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 1psc_1_B DATA FIRST_RESID 35 DATA SEQUENCE DRINTVRGPI TISEAGFTLT HEHICGSSAG FLRAWPEFFG SRKALAEKAV DATA SEQUENCE RGLRRARAAG VRTIVDVSTF DIGRDVSLLA EVSRAADVHI VAATGLWFDP DATA SEQUENCE PLSMRLRSVE ELTQFFLREI QYGIEDTGIR AGIIKVATTG KATPFQELVL DATA SEQUENCE KAAARASLAT GVPVTTHTAA SQRDGEQQAA IFESEGLSPS RVCIGHSDDT DATA SEQUENCE DDLSYLTALA ARGYLIGLDH IPHSAIGLED NASASALLGI RSWQTRALLI DATA SEQUENCE KALIDQGYMK QILVSNDWLF GFSSYVTNIM DVMDRVNPDG MAFIPLRVIP DATA SEQUENCE FLREKGVPQE TLAGITVTNP ARFLSPTLRA 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 35 D HA 0.000 nan 4.640 nan 0.000 0.175 35 D C 0.000 176.275 176.300 -0.042 0.000 2.045 35 D CA 0.000 53.979 54.000 -0.034 0.000 0.868 35 D CB 0.000 40.782 40.800 -0.030 0.000 0.688 36 R N -0.439 120.032 120.500 -0.048 0.000 2.740 36 R HA 0.821 5.161 4.340 0.001 0.000 0.282 36 R C -1.186 175.073 176.300 -0.067 0.000 0.969 36 R CA -0.433 55.632 56.100 -0.057 0.000 0.918 36 R CB 2.727 32.995 30.300 -0.054 0.000 1.175 36 R HN 0.406 nan 8.270 nan 0.000 0.464 37 I N 2.121 122.645 120.570 -0.077 0.000 2.406 37 I HA 0.284 4.455 4.170 0.001 0.000 0.290 37 I C -0.551 175.513 176.117 -0.088 0.000 0.999 37 I CA -1.031 60.217 61.300 -0.086 0.000 1.124 37 I CB 1.804 39.751 38.000 -0.088 0.000 1.289 37 I HN 0.408 nan 8.210 nan 0.000 0.441 38 N N 4.410 123.061 118.700 -0.081 0.000 2.497 38 N HA 0.270 5.011 4.740 0.001 0.000 0.271 38 N C -0.099 175.372 175.510 -0.066 0.000 1.142 38 N CA 0.002 53.009 53.050 -0.072 0.000 0.965 38 N CB 1.405 39.851 38.487 -0.067 0.000 1.077 38 N HN 0.694 nan 8.380 nan 0.000 0.462 39 T N -3.230 111.289 114.554 -0.058 0.000 2.910 39 T HA 0.316 4.667 4.350 0.001 0.000 0.287 39 T C 1.306 175.996 174.700 -0.016 0.000 1.050 39 T CA -0.807 61.273 62.100 -0.033 0.000 1.011 39 T CB 0.772 69.624 68.868 -0.027 0.000 1.195 39 T HN 0.125 nan 8.240 nan 0.000 0.540 40 V N -0.808 119.109 119.914 0.005 0.000 3.078 40 V HA 0.173 4.294 4.120 0.001 0.000 0.265 40 V C 1.702 177.801 176.094 0.008 0.000 1.122 40 V CA 0.884 63.187 62.300 0.005 0.000 1.141 40 V CB -1.235 30.595 31.823 0.012 0.000 0.735 40 V HN 0.836 nan 8.190 nan 0.000 0.498 41 R N 0.692 121.204 120.500 0.019 0.000 2.472 41 R HA 0.541 4.882 4.340 0.001 0.000 0.279 41 R C 0.874 177.175 176.300 0.003 0.000 0.953 41 R CA 0.486 56.598 56.100 0.021 0.000 1.088 41 R CB 0.863 31.193 30.300 0.051 0.000 1.197 41 R HN 0.723 nan 8.270 nan 0.000 0.536 42 G N 1.735 110.525 108.800 -0.015 0.000 2.422 42 G HA2 -0.147 3.814 3.960 0.001 0.000 0.607 42 G HA3 -0.147 3.814 3.960 0.001 0.000 0.607 42 G C -3.076 171.794 174.900 -0.050 0.000 1.270 42 G CA -1.244 43.838 45.100 -0.031 0.000 0.992 42 G HN -0.104 nan 8.290 nan 0.000 0.499 43 P HA 0.597 nan 4.420 nan 0.000 0.279 43 P C -0.047 177.200 177.300 -0.088 0.000 1.239 43 P CA -0.254 62.803 63.100 -0.071 0.000 0.789 43 P CB 1.007 32.673 31.700 -0.057 0.000 0.933 44 I N -1.142 119.354 120.570 -0.124 0.000 2.892 44 I HA 0.657 4.827 4.170 0.001 0.000 0.306 44 I C 0.145 176.197 176.117 -0.108 0.000 1.078 44 I CA -1.020 60.188 61.300 -0.152 0.000 1.032 44 I CB 2.293 40.100 38.000 -0.322 0.000 1.229 44 I HN 0.246 nan 8.210 nan 0.000 0.435 45 T N 0.679 115.184 114.554 -0.082 0.000 2.849 45 T HA 0.339 4.690 4.350 0.001 0.000 0.284 45 T C 0.929 175.597 174.700 -0.054 0.000 1.004 45 T CA -0.393 61.674 62.100 -0.055 0.000 1.021 45 T CB 1.379 70.227 68.868 -0.033 0.000 1.013 45 T HN 0.555 nan 8.240 nan 0.000 0.527 46 I N 1.802 122.349 120.570 -0.037 0.000 2.226 46 I HA -0.163 4.007 4.170 0.001 0.000 0.245 46 I C 2.877 178.988 176.117 -0.010 0.000 1.100 46 I CA 1.976 63.261 61.300 -0.026 0.000 1.374 46 I CB -0.722 37.266 38.000 -0.019 0.000 1.057 46 I HN 0.917 nan 8.210 nan 0.000 0.413 47 S N -0.353 115.343 115.700 -0.006 0.000 2.442 47 S HA -0.179 4.291 4.470 0.001 0.000 0.236 47 S C 1.714 176.329 174.600 0.024 0.000 1.007 47 S CA 1.078 59.284 58.200 0.010 0.000 0.965 47 S CB -0.660 62.546 63.200 0.009 0.000 0.773 47 S HN 0.572 nan 8.310 nan 0.000 0.504 48 E N 1.490 121.697 120.200 0.012 0.000 2.358 48 E HA 0.197 4.547 4.350 0.001 0.000 0.195 48 E C 2.228 178.879 176.600 0.085 0.000 1.010 48 E CA 0.492 56.920 56.400 0.046 0.000 0.856 48 E CB -0.296 29.405 29.700 0.001 0.000 0.795 48 E HN 0.682 nan 8.360 nan 0.000 0.504 49 A N 1.662 124.507 122.820 0.041 0.000 1.908 49 A HA -0.007 4.314 4.320 0.001 0.000 0.218 49 A C 1.673 179.355 177.584 0.163 0.000 1.181 49 A CA 1.472 53.565 52.037 0.093 0.000 0.627 49 A CB -1.105 17.922 19.000 0.046 0.000 0.818 49 A HN 0.353 nan 8.150 nan 0.000 0.445 50 G N -1.295 107.581 108.800 0.127 0.000 2.574 50 G HA2 -0.250 3.711 3.960 0.001 0.000 0.282 50 G HA3 -0.250 3.711 3.960 0.001 0.000 0.282 50 G C 0.029 175.051 174.900 0.203 0.000 1.257 50 G CA 0.144 45.333 45.100 0.149 0.000 0.956 50 G HN 1.173 nan 8.290 nan 0.000 0.560 51 F N 3.021 122.999 119.950 0.046 0.000 2.533 51 F HA 0.536 5.064 4.527 0.002 0.000 0.378 51 F C 0.790 176.622 175.800 0.053 0.000 1.070 51 F CA 0.309 58.334 58.000 0.042 0.000 1.172 51 F CB 0.103 39.121 39.000 0.031 0.000 1.085 51 F HN 0.459 nan 8.300 nan 0.000 0.552 52 T N 7.881 122.715 114.554 0.468 0.000 2.824 52 T HA 0.467 4.818 4.350 0.001 0.000 0.282 52 T C -0.332 174.558 174.700 0.316 0.000 0.993 52 T CA -0.627 61.664 62.100 0.319 0.000 0.967 52 T CB 1.264 70.243 68.868 0.184 0.000 0.960 52 T HN 0.395 nan 8.240 nan 0.000 0.441 53 L N 3.563 124.937 121.223 0.253 0.000 2.255 53 L HA 0.299 4.640 4.340 0.001 0.000 0.289 53 L C 1.768 178.729 176.870 0.152 0.000 1.046 53 L CA -0.528 54.438 54.840 0.210 0.000 0.816 53 L CB 1.056 43.218 42.059 0.172 0.000 1.197 53 L HN 0.878 nan 8.230 nan 0.000 0.427 54 T N -1.806 112.833 114.554 0.142 0.000 3.113 54 T HA -0.047 4.304 4.350 0.001 0.000 0.256 54 T C 0.474 175.249 174.700 0.125 0.000 1.131 54 T CA 0.420 62.597 62.100 0.128 0.000 1.074 54 T CB -0.294 68.640 68.868 0.110 0.000 0.944 54 T HN 0.626 nan 8.240 nan 0.000 0.516 55 H N 0.365 119.442 119.070 0.011 0.000 3.198 55 H HA 0.451 5.008 4.556 0.001 0.000 0.317 55 H C -1.140 174.152 175.328 -0.059 0.000 1.178 55 H CA -0.573 55.447 56.048 -0.046 0.000 1.609 55 H CB 0.630 30.372 29.762 -0.034 0.000 1.819 55 H HN 0.057 nan 8.280 nan 0.000 0.533 56 E N 2.621 122.753 120.200 -0.112 0.000 2.460 56 E HA 0.360 4.710 4.350 0.001 0.000 0.277 56 E C -0.973 175.351 176.600 -0.460 0.000 1.010 56 E CA -0.920 55.426 56.400 -0.091 0.000 0.838 56 E CB 2.209 31.922 29.700 0.023 0.000 1.448 56 E HN 0.593 nan 8.360 nan 0.000 0.462 57 H N 0.098 119.123 119.070 -0.075 0.000 3.012 57 H HA 0.330 4.886 4.556 0.001 0.000 0.367 57 H C 0.778 176.035 175.328 -0.118 0.000 1.211 57 H CA -0.571 55.396 56.048 -0.136 0.000 1.139 57 H CB 1.809 31.434 29.762 -0.230 0.000 1.838 57 H HN 0.262 nan 8.280 nan 0.000 0.550 58 I N 0.236 120.862 120.570 0.094 0.000 2.494 58 I HA -0.035 4.136 4.170 0.001 0.000 0.250 58 I C 1.138 177.311 176.117 0.093 0.000 1.112 58 I CA 1.002 62.417 61.300 0.191 0.000 1.438 58 I CB 0.086 38.187 38.000 0.169 0.000 1.111 58 I HN 0.344 nan 8.210 nan 0.000 0.431 59 C N 0.479 119.771 119.300 -0.014 0.000 2.783 59 C HA 0.759 5.220 4.460 0.001 0.000 0.312 59 C C 0.220 175.097 174.990 -0.189 0.000 1.182 59 C CA -0.530 58.426 59.018 -0.104 0.000 1.432 59 C CB 0.849 28.490 27.740 -0.166 0.000 1.933 59 C HN 0.507 nan 8.230 nan 0.000 0.473 60 G N 3.424 112.079 108.800 -0.240 0.000 2.468 60 G HA2 0.565 4.526 3.960 0.001 0.000 0.320 60 G HA3 0.565 4.526 3.960 0.001 0.000 0.320 60 G C -0.263 174.605 174.900 -0.053 0.000 1.137 60 G CA 0.218 45.096 45.100 -0.369 0.000 0.984 60 G HN 1.007 nan 8.290 nan 0.000 0.462 61 S N 1.252 116.888 115.700 -0.107 0.000 3.952 61 S HA 0.844 5.315 4.470 0.001 0.000 0.293 61 S C -0.206 174.333 174.600 -0.102 0.000 1.090 61 S CA -0.345 57.830 58.200 -0.041 0.000 1.264 61 S CB 1.182 64.458 63.200 0.128 0.000 1.393 61 S HN 0.560 nan 8.310 nan 0.000 0.757 62 S N 0.458 116.120 115.700 -0.063 0.000 2.569 62 S HA 0.767 5.237 4.470 0.001 0.000 0.280 62 S C -0.765 173.831 174.600 -0.007 0.000 1.111 62 S CA -0.215 57.965 58.200 -0.033 0.000 0.887 62 S CB 1.480 64.659 63.200 -0.035 0.000 1.095 62 S HN 1.063 nan 8.310 nan 0.000 0.476 63 A N 0.761 123.485 122.820 -0.160 0.000 2.584 63 A HA 0.444 4.765 4.320 0.001 0.000 0.239 63 A C 1.585 179.140 177.584 -0.048 0.000 1.043 63 A CA 0.841 52.691 52.037 -0.311 0.000 0.756 63 A CB -1.268 17.307 19.000 -0.708 0.000 0.963 63 A HN 2.074 nan 8.150 nan 0.000 0.511 64 G N 1.540 110.344 108.800 0.007 0.000 2.257 64 G HA2 -0.394 3.567 3.960 0.001 0.000 0.267 64 G HA3 -0.394 3.567 3.960 0.001 0.000 0.267 64 G C 0.881 175.875 174.900 0.157 0.000 0.984 64 G CA 1.155 46.309 45.100 0.089 0.000 0.626 64 G HN 1.309 nan 8.290 nan 0.000 0.540 65 F N 0.731 120.720 119.950 0.065 0.000 2.102 65 F HA 0.140 4.668 4.527 0.002 0.000 0.298 65 F C 2.460 178.393 175.800 0.223 0.000 1.105 65 F CA 2.248 60.330 58.000 0.136 0.000 1.239 65 F CB -0.305 38.754 39.000 0.098 0.000 0.991 65 F HN 0.217 nan 8.300 nan 0.000 0.474 66 L N 0.885 122.333 121.223 0.375 0.000 2.079 66 L HA -0.175 4.166 4.340 0.001 0.000 0.210 66 L C 2.374 179.329 176.870 0.142 0.000 1.081 66 L CA 1.790 56.804 54.840 0.290 0.000 0.752 66 L CB -0.749 41.401 42.059 0.151 0.000 0.896 66 L HN 0.077 nan 8.230 nan 0.000 0.433 67 R N -1.135 119.425 120.500 0.100 0.000 2.115 67 R HA 0.038 4.379 4.340 0.001 0.000 0.226 67 R C 2.071 178.398 176.300 0.045 0.000 1.100 67 R CA 0.973 57.115 56.100 0.070 0.000 0.980 67 R CB -0.316 30.022 30.300 0.063 0.000 0.875 67 R HN 0.493 nan 8.270 nan 0.000 0.445 68 A N -0.621 122.205 122.820 0.011 0.000 2.030 68 A HA -0.064 4.257 4.320 0.001 0.000 0.215 68 A C 0.530 178.105 177.584 -0.016 0.000 1.164 68 A CA 0.387 52.408 52.037 -0.027 0.000 0.697 68 A CB 0.124 19.091 19.000 -0.056 0.000 0.827 68 A HN 0.440 nan 8.150 nan 0.000 0.457 69 W N 0.814 121.909 121.300 -0.341 0.000 1.375 69 W HA 0.372 5.033 4.660 0.001 0.000 0.310 69 W C -2.618 173.809 176.519 -0.152 0.000 0.887 69 W CA -2.289 54.852 57.345 -0.340 0.000 1.672 69 W CB 0.925 29.963 29.460 -0.702 0.000 1.824 69 W HN 0.119 nan 8.180 nan 0.000 0.448 70 P HA -0.199 nan 4.420 nan 0.000 0.219 70 P C 0.910 178.382 177.300 0.286 0.000 1.146 70 P CA 1.822 65.107 63.100 0.307 0.000 0.808 70 P CB 0.464 32.286 31.700 0.204 0.000 0.779 71 E N -0.966 119.373 120.200 0.231 0.000 2.333 71 E HA -0.132 4.218 4.350 0.001 0.000 0.198 71 E C 1.611 178.174 176.600 -0.061 0.000 1.007 71 E CA 0.522 57.006 56.400 0.140 0.000 0.845 71 E CB -1.246 28.574 29.700 0.201 0.000 0.766 71 E HN 0.272 nan 8.360 nan 0.000 0.507 72 F N -0.193 119.455 119.950 -0.503 0.000 2.202 72 F HA -0.134 4.393 4.527 0.001 0.000 0.301 72 F C 0.872 176.313 175.800 -0.597 0.000 1.082 72 F CA 1.069 58.555 58.000 -0.858 0.000 1.313 72 F CB 0.097 38.322 39.000 -1.292 0.000 1.024 72 F HN -0.040 nan 8.300 nan 0.000 0.495 73 F N 0.065 120.020 119.950 0.008 0.000 2.639 73 F HA 0.387 4.914 4.527 0.001 0.000 0.300 73 F C 1.598 177.374 175.800 -0.039 0.000 1.109 73 F CA 0.398 58.399 58.000 0.001 0.000 1.335 73 F CB 0.170 39.251 39.000 0.134 0.000 1.014 73 F HN 0.156 nan 8.300 nan 0.000 0.537 74 G N 0.559 109.383 108.800 0.039 0.000 4.365 74 G HA2 -0.243 3.718 3.960 0.001 0.000 0.214 74 G HA3 -0.243 3.718 3.960 0.001 0.000 0.214 74 G C 0.281 175.232 174.900 0.086 0.000 1.450 74 G CA 0.153 45.276 45.100 0.038 0.000 0.937 74 G HN 0.936 nan 8.290 nan 0.000 0.625 75 S N -1.532 114.248 115.700 0.132 0.000 2.645 75 S HA 0.630 5.101 4.470 0.001 0.000 0.268 75 S C 0.313 174.990 174.600 0.127 0.000 