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 2b5u_1_A DATA FIRST_RESID 82 DATA SEQUENCE SAVAAPVAFG FPALSTPGAG GLAVSISAGA LSAAIADIMA ALKGPFKFGL DATA SEQUENCE WGVALYGVLP SQIAKDDPNM MSKIVTSLPA DDITESPVSS LPLDKATVNV DATA SEQUENCE NVRVVDDVKD ERQNISVVSG VPMSCPVVDA KPTERPGVFT ASIPGAPVLN DATA SEQUENCE ISVNNSTPAV QTLSPGVTNN TDKDVRPAGF TQGGNTRDAV IRFPKDSGHN DATA SEQUENCE AVYVSVSDVL SPDQVKQRQD EENRRQQEWD ATHPVEAAER NYERARAELN DATA SEQUENCE QANEDVARNQ ERQAKAVQVY NSRKSELDAA NKTLADAIAE IKQFNRFAHD DATA SEQUENCE PMAGGHRMWQ MAGLKAQRAQ TDVNNKQAAF DAAAKEKSDA DAALSSAMES DATA SEQUENCE RKKKEDKKRS AENNLNDEKN KPRKGFKDYG HDYHPAPKTE NIKGLGDLKP DATA SEQUENCE GIPKTPKQNG GGKRKRWTGD KGRKIYEWDS QHGELEGYRA SDGQHLGSFD DATA SEQUENCE PKTGNQLKGP DPKRNIKKYL 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 82 S HA 0.000 nan 4.470 nan 0.000 0.327 82 S C 0.000 174.594 174.600 -0.010 0.000 1.055 82 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 82 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 83 A N 1.723 124.538 122.820 -0.009 0.000 3.204 83 A HA 0.942 5.262 4.320 0.001 0.000 0.197 83 A C 0.142 177.720 177.584 -0.010 0.000 1.915 83 A CA 0.062 52.093 52.037 -0.009 0.000 0.878 83 A CB 0.079 19.074 19.000 -0.008 0.000 1.868 83 A HN 1.047 nan 8.150 nan 0.000 0.685 84 V N -5.285 114.622 119.914 -0.011 0.000 3.242 84 V HA 0.880 5.001 4.120 0.001 0.000 0.298 84 V C -0.549 175.535 176.094 -0.016 0.000 1.352 84 V CA -0.320 61.972 62.300 -0.013 0.000 1.052 84 V CB 0.955 32.769 31.823 -0.016 0.000 1.101 84 V HN 2.114 nan 8.190 nan 0.000 0.446 85 A N 0.847 123.654 122.820 -0.021 0.000 2.587 85 A HA 1.023 5.344 4.320 0.001 0.000 0.293 85 A C -0.052 177.506 177.584 -0.045 0.000 1.087 85 A CA -0.440 51.580 52.037 -0.028 0.000 0.692 85 A CB 1.509 20.495 19.000 -0.023 0.000 1.291 85 A HN 2.601 nan 8.150 nan 0.000 0.407 86 A N 1.762 124.548 122.820 -0.057 0.000 2.511 86 A HA 0.561 4.882 4.320 0.001 0.000 0.242 86 A C -2.380 175.135 177.584 -0.115 0.000 1.069 86 A CA -0.776 51.212 52.037 -0.082 0.000 0.763 86 A CB -0.828 18.117 19.000 -0.092 0.000 1.001 86 A HN 0.490 nan 8.150 nan 0.000 0.498 87 P HA 0.219 nan 4.420 nan 0.000 0.264 87 P C -0.631 176.534 177.300 -0.224 0.000 1.193 87 P CA 0.233 63.248 63.100 -0.142 0.000 0.763 87 P CB 0.636 32.266 31.700 -0.117 0.000 0.810 88 V N 2.764 122.535 119.914 -0.237 0.000 2.864 88 V HA 0.694 4.815 4.120 0.001 0.000 0.314 88 V C 0.136 176.073 176.094 -0.261 0.000 1.073 88 V CA -0.809 61.290 62.300 -0.336 0.000 0.956 88 V CB 2.071 33.745 31.823 -0.249 0.000 1.023 88 V HN 0.622 nan 8.190 nan 0.000 0.435 89 A N 2.891 125.585 122.820 -0.209 0.000 2.279 89 A HA 0.775 5.096 4.320 0.001 0.000 0.303 89 A C -0.404 177.171 177.584 -0.015 0.000 1.108 89 A CA -0.421 51.541 52.037 -0.125 0.000 0.830 89 A CB 0.249 19.250 19.000 0.002 0.000 1.106 89 A HN 0.627 nan 8.150 nan 0.000 0.493 90 F N 0.491 120.512 119.950 0.118 0.000 2.595 90 F HA 0.317 4.845 4.527 0.001 0.000 0.359 90 F C 1.814 177.721 175.800 0.179 0.000 1.147 90 F CA 1.965 60.048 58.000 0.139 0.000 1.341 90 F CB 0.462 39.530 39.000 0.113 0.000 1.104 90 F HN 0.979 nan 8.300 nan 0.000 0.603 91 G N 2.529 111.565 108.800 0.393 0.000 2.304 91 G HA2 -0.358 3.603 3.960 0.001 0.000 0.252 91 G HA3 -0.358 3.603 3.960 0.001 0.000 0.252 91 G C 0.108 175.206 174.900 0.329 0.000 1.014 91 G CA -0.119 45.178 45.100 0.330 0.000 0.619 91 G HN 0.581 nan 8.290 nan 0.000 0.525 92 F N 4.504 124.535 119.950 0.135 0.000 2.484 92 F HA 0.529 5.057 4.527 0.001 0.000 0.360 92 F C -1.578 174.166 175.800 -0.094 0.000 1.101 92 F CA -1.523 56.484 58.000 0.012 0.000 1.251 92 F CB 1.193 40.182 39.000 -0.019 0.000 1.132 92 F HN -0.009 nan 8.300 nan 0.000 0.570 93 P HA 0.205 nan 4.420 nan 0.000 0.245 93 P C -1.274 175.825 177.300 -0.336 0.000 1.740 93 P CA -0.212 62.533 63.100 -0.591 0.000 1.125 93 P CB 0.547 31.654 31.700 -0.988 0.000 1.747 94 A N 4.713 127.568 122.820 0.059 0.000 2.484 94 A HA 0.227 4.548 4.320 0.001 0.000 0.268 94 A C -0.001 177.604 177.584 0.034 0.000 1.114 94 A CA -0.175 51.959 52.037 0.163 0.000 0.780 94 A CB -0.388 18.700 19.000 0.147 0.000 1.061 94 A HN 0.597 nan 8.150 nan 0.000 0.505 95 L N 4.107 125.351 121.223 0.034 0.000 2.275 95 L HA 0.688 5.029 4.340 0.001 0.000 0.288 95 L C 0.176 177.052 176.870 0.011 0.000 1.046 95 L CA 0.636 55.475 54.840 -0.003 0.000 0.805 95 L CB 1.270 43.317 42.059 -0.021 0.000 1.193 95 L HN 0.825 nan 8.230 nan 0.000 0.426 96 S N 1.494 117.195 115.700 0.001 0.000 2.570 96 S HA 0.608 5.078 4.470 0.001 0.000 0.270 96 S C -0.758 173.840 174.600 -0.003 0.000 1.149 96 S CA -0.772 57.429 58.200 0.001 0.000 0.837 96 S CB 1.573 64.775 63.200 0.004 0.000 1.124 96 S HN 0.503 nan 8.310 nan 0.000 0.465 97 T N 3.195 117.747 114.554 -0.003 0.000 3.029 97 T HA 0.495 4.845 4.350 0.001 0.000 0.346 97 T C -2.606 172.091 174.700 -0.005 0.000 1.211 97 T CA -0.817 61.281 62.100 -0.004 0.000 1.009 97 T CB 0.208 69.074 68.868 -0.004 0.000 1.084 97 T HN 0.505 nan 8.240 nan 0.000 0.536 98 P HA 0.149 nan 4.420 nan 0.000 0.265 98 P C 0.562 177.859 177.300 -0.006 0.000 1.167 98 P CA 0.269 63.366 63.100 -0.006 0.000 0.760 98 P CB 0.456 32.152 31.700 -0.007 0.000 0.783 99 G N 0.681 109.478 108.800 -0.006 0.000 2.753 99 G HA2 0.462 4.422 3.960 0.001 0.000 0.285 99 G HA3 0.462 4.422 3.960 0.001 0.000 0.285 99 G C 0.882 175.778 174.900 -0.006 0.000 1.344 99 G CA -0.168 44.928 45.100 -0.006 0.000 1.050 99 G HN 0.473 nan 8.290 nan 0.000 0.532 100 A N -1.021 121.796 122.820 -0.006 0.000 2.070 100 A HA 0.115 4.436 4.320 0.001 0.000 0.220 100 A C 2.365 179.945 177.584 -0.006 0.000 1.159 100 A CA 2.211 54.245 52.037 -0.006 0.000 0.656 100 A CB -0.686 18.311 19.000 -0.005 0.000 0.800 100 A HN 1.013 nan 8.150 nan 0.000 0.453 101 G N -1.743 107.053 108.800 -0.006 0.000 2.511 101 G HA2 0.414 4.375 3.960 0.001 0.000 0.217 101 G HA3 0.414 4.375 3.960 0.001 0.000 0.217 101 G C 0.938 175.834 174.900 -0.006 0.000 1.133 101 G CA 0.742 45.838 45.100 -0.007 0.000 0.792 101 G HN 1.636 nan 8.290 nan 0.000 0.539 102 G N -1.028 107.768 108.800 -0.006 0.000 2.342 102 G HA2 -0.041 3.920 3.960 0.001 0.000 0.220 102 G HA3 -0.041 3.920 3.960 0.001 0.000 0.220 102 G C -0.927 173.970 174.900 -0.006 0.000 1.243 102 G CA -0.646 44.450 45.100 -0.006 0.000 1.083 102 G HN 0.431 nan 8.290 nan 0.000 0.500 103 L N 0.982 122.202 121.223 -0.006 0.000 2.307 103 L HA 0.693 5.033 4.340 0.001 0.000 0.282 103 L C 0.924 177.794 176.870 -0.001 0.000 1.051 103 L CA -0.441 54.396 54.840 -0.005 0.000 0.804 103 L CB 1.639 43.694 42.059 -0.008 0.000 1.197 103 L HN 1.086 nan 8.230 nan 0.000 0.431 104 A N 3.713 126.533 122.820 -0.001 0.000 2.301 104 A HA 0.710 5.031 4.320 0.001 0.000 0.312 104 A C -0.716 176.870 177.584 0.003 0.000 1.182 104 A CA -0.427 51.611 52.037 0.002 0.000 0.826 104 A CB 1.103 20.101 19.000 -0.003 0.000 1.134 104 A HN 0.420 nan 8.150 nan 0.000 0.501 105 V N 2.302 122.222 119.914 0.010 0.000 2.419 105 V HA 0.438 4.558 4.120 0.001 0.000 0.287 105 V C 0.063 176.160 176.094 0.006 0.000 1.017 105 V CA -0.347 61.959 62.300 0.009 0.000 0.844 105 V CB 1.339 33.174 31.823 0.020 0.000 1.011 105 V HN 0.866 nan 8.190 nan 0.000 0.429 106 S N 6.245 121.931 115.700 -0.022 0.000 2.520 106 S HA 0.636 5.106 4.470 0.001 0.000 0.324 106 S C -0.505 174.041 174.600 -0.090 0.000 1.069 106 S CA -0.553 57.623 58.200 -0.041 0.000 1.121 106 S CB 0.158 63.330 63.200 -0.047 0.000 0.971 106 S HN 0.473 nan 8.310 nan 0.000 0.463 107 I N 3.834 124.338 120.570 -0.110 0.000 2.353 107 I HA 0.287 4.458 4.170 0.001 0.000 0.293 107 I C 0.728 176.698 176.117 -0.246 0.000 0.992 107 I CA -0.384 60.774 61.300 -0.237 0.000 1.268 107 I CB 1.402 39.210 38.000 -0.320 0.000 1.387 107 I HN 0.546 nan 8.210 nan 0.000 0.478 108 S N 5.900 121.422 115.700 -0.297 0.000 2.642 108 S HA 0.503 4.974 4.470 0.001 0.000 0.309 108 S C 0.427 174.883 174.600 -0.239 0.000 1.125 108 S CA -0.662 57.414 58.200 -0.206 0.000 1.055 108 S CB -0.268 62.831 63.200 -0.167 0.000 1.157 108 S HN 0.708 nan 8.310 nan 0.000 0.513 109 A N 3.409 126.138 122.820 -0.150 0.000 2.555 109 A HA 0.568 4.888 4.320 0.001 0.000 0.233 109 A C 0.898 178.564 177.584 0.137 0.000 1.060 109 A CA 0.438 52.505 52.037 0.049 0.000 0.759 109 A CB -0.325 18.751 19.000 0.127 0.000 0.995 109 A HN 1.524 nan 8.150 nan 0.000 0.506 110 G N -0.564 108.425 108.800 0.316 0.000 2.282 110 G HA2 0.588 4.548 3.960 0.001 0.000 0.274 110 G HA3 0.588 4.548 3.960 0.001 0.000 0.274 110 G C -0.285 174.766 174.900 0.252 0.000 1.718 110 G CA -0.065 45.159 45.100 0.207 0.000 0.927 110 G HN 2.150 nan 8.290 nan 0.000 0.733 111 A N 1.804 124.704 122.820 0.134 0.000 2.622 111 A HA 0.401 4.721 4.320 0.001 0.000 0.235 111 A C 1.325 178.981 177.584 0.120 0.000 1.013 111 A CA 0.857 52.942 52.037 0.080 0.000 0.765 111 A CB -0.263 18.764 19.000 0.045 0.000 0.921 111 A HN 2.201 nan 8.150 nan 0.000 0.506 112 L N 2.476 123.746 121.223 0.079 0.000 2.485 112 L HA 0.394 4.735 4.340 0.001 0.000 0.275 112 L C 0.783 177.714 176.870 0.102 0.000 1.207 112 L CA -0.047 54.869 54.840 0.126 0.000 0.855 112 L CB 0.001 42.098 42.059 0.063 0.000 1.114 112 L HN 0.901 nan 8.230 nan 0.000 0.485 113 S N 2.502 118.278 115.700 0.126 0.000 2.554 113 S HA 0.117 4.587 4.470 0.001 0.000 0.290 113 S C 1.280 175.918 174.600 0.063 0.000 1.309 113 S CA -0.130 58.127 58.200 0.095 0.000 1.047 113 S CB 1.128 64.394 63.200 0.110 0.000 0.828 113 S HN 1.009 nan 8.310 nan 0.000 0.509 114 A N 3.199 126.047 122.820 0.047 0.000 1.972 114 A HA 0.193 4.513 4.320 0.001 0.000 0.219 114 A C 2.432 180.031 177.584 0.026 0.000 1.169 114 A CA 1.628 53.683 52.037 0.030 0.000 0.635 114 A CB -1.582 17.432 19.000 0.023 0.000 0.810 114 A HN 1.406 nan 8.150 nan 0.000 0.446 115 A N 0.007 122.847 122.820 0.033 0.000 1.865 115 A HA -0.099 4.221 4.320 0.001 0.000 0.217 115 A C 1.990 179.583 177.584 0.014 0.000 1.191 115 A CA 1.861 53.912 52.037 0.022 0.000 0.623 115 A CB -0.592 18.426 19.000 0.030 0.000 0.826 115 A HN 0.401 nan 8.150 nan 0.000 0.444 116 I N 0.068 120.658 120.570 0.033 0.000 2.163 116 I HA -0.180 3.990 4.170 0.001 0.000 0.240 116 I C 2.930 179.057 176.117 0.017 0.000 1.081 116 I CA 1.351 62.668 61.300 0.029 0.000 1.353 116 I CB -0.766 37.279 38.000 0.075 0.000 1.054 116 I HN 0.311 nan 8.210 nan 0.000 0.407 117 A N -0.105 122.728 122.820 0.022 0.000 1.948 117 A HA -0.283 4.038 4.320 0.001 0.000 0.220 117 A C 1.992 179.574 177.584 -0.003 0.000 1.177 117 A CA 2.419 54.460 52.037 0.006 0.000 0.636 117 A CB -0.894 18.110 19.000 0.007 0.000 0.815 117 A HN 0.416 nan 8.150 nan 0.000 0.449 118 D N -0.393 120.007 120.400 -0.000 0.000 2.123 118 D HA -0.042 4.598 4.640 0.001 0.000 0.200 118 D C 1.811 178.106 176.300 -0.008 0.000 0.976 118 D CA 0.910 54.907 54.000 -0.006 0.000 0.831 118 D CB -0.237 40.561 40.800 -0.004 0.000 0.974 118 D HN 0.495 nan 8.370 nan 0.000 0.469 119 I N 0.234 120.799 120.570 -0.009 0.000 2.163 119 I HA -0.295 3.876 4.170 0.001 0.000 0.243 119 I C 2.326 178.442 176.117 -0.002 0.000 1.085 119 I CA 0.985 62.278 61.300 -0.011 0.000 1.347 119 I CB -0.198 37.786 38.000 -0.028 0.000 1.044 119 I HN 0.041 nan 8.210 nan 0.000 0.408 120 M N 0.047 119.643 119.600 -0.006 0.000 2.149 120 M HA -0.219 4.262 4.480 0.001 0.000 0.261 120 M C 2.496 178.790 176.300 -0.011 0.000 1.064 120 M CA 1.987 57.283 55.300 -0.007 0.000 1.102 120 M CB -0.467 32.123 32.600 -0.016 0.000 1.369 120 M HN 0.340 nan 8.290 nan 0.000 0.408 121 A N 0.265 123.075 122.820 -0.018 0.000 1.902 121 A HA -0.048 4.273 4.320 0.001 0.000 0.217 121 A C 2.348 179.911 177.584 -0.036 0.000 1.181 121 A CA 1.876 53.894 52.037 -0.031 0.000 0.623 121 A CB -0.885 18.097 19.000 -0.030 0.000 0.818 121 A HN 0.498 nan 8.150 nan 0.000 0.443 122 A N -0.521 122.293 122.820 -0.010 0.000 1.898 122 A HA -0.012 4.309 4.320 0.001 0.000 0.216 122 A C 2.107 179.738 177.584 0.079 0.000 1.181 122 A CA 1.634 53.680 52.037 0.015 0.000 0.620 122 A CB -0.615 18.406 19.000 0.035 0.000 0.819 122 A HN 0.729 nan 8.150 nan 0.000 0.442 123 L N -0.148 121.133 121.223 0.096 0.000 2.127 123 L HA -0.123 4.217 4.340 0.001 0.000 0.211 123 L C 1.945 178.917 176.870 0.169 0.000 1.089 123 L CA 2.112 57.067 54.840 0.192 0.000 0.757 123 L CB -0.357 41.765 42.059 0.105 0.000 0.899 123 L HN 0.338 nan 8.230 nan 0.000 0.434 124 K N 0.028 120.426 120.400 -0.003 0.000 2.432 124 K HA 0.139 4.459 4.320 0.001 0.000 0.196 124 K C 1.018 177.438 176.600 -0.300 0.000 1.038 124 K CA 0.356 56.591 56.287 -0.086 0.000 0.986 124 K CB -0.449 32.008 32.500 -0.072 0.000 0.782 124 K HN 0.456 nan 8.250 nan 0.000 0.485 125 G N 3.555 112.059 108.800 -0.494 0.000 2.163 125 G HA2 -0.075 3.886 3.960 0.001 0.000 0.239 125 G HA3 -0.075 3.886 3.960 0.001 0.000 0.239 125 G C -2.433 171.777 174.900 -1.151 0.000 1.148 125 G CA -0.731 43.869 45.100 -0.833 0.000 0.880 125 G HN -0.007 nan 8.290 nan 0.000 0.466 126 P HA 0.063 