150 nan 0.000 0.468 434 P HA -0.292 nan 4.420 nan 0.000 0.222 434 P C 1.557 178.854 177.300 -0.006 0.000 1.155 434 P CA 2.290 65.384 63.100 -0.010 0.000 0.890 434 P CB -0.262 31.449 31.700 0.018 0.000 0.790 435 Q N -0.776 119.038 119.800 0.023 0.000 2.354 435 Q HA -0.027 4.313 4.340 -0.000 0.000 0.203 435 Q C 1.918 177.933 176.000 0.024 0.000 0.933 435 Q CA 1.041 56.874 55.803 0.050 0.000 0.901 435 Q CB -1.070 27.739 28.738 0.118 0.000 1.007 435 Q HN 0.235 nan 8.270 nan 0.000 0.495 436 V N -0.902 118.961 119.914 -0.084 0.000 2.282 436 V HA 0.073 4.192 4.120 -0.000 0.000 0.249 436 V C 1.037 177.099 176.094 -0.054 0.000 1.057 436 V CA 1.625 63.846 62.300 -0.131 0.000 1.032 436 V CB -1.066 30.520 31.823 -0.396 0.000 0.645 436 V HN 0.571 nan 8.190 nan 0.000 0.447 437 G N -2.502 106.266 108.800 -0.053 0.000 2.343 437 G HA2 0.451 4.411 3.960 -0.000 0.000 0.289 437 G HA3 0.451 4.411 3.960 -0.000 0.000 0.289 437 G C 0.118 175.003 174.900 -0.025 0.000 1.295 437 G CA -0.260 44.824 45.100 -0.026 0.000 0.869 437 G HN 0.784 nan 8.290 nan 0.000 0.522 438 G N -0.093 108.698 108.800 -0.014 0.000 2.813 438 G HA2 0.007 3.967 3.960 -0.000 0.000 0.208 438 G HA3 0.007 3.967 3.960 -0.000 0.000 0.208 438 G C 1.464 176.356 174.900 -0.013 0.000 1.395 438 G CA 1.634 46.727 45.100 -0.011 0.000 0.849 438 G HN 0.710 nan 8.290 nan 0.000 0.617 439 K N 0.434 120.828 120.400 -0.010 0.000 2.025 439 K HA -0.028 4.291 4.320 -0.000 0.000 0.207 439 K C 2.487 179.077 176.600 -0.017 0.000 1.049 439 K CA 1.140 57.421 56.287 -0.010 0.000 0.933 439 K CB -0.195 32.303 32.500 -0.005 0.000 0.714 439 K HN 0.409 nan 8.250 nan 0.000 0.438 440 E N 1.068 121.255 120.200 -0.021 0.000 2.233 440 E HA -0.306 4.044 4.350 -0.000 0.000 0.199 440 E C 2.120 178.697 176.600 -0.040 0.000 1.004 440 E CA 1.183 57.566 56.400 -0.028 0.000 0.819 440 E CB -0.087 29.596 29.700 -0.030 0.000 0.738 440 E HN 0.354 nan 8.360 nan 0.000 0.478 441 Q N 0.967 120.737 119.800 -0.050 0.000 2.030 441 Q HA -0.211 4.128 4.340 -0.000 0.000 0.204 441 Q C 2.322 178.307 176.000 -0.025 0.000 0.986 441 Q CA 1.396 57.160 55.803 -0.064 0.000 0.843 441 Q CB -0.133 28.574 28.738 -0.051 0.000 0.904 441 Q HN 0.316 nan 8.270 nan 0.000 0.420 442 L N 0.298 121.518 121.223 -0.006 0.000 2.081 442 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 442 L C 2.618 179.516 176.870 0.047 0.000 1.080 442 L CA 1.080 55.930 54.840 0.017 0.000 0.754 442 L CB -0.763 41.303 42.059 0.012 0.000 0.893 442 L HN 0.350 nan 8.230 nan 0.000 0.433 443 A N -0.077 122.766 122.820 0.039 0.000 1.865 443 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 443 A C 2.329 180.066 177.584 0.254 0.000 1.191 443 A CA 2.049 54.144 52.037 0.095 0.000 0.623 443 A CB -0.878 18.125 19.000 0.004 0.000 0.826 443 A HN 0.195 nan 8.150 nan 0.000 0.444 444 V N 0.238 120.235 119.914 0.139 0.000 2.295 444 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 444 V C 2.358 178.528 176.094 0.126 0.000 1.049 444 V CA 2.239 64.607 62.300 0.113 0.000 1.024 444 V CB -1.119 30.648 31.823 -0.094 0.000 0.648 444 V HN 0.630 nan 8.190 nan 0.000 0.447 445 E N 0.501 120.743 120.200 0.070 0.000 2.130 445 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 445 E C 2.308 178.970 176.600 0.103 0.000 0.998 445 E CA 1.402 57.843 56.400 0.068 0.000 0.806 445 E CB -0.340 29.383 29.700 0.038 0.000 0.738 445 E HN 0.631 nan 8.360 nan 0.000 0.459 446 A N 1.097 123.998 122.820 0.135 0.000 1.845 446 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 446 A C 2.043 179.712 