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 2zbb_1_A DATA FIRST_RESID 54 DATA SEQUENCE LAGLAGQSRI DASLKASLLR AVVERQRALP LVLADDAAIR GALLSPDRPS DATA SEQUENCE LDRINRKLEA LATSAEAAVI YLIDRSGVAV AASNWQEPTS FVGNDYAFRD DATA SEQUENCE YFRLAVRDGM AEHFAMGTVS NRPGLYISRR VDGPGGPLGV IVAKLEFDGV DATA SEQUENCE EADWQASGKP AYVTDRRGIV LITSLPSWRF MTTKPIAEDR LAPIRESLQF DATA SEQUENCE GDAPLLPLPF RKIEARPDGS STLDALLPGD STAAFLRVET MVPSTNWRLE DATA SEQUENCE QLSPL 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 54 L HA 0.000 nan 4.340 nan 0.000 0.249 54 L C 0.000 176.862 176.870 -0.013 0.000 1.165 54 L CA 0.000 54.831 54.840 -0.015 0.000 0.813 54 L CB 0.000 42.050 42.059 -0.015 0.000 0.961 55 A N -0.037 122.776 122.820 -0.012 0.000 2.067 55 A HA 0.197 4.518 4.320 0.001 0.000 0.219 55 A C 1.845 179.422 177.584 -0.011 0.000 1.158 55 A CA 1.685 53.715 52.037 -0.012 0.000 0.661 55 A CB -0.934 18.060 19.000 -0.010 0.000 0.801 55 A HN 0.550 nan 8.150 nan 0.000 0.452 56 G N -1.124 107.669 108.800 -0.011 0.000 2.712 56 G HA2 0.148 4.109 3.960 0.001 0.000 0.212 56 G HA3 0.148 4.109 3.960 0.001 0.000 0.212 56 G C 1.246 176.139 174.900 -0.011 0.000 1.142 56 G CA 0.885 45.978 45.100 -0.011 0.000 0.789 56 G HN 0.441 nan 8.290 nan 0.000 0.535 57 L N 0.686 121.902 121.223 -0.012 0.000 2.298 57 L HA 0.490 4.831 4.340 0.001 0.000 0.209 57 L C 2.801 179.663 176.870 -0.014 0.000 1.084 57 L CA 1.512 56.345 54.840 -0.013 0.000 0.816 57 L CB -0.467 41.584 42.059 -0.013 0.000 0.967 57 L HN 0.115 nan 8.230 nan 0.000 0.460 58 A N -0.166 122.645 122.820 -0.015 0.000 1.940 58 A HA -0.068 4.253 4.320 0.001 0.000 0.219 58 A C 2.266 179.838 177.584 -0.021 0.000 1.176 58 A CA 1.586 53.612 52.037 -0.019 0.000 0.631 58 A CB -1.491 17.499 19.000 -0.018 0.000 0.814 58 A HN 0.508 nan 8.150 nan 0.000 0.446 59 G N -0.894 107.896 108.800 -0.017 0.000 2.453 59 G HA2 -0.263 3.698 3.960 0.001 0.000 0.215 59 G HA3 -0.263 3.698 3.960 0.001 0.000 0.215 59 G C 1.631 176.519 174.900 -0.019 0.000 1.201 59 G CA 1.315 46.405 45.100 -0.017 0.000 0.784 59 G HN 0.548 nan 8.290 nan 0.000 0.545 60 Q N 0.877 120.667 119.800 -0.017 0.000 2.050 60 Q HA -0.044 4.297 4.340 0.001 0.000 0.202 60 Q C 2.764 178.749 176.000 -0.025 0.000 0.980 60 Q CA 1.975 57.768 55.803 -0.017 0.000 0.840 60 Q CB -0.644 28.086 28.738 -0.013 0.000 0.898 60 Q HN 0.358 nan 8.270 nan 0.000 0.424 61 S N 0.339 116.022 115.700 -0.027 0.000 2.372 61 S HA -0.240 4.230 4.470 0.001 0.000 0.227 61 S C 1.834 176.402 174.600 -0.054 0.000 1.044 61 S CA 1.684 59.860 58.200 -0.040 0.000 1.050 61 S CB -0.333 62.846 63.200 -0.036 0.000 0.901 61 S HN 0.431 nan 8.310 nan 0.000 0.447 62 R N 0.806 121.279 120.500 -0.045 0.000 2.120 62 R HA -0.035 4.306 4.340 0.001 0.000 0.234 62 R C 2.502 178.774 176.300 -0.047 0.000 1.123 62 R CA 1.530 57.601 56.100 -0.048 0.000 0.975 62 R CB -0.549 29.730 30.300 -0.036 0.000 0.866 62 R HN 0.607 nan 8.270 nan 0.000 0.446 63 I N -0.953 119.594 120.570 -0.038 0.000 2.480 63 I HA -0.101 4.070 4.170 0.001 0.000 0.251 63 I C 0.843 176.936 176.117 -0.040 0.000 1.124 63 I CA 1.392 62.673 61.300 -0.032 0.000 1.444 63 I CB -0.397 37.592 38.000 -0.019 0.000 1.098 63 I HN -0.105 nan 8.210 nan 0.000 0.428 64 D N 2.608 122.979 120.400 -0.049 0.000 2.126 64 D HA -0.216 4.424 4.640 0.001 0.000 0.190 64 D C 2.407 178.639 176.300 -0.112 0.000 1.001 64 D CA 2.219 56.177 54.000 -0.069 0.000 0.841 64 D CB -0.371 40.386 40.800 -0.072 0.000 0.949 64 D HN 0.542 nan 8.370 nan 0.000 0.446 65 A N 0.466 123.212 122.820 -0.124 0.000 1.859 65 A HA -0.241 4.079 4.320 0.001 0.000 0.217 65 A C 2.400 179.908 177.584 -0.128 0.000 1.198 65 A CA 2.624 54.562 52.037 -0.165 0.000 0.629 65 A CB -1.094 17.821 19.000 -0.142 0.000 0.830 65 A HN 0.244 nan 8.150 nan 0.000 0.446 66 S N -1.109 114.545 115.700 -0.077 0.000 2.383 66 S HA -0.132 4.338 4.470 0.001 0.000 0.229 66 S C 1.882 176.468 174.600 -0.024 0.000 1.030 66 S CA 1.521 59.694 58.200 -0.044 0.000 1.002 66 S CB -0.426 62.755 63.200 -0.031 0.000 0.829 66 S HN 0.464 nan 8.310 nan 0.000 0.467 67 L N 1.730 122.938 121.223 -0.026 0.000 2.044 67 L HA 0.130 4.470 4.340 0.001 0.000 0.205 67 L C 2.044 178.928 176.870 0.023 0.000 1.075 67 L CA 1.872 56.714 54.840 0.003 0.000 0.747 67 L CB -0.977 41.083 42.059 0.002 0.000 0.903 67 L HN 0.155 nan 8.230 nan 0.000 0.435 68 K N -0.469 119.908 120.400 -0.039 0.000 2.152 68 K HA -0.113 4.207 4.320 0.001 0.000 0.206 68 K C 1.980 178.634 176.600 0.091 0.000 1.048 68 K CA 1.304 57.581 56.287 -0.017 0.000 0.933 68 K CB -0.249 31.979 32.500 -0.453 0.000 0.721 68 K HN 0.474 nan 8.250 nan 0.000 0.447 69 A N 0.510 123.341 122.820 0.018 0.000 1.968 69 A HA -0.102 4.218 4.320 0.001 0.000 0.217 69 A C 2.218 179.870 177.584 0.114 0.000 1.169 69 A CA 1.498 53.579 52.037 0.074 0.000 0.638 69 A CB -0.350 18.661 19.000 0.020 0.000 0.812 69 A HN 0.151 nan 8.150 nan 0.000 0.446 70 S N -0.584 115.167 115.700 0.084 0.000 2.368 70 S HA -0.060 4.411 4.470 0.001 0.000 0.224 70 S C 1.892 176.559 174.600 0.112 0.000 1.029 70 S CA 1.040 59.288 58.200 0.081 0.000 0.988 70 S CB -0.329 62.903 63.200 0.053 0.000 0.838 70 S HN 0.517 nan 8.310 nan 0.000 0.462 71 L N 1.335 122.646 121.223 0.145 0.000 2.046 71 L HA -0.069 4.271 4.340 0.001 0.000 0.208 71 L C 2.202 179.195 176.870 0.206 0.000 1.077 71 L CA 1.684 56.626 54.840 0.169 0.000 0.747 71 L CB -0.979 41.206 42.059 0.210 0.000 0.896 71 L HN 0.351 nan 8.230 nan 0.000 0.432 72 L N 0.845 122.236 121.223 0.279 0.000 1.970 72 L HA -0.237 4.103 4.340 0.001 0.000 0.212 72 L C 2.903 179.927 176.870 0.257 0.000 1.071 72 L CA 2.338 57.370 54.840 0.320 0.000 0.751 72 L CB -0.904 41.403 42.059 0.413 0.000 0.889 72 L HN 0.332 nan 8.230 nan 0.000 0.432 73 R N -0.188 120.423 120.500 0.185 0.000 2.154 73 R HA -0.283 4.057 4.340 0.001 0.000 0.236 73 R C 2.129 178.492 176.300 0.104 0.000 1.121 73 R CA 2.450 58.617 56.100 0.111 0.000 0.915 73 R CB -0.942 29.398 30.300 0.067 0.000 0.856 73 R HN 0.480 nan 8.270 nan 0.000 0.431 74 A N 0.277 123.154 122.820 0.095 0.000 1.903 74 A HA -0.188 4.133 4.320 0.001 0.000 0.219 74 A C 2.435 180.069 177.584 0.084 0.000 1.191 74 A CA 2.172 54.254 52.037 0.075 0.000 0.638 74 A CB -0.848 18.193 19.000 0.069 0.000 0.823 74 A HN 0.323 nan 8.150 nan 0.000 0.451 75 V N -0.666 119.321 119.914 0.122 0.000 2.427 75 V HA -0.207 3.914 4.120 0.001 0.000 0.248 75 V C 2.555 178.725 176.094 0.127 0.000 1.051 75 V CA 1.831 64.200 62.300 0.115 0.000 1.048 75 V CB -0.550 31.364 31.823 0.151 0.000 0.666 75 V HN 0.395 nan 8.190 nan 0.000 0.456 76 V N -0.257 119.775 119.914 0.197 0.000 2.358 76 V HA -0.265 3.855 4.120 0.001 0.000 0.246 76 V C 2.391 178.537 176.094 0.086 0.000 1.047 76 V CA 2.121 64.536 62.300 0.192 0.000 1.035 76 V CB -0.538 31.414 31.823 0.216 0.000 0.658 76 V HN 0.572 nan 8.190 nan 0.000 0.452 77 E N -0.119 120.116 120.200 0.060 0.000 2.106 77 E HA -0.246 4.104 4.350 0.001 0.000 0.192 77 E C 2.262 178.873 176.600 0.019 0.000 0.984 77 E CA 1.292 57.709 56.400 0.029 0.000 0.806 77 E CB -0.222 29.490 29.700 0.020 0.000 0.750 77 E HN 0.569 nan 8.360 nan 0.000 0.458 78 R N 0.915 121.427 120.500 0.020 0.000 2.113 78 R HA -0.288 4.052 4.340 0.001 0.000 0.244 78 R C 2.215 178.510 176.300 -0.007 0.000 1.142 78 R CA 2.045 58.148 56.100 0.004 0.000 0.953 78 R CB -0.289 30.011 30.300 -0.000 0.000 0.860 78 R HN 0.027 nan 8.270 nan 0.000 0.438 79 Q N 0.261 120.055 119.800 -0.010 0.000 2.123 79 Q HA -0.006 4.334 4.340 0.001 0.000 0.199 79 Q C 2.019 178.009 176.000 -0.017 0.000 0.966 79 Q CA 1.687 57.472 55.803 -0.030 0.000 0.845 79 Q CB 0.033 28.737 28.738 -0.058 0.000 0.907 79 Q HN 0.435 nan 8.270 nan 0.000 0.439 80 R N -0.658 119.842 120.500 0.001 0.000 2.152 80 R HA -0.071 4.270 4.340 0.001 0.000 0.232 80 R C 2.085 178.382 176.300 -0.006 0.000 1.117 80 R CA 0.969 57.070 56.100 0.001 0.000 0.981 80 R CB -0.395 29.910 30.300 0.007 0.000 0.870 80 R HN 0.274 nan 8.270 nan 0.000 0.451 81 A N 1.130 123.946 122.820 -0.007 0.000 2.024 81 A HA -0.133 4.188 4.320 0.001 0.000 0.220 81 A C 1.987 179.565 177.584 -0.011 0.000 1.164 81 A CA 1.005 53.037 52.037 -0.008 0.000 0.643 81 A CB -0.287 18.709 19.000 -0.006 0.000 0.806 81 A HN 0.094 nan 8.150 nan 0.000 0.451 82 L N -0.414 120.798 121.223 -0.017 0.000 1.973 82 L HA -0.085 4.256 4.340 0.001 0.000 0.208 82 L C -0.272 176.587 176.870 -0.020 0.000 1.073 82 L CA 2.335 57.163 54.840 -0.020 0.000 0.746 82 L CB -2.429 39.613 42.059 -0.027 0.000 0.891 82 L HN 0.208 nan 8.230 nan 0.000 0.433 83 P HA -0.145 nan 4.420 nan 0.000 0.217 83 P C 1.971 179.263 177.300 -0.015 0.000 1.150 83 P CA 0.851 63.936 63.100 -0.025 0.000 0.832 83 P CB -0.067 31.615 31.700 -0.031 0.000 0.787 84 L N -0.131 121.085 121.223 -0.011 0.000 1.978 84 L HA -0.182 4.158 4.340 0.001 0.000 0.218 84 L C 2.305 179.170 176.870 -0.007 0.000 1.075 84 L CA 2.034 56.870 54.840 -0.008 