nan 4.420 nan 0.000 0.250 126 P C -0.289 176.728 177.300 -0.471 0.000 1.198 126 P CA 0.636 63.483 63.100 -0.423 0.000 1.118 126 P CB -0.238 31.327 31.700 -0.225 0.000 1.208 127 F N 1.133 121.000 119.950 -0.138 0.000 2.461 127 F HA 0.407 4.935 4.527 0.001 0.000 0.337 127 F C 1.481 177.282 175.800 0.002 0.000 1.079 127 F CA -1.312 56.544 58.000 -0.239 0.000 1.032 127 F CB 0.890 39.445 39.000 -0.741 0.000 1.327 127 F HN -0.141 nan 8.300 nan 0.000 0.491 128 K N 0.697 121.285 120.400 0.314 0.000 2.319 128 K HA 0.056 4.376 4.320 0.001 0.000 0.265 128 K C -0.603 176.307 176.600 0.517 0.000 1.000 128 K CA -0.281 56.225 56.287 0.366 0.000 0.943 128 K CB 0.393 33.099 32.500 0.343 0.000 0.950 128 K HN 0.380 nan 8.250 nan 0.000 0.485 129 F N 1.249 121.341 119.950 0.237 0.000 2.623 129 F HA 0.123 4.651 4.527 0.001 0.000 0.383 129 F C 0.786 176.658 175.800 0.121 0.000 1.077 129 F CA 1.624 59.727 58.000 0.172 0.000 1.268 129 F CB 0.059 39.104 39.000 0.076 0.000 1.053 129 F HN 0.657 nan 8.300 nan 0.000 0.571 130 G N 5.489 113.890 108.800 -0.666 0.000 2.336 130 G HA2 0.202 4.163 3.960 0.001 0.000 0.300 130 G HA3 0.202 4.163 3.960 0.001 0.000 0.300 130 G C -2.364 172.056 174.900 -0.801 0.000 1.375 130 G CA -1.161 43.461 45.100 -0.798 0.000 0.885 130 G HN 0.719 nan 8.290 nan 0.000 0.599 131 L N 0.520 121.247 121.223 -0.827 0.000 2.264 131 L HA 0.627 4.967 4.340 0.001 0.000 0.289 131 L C -0.830 175.627 176.870 -0.687 0.000 1.044 131 L CA -0.621 53.879 54.840 -0.567 0.000 0.807 131 L CB 0.647 42.443 42.059 -0.439 0.000 1.192 131 L HN 0.661 nan 8.230 nan 0.000 0.425 132 W N 3.310 124.508 121.300 -0.171 0.000 2.647 132 W HA 0.733 5.393 4.660 0.001 0.000 0.353 132 W C 0.329 176.773 176.519 -0.125 0.000 1.080 132 W CA -0.434 56.813 57.345 -0.163 0.000 1.208 132 W CB 2.004 31.377 29.460 -0.144 0.000 1.396 132 W HN 0.527 nan 8.180 nan 0.000 0.573 133 G N -0.167 108.705 108.800 0.119 0.000 2.692 133 G HA2 0.641 4.601 3.960 0.001 0.000 0.291 133 G HA3 0.641 4.601 3.960 0.001 0.000 0.291 133 G C -2.363 172.550 174.900 0.022 0.000 1.423 133 G CA -0.803 44.321 45.100 0.040 0.000 0.843 133 G HN 0.310 nan 8.290 nan 0.000 0.486 134 V N 0.573 120.486 119.914 -0.001 0.000 2.525 134 V HA 0.661 4.782 4.120 0.001 0.000 0.299 134 V C 0.448 176.513 176.094 -0.048 0.000 1.034 134 V CA -0.738 61.546 62.300 -0.026 0.000 0.863 134 V CB 1.429 33.236 31.823 -0.027 0.000 0.999 134 V HN 1.266 nan 8.190 nan 0.000 0.423 135 A N 5.225 128.011 122.820 -0.057 0.000 2.396 135 A HA 0.563 4.883 4.320 0.001 0.000 0.279 135 A C 0.827 178.329 177.584 -0.137 0.000 1.165 135 A CA -0.091 51.904 52.037 -0.069 0.000 0.824 135 A CB 0.139 19.110 19.000 -0.049 0.000 1.100 135 A HN 0.909 nan 8.150 nan 0.000 0.516 136 L N 1.853 122.949 121.223 -0.212 0.000 2.145 136 L HA 0.109 4.450 4.340 0.001 0.000 0.201 136 L C -0.061 176.391 176.870 -0.697 0.000 1.075 136 L CA 0.850 55.382 54.840 -0.513 0.000 0.773 136 L CB -0.323 41.330 42.059 -0.676 0.000 0.936 136 L HN 0.744 nan 8.230 nan 0.000 0.451 137 Y N -1.055 119.222 120.300 -0.038 0.000 2.576 137 Y HA 0.640 5.191 4.550 0.001 0.000 0.346 137 Y C 0.379 176.255 175.900 -0.041 0.000 1.018 137 Y CA -1.130 56.939 58.100 -0.052 0.000 1.050 137 Y CB 1.537 39.948 38.460 -0.083 0.000 1.280 137 Y HN -0.199 nan 8.280 nan 0.000 0.474 138 G N 0.495 109.374 108.800 0.132 0.000 2.416 138 G HA2 0.509 4.470 3.960 0.001 0.000 0.329 138 G HA3 0.509 4.470 3.960 0.001 0.000 0.329 138 G C -1.737 173.190 174.900 0.045 0.000 1.173 138 G CA -0.722 44.415 45.100 0.062 0.000 0.929 138 G HN 0.534 nan 8.290 nan 0.000 0.475 139 V N 3.503 123.432 119.914 0.025 0.000 2.435 139 V HA 0.626 4.747 4.120 0.001 0.000 0.290 139 V C -0.468 175.628 176.094 0.003 0.000 1.030 139 V CA -0.852 61.452 62.300 0.006 0.000 0.881 139 V CB 1.170 32.994 31.823 0.002 0.000 0.983 139 V HN 0.551 nan 8.190 nan 0.000 0.445 140 L N 8.677 129.899 121.223 -0.002 0.000 2.387 140 L HA 0.412 4.752 4.340 0.001 0.000 0.259 140 L C -1.739 175.129 176.870 -0.004 0.000 1.050 140 L CA -1.563 53.277 54.840 -0.001 0.000 0.922 140 L CB 1.278 43.337 42.059 0.000 0.000 1.280 140 L HN 0.450 nan 8.230 nan 0.000 0.449 141 P HA -0.262 nan 4.420 nan 0.000 0.217 141 P C 1.744 179.042 177.300 -0.003 0.000 1.162 141 P CA 1.774 64.871 63.100 -0.004 0.000 0.901 141 P CB 0.192 31.890 31.700 -0.003 0.000 0.793 142 S N -1.197 114.502 115.700 -0.002 0.000 2.440 142 S HA -0.208 4.262 4.470 0.001 0.000 0.238 142 S C 1.686 176.285 174.600 -0.001 0.000 1.010 142 S CA 1.014 59.214 58.200 -0.001 0.000 0.972 142 S CB -1.059 62.140 63.200 -0.000 0.000 0.774 142 S HN 0.181 nan 8.310 nan 0.000 0.501 143 Q N 0.464 120.263 119.800 -0.002 0.000 2.360 143 Q HA 0.302 4.643 4.340 0.001 0.000 0.202 143 Q C 0.162 176.160 176.000 -0.002 0.000 0.915 143 Q CA -0.027 55.775 55.803 -0.001 0.000 0.943 143 Q CB -0.096 28.641 28.738 -0.001 0.000 1.064 143 Q HN 0.527 nan 8.270 nan 0.000 0.511 144 I N 1.863 122.430 120.570 -0.004 0.000 2.587 144 I HA -0.004 4.166 4.170 0.001 0.000 0.284 144 I C 0.534 176.650 176.117 -0.002 0.000 1.134 144 I CA -0.197 61.101 61.300 -0.004 0.000 1.410 144 I CB 0.171 38.167 38.000 -0.006 0.000 1.392 144 I HN -0.077 nan 8.210 nan 0.000 0.545 145 A N 7.865 130.684 122.820 -0.001 0.000 2.915 145 A HA 0.321 4.641 4.320 0.001 0.000 0.292 145 A C 0.539 178.123 177.584 -0.001 0.000 1.632 145 A CA -0.617 51.420 52.037 -0.000 0.000 1.337 145 A CB -0.624 18.377 19.000 0.001 0.000 1.111 145 A HN 0.678 nan 8.150 nan 0.000 0.569 146 K N 0.389 120.788 120.400 -0.002 0.000 2.148 146 K HA 0.506 4.826 4.320 0.001 0.000 0.239 146 K C -0.256 176.343 176.600 -0.002 0.000 1.018 146 K CA -0.613 55.673 56.287 -0.002 0.000 0.923 146 K CB 0.769 33.267 32.500 -0.003 0.000 1.117 146 K HN 0.228 nan 8.250 nan 0.000 0.477 147 D N -0.422 119.977 120.400 -0.002 0.000 2.277 147 D HA 0.017 4.657 4.640 0.001 0.000 0.209 147 D C -0.560 175.739 176.300 -0.002 0.000 0.970 147 D CA 0.843 54.842 54.000 -0.002 0.000 0.874 147 D CB 0.148 40.947 40.800 -0.003 0.000 0.982 147 D HN 0.488 nan 8.370 nan 0.000 0.504 148 D N -0.515 119.884 120.400 -0.002 0.000 2.591 148 D HA 0.130 4.770 4.640 0.001 0.000 0.222 148 D C -2.039 174.260 176.300 -0.002 0.000 1.360 148 D CA -1.285 52.714 54.000 -0.002 0.000 0.967 148 D CB 2.886 43.684 40.800 -0.002 0.000 1.456 148 D HN -0.290 nan 8.370 nan 0.000 0.588 149 P HA -0.190 nan 4.420 nan 0.000 0.219 149 P C 0.491 177.790 177.300 -0.002 0.000 1.149 149 P CA 1.172 64.271 63.100 -0.002 0.000 0.835 149 P CB 0.214 31.913 31.700 -0.002 0.000 0.778 150 N N -0.206 118.493 118.700 -0.002 0.000 3.254 150 N HA 0.090 4.830 4.740 0.001 0.000 0.308 150 N C 0.023 175.531 175.510 -0.003 0.000 1.281 150 N CA -0.214 52.835 53.050 -0.003 0.000 1.212 150 N CB -0.677 37.809 38.487 -0.002 0.000 1.478 150 N HN -0.031 nan 8.380 nan 0.000 0.548 151 M N 0.143 119.741 119.600 -0.003 0.000 2.691 151 M HA 0.527 5.007 4.480 0.001 0.000 0.293 151 M C -1.630 174.668 176.300 -0.004 0.000 1.259 151 M CA -0.946 54.352 55.300 -0.004 0.000 0.827 151 M CB 1.445 34.043 32.600 -0.004 0.000 1.753 151 M HN 0.127 nan 8.290 nan 0.000 0.465 152 M N 2.526 122.123 119.600 -0.005 0.000 2.027 152 M HA 0.510 4.990 4.480 0.001 0.000 0.329 152 M C -1.657 174.639 176.300 -0.006 0.000 0.971 152 M CA 0.203 55.500 55.300 -0.005 0.000 0.933 152 M CB 0.724 33.321 32.600 -0.006 0.000 1.392 152 M HN 0.661 nan 8.290 nan 0.000 0.394 153 S N 3.810 119.506 115.700 -0.007 0.000 2.601 153 S HA 0.663 5.134 4.470 0.001 0.000 0.271 153 S C -0.364 174.230 174.600 -0.010 0.000 1.305 153 S CA -0.755 57.440 58.200 -0.008 0.000 1.022 153 S CB 0.706 63.901 63.200 -0.009 0.000 0.940 153 S HN 0.564 nan 8.310 nan 0.000 0.525 154 K N 1.477 121.870 120.400 -0.011 0.000 2.435 154 K HA 0.552 4.872 4.320 0.001 0.000 0.251 154 K C -1.095 175.495 176.600 -0.018 0.000 0.954 154 K CA -0.458 55.821 56.287 -0.013 0.000 0.820 154 K CB 2.061 34.553 32.500 -0.012 0.000 1.292 154 K HN 0.488 nan 8.250 nan 0.000 0.436 155 I N 1.761 122.318 120.570 -0.023 0.000 2.389 155 I HA 0.246 4.417 4.170 0.001 0.000 0.288 155 I C -0.666 175.436 176.117 -0.025 0.000 0.999 155 I CA -1.079 60.199 61.300 -0.036 0.000 1.129 155 I CB 1.951 39.919 38.000 -0.054 0.000 1.288 155 I HN 0.057 nan 8.210 nan 0.000 0.444 156 V N 5.228 125.133 119.914 -0.016 0.000 2.350 156 V HA 0.360 4.480 4.120 0.001 0.000 0.285 156 V C -0.043 176.063 176.094 0.021 0.000 1.014 156 V CA -0.403 61.895 62.300 -0.004 0.000 0.831 156 V CB 1.467 33.290 31.823 0.000 0.000 1.000 156 V HN 0.705 nan 8.190 nan 0.000 0.433 157 T N 3.606 118.179 114.554 0.032 0.000 2.771 157 T HA 0.514 4.865 4.350 0.001 0.000 0.281 157 T C 0.067 174.843 174.700 0.126 0.000 0.982 157 T CA -0.357 61.801 62.100 0.096 0.000 0.978 157 T CB 1.351 70.300 68.868 0.135 0.000 0.930 157 T HN 0.599 nan 8.240 nan 0.000 0.447 158 S N 2.903 118.723 115.700 0.200 0.000 2.578 158 S HA 0.820 5.291 4.470 0.001 0.000 0.301 158 S C -0.668 174.246 174.600 0.522 0.000 1.091 158 S CA -0.858 57.518 58.200 0.292 0.000 1.032 158 S CB 0.949 64.304 63.200 0.258 0.000 1.064 158 S HN 0.504 nan 8.310 nan 0.000 0.508 159 L N 1.365 122.899 121.223 0.517 0.000 2.469 159 L HA 0.495 4.836 4.340 0.001 0.000 0.256 159 L C -2.870 173.965 176.870 -0.057 0.000 1.006 159 L CA -2.624 52.376 54.840 0.267 0.000 0.832 159 L CB 2.529 44.721 42.059 0.222 0.000 1.421 159 L HN 0.358 nan 8.230 nan 0.000 0.410 160 P HA 0.084 nan 4.420 nan 0.000 0.271 160 P C 0.024 177.251 177.300 -0.122 0.000 1.220 160 P CA 0.007 62.835 63.100 -0.453 0.000 0.768 160 P CB 1.147 32.519 31.700 -0.545 0.000 0.848 161 A N 3.767 126.582 122.820 -0.007 0.000 1.908 161 A HA -0.223 4.098 4.320 0.001 0.000 0.218 161 A C 1.708 179.279 177.584 -0.022 0.000 1.181 161 A CA 1.836 53.896 52.037 0.038 0.000 0.627 161 A CB -1.193 17.853 19.000 0.077 0.000 0.818 161 A HN 0.453 nan 8.150 nan 0.000 0.445 162 D N 0.242 120.619 120.400 -0.038 0.000 2.218 162 D HA -0.113 4.528 4.640 0.001 0.000 0.204 162 D C 1.101 177.363 176.300 -0.065 0.000 0.976 162 D CA 1.090 55.064 54.000 -0.044 0.000 0.853 162 D CB -0.374 40.402 40.800 -0.041 0.000 0.939 162 D HN 0.429 nan 8.370 nan 0.000 0.481 163 D N -0.392 119.954 120.400 -0.090 0.000 2.312 163 D HA -0.053 4.587 4.640 0.001 0.000 0.211 163 D C 1.734 177.972 176.300 -0.103 0.000 0.964 163 D CA 0.367 54.310 54.000 -0.094 0.000 0.877 163 D CB 0.442 41.174 40.800 -0.114 0.000 0.924 163 D HN 0.240 nan 8.370 nan 0.000 0.515 164 I N 0.112 120.609 120.570 -0.121 0.000 3.136 164 I HA -0.081 4.090 4.170 0.001 0.000 0.262 164 I C 1.037 177.079 176.117 -0.126 0.000 1.132 164 I CA 0.398 61.593 61.300 -0.175 0.000 1.450 164 I CB -0.337 37.463 38.000 -0.333 0.000 1.315 164 I HN -0.146 nan 8.210 nan 0.000 0.460 165 T N 0.100 114.603 114.554 -0.086 0.000 2.937 165 T HA -0.046 4.304 4.350 0.001 0.000 0.316 165 T C 1.104 175.778 174.700 -0.043 0.000 1.079 165 T CA 0.058 62.127 62.100 -0.052 0.000 1.131 165 T CB 0.489 69.343 68.868 -0.023 0.000 1.000 165 T HN 0.541 nan 8.240 nan 0.000 0.549 166 E N 1.349 121.530 120.200 -0.032 0.000 2.347 166 E HA 0.030 4.381 4.350 0.001 0.000 0.196 166 E C 0.136 176.725 176.600 -0.018 0.000 1.008 166 E CA 0.116 56.501 56.400 -0.024 0.000 0.852 166 E CB 0.209 29.900 29.700 -0.015 0.000 0.783 166 E HN 0.485 nan 8.360 nan 0.000 0.505 167 S N 1.149 116.839 115.700 -0.015 0.000 2.548 167 S HA 0.368 4.838 4.470 0.001 0.000 0.276 167 S C -2.720 171.875 174.600 -0.009 0.000 1.129 167 S CA -1.426 56.767 58.200 -0.011 0.000 0.931 167 S CB 1.869 65.066 63.200 -0.006 0.000 1.068 167 S HN -0.042 nan 8.310 nan 0.000 0.480 168 P HA -0.029 nan 4.420 nan 0.000 0.259 168 P C 0.979 178.280 177.300 0.003 0.000 1.163 168 P CA 0.230 63.328 63.100 -0.005 0.000 0.760 168 P CB 0.397 32.094 31.700 -0.005 0.000 0.762 169 V N 3.782 123.701 119.914 0.008 0.000 2.469 169 V HA -0.266 3.854 4.120 0.001 0.000 0.251 169 V C 1.980 178.084 176.094 0.018 0.000 1.064 169 V CA 2.774 65.084 62.300 0.016 0.000 1.066 169 V CB -0.976 30.864 31.823 0.029 0.000 0.667 169 V HN 0.714 nan 8.190 nan 0.000 0.461 170 S N 0.934 116.644 115.700 0.017 0.000 2.382 170 S HA -0.145 4.325 4.470 0.001 0.000 0.228 170 S C 1.614 176.222 174.600 0.013 0.000 1.027 170 S CA 1.323 59.534 58.200 0.017 0.000 0.991 170 S CB -0.956 62.252 63.200 0.014 0.000 0.823 170 S HN 1.026 nan 8.310 nan 0.000 0.469 171 S N 1.170 116.875 115.700 0.008 0.000 3.324 171 S HA 0.553 5.023 4.470 0.001 0.000 0.229 171 S C -0.472 174.132 174.600 0.007 0.000 1.417 171 S CA -0.797 57.407 58.200 0.006 0.000 1.211 171 S CB -0.665 62.537 63.200 0.003 0.000 1.157 171 S HN 0.458 nan 8.310 nan 0.000 0.491 172 L N 1.055 122.283 121.223 0.009 0.000 2.436 172 L HA 0.630 4.971 4.340 0.001 0.000 0.268 172 L C -2.828 174.048 176.870 0.009 0.000 0.974 172 L CA -1.851 52.994 54.840 0.009 0.000 0.826 172 L CB 1.481 43.546 42.059 0.010 0.000 1.291 172 L HN 0.034 