177.584 0.142 0.000 1.195 446 A CA 1.448 53.569 52.037 0.139 0.000 0.616 446 A CB -1.032 18.083 19.000 0.191 0.000 0.832 446 A HN 0.356 nan 8.150 nan 0.000 0.443 447 Y N 0.838 121.184 120.300 0.077 0.000 2.173 447 Y HA -0.304 4.246 4.550 -0.000 0.000 0.282 447 Y C 2.655 178.544 175.900 -0.018 0.000 1.192 447 Y CA 1.431 59.471 58.100 -0.098 0.000 1.176 447 Y CB -0.592 37.832 38.460 -0.060 0.000 0.969 447 Y HN 0.331 nan 8.280 nan 0.000 0.519 448 A N 0.098 123.091 122.820 0.287 0.000 1.855 448 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 448 A C 2.214 179.870 177.584 0.120 0.000 1.191 448 A CA 1.630 53.794 52.037 0.212 0.000 0.613 448 A CB -0.803 18.282 19.000 0.143 0.000 0.829 448 A HN 0.586 nan 8.150 nan 0.000 0.442 449 N N 0.616 119.358 118.700 0.070 0.000 2.069 449 N HA -0.187 4.553 4.740 -0.000 0.000 0.191 449 N C 1.960 177.462 175.510 -0.012 0.000 1.031 449 N CA 1.627 54.694 53.050 0.028 0.000 0.852 449 N CB -0.521 37.976 38.487 0.016 0.000 1.018 449 N HN 0.474 nan 8.380 nan 0.000 0.423 450 A N 1.597 124.370 122.820 -0.077 0.000 1.940 450 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 450 A C 2.355 179.847 177.584 -0.153 0.000 1.176 450 A CA 0.960 52.875 52.037 -0.205 0.000 0.631 450 A CB -0.771 17.972 19.000 -0.428 0.000 0.814 450 A HN 0.281 nan 8.150 nan 0.000 0.446 451 L N -0.704 120.530 121.223 0.019 0.000 2.093 451 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 451 L C 2.493 179.464 176.870 0.169 0.000 1.085 451 L CA 1.609 56.630 54.840 0.301 0.000 0.755 451 L CB -0.288 42.020 42.059 0.415 0.000 0.904 451 L HN 0.506 nan 8.230 nan 0.000 0.435 452 E N -0.989 119.267 120.200 0.093 0.000 2.152 452 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 452 E C 2.182 178.810 176.600 0.046 0.000 0.983 452 E CA 1.078 57.518 56.400 0.067 0.000 0.818 452 E CB 0.019 29.748 29.700 0.048 0.000 0.758 452 E HN 0.395 nan 8.360 nan 0.000 0.467 453 S N 1.314 117.021 115.700 0.013 0.000 2.392 453 S HA -0.193 4.277 4.470 -0.000 0.000 0.232 453 S C 1.884 176.472 174.600 -0.021 0.000 1.041 453 S CA 0.806 58.994 58.200 -0.020 0.000 1.026 453 S CB -0.240 62.918 63.200 -0.069 0.000 0.845 453 S HN 0.142 nan 8.310 nan 0.000 0.465 454 L N 1.999 123.226 121.223 0.006 0.000 1.990 454 L HA -0.126 4.214 4.340 -0.000 0.000 0.213 454 L C 2.445 179.337 176.870 0.036 0.000 1.072 454 L CA 1.934 56.766 54.840 -0.013 0.000 0.755 454 L CB -0.802 41.326 42.059 0.115 0.000 0.889 454 L HN 0.366 nan 8.230 nan 0.000 0.432 455 V N -4.445 115.526 119.914 0.096 0.000 2.667 455 V HA -0.123 3.997 4.120 -0.000 0.000 0.252 455 V C 2.255 178.415 176.094 0.110 0.000 1.065 455 V CA 1.711 64.089 62.300 0.131 0.000 1.083 455 V CB -0.766 31.127 31.823 0.115 0.000 0.692 455 V HN 0.422 nan 8.190 nan 0.000 0.468 456 S N 1.103 116.845 115.700 0.069 0.000 2.355 456 S HA 0.012 4.481 4.470 -0.000 0.000 0.222 456 S C 1.878 176.516 174.600 0.062 0.000 1.031 456 S CA 1.930 60.166 58.200 0.061 0.000 0.993 456 S CB -0.482 62.738 63.200 0.032 0.000 0.859 456 S HN 0.633 nan 8.310 nan 0.000 0.453 457 I N 1.440 122.028 120.570 0.030 0.000 2.194 457 I HA -0.239 3.931 4.170 -0.000 0.000 0.246 457 I C 2.363 178.549 176.117 0.115 0.000 1.093 457 I CA 1.185 62.499 61.300 0.023 0.000 1.355 457 I CB -0.397 37.552 38.000 -0.085 0.000 1.046 457 I HN 0.241 nan 8.210 nan 0.000 0.413 458 L N 0.521 121.863 121.223 0.197 0.000 2.017 458 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 458 L C 2.549 179.518 176.870 0.164 0.000 1.073 458 L CA 1.402 56.399 54.840 