1.110 75 S CA 0.653 58.927 58.200 0.124 0.000 0.823 75 S CB 1.321 64.567 63.200 0.078 0.000 1.091 75 S HN 0.917 nan 8.310 nan 0.000 0.466 76 R N 0.846 121.407 120.500 0.101 0.000 2.081 76 R HA -0.011 4.330 4.340 0.001 0.000 0.235 76 R C 1.980 178.297 176.300 0.029 0.000 1.131 76 R CA 1.435 57.571 56.100 0.059 0.000 0.960 76 R CB -0.341 29.989 30.300 0.050 0.000 0.856 76 R HN 0.671 nan 8.270 nan 0.000 0.436 77 K N 0.013 120.432 120.400 0.033 0.000 2.057 77 K HA -0.103 4.218 4.320 0.001 0.000 0.207 77 K C 1.885 178.493 176.600 0.013 0.000 1.049 77 K CA 1.349 57.646 56.287 0.016 0.000 0.931 77 K CB -0.103 32.408 32.500 0.019 0.000 0.714 77 K HN 0.245 nan 8.250 nan 0.000 0.440 78 A N 1.303 124.142 122.820 0.032 0.000 1.902 78 A HA -0.162 4.159 4.320 0.001 0.000 0.217 78 A C 2.083 179.683 177.584 0.027 0.000 1.181 78 A CA 1.200 53.256 52.037 0.031 0.000 0.623 78 A CB -0.491 18.540 19.000 0.051 0.000 0.818 78 A HN 0.332 nan 8.150 nan 0.000 0.443 79 L N -0.253 120.992 121.223 0.037 0.000 2.017 79 L HA -0.031 4.310 4.340 0.001 0.000 0.208 79 L C 2.623 179.472 176.870 -0.036 0.000 1.073 79 L CA 2.266 57.114 54.840 0.013 0.000 0.745 79 L CB -0.709 41.324 42.059 -0.043 0.000 0.894 79 L HN 0.311 nan 8.230 nan 0.000 0.432 80 A N -0.774 122.020 122.820 -0.042 0.000 1.902 80 A HA -0.239 4.082 4.320 0.001 0.000 0.217 80 A C 2.190 179.714 177.584 -0.099 0.000 1.181 80 A CA 1.866 53.862 52.037 -0.068 0.000 0.623 80 A CB -0.698 18.275 19.000 -0.045 0.000 0.818 80 A HN 0.624 nan 8.150 nan 0.000 0.443 81 E N -0.552 119.605 120.200 -0.071 0.000 2.085 81 E HA -0.227 4.124 4.350 0.001 0.000 0.194 81 E C 2.111 178.639 176.600 -0.120 0.000 0.994 81 E CA 1.488 57.841 56.400 -0.078 0.000 0.801 81 E CB -0.124 29.551 29.700 -0.042 0.000 0.743 81 E HN 0.668 nan 8.360 nan 0.000 0.453 82 K N 0.575 120.909 120.400 -0.110 0.000 2.026 82 K HA -0.169 4.151 4.320 0.001 0.000 0.208 82 K C 2.104 178.446 176.600 -0.429 0.000 1.048 82 K CA 1.282 57.482 56.287 -0.145 0.000 0.929 82 K CB -0.118 32.370 32.500 -0.019 0.000 0.713 82 K HN 0.087 nan 8.250 nan 0.000 0.439 83 A N 0.564 123.052 122.820 -0.553 0.000 1.902 83 A HA -0.102 4.219 4.320 0.001 0.000 0.217 83 A C 2.240 179.405 177.584 -0.698 0.000 1.181 83 A CA 1.592 52.970 52.037 -1.098 0.000 0.623 83 A CB -0.620 18.075 19.000 -0.507 0.000 0.818 83 A HN 0.185 nan 8.150 nan 0.000 0.443 84 V N 0.019 119.726 119.914 -0.346 0.000 2.343 84 V HA -0.268 3.853 4.120 0.001 0.000 0.247 84 V C 2.666 178.640 176.094 -0.199 0.000 1.051 84 V CA 2.207 64.378 62.300 -0.215 0.000 1.036 84 V CB -0.787 30.955 31.823 -0.135 0.000 0.654 84 V HN 0.513 nan 8.190 nan 0.000 0.451 85 R N -0.042 120.337 120.500 -0.201 0.000 2.073 85 R HA -0.135 4.206 4.340 0.001 0.000 0.234 85 R C 2.476 178.697 176.300 -0.132 0.000 1.134 85 R CA 1.639 57.657 56.100 -0.137 0.000 0.952 85 R CB -0.931 29.306 30.300 -0.105 0.000 0.850 85 R HN 0.595 nan 8.270 nan 0.000 0.433 86 G N 0.954 109.618 108.800 -0.227 0.000 2.422 86 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 86 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 86 G C 1.472 176.370 174.900 -0.004 0.000 1.146 86 G CA 0.367 45.427 45.100 -0.068 0.000 0.769 86 G HN 0.134 nan 8.290 nan 0.000 0.547 87 L N -0.288 120.874 121.223 -0.102 0.000 2.093 87 L HA -0.001 4.340 4.340 0.001 0.000 0.208 87 L C 3.174 180.018 176.870 -0.044 0.000 1.085 87 L CA 0.771 55.600 54.840 -0.018 0.000 0.755 87 L CB -0.312 41.717 42.059 -0.050 0.000 0.904 87 L HN 0.179 nan 8.230 nan 0.000 0.435 88 R N -0.218 120.241 120.500 -0.069 0.000 2.120 88 R HA -0.133 4.208 4.340 0.001 0.000 0.234 88 R C 2.357 178.625 176.300 -0.053 0.000 1.123 88 R CA 0.996 57.059 56.100 -0.062 0.000 0.975 88 R CB -0.254 30.009 30.300 -0.063 0.000 0.866 88 R HN 0.344 nan 8.270 nan 0.000 0.446 89 R N 0.312 120.787 120.500 -0.042 0.000 2.092 89 R HA -0.024 4.317 4.340 0.001 0.000 0.231 89 R C 2.303 178.572 176.300 -0.052 0.000 1.119 89 R CA 1.244 57.321 56.100 -0.037 0.000 0.970 89 R CB -0.197 30.091 30.300 -0.019 0.000 0.864 89 R HN 0.192 nan 8.270 nan 0.000 0.440 90 A N 0.856 123.650 122.820 -0.043 0.000 1.930 90 A HA -0.155 4.166 4.320 0.001 0.000 0.217 90 A C 2.080 179.585 177.584 -0.131 0.000 1.175 90 A CA 1.093 53.080 52.037 -0.084 0.000 0.627 90 A CB -0.393 18.580 19.000 -0.044 0.000 0.815 90 A HN 0.199 nan 8.150 nan 0.000 0.443 91 R N -0.318 120.123 120.500 -0.099 0.000 2.081 91 R HA -0.109 4.232 4.340 0.001 0.000 0.235 91 R C 2.264 178.506 176.300 -0.097 0.000 1.131 91 R CA 1.361 57.398 56.100 -0.105 0.000 0.960 91 R CB -0.389 29.861 30.300 -0.084 0.000 0.856 91 R HN 0.439 nan 8.270 nan 0.000 0.436 92 A N 0.527 123.300 122.820 -0.079 0.000 1.978 92 A HA -0.111 4.210 4.320 0.001 0.000 0.220 92 A C 2.170 179.710 177.584 -0.073 0.000 1.170 92 A CA 1.700 53.698 52.037 -0.064 0.000 0.636 92 A CB -0.543 18.426 19.000 -0.052 0.000 0.810 92 A HN 0.517 nan 8.150 nan 0.000 0.448 93 A N -2.372 120.386 122.820 -0.104 0.000 2.208 93 A HA 0.413 4.734 4.320 0.001 0.000 0.209 93 A C 1.750 179.239 177.584 -0.159 0.000 1.161 93 A CA 1.359 53.324 52.037 -0.121 0.000 0.782 93 A CB -0.564 18.349 19.000 -0.144 0.000 0.816 93 A HN 1.772 nan 8.150 nan 0.000 0.477 94 G N -2.148 106.546 108.800 -0.176 0.000 2.255 94 G HA2 -0.153 3.807 3.960 0.001 0.000 0.196 94 G HA3 -0.153 3.807 3.960 0.001 0.000 0.196 94 G C 0.142 174.867 174.900 -0.291 0.000 0.998 94 G CA -0.101 44.908 45.100 -0.153 0.000 0.656 94 G HN 0.635 nan 8.290 nan 0.000 0.490 95 V N 2.221 121.841 119.914 -0.489 0.000 2.529 95 V HA 0.316 4.437 4.120 0.001 0.000 0.292 95 V C 1.601 177.606 176.094 -0.148 0.000 1.028 95 V CA 0.453 62.471 62.300 -0.469 0.000 1.074 95 V CB 1.322 32.900 31.823 -0.409 0.000 0.958 95 V HN 0.364 nan 8.190 nan 0.000 0.481 96 R N 2.010 122.504 120.500 -0.011 0.000 2.221 96 R HA 0.202 4.542 4.340 0.001 0.000 0.195 96 R C 0.130 176.462 176.300 0.053 0.000 0.956 96 R CA 0.479 56.589 56.100 0.017 0.000 1.064 96 R CB 0.915 31.278 30.300 0.106 0.000 1.049 96 R HN 0.708 nan 8.270 nan 0.000 0.534 97 T N 1.479 116.110 114.554 0.128 0.000 2.912 97 T HA 0.513 4.864 4.350 0.001 0.000 0.299 97 T C -0.442 174.335 174.700 0.128 0.000 1.052 97 T CA -0.596 61.601 62.100 0.162 0.000 0.996 97 T CB 2.378 71.369 68.868 0.206 0.000 1.070 97 T HN 0.181 nan 8.240 nan 0.000 0.465 98 I N -0.763 119.872 120.570 0.107 0.000 2.689 98 I HA 0.873 5.044 4.170 0.001 0.000 0.299 98 I C -1.210 174.944 176.117 0.062 0.000 1.059 98 I CA -1.248 60.106 61.300 0.089 0.000 1.055 98 I CB 1.919 39.969 38.000 0.084 0.000 1.243 98 I HN 0.299 nan 8.210 nan 0.000 0.425 99 V N 4.266 124.203 119.914 0.039 0.000 2.328 99 V HA 0.274 4.395 4.120 0.001 0.000 0.278 99 V C -0.416 175.626 176.094 -0.086 0.000 1.021 99 V CA -0.236 62.058 62.300 -0.010 0.000 0.838 99 V CB 0.943 32.769 31.823 0.006 0.000 0.999 99 V HN 0.760 nan 8.190 nan 0.000 0.447 100 D N 4.455 124.797 120.400 -0.097 0.000 2.347 100 D HA 0.147 4.788 4.640 0.001 0.000 0.235 100 D C 0.758 176.915 176.300 -0.237 0.000 1.149 100 D CA -0.367 53.533 54.000 -0.167 0.000 0.850 100 D CB 1.953 42.713 40.800 -0.067 0.000 1.061 100 D HN 0.435 nan 8.370 nan 0.000 0.487 101 V N 1.636 121.280 119.914 -0.449 0.000 3.490 101 V HA 0.209 4.330 4.120 0.001 0.000 0.315 101 V C 0.408 176.341 176.094 -0.268 0.000 1.284 101 V CA -0.537 61.516 62.300 -0.411 0.000 1.233 101 V CB -1.007 30.442 31.823 -0.624 0.000 1.101 101 V HN 0.314 nan 8.190 nan 0.000 0.425 102 S N 2.663 118.279 115.700 -0.139 0.000 2.510 102 S HA 0.415 4.886 4.470 0.001 0.000 0.279 102 S C 0.816 175.384 174.600 -0.054 0.000 1.284 102 S CA 0.216 58.390 58.200 -0.043 0.000 1.059 102 S CB 0.713 63.919 63.200 0.010 0.000 0.901 102 S HN 0.873 nan 8.310 nan 0.000 0.491 103 T N 0.428 114.954 114.554 -0.047 0.000 2.884 103 T HA 0.418 4.768 4.350 0.001 0.000 0.277 103 T C 0.940 175.735 174.700 0.158 0.000 0.976 103 T CA -0.845 61.303 62.100 0.080 0.000 0.956 103 T CB 0.184 69.140 68.868 0.147 0.000 1.113 103 T HN 0.372 nan 8.240 nan 0.000 0.554 104 F N 2.099 122.151 119.950 0.171 0.000 2.087 104 F HA -0.210 4.317 4.527 0.001 0.000 0.299 104 F C 2.059 177.954 175.800 0.158 0.000 1.100 104 F CA 2.476 60.599 58.000 0.203 0.000 1.226 104 F CB -0.530 38.672 39.000 0.336 0.000 0.983 104 F HN 0.740 nan 8.300 nan 0.000 0.479 105 D N 0.066 120.544 120.400 0.130 0.000 2.363 105 D HA -0.143 4.498 4.640 0.001 0.000 0.220 105 D C 1.835 178.149 176.300 0.023 0.000 0.994 105 D CA 0.910 54.943 54.000 0.055 0.000 0.890 105 D CB -0.867 40.133 40.800 0.334 0.000 0.906 105 D HN 0.503 nan 8.370 nan 0.000 0.530 106 I N 0.010 120.514 120.570 -0.111 0.000 3.793 106 I HA 0.155 4.325 4.170 0.001 0.000 0.315 106 I C 1.380 177.379 176.117 -0.197 0.000 1.275 106 I CA 0.353 61.459 61.300 -0.323 0.000 1.214 106 I CB -0.037 37.632 38.000 -0.553 0.000 1.018 106 I HN 0.155 nan 8.210 nan 0.000 0.439 107 G N 2.410 111.121 108.800 -0.148 0.000 2.147 107 G HA2 -0.318 3.642 3.960 0.001 0.000 0.244 107 G HA3 -0.318 3.642 3.960 0.001 0.000 0.244 107 G C 0.525 175.394 174.900 -0.050 0.000 1.005 107 G CA -0.052 44.991 45.100 -0.095 0.000 0.713 107 G HN 0.486 nan 8.290 nan 0.000 0.515 108 R N 0.603 121.077 120.500 -0.044 0.000 2.494 108 R HA 0.131 4.472 4.340 0.001 0.000 0.291 108 R C -1.008 175.307 176.300 0.025 0.000 0.953 108 R CA 0.827 56.925 56.100 -0.002 0.000 1.098 108 R CB 0.237 30.556 30.300 0.033 0.000 0.911 108 R HN 0.149 nan 8.270 nan 0.000 0.407 109 D N 5.164 125.575 120.400 0.019 0.000 2.438 109 D HA 0.027 4.668 4.640 0.001 0.000 0.257 109 D C 0.742 177.059 176.300 0.029 0.000 1.148 109 D CA -0.339 53.679 54.000 0.031 0.000 0.902 109 D CB 1.609 42.419 40.800 0.017 0.000 1.062 109 D HN 0.382 nan 8.370 nan 0.000 0.518 110 V N 3.753 123.692 119.914 0.042 0.000 2.594 110 V HA -0.215 3.905 4.120 0.001 0.000 0.253 110 V C 2.123 178.231 176.094 0.023 0.000 1.069 110 V CA 2.851 65.170 62.300 0.031 0.000 1.082 110 V CB -0.228 31.617 31.823 0.036 0.000 0.680 110 V HN 0.641 nan 8.190 nan 0.000 0.469 111 S N -0.266 115.450 115.700 0.026 0.000 2.383 111 S HA -0.183 4.287 4.470 0.001 0.000 0.227 111 S C 1.961 176.567 174.600 0.011 0.000 1.026 111 S CA 1.643 59.854 58.200 0.019 0.000 0.981 111 S CB -0.583 62.631 63.200 0.023 0.000 0.818 111 S HN 0.540 nan 8.310 nan 0.000 0.472 112 L N 1.594 122.822 121.223 0.008 0.000 2.046 112 L HA 0.082 4.422 4.340 0.001 0.000 0.208 112 L C 2.347 179.217 176.870 0.000 0.000 1.077 112 L CA 1.589 56.427 54.840 -0.003 0.000 0.747 112 L CB -0.607 41.443 42.059 -0.015 0.000 0.896 112 L HN 0.369 nan 8.230 nan 0.000 0.432 113 L N -0.535 120.692 121.223 0.008 0.000 2.017 113 L HA -0.201 4.139 4.340 0.001 0.000 0.208 113 L C 2.742 179.619 176.870 0.011 0.000 1.073 113 L CA 1.323 56.171 54.840 0.014 0.000 0.745 113 L CB -1.266 40.803 42.059 0.016 0.000 0.894 113 L HN 0.397 nan 8.230 nan 0.000 0.432 114 A N -0.089 122.737 122.820 0.010 0.000 1.902 114 A HA -0.257 4.064 4.320 0.001 0.000 0.217 114 A C 2.307 179.892 177.584 0.002 0.000 1.181 114 A CA 1.897 53.939 52.037 0.008 0.000 0.623 114 A CB -0.533 18.471 19.000 0.007 0.000 0.818 114 A HN 0.516 nan 8.150 nan 0.000 0.443 115 E N 0.234 120.433 120.200 -0.001 0.000 2.047 115 E HA -0.156 4.194 4.350 0.001 0.000 0.191 115 E C 2.011 178.601 176.600 -0.017 0.000 0.987 115 E CA 2.017 58.412 56.400 -0.008 0.000 0.799 115 E CB -0.256 29.439 29.700 -0.009 0.000 0.752 115 E HN 0.538 nan 8.360 nan 0.000 0.449 116 V N -0.700 119.201 119.914 -0.020 0.000 2.515 116 V HA -0.166 3.955 4.120 0.001 0.000 0.250 116 V C 2.349 178.426 176.094 -0.029 0.000 1.058 116 V CA 2.063 64.341 62.300 -0.036 