nan 8.230 nan 0.000 0.406 173 P HA 0.011 nan 4.420 nan 0.000 0.262 173 P C 0.520 177.826 177.300 0.009 0.000 1.182 173 P CA -0.130 62.975 63.100 0.008 0.000 0.761 173 P CB 0.515 32.219 31.700 0.007 0.000 0.795 174 L N 3.339 124.568 121.223 0.010 0.000 2.549 174 L HA -0.122 4.219 4.340 0.001 0.000 0.230 174 L C 1.082 177.957 176.870 0.007 0.000 1.162 174 L CA 1.760 56.606 54.840 0.010 0.000 0.834 174 L CB -0.699 41.367 42.059 0.013 0.000 0.947 174 L HN 0.359 nan 8.230 nan 0.000 0.452 175 D N -2.350 118.054 120.400 0.007 0.000 2.368 175 D HA -0.003 4.637 4.640 0.001 0.000 0.218 175 D C 0.311 176.614 176.300 0.005 0.000 1.112 175 D CA -0.109 53.894 54.000 0.006 0.000 0.834 175 D CB -0.111 40.693 40.800 0.006 0.000 0.953 175 D HN 0.044 nan 8.370 nan 0.000 0.505 176 K N 0.620 121.023 120.400 0.005 0.000 2.249 176 K HA 0.453 4.774 4.320 0.001 0.000 0.280 176 K C 0.558 177.159 176.600 0.002 0.000 1.033 176 K CA -0.134 56.156 56.287 0.005 0.000 0.946 176 K CB 1.816 34.320 32.500 0.006 0.000 1.005 176 K HN 0.095 nan 8.250 nan 0.000 0.469 177 A N 2.077 124.899 122.820 0.003 0.000 2.169 177 A HA 0.043 4.363 4.320 0.001 0.000 0.210 177 A C 0.710 178.296 177.584 0.004 0.000 1.168 177 A CA 0.897 52.934 52.037 0.001 0.000 0.813 177 A CB 0.128 19.129 19.000 0.001 0.000 0.861 177 A HN 0.751 nan 8.150 nan 0.000 0.481 178 T N -4.379 110.180 114.554 0.007 0.000 2.812 178 T HA 0.625 4.976 4.350 0.001 0.000 0.294 178 T C -1.040 173.669 174.700 0.014 0.000 1.159 178 T CA -0.289 61.818 62.100 0.012 0.000 1.008 178 T CB 1.464 70.340 68.868 0.013 0.000 1.289 178 T HN 0.904 nan 8.240 nan 0.000 0.514 179 V N 0.246 120.171 119.914 0.018 0.000 3.048 179 V HA 0.503 4.624 4.120 0.001 0.000 0.303 179 V C -1.274 174.827 176.094 0.012 0.000 1.214 179 V CA -1.032 61.277 62.300 0.015 0.000 0.984 179 V CB 2.095 33.928 31.823 0.017 0.000 1.054 179 V HN 1.096 nan 8.190 nan 0.000 0.430 180 N N 2.469 121.172 118.700 0.005 0.000 2.508 180 N HA 0.606 5.347 4.740 0.001 0.000 0.264 180 N C -0.767 174.735 175.510 -0.014 0.000 1.216 180 N CA 0.004 53.053 53.050 -0.001 0.000 0.943 180 N CB 1.627 40.114 38.487 0.001 0.000 1.113 180 N HN 0.727 nan 8.380 nan 0.000 0.447 181 V N -0.718 119.180 119.914 -0.026 0.000 3.007 181 V HA 0.422 4.543 4.120 0.001 0.000 0.311 181 V C -0.156 175.902 176.094 -0.060 0.000 1.120 181 V CA -0.853 61.411 62.300 -0.060 0.000 0.980 181 V CB 2.163 33.926 31.823 -0.100 0.000 1.033 181 V HN 0.557 nan 8.190 nan 0.000 0.429 182 N N 0.910 119.566 118.700 -0.074 0.000 2.392 182 N HA 0.330 5.070 4.740 0.001 0.000 0.177 182 N C -0.087 175.381 175.510 -0.070 0.000 1.066 182 N CA 1.050 54.066 53.050 -0.056 0.000 0.895 182 N CB 1.114 39.572 38.487 -0.048 0.000 0.988 182 N HN 0.686 nan 8.380 nan 0.000 0.457 183 V N -0.214 119.629 119.914 -0.119 0.000 3.012 183 V HA 0.532 4.652 4.120 0.001 0.000 0.307 183 V C -1.688 174.276 176.094 -0.217 0.000 1.166 183 V CA -0.806 61.418 62.300 -0.127 0.000 0.974 183 V CB 2.090 33.846 31.823 -0.112 0.000 1.040 183 V HN -0.065 nan 8.190 nan 0.000 0.428 184 R N 3.219 123.635 120.500 -0.141 0.000 2.837 184 R HA 0.734 5.075 4.340 0.001 0.000 0.271 184 R C -1.741 174.572 176.300 0.022 0.000 0.993 184 R CA -0.804 55.231 56.100 -0.109 0.000 0.931 184 R CB 2.523 32.826 30.300 0.005 0.000 1.206 184 R HN 0.535 nan 8.270 nan 0.000 0.474 185 V N 3.256 123.283 119.914 0.188 0.000 2.328 185 V HA 0.325 4.445 4.120 0.001 0.000 0.278 185 V C 0.041 176.225 176.094 0.150 0.000 1.021 185 V CA -0.491 61.920 62.300 0.185 0.000 0.838 185 V CB 1.279 33.271 31.823 0.282 0.000 0.999 185 V HN 0.561 nan 8.190 nan 0.000 0.447 186 V N 1.951 121.914 119.914 0.082 0.000 3.074 186 V HA 0.739 4.860 4.120 0.001 0.000 0.314 186 V C -0.648 175.468 176.094 0.036 0.000 1.117 186 V CA -0.960 61.372 62.300 0.053 0.000 1.014 186 V CB 2.381 34.218 31.823 0.024 0.000 1.057 186 V HN 0.807 nan 8.190 nan 0.000 0.438 187 D N 0.770 121.185 120.400 0.024 0.000 2.198 187 D HA 0.461 5.101 4.640 0.001 0.000 0.245 187 D C -1.317 174.985 176.300 0.003 0.000 1.079 187 D CA 0.030 54.041 54.000 0.018 0.000 0.854 187 D CB 2.159 42.968 40.800 0.016 0.000 1.148 187 D HN 0.657 nan 8.370 nan 0.000 0.456 188 D N 1.547 121.946 120.400 -0.001 0.000 2.732 188 D HA 0.384 5.024 4.640 0.001 0.000 0.229 188 D C -1.341 174.954 176.300 -0.009 0.000 1.152 188 D CA -0.765 53.227 54.000 -0.014 0.000 0.854 188 D CB 2.398 43.179 40.800 -0.032 0.000 1.590 188 D HN 0.139 nan 8.370 nan 0.000 0.468 189 V N 4.664 124.572 119.914 -0.009 0.000 2.384 189 V HA 0.389 4.510 4.120 0.001 0.000 0.287 189 V C 0.851 176.941 176.094 -0.007 0.000 1.020 189 V CA -0.522 61.776 62.300 -0.004 0.000 0.850 189 V CB 1.647 33.471 31.823 0.003 0.000 0.987 189 V HN 0.490 nan 8.190 nan 0.000 0.436 190 K N 1.508 121.903 120.400 -0.008 0.000 2.313 190 K HA 0.295 4.615 4.320 0.001 0.000 0.215 190 K C -0.028 176.570 176.600 -0.004 0.000 1.109 190 K CA 0.425 56.706 56.287 -0.011 0.000 0.895 190 K CB 0.512 33.001 32.500 -0.018 0.000 1.234 190 K HN 0.553 nan 8.250 nan 0.000 0.463 191 D N 1.921 122.319 120.400 -0.004 0.000 2.634 191 D HA 0.087 4.728 4.640 0.001 0.000 0.318 191 D C -0.746 175.553 176.300 -0.000 0.000 1.226 191 D CA 0.058 54.057 54.000 -0.002 0.000 0.899 191 D CB 1.168 41.966 40.800 -0.004 0.000 1.025 191 D HN 0.123 nan 8.370 nan 0.000 0.501 192 E N 1.253 121.454 120.200 0.001 0.000 2.868 192 E HA -0.232 4.119 4.350 0.001 0.000 0.278 192 E C -0.581 176.020 176.600 0.001 0.000 1.009 192 E CA 0.668 57.069 56.400 0.002 0.000 0.856 192 E CB -0.787 28.914 29.700 0.001 0.000 1.428 192 E HN 0.460 nan 8.360 nan 0.000 0.423 193 R N 0.501 121.002 120.500 0.001 0.000 2.584 193 R HA 0.306 4.646 4.340 0.001 0.000 0.276 193 R C -1.161 175.141 176.300 0.003 0.000 1.046 193 R CA -0.634 55.467 56.100 0.002 0.000 0.906 193 R CB 1.283 31.584 30.300 0.002 0.000 1.215 193 R HN 0.191 nan 8.270 nan 0.000 0.449 194 Q N 3.183 122.986 119.800 0.005 0.000 2.267 194 Q HA 0.212 4.553 4.340 0.001 0.000 0.255 194 Q C -1.163 174.845 176.000 0.013 0.000 0.923 194 Q CA -0.339 55.468 55.803 0.007 0.000 0.925 194 Q CB 0.897 29.639 28.738 0.006 0.000 1.195 194 Q HN 0.717 nan 8.270 nan 0.000 0.417 195 N N 2.946 121.655 118.700 0.015 0.000 2.405 195 N HA 0.447 5.188 4.740 0.001 0.000 0.285 195 N C -1.402 174.133 175.510 0.041 0.000 1.262 195 N CA -0.773 52.294 53.050 0.029 0.000 0.773 195 N CB 1.013 39.509 38.487 0.014 0.000 1.490 195 N HN 0.377 nan 8.380 nan 0.000 0.486 196 I N 1.224 121.842 120.570 0.080 0.000 2.312 196 I HA 0.408 4.578 4.170 0.001 0.000 0.290 196 I C -0.325 175.833 176.117 0.068 0.000 1.008 196 I CA -0.320 61.043 61.300 0.104 0.000 1.226 196 I CB 0.123 38.244 38.000 0.201 0.000 1.371 196 I HN 0.605 nan 8.210 nan 0.000 0.468 197 S N 5.217 120.941 115.700 0.039 0.000 2.671 197 S HA 0.770 5.241 4.470 0.001 0.000 0.299 197 S C -0.270 174.342 174.600 0.021 0.000 1.116 197 S CA -0.783 57.420 58.200 0.005 0.000 0.912 197 S CB 2.733 65.925 63.200 -0.013 0.000 1.130 197 S HN 0.397 nan 8.310 nan 0.000 0.501 198 V N -0.110 119.806 119.914 0.004 0.000 2.483 198 V HA 0.955 5.075 4.120 0.001 0.000 0.295 198 V C -0.205 175.891 176.094 0.003 0.000 1.035 198 V CA -0.818 61.488 62.300 0.010 0.000 0.896 198 V CB 0.743 32.568 31.823 0.004 0.000 0.986 198 V HN 0.836 nan 8.190 nan 0.000 0.447 199 V N 0.719 120.629 119.914 -0.005 0.000 2.962 199 V HA 1.023 5.143 4.120 0.001 0.000 0.313 199 V C -0.318 175.771 176.094 -0.008 0.000 1.099 199 V CA -0.109 62.187 62.300 -0.008 0.000 0.971 199 V CB 1.500 33.297 31.823 -0.044 0.000 1.028 199 V HN 1.406 nan 8.190 nan 0.000 0.430 200 S N 0.624 116.338 115.700 0.023 0.000 2.636 200 S HA 0.796 5.267 4.470 0.001 0.000 0.266 200 S C 0.305 174.944 174.600 0.065 0.000 1.147 200 S CA 0.653 58.868 58.200 0.025 0.000 0.815 200 S CB 1.230 64.456 63.200 0.042 0.000 1.119 200 S HN 2.830 nan 8.310 nan 0.000 0.470 201 G N -0.273 108.552 108.800 0.042 0.000 2.205 201 G HA2 -0.029 3.931 3.960 0.001 0.000 0.180 201 G HA3 -0.029 3.931 3.960 0.001 0.000 0.180 201 G C -0.460 174.341 174.900 -0.164 0.000 1.004 201 G CA 0.203 45.334 45.100 0.051 0.000 0.670 201 G HN 1.278 nan 8.290 nan 0.000 0.496 202 V N 0.576 120.400 119.914 -0.150 0.000 3.147 202 V HA 0.624 4.745 4.120 0.001 0.000 0.306 202 V C -2.305 173.779 176.094 -0.017 0.000 1.209 202 V CA -1.503 60.694 62.300 -0.172 0.000 1.023 202 V CB 2.436 34.051 31.823 -0.347 0.000 1.059 202 V HN 0.090 nan 8.190 nan 0.000 0.435 203 P HA 0.438 nan 4.420 nan 0.000 0.268 203 P C -0.911 176.394 177.300 0.009 0.000 1.204 203 P CA 0.223 63.351 63.100 0.047 0.000 0.768 203 P CB 0.300 32.045 31.700 0.075 0.000 0.842 204 M N 0.892 120.491 119.600 -0.000 0.000 2.569 204 M HA 0.458 4.939 4.480 0.001 0.000 0.279 204 M C -0.496 175.803 176.300 -0.002 0.000 1.253 204 M CA -0.538 54.757 55.300 -0.009 0.000 0.867 204 M CB 2.623 35.208 32.600 -0.025 0.000 1.727 204 M HN 0.133 nan 8.290 nan 0.000 0.467 205 S N 0.120 115.823 115.700 0.006 0.000 2.570 205 S HA 0.788 5.259 4.470 0.001 0.000 0.286 205 S C -1.761 172.856 174.600 0.029 0.000 1.099 205 S CA -0.482 57.727 58.200 0.014 0.000 0.913 205 S CB 1.670 64.878 63.200 0.014 0.000 1.085 205 S HN 0.820 nan 8.310 nan 0.000 0.480 206 C N 3.467 122.791 119.300 0.041 0.000 2.802 206 C HA 0.722 5.183 4.460 0.001 0.000 0.307 206 C C -2.625 172.395 174.990 0.051 0.000 1.222 206 C CA -1.338 57.722 59.018 0.070 0.000 1.580 206 C CB 1.653 29.473 27.740 0.133 0.000 2.119 206 C HN 0.663 nan 8.230 nan 0.000 0.479 207 P HA 0.278 nan 4.420 nan 0.000 0.279 207 P C -1.223 176.087 177.300 0.017 0.000 1.239 207 P CA -0.146 62.966 63.100 0.020 0.000 0.789 207 P CB 0.552 32.257 31.700 0.008 0.000 0.933 208 V N 4.487 124.404 119.914 0.005 0.000 2.328 208 V HA 0.190 4.311 4.120 0.001 0.000 0.278 208 V C 0.133 176.211 176.094 -0.028 0.000 1.021 208 V CA -0.457 61.839 62.300 -0.006 0.000 0.838 208 V CB 1.379 33.200 31.823 -0.002 0.000 0.999 208 V HN 0.238 nan 8.190 nan 0.000 0.447 209 V N 4.096 123.978 119.914 -0.052 0.000 2.427 209 V HA 0.394 4.515 4.120 0.001 0.000 0.286 209 V C -0.217 175.811 176.094 -0.110 0.000 1.034 209 V CA -0.740 61.517 62.300 -0.072 0.000 0.893 209 V CB 1.865 33.638 31.823 -0.083 0.000 0.982 209 V HN 0.749 nan 8.190 nan 0.000 0.452 210 D N 3.837 124.183 120.400 -0.089 0.000 2.295 210 D HA 0.509 5.149 4.640 0.001 0.000 0.248 210 D C 0.300 176.524 176.300 -0.127 0.000 1.154 210 D CA 0.186 54.123 54.000 -0.104 0.000 0.857 210 D CB 1.747 42.518 40.800 -0.048 0.000 1.117 210 D HN 0.736 nan 8.370 nan 0.000 0.468 211 A N 3.406 126.086 122.820 -0.232 0.000 2.371 211 A HA 0.387 4.707 4.320 0.001 0.000 0.257 211 A C 0.323 177.921 177.584 0.023 0.000 1.089 211 A CA -0.288 51.631 52.037 -0.196 0.000 0.794 211 A CB 0.531 19.206 19.000 -0.542 0.000 1.029 211 A HN 0.452 nan 8.150 nan 0.000 0.488 212 K N 1.952 122.429 120.400 0.127 0.000 2.208 212 K HA 0.529 4.850 4.320 0.001 0.000 0.247 212 K C -2.818 173.945 176.600 0.272 0.000 0.953 212 K CA -1.808 54.586 56.287 0.178 0.000 0.837 212 K CB 1.398 33.946 32.500 0.080 0.000 1.131 212 K HN 0.382 nan 8.250 nan 0.000 0.431 213 P HA 0.138 nan 4.420 nan 0.000 0.272 213 P C -0.804 176.429 177.300 -0.112 0.000 1.240 213 P CA -0.246 62.823 63.100 -0.052 0.000 0.791 213 P CB 0.763 32.465 31.700 0.003 0.000 0.978 214 T N 0.196 114.614 114.554 -0.228 0.000 2.865 214 T HA 0.156 4.507 4.350 0.001 0.000 0.294 214 T C 0.901 175.518 174.700 -0.138 0.000 1.119 214 T CA -0.494 61.518 62.100 -0.146 0.000 1.007 214 T CB 1.350 70.129 68.868 -0.147 0.000 1.225 214 T HN 0.255 nan 8.240 nan 0.000 0.515 215 E N 0.929 121.077 120.200 -0.088 0.000 2.118 215 E HA -0.067 4.284 4.350 0.001 0.000 0.195 215 E C 0.403 176.952 176.600 -0.084 0.000 0.992 215 E CA 1.041 57.398 56.400 -0.071 0.000 0.804 215 E CB 0.033 29.705 29.700 -0.048 0.000 0.741 215 E HN 0.367 nan 8.360 nan 0.000 0.458 216 R N 1.611 122.053 120.500 -0.096 0.000 2.296 216 R HA 0.182 4.522 4.340 0.001 0.000 0.323 216 R C -2.312 173.903 176.300 -0.142 0.000 1.067 216 R CA -1.516 54.528 56.100 -0.093 0.000 0.946 216 R CB 0.118 30.373 30.300 -0.075 0.000 0.991 216 R HN -0.069 nan 8.270 nan 0.000 0.448 217 P HA -0.004 nan 4.420 nan 0.000 0.269 217 P C 0.744 177.982 177.300 -0.103 0.000 1.209 217 P CA 0.633 63.662 63.100 -0.117 0.000 0.776 217 P CB 0.876 32.547 31.700 -0.048 0.000 0.876 218 G N 0.737 109.478 108.800 -0.098 0.000 2.245 218 G HA2 -0.228 3.733 3.960 0.001 0.000 0.264 218 G HA3 -0.228 3.733 3.960 0.001 0.000 0.264 218 G C -0.001 174.894 174.900 -0.009 0.000 0.985 218 G CA 0.129 45.263 45.100 0.058 0.000 0.625 218 G HN 0.533 nan 8.290 nan 0.000 0.536 219 V N 1.450 121.226 119.914 -0.229 0.000 2.347 219 V HA 0.728 4.848 4.120 0.001 0.000 0.280 219 V C -0.093 175.792 176.094 -0.348 0.000 1.021 219 V CA -0.576 61.635 62.300 -0.149 0.000 0.847 219 V CB 0.830 32.591 31.823 -0.104 0.000 0.990 219 V HN 0.230 nan 