0.263 0.000 0.745 458 L CB -0.142 42.096 42.059 0.298 0.000 0.894 458 L HN 0.145 nan 8.230 nan 0.000 0.432 459 I N -0.045 120.616 120.570 0.152 0.000 2.142 459 I HA -0.288 3.882 4.170 -0.000 0.000 0.240 459 I C 2.399 178.592 176.117 0.127 0.000 1.078 459 I CA 1.440 62.844 61.300 0.173 0.000 1.343 459 I CB -1.502 36.598 38.000 0.166 0.000 1.046 459 I HN 0.363 nan 8.210 nan 0.000 0.405 460 E N 1.247 121.497 120.200 0.083 0.000 2.082 460 E HA -0.297 4.052 4.350 -0.000 0.000 0.215 460 E C 1.817 178.411 176.600 -0.009 0.000 1.048 460 E CA 2.119 58.538 56.400 0.033 0.000 0.869 460 E CB -0.490 29.225 29.700 0.024 0.000 0.773 460 E HN 0.619 nan 8.360 nan 0.000 0.466 461 N N 0.149 118.856 118.700 0.012 0.000 2.513 461 N HA -0.131 4.609 4.740 -0.000 0.000 0.187 461 N C 1.559 177.020 175.510 -0.083 0.000 1.056 461 N CA 0.378 53.416 53.050 -0.020 0.000 0.907 461 N CB -0.047 38.455 38.487 0.026 0.000 0.954 461 N HN 0.140 nan 8.380 nan 0.000 0.445 462 A N 0.482 123.253 122.820 -0.082 0.000 2.072 462 A HA 0.289 4.609 4.320 -0.000 0.000 0.216 462 A C 1.693 178.951 177.584 -0.545 0.000 1.156 462 A CA 0.970 52.895 52.037 -0.186 0.000 0.701 462 A CB -0.060 18.993 19.000 0.089 0.000 0.816 462 A HN 0.311 nan 8.150 nan 0.000 0.458 463 G N -2.427 106.102 108.800 -0.452 0.000 2.131 463 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.201 463 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.201 463 G C -0.194 174.323 174.900 -0.638 0.000 1.000 463 G CA 0.043 44.819 45.100 -0.540 0.000 0.680 463 G HN 0.326 nan 8.290 nan 0.000 0.514 464 F N 0.268 120.214 119.950 -0.007 0.000 2.575 464 F HA 0.580 5.107 4.527 -0.000 0.000 0.330 464 F C 0.352 176.157 175.800 0.009 0.000 1.056 464 F CA -1.896 56.106 58.000 0.003 0.000 0.964 464 F CB 1.015 40.021 39.000 0.010 0.000 1.258 464 F HN -0.049 nan 8.300 nan 0.000 0.484 465 D N 4.151 124.684 120.400 0.223 0.000 2.363 465 D HA 0.045 4.685 4.640 -0.000 0.000 0.263 465 D C -1.442 174.928 176.300 0.116 0.000 1.258 465 D CA -1.487 52.586 54.000 0.122 0.000 0.907 465 D CB 1.191 42.046 40.800 0.091 0.000 1.107 465 D HN 0.169 nan 8.370 nan 0.000 0.495 466 P HA -0.206 nan 4.420 nan 0.000 0.215 466 P C 1.801 179.139 177.300 0.064 0.000 1.157 466 P CA 0.778 63.926 63.100 0.080 0.000 0.874 466 P CB 0.415 32.148 31.700 0.055 0.000 0.790 467 I N 0.576 121.175 120.570 0.050 0.000 2.179 467 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 467 I C 2.066 178.209 176.117 0.044 0.000 1.088 467 I CA 1.659 62.983 61.300 0.040 0.000 1.357 467 I CB -1.797 36.220 38.000 0.029 0.000 1.051 467 I HN -0.035 nan 8.210 nan 0.000 0.409 468 D N 1.284 121.713 120.400 0.047 0.000 2.137 468 D HA -0.196 4.444 4.640 -0.000 0.000 0.189 468 D C 2.423 178.747 176.300 0.041 0.000 0.998 468 D CA 1.342 55.368 54.000 0.043 0.000 0.839 468 D CB -0.530 40.299 40.800 0.047 0.000 0.962 468 D HN 0.256 nan 8.370 nan 0.000 0.446 469 L N 0.249 121.500 121.223 0.046 0.000 2.083 469 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 469 L C 2.657 179.561 176.870 0.057 0.000 1.083 469 L CA 0.468 55.331 54.840 0.038 0.000 0.752 469 L CB -0.382 41.695 42.059 0.029 0.000 0.899 469 L HN 0.098 nan 8.230 nan 0.000 0.433 470 L N -0.654 120.606 121.223 0.063 0.000 2.012 470 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 470 L C 2.766 179.672 176.870 0.060 0.000 1.073 470 L CA 1.367 56.246 54.840 0.065 0.000 0.748 470 L CB -0.043 42.049 42.059 0.056 0.000 0.891 470 L HN 0.286 nan 8.230 nan 0.000 0.431 471 M N -0.402 119.228 119.600 0.049 