0.000 1.064 116 V CB -0.621 31.173 31.823 -0.049 0.000 0.675 116 V HN 0.241 nan 8.190 nan 0.000 0.461 117 S N 0.644 116.338 115.700 -0.011 0.000 2.368 117 S HA -0.193 4.278 4.470 0.001 0.000 0.225 117 S C 2.217 176.805 174.600 -0.020 0.000 1.030 117 S CA 1.849 60.045 58.200 -0.007 0.000 0.999 117 S CB -0.365 62.846 63.200 0.018 0.000 0.844 117 S HN 0.712 nan 8.310 nan 0.000 0.459 118 R N 0.654 121.146 120.500 -0.013 0.000 2.075 118 R HA 0.071 4.412 4.340 0.001 0.000 0.232 118 R C 2.660 178.943 176.300 -0.028 0.000 1.126 118 R CA 1.335 57.426 56.100 -0.016 0.000 0.963 118 R CB -0.554 29.741 30.300 -0.008 0.000 0.858 118 R HN 0.484 nan 8.270 nan 0.000 0.435 119 A N 0.892 123.693 122.820 -0.032 0.000 1.930 119 A HA -0.006 4.315 4.320 0.001 0.000 0.217 119 A C 2.197 179.751 177.584 -0.050 0.000 1.175 119 A CA 1.560 53.573 52.037 -0.039 0.000 0.627 119 A CB -0.378 18.597 19.000 -0.042 0.000 0.815 119 A HN 0.382 nan 8.150 nan 0.000 0.443 120 A N -1.631 121.154 122.820 -0.058 0.000 2.132 120 A HA 0.297 4.618 4.320 0.001 0.000 0.213 120 A C 0.806 178.346 177.584 -0.074 0.000 1.154 120 A CA 1.113 53.109 52.037 -0.067 0.000 0.753 120 A CB -0.151 18.805 19.000 -0.073 0.000 0.826 120 A HN 0.554 nan 8.150 nan 0.000 0.469 121 D N -1.276 119.078 120.400 -0.076 0.000 2.718 121 D HA -0.122 4.519 4.640 0.001 0.000 0.242 121 D C -0.872 175.327 176.300 -0.168 0.000 1.123 121 D CA 0.842 54.778 54.000 -0.107 0.000 0.690 121 D CB -1.583 39.163 40.800 -0.090 0.000 1.059 121 D HN 0.204 nan 8.370 nan 0.000 0.429 122 V N 2.649 122.470 119.914 -0.156 0.000 2.577 122 V HA 0.321 4.441 4.120 0.001 0.000 0.303 122 V C 0.267 176.279 176.094 -0.137 0.000 1.042 122 V CA -0.946 61.248 62.300 -0.176 0.000 0.872 122 V CB 1.926 33.704 31.823 -0.075 0.000 0.998 122 V HN 0.245 nan 8.190 nan 0.000 0.423 123 H N 4.806 123.881 119.070 0.009 0.000 2.848 123 H HA 0.450 5.007 4.556 0.001 0.000 0.341 123 H C -0.338 174.998 175.328 0.013 0.000 1.060 123 H CA 0.250 56.303 56.048 0.009 0.000 1.444 123 H CB 0.931 30.701 29.762 0.013 0.000 1.446 123 H HN 0.432 nan 8.280 nan 0.000 0.583 124 I N 3.133 123.788 120.570 0.142 0.000 2.447 124 I HA 0.106 4.277 4.170 0.001 0.000 0.287 124 I C -0.293 175.850 176.117 0.043 0.000 1.023 124 I CA -0.795 60.551 61.300 0.076 0.000 1.083 124 I CB 2.021 40.051 38.000 0.051 0.000 1.245 124 I HN 0.124 nan 8.210 nan 0.000 0.434 125 V N 5.660 125.588 119.914 0.022 0.000 2.432 125 V HA 0.537 4.658 4.120 0.001 0.000 0.275 125 V C 0.670 176.744 176.094 -0.032 0.000 1.043 125 V CA -0.347 61.945 62.300 -0.014 0.000 0.925 125 V CB 1.249 33.059 31.823 -0.023 0.000 0.985 125 V HN 0.829 nan 8.190 nan 0.000 0.466 126 A N 4.459 127.255 122.820 -0.039 0.000 2.279 126 A HA 0.936 5.256 4.320 0.001 0.000 0.303 126 A C 0.162 177.704 177.584 -0.069 0.000 1.108 126 A CA -0.062 51.948 52.037 -0.044 0.000 0.830 126 A CB 1.152 20.136 19.000 -0.026 0.000 1.106 126 A HN 1.231 nan 8.150 nan 0.000 0.493 127 A N -0.052 122.725 122.820 -0.072 0.000 2.386 127 A HA 0.846 5.167 4.320 0.001 0.000 0.308 127 A C 0.053 177.587 177.584 -0.085 0.000 1.128 127 A CA -0.024 51.955 52.037 -0.097 0.000 0.789 127 A CB 1.420 20.350 19.000 -0.117 0.000 1.325 127 A HN 1.182 nan 8.150 nan 0.000 0.437 128 T N -1.394 113.071 114.554 -0.148 0.000 2.762 128 T HA 0.805 5.156 4.350 0.001 0.000 0.272 128 T C 0.248 174.764 174.700 -0.307 0.000 0.982 128 T CA 0.799 62.787 62.100 -0.187 0.000 1.013 128 T CB 1.206 69.922 68.868 -0.254 0.000 1.309 128 T HN 2.677 nan 8.240 nan 0.000 0.572 129 G N -0.189 108.290 108.800 -0.534 0.000 2.422 129 G HA2 0.173 4.134 3.960 0.001 0.000 0.607 129 G HA3 0.173 4.134 3.960 0.001 0.000 0.607 129 G C -1.989 172.947 174.900 0.060 0.000 1.270 129 G CA -0.439 44.279 45.100 -0.636 0.000 0.992 129 G HN 0.866 nan 8.290 nan 0.000 0.499 130 L N -1.175 120.170 121.223 0.202 0.000 2.434 130 L HA 0.707 5.047 4.340 0.001 0.000 0.260 130 L C -0.062 177.008 176.870 0.334 0.000 0.983 130 L CA -0.747 54.327 54.840 0.390 0.000 0.820 130 L CB 2.380 44.745 42.059 0.510 0.000 1.361 130 L HN 0.859 nan 8.230 nan 0.000 0.410 131 W N 1.458 122.807 121.300 0.082 0.000 2.537 131 W HA 0.396 5.057 4.660 0.002 0.000 0.591 131 W C 0.465 176.968 176.519 -0.026 0.000 1.460 131 W CA -0.109 57.161 57.345 -0.124 0.000 1.308 131 W CB 0.256 29.590 29.460 -0.210 0.000 3.071 131 W HN 0.294 nan 8.180 nan 0.000 0.738 132 F N 0.863 120.462 119.950 -0.585 0.000 2.773 132 F HA 0.173 4.701 4.527 0.001 0.000 0.304 132 F C 0.801 176.431 175.800 -0.283 0.000 1.129 132 F CA 0.079 57.729 58.000 -0.583 0.000 1.378 132 F CB -0.467 37.975 39.000 -0.930 0.000 1.095 132 F HN -0.026 nan 8.300 nan 0.000 0.565 133 D N 1.011 121.505 120.400 0.156 0.000 2.963 133 D HA 0.194 4.835 4.640 0.001 0.000 0.361 133 D C -2.696 173.743 176.300 0.232 0.000 1.317 133 D CA -2.231 51.891 54.000 0.203 0.000 0.832 133 D CB 0.403 41.395 40.800 0.320 0.000 1.135 133 D HN -0.066 nan 8.370 nan 0.000 0.476 134 P HA 0.249 nan 4.420 nan 0.000 0.271 134 P C -2.592 174.776 177.300 0.113 0.000 1.216 134 P CA -1.145 62.089 63.100 0.224 0.000 0.776 134 P CB 0.606 32.437 31.700 0.219 0.000 0.881 135 P HA 0.237 nan 4.420 nan 0.000 0.278 135 P C 1.266 178.563 177.300 -0.006 0.000 1.266 135 P CA -0.537 62.613 63.100 0.083 0.000 0.807 135 P CB 1.093 32.881 31.700 0.147 0.000 1.094 136 L N 0.241 121.448 121.223 -0.025 0.000 2.081 136 L HA -0.227 4.114 4.340 0.001 0.000 0.212 136 L C 2.358 179.182 176.870 -0.077 0.000 1.080 136 L CA 1.885 56.684 54.840 -0.068 0.000 0.754 136 L CB -0.862 41.172 42.059 -0.042 0.000 0.893 136 L HN 0.384 nan 8.230 nan 0.000 0.433 137 S N -1.120 114.555 115.700 -0.043 0.000 2.469 137 S HA -0.085 4.386 4.470 0.001 0.000 0.238 137 S C 1.830 176.368 174.600 -0.104 0.000 0.998 137 S CA 0.977 59.139 58.200 -0.064 0.000 0.957 137 S CB 0.006 63.175 63.200 -0.052 0.000 0.764 137 S HN 0.309 nan 8.310 nan 0.000 0.514 138 M N 0.502 120.044 119.600 -0.096 0.000 2.556 138 M HA 0.210 4.691 4.480 0.001 0.000 0.264 138 M C 1.967 178.188 176.300 -0.131 0.000 1.163 138 M CA 0.749 56.000 55.300 -0.082 0.000 1.186 138 M CB -0.903 31.707 32.600 0.016 0.000 1.321 138 M HN 0.169 nan 8.290 nan 0.000 0.485 139 R N 0.637 120.910 120.500 -0.379 0.000 2.139 139 R HA -0.085 4.256 4.340 0.001 0.000 0.243 139 R C 1.794 177.808 176.300 -0.476 0.000 1.145 139 R CA 1.097 56.678 56.100 -0.865 0.000 0.976 139 R CB -0.477 29.472 30.300 -0.585 0.000 0.866 139 R HN 0.353 nan 8.270 nan 0.000 0.449 140 L N 0.675 121.777 121.223 -0.202 0.000 2.591 140 L HA 0.069 4.410 4.340 0.001 0.000 0.228 140 L C 0.536 177.401 176.870 -0.008 0.000 1.133 140 L CA -0.014 54.774 54.840 -0.085 0.000 0.880 140 L CB -0.122 41.895 42.059 -0.069 0.000 1.033 140 L HN -0.010 nan 8.230 nan 0.000 0.450 141 R N 0.834 121.360 120.500 0.043 0.000 2.531 141 R HA 0.271 4.612 4.340 0.001 0.000 0.273 141 R C 0.510 176.883 176.300 0.121 0.000 1.070 141 R CA -0.064 56.076 56.100 0.067 0.000 1.112 141 R CB 1.187 31.508 30.300 0.035 0.000 1.049 141 R HN 0.095 nan 8.270 nan 0.000 0.508 142 S N -0.342 115.390 115.700 0.053 0.000 2.681 142 S HA 0.067 4.537 4.470 0.001 0.000 0.270 142 S C 1.257 175.862 174.600 0.009 0.000 1.209 142 S CA -0.715 57.510 58.200 0.042 0.000 0.988 142 S CB 1.178 64.389 63.200 0.018 0.000 1.006 142 S HN 0.415 nan 8.310 nan 0.000 0.558 143 V N 0.916 120.828 119.914 -0.004 0.000 2.407 143 V HA -0.137 3.984 4.120 0.001 0.000 0.248 143 V C 2.250 178.316 176.094 -0.047 0.000 1.055 143 V CA 2.441 64.719 62.300 -0.036 0.000 1.049 143 V CB -1.160 30.652 31.823 -0.018 0.000 0.662 143 V HN 0.930 nan 8.190 nan 0.000 0.455 144 E N 0.264 120.448 120.200 -0.028 0.000 2.072 144 E HA -0.185 4.166 4.350 0.001 0.000 0.191 144 E C 2.162 178.735 176.600 -0.045 0.000 0.985 144 E CA 1.784 58.167 56.400 -0.029 0.000 0.801 144 E CB -0.222 29.469 29.700 -0.015 0.000 0.750 144 E HN 0.761 nan 8.360 nan 0.000 0.452 145 E N 0.351 120.526 120.200 -0.042 0.000 2.072 145 E HA -0.145 4.205 4.350 0.001 0.000 0.191 145 E C 2.129 178.677 176.600 -0.088 0.000 0.985 145 E CA 0.804 57.176 56.400 -0.048 0.000 0.801 145 E CB -0.170 29.508 29.700 -0.037 0.000 0.750 145 E HN 0.218 nan 8.360 nan 0.000 0.452 146 L N 0.938 122.072 121.223 -0.149 0.000 2.079 146 L HA -0.184 4.156 4.340 0.001 0.000 0.210 146 L C 2.551 179.099 176.870 -0.538 0.000 1.081 146 L CA 1.248 55.875 54.840 -0.355 0.000 0.752 146 L CB -0.797 41.028 42.059 -0.390 0.000 0.896 146 L HN 0.191 nan 8.230 nan 0.000 0.433 147 T N -1.346 113.037 114.554 -0.285 0.000 2.720 147 T HA -0.242 4.109 4.350 0.001 0.000 0.268 147 T C 1.921 176.569 174.700 -0.087 0.000 1.037 147 T CA 1.188 63.194 62.100 -0.156 0.000 1.144 147 T CB -0.159 68.682 68.868 -0.045 0.000 0.864 147 T HN 0.192 nan 8.240 nan 0.000 0.444 148 Q N 0.214 119.975 119.800 -0.066 0.000 2.050 148 Q HA -0.002 4.339 4.340 0.001 0.000 0.202 148 Q C 1.930 177.941 176.000 0.018 0.000 0.980 148 Q CA 1.281 57.074 55.803 -0.016 0.000 0.840 148 Q CB -0.834 27.898 28.738 -0.009 0.000 0.898 148 Q HN 0.598 nan 8.270 nan 0.000 0.424 149 F N -0.037 119.826 119.950 -0.145 0.000 2.134 149 F HA -0.200 4.328 4.527 0.001 0.000 0.299 149 F C 1.585 177.449 175.800 0.106 0.000 1.097 149 F CA 1.075 59.029 58.000 -0.076 0.000 1.264 149 F CB -0.313 38.593 39.000 -0.157 0.000 1.001 149 F HN 0.013 nan 8.300 nan 0.000 0.479 150 F N 0.591 120.442 119.950 -0.166 0.000 2.134 150 F HA -0.145 4.383 4.527 0.001 0.000 0.299 150 F C 2.326 178.005 175.800 -0.200 0.000 1.097 150 F CA 0.957 58.810 58.000 -0.245 0.000 1.264 150 F CB -1.595 37.364 39.000 -0.069 0.000 1.001 150 F HN 0.022 nan 8.300 nan 0.000 0.479 151 L N -0.497 120.768 121.223 0.070 0.000 2.093 151 L HA -0.161 4.179 4.340 0.001 0.000 0.208 151 L C 2.711 179.579 176.870 -0.003 0.000 1.085 151 L CA 1.056 55.912 54.840 0.027 0.000 0.755 151 L CB -0.556 41.516 42.059 0.021 0.000 0.904 151 L HN 0.056 nan 8.230 nan 0.000 0.435 152 R N 0.761 121.240 120.500 -0.034 0.000 2.080 152 R HA -0.210 4.131 4.340 0.001 0.000 0.236 152 R C 2.013 178.316 176.300 0.004 0.000 1.137 152 R CA 1.920 58.013 56.100 -0.012 0.000 0.943 152 R CB -0.216 30.061 30.300 -0.038 0.000 0.846 152 R HN 0.414 nan 8.270 nan 0.000 0.431 153 E N -0.014 120.102 120.200 -0.140 0.000 2.204 153 E HA -0.177 4.173 4.350 0.001 0.000 0.195 153 E C 2.047 178.609 176.600 -0.063 0.000 0.990 153 E CA 1.330 57.656 56.400 -0.123 0.000 0.821 153 E CB -0.032 29.512 29.700 -0.260 0.000 0.750 153 E HN 0.496 nan 8.360 nan 0.000 0.477 154 I N 0.487 121.023 120.570 -0.056 0.000 2.494 154 I HA -0.202 3.969 4.170 0.001 0.000 0.250 154 I C 2.356 178.462 176.117 -0.019 0.000 1.112 154 I CA 0.879 62.151 61.300 -0.046 0.000 1.438 154 I CB 0.006 37.977 38.000 -0.049 0.000 1.111 154 I HN 0.013 nan 8.210 nan 0.000 0.431 155 Q N -0.707 119.102 119.800 0.015 0.000 2.226 155 Q HA -0.108 4.232 4.340 0.001 0.000 0.199 155 Q C 1.921 177.967 176.000 0.076 0.000 0.945 155 Q CA 1.158 56.983 55.803 0.037 0.000 0.861 155 Q CB 0.027 28.793 28.738 0.047 0.000 0.953 155 Q HN 0.462 nan 8.270 nan 0.000 0.490 156 Y N 0.188 120.470 120.300 -0.030 0.000 2.301 156 Y HA 0.238 4.789 4.550 0.001 0.000 0.295 156 Y C 0.708 176.597 175.900 -0.019 0.000 1.119 156 Y CA 1.414 59.502 58.100 -0.019 0.000 1.162 156 Y CB 0.650 39.103 38.460 -0.013 0.000 1.046 156 Y HN 0.108 nan 8.280 nan 0.000 0.538 157 G N 0.195 109.016 108.800 0.035 0.000 2.357 157 G HA2 -0.014 3.947 3.960 0.001 0.000 0.643 157 G HA3 -0.014 3.947 3.960 0.001 0.000 0.643 157 G C -1.595 173.329 174.900 0.040 0.000 1.358 157 G CA -0.571 44.499 45.100 -0.050 0.000 0.986 157 G HN 0.194 nan 8.290 