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 3l4d_1_B DATA FIRST_RESID 28 DATA SEQUENCE KGKLPPVVHG TTPFVGHIIQ FGKDPLGFML KAKKKYGGIF TMNICGNRIT DATA SEQUENCE VVGDVHQHSK FFTPRNEILS PREVYSFMVP VFGEGVAYAA PYPRMREQLN DATA SEQUENCE FLAEELTVAK FQNFAPSIQH EVRKFMKANW NKDEGEINIL DDCSAMIINT DATA SEQUENCE ACQCLFGEDL RKRLDARQFA QLLAKMESCL IPAAVFLPWI LKLPLPQSYR DATA SEQUENCE CRDARAELQD ILSEIIIARE KEEAQKDTNT SDLLAGLLGA VYRDGTRMSQ DATA SEQUENCE HEVCGMIVAA MFAGQHTSTI TTTWSLLHLM DPRNKRHLAK LHQEIDEFPA DATA SEQUENCE QLNYDNVMEE MPFAEQCARE SIRRDPPLVM LMRKVLKPVQ VGKYVVPEGD DATA SEQUENCE IIACSPLLSH QDEEAFPNPR EWNPERNMKL VDGAFCGFGA GVHKCIGEKF DATA SEQUENCE GLLQVKTVLA TVLRDYDFEL LGPLPEPNYH TMVVGPTASQ CRVKYIKKK 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 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.610 176.600 0.016 0.000 0.988 28 K CA 0.000 56.295 56.287 0.013 0.000 0.838 28 K CB 0.000 32.507 32.500 0.012 0.000 1.064 29 G N 1.035 109.849 108.800 0.023 0.000 2.579 29 G HA2 0.404 4.363 3.960 -0.001 0.000 0.292 29 G HA3 0.404 4.363 3.960 -0.001 0.000 0.292 29 G C -2.328 172.604 174.900 0.054 0.000 1.484 29 G CA -0.670 44.451 45.100 0.035 0.000 0.813 29 G HN -0.040 nan 8.290 nan 0.000 0.515 30 K N 0.289 120.742 120.400 0.089 0.000 2.259 30 K HA 0.722 5.042 4.320 -0.001 0.000 0.252 30 K C -0.450 176.278 176.600 0.213 0.000 0.936 30 K CA -0.807 55.564 56.287 0.140 0.000 0.810 30 K CB 1.526 34.117 32.500 0.152 0.000 1.143 30 K HN 0.370 nan 8.250 nan 0.000 0.427 31 L N 5.908 127.210 121.223 0.131 0.000 2.305 31 L HA 0.389 4.729 4.340 -0.001 0.000 0.281 31 L C -1.889 174.923 176.870 -0.097 0.000 1.085 31 L CA -2.097 52.764 54.840 0.035 0.000 0.813 31 L CB 1.079 43.134 42.059 -0.007 0.000 1.157 31 L HN 0.592 nan 8.230 nan 0.000 0.436 32 P HA 0.028 nan 4.420 nan 0.000 0.266 32 P C -2.395 174.634 177.300 -0.451 0.000 1.193 32 P CA -0.752 61.856 63.100 -0.820 0.000 0.770 32 P CB -0.276 31.080 31.700 -0.574 0.000 0.836 33 P HA -0.002 nan 4.420 nan 0.000 0.268 33 P C -0.742 176.329 177.300 -0.382 0.000 1.205 33 P CA 0.319 63.234 63.100 -0.308 0.000 0.771 33 P CB 0.374 31.937 31.700 -0.229 0.000 0.858 34 V N 4.014 123.705 119.914 -0.373 0.000 2.407 34 V HA 0.124 4.244 4.120 -0.001 0.000 0.278 34 V C 0.943 176.687 176.094 -0.583 0.000 1.037 34 V CA -0.869 61.224 62.300 -0.345 0.000 0.900 34 V CB 1.333 33.057 31.823 -0.165 0.000 0.983 34 V HN 0.488 nan 8.190 nan 0.000 0.459 35 V N 3.215 122.753 119.914 -0.627 0.000 2.763 35 V HA 0.246 4.366 4.120 -0.001 0.000 0.306 35 V C 0.684 176.696 176.094 -0.136 0.000 1.059 35 V CA -0.169 61.701 62.300 -0.717 0.000 1.138 35 V CB 0.056 31.480 31.823 -0.665 0.000 0.940 35 V HN 0.808 nan 8.190 nan 0.000 0.489 36 H N 2.936 122.048 119.070 0.070 0.000 2.430 36 H HA 0.372 4.928 4.556 -0.001 0.000 0.359 36 H C 1.436 176.888 175.328 0.206 0.000 1.672 36 H CA 0.771 56.903 56.048 0.141 0.000 1.445 36 H CB 0.271 30.119 29.762 0.143 0.000 1.642 36 H HN 1.489 nan 8.280 nan 0.000 0.593 37 G N 1.055 110.015 108.800 0.268 0.000 2.374 37 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.289 37 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.289 37 G C 0.205 175.140 174.900 0.059 0.000 1.004 37 G CA 0.804 45.991 45.100 0.145 0.000 1.292 37 G HN 0.747 nan 8.290 nan 0.000 0.502 38 T N 0.943 115.454 114.554 -0.072 0.000 2.749 38 T HA 0.629 4.979 4.350 -0.001 0.000 0.287 38 T C 1.112 175.699 174.700 -0.188 0.000 0.970 38 T CA 0.454 62.369 62.100 -0.307 0.000 0.980 38 T CB 0.336 68.991 68.868 -0.355 0.000 0.924 38 T HN 0.965 nan 8.240 nan 0.000 0.456 39 T N 5.747 120.200 114.554 -0.168 0.000 2.930 39 T HA 0.214 4.564 4.350 -0.001 0.000 0.306 39 T C -1.504 173.119 174.700 -0.128 0.000 1.045 39 T CA -1.299 60.745 62.100 -0.094 0.000 1.134 39 T CB 0.501 69.349 68.868 -0.034 0.000 0.961 39 T HN 0.357 nan 8.240 nan 0.000 0.545 40 P HA -0.188 nan 4.420 nan 0.000 0.221 40 P C 0.687 177.662 177.300 -0.542 0.000 1.160 40 P CA 1.698 64.598 63.100 -0.334 0.000 0.933 40 P CB -0.043 31.567 31.700 -0.151 0.000 0.793 41 F N -3.357 116.573 119.950 -0.034 0.000 2.789 41 F HA 0.106 4.632 4.527 -0.000 0.000 0.320 41 F C 1.765 177.555 175.800 -0.017 0.000 1.079 41 F CA -0.037 57.948 58.000 -0.024 0.000 1.205 41 F CB -0.204 38.786 39.000 -0.016 0.000 1.046 41 F HN -0.258 nan 8.300 nan 0.000 0.586 42 V N -2.484 117.504 119.914 0.123 0.000 3.650 42 V HA 0.604 4.723 4.120 -0.001 0.000 0.271 42 V C 1.427 177.505 176.094 -0.027 0.000 1.281 42 V CA 0.398 62.740 62.300 0.070 0.000 1.120 42 V CB -0.601 31.268 31.823 0.077 0.000 0.856 42 V HN 0.410 nan 8.190 nan 0.000 0.443 43 G N 1.771 110.508 108.800 -0.104 0.000 2.591 43 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.298 43 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.298 43 G C 0.501 175.209 174.900 -0.320 0.000 1.195 43 G CA 0.724 45.671 45.100 -0.255 0.000 0.989 43 G HN 0.660 nan 8.290 nan 0.000 0.551 44 H N 0.303 119.318 119.070 -0.093 0.000 2.517 44 H HA 0.303 4.859 4.556 -0.001 0.000 0.282 44 H C 2.412 177.653 175.328 -0.145 0.000 1.023 44 H CA 0.438 56.425 56.048 -0.102 0.000 1.169 44 H CB 0.240 29.904 29.762 -0.163 0.000 1.454 44 H HN 0.407 nan 8.280 nan 0.000 0.556 45 I N 0.582 121.135 120.570 -0.028 0.000 2.208 45 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 45 I C 1.769 177.919 176.117 0.055 0.000 1.097 45 I CA 1.118 62.422 61.300 0.008 0.000 1.363 45 I CB 0.126 38.134 38.000 0.012 0.000 1.051 45 I HN 0.038 nan 8.210 nan 0.000 0.413 46 I N 0.846 121.444 120.570 0.048 0.000 2.202 46 I HA -0.314 3.856 4.170 -0.001 0.000 0.242 46 I C 2.531 178.681 176.117 0.055 0.000 1.091 46 I CA 1.604 62.937 61.300 0.055 0.000 1.368 46 I CB -0.626 37.407 38.000 0.055 0.000 1.058 46 I HN 0.293 nan 8.210 nan 0.000 0.410 47 Q N -1.015 118.829 119.800 0.073 0.000 2.084 47 Q HA -0.228 4.112 4.340 -0.001 0.000 0.202 47 Q C 2.258 178.284 176.000 0.043 0.000 0.978 47 Q CA 1.732 57.602 55.803 0.112 0.000 0.844 47 Q CB -0.466 28.412 28.738 0.233 0.000 0.898 47 Q HN 0.414 nan 8.270 nan 0.000 0.426 48 F N 1.360 121.114 119.950 -0.326 0.000 2.075 48 F HA -0.093 4.434 4.527 -0.001 0.000 0.297 48 F C 2.181 177.844 175.800 -0.228 0.000 1.113 48 F CA 1.765 59.458 58.000 -0.512 0.000 1.218 48 F CB -0.927 37.692 39.000 -0.635 0.000 0.984 48 F HN 0.050 nan 8.300 nan 0.000 0.472 49 G N 0.097 108.790 108.800 -0.178 0.000 2.469 49 G HA2 -0.414 3.546 3.960 -0.001 0.000 0.219 49 G HA3 -0.414 3.546 3.960 -0.001 0.000 0.219 49 G C 1.644 176.435 174.900 -0.182 0.000 1.150 49 G CA 1.337 46.312 45.100 -0.208 0.000 0.763 49 G HN 0.403 nan 8.290 nan 0.000 0.561 50 K N 0.842 121.204 120.400 -0.065 0.000 1.988 50 K HA -0.184 4.136 4.320 -0.001 0.000 0.221 50 K C 0.428 176.998 176.600 -0.050 0.000 1.053 50 K CA 1.902 58.189 56.287 -0.001 0.000 0.959 50 K CB -0.330 32.194 32.500 0.040 0.000 0.728 50 K HN 0.263 nan 8.250 nan 0.000 0.447 51 D N -0.832 119.519 120.400 -0.082 0.000 2.405 51 D HA 0.248 4.887 4.640 -0.001 0.000 0.264 51 D C -2.118 174.066 176.300 -0.193 0.000 1.240 51 D CA -2.194 51.743 54.000 -0.105 0.000 0.893 51 D CB 1.386 42.188 40.800 0.003 0.000 1.198 51 D HN -0.010 nan 8.370 nan 0.000 0.514 52 P HA -0.219 nan 4.420 nan 0.000 0.214 52 P C 1.773 178.968 177.300 -0.176 0.000 1.169 52 P CA 0.508 63.257 63.100 -0.584 0.000 0.908 52 P CB 0.389 31.536 31.700 -0.921 0.000 0.791 53 L N 0.142 121.144 121.223 -0.367 0.000 1.997 53 L HA -0.148 4.192 4.340 -0.001 0.000 0.216 53 L C 2.577 179.441 176.870 -0.011 0.000 1.074 53 L CA 2.745 57.473 54.840 -0.186 0.000 0.763 53 L CB -1.773 40.134 42.059 -0.254 0.000 0.890 53 L HN 0.027 nan 8.230 nan 0.000 0.434 54 G N -1.321 107.477 108.800 -0.004 0.000 2.480 54 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.216 54 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.216 54 G C 1.599 176.547 174.900 0.079 0.000 1.200 54 G CA 0.991 46.116 45.100 0.042 0.000 0.782 54 G HN 0.514 nan 8.290 nan 0.000 0.554 55 F N 1.187 121.131 119.950 -0.009 0.000 2.045 55 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 55 F C 2.866 178.657 175.800 -0.014 0.000 1.114 55 F CA 2.516 60.527 58.000 0.019 0.000 1.207 55 F CB -0.164 38.913 39.000 0.129 0.000 0.964 55 F HN 0.109 nan 8.300 nan 0.000 0.486 56 M N -0.542 119.260 119.600 0.337 0.000 2.086 56 M HA -0.221 4.258 4.480 -0.001 0.000 0.261 56 M C 2.131 178.463 176.300 0.052 0.000 1.067 56 M CA 1.255 56.710 55.300 0.258 0.000 1.116 56 M CB -0.691 32.187 32.600 0.462 0.000 1.348 56 M HN 0.252 nan 8.290 nan 0.000 0.407 57 L N 0.809 122.068 121.223 0.060 0.000 1.997 57 L HA -0.257 4.083 4.340 -0.001 0.000 0.216 57 L C 2.300 179.136 176.870 -0.057 0.000 1.074 57 L CA 2.029 56.885 54.840 0.027 0.000 0.763 57 L CB -0.991 41.086 42.059 0.029 0.000 0.890 57 L HN 0.258 nan 8.230 nan 0.000 0.434 58 K N -1.352 118.971 120.400 -0.128 0.000 2.057 58 K HA -0.119 4.200 4.320 -0.001 0.000 0.207 58 K C 2.071 178.490 176.600 -0.301 0.000 1.049 58 K CA 1.284 57.457 56.287 -0.190 0.000 0.931 58 K CB -0.318 32.068 32.500 -0.190 0.000 0.714 58 K HN 0.361 nan 8.250 nan 0.000 0.440 59 A N 2.070 124.589 122.820 -0.502 0.000 1.865 59 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 59 A C 2.090 179.446 177.584 -0.380 0.000 1.191 59 A CA 1.829 53.456 52.037 -0.682 0.000 0.623 59 A CB -0.492 17.554 19.000 -1.590 0.000 0.826 59 A HN 0.239 nan 8.150 nan 0.000 0.444 60 K N -0.154 120.148 120.400 -0.164 0.000 2.113 60 K HA -0.234 4.086 4.320 -0.001 0.000 0.208 60 K C 2.172 178.804 176.600 0.053 0.000 1.047 60 K CA 1.956 58.340 56.287 0.162 0.000 0.928 60 K CB -0.181 32.463 32.500 0.241 0.000 0.716 60 K HN 0.499 nan 8.250 nan 0.000 0.446 61 K N 1.062 121.437 120.400 -0.042 0.000 1.973 61 K HA -0.208 4.112 4.320 -0.001 0.000 0.212 61 K C 2.205 178.725 176.600 -0.133 0.000 1.047 61 K CA 1.848 58.096 56.287 -0.065 0.000 0.937 61 K CB -0.138 32.313 32.500 -0.082 0.000 0.721 61 K HN 0.008 nan 8.250 nan 0.000 0.440 62 K N -0.865 119.370 120.400 -0.274 0.000 2.103 62 K HA -0.182 4.137 4.320 -0.001 0.000 0.207 62 K C 1.341 177.605 176.600 -0.559 0.000 1.048 62 K CA 1.758 57.740 56.287 -0.508 0.000 0.930 62 K CB 0.017 32.018 32.500 -0.831 0.000 0.716 62 K HN 0.264 nan 8.250 nan 0.000 0.444 63 Y N -1.297 118.943 120.300 -0.100 0.000 2.467 63 Y HA 0.319 4.869 4.550 -0.001 0.000 0.259 63 Y C 0.857 176.787 175.900 0.050 0.000 1.084 63 Y CA 0.183 58.255 58.100 -0.048 0.000 1.275 63 Y CB 1.440 39.836 38.460 -0.107 0.000 1.208 63 Y HN 0.239 nan 8.280 nan 0.000 0.511 64 G N -0.345 108.578 108.800 0.206 0.000 2.525 64 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.685 64 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.685 64 G C 0.854 175.920 174.900 0.277 0.000 1.290 64 G CA -0.499 44.727 45.100 0.211 0.000 0.915 64 G HN 0.426 nan 8.290 nan 0.000 0.548 65 G N -0.845 108.082 108.800 0.212 0.000 2.432 65 G HA2 0.191 4.151 3.960 -0.001 0.000 0.219 65 G HA3 0.191 4.151 3.960 -0.001 0.000 0.219 65 G C 0.922 175.861 174.900 0.065 0.000 1.135 65 G CA 1.460 46.661 45.100 0.168 0.000 0.767 65 G HN 0.842 nan 8.290 nan 0.000 0.550 66 I N 1.751 122.374 120.570 0.089 0.000 2.347 66 I HA 0.400 4.570 4.170 -0.001 0.000 0.283 66 I C -0.744 175.290 176.117 -0.138 0.000 1.058 66 I CA -1.018 60.239 61.300 -0.071 0.000 1.202 66 I CB -0.273 37.766 38.000 0.065 0.000 1.386 66 I HN 0.120 nan 8.210 nan 0.000 0.475 67 F N 2.631 122.487 119.950 -0.157 0.000 2.631 67 F HA 0.825 5.352 4.527 -0.001 0.000 0.328 67 F C -0.316 175.338 175.800 -0.244 0.000 1.067 67 F CA -1.147 56.704 58.000 -0.248 0.000 0.969 67 F CB 1.374 40.236 39.000 -0.229 0.000 1.332 67 F HN 0.034 nan 8.300 nan 0.000 0.490 68 T N 2.729 117.308 114.554 0.042 0.000 2.847 68 T HA 0.518 4.868 4.350 -0.001 0.000 0.291 68 T C -0.429 174.259 174.700 -0.020 0.000 0.998 68 T CA -0.467 61.603 62.100 -0.050 0.000 0.967 68 T CB 0.943 69.739 68.868 -0.121 0.000 0.954 68 T HN 0.549 nan 8.240 nan 0.000 0.441 69 M N 2.982 122.570 119.600 -0.020 0.000 2.359 69 M HA 0.422 4.902 4.480 -0.001 0.000 0.322 69 M C 0.531 176.821 176.300 -0.017 0.000 1.166 69 M CA -0.759 54.484 55.300 -0.096 0.000 1.067 69 M CB 0.750 33.217 32.600 -0.221 0.000 1.523 69 M HN 0.373 nan 8.290 nan 0.000 0.467 70 N N 2.601 121.456 118.700 0.258 0.000 2.479 70 N HA 0.299 5.039 4.740 -0.001 0.000 0.261 70 N C -1.899 173.572 175.510 -0.065 0.000 0.979 70 N CA -0.235 52.854 53.050 0.066 0.000 0.930 70 N CB 0.894 39.396 38.487 0.025 0.000 1.172 70 N HN 0.551 nan 8.380 nan 0.000 0.499 71 I N 3.826 124.262 120.570 -0.224 0.000 2.388 71 I HA 0.195 4.365 4.170 -0.001 0.000 0.281 71 I C 0.457 176.473 176.117 -0.168 0.000 1.046 71 I CA -0.350 60.744 61.300 -0.343 0.000 1.187 71 I CB -0.183 37.283 38.000 -0.889 0.000 1.351 71 I HN 0.543 nan 8.210 nan 0.000 0.472 72 C N 4.979 124.244 119.300 -0.058 0.000 3.896 72 C HA -0.143 4.317 4.460 -0.001 0.000 0.300 72 C C 1.665 176.692 174.990 0.063 0.000 1.322 72 C CA 0.694 59.745 59.018 0.055 0.000 2.130 72 C CB -2.447 25.380 27.740 0.146 0.000 1.363 72 C HN 1.212 nan 8.230 nan 0.000 0.642 73 G N -0.080 108.727 108.800 0.011 0.000 2.179 73 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.260 73 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.260 73 G C -0.226 174.681 174.900 0.011 0.000 0.977 73 G CA 0.561 45.671 45.100 0.017 0.000 0.641 73 G HN 0.702 nan 8.290 nan 0.000 0.533 74 N N 0.620 119.316 118.700 -0.008 0.000 2.426 74 N HA 0.541 5.280 4.740 -0.001 0.000 0.275 74 N C 0.200 175.676 175.510 -0.057 0.000 1.019 74 N CA -0.317 52.727 53.050 -0.010 0.000 0.941 74 N CB 0.748 39.252 38.487 0.027 0.000 1.123 74 N HN 0.342 nan 8.380 nan 0.000 0.486 75 R N 1.839 122.319 120.500 -0.033 0.000 2.216 75 R HA 0.369 4.709 4.340 -0.001 0.000 0.332 75 R C -0.158 176.109 176.300 -0.056 0.000 1.056 75 R CA -0.260 55.810 56.100 -0.049 0.000 0.901 75 R CB 0.728 31.007 30.300 -0.036 0.000 1.039 75 R HN 0.576 nan 8.270 nan 0.000 0.456 76 I N 1.748 122.260 120.570 -0.097 0.000 2.410 76 I HA 0.285 4.455 4.170 -0.001 0.000 0.286 76 I C -0.919 175.116 176.117 -0.136 0.000 1.009 76 I CA -0.310 60.931 61.300 -0.098 0.000 1.111 76 I CB 1.940 39.869 38.000 -0.119 0.000 1.262 76 I HN 0.433 nan 8.210 nan 0.000 0.443 77 T N 7.604 122.077 114.554 -0.134 0.000 2.733 77 T HA 0.347 4.697 4.350 -0.001 0.000 0.294 77 T C -0.114 174.425 174.700 -0.269 0.000 0.956 77 T CA -0.438 61.542 62.100 -0.199 0.000 0.987 77 T CB 1.100 69.879 68.868 -0.148 0.000 0.920 77 T HN 0.483 nan 8.240 nan 0.000 0.470 78 V N 2.159 121.793 119.914 -0.467 0.000 2.407 78 V HA 0.516 4.636 4.120 -0.001 0.000 0.278 78 V C 0.243 176.055 176.094 -0.470 0.000 1.037 78 V CA -0.840 61.150 62.300 -0.516 0.000 0.900 78 V CB 1.128 32.550 31.823 -0.668 0.000 0.983 78 V HN 0.567 nan 8.190 nan 0.000 0.459 79 V N 5.957 125.660 119.914 -0.352 0.000 2.229 79 V HA 0.262 4.382 4.120 -0.001 0.000 0.245 79 V C 1.665 177.666 176.094 -0.154 0.000 1.243 79 V CA 0.947 63.118 62.300 -0.215 0.000 1.176 79 V CB -0.244 31.465 31.823 -0.190 0.000 1.323 79 V HN 1.148 nan 8.190 nan 0.000 0.499 80 G N 2.057 110.772 108.800 -0.141 0.000 2.623 80 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.214 80 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.214 80 G C 0.659 175.634 174.900 0.125 0.000 1.138 80 G CA -0.073 45.023 45.100 -0.008 0.000 0.794 80 G HN 0.616 nan 8.290 nan 0.000 0.535 81 D N 1.153 121.631 120.400 0.130 0.000 2.359 81 D HA 0.046 4.685 4.640 -0.001 0.000 0.250 81 D C 1.327 177.745 176.300 0.196 0.000 1.264 81 D CA -0.236 53.866 54.000 0.171 0.000 0.911 81 D CB 1.267 42.164 40.800 0.163 0.000 1.056 81 D HN -0.071 nan 8.370 nan 0.000 0.499 82 V N 5.664 125.641 119.914 0.106 0.000 3.330 82 V HA -0.155 3.964 4.120 -0.001 0.000 0.273 82 V C 1.411 177.283 176.094 -0.370 0.000 1.179 82 V CA 1.332 63.490 62.300 -0.237 0.000 1.174 