0.000 0.767 84 L CB -1.289 40.767 42.059 -0.006 0.000 0.890 84 L HN -0.148 nan 8.230 nan 0.000 0.434 85 V N -0.910 119.000 119.914 -0.007 0.000 2.871 85 V HA -0.118 4.002 4.120 0.001 0.000 0.256 85 V C 2.187 178.278 176.094 -0.004 0.000 1.082 85 V CA 1.419 63.716 62.300 -0.005 0.000 1.105 85 V CB -0.108 31.713 31.823 -0.004 0.000 0.713 85 V HN 0.495 nan 8.190 nan 0.000 0.473 86 L N -0.178 121.042 121.223 -0.005 0.000 2.341 86 L HA 0.129 4.469 4.340 0.001 0.000 0.214 86 L C 2.632 179.501 176.870 -0.001 0.000 1.115 86 L CA 0.920 55.758 54.840 -0.003 0.000 0.820 86 L CB -0.651 41.406 42.059 -0.004 0.000 0.944 86 L HN 0.360 nan 8.230 nan 0.000 0.452 87 A N -0.491 122.327 122.820 -0.003 0.000 1.972 87 A HA -0.235 4.086 4.320 0.001 0.000 0.219 87 A C 1.918 179.503 177.584 0.001 0.000 1.169 87 A CA 1.866 53.903 52.037 -0.001 0.000 0.635 87 A CB -0.284 18.714 19.000 -0.004 0.000 0.810 87 A HN 0.298 nan 8.150 nan 0.000 0.446 88 D N -0.306 120.094 120.400 0.000 0.000 2.340 88 D HA 0.027 4.667 4.640 0.001 0.000 0.217 88 D C -0.396 175.905 176.300 0.002 0.000 1.081 88 D CA -0.120 53.880 54.000 0.001 0.000 0.842 88 D CB -0.060 40.740 40.800 -0.001 0.000 0.934 88 D HN 0.439 nan 8.370 nan 0.000 0.511 89 D N 0.095 120.497 120.400 0.003 0.000 2.312 89 D HA 0.145 4.786 4.640 0.001 0.000 0.252 89 D C 1.061 177.363 176.300 0.003 0.000 1.150 89 D CA -0.251 53.750 54.000 0.002 0.000 0.870 89 D CB 1.823 42.624 40.800 0.003 0.000 1.153 89 D HN -0.005 nan 8.370 nan 0.000 0.457 90 A N 3.964 126.785 122.820 0.002 0.000 1.972 90 A HA -0.096 4.225 4.320 0.001 0.000 0.219 90 A C 2.024 179.610 177.584 0.002 0.000 1.169 90 A CA 1.814 53.852 52.037 0.002 0.000 0.635 90 A CB -0.312 18.688 19.000 0.001 0.000 0.810 90 A HN 0.668 nan 8.150 nan 0.000 0.446 91 A N -0.056 122.765 122.820 0.000 0.000 1.930 91 A HA 0.072 4.392 4.320 0.001 0.000 0.215 91 A C 2.000 179.585 177.584 0.002 0.000 1.176 91 A CA 1.128 53.164 52.037 -0.002 0.000 0.632 91 A CB -0.393 18.604 19.000 -0.006 0.000 0.819 91 A HN 0.407 nan 8.150 nan 0.000 0.445 92 I N -0.201 120.372 120.570 0.006 0.000 2.039 92 I HA -0.294 3.877 4.170 0.001 0.000 0.233 92 I C 2.563 178.690 176.117 0.016 0.000 1.040 92 I CA 2.162 63.470 61.300 0.014 0.000 1.308 92 I CB -1.348 36.661 38.000 0.015 0.000 1.035 92 I HN 0.457 nan 8.210 nan 0.000 0.392 93 R N 0.902 121.410 120.500 0.014 0.000 2.168 93 R HA -0.240 4.101 4.340 0.001 0.000 0.242 93 R C 2.397 178.705 176.300 0.013 0.000 1.123 93 R CA 2.662 58.770 56.100 0.014 0.000 0.928 93 R CB -1.122 29.184 30.300 0.010 0.000 0.873 93 R HN 0.495 nan 8.270 nan 0.000 0.434 94 G N -0.560 108.244 108.800 0.008 0.000 2.703 94 G HA2 -0.410 3.551 3.960 0.001 0.000 0.222 94 G HA3 -0.410 3.551 3.960 0.001 0.000 0.222 94 G C 1.550 176.453 174.900 0.006 0.000 1.183 94 G CA 1.592 46.695 45.100 0.005 0.000 0.775 94 G HN 0.624 nan 8.290 nan 0.000 0.615 95 A N 0.111 122.936 122.820 0.007 0.000 1.898 95 A HA 0.173 4.493 4.320 0.001 0.000 0.216 95 A C 2.520 180.114 177.584 0.018 0.000 1.181 95 A CA 1.478 53.520 52.037 0.008 0.000 0.620 95 A CB -0.353 18.651 19.000 0.006 0.000 0.819 95 A HN 0.388 nan 8.150 nan 0.000 0.442 96 L N -0.499 120.739 121.223 0.026 0.000 2.056 96 L HA -0.159 4.182 4.340 0.001 0.000 0.207 96 L C 2.534 179.421 176.870 0.029 0.000 1.078 96 L CA 0.920 55.781 54.840 0.035 0.000 0.749 96 L CB -0.586 41.500 42.059 0.045 0.000 0.901 96 L HN 0.376 nan 8.230 nan 0.000 0.433 97 L N -1.386 119.850 121.223 0.022 0.000 1.989 97 L HA -0.172 4.168 4.340 0.001 0.000 0.211 97 L C 1.460 178.339 176.870 0.015 0.000 1.071 97 L CA 1.108 55.959 54.840 0.018 0.000 0.749 97 L CB -0.443 41.624 42.059 0.013 0.000 0.890 97 L HN 0.086 nan 8.230 nan 0.000 0.431 98 S N 0.334 116.041 115.700 0.012 0.000 2.150 98 S HA 0.297 4.768 4.470 0.001 0.000 0.171 98 S C -2.343 172.261 174.600 0.007 0.000 1.620 98 S CA -1.264 56.941 58.200 0.008 0.000 1.190 98 S CB 0.531 63.733 63.200 0.004 0.000 1.102 98 S HN -0.019 nan 8.310 nan 0.000 0.464 99 P HA 0.212 nan 4.420 nan 0.000 0.237 99 P C -0.688 176.614 177.300 0.002 0.000 1.788 99 P CA -0.298 62.807 63.100 0.009 0.000 1.061 99 P CB -0.406 31.306 31.700 0.020 0.000 1.967 100 D N 0.730 121.127 120.400 -0.005 0.000 2.348 100 D HA 0.105 4.745 4.640 0.001 0.000 0.249 100 D C 1.267 177.556 176.300 -0.020 0.000 1.110 100 D CA -0.807 53.187 54.000 -0.009 0.000 0.967 100 D CB 1.364 42.158 40.800 -0.010 0.000 1.139 100 D HN -0.091 nan 8.370 nan 0.000 0.466 101 R N 0.828 121.315 120.500 -0.022 0.000 2.082 101 R HA -0.078 4.263 4.340 0.001 0.000 0.234 101 R C -0.892 175.374 176.300 -0.056 0.000 1.136 101 R CA 1.770 57.849 56.100 -0.035 0.000 0.935 101 R CB -1.566 28.718 30.300 -0.026 0.000 0.842 101 R HN 0.407 nan 8.270 nan 0.000 0.430 102 P HA -0.193 nan 4.420 nan 0.000 0.216 102 P C 1.232 178.491 177.300 -0.068 0.000 1.167 102 P CA 1.763 64.829 63.100 -0.056 0.000 0.914 102 P CB -0.254 31.424 31.700 -0.037 0.000 0.793 103 S N -0.460 115.210 115.700 -0.050 0.000 2.359 103 S HA -0.148 4.323 4.470 0.001 0.000 0.223 103 S C 1.954 176.514 174.600 -0.066 0.000 1.039 103 S CA 1.307 59.478 58.200 -0.048 0.000 1.042 103 S CB -1.121 62.062 63.200 -0.029 0.000 0.915 103 S HN 0.104 nan 8.310 nan 0.000 0.439 104 L N 0.975 122.158 121.223 -0.067 0.000 2.275 104 L HA -0.101 4.239 4.340 0.001 0.000 0.215 104 L C 1.970 178.740 176.870 -0.168 0.000 1.119 104 L CA 0.703 55.494 54.840 -0.082 0.000 0.790 104 L CB -0.450 41.580 42.059 -0.049 0.000 0.919 104 L HN 0.219 nan 8.230 nan 0.000 0.443 105 D N 0.177 120.453 120.400 -0.205 0.000 2.103 105 D HA -0.121 4.519 4.640 0.001 0.000 0.199 105 D C 2.292 178.385 176.300 -0.344 0.000 0.978 105 D CA 0.938 54.725 54.000 -0.356 0.000 0.829 105 D CB 0.030 40.655 40.800 -0.291 0.000 0.981 105 D HN 0.150 nan 8.370 nan 0.000 0.464 106 R N 0.410 120.792 120.500 -0.197 0.000 2.112 106 R HA -0.133 4.208 4.340 0.001 0.000 0.242 106 R C 2.373 178.595 176.300 -0.129 0.000 1.137 106 R CA 1.089 57.106 56.100 -0.139 0.000 0.944 106 R CB -0.272 29.980 30.300 -0.081 0.000 0.857 106 R HN 0.221 nan 8.270 nan 0.000 0.435 107 I N 1.016 121.518 120.570 -0.112 0.000 2.226 107 I HA -0.266 3.904 4.170 0.001 0.000 0.245 107 I C 1.709 177.772 176.117 -0.089 0.000 1.100 107 I CA 1.493 62.752 61.300 -0.068 0.000 1.374 107 I CB -1.329 36.649 38.000 -0.038 0.000 1.057 107 I HN 0.328 nan 8.210 nan 0.000 0.413 108 N N 1.001 119.568 118.700 -0.221 0.000 2.037 108 N HA -0.231 4.509 4.740 0.001 0.000 0.196 108 N C 1.932 177.325 175.510 -0.195 0.000 1.034 108 N CA 1.526 54.352 53.050 -0.374 0.000 0.861 108 N CB -0.096 37.748 38.487 -1.073 0.000 1.039 108 N HN 0.423 nan 8.380 nan 0.000 0.427 109 R N 1.058 121.421 120.500 -0.227 0.000 2.090 109 R HA -0.020 4.321 4.340 0.001 0.000 0.228 109 R C 2.181 178.524 176.300 0.072 0.000 1.110 109 R CA 0.680 56.824 56.100 0.074 0.000 0.973 109 R CB -0.141 30.177 30.300 0.031 0.000 0.869 109 R HN 0.219 nan 8.270 nan 0.000 0.440 110 K N 1.312 121.718 120.400 0.010 0.000 2.032 110 K HA -0.140 4.180 4.320 0.001 0.000 0.209 110 K C 1.966 178.592 176.600 0.043 0.000 1.048 110 K CA 1.388 57.687 56.287 0.019 0.000 0.927 110 K CB -0.029 32.471 32.500 0.001 0.000 0.712 110 K HN 0.150 nan 8.250 nan 0.000 0.441 111 L N 0.240 121.499 121.223 0.060 0.000 2.131 111 L HA -0.072 4.269 4.340 0.001 0.000 0.206 111 L C 2.523 179.451 176.870 0.096 0.000 1.087 111 L CA 0.801 55.686 54.840 0.075 0.000 0.767 111 L CB -0.428 41.685 42.059 0.090 0.000 0.917 111 L HN 0.322 nan 8.230 nan 0.000 0.441 112 E N 0.929 121.230 120.200 0.168 0.000 2.086 112 E HA -0.308 4.042 4.350 0.001 0.000 0.200 112 E C 2.184 178.827 176.600 0.072 0.000 1.012 112 E CA 1.684 58.176 56.400 0.152 0.000 0.812 112 E CB 0.014 29.881 29.700 0.278 0.000 0.743 112 E HN 0.479 nan 8.360 nan 0.000 0.453 113 A N 0.589 123.452 122.820 0.071 0.000 1.897 113 A HA -0.098 4.222 4.320 0.001 0.000 0.215 113 A C 2.194 179.789 177.584 0.017 0.000 1.181 113 A CA 1.065 53.125 52.037 0.038 0.000 0.620 113 A CB -0.544 18.479 19.000 0.038 0.000 0.821 113 A HN 0.289 nan 8.150 nan 0.000 0.443 114 L N -0.645 120.589 121.223 0.019 0.000 2.141 114 L HA -0.143 4.197 4.340 0.001 0.000 0.209 114 L C 2.993 179.858 176.870 -0.009 0.000 1.094 114 L CA 0.934 55.777 54.840 0.004 0.000 0.763 114 L CB -0.543 41.519 42.059 0.006 0.000 0.908 114 L HN 0.402 nan 8.230 nan 0.000 0.437 115 A N -0.171 122.645 122.820 -0.007 0.000 1.972 115 A HA -0.229 4.091 4.320 0.001 0.000 0.219 115 A C 2.494 180.052 177.584 -0.043 0.000 1.169 115 A CA 2.264 54.282 52.037 -0.031 0.000 0.635 115 A CB -0.821 18.156 19.000 -0.037 0.000 0.810 115 A HN 0.475 nan 8.150 nan 0.000 0.446 116 T N -1.160 113.374 114.554 -0.032 0.000 2.896 116 T HA -0.107 4.243 4.350 0.001 0.000 0.263 116 T C 2.124 176.806 174.700 -0.030 0.000 1.050 116 T CA 2.059 64.138 62.100 -0.036 0.000 1.140 116 T CB -0.564 68.284 68.868 -0.034 0.000 0.877 116 T HN 0.643 nan 8.240 nan 0.000 0.457 117 S N 1.739 117.427 115.700 -0.021 0.000 2.377 117 S HA 0.431 4.901 4.470 0.001 0.000 0.223 117 S C 1.388 175.973 174.600 -0.025 0.000 1.030 117 S CA 0.266 58.454 58.200 -0.019 0.000 0.970 117 S CB -0.829 62.364 63.200 -0.011 0.000 0.830 117 S HN 0.822 nan 8.310 nan 0.000 0.473 118 A N 2.327 125.129 122.820 -0.029 0.000 2.267 118 A HA 0.466 4.786 4.320 0.001 0.000 0.271 118 A C 0.505 178.059 177.584 -0.050 0.000 1.131 118 A CA -0.288 51.727 52.037 -0.037 0.000 0.818 118 A CB 0.232 19.209 19.000 -0.039 0.000 1.118 118 A HN 0.608 nan 8.150 nan 0.000 0.501 119 E N 0.125 120.284 120.200 -0.067 0.000 3.786 119 E HA 0.501 4.852 4.350 0.001 0.000 0.215 119 E C -0.237 176.296 176.600 -0.111 0.000 1.188 119 E CA -0.367 55.985 56.400 -0.081 0.000 1.248 119 E CB 0.249 29.904 29.700 -0.074 0.000 1.260 119 E HN 0.658 nan 8.360 nan 0.000 0.426 120 A N 0.919 123.677 122.820 -0.104 0.000 2.388 120 A HA 0.542 4.862 4.320 0.001 0.000 0.257 120 A C 1.361 178.868 177.584 -0.127 0.000 1.095 120 A CA 0.264 52.227 52.037 -0.125 0.000 0.791 120 A CB 0.890 19.834 19.000 -0.094 0.000 1.029 120 A HN 0.571 nan 8.150 nan 0.000 0.489 121 A N 1.793 124.519 122.820 -0.156 0.000 1.902 121 A HA 0.297 4.617 4.320 0.001 0.000 0.217 121 A C 0.880 178.377 177.584 -0.146 0.000 1.181 121 A CA 2.065 54.012 52.037 -0.150 0.000 0.623 121 A CB -0.722 18.178 19.000 -0.166 0.000 0.818 121 A HN 1.856 nan 8.150 nan 0.000 0.443 122 V N -3.178 116.674 119.914 -0.104 0.000 3.077 122 V HA 0.598 4.719 4.120 0.001 0.000 0.299 122 V C -1.019 175.128 176.094 0.089 0.000 1.276 122 V CA -0.911 61.351 62.300 -0.062 0.000 0.993 122 V CB 1.586 33.302 31.823 -0.178 0.000 1.076 122 V HN 0.198 nan 8.190 nan 0.000 0.434 123 I N 3.676 124.318 120.570 0.120 0.000 2.509 123 I HA 0.814 4.985 4.170 0.001 0.000 0.293 123 I C -0.962 175.328 176.117 0.289 0.000 1.020 123 I CA -0.684 60.700 61.300 0.140 0.000 1.088 123 I CB 2.123 40.149 38.000 0.043 0.000 1.267 123 I HN 0.974 nan 8.210 nan 0.000 0.430 124 Y N 4.318 124.636 120.300 0.029 0.000 2.624 124 Y HA 0.755 5.306 4.550 0.002 0.000 0.334 124 Y C -2.000 173.956 175.900 0.094 0.000 1.155 124 Y CA -1.404 56.744 58.100 0.080 0.000 1.046 124 Y CB 1.464 40.011 38.460 0.144 0.000 1.316 124 Y HN 0.406 nan 8.280 nan 0.000 0.457 125 L N 3.509 124.886 121.223 0.257 0.000 2.356 125 L HA 0.726 5.066 4.340 0.001 0.000 0.277 125 L C -1.635 175.365 176.870 0.218 0.000 0.996 125 L CA -0.869 54.063 54.840 0.154 0.000 0.822 125 L CB 1.459 43.588 42.059 0.117 0.000 1.256 125 L HN 0.713 nan 8.230 nan 0.000 0.413 126 I N 3.847 124.542 120.570 0.209 0.000 2.404 126 I HA 0.315 4.485 4.170 0.001 0.000 0.293 126 I C -0.135 176.120 176.117 0.230 0.000 0.992 126 I CA -0.909 60.544 61.300 0.254 0.000 1.149 126 I CB 1.540 39.726 38.000 0.311 0.000 1.315 126 I HN 0.548 nan 8.210 nan 0.000 0.446 127 D N 3.850 124.354 120.400 0.173 0.000 2.548 127 D HA -0.095 4.545 4.640 0.001 0.000 0.231 127 D C 1.319 177.753 176.300 0.223 0.000 1.142 127 D CA 0.366 54.456 54.000 0.149 0.000 0.866 127 D CB 0.767 41.622 40.800 0.092 0.000 1.190 127 D HN 0.421 nan 8.370 nan 0.000 0.469 128 R N 2.090 122.702 120.500 0.187 0.000 2.270 128 R HA -0.273 4.068 4.340 0.001 0.000 0.260 128 R C 1.566 178.020 176.300 0.256 0.000 1.127 128 R CA 2.560 58.775 56.100 0.192 0.000 0.969 128 R CB -0.804 29.564 30.300 0.112 0.000 0.918 128 R HN 0.416 nan 8.270 nan 0.000 0.455 129 S N -2.145 113.655 115.700 0.168 0.000 2.622 129 S HA 0.349 4.819 4.470 0.001 0.000 0.236 129 S C 1.120 175.718 174.600 -0.004 0.000 0.956 129 S CA 0.177 58.452 58.200 0.126 0.000 0.971 129 S CB 0.346 63.585 63.200 0.064 0.000 0.782 129 S HN 0.738 nan 8.310 nan 0.000 0.468 130 G N 0.351 109.055 108.800 -0.160 0.000 2.175 130 G HA2 -0.252 3.708 3.960 0.001 0.000 0.244 130 G HA3 -0.252 3.708 3.960 0.001 0.000 0.244 130 G C 0.011 174.738 174.900 -0.289 0.000 0.982 130 G CA -0.090 44.584 45.100 -0.710 0.000 0.641 130 G HN 0.721 nan 8.290 nan 0.000 0.527 131 V N 1.845 121.704 119.914 -0.093 0.000 2.455 131 V HA 0.609 4.729 4.120 0.001 0.000 0.273 131 V C 1.199 177.363 176.094 0.116 0.000 1.045 131 V CA -0.206 62.086 62.300 -0.014 0.000 0.976 131 V CB 1.010 32.828 31.823 -0.008 0.000 0.993 131 V HN 1.235 nan 8.190 nan 0.000 0.475 132 A N 4.960 127.927 122.820 0.245 0.000 2.513 132 A HA 0.269 4.589 4.320 0.001 0.000 0.274 132 A C 1.116 178.840 177.584 0.234 0.000 1.115 132 A CA 0.431 52.688 52.037 0.367 0.000 0.792 132 A CB -0.025 19.327 19.000 0.588 0.000 1.053 132 A HN 1.387 nan 8.150 nan 0.000 0.515 133 V N -0.017 120.013 119.914 0.193 0.000 3.354 133 V HA 0.567 4.688 4.120 0.001 0.000 0.258 133 V C 0.769 176.934 176.094 0.119 0.000 1.159 133 V CA 0.833 63.211 62.300 0.130 0.000 1.125 133 V CB -1.203 30.676 31.823 0.094 0.000 0.774 133 V HN 1.552 nan 8.190 nan 0.000 0.464 134 A N -0.506 122.409 122.820 0.159 0.000 2.589 134 A HA 0.954 5.275 4.320 0.001 0.000 0.296 134 A C -0.763 176.942 177.584 0.202 0.000 1.062 134 A CA -0.027 52.086 52.037 0.126 0.000 0.686 134 A CB 1.574 20.613 19.000 0.066 0.000 1.282 134 A HN 1.729 nan 8.150 nan 0.000 0.404 135 A N 0.495 123.435 122.820 0.200 0.000 2.518 135 A HA 0.615 4.935 4.320 0.001 0.000 0.295 135 A C 0.789 178.500 177.584 0.212 0.000 1.052 135 A CA 0.380 52.545 52.037 0.213 0.000 0.824 135 A CB 0.263 19.365 19.000 0.171 0.000 1.325 135 A HN 2.308 nan 8.150 nan 0.000 0.394 136 S N 2.006 117.794 115.700 0.146 0.000 2.432 136 S HA -0.294 4.176 4.470 0.001 0.000 0.243 136 S C 0.989 175.594 174.600 0.008 0.000 1.069 136 S CA 2.209 60.474 58.200 0.107 0.000 1.047 136 S CB -0.638 62.574 63.200 0.019 0.000 0.854 136 S HN 1.455 nan 8.310 nan 0.000 0.474 137 N N 1.418 120.051 118.700 -0.113 0.000 2.295 137 N HA 0.032 4.772 4.740 0.001 0.000 0.221 137 N C 1.141 176.555 175.510 -0.160 0.000 1.129 137 N CA 0.095 53.005 53.050 -0.232 0.000 0.836 137 N CB -1.121 37.130 38.487 -0.393 0.000 1.040 137 N HN 0.890 nan 8.380 nan 0.000 0.494 138 W N 1.234 122.487 121.300 -0.078 0.000 2.387 138 W HA -0.147 4.513 4.660 -0.000 0.000 0.272 138 W C 0.406 176.910 176.519 -0.026 0.000 1.224 138 W CA 0.841 58.166 57.345 -0.032 0.000 1.210 138 W CB -0.571 28.884 29.460 -0.009 0.000 1.125 138 W HN 0.181 nan 8.180 nan 0.000 0.572 139 Q N 0.972 120.272 119.800 -0.834 0.000 2.352 139 Q HA 0.083 4.424 4.340 0.001 0.000 0.212 139 Q C 0.269 176.026 176.000 -0.404 0.000 0.888 139 Q CA 0.695 55.975 55.803 -0.873 0.000 0.934 139 Q CB -0.610 27.259 28.738 -1.448 0.000 1.093 139 Q HN 0.165 nan 8.270 nan 0.000 0.523 140 E N 2.759 122.773 120.200 -0.309 0.000 2.318 140 E HA 0.206 4.556 4.350 0.001 0.000 0.265 140 E C -1.765 174.772 176.600 -0.106 0.000 1.069 140 E CA -2.489 53.796 56.400 -0.191 0.000 0.893 140 E CB 0.458 30.046 29.700 -0.186 0.000 1.076 140 E HN -0.016 nan 8.360 nan 0.000 0.414 141 P HA -0.053 nan 4.420 nan 0.000 0.242 141 P C 0.511 177.811 177.300 0.001 0.000 1.197 141 P CA 0.908 63.992 63.100 -0.026 0.000 0.765 141 P CB 0.048 31.734 31.700 -0.023 0.000 0.936 142 T N -4.649 109.896 114.554 -0.016 0.000 3.176 142 T HA 0.142 4.492 4.350 0.001 0.000 0.263 142 T C 0.658 175.392 174.700 0.057 0.000 1.021 142 T CA -0.378 61.745 62.100 0.038 0.000 0.905 142 T CB -0.838 68.039 68.868 0.016 0.000 1.057 142 T HN -0.050 nan 8.240 nan 0.000 0.558 143 S N 1.429 117.145 115.700 0.028 0.000 2.629 143 S HA 0.067 4.537 4.470 0.001 0.000 0.302 143 S C 0.761 175.504 174.600 0.238 0.000 1.244 143 S CA -0.592 57.641 58.200 0.054 0.000 1.098 143 S CB -0.665 62.589 63.200 0.091 0.000 0.858 143 S HN 0.347 nan 8.310 nan 0.000 0.502 144 F N 4.416 124.370 119.950 0.006 0.000 2.494 144 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 144 F C 1.310 177.175 175.800 0.109 0.000 1.106 144 F CA -0.337 57.688 58.000 0.041 0.000 1.452 144 F CB -1.446 37.476 39.000 -0.131 0.000 1.085 144 F HN 0.302 nan 8.300 nan 0.000 0.569 145 V N 0.295 120.377 119.914 0.280 0.000 2.788 145 V HA 0.276 4.397 4.120 0.001 0.000 0.307 145 V C 1.416 177.598 176.094 0.147 0.000 1.069 145 V CA 0.663 63.090 62.300 0.211 0.000 1.173 145 V CB 0.104 32.034 31.823 0.179 0.000 0.925 145 V HN 0.586 nan 8.190 nan 0.000 0.492 146 G N 3.194 112.059 108.800 0.110 0.000 2.153 146 G HA2 -0.235 3.725 3.960 0.001 0.000 0.252 146 G HA3 -0.235 3.725 3.960 0.001 0.000 0.252 146 G C 0.124 175.018 174.900 -0.010 0.000 0.994 146 G CA 0.199 45.328 45.100 0.047 0.000 0.698 146 G HN 0.660 nan 8.290 nan 0.000 0.521 147 N N 0.214 118.900 118.700 -0.023 0.000 2.489 147 N HA 0.507 5.247 4.740 0.001 0.000 0.284 147 N C -0.941 174.292 175.510 -0.460 0.000 1.158 147 N CA -0.567 52.322 53.050 -0.269 0.000 0.965 147 N CB 1.274 39.527 38.487 -0.389 0.000 1.195 147 N HN 0.155 nan 8.380 nan 0.000 0.506 148 D N 0.465 120.492 120.400 -0.622 0.000 2.373 148 D HA 0.220 4.861 4.640 0.001 0.000 