0.000 2.099 471 M HA -0.243 4.237 4.480 -0.000 0.000 0.262 471 M C 2.198 178.528 176.300 0.051 0.000 1.067 471 M CA 1.579 56.906 55.300 0.045 0.000 1.124 471 M CB -1.224 31.397 32.600 0.034 0.000 1.353 471 M HN 0.182 nan 8.290 nan 0.000 0.410 472 K N 0.122 120.551 120.400 0.048 0.000 2.211 472 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 472 K C 1.950 178.594 176.600 0.074 0.000 1.047 472 K CA 0.891 57.207 56.287 0.048 0.000 0.935 472 K CB 0.032 32.553 32.500 0.034 0.000 0.728 472 K HN 0.205 nan 8.250 nan 0.000 0.452 473 L N 1.664 122.947 121.223 0.100 0.000 2.130 473 L HA -0.056 4.283 4.340 -0.000 0.000 0.200 473 L C 2.045 179.048 176.870 0.223 0.000 1.075 473 L CA 1.514 56.456 54.840 0.170 0.000 0.768 473 L CB -0.878 41.286 42.059 0.175 0.000 0.933 473 L HN 0.225 nan 8.230 nan 0.000 0.451 474 R N -0.615 119.969 120.500 0.140 0.000 2.341 474 R HA -0.099 4.241 4.340 -0.000 0.000 0.213 474 R C 2.011 178.380 176.300 0.114 0.000 1.082 474 R CA 1.292 57.456 56.100 0.106 0.000 1.017 474 R CB -0.556 29.770 30.300 0.043 0.000 0.860 474 R HN 0.326 nan 8.270 nan 0.000 0.473 475 S N 0.184 115.943 115.700 0.099 0.000 2.404 475 S HA -0.076 4.394 4.470 -0.000 0.000 0.223 475 S C 1.749 176.375 174.600 0.043 0.000 1.040 475 S CA 0.988 59.223 58.200 0.059 0.000 0.957 475 S CB -0.037 63.187 63.200 0.040 0.000 0.826 475 S HN 0.398 nan 8.310 nan 0.000 0.491 476 T N 0.136 114.720 114.554 0.049 0.000 3.227 476 T HA 0.047 4.397 4.350 -0.000 0.000 0.257 476 T C 0.342 174.940 174.700 -0.169 0.000 1.162 476 T CA 0.563 62.632 62.100 -0.052 0.000 1.051 476 T CB -0.465 68.392 68.868 -0.019 0.000 0.953 476 T HN 0.487 nan 8.240 nan 0.000 0.535 477 H N 0.090 119.125 119.070 -0.059 0.000 2.487 477 H HA 0.310 4.866 4.556 -0.000 0.000 0.290 477 H C 1.644 176.928 175.328 -0.073 0.000 1.081 477 H CA -0.201 55.806 56.048 -0.068 0.000 1.116 477 H CB 0.530 30.285 29.762 -0.013 0.000 1.560 477 H HN 0.230 nan 8.280 nan 0.000 0.548 478 E N 0.300 120.490 120.200 -0.017 0.000 2.051 478 E HA -0.028 4.322 4.350 -0.000 0.000 0.189 478 E C 0.239 176.797 176.600 -0.070 0.000 0.979 478 E CA 0.365 56.749 56.400 -0.026 0.000 0.803 478 E CB -0.094 29.588 29.700 -0.029 0.000 0.761 478 E HN 0.376 nan 8.360 nan 0.000 0.451 479 N N 3.143 121.765 118.700 -0.131 0.000 2.411 479 N HA -0.085 4.655 4.740 -0.000 0.000 0.282 479 N C 0.922 176.332 175.510 -0.166 0.000 1.322 479 N CA 0.236 53.190 53.050 -0.160 0.000 0.943 479 N CB 0.859 39.206 38.487 -0.233 0.000 1.266 479 N HN 0.109 nan 8.380 nan 0.000 0.486 480 E N 2.577 122.706 120.200 -0.118 0.000 2.284 480 E HA -0.212 4.138 4.350 -0.000 0.000 0.200 480 E C 0.034 176.544 176.600 -0.151 0.000 1.008 480 E CA 1.392 57.723 56.400 -0.114 0.000 0.829 480 E CB -0.150 29.496 29.700 -0.091 0.000 0.744 480 E HN 0.589 nan 8.360 nan 0.000 0.491 481 N N -0.451 118.152 118.700 -0.161 0.000 2.322 481 N HA 0.076 4.816 4.740 -0.000 0.000 0.216 481 N C -0.123 175.277 175.510 -0.183 0.000 1.144 481 N CA -0.017 52.940 53.050 -0.156 0.000 0.830 481 N CB 0.283 38.703 38.487 -0.111 0.000 1.034 481 N HN 0.097 nan 8.380 nan 0.000 0.484 482 N N 0.307 118.846 118.700 -0.267 0.000 2.159 482 N HA -0.019 4.721 4.740 -0.000 0.000 0.217 482 N C 1.185 176.613 175.510 -0.137 0.000 1.223 482 N CA -0.145 52.701 53.050 -0.339 0.000 0.896 482 N CB 0.441 38.361 38.487 -0.945 0.000 1.064 482 N HN 0.236 nan 8.380 nan 0.000 0.518 483 K N 0.685 120.981 120.400 -0.173 0.000 2.108 483 K HA -0.265 4.055 4.320 -0.000 0.000 0.219 483 K C 0.653 177.339 176.600 