82 V CB -0.737 30.962 31.823 -0.208 0.000 0.794 82 V HN 0.608 nan 8.190 nan 0.000 0.527 83 H N -0.983 118.054 119.070 -0.055 0.000 2.575 83 H HA 0.212 4.768 4.556 -0.001 0.000 0.267 83 H C 1.338 176.696 175.328 0.051 0.000 0.966 83 H CA 0.437 56.473 56.048 -0.020 0.000 1.165 83 H CB 0.683 30.444 29.762 -0.002 0.000 1.433 83 H HN 0.523 nan 8.280 nan 0.000 0.544 84 Q N -0.506 119.421 119.800 0.213 0.000 2.194 84 Q HA 0.064 4.404 4.340 -0.001 0.000 0.214 84 Q C 1.187 177.358 176.000 0.284 0.000 0.838 84 Q CA -0.155 55.777 55.803 0.214 0.000 0.972 84 Q CB 0.366 29.208 28.738 0.173 0.000 1.131 84 Q HN 0.676 nan 8.270 nan 0.000 0.498 85 H N 1.034 120.195 119.070 0.153 0.000 2.400 85 H HA -0.163 4.393 4.556 -0.000 0.000 0.295 85 H C 2.220 177.742 175.328 0.322 0.000 1.118 85 H CA 1.608 57.794 56.048 0.230 0.000 1.256 85 H CB 0.367 30.332 29.762 0.337 0.000 1.365 85 H HN 0.299 nan 8.280 nan 0.000 0.502 86 S N 1.023 116.959 115.700 0.392 0.000 2.419 86 S HA -0.120 4.350 4.470 -0.001 0.000 0.233 86 S C 1.682 176.416 174.600 0.224 0.000 1.016 86 S CA 0.994 59.381 58.200 0.312 0.000 0.974 86 S CB -0.111 63.215 63.200 0.210 0.000 0.786 86 S HN 0.399 nan 8.310 nan 0.000 0.492 87 K N -0.216 120.295 120.400 0.184 0.000 2.486 87 K HA 0.155 4.475 4.320 -0.001 0.000 0.194 87 K C 1.307 177.965 176.600 0.095 0.000 1.033 87 K CA 0.765 57.123 56.287 0.118 0.000 1.004 87 K CB -0.155 32.409 32.500 0.106 0.000 0.798 87 K HN 0.587 nan 8.250 nan 0.000 0.495 88 F N -0.923 118.971 119.950 -0.093 0.000 2.553 88 F HA 0.175 4.702 4.527 -0.001 0.000 0.282 88 F C 1.188 176.826 175.800 -0.270 0.000 1.089 88 F CA 0.140 57.980 58.000 -0.268 0.000 1.411 88 F CB 0.323 39.017 39.000 -0.509 0.000 1.125 88 F HN -0.182 nan 8.300 nan 0.000 0.610 89 F N 0.001 120.029 119.950 0.130 0.000 2.664 89 F HA 0.021 4.547 4.527 -0.001 0.000 0.296 89 F C 2.194 177.983 175.800 -0.018 0.000 1.125 89 F CA 0.995 59.023 58.000 0.047 0.000 1.444 89 F CB -0.433 38.684 39.000 0.195 0.000 1.114 89 F HN -0.113 nan 8.300 nan 0.000 0.576 90 T N -0.475 114.163 114.554 0.141 0.000 2.781 90 T HA 0.054 4.404 4.350 -0.001 0.000 0.252 90 T C -1.567 173.134 174.700 0.001 0.000 1.039 90 T CA 0.215 62.363 62.100 0.079 0.000 1.147 90 T CB -0.954 67.965 68.868 0.085 0.000 0.865 90 T HN -0.147 nan 8.240 nan 0.000 0.423 91 P HA 0.006 nan 4.420 nan 0.000 0.266 91 P C 0.043 177.297 177.300 -0.076 0.000 1.180 91 P CA 0.358 63.425 63.100 -0.056 0.000 0.765 91 P CB 0.377 32.027 31.700 -0.084 0.000 0.806 92 R N 2.507 122.968 120.500 -0.065 0.000 2.707 92 R HA 0.101 4.441 4.340 -0.001 0.000 0.270 92 R C 1.332 177.563 176.300 -0.115 0.000 1.083 92 R CA -0.364 55.687 56.100 -0.081 0.000 1.182 92 R CB -0.216 30.053 30.300 -0.052 0.000 1.084 92 R HN 0.432 nan 8.270 nan 0.000 0.528 93 N N 1.780 120.377 118.700 -0.172 0.000 2.149 93 N HA -0.174 4.566 4.740 -0.001 0.000 0.188 93 N C 1.284 176.679 175.510 -0.191 0.000 1.019 93 N CA 1.370 54.248 53.050 -0.286 0.000 0.857 93 N CB -0.003 38.104 38.487 -0.634 0.000 0.997 93 N HN 0.456 nan 8.380 nan 0.000 0.426 94 E N 0.145 120.305 120.200 -0.067 0.000 2.130 94 E HA -0.131 4.218 4.350 -0.001 0.000 0.196 94 E C 1.734 178.338 176.600 0.006 0.000 0.998 94 E CA 0.792 57.215 56.400 0.039 0.000 0.806 94 E CB -0.151 29.583 29.700 0.057 0.000 0.738 94 E HN 0.357 nan 8.360 nan 0.000 0.459 95 I N -0.510 120.041 120.570 -0.032 0.000 2.260 95 I HA -0.056 4.113 4.170 -0.001 0.000 0.237 95 I C 0.699 176.780 176.117 -0.060 0.000 1.075 95 I CA 0.837 62.116 61.300 -0.035 0.000 1.376 95 I CB -0.184 37.792 38.000 -0.040 0.000 1.107 95 I HN -0.057 nan 8.210 nan 0.000 0.420 96 L N 0.472 121.630 121.223 -0.108 0.000 2.298 96 L HA 0.438 4.777 4.340 -0.001 0.000 0.284 96 L C -0.205 176.557 176.870 -0.179 0.000 1.013 96 L CA -0.322 54.425 54.840 -0.155 0.000 0.824 96 L CB 1.389 43.298 42.059 -0.249 0.000 1.221 96 L HN 0.051 nan 8.230 nan 0.000 0.418 97 S N 4.272 119.883 115.700 -0.148 0.000 2.501 97 S HA 0.621 5.090 4.470 -0.001 0.000 0.301 97 S C -2.025 172.457 174.600 -0.197 0.000 1.096 97 S CA -1.385 56.720 58.200 -0.158 0.000 1.063 97 S CB 1.811 64.995 63.200 -0.027 0.000 1.042 97 S HN 0.435 nan 8.310 nan 0.000 0.494 98 P HA 0.156 nan 4.420 nan 0.000 0.259 98 P C 1.211 178.339 177.300 -0.288 0.000 1.233 98 P CA -0.161 62.632 63.100 -0.512 0.000 0.827 98 P CB 0.150 31.303 31.700 -0.911 0.000 1.154 99 R N 2.016 122.507 120.500 -0.015 0.000 2.103 99 R HA -0.168 4.171 4.340 -0.001 0.000 0.234 99 R C 2.115 178.487 176.300 0.120 0.000 1.132 99 R CA 2.348 58.532 56.100 0.140 0.000 0.925 99 R CB -0.500 29.944 30.300 0.239 0.000 0.842 99 R HN 0.080 nan 8.270 nan 0.000 0.430 100 E N 0.215 120.474 120.200 0.098 0.000 2.106 100 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 100 E C 2.139 178.814 176.600 0.125 0.000 0.984 100 E CA 1.174 57.635 56.400 0.102 0.000 0.806 100 E CB -0.559 29.192 29.700 0.085 0.000 0.750 100 E HN 0.303 nan 8.360 nan 0.000 0.458 101 V N 0.441 120.428 119.914 0.122 0.000 2.515 101 V HA -0.200 3.919 4.120 -0.001 0.000 0.250 101 V C 1.268 177.638 176.094 0.461 0.000 1.058 101 V CA 1.350 63.781 62.300 0.218 0.000 1.064 101 V CB -0.632 31.293 31.823 0.170 0.000 0.675 101 V HN 0.194 nan 8.190 nan 0.000 0.461 102 Y N -0.300 119.996 120.300 -0.007 0.000 2.555 102 Y HA 0.183 4.733 4.550 -0.000 0.000 0.259 102 Y C 2.316 178.148 175.900 -0.114 0.000 1.179 102 Y CA -0.241 57.805 58.100 -0.089 0.000 1.230 102 Y CB -0.465 37.804 38.460 -0.318 0.000 1.146 102 Y HN 0.353 nan 8.280 nan 0.000 0.526 103 S N -0.540 115.246 115.700 0.144 0.000 2.507 103 S HA -0.183 4.287 4.470 -0.001 0.000 0.235 103 S C 1.660 176.249 174.600 -0.018 0.000 0.988 103 S CA 0.551 58.794 58.200 0.072 0.000 0.944 103 S CB -1.305 61.951 63.200 0.094 0.000 0.762 103 S HN 0.457 nan 8.310 nan 0.000 0.526 104 F N 0.407 120.302 119.950 -0.092 0.000 2.748 104 F HA 0.435 4.962 4.527 -0.001 0.000 0.299 104 F C 1.643 177.300 175.800 -0.239 0.000 1.154 104 F CA -0.065 57.833 58.000 -0.170 0.000 1.446 104 F CB -0.556 38.315 39.000 -0.215 0.000 1.112 104 F HN 0.132 nan 8.300 nan 0.000 0.584 105 M N -0.211 118.836 119.600 -0.923 0.000 2.428 105 M HA 0.083 4.563 4.480 -0.001 0.000 0.239 105 M C 1.669 177.531 176.300 -0.731 0.000 1.121 105 M CA -0.039 54.646 55.300 -1.024 0.000 1.019 105 M CB 0.261 32.038 32.600 -1.370 0.000 1.485 105 M HN 0.119 nan 8.290 nan 0.000 0.484 106 V N 1.768 121.482 119.914 -0.334 0.000 2.380 106 V HA -0.186 3.933 4.120 -0.001 0.000 0.251 106 V C -0.652 175.353 176.094 -0.148 0.000 1.063 106 V CA 2.056 64.275 62.300 -0.135 0.000 1.055 106 V CB -1.641 30.165 31.823 -0.029 0.000 0.657 106 V HN 0.306 nan 8.190 nan 0.000 0.455 107 P HA -0.073 nan 4.420 nan 0.000 0.222 107 P C 1.671 178.871 177.300 -0.168 0.000 1.147 107 P CA 1.094 64.109 63.100 -0.142 0.000 0.790 107 P CB 0.059 31.674 31.700 -0.141 0.000 0.780 108 V N -1.878 117.845 119.914 -0.318 0.000 2.436 108 V HA -0.054 4.066 4.120 -0.001 0.000 0.240 108 V C 2.076 178.073 176.094 -0.162 0.000 1.040 108 V CA 1.234 63.341 62.300 -0.322 0.000 1.052 108 V CB -1.104 30.380 31.823 -0.565 0.000 0.707 108 V HN 0.003 nan 8.190 nan 0.000 0.469 109 F N 0.975 120.859 119.950 -0.110 0.000 2.128 109 F HA 0.369 4.896 4.527 -0.000 0.000 0.295 109 F C 1.435 177.169 175.800 -0.109 0.000 1.100 109 F CA 0.877 58.821 58.000 -0.094 0.000 1.260 109 F CB -0.248 38.708 39.000 -0.073 0.000 1.009 109 F HN 0.384 nan 8.300 nan 0.000 0.476 110 G N 0.538 109.403 108.800 0.108 0.000 2.539 110 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.686 110 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.686 110 G C -1.073 173.951 174.900 0.207 0.000 1.258 110 G CA -1.232 43.950 45.100 0.137 0.000 0.846 110 G HN 0.033 nan 8.290 nan 0.000 0.647 111 E N 0.123 120.468 120.200 0.241 0.000 2.502 111 E HA 0.351 4.701 4.350 -0.001 0.000 0.261 111 E C 1.419 178.148 176.600 0.214 0.000 0.974 111 E CA 1.120 57.622 56.400 0.170 0.000 0.936 111 E CB 0.477 30.229 29.700 0.085 0.000 0.926 111 E HN 2.321 nan 8.360 nan 0.000 0.459 112 G N 1.682 110.565 108.800 0.138 0.000 2.258 112 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.274 112 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.274 112 G C 0.024 175.002 174.900 0.130 0.000 1.021 112 G CA 0.446 45.616 45.100 0.117 0.000 0.798 112 G HN 0.347 nan 8.290 nan 0.000 0.507 113 V N -0.617 119.377 119.914 0.132 0.000 2.680 113 V HA 0.842 4.962 4.120 -0.001 0.000 0.309 113 V C 1.181 177.287 176.094 0.019 0.000 1.052 113 V CA 0.373 62.718 62.300 0.074 0.000 0.908 113 V CB 1.174 33.022 31.823 0.041 0.000 1.001 113 V HN 2.204 nan 8.190 nan 0.000 0.431 114 A N 4.055 126.815 122.820 -0.099 0.000 5.479 114 A HA -0.308 4.011 4.320 -0.001 0.000 0.301 114 A C 0.981 178.464 177.584 -0.168 0.000 1.961 114 A CA 2.031 53.882 52.037 -0.309 0.000 0.716 114 A CB -1.905 16.756 19.000 -0.566 0.000 1.266 114 A HN 1.059 nan 8.150 nan 0.000 0.372 115 Y N -0.360 119.991 120.300 0.085 0.000 2.274 115 Y HA 0.038 4.588 4.550 -0.001 0.000 0.290 115 Y C 2.907 178.893 175.900 0.144 0.000 1.145 115 Y CA 1.820 59.998 58.100 0.130 0.000 1.203 115 Y CB -0.575 37.972 38.460 0.145 0.000 0.984 115 Y HN 0.795 nan 8.280 nan 0.000 0.533 116 A N 0.489 123.471 122.820 0.269 0.000 2.125 116 A HA 0.124 4.444 4.320 -0.001 0.000 0.219 116 A C 1.546 179.208 177.584 0.130 0.000 1.156 116 A CA 0.915 53.064 52.037 0.187 0.000 0.671 116 A CB -0.928 18.173 19.000 0.169 0.000 0.794 116 A HN 0.311 nan 8.150 nan 0.000 0.459 117 A N -0.350 122.540 122.820 0.117 0.000 2.252 117 A HA 0.638 4.958 4.320 -0.001 0.000 0.305 117 A C -2.671 174.950 177.584 0.062 0.000 1.097 117 A CA -1.831 50.249 52.037 0.073 0.000 0.849 117 A CB 0.068 19.105 19.000 0.062 0.000 1.142 117 A HN 0.145 nan 8.150 nan 0.000 0.499 118 P HA 0.132 nan 4.420 nan 0.000 0.271 118 P C -0.104 177.205 177.300 0.015 0.000 1.218 118 P CA 0.073 63.107 63.100 -0.110 0.000 0.780 118 P CB 0.141 31.775 31.700 -0.111 0.000 0.901 119 Y N 3.166 123.478 120.300 0.020 0.000 2.128 119 Y HA -0.141 4.409 4.550 -0.001 0.000 0.284 119 Y C -0.525 175.373 175.900 -0.003 0.000 1.154 119 Y CA 1.558 59.669 58.100 0.019 0.000 1.149 119 Y CB -2.945 35.526 38.460 0.018 0.000 0.976 119 Y HN 0.466 nan 8.280 nan 0.000 0.505 120 P HA -0.136 nan 4.420 nan 0.000 0.216 120 P C 1.695 179.031 177.300 0.060 0.000 1.153 120 P CA 1.900 65.044 63.100 0.073 0.000 0.848 120 P CB 0.044 31.768 31.700 0.041 0.000 0.787 121 R N -0.323 120.209 120.500 0.053 0.000 2.073 121 R HA -0.095 4.245 4.340 -0.001 0.000 0.234 121 R C 2.341 178.700 176.300 0.099 0.000 1.134 121 R CA 1.653 57.800 56.100 0.080 0.000 0.952 121 R CB -1.397 28.910 30.300 0.012 0.000 0.850 121 R HN 0.087 nan 8.270 nan 0.000 0.433 122 M N -0.256 119.386 119.600 0.070 0.000 2.065 122 M HA -0.245 4.235 4.480 -0.001 0.000 0.259 122 M C 2.188 178.457 176.300 -0.051 0.000 1.069 122 M CA 2.119 57.429 55.300 0.018 0.000 1.110 122 M CB -0.212 32.438 32.600 0.084 0.000 1.328 122 M HN 0.074 nan 8.290 nan 0.000 0.405 123 R N 0.640 121.121 120.500 -0.032 0.000 2.094 123 R HA -0.172 4.168 4.340 -0.001 0.000 0.239 123 R C 1.827 177.999 176.300 -0.213 0.000 1.137 123 R CA 2.531 58.571 56.100 -0.100 0.000 0.943 123 R CB -0.611 29.648 30.300 -0.069 0.000 0.850 123 R HN 0.596 nan 8.270 nan 0.000 0.433 124 E N -0.239 119.810 120.200 -0.250 0.000 2.110 124 E HA -0.245 4.105 4.350 -0.001 0.000 0.193 124 E C 2.145 178.175 176.600 -0.949 0.000 0.988 124 E CA 1.384 57.404 56.400 -0.633 0.000 0.804 124 E CB -0.090 29.343 29.700 -0.444 0.000 0.745 124 E HN 0.548 nan 8.360 nan 0.000 0.458 125 Q N 0.435 120.015 119.800 -0.367 0.000 2.079 125 Q HA -0.102 4.238 4.340 -0.001 0.000 0.200 125 Q C 2.405 178.312 176.000 -0.154 0.000 0.974 125 Q CA 0.924 56.640 55.803 -0.145 0.000 0.840 125 Q CB -0.055 28.677 28.738 -0.010 0.000 0.898 125 Q HN 0.299 nan 8.270 nan 0.000 0.430 126 L N 0.748 121.856 121.223 -0.191 0.000 2.046 126 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 126 L C 1.928 178.718 176.870 -0.134 0.000 1.077 126 L CA 0.801 55.553 54.840 -0.147 0.000 0.747 126 L CB -0.509 41.470 42.059 -0.132 0.000 0.896 126 L HN 0.233 nan 8.230 nan 0.000 0.432 127 N N 0.295 118.857 118.700 -0.230 0.000 2.061 127 N HA -0.199 4.540 4.740 -0.001 0.000 0.193 127 N C 1.772 177.215 175.510 -0.112 0.000 1.030 127 N CA 1.581 54.500 53.050 -0.218 0.000 0.856 127 N CB -0.549 37.731 38.487 -0.344 0.000 1.023 127 N HN 0.270 nan 8.380 nan 0.000 0.424 128 F N -0.024 119.865 119.950 -0.102 0.000 2.202 128 F HA -0.137 4.390 4.527 -0.001 0.000 0.301 128 F C 2.082 177.825 175.800 -0.095 0.000 1.082 128 F CA 0.066 57.996 58.000 -0.116 0.000 1.313 128 F CB -0.102 38.802 39.000 -0.160 0.000 1.024 128 F HN 0.072 nan 8.300 nan 0.000 0.495 129 L N 0.470 121.744 121.223 0.085 0.000 2.131 129 L HA 0.039 4.379 4.340 -0.001 0.000 0.206 129 L C 2.365 179.240 176.870 0.007 0.000 1.087 129 L CA 1.634 56.490 54.840 0.027 0.000 0.767 129 L CB -1.136 40.923 42.059 -0.001 0.000 0.917 129 L HN 0.003 nan 8.230 nan 0.000 0.441 130 A N -0.496 122.324 122.820 -0.000 0.000 1.865 130 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 130 A C 2.152 179.723 177.584 -0.021 0.000 1.191 130 A CA 1.895 53.930 52.037 -0.004 0.000 0.623 130 A CB -0.735 18.255 19.000 -0.015 0.000 0.826 130 A HN 0.577 nan 8.150 nan 0.000 0.444 131 E N -0.370 119.820 120.200 -0.017 0.000 2.409 131 E HA -0.116 4.234 4.350 -0.001 0.000 0.198 131 E C 1.149 177.703 176.600 -0.076 0.000 1.024 131 E CA 0.647 57.023 56.400 -0.041 0.000 0.861 131 E CB 0.042 29.738 29.700 -0.008 0.000 0.788 131 E HN 0.529 nan 8.360 nan 0.000 0.521 132 E N -0.308 119.855 120.200 -0.061 0.000 2.474 132 E HA 0.046 4.395 4.350 -0.001 0.000 0.194 132 E C 1.039 177.561 176.600 -0.130 0.000 1.041 132 E CA 0.319 56.667 56.400 -0.088 0.000 0.874 132 E CB 0.589 30.260 29.700 -0.048 0.000 0.914 132 E HN 0.287 nan 8.360 nan 0.000 0.498 133 L N 0.978 122.131 121.223 -0.116 0.000 3.122 133 L HA 0.116 4.456 4.340 -0.001 0.000 0.274 133 L C 0.751 177.548 176.870 -0.121 0.000 1.222 133 L CA -0.161 54.632 54.840 -0.079 0.000 1.028 133 L CB 0.604 42.682 42.059 0.030 0.000 1.386 133 L HN -0.052 nan 8.230 nan 0.000 0.578 134 T N -2.664 111.726 114.554 -0.274 0.000 2.766 134 T HA 0.127 4.477 4.350 -0.001 0.000 0.295 134 T C 1.560 175.844 174.700 -0.694 0.000 1.024 134 T CA -0.128 61.800 62.100 -0.288 0.000 1.018 134 T CB 1.456 70.199 68.868 -0.208 0.000 1.002 134 T HN 0.003 nan 8.240 nan 0.000 0.532 135 V N -1.272 118.426 119.914 -0.360 0.000 2.970 135 V HA 0.133 4.252 4.120 -0.001 0.000 0.260 135 V C 2.711 178.503 176.094 -0.503 0.000 1.100 135 V CA 1.200 63.331 62.300 -0.281 0.000 1.122 135 V CB -1.928 30.037 31.823 0.236 0.000 0.721 135 V HN 1.025 nan 8.190 nan 0.000 0.483 136 A N 0.267 122.822 122.820 -0.442 0.000 2.168 136 A HA 0.009 4.328 4.320 -0.001 0.000 0.215 136 A C 1.905 179.187 177.584 -0.505 0.000 1.152 136 A CA 0.961 52.777 52.037 -0.368 0.000 0.716 136 A CB -0.312 18.549 19.000 -0.232 0.000 0.794 136 A HN 0.512 nan 8.150 nan 0.000 0.465 137 K N -0.767 119.156 120.400 -0.795 0.000 2.446 137 K HA 0.209 4.529 4.320 -0.001 0.000 0.203 137 K C -0.424 175.572 176.600 -1.007 0.000 1.027 137 K CA 0.043 55.872 56.287 -0.763 0.000 1.166 137 K CB -0.067 32.017 32.500 -0.694 0.000 0.869 137 K HN 0.470 nan 8.250 nan 0.000 0.504 138 F N 0.708 120.155 119.950 -0.839 0.000 2.682 138 F HA 0.182 4.708 4.527 -0.001 0.000 0.308 138 F C 2.241 177.682 175.800 -0.598 0.000 1.093 138 F CA -0.843 56.535 58.000 -1.037 0.000 1.244 138 F CB -0.122 38.420 39.000 -0.764 0.000 1.052 138 F HN 0.099 nan 8.300 nan 0.000 0.573 139 Q N 1.926 121.533 119.800 -0.322 0.000 2.047 139 Q HA -0.292 4.048 4.340 -0.001 0.000 0.211 139 Q C 1.136 177.161 176.000 0.041 0.000 1.005 139 Q CA 2.718 58.430 55.803 -0.152 0.000 