0.227 148 D C -0.472 175.443 176.300 -0.641 0.000 1.091 148 D CA -0.153 53.569 54.000 -0.464 0.000 0.840 148 D CB 0.183 40.842 40.800 -0.235 0.000 1.060 148 D HN 0.375 nan 8.370 nan 0.000 0.502 149 Y N 1.956 122.154 120.300 -0.170 0.000 2.507 149 Y HA 0.329 4.879 4.550 0.001 0.000 0.254 149 Y C 1.983 177.590 175.900 -0.489 0.000 1.171 149 Y CA -0.230 57.698 58.100 -0.288 0.000 1.238 149 Y CB 0.053 38.421 38.460 -0.152 0.000 1.148 149 Y HN 0.522 nan 8.280 nan 0.000 0.525 150 A N 0.696 123.326 122.820 -0.316 0.000 1.986 150 A HA -0.259 4.062 4.320 0.001 0.000 0.220 150 A C 1.760 179.448 177.584 0.173 0.000 1.171 150 A CA 2.135 54.103 52.037 -0.115 0.000 0.640 150 A CB -1.227 17.779 19.000 0.010 0.000 0.811 150 A HN 0.589 nan 8.150 nan 0.000 0.451 151 F N 0.477 120.402 119.950 -0.041 0.000 2.765 151 F HA 0.336 4.865 4.527 0.002 0.000 0.302 151 F C 0.711 176.471 175.800 -0.066 0.000 1.111 151 F CA -1.020 56.964 58.000 -0.028 0.000 1.359 151 F CB -0.662 38.310 39.000 -0.045 0.000 1.097 151 F HN 0.086 nan 8.300 nan 0.000 0.577 152 R N 1.225 121.261 120.500 -0.772 0.000 2.591 152 R HA -0.184 4.156 4.340 0.001 0.000 0.286 152 R C 0.172 176.177 176.300 -0.492 0.000 0.975 152 R CA 0.978 56.607 56.100 -0.785 0.000 1.089 152 R CB -0.102 29.517 30.300 -1.135 0.000 0.921 152 R HN 0.231 nan 8.270 nan 0.000 0.437 153 D N -0.482 119.561 120.400 -0.594 0.000 2.525 153 D HA -0.028 4.613 4.640 0.001 0.000 0.248 153 D C 1.726 177.750 176.300 -0.461 0.000 1.000 153 D CA 0.854 54.511 54.000 -0.572 0.000 0.923 153 D CB -0.147 40.124 40.800 -0.882 0.000 1.101 153 D HN 0.689 nan 8.370 nan 0.000 0.493 154 Y N -0.121 120.000 120.300 -0.298 0.000 2.403 154 Y HA -0.053 4.496 4.550 -0.002 0.000 0.291 154 Y C 1.921 177.820 175.900 -0.001 0.000 1.143 154 Y CA 0.467 58.543 58.100 -0.040 0.000 1.257 154 Y CB -1.054 37.506 38.460 0.167 0.000 0.984 154 Y HN -0.046 nan 8.280 nan 0.000 0.550 155 F N 2.887 122.677 119.950 -0.266 0.000 2.123 155 F HA 0.032 4.560 4.527 0.002 0.000 0.289 155 F C 2.606 178.367 175.800 -0.065 0.000 1.099 155 F CA 1.570 59.522 58.000 -0.079 0.000 1.234 155 F CB -0.349 38.581 39.000 -0.117 0.000 1.034 155 F HN -0.041 nan 8.300 nan 0.000 0.479 156 R N 0.871 121.237 120.500 -0.222 0.000 2.115 156 R HA -0.059 4.281 4.340 0.001 0.000 0.226 156 R C 2.070 178.231 176.300 -0.233 0.000 1.100 156 R CA 1.624 57.565 56.100 -0.266 0.000 0.980 156 R CB -1.349 28.924 30.300 -0.045 0.000 0.875 156 R HN 0.390 nan 8.270 nan 0.000 0.445 157 L N 1.109 122.226 121.223 -0.177 0.000 2.131 157 L HA -0.063 4.278 4.340 0.001 0.000 0.210 157 L C 2.787 179.586 176.870 -0.118 0.000 1.092 157 L CA 1.344 56.111 54.840 -0.122 0.000 0.759 157 L CB -0.483 41.516 42.059 -0.099 0.000 0.903 157 L HN 0.290 nan 8.230 nan 0.000 0.435 158 A N -0.474 122.256 122.820 -0.150 0.000 1.903 158 A HA -0.053 4.267 4.320 0.001 0.000 0.213 158 A C 2.309 179.784 177.584 -0.181 0.000 1.185 158 A CA 0.941 52.904 52.037 -0.123 0.000 0.628 158 A CB -0.584 18.366 19.000 -0.084 0.000 0.830 158 A HN 0.129 nan 8.150 nan 0.000 0.446 159 V N 0.533 120.254 119.914 -0.322 0.000 2.252 159 V HA -0.304 3.816 4.120 0.001 0.000 0.249 159 V C 2.687 178.680 176.094 -0.168 0.000 1.056 159 V CA 2.512 64.630 62.300 -0.302 0.000 1.022 159 V CB -0.838 30.701 31.823 -0.472 0.000 0.641 159 V HN 0.687 nan 8.190 nan 0.000 0.445 160 R N -0.158 120.255 120.500 -0.145 0.000 2.062 160 R HA -0.136 4.204 4.340 0.001 0.000 0.229 160 R C 1.774 178.036 176.300 -0.064 0.000 1.128 160 R CA 1.970 58.017 56.100 -0.087 0.000 0.960 160 R CB -0.164 30.093 30.300 -0.072 0.000 0.855 160 R HN 0.519 nan 8.270 nan 0.000 0.432 161 D N -2.072 118.291 120.400 -0.063 0.000 2.355 161 D HA 0.169 4.809 4.640 0.001 0.000 0.206 161 D C 1.122 177.400 176.300 -0.037 0.000 1.010 161 D CA 1.051 55.027 54.000 -0.040 0.000 0.875 161 D CB 1.076 41.858 40.800 -0.030 0.000 0.966 161 D HN 0.525 nan 8.370 nan 0.000 0.512 162 G N 0.876 109.647 108.800 -0.049 0.000 2.308 162 G HA2 -0.232 3.728 3.960 0.001 0.000 0.221 162 G HA3 -0.232 3.728 3.960 0.001 0.000 0.221 162 G C 0.341 175.222 174.900 -0.031 0.000 1.032 162 G CA 0.369 45.445 45.100 -0.040 0.000 0.623 162 G HN 0.384 nan 8.290 nan 0.000 0.506 163 M N -1.221 118.366 119.600 -0.021 0.000 2.618 163 M HA 0.868 5.348 4.480 0.001 0.000 0.281 163 M C -0.892 175.416 176.300 0.012 0.000 1.267 163 M CA -0.459 54.839 55.300 -0.003 0.000 0.845 163 M CB 2.257 34.859 32.600 0.003 0.000 1.732 163 M HN 1.646 nan 8.290 nan 0.000 0.461 164 A N 1.016 123.863 122.820 0.045 0.000 2.594 164 A HA 0.791 5.111 4.320 0.001 0.000 0.295 164 A C -1.811 175.857 177.584 0.141 0.000 1.071 164 A CA -0.655 51.432 52.037 0.083 0.000 0.685 164 A CB 2.036 21.085 19.000 0.081 0.000 1.285 164 A HN 0.895 nan 8.150 nan 0.000 0.405 165 E N 1.062 121.377 120.200 0.193 0.000 2.283 165 E HA 0.422 4.772 4.350 0.001 0.000 0.258 165 E C -1.500 175.357 176.600 0.428 0.000 0.893 165 E CA -0.354 56.212 56.400 0.276 0.000 0.798 165 E CB 1.723 31.549 29.700 0.209 0.000 1.242 165 E HN 0.821 nan 8.360 nan 0.000 0.414 166 H N 1.496 120.779 119.070 0.356 0.000 2.856 166 H HA 0.422 4.976 4.556 -0.002 0.000 0.355 166 H C -1.800 173.832 175.328 0.507 0.000 1.079 166 H CA -0.934 55.354 56.048 0.400 0.000 1.240 166 H CB 1.137 31.073 29.762 0.290 0.000 1.701 166 H HN 0.382 nan 8.280 nan 0.000 0.527 167 F N 4.260 124.335 119.950 0.208 0.000 2.421 167 F HA 0.654 5.182 4.527 0.001 0.000 0.358 167 F C -0.589 175.259 175.800 0.080 0.000 1.115 167 F CA 0.278 58.402 58.000 0.207 0.000 1.160 167 F CB 0.351 39.478 39.000 0.211 0.000 1.123 167 F HN 0.854 nan 8.300 nan 0.000 0.508 168 A N 6.011 128.796 122.820 -0.059 0.000 2.587 168 A HA 0.668 4.988 4.320 0.001 0.000 0.293 168 A C -1.301 176.303 177.584 0.033 0.000 1.087 168 A CA -0.941 51.072 52.037 -0.040 0.000 0.692 168 A CB 1.331 20.151 19.000 -0.299 0.000 1.291 168 A HN 0.681 nan 8.150 nan 0.000 0.407 169 M N 1.506 121.090 119.600 -0.028 0.000 2.217 169 M HA 0.484 4.965 4.480 0.001 0.000 0.354 169 M C 0.735 177.034 176.300 -0.002 0.000 1.225 169 M CA 0.161 55.412 55.300 -0.082 0.000 1.137 169 M CB 0.852 33.248 32.600 -0.340 0.000 1.576 169 M HN 0.890 nan 8.290 nan 0.000 0.461 170 G N 3.306 112.140 108.800 0.056 0.000 2.380 170 G HA2 0.301 4.261 3.960 0.001 0.000 0.262 170 G HA3 0.301 4.261 3.960 0.001 0.000 0.262 170 G C 0.637 175.565 174.900 0.047 0.000 1.243 170 G CA -0.443 44.732 45.100 0.126 0.000 0.865 170 G HN 0.869 nan 8.290 nan 0.000 0.513 171 T N 2.042 116.621 114.554 0.042 0.000 2.536 171 T HA -0.245 4.106 4.350 0.001 0.000 0.263 171 T C 2.537 177.256 174.700 0.033 0.000 1.115 171 T CA 2.192 64.316 62.100 0.040 0.000 1.180 171 T CB -0.314 68.585 68.868 0.052 0.000 0.864 171 T HN 0.273 nan 8.240 nan 0.000 0.419 172 V N 1.509 121.451 119.914 0.046 0.000 2.446 172 V HA -0.079 4.041 4.120 0.001 0.000 0.244 172 V C 2.785 178.911 176.094 0.054 0.000 1.039 172 V CA 1.491 63.825 62.300 0.056 0.000 1.045 172 V CB -1.144 30.730 31.823 0.085 0.000 0.681 172 V HN 0.673 nan 8.190 nan 0.000 0.459 173 S N 0.222 115.968 115.700 0.077 0.000 2.365 173 S HA -0.319 4.151 4.470 0.001 0.000 0.225 173 S C 1.238 175.846 174.600 0.013 0.000 1.039 173 S CA 1.357 59.589 58.200 0.053 0.000 1.033 173 S CB -0.770 62.474 63.200 0.074 0.000 0.887 173 S HN 0.639 nan 8.310 nan 0.000 0.447 174 N N 1.739 120.432 118.700 -0.012 0.000 2.738 174 N HA -0.133 4.607 4.740 0.001 0.000 0.249 174 N C -1.100 174.374 175.510 -0.059 0.000 1.047 174 N CA 1.101 54.105 53.050 -0.077 0.000 0.707 174 N CB -0.960 37.476 38.487 -0.086 0.000 0.937 174 N HN 0.790 nan 8.380 nan 0.000 0.545 175 R N -0.039 120.445 120.500 -0.027 0.000 2.502 175 R HA 0.489 4.830 4.340 0.001 0.000 0.300 175 R C -2.627 173.662 176.300 -0.018 0.000 0.984 175 R CA -1.590 54.503 56.100 -0.011 0.000 0.882 175 R CB 1.884 32.176 30.300 -0.013 0.000 1.180 175 R HN -0.081 nan 8.270 nan 0.000 0.444 176 P HA 0.214 nan 4.420 nan 0.000 0.270 176 P C -0.069 177.055 177.300 -0.294 0.000 1.223 176 P CA 0.124 63.194 63.100 -0.049 0.000 0.785 176 P CB 1.076 32.922 31.700 0.243 0.000 0.923 177 G N 0.043 108.368 108.800 -0.793 0.000 2.322 177 G HA2 0.364 4.324 3.960 0.001 0.000 0.295 177 G HA3 0.364 4.324 3.960 0.001 0.000 0.295 177 G C -2.309 172.172 174.900 -0.698 0.000 1.369 177 G CA -0.685 44.013 45.100 -0.670 0.000 0.821 177 G HN 0.559 nan 8.290 nan 0.000 0.536 178 L N 0.657 121.770 121.223 -0.185 0.000 2.272 178 L HA 0.691 5.031 4.340 0.001 0.000 0.289 178 L C -1.007 175.781 176.870 -0.136 0.000 1.032 178 L CA -0.947 53.963 54.840 0.116 0.000 0.810 178 L CB 0.491 42.858 42.059 0.514 0.000 1.205 178 L HN 0.476 nan 8.230 nan 0.000 0.422 179 Y N 5.984 126.306 120.300 0.037 0.000 2.404 179 Y HA 0.420 4.969 4.550 -0.002 0.000 0.344 179 Y C 0.107 176.022 175.900 0.025 0.000 0.995 179 Y CA -0.186 57.873 58.100 -0.069 0.000 1.201 179 Y CB 0.556 38.908 