0.142 0.000 1.054 483 K CA 1.792 58.003 56.287 -0.127 0.000 0.945 483 K CB -0.779 31.406 32.500 -0.525 0.000 0.728 483 K HN 0.368 nan 8.250 nan 0.000 0.462 484 W N 0.100 121.529 121.300 0.215 0.000 3.216 484 W HA 0.099 4.759 4.660 -0.000 0.000 0.247 484 W C -0.093 176.592 176.519 0.276 0.000 1.326 484 W CA -1.328 56.168 57.345 0.250 0.000 1.564 484 W CB -0.106 29.485 29.460 0.218 0.000 1.113 484 W HN 0.022 nan 8.180 nan 0.000 0.722 485 Y N 1.197 121.657 120.300 0.268 0.000 2.359 485 Y HA 0.408 4.958 4.550 -0.000 0.000 0.330 485 Y C 0.899 176.975 175.900 0.294 0.000 1.143 485 Y CA 0.258 58.448 58.100 0.149 0.000 1.318 485 Y CB 0.705 39.076 38.460 -0.149 0.000 1.234 485 Y HN -0.104 nan 8.280 nan 0.000 0.522 486 G N 2.463 111.424 108.800 0.268 0.000 3.058 486 G HA2 0.611 4.571 3.960 -0.000 0.000 0.282 486 G HA3 0.611 4.571 3.960 -0.000 0.000 0.282 486 G C -1.575 173.418 174.900 0.154 0.000 1.248 486 G CA -0.905 44.340 45.100 0.242 0.000 0.822 486 G HN 0.442 nan 8.290 nan 0.000 0.579 487 I N 1.313 121.956 120.570 0.122 0.000 2.390 487 I HA 0.191 4.361 4.170 -0.000 0.000 0.283 487 I C -1.012 175.147 176.117 0.070 0.000 1.016 487 I CA -0.525 60.823 61.300 0.079 0.000 1.151 487 I CB 1.680 39.725 38.000 0.075 0.000 1.293 487 I HN 0.417 nan 8.210 nan 0.000 0.458 488 D N 6.980 127.407 120.400 0.044 0.000 2.426 488 D HA -0.007 4.633 4.640 -0.000 0.000 0.261 488 D C 0.681 177.064 176.300 0.140 0.000 1.245 488 D CA -0.059 53.991 54.000 0.083 0.000 0.917 488 D CB 0.840 41.669 40.800 0.048 0.000 1.123 488 D HN 0.280 nan 8.370 nan 0.000 0.508 489 L N 4.645 126.010 121.223 0.236 0.000 2.855 489 L HA -0.022 4.318 4.340 -0.000 0.000 0.257 489 L C -0.039 176.972 176.870 0.234 0.000 1.206 489 L CA 0.694 55.690 54.840 0.260 0.000 1.042 489 L CB -1.760 40.390 42.059 0.152 0.000 1.321 489 L HN 0.642 nan 8.230 nan 0.000 0.417 490 Y N -1.497 118.905 120.300 0.169 0.000 2.460 490 Y HA 0.264 4.814 4.550 -0.000 0.000 0.276 490 Y C 1.946 177.937 175.900 0.152 0.000 1.119 490 Y CA 0.360 58.562 58.100 0.169 0.000 1.181 490 Y CB 0.255 38.762 38.460 0.080 0.000 1.304 490 Y HN 0.098 nan 8.280 nan 0.000 0.536 491 A N -0.339 122.597 122.820 0.194 0.000 2.259 491 A HA 0.511 4.831 4.320 -0.000 0.000 0.213 491 A C 1.460 178.957 177.584 -0.146 0.000 1.209 491 A CA 0.533 52.605 52.037 0.059 0.000 0.910 491 A CB -0.413 18.610 19.000 0.037 0.000 0.946 491 A HN 0.541 nan 8.150 nan 0.000 0.497 492 G N -0.292 108.278 108.800 -0.384 0.000 2.462 492 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.283 492 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.283 492 G C -0.352 174.330 174.900 -0.364 0.000 1.043 492 G CA 0.674 45.282 45.100 -0.819 0.000 1.300 492 G HN 1.057 nan 8.290 nan 0.000 0.518 493 Q N 0.096 119.775 119.800 -0.201 0.000 2.646 493 Q HA 0.362 4.702 4.340 -0.000 0.000 0.260 493 Q C -3.082 172.907 176.000 -0.019 0.000 0.975 493 Q CA -1.493 54.258 55.803 -0.086 0.000 0.936 493 Q CB 1.902 30.605 28.738 -0.058 0.000 1.591 493 Q HN 0.175 nan 8.270 nan 0.000 0.412 494 P HA 0.097 nan 4.420 nan 0.000 0.267 494 P C -1.103 176.245 177.300 0.081 0.000 1.209 494 P CA 0.044 63.216 63.100 0.120 0.000 0.763 494 P CB 0.610 32.432 31.700 0.203 0.000 0.816 495 V N -0.154 119.707 119.914 -0.087 0.000 3.182 495 V HA 0.564 4.684 4.120 -0.000 0.000 0.308 495 V C -0.769 174.842 176.094 -0.806 0.000 1.240 495 V CA -1.085 60.985 62.300 -0.384 0.000 1.063 495 V CB 2.210 33.921 31.823 -0.186 0.000 1.076 495 V HN 0.234 nan 8.190 nan 0.000 0.446 496 D N 1.918 121.748 