0.866 139 Q CB -0.196 28.485 28.738 -0.097 0.000 0.938 139 Q HN 0.446 nan 8.270 nan 0.000 0.414 140 N N -0.941 117.839 118.700 0.135 0.000 2.279 140 N HA 0.026 4.766 4.740 -0.001 0.000 0.226 140 N C 0.247 175.952 175.510 0.325 0.000 1.126 140 N CA 0.020 53.184 53.050 0.190 0.000 0.846 140 N CB -0.045 38.521 38.487 0.131 0.000 1.050 140 N HN 0.159 nan 8.380 nan 0.000 0.502 141 F N 1.294 121.285 119.950 0.069 0.000 2.128 141 F HA 0.239 4.766 4.527 -0.000 0.000 0.295 141 F C 2.483 178.296 175.800 0.022 0.000 1.100 141 F CA 0.475 58.518 58.000 0.072 0.000 1.260 141 F CB -0.925 38.144 39.000 0.115 0.000 1.009 141 F HN 0.222 nan 8.300 nan 0.000 0.476 142 A N 0.640 123.599 122.820 0.232 0.000 1.873 142 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 142 A C -0.103 177.525 177.584 0.072 0.000 1.193 142 A CA 2.054 54.158 52.037 0.112 0.000 0.629 142 A CB -2.132 16.939 19.000 0.118 0.000 0.826 142 A HN 0.245 nan 8.150 nan 0.000 0.447 143 P HA -0.076 nan 4.420 nan 0.000 0.216 143 P C 1.702 179.037 177.300 0.060 0.000 1.153 143 P CA 1.789 64.929 63.100 0.068 0.000 0.848 143 P CB -0.144 31.595 31.700 0.065 0.000 0.787 144 S N -0.715 115.010 115.700 0.041 0.000 2.368 144 S HA -0.108 4.362 4.470 -0.001 0.000 0.225 144 S C 1.895 176.503 174.600 0.013 0.000 1.030 144 S CA 1.024 59.230 58.200 0.009 0.000 0.999 144 S CB -1.106 62.061 63.200 -0.055 0.000 0.844 144 S HN 0.102 nan 8.310 nan 0.000 0.459 145 I N 1.704 122.261 120.570 -0.022 0.000 2.127 145 I HA -0.286 3.884 4.170 -0.001 0.000 0.241 145 I C 2.758 178.862 176.117 -0.021 0.000 1.075 145 I CA 1.412 62.680 61.300 -0.054 0.000 1.334 145 I CB -0.519 37.433 38.000 -0.081 0.000 1.040 145 I HN 0.322 nan 8.210 nan 0.000 0.405 146 Q N -0.377 119.429 119.800 0.010 0.000 2.112 146 Q HA -0.315 4.024 4.340 -0.001 0.000 0.206 146 Q C 2.189 178.212 176.000 0.039 0.000 0.987 146 Q CA 2.156 57.973 55.803 0.023 0.000 0.858 146 Q CB -0.376 28.386 28.738 0.040 0.000 0.905 146 Q HN 0.566 nan 8.270 nan 0.000 0.420 147 H N 0.663 119.721 119.070 -0.020 0.000 2.319 147 H HA -0.115 4.441 4.556 -0.001 0.000 0.299 147 H C 1.865 177.177 175.328 -0.026 0.000 1.092 147 H CA 1.700 57.737 56.048 -0.017 0.000 1.302 147 H CB 0.287 30.040 29.762 -0.015 0.000 1.373 147 H HN 0.145 nan 8.280 nan 0.000 0.497 148 E N -0.079 120.116 120.200 -0.009 0.000 2.106 148 E HA -0.099 4.250 4.350 -0.001 0.000 0.192 148 E C 2.591 179.128 176.600 -0.105 0.000 0.984 148 E CA 0.992 57.350 56.400 -0.070 0.000 0.806 148 E CB -0.323 29.351 29.700 -0.044 0.000 0.750 148 E HN 0.379 nan 8.360 nan 0.000 0.458 149 V N 1.264 121.118 119.914 -0.100 0.000 2.343 149 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 149 V C 2.429 178.464 176.094 -0.098 0.000 1.051 149 V CA 1.853 64.086 62.300 -0.112 0.000 1.036 149 V CB -0.443 31.333 31.823 -0.079 0.000 0.654 149 V HN 0.140 nan 8.190 nan 0.000 0.451 150 R N 0.017 120.461 120.500 -0.094 0.000 2.062 150 R HA -0.119 4.221 4.340 -0.001 0.000 0.229 150 R C 2.476 178.688 176.300 -0.147 0.000 1.128 150 R CA 1.462 57.507 56.100 -0.091 0.000 0.960 150 R CB -0.396 29.863 30.300 -0.068 0.000 0.855 150 R HN 0.431 nan 8.270 nan 0.000 0.432 151 K N 0.192 120.462 120.400 -0.217 0.000 2.113 151 K HA -0.229 4.091 4.320 -0.001 0.000 0.208 151 K C 1.838 178.342 176.600 -0.160 0.000 1.047 151 K CA 1.683 57.842 56.287 -0.214 0.000 0.928 151 K CB -0.167 32.173 32.500 -0.267 0.000 0.716 151 K HN 0.142 nan 8.250 nan 0.000 0.446 152 F N 0.974 120.742 119.950 -0.303 0.000 2.187 152 F HA -0.054 4.472 4.527 -0.001 0.000 0.295 152 F C 2.071 177.524 175.800 -0.578 0.000 1.091 152 F CA 1.095 58.868 58.000 -0.378 0.000 1.308 152 F CB -0.030 38.739 39.000 -0.385 0.000 1.030 152 F HN -0.045 nan 8.300 nan 0.000 0.487 153 M N 0.266 119.574 119.600 -0.486 0.000 2.067 153 M HA -0.225 4.255 4.480 -0.001 0.000 0.260 153 M C 2.285 178.334 176.300 -0.419 0.000 1.069 153 M CA 1.924 56.771 55.300 -0.755 0.000 1.117 153 M CB -0.577 31.811 32.600 -0.352 0.000 1.334 153 M HN 0.034 nan 8.290 nan 0.000 0.407 154 K N 0.203 120.477 120.400 -0.210 0.000 2.283 154 K HA -0.052 4.268 4.320 -0.001 0.000 0.202 154 K C 1.771 178.272 176.600 -0.164 0.000 1.048 154 K CA 1.079 57.302 56.287 -0.107 0.000 0.948 154 K CB 0.064 32.525 32.500 -0.066 0.000 0.742 154 K HN 0.296 nan 8.250 nan 0.000 0.458 155 A N 0.457 123.104 122.820 -0.288 0.000 1.975 155 A HA -0.021 4.299 4.320 -0.001 0.000 0.215 155 A C 1.291 178.662 177.584 -0.356 0.000 1.170 155 A CA 1.258 53.124 52.037 -0.285 0.000 0.656 155 A CB -0.112 18.711 19.000 -0.296 0.000 0.821 155 A HN 0.395 nan 8.150 nan 0.000 0.449 156 N N -2.469 115.867 118.700 -0.607 0.000 2.382 156 N HA 0.059 4.799 4.740 -0.001 0.000 0.200 156 N C -0.006 175.410 175.510 -0.157 0.000 1.122 156 N CA 0.015 52.731 53.050 -0.557 0.000 0.870 156 N CB 0.357 38.158 38.487 -1.143 0.000 1.176 156 N HN 0.558 nan 8.380 nan 0.000 0.474 157 W N 2.503 123.558 121.300 -0.408 0.000 2.817 157 W HA 0.359 5.019 4.660 -0.001 0.000 0.433 157 W C 0.373 176.860 176.519 -0.053 0.000 0.838 157 W CA -0.896 56.151 57.345 -0.497 0.000 2.356 157 W CB -1.239 27.405 29.460 -1.361 0.000 1.216 157 W HN 0.163 nan 8.180 nan 0.000 0.793 158 N N 0.934 119.746 118.700 0.187 0.000 2.575 158 N HA -0.097 4.642 4.740 -0.001 0.000 0.192 158 N C 0.140 175.774 175.510 0.206 0.000 1.200 158 N CA 0.464 53.616 53.050 0.170 0.000 0.897 158 N CB 0.066 38.593 38.487 0.066 0.000 0.990 158 N HN 0.152 nan 8.380 nan 0.000 0.449 159 K N -0.032 120.564 120.400 0.327 0.000 2.106 159 K HA 0.177 4.496 4.320 -0.001 0.000 0.246 159 K C 0.081 176.831 176.600 0.251 0.000 0.987 159 K CA -0.801 55.631 56.287 0.241 0.000 0.904 159 K CB 1.002 33.617 32.500 0.192 0.000 1.071 159 K HN -0.262 nan 8.250 nan 0.000 0.453 160 D N 1.374 121.841 120.400 0.111 0.000 2.149 160 D HA -0.159 4.481 4.640 -0.001 0.000 0.198 160 D C 0.101 176.423 176.300 0.037 0.000 0.990 160 D CA 1.543 55.580 54.000 0.061 0.000 0.839 160 D CB 0.252 41.058 40.800 0.009 0.000 0.948 160 D HN 0.616 nan 8.370 nan 0.000 0.460 161 E N -1.838 118.319 120.200 -0.071 0.000 2.390 161 E HA 0.604 4.954 4.350 -0.001 0.000 0.280 161 E C -0.678 175.547 176.600 -0.625 0.000 0.992 161 E CA -1.078 55.111 56.400 -0.351 0.000 0.790 161 E CB 1.790 31.344 29.700 -0.243 0.000 1.248 161 E HN -0.001 nan 8.360 nan 0.000 0.447 162 G N 0.696 108.710 108.800 -1.310 0.000 2.660 162 G HA2 0.395 4.355 3.960 -0.001 0.000 0.290 162 G HA3 0.395 4.355 3.960 -0.001 0.000 0.290 162 G C -1.735 172.787 174.900 -0.630 0.000 1.432 162 G CA -0.789 43.775 45.100 -0.894 0.000 0.807 162 G HN 0.553 nan 8.290 nan 0.000 0.485 163 E N -0.021 120.037 120.200 -0.237 0.000 2.134 163 E HA 0.600 4.949 4.350 -0.001 0.000 0.278 163 E C -0.169 176.433 176.600 0.004 0.000 0.959 163 E CA -0.697 55.640 56.400 -0.106 0.000 0.783 163 E CB 1.061 30.718 29.700 -0.072 0.000 1.095 163 E HN 0.590 nan 8.360 nan 0.000 0.399 164 I N 1.050 121.637 120.570 0.028 0.000 3.095 164 I HA 0.492 4.662 4.170 -0.001 0.000 0.310 164 I C -1.098 175.039 176.117 0.034 0.000 1.196 164 I CA -1.185 60.161 61.300 0.077 0.000 0.985 164 I CB 2.205 40.282 38.000 0.128 0.000 1.250 164 I HN 0.318 nan 8.210 nan 0.000 0.446 165 N N 3.125 121.855 118.700 0.050 0.000 2.521 165 N HA 0.159 4.899 4.740 -0.001 0.000 0.236 165 N C 0.518 176.026 175.510 -0.003 0.000 1.067 165 N CA -0.251 52.800 53.050 0.002 0.000 0.939 165 N CB 0.995 39.482 38.487 -0.001 0.000 1.201 165 N HN 0.825 nan 8.380 nan 0.000 0.511 166 I N 4.146 124.676 120.570 -0.067 0.000 2.502 166 I HA -0.233 3.936 4.170 -0.001 0.000 0.258 166 I C 1.730 177.779 176.117 -0.114 0.000 1.172 166 I CA 0.840 62.074 61.300 -0.109 0.000 1.430 166 I CB -0.073 37.775 38.000 -0.253 0.000 1.086 166 I HN 0.580 nan 8.210 nan 0.000 0.440 167 L N 0.125 121.268 121.223 -0.134 0.000 2.023 167 L HA -0.156 4.184 4.340 -0.001 0.000 0.205 167 L C 2.044 178.858 176.870 -0.094 0.000 1.073 167 L CA 1.919 56.667 54.840 -0.153 0.000 0.745 167 L CB -1.054 40.895 42.059 -0.184 0.000 0.900 167 L HN 0.167 nan 8.230 nan 0.000 0.435 168 D N -0.113 120.260 120.400 -0.046 0.000 2.104 168 D HA -0.191 4.448 4.640 -0.001 0.000 0.194 168 D C 1.813 178.109 176.300 -0.006 0.000 0.994 168 D CA 1.565 55.559 54.000 -0.010 0.000 0.830 168 D CB -0.215 40.605 40.800 0.032 0.000 0.959 168 D HN 0.396 nan 8.370 nan 0.000 0.452 169 D N -0.772 119.664 120.400 0.060 0.000 2.144 169 D HA -0.085 4.555 4.640 -0.001 0.000 0.200 169 D C 2.087 178.245 176.300 -0.237 0.000 0.978 169 D CA 0.491 54.530 54.000 0.064 0.000 0.833 169 D CB -0.383 40.709 40.800 0.486 0.000 0.961 169 D HN 0.229 nan 8.370 nan 0.000 0.470 170 C N -0.278 118.938 119.300 -0.139 0.000 2.457 170 C HA -0.030 4.430 4.460 -0.001 0.000 0.278 170 C C 2.940 177.803 174.990 -0.212 0.000 1.309 170 C CA 0.690 59.593 59.018 -0.191 0.000 1.735 170 C CB -0.775 26.877 27.740 -0.146 0.000 1.992 170 C HN 0.326 nan 8.230 nan 0.000 0.493 171 S N 0.849 116.450 115.700 -0.165 0.000 2.353 171 S HA -0.177 4.293 4.470 -0.001 0.000 0.222 171 S C 2.083 176.580 174.600 -0.173 0.000 1.035 171 S CA 1.856 59.972 58.200 -0.140 0.000 1.025 171 S CB -0.355 62.795 63.200 -0.083 0.000 0.902 171 S HN 0.618 nan 8.310 nan 0.000 0.440 172 A N 1.338 124.032 122.820 -0.211 0.000 1.877 172 A HA -0.069 4.251 4.320 -0.001 0.000 0.216 172 A C 2.298 179.669 177.584 -0.354 0.000 1.186 172 A CA 1.840 53.733 52.037 -0.240 0.000 0.620 172 A CB -0.727 18.140 19.000 -0.223 0.000 0.822 172 A HN 0.640 nan 8.150 nan 0.000 0.443 173 M N -0.630 118.631 119.600 -0.565 0.000 2.117 173 M HA -0.116 4.364 4.480 -0.001 0.000 0.262 173 M C 1.969 178.100 176.300 -0.282 0.000 1.065 173 M CA 1.205 56.209 55.300 -0.495 0.000 1.114 173 M CB -0.413 31.853 32.600 -0.557 0.000 1.361 173 M HN 0.317 nan 8.290 nan 0.000 0.408 174 I N -0.068 120.357 120.570 -0.242 0.000 2.226 174 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 174 I C 2.457 178.483 176.117 -0.152 0.000 1.100 174 I CA 1.445 62.633 61.300 -0.185 0.000 1.374 174 I CB -1.016 36.883 38.000 -0.168 0.000 1.057 174 I HN 0.278 nan 8.210 nan 0.000 0.413 175 I N 1.616 122.106 120.570 -0.133 0.000 2.315 175 I HA -0.247 3.923 4.170 -0.001 0.000 0.248 175 I C 2.085 178.153 176.117 -0.083 0.000 1.117 175 I CA 1.444 62.699 61.300 -0.075 0.000 1.404 175 I CB -0.580 37.411 38.000 -0.015 0.000 1.071 175 I HN 0.173 nan 8.210 nan 0.000 0.419 176 N N 0.189 118.828 118.700 -0.102 0.000 2.039 176 N HA -0.180 4.560 4.740 -0.001 0.000 0.193 176 N C 2.000 177.438 175.510 -0.119 0.000 1.044 176 N CA 2.393 55.390 53.050 -0.089 0.000 0.847 176 N CB -1.131 37.301 38.487 -0.090 0.000 1.030 176 N HN 0.571 nan 8.380 nan 0.000 0.422 177 T N -1.059 113.410 114.554 -0.141 0.000 2.684 177 T HA -0.056 4.294 4.350 -0.001 0.000 0.267 177 T C 2.001 176.593 174.700 -0.181 0.000 1.036 177 T CA 1.700 63.708 62.100 -0.153 0.000 1.148 177 T CB -0.711 68.058 68.868 -0.164 0.000 0.863 177 T HN 0.191 nan 8.240 nan 0.000 0.436 178 A N 1.131 123.856 122.820 -0.157 0.000 1.859 178 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 178 A C 2.900 180.259 177.584 -0.375 0.000 1.198 178 A CA 1.988 53.947 52.037 -0.131 0.000 0.629 178 A CB -1.631 17.315 19.000 -0.091 0.000 0.830 178 A HN 0.755 nan 8.150 nan 0.000 0.446 179 C N -1.518 117.508 119.300 -0.458 0.000 2.388 179 C HA -0.153 4.307 4.460 -0.001 0.000 0.277 179 C C 2.851 177.572 174.990 -0.449 0.000 1.210 179 C CA 1.518 60.113 59.018 -0.704 0.000 1.743 179 C CB -1.328 26.219 27.740 -0.322 0.000 2.047 179 C HN 0.783 nan 8.230 nan 0.000 0.458 180 Q N -0.073 119.579 119.800 -0.246 0.000 2.217 180 Q HA -0.214 4.126 4.340 -0.001 0.000 0.209 180 Q C 1.970 177.813 176.000 -0.262 0.000 0.988 180 Q CA 2.333 58.032 55.803 -0.174 0.000 0.878 180 Q CB -0.574 28.092 28.738 -0.119 0.000 0.909 180 Q HN 0.747 nan 8.270 nan 0.000 0.424 181 C N -1.425 117.626 119.300 -0.415 0.000 2.512 181 C HA 0.194 4.654 4.460 -0.001 0.000 0.276 181 C C 2.155 176.794 174.990 -0.584 0.000 1.368 181 C CA 0.131 58.700 59.018 -0.749 0.000 1.755 181 C CB -0.467 26.646 27.740 -1.046 0.000 2.008 181 C HN 0.517 nan 8.230 nan 0.000 0.511 182 L N -1.968 118.987 121.223 -0.448 0.000 2.575 182 L HA 0.318 4.658 4.340 -0.001 0.000 0.228 182 L C 0.109 176.956 176.870 -0.038 0.000 1.075 182 L CA 0.259 54.928 54.840 -0.284 0.000 0.867 182 L CB -0.006 41.794 42.059 -0.432 0.000 1.097 182 L HN 0.220 nan 8.230 nan 0.000 0.485 183 F N 0.354 120.222 119.950 -0.137 0.000 2.421 183 F HA 0.478 5.005 4.527 -0.000 0.000 0.337 183 F C 1.170 176.922 175.800 -0.080 0.000 1.105 183 F CA -1.160 56.771 58.000 -0.115 0.000 1.049 183 F CB 1.179 40.090 39.000 -0.148 0.000 1.139 183 F HN -0.140 nan 8.300 nan 0.000 0.479 184 G N 1.432 110.315 108.800 0.138 0.000 2.569 184 G HA2 0.042 4.002 3.960 -0.001 0.000 0.249 184 G HA3 0.042 4.002 3.960 -0.001 0.000 0.249 184 G C 0.673 175.599 174.900 0.044 0.000 1.216 184 G CA -0.346 44.790 45.100 0.061 0.000 0.845 184 G HN 0.871 nan 8.290 nan 0.000 0.568 185 E N 0.316 120.530 120.200 0.024 0.000 2.049 185 E HA -0.274 4.076 4.350 -0.001 0.000 0.198 185 E C 1.987 178.591 176.600 0.007 0.000 1.007 185 E CA 1.936 58.345 56.400 0.015 0.000 0.809 185 E CB -0.102 29.601 29.700 0.005 0.000 0.749 185 E HN 0.627 nan 8.360 nan 0.000 0.450 186 D N 0.739 121.138 120.400 -0.002 0.000 2.228 186 D HA -0.221 4.419 4.640 -0.001 0.000 0.203 186 D C 2.049 178.334 176.300 -0.025 0.000 0.988 186 D CA 0.843 54.836 54.000 -0.011 0.000 0.864 186 D CB -0.491 40.300 40.800 -0.015 0.000 0.928 186 D HN 0.303 nan 8.370 nan 0.000 0.469 187 L N 0.541 121.742 121.223 -0.036 0.000 2.049 187 L HA 0.084 4.424 4.340 -0.001 0.000 0.203 187 L C 2.356 179.191 176.870 -0.058 0.000 1.074 187 L CA 1.395 56.183 54.840 -0.088 0.000 0.749 187 L CB -0.528 41.426 42.059 -0.175 0.000 0.907 187 L HN -0.161 nan 8.230 nan 0.000 0.439 188 R N -0.374 120.126 120.500 0.001 0.000 2.200 188 R HA -0.126 4.213 4.340 -0.001 0.000 0.234 188 R C 2.048 178.363 176.300 0.025 0.000 1.127 188 R CA 0.759 56.883 56.100 0.039 0.000 0.989 188 R CB -0.321 30.020 30.300 0.069 0.000 0.869 188 R HN 0.336 nan 8.270 nan 0.000 0.459 189 K N 0.750 121.156 120.400 0.010 0.000 1.985 189 K HA -0.146 4.173 4.320 -0.001 0.000 0.210 189 K C 2.071 178.675 176.600 0.007 0.000 1.047 189 K CA 1.230 57.523 56.287 0.009 0.000 0.932 189 K CB -0.285 32.216 32.500 0.002 0.000 0.716 189 K HN -0.018 nan 8.250 nan 0.000 0.439 190 R N 0.787 121.283 120.500 -0.006 0.000 2.092 190 R HA -0.018 4.322 4.340 -0.001 0.000 0.231 190 R C 0.107 176.409 176.300 0.002 0.000 1.119 190 R CA 0.968 57.064 56.100 -0.007 0.000 0.970 190 R CB -0.281 30.005 30.300 -0.023 0.000 0.864 190 R HN 0.041 nan 8.270 nan 0.000 0.440 191 L N 1.702 122.923 121.223 -0.003 0.000 2.381 191 L HA 0.344 4.684 4.340 -0.001 0.000 0.274 191 L C -1.244 175.665 176.870 0.064 0.000 0.988 191 L CA -0.794 54.064 54.840 0.030 0.000 0.824 191 L CB 1.656 43.714 42.059 -0.003 0.000 1.263 191 L HN 0.334 nan 8.230 nan 0.000 0.410 192 D N 3.212 123.668 120.400 0.093 0.000 2.385 192 D HA 0.309 4.949 4.640 -0.001 0.000 0.254 192 D C 0.563 176.961 176.300 0.163 0.000 1.053 192 D CA -0.085 53.979 54.000 0.107 0.000 0.992 192 D CB 1.910 42.757 40.800 0.078 0.000 1.145 192 D HN 0.547 nan 8.370 nan 0.000 0.523 193 A N 0.825 123.729 122.820 0.140 0.000 2.070 193 A HA -0.168 4.152 4.320 -0.001 0.000 0.220 193 A C 2.251 179.940 177.584 0.176 0.000 1.159 193 A CA 1.051 53.187 52.037 0.164 0.000 0.656 193 A CB -0.528 18.519 19.000 0.079 0.000 0.800 193 A HN 0.638 nan 8.150 nan 0.000 0.453 194 R N -0.792 119.784 120.500 0.127 0.000 2.062 194 R HA -0.075 4.265 4.340 -0.001 0.000 0.226 194 R C 2.381 178.744 176.300 0.106 0.000 1.125 194 R CA 1.479 57.639 56.100 0.101 0.000 0.966 194 R CB -0.210 30.134 30.300 0.073 0.000 0.861 194 R HN 0.705 nan 8.270 nan 0.000 0.433 195 Q N -0.676 