8.190 nan 0.000 0.444 220 F N 1.970 121.951 119.950 0.052 0.000 2.556 220 F HA 0.728 5.256 4.527 0.001 0.000 0.327 220 F C 0.631 176.440 175.800 0.015 0.000 1.059 220 F CA -0.711 57.326 58.000 0.062 0.000 0.953 220 F CB 2.309 41.405 39.000 0.160 0.000 1.227 220 F HN 0.466 nan 8.300 nan 0.000 0.478 221 T N -0.351 114.308 114.554 0.175 0.000 2.829 221 T HA 0.881 5.232 4.350 0.001 0.000 0.280 221 T C -0.914 173.804 174.700 0.029 0.000 0.999 221 T CA -0.784 61.358 62.100 0.071 0.000 0.983 221 T CB 1.617 70.505 68.868 0.033 0.000 0.968 221 T HN 0.909 nan 8.240 nan 0.000 0.446 222 A N 2.013 124.825 122.820 -0.013 0.000 2.398 222 A HA 0.721 5.041 4.320 0.001 0.000 0.301 222 A C -0.300 177.258 177.584 -0.044 0.000 1.041 222 A CA -0.921 51.081 52.037 -0.058 0.000 0.711 222 A CB 1.629 20.557 19.000 -0.119 0.000 1.240 222 A HN 0.788 nan 8.150 nan 0.000 0.420 223 S N 2.252 117.927 115.700 -0.042 0.000 2.520 223 S HA 0.517 4.987 4.470 0.001 0.000 0.324 223 S C -0.273 174.304 174.600 -0.038 0.000 1.069 223 S CA -0.231 57.950 58.200 -0.033 0.000 1.121 223 S CB 0.136 63.323 63.200 -0.022 0.000 0.971 223 S HN 0.542 nan 8.310 nan 0.000 0.463 224 I N 4.086 124.633 120.570 -0.039 0.000 2.385 224 I HA 0.269 4.439 4.170 0.001 0.000 0.294 224 I C -1.407 174.694 176.117 -0.028 0.000 0.988 224 I CA -2.382 58.895 61.300 -0.040 0.000 1.265 224 I CB 1.160 39.129 38.000 -0.052 0.000 1.388 224 I HN 0.343 nan 8.210 nan 0.000 0.480 225 P HA -0.262 nan 4.420 nan 0.000 0.245 225 P C 0.852 178.144 177.300 -0.014 0.000 0.778 225 P CA 1.456 64.547 63.100 -0.015 0.000 1.113 225 P CB -0.048 31.645 31.700 -0.012 0.000 0.760 226 G N -1.835 106.957 108.800 -0.014 0.000 3.782 226 G HA2 0.506 4.467 3.960 0.001 0.000 0.288 226 G HA3 0.506 4.467 3.960 0.001 0.000 0.288 226 G C -0.277 174.614 174.900 -0.014 0.000 1.300 226 G CA 0.527 45.620 45.100 -0.012 0.000 1.261 226 G HN 0.577 nan 8.290 nan 0.000 0.591 227 A N 0.400 123.209 122.820 -0.018 0.000 2.469 227 A HA 0.916 5.237 4.320 0.001 0.000 0.299 227 A C -2.731 174.842 177.584 -0.018 0.000 1.098 227 A CA -1.433 50.592 52.037 -0.020 0.000 0.737 227 A CB 1.423 20.406 19.000 -0.028 0.000 1.312 227 A HN 0.156 nan 8.150 nan 0.000 0.414 228 P HA 0.188 nan 4.420 nan 0.000 0.269 228 P C -0.009 177.281 177.300 -0.016 0.000 1.217 228 P CA -0.196 62.896 63.100 -0.014 0.000 0.783 228 P CB 0.442 32.135 31.700 -0.012 0.000 0.898 229 V N 3.166 123.072 119.914 -0.013 0.000 2.673 229 V HA -0.000 4.120 4.120 0.001 0.000 0.303 229 V C -0.217 175.870 176.094 -0.011 0.000 1.046 229 V CA 0.080 62.372 62.300 -0.013 0.000 1.126 229 V CB -0.149 31.669 31.823 -0.009 0.000 0.934 229 V HN 0.209 nan 8.190 nan 0.000 0.487 230 L N 6.755 127.971 121.223 -0.013 0.000 2.289 230 L HA 0.494 4.834 4.340 0.001 0.000 0.285 230 L C 0.393 177.271 176.870 0.013 0.000 1.049 230 L CA 0.258 55.094 54.840 -0.006 0.000 0.804 230 L CB 1.299 43.346 42.059 -0.020 0.000 1.195 230 L HN 0.647 nan 8.230 nan 0.000 0.428 231 N N 5.479 124.192 118.700 0.022 0.000 3.044 231 N HA 0.318 5.059 4.740 0.001 0.000 0.254 231 N C -0.419 175.129 175.510 0.063 0.000 1.253 231 N CA -0.189 52.884 53.050 0.038 0.000 0.944 231 N CB 0.688 39.186 38.487 0.018 0.000 1.217 231 N HN 0.471 nan 8.380 nan 0.000 0.498 232 I N 0.254 120.888 120.570 0.106 0.000 2.634 232 I HA 0.126 4.297 4.170 0.001 0.000 0.284 232 I C 0.843 177.078 176.117 0.197 0.000 1.124 232 I CA 0.155 61.543 61.300 0.146 0.000 1.417 232 I CB 0.837 38.948 38.000 0.184 0.000 1.396 232 I HN 0.130 nan 8.210 nan 0.000 0.571 233 S N 4.829 120.603 115.700 0.124 0.000 2.614 233 S HA 0.645 5.115 4.470 0.001 0.000 0.275 233 S C -1.100 173.515 174.600 0.025 0.000 1.161 233 S CA -0.550 57.699 58.200 0.081 0.000 0.969 233 S CB 1.348 64.577 63.200 0.049 0.000 1.059 233 S HN 0.334 nan 8.310 nan 0.000 0.482 234 V N 5.223 125.131 119.914 -0.010 0.000 2.588 234 V HA 0.628 4.749 4.120 0.001 0.000 0.304 234 V C -0.454 175.694 176.094 0.089 0.000 1.042 234 V CA -0.934 61.376 62.300 0.017 0.000 0.877 234 V CB 1.948 33.792 31.823 0.036 0.000 0.996 234 V HN 0.864 nan 8.190 nan 0.000 0.425 235 N N 3.514 122.231 118.700 0.029 0.000 2.346 235 N HA 0.214 4.954 4.740 0.001 0.000 0.289 235 N C 0.949 176.465 175.510 0.009 0.000 1.027 235 N CA -0.437 52.629 53.050 0.027 0.000 0.864 235 N CB 1.889 40.379 38.487 0.004 0.000 1.370 235 N HN 0.781 nan 8.380 nan 0.000 0.481 236 N N 1.773 120.479 118.700 0.009 0.000 2.132 236 N HA -0.163 4.577 4.740 0.001 0.000 0.191 236 N C -0.015 175.500 175.510 0.008 0.000 1.015 236 N CA 0.999 54.054 53.050 0.008 0.000 0.864 236 N CB 0.015 38.494 38.487 -0.012 0.000 1.006 236 N HN 0.340 nan 8.380 nan 0.000 0.430 237 S N -0.374 115.324 115.700 -0.003 0.000 2.653 237 S HA 0.434 4.905 4.470 0.001 0.000 0.268 237 S C -1.012 173.578 174.600 -0.016 0.000 1.153 237 S CA -0.622 57.574 58.200 -0.007 0.000 1.036 237 S CB 0.737 63.935 63.200 -0.003 0.000 1.103 237 S HN 0.527 nan 8.310 nan 0.000 0.466 238 T N 2.452 116.990 114.554 -0.027 0.000 2.792 238 T HA 0.717 5.067 4.350 0.001 0.000 0.303 238 T C -3.153 171.518 174.700 -0.047 0.000 1.310 238 T CA -1.372 60.707 62.100 -0.036 0.000 1.007 238 T CB 0.441 69.284 68.868 -0.042 0.000 1.335 238 T HN 0.354 nan 8.240 nan 0.000 0.504 239 P HA 0.573 nan 4.420 nan 0.000 0.272 239 P C -1.182 176.063 177.300 -0.092 0.000 1.254 239 P CA -0.472 62.591 63.100 -0.061 0.000 0.795 239 P CB 0.126 31.791 31.700 -0.058 0.000 1.022 240 A N 0.045 122.800 122.820 -0.109 0.000 2.486 240 A HA 0.485 4.805 4.320 0.001 0.000 0.300 240 A C -0.813 176.644 177.584 -0.213 0.000 1.048 240 A CA -0.697 51.236 52.037 -0.174 0.000 0.696 240 A CB 0.931 19.843 19.000 -0.147 0.000 1.278 240 A HN 0.290 nan 8.150 nan 0.000 0.405 241 V N 2.986 122.686 119.914 -0.356 0.000 2.694 241 V HA -0.018 4.102 4.120 0.001 0.000 0.306 241 V C 0.944 176.882 176.094 -0.261 0.000 1.054 241 V CA 0.592 62.681 62.300 -0.351 0.000 1.161 241 V CB 0.880 32.370 31.823 -0.555 0.000 0.916 241 V HN 0.965 nan 8.190 nan 0.000 0.490 242 Q N 1.835 121.582 119.800 -0.089 0.000 2.384 242 Q HA 0.117 4.457 4.340 0.001 0.000 0.207 242 Q C 0.873 176.934 176.000 0.101 0.000 0.904 242 Q CA 0.447 56.256 55.803 0.010 0.000 0.933 242 Q CB 0.883 29.625 28.738 0.007 0.000 1.077 242 Q HN 0.897 nan 8.270 nan 0.000 0.522 243 T N -1.229 113.400 114.554 0.126 0.000 2.912 243 T HA 0.527 4.877 4.350 0.001 0.000 0.299 243 T C -0.445 174.421 174.700 0.275 0.000 1.052 243 T CA -0.675 61.531 62.100 0.176 0.000 0.996 243 T CB 1.040 69.963 68.868 0.093 0.000 1.070 243 T HN -0.007 nan 8.240 nan 0.000 0.465 244 L N 3.348 124.687 121.223 0.193 0.000 2.483 244 L HA 0.300 4.641 4.340 0.001 0.000 0.276 244 L C 1.056 177.971 176.870 0.075 0.000 1.213 244 L CA -0.406 54.476 54.840 0.071 0.000 0.843 244 L CB 0.684 42.694 42.059 -0.082 0.000 1.107 244 L HN 0.722 nan 8.230 nan 0.000 0.487 245 S N 2.534 118.269 115.700 0.058 0.000 2.603 245 S HA 0.253 4.724 4.470 0.001 0.000 0.268 245 S C -2.201 172.401 174.600 0.003 0.000 1.317 245 S CA -0.973 57.251 58.200 0.041 0.000 1.012 245 S CB 0.792 64.017 63.200 0.042 0.000 0.926 245 S HN 0.413 nan 8.310 nan 0.000 0.539 246 P HA 0.235 nan 4.420 nan 0.000 0.264 246 P C 0.822 178.116 177.300 -0.010 0.000 1.193 246 P CA 0.879 63.979 63.100 0.000 0.000 0.763 246 P CB 0.262 31.965 31.700 0.004 0.000 0.810 247 G N 1.588 110.380 108.800 -0.013 0.000 2.255 247 G HA2 -0.087 3.873 3.960 0.001 0.000 0.196 247 G HA3 -0.087 3.873 3.960 0.001 0.000 0.196 247 G C -0.213 174.669 174.900 -0.030 0.000 0.998 247 G CA 0.040 45.129 45.100 -0.018 0.000 0.656 247 G HN 0.736 nan 8.290 nan 0.000 0.490 248 V N -0.459 119.427 119.914 -0.045 0.000 2.668 248 V HA 0.934 5.055 4.120 0.001 0.000 0.304 248 V C -0.365 175.708 176.094 -0.036 0.000 1.071 248 V CA 0.309 62.569 62.300 -0.067 0.000 0.894 248 V CB 1.439 33.153 31.823 -0.182 0.000 1.008 248 V HN 1.296 nan 8.190 nan 0.000 0.425 249 T N 0.937 115.508 114.554 0.028 0.000 2.893 249 T HA 0.525 4.875 4.350 0.001 0.000 0.291 249 T C 0.287 175.071 174.700 0.140 0.000 1.028 249 T CA -0.090 62.046 62.100 0.060 0.000 0.995 249 T CB 1.718 70.608 68.868 0.037 0.000 1.051 249 T HN 0.966 nan 8.240 nan 0.000 0.470 250 N N 0.731 119.513 118.700 0.137 0.000 2.322 250 N HA 0.041 4.781 4.740 0.001 0.000 0.194 250 N C -0.273 175.249 175.510 0.020 0.000 1.126 250 N CA -0.484 52.632 53.050 0.110 0.000 0.845 250 N CB -0.219 38.337 38.487 0.114 0.000 0.976 250 N HN 0.425 nan 8.380 nan 0.000 0.475 251 N N 1.293 120.009 118.700 0.026 0.000 2.605 251 N HA 0.079 4.819 4.740 0.001 0.000 0.258 251 N C -0.399 175.109 175.510 -0.004 0.000 1.156 251 N CA 0.203 53.257 53.050 0.006 0.000 1.008 251 N CB 0.457 38.950 38.487 0.011 0.000 1.354 251 N HN 0.479 nan 8.380 nan 0.000 0.509 252 T N -2.795 111.744 114.554 -0.024 0.000 2.865 252 T HA 0.241 4.591 4.350 0.001 0.000 0.294 252 T C -0.549 174.130 174.700 -0.036 0.000 1.119 252 T CA -1.009 61.073 62.100 -0.030 0.000 1.007 252 T CB 2.149 70.989 68.868 -0.046 0.000 1.225 252 T HN 0.033 nan 8.240 nan 0.000 0.515 253 D N 0.560 120.941 120.400 -0.033 0.000 2.342 253 D HA 0.209 4.849 4.640 0.001 0.000 0.260 253 D C 0.444 176.718 176.300 -0.044 0.000 1.278 253 D CA -0.241 53.739 54.000 -0.034 0.000 0.910 253 D CB 1.134 41.916 40.800 -0.029 0.000 1.079 253 D HN 0.457 nan 8.370 nan 0.000 0.496 254 K N 2.138 122.510 120.400 -0.047 0.000 2.505 254 K HA 0.052 4.373 4.320 0.001 0.000 0.192 254 K C -0.203 176.368 176.600 -0.048 0.000 1.025 254 K CA -0.098 56.157 56.287 -0.054 0.000 1.086 254 K CB 0.153 32.621 32.500 -0.053 0.000 0.840 254 K HN 0.434 nan 8.250 nan 0.000 0.514 255 D N 0.211 120.583 120.400 -0.047 0.000 2.399 255 D HA -0.021 4.619 4.640 0.001 0.000 0.241 255 D C -0.235 176.024 176.300 -0.067 0.000 1.133 255 D CA -0.015 53.951 54.000 -0.058 0.000 0.890 255 D CB 1.218 41.985 40.800 -0.055 0.000 1.201 255 D HN -0.246 nan 8.370 nan 0.000 0.432 256 V N 3.713 123.561 119.914 -0.110 0.000 2.521 256 V HA 0.128 4.249 4.120 0.001 0.000 0.286 256 V C 0.858 176.895 176.094 -0.096 0.000 1.034 256 V CA 0.404 62.619 62.300 -0.142 0.000 1.045 256 V CB 0.217 31.827 31.823 -0.356 0.000 0.974 256 V HN 0.375 nan 8.190 nan 0.000 0.480 257 R N 4.417 124.940 120.500 0.039 0.000 2.855 257 R HA 0.479 4.820 4.340 0.001 0.000 0.266 257 R C -2.929 173.464 176.300 0.155 0.000 1.034 257 R CA -2.131 54.037 56.100 0.114 0.000 0.944 257 R CB 1.984 32.289 30.300 0.008 0.000 1.219 257 R HN 0.330 nan 8.270 nan 0.000 0.474 258 P HA 0.089 nan 4.420 nan 0.000 0.276 258 P C -0.832 176.264 177.300 -0.341 0.000 1.235 258 P CA -0.010 62.821 63.100 -0.447 0.000 0.772 258 P CB 0.853 32.209 31.700 -0.573 0.000 0.871 259 A N 3.778 126.372 122.820 -0.376 0.000 2.466 259 A HA 0.467 4.787 4.320 0.001 0.000 0.238 259 A C 1.046 178.419 177.584 -0.351 0.000 1.074 259 A CA 0.456 52.322 52.037 -0.284 0.000 0.774 259 A CB -0.446 18.394 19.000 -0.267 0.000 1.015 259 A HN 0.594 nan 8.150 nan 0.000 0.498 260 G N -0.781 107.873 108.800 -0.244 0.000 2.599 260 G HA2 0.420 4.381 3.960 0.001 0.000 0.264 260 G HA3 0.420 4.381 3.960 0.001 0.000 0.264 260 G C 0.290 175.029 174.900 -0.268 0.000 1.200 260 G CA -0.408 44.548 45.100 -0.241 0.000 0.896 260 G HN 0.536 nan 8.290 nan 0.000 0.536 261 F N -0.260 119.595 119.950 -0.158 0.000 2.171 261 F HA -0.052 4.476 4.527 0.001 0.000 0.300 261 F C 2.969 178.706 175.800 -0.106 0.000 1.090 261 F CA 1.836 59.746 58.000 -0.149 0.000 1.293 261 F CB -0.110 38.816 39.000 -0.124 0.000 1.013 261 F HN 0.443 nan 8.300 nan 0.000 0.486 262 T N -1.159 113.458 114.554 0.104 0.000 3.273 262 T HA 0.151 4.502 4.350 0.001 0.000 0.254 262 T C 0.211 174.911 174.700 0.001 0.000 1.002 262 T CA -0.694 61.432 62.100 0.043 0.000 0.913 262 T CB -1.051 67.841 68.868 0.040 0.000 1.056 262 T HN 0.199 nan 8.240 nan 0.000 0.576 263 Q N 0.995 120.774 119.800 -0.034 0.000 2.263 263 Q HA 0.432 4.772 4.340 0.001 0.000 0.289 263 Q C 1.300 177.285 176.000 -0.025 0.000 1.061 263 Q CA 0.730 56.506 55.803 -0.045 0.000 0.927 263 Q CB -0.392 28.293 28.738 -0.088 0.000 1.154 263 Q HN 0.432 nan 8.270 nan 0.000 0.378 264 G N 1.834 110.628 108.800 -0.010 0.000 2.162 264 G HA2 -0.304 3.656 3.960 0.001 0.000 0.260 264 G HA3 -0.304 3.656 3.960 0.001 0.000 0.260 264 G C 0.771 175.672 174.900 0.002 0.000 0.976 264 G CA 0.158 45.259 45.100 0.002 0.000 0.655 264 G HN 1.159 nan 8.290 nan 0.000 0.533 265 G N -0.105 108.696 108.800 0.001 0.000 2.485 265 G HA2 -0.142 3.818 3.960 0.001 0.000 0.221 265 G HA3 -0.142 3.818 3.960 0.001 0.000 0.221 265 G C 0.974 175.875 174.900 0.002 0.000 1.115 265 G CA 1.214 46.316 45.100 0.002 0.000 0.751 265 G HN 0.572 nan 8.290 nan 0.000 0.567 266 N N 0.161 118.863 118.700 0.002 0.000 2.497 266 N HA 0.135 4.876 4.740 0.001 0.000 0.284 266 N C -0.880 174.631 175.510 0.001 0.000 1.459 266 N CA 0.078 53.129 53.050 0.001 0.000 0.899 266 N CB 1.278 39.765 38.487 0.001 0.000 1.316 266 N