38.460 -0.180 0.000 1.151 179 Y HN 0.398 nan 8.280 nan 0.000 0.517 180 I N 4.205 124.797 120.570 0.036 0.000 2.328 180 I HA 0.361 4.532 4.170 0.001 0.000 0.287 180 I C -0.273 175.843 176.117 -0.001 0.000 1.012 180 I CA -0.404 60.927 61.300 0.051 0.000 1.195 180 I CB 0.926 38.940 38.000 0.024 0.000 1.350 180 I HN 0.533 nan 8.210 nan 0.000 0.464 181 S N 6.393 122.117 115.700 0.041 0.000 2.599 181 S HA 0.764 5.234 4.470 0.001 0.000 0.294 181 S C -0.617 173.990 174.600 0.012 0.000 1.094 181 S CA -0.972 57.235 58.200 0.011 0.000 0.931 181 S CB 2.689 65.930 63.200 0.068 0.000 1.093 181 S HN 0.640 nan 8.310 nan 0.000 0.488 182 R N 0.360 120.856 120.500 -0.006 0.000 2.533 182 R HA 0.386 4.726 4.340 0.001 0.000 0.288 182 R C -0.872 175.419 176.300 -0.014 0.000 1.039 182 R CA -0.614 55.480 56.100 -0.010 0.000 0.909 182 R CB 2.093 32.387 30.300 -0.011 0.000 1.195 182 R HN 0.820 nan 8.270 nan 0.000 0.438 183 R N 2.561 123.045 120.500 -0.027 0.000 2.537 183 R HA 0.159 4.500 4.340 0.001 0.000 0.280 183 R C -0.593 175.700 176.300 -0.012 0.000 1.058 183 R CA -0.145 55.935 56.100 -0.033 0.000 1.057 183 R CB 0.658 30.924 30.300 -0.056 0.000 0.973 183 R HN 0.265 nan 8.270 nan 0.000 0.438 184 V N 4.738 124.654 119.914 0.003 0.000 2.498 184 V HA 0.196 4.316 4.120 0.001 0.000 0.279 184 V C -0.131 175.967 176.094 0.008 0.000 1.048 184 V CA -0.356 61.950 62.300 0.010 0.000 0.967 184 V CB 1.418 33.256 31.823 0.025 0.000 0.988 184 V HN 0.795 nan 8.190 nan 0.000 0.473 185 D N 2.603 123.005 120.400 0.005 0.000 2.342 185 D HA 0.620 5.260 4.640 0.001 0.000 0.243 185 D C 0.271 176.575 176.300 0.007 0.000 1.019 185 D CA -0.028 53.974 54.000 0.003 0.000 0.864 185 D CB 2.448 43.247 40.800 -0.002 0.000 1.315 185 D HN 0.692 nan 8.370 nan 0.000 0.468 186 G N 0.281 109.086 108.800 0.008 0.000 2.552 186 G HA2 0.571 4.531 3.960 0.001 0.000 0.318 186 G HA3 0.571 4.531 3.960 0.001 0.000 0.318 186 G C -2.501 172.402 174.900 0.005 0.000 1.240 186 G CA -1.214 43.890 45.100 0.007 0.000 1.002 186 G HN 0.241 nan 8.290 nan 0.000 0.493 187 P HA 0.257 nan 4.420 nan 0.000 0.271 187 P C 0.600 177.902 177.300 0.003 0.000 1.233 187 P CA 0.927 64.029 63.100 0.003 0.000 0.764 187 P CB 0.897 32.599 31.700 0.003 0.000 0.825 188 G N 1.771 110.572 108.800 0.002 0.000 2.225 188 G HA2 0.138 4.098 3.960 0.001 0.000 0.264 188 G HA3 0.138 4.098 3.960 0.001 0.000 0.264 188 G C 0.284 175.187 174.900 0.004 0.000 1.060 188 G CA -0.098 45.004 45.100 0.003 0.000 0.833 188 G HN 1.057 nan 8.290 nan 0.000 0.498 189 G N -1.609 107.193 108.800 0.003 0.000 2.352 189 G HA2 0.562 4.522 3.960 0.001 0.000 0.303 189 G HA3 0.562 4.522 3.960 0.001 0.000 0.303 189 G C -3.168 171.735 174.900 0.005 0.000 1.593 189 G CA -0.084 45.019 45.100 0.004 0.000 0.963 189 G HN 0.415 nan 8.290 nan 0.000 0.685 190 P HA 0.442 nan 4.420 nan 0.000 0.271 190 P C 0.553 177.866 177.300 0.021 0.000 1.218 190 P CA -0.323 62.780 63.100 0.005 0.000 0.780 190 P CB 0.938 32.634 31.700 -0.007 0.000 0.901 191 L N 0.652 121.893 121.223 0.029 0.000 2.749 191 L HA 0.462 4.802 4.340 0.001 0.000 0.242 191 L C 1.114 178.028 176.870 0.074 0.000 1.103 191 L CA 0.358 55.225 54.840 0.046 0.000 0.906 191 L CB 0.189 42.270 42.059 0.037 0.000 1.228 191 L HN 0.689 nan 8.230 nan 0.000 0.517 192 G N -0.432 108.416 108.800 0.079 0.000 2.339 192 G HA2 0.256 4.216 3.960 0.001 0.000 0.275 192 G HA3 0.256 4.216 3.960 0.001 0.000 0.275 192 G C -1.887 173.078 174.900 0.108 0.000 1.323 192 G CA -0.515 44.669 45.100 0.140 0.000 0.927 192 G HN -0.289 nan 8.290 nan 0.000 0.486 193 V N 0.242 120.256 119.914 0.166 0.000 2.686 193 V HA 0.658 4.779 4.120 0.001 0.000 0.306 193 V C -0.863 175.280 176.094 0.081 0.000 1.065 193 V CA -0.611 61.762 62.300 0.121 0.000 0.894 193 V CB 1.711 33.647 31.823 0.188 0.000 1.004 193 V HN 0.972 nan 8.190 nan 0.000 0.424 194 I N 5.097 125.674 120.570 0.012 0.000 2.336 194 I HA 0.676 4.847 4.170 0.001 0.000 0.292 194 I C -0.558 175.481 176.117 -0.130 0.000 0.991 194 I CA -0.106 61.167 61.300 -0.046 0.000 1.227 194 I CB 1.560 39.545 38.000 -0.024 0.000 1.366 194 I HN 0.393 nan 8.210 nan 0.000 0.466 195 V N 7.537 127.266 119.914 -0.309 0.000 2.487 195 V HA 0.850 4.970 4.120 0.001 0.000 0.298 195 V C -0.087 175.778 176.094 -0.381 0.000 1.028 195 V CA -0.619 61.403 62.300 -0.463 0.000 0.860 195 V CB 1.224 32.438 31.823 -1.015 0.000 0.991 195 V HN 0.889 nan 8.190 nan 0.000 0.427 196 A N 4.438 127.128 122.820 -0.217 0.000 2.331 196 A HA 0.800 5.120 4.320 0.001 0.000 0.320 196 A C -0.521 176.959 177.584 -0.173 0.000 1.138 196 A CA -0.709 51.243 52.037 -0.142 0.000 0.790 196 A CB 1.347 20.293 19.000 -0.091 0.000 1.206 196 A HN 0.746 nan 8.150 nan 0.000 0.470 197 K N 2.561 122.850 120.400 -0.184 0.000 2.292 197 K HA 0.589 4.909 4.320 0.001 0.000 0.257 197 K C -1.976 174.405 176.600 -0.365 0.000 0.940 197 K CA -0.654 55.405 56.287 -0.380 0.000 0.811 197 K CB 1.369 33.535 32.500 -0.556 0.000 1.120 197 K HN 0.568 nan 8.250 nan 0.000 0.428 198 L N 3.561 124.536 121.223 -0.412 0.000 2.343 198 L HA 0.462 4.803 4.340 0.001 0.000 0.278 198 L C -1.083 175.422 176.870 -0.607 0.000 0.996 198 L CA -0.031 54.554 54.840 -0.424 0.000 0.831 198 L CB 1.478 43.334 42.059 -0.339 0.000 1.232 198 L HN 0.724 nan 8.230 nan 0.000 0.413 199 E N 3.384 123.237 120.200 -0.578 0.000 2.222 199 E HA 0.389 4.739 4.350 0.001 0.000 0.267 199 E C -0.725 175.501 176.600 -0.623 0.000 0.963 199 E CA -0.287 55.828 56.400 -0.475 0.000 0.837 199 E CB 1.512 31.063 29.700 -0.249 0.000 1.183 199 E HN 0.621 nan 8.360 nan 0.000 0.403 200 F N 0.516 120.431 119.950 -0.060 0.000 2.698 200 F HA 0.158 4.686 4.527 0.001 0.000 0.304 200 F C 0.779 176.490 175.800 -0.148 0.000 1.108 200 F CA -0.240 57.706 58.000 -0.091 0.000 1.263 200 F CB 0.452 39.410 39.000 -0.071 0.000 1.013 200 F HN 0.409 nan 8.300 nan 0.000 0.532 201 D N 0.660 121.054 120.400 -0.011 0.000 2.203 201 D HA -0.190 4.450 4.640 0.001 0.000 0.199 201 D C 2.441 178.690 176.300 -0.084 0.000 0.997 201 D CA 1.709 55.680 54.000 -0.048 0.000 0.863 201 D CB -0.254 40.514 40.800 -0.054 0.000 0.928 201 D HN 0.383 nan 8.370 nan 0.000 0.458 202 G N 0.420 109.162 108.800 -0.097 0.000 2.454 202 G HA2 -0.189 3.771 3.960 0.001 0.000 0.214 202 G HA3 -0.189 3.771 3.960 0.001 0.000 0.214 202 G C 1.766 176.570 174.900 -0.160 0.000 1.217 202 G CA 1.025 46.063 45.100 -0.103 0.000 0.799 202 G HN 0.353 nan 8.290 nan 0.000 0.538 203 V N -0.461 119.327 119.914 -0.210 0.000 2.759 203 V HA -0.022 4.099 4.120 0.001 0.000 0.256 203 V C 2.112 177.664 176.094 -0.903 0.000 1.080 203 V CA 2.534 64.555 62.300 -0.465 0.000 1.101 203 V CB -0.411 31.171 31.823 -0.401 0.000 0.698 203 V HN 0.489 nan 8.190 nan 0.000 0.477 204 E N 0.784 120.645 120.200 -0.565 0.000 2.152 204 E HA 0.019 4.369 4.350 0.001 0.000 0.192 204 E C 2.374 178.852 176.600 -0.203 0.000 0.983 204 E CA 1.108 57.245 56.400 -0.438 0.000 0.818 204 E CB -0.236 29.342 29.700 -0.202 0.000 0.758 204 E HN 0.765 nan 8.360 nan 0.000 0.467 205 A N 1.812 124.537 122.820 -0.158 0.000 1.872 205 A HA -0.186 4.134 4.320 0.001 0.000 0.214 205 A C 1.641 179.216 177.584 -0.016 0.000 1.187 205 A CA 1.485 53.483 52.037 -0.064 0.000 0.614 205 A CB -0.294 18.673 19.000 -0.056 0.000 0.826 205 A HN 0.068 nan 8.150 nan 0.000 0.442 206 D N -0.377 120.000 120.400 -0.038 0.000 2.120 206 D HA -0.214 4.426 4.640 0.001 0.000 0.191 206 D C 1.728 178.158 176.300 0.217 0.000 0.994 206 D CA 1.456 55.498 54.000 0.069 0.000 0.838 206 D CB -0.686 40.160 40.800 0.076 0.000 0.976 206 D HN 0.626 nan 8.370 nan 0.000 0.447 207 W N 1.117 122.431 121.300 0.023 0.000 2.290 207 W HA -0.187 4.471 4.660 -0.003 0.000 0.318 207 W C 2.521 179.048 176.519 0.013 0.000 1.248 207 W CA 0.732 58.088 57.345 0.018 0.000 1.263 207 W CB -1.566 27.904 29.460 0.018 0.000 1.147 207 W HN 0.156 nan 8.180 nan 0.000 0.494 208 Q N 0.299 120.245 119.800 0.244 0.000 2.234 208 Q HA -0.102 4.239 4.340 0.001 0.000 0.206 208 Q C 2.033 178.090 176.000 0.095 0.000 0.980 208 Q CA 2.278 58.156 55.803 0.125 0.000 0.869 208 Q CB -0.647 28.127 28.738 0.060 0.000 0.912 208 Q HN 0.188 nan 8.270 nan 0.000 0.436 209 A N -0.859 122.021 122.820 0.101 0.000 2.267 209 A HA 0.095 4.415 4.320 0.001 0.000 0.213 209 A C 2.006 179.641 177.584 0.085 0.000 1.192 209 A CA 0.799 52.882 52.037 0.077 0.000 0.851 209 A CB -0.376 18.660 19.000 0.059 0.000 0.881 209 A HN 0.453 nan 8.150 nan 0.000 0.494 210 S N -0.857 114.913 115.700 0.116 0.000 2.399 210 S HA 0.204 4.674 4.470 0.001 0.000 0.231 210 S C 1.706 176.346 174.600 0.067 0.000 1.022 210 S CA 1.617 59.872 58.200 0.091 0.000 0.983 210 S CB -0.561 62.696 63.200 0.095 0.000 0.803 210 S HN 1.877 nan 8.310 nan 0.000 0.480 211 G N 0.821 109.666 108.800 0.075 0.000 2.176 211 G HA2 -0.190 3.770 3.960 0.001 0.000 0.253 211 G HA3 -0.190 3.770 3.960 0.001 0.000 0.253 211 G C -0.102 174.850 174.900 0.087 