119.194 119.800 0.118 0.000 2.079 195 Q HA -0.176 4.163 4.340 -0.001 0.000 0.200 195 Q C 1.859 177.937 176.000 0.130 0.000 0.974 195 Q CA 1.636 57.500 55.803 0.103 0.000 0.840 195 Q CB -0.183 28.611 28.738 0.094 0.000 0.898 195 Q HN 0.270 nan 8.270 nan 0.000 0.430 196 F N 1.346 121.334 119.950 0.062 0.000 2.069 196 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 196 F C 2.223 178.071 175.800 0.079 0.000 1.113 196 F CA 1.480 59.531 58.000 0.084 0.000 1.214 196 F CB -0.330 38.762 39.000 0.153 0.000 0.978 196 F HN 0.025 nan 8.300 nan 0.000 0.474 197 A N -0.305 122.605 122.820 0.149 0.000 1.986 197 A HA -0.319 4.000 4.320 -0.001 0.000 0.220 197 A C 2.133 179.683 177.584 -0.056 0.000 1.171 197 A CA 2.021 54.075 52.037 0.028 0.000 0.640 197 A CB -1.052 18.003 19.000 0.092 0.000 0.811 197 A HN 0.653 nan 8.150 nan 0.000 0.451 198 Q N -0.745 119.038 119.800 -0.029 0.000 2.167 198 Q HA -0.049 4.291 4.340 -0.001 0.000 0.202 198 Q C 1.910 177.865 176.000 -0.075 0.000 0.970 198 Q CA 1.265 57.050 55.803 -0.029 0.000 0.855 198 Q CB -0.186 28.553 28.738 0.001 0.000 0.911 198 Q HN 0.745 nan 8.270 nan 0.000 0.438 199 L N -0.473 120.657 121.223 -0.155 0.000 2.068 199 L HA -0.121 4.219 4.340 -0.001 0.000 0.204 199 L C 2.260 178.999 176.870 -0.218 0.000 1.076 199 L CA 0.526 55.255 54.840 -0.184 0.000 0.753 199 L CB -0.412 41.512 42.059 -0.226 0.000 0.910 199 L HN 0.281 nan 8.230 nan 0.000 0.439 200 L N 0.033 121.038 121.223 -0.363 0.000 2.021 200 L HA -0.312 4.027 4.340 -0.001 0.000 0.215 200 L C 2.856 179.703 176.870 -0.038 0.000 1.074 200 L CA 1.529 56.248 54.840 -0.201 0.000 0.760 200 L CB -0.477 41.467 42.059 -0.191 0.000 0.889 200 L HN 0.314 nan 8.230 nan 0.000 0.433 201 A N -0.218 122.581 122.820 -0.035 0.000 1.851 201 A HA -0.292 4.027 4.320 -0.001 0.000 0.216 201 A C 2.253 179.839 177.584 0.003 0.000 1.195 201 A CA 2.136 54.180 52.037 0.012 0.000 0.622 201 A CB -0.547 18.457 19.000 0.007 0.000 0.831 201 A HN 0.321 nan 8.150 nan 0.000 0.444 202 K N -1.176 119.213 120.400 -0.019 0.000 2.059 202 K HA -0.192 4.128 4.320 -0.001 0.000 0.212 202 K C 2.159 178.750 176.600 -0.016 0.000 1.050 202 K CA 2.213 58.491 56.287 -0.014 0.000 0.927 202 K CB -0.293 32.195 32.500 -0.020 0.000 0.714 202 K HN 0.545 nan 8.250 nan 0.000 0.447 203 M N 0.026 119.608 119.600 -0.031 0.000 2.132 203 M HA -0.156 4.324 4.480 -0.001 0.000 0.263 203 M C 1.799 178.077 176.300 -0.037 0.000 1.065 203 M CA 1.515 56.790 55.300 -0.041 0.000 1.122 203 M CB -0.080 32.487 32.600 -0.055 0.000 1.365 203 M HN 0.127 nan 8.290 nan 0.000 0.411 204 E N 0.114 120.319 120.200 0.007 0.000 2.265 204 E HA -0.141 4.208 4.350 -0.001 0.000 0.196 204 E C 1.856 178.466 176.600 0.017 0.000 0.996 204 E CA 1.358 57.783 56.400 0.041 0.000 0.832 204 E CB -0.125 29.674 29.700 0.165 0.000 0.756 204 E HN 0.512 nan 8.360 nan 0.000 0.491 205 S N -0.193 115.512 115.700 0.008 0.000 2.537 205 S HA -0.135 4.335 4.470 -0.001 0.000 0.240 205 S C 1.925 176.520 174.600 -0.008 0.000 0.981 205 S CA 0.723 58.926 58.200 0.004 0.000 0.948 205 S CB -0.165 63.040 63.200 0.007 0.000 0.759 205 S HN 0.403 nan 8.310 nan 0.000 0.531 206 C N 0.661 119.946 119.300 -0.025 0.000 3.065 206 C HA 0.484 4.944 4.460 -0.001 0.000 0.285 206 C C 0.750 175.714 174.990 -0.044 0.000 1.257 206 C CA -0.780 58.215 59.018 -0.038 0.000 1.691 206 C CB -1.384 26.322 27.740 -0.057 0.000 2.089 206 C HN 0.613 nan 8.230 nan 0.000 0.630 207 L N 2.851 124.049 121.223 -0.042 0.000 2.600 207 L HA 0.257 4.597 4.340 -0.001 0.000 0.278 207 L C -0.492 176.387 176.870 0.016 0.000 1.139 207 L CA 0.577 55.416 54.840 -0.002 0.000 0.933 207 L CB -0.013 42.030 42.059 -0.027 0.000 1.266 207 L HN 0.310 nan 8.230 nan 0.000 0.471 208 I N 5.620 126.190 120.570 0.000 0.000 2.412 208 I HA 0.198 4.367 4.170 -0.001 0.000 0.279 208 I C -1.482 174.465 176.117 -0.283 0.000 1.063 208 I CA -1.742 59.494 61.300 -0.107 0.000 1.193 208 I CB 1.176 39.109 38.000 -0.112 0.000 1.370 208 I HN 0.326 nan 8.210 nan 0.000 0.479 209 P HA -0.275 nan 4.420 nan 0.000 0.216 209 P C 1.695 178.539 177.300 -0.759 0.000 1.157 209 P CA 1.451 64.064 63.100 -0.812 0.000 0.880 209 P CB 0.281 31.705 31.700 -0.460 0.000 0.791 210 A N 0.017 122.575 122.820 -0.437 0.000 2.093 210 A HA -0.209 4.111 4.320 -0.001 0.000 0.222 210 A C 2.259 179.580 177.584 -0.438 0.000 1.162 210 A CA 2.016 53.843 52.037 -0.349 0.000 0.655 210 A CB -1.622 17.282 19.000 -0.159 0.000 0.805 210 A HN 0.236 nan 8.150 nan 0.000 0.461 211 A N -0.617 121.932 122.820 -0.451 0.000 2.186 211 A HA 0.034 4.354 4.320 -0.001 0.000 0.219 211 A C 2.062 179.419 177.584 -0.378 0.000 1.159 211 A CA 1.581 53.390 52.037 -0.380 0.000 0.680 211 A CB -0.725 18.132 19.000 -0.239 0.000 0.787 211 A HN 0.417 nan 8.150 nan 0.000 0.467 212 V N -1.482 118.073 119.914 -0.598 0.000 2.358 212 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 212 V C 2.119 177.971 176.094 -0.403 0.000 1.047 212 V CA 2.117 64.074 62.300 -0.573 0.000 1.035 212 V CB -0.882 30.381 31.823 -0.934 0.000 0.658 212 V HN 0.703 nan 8.190 nan 0.000 0.452 213 F N -1.392 118.484 119.950 -0.124 0.000 2.582 213 F HA 0.272 4.799 4.527 -0.001 0.000 0.290 213 F C 0.663 176.420 175.800 -0.072 0.000 1.115 213 F CA -0.039 57.922 58.000 -0.063 0.000 1.445 213 F CB 0.269 39.243 39.000 -0.043 0.000 1.126 213 F HN 0.063 nan 8.300 nan 0.000 0.574 214 L N 1.228 122.382 121.223 -0.114 0.000 2.581 214 L HA 0.352 4.692 4.340 -0.001 0.000 0.241 214 L C -1.933 174.467 176.870 -0.785 0.000 1.265 214 L CA -2.125 52.420 54.840 -0.491 0.000 0.954 214 L CB 0.145 41.791 42.059 -0.689 0.000 1.269 214 L HN -0.241 nan 8.230 nan 0.000 0.475 215 P HA -0.211 nan 4.420 nan 0.000 0.214 215 P C 1.619 178.782 177.300 -0.228 0.000 1.163 215 P CA 1.497 64.467 63.100 -0.216 0.000 0.889 215 P CB -0.144 31.552 31.700 -0.006 0.000 0.790 216 W N 0.137 121.452 121.300 0.025 0.000 2.316 216 W HA -0.200 4.460 4.660 -0.001 0.000 0.279 216 W C 1.737 178.265 176.519 0.015 0.000 1.208 216 W CA 0.374 57.730 57.345 0.019 0.000 1.182 216 W CB -2.069 27.403 29.460 0.019 0.000 1.134 216 W HN 0.011 nan 8.180 nan 0.000 0.560 217 I N 1.571 121.812 120.570 -0.549 0.000 2.208 217 I HA -0.305 3.864 4.170 -0.001 0.000 0.245 217 I C 2.377 178.413 176.117 -0.135 0.000 1.097 217 I CA 1.596 62.640 61.300 -0.426 0.000 1.363 217 I CB -0.210 37.404 38.000 -0.643 0.000 1.051 217 I HN -0.111 nan 8.210 nan 0.000 0.413 218 L N 0.574 121.722 121.223 -0.125 0.000 2.622 218 L HA -0.077 4.262 4.340 -0.001 0.000 0.233 218 L C 1.673 178.538 176.870 -0.009 0.000 1.156 218 L CA 0.594 55.399 54.840 -0.060 0.000 0.866 218 L CB -0.367 41.658 42.059 -0.057 0.000 0.980 218 L HN 0.203 nan 8.230 nan 0.000 0.448 219 K N -0.208 120.215 120.400 0.039 0.000 2.358 219 K HA 0.265 4.585 4.320 -0.001 0.000 0.200 219 K C 0.294 176.944 176.600 0.083 0.000 1.030 219 K CA -0.102 56.224 56.287 0.065 0.000 1.097 219 K CB 0.674 33.236 32.500 0.102 0.000 0.862 219 K HN 0.233 nan 8.250 nan 0.000 0.534 220 L N 3.649 124.927 121.223 0.090 0.000 2.395 220 L HA 0.167 4.507 4.340 -0.001 0.000 0.269 220 L C -1.852 175.075 176.870 0.095 0.000 1.133 220 L CA -1.981 52.922 54.840 0.105 0.000 0.812 220 L CB 0.227 42.357 42.059 0.119 0.000 1.125 220 L HN -0.147 nan 8.230 nan 0.000 0.452 221 P HA 0.094 nan 4.420 nan 0.000 0.252 221 P C -0.848 176.544 177.300 0.155 0.000 1.635 221 P CA 0.321 63.512 63.100 0.151 0.000 1.206 221 P CB -0.287 31.483 31.700 0.117 0.000 1.911 222 L N 4.931 126.253 121.223 0.166 0.000 2.295 222 L HA 0.315 4.654 4.340 -0.001 0.000 0.285 222 L C -0.907 176.105 176.870 0.238 0.000 1.035 222 L CA -2.362 52.562 54.840 0.139 0.000 0.806 222 L CB 1.849 43.955 42.059 0.077 0.000 1.214 222 L HN -0.027 nan 8.230 nan 0.000 0.426 223 P HA -0.141 nan 4.420 nan 0.000 0.222 223 P C 0.894 178.307 177.300 0.188 0.000 1.147 223 P CA 0.970 64.174 63.100 0.172 0.000 0.790 223 P CB 0.409 32.133 31.700 0.041 0.000 0.780 224 Q N 0.458 120.327 119.800 0.116 0.000 2.170 224 Q HA -0.107 4.233 4.340 -0.001 0.000 0.203 224 Q C 2.362 178.396 176.000 0.056 0.000 0.976 224 Q CA 2.133 57.977 55.803 0.067 0.000 0.858 224 Q CB -0.904 27.852 28.738 0.030 0.000 0.907 224 Q HN 0.404 nan 8.270 nan 0.000 0.433 225 S N -1.287 114.445 115.700 0.053 0.000 2.436 225 S HA -0.074 4.395 4.470 -0.001 0.000 0.228 225 S C 1.591 176.130 174.600 -0.103 0.000 1.014 225 S CA 0.425 58.590 58.200 -0.059 0.000 0.950 225 S CB -0.410 62.709 63.200 -0.136 0.000 0.784 225 S HN 0.376 nan 8.310 nan 0.000 0.504 226 Y N 2.076 122.372 120.300 -0.006 0.000 2.220 226 Y HA 0.165 4.715 4.550 -0.000 0.000 0.291 226 Y C 2.880 178.776 175.900 -0.005 0.000 1.129 226 Y CA 0.806 58.904 58.100 -0.003 0.000 1.161 226 Y CB -0.228 38.231 38.460 -0.001 0.000 0.997 226 Y HN 0.112 nan 8.280 nan 0.000 0.522 227 R N -1.056 119.536 120.500 0.154 0.000 2.152 227 R HA -0.188 4.151 4.340 -0.001 0.000 0.232 227 R C 2.314 178.636 176.300 0.036 0.000 1.117 227 R CA 1.332 57.478 56.100 0.077 0.000 0.981 227 R CB -0.922 29.411 30.300 0.054 0.000 0.870 227 R HN 0.421 nan 8.270 nan 0.000 0.451 228 C N 0.329 119.639 119.300 0.017 0.000 2.522 228 C HA 0.057 4.517 4.460 -0.001 0.000 0.280 228 C C 2.595 177.576 174.990 -0.015 0.000 1.303 228 C CA 0.243 59.252 59.018 -0.015 0.000 1.709 228 C CB -0.541 27.175 27.740 -0.041 0.000 2.071 228 C HN 0.408 nan 8.230 nan 0.000 0.492 229 R N 0.715 121.202 120.500 -0.021 0.000 2.119 229 R HA -0.163 4.177 4.340 -0.001 0.000 0.246 229 R C 1.528 177.836 176.300 0.013 0.000 1.146 229 R CA 2.327 58.419 56.100 -0.013 0.000 0.962 229 R CB -0.435 29.845 30.300 -0.033 0.000 0.863 229 R HN 0.590 nan 8.270 nan 0.000 0.442 230 D N -0.321 120.095 120.400 0.027 0.000 2.234 230 D HA -0.023 4.616 4.640 -0.001 0.000 0.205 230 D C 1.599 177.910 176.300 0.018 0.000 0.962 230 D CA 1.099 55.118 54.000 0.031 0.000 0.855 230 D CB -0.047 40.780 40.800 0.044 0.000 0.951 230 D HN 0.256 nan 8.370 nan 0.000 0.500 231 A N 0.376 123.200 122.820 0.007 0.000 1.930 231 A HA -0.079 4.240 4.320 -0.001 0.000 0.215 231 A C 2.149 179.729 177.584 -0.007 0.000 1.176 231 A CA 0.921 52.953 52.037 -0.009 0.000 0.632 231 A CB -0.260 18.724 19.000 -0.026 0.000 0.819 231 A HN 0.057 nan 8.150 nan 0.000 0.445 232 R N -0.559 119.942 120.500 0.002 0.000 2.093 232 R HA 0.032 4.372 4.340 -0.001 0.000 0.224 232 R C 2.232 178.553 176.300 0.034 0.000 1.101 232 R CA 1.092 57.202 56.100 0.016 0.000 0.979 232 R CB -0.255 30.055 30.300 0.018 0.000 0.877 232 R HN 0.433 nan 8.270 nan 0.000 0.441 233 A N 0.671 123.512 122.820 0.035 0.000 1.969 233 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 233 A C 1.925 179.528 177.584 0.031 0.000 1.169 233 A CA 1.285 53.347 52.037 0.040 0.000 0.635 233 A CB -0.347 18.674 19.000 0.035 0.000 0.810 233 A HN 0.487 nan 8.150 nan 0.000 0.445 234 E N -0.556 119.658 120.200 0.024 0.000 2.107 234 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 234 E C 1.905 178.518 176.600 0.022 0.000 0.982 234 E CA 1.087 57.498 56.400 0.020 0.000 0.809 234 E CB -0.124 29.585 29.700 0.014 0.000 0.756 234 E HN 0.470 nan 8.360 nan 0.000 0.459 235 L N 1.425 122.663 121.223 0.025 0.000 2.056 235 L HA -0.175 4.164 4.340 -0.001 0.000 0.207 235 L C 2.417 179.307 176.870 0.034 0.000 1.078 235 L CA 1.877 56.740 54.840 0.038 0.000 0.749 235 L CB -0.562 41.529 42.059 0.053 0.000 0.901 235 L HN 0.140 nan 8.230 nan 0.000 0.433 236 Q N -0.696 119.126 119.800 0.037 0.000 2.096 236 Q HA -0.240 4.100 4.340 -0.001 0.000 0.204 236 Q C 1.758 177.773 176.000 0.025 0.000 0.982 236 Q CA 2.141 57.967 55.803 0.038 0.000 0.850 236 Q CB -0.046 28.728 28.738 0.060 0.000 0.901 236 Q HN 0.570 nan 8.270 nan 0.000 0.422 237 D N 0.206 120.620 120.400 0.023 0.000 2.117 237 D HA -0.160 4.480 4.640 -0.001 0.000 0.197 237 D C 1.865 178.168 176.300 0.005 0.000 0.987 237 D CA 1.083 55.092 54.000 0.015 0.000 0.829 237 D CB -0.212 40.597 40.800 0.015 0.000 0.961 237 D HN 0.356 nan 8.370 nan 0.000 0.460 238 I N 0.614 121.186 120.570 0.004 0.000 2.127 238 I HA -0.271 3.899 4.170 -0.001 0.000 0.241 238 I C 2.422 178.523 176.117 -0.027 0.000 1.075 238 I CA 0.845 62.139 61.300 -0.009 0.000 1.334 238 I CB -0.244 37.754 38.000 -0.004 0.000 1.040 238 I HN -0.014 nan 8.210 nan 0.000 0.405 239 L N 0.434 121.638 121.223 -0.031 0.000 2.013 239 L HA -0.262 4.078 4.340 -0.001 0.000 0.212 239 L C 2.853 179.705 176.870 -0.032 0.000 1.073 239 L CA 1.893 56.704 54.840 -0.049 0.000 0.753 239 L CB -0.933 41.103 42.059 -0.039 0.000 0.890 239 L HN 0.404 nan 8.230 nan 0.000 0.432 240 S N -0.153 115.539 115.700 -0.013 0.000 2.348 240 S HA -0.249 4.221 4.470 -0.001 0.000 0.221 240 S C 1.791 176.384 174.600 -0.011 0.000 1.033 240 S CA 1.459 59.655 58.200 -0.007 0.000 1.010 240 S CB -0.525 62.678 63.200 0.005 0.000 0.891 240 S HN 0.472 nan 8.310 nan 0.000 0.442 241 E N 0.507 120.701 120.200 -0.011 0.000 2.267 241 E HA -0.054 4.296 4.350 -0.001 0.000 0.197 241 E C 1.903 178.492 176.600 -0.018 0.000 0.998 241 E CA 0.993 57.386 56.400 -0.012 0.000 0.830 241 E CB -0.192 29.503 29.700 -0.009 0.000 0.751 241 E HN 0.518 nan 8.360 nan 0.000 0.491 242 I N 0.526 121.079 120.570 -0.028 0.000 2.406 242 I HA -0.182 3.987 4.170 -0.001 0.000 0.249 242 I C 2.178 178.277 176.117 -0.031 0.000 1.122 242 I CA 1.099 62.377 61.300 -0.036 0.000 1.431 242 I CB -0.525 37.441 38.000 -0.058 0.000 1.087 242 I HN 0.161 nan 8.210 nan 0.000 0.424 243 I N 1.409 121.962 120.570 -0.028 0.000 2.233 243 I HA -0.233 3.936 4.170 -0.001 0.000 0.243 243 I C 2.466 178.572 176.117 -0.019 0.000 1.093 243 I CA 1.189 62.474 61.300 -0.025 0.000 1.380 243 I CB -0.300 37.687 38.000 -0.023 0.000 1.067 243 I HN 0.103 nan 8.210 nan 0.000 0.413 244 I N -0.372 120.189 120.570 -0.014 0.000 2.850 244 I HA -0.112 4.057 4.170 -0.001 0.000 0.266 244 I C 2.410 178.520 176.117 -0.012 0.000 1.257 244 I CA 1.196 62.490 61.300 -0.011 0.000 1.465 244 I CB -0.657 37.338 38.000 -0.008 0.000 1.091 244 I HN 0.077 nan 8.210 nan 0.000 0.467 245 A N 1.744 124.555 122.820 -0.014 0.000 1.943 245 A HA 0.090 4.410 4.320 -0.001 0.000 0.213 245 A C 2.419 179.994 177.584 -0.015 0.000 1.181 245 A CA 0.294 52.323 52.037 -0.014 0.000 0.653 245 A CB -0.328 18.664 19.000 -0.015 0.000 0.833 245 A HN 0.326 nan 8.150 nan 0.000 0.451 246 R N 0.022 120.511 120.500 -0.018 0.000 2.237 246 R HA -0.043 4.297 4.340 -0.001 0.000 0.219 246 R C 1.380 177.670 176.300 -0.017 0.000 1.080 246 R CA 1.199 57.288 56.100 -0.018 0.000 0.995 246 R CB -0.074 30.213 30.300 -0.023 0.000 0.875 246 R HN 0.638 nan 8.270 nan 0.000 0.462 247 E N -0.112 120.079 120.200 -0.016 0.000 2.318 247 E HA -0.044 4.306 4.350 -0.001 0.000 0.193 247 E C 1.370 177.963 176.600 -0.012 0.000 0.998 247 E CA 0.556 56.947 56.400 -0.014 0.000 0.859 247 E CB 0.393 30.085 29.700 -0.014 0.000 0.812 247 E HN 0.236 nan 8.360 nan 0.000 0.492 248 K N 0.884 121.278 120.400 -0.011 0.000 2.214 248 K HA -0.031 4.289 4.320 -0.001 0.000 0.201 248 K C 1.871 178.465 176.600 -0.009 0.000 1.049 248 K CA 0.645 56.927 56.287 -0.009 0.000 0.978 248 K CB 0.208 32.703 32.500 -0.008 0.000 0.842 248 K HN 0.087 nan 8.250 nan 0.000 0.474 249 E N 1.690 121.884 120.200 -0.010 0.000 2.515 249 E HA -0.193 4.157 4.350 -0.001 0.000 0.201 249 E C 1.521 178.115 176.600 -0.010 0.000 1.071 249 E CA 0.699 57.093 56.400 -0.009 0.000 0.880 249 E CB 0.037 29.732 29.700 -0.010 0.000 0.828 249 E HN 0.322 nan 8.360 nan 0.000 0.540 250 E N 1.137 121.331 120.200 -0.011 0.000 2.153 250 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 250 E C 2.003 178.597 176.600 -0.010 0.000 0.988 250 E CA 1.057 57.450 56.400 -0.012 0.000 0.811 250 E CB -0.100 29.592 29.700 -0.013 0.000 0.746 250 E HN 0.398 nan 8.360 nan 0.000 0.466 251 A N 0.802 123.617 122.820 -0.009 0.000 1.908 251 A HA -0.255 4.064 4.320 -0.001 0.000 0.218 251 A C 2.135 179.714 177.584 -0.008 0.000 1.181 251 A CA 1.811 53.843 52.037 -0.008 0.000 0.627 251 A CB -0.552 18.444 19.000 -0.007 0.000 0.818 251 A HN 0.281 nan 8.150 nan 0.000 0.445 252 Q N -0.335 119.461 119.800 -0.007 0.000 2.245 252 Q HA -0.039 4.301 4.340 -0.001 0.000 0.201 252 Q C 0.013 176.009 176.000 -0.008 0.000 0.955 252 Q CA 1.056 56.855 55.803 -0.007 0.000 0.870 252 Q CB -0.435 28.299 28.738 -0.006 0.000 0.945 252 Q HN 0.628 nan 8.270 nan 0.000 0.461 253 K N 2.027 122.422 120.400 -0.009 0.000 3.419 253 K HA -0.168 4.152 4.320 -0.001 0.000 0.272 253 K C -1.166 175.428 176.600 -0.009 0.000 0.973 253 K CA 0.628 56.909 56.287 -0.010 0.000 0.749 253 K CB -1.803 30.691 32.500 -0.011 0.000 1.403 253 K HN 0.361 nan 8.250 nan 0.000 0.456 254 D N 0.932 121.327 120.400 -0.008 0.000 2.361 254 D HA 0.025 4.664 4.640 -0.001 0.000 0.239 254 D C 0.882 177.177 176.300 -0.008 0.000 1.200 254 D CA 0.051 54.047 54.000 -0.007 0.000 0.915 254 D CB 0.404 41.200 40.800 -0.006 0.000 1.170 254 D HN 0.371 nan 8.370 nan 0.000 0.444 255 T N -0.314 114.236 114.554 -0.007 0.000 2.905 255 T HA 0.065 4.415 4.350 -0.001 0.000 0.299 255 T C -0.011 174.686 174.700 -0.007 0.000 1.024 255 T CA -0.489 61.606 62.100 -0.007 0.000 1.151 255 T CB -0.016 68.849 68.868 -0.005 0.000 0.987 255 T HN 0.240 nan 8.240 nan 0.000 0.535 256 N N 2.546 121.241 118.700 -0.008 0.000 2.314 256 N HA 0.392 5.132 4.740 -0.001 0.000 0.294 256 N C -0.659 174.847 175.510 -0.006 0.000 1.029 256 N CA -0.723 52.322 53.050 -0.008 0.000 0.845 256 N CB 2.211 40.692 38.487 -0.011 0.000 1.321 256 N HN 0.895 nan 8.380 nan 0.000 0.481 257 T N -1.627 112.927 114.554 0.000 0.000 2.788 257 T HA 0.407 4.756 4.350 -0.001 0.000 0.296 257 T C 0.052 174.758 174.700 0.010 0.000 1.009 257 T CA -0.673 61.431 62.100 0.006 0.000 0.949 257 T CB 0.297 69.176 68.868 0.019 0.000 0.946 257 T HN 0.175 nan 8.240 nan 0.000 0.453 258 S N 4.133 119.834 115.700 0.001 0.000 2.531 258 S HA 0.298 4.768 4.470 -0.001 0.000 0.279 258 S C 0.567 175.181 174.600 0.023 0.000 1.305 258 S CA -0.706 57.495 58.200 0.001 0.000 1.058 258 S CB 0.263 63.452 63.200 -0.018 0.000 0.899 258 S HN 0.936 nan 8.310 nan 0.000 0.493 259 D N 1.693 122.113 120.400 0.033 0.000 2.478 259 D HA 0.114 4.754 4.640 -0.001 0.000 0.269 259 D C 1.315 177.646 176.300 0.052 0.000 1.232 259 D CA -0.883 53.156 54.000 0.065 0.000 1.059 259 D CB 0.013 40.872 40.800 0.098 0.000 1.104 259 D HN 0.285 nan 8.370 nan 0.000 0.566 260 L N -0.327 120.942 121.223 0.077 0.000 2.043 260 L HA -0.141 4.198 4.340 -0.001 0.000 0.212 260 L C 2.069 178.960 176.870 0.034 0.000 1.075 260 L CA 1.610 56.480 54.840 0.050 0.000 0.752 260 L CB -1.178 40.922 42.059 0.068 0.000 0.891 260 L HN 0.561 nan 8.230 nan 0.000 0.432 261 L N 0.056 121.309 121.223 0.050 0.000 2.012 261 L HA -0.128 4.212 4.340 -0.001 0.000 0.210 261 L C 2.540 179.395 176.870 -0.025 0.000 1.073 261 L CA 2.243 57.083 54.840 0.000 0.000 0.748 261 L CB -1.230 40.811 42.059 -0.030 0.000 0.891 261 L HN 0.298 nan 8.230 nan 0.000 0.431 262 A N -0.545 122.263 122.820 -0.020 0.000 1.940 262 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 262 A C 2.319 179.869 177.584 -0.056 0.000 1.176 262 A CA 1.761 53.777 52.037 -0.035 0.000 0.631 262 A CB -1.610 17.375 19.000 -0.025 0.000 0.814 262 A HN 0.576 nan 8.150 nan 0.000 0.446 263 G N -0.629 108.139 108.800 -0.053 0.000 2.403 263 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.216 263 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.216 263 G C 1.341 176.168 174.900 -0.122 0.000 1.154 263 G CA 0.771 45.823 45.100 -0.079 0.000 0.784 263 G HN 0.441 nan 8.290 nan 0.000 0.538 264 L N 0.304 121.465 121.223 -0.103 0.000 2.610 264 L HA 0.278 4.617 4.340 -0.001 0.000 0.232 264 L C 2.000 178.768 176.870 -0.171 0.000 1.149 264 L CA -0.053 54.701 54.840 -0.143 0.000 0.872 264 L CB 0.047 42.064 42.059 -0.070 0.000 0.992 264 L HN 0.188 nan 8.230 nan 0.000 0.447 265 L N -1.511 119.628 121.223 -0.141 0.000 2.556 265 L HA 0.192 4.532 4.340 -0.001 0.000 0.226 265 L C 2.202 178.981 176.870 -0.152 0.000 1.089 265 L CA 0.459 55.225 54.840 -0.124 0.000 0.864 265 L CB -0.095 41.917 42.059 -0.079 0.000 1.067 265 L HN 0.228 nan 8.230 nan 0.000 0.477 266 G N -0.011 108.679 108.800 -0.183 0.000 2.656 266 G HA2 0.175 4.135 3.960 -0.001 0.000 0.211 266 G HA3 0.175 4.135 3.960 -0.001 0.000 0.211 266 G C 0.852 175.581 174.900 -0.284 0.000 1.137 266 G CA 0.440 45.431 45.100 -0.183 0.000 0.802 266 G HN 0.285 nan 8.290 nan 0.000 0.527 267 A N 0.056 122.598 122.820 -0.463 0.000 2.587 267 A HA 0.427 4.747 4.320 -0.001 0.000 0.233 267 A C -0.316 176.787 177.584 -0.801 0.000 1.049 267 A CA 0.459 51.965 52.037 -0.885 0.000 0.754 267 A CB 0.317 18.276 19.000 -1.735 0.000 0.977 267 A HN 0.512 nan 8.150 nan 0.000 0.509 268 V N 3.808 123.373 119.914 -0.582 0.000 2.525 268 V HA 0.261 4.381 4.120 -0.001 0.000 0.299 268 V C -0.539 175.626 176.094 0.118 0.000 1.034 268 V CA -0.539 61.643 62.300 -0.197 0.000 0.863 268 V CB 0.970 32.759 31.823 -0.056 0.000 0.999 268 V HN 0.817 nan 8.190 nan 0.000 0.423 269 Y N 3.009 123.458 120.300 0.248 0.000 2.709 269 Y HA 0.016 4.566 4.550 -0.001 0.000 0.348 269 Y C 1.918 177.907 175.900 0.148 0.000 1.267 269 Y CA 0.324 58.589 58.100 0.274 0.000 1.486 269 Y CB 0.471 39.032 38.460 0.168 0.000 1.356 269 Y HN 0.530 nan 8.280 nan 0.000 0.639 270 R N 0.507 121.177 120.500 0.283 0.000 2.200 270 R HA -0.164 4.175 4.340 -0.001 0.000 0.234 270 R C 1.023 177.396 176.300 0.122 0.000 1.127 270 R CA 1.485 57.676 56.100 0.152 0.000 0.989 270 R CB -0.279 30.082 30.300 0.101 0.000 0.869 270 R HN 0.744 nan 8.270 nan 0.000 0.459 271 D N -1.217 119.267 120.400 0.141 0.000 2.340 271 D HA 0.027 4.667 4.640 -0.001 0.000 0.220 271 D C 1.086 177.436 176.300 0.084 0.000 1.039 271 D CA 0.787 54.836 54.000 0.081 0.000 0.866 271 D CB 0.278 41.101 40.800 0.038 0.000 0.913 271 D HN 0.223 nan 8.370 nan 0.000 0.523 272 G N -0.105 108.766 108.800 0.119 0.000 2.176 272 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.253 272 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.253 272 G C 0.443 175.400 174.900 0.096 0.000 0.979 272 G CA 0.517 45.670 45.100 0.088 0.000 0.641 272 G HN 0.806 nan 8.290 nan 0.000 0.530 273 T N -1.692 112.953 114.554 0.152 0.000 2.927 273 T HA 0.770 5.119 4.350 -0.001 0.000 0.281 273 T C 0.310 175.163 174.700 0.254 0.000 0.998 273 T CA -0.683 61.512 62.100 0.158 0.000 1.019 273 T CB 2.184 71.118 68.868 0.110 0.000 1.061 273 T HN 0.407 nan 8.240 nan 0.000 0.518 274 R N 0.811 121.412 120.500 0.168 0.000 2.643 274 R HA 0.473 4.813 4.340 -0.001 0.000 0.272 274 R C 0.502 176.935 176.300 0.222 0.000 0.995 274 R CA -0.881 55.281 56.100 0.103 0.000 1.032 274 R CB 1.221 31.523 30.300 0.004 0.000 1.126 274 R HN 0.637 nan 8.270 nan 0.000 0.505 275 M N 0.888 120.550 119.600 0.104 0.000 2.228 275 M HA -0.024 4.456 4.480 -0.001 0.000 0.303 275 M C 0.500 176.882 176.300 0.137 0.000 1.099 275 M CA 0.797 56.215 55.300 0.197 0.000 1.171 275 M CB 0.504 33.112 32.600 0.013 0.000 1.412 275 M HN 0.634 nan 8.290 nan 0.000 0.447 276 S N 0.519 116.311 115.700 0.152 0.000 2.565 276 S HA 0.250 4.719 4.470 -0.001 0.000 0.290 276 S C 0.395 175.056 174.600 0.101 0.000 1.150 276 S CA -0.983 57.285 58.200 0.114 0.000 1.058 276 S CB 1.601 64.879 63.200 0.129 0.000 1.032 276 S HN 0.768 nan 8.310 nan 0.000 0.510 277 Q N 0.376 120.224 119.800 0.080 0.000 2.268 277 Q HA -0.243 4.096 4.340 -0.001 0.000 0.210 277 Q C 1.736 177.794 176.000 0.096 0.000 0.988 277 Q CA 1.837 57.679 55.803 0.066 0.000 0.883 277 Q CB -0.382 28.387 28.738 0.052 0.000 0.911 277 Q HN 0.881 nan 8.270 nan 0.000 0.430 278 H N 0.925 120.017 119.070 0.037 0.000 2.326 278 H HA -0.089 4.467 4.556 -0.001 0.000 0.301 278 H C 1.493 176.856 175.328 0.058 0.000 1.081 278 H CA 1.478 57.552 56.048 0.044 0.000 1.334 278 H CB 0.400 30.186 29.762 0.039 0.000 1.385 278 H HN 0.321 nan 8.280 nan 0.000 0.504 279 E N -0.013 120.219 120.200 0.054 0.000 2.077 279 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 279 E C 2.515 179.109 176.600 -0.009 0.000 0.989 279 E CA 1.099 57.508 56.400 0.015 0.000 0.800 279 E CB 0.185 29.970 29.700 0.142 0.000 0.746 279 E HN 0.207 nan 8.360 nan 0.000 0.452 280 V N 0.903 120.825 119.914 0.013 0.000 2.295 280 V HA -0.315 3.805 4.120 -0.001 0.000 0.246 280 V C 2.469 178.562 176.094 -0.001 0.000 1.049 280 V CA 1.714 64.015 62.300 0.001 0.000 1.024 280 V CB -0.394 31.428 31.823 -0.002 0.000 0.648 280 V HN 0.562 nan 8.190 nan 0.000 0.447 281 C N 0.850 120.144 119.300 -0.011 0.000 2.410 281 C HA -0.075 4.385 4.460 -0.001 0.000 0.281 281 C C 2.825 177.817 174.990 0.004 0.000 1.318 281 C CA 0.884 59.903 59.018 0.002 0.000 1.776 281 C CB -1.614 26.125 27.740 -0.001 0.000 1.942 281 C HN 0.634 nan 8.230 nan 0.000 0.508 282 G N 0.150 108.914 108.800 -0.061 0.000 2.404 282 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.214 282 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.214 282 G C 1.536 176.448 174.900 0.021 0.000 1.189 282 G CA 0.945 46.033 45.100 -0.021 0.000 0.789 282 G HN 0.391 nan 8.290 nan 0.000 0.533 283 M N 0.696 120.284 119.600 -0.020 0.000 2.117 283 M HA 0.099 4.579 4.480 -0.001 0.000 0.262 283 M C 2.623 178.950 176.300 0.045 0.000 1.065 283 M CA 0.798 56.081 55.300 -0.029 0.000 1.114 283 M CB -1.182 31.404 32.600 -0.023 0.000 1.361 283 M HN 0.224 nan 8.290 nan 0.000 0.408 284 I N -0.690 119.929 120.570 0.082 0.000 2.264 284 I HA -0.258 3.912 4.170 -0.001 0.000 0.248 284 I C 2.406 178.668 176.117 0.243 0.000 1.111 284 I CA 0.909 62.300 61.300 0.152 0.000 1.382 284 I CB -0.532 37.558 38.000 0.151 0.000 1.060 284 I HN 0.034 nan 8.210 nan 0.000 0.418 285 V N 0.894 120.954 119.914 0.245 0.000 2.379 285 V HA -0.212 3.908 4.120 -0.001 0.000 0.245 285 V C 2.686 178.992 176.094 0.354 0.000 1.044 285 V CA 1.887 64.383 62.300 0.326 0.000 1.036 285 V CB -0.644 31.327 31.823 0.247 0.000 0.664 285 V HN 0.476 nan 8.190 nan 0.000 0.453 286 A N -0.199 122.786 122.820 0.274 0.000 1.930 286 A HA -0.063 4.256 4.320 -0.001 0.000 0.217 286 A C 2.386 180.127 177.584 0.262 0.000 1.175 286 A CA 1.914 54.108 52.037 0.262 0.000 0.627 286 A CB -0.641 18.198 19.000 -0.268 0.000 0.815 286 A HN 0.546 nan 8.150 nan 0.000 0.443 287 A N -0.672 122.254 122.820 0.177 0.000 1.855 287 A HA -0.099 4.220 4.320 -0.001 0.000 0.215 287 A C 2.172 179.874 177.584 0.197 0.000 1.191 287 A CA 1.932 54.060 52.037 0.152 0.000 0.613 287 A CB -0.494 18.551 19.000 0.074 0.000 0.829 287 A HN 0.401 nan 8.150 nan 0.000 0.442 288 M N -1.531 118.210 119.600 0.235 0.000 2.117 288 M HA -0.085 4.395 4.480 -0.001 0.000 0.262 288 M C 2.138 178.594 176.300 0.259 0.000 1.065 288 M CA 1.349 56.796 55.300 0.244 0.000 1.114 288 M CB -1.431 31.423 32.600 0.423 0.000 1.361 288 M HN 0.599 nan 8.290 nan 0.000 0.408 289 F N 1.044 121.117 119.950 0.204 0.000 2.084 289 F HA -0.092 4.435 4.527 -0.001 0.000 0.296 289 F C 2.341 178.249 175.800 0.180 0.000 1.111 289 F CA 1.776 59.883 58.000 0.179 0.000 1.224 289 F CB -0.329 38.822 39.000 0.252 0.000 0.991 289 F HN 0.104 nan 8.300 nan 0.000 0.471 290 A N 0.445 123.530 122.820 0.440 0.000 1.902 290 A HA -0.064 4.255 4.320 -0.001 0.000 0.217 290 A C 2.413 180.070 177.584 0.121 0.000 1.181 290 A CA 1.706 53.928 52.037 0.309 0.000 0.623 290 A CB -1.849 17.372 19.000 0.369 0.000 0.818 290 A HN 0.544 nan 8.150 nan 0.000 0.443 291 G N -1.013 107.868 108.800 0.136 0.000 2.421 291 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.217 291 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.217 291 G C 1.572 176.470 174.900 -0.003 0.000 1.143 291 G CA 1.245 46.427 45.100 0.136 0.000 0.784 291 G HN 0.588 nan 8.290 nan 0.000 0.541 292 Q N 0.340 120.057 119.800 -0.139 0.000 1.965 292 Q HA -0.124 4.215 4.340 -0.001 0.000 0.200 292 Q C 2.335 178.133 176.000 -0.338 0.000 0.981 292 Q CA 1.662 57.284 55.803 -0.302 0.000 0.834 292 Q CB -0.548 27.879 28.738 -0.518 0.000 0.900 292 Q HN 0.561 nan 8.270 nan 0.000 0.426 293 H N -0.437 118.494 119.070 -0.233 0.000 2.363 293 H HA -0.018 4.537 4.556 -0.001 0.000 0.301 293 H C 2.216 177.469 175.328 -0.126 0.000 1.074 293 H CA 2.075 57.995 56.048 -0.213 0.000 1.354 293 H CB -0.695 28.871 29.762 -0.326 0.000 1.397 293 H HN 0.599 nan 8.280 nan 0.000 0.516 294 T N -1.042 113.523 114.554 0.020 0.000 2.737 294 T HA -0.100 4.249 4.350 -0.001 0.000 0.265 294 T C 2.379 177.087 174.700 0.014 0.000 1.038 294 T CA 1.437 63.553 62.100 0.026 0.000 1.144 294 T CB -0.548 68.343 68.868 0.037 0.000 0.866 294 T HN 0.108 nan 8.240 nan 0.000 0.434 295 S N 1.252 116.947 115.700 -0.008 0.000 2.370 295 S HA -0.129 4.340 4.470 -0.001 0.000 0.226 295 S C 2.399 176.968 174.600 -0.052 0.000 1.033 295 S CA 1.819 60.000 58.200 -0.032 0.000 1.011 295 S CB -0.931 62.225 63.200 -0.074 0.000 0.852 295 S HN 0.832 nan 8.310 nan 0.000 0.457 296 T N 1.228 115.739 114.554 -0.072 0.000 2.857 296 T HA 0.091 4.441 4.350 -0.001 0.000 0.266 296 T C 1.696 176.346 174.700 -0.083 0.000 1.048 296 T CA 0.739 62.784 62.100 -0.092 0.000 1.139 296 T CB -0.408 68.395 68.868 -0.108 0.000 0.874 296 T HN 0.333 nan 8.240 nan 0.000 0.455 297 I N 1.284 121.825 120.570 -0.047 0.000 2.252 297 I HA -0.116 4.054 4.170 -0.001 0.000 0.245 297 I C 2.756 178.904 176.117 0.051 0.000 1.102 297 I CA 1.483 62.755 61.300 -0.048 0.000 1.385 297 I CB -0.452 37.560 38.000 0.020 0.000 1.064 297 I HN 0.323 nan 8.210 nan 0.000 0.414 298 T N -0.454 114.155 114.554 0.092 0.000 2.812 298 T HA -0.122 4.227 4.350 -0.001 0.000 0.264 298 T C 1.905 176.666 174.700 0.102 0.000 1.042 298 T CA 1.750 63.940 62.100 0.150 0.000 1.140 298 T CB -0.329 68.605 68.868 0.110 0.000 0.870 298 T HN 0.317 nan 8.240 nan 0.000 0.445 299 T N 2.089 116.654 114.554 0.017 0.000 2.708 299 T HA -0.117 4.233 4.350 -0.001 0.000 0.266 299 T C 2.298 176.963 174.700 -0.058 0.000 1.037 299 T CA 1.692 63.777 62.100 -0.024 0.000 1.146 299 T CB -0.720 68.107 68.868 -0.068 0.000 0.865 299 T HN 0.407 nan 8.240 nan 0.000 0.435 300 T N 0.556 115.044 114.554 -0.109 0.000 2.595 300 T HA -0.160 4.189 4.350 -0.001 0.000 0.264 300 T C 1.583 176.175 174.700 -0.180 0.000 1.058 300 T CA 1.490 63.465 62.100 -0.209 0.000 1.166 300 T CB -0.760 67.919 68.868 -0.314 0.000 0.863 300 T HN 0.520 nan 8.240 nan 0.000 0.415 301 W N 1.424 122.630 121.300 -0.157 0.000 2.290 301 W HA -0.249 4.411 4.660 -0.000 0.000 0.323 301 W C 3.096 179.504 176.519 -0.184 0.000 1.260 301 W CA 1.152 58.383 57.345 -0.189 0.000 1.266 301 W CB -0.613 28.840 29.460 -0.012 0.000 1.149 301 W HN 0.200 nan 8.180 nan 0.000 0.482 302 S N 0.622 116.432 115.700 0.183 0.000 2.369 302 S HA -0.275 4.195 4.470 -0.001 0.000 0.225 302 S C 1.731 176.276 174.600 -0.093 0.000 1.043 302 S CA 1.731 59.958 58.200 0.045 0.000 1.074 302 S CB -0.967 62.287 63.200 0.090 0.000 0.962 302 S HN 0.211 nan 8.310 nan 0.000 0.433 303 L N 0.876 122.027 121.223 -0.120 0.000 2.042 303 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 303 L C 2.349 179.079 176.870 -0.235 0.000 1.076 303 L CA 1.186 55.904 54.840 -0.203 0.000 0.749 303 L CB -0.574 41.282 42.059 -0.339 0.000 0.893 303 L HN 0.308 nan 8.230 nan 0.000 0.432 304 L N -1.283 119.771 121.223 -0.281 0.000 2.083 304 L HA -0.244 4.095 4.340 -0.001 0.000 0.209 304 L C 2.687 179.358 176.870 -0.333 0.000 1.083 304 L CA 0.992 55.644 54.840 -0.313 0.000 0.752 304 L CB -0.698 41.139 42.059 -0.370 0.000 0.899 304 L HN 0.398 nan 8.230 nan 0.000 0.433 305 H N -0.456 118.414 119.070 -0.334 0.000 2.436 305 H HA -0.013 4.543 4.556 -0.000 0.000 0.294 305 H C 2.354 177.499 175.328 -0.304 0.000 1.048 305 H CA 1.062 56.786 56.048 -0.540 0.000 1.353 305 H CB 0.089 28.902 29.762 -1.581 0.000 1.414 305 H HN 0.332 nan 8.280 nan 0.000 0.536 306 L N 0.893 122.054 121.223 -0.104 0.000 2.093 306 