120.400 -0.949 0.000 2.344 496 D HA 0.241 4.881 4.640 -0.000 0.000 0.253 496 D C 1.097 177.295 176.300 -0.169 0.000 1.255 496 D CA -0.211 53.400 54.000 -0.649 0.000 0.894 496 D CB 1.246 41.841 40.800 -0.342 0.000 1.067 496 D HN 0.526 nan 8.370 nan 0.000 0.492 497 M N 2.973 122.555 119.600 -0.030 0.000 2.065 497 M HA -0.169 4.311 4.480 -0.000 0.000 0.259 497 M C 2.086 178.391 176.300 0.008 0.000 1.069 497 M CA 1.053 56.358 55.300 0.008 0.000 1.110 497 M CB -1.007 31.629 32.600 0.060 0.000 1.328 497 M HN 0.634 nan 8.290 nan 0.000 0.405 498 W N 2.029 123.257 121.300 -0.119 0.000 2.301 498 W HA -0.255 4.405 4.660 -0.000 0.000 0.325 498 W C 1.141 177.586 176.519 -0.122 0.000 1.250 498 W CA 1.668 58.887 57.345 -0.211 0.000 1.261 498 W CB -0.736 28.527 29.460 -0.328 0.000 1.157 498 W HN 0.365 nan 8.180 nan 0.000 0.473 499 Q N 0.287 120.245 119.800 0.264 0.000 2.319 499 Q HA -0.049 4.291 4.340 -0.000 0.000 0.217 499 Q C 0.628 176.633 176.000 0.008 0.000 0.924 499 Q CA 0.622 56.517 55.803 0.152 0.000 0.964 499 Q CB -0.238 28.588 28.738 0.147 0.000 1.025 499 Q HN 0.228 nan 8.270 nan 0.000 0.465 500 K N -1.194 119.169 120.400 -0.063 0.000 2.625 500 K HA 0.136 4.456 4.320 -0.000 0.000 0.190 500 K C -0.005 176.510 176.600 -0.141 0.000 1.174 500 K CA 0.155 56.387 56.287 -0.091 0.000 1.103 500 K CB 1.532 33.982 32.500 -0.083 0.000 0.900 500 K HN 0.253 nan 8.250 nan 0.000 0.540 501 G N 1.639 110.313 108.800 -0.209 0.000 2.385 501 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.294 501 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.294 501 G C -0.318 174.430 174.900 -0.253 0.000 1.070 501 G CA 0.052 44.997 45.100 -0.258 0.000 1.172 501 G HN 0.114 nan 8.290 nan 0.000 0.516 502 V N 1.485 121.212 119.914 -0.313 0.000 2.558 502 V HA 0.492 4.612 4.120 -0.000 0.000 0.261 502 V C -0.143 175.753 176.094 -0.329 0.000 0.958 502 V CA -0.571 61.580 62.300 -0.249 0.000 0.852 502 V CB 0.710 32.443 31.823 -0.149 0.000 1.067 502 V HN 0.436 nan 8.190 nan 0.000 0.468 503 I N 1.959 122.300 120.570 -0.383 0.000 2.846 503 I HA 0.676 4.846 4.170 -0.000 0.000 0.307 503 I C 0.030 175.992 176.117 -0.257 0.000 1.053 503 I CA -0.468 60.581 61.300 -0.420 0.000 1.050 503 I CB 2.211 39.797 38.000 -0.689 0.000 1.239 503 I HN 0.390 nan 8.210 nan 0.000 0.439 504 E N 2.937 123.018 120.200 -0.198 0.000 2.383 504 E HA 0.388 4.738 4.350 -0.000 0.000 0.275 504 E C -2.634 173.912 176.600 -0.090 0.000 0.918 504 E CA -2.104 54.221 56.400 -0.125 0.000 0.764 504 E CB 1.911 31.559 29.700 -0.086 0.000 1.252 504 E HN 0.191 nan 8.360 nan 0.000 0.449 505 P HA -0.063 nan 4.420 nan 0.000 0.256 505 P C 0.102 177.393 177.300 -0.016 0.000 1.189 505 P CA 0.433 63.507 63.100 -0.042 0.000 0.808 505 P CB 0.212 31.889 31.700 -0.039 0.000 0.793 506 A N 3.835 126.658 122.820 0.005 0.000 2.245 506 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 506 A C 1.686 179.286 177.584 0.026 0.000 1.171 506 A CA 1.263 53.321 52.037 0.034 0.000 0.688 506 A CB -0.959 18.082 19.000 0.068 0.000 0.781 506 A HN 0.506 nan 8.150 nan 0.000 0.479 507 L N -1.596 119.635 121.223 0.013 0.000 2.253 507 L HA 0.106 4.446 4.340 -0.000 0.000 0.205 507 L C 2.295 179.169 176.870 0.008 0.000 1.078 507 L CA 1.332 56.180 54.840 0.014 0.000 0.805 507 L CB -0.253 41.815 42.059 0.014 0.000 0.963 507 L HN 0.138 nan 8.230 nan 0.000 0.459 508 V N 0.135 120.048 119.914 -0.001 0.000 2.255 508 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 508 V C 2.355 178.448 176.094 -0.002 0.000 1.051 508 V CA 2.256 