nan 0.000 0.620 158 I N 2.021 122.603 120.570 0.021 0.000 2.441 158 I HA 0.353 4.524 4.170 0.001 0.000 0.287 158 I C 1.206 177.385 176.117 0.105 0.000 1.049 158 I CA 0.343 61.685 61.300 0.071 0.000 1.381 158 I CB 0.873 38.908 38.000 0.059 0.000 1.409 158 I HN 0.966 nan 8.210 nan 0.000 0.523 159 E N 3.523 123.822 120.200 0.165 0.000 3.304 159 E HA -0.331 4.020 4.350 0.001 0.000 0.365 159 E C 0.031 176.733 176.600 0.169 0.000 1.512 159 E CA 1.777 58.282 56.400 0.173 0.000 1.642 159 E CB -0.510 29.279 29.700 0.147 0.000 1.738 159 E HN 0.931 nan 8.360 nan 0.000 0.483 160 D N 0.181 120.650 120.400 0.116 0.000 2.501 160 D HA 0.048 4.689 4.640 0.001 0.000 0.226 160 D C 1.003 177.308 176.300 0.008 0.000 1.198 160 D CA 0.893 54.944 54.000 0.084 0.000 0.830 160 D CB -0.096 40.757 40.800 0.088 0.000 1.014 160 D HN 0.409 nan 8.370 nan 0.000 0.496 161 T N -4.211 110.340 114.554 -0.005 0.000 3.054 161 T HA 0.281 4.631 4.350 0.001 0.000 0.259 161 T C 1.868 176.522 174.700 -0.078 0.000 1.092 161 T CA 0.783 62.867 62.100 -0.027 0.000 1.121 161 T CB -0.188 68.678 68.868 -0.003 0.000 0.912 161 T HN 0.344 nan 8.240 nan 0.000 0.489 162 G N 1.447 110.160 108.800 -0.146 0.000 2.179 162 G HA2 -0.226 3.734 3.960 0.001 0.000 0.260 162 G HA3 -0.226 3.734 3.960 0.001 0.000 0.260 162 G C 0.079 174.908 174.900 -0.119 0.000 0.977 162 G CA 0.168 45.153 45.100 -0.192 0.000 0.641 162 G HN 0.666 nan 8.290 nan 0.000 0.533 163 I N 1.682 122.209 120.570 -0.072 0.000 2.379 163 I HA 0.289 4.460 4.170 0.001 0.000 0.290 163 I C 1.019 177.108 176.117 -0.047 0.000 1.063 163 I CA -0.308 60.964 61.300 -0.047 0.000 1.351 163 I CB 0.572 38.559 38.000 -0.023 0.000 1.410 163 I HN 0.068 nan 8.210 nan 0.000 0.505 164 R N 5.026 125.494 120.500 -0.053 0.000 2.428 164 R HA 0.634 4.975 4.340 0.001 0.000 0.294 164 R C -0.106 176.161 176.300 -0.055 0.000 1.000 164 R CA -0.708 55.361 56.100 -0.053 0.000 0.960 164 R CB 1.375 31.641 30.300 -0.056 0.000 1.076 164 R HN 0.706 nan 8.270 nan 0.000 0.475 165 A N 1.251 124.033 122.820 -0.062 0.000 2.462 165 A HA 0.339 4.660 4.320 0.001 0.000 0.243 165 A C 1.020 178.549 177.584 -0.091 0.000 1.076 165 A CA 0.098 52.088 52.037 -0.078 0.000 0.773 165 A CB 0.380 19.320 19.000 -0.099 0.000 1.010 165 A HN 0.942 nan 8.150 nan 0.000 0.493 166 G N 0.502 109.242 108.800 -0.099 0.000 3.228 166 G HA2 0.459 4.420 3.960 0.001 0.000 0.245 166 G HA3 0.459 4.420 3.960 0.001 0.000 0.245 166 G C -0.004 174.803 174.900 -0.155 0.000 1.051 166 G CA 0.387 45.417 45.100 -0.116 0.000 0.809 166 G HN 0.755 nan 8.290 nan 0.000 0.531 167 I N -0.333 120.143 120.570 -0.157 0.000 2.947 167 I HA 0.483 4.654 4.170 0.001 0.000 0.301 167 I C -1.733 174.273 176.117 -0.185 0.000 1.453 167 I CA -1.310 59.878 61.300 -0.188 0.000 0.984 167 I CB 2.603 40.508 38.000 -0.159 0.000 1.333 167 I HN -0.145 nan 8.210 nan 0.000 0.475 168 I N 4.586 125.037 120.570 -0.198 0.000 2.378 168 I HA 0.404 4.575 4.170 0.001 0.000 0.291 168 I C -0.816 175.201 176.117 -0.167 0.000 0.992 168 I CA -0.642 60.513 61.300 -0.243 0.000 1.154 168 I CB 1.662 39.494 38.000 -0.280 0.000 1.315 168 I HN 0.321 nan 8.210 nan 0.000 0.448 169 K N 7.081 127.384 120.400 -0.163 0.000 2.206 169 K HA 0.709 5.030 4.320 0.001 0.000 0.264 169 K C -0.987 175.611 176.600 -0.003 0.000 0.967 169 K CA -0.509 55.741 56.287 -0.061 0.000 0.844 169 K CB 1.395 33.854 32.500 -0.069 0.000 1.099 169 K HN 0.477 nan 8.250 nan 0.000 0.441 170 V N -0.054 119.914 119.914 0.090 0.000 3.158 170 V HA 1.025 5.146 4.120 0.001 0.000 0.311 170 V C -0.935 175.263 176.094 0.174 0.000 1.181 170 V CA -0.839 61.547 62.300 0.143 0.000 1.054 170 V CB 1.450 33.390 31.823 0.195 0.000 1.085 170 V HN 0.906 nan 8.190 nan 0.000 0.446 171 A N 0.909 123.817 122.820 0.147 0.000 2.594 171 A HA 0.985 5.305 4.320 0.001 0.000 0.295 171 A C -0.401 177.314 177.584 0.218 0.000 1.071 171 A CA 0.003 52.138 52.037 0.163 0.000 0.685 171 A CB 1.799 20.664 19.000 -0.225 0.000 1.285 171 A HN 2.117 nan 8.150 nan 0.000 0.405 172 T N -2.010 112.738 114.554 0.325 0.000 2.883 172 T HA 0.756 5.107 4.350 0.001 0.000 0.301 172 T C -0.621 174.265 174.700 0.311 0.000 1.158 172 T CA -0.316 61.932 62.100 0.247 0.000 1.007 172 T CB 1.971 70.915 68.868 0.127 0.000 1.186 172 T HN 1.384 nan 8.240 nan 0.000 0.499 173 T N 0.804 115.433 114.554 0.126 0.000 3.296 173 T HA 0.619 4.970 4.350 0.001 0.000 0.333 173 T C 0.428 175.132 174.700 0.008 0.000 1.280 173 T CA 0.951 63.089 62.100 0.062 0.000 1.558 173 T CB -0.872 67.888 68.868 -0.179 0.000 0.929 173 T HN 1.935 nan 8.240 nan 0.000 0.596 174 G N 2.976 111.793 108.800 0.028 0.000 2.512 174 G HA2 -0.124 3.837 3.960 0.001 0.000 0.210 174 G HA3 -0.124 3.837 3.960 0.001 0.000 0.210 174 G C -0.532 174.366 174.900 -0.003 0.000 1.295 174 G CA -0.537 44.560 45.100 -0.005 0.000 0.934 174 G HN 0.763 nan 8.290 nan 0.000 0.554 175 K N 0.794 121.186 120.400 -0.014 0.000 2.484 175 K HA 0.473 4.794 4.320 0.001 0.000 0.280 175 K C 0.944 177.543 176.600 -0.002 0.000 1.013 175 K CA 0.394 56.674 56.287 -0.012 0.000 1.029 175 K CB 0.157 32.648 32.500 -0.014 0.000 0.902 175 K HN 1.360 nan 8.250 nan 0.000 0.481 176 A N 3.617 126.435 122.820 -0.003 0.000 2.477 176 A HA 0.113 4.433 4.320 0.001 0.000 0.246 176 A C 0.353 177.948 177.584 0.018 0.000 1.078 176 A CA -0.075 51.967 52.037 0.008 0.000 0.770 176 A CB 0.009 19.000 19.000 -0.014 0.000 1.011 176 A HN 0.865 nan 8.150 nan 0.000 0.494 177 T N 0.723 115.302 114.554 0.042 0.000 2.788 177 T HA 0.390 4.741 4.350 0.001 0.000 0.287 177 T C -1.809 172.932 174.700 0.068 0.000 1.007 177 T CA -1.165 60.971 62.100 0.059 0.000 1.005 177 T CB 0.460 69.384 68.868 0.094 0.000 1.012 177 T HN 0.357 nan 8.240 nan 0.000 0.530 178 P HA -0.047 nan 4.420 nan 0.000 0.216 178 P C 1.233 178.602 177.300 0.116 0.000 1.150 178 P CA 0.704 63.851 63.100 0.079 0.000 0.837 178 P CB -0.146 31.603 31.700 0.082 0.000 0.786 179 F N 0.782 120.748 119.950 0.026 0.000 2.146 179 F HA -0.144 4.384 4.527 0.001 0.000 0.298 179 F C 2.218 178.054 175.800 0.059 0.000 1.096 179 F CA 1.581 59.604 58.000 0.038 0.000 1.275 179 F CB -0.888 38.135 39.000 0.039 0.000 1.008 179 F HN -0.131 nan 8.300 nan 0.000 0.480 180 Q N 0.061 119.863 119.800 0.003 0.000 2.170 180 Q HA -0.213 4.128 4.340 0.001 0.000 0.203 180 Q C 2.014 177.953 176.000 -0.101 0.000 0.976 180 Q CA 1.928 57.691 55.803 -0.066 0.000 0.858 180 Q CB -0.294 28.472 28.738 0.045 0.000 0.907 180 Q HN 0.578 nan 8.270 nan 0.000 0.433 181 E N 0.506 120.666 120.200 -0.066 0.000 2.106 181 E HA -0.152 4.199 4.350 0.001 0.000 0.192 181 E C 2.016 178.567 176.600 -0.082 0.000 0.984 181 E CA 0.718 57.081 56.400 -0.062 0.000 0.806 181 E CB -0.077 29.603 29.700 -0.033 0.000 0.750 181 E HN 0.368 nan 8.360 nan 0.000 0.458 182 L N 0.715 121.851 121.223 -0.145 0.000 2.083 182 L HA -0.157 4.183 4.340 0.001 0.000 0.209 182 L C 2.512 179.281 176.870 -0.168 0.000 1.083 182 L CA 0.723 55.468 54.840 -0.158 0.000 0.752 182 L CB -0.471 41.455 42.059 -0.221 0.000 0.899 182 L HN 0.051 nan 8.230 nan 0.000 0.433 183 V N 0.079 119.824 119.914 -0.283 0.000 2.295 183 V HA -0.290 3.831 4.120 0.001 0.000 0.246 183 V C 2.458 178.629 176.094 0.129 0.000 1.049 183 V CA 1.573 63.826 62.300 -0.079 0.000 1.024 183 V CB -0.370 31.384 31.823 -0.114 0.000 0.648 183 V HN 0.262 nan 8.190 nan 0.000 0.447 184 L N -0.363 120.906 121.223 0.077 0.000 2.042 184 L HA -0.197 4.143 4.340 0.001 0.000 0.210 184 L C 2.442 179.468 176.870 0.260 0.000 1.076 184 L CA 1.956 56.909 54.840 0.189 0.000 0.749 184 L CB -0.674 41.369 42.059 -0.027 0.000 0.893 184 L HN 0.248 nan 8.230 nan 0.000 0.432 185 K N -0.848 119.633 120.400 0.134 0.000 2.057 185 K HA -0.093 4.228 4.320 0.001 0.000 0.206 185 K C 2.204 178.892 176.600 0.148 0.000 1.050 185 K CA 1.230 57.597 56.287 0.134 0.000 0.935 185 K CB -0.340 32.196 32.500 0.060 0.000 0.715 185 K HN 0.315 nan 8.250 nan 0.000 0.439 186 A N 1.563 124.462 122.820 0.132 0.000 1.933 186 A HA -0.135 4.185 4.320 0.001 0.000 0.218 186 A C 2.354 180.129 177.584 0.318 0.000 1.175 186 A CA 1.879 54.001 52.037 0.142 0.000 0.628 186 A CB -0.630 18.365 19.000 -0.008 0.000 0.814 186 A HN 0.341 nan 8.150 nan 0.000 0.444 187 A N -0.206 122.849 122.820 0.393 0.000 1.898 187 A HA 0.194 4.515 4.320 0.001 0.000 0.216 187 A C 2.493 180.162 177.584 0.142 0.000 1.181 187 A CA 1.973 54.179 52.037 0.282 0.000 0.620 187 A CB -0.949 18.179 19.000 0.212 0.000 0.819 187 A HN 1.018 nan 8.150 nan 0.000 0.442 188 A N -0.155 122.771 122.820 0.177 0.000 1.898 188 A HA -0.139 4.182 4.320 0.001 0.000 0.216 188 A C 2.249 179.876 177.584 0.073 0.000 1.181 188 A CA 1.514 53.611 52.037 0.099 0.000 0.620 188 A CB -0.421 18.708 19.000 0.216 0.000 0.819 188 A HN 0.544 nan 8.150 nan 0.000 0.442 189 R N -0.537 120.023 120.500 0.100 0.000 2.075 189 R HA -0.006 4.335 4.340 0.001 0.000 0.232 189 R C 2.468 178.805 176.300 0.060 0.000 1.126 189 R CA 1.123 57.265 56.100 0.069 0.000 0.963 189 R CB -0.432 29.907 30.300 0.066 0.000 0.858 189 R HN 0.497 nan 8.270 nan 0.000 0.435 190 A N 0.374 123.254 122.820 0.100 0.000 1.902 190 A HA -0.185 4.135 4.320 0.001 0.000 0.217 190 A C 2.171 179.767 177.584 0.022 0.000 1.181 190 A CA 1.842 53.931 52.037 0.087 0.000 0.623 190 A CB -0.613 18.499 19.000 0.187 0.000 0.818 190 A HN 0.316 nan 8.150 nan 0.000 0.443 191 S N -0.540 115.158 115.700 -0.004 0.000 2.382 191 S HA -0.080 4.391 4.470 0.001 0.000 0.228 191 S C 1.933 176.503 174.600 -0.051 0.000 1.027 191 S CA 1.333 59.497 58.200 -0.061 0.000 0.991 191 S CB -0.479 62.655 63.200 -0.110 0.000 0.823 191 S HN 0.492 nan 8.310 nan 0.000 0.469 192 L N 0.864 122.073 121.223 -0.024 0.000 2.083 192 L HA -0.050 4.290 4.340 0.001 0.000 0.209 192 L C 2.927 179.787 176.870 -0.017 0.000 1.083 192 L CA 1.243 56.072 54.840 -0.019 0.000 0.752 192 L CB -0.611 41.449 42.059 0.001 0.000 0.899 192 L HN 0.442 nan 8.230 nan 0.000 0.433 193 A N -0.428 122.388 122.820 -0.008 0.000 1.929 193 A HA -0.160 4.161 4.320 0.001 0.000 0.216 193 A C 2.344 179.917 177.584 -0.018 0.000 1.176 193 A CA 2.011 54.043 52.037 -0.007 0.000 0.628 193 A CB -0.579 18.423 19.000 0.004 0.000 0.816 193 A HN 0.504 nan 8.150 nan 0.000 0.444 194 T N -5.971 108.566 114.554 -0.028 0.000 3.023 194 T HA 0.426 4.776 4.350 0.001 0.000 0.249 194 T C 1.515 176.180 174.700 -0.059 0.000 1.050 194 T CA 1.185 63.261 62.100 -0.041 0.000 1.088 194 T CB 0.365 69.207 68.868 -0.043 0.000 0.946 194 T HN 1.639 nan 8.240 nan 0.000 0.480 195 G N 0.816 109.573 108.800 -0.071 0.000 2.213 195 G HA2 -0.211 3.750 3.960 0.001 0.000 0.236 195 G HA3 -0.211 3.750 3.960 0.001 0.000 0.236 195 G C 0.088 174.910 174.900 -0.130 0.000 0.991 195 G CA -0.075 44.972 45.100 -0.088 0.000 0.629 195 G HN 0.703 nan 8.290 nan 0.000 0.517 196 V N 4.051 123.881 119.914 -0.140 0.000 2.637 196 V HA 0.406 4.526 4.120 0.001 0.000 0.296 196 V C -0.813 175.132 176.094 -0.249 0.000 1.046 196 V CA -0.709 61.476 62.300 -0.192 0.000 1.066 196 V CB 1.290 33.019 31.823 -0.156 0.000 0.968 196 V HN 0.301 nan 8.190 nan 0.000 0.483 197 P HA 0.248 nan 4.420 nan 0.000 0.274 197 P C -0.961 176.142 177.300 -0.327 0.000 1.246 197 P CA -0.168 62.637 63.100 -0.490 0.000 0.795 197 P CB 1.058 32.025 31.700 -1.222 0.000 1.006 198 V N 0.421 120.218 119.914 -0.195 0.000 2.555 198 V HA 0.525 4.646 4.120 0.001 0.000 0.302 198 V C 0.349 176.504 176.094 0.103 0.000 1.038 198 V CA -0.223 62.008 62.300 -0.114 0.000 0.887 198 V CB 1.679 33.327 31.823 -0.292 0.000 0.991 198 V HN 0.659 nan 8.190 nan 0.000 0.434 199 T N 2.844 117.460 114.554 0.103 0.000 2.886 199 T HA 0.712 5.063 4.350 0.001 0.000 0.292 