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 306 L C 2.626 179.574 176.870 0.130 0.000 1.085 306 L CA 0.966 55.864 54.840 0.096 0.000 0.755 306 L CB -0.364 41.766 42.059 0.118 0.000 0.904 306 L HN 0.265 nan 8.230 nan 0.000 0.435 307 M N -1.774 117.868 119.600 0.070 0.000 2.562 307 M HA 0.077 4.557 4.480 -0.001 0.000 0.257 307 M C 0.391 176.741 176.300 0.083 0.000 1.099 307 M CA 0.701 56.065 55.300 0.106 0.000 1.099 307 M CB -0.361 32.301 32.600 0.105 0.000 1.427 307 M HN -0.040 nan 8.290 nan 0.000 0.489 308 D N 2.763 123.202 120.400 0.065 0.000 2.371 308 D HA 0.138 4.778 4.640 -0.001 0.000 0.256 308 D C -1.787 174.584 176.300 0.118 0.000 1.193 308 D CA -1.655 52.392 54.000 0.078 0.000 0.881 308 D CB 1.486 42.334 40.800 0.079 0.000 1.143 308 D HN -0.011 nan 8.370 nan 0.000 0.473 309 P HA -0.151 nan 4.420 nan 0.000 0.217 309 P C 1.066 178.433 177.300 0.111 0.000 1.148 309 P CA 1.200 64.357 63.100 0.095 0.000 0.834 309 P CB 0.185 31.927 31.700 0.070 0.000 0.783 310 R N -1.197 119.380 120.500 0.127 0.000 2.241 310 R HA -0.015 4.325 4.340 -0.001 0.000 0.224 310 R C 0.604 177.019 176.300 0.193 0.000 1.101 310 R CA 0.794 56.980 56.100 0.144 0.000 0.995 310 R CB -0.491 29.902 30.300 0.156 0.000 0.870 310 R HN 0.257 nan 8.270 nan 0.000 0.463 311 N N 0.374 119.224 118.700 0.250 0.000 2.321 311 N HA 0.063 4.803 4.740 -0.001 0.000 0.242 311 N C 0.313 175.985 175.510 0.269 0.000 1.141 311 N CA 0.070 53.345 53.050 0.376 0.000 0.864 311 N CB 0.737 39.576 38.487 0.587 0.000 1.100 311 N HN 0.129 nan 8.380 nan 0.000 0.510 312 K N 1.144 121.638 120.400 0.158 0.000 2.044 312 K HA -0.168 4.152 4.320 -0.001 0.000 0.210 312 K C 2.075 178.738 176.600 0.104 0.000 1.049 312 K CA 1.257 57.620 56.287 0.127 0.000 0.927 312 K CB 0.112 32.660 32.500 0.081 0.000 0.713 312 K HN 0.285 nan 8.250 nan 0.000 0.443 313 R N 0.470 120.974 120.500 0.008 0.000 2.092 313 R HA -0.132 4.208 4.340 -0.001 0.000 0.231 313 R C 1.647 177.947 176.300 0.000 0.000 1.119 313 R CA 1.477 57.545 56.100 -0.054 0.000 0.970 313 R CB -0.826 29.379 30.300 -0.159 0.000 0.864 313 R HN 0.385 nan 8.270 nan 0.000 0.440 314 H N 1.107 120.308 119.070 0.219 0.000 2.326 314 H HA -0.047 4.509 4.556 -0.001 0.000 0.301 314 H C 2.174 177.724 175.328 0.371 0.000 1.081 314 H CA 1.396 57.657 56.048 0.354 0.000 1.334 314 H CB -0.274 29.763 29.762 0.458 0.000 1.385 314 H HN 0.141 nan 8.280 nan 0.000 0.504 315 L N 1.128 122.611 121.223 0.434 0.000 2.079 315 L HA -0.089 4.251 4.340 -0.001 0.000 0.210 315 L C 2.461 179.542 176.870 0.351 0.000 1.081 315 L CA 1.716 56.775 54.840 0.366 0.000 0.752 315 L CB -0.813 41.440 42.059 0.323 0.000 0.896 315 L HN 0.188 nan 8.230 nan 0.000 0.433 316 A N -0.586 122.385 122.820 0.251 0.000 1.855 316 A HA -0.258 4.062 4.320 -0.001 0.000 0.215 316 A C 2.461 180.128 177.584 0.138 0.000 1.191 316 A CA 1.884 54.031 52.037 0.183 0.000 0.613 316 A CB -0.643 18.409 19.000 0.087 0.000 0.829 316 A HN 0.470 nan 8.150 nan 0.000 0.442 317 K N -0.861 119.569 120.400 0.049 0.000 2.147 317 K HA -0.131 4.188 4.320 -0.001 0.000 0.205 317 K C 1.833 178.410 176.600 -0.039 0.000 1.049 317 K CA 1.392 57.596 56.287 -0.138 0.000 0.936 317 K CB -0.227 31.963 32.500 -0.515 0.000 0.722 317 K HN 0.345 nan 8.250 nan 0.000 0.446 318 L N 0.532 121.875 121.223 0.200 0.000 2.072 318 L HA -0.099 4.241 4.340 -0.001 0.000 0.205 318 L C 1.653 178.615 176.870 0.153 0.000 1.079 318 L CA 1.880 56.893 54.840 0.287 0.000 0.752 318 L CB -0.538 41.710 42.059 0.315 0.000 0.906 318 L HN 0.234 nan 8.230 nan 0.000 0.436 319 H N -1.160 118.010 119.070 0.166 0.000 2.456 319 H HA -0.113 4.442 4.556 -0.001 0.000 0.296 319 H C 2.160 177.546 175.328 0.098 0.000 1.079 319 H CA 1.608 57.736 56.048 0.133 0.000 1.322 319 H CB 0.201 30.030 29.762 0.111 0.000 1.388 319 H HN 0.511 nan 8.280 nan 0.000 0.538 320 Q N -0.117 119.786 119.800 0.172 0.000 2.123 320 Q HA -0.150 4.190 4.340 -0.001 0.000 0.199 320 Q C 2.066 178.110 176.000 0.073 0.000 0.966 320 Q CA 1.149 57.004 55.803 0.087 0.000 0.845 320 Q CB 0.182 28.935 28.738 0.025 0.000 0.907 320 Q HN 0.583 nan 8.270 nan 0.000 0.439 321 E N 0.939 121.205 120.200 0.111 0.000 2.152 321 E HA -0.157 4.193 4.350 -0.001 0.000 0.192 321 E C 1.854 178.600 176.600 0.243 0.000 0.983 321 E CA 0.985 57.475 56.400 0.150 0.000 0.818 321 E CB 0.084 29.913 29.700 0.215 0.000 0.758 321 E HN 0.523 nan 8.360 nan 0.000 0.467 322 I N -2.388 118.341 120.570 0.266 0.000 3.081 322 I HA 0.048 4.218 4.170 -0.001 0.000 0.274 322 I C 1.302 177.592 176.117 0.287 0.000 1.178 322 I CA 0.215 61.756 61.300 0.402 0.000 1.460 322 I CB -0.216 37.945 38.000 0.268 0.000 1.137 322 I HN -0.195 nan 8.210 nan 0.000 0.443 323 D N 2.097 122.606 120.400 0.182 0.000 2.170 323 D HA -0.281 4.359 4.640 -0.001 0.000 0.193 323 D C 1.963 178.295 176.300 0.054 0.000 1.004 323 D CA 2.177 56.253 54.000 0.126 0.000 0.860 323 D CB -0.212 40.647 40.800 0.098 0.000 0.931 323 D HN 0.514 nan 8.370 nan 0.000 0.448 324 E N -0.186 119.982 120.200 -0.054 0.000 2.097 324 E HA -0.140 4.210 4.350 -0.001 0.000 0.196 324 E C 0.204 176.687 176.600 -0.195 0.000 1.000 324 E CA 0.599 56.876 56.400 -0.204 0.000 0.804 324 E CB -0.321 29.129 29.700 -0.417 0.000 0.740 324 E HN 0.232 nan 8.360 nan 0.000 0.454 325 F N 1.031 121.008 119.950 0.044 0.000 2.450 325 F HA 0.242 4.768 4.527 -0.000 0.000 0.339 325 F C -1.360 174.467 175.800 0.044 0.000 1.146 325 F CA -1.972 56.053 58.000 0.042 0.000 1.267 325 F CB 0.005 39.031 39.000 0.044 0.000 1.178 325 F HN 0.050 nan 8.300 nan 0.000 0.585 326 P HA 0.231 nan 4.420 nan 0.000 0.289 326 P C -0.049 177.337 177.300 0.143 0.000 1.299 326 P CA -0.289 62.903 63.100 0.153 0.000 0.766 326 P CB 0.522 32.298 31.700 0.126 0.000 1.226 327 A N -0.683 122.199 122.820 0.102 0.000 1.858 327 A HA -0.177 4.143 4.320 -0.001 0.000 0.216 327 A C 1.378 179.010 177.584 0.080 0.000 1.190 327 A CA 1.315 53.404 52.037 0.087 0.000 0.617 327 A CB -1.316 17.726 19.000 0.071 0.000 0.827 327 A HN 0.637 nan 8.150 nan 0.000 0.443 328 Q N 0.781 120.627 119.800 0.077 0.000 2.472 328 Q HA 0.443 4.783 4.340 -0.001 0.000 0.227 328 Q C -1.050 174.989 176.000 0.066 0.000 1.156 328 Q CA -0.348 55.496 55.803 0.068 0.000 0.924 328 Q CB -0.093 28.684 28.738 0.066 0.000 1.354 328 Q HN 0.549 nan 8.270 nan 0.000 0.525 329 L N 3.075 124.320 121.223 0.038 0.000 2.461 329 L HA 0.147 4.487 4.340 -0.001 0.000 0.272 329 L C 0.511 177.389 176.870 0.013 0.000 1.197 329 L CA 0.262 55.095 54.840 -0.012 0.000 0.836 329 L CB 0.471 42.464 42.059 -0.110 0.000 1.105 329 L HN 0.650 nan 8.230 nan 0.000 0.477 330 N N -0.411 118.295 118.700 0.009 0.000 2.384 330 N HA 0.079 4.819 4.740 -0.001 0.000 0.301 330 N C 0.527 176.079 175.510 0.071 0.000 1.133 330 N CA -0.739 52.352 53.050 0.068 0.000 0.853 330 N CB 1.217 39.758 38.487 0.091 0.000 1.241 330 N HN 0.524 nan 8.380 nan 0.000 0.502 331 Y N 2.656 122.966 120.300 0.016 0.000 2.062 331 Y HA -0.336 4.214 4.550 -0.001 0.000 0.276 331 Y C 1.396 177.302 175.900 0.009 0.000 1.189 331 Y CA 2.134 60.246 58.100 0.020 0.000 1.130 331 Y CB -0.303 38.190 38.460 0.055 0.000 0.959 331 Y HN 0.663 nan 8.280 nan 0.000 0.499 332 D N -0.051 120.266 120.400 -0.138 0.000 2.087 332 D HA -0.235 4.405 4.640 -0.001 0.000 0.192 332 D C 1.948 178.159 176.300 -0.147 0.000 0.993 332 D CA 1.838 55.712 54.000 -0.211 0.000 0.828 332 D CB -0.836 39.944 40.800 -0.032 0.000 0.968 332 D HN 0.708 nan 8.370 nan 0.000 0.448 333 N N 0.745 119.417 118.700 -0.047 0.000 2.348 333 N HA -0.116 4.624 4.740 -0.001 0.000 0.185 333 N C 1.749 177.087 175.510 -0.286 0.000 1.019 333 N CA 0.792 53.836 53.050 -0.010 0.000 0.880 333 N CB -0.117 38.462 38.487 0.154 0.000 0.965 333 N HN 0.135 nan 8.380 nan 0.000 0.437 334 V N 0.776 120.520 119.914 -0.283 0.000 2.725 334 V HA -0.008 4.112 4.120 -0.001 0.000 0.247 334 V C 2.493 178.466 176.094 -0.201 0.000 1.058 334 V CA 0.768 62.906 62.300 -0.270 0.000 1.080 334 V CB -0.176 31.528 31.823 -0.198 0.000 0.713 334 V HN 0.194 nan 8.190 nan 0.000 0.465 335 M N 0.068 119.511 119.600 -0.261 0.000 2.115 335 M HA -0.019 4.461 4.480 -0.001 0.000 0.261 335 M C 1.707 177.914 176.300 -0.154 0.000 1.079 335 M CA 1.771 56.911 55.300 -0.266 0.000 1.143 335 M CB -0.759 31.518 32.600 -0.539 0.000 1.332 335 M HN 0.356 nan 8.290 nan 0.000 0.421 336 E N -0.891 119.232 120.200 -0.128 0.000 2.583 336 E HA 0.080 4.430 4.350 -0.001 0.000 0.213 336 E C 0.588 177.197 176.600 0.015 0.000 0.989 336 E CA -0.030 56.337 56.400 -0.054 0.000 0.991 336 E CB 0.609 30.275 29.700 -0.058 0.000 1.040 336 E HN 0.490 nan 8.360 nan 0.000 0.481 337 E N 0.318 120.553 120.200 0.058 0.000 2.562 337 E HA 0.222 4.572 4.350 -0.001 0.000 0.214 337 E C 0.019 176.781 176.600 0.271 0.000 0.979 337 E CA 0.044 56.567 56.400 0.206 0.000 1.002 337 E CB 0.639 30.576 29.700 0.396 0.000 1.048 337 E HN 0.140 nan 8.360 nan 0.000 0.488 338 M N 1.897 121.564 119.600 0.113 0.000 2.634 338 M HA 0.210 4.689 4.480 -0.001 0.000 0.211 338 M C -2.186 174.159 176.300 0.074 0.000 1.019 338 M CA -1.595 53.769 55.300 0.107 0.000 0.834 338 M CB 1.093 33.688 32.600 -0.008 0.000 1.376 338 M HN -0.121 nan 8.290 nan 0.000 0.465 339 P HA -0.104 nan 4.420 nan 0.000 0.213 339 P C 1.401 178.761 177.300 0.100 0.000 1.169 339 P CA 1.204 64.352 63.100 0.078 0.000 0.885 339 P CB 0.044 31.799 31.700 0.091 0.000 0.779 340 F N 1.435 121.395 119.950 0.016 0.000 2.161 340 F HA -0.107 4.420 4.527 -0.000 0.000 0.300 340 F C 2.381 178.192 175.800 0.019 0.000 1.089 340 F CA 1.535 59.541 58.000 0.010 0.000 1.282 340 F CB -1.029 37.991 39.000 0.033 0.000 1.010 340 F HN -0.087 nan 8.300 nan 0.000 0.485 341 A N -0.390 122.489 122.820 0.099 0.000 1.978 341 A HA -0.276 4.044 4.320 -0.001 0.000 0.220 341 A C 2.214 179.761 177.584 -0.061 0.000 1.170 341 A CA 1.980 54.028 52.037 0.018 0.000 0.636 341 A CB -0.922 18.117 19.000 0.064 0.000 0.810 341 A HN 0.590 nan 8.150 nan 0.000 0.448 342 E N -0.468 119.696 120.200 -0.060 0.000 2.112 342 E HA -0.180 4.169 4.350 -0.001 0.000 0.190 342 E C 2.073 178.600 176.600 -0.122 0.000 0.979 342 E CA 0.899 57.259 56.400 -0.066 0.000 0.814 342 E CB -0.143 29.525 29.700 -0.053 0.000 0.762 342 E HN 0.763 nan 8.360 nan 0.000 0.460 343 Q N -0.317 119.355 119.800 -0.213 0.000 2.226 343 Q HA -0.153 4.186 4.340 -0.001 0.000 0.204 343 Q C 2.317 178.083 176.000 -0.390 0.000 0.975 343 Q CA 1.397 57.014 55.803 -0.310 0.000 0.866 343 Q CB -0.043 28.473 28.738 -0.370 0.000 0.915 343 Q HN 0.408 nan 8.270 nan 0.000 0.440 344 C N 0.115 119.177 119.300 -0.397 0.000 2.466 344 C HA -0.012 4.448 4.460 -0.001 0.000 0.278 344 C C 2.856 177.894 174.990 0.081 0.000 1.288 344 C CA 0.646 59.556 59.018 -0.180 0.000 1.722 344 C CB -1.046 26.663 27.740 -0.052 0.000 2.017 344 C HN 0.627 nan 8.230 nan 0.000 0.488 345 A N 0.264 123.106 122.820 0.037 0.000 1.930 345 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 345 A C 2.254 179.911 177.584 0.122 0.000 1.175 345 A CA 1.521 53.620 52.037 0.103 0.000 0.627 345 A CB -0.549 18.499 19.000 0.081 0.000 0.815 345 A HN 0.640 nan 8.150 nan 0.000 0.443 346 R N -0.820 119.706 120.500 0.043 0.000 2.153 346 R HA -0.070 4.270 4.340 -0.001 0.000 0.218 346 R C 1.934 178.226 176.300 -0.012 0.000 1.072 346 R CA 1.322 57.451 56.100 0.049 0.000 0.990 346 R CB -0.007 30.237 30.300 -0.093 0.000 0.889 346 R HN 0.539 nan 8.270 nan 0.000 0.452 347 E N -0.406 119.727 120.200 -0.112 0.000 2.299 347 E HA 0.006 4.356 4.350 -0.001 0.000 0.193 347 E C 1.313 177.913 176.600 0.001 0.000 0.998 347 E CA 1.121 57.389 56.400 -0.220 0.000 0.851 347 E CB 0.192 29.523 29.700 -0.615 0.000 0.795 347 E HN 0.110 nan 8.360 nan 0.000 0.492 348 S N 0.190 116.049 115.700 0.266 0.000 2.368 348 S HA -0.038 4.431 4.470 -0.001 0.000 0.224 348 S C 1.871 176.509 174.600 0.062 0.000 1.029 348 S CA 1.121 59.475 58.200 0.258 0.000 0.988 348 S CB -0.231 63.148 63.200 0.297 0.000 0.838 348 S HN 0.311 nan 8.310 nan 0.000 0.462 349 I N 1.118 121.760 120.570 0.120 0.000 2.546 349 I HA -0.079 4.090 4.170 -0.001 0.000 0.255 349 I C 2.735 178.939 176.117 0.145 0.000 1.163 349 I CA 0.709 62.071 61.300 0.105 0.000 1.457 349 I CB -0.170 37.899 38.000 0.114 0.000 1.092 349 I HN 0.132 nan 8.210 nan 0.000 0.434 350 R N 1.430 122.016 120.500 0.142 0.000 2.093 350 R HA -0.079 4.260 4.340 -0.001 0.000 0.224 350 R C 2.253 178.493 176.300 -0.099 0.000 1.101 350 R CA 1.340 57.410 56.100 -0.050 0.000 0.979 350 R CB -0.348 29.800 30.300 -0.254 0.000 0.877 350 R HN 0.289 nan 8.270 nan 0.000 0.441 351 R N 0.121 120.553 120.500 -0.113 0.000 2.057 351 R HA -0.044 4.296 4.340 -0.001 0.000 0.229 351 R C -0.299 175.925 176.300 -0.128 0.000 1.136 351 R CA 1.561 57.578 56.100 -0.137 0.000 0.952 351 R CB 0.160 30.372 30.300 -0.148 0.000 0.848 351 R HN 0.074 nan 8.270 nan 0.000 0.430 352 D N 1.919 122.192 120.400 -0.210 0.000 2.412 352 D HA 0.219 4.859 4.640 -0.001 0.000 0.276 352 D C -2.530 173.748 176.300 -0.036 0.000 1.196 352 D CA -1.406 52.487 54.000 -0.178 0.000 0.905 352 D CB 1.665 42.162 40.800 -0.504 0.000 1.081 352 D HN 0.238 nan 8.370 nan 0.000 0.502 353 P HA 0.091 nan 4.420 nan 0.000 0.266 353 P C -2.009 175.302 177.300 0.018 0.000 1.215 353 P CA -0.939 62.139 63.100 -0.037 0.000 0.763 353 P CB 1.173 32.762 31.700 -0.184 0.000 0.806 354 P HA -0.095 nan 4.420 nan 0.000 0.214 354 P C 0.512 177.835 177.300 0.038 0.000 1.163 354 P CA 1.405 64.538 63.100 0.056 0.000 0.889 354 P CB 0.071 31.793 31.700 0.037 0.000 0.790 355 L N -0.043 121.185 121.223 0.007 0.000 2.312 355 L HA 0.088 4.428 4.340 -0.001 0.000 0.287 355 L C 1.299 178.167 176.870 -0.004 0.000 1.091 355 L CA -0.278 54.578 54.840 0.026 0.000 0.846 355 L CB 0.956 43.045 42.059 0.049 0.000 1.219 355 L HN -0.162 nan 8.230 nan 0.000 0.439 356 V N 3.702 123.630 119.914 0.023 0.000 2.951 356 V HA 0.076 4.195 4.120 -0.001 0.000 0.255 356 V C 0.835 176.924 176.094 -0.008 0.000 1.088 356 V CA 1.181 63.488 62.300 0.012 0.000 1.109 356 V CB 0.038 31.904 31.823 0.073 0.000 0.724 356 V HN 0.647 nan 8.190 nan 0.000 0.471 357 M N 0.659 120.269 119.600 0.017 0.000 2.182 357 M HA 0.376 4.856 4.480 -0.001 0.000 0.266 357 M C -1.658 174.670 176.300 0.048 0.000 0.989 357 M CA 0.020 55.329 55.300 0.016 0.000 1.003 357 M CB 2.194 34.841 32.600 0.079 0.000 1.812 357 M HN 0.015 nan 8.290 nan 0.000 0.472 358 L N 4.475 125.697 121.223 -0.001 0.000 2.255 358 L HA 0.553 4.893 4.340 -0.001 0.000 0.289 358 L C -0.273 176.691 176.870 0.157 0.000 1.046 358 L CA -0.131 54.786 54.840 0.129 0.000 0.816 358 L CB 0.994 43.162 42.059 0.181 0.000 1.197 358 L HN 0.680 nan 8.230 nan 0.000 0.427 359 M N 3.731 123.490 119.600 0.266 0.000 2.654 359 M HA 0.635 5.115 4.480 -0.001 0.000 0.310 359 M C -0.450 175.944 176.300 0.156 0.000 1.211 359 M CA -0.619 54.821 55.300 0.234 0.000 0.947 359 M CB 1.918 34.637 32.600 0.198 0.000 1.647 359 M HN 0.411 nan 8.290 nan 0.000 0.481 360 R N 1.105 121.669 120.500 0.107 0.000 2.604 360 R HA 0.383 4.723 4.340 -0.001 0.000 0.270 360 R C -1.588 174.699 176.300 -0.022 0.000 1.052 360 R CA -1.060 54.997 56.100 -0.073 0.000 0.902 360 R CB 1.890 32.042 30.300 -0.248 0.000 1.233 360 R HN 0.443 nan 8.270 nan 0.000 0.455 361 K N 1.252 121.626 120.400 -0.044 0.000 2.258 361 K HA 0.265 4.585 4.320 -0.001 0.000 0.284 361 K C -0.586 176.002 176.600 -0.021 0.000 1.051 361 K CA -0.323 55.961 56.287 -0.006 0.000 0.923 361 K CB 1.035 33.544 32.500 0.015 0.000 1.046 361 K HN 0.334 nan 8.250 nan 0.000 0.474 362 V N 7.851 127.761 119.914 -0.006 0.000 2.387 362 V HA 0.073 4.193 4.120 -0.001 0.000 0.260 362 V C 1.114 177.210 176.094 0.002 0.000 1.054 362 V CA -0.078 62.215 62.300 -0.011 0.000 0.967 362 V CB 0.284 32.104 31.823 -0.005 0.000 1.036 362 V HN 0.795 nan 8.190 nan 0.000 0.481 363 L N 3.307 124.531 121.223 0.002 0.000 2.202 363 L HA 0.234 4.573 4.340 -0.001 0.000 0.205 363 L C 0.953 