HN 0.014 nan 8.380 nan 0.000 0.500 267 T N 0.445 115.001 114.554 0.004 0.000 2.893 267 T HA 0.472 4.822 4.350 0.001 0.000 0.293 267 T C -0.433 174.268 174.700 0.002 0.000 1.027 267 T CA -0.559 61.544 62.100 0.005 0.000 0.988 267 T CB 2.192 71.071 68.868 0.018 0.000 1.043 267 T HN -0.088 nan 8.240 nan 0.000 0.461 268 R N 3.148 123.643 120.500 -0.009 0.000 2.483 268 R HA 0.475 4.815 4.340 0.001 0.000 0.303 268 R C -1.223 175.054 176.300 -0.038 0.000 0.987 268 R CA -0.733 55.358 56.100 -0.015 0.000 0.881 268 R CB 1.664 31.952 30.300 -0.020 0.000 1.177 268 R HN 0.859 nan 8.270 nan 0.000 0.451 269 D N 0.897 121.281 120.400 -0.028 0.000 2.450 269 D HA 0.818 5.459 4.640 0.001 0.000 0.238 269 D C -0.865 175.395 176.300 -0.067 0.000 1.020 269 D CA -0.993 52.949 54.000 -0.098 0.000 1.010 269 D CB 1.967 42.752 40.800 -0.024 0.000 1.342 269 D HN 0.451 nan 8.370 nan 0.000 0.530 270 A N -0.417 122.306 122.820 -0.161 0.000 2.583 270 A HA 0.502 4.822 4.320 0.001 0.000 0.292 270 A C -1.683 175.886 177.584 -0.024 0.000 1.045 270 A CA -0.845 51.166 52.037 -0.042 0.000 0.672 270 A CB 1.092 20.057 19.000 -0.058 0.000 1.283 270 A HN 0.396 nan 8.150 nan 0.000 0.419 271 V N 1.817 121.775 119.914 0.072 0.000 2.406 271 V HA 0.376 4.497 4.120 0.001 0.000 0.272 271 V C -0.574 175.510 176.094 -0.016 0.000 1.043 271 V CA -0.048 62.306 62.300 0.091 0.000 0.915 271 V CB 0.785 32.674 31.823 0.109 0.000 0.988 271 V HN 0.566 nan 8.190 nan 0.000 0.466 272 I N 6.437 126.970 120.570 -0.062 0.000 2.304 272 I HA 0.433 4.603 4.170 0.001 0.000 0.291 272 I C 0.455 176.421 176.117 -0.253 0.000 1.018 272 I CA -0.125 61.051 61.300 -0.208 0.000 1.260 272 I CB 1.188 38.994 38.000 -0.323 0.000 1.390 272 I HN 0.671 nan 8.210 nan 0.000 0.475 273 R N 5.567 125.922 120.500 -0.243 0.000 2.393 273 R HA 0.683 5.024 4.340 0.001 0.000 0.310 273 R C -1.266 174.859 176.300 -0.291 0.000 0.968 273 R CA -0.458 55.556 56.100 -0.144 0.000 0.867 273 R CB 0.808 31.084 30.300 -0.041 0.000 1.124 273 R HN 0.173 nan 8.270 nan 0.000 0.450 274 F N 2.359 122.233 119.950 -0.126 0.000 2.370 274 F HA 0.416 4.943 4.527 0.001 0.000 0.319 274 F C -1.519 174.212 175.800 -0.114 0.000 1.129 274 F CA -2.495 55.364 58.000 -0.234 0.000 1.109 274 F CB 0.293 39.044 39.000 -0.415 0.000 1.262 274 F HN 0.421 nan 8.300 nan 0.000 0.534 275 P HA -0.046 nan 4.420 nan 0.000 0.266 275 P C 0.618 177.990 177.300 0.120 0.000 1.186 275 P CA 0.008 63.189 63.100 0.135 0.000 0.767 275 P CB 0.542 32.385 31.700 0.238 0.000 0.820 276 K N 2.033 122.487 120.400 0.091 0.000 2.007 276 K HA -0.224 4.097 4.320 0.001 0.000 0.231 276 K C 0.682 177.326 176.600 0.073 0.000 1.044 276 K CA 2.022 58.352 56.287 0.071 0.000 0.996 276 K CB -0.852 31.683 32.500 0.059 0.000 0.738 276 K HN 0.563 nan 8.250 nan 0.000 0.447 277 D N 0.132 120.581 120.400 0.081 0.000 2.434 277 D HA 0.022 4.663 4.640 0.001 0.000 0.232 277 D C 1.405 177.762 176.300 0.095 0.000 1.166 277 D CA 0.202 54.245 54.000 0.071 0.000 0.830 277 D CB 0.220 41.056 40.800 0.060 0.000 0.960 277 D HN 0.263 nan 8.370 nan 0.000 0.497 278 S N -0.134 115.643 115.700 0.130 0.000 2.368 278 S HA -0.006 4.465 4.470 0.001 0.000 0.224 278 S C 1.933 176.580 174.600 0.078 0.000 1.029 278 S CA 1.225 59.540 58.200 0.192 0.000 0.988 278 S CB -0.077 63.243 63.200 0.201 0.000 0.838 278 S HN 0.337 nan 8.310 nan 0.000 0.462 279 G N 0.188 108.986 108.800 -0.004 0.000 2.194 279 G HA2 -0.190 3.770 3.960 0.001 0.000 0.236 279 G HA3 -0.190 3.770 3.960 0.001 0.000 0.236 279 G C -0.153 174.595 174.900 -0.254 0.000 0.987 279 G CA 0.151 45.176 45.100 -0.123 0.000 0.635 279 G HN 0.733 nan 8.290 nan 0.000 0.520 280 H N 1.499 120.431 119.070 -0.230 0.000 2.580 280 H HA 0.497 5.054 4.556 0.001 0.000 0.322 280 H C 0.754 175.987 175.328 -0.159 0.000 1.082 280 H CA -0.360 55.462 56.048 -0.377 0.000 1.383 280 H CB 0.587 29.675 29.762 -1.123 0.000 1.450 280 H HN 0.187 nan 8.280 nan 0.000 0.505 281 N N 0.976 119.694 118.700 0.030 0.000 2.371 281 N HA 0.170 4.910 4.740 0.001 0.000 0.243 281 N C -0.004 175.642 175.510 0.227 0.000 1.287 281 N CA -0.209 52.899 53.050 0.097 0.000 0.911 281 N CB 0.703 39.226 38.487 0.060 0.000 1.142 281 N HN 0.698 nan 8.380 nan 0.000 0.451 282 A N 0.506 123.444 122.820 0.196 0.000 2.445 282 A HA 0.352 4.672 4.320 0.001 0.000 0.242 282 A C -0.132 177.586 177.584 0.223 0.000 1.075 282 A CA -0.215 51.954 52.037 0.219 0.000 0.777 282 A CB 0.263 19.331 19.000 0.114 0.000 1.013 282 A HN 0.361 nan 8.150 nan 0.000 0.493 283 V N 2.646 122.711 119.914 0.251 0.000 2.531 283 V HA 0.269 4.389 4.120 0.001 0.000 0.301 283 V C -0.675 175.536 176.094 0.194 0.000 1.034 283 V CA -0.497 61.961 62.300 0.263 0.000 0.865 283 V CB 1.321 33.370 31.823 0.376 0.000 0.995 283 V HN 0.824 nan 8.190 nan 0.000 0.424 284 Y N 5.258 125.615 120.300 0.095 0.000 2.309 284 Y HA 0.662 5.213 4.550 0.001 0.000 0.327 284 Y C -0.463 175.495 175.900 0.097 0.000 1.172 284 Y CA -0.255 57.884 58.100 0.064 0.000 1.280 284 Y CB 1.392 39.876 38.460 0.040 0.000 1.234 284 Y HN 0.395 nan 8.280 nan 0.000 0.512 285 V N 5.136 124.605 119.914 -0.741 0.000 2.733 285 V HA 0.366 4.486 4.120 0.001 0.000 0.306 285 V C -0.947 174.741 176.094 -0.677 0.000 1.084 285 V CA -0.887 61.108 62.300 -0.509 0.000 0.905 285 V CB 1.788 33.487 31.823 -0.207 0.000 1.010 285 V HN 0.770 nan 8.190 nan 0.000 0.424 286 S N 3.456 118.909 115.700 -0.411 0.000 2.552 286 S HA 0.756 5.227 4.470 0.001 0.000 0.314 286 S C -0.926 173.620 174.600 -0.091 0.000 1.099 286 S CA -0.419 57.646 58.200 -0.224 0.000 1.070 286 S CB 1.367 64.538 63.200 -0.049 0.000 0.998 286 S HN 0.517 nan 8.310 nan 0.000 0.474 287 V N 4.645 124.517 119.914 -0.071 0.000 2.384 287 V HA 0.581 4.702 4.120 0.001 0.000 0.287 287 V C -0.040 176.042 176.094 -0.020 0.000 1.020 287 V CA -0.541 61.735 62.300 -0.040 0.000 0.850 287 V CB 1.515 33.312 31.823 -0.042 0.000 0.987 287 V HN 0.866 nan 8.190 nan 0.000 0.436 288 S N 2.808 118.501 115.700 -0.011 0.000 2.513 288 S HA 0.495 4.966 4.470 0.001 0.000 0.299 288 S C -0.890 173.705 174.600 -0.007 0.000 1.087 288 S CA -0.813 57.385 58.200 -0.004 0.000 1.012 288 S CB 1.465 64.668 63.200 0.005 0.000 1.044 288 S HN 0.768 nan 8.310 nan 0.000 0.485 289 D N 1.647 122.044 120.400 -0.005 0.000 2.302 289 D HA 0.214 4.854 4.640 0.001 0.000 0.248 289 D C -0.261 176.035 176.300 -0.006 0.000 1.094 289 D CA -0.227 53.769 54.000 -0.006 0.000 0.897 289 D CB 1.068 41.864 40.800 -0.005 0.000 1.200 289 D HN 0.143 nan 8.370 nan 0.000 0.429 290 V N 3.538 123.448 119.914 -0.007 0.000 2.387 290 V HA 0.075 4.195 4.120 0.001 0.000 0.260 290 V C 0.678 176.769 176.094 -0.005 0.000 1.054 290 V CA -0.404 61.891 62.300 -0.007 0.000 0.967 290 V CB -0.017 31.800 31.823 -0.010 0.000 1.036 290 V HN 0.271 nan 8.190 nan 0.000 0.481 291 L N 4.829 126.050 121.223 -0.003 0.000 2.417 291 L HA 0.354 4.695 4.340 0.001 0.000 0.268 291 L C 0.958 177.827 176.870 -0.002 0.000 1.158 291 L CA 0.070 54.909 54.840 -0.002 0.000 0.819 291 L CB 1.091 43.149 42.059 -0.000 0.000 1.112 291 L HN 0.764 nan 8.230 nan 0.000 0.458 292 S N 1.296 116.995 115.700 -0.002 0.000 2.652 292 S HA 0.331 4.802 4.470 0.001 0.000 0.270 292 S C -1.947 172.653 174.600 -0.001 0.000 1.243 292 S CA -1.268 56.931 58.200 -0.002 0.000 0.999 292 S CB 1.372 64.570 63.200 -0.002 0.000 0.973 292 S HN 0.385 nan 8.310 nan 0.000 0.544 293 P HA -0.158 nan 4.420 nan 0.000 0.217 293 P C 0.758 178.058 177.300 -0.000 0.000 1.151 293 P CA 1.497 64.597 63.100 -0.000 0.000 0.849 293 P CB -0.041 31.659 31.700 -0.000 0.000 0.787 294 D N -0.804 119.596 120.400 -0.001 0.000 2.117 294 D HA -0.150 4.491 4.640 0.001 0.000 0.198 294 D C 1.962 178.262 176.300 -0.001 0.000 0.982 294 D CA 1.099 55.098 54.000 -0.001 0.000 0.828 294 D CB -0.416 40.383 40.800 -0.001 0.000 0.967 294 D HN 0.374 nan 8.370 nan 0.000 0.464 295 Q N 0.556 120.355 119.800 -0.001 0.000 2.172 295 Q HA -0.051 4.290 4.340 0.001 0.000 0.200 295 Q C 2.470 178.470 176.000 0.000 0.000 0.964 295 Q CA 0.520 56.323 55.803 -0.001 0.000 0.855 295 Q CB 0.172 28.910 28.738 -0.001 0.000 0.918 295 Q HN 0.124 nan 8.270 nan 0.000 0.444 296 V N 1.279 121.194 119.914 0.001 0.000 2.427 296 V HA -0.261 3.860 4.120 0.001 0.000 0.248 296 V C 2.247 178.342 176.094 0.002 0.000 1.051 296 V CA 1.890 64.191 62.300 0.001 0.000 1.048 296 V CB -0.412 31.412 31.823 0.001 0.000 0.666 296 V HN 0.280 nan 8.190 nan 0.000 0.456 297 K N -0.041 120.360 120.400 0.001 0.000 2.026 297 K HA -0.228 4.092 4.320 0.001 0.000 0.208 297 K C 2.251 178.851 176.600 0.000 0.000 1.048 297 K CA 1.660 57.948 56.287 0.001 0.000 0.929 297 K CB -0.173 32.327 32.500 0.000 0.000 0.713 297 K HN 0.520 nan 8.250 nan 0.000 0.439 298 Q N -0.164 119.636 119.800 -0.000 0.000 2.096 298 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 298 Q C 2.216 178.216 176.000 -0.001 0.000 0.982 298 Q CA 1.321 57.123 55.803 -0.002 0.000 0.850 298 Q CB -0.075 28.662 28.738 -0.002 0.000 0.901 298 Q HN 0.196 nan 8.270 nan 0.000 0.422 299 R N 0.534 121.035 120.500 0.002 0.000 2.073 299 R HA -0.160 4.181 4.340 0.001 0.000 0.234 299 R C 2.217 178.523 176.300 0.009 0.000 1.134 299 R CA 1.516 57.620 56.100 0.006 0.000 0.952 299 R CB -0.554 29.750 30.300 0.006 0.000 0.850 299 R HN 0.273 nan 8.270 nan 0.000 0.433 300 Q N 1.212 121.017 119.800 0.008 0.000 2.096 300 Q HA -0.148 4.193 4.340 0.001 0.000 0.204 300 Q C 1.434 177.439 176.000 0.008 0.000 0.982 300 Q CA 1.838 57.647 55.803 0.010 0.000 0.850 300 Q CB -0.233 28.510 28.738 0.007 0.000 0.901 300 Q HN 0.224 nan 8.270 nan 0.000 0.422 301 D N -0.345 120.056 120.400 0.001 0.000 2.117 301 D HA -0.164 4.477 4.640 0.001 0.000 0.197 301 D C 1.701 177.993 176.300 -0.013 0.000 0.987 301 D CA 1.358 55.355 54.000 -0.005 0.000 0.829 301 D CB -0.157 40.639 40.800 -0.006 0.000 0.961 301 D HN 0.324 nan 8.370 nan 0.000 0.460 302 E N 1.154 121.346 120.200 -0.013 0.000 2.051 302 E HA -0.173 4.178 4.350 0.001 0.000 0.192 302 E C 1.844 178.422 176.600 -0.037 0.000 0.991 302 E CA 1.113 57.496 56.400 -0.028 0.000 0.799 302 E CB -0.067 29.623 29.700 -0.016 0.000 0.748 302 E HN 0.095 nan 8.360 nan 0.000 0.449 303 E N 0.568 120.774 120.200 0.011 0.000 2.070 303 E HA -0.221 4.130 4.350 0.001 0.000 0.197 303 E C 1.993 178.607 176.600 0.023 0.000 1.004 303 E CA 1.397 57.839 56.400 0.070 0.000 0.805 303 E CB -0.613 29.141 29.700 0.089 0.000 0.744 303 E HN 0.474 nan 8.360 nan 0.000 0.451 304 N N 0.339 119.043 118.700 0.008 0.000 2.069 304 N HA -0.181 4.559 4.740 0.001 0.000 0.191 304 N C 2.085 177.571 175.510 -0.040 0.000 1.031 304 N CA 0.851 53.902 53.050 0.001 0.000 0.852 304 N CB -0.135 38.355 38.487 0.004 0.000 1.018 304 N HN 0.056 nan 8.380 nan 0.000 0.423 305 R N 1.477 121.937 120.500 -0.066 0.000 2.073 305 R HA -0.052 4.289 4.340 0.001 0.000 0.234 305 R C 2.125 178.324 176.300 -0.167 0.000 1.134 305 R CA 1.308 57.356 56.100 -0.087 0.000 0.952 305 R CB 0.032 30.286 30.300 -0.076 0.000 0.850 305 R HN 0.234 nan 8.270 nan 0.000 0.433 306 R N -0.302 120.005 120.500 -0.322 0.000 2.115 306 R HA -0.150 4.191 4.340 0.001 0.000 0.230 306 R C 2.334 178.191 176.300 -0.739 0.000 1.111 306 R CA 1.400 57.090 56.100 -0.684 0.000 0.976 306 R CB -0.183 29.421 30.300 -1.160 0.000 0.870 306 R HN 0.182 nan 8.270 nan 0.000 0.445 307 Q N 1.098 120.669 119.800 -0.382 0.000 2.119 307 Q HA -0.179 4.162 4.340 0.001 0.000 0.201 307 Q C 1.955 178.025 176.000 0.117 0.000 0.972 307 Q CA 1.660 57.505 55.803 0.071 0.000 0.847 307 Q CB -0.033 28.819 28.738 0.190 0.000 0.903 307 Q HN 0.319 nan 8.270 nan 0.000 0.433 308 Q N -0.285 119.534 119.800 0.032 0.000 2.119 308 Q HA -0.165 4.176 4.340 0.001 0.000 0.201 308 Q C 1.683 177.719 176.000 0.061 0.000 0.972 308 Q CA 1.454 57.288 55.803 0.052 0.000 0.847 308 Q CB 0.031 28.779 28.738 0.017 0.000 0.903 308 Q HN 0.520 nan 8.270 nan 0.000 0.433 309 E N -0.330 119.884 120.200 0.023 0.000 2.106 309 E HA -0.199 4.152 4.350 0.001 0.000 0.192 309 E C 1.639 178.318 176.600 0.131 0.000 0.984 309 E CA 0.765 57.187 56.400 0.037 0.000 0.806 309 E CB -0.284 29.410 29.700 -0.009 0.000 0.750 309 E HN 0.563 nan 8.360 nan 0.000 0.458 310 W N 2.289 123.595 121.300 0.010 0.000 2.407 310 W HA -0.160 4.501 4.660 0.001 0.000 0.305 310 W C 1.156 177.806 176.519 0.218 0.000 1.196 310 W CA 1.281 58.718 57.345 0.154 0.000 1.311 310 W CB -0.025 29.535 29.460 0.167 0.000 1.135 310 W HN 0.034 nan 8.180 nan 0.000 0.514 311 D N 0.623 121.206 120.400 0.305 0.000 2.123 311 D HA -0.166 4.474 4.640 0.001 0.000 0.196 311 D C 2.249 178.597 176.300 0.081 0.000 0.992 311 D CA 1.924 56.038 54.000 0.191 0.000 0.833 311 D CB -0.859 40.042 40.800 0.167 0.000 0.954 311 D HN 0.148 nan 8.370 nan 0.000 0.455 312 A N 0.400 123.251 122.820 0.052 0.000 2.019 312 A HA -0.118 4.202 4.320 0.001 0.000 0.219 312 A C 2.105 179.653 177.584 -0.059 0.000 1.164 312 A CA 2.104 54.143 52.037 0.003 0.000 0.644 312 A CB -0.535 18.467 