199 T C -0.422 174.354 174.700 0.127 0.000 1.012 199 T CA -0.149 62.051 62.100 0.168 0.000 0.982 199 T CB 1.524 70.510 68.868 0.196 0.000 1.018 199 T HN 1.047 nan 8.240 nan 0.000 0.451 200 T N 1.144 115.776 114.554 0.130 0.000 2.916 200 T HA 0.570 4.921 4.350 0.001 0.000 0.292 200 T C -0.781 173.960 174.700 0.068 0.000 1.055 200 T CA -0.776 61.414 62.100 0.151 0.000 1.009 200 T CB 1.358 70.352 68.868 0.209 0.000 1.118 200 T HN 0.772 nan 8.240 nan 0.000 0.497 201 H N 0.735 119.829 119.070 0.041 0.000 2.489 201 H HA 0.636 5.193 4.556 0.001 0.000 0.322 201 H C -0.033 175.384 175.328 0.147 0.000 1.091 201 H CA -0.290 55.771 56.048 0.022 0.000 1.291 201 H CB 1.123 31.062 29.762 0.295 0.000 1.436 201 H HN 1.014 nan 8.280 nan 0.000 0.480 202 T N 1.789 116.336 114.554 -0.011 0.000 2.906 202 T HA 0.644 4.995 4.350 0.001 0.000 0.295 202 T C -0.447 174.305 174.700 0.086 0.000 1.075 202 T CA -0.839 61.342 62.100 0.135 0.000 1.005 202 T CB 1.560 70.480 68.868 0.088 0.000 1.136 202 T HN 0.729 nan 8.240 nan 0.000 0.498 203 A N 1.188 124.092 122.820 0.139 0.000 2.736 203 A HA 0.723 5.044 4.320 0.001 0.000 0.335 203 A C 1.615 179.215 177.584 0.026 0.000 1.446 203 A CA -0.211 51.879 52.037 0.089 0.000 1.028 203 A CB -0.805 18.241 19.000 0.077 0.000 1.154 203 A HN 1.338 nan 8.150 nan 0.000 0.507 204 A N 1.905 124.750 122.820 0.041 0.000 1.917 204 A HA -0.179 4.142 4.320 0.001 0.000 0.219 204 A C 2.545 180.063 177.584 -0.111 0.000 1.182 204 A CA 2.476 54.544 52.037 0.052 0.000 0.633 204 A CB -0.891 18.190 19.000 0.136 0.000 0.819 204 A HN 1.605 nan 8.150 nan 0.000 0.448 205 S N -0.476 115.186 115.700 -0.064 0.000 2.419 205 S HA -0.239 4.231 4.470 0.001 0.000 0.235 205 S C 1.568 176.077 174.600 -0.153 0.000 1.019 205 S CA 1.607 59.752 58.200 -0.092 0.000 0.982 205 S CB -0.496 62.682 63.200 -0.036 0.000 0.789 205 S HN 0.719 nan 8.310 nan 0.000 0.490 206 Q N 0.185 119.898 119.800 -0.144 0.000 2.280 206 Q HA 0.339 4.679 4.340 0.001 0.000 0.201 206 Q C -0.157 175.707 176.000 -0.227 0.000 0.890 206 Q CA -0.295 55.420 55.803 -0.147 0.000 0.947 206 Q CB 0.135 28.826 28.738 -0.078 0.000 1.081 206 Q HN 0.487 nan 8.270 nan 0.000 0.502 207 R N 0.423 120.664 120.500 -0.430 0.000 3.758 207 R HA -0.203 4.138 4.340 0.001 0.000 0.299 207 R C -0.236 175.955 176.300 -0.182 0.000 1.182 207 R CA 0.576 56.275 56.100 -0.669 0.000 0.809 207 R CB -1.579 28.392 30.300 -0.548 0.000 1.249 207 R HN 0.335 nan 8.270 nan 0.000 0.497 208 D N -0.079 120.285 120.400 -0.060 0.000 2.203 208 D HA -0.143 4.498 4.640 0.001 0.000 0.199 208 D C 1.999 178.327 176.300 0.045 0.000 0.997 208 D CA 1.786 55.794 54.000 0.013 0.000 0.863 208 D CB -0.370 40.467 40.800 0.061 0.000 0.928 208 D HN 0.622 nan 8.370 nan 0.000 0.458 209 G N 0.492 109.390 108.800 0.162 0.000 2.475 209 G HA2 -0.316 3.645 3.960 0.001 0.000 0.220 209 G HA3 -0.316 3.645 3.960 0.001 0.000 0.220 209 G C 1.545 176.434 174.900 -0.018 0.000 1.125 209 G CA 0.827 45.986 45.100 0.098 0.000 0.755 209 G HN 0.327 nan 8.290 nan 0.000 0.565 210 E N -0.593 119.656 120.200 0.082 0.000 2.107 210 E HA -0.087 4.263 4.350 0.001 0.000 0.191 210 E C 2.440 179.004 176.600 -0.060 0.000 0.982 210 E CA 0.763 57.163 56.400 0.001 0.000 0.809 210 E CB -0.109 29.628 29.700 0.062 0.000 0.756 210 E HN 0.578 nan 8.360 nan 0.000 0.459 211 Q N 0.668 120.432 119.800 -0.061 0.000 2.123 211 Q HA -0.197 4.144 4.340 0.001 0.000 0.199 211 Q C 1.995 177.890 176.000 -0.174 0.000 0.966 211 Q CA 1.101 56.851 55.803 -0.089 0.000 0.845 211 Q CB 0.173 28.870 28.738 -0.068 0.000 0.907 211 Q HN 0.337 nan 8.270 nan 0.000 0.439 212 Q N -0.107 119.560 119.800 -0.222 0.000 2.050 212 Q HA -0.139 4.201 4.340 0.001 0.000 0.202 212 Q C 2.136 177.800 176.000 -0.559 0.000 0.980 212 Q CA 1.374 56.898 55.803 -0.465 0.000 0.840 212 Q CB -0.203 28.357 28.738 -0.297 0.000 0.898 212 Q HN 0.456 nan 8.270 nan 0.000 0.424 213 A N 1.305 123.960 122.820 -0.275 0.000 1.908 213 A HA -0.205 4.115 4.320 0.001 0.000 0.218 213 A C 2.315 179.924 177.584 0.041 0.000 1.181 213 A CA 1.813 53.782 52.037 -0.114 0.000 0.627 213 A CB -0.865 17.904 19.000 -0.385 0.000 0.818 213 A HN 0.420 nan 8.150 nan 0.000 0.445 214 A N -0.225 122.567 122.820 -0.047 0.000 1.902 214 A HA -0.075 4.246 4.320 0.001 0.000 0.217 214 A C 2.138 179.714 177.584 -0.014 0.000 1.181 214 A CA 1.557 53.591 52.037 -0.006 0.000 0.623 214 A CB -0.590 18.392 19.000 -0.030 0.000 0.818 214 A HN 0.503 nan 8.150 nan 0.000 0.443 215 I N -1.567 118.929 120.570 -0.123 0.000 2.202 215 I HA -0.220 3.951 4.170 0.001 0.000 0.242 215 I C 2.230 178.360 176.117 0.023 0.000 1.091 215 I CA 1.139 62.371 61.300 -0.114 0.000 1.368 215 I CB -0.394 37.466 38.000 -0.234 0.000 1.058 215 I HN 0.259 nan 8.210 nan 0.000 0.410 216 F N 1.319 121.320 119.950 0.083 0.000 2.095 216 F HA -0.207 4.321 4.527 0.001 0.000 0.298 216 F C 2.556 178.416 175.800 0.101 0.000 1.104 216 F CA 1.337 59.401 58.000 0.106 0.000 1.232 216 F CB -1.077 38.025 39.000 0.171 0.000 0.987 216 F HN 0.112 nan 8.300 nan 0.000 0.475 217 E N -0.242 120.145 120.200 0.311 0.000 2.150 217 E HA -0.166 4.184 4.350 0.001 0.000 0.193 217 E C 2.292 178.970 176.600 0.130 0.000 0.985 217 E CA 1.384 57.905 56.400 0.203 0.000 0.814 217 E CB -0.259 29.555 29.700 0.189 0.000 0.752 217 E HN 0.372 nan 8.360 nan 0.000 0.466 218 S N 0.769 116.535 115.700 0.111 0.000 2.442 218 S HA -0.124 4.347 4.470 0.001 0.000 0.236 218 S C 1.553 176.202 174.600 0.080 0.000 1.007 218 S CA 0.799 59.045 58.200 0.076 0.000 0.965 218 S CB 0.012 63.243 63.200 0.052 0.000 0.773 218 S HN 0.130 nan 8.310 nan 0.000 0.504 219 E N 0.537 120.805 120.200 0.113 0.000 2.479 219 E HA 0.216 4.567 4.350 0.001 0.000 0.193 219 E C 1.391 178.041 176.600 0.084 0.000 1.049 219 E CA 0.570 57.032 56.400 0.103 0.000 0.870 219 E CB 0.187 29.969 29.700 0.137 0.000 0.944 219 E HN 0.726 nan 8.360 nan 0.000 0.492 220 G N 1.682 110.532 108.800 0.084 0.000 2.157 220 G HA2 -0.263 3.698 3.960 0.001 0.000 0.239 220 G HA3 -0.263 3.698 3.960 0.001 0.000 0.239 220 G C 0.062 174.990 174.900 0.047 0.000 0.982 220 G CA 0.260 45.394 45.100 0.056 0.000 0.650 220 G HN 0.243 nan 8.290 nan 0.000 0.527 221 L N 2.110 123.377 121.223 0.072 0.000 2.367 221 L HA 0.704 5.044 4.340 0.001 0.000 0.275 221 L C 0.906 177.779 176.870 0.005 0.000 1.129 221 L CA 0.278 55.136 54.840 0.030 0.000 0.839 221 L CB 1.343 43.417 42.059 0.026 0.000 1.133 221 L HN 0.298 nan 8.230 nan 0.000 0.453 222 S N 6.004 121.676 115.700 -0.047 0.000 2.531 222 S HA 0.308 4.778 4.470 0.001 0.000 0.279 222 S C -1.555 172.935 174.600 -0.183 0.000 1.305 222 S CA -1.030 57.114 58.200 -0.093 0.000 1.058 222 S CB 0.771 63.924 63.200 -0.079 0.000 0.899 222 S HN 0.635 nan 8.310 nan 0.000 0.493 223 P HA -0.116 nan 4.420 nan 0.000 0.218 223 P C 1.395 178.434 177.300 -0.434 0.000 1.146 223 P CA 1.193 63.785 63.100 -0.848 0.000 0.813 223 P CB -0.154 30.669 31.700 -1.460 0.000 0.778 224 S N -1.708 113.854 115.700 -0.230 0.000 2.547 224 S HA -0.034 4.437 4.470 0.001 0.000 0.235 224 S C 1.569 176.182 174.600 0.022 0.000 0.980 224 S CA 0.548 58.700 58.200 -0.080 0.000 0.941 224 S CB -0.607 62.559 63.200 -0.057 0.000 0.763 224 S HN -0.030 nan 8.310 nan 0.000 0.532 225 R N 0.732 121.218 120.500 -0.023 0.000 2.393 225 R HA 0.453 4.794 4.340 0.001 0.000 0.244 225 R C -0.509 175.847 176.300 0.092 0.000 0.920 225 R CA -0.232 55.865 56.100 -0.006 0.000 1.076 225 R CB -0.044 30.192 30.300 -0.107 0.000 1.119 225 R HN 0.379 nan 8.270 nan 0.000 0.524 226 V N 0.024 120.033 119.914 0.158 0.000 2.656 226 V HA 0.328 4.449 4.120 0.001 0.000 0.307 226 V C -0.484 175.758 176.094 0.247 0.000 1.051 226 V CA -1.347 61.080 62.300 0.212 0.000 0.893 226 V CB 2.526 34.471 31.823 0.204 0.000 0.999 226 V HN 0.115 nan 8.190 nan 0.000 0.426 227 C N 6.800 126.211 119.300 0.185 0.000 2.301 227 C HA 0.597 5.058 4.460 0.001 0.000 0.323 227 C C -0.252 174.754 174.990 0.027 0.000 1.265 227 C CA -0.607 58.377 59.018 -0.058 0.000 1.503 227 C CB -0.468 27.032 27.740 -0.400 0.000 2.195 227 C HN 0.708 nan 8.230 nan 0.000 0.477 228 I N 6.769 127.338 120.570 -0.001 0.000 2.294 228 I HA 0.295 4.466 4.170 0.001 0.000 0.295 228 I C 1.209 177.272 176.117 -0.091 0.000 1.098 228 I CA 0.552 61.840 61.300 -0.020 0.000 1.277 228 I CB 0.014 37.971 38.000 -0.073 0.000 1.434 228 I HN 0.903 nan 8.210 nan 0.000 0.498 229 G N 4.467 113.186 108.800 -0.136 0.000 2.547 229 G HA2 0.320 4.281 3.960 0.001 0.000 0.291 229 G HA3 0.320 4.281 3.960 0.001 0.000 0.291 229 G C 0.267 174.956 174.900 -0.351 0.000 1.211 229 G CA -0.169 44.757 45.100 -0.291 0.000 0.950 229 G HN 0.760 nan 8.290 nan 0.000 0.504 230 H N -1.237 117.604 119.070 -0.382 0.000 2.958 230 H HA -0.158 4.399 4.556 0.001 0.000 0.274 230 H C 1.989 177.176 175.328 -0.235 0.000 1.184 230 H CA 0.445 56.175 56.048 -0.529 0.000 1.143 230 H CB -1.790 27.620 29.762 -0.588 0.000 1.297 230 H HN 0.337 nan 8.280 nan 0.000 0.356 231 S N 0.176 115.839 115.700 -0.062 0.000 2.474 231 S HA -0.103 4.368 4.470 0.001 0.000 0.235 231 S C 1.709 176.327 174.600 0.031 0.000 0.997 231 S CA 1.074 59.274 58.200 -0.001 0.000 0.949 231 S CB 0.035 63.202 63.200 -0.055 0.000 0.766 231 S HN 0.706 nan 8.310 nan 0.000 0.517 232 D N 0.600 121.010 120.400 0.017 0.000 2.349 232 D HA -0.050 4.591 4.640 0.001 0.000 0.224 232 D C 0.338 176.683 176.300 0.075 0.000 1.029 232 D CA 0.327 54.359 54.000 0.054 0.000 0.879 232 D CB -0.261 40.581 40.800 0.069 0.000 0.906 232 D HN 0.153 nan 8.370 nan 0.000 0.528 233 D N 0.255 120.700 120.400 0.075 0.000 2.371 233 D HA -0.025 4.616 4.640 0.001 0.000 0.221 233 D C 0.505 176.848 176.300 0.073 0.000 0.986 233 D CA 0.678 54.731 54.000 0.088 0.000 0.899 233 D CB 0.276 41.133 40.800 0.094 0.000 0.902 233 D HN 0.191 nan 8.370 nan 0.000 0.530 234 T N -0.841 113.763 114.554 0.083 0.000 2.932 234 T HA 0.188 4.539 4.350 0.001 0.000 0.289 234 T C 0.004 174.751 174.700 0.077 0.000 1.039 234 T CA -0.772 61.375 62.100 0.078 0.000 1.024 234 T CB 1.538 70.470 68.868 0.108 0.000 1.090 234 T HN -0.261 nan 8.240 nan 0.000 0.496 235 D N 1.249 121.686 120.400 0.061 0.000 2.369 235 D HA 0.091 4.732 4.640 0.001 0.000 0.211 235 D C -0.228 176.109 176.300 0.061 0.000 1.077 235 D CA 0.016 54.049 54.000 0.055 0.000 0.842 235 D CB 0.402 41.226 40.800 0.039 0.000 0.947 235 D HN 0.498 nan 8.370 nan 0.000 0.509 236 D N 1.474 121.921 120.400 0.079 0.000 2.435 236 D HA 0.004 4.645 4.640 0.001 0.000 0.230 236 D C 1.142 177.516 176.300 0.123 0.000 1.215 236 D CA -0.267 53.789 54.000 0.093 0.000 0.947 236 D CB 0.636 41.489 40.800 0.087 0.000 1.048 236 D HN -0.063 nan 8.370 nan 0.000 0.512 237 L N 3.311 124.582 121.223 0.081 0.000 2.275 237 L HA -0.119 4.222 4.340 0.001 0.000 0.215 237 L C 2.227 179.127 176.870 0.050 0.000 1.119 237 L CA 1.378 56.253 54.840 0.059 0.000 0.790 237 L CB -0.297 41.793 42.059 0.051 0.000 0.919 237 L HN 0.449 nan 8.230 nan 0.000 0.443 238 S N -1.665 114.079 115.700 0.073 0.000 2.406 238 S HA -0.254 4.216 4.470 0.001 0.000 0.228 238 S C 2.114 176.764 174.600 0.084 0.000 1.020 238 S CA 0.971 59.210 58.200 0.065 0.000 0.965 238 S CB -0.866 62.373 63.200 0.064 0.000 0.798 238 S HN 0.585 nan 8.310 nan 0.000 0.488 239 Y N 2.404 122.691 120.300 -0.022 0.000 2.220 239 Y HA 0.169 4.720 4.550 0.001 0.000 0.291 239 Y C 1.832 177.700 175.900 -0.054 0.000 1.129 239 Y CA 1.006 59.086 58.100 -0.035 0.000 1.161 239 Y CB -0.528 37.913 38.460 -0.031 0.000 0.997 239 Y HN 0.226 nan 8.280 nan 0.000 0.522 240 L N 0.018 121.087 121.223 -0.257 0.000 2.017 240 L HA -0.205 4.135 4.340 0.001 0.000 0.208 240 L C 2.651 179.330 176.870 -0.318 0.000 1.073 240 L CA 2.120 56.734 54.840 -0.376 0.000 0.745 240 L CB -1.306 40.643 42.059 -0.182 0.000 0.894 240 L HN 0.375 nan 8.230 nan 0.000 0.432 241 T N -2.378 112.051 114.554 -0.209 0.000 2.833 241 T HA -0.103 4.248 4.350 0.001 0.000 0.269 241 T C 1.922 176.455 174.700 -0.278 0.000 1.054 241 T CA 0.911 62.846 62.100 -0.275 0.000 1.135 241 T CB -0.348 68.483 68.868 -0.062 0.000 0.869 241 T HN 0.315 nan 8.240 nan 0.000 0.466 242 A N 1.564 124.288 122.820 -0.161 0.000 1.930 242 A HA 0.193 4.513 4.320 0.001 0.000 0.217 242 A C 2.420 179.930 177.584 -0.122 0.000 1.175 242 A CA 1.188 53.166 52.037 -0.099 0.000 0.627 242 A CB -0.803 18.179 19.000 -0.030 0.000 0.815 242 A HN 0.542 nan 8.150 nan 0.000 0.443 243 L N -0.948 120.150 121.223 -0.208 0.000 2.072 243 L HA -0.123 4.218 4.340 0.001 0.000 0.205 243 L C 3.110 179.926 176.870 -0.089 0.000 1.079 243 L CA 0.913 55.664 54.840 -0.148 0.000 0.752 243 L CB -0.577 41.294 42.059 -0.313 0.000 0.906 243 L HN 0.416 nan 8.230 nan 0.000 0.436 244 A N 0.304 122.944 122.820 -0.301 0.000 1.908 244 A HA -0.232 4.088 4.320 0.001 0.000 0.218 244 A C 2.492 179.875 177.584 -0.335 0.000 1.181 244 A CA 1.897 53.680 52.037 -0.423 0.000 0.627 244 A CB -0.747 17.690 19.000 -0.940 0.000 0.818 244 A HN 0.413 nan 8.150 nan 0.000 0.445 245 A N -0.531 122.093 122.820 -0.326 0.000 2.019 245 A HA -0.123 4.198 4.320 0.001 0.000 0.219 245 A C 2.148 179.753 177.584 0.035 0.000 1.164 245 A CA 1.408 53.428 52.037 -0.027 0.000 0.644 245 A CB -0.387 18.636 19.000 0.038 0.000 0.805 245 A HN 0.566 nan 8.150 nan 0.000 0.449 246 R N -1.736 118.789 120.500 0.041 0.000 2.275 246 R HA 0.175 4.516 4.340 0.001 0.000 0.199 246 R C 1.322 177.608 176.300 -0.023 0.000 0.989 246 R CA 0.627 56.776 56.100 0.081 0.000 1.016 246 R CB -0.007 30.434 30.300 0.235 0.000 0.918 246 R HN 0.673 nan 8.270 nan 0.000 0.473 247 G N -0.888 107.891 108.800 -0.036 0.000 2.184 247 G HA2 -0.251 3.709 3.960 0.001 0.000 0.206 247 G HA3 -0.251 3.709 3.960 0.001 0.000 0.206 247 G C -0.246 174.543 174.900 -0.185 0.000 0.995 247 G CA -0.626 44.404 45.100 -0.117 0.000 0.651 247 G HN 0.185 nan 8.290 nan 0.000 0.511 248 Y N -0.086 120.188 120.300 -0.043 0.000 2.326 248 Y HA 0.595 5.146 4.550 0.001 0.000 0.333 248 Y C 1.134 176.981 175.900 -0.089 0.000 1.240 248 Y CA -0.404 57.667 58.100 -0.048 0.000 1.365 248 Y CB 0.591 39.020 38.460 -0.051 0.000 1.289 248 Y HN 0.123 nan 8.280 nan 0.000 0.548 249 L N 3.559 124.814 121.223 0.054 0.000 2.334 249 L HA 0.281 4.622 4.340 0.001 0.000 0.277 249 L C -0.667 176.144 176.870 -0.099 0.000 1.075 249 L CA -0.124 54.662 54.840 -0.090 0.000 0.804 249 L CB 0.569 42.460 42.059 -0.279 0.000 1.174 249 L HN 0.375 nan 8.230 nan 0.000 0.438 250 I N 2.416 122.912 120.570 -0.123 0.000 2.330 250 I HA 0.345 4.516 4.170 0.001 0.000 0.289 250 I C 0.636 176.675 176.117 -0.130 0.000 1.001 250 I CA -0.348 60.876 61.300 -0.127 0.000 1.193 250 I CB 0.999 38.922 38.000 -0.127 0.000 1.345 250 I HN 0.601 nan 8.210 nan 0.000 0.461 251 G N 7.275 115.992 108.800 -0.137 0.000 2.329 251 G HA2 0.567 4.528 3.960 0.001 0.000 0.309 251 G HA3 0.567 4.528 3.960 0.001 0.000 0.309 251 G C -0.280 174.559 174.900 -0.102 0.000 1.110 251 G CA -0.442 44.580 45.100 -0.129 0.000 0.923 251 G HN 0.543 nan 8.290 nan 0.000 0.430 252 L N 3.187 124.376 121.223 -0.055 0.000 2.407 252 L HA 0.283 4.623 4.340 0.001 0.000 0.261 252 L C -0.014 176.860 176.870 0.006 0.000 1.108 252 L CA -0.604 54.228 54.840 -0.014 0.000 0.995 252 L CB 0.804 42.879 42.059 0.027 0.000 1.349 252 L HN 0.709 nan 8.230 nan 0.000 0.423 253 D N -2.462 117.907 120.400 -0.051 0.000 2.479 253 D HA -0.006 4.635 4.640 0.001 0.000 0.218 253 D C 0.909 177.205 176.300 -0.006 0.000 1.177 253 D CA -0.010 53.965 54.000 -0.042 0.000 0.830 253 D CB 0.107 40.808 40.800 -0.165 0.000 1.014 253 D HN 0.418 nan 8.370 nan 0.000 0.503 254 H N 0.403 119.384 119.070 -0.148 0.000 2.512 254 H HA 0.214 4.771 4.556 0.001 0.000 0.276 254 H C 1.205 176.488 175.328 -0.075 0.000 1.126 254 H CA -0.490 55.325 56.048 -0.388 0.000 1.060 254 H CB 0.728 30.219 29.762 -0.452 0.000 1.646 254 H HN -0.020 nan 8.280 nan 0.000 0.571 255 I N 1.664 122.336 120.570 0.170 0.000 2.091 255 I HA -0.227 3.944 4.170 0.001 0.000 0.240 255 I C -0.723 175.478 176.117 0.141 0.000 1.046 255 I CA 1.479 62.913 61.300 0.223 0.000 1.306 255 I CB -2.257 35.936 38.000 0.322 0.000 1.018 255 I HN 0.277 nan 8.210 nan 0.000 0.404 256 P HA -0.054 nan 4.420 nan 0.000 0.245 256 P C 0.234 177.427 177.300 -0.179 0.000 1.212 256 P CA 0.743 63.421 63.100 -0.704 0.000 0.774 256 P CB -0.510 30.378 31.700 -1.355 0.000 0.999 257 H N 0.360 119.369 119.070 -0.102 0.000 3.015 257 H HA 0.367 4.924 4.556 0.001 0.000 0.268 257 H C 0.025 175.340 175.328 -0.021 0.000 1.113 257 H CA 0.118 56.129 56.048 -0.061 0.000 1.479 257 H CB 0.455 30.096 29.762 -0.201 0.000 1.493 257 H HN -0.001 nan 8.280 nan 0.000 0.486 258 S N 2.098 117.833 115.700 0.057 0.000 2.592 258 S HA 0.396 4.867 4.470 0.001 0.000 0.275 258 S C -0.016 174.611 174.600 0.043 0.000 1.169 258 S CA -0.377 57.864 58.200 0.068 0.000 0.958 258 S CB 1.069 64.335 63.200 0.110 0.000 1.095 258 S HN 0.696 nan 8.310 nan 0.000 0.471 259 A N 4.907 127.750 122.820 0.039 0.000 2.379 259 A HA 0.432 4.752 4.320 0.001 0.000 0.236 259 A C 0.575 178.181 177.584 0.037 0.000 1.272 259 A CA -0.262 51.794 52.037 0.033 0.000 0.886 259 A CB -0.405 18.613 19.000 0.029 0.000 0.962 259 A HN 0.817 nan 8.150 nan 0.000 0.504 260 I N 0.812 121.409 120.570 0.044 0.000 2.752 260 I HA 0.083 4.253 4.170 0.001 0.000 0.286 260 I C 1.504 177.646 176.117 0.042 0.000 1.180 260 I CA 1.672 62.997 61.300 0.042 0.000 1.404 260 I CB 0.211 38.239 38.000 0.046 0.000 1.389 260 I HN 0.541 nan 8.210 nan 0.000 0.549 261 G N 5.257 114.077 108.800 0.033 0.000 2.176 261 G HA2 -0.235 3.725 3.960 0.001 0.000 0.232 261 G HA3 -0.235 3.725 3.960 0.001 0.000 0.232 261 G C 0.503 175.420 174.900 0.029 0.000 0.986 261 G CA -0.174 44.945 45.100 0.032 0.000 0.643 261 G HN 0.561 nan 8.290 nan 0.000 0.522 262 L N -0.003 121.237 121.223 0.028 0.000 2.966 262 L HA 0.241 4.582 4.340 0.001 0.000 0.262 262 L C 1.946 178.829 176.870 0.023 0.000 1.165 262 L CA 0.373 55.229 54.840 0.026 0.000 0.978 262 L CB 0.319 42.396 42.059 0.029 0.000 1.337 262 L HN 0.172 nan 8.230 nan 0.000 0.563 263 E N 0.696 120.910 120.200 0.022 0.000 2.370 263 E HA -0.260 4.091 4.350 0.001 0.000 0.205 263 E C 1.053 177.663 176.600 0.016 0.000 1.037 263 E CA 1.598 58.010 56.400 0.019 0.000 0.845 263 E CB -0.139 29.572 29.700 0.017 0.000 0.753 263 E HN 0.520 nan 8.360 nan 0.000 0.507 264 D N -0.279 120.130 120.400 0.015 0.000 2.349 264 D HA -0.068 4.573 4.640 0.001 0.000 0.224 264 D C 0.219 176.524 176.300 0.009 0.000 1.029 264 D CA 0.271 54.277 54.000 0.011 0.000 0.879 264 D CB -0.162 40.643 40.800 0.009 0.000 0.906 264 D HN 0.011 nan 8.370 nan 0.000 0.528 265 N N 0.621 119.329 118.700 0.014 0.000 2.564 265 N HA 0.296 5.037 4.740 0.001 0.000 0.248 265 N C 0.723 176.245 175.510 0.021 0.000 0.986 265 N CA -0.303 52.755 53.050 0.014 0.000 0.921 265 N CB 1.578 40.076 38.487 0.019 0.000 1.136 265 N HN -0.114 nan 8.380 nan 0.000 0.509 266 A N 2.831 125.658 122.820 0.013 0.000 1.903 266 A HA -0.235 4.086 4.320 0.001 0.000 0.219 266 A C 2.108 179.715 177.584 0.038 0.000 1.191 266 A CA 2.608 54.654 52.037 0.017 0.000 0.638 266 A CB -0.797 18.203 19.000 0.001 0.000 0.823 266 A HN 0.755 nan 8.150 nan 0.000 0.451 267 S N -0.033 115.688 115.700 0.035 0.000 2.368 267 S HA 0.094 4.564 4.470 0.001 0.000 0.224 267 S C 2.145 176.858 174.600 0.189 0.000 1.029 267 S CA 1.357 59.613 58.200 0.093 0.000 0.988 267 S CB -0.781 62.397 63.200 -0.036 0.000 0.838 267 S HN 0.964 nan 8.310 nan 0.000 0.462 268 A N 2.616 125.503 122.820 0.113 0.000 1.877 268 A HA -0.047 4.273 4.320 0.001 0.000 0.216 268 A C 2.580 180.201 177.584 0.061 0.000 1.186 268 A CA 2.277 54.367 52.037 0.088 0.000 0.620 268 A CB -1.410 17.621 19.000 0.052 0.000 0.822 268 A HN 0.841 nan 8.150 nan 0.000 0.443 269 S N 0.224 115.956 115.700 0.053 0.000 2.382 269 S HA 0.021 4.492 4.470 0.001 0.000 0.228 269 S C 2.078 176.706 174.600 0.046 0.000 1.027 269 S CA 1.388 59.613 58.200 0.041 0.000 0.991 269 S CB -0.677 62.543 63.200 0.033 0.000 0.823 269 S HN 0.908 nan 8.310 nan 0.000 0.469 270 A N 1.639 124.500 122.820 0.068 0.000 1.898 270 A HA 0.142 4.463 4.320 0.001 0.000 0.216 270 A C 2.256 179.881 177.584 0.068 0.000 1.181 270 A CA 1.494 53.577 52.037 0.077 0.000 0.620 270 A CB -0.778 18.291 19.000 0.115 0.000 0.819 270 A HN 0.558 nan 8.150 nan 0.000 0.442 271 L N -0.682 120.579 121.223 0.063 0.000 2.049 271 L HA 0.052 4.393 4.340 0.001 0.000 0.203 271 L C 2.188 179.042 176.870 -0.026 0.000 1.074 271 L CA 1.575 56.397 54.840 -0.029 0.000 0.749 271 L CB -0.264 41.676 42.059 -0.198 0.000 0.907 271 L HN 0.346 nan 8.230 nan 0.000 0.439 272 L N -0.440 120.775 121.223 -0.014 0.000 2.270 272 L HA 0.330 4.670 4.340 0.001 0.000 0.210 272 L C 1.213 178.097 176.870 0.023 0.000 1.104 272 L CA 0.303 55.140 54.840 -0.006 0.000 0.804 272 L CB -0.977 41.065 42.059 -0.027 0.000 0.937 272 L HN 0.520 nan 8.230 nan 0.000 0.450 273 G N 1.081 109.897 108.800 0.026 0.000 2.710 273 G HA2 -0.227 3.734 3.960 0.001 0.000 0.668 273 G HA3 -0.227 3.734 3.960 0.001 0.000 0.668 273 G C -0.218 174.704 174.900 0.036 0.000 1.320 273 G CA -0.177 44.943 45.100 0.033 0.000 0.860 273 G HN 0.280 nan 8.290 nan 0.000 0.538 274 I N -2.509 118.082 120.570 0.034 0.000 3.817 274 I HA 0.486 4.657 4.170 0.001 0.000 0.325 274 I C 0.792 176.927 176.117 0.029 0.000 1.550 274 I CA -0.739 60.580 61.300 0.031 0.000 1.100 274 I CB 0.400 38.414 38.000 0.024 0.000 1.216 274 I HN 0.437 nan 8.210 nan 0.000 0.481 275 R N 1.679 122.201 120.500 0.037 0.000 2.457 275 R HA 0.588 4.929 4.340 0.001 0.000 0.284 275 R C 0.353 176.676 176.300 0.038 0.000 1.024 275 R CA -0.343 55.776 56.100 0.032 0.000 1.025 275 R CB 1.448 31.770 30.300 0.038 0.000 1.063 275 R HN 0.480 nan 8.270 nan 0.000 0.493 276 S N 2.392 118.092 115.700 0.000 0.000 2.603 276 S HA 0.046 4.517 4.470 0.001 0.000 0.268 276 S C 1.444 176.043 174.600 -0.002 0.000 1.317 276 S CA -0.970 57.213 58.200 -0.029 0.000 1.012 276 S CB 0.562 63.671 63.200 -0.152 0.000 0.926 276 S HN 0.920 nan 8.310 nan 0.000 0.539 277 W N 1.698 122.996 121.300 -0.004 0.000 2.374 277 W HA -0.171 4.490 4.660 0.002 0.000 0.288 277 W C 1.016 177.499 176.519 -0.059 0.000 1.218 277 W CA 1.144 58.496 57.345 0.012 0.000 1.245 277 W CB -1.155 28.364 29.460 0.099 0.000 1.126 277 W HN 0.666 nan 8.180 nan 0.000 0.545 278 Q N 1.226 120.419 119.800 -1.013 0.000 2.124 278 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 278 Q C 2.342 178.155 176.000 -0.312 0.000 0.977 278 Q CA 3.307 58.487 55.803 -1.039 0.000 0.850 278 Q CB -1.022 27.115 28.738 -1.002 0.000 0.901 278 Q HN 0.175 nan 8.270 nan 0.000 0.429 279 T N 0.383 114.833 114.554 -0.172 0.000 2.708 279 T HA -0.121 4.230 4.350 0.001 0.000 0.266 279 T C 1.668 176.391 174.700 0.038 0.000 1.037 279 T CA 1.405 63.486 62.100 -0.031 0.000 1.146 279 T CB -0.123 68.734 68.868 -0.018 0.000 0.865 279 T HN 0.251 nan 8.240 nan 0.000 0.435 280 R N 1.277 121.817 120.500 0.067 0.000 2.073 280 R HA 0.046 4.386 4.340 0.001 0.000 0.234 280 R C 2.822 179.214 176.300 0.153 0.000 1.134 280 R CA 1.324 57.497 56.100 0.120 0.000 0.952 280 R CB -0.568 29.826 30.300 0.157 0.000 0.850 280 R HN 0.333 nan 8.270 nan 0.000 0.433 281 A N 1.396 124.333 122.820 0.196 0.000 1.940 281 A HA -0.131 4.190 4.320 0.001 0.000 0.219 281 A C 2.161 179.904 177.584 0.265 0.000 1.176 