177.832 176.870 0.014 0.000 1.083 363 L CA 0.886 55.736 54.840 0.018 0.000 0.790 363 L CB -0.032 42.047 42.059 0.032 0.000 0.942 363 L HN 0.484 nan 8.230 nan 0.000 0.452 364 K N 0.587 120.991 120.400 0.006 0.000 2.378 364 K HA 0.382 4.702 4.320 -0.001 0.000 0.252 364 K C -2.485 174.117 176.600 0.003 0.000 0.931 364 K CA -2.057 54.234 56.287 0.007 0.000 0.794 364 K CB 2.099 34.603 32.500 0.007 0.000 1.181 364 K HN -0.259 nan 8.250 nan 0.000 0.425 365 P HA -0.051 nan 4.420 nan 0.000 0.267 365 P C -0.589 176.717 177.300 0.010 0.000 1.201 365 P CA -0.233 62.873 63.100 0.010 0.000 0.775 365 P CB 0.551 32.260 31.700 0.014 0.000 0.854 366 V N -0.722 119.200 119.914 0.014 0.000 2.686 366 V HA 0.426 4.546 4.120 -0.001 0.000 0.306 366 V C -0.506 175.607 176.094 0.032 0.000 1.065 366 V CA -1.152 61.158 62.300 0.017 0.000 0.894 366 V CB 1.717 33.545 31.823 0.009 0.000 1.004 366 V HN 0.199 nan 8.190 nan 0.000 0.424 367 Q N 2.736 122.557 119.800 0.034 0.000 2.286 367 Q HA 0.606 4.945 4.340 -0.001 0.000 0.267 367 Q C -0.550 175.482 176.000 0.055 0.000 1.028 367 Q CA 0.351 56.180 55.803 0.043 0.000 0.901 367 Q CB 1.376 30.133 28.738 0.031 0.000 1.183 367 Q HN 0.819 nan 8.270 nan 0.000 0.392 368 V N 3.261 123.221 119.914 0.076 0.000 2.525 368 V HA 0.697 4.816 4.120 -0.001 0.000 0.299 368 V C 0.764 176.919 176.094 0.101 0.000 1.034 368 V CA 0.008 62.362 62.300 0.091 0.000 0.863 368 V CB 1.029 32.910 31.823 0.097 0.000 0.999 368 V HN 1.006 nan 8.190 nan 0.000 0.423 369 G N 5.475 114.317 108.800 0.070 0.000 2.614 369 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.303 369 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.303 369 G C 0.887 175.761 174.900 -0.042 0.000 1.270 369 G CA 0.950 46.063 45.100 0.021 0.000 0.988 369 G HN 0.995 nan 8.290 nan 0.000 0.551 370 K N -0.726 119.571 120.400 -0.171 0.000 2.228 370 K HA 0.141 4.461 4.320 -0.001 0.000 0.202 370 K C 1.213 177.700 176.600 -0.188 0.000 1.051 370 K CA 0.984 57.131 56.287 -0.233 0.000 0.960 370 K CB -0.053 32.221 32.500 -0.376 0.000 0.743 370 K HN 0.528 nan 8.250 nan 0.000 0.458 371 Y N 1.154 121.460 120.300 0.010 0.000 2.296 371 Y HA 0.216 4.766 4.550 -0.000 0.000 0.343 371 Y C 0.350 176.252 175.900 0.004 0.000 1.292 371 Y CA -1.074 57.029 58.100 0.005 0.000 1.490 371 Y CB 0.873 39.334 38.460 0.002 0.000 1.359 371 Y HN -0.278 nan 8.280 nan 0.000 0.599 372 V N 2.256 122.289 119.914 0.198 0.000 2.487 372 V HA 0.296 4.416 4.120 -0.001 0.000 0.298 372 V C -0.982 175.151 176.094 0.066 0.000 1.028 372 V CA -0.884 61.475 62.300 0.100 0.000 0.860 372 V CB 1.839 33.703 31.823 0.068 0.000 0.991 372 V HN 0.460 nan 8.190 nan 0.000 0.427 373 V N 8.897 128.836 119.914 0.041 0.000 2.348 373 V HA 0.375 4.494 4.120 -0.001 0.000 0.270 373 V C -2.011 174.089 176.094 0.010 0.000 1.037 373 V CA -1.535 60.772 62.300 0.012 0.000 0.872 373 V CB 1.421 33.248 31.823 0.007 0.000 1.002 373 V HN 0.731 nan 8.190 nan 0.000 0.464 374 P HA 0.219 nan 4.420 nan 0.000 0.277 374 P C -0.172 177.131 177.300 0.005 0.000 1.240 374 P CA -0.557 62.547 63.100 0.006 0.000 0.798 374 P CB 0.748 32.450 31.700 0.004 0.000 0.979 375 E N 0.386 120.592 120.200 0.009 0.000 2.436 375 E HA 0.173 4.523 4.350 -0.001 0.000 0.262 375 E C 0.866 177.473 176.600 0.013 0.000 1.063 375 E CA 0.035 56.441 56.400 0.011 0.000 0.944 375 E CB -0.585 29.123 29.700 0.013 0.000 0.950 375 E HN 0.773 nan 8.360 nan 0.000 0.444 376 G N 1.862 110.673 108.800 0.017 0.000 2.284 376 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.247 376 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.247 376 G C 0.082 174.995 174.900 0.022 0.000 1.012 376 G CA 0.335 45.448 45.100 0.023 0.000 0.618 376 G HN 0.747 nan 8.290 nan 0.000 0.521 377 D N 0.763 121.171 120.400 0.013 0.000 2.382 377 D HA 0.385 5.025 4.640 -0.001 0.000 0.245 377 D C 0.838 177.146 176.300 0.014 0.000 1.120 377 D CA -0.246 53.758 54.000 0.007 0.000 0.890 377 D CB 0.439 41.234 40.800 -0.008 0.000 1.201 377 D HN 0.312 nan 8.370 nan 0.000 0.433 378 I N 4.311 124.893 120.570 0.020 0.000 2.416 378 I HA 0.177 4.346 4.170 -0.001 0.000 0.288 378 I C 0.654 176.782 176.117 0.018 0.000 1.051 378 I CA -0.348 60.974 61.300 0.038 0.000 1.375 378 I CB 1.074 39.119 38.000 0.076 0.000 1.407 378 I HN 0.238 nan 8.210 nan 0.000 0.516 379 I N 6.221 126.817 120.570 0.043 0.000 2.562 379 I HA 0.747 4.917 4.170 -0.001 0.000 0.301 379 I C -0.564 175.621 176.117 0.113 0.000 1.003 379 I CA -0.297 61.035 61.300 0.054 0.000 1.127 379 I CB 1.567 39.623 38.000 0.092 0.000 1.304 379 I HN 0.673 nan 8.210 nan 0.000 0.446 380 A N 5.949 128.728 122.820 -0.068 0.000 2.520 380 A HA 0.577 4.897 4.320 -0.001 0.000 0.298 380 A C -1.589 175.555 177.584 -0.733 0.000 1.051 380 A CA -0.493 51.377 52.037 -0.278 0.000 0.690 380 A CB 1.347 20.249 19.000 -0.164 0.000 1.281 380 A HN 0.794 nan 8.150 nan 0.000 0.402 381 C N 1.832 120.379 119.300 -1.255 0.000 2.298 381 C HA 0.776 5.235 4.460 -0.001 0.000 0.323 381 C C 0.447 175.088 174.990 -0.581 0.000 1.284 381 C CA -0.201 58.144 59.018 -1.121 0.000 1.577 381 C CB 0.096 26.769 27.740 -1.778 0.000 2.249 381 C HN 0.952 nan 8.230 nan 0.000 0.497 382 S N 6.785 122.260 115.700 -0.374 0.000 2.434 382 S HA 0.417 4.886 4.470 -0.001 0.000 0.318 382 S C -1.471 173.007 174.600 -0.203 0.000 1.062 382 S CA -1.118 56.958 58.200 -0.207 0.000 1.116 382 S CB 0.882 64.020 63.200 -0.103 0.000 0.977 382 S HN 0.761 nan 8.310 nan 0.000 0.480 383 P HA -0.126 nan 4.420 nan 0.000 0.216 383 P C 1.551 178.547 177.300 -0.507 0.000 1.150 383 P CA 0.478 63.278 63.100 -0.499 0.000 0.843 383 P CB 0.112 31.521 31.700 -0.485 0.000 0.787 384 L N -0.790 120.294 121.223 -0.232 0.000 1.989 384 L HA -0.163 4.177 4.340 -0.001 0.000 0.211 384 L C 2.154 179.013 176.870 -0.020 0.000 1.071 384 L CA 1.894 56.678 54.840 -0.093 0.000 0.749 384 L CB -1.551 40.485 42.059 -0.037 0.000 0.890 384 L HN -0.114 nan 8.230 nan 0.000 0.431 385 L N -1.022 120.200 121.223 -0.002 0.000 1.988 385 L HA -0.116 4.224 4.340 -0.001 0.000 0.207 385 L C 2.477 179.426 176.870 0.131 0.000 1.071 385 L CA 2.137 57.020 54.840 0.072 0.000 0.744 385 L CB -1.045 41.068 42.059 0.089 0.000 0.893 385 L HN 0.297 nan 8.230 nan 0.000 0.433 386 S N -0.899 114.888 115.700 0.145 0.000 2.402 386 S HA -0.224 4.245 4.470 -0.001 0.000 0.233 386 S C 1.771 176.637 174.600 0.442 0.000 1.030 386 S CA 1.359 59.748 58.200 0.315 0.000 1.003 386 S CB -0.692 62.787 63.200 0.465 0.000 0.813 386 S HN 0.590 nan 8.310 nan 0.000 0.477 387 H N 1.212 120.343 119.070 0.101 0.000 2.555 387 H HA 0.150 4.705 4.556 -0.000 0.000 0.269 387 H C 1.512 176.823 175.328 -0.028 0.000 0.988 387 H CA 0.661 56.649 56.048 -0.100 0.000 1.178 387 H CB 0.017 29.637 29.762 -0.237 0.000 1.373 387 H HN 0.338 nan 8.280 nan 0.000 0.588 388 Q N -0.049 119.878 119.800 0.212 0.000 2.247 388 Q HA 0.053 4.393 4.340 -0.001 0.000 0.204 388 Q C -0.015 176.110 176.000 0.209 0.000 0.872 388 Q CA -0.083 55.821 55.803 0.168 0.000 0.951 388 Q CB 0.490 29.299 28.738 0.118 0.000 1.099 388 Q HN 0.312 nan 8.270 nan 0.000 0.501 389 D N 2.110 122.684 120.400 0.292 0.000 2.368 389 D HA -0.046 4.594 4.640 -0.001 0.000 0.268 389 D C 0.684 177.089 176.300 0.175 0.000 1.298 389 D CA 0.319 54.450 54.000 0.218 0.000 0.938 389 D CB 0.718 41.639 40.800 0.202 0.000 1.101 389 D HN 0.153 nan 8.370 nan 0.000 0.509 390 E N 2.607 122.878 120.200 0.119 0.000 2.160 390 E HA -0.246 4.104 4.350 -0.001 0.000 0.195 390 E C 1.419 178.049 176.600 0.049 0.000 0.991 390 E CA 0.893 57.346 56.400 0.087 0.000 0.810 390 E CB 0.280 30.019 29.700 0.066 0.000 0.742 390 E HN 0.667 nan 8.360 nan 0.000 0.466 391 E N 0.763 120.980 120.200 0.029 0.000 2.016 391 E HA -0.139 4.211 4.350 -0.001 0.000 0.190 391 E C 2.064 178.603 176.600 -0.101 0.000 0.985 391 E CA 1.022 57.416 56.400 -0.012 0.000 0.802 391 E CB -0.103 29.608 29.700 0.018 0.000 0.762 391 E HN 0.174 nan 8.360 nan 0.000 0.448 392 A N 0.050 122.752 122.820 -0.196 0.000 1.930 392 A HA -0.011 4.309 4.320 -0.001 0.000 0.217 392 A C 0.577 177.688 177.584 -0.788 0.000 1.175 392 A CA 0.831 52.542 52.037 -0.543 0.000 0.627 392 A CB -0.190 18.383 19.000 -0.711 0.000 0.815 392 A HN 0.328 nan 8.150 nan 0.000 0.443 393 F N 0.605 120.548 119.950 -0.013 0.000 2.660 393 F HA 0.320 4.847 4.527 -0.000 0.000 0.352 393 F C -2.549 173.246 175.800 -0.008 0.000 1.257 393 F CA -2.603 55.383 58.000 -0.023 0.000 1.200 393 F CB 1.161 40.142 39.000 -0.031 0.000 1.473 393 F HN -0.028 nan 8.300 nan 0.000 0.561 394 P HA -0.099 nan 4.420 nan 0.000 0.268 394 P C 0.004 177.352 177.300 0.081 0.000 1.208 394 P CA 0.360 63.504 63.100 0.073 0.000 0.777 394 P CB 0.632 32.353 31.700 0.035 0.000 0.875 395 N N 0.810 119.550 118.700 0.067 0.000 2.696 395 N HA -0.150 4.589 4.740 -0.001 0.000 0.256 395 N C -1.585 173.964 175.510 0.065 0.000 1.031 395 N CA -0.435 52.652 53.050 0.061 0.000 0.730 395 N CB -0.420 38.098 38.487 0.051 0.000 0.894 395 N HN 0.318 nan 8.380 nan 0.000 0.544 396 P HA -0.095 nan 4.420 nan 0.000 0.217 396 P C 0.913 178.232 177.300 0.031 0.000 1.151 396 P CA 0.786 63.927 63.100 0.068 0.000 0.828 396 P CB 0.215 31.971 31.700 0.094 0.000 0.788 397 R N 0.129 120.656 120.500 0.045 0.000 2.323 397 R HA 0.081 4.421 4.340 -0.001 0.000 0.198 397 R C 0.813 177.148 176.300 0.058 0.000 0.988 397 R CA 0.185 56.311 56.100 0.043 0.000 1.041 397 R CB -0.953 29.380 30.300 0.055 0.000 0.926 397 R HN 0.426 nan 8.270 nan 0.000 0.476 398 E N 0.301 120.536 120.200 0.059 0.000 2.146 398 E HA 0.007 4.357 4.350 -0.001 0.000 0.282 398 E C -1.127 175.514 176.600 0.069 0.000 0.989 398 E CA -0.717 55.734 56.400 0.085 0.000 0.799 398 E CB 0.567 30.313 29.700 0.077 0.000 1.088 398 E HN 0.064 nan 8.360 nan 0.000 0.397 399 W N 6.398 127.629 121.300 -0.114 0.000 2.585 399 W HA 0.178 4.838 4.660 -0.000 0.000 0.337 399 W C -0.697 175.715 176.519 -0.179 0.000 1.226 399 W CA -0.328 56.867 57.345 -0.250 0.000 1.463 399 W CB 0.119 29.284 29.460 -0.491 0.000 1.458 399 W HN 0.426 nan 8.180 nan 0.000 0.458 400 N N 7.112 125.481 118.700 -0.551 0.000 2.531 400 N HA 0.375 5.115 4.740 -0.001 0.000 0.268 400 N C -2.173 172.868 175.510 -0.782 0.000 1.023 400 N CA -2.334 50.383 53.050 -0.554 0.000 0.896 400 N CB 1.996 40.385 38.487 -0.164 0.000 1.233 400 N HN 0.042 nan 8.380 nan 0.000 0.512 401 P HA 0.035 nan 4.420 nan 0.000 0.242 401 P C 0.280 177.337 177.300 -0.406 0.000 1.197 401 P CA 0.752 63.300 63.100 -0.921 0.000 0.765 401 P CB 0.457 31.427 31.700 -1.216 0.000 0.936 402 E N -0.437 119.646 120.200 -0.195 0.000 2.472 402 E HA 0.037 4.387 4.350 -0.001 0.000 0.196 402 E C 0.901 177.473 176.600 -0.046 0.000 1.033 402 E CA 0.023 56.423 56.400 0.001 0.000 0.886 402 E CB 0.027 29.802 29.700 0.125 0.000 0.944 402 E HN 0.474 nan 8.360 nan 0.000 0.492 403 R N 1.211 121.648 120.500 -0.105 0.000 2.863 403 R HA 0.117 4.457 4.340 -0.001 0.000 0.273 403 R C 0.405 176.672 176.300 -0.055 0.000 1.057 403 R CA -0.256 55.806 56.100 -0.064 0.000 1.191 403 R CB 0.158 30.424 30.300 -0.057 0.000 1.104 403 R HN -0.268 nan 8.270 nan 0.000 0.519 404 N N 1.640 120.318 118.700 -0.036 0.000 2.437 404 N HA 0.067 4.806 4.740 -0.001 0.000 0.243 404 N C 0.515 175.999 175.510 -0.043 0.000 1.041 404 N CA -0.391 52.630 53.050 -0.049 0.000 0.940 404 N CB 0.928 39.382 38.487 -0.055 0.000 1.133 404 N HN 0.642 nan 8.380 nan 0.000 0.506 405 M N 2.502 122.077 119.600 -0.042 0.000 2.319 405 M HA -0.080 4.400 4.480 -0.001 0.000 0.265 405 M C 1.491 177.773 176.300 -0.030 0.000 1.068 405 M CA 0.968 56.278 55.300 0.016 0.000 1.118 405 M CB -0.493 32.028 32.600 -0.132 0.000 1.395 405 M HN 0.568 nan 8.290 nan 0.000 0.435 406 K N 0.737 121.094 120.400 -0.071 0.000 2.404 406 K HA 0.003 4.323 4.320 -0.001 0.000 0.194 406 K C 1.636 178.167 176.600 -0.114 0.000 1.023 406 K CA 0.021 56.264 56.287 -0.074 0.000 1.094 406 K CB -0.019 32.449 32.500 -0.052 0.000 0.841 406 K HN 0.076 nan 8.250 nan 0.000 0.523 407 L N 1.393 122.523 121.223 -0.155 0.000 2.211 407 L HA -0.130 4.210 4.340 -0.001 0.000 0.216 407 L C 0.048 176.809 176.870 -0.181 0.000 1.092 407 L CA 1.447 56.188 54.840 -0.165 0.000 0.767 407 L CB 0.073 42.007 42.059 -0.209 0.000 0.894 407 L HN 0.065 nan 8.230 nan 0.000 0.437 408 V N 0.538 120.305 119.914 -0.246 0.000 2.445 408 V HA 0.186 4.306 4.120 -0.001 0.000 0.283 408 V C -0.647 175.329 176.094 -0.198 0.000 1.014 408 V CA -1.258 60.895 62.300 -0.244 0.000 0.852 408 V CB 1.169 32.766 31.823 -0.376 0.000 1.021 408 V HN 0.071 nan 8.190 nan 0.000 0.435 409 D N 3.643 123.976 120.400 -0.112 0.000 2.520 409 D HA 0.257 4.896 4.640 -0.001 0.000 0.243 409 D C 1.260 177.534 176.300 -0.044 0.000 1.160 409 D CA 2.336 56.306 54.000 -0.050 0.000 0.877 409 D CB 1.065 41.855 40.800 -0.017 0.000 1.150 409 D HN 0.997 nan 8.370 nan 0.000 0.494 410 G N 2.783 111.597 108.800 0.022 0.000 2.213 410 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.226 410 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.226 410 G C 1.100 176.047 174.900 0.078 0.000 0.992 410 G CA 0.534 45.679 45.100 0.076 0.000 0.632 410 G HN 0.835 nan 8.290 nan 0.000 0.511 411 A N -0.312 122.500 122.820 -0.014 0.000 1.969 411 A HA 0.492 4.812 4.320 -0.001 0.000 0.218 411 A C 0.990 178.855 177.584 0.468 0.000 1.169 411 A CA 1.398 53.437 52.037 0.003 0.000 0.635 411 A CB -0.193 18.700 19.000 -0.178 0.000 0.810 411 A HN 1.291 nan 8.150 nan 0.000 0.445 412 F N 0.635 120.799 119.950 0.357 0.000 2.424 412 F HA 0.378 4.904 4.527 -0.000 0.000 0.356 412 F C 0.615 176.643 175.800 0.379 0.000 1.110 412 F CA -0.686 57.557 58.000 0.406 0.000 1.161 412 F CB 0.986 40.135 39.000 0.248 0.000 1.115 412 F HN 0.213 nan 8.300 nan 0.000 0.507 413 C N 3.417 122.616 119.300 -0.168 0.000 3.245 413 C HA 0.419 4.879 4.460 -0.001 0.000 0.254 413 C C 1.822 176.570 174.990 -0.402 0.000 1.931 413 C CA -0.139 58.753 59.018 -0.211 0.000 1.726 413 C CB -0.475 27.296 27.740 0.052 0.000 3.348 413 C HN 0.960 nan 8.230 nan 0.000 0.458 414 G N 1.147 109.429 108.800 -0.863 0.000 2.450 414 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.220 414 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.220 414 G C 0.707 175.353 174.900 -0.423 0.000 1.130 414 G CA 1.065 45.807 45.100 -0.597 0.000 0.760 414 G HN 0.584 nan 8.290 nan 0.000 0.557 415 F N 1.562 121.465 119.950 -0.077 0.000 2.660 415 F HA 0.426 4.953 4.527 -0.000 0.000 0.297 415 F C 1.773 177.568 175.800 -0.008 0.000 1.132 415 F CA -0.132 57.896 58.000 0.047 0.000 1.372 415 F CB 0.068 39.151 39.000 0.137 0.000 1.003 415 F HN 0.362 nan 8.300 nan 0.000 0.524 416 G N 1.177 109.982 108.800 0.008 0.000 2.633 416 G HA2 0.083 4.043 3.960 -0.001 0.000 0.263 416 G HA3 0.083 4.043 3.960 -0.001 0.000 0.263 416 G C -0.284 174.351 174.900 -0.440 0.000 1.310 416 G CA -0.297 44.697 45.100 -0.176 0.000 0.914 416 G HN 0.993 nan 8.290 nan 0.000 0.569 417 A N -3.102 119.346 122.820 -0.621 0.000 2.511 417 A HA 1.057 5.376 4.320 -0.001 0.000 0.293 417 A C 1.397 178.964 177.584 -0.029 0.000 1.098 417 A CA 1.175 52.984 52.037 -0.380 0.000 0.643 417 A CB 0.442 19.095 19.000 -0.578 0.000 1.302 417 A HN 3.074 nan 8.150 nan 0.000 0.446 418 G N -0.921 107.905 108.800 0.044 0.000 2.634 418 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.309 418 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.309 418 G C 1.226 176.158 174.900 0.054 0.000 1.265 418 G CA 1.625 46.784 45.100 0.098 0.000 0.998 418 G HN 1.804 nan 8.290 nan 0.000 0.551 419 V N 0.914 120.840 119.914 0.021 0.000 2.380 419 V HA -0.152 3.968 4.120 -0.001 0.000 0.251 419 V C 1.865 177.777 176.094 -0.303 0.000 1.063 419 V CA 2.739 64.933 62.300 -0.177 0.000 1.055 419 V CB -0.521 31.132 31.823 -0.284 0.000 0.657 419 V HN 0.696 nan 8.190 nan 0.000 0.455 420 H N -0.361 118.756 119.070 0.079 0.000 2.475 420 H HA 0.209 4.765 4.556 -0.000 0.000 0.276 420 