19.000 0.003 0.000 0.805 312 A HN 0.374 nan 8.150 nan 0.000 0.449 313 T N -4.627 109.850 114.554 -0.128 0.000 3.054 313 T HA 0.213 4.563 4.350 0.001 0.000 0.255 313 T C 0.253 174.581 174.700 -0.621 0.000 1.035 313 T CA -0.026 61.878 62.100 -0.327 0.000 0.941 313 T CB -0.205 68.416 68.868 -0.411 0.000 1.026 313 T HN 0.514 nan 8.240 nan 0.000 0.533 314 H N 1.066 119.973 119.070 -0.272 0.000 2.429 314 H HA 0.251 4.808 4.556 0.001 0.000 0.231 314 H C -2.349 172.937 175.328 -0.071 0.000 1.416 314 H CA -1.555 54.361 56.048 -0.221 0.000 1.443 314 H CB 1.645 31.182 29.762 -0.375 0.000 1.591 314 H HN 0.126 nan 8.280 nan 0.000 0.507 315 P HA -0.228 nan 4.420 nan 0.000 0.217 315 P C 1.784 179.121 177.300 0.062 0.000 1.158 315 P CA 0.992 64.111 63.100 0.033 0.000 0.887 315 P CB 0.524 32.229 31.700 0.008 0.000 0.792 316 V N 0.065 120.021 119.914 0.070 0.000 2.244 316 V HA -0.223 3.897 4.120 0.001 0.000 0.244 316 V C 2.488 178.645 176.094 0.105 0.000 1.042 316 V CA 1.919 64.265 62.300 0.077 0.000 1.006 316 V CB -1.245 30.624 31.823 0.076 0.000 0.641 316 V HN 0.148 nan 8.190 nan 0.000 0.446 317 E N 0.542 120.829 120.200 0.144 0.000 2.114 317 E HA -0.286 4.064 4.350 0.001 0.000 0.199 317 E C 2.212 178.910 176.600 0.162 0.000 1.008 317 E CA 1.932 58.434 56.400 0.170 0.000 0.810 317 E CB -0.279 29.560 29.700 0.231 0.000 0.739 317 E HN 0.522 nan 8.360 nan 0.000 0.456 318 A N 1.210 124.122 122.820 0.154 0.000 1.858 318 A HA -0.088 4.233 4.320 0.001 0.000 0.216 318 A C 2.502 180.156 177.584 0.117 0.000 1.190 318 A CA 2.530 54.649 52.037 0.136 0.000 0.617 318 A CB -0.966 18.101 19.000 0.112 0.000 0.827 318 A HN 0.364 nan 8.150 nan 0.000 0.443 319 A N -0.432 122.448 122.820 0.100 0.000 1.978 319 A HA -0.203 4.117 4.320 0.001 0.000 0.220 319 A C 1.906 179.568 177.584 0.130 0.000 1.170 319 A CA 1.781 53.877 52.037 0.098 0.000 0.636 319 A CB -0.557 18.484 19.000 0.067 0.000 0.810 319 A HN 0.679 nan 8.150 nan 0.000 0.448 320 E N -0.397 119.877 120.200 0.124 0.000 2.023 320 E HA -0.247 4.104 4.350 0.001 0.000 0.196 320 E C 2.307 179.023 176.600 0.193 0.000 1.003 320 E CA 1.590 58.079 56.400 0.149 0.000 0.809 320 E CB -0.265 29.510 29.700 0.125 0.000 0.755 320 E HN 0.821 nan 8.360 nan 0.000 0.449 321 R N 0.895 121.484 120.500 0.148 0.000 2.189 321 R HA -0.057 4.284 4.340 0.001 0.000 0.223 321 R C 1.778 178.141 176.300 0.106 0.000 1.092 321 R CA 1.575 57.747 56.100 0.120 0.000 0.989 321 R CB -0.544 29.817 30.300 0.101 0.000 0.876 321 R HN 0.164 nan 8.270 nan 0.000 0.457 322 N N -0.057 118.716 118.700 0.122 0.000 2.331 322 N HA -0.191 4.550 4.740 0.001 0.000 0.180 322 N C 1.491 177.068 175.510 0.113 0.000 1.019 322 N CA 0.628 53.738 53.050 0.101 0.000 0.881 322 N CB -0.006 38.541 38.487 0.100 0.000 0.972 322 N HN 0.367 nan 8.380 nan 0.000 0.435 323 Y N 1.247 121.567 120.300 0.034 0.000 2.231 323 Y HA 0.021 4.572 4.550 0.001 0.000 0.294 323 Y C 2.304 178.219 175.900 0.025 0.000 1.120 323 Y CA 1.102 59.218 58.100 0.028 0.000 1.141 323 Y CB -0.329 38.149 38.460 0.029 0.000 1.022 323 Y HN -0.032 nan 8.280 nan 0.000 0.523 324 E N 1.065 121.264 120.200 -0.002 0.000 2.118 324 E HA -0.256 4.095 4.350 0.001 0.000 0.195 324 E C 2.366 178.875 176.600 -0.152 0.000 0.992 324 E CA 1.676 58.011 56.400 -0.109 0.000 0.804 324 E CB -0.331 29.407 29.700 0.063 0.000 0.741 324 E HN 0.509 nan 8.360 nan 0.000 0.458 325 R N -0.470 119.983 120.500 -0.079 0.000 2.092 325 R HA -0.051 4.289 4.340 0.001 0.000 0.231 325 R C 2.080 178.319 176.300 -0.101 0.000 1.119 325 R CA 1.283 57.346 56.100 -0.062 0.000 0.970 325 R CB -0.285 30.007 30.300 -0.014 0.000 0.864 325 R HN 0.220 nan 8.270 nan 0.000 0.440 326 A N 1.068 123.798 122.820 -0.150 0.000 1.929 326 A HA -0.120 4.201 4.320 0.001 0.000 0.216 326 A C 2.185 179.641 177.584 -0.213 0.000 1.176 326 A CA 1.082 53.028 52.037 -0.152 0.000 0.628 326 A CB -0.515 18.406 19.000 -0.132 0.000 0.816 326 A HN 0.385 nan 8.150 nan 0.000 0.444 327 R N -0.287 119.993 120.500 -0.367 0.000 2.091 327 R HA -0.140 4.200 4.340 0.001 0.000 0.238 327 R C 2.252 178.454 176.300 -0.164 0.000 1.136 327 R CA 1.532 57.437 56.100 -0.324 0.000 0.959 327 R CB -0.347 29.698 30.300 -0.425 0.000 0.856 327 R HN 0.450 nan 8.270 nan 0.000 0.437 328 A N 0.865 123.604 122.820 -0.134 0.000 1.872 328 A HA -0.122 4.199 4.320 0.001 0.000 0.214 328 A C 1.876 179.422 177.584 -0.062 0.000 1.187 328 A CA 1.296 53.285 52.037 -0.079 0.000 0.614 328 A CB -0.391 18.573 19.000 -0.061 0.000 0.826 328 A HN 0.448 nan 8.150 nan 0.000 0.442 329 E N -0.330 119.832 120.200 -0.063 0.000 2.209 329 E HA -0.160 4.191 4.350 0.001 0.000 0.196 329 E C 1.892 178.467 176.600 -0.042 0.000 0.993 329 E CA 0.794 57.167 56.400 -0.045 0.000 0.819 329 E CB -0.182 29.494 29.700 -0.039 0.000 0.745 329 E HN 0.518 nan 8.360 nan 0.000 0.477 330 L N 1.526 122.717 121.223 -0.054 0.000 2.023 330 L HA -0.153 4.188 4.340 0.001 0.000 0.205 330 L C 1.548 178.397 176.870 -0.035 0.000 1.073 330 L CA 1.810 56.625 54.840 -0.043 0.000 0.745 330 L CB -0.850 41.177 42.059 -0.052 0.000 0.900 330 L HN 0.135 nan 8.230 nan 0.000 0.435 331 N N -0.465 118.211 118.700 -0.041 0.000 2.149 331 N HA -0.258 4.483 4.740 0.001 0.000 0.188 331 N C 1.651 177.146 175.510 -0.024 0.000 1.019 331 N CA 1.261 54.293 53.050 -0.030 0.000 0.857 331 N CB -0.071 38.396 38.487 -0.033 0.000 0.997 331 N HN 0.525 nan 8.380 nan 0.000 0.426 332 Q N 0.216 120.001 119.800 -0.026 0.000 2.291 332 Q HA 0.025 4.366 4.340 0.001 0.000 0.205 332 Q C 1.989 177.978 176.000 -0.017 0.000 0.970 332 Q CA 0.966 56.756 55.803 -0.021 0.000 0.876 332 Q CB 0.083 28.808 28.738 -0.021 0.000 0.935 332 Q HN 0.408 nan 8.270 nan 0.000 0.455 333 A N 0.671 123.480 122.820 -0.018 0.000 2.016 333 A HA -0.100 4.221 4.320 0.001 0.000 0.217 333 A C 1.515 179.091 177.584 -0.013 0.000 1.162 333 A CA 0.971 52.999 52.037 -0.015 0.000 0.662 333 A CB -0.275 18.716 19.000 -0.015 0.000 0.812 333 A HN 0.346 nan 8.150 nan 0.000 0.450 334 N N -0.732 117.960 118.700 -0.014 0.000 2.171 334 N HA -0.146 4.595 4.740 0.001 0.000 0.184 334 N C 1.740 177.244 175.510 -0.010 0.000 1.021 334 N CA 1.105 54.148 53.050 -0.011 0.000 0.854 334 N CB -0.054 38.426 38.487 -0.011 0.000 0.994 334 N HN 0.470 nan 8.380 nan 0.000 0.426 335 E N 1.432 121.625 120.200 -0.011 0.000 2.268 335 E HA -0.147 4.204 4.350 0.001 0.000 0.195 335 E C 1.285 177.880 176.600 -0.009 0.000 0.995 335 E CA 0.998 57.392 56.400 -0.010 0.000 0.836 335 E CB -0.093 29.600 29.700 -0.011 0.000 0.763 335 E HN 0.221 nan 8.360 nan 0.000 0.491 336 D N -0.711 119.683 120.400 -0.010 0.000 2.103 336 D HA -0.125 4.516 4.640 0.001 0.000 0.199 336 D C 1.889 178.184 176.300 -0.009 0.000 0.978 336 D CA 1.295 55.290 54.000 -0.010 0.000 0.829 336 D CB 0.072 40.866 40.800 -0.010 0.000 0.981 336 D HN 0.217 nan 8.370 nan 0.000 0.464 337 V N 1.153 121.062 119.914 -0.009 0.000 2.343 337 V HA -0.182 3.939 4.120 0.001 0.000 0.247 337 V C 2.346 178.435 176.094 -0.008 0.000 1.051 337 V CA 2.289 64.584 62.300 -0.009 0.000 1.036 337 V CB -0.456 31.362 31.823 -0.008 0.000 0.654 337 V HN 0.226 nan 8.190 nan 0.000 0.451 338 A N -0.091 122.725 122.820 -0.007 0.000 1.972 338 A HA -0.204 4.117 4.320 0.001 0.000 0.219 338 A C 2.293 179.873 177.584 -0.006 0.000 1.169 338 A CA 1.891 53.924 52.037 -0.006 0.000 0.635 338 A CB -0.564 18.432 19.000 -0.006 0.000 0.810 338 A HN 0.615 nan 8.150 nan 0.000 0.446 339 R N -0.425 120.071 120.500 -0.007 0.000 2.090 339 R HA -0.011 4.329 4.340 0.001 0.000 0.228 339 R C 1.728 178.023 176.300 -0.007 0.000 1.110 339 R CA 1.189 57.285 56.100 -0.006 0.000 0.973 339 R CB -0.203 30.093 30.300 -0.007 0.000 0.869 339 R HN 0.526 nan 8.270 nan 0.000 0.440 340 N N 0.671 119.366 118.700 -0.008 0.000 2.331 340 N HA -0.121 4.620 4.740 0.001 0.000 0.180 340 N C 1.493 176.997 175.510 -0.011 0.000 1.019 340 N CA 0.960 54.004 53.050 -0.010 0.000 0.881 340 N CB 0.145 38.625 38.487 -0.011 0.000 0.972 340 N HN 0.386 nan 8.380 nan 0.000 0.435 341 Q N 0.730 120.524 119.800 -0.009 0.000 2.167 341 Q HA -0.079 4.261 4.340 0.001 0.000 0.202 341 Q C 1.411 177.406 176.000 -0.007 0.000 0.970 341 Q CA 0.936 56.734 55.803 -0.009 0.000 0.855 341 Q CB 0.065 28.798 28.738 -0.008 0.000 0.911 341 Q HN 0.471 nan 8.270 nan 0.000 0.438 342 E N 0.637 120.833 120.200 -0.006 0.000 2.072 342 E HA -0.171 4.180 4.350 0.001 0.000 0.190 342 E C 1.976 178.574 176.600 -0.003 0.000 0.982 342 E CA 0.692 57.090 56.400 -0.003 0.000 0.803 342 E CB -0.076 29.623 29.700 -0.002 0.000 0.755 342 E HN 0.181 nan 8.360 nan 0.000 0.453 343 R N 1.368 121.865 120.500 -0.005 0.000 2.081 343 R HA -0.214 4.127 4.340 0.001 0.000 0.235 343 R C 2.400 178.696 176.300 -0.008 0.000 1.131 343 R CA 1.808 57.904 56.100 -0.006 0.000 0.960 343 R CB -0.071 30.224 30.300 -0.008 0.000 0.856 343 R HN 0.160 nan 8.270 nan 0.000 0.436 344 Q N -0.227 119.565 119.800 -0.012 0.000 2.046 344 Q HA -0.143 4.197 4.340 0.001 0.000 0.200 344 Q C 1.978 177.969 176.000 -0.013 0.000 0.975 344 Q CA 1.614 57.406 55.803 -0.019 0.000 0.836 344 Q CB -0.173 28.550 28.738 -0.024 0.000 0.896 344 Q HN 0.477 nan 8.270 nan 0.000 0.428 345 A N 1.408 124.224 122.820 -0.007 0.000 1.908 345 A HA -0.239 4.082 4.320 0.001 0.000 0.218 345 A C 2.054 179.644 177.584 0.009 0.000 1.181 345 A CA 1.853 53.890 52.037 -0.000 0.000 0.627 345 A CB -0.581 18.420 19.000 0.002 0.000 0.818 345 A HN 0.400 nan 8.150 nan 0.000 0.445 346 K N -0.531 119.875 120.400 0.009 0.000 2.155 346 K HA 0.008 4.328 4.320 0.001 0.000 0.203 346 K C 2.106 178.722 176.600 0.027 0.000 1.052 346 K CA 1.000 57.297 56.287 0.017 0.000 0.948 346 K CB -0.279 32.229 32.500 0.013 0.000 0.728 346 K HN 0.374 nan 8.250 nan 0.000 0.448 347 A N 0.583 123.414 122.820 0.018 0.000 1.930 347 A HA -0.087 4.234 4.320 0.001 0.000 0.217 347 A C 2.156 179.773 177.584 0.056 0.000 1.175 347 A CA 1.374 53.426 52.037 0.027 0.000 0.627 347 A CB -0.464 18.535 19.000 -0.003 0.000 0.815 347 A HN 0.157 nan 8.150 nan 0.000 0.443 348 V N 0.082 120.013 119.914 0.029 0.000 2.358 348 V HA -0.301 3.819 4.120 0.001 0.000 0.246 348 V C 2.720 178.884 176.094 0.117 0.000 1.047 348 V CA 2.234 64.561 62.300 0.045 0.000 1.035 348 V CB -0.802 31.022 31.823 0.002 0.000 0.658 348 V HN 0.799 nan 8.190 nan 0.000 0.452 349 Q N -0.025 119.823 119.800 0.080 0.000 2.061 349 Q HA -0.202 4.138 4.340 0.001 0.000 0.204 349 Q C 2.227 178.287 176.000 0.100 0.000 0.984 349 Q CA 2.472 58.323 55.803 0.079 0.000 0.846 349 Q CB -0.143 28.625 28.738 0.049 0.000 0.902 349 Q HN 0.494 nan 8.270 nan 0.000 0.421 350 V N 0.472 120.443 119.914 0.097 0.000 2.427 350 V HA -0.247 3.873 4.120 0.001 0.000 0.248 350 V C 2.006 178.183 176.094 0.138 0.000 1.051 350 V CA 1.936 64.291 62.300 0.092 0.000 1.048 350 V CB -0.900 30.963 31.823 0.067 0.000 0.666 350 V HN 0.473 nan 8.190 nan 0.000 0.456 351 Y N 2.116 122.440 120.300 0.041 0.000 2.049 351 Y HA -0.287 4.264 4.550 0.001 0.000 0.277 351 Y C 2.641 178.634 175.900 0.156 0.000 1.143 351 Y CA 2.300 60.447 58.100 0.079 0.000 1.115 351 Y CB -0.457 38.029 38.460 0.045 0.000 0.975 351 Y HN 0.270 nan 8.280 nan 0.000 0.487 352 N N -0.145 118.751 118.700 0.327 0.000 2.060 352 N HA -0.249 4.491 4.740 0.001 0.000 0.195 352 N C 2.162 177.711 175.510 0.065 0.000 1.028 352 N CA 1.640 54.800 53.050 0.183 0.000 0.861 352 N CB -0.956 37.637 38.487 0.176 0.000 1.029 352 N HN 0.427 nan 8.380 nan 0.000 0.428 353 S N 0.693 116.436 115.700 0.071 0.000 2.356 353 S HA -0.053 4.417 4.470 0.001 0.000 0.223 353 S C 1.862 176.476 174.600 0.022 0.000 1.032 353 S CA 0.790 59.013 58.200 0.039 0.000 1.005 353 S CB 0.084 63.310 63.200 0.043 0.000 0.867 353 S HN 0.169 nan 8.310 nan 0.000 0.449 354 R N 1.270 121.797 120.500 0.045 0.000 2.115 354 R HA 0.024 4.365 4.340 0.001 0.000 0.230 354 R C 2.376 178.692 176.300 0.027 0.000 1.111 354 R CA 1.214 57.356 56.100 0.070 0.000 0.976 354 R CB -0.766 29.613 30.300 0.131 0.000 0.870 354 R HN 0.572 nan 8.270 nan 0.000 0.445 355 K N 0.418 120.788 120.400 -0.050 0.000 2.025 355 K HA -0.052 4.268 4.320 0.001 0.000 0.207 355 K C 2.019 178.473 176.600 -0.243 0.000 1.049 355 K CA 1.616 57.695 56.287 -0.346 0.000 0.933 355 K CB 0.060 32.352 32.500 -0.347 0.000 0.714 355 K HN -0.051 nan 8.250 nan 0.000 0.438 356 S N 1.050 116.679 115.700 -0.118 0.000 2.368 356 S HA -0.136 4.334 4.470 0.001 0.000 0.225 356 S C 1.646 176.197 174.600 -0.082 0.000 1.030 356 S CA 1.465 59.614 58.200 -0.085 0.000 0.999 356 S CB -0.205 62.971 63.200 -0.039 0.000 0.844 356 S HN 0.396 nan 8.310 nan 0.000 0.459 357 E N 0.400 120.560 120.200 -0.065 0.000 2.110 357 E HA -0.129 4.221 4.350 0.001 0.000 0.193 357 E C 2.015 178.570 176.600 -0.075 0.000 0.988 357 E CA 0.796 57.165 56.400 -0.051 0.000 0.804 357 E CB -0.147 29.538 29.700 -0.025 0.000 0.745 357 E HN 0.260 nan 8.360 nan 0.000 0.458 358 L N 1.292 122.440 121.223 -0.125 0.000 2.044 358 L HA -0.133 4.207 4.340 0.001 0.000 