64.554 62.300 -0.003 0.000 1.018 508 V CB -0.293 31.522 31.823 -0.013 0.000 0.641 508 V HN 0.575 nan 8.190 nan 0.000 0.445 509 K N -1.120 119.277 120.400 -0.005 0.000 2.569 509 K HA 0.038 4.358 4.320 -0.000 0.000 0.193 509 K C 1.620 178.206 176.600 -0.023 0.000 1.026 509 K CA 0.711 56.991 56.287 -0.011 0.000 1.093 509 K CB -0.030 32.469 32.500 -0.001 0.000 0.849 509 K HN 0.637 nan 8.250 nan 0.000 0.509 510 M N -1.097 118.497 119.600 -0.010 0.000 2.858 510 M HA 0.050 4.530 4.480 -0.000 0.000 0.255 510 M C 0.933 177.229 176.300 -0.006 0.000 1.336 510 M CA 0.819 56.114 55.300 -0.007 0.000 1.220 510 M CB 0.284 32.891 32.600 0.012 0.000 1.252 510 M HN 0.134 nan 8.290 nan 0.000 0.538 511 N N 0.611 119.314 118.700 0.004 0.000 2.309 511 N HA -0.045 4.695 4.740 -0.000 0.000 0.182 511 N C 1.672 177.188 175.510 0.011 0.000 1.018 511 N CA 0.832 53.890 53.050 0.014 0.000 0.876 511 N CB -0.008 38.491 38.487 0.020 0.000 0.972 511 N HN 0.386 nan 8.380 nan 0.000 0.434 512 A N 2.048 124.865 122.820 -0.006 0.000 1.865 512 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 512 A C 2.027 179.588 177.584 -0.038 0.000 1.191 512 A CA 1.083 53.113 52.037 -0.011 0.000 0.623 512 A CB -0.547 18.438 19.000 -0.025 0.000 0.826 512 A HN 0.130 nan 8.150 nan 0.000 0.444 513 I N 0.129 120.634 120.570 -0.107 0.000 2.151 513 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 513 I C 2.243 178.379 176.117 0.033 0.000 1.080 513 I CA 1.947 63.161 61.300 -0.144 0.000 1.339 513 I CB -1.432 36.484 38.000 -0.140 0.000 1.039 513 I HN 0.405 nan 8.210 nan 0.000 0.409 514 K N 1.059 121.484 120.400 0.041 0.000 2.057 514 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 514 K C 2.304 178.956 176.600 0.085 0.000 1.049 514 K CA 1.581 57.912 56.287 0.073 0.000 0.931 514 K CB -0.262 32.270 32.500 0.053 0.000 0.714 514 K HN 0.317 nan 8.250 nan 0.000 0.440 515 A N 1.950 124.810 122.820 0.067 0.000 1.841 515 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 515 A C 2.492 180.135 177.584 0.098 0.000 1.199 515 A CA 2.083 54.164 52.037 0.072 0.000 0.621 515 A CB -1.133 17.902 19.000 0.058 0.000 0.835 515 A HN 0.325 nan 8.150 nan 0.000 0.445 516 A N -1.143 121.753 122.820 0.126 0.000 1.903 516 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 516 A C 2.306 179.989 177.584 0.164 0.000 1.191 516 A CA 2.746 54.895 52.037 0.187 0.000 0.638 516 A CB -1.575 17.671 19.000 0.411 0.000 0.823 516 A HN 0.491 nan 8.150 nan 0.000 0.451 517 T N -0.693 113.982 114.554 0.201 0.000 2.867 517 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 517 T C 1.829 176.625 174.700 0.161 0.000 1.057 517 T CA 1.613 63.827 62.100 0.191 0.000 1.136 517 T CB -0.212 68.829 68.868 0.290 0.000 0.874 517 T HN 0.703 nan 8.240 nan 0.000 0.466 518 E N 2.106 122.385 120.200 0.131 0.000 2.023 518 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 518 E C 2.282 178.937 176.600 0.092 0.000 1.003 518 E CA 1.728 58.191 56.400 0.104 0.000 0.809 518 E CB -0.776 28.974 29.700 0.083 0.000 0.755 518 E HN 0.372 nan 8.360 nan 0.000 0.449 519 A N 1.222 124.091 122.820 0.081 0.000 1.851 519 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 519 A C 2.558 180.182 177.584 0.066 0.000 1.195 519 A CA 2.903 54.979 52.037 0.065 0.000 0.622 519 A CB -1.500 17.535 19.000 0.058 0.000 0.831 519 A HN 0.477 nan 8.150 nan 0.000 0.444 520 A N -0.350 122.512 122.820 0.070 0.000 1.869 520 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 520 A C 2.495 180.147 177.584 0.114 0.000 1.203 520 A CA 3.413 55.494 