0.000 0.979 211 G CA 0.324 45.469 45.100 0.075 0.000 0.641 211 G HN 0.594 nan 8.290 nan 0.000 0.530 212 K N 0.960 121.399 120.400 0.065 0.000 2.579 212 K HA 0.410 4.730 4.320 0.001 0.000 0.225 212 K C -2.893 173.718 176.600 0.018 0.000 0.992 212 K CA -1.868 54.448 56.287 0.048 0.000 1.018 212 K CB 2.468 34.962 32.500 -0.009 0.000 1.249 212 K HN 0.063 nan 8.250 nan 0.000 0.489 213 P HA 0.007 nan 4.420 nan 0.000 0.267 213 P C -0.861 176.464 177.300 0.041 0.000 1.195 213 P CA 0.251 63.400 63.100 0.081 0.000 0.773 213 P CB 0.604 32.350 31.700 0.076 0.000 0.837 214 A N 1.814 124.707 122.820 0.121 0.000 2.594 214 A HA 0.688 5.009 4.320 0.001 0.000 0.296 214 A C -1.814 175.877 177.584 0.177 0.000 1.061 214 A CA -0.516 51.456 52.037 -0.110 0.000 0.689 214 A CB 0.857 19.500 19.000 -0.596 0.000 1.280 214 A HN 0.545 nan 8.150 nan 0.000 0.406 215 Y N -1.545 118.825 120.300 0.116 0.000 2.644 215 Y HA 0.845 5.394 4.550 -0.001 0.000 0.338 215 Y C -0.975 174.939 175.900 0.023 0.000 1.119 215 Y CA -1.649 56.542 58.100 0.152 0.000 1.060 215 Y CB 1.323 39.880 38.460 0.162 0.000 1.294 215 Y HN 0.507 nan 8.280 nan 0.000 0.472 216 V N 1.797 121.770 119.914 0.097 0.000 2.531 216 V HA 0.596 4.716 4.120 0.001 0.000 0.301 216 V C -0.437 175.553 176.094 -0.172 0.000 1.034 216 V CA -0.410 61.835 62.300 -0.092 0.000 0.865 216 V CB 1.856 33.536 31.823 -0.238 0.000 0.995 216 V HN 1.025 nan 8.190 nan 0.000 0.424 217 T N 0.243 114.749 114.554 -0.080 0.000 2.925 217 T HA 0.679 5.029 4.350 0.001 0.000 0.285 217 T C -0.377 174.271 174.700 -0.087 0.000 1.021 217 T CA -0.814 61.224 62.100 -0.103 0.000 1.042 217 T CB 1.892 70.771 68.868 0.018 0.000 1.037 217 T HN 0.718 nan 8.240 nan 0.000 0.481 218 D N 1.110 121.467 120.400 -0.072 0.000 2.469 218 D HA 0.275 4.915 4.640 0.001 0.000 0.278 218 D C 1.412 177.798 176.300 0.144 0.000 1.231 218 D CA -0.859 53.219 54.000 0.130 0.000 1.075 218 D CB 0.610 41.500 40.800 0.150 0.000 1.121 218 D HN 0.524 nan 8.370 nan 0.000 0.571 219 R N -0.917 119.686 120.500 0.172 0.000 2.081 219 R HA -0.047 4.293 4.340 0.001 0.000 0.235 219 R C 2.337 178.687 176.300 0.084 0.000 1.131 219 R CA 1.411 57.581 56.100 0.117 0.000 0.960 219 R CB -0.318 30.048 30.300 0.110 0.000 0.856 219 R HN 0.416 nan 8.270 nan 0.000 0.436 220 R N -0.611 119.940 120.500 0.086 0.000 2.152 220 R HA -0.018 4.323 4.340 0.001 0.000 0.232 220 R C 1.139 177.467 176.300 0.047 0.000 1.117 220 R CA 1.068 57.208 56.100 0.065 0.000 0.981 220 R CB -0.008 30.337 30.300 0.076 0.000 0.870 220 R HN 0.468 nan 8.270 nan 0.000 0.451 221 G N 0.401 109.228 108.800 0.044 0.000 2.155 221 G HA2 -0.158 3.803 3.960 0.001 0.000 0.135 221 G HA3 -0.158 3.803 3.960 0.001 0.000 0.135 221 G C -0.177 174.721 174.900 -0.003 0.000 1.023 221 G CA -0.732 44.381 45.100 0.022 0.000 0.688 221 G HN 0.124 nan 8.290 nan 0.000 0.499 222 I N 1.038 121.606 120.570 -0.003 0.000 2.377 222 I HA 0.418 4.588 4.170 0.001 0.000 0.293 222 I C 0.793 176.853 176.117 -0.095 0.000 0.987 222 I CA -1.244 60.051 61.300 -0.008 0.000 1.185 222 I CB 2.045 40.089 38.000 0.073 0.000 1.341 222 I HN -0.103 nan 8.210 nan 0.000 0.455 223 V N 7.264 127.097 119.914 -0.136 0.000 2.479 223 V HA 0.046 4.167 4.120 0.001 0.000 0.281 223 V C 1.045 176.899 176.094 -0.401 0.000 1.031 223 V CA 0.334 62.505 62.300 -0.214 0.000 1.038 223 V CB 0.570 32.268 31.823 -0.209 0.000 0.981 223 V HN 0.653 nan 8.190 nan 0.000 0.478 224 L N 5.328 126.176 121.223 -0.626 0.000 2.286 224 L HA 0.387 4.727 4.340 0.001 0.000 0.203 224 L C 0.445 176.741 176.870 -0.956 0.000 1.068 224 L CA 0.721 54.905 54.840 -1.094 0.000 0.811 224 L CB 0.137 41.107 42.059 -1.816 0.000 0.989 224 L HN 0.410 nan 8.230 nan 0.000 0.467 225 I N 0.034 120.171 120.570 -0.723 0.000 2.436 225 I HA 0.353 4.523 4.170 0.001 0.000 0.289 225 I C -0.395 175.662 176.117 -0.101 0.000 1.010 225 I CA -0.134 60.910 61.300 -0.428 0.000 1.098 225 I CB 2.135 39.751 38.000 -0.641 0.000 1.266 225 I HN -0.089 nan 8.210 nan 0.000 0.434 226 T N 1.876 116.430 114.554 -0.000 0.000 2.923 226 T HA 0.204 4.555 4.350 0.001 0.000 0.311 226 T C 0.614 175.403 174.700 0.149 0.000 1.183 226 T CA -0.301 61.917 62.100 0.196 0.000 1.020 226 T CB 1.681 70.667 68.868 0.196 0.000 1.165 226 T HN 0.622 nan 8.240 nan 0.000 0.482 227 S N 2.738 118.602 115.700 0.274 0.000 2.603 227 S HA 0.258 4.728 4.470 0.001 0.000 0.220 227 S C 0.162 174.762 174.600 -0.000 0.000 0.967 227 S CA -0.043 58.257 58.200 0.167 0.000 0.920 227 S CB -0.667 62.729 63.200 0.328 0.000 0.773 227 S HN 0.501 nan 8.310 nan 0.000 0.529 228 L N 1.086 122.257 121.223 -0.088 0.000 2.377 228 L HA 0.512 4.853 4.340 0.001 0.000 0.270 228 L C -2.166 174.562 176.870 -0.237 0.000 0.991 228 L CA -1.855 52.784 54.840 -0.334 0.000 0.851 228 L CB 1.629 43.130 42.059 -0.929 0.000 1.218 228 L HN -0.166 nan 8.230 nan 0.000 0.420 229 P HA -0.150 nan 4.420 nan 0.000 0.218 229 P C 1.161 178.439 177.300 -0.036 0.000 1.148 229 P CA 1.190 64.252 63.100 -0.062 0.000 0.822 229 P CB 0.219 31.898 31.700 -0.036 0.000 0.784 230 S N -3.295 112.352 115.700 -0.088 0.000 2.701 230 S HA -0.014 4.456 4.470 0.001 0.000 0.220 230 S C 0.987 175.675 174.600 0.146 0.000 0.954 230 S CA -0.191 58.014 58.200 0.007 0.000 0.936 230 S CB -1.021 62.170 63.200 -0.016 0.000 0.777 230 S HN 0.127 nan 8.310 nan 0.000 0.518 231 W N 2.009 123.249 121.300 -0.100 0.000 3.114 231 W HA 0.447 5.107 4.660 0.001 0.000 0.279 231 W C 1.097 177.488 176.519 -0.214 0.000 1.277 231 W CA -1.582 55.647 57.345 -0.193 0.000 1.630 231 W CB -0.539 28.770 29.460 -0.251 0.000 1.087 231 W HN 0.241 nan 8.180 nan 0.000 0.637 232 R N 0.823 121.329 120.500 0.010 0.000 2.585 232 R HA -0.006 4.334 4.340 0.001 0.000 0.275 232 R C 0.354 176.544 176.300 -0.183 0.000 1.018 232 R CA 0.601 56.540 56.100 -0.268 0.000 1.072 232 R CB -0.110 29.978 30.300 -0.354 0.000 0.953 232 R HN 0.033 nan 8.270 nan 0.000 0.419 233 F N -0.846 119.139 119.950 0.059 0.000 2.987 233 F HA -0.324 4.202 4.527 -0.002 0.000 0.309 233 F C 0.446 176.228 175.800 -0.031 0.000 0.724 233 F CA 0.366 58.390 58.000 0.040 0.000 1.079 233 F CB -1.841 37.240 39.000 0.134 0.000 1.432 233 F HN 0.482 nan 8.300 nan 0.000 0.351 234 M N 0.333 119.936 119.600 0.005 0.000 2.131 234 M HA 0.331 4.812 4.480 0.001 0.000 0.283 234 M C 1.081 177.306 176.300 -0.124 0.000 1.225 234 M CA 0.713 55.950 55.300 -0.105 0.000 1.153 234 M CB 0.219 32.662 32.600 -0.262 0.000 1.380 234 M HN 0.284 nan 8.290 nan 0.000 0.458 235 T N -3.118 111.339 114.554 -0.163 0.000 2.930 235 T HA 0.734 5.084 4.350 0.001 0.000 0.290 235 T C 0.452 175.049 174.700 -0.172 0.000 1.052 235 T CA -0.138 61.885 62.100 -0.128 0.000 1.017 235 T CB 1.430 70.252 68.868 -0.077 0.000 1.137 235 T HN 0.740 nan 8.240 nan 0.000 0.511 236 T N -2.708 111.784 114.554 -0.103 0.000 3.016 236 T HA 0.369 4.719 4.350 0.001 0.000 0.271 236 T C 0.832 175.513 174.700 -0.033 0.000 0.968 236 T CA -0.454 61.601 62.100 -0.076 0.000 0.891 236 T CB 0.256 69.112 68.868 -0.020 0.000 1.149 236 T HN 0.484 nan 8.240 nan 0.000 0.524 237 K N 1.445 121.828 120.400 -0.028 0.000 4.183 237 K HA 0.436 4.756 4.320 0.001 0.000 0.171 237 K C -1.091 175.499 176.600 -0.015 0.000 1.146 237 K CA -0.182 56.099 56.287 -0.011 0.000 1.795 237 K CB -0.248 32.253 32.500 0.001 0.000 2.483 237 K HN 0.154 nan 8.250 nan 0.000 0.523 238 P HA 0.415 nan 4.420 nan 0.000 0.172 238 P C -0.307 176.984 177.300 -0.015 0.000 1.002 238 P CA -0.058 63.031 63.100 -0.018 0.000 0.826 238 P CB 0.699 32.392 31.700 -0.012 0.000 0.751 239 I N -5.487 115.079 120.570 -0.007 0.000 1.568 239 I HA 0.467 4.637 4.170 0.001 0.000 0.312 239 I C -2.281 173.836 176.117 0.000 0.000 3.174 239 I CA -1.229 60.070 61.300 -0.000 0.000 1.046 239 I CB 0.060 38.059 38.000 -0.003 0.000 2.548 239 I HN 0.256 nan 8.210 nan 0.000 0.694 240 A N 2.156 124.978 122.820 0.004 0.000 2.340 240 A HA 0.643 4.964 4.320 0.001 0.000 0.297 240 A C 0.651 178.236 177.584 0.002 0.000 1.195 240 A CA -0.173 51.865 52.037 0.003 0.000 0.769 240 A CB 1.204 20.208 19.000 0.006 0.000 1.163 240 A HN 0.932 nan 8.150 nan 0.000 0.472 241 E N 1.411 121.610 120.200 -0.001 0.000 2.330 241 E HA -0.307 4.043 4.350 0.001 0.000 0.239 241 E C 0.326 176.926 176.600 0.000 0.000 1.097 241 E CA 2.184 58.582 56.400 -0.003 0.000 1.031 241 E CB 0.042 29.739 29.700 -0.004 0.000 0.885 241 E HN 0.759 nan 8.360 nan 0.000 0.479 242 D N -0.798 119.604 120.400 0.004 0.000 2.324 242 D HA 0.027 4.667 4.640 0.001 0.000 0.235 242 D C 0.559 176.865 176.300 0.010 0.000 1.095 242 D CA 0.285 54.289 54.000 0.006 0.000 0.871 242 D CB 0.148 40.951 40.800 0.006 0.000 0.906 242 D HN 0.101 nan 8.370 nan 0.000 0.522 243 R N -0.483 120.024 120.500 0.012 0.000 2.577 243 R HA 0.280 4.620 4.340 0.001 0.000 0.344 243 R C 1.558 177.870 176.300 0.019 0.000 1.037 243 R CA -0.102 56.010 56.100 0.019 0.000 1.102 243 R CB 0.717 31.031 30.300 0.023 