0.205 358 L C 1.435 178.213 176.870 -0.154 0.000 1.075 358 L CA 1.844 56.591 54.840 -0.155 0.000 0.747 358 L CB -0.294 41.594 42.059 -0.285 0.000 0.903 358 L HN -0.057 nan 8.230 nan 0.000 0.435 359 D N 0.132 120.425 120.400 -0.178 0.000 2.123 359 D HA -0.189 4.451 4.640 0.001 0.000 0.196 359 D C 2.160 178.407 176.300 -0.089 0.000 0.992 359 D CA 1.673 55.590 54.000 -0.138 0.000 0.833 359 D CB -0.194 40.527 40.800 -0.132 0.000 0.954 359 D HN 0.514 nan 8.370 nan 0.000 0.455 360 A N 0.769 123.544 122.820 -0.075 0.000 1.897 360 A HA 0.068 4.389 4.320 0.001 0.000 0.215 360 A C 2.299 179.855 177.584 -0.047 0.000 1.181 360 A CA 1.888 53.894 52.037 -0.051 0.000 0.620 360 A CB -0.645 18.330 19.000 -0.041 0.000 0.821 360 A HN 0.220 nan 8.150 nan 0.000 0.443 361 A N 0.428 123.217 122.820 -0.052 0.000 1.940 361 A HA -0.210 4.111 4.320 0.001 0.000 0.219 361 A C 1.871 179.429 177.584 -0.043 0.000 1.176 361 A CA 1.874 53.885 52.037 -0.043 0.000 0.631 361 A CB -0.633 18.342 19.000 -0.042 0.000 0.814 361 A HN 0.513 nan 8.150 nan 0.000 0.446 362 N N -0.290 118.378 118.700 -0.055 0.000 2.309 362 N HA -0.094 4.647 4.740 0.001 0.000 0.182 362 N C 1.594 177.080 175.510 -0.039 0.000 1.018 362 N CA 1.136 54.156 53.050 -0.050 0.000 0.876 362 N CB -0.250 38.198 38.487 -0.065 0.000 0.972 362 N HN 0.577 nan 8.380 nan 0.000 0.434 363 K N 0.123 120.500 120.400 -0.039 0.000 2.001 363 K HA -0.022 4.298 4.320 0.001 0.000 0.208 363 K C 1.715 178.301 176.600 -0.023 0.000 1.048 363 K CA 1.333 57.602 56.287 -0.030 0.000 0.932 363 K CB -0.082 32.400 32.500 -0.029 0.000 0.715 363 K HN 0.102 nan 8.250 nan 0.000 0.437 364 T N 2.229 116.769 114.554 -0.024 0.000 2.665 364 T HA -0.189 4.161 4.350 0.001 0.000 0.268 364 T C 1.694 176.383 174.700 -0.018 0.000 1.035 364 T CA 1.366 63.454 62.100 -0.019 0.000 1.151 364 T CB -0.244 68.612 68.868 -0.021 0.000 0.862 364 T HN 0.112 nan 8.240 nan 0.000 0.438 365 L N 1.449 122.659 121.223 -0.022 0.000 2.046 365 L HA 0.111 4.452 4.340 0.001 0.000 0.208 365 L C 2.607 179.467 176.870 -0.017 0.000 1.077 365 L CA 1.922 56.749 54.840 -0.022 0.000 0.747 365 L CB -1.128 40.916 42.059 -0.024 0.000 0.896 365 L HN 0.223 nan 8.230 nan 0.000 0.432 366 A N -0.903 121.906 122.820 -0.018 0.000 1.972 366 A HA -0.200 4.120 4.320 0.001 0.000 0.219 366 A C 1.939 179.518 177.584 -0.008 0.000 1.169 366 A CA 1.872 53.901 52.037 -0.014 0.000 0.635 366 A CB -0.723 18.267 19.000 -0.017 0.000 0.810 366 A HN 0.568 nan 8.150 nan 0.000 0.446 367 D N -0.195 120.200 120.400 -0.008 0.000 2.234 367 D HA 0.081 4.722 4.640 0.001 0.000 0.205 367 D C 2.096 178.400 176.300 0.007 0.000 0.962 367 D CA 1.209 55.208 54.000 -0.001 0.000 0.855 367 D CB -0.242 40.557 40.800 -0.001 0.000 0.951 367 D HN 0.442 nan 8.370 nan 0.000 0.500 368 A N 0.613 123.433 122.820 -0.000 0.000 1.970 368 A HA -0.014 4.307 4.320 0.001 0.000 0.216 368 A C 2.275 179.860 177.584 0.002 0.000 1.170 368 A CA 0.417 52.454 52.037 0.001 0.000 0.645 368 A CB -0.418 18.571 19.000 -0.018 0.000 0.816 368 A HN 0.127 nan 8.150 nan 0.000 0.447 369 I N -0.268 120.301 120.570 -0.002 0.000 2.252 369 I HA -0.223 3.947 4.170 0.001 0.000 0.245 369 I C 2.896 179.026 176.117 0.021 0.000 1.102 369 I CA 1.009 62.311 61.300 0.004 0.000 1.385 369 I CB -0.284 37.717 38.000 0.000 0.000 1.064 369 I HN 0.340 nan 8.210 nan 0.000 0.414 370 A N 0.143 122.972 122.820 0.014 0.000 2.015 370 A HA -0.242 4.079 4.320 0.001 0.000 0.219 370 A C 2.276 179.872 177.584 0.019 0.000 1.163 370 A CA 1.696 53.740 52.037 0.011 0.000 0.646 370 A CB -0.541 18.458 19.000 -0.002 0.000 0.806 370 A HN 0.503 nan 8.150 nan 0.000 0.448 371 E N -0.613 119.614 120.200 0.044 0.000 2.152 371 E HA -0.139 4.212 4.350 0.001 0.000 0.192 371 E C 1.757 178.479 176.600 0.204 0.000 0.983 371 E CA 1.000 57.459 56.400 0.099 0.000 0.818 371 E CB -0.158 29.628 29.700 0.144 0.000 0.758 371 E HN 0.540 nan 8.360 nan 0.000 0.467 372 I N 1.515 122.172 120.570 0.145 0.000 2.252 372 I HA -0.243 3.927 4.170 0.001 0.000 0.245 372 I C 2.282 178.583 176.117 0.306 0.000 1.102 372 I CA 1.468 62.879 61.300 0.186 0.000 1.385 372 I CB -0.182 37.828 38.000 0.017 0.000 1.064 372 I HN -0.019 nan 8.210 nan 0.000 0.414 373 K N 0.223 120.722 120.400 0.165 0.000 2.063 373 K HA -0.303 4.017 4.320 0.001 0.000 0.208 373 K C 2.238 178.879 176.600 0.068 0.000 1.048 373 K CA 2.056 58.414 56.287 0.119 0.000 0.928 373 K CB -0.352 32.179 32.500 0.053 0.000 0.713 373 K HN 0.571 nan 8.250 nan 0.000 0.442 374 Q N -0.646 119.139 119.800 -0.026 0.000 2.226 374 Q HA -0.137 4.203 4.340 0.001 0.000 0.204 374 Q C 0.666 176.496 176.000 -0.283 0.000 0.975 374 Q CA 1.448 57.107 55.803 -0.240 0.000 0.866 374 Q CB 0.057 28.517 28.738 -0.464 0.000 0.915 374 Q HN 0.408 nan 8.270 nan 0.000 0.440 375 F N 0.555 120.657 119.950 0.253 0.000 2.661 375 F HA 0.165 4.692 4.527 0.000 0.000 0.306 375 F C 1.418 177.409 175.800 0.318 0.000 1.094 375 F CA -0.398 57.838 58.000 0.393 0.000 1.254 375 F CB 0.228 39.486 39.000 0.431 0.000 1.040 375 F HN 0.185 nan 8.300 nan 0.000 0.562 376 N N 2.411 121.295 118.700 0.307 0.000 2.348 376 N HA -0.250 4.491 4.740 0.001 0.000 0.185 376 N C 1.650 177.003 175.510 -0.262 0.000 1.019 376 N CA 1.219 54.245 53.050 -0.041 0.000 0.880 376 N CB -0.595 37.942 38.487 0.084 0.000 0.965 376 N HN 0.450 nan 8.380 nan 0.000 0.437 377 R N -0.632 119.757 120.500 -0.185 0.000 2.293 377 R HA -0.036 4.305 4.340 0.001 0.000 0.219 377 R C 0.602 176.612 176.300 -0.484 0.000 1.091 377 R CA 0.919 56.812 56.100 -0.344 0.000 1.004 377 R CB -0.682 29.368 30.300 -0.417 0.000 0.865 377 R HN 0.210 nan 8.270 nan 0.000 0.469 378 F N 0.391 120.231 119.950 -0.183 0.000 2.695 378 F HA 0.407 4.934 4.527 0.000 0.000 0.303 378 F C 2.254 177.803 175.800 -0.418 0.000 1.091 378 F CA 0.018 57.923 58.000 -0.157 0.000 1.300 378 F CB 0.439 39.438 39.000 -0.002 0.000 1.071 378 F HN 0.069 nan 8.300 nan 0.000 0.578 379 A N -0.548 121.772 122.820 -0.834 0.000 2.084 379 A HA -0.195 4.125 4.320 0.001 0.000 0.221 379 A C 1.420 178.438 177.584 -0.943 0.000 1.161 379 A CA 1.668 52.751 52.037 -1.590 0.000 0.653 379 A CB -0.677 17.302 19.000 -1.702 0.000 0.802 379 A HN 0.446 nan 8.150 nan 0.000 0.457 380 H N -2.126 116.818 119.070 -0.210 0.000 2.785 380 H HA 0.168 4.724 4.556 0.001 0.000 0.268 380 H C -0.813 174.502 175.328 -0.022 0.000 1.153 380 H CA 0.019 56.017 56.048 -0.082 0.000 1.111 380 H CB 0.462 30.170 29.762 -0.090 0.000 1.633 380 H HN 0.454 nan 8.280 nan 0.000 0.576 381 D N 1.244 121.711 120.400 0.111 0.000 2.456 381 D HA 0.202 4.843 4.640 0.001 0.000 0.287 381 D C -1.929 174.381 176.300 0.015 0.000 1.186 381 D CA -2.287 51.769 54.000 0.092 0.000 0.916 381 D CB 1.123 42.006 40.800 0.139 0.000 1.029 381 D HN -0.024 nan 8.370 nan 0.000 0.498 382 P HA -0.138 nan 4.420 nan 0.000 0.220 382 P C 1.421 178.574 177.300 -0.246 0.000 1.144 382 P CA 0.963 63.758 63.100 -0.509 0.000 0.800 382 P CB 0.156 31.674 31.700 -0.304 0.000 0.772 383 M N -1.697 117.852 119.600 -0.086 0.000 2.334 383 M HA 0.116 4.596 4.480 0.001 0.000 0.266 383 M C 1.137 177.445 176.300 0.013 0.000 1.082 383 M CA 0.120 55.403 55.300 -0.029 0.000 1.141 383 M CB -1.352 31.245 32.600 -0.006 0.000 1.380 383 M HN -0.215 nan 8.290 nan 0.000 0.440 384 A N 0.193 123.056 122.820 0.070 0.000 2.407 384 A HA 0.479 4.800 4.320 0.001 0.000 0.248 384 A C 1.530 179.125 177.584 0.018 0.000 1.082 384 A CA 0.334 52.434 52.037 0.104 0.000 0.785 384 A CB -0.075 19.098 19.000 0.289 0.000 1.020 384 A HN 0.512 nan 8.150 nan 0.000 0.489 385 G N 1.386 110.153 108.800 -0.055 0.000 2.443 385 G HA2 0.027 3.988 3.960 0.001 0.000 0.219 385 G HA3 0.027 3.988 3.960 0.001 0.000 0.219 385 G C 1.268 175.975 174.900 -0.321 0.000 1.131 385 G CA 1.090 46.113 45.100 -0.128 0.000 0.775 385 G HN 1.156 nan 8.290 nan 0.000 0.547 386 G N -0.357 108.028 108.800 -0.691 0.000 2.498 386 G HA2 -0.193 3.768 3.960 0.001 0.000 0.219 386 G HA3 -0.193 3.768 3.960 0.001 0.000 0.219 386 G C 1.405 175.757 174.900 -0.914 0.000 1.119 386 G CA 1.081 45.213 45.100 -1.612 0.000 0.766 386 G HN 0.620 nan 8.290 nan 0.000 0.552 387 H N 0.086 118.940 119.070 -0.361 0.000 2.423 387 H HA 0.100 4.657 4.556 0.001 0.000 0.297 387 H C 2.492 177.838 175.328 0.030 0.000 1.075 387 H CA 1.304 57.367 56.048 0.026 0.000 1.342 387 H CB 0.012 29.820 29.762 0.076 0.000 1.395 387 H HN 0.298 nan 8.280 nan 0.000 0.530 388 R N -0.384 120.098 120.500 -0.030 0.000 2.092 388 R HA -0.103 4.238 4.340 0.001 0.000 0.231 388 R C 1.666 177.833 176.300 -0.222 0.000 1.119 388 R CA 1.410 57.464 56.100 -0.076 0.000 0.970 388 R CB 0.049 30.298 30.300 -0.085 0.000 0.864 388 R HN 0.329 nan 8.270 nan 0.000 0.440 389 M N -0.743 118.616 119.600 -0.402 0.000 2.117 389 M HA -0.193 4.288 4.480 0.001 0.000 0.262 389 M C 1.909 177.898 176.300 -0.518 0.000 1.065 389 M CA 1.211 56.097 55.300 -0.689 0.000 1.114 389 M CB -1.210 30.539 32.600 -1.419 0.000 1.361 389 M HN 0.313 nan 8.290 nan 0.000 0.408 390 W N 1.633 122.658 121.300 -0.458 0.000 2.379 390 W HA -0.192 4.469 4.660 0.001 0.000 0.307 390 W C 2.581 178.976 176.519 -0.206 0.000 1.200 390 W CA 1.855 59.091 57.345 -0.181 0.000 1.297 390 W CB -0.589 28.806 29.460 -0.109 0.000 1.140 390 W HN 0.330 nan 8.180 nan 0.000 0.507 391 Q N -0.242 119.391 119.800 -0.279 0.000 2.050 391 Q HA -0.295 4.045 4.340 0.001 0.000 0.202 391 Q C 2.263 178.068 176.000 -0.326 0.000 0.980 391 Q CA 2.210 57.777 55.803 -0.393 0.000 0.840 391 Q CB -0.509 28.131 28.738 -0.163 0.000 0.898 391 Q HN 0.302 nan 8.270 nan 0.000 0.424 392 M N 0.259 119.716 119.600 -0.238 0.000 2.159 392 M HA -0.116 4.364 4.480 0.001 0.000 0.263 392 M C 1.868 178.055 176.300 -0.189 0.000 1.063 392 M CA 1.915 57.102 55.300 -0.188 0.000 1.110 392 M CB -0.475 32.023 32.600 -0.170 0.000 1.374 392 M HN 0.233 nan 8.290 nan 0.000 0.411 393 A N -0.450 122.244 122.820 -0.211 0.000 1.940 393 A HA -0.012 4.309 4.320 0.001 0.000 0.219 393 A C 2.359 179.822 177.584 -0.203 0.000 1.176 393 A CA 1.812 53.762 52.037 -0.144 0.000 0.631 393 A CB -1.820 17.153 19.000 -0.044 0.000 0.814 393 A HN 0.630 nan 8.150 nan 0.000 0.446 394 G N -0.490 108.103 108.800 -0.345 0.000 2.418 394 G HA2 -0.175 3.785 3.960 0.001 0.000 0.217 394 G HA3 -0.175 3.785 3.960 0.001 0.000 0.217 394 G C 1.560 176.339 174.900 -0.202 0.000 1.158 394 G CA 0.883 45.786 45.100 -0.327 0.000 0.771 394 G HN 0.431 nan 8.290 nan 0.000 0.545 395 L N -0.048 121.066 121.223 -0.181 0.000 2.017 395 L HA -0.049 4.292 4.340 0.001 0.000 0.208 395 L C 2.910 179.724 176.870 -0.093 0.000 1.073 395 L CA 1.746 56.513 54.840 -0.121 0.000 0.745 395 L CB -0.307 41.687 42.059 -0.109 0.000 0.894 395 L HN 0.216 nan 8.230 nan 0.000 0.432 396 K N -0.374 119.971 120.400 -0.091 0.000 2.097 396 K HA -0.145 4.176 4.320 0.001 0.000 0.206 396 K C 2.062 178.627 176.600 -0.058 0.000 1.049 396 K CA 1.325 57.574 56.287 -0.063 0.000 0.933 396 K CB -0.195 32.275 32.500 -0.051 0.000 0.717 396 K HN 0.416 nan 8.250 nan 0.000 0.442 397 A N 0.960 123.736 122.820 -0.072 0.000 1.930 397 A HA -0.212 4.108 4.320 0.001 0.000 0.217 397 A C 2.149 179.700 177.584 -0.055 0.000 1.175 397 A CA 1.424 53.425 52.037 -0.060 0.000 0.627 397 A CB -0.395 18.562 19.000 -0.073 0.000 0.815 397 A HN 0.188 nan 8.150 nan 0.000 0.443 398 Q N 0.131 119.891 119.800 -0.065 0.000 2.046 398 Q HA -0.092 4.249 4.340 0.001 0.000 0.200 398 Q C 2.135 178.110 176.000 -0.041 0.000 0.975 398 Q CA 1.880 57.651 55.803 -0.053 0.000 0.836 398 Q CB -0.358 28.345 28.738 -0.059 0.000 0.896 398 Q HN 0.643 nan 8.270 nan 0.000 0.428 399 R N -0.578 119.897 120.500 -0.043 0.000 2.105 399 R HA -0.086 4.254 4.340 0.001 0.000 0.239 399 R C 2.174 178.456 176.300 -0.029 0.000 1.135 399 R CA 1.306 57.386 56.100 -0.034 0.000 0.967 399 R CB -0.449 29.830 30.300 -0.034 0.000 0.861 399 R HN 0.339 nan 8.270 nan 0.000 0.442 400 A N 0.295 123.096 122.820 -0.031 0.000 1.968 400 A HA -0.189 4.132 4.320 0.001 0.000 0.217 400 A C 2.046 179.615 177.584 -0.025 0.000 1.169 400 A CA 1.154 53.175 52.037 -0.027 0.000 0.638 400 A CB -0.266 18.717 19.000 -0.027 0.000 0.812 400 A HN 0.224 nan 8.150 nan 0.000 0.446 401 Q N 0.281 120.065 119.800 -0.026 0.000 2.046 401 Q HA -0.128 4.213 4.340 0.001 0.000 0.200 401 Q C 2.094 178.083 176.000 -0.018 0.000 0.975 401 Q CA 2.738 58.528 55.803 -0.022 0.000 0.836 401 Q CB -0.762 27.962 28.738 -0.023 0.000 0.896 401 Q HN 0.698 nan 8.270 nan 0.000 0.428 402 T N -1.365 113.178 114.554 -0.019 0.000 2.720 402 T HA -0.203 4.148 4.350 0.001 0.000 0.268 402 T C 1.526 176.219 174.700 -0.012 0.000 1.037 402 T CA 1.518 63.609 62.100 -0.014 0.000 1.144 402 T CB -0.618 68.240 68.868 -0.016 0.000 0.864 402 T HN 0.371 nan 8.240 nan 0.000 0.444 403 D N 0.974 121.365 120.400 -0.015 0.000 2.117 403 D HA -0.055 4.586 4.640 0.001 0.000 0.198 403 D C 2.146 178.438 176.300 -0.012 0.000 0.982 403 D CA 0.626 54.619 54.000 -0.013 0.000 0.828 403 D CB -0.445 