52.037 0.074 0.000 0.638 520 A CB -1.734 17.294 19.000 0.046 0.000 0.831 520 A HN 0.990 nan 8.150 nan 0.000 0.450 521 T N -2.499 112.146 114.554 0.152 0.000 2.962 521 T HA -0.052 4.298 4.350 -0.000 0.000 0.270 521 T C 1.682 176.423 174.700 0.069 0.000 1.088 521 T CA 1.377 63.553 62.100 0.128 0.000 1.127 521 T CB -0.338 68.620 68.868 0.151 0.000 0.883 521 T HN 0.223 nan 8.240 nan 0.000 0.493 522 L N 1.330 122.593 121.223 0.066 0.000 2.093 522 L HA 0.140 4.480 4.340 -0.000 0.000 0.208 522 L C 2.568 179.458 176.870 0.034 0.000 1.085 522 L CA 1.216 56.084 54.840 0.047 0.000 0.755 522 L CB -0.644 41.444 42.059 0.048 0.000 0.904 522 L HN 0.164 nan 8.230 nan 0.000 0.435 523 V N -0.562 119.373 119.914 0.036 0.000 2.407 523 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 523 V C 2.454 178.554 176.094 0.011 0.000 1.055 523 V CA 1.589 63.906 62.300 0.028 0.000 1.049 523 V CB -0.612 31.228 31.823 0.029 0.000 0.662 523 V HN 0.351 nan 8.190 nan 0.000 0.455 524 L N -0.351 120.873 121.223 0.002 0.000 2.217 524 L HA -0.053 4.287 4.340 -0.000 0.000 0.211 524 L C 2.468 179.311 176.870 -0.046 0.000 1.107 524 L CA 1.489 56.309 54.840 -0.035 0.000 0.783 524 L CB -0.797 41.227 42.059 -0.058 0.000 0.919 524 L HN 0.212 nan 8.230 nan 0.000 0.442 525 R N 0.124 120.613 120.500 -0.018 0.000 2.148 525 R HA -0.034 4.306 4.340 -0.000 0.000 0.227 525 R C 0.550 176.844 176.300 -0.010 0.000 1.103 525 R CA 0.640 56.731 56.100 -0.014 0.000 0.983 525 R CB -0.221 30.085 30.300 0.009 0.000 0.874 525 R HN 0.039 nan 8.270 nan 0.000 0.451 526 I N 1.815 122.383 120.570 -0.003 0.000 2.533 526 I HA -0.055 4.115 4.170 -0.000 0.000 0.284 526 I C 0.972 177.087 176.117 -0.003 0.000 1.109 526 I CA 0.637 61.940 61.300 0.003 0.000 1.412 526 I CB 0.924 38.932 38.000 0.014 0.000 1.396 526 I HN 0.301 nan 8.210 nan 0.000 0.543 527 D N 3.476 123.877 120.400 0.002 0.000 2.380 527 D HA -0.002 4.638 4.640 -0.000 0.000 0.212 527 D C -0.005 176.301 176.300 0.010 0.000 1.021 527 D CA 0.594 54.596 54.000 0.003 0.000 0.884 527 D CB 0.913 41.719 40.800 0.010 0.000 1.001 527 D HN 0.656 nan 8.370 nan 0.000 0.506 528 D N -0.447 119.960 120.400 0.013 0.000 2.685 528 D HA 0.158 4.798 4.640 -0.000 0.000 0.236 528 D C -1.355 174.953 176.300 0.013 0.000 1.233 528 D CA -0.579 53.430 54.000 0.016 0.000 0.760 528 D CB 2.026 42.834 40.800 0.014 0.000 1.410 528 D HN -0.126 nan 8.370 nan 0.000 0.439 529 V N 0.005 119.928 119.914 0.014 0.000 2.448 529 V HA 0.884 5.004 4.120 -0.000 0.000 0.295 529 V C -0.689 175.404 176.094 -0.001 0.000 1.025 529 V CA -0.660 61.640 62.300 0.001 0.000 0.859 529 V CB 1.489 33.305 31.823 -0.011 0.000 0.988 529 V HN 0.357 nan 8.190 nan 0.000 0.431 530 V N 4.602 124.512 119.914 -0.006 0.000 2.482 530 V HA 0.679 4.799 4.120 -0.000 0.000 0.295 530 V C 0.265 176.353 176.094 -0.011 0.000 1.026 530 V CA 0.166 62.463 62.300 -0.005 0.000 0.856 530 V CB 1.665 33.487 31.823 -0.001 0.000 1.001 530 V HN 1.249 nan 8.190 nan 0.000 0.424 531 S N 4.052 119.743 115.700 -0.014 0.000 2.704 531 S HA 0.972 5.442 4.470 -0.000 0.000 0.305 531 S C -0.056 174.537 174.600 -0.011 0.000 1.107 531 S CA -0.156 58.034 58.200 -0.017 0.000 0.993 531 S CB 2.319 65.503 63.200 -0.027 0.000 1.110 531 S HN 1.188 nan 8.310 nan 0.000 0.534 532 A N 0.000 122.814 122.820 -0.011 0.000 2.254 532 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 532 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 532 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 532 A HN 0.000 nan 8.150 nan 0.000 0.486