0.000 1.313 243 R HN 0.115 nan 8.270 nan 0.000 0.561 244 L N -0.461 120.768 121.223 0.009 0.000 2.162 244 L HA 0.100 4.441 4.340 0.001 0.000 0.205 244 L C 2.324 179.195 176.870 0.002 0.000 1.086 244 L CA 1.133 55.974 54.840 0.001 0.000 0.778 244 L CB -0.189 41.865 42.059 -0.010 0.000 0.928 244 L HN 0.205 nan 8.230 nan 0.000 0.446 245 A N 0.234 123.058 122.820 0.006 0.000 1.943 245 A HA 0.055 4.375 4.320 0.001 0.000 0.213 245 A C -0.224 177.376 177.584 0.027 0.000 1.181 245 A CA 0.590 52.633 52.037 0.010 0.000 0.653 245 A CB -1.517 17.488 19.000 0.008 0.000 0.833 245 A HN 0.241 nan 8.150 nan 0.000 0.451 246 P HA -0.286 nan 4.420 nan 0.000 0.222 246 P C 1.549 178.885 177.300 0.060 0.000 1.147 246 P CA 1.888 65.015 63.100 0.045 0.000 0.958 246 P CB -0.275 31.452 31.700 0.045 0.000 0.788 247 I N -0.856 119.747 120.570 0.054 0.000 2.110 247 I HA -0.212 3.958 4.170 0.001 0.000 0.236 247 I C 3.031 179.180 176.117 0.053 0.000 1.068 247 I CA 1.573 62.912 61.300 0.064 0.000 1.333 247 I CB -0.603 37.428 38.000 0.051 0.000 1.054 247 I HN -0.134 nan 8.210 nan 0.000 0.402 248 R N 0.761 121.271 120.500 0.017 0.000 2.112 248 R HA -0.248 4.092 4.340 0.001 0.000 0.242 248 R C 2.195 178.526 176.300 0.052 0.000 1.137 248 R CA 2.024 58.124 56.100 -0.001 0.000 0.944 248 R CB -0.492 29.788 30.300 -0.033 0.000 0.857 248 R HN 0.495 nan 8.270 nan 0.000 0.435 249 E N 0.033 120.270 120.200 0.062 0.000 2.038 249 E HA -0.214 4.137 4.350 0.001 0.000 0.195 249 E C 2.114 178.785 176.600 0.118 0.000 1.000 249 E CA 1.443 57.898 56.400 0.091 0.000 0.803 249 E CB -0.223 29.525 29.700 0.080 0.000 0.750 249 E HN 0.176 nan 8.360 nan 0.000 0.448 250 S N 0.662 116.437 115.700 0.124 0.000 2.372 250 S HA -0.181 4.289 4.470 0.001 0.000 0.227 250 S C 1.926 176.644 174.600 0.198 0.000 1.044 250 S CA 1.200 59.513 58.200 0.189 0.000 1.050 250 S CB -0.228 63.084 63.200 0.187 0.000 0.901 250 S HN 0.173 nan 8.310 nan 0.000 0.447 251 L N 0.780 122.079 121.223 0.127 0.000 2.465 251 L HA 0.116 4.456 4.340 0.001 0.000 0.224 251 L C 0.927 177.825 176.870 0.046 0.000 1.145 251 L CA 0.579 55.466 54.840 0.077 0.000 0.834 251 L CB -0.440 41.627 42.059 0.013 0.000 0.944 251 L HN 0.414 nan 8.230 nan 0.000 0.451 252 Q N -2.042 117.810 119.800 0.087 0.000 2.502 252 Q HA -0.275 4.066 4.340 0.001 0.000 0.273 252 Q C 0.536 176.595 176.000 0.099 0.000 1.127 252 Q CA 1.141 56.991 55.803 0.079 0.000 0.952 252 Q CB -2.046 26.697 28.738 0.008 0.000 1.333 252 Q HN 0.636 nan 8.270 nan 0.000 0.494 253 F N -1.288 118.625 119.950 -0.061 0.000 2.421 253 F HA 0.318 4.844 4.527 -0.001 0.000 0.270 253 F C 1.625 177.392 175.800 -0.056 0.000 0.894 253 F CA 0.590 58.533 58.000 -0.095 0.000 1.128 253 F CB 0.713 39.572 39.000 -0.234 0.000 1.011 253 F HN 0.353 nan 8.300 nan 0.000 0.788 254 G N 1.709 110.594 108.800 0.143 0.000 2.547 254 G HA2 -0.427 3.533 3.960 0.001 0.000 0.271 254 G HA3 -0.427 3.533 3.960 0.001 0.000 0.271 254 G C -0.532 174.217 174.900 -0.252 0.000 1.209 254 G CA 0.115 45.208 45.100 -0.011 0.000 0.959 254 G HN 0.646 nan 8.290 nan 0.000 0.563 255 D N 0.711 120.959 120.400 -0.254 0.000 4.684 255 D HA 0.304 4.945 4.640 0.001 0.000 0.218 255 D C 0.729 176.500 176.300 -0.883 0.000 1.032 255 D CA 1.433 55.197 54.000 -0.393 0.000 1.629 255 D CB -1.195 39.483 40.800 -0.202 0.000 1.304 255 D HN 1.547 nan 8.370 nan 0.000 0.644 256 A N 1.432 123.671 122.820 -0.969 0.000 2.304 256 A HA 0.488 4.809 4.320 0.001 0.000 0.271 256 A C -0.608 176.764 177.584 -0.355 0.000 1.091 256 A CA -1.115 50.379 52.037 -0.904 0.000 0.812 256 A CB 0.665 19.291 19.000 -0.623 0.000 1.056 256 A HN 0.234 nan 8.150 nan 0.000 0.489 257 P HA -0.123 nan 4.420 nan 0.000 0.213 257 P C 0.566 177.830 177.300 -0.060 0.000 1.170 257 P CA 0.940 63.996 63.100 -0.073 0.000 0.893 257 P CB -0.235 31.467 31.700 0.004 0.000 0.784 258 L N -2.695 118.514 121.223 -0.023 0.000 3.858 258 L HA -0.204 4.136 4.340 0.001 0.000 0.425 258 L C 0.084 176.928 176.870 -0.042 0.000 1.177 258 L CA -0.024 54.803 54.840 -0.022 0.000 0.943 258 L CB -2.364 39.680 42.059 -0.025 0.000 1.861 258 L HN 0.056 nan 8.230 nan 0.000 0.985 259 L N -0.512 120.679 121.223 -0.054 0.000 2.399 259 L HA 0.532 4.873 4.340 0.001 0.000 0.265 259 L C -1.726 175.073 176.870 -0.118 0.000 1.089 259 L CA -1.747 53.049 54.840 -0.073 0.000 0.802 259 L CB 0.431 42.451 42.059 -0.065 0.000 1.180 259 L HN -0.241 nan 8.230 nan 0.000 0.454 260 P HA 0.028 nan 4.420 nan 0.000 0.268 260 P C -0.570 176.532 177.300 -0.329 0.000 1.208 260 P CA -0.192 62.789 63.100 -0.197 0.000 0.777 260 P CB 0.339 31.949 31.700 -0.150 0.000 0.875 261 L N 4.062 124.965 121.223 -0.532 0.000 2.499 261 L HA 0.060 4.400 4.340 0.001 0.000 0.281 261 L C -1.194 175.214 176.870 -0.769 0.000 1.234 261 L CA -1.007 53.263 54.840 -0.950 0.000 0.839 261 L CB -0.225 40.808 42.059 -1.710 0.000 1.104 261 L HN 0.374 nan 8.230 nan 0.000 0.500 262 P HA 0.047 nan 4.420 nan 0.000 0.235 262 P C -0.557 176.655 177.300 -0.147 0.000 1.725 262 P CA 0.147 63.071 63.100 -0.292 0.000 0.894 262 P CB -0.554 31.093 31.700 -0.090 0.000 1.704 263 F N 0.795 120.626 119.950 -0.198 0.000 2.445 263 F HA 0.324 4.850 4.527 -0.001 0.000 0.359 263 F C 1.505 177.269 175.800 -0.060 0.000 1.101 263 F CA -0.914 57.006 58.000 -0.132 0.000 1.177 263 F CB 1.209 40.098 39.000 -0.185 0.000 1.110 263 F HN -0.111 nan 8.300 nan 0.000 0.522 264 R N 3.009 123.620 120.500 0.186 0.000 2.711 264 R HA 0.355 4.696 4.340 0.001 0.000 0.284 264 R C -0.631 175.721 176.300 0.086 0.000 0.968 264 R CA -0.766 55.397 56.100 0.105 0.000 0.924 264 R CB 1.200 31.541 30.300 0.070 0.000 1.162 264 R HN 0.734 nan 8.270 nan 0.000 0.465 265 K N 2.761 123.196 120.400 0.058 0.000 3.244 265 K HA -0.093 4.227 4.320 0.001 0.000 0.269 265 K C -0.916 175.705 176.600 0.035 0.000 1.150 265 K CA 0.203 56.515 56.287 0.042 0.000 0.799 265 K CB -1.057 31.468 32.500 0.043 0.000 1.286 265 K HN 0.539 nan 8.250 nan 0.000 0.488 266 I N 1.575 122.165 120.570 0.033 0.000 2.416 266 I HA 0.076 4.247 4.170 0.001 0.000 0.288 266 I C 0.456 176.581 176.117 0.014 0.000 1.051 266 I CA 0.220 61.535 61.300 0.024 0.000 1.375 266 I CB 0.908 38.927 38.000 0.033 0.000 1.407 266 I HN 0.128 nan 8.210 nan 0.000 0.516 267 E N 5.717 125.921 120.200 0.007 0.000 2.235 267 E HA 0.485 4.835 4.350 0.001 0.000 0.252 267 E C -0.695 175.905 176.600 -0.001 0.000 0.886 267 E CA -0.705 55.697 56.400 0.003 0.000 0.767 267 E CB 1.852 31.553 29.700 0.003 0.000 1.205 267 E HN 0.728 nan 8.360 nan 0.000 0.421 268 A N 3.807 126.627 122.820 0.000 0.000 2.462 268 A HA 0.317 4.637 4.320 0.001 0.000 0.243 268 A C 0.087 177.669 177.584 -0.004 0.000 1.076 268 A CA 0.115 52.150 52.037 -0.002 0.000 0.773 268 A CB 0.403 19.403 19.000 -0.000 0.000 1.010 268 A HN 0.592 nan 8.150 nan 0.000 0.493 269 R N 1.943 122.439 120.500 -0.006 0.000 2.778 269 R HA 0.394 4.734 4.340 0.001 0.000 0.277 269 R C -1.887 174.409 176.300 -0.007 0.000 0.977 269 R CA -1.758 54.337 56.100 -0.007 0.000 0.950 269 R CB 1.090 31.384 30.300 -0.009 0.000 1.165 269 R HN 0.445 nan 8.270 nan 0.000 0.474 270 P HA -0.224 nan 4.420 nan 0.000 0.215 270 P C 0.331 177.627 177.300 -0.007 0.000 1.157 270 P CA 1.363 64.460 63.100 -0.006 0.000 0.874 270 P CB 0.092 31.789 31.700 -0.005 0.000 0.790 271 D N -1.937 118.458 120.400 -0.009 0.000 2.392 271 D HA -0.042 4.599 4.640 0.001 0.000 0.228 271 D C 1.300 177.593 176.300 -0.012 0.000 1.003 271 D CA 1.097 55.090 54.000 -0.010 0.000 0.917 271 D CB -0.512 40.281 40.800 -0.011 0.000 0.890 271 D HN 0.319 nan 8.370 nan 0.000 0.532 272 G N 0.886 109.680 108.800 -0.011 0.000 2.213 272 G HA2 -0.341 3.619 3.960 0.001 0.000 0.236 272 G HA3 -0.341 3.619 3.960 0.001 0.000 0.236 272 G C 0.596 175.486 174.900 -0.017 0.000 0.991 272 G CA 0.431 45.524 45.100 -0.013 0.000 0.629 272 G HN 0.724 nan 8.290 nan 0.000 0.517 273 S N 0.085 115.774 115.700 -0.019 0.000 2.658 273 S HA 0.640 5.111 4.470 0.001 0.000 0.249 273 S C 0.508 175.096 174.600 -0.020 0.000 1.363 273 S CA 1.107 59.293 58.200 -0.023 0.000 0.964 273 S CB 1.294 64.481 63.200 -0.021 0.000 0.973 273 S HN 2.188 nan 8.310 nan 0.000 0.588 274 S N -1.346 114.339 115.700 -0.024 0.000 2.596 274 S HA 0.710 5.180 4.470 0.001 0.000 0.270 274 S C -0.662 173.926 174.600 -0.020 0.000 1.155 274 S CA -0.504 57.685 58.200 -0.019 0.000 0.827 274 S CB 1.084 64.272 63.200 -0.019 0.000 1.130 274 S HN 1.317 nan 8.310 nan 0.000 0.467 275 T N -0.465 114.082 114.554 -0.012 0.000 2.940 275 T HA 0.852 5.202 4.350 0.001 0.000 0.288 275 T C -0.621 174.075 174.700 -0.007 0.000 1.033 275 T CA -0.754 61.343 62.100 -0.005 0.000 1.033 275 T CB 0.788 69.656 68.868 -0.001 0.000 1.079 275 T HN 1.495 nan 8.240 nan 0.000 0.496 276 L N -1.568 119.659 121.223 0.006 0.000 2.671 276 L HA 0.849 5.189 4.340 0.001 0.000 0.259 276 L C -1.685 175.237 176.870 0.086 0.000 1.021 276 L CA -1.034 53.812 54.840 