281 A CA 1.245 53.442 52.037 0.267 0.000 0.631 281 A CB -0.583 18.628 19.000 0.351 0.000 0.814 281 A HN 0.207 nan 8.150 nan 0.000 0.446 282 L N -0.679 120.685 121.223 0.236 0.000 2.362 282 L HA -0.122 4.219 4.340 0.001 0.000 0.219 282 L C 2.282 179.227 176.870 0.124 0.000 1.134 282 L CA 0.449 55.405 54.840 0.195 0.000 0.807 282 L CB -0.413 41.739 42.059 0.156 0.000 0.927 282 L HN 0.385 nan 8.230 nan 0.000 0.447 283 L N -0.515 120.776 121.223 0.113 0.000 2.141 283 L HA -0.209 4.132 4.340 0.001 0.000 0.209 283 L C 2.393 179.313 176.870 0.084 0.000 1.094 283 L CA 1.158 56.049 54.840 0.085 0.000 0.763 283 L CB -0.298 41.807 42.059 0.075 0.000 0.908 283 L HN 0.236 nan 8.230 nan 0.000 0.437 284 I N 0.052 120.685 120.570 0.105 0.000 2.179 284 I HA -0.337 3.834 4.170 0.001 0.000 0.242 284 I C 2.670 178.834 176.117 0.079 0.000 1.088 284 I CA 1.484 62.838 61.300 0.091 0.000 1.357 284 I CB -0.343 37.725 38.000 0.113 0.000 1.051 284 I HN 0.217 nan 8.210 nan 0.000 0.409 285 K N 1.575 122.028 120.400 0.087 0.000 2.103 285 K HA -0.196 4.124 4.320 0.001 0.000 0.207 285 K C 2.190 178.819 176.600 0.048 0.000 1.048 285 K CA 1.539 57.859 56.287 0.055 0.000 0.930 285 K CB -0.170 32.355 32.500 0.042 0.000 0.716 285 K HN 0.287 nan 8.250 nan 0.000 0.444 286 A N 1.292 124.147 122.820 0.059 0.000 1.908 286 A HA -0.142 4.179 4.320 0.001 0.000 0.218 286 A C 2.124 179.752 177.584 0.073 0.000 1.181 286 A CA 1.583 53.654 52.037 0.058 0.000 0.627 286 A CB -0.669 18.366 19.000 0.059 0.000 0.818 286 A HN 0.359 nan 8.150 nan 0.000 0.445 287 L N -0.852 120.422 121.223 0.085 0.000 2.156 287 L HA -0.104 4.236 4.340 0.001 0.000 0.208 287 L C 2.406 179.352 176.870 0.126 0.000 1.095 287 L CA 0.755 55.676 54.840 0.135 0.000 0.770 287 L CB -0.403 41.724 42.059 0.113 0.000 0.914 287 L HN 0.373 nan 8.230 nan 0.000 0.439 288 I N -0.108 120.503 120.570 0.068 0.000 2.202 288 I HA -0.287 3.884 4.170 0.001 0.000 0.242 288 I C 1.957 178.075 176.117 0.001 0.000 1.091 288 I CA 1.222 62.540 61.300 0.030 0.000 1.368 288 I CB -0.315 37.696 38.000 0.018 0.000 1.058 288 I HN 0.241 nan 8.210 nan 0.000 0.410 289 D N 0.304 120.711 120.400 0.012 0.000 2.265 289 D HA -0.221 4.419 4.640 0.001 0.000 0.208 289 D C 1.864 178.153 176.300 -0.019 0.000 0.977 289 D CA 1.132 55.129 54.000 -0.005 0.000 0.871 289 D CB -0.177 40.626 40.800 0.005 0.000 0.925 289 D HN 0.441 nan 8.370 nan 0.000 0.485 290 Q N -1.043 118.758 119.800 0.001 0.000 2.280 290 Q HA 0.262 4.603 4.340 0.001 0.000 0.201 290 Q C 0.739 176.552 176.000 -0.312 0.000 0.890 290 Q CA 0.241 56.022 55.803 -0.036 0.000 0.947 290 Q CB 0.744 29.573 28.738 0.152 0.000 1.081 290 Q HN 0.267 nan 8.270 nan 0.000 0.502 291 G N 0.245 108.872 108.800 -0.289 0.000 2.132 291 G HA2 -0.268 3.693 3.960 0.001 0.000 0.228 291 G HA3 -0.268 3.693 3.960 0.001 0.000 0.228 291 G C -0.224 174.364 174.900 -0.520 0.000 1.000 291 G CA -0.107 44.751 45.100 -0.404 0.000 0.693 291 G HN 0.400 nan 8.290 nan 0.000 0.515 292 Y N 0.036 120.327 120.300 -0.014 0.000 2.751 292 Y HA 0.366 4.917 4.550 0.001 0.000 0.289 292 Y C 2.379 178.265 175.900 -0.023 0.000 1.110 292 Y CA 0.204 58.293 58.100 -0.019 0.000 1.251 292 Y CB -0.391 38.057 38.460 -0.020 0.000 1.178 292 Y HN 0.475 nan 8.280 nan 0.000 0.540 293 M N -1.124 118.506 119.600 0.051 0.000 2.202 293 M HA -0.176 4.305 4.480 0.001 0.000 0.262 293 M C 1.364 177.679 176.300 0.025 0.000 1.063 293 M CA 1.910 57.228 55.300 0.030 0.000 1.097 293 M CB -0.345 32.253 32.600 -0.003 0.000 1.382 293 M HN -0.017 nan 8.290 nan 0.000 0.413 294 K N 0.320 120.737 120.400 0.029 0.000 2.504 294 K HA -0.002 4.318 4.320 0.001 0.000 0.195 294 K C 1.287 177.899 176.600 0.020 0.000 1.036 294 K CA 0.576 56.874 56.287 0.018 0.000 0.984 294 K CB 0.048 32.558 32.500 0.017 0.000 0.788 294 K HN 0.571 nan 8.250 nan 0.000 0.488 295 Q N 0.013 119.839 119.800 0.044 0.000 2.219 295 Q HA 0.212 4.553 4.340 0.001 0.000 0.209 295 Q C 0.150 176.130 176.000 -0.034 0.000 0.854 295 Q CA 0.148 55.957 55.803 0.011 0.000 0.960 295 Q CB 0.741 29.505 28.738 0.044 0.000 1.116 295 Q HN 0.278 nan 8.270 nan 0.000 0.500 296 I N 1.466 122.022 120.570 -0.023 0.000 2.428 296 I HA 0.304 4.475 4.170 0.001 0.000 0.296 296 I C -0.363 175.710 176.117 -0.073 0.000 0.985 296 I CA -0.545 60.730 61.300 -0.041 0.000 1.260 296 I CB 1.186 39.183 38.000 -0.005 0.000 1.389 296 I HN -0.133 nan 8.210 nan 0.000 0.484 297 L N 6.823 127.989 121.223 -0.094 0.000 2.409 297 L HA 0.627 4.967 4.340 0.001 0.000 0.272 297 L C -0.702 176.143 176.870 -0.043 0.000 0.980 297 L CA -0.943 53.838 54.840 -0.098 0.000 0.826 297 L CB 2.044 43.986 42.059 -0.195 0.000 1.268 297 L HN 0.379 nan 8.230 nan 0.000 0.407 298 V N -0.336 119.580 119.914 0.003 0.000 2.769 298 V HA 0.921 5.042 4.120 0.001 0.000 0.312 298 V C -0.418 175.737 176.094 0.101 0.000 1.061 298 V CA -0.125 62.207 62.300 0.052 0.000 0.931 298 V CB 1.944 33.811 31.823 0.073 0.000 1.010 298 V HN 0.788 nan 8.190 nan 0.000 0.433 299 S N 1.591 117.362 115.700 0.119 0.000 2.672 299 S HA 0.523 4.994 4.470 0.001 0.000 0.271 299 S C 0.022 174.726 174.600 0.173 0.000 1.171 299 S CA -0.410 57.885 58.200 0.157 0.000 0.817 299 S CB 2.049 65.347 63.200 0.162 0.000 1.150 299 S HN 0.915 nan 8.310 nan 0.000 0.478 300 N N 0.791 119.616 118.700 0.208 0.000 2.348 300 N HA 0.083 4.824 4.740 0.001 0.000 0.183 300 N C -0.665 175.084 175.510 0.398 0.000 1.094 300 N CA 0.317 53.517 53.050 0.249 0.000 0.885 300 N CB 0.061 38.665 38.487 0.195 0.000 1.065 300 N HN 0.740 nan 8.380 nan 0.000 0.472 301 D N 0.031 120.647 120.400 0.359 0.000 2.723 301 D HA -0.179 4.462 4.640 0.001 0.000 0.236 301 D C -0.506 176.083 176.300 0.482 0.000 1.138 301 D CA 0.362 54.624 54.000 0.438 0.000 0.676 301 D CB -1.180 39.812 40.800 0.320 0.000 1.069 301 D HN 0.375 nan 8.370 nan 0.000 0.430 302 W N -0.580 120.772 121.300 0.087 0.000 2.225 302 W HA 0.538 5.198 4.660 0.001 0.000 0.377 302 W C 0.082 176.467 176.519 -0.223 0.000 1.418 302 W CA -0.587 56.697 57.345 -0.103 0.000 1.562 302 W CB 0.649 30.001 29.460 -0.181 0.000 1.297 302 W HN 0.063 nan 8.180 nan 0.000 0.686 303 L N -1.061 119.672 121.223 -0.818 0.000 2.892 303 L HA 0.419 4.760 4.340 0.001 0.000 0.269 303 L C -0.762 175.524 176.870 -0.973 0.000 1.058 303 L CA -0.818 53.561 54.840 -0.768 0.000 0.923 303 L CB 0.343 42.066 42.059 -0.560 0.000 1.518 303 L HN 0.320 nan 8.230 nan 0.000 0.402 304 F N -0.616 119.289 119.950 -0.075 0.000 2.746 304 F HA 0.749 5.277 4.527 0.002 0.000 0.313 304 F C 1.073 176.887 175.800 0.023 0.000 1.095 304 F CA -0.121 57.877 58.000 -0.004 0.000 1.224 304 F CB 1.119 40.133 39.000 0.022 0.000 1.060 304 F HN 0.734 nan 8.300 nan 0.000 0.584 305 G N -0.266 108.610 108.800 0.127 0.000 2.706 305 G HA2 0.511 4.471 3.960 0.001 0.000 0.297 305 G HA3 0.511 4.471 3.960 0.001 0.000 0.297 305 G C -2.176 172.930 174.900 0.342 0.000 1.403 305 G CA -0.428 44.840 45.100 0.279 0.000 0.954 305 G HN -0.169 nan 8.290 nan 0.000 0.500 306 F N 2.510 122.655 119.950 0.325 0.000 3.287 306 F HA 0.386 4.914 4.527 0.001 0.000 0.379 306 F C 0.743 176.663 175.800 0.200 0.000 1.268 306 F CA -1.535 56.551 58.000 0.142 0.000 1.220 306 F CB 1.470 40.460 39.000 -0.018 0.000 1.687 306 F HN 0.495 nan 8.300 nan 0.000 0.648 307 S N 0.805 116.730 115.700 0.375 0.000 2.517 307 S HA 0.005 4.476 4.470 0.001 0.000 0.214 307 S C 1.125 175.531 174.600 -0.323 0.000 0.991 307 S CA 0.614 58.672 58.200 -0.236 0.000 0.906 307 S CB -0.261 62.365 63.200 -0.957 0.000 0.789 307 S HN 0.495 nan 8.310 nan 0.000 0.513 308 S N 0.306 116.008 115.700 0.004 0.000 2.768 308 S HA 0.403 4.874 4.470 0.001 0.000 0.246 308 S C -0.369 174.288 174.600 0.094 0.000 1.006 308 S CA -0.592 57.638 58.200 0.050 0.000 1.075 308 S CB -0.812 62.522 63.200 0.223 0.000 0.786 308 S HN 0.589 nan 8.310 nan 0.000 0.468 309 Y N 0.177 120.249 120.300 -0.379 0.000 2.967 309 Y HA 0.498 5.049 4.550 0.001 0.000 0.311 309 Y C -0.454 175.248 175.900 -0.329 0.000 1.555 309 Y CA -1.616 56.223 58.100 -0.435 0.000 1.084 309 Y CB 0.796 38.719 38.460 -0.895 0.000 1.508 309 Y HN 0.154 nan 8.280 nan 0.000 0.457 310 V N 0.732 120.230 119.914 -0.694 0.000 2.999 310 V HA 0.289 4.410 4.120 0.001 0.000 0.307 310 V C 0.027 175.995 176.094 -0.209 0.000 1.084 310 V CA -0.336 61.698 62.300 -0.443 0.000 1.155 310 V CB -0.019 31.506 31.823 -0.497 0.000 0.975 310 V HN 0.723 nan 8.190 nan 0.000 0.490 311 T N 4.700 119.178 114.554 -0.126 0.000 2.928 311 T HA 0.187 4.537 4.350 0.001 0.000 0.305 311 T C 0.894 175.525 174.700 -0.115 0.000 1.035 311 T CA 1.119 63.170 62.100 -0.081 0.000 1.145 311 T CB -0.448 68.378 68.868 -0.070 0.000 0.963 311 T HN 1.105 nan 8.240 nan 0.000 0.545 312 N N -0.334 118.285 118.700 -0.136 0.000 2.878 312 N HA -0.186 4.555 4.740 0.001 0.000 0.247 312 N C 0.776 176.251 175.510 -0.058 0.000 1.021 312 N CA 0.357 53.346 53.050 -0.103 0.000 0.873 312 N CB -1.101 37.330 38.487 -0.094 0.000 1.128 312 N HN 0.521 nan 8.380 nan 0.000 0.571 313 I N 0.718 121.252 120.570 -0.061 0.000 2.264 313 I HA -0.176 3.995 4.170 0.001 0.000 0.248 313 I C 2.075 178.199 176.117 0.013 0.000 1.111 313 I CA 1.587 62.873 61.300 -0.022 0.000 1.382 313 I CB -0.162 37.795 38.000 -0.073 0.000 1.060 313 I HN 0.315 nan 8.210 nan 0.000 0.418 314 M N -0.434 119.185 119.600 0.030 0.000 2.149 314 M HA -0.255 4.226 4.480 0.001 0.000 0.261 314 M C 1.802 178.131 176.300 0.047 0.000 1.064 314 M CA 1.931 57.263 55.300 0.054 0.000 1.102 314 M CB -1.082 31.575 32.600 0.095 0.000 1.369 314 M HN 0.267 nan 8.290 nan 0.000 0.408 315 D N -0.130 120.287 120.400 0.029 0.000 2.116 315 D HA -0.162 4.478 4.640 0.001 0.000 0.193 315 D C 1.979 178.306 176.300 0.045 0.000 0.998 315 D CA 1.337 55.357 54.000 0.033 0.000 0.836 315 D CB -0.032 40.772 40.800 0.006 0.000 0.951 315 D HN 0.114 nan 8.370 nan 0.000 0.449 316 V N 0.261 120.195 119.914 0.034 0.000 2.343 316 V HA -0.255 3.866 4.120 0.001 0.000 0.247 316 V C 2.256 178.388 176.094 0.063 0.000 1.051 316 V CA 1.435 63.759 62.300 0.039 0.000 1.036 316 V CB -0.391 31.450 31.823 0.029 0.000 0.654 316 V HN 0.274 nan 8.190 nan 0.000 0.451 317 M N -0.285 119.348 119.600 0.055 0.000 2.132 317 M HA -0.169 4.311 4.480 0.001 0.000 0.263 317 M C 1.915 178.398 176.300 0.305 0.000 1.065 317 M CA 1.701 57.064 55.300 0.105 0.000 1.122 317 M CB -0.568 31.916 32.600 -0.193 0.000 1.365 317 M HN 0.307 nan 8.290 nan 0.000 0.411 318 D N -0.284 120.254 120.400 0.230 0.000 2.263 318 D HA -0.146 4.495 4.640 0.001 0.000 0.208 318 D C 1.924 178.316 176.300 0.155 0.000 0.971 318 D CA 1.027 55.179 54.000 0.253 0.000 0.867 318 D CB -0.281 40.638 40.800 0.198 0.000 0.929 318 D HN 0.371 nan 8.370 nan 0.000 0.492 319 R N 0.360 120.928 120.500 0.114 0.000 2.100 319 R HA -0.001 4.340 4.340 0.001 0.000 0.220 319 R C 1.966 178.303 176.300 0.061 0.000 1.091 319 R CA 0.486 56.629 56.100 0.072 0.000 0.986 319 R CB -0.043 30.291 30.300 0.056 0.000 0.888 319 R HN -0.078 nan 8.270 nan 0.000 0.444 320 V N 1.093 121.055 119.914 0.080 0.000 2.358 320 V HA -0.126 3.995 4.120 0.001 0.000 0.246 320 V C 0.543 176.623 176.094 -0.024 0.000 1.047 320 V CA 1.628 63.958 62.300 0.049 0.000 1.035 320 V CB -0.473 31.394 31.823 0.073 0.000 0.658 320 V HN 0.424 nan 8.190 nan 0.000 0.452 321 N N -0.385 118.291 118.700 -0.041 0.000 2.750 321 N HA 0.240 4.981 4.740 0.001 0.000 0.253 321 N C -1.993 173.378 175.510 -0.232 0.000 1.408 321 N CA -1.659 51.203 53.050 -0.313 0.000 0.780 321 N CB 1.504 39.429 38.487 -0.937 0.000 1.191 321 N HN 0.008 nan 8.380 nan 0.000 0.511 322 P HA -0.044 nan 4.420 nan 0.000 0.220 322 P C 0.202 177.465 177.300 -0.062 0.000 