H C 0.795 176.205 175.328 0.137 0.000 1.126 420 H CA -0.430 55.684 56.048 0.110 0.000 1.023 420 H CB 0.106 29.941 29.762 0.120 0.000 1.669 420 H HN 0.568 nan 8.280 nan 0.000 0.573 421 K N 0.659 121.162 120.400 0.171 0.000 2.518 421 K HA 0.004 4.323 4.320 -0.001 0.000 0.276 421 K C 0.230 176.939 176.600 0.181 0.000 0.974 421 K CA -0.236 56.138 56.287 0.144 0.000 0.986 421 K CB 0.658 33.201 32.500 0.073 0.000 0.901 421 K HN 0.075 nan 8.250 nan 0.000 0.497 422 C N 5.745 125.186 119.300 0.234 0.000 2.590 422 C HA 0.074 4.534 4.460 -0.001 0.000 0.411 422 C C 1.765 176.878 174.990 0.205 0.000 1.420 422 C CA -0.470 58.711 59.018 0.271 0.000 1.643 422 C CB -1.579 26.410 27.740 0.416 0.000 2.528 422 C HN 0.969 nan 8.230 nan 0.000 0.606 423 I N 3.539 124.219 120.570 0.183 0.000 3.603 423 I HA 0.298 4.468 4.170 -0.001 0.000 0.297 423 I C 1.554 177.777 176.117 0.176 0.000 1.269 423 I CA 1.159 62.542 61.300 0.139 0.000 1.361 423 I CB -0.385 37.673 38.000 0.098 0.000 1.063 423 I HN 0.681 nan 8.210 nan 0.000 0.448 424 G N 1.079 110.021 108.800 0.236 0.000 3.126 424 G HA2 0.006 3.966 3.960 -0.001 0.000 0.224 424 G HA3 0.006 3.966 3.960 -0.001 0.000 0.224 424 G C 1.201 176.295 174.900 0.323 0.000 1.142 424 G CA 0.199 45.484 45.100 0.308 0.000 0.759 424 G HN 0.511 nan 8.290 nan 0.000 0.550 425 E N 1.200 121.552 120.200 0.254 0.000 2.086 425 E HA -0.263 4.086 4.350 -0.001 0.000 0.205 425 E C 2.129 178.773 176.600 0.073 0.000 1.027 425 E CA 1.609 58.078 56.400 0.115 0.000 0.830 425 E CB -0.072 29.458 29.700 -0.283 0.000 0.751 425 E HN 0.389 nan 8.360 nan 0.000 0.456 426 K N -0.536 119.928 120.400 0.108 0.000 2.057 426 K HA -0.140 4.180 4.320 -0.001 0.000 0.206 426 K C 2.149 178.837 176.600 0.147 0.000 1.050 426 K CA 1.256 57.624 56.287 0.134 0.000 0.935 426 K CB -0.357 32.278 32.500 0.225 0.000 0.715 426 K HN 0.194 nan 8.250 nan 0.000 0.439 427 F N 1.726 121.757 119.950 0.135 0.000 2.134 427 F HA -0.105 4.421 4.527 -0.001 0.000 0.299 427 F C 2.016 177.798 175.800 -0.030 0.000 1.097 427 F CA 1.646 59.638 58.000 -0.013 0.000 1.264 427 F CB -0.732 38.418 39.000 0.250 0.000 1.001 427 F HN -0.016 nan 8.300 nan 0.000 0.479 428 G N 1.035 109.829 108.800 -0.011 0.000 2.484 428 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.215 428 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.215 428 G C 1.796 176.621 174.900 -0.126 0.000 1.219 428 G CA 1.122 46.171 45.100 -0.084 0.000 0.791 428 G HN 0.426 nan 8.290 nan 0.000 0.550 429 L N -0.043 121.173 121.223 -0.012 0.000 2.081 429 L HA -0.119 4.220 4.340 -0.001 0.000 0.212 429 L C 2.750 179.548 176.870 -0.120 0.000 1.080 429 L CA 0.720 55.547 54.840 -0.022 0.000 0.754 429 L CB -0.505 41.554 42.059 0.000 0.000 0.893 429 L HN 0.246 nan 8.230 nan 0.000 0.433 430 L N -0.388 120.713 121.223 -0.203 0.000 2.042 430 L HA -0.265 4.075 4.340 -0.001 0.000 0.210 430 L C 2.535 179.239 176.870 -0.278 0.000 1.076 430 L CA 1.800 56.487 54.840 -0.256 0.000 0.749 430 L CB -0.490 41.330 42.059 -0.399 0.000 0.893 430 L HN 0.269 nan 8.230 nan 0.000 0.432 431 Q N -1.239 118.330 119.800 -0.385 0.000 1.965 431 Q HA -0.160 4.180 4.340 -0.001 0.000 0.200 431 Q C 2.189 178.073 176.000 -0.194 0.000 0.981 431 Q CA 1.996 57.599 55.803 -0.333 0.000 0.834 431 Q CB -0.365 28.113 28.738 -0.433 0.000 0.900 431 Q HN 0.449 nan 8.270 nan 0.000 0.426 432 V N 1.588 121.412 119.914 -0.150 0.000 2.250 432 V HA -0.351 3.769 4.120 -0.001 0.000 0.250 432 V C 2.163 178.219 176.094 -0.064 0.000 1.060 432 V CA 2.154 64.406 62.300 -0.080 0.000 1.030 432 V CB -0.518 31.290 31.823 -0.026 0.000 0.643 432 V HN 0.331 nan 8.190 nan 0.000 0.445 433 K N -0.402 119.957 120.400 -0.069 0.000 2.002 433 K HA -0.155 4.164 4.320 -0.001 0.000 0.209 433 K C 2.207 178.766 176.600 -0.069 0.000 1.048 433 K CA 2.005 58.257 56.287 -0.059 0.000 0.930 433 K CB -0.569 31.889 32.500 -0.070 0.000 0.714 433 K HN 0.509 nan 8.250 nan 0.000 0.438 434 T N 0.873 115.369 114.554 -0.096 0.000 2.788 434 T HA -0.111 4.239 4.350 -0.001 0.000 0.268 434 T C 1.969 176.633 174.700 -0.060 0.000 1.044 434 T CA 1.132 63.180 62.100 -0.088 0.000 1.139 434 T CB -0.194 68.616 68.868 -0.098 0.000 0.867 434 T HN -0.055 nan 8.240 nan 0.000 0.454 435 V N 1.258 121.131 119.914 -0.070 0.000 2.427 435 V HA -0.070 4.050 4.120 -0.001 0.000 0.248 435 V C 2.437 178.530 176.094 -0.003 0.000 1.051 435 V CA 1.323 63.593 62.300 -0.050 0.000 1.048 435 V CB -0.562 31.212 31.823 -0.082 0.000 0.666 435 V HN 0.445 nan 8.190 nan 0.000 0.456 436 L N -0.211 121.009 121.223 -0.005 0.000 2.109 436 L HA -0.093 4.247 4.340 -0.001 0.000 0.207 436 L C 2.639 179.538 176.870 0.050 0.000 1.086 436 L CA 1.399 56.254 54.840 0.026 0.000 0.760 436 L CB -0.622 41.448 42.059 0.018 0.000 0.910 436 L HN 0.365 nan 8.230 nan 0.000 0.437 437 A N -0.744 122.091 122.820 0.025 0.000 1.968 437 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 437 A C 2.312 179.941 177.584 0.074 0.000 1.169 437 A CA 1.959 54.019 52.037 0.037 0.000 0.638 437 A CB -0.608 18.379 19.000 -0.023 0.000 0.812 437 A HN 0.341 nan 8.150 nan 0.000 0.446 438 T N -0.447 114.147 114.554 0.066 0.000 2.732 438 T HA -0.068 4.281 4.350 -0.001 0.000 0.261 438 T C 1.938 176.744 174.700 0.177 0.000 1.040 438 T CA 1.433 63.591 62.100 0.096 0.000 1.145 438 T CB -0.446 68.456 68.868 0.056 0.000 0.866 438 T HN 0.122 nan 8.240 nan 0.000 0.427 439 V N 2.030 122.066 119.914 0.202 0.000 2.219 439 V HA -0.159 3.961 4.120 -0.001 0.000 0.248 439 V C 2.505 178.853 176.094 0.422 0.000 1.053 439 V CA 1.734 64.248 62.300 0.357 0.000 1.009 439 V CB -0.794 31.233 31.823 0.340 0.000 0.636 439 V HN 0.435 nan 8.190 nan 0.000 0.445 440 L N -0.279 121.135 121.223 0.318 0.000 2.353 440 L HA -0.147 4.193 4.340 -0.001 0.000 0.220 440 L C 2.621 179.672 176.870 0.302 0.000 1.133 440 L CA 1.240 56.267 54.840 0.311 0.000 0.798 440 L CB -0.632 41.501 42.059 0.122 0.000 0.922 440 L HN 0.321 nan 8.230 nan 0.000 0.445 441 R N 0.157 120.805 120.500 0.246 0.000 2.148 441 R HA -0.135 4.205 4.340 -0.001 0.000 0.227 441 R C 0.830 177.236 176.300 0.177 0.000 1.103 441 R CA 1.489 57.717 56.100 0.213 0.000 0.983 441 R CB 0.178 30.579 30.300 0.168 0.000 0.874 441 R HN 0.352 nan 8.270 nan 0.000 0.451 442 D N -1.987 118.530 120.400 0.194 0.000 2.498 442 D HA 0.088 4.728 4.640 -0.001 0.000 0.223 442 D C -0.709 175.489 176.300 -0.169 0.000 1.125 442 D CA 0.325 54.340 54.000 0.026 0.000 0.835 442 D CB 0.581 41.402 40.800 0.035 0.000 1.086 442 D HN 0.059 nan 8.370 nan 0.000 0.510 443 Y N 0.653 121.028 120.300 0.124 0.000 2.512 443 Y HA 0.361 4.911 4.550 -0.000 0.000 0.348 443 Y C -0.143 175.709 175.900 -0.079 0.000 0.990 443 Y CA -0.976 57.103 58.100 -0.034 0.000 1.033 443 Y CB 2.062 40.453 38.460 -0.114 0.000 1.259 443 Y HN -0.347 nan 8.280 nan 0.000 0.461 444 D N 1.362 121.696 120.400 -0.110 0.000 2.374 444 D HA 0.535 5.174 4.640 -0.001 0.000 0.239 444 D C -1.331 174.722 176.300 -0.412 0.000 0.991 444 D CA -0.232 53.729 54.000 -0.064 0.000 0.960 444 D CB 2.136 42.944 40.800 0.012 0.000 1.284 444 D HN 0.248 nan 8.370 nan 0.000 0.512 445 F N 0.100 120.107 119.950 0.095 0.000 2.588 445 F HA 0.341 4.868 4.527 -0.001 0.000 0.310 445 F C 0.152 175.960 175.800 0.014 0.000 1.082 445 F CA -0.747 57.272 58.000 0.032 0.000 0.929 445 F CB 2.173 41.169 39.000 -0.006 0.000 1.254 445 F HN -0.016 nan 8.300 nan 0.000 0.455 446 E N 2.593 122.892 120.200 0.165 0.000 2.256 446 E HA 0.465 4.815 4.350 -0.001 0.000 0.268 446 E C -1.258 175.375 176.600 0.056 0.000 0.877 446 E CA -0.861 55.590 56.400 0.085 0.000 0.757 446 E CB 2.640 32.360 29.700 0.033 0.000 1.183 446 E HN 0.426 nan 8.360 nan 0.000 0.418 447 L N 3.172 124.415 121.223 0.033 0.000 2.483 447 L HA 0.040 4.380 4.340 -0.001 0.000 0.276 447 L C 1.130 177.997 176.870 -0.004 0.000 1.213 447 L CA 0.192 55.032 54.840 0.000 0.000 0.843 447 L CB 0.345 42.399 42.059 -0.008 0.000 1.107 447 L HN 0.583 nan 8.230 nan 0.000 0.487 448 L N 1.750 122.963 121.223 -0.017 0.000 2.616 448 L HA 0.285 4.625 4.340 -0.001 0.000 0.229 448 L C 0.862 177.722 176.870 -0.017 0.000 1.110 448 L CA 0.175 55.004 54.840 -0.019 0.000 0.884 448 L CB 0.211 42.254 42.059 -0.027 0.000 1.115 448 L HN 0.827 nan 8.230 nan 0.000 0.481 449 G N -0.692 108.097 108.800 -0.017 0.000 2.815 449 G HA2 0.453 4.413 3.960 -0.001 0.000 0.305 449 G HA3 0.453 4.413 3.960 -0.001 0.000 0.305 449 G C -2.821 172.074 174.900 -0.007 0.000 1.277 449 G CA -0.449 44.644 45.100 -0.012 0.000 0.795 449 G HN -0.262 nan 8.290 nan 0.000 0.528 450 P HA 0.345 nan 4.420 nan 0.000 0.274 450 P C -0.237 177.064 177.300 0.003 0.000 1.237 450 P CA -0.574 62.531 63.100 0.009 0.000 0.793 450 P CB 1.088 32.799 31.700 0.018 0.000 0.977 451 L N 3.909 125.142 121.223 0.017 0.000 2.615 451 L HA 0.031 4.371 4.340 -0.001 0.000 0.284 451 L C -1.988 174.904 176.870 0.035 0.000 1.237 451 L CA -0.521 54.330 54.840 0.018 0.000 0.905 451 L CB -1.148 40.944 42.059 0.055 0.000 1.149 451 L HN 0.339 nan 8.230 nan 0.000 0.499 452 P HA 0.107 nan 4.420 nan 0.000 0.268 452 P C -1.211 176.170 177.300 0.135 0.000 1.208 452 P CA -0.192 62.897 63.100 -0.018 0.000 0.777 452 P CB 0.520 32.094 31.700 -0.211 0.000 0.875 453 E N 2.792 123.044 120.200 0.087 0.000 2.204 453 E HA 0.341 4.690 4.350 -0.001 0.000 0.276 453 E C -2.320 174.330 176.600 0.083 0.000 0.974 453 E CA -2.891 53.588 56.400 0.131 0.000 0.815 453 E CB 0.336 30.082 29.700 0.076 0.000 1.119 453 E HN 0.263 nan 8.360 nan 0.000 0.393 454 P HA -0.045 nan 4.420 nan 0.000 0.265 454 P C -0.915 176.131 177.300 -0.424 0.000 1.193 454 P CA 0.331 63.353 63.100 -0.129 0.000 0.765 454 P CB 0.244 31.728 31.700 -0.360 0.000 0.823 455 N N 2.500 121.006 118.700 -0.323 0.000 2.558 455 N HA 0.124 4.863 4.740 -0.001 0.000 0.233 455 N C 0.133 175.503 175.510 -0.233 0.000 1.038 455 N CA -0.514 52.411 53.050 -0.208 0.000 0.934 455 N CB -0.015 38.423 38.487 -0.080 0.000 1.175 455 N HN 0.310 nan 8.380 nan 0.000 0.512 456 Y N 1.469 121.737 120.300 -0.052 0.000 2.519 456 Y HA -0.006 4.544 4.550 -0.001 0.000 0.311 456 Y C 1.171 176.911 175.900 -0.267 0.000 1.207 456 Y CA 0.091 58.089 58.100 -0.169 0.000 1.289 456 Y CB 0.004 38.318 38.460 -0.245 0.000 1.059 456 Y HN 0.654 nan 8.280 nan 0.000 0.507 457 H N -0.425 118.660 119.070 0.025 0.000 2.517 457 H HA 0.138 4.694 4.556 -0.000 0.000 0.282 457 H C 0.608 175.918 175.328 -0.031 0.000 1.023 457 H CA 0.606 56.650 56.048 -0.007 0.000 1.169 457 H CB 0.190 29.942 29.762 -0.017 0.000 1.454 457 H HN 0.233 nan 8.280 nan 0.000 0.556 458 T N -3.726 110.851 114.554 0.039 0.000 2.908 458 T HA 0.237 4.586 4.350 -0.001 0.000 0.290 458 T C 1.344 176.032 174.700 -0.019 0.000 1.034 458 T CA -0.844 61.252 62.100 -0.005 0.000 1.010 458 T CB 2.518 71.362 68.868 -0.041 0.000 1.068 458 T HN 0.017 nan 8.240 nan 0.000 0.481 459 M N 1.361 120.947 119.600 -0.024 0.000 2.073 459 M HA -0.010 4.469 4.480 -0.001 0.000 0.258 459 M C -0.035 176.281 176.300 0.026 0.000 1.070 459 M CA 1.799 57.104 55.300 0.008 0.000 1.103 459 M CB -0.037 32.611 32.600 0.081 0.000 1.321 459 M HN 0.561 nan 8.290 nan 0.000 0.405 460 V N 1.847 121.749 119.914 -0.020 0.000 2.347 460 V HA 0.252 4.371 4.120 -0.001 0.000 0.280 460 V C -0.314 175.762 176.094 -0.029 0.000 1.021 460 V CA -0.951 61.339 62.300 -0.017 0.000 0.847 460 V CB 1.033 32.819 31.823 -0.063 0.000 0.990 460 V HN 0.023 nan 8.190 nan 0.000 0.444 461 V N 5.064 124.989 119.914 0.018 0.000 2.455 461 V HA 0.667 4.787 4.120 -0.001 0.000 0.273 461 V C 0.928 177.044 176.094 0.036 0.000 1.045 461 V CA 0.541 62.850 62.300 0.016 0.000 0.976 461 V CB 0.758 32.621 31.823 0.066 0.000 0.993 461 V HN 1.017 nan 8.190 nan 0.000 0.475 462 G N 5.749 114.525 108.800 -0.039 0.000 3.015 462 G HA2 0.722 4.682 3.960 -0.001 0.000 0.281 462 G HA3 0.722 4.682 3.960 -0.001 0.000 0.281 462 G C -3.109 171.652 174.900 -0.231 0.000 1.386 462 G CA -1.461 43.576 45.100 -0.106 0.000 0.959 462 G HN 0.508 nan 8.290 nan 0.000 0.522 463 P HA 0.169 nan 4.420 nan 0.000 0.271 463 P C 0.080 177.159 177.300 -0.369 0.000 1.216 463 P CA 0.119 62.802 63.100 -0.695 0.000 0.776 463 P CB 0.501 31.421 31.700 -1.300 0.000 0.881 464 T N 3.115 117.530 114.554 -0.231 0.000 2.738 464 T HA 0.063 4.413 4.350 -0.001 0.000 0.277 464 T C 1.777 176.375 174.700 -0.169 0.000 0.981 464 T CA 0.639 62.646 62.100 -0.155 0.000 1.211 464 T CB 0.086 68.897 68.868 -0.094 0.000 0.932 464 T HN 0.450 nan 8.240 nan 0.000 0.522 465 A N 4.234 126.965 122.820 -0.148 0.000 1.917 465 A HA -0.163 4.157 4.320 -0.001 0.000 0.219 465 A C 2.497 180.016 177.584 -0.109 0.000 1.182 465 A CA 2.106 54.061 52.037 -0.136 0.000 0.633 465 A CB -0.974 17.966 19.000 -0.100 0.000 0.819 465 A HN 0.899 nan 8.150 nan 0.000 0.448 466 S N -0.737 114.913 115.700 -0.084 0.000 2.500 466 S HA -0.167 4.303 4.470 -0.001 0.000 0.239 466 S C 1.377 175.936 174.600 -0.069 0.000 0.989 466 S CA 1.348 59.509 58.200 -0.065 0.000 0.951 466 S CB -0.376 62.794 63.200 -0.050 0.000 0.759 466 S HN 0.723 nan 8.310 nan 0.000 0.523 467 Q N -0.819 118.925 119.800 -0.092 0.000 2.220 467 Q HA 0.317 4.657 4.340 -0.001 0.000 0.205 467 Q C 0.376 176.303 176.000 -0.122 0.000 0.865 467 Q CA -0.179 55.569 55.803 -0.091 0.000 0.960 467 Q CB 0.219 28.905 28.738 -0.086 0.000 1.097 467 Q HN 0.586 nan 8.270 nan 0.000 0.493 468 C N 0.902 120.122 119.300 -0.133 0.000 2.884 468 C HA 0.241 4.700 4.460 -0.001 0.000 0.287 468 C C 0.654 175.578 174.990 -0.111 0.000 1.310 468 C CA -0.455 58.467 59.018 -0.159 0.000 1.725 468 C CB -0.659 26.960 27.740 -0.202 0.000 2.060 468 C HN 0.330 nan 8.230 nan 0.000 0.618 469 R N 1.137 121.591 120.500 -0.077 0.000 2.449 469 R HA 0.424 4.763 4.340 -0.001 0.000 0.296 469 R C -0.551 175.719 176.300 -0.051 0.000 1.047 469 R CA 0.503 56.573 56.100 -0.051 0.000 1.018 469 R CB 0.534 30.811 30.300 -0.038 0.000 0.962 469 R HN 0.142 nan 8.270 nan 0.000 0.428 470 V N 2.549 122.441 119.914 -0.036 0.000 3.159 470 V HA 0.294 4.414 4.120 -0.001 0.000 0.308 470 V C -0.634 175.459 176.094 -0.001 0.000 1.190 470 V CA -1.021 61.271 62.300 -0.014 0.000 1.037 470 V CB 2.723 34.541 31.823 -0.009 0.000 1.060 470 V HN 0.608 nan 8.190 nan 0.000 0.437 471 K N 1.923 122.327 120.400 0.006 0.000 2.240 471 K HA 0.506 4.826 4.320 -0.001 0.000 0.271 471 K C -1.333 175.234 176.600 -0.054 0.000 1.018 471 K CA -0.501 55.739 56.287 -0.079 0.000 0.874 471 K CB 0.968 33.407 32.500 -0.100 0.000 1.098 471 K HN 0.666 nan 8.250 nan 0.000 0.458 472 Y N 3.193 123.374 120.300 -0.198 0.000 2.352 472 Y HA 0.612 5.162 4.550 -0.001 0.000 0.326 472 Y C -0.831 174.900 175.900 -0.283 0.000 1.166 472 Y CA -1.256 56.553 58.100 -0.484 0.000 1.182 472 Y CB 0.681 38.686 38.460 -0.759 0.000 1.216 472 Y HN 0.310 nan 8.280 nan 0.000 0.474 473 I N 4.059 124.598 120.570 -0.051 0.000 2.468 473 I HA 0.278 4.448 4.170 -0.001 0.000 0.285 473 I C -0.707 175.450 176.117 0.066 0.000 1.039 473 I CA -1.216 60.084 61.300 0.000 0.000 1.074 473 I CB 1.841 39.788 38.000 -0.088 0.000 1.228 473 I HN 0.511 nan 8.210 nan 0.000 0.436 474 K N 4.771 125.214 120.400 0.072 0.000 2.416 474 K HA 0.065 4.385 4.320 -0.001 0.000 0.283 474 K C -0.144 176.341 176.600 -0.192 0.000 1.037 474 K CA -0.087 56.075 56.287 -0.209 0.000 0.995 474 K CB 0.364 32.825 32.500 -0.065 0.000 0.938 474 K HN 0.248 nan 8.250 nan 0.000 0.475 475 K N 4.133 124.372 120.400 -0.269 0.000 2.351 475 K HA 0.043 4.362 4.320 -0.001 0.000 0.287 475 K C -0.594 175.945 176.600 -0.102 0.000 1.068 475 K CA 0.358 56.559 56.287 -0.144 0.000 0.998 475 K CB 0.233 32.662 32.500 -0.118 0.000 0.968 475 K HN 0.378 nan 8.250 nan 0.000 0.464 476 K N 0.000 120.358 120.400 -0.071 0.000 2.780 476 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 476 K CA 0.000 56.257 56.287 -0.050 0.000 0.838 476 K CB 0.000 32.475 32.500 -0.042 0.000 1.064 476 K HN 0.000 nan 8.250 nan 0.000 0.543