0.011 0.000 0.871 276 L CB 1.164 43.164 42.059 -0.098 0.000 1.472 276 L HN 0.416 nan 8.230 nan 0.000 0.410 277 D N 0.799 121.266 120.400 0.111 0.000 2.181 277 D HA 0.829 5.470 4.640 0.001 0.000 0.248 277 D C -0.723 175.732 176.300 0.258 0.000 1.020 277 D CA 0.156 54.264 54.000 0.181 0.000 0.891 277 D CB 2.097 42.971 40.800 0.123 0.000 1.187 277 D HN 1.036 nan 8.370 nan 0.000 0.443 278 A N 1.874 124.918 122.820 0.374 0.000 2.456 278 A HA 0.439 4.759 4.320 0.001 0.000 0.288 278 A C -1.383 176.472 177.584 0.451 0.000 1.042 278 A CA -0.640 51.667 52.037 0.450 0.000 0.738 278 A CB 0.734 19.957 19.000 0.372 0.000 1.266 278 A HN 0.503 nan 8.150 nan 0.000 0.407 279 L N 3.204 124.646 121.223 0.365 0.000 2.259 279 L HA 0.464 4.804 4.340 0.001 0.000 0.288 279 L C -0.983 176.060 176.870 0.288 0.000 1.051 279 L CA -0.577 54.429 54.840 0.278 0.000 0.824 279 L CB 0.489 42.662 42.059 0.191 0.000 1.206 279 L HN 0.723 nan 8.230 nan 0.000 0.429 280 L N 7.530 128.908 121.223 0.259 0.000 2.418 280 L HA 0.421 4.761 4.340 0.001 0.000 0.265 280 L C -1.780 175.123 176.870 0.054 0.000 1.143 280 L CA -1.307 53.607 54.840 0.123 0.000 0.809 280 L CB 0.252 42.385 42.059 0.122 0.000 1.124 280 L HN 0.438 nan 8.230 nan 0.000 0.456 281 P HA 0.091 nan 4.420 nan 0.000 0.268 281 P C 0.657 177.959 177.300 0.003 0.000 1.205 281 P CA 0.534 63.624 63.100 -0.018 0.000 0.771 281 P CB 0.874 32.534 31.700 -0.067 0.000 0.858 282 G N 1.530 110.339 108.800 0.015 0.000 2.245 282 G HA2 -0.192 3.768 3.960 0.001 0.000 0.264 282 G HA3 -0.192 3.768 3.960 0.001 0.000 0.264 282 G C -0.035 174.883 174.900 0.030 0.000 0.985 282 G CA 0.185 45.296 45.100 0.018 0.000 0.625 282 G HN 0.582 nan 8.290 nan 0.000 0.536 283 D N 0.438 120.866 120.400 0.046 0.000 2.228 283 D HA 0.596 5.236 4.640 0.001 0.000 0.247 283 D C 0.857 177.196 176.300 0.065 0.000 0.995 283 D CA 0.428 54.464 54.000 0.059 0.000 0.903 283 D CB 1.563 42.417 40.800 0.090 0.000 1.205 283 D HN 0.437 nan 8.370 nan 0.000 0.459 284 S N 0.091 115.823 115.700 0.054 0.000 2.584 284 S HA 0.111 4.582 4.470 0.001 0.000 0.270 284 S C 0.562 175.208 174.600 0.077 0.000 1.346 284 S CA -0.629 57.604 58.200 0.055 0.000 1.018 284 S CB 0.886 64.108 63.200 0.036 0.000 0.899 284 S HN 0.392 nan 8.310 nan 0.000 0.542 285 T N 1.153 115.757 114.554 0.084 0.000 2.933 285 T HA 0.403 4.754 4.350 0.001 0.000 0.306 285 T C 0.009 174.750 174.700 0.068 0.000 1.045 285 T CA 0.370 62.536 62.100 0.110 0.000 1.143 285 T CB -0.803 68.123 68.868 0.097 0.000 1.003 285 T HN 1.201 nan 8.240 nan 0.000 0.540 286 A N 3.360 126.229 122.820 0.082 0.000 2.527 286 A HA 0.869 5.189 4.320 0.001 0.000 0.293 286 A C -0.361 177.138 177.584 -0.142 0.000 1.117 286 A CA -0.491 51.488 52.037 -0.098 0.000 0.723 286 A CB 1.457 20.296 19.000 -0.269 0.000 1.313 286 A HN 1.254 nan 8.150 nan 0.000 0.411 287 A N 0.186 122.846 122.820 -0.268 0.000 2.310 287 A HA 0.801 5.121 4.320 0.001 0.000 0.299 287 A C -0.920 176.411 177.584 -0.421 0.000 1.147 287 A CA -0.150 51.777 52.037 -0.183 0.000 0.818 287 A CB -0.051 18.886 19.000 -0.105 0.000 1.096 287 A HN 0.715 nan 8.150 nan 0.000 0.495 288 F N 0.326 120.245 119.950 -0.050 0.000 2.593 288 F HA 0.547 5.075 4.527 0.002 0.000 0.320 288 F C -0.233 175.518 175.800 -0.082 0.000 1.060 288 F CA -0.882 57.079 58.000 -0.065 0.000 0.940 288 F CB 1.907 40.852 39.000 -0.091 0.000 1.268 288 F HN 0.416 nan 8.300 nan 0.000 0.475 289 L N 2.552 123.857 121.223 0.137 0.000 2.276 289 L HA 0.493 4.834 4.340 0.001 0.000 0.286 289 L C -0.268 176.615 176.870 0.022 0.000 1.061 289 L CA -0.256 54.612 54.840 0.047 0.000 0.807 289 L CB 0.860 42.931 42.059 0.019 0.000 1.177 289 L HN 0.624 nan 8.230 nan 0.000 0.429 290 R N 4.666 125.146 120.500 -0.033 0.000 2.393 290 R HA 0.764 5.104 4.340 0.001 0.000 0.310 290 R C -1.304 174.954 176.300 -0.070 0.000 0.968 290 R CA -0.608 55.443 56.100 -0.083 0.000 0.867 290 R CB 1.319 31.545 30.300 -0.123 0.000 1.124 290 R HN 0.570 nan 8.270 nan 0.000 0.450 291 V N 0.099 119.959 119.914 -0.090 0.000 3.074 291 V HA 0.692 4.812 4.120 0.001 0.000 0.314 291 V C -0.986 175.040 176.094 -0.114 0.000 1.117 291 V CA -0.801 61.450 62.300 -0.083 0.000 1.014 291 V CB 1.873 33.653 31.823 -0.072 0.000 1.057 291 V HN 0.929 nan 8.190 nan 0.000 0.438 292 E N 0.716 120.861 120.200 -0.092 0.000 2.393 292 E HA 0.689 5.040 4.350 0.001 0.000 0.273 292 E C -1.652 174.904 176.600 -0.075 0.000 0.918 292 E CA -0.388 55.953 56.400 -0.098 0.000 0.773 292 E CB 2.704 32.364 29.700 -0.067 0.000 1.275 292 E HN 1.057 nan 8.360 nan 0.000 0.451 293 T N 2.221 116.732 114.554 -0.071 0.000 3.047 293 T HA 0.344 4.694 4.350 0.001 0.000 0.340 293 T C -1.141 173.547 174.700 -0.020 0.000 1.421 293 T CA -0.693 61.380 62.100 -0.045 0.000 1.090 293 T CB 0.777 69.612 68.868 -0.054 0.000 1.292 293 T HN 0.395 nan 8.240 nan 0.000 0.480 294 M N 3.209 122.808 119.600 -0.001 0.000 2.248 294 M HA 0.352 4.832 4.480 0.001 0.000 0.337 294 M C -0.124 176.195 176.300 0.032 0.000 1.121 294 M CA -0.388 54.926 55.300 0.023 0.000 1.155 294 M CB 0.568 33.176 32.600 0.014 0.000 1.514 294 M HN 0.382 nan 8.290 nan 0.000 0.452 295 V N 6.621 126.577 119.914 0.069 0.000 2.353 295 V HA 0.268 4.389 4.120 0.001 0.000 0.264 295 V C -2.079 174.018 176.094 0.005 0.000 1.049 295 V CA -1.727 60.618 62.300 0.076 0.000 0.896 295 V CB 0.587 32.525 31.823 0.192 0.000 1.025 295 V HN 0.697 nan 8.190 nan 0.000 0.475 296 P HA 0.031 nan 4.420 nan 0.000 0.266 296 P C 0.769 178.031 177.300 -0.064 0.000 1.193 296 P CA 0.829 63.913 63.100 -0.027 0.000 0.770 296 P CB 0.441 32.136 31.700 -0.008 0.000 0.836 297 S N -0.420 115.233 115.700 -0.078 0.000 3.445 297 S HA -0.186 4.285 4.470 0.001 0.000 0.319 297 S C 0.233 174.713 174.600 -0.199 0.000 1.209 297 S CA 1.380 59.518 58.200 -0.104 0.000 0.934 297 S CB -2.846 60.312 63.200 -0.070 0.000 0.999 297 S HN 0.874 nan 8.310 nan 0.000 0.582 298 T N -1.845 112.545 114.554 -0.273 0.000 2.804 298 T HA 0.662 5.013 4.350 0.001 0.000 0.290 298 T C -0.440 174.050 174.700 -0.349 0.000 1.099 298 T CA -0.668 61.116 62.100 -0.527 0.000 1.011 298 T CB 1.208 69.463 68.868 -1.022 0.000 1.291 298 T HN 0.115 nan 8.240 nan 0.000 0.523 299 N N 0.542 118.995 118.700 -0.411 0.000 2.671 299 N HA 0.186 4.927 4.740 0.001 0.000 0.303 299 N C -1.355 174.233 175.510 0.130 0.000 1.351 299 N CA -0.259 52.732 53.050 -0.099 0.000 0.991 299 N CB 0.215 38.696 38.487 -0.010 0.000 1.307 299 N HN 0.530 nan 8.380 nan 0.000 0.512 300 W N 1.533 122.835 121.300 0.004 0.000 2.666 300 W HA 0.406 5.074 4.660 0.013 0.000 0.334 300 W C 0.633 177.141 176.519 -0.018 0.000 1.051 300 W CA -1.132 56.205 57.345 -0.013 0.000 1.224 300 W CB 0.852 30.294 29.460 -0.031 0.000 1.405 300 W HN 0.009 nan 8.180 nan 0.000 0.513 301 R N 1.647 122.271 120.500 0.208 0.000 2.486 301 R HA 0.815 5.155 4.340 0.001 0.000 0.286 301 R C -1.013 175.310 176.300 0.039 0.000 0.999 301 R CA -0.878 55.279 56.100 0.094 0.000 0.993 301 R CB 1.638 31.968 30.300 0.049 0.000 1.084 301 R HN 0.554 nan 8.270 nan 0.000 0.487 302 L N 1.159 122.364 121.223 -0.030 0.000 2.322 302 L HA 0.471 4.811 4.340 0.001 0.000 0.281 302 L C -0.933 175.775 176.870 -0.271 0.000 1.014 302 L CA -0.433 54.317 54.840 -0.150 0.000 0.815 302 L CB 1.759 43.738 42.059 -0.133 0.000 1.247 302 L HN 0.766 nan 8.230 nan 0.000 0.421 303 E N 3.864 123.757 120.200 -0.512 0.000 2.222 303 E HA 0.389 4.740 4.350 0.001 0.000 0.267 303 E C -1.543 174.663 176.600 -0.655 0.000 0.884 303 E CA -0.633 55.412 56.400 -0.592 0.000 0.764 303 E CB 2.327 31.611 29.700 -0.693 0.000 1.169 303 E HN 0.537 nan 8.360 nan 0.000 0.413 304 Q N 3.123 122.690 119.800 -0.388 0.000 2.375 304 Q HA 0.498 4.838 4.340 0.001 0.000 0.271 304 Q C -1.552 174.343 176.000 -0.175 0.000 1.074 304 Q CA -0.738 54.891 55.803 -0.290 0.000 0.808 304 Q CB 1.416 29.998 28.738 -0.259 0.000 1.327 304 Q HN 0.483 nan 8.270 nan 0.000 0.441 305 L N 1.684 122.839 121.223 -0.114 0.000 2.329 305 L HA 0.604 4.944 4.340 0.001 0.000 0.279 305 L C -0.651 176.287 176.870 0.112 0.000 1.014 305 L CA -0.829 53.981 54.840 -0.050 0.000 0.814 305 L CB 2.060 43.928 42.059 -0.318 0.000 1.257 305 L HN 0.540 nan 8.230 nan 0.000 0.424 306 S N 2.817 118.634 115.700 0.195 0.000 2.478 306 S HA 0.456 4.926 4.470 0.001 0.000 0.312 306 S C -2.545 172.196 174.600 0.236 0.000 1.094 306 S CA -1.299 57.011 58.200 0.183 0.000 1.081 306 S CB 1.714 64.953 63.200 0.063 0.000 1.007 306 S HN 0.389 nan 8.310 nan 0.000 0.475 307 P HA 0.078 nan 4.420 nan 0.000 0.263 307 P C -0.271 176.943 177.300 -0.144 0.000 1.195 307 P CA -0.383 62.610 63.100 -0.178 0.000 0.762 307 P CB 0.317 31.947 31.700 -0.118 0.000 0.799 308 L N 0.000 121.093 121.223 -0.217 0.000 2.949 308 L HA 0.000 4.340 4.340 0.001 0.000 0.249 308 L CA 0.000 54.764 54.840 -0.126 0.000 0.813 308 L CB 0.000 41.985 42.059 -0.123 0.000 0.961 308 L HN 0.000 nan 8.230 nan 0.000 0.502