1.148 322 P CA 1.049 64.133 63.100 -0.026 0.000 0.803 322 P CB 0.447 32.145 31.700 -0.004 0.000 0.782 323 D N -0.765 119.562 120.400 -0.122 0.000 2.347 323 D HA 0.024 4.665 4.640 0.001 0.000 0.215 323 D C 1.676 177.861 176.300 -0.191 0.000 0.976 323 D CA 1.127 55.060 54.000 -0.112 0.000 0.884 323 D CB -0.242 40.513 40.800 -0.074 0.000 0.915 323 D HN 0.128 nan 8.370 nan 0.000 0.526 324 G N 1.823 110.354 108.800 -0.448 0.000 2.651 324 G HA2 -0.411 3.550 3.960 0.001 0.000 0.315 324 G HA3 -0.411 3.550 3.960 0.001 0.000 0.315 324 G C 1.066 175.622 174.900 -0.575 0.000 1.258 324 G CA 0.659 45.294 45.100 -0.774 0.000 1.002 324 G HN 0.275 nan 8.290 nan 0.000 0.551 325 M N 1.269 120.777 119.600 -0.153 0.000 2.549 325 M HA 0.128 4.609 4.480 0.001 0.000 0.260 325 M C 2.643 178.926 176.300 -0.030 0.000 1.076 325 M CA 1.475 56.764 55.300 -0.018 0.000 1.090 325 M CB -0.143 32.529 32.600 0.119 0.000 1.418 325 M HN 0.657 nan 8.290 nan 0.000 0.486 326 A N -0.581 122.204 122.820 -0.059 0.000 2.238 326 A HA -0.022 4.299 4.320 0.001 0.000 0.208 326 A C 1.736 179.269 177.584 -0.085 0.000 1.177 326 A CA 0.083 52.070 52.037 -0.084 0.000 0.804 326 A CB -0.835 18.113 19.000 -0.087 0.000 0.823 326 A HN 0.508 nan 8.150 nan 0.000 0.482 327 F N 0.823 120.624 119.950 -0.249 0.000 2.134 327 F HA -0.207 4.321 4.527 0.001 0.000 0.299 327 F C 1.871 177.546 175.800 -0.210 0.000 1.097 327 F CA 1.578 59.400 58.000 -0.297 0.000 1.264 327 F CB 0.027 38.782 39.000 -0.407 0.000 1.001 327 F HN 0.196 nan 8.300 nan 0.000 0.479 328 I N 1.700 122.293 120.570 0.039 0.000 2.099 328 I HA -0.200 3.971 4.170 0.001 0.000 0.239 328 I C -0.335 175.777 176.117 -0.008 0.000 1.066 328 I CA 1.768 63.093 61.300 0.043 0.000 1.324 328 I CB -2.925 35.201 38.000 0.210 0.000 1.037 328 I HN 0.128 nan 8.210 nan 0.000 0.401 329 P HA -0.069 nan 4.420 nan 0.000 0.220 329 P C 2.205 179.474 177.300 -0.052 0.000 1.152 329 P CA 1.311 64.448 63.100 0.063 0.000 0.812 329 P CB 0.045 31.720 31.700 -0.041 0.000 0.792 330 L N -1.178 119.952 121.223 -0.154 0.000 2.162 330 L HA 0.042 4.383 4.340 0.001 0.000 0.205 330 L C 2.811 179.519 176.870 -0.270 0.000 1.086 330 L CA 1.231 55.961 54.840 -0.183 0.000 0.778 330 L CB -0.392 41.550 42.059 -0.195 0.000 0.928 330 L HN -0.120 nan 8.230 nan 0.000 0.446 331 R N -1.321 118.869 120.500 -0.517 0.000 2.140 331 R HA 0.074 4.415 4.340 0.001 0.000 0.200 331 R C 2.170 178.212 176.300 -0.429 0.000 1.069 331 R CA 0.313 56.012 56.100 -0.668 0.000 1.088 331 R CB 0.018 29.536 30.300 -1.302 0.000 1.012 331 R HN 0.015 nan 8.270 nan 0.000 0.500 332 V N 1.480 121.124 119.914 -0.451 0.000 2.307 332 V HA -0.207 3.914 4.120 0.001 0.000 0.245 332 V C 2.150 178.334 176.094 0.150 0.000 1.045 332 V CA 1.602 63.891 62.300 -0.018 0.000 1.024 332 V CB -0.341 31.499 31.823 0.028 0.000 0.651 332 V HN 0.136 nan 8.190 nan 0.000 0.449 333 I N 0.277 120.888 120.570 0.069 0.000 2.163 333 I HA -0.149 4.022 4.170 0.001 0.000 0.243 333 I C -0.121 176.055 176.117 0.097 0.000 1.085 333 I CA 2.112 63.466 61.300 0.090 0.000 1.347 333 I CB -1.526 36.526 38.000 0.086 0.000 1.044 333 I HN 0.345 nan 8.210 nan 0.000 0.408 334 P HA -0.187 nan 4.420 nan 0.000 0.217 334 P C 1.901 179.289 177.300 0.146 0.000 1.150 334 P CA 1.388 64.541 63.100 0.087 0.000 0.832 334 P CB -0.186 31.551 31.700 0.060 0.000 0.787 335 F N 0.635 120.629 119.950 0.073 0.000 2.102 335 F HA -0.157 4.371 4.527 0.001 0.000 0.298 335 F C 2.039 177.887 175.800 0.080 0.000 1.105 335 F CA 1.488 59.562 58.000 0.123 0.000 1.239 335 F CB -1.007 38.160 39.000 0.278 0.000 0.991 335 F HN -0.280 nan 8.300 nan 0.000 0.474 336 L N -0.238 121.063 121.223 0.131 0.000 2.093 336 L HA -0.188 4.153 4.340 0.001 0.000 0.208 336 L C 2.778 179.601 176.870 -0.078 0.000 1.085 336 L CA 1.030 55.857 54.840 -0.021 0.000 0.755 336 L CB -0.733 41.383 42.059 0.094 0.000 0.904 336 L HN 0.056 nan 8.230 nan 0.000 0.435 337 R N 0.464 120.950 120.500 -0.023 0.000 2.083 337 R HA -0.231 4.110 4.340 0.001 0.000 0.237 337 R C 2.129 178.389 176.300 -0.068 0.000 1.137 337 R CA 1.874 57.956 56.100 -0.031 0.000 0.951 337 R CB -0.353 29.946 30.300 -0.001 0.000 0.851 337 R HN 0.457 nan 8.270 nan 0.000 0.434 338 E N 0.292 120.436 120.200 -0.093 0.000 2.204 338 E HA -0.144 4.207 4.350 0.001 0.000 0.194 338 E C 0.860 177.351 176.600 -0.182 0.000 0.989 338 E CA 0.884 57.214 56.400 -0.116 0.000 0.824 338 E CB 0.218 29.860 29.700 -0.097 0.000 0.756 338 E HN 0.043 nan 8.360 nan 0.000 0.477 339 K N -0.539 119.696 120.400 -0.276 0.000 2.458 339 K HA 0.058 4.379 4.320 0.001 0.000 0.194 339 K C 0.973 177.482 176.600 -0.151 0.000 1.024 339 K CA 0.739 56.862 56.287 -0.273 0.000 1.108 339 K CB 0.822 33.087 32.500 -0.392 0.000 0.846 339 K HN 0.338 nan 8.250 nan 0.000 0.518 340 G N 0.536 109.268 108.800 -0.112 0.000 2.179 340 G HA2 -0.225 3.736 3.960 0.001 0.000 0.220 340 G HA3 -0.225 3.736 3.960 0.001 0.000 0.220 340 G C 0.107 174.974 174.900 -0.055 0.000 0.990 340 G CA -0.101 44.956 45.100 -0.072 0.000 0.646 340 G HN 0.101 nan 8.290 nan 0.000 0.517 341 V N 2.971 122.852 119.914 -0.055 0.000 2.508 341 V HA 0.403 4.524 4.120 0.001 0.000 0.281 341 V C -1.386 174.692 176.094 -0.026 0.000 1.041 341 V CA -1.200 61.081 62.300 -0.033 0.000 1.016 341 V CB 1.105 32.917 31.823 -0.020 0.000 0.984 341 V HN 0.185 nan 8.190 nan 0.000 0.478 342 P HA 0.107 nan 4.420 nan 0.000 0.268 342 P C 0.450 177.739 177.300 -0.018 0.000 1.204 342 P CA -0.123 62.964 63.100 -0.021 0.000 0.768 342 P CB 0.769 32.457 31.700 -0.021 0.000 0.842 343 Q N 2.695 122.486 119.800 -0.015 0.000 2.096 343 Q HA -0.256 4.084 4.340 0.001 0.000 0.208 343 Q C 1.561 177.549 176.000 -0.020 0.000 0.993 343 Q CA 2.136 57.932 55.803 -0.013 0.000 0.862 343 Q CB -0.459 28.276 28.738 -0.006 0.000 0.915 343 Q HN 0.513 nan 8.270 nan 0.000 0.416 344 E N -1.244 118.944 120.200 -0.020 0.000 2.110 344 E HA -0.170 4.180 4.350 0.001 0.000 0.193 344 E C 1.966 178.547 176.600 -0.032 0.000 0.988 344 E CA 1.505 57.891 56.400 -0.024 0.000 0.804 344 E CB -0.159 29.529 29.700 -0.021 0.000 0.745 344 E HN 0.370 nan 8.360 nan 0.000 0.458 345 T N 1.781 116.317 114.554 -0.029 0.000 2.720 345 T HA -0.137 4.213 4.350 0.001 0.000 0.268 345 T C 1.929 176.605 174.700 -0.041 0.000 1.037 345 T CA 0.905 62.986 62.100 -0.031 0.000 1.144 345 T CB -0.191 68.662 68.868 -0.024 0.000 0.864 345 T HN 0.111 nan 8.240 nan 0.000 0.444 346 L N 0.667 121.865 121.223 -0.041 0.000 2.083 346 L HA -0.076 4.265 4.340 0.001 0.000 0.209 346 L C 3.061 179.864 176.870 -0.113 0.000 1.083 346 L CA 1.225 56.030 54.840 -0.058 0.000 0.752 346 L CB -0.731 41.308 42.059 -0.034 0.000 0.899 346 L HN 0.243 nan 8.230 nan 0.000 0.433 347 A N 0.456 123.219 122.820 -0.094 0.000 1.898 347 A HA -0.080 4.241 4.320 0.001 0.000 0.216 347 A C 2.424 179.940 177.584 -0.114 0.000 1.181 347 A CA 1.580 53.547 52.037 -0.117 0.000 0.620 347 A CB -1.161 17.800 19.000 -0.064 0.000 0.819 347 A HN 0.426 nan 8.150 nan 0.000 0.442 348 G N 0.046 108.800 108.800 -0.077 0.000 2.418 348 G HA2 -0.182 3.779 3.960 0.001 0.000 0.217 348 G HA3 -0.182 3.779 3.960 0.001 0.000 0.217 348 G C 1.514 176.369 174.900 -0.074 0.000 1.158 348 G CA 1.141 46.204 45.100 -0.061 0.000 0.771 348 G HN 0.476 nan 8.290 nan 0.000 0.545 349 I N 1.343 121.861 120.570 -0.088 0.000 2.252 349 I HA -0.135 4.036 4.170 0.001 0.000 0.245 349 I C 3.041 179.076 176.117 -0.136 0.000 1.102 349 I CA 1.757 63.003 61.300 -0.089 0.000 1.385 349 I CB -0.225 37.734 38.000 -0.068 0.000 1.064 349 I HN 0.328 nan 8.210 nan 0.000 0.414 350 T N -3.117 111.284 114.554 -0.256 0.000 3.057 350 T HA 0.136 4.487 4.350 0.001 0.000 0.254 350 T C 1.413 175.916 174.700 -0.328 0.000 1.094 350 T CA 0.346 62.181 62.100 -0.442 0.000 1.088 350 T CB 0.196 68.394 68.868 -1.115 0.000 0.934 350 T HN 0.106 nan 8.240 nan 0.000 0.497 351 V N 0.753 120.547 119.914 -0.200 0.000 2.948 351 V HA 0.060 4.181 4.120 0.001 0.000 0.234 351 V C 2.791 178.865 176.094 -0.033 0.000 1.205 351 V CA 1.169 63.417 62.300 -0.086 0.000 1.234 351 V CB -0.230 31.552 31.823 -0.068 0.000 1.020 351 V HN 0.375 nan 8.190 nan 0.000 0.491 352 T N 1.010 115.540 114.554 -0.039 0.000 2.737 352 T HA -0.125 4.225 4.350 0.001 0.000 0.265 352 T C 1.801 176.501 174.700 -0.000 0.000 1.038 352 T CA 1.779 63.870 62.100 -0.016 0.000 1.144 352 T CB -0.305 68.551 68.868 -0.020 0.000 0.866 352 T HN 0.322 nan 8.240 nan 0.000 0.434 353 N N 1.418 120.112 118.700 -0.010 0.000 2.084 353 N HA -0.048 4.692 4.740 0.001 0.000 0.190 353 N C -0.996 174.543 175.510 0.049 0.000 1.030 353 N CA 1.161 54.214 53.050 0.004 0.000 0.849 353 N CB -1.470 37.000 38.487 -0.028 0.000 1.012 353 N HN 0.344 nan 8.380 nan 0.000 0.423 354 P HA -0.014 nan 4.420 nan 0.000 0.217 354 P C 1.062 178.439 177.300 0.128 0.000 1.150 354 P CA 1.421 64.592 63.100 0.118 0.000 0.832 354 P CB -0.083 31.672 31.700 0.092 0.000 0.787 355 A N 0.185 123.048 122.820 0.071 0.000 1.908 355 A HA -0.218 4.103 4.320 0.001 0.000 0.218 355 A C 2.481 180.092 177.584 0.046 0.000 1.181 355 A CA 1.568 53.633 52.037 0.046 0.000 0.627 355 A CB -1.244 17.772 19.000 0.026 0.000 0.818 355 A HN 0.005 nan 8.150 nan 0.000 0.445 356 R N -1.911 118.625 120.500 0.060 0.000 2.081 356 R HA -0.144 4.197 4.340 0.001 0.000 0.235 356 R C 1.998 178.355 176.300 0.096 0.000 1.131 356 R CA 1.747 57.882 56.100 0.059 0.000 0.960 356 R CB -0.432 29.902 30.300 0.057 0.000 0.856 356 R HN 0.541 nan 8.270 nan 0.000 0.436 357 F N 1.335 121.268 119.950 -0.030 0.000 2.075 357 F HA -0.154 4.374 4.527 0.001 0.000 0.297 357 F C 1.843 177.619 175.800 -0.041 0.000 1.113 357 F CA 1.499 59.478 58.000 -0.036 0.000 1.218 357 F CB -0.430 38.553 39.000 -0.028 0.000 0.984 357 F HN -0.048 nan 8.300 nan 0.000 0.472 358 L N -0.524 120.656 121.223 -0.072 0.000 2.156 358 L HA -0.085 4.256 4.340 0.001 0.000 0.208 358 L C 1.454 178.225 176.870 -0.164 0.000 1.095 358 L CA 0.747 55.469 54.840 -0.197 0.000 0.770 358 L CB -0.902 41.110 42.059 -0.079 0.000 0.914 358 L HN 0.053 nan 8.230 nan 0.000 0.439 359 S N 1.385 117.028 115.700 -0.095 0.000 2.555 359 S HA 0.087 4.558 4.470 0.001 0.000 0.293 359 S C -2.162 172.374 174.600 -0.108 0.000 1.248 359 S CA -1.386 56.765 58.200 -0.082 0.000 1.096 359 S CB 0.099 63.271 63.200 -0.047 0.000 0.881 359 S HN -0.070 nan 8.310 nan 0.000 0.498 360 P HA 0.123 nan 4.420 nan 0.000 0.260 360 P C -0.911 176.338 177.300 -0.084 0.000 1.185 360 P CA 0.217 63.251 63.100 -0.109 0.000 0.763 360 P CB 0.378 32.023 31.700 -0.092 0.000 0.776 361 T N 4.420 118.922 114.554 -0.088 0.000 2.949 361 T HA 0.366 4.716 4.350 0.001 0.000 0.300 361 T C -0.293 174.371 174.700 -0.060 0.000 0.988 361 T CA -0.514 61.546 62.100 -0.066 0.000 0.993 361 T CB 0.651 69.482 68.868 -0.061 0.000 0.984 361 T HN 0.006 nan 8.240 nan 0.000 0.442 362 L N 3.024 124.219 121.223 -0.047 0.000 2.375 362 L HA 0.680 5.021 4.340 0.001 0.000 0.271 362 L C 1.199 178.049 176.870 -0.033 0.000 1.107 362 L CA -0.058 54.758 54.840 -0.039 0.000 0.806 362 L CB 0.249 42.289 42.059 -0.031 0.000 1.146 362 L HN 0.853 nan 8.230 nan 0.000 0.447 363 R N 2.450 122.932 120.500 -0.030 0.000 2.827 363 R HA 0.653 4.993 4.340 0.001 0.000 0.269 363 R C 0.600 176.889 176.300 -0.019 0.000 1.048 363 R CA 0.175 56.260 56.100 -0.024 0.000 1.173 363 R CB -0.858 29.431 30.300 -0.020 0.000 1.070 363 R HN 0.976 nan 8.270 nan 0.000 0.498 364 A N 0.000 122.811 122.820 -0.016 0.000 2.254 364 A HA 0.000 4.321 4.320 0.001 0.000 0.244 364 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 364 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 364 A HN 0.000 nan 8.150 nan 0.000 0.486