40.345 40.800 -0.016 0.000 0.967 403 D HN 0.275 nan 8.370 nan 0.000 0.464 404 V N 0.928 120.832 119.914 -0.016 0.000 2.392 404 V HA -0.235 3.886 4.120 0.001 0.000 0.249 404 V C 2.054 178.144 176.094 -0.006 0.000 1.059 404 V CA 1.667 63.957 62.300 -0.017 0.000 1.051 404 V CB -0.613 31.197 31.823 -0.022 0.000 0.658 404 V HN 0.276 nan 8.190 nan 0.000 0.455 405 N N 0.855 119.553 118.700 -0.003 0.000 2.084 405 N HA -0.129 4.612 4.740 0.001 0.000 0.190 405 N C 1.621 177.138 175.510 0.011 0.000 1.030 405 N CA 1.502 54.555 53.050 0.005 0.000 0.849 405 N CB -0.617 37.871 38.487 0.002 0.000 1.012 405 N HN 0.489 nan 8.380 nan 0.000 0.423 406 N N 1.024 119.728 118.700 0.007 0.000 2.120 406 N HA -0.100 4.640 4.740 0.001 0.000 0.188 406 N C 1.612 177.134 175.510 0.019 0.000 1.024 406 N CA 0.902 53.958 53.050 0.010 0.000 0.852 406 N CB -0.236 38.254 38.487 0.004 0.000 1.003 406 N HN 0.161 nan 8.380 nan 0.000 0.424 407 K N 0.926 121.335 120.400 0.015 0.000 2.097 407 K HA -0.079 4.241 4.320 0.001 0.000 0.205 407 K C 2.071 178.707 176.600 0.059 0.000 1.050 407 K CA 0.803 57.103 56.287 0.023 0.000 0.938 407 K CB -0.265 32.231 32.500 -0.007 0.000 0.718 407 K HN 0.086 nan 8.250 nan 0.000 0.442 408 Q N 0.026 119.858 119.800 0.052 0.000 2.079 408 Q HA -0.023 4.317 4.340 0.001 0.000 0.200 408 Q C 1.818 177.889 176.000 0.119 0.000 0.974 408 Q CA 1.898 57.761 55.803 0.099 0.000 0.840 408 Q CB -0.365 28.410 28.738 0.061 0.000 0.898 408 Q HN 0.287 nan 8.270 nan 0.000 0.430 409 A N 0.347 123.206 122.820 0.065 0.000 1.883 409 A HA -0.110 4.210 4.320 0.001 0.000 0.217 409 A C 2.308 179.915 177.584 0.038 0.000 1.186 409 A CA 2.019 54.082 52.037 0.043 0.000 0.624 409 A CB -1.310 17.705 19.000 0.024 0.000 0.822 409 A HN 0.526 nan 8.150 nan 0.000 0.444 410 A N -1.260 121.589 122.820 0.049 0.000 1.908 410 A HA -0.082 4.239 4.320 0.001 0.000 0.218 410 A C 2.071 179.682 177.584 0.045 0.000 1.181 410 A CA 1.736 53.797 52.037 0.040 0.000 0.627 410 A CB -0.731 18.296 19.000 0.045 0.000 0.818 410 A HN 0.770 nan 8.150 nan 0.000 0.445 411 F N 1.173 121.094 119.950 -0.049 0.000 2.186 411 F HA -0.122 4.406 4.527 0.001 0.000 0.299 411 F C 1.661 177.434 175.800 -0.045 0.000 1.090 411 F CA 1.794 59.744 58.000 -0.083 0.000 1.307 411 F CB -0.147 38.782 39.000 -0.119 0.000 1.019 411 F HN 0.226 nan 8.300 nan 0.000 0.489 412 D N 0.566 120.868 120.400 -0.164 0.000 2.144 412 D HA -0.119 4.522 4.640 0.001 0.000 0.200 412 D C 2.421 178.607 176.300 -0.190 0.000 0.978 412 D CA 1.397 55.272 54.000 -0.208 0.000 0.833 412 D CB -0.568 40.214 40.800 -0.031 0.000 0.961 412 D HN 0.392 nan 8.370 nan 0.000 0.470 413 A N 1.204 123.955 122.820 -0.115 0.000 1.902 413 A HA -0.059 4.262 4.320 0.001 0.000 0.217 413 A C 2.326 179.852 177.584 -0.097 0.000 1.181 413 A CA 2.132 54.122 52.037 -0.078 0.000 0.623 413 A CB -0.619 18.358 19.000 -0.039 0.000 0.818 413 A HN 0.235 nan 8.150 nan 0.000 0.443 414 A N -0.226 122.511 122.820 -0.138 0.000 1.930 414 A HA 0.195 4.515 4.320 0.001 0.000 0.217 414 A C 2.474 180.019 177.584 -0.065 0.000 1.175 414 A CA 1.950 53.935 52.037 -0.086 0.000 0.627 414 A CB -0.908 18.045 19.000 -0.078 0.000 0.815 414 A HN 1.009 nan 8.150 nan 0.000 0.443 415 A N -0.019 122.651 122.820 -0.250 0.000 1.898 415 A HA -0.144 4.177 4.320 0.001 0.000 0.216 415 A C 2.095 179.634 177.584 -0.075 0.000 1.181 415 A CA 1.757 53.720 52.037 -0.123 0.000 0.620 415 A CB -0.406 18.401 19.000 -0.321 0.000 0.819 415 A HN 0.535 nan 8.150 nan 0.000 0.442 416 K N -0.624 119.723 120.400 -0.089 0.000 2.148 416 K HA -0.161 4.160 4.320 0.001 0.000 0.204 416 K C 2.072 178.647 176.600 -0.042 0.000 1.050 416 K CA 1.434 57.688 56.287 -0.054 0.000 0.942 416 K CB -0.047 32.424 32.500 -0.047 0.000 0.724 416 K HN 0.537 nan 8.250 nan 0.000 0.446 417 E N 1.862 122.039 120.200 -0.038 0.000 2.047 417 E HA -0.193 4.158 4.350 0.001 0.000 0.191 417 E C 1.828 178.410 176.600 -0.030 0.000 0.987 417 E CA 1.586 57.971 56.400 -0.026 0.000 0.799 417 E CB 0.007 29.699 29.700 -0.014 0.000 0.752 417 E HN 0.112 nan 8.360 nan 0.000 0.449 418 K N -0.237 120.142 120.400 -0.035 0.000 2.103 418 K HA -0.139 4.182 4.320 0.001 0.000 0.207 418 K C 2.296 178.846 176.600 -0.083 0.000 1.048 418 K CA 1.452 57.695 56.287 -0.074 0.000 0.930 418 K CB -0.388 32.018 32.500 -0.157 0.000 0.716 418 K HN 0.141 nan 8.250 nan 0.000 0.444 419 S N 0.606 116.263 115.700 -0.071 0.000 2.355 419 S HA -0.135 4.335 4.470 0.001 0.000 0.222 419 S C 1.302 175.876 174.600 -0.043 0.000 1.031 419 S CA 1.637 59.801 58.200 -0.059 0.000 0.993 419 S CB -0.319 62.853 63.200 -0.046 0.000 0.859 419 S HN 0.351 nan 8.310 nan 0.000 0.453 420 D N 1.543 121.922 120.400 -0.035 0.000 2.144 420 D HA 0.034 4.674 4.640 0.001 0.000 0.199 420 D C 2.187 178.471 176.300 -0.027 0.000 0.984 420 D CA 1.282 55.266 54.000 -0.027 0.000 0.834 420 D CB -0.657 40.130 40.800 -0.022 0.000 0.955 420 D HN 0.483 nan 8.370 nan 0.000 0.465 421 A N 1.034 123.836 122.820 -0.030 0.000 1.933 421 A HA -0.181 4.140 4.320 0.001 0.000 0.218 421 A C 1.797 179.363 177.584 -0.031 0.000 1.175 421 A CA 1.587 53.608 52.037 -0.028 0.000 0.628 421 A CB -0.346 18.637 19.000 -0.028 0.000 0.814 421 A HN 0.028 nan 8.150 nan 0.000 0.444 422 D N 0.113 120.488 120.400 -0.041 0.000 2.117 422 D HA -0.050 4.590 4.640 0.001 0.000 0.197 422 D C 2.229 178.511 176.300 -0.030 0.000 0.987 422 D CA 1.537 55.513 54.000 -0.040 0.000 0.829 422 D CB -0.388 40.380 40.800 -0.052 0.000 0.961 422 D HN 0.425 nan 8.370 nan 0.000 0.460 423 A N 1.017 123.820 122.820 -0.027 0.000 1.898 423 A HA 0.030 4.350 4.320 0.001 0.000 0.216 423 A C 2.311 179.884 177.584 -0.018 0.000 1.181 423 A CA 1.947 53.972 52.037 -0.021 0.000 0.620 423 A CB -0.616 18.372 19.000 -0.019 0.000 0.819 423 A HN 0.221 nan 8.150 nan 0.000 0.442 424 A N -0.226 122.584 122.820 -0.018 0.000 1.902 424 A HA -0.053 4.267 4.320 0.001 0.000 0.217 424 A C 2.131 179.707 177.584 -0.014 0.000 1.181 424 A CA 1.775 53.803 52.037 -0.015 0.000 0.623 424 A CB -0.664 18.328 19.000 -0.014 0.000 0.818 424 A HN 0.799 nan 8.150 nan 0.000 0.443 425 L N -0.120 121.093 121.223 -0.016 0.000 2.046 425 L HA -0.101 4.240 4.340 0.001 0.000 0.208 425 L C 2.507 179.369 176.870 -0.014 0.000 1.077 425 L CA 2.721 57.552 54.840 -0.015 0.000 0.747 425 L CB -0.881 41.167 42.059 -0.018 0.000 0.896 425 L HN 0.334 nan 8.230 nan 0.000 0.432 426 S N -1.680 114.010 115.700 -0.015 0.000 2.368 426 S HA -0.202 4.269 4.470 0.001 0.000 0.225 426 S C 2.240 176.834 174.600 -0.011 0.000 1.030 426 S CA 1.566 59.758 58.200 -0.013 0.000 0.999 426 S CB -0.543 62.648 63.200 -0.014 0.000 0.844 426 S HN 0.661 nan 8.310 nan 0.000 0.459 427 S N 0.453 116.146 115.700 -0.011 0.000 2.368 427 S HA 0.044 4.514 4.470 0.001 0.000 0.224 427 S C 2.068 176.663 174.600 -0.009 0.000 1.029 427 S CA 1.258 59.452 58.200 -0.009 0.000 0.988 427 S CB -0.669 62.525 63.200 -0.009 0.000 0.838 427 S HN 0.682 nan 8.310 nan 0.000 0.462 428 A N 1.893 124.707 122.820 -0.009 0.000 1.902 428 A HA -0.045 4.276 4.320 0.001 0.000 0.217 428 A C 2.218 179.797 177.584 -0.008 0.000 1.181 428 A CA 1.585 53.616 52.037 -0.009 0.000 0.623 428 A CB -0.603 18.391 19.000 -0.010 0.000 0.818 428 A HN 0.511 nan 8.150 nan 0.000 0.443 429 M N -0.160 119.435 119.600 -0.008 0.000 2.106 429 M HA -0.162 4.319 4.480 0.001 0.000 0.259 429 M C 1.985 178.282 176.300 -0.006 0.000 1.068 429 M CA 1.431 56.727 55.300 -0.007 0.000 1.100 429 M CB -1.422 31.173 32.600 -0.008 0.000 1.351 429 M HN 0.490 nan 8.290 nan 0.000 0.404 430 E N 0.305 120.502 120.200 -0.006 0.000 2.007 430 E HA -0.163 4.188 4.350 0.001 0.000 0.194 430 E C 2.025 178.623 176.600 -0.004 0.000 0.999 430 E CA 1.996 58.393 56.400 -0.005 0.000 0.811 430 E CB -0.359 29.338 29.700 -0.005 0.000 0.762 430 E HN 0.592 nan 8.360 nan 0.000 0.450 431 S N 1.320 117.017 115.700 -0.005 0.000 2.387 431 S HA -0.218 4.253 4.470 0.001 0.000 0.230 431 S C 2.024 176.620 174.600 -0.006 0.000 1.035 431 S CA 1.218 59.414 58.200 -0.006 0.000 1.014 431 S CB -0.309 62.887 63.200 -0.007 0.000 0.836 431 S HN 0.092 nan 8.310 nan 0.000 0.466 432 R N 1.663 122.159 120.500 -0.007 0.000 2.096 432 R HA -0.066 4.275 4.340 0.001 0.000 0.235 432 R C 2.264 178.561 176.300 -0.005 0.000 1.127 432 R CA 1.879 57.975 56.100 -0.007 0.000 0.968 432 R CB -0.511 29.785 30.300 -0.007 0.000 0.861 432 R HN 0.494 nan 8.270 nan 0.000 0.440 433 K N 1.018 121.416 120.400 -0.003 0.000 2.057 433 K HA -0.076 4.244 4.320 0.001 0.000 0.206 433 K C 1.860 178.460 176.600 0.000 0.000 1.050 433 K CA 1.488 57.774 56.287 -0.001 0.000 0.935 433 K CB -0.044 32.455 32.500 -0.000 0.000 0.715 433 K HN -0.039 nan 8.250 nan 0.000 0.439 434 K N 0.992 121.392 120.400 -0.001 0.000 2.063 434 K HA -0.106 4.214 4.320 0.001 0.000 0.208 434 K C 1.908 178.508 176.600 -0.000 0.000 1.048 434 K CA 1.158 57.445 56.287 0.000 0.000 0.928 434 K CB -0.208 32.291 32.500 -0.001 0.000 0.713 434 K HN 0.123 nan 8.250 nan 0.000 0.442 435 K N 1.389 121.786 120.400 -0.005 0.000 2.097 435 K HA -0.115 4.206 4.320 0.001 0.000 0.206 435 K C 2.076 178.672 176.600 -0.007 0.000 1.049 435 K CA 1.099 57.380 56.287 -0.009 0.000 0.933 435 K CB -0.094 32.396 32.500 -0.015 0.000 0.717 435 K HN 0.340 nan 8.250 nan 0.000 0.442 436 E N 0.699 120.898 120.200 -0.002 0.000 2.077 436 E HA -0.167 4.184 4.350 0.001 0.000 0.193 436 E C 1.581 178.189 176.600 0.012 0.000 0.989 436 E CA 1.144 57.546 56.400 0.004 0.000 0.800 436 E CB 0.068 29.771 29.700 0.005 0.000 0.746 436 E HN 0.270 nan 8.360 nan 0.000 0.452 437 D N 0.512 120.920 120.400 0.012 0.000 2.097 437 D HA -0.161 4.479 4.640 0.001 0.000 0.197 437 D C 1.812 178.125 176.300 0.022 0.000 0.984 437 D CA 0.874 54.885 54.000 0.017 0.000 0.826 437 D CB -0.182 40.626 40.800 0.013 0.000 0.973 437 D HN 0.064 nan 8.370 nan 0.000 0.460 438 K N 1.289 121.699 120.400 0.016 0.000 2.044 438 K HA -0.220 4.100 4.320 0.001 0.000 0.210 438 K C 2.027 178.645 176.600 0.029 0.000 1.049 438 K CA 1.492 57.790 56.287 0.018 0.000 0.927 438 K CB -0.018 32.485 32.500 0.005 0.000 0.713 438 K HN -0.068 nan 8.250 nan 0.000 0.443 439 K N 0.397 120.808 120.400 0.018 0.000 2.283 439 K HA -0.136 4.185 4.320 0.001 0.000 0.202 439 K C 2.004 178.666 176.600 0.105 0.000 1.048 439 K CA 1.065 57.370 56.287 0.031 0.000 0.948 439 K CB 0.090 32.582 32.500 -0.014 0.000 0.742 439 K HN 0.138 nan 8.250 nan 0.000 0.458 440 R N -0.313 120.232 120.500 0.074 0.000 2.073 440 R HA 0.010 4.351 4.340 0.001 0.000 0.229 440 R C 2.351 178.697 176.300 0.076 0.000 1.120 440 R CA 1.463 57.609 56.100 0.077 0.000 0.967 440 R CB -0.058 30.271 30.300 0.048 0.000 0.862 440 R HN 0.087 nan 8.270 nan 0.000 0.436 441 S N 0.612 116.351 115.700 0.064 0.000 2.399 441 S HA -0.105 4.365 4.470 0.001 0.000 0.231 441 S C 1.915 176.562 174.600 0.079 0.000 1.022 441 S CA 1.180 59.414 58.200 0.057 0.000 0.983 441 S CB 0.011 63.237 63.200 0.044 0.000 0.803 441 S HN 0.452 nan 8.310 nan 0.000 0.480 442 A N 1.365 124.257 122.820 0.120 0.000 1.874 442 A HA 0.010 4.331 4.320 0.001 0.000 0.214 442 A C 1.972 179.689 177.584 0.221 0.000 1.189 442 A CA 1.242 53.388 52.037 0.182 0.000 0.615 442 A CB -0.526 18.606 19.000 0.220 0.000 0.830 442 A HN 0.514 nan 8.150 nan 0.000 0.443 443 E N 0.095 120.462 120.200 0.279 0.000 2.204 443 E HA -0.172 4.179 4.350 0.001 0.000 0.195 443 E C 1.718 178.303 176.600 -0.026 0.000 0.990 443 E CA 1.322 57.764 56.400 0.070 0.000 0.821 443 E CB -0.189 29.620 29.700 0.182 0.000 0.750 443 E HN 0.778 nan 8.360 nan 0.000 0.477 444 N N -0.170 118.548 118.700 0.028 0.000 2.148 444 N HA -0.071 4.669 4.740 0.001 0.000 0.186 444 N C 1.776 177.287 175.510 0.002 0.000 1.031 444 N CA 0.548 53.603 53.050 0.008 0.000 0.848 444 N CB -0.002 38.498 38.487 0.022 0.000 1.005 444 N HN 0.082 nan 8.380 nan 0.000 0.427 445 N N 1.654 120.367 118.700 0.022 0.000 2.205 445 N HA -0.137 4.603 4.740 0.001 0.000 0.186 445 N C 1.684 177.199 175.510 0.008 0.000 1.015 445 N CA 0.508 53.570 53.050 0.021 0.000 0.862 445 N CB -0.247 38.263 38.487 0.039 0.000 0.986 445 N HN 0.254 nan 8.380 nan 0.000 0.429 446 L N 1.418 122.634 121.223 -0.011 0.000 2.083 446 L HA -0.123 4.217 4.340 0.001 0.000 0.209 446 L C 1.209 178.048 176.870 -0.051 0.000 1.083 446 L CA 1.710 56.524 54.840 -0.044 0.000 0.752 446 L CB -0.852 41.117 42.059 -0.149 0.000 0.899 446 L HN 0.212 nan 8.230 nan 0.000 0.433 447 N N -0.647 118.020 118.700 -0.055 0.000 2.250 447 N HA -0.142 4.598 4.740 0.001 0.000 0.181 447 N C 1.283 176.782 175.510 -0.020 0.000 1.017 447 N CA 0.919 53.944 53.050 -0.042 0.000 0.866 447 N CB 0.133 38.594 38.487 -0.044 0.000 0.985 447 N HN 0.364 nan 8.380 nan 0.000 0.429 448 D N 1.260 121.653 120.400 -0.012 0.000 2.104 448 D HA -0.158 4.482 4.640 0.001 0.000 0.194 448 D C 1.502 177.802 176.300 -0.001 0.000 0.994 448 D CA 1.300 55.297 54.000 -0.004 0.000 0.830 448 D CB -0.093 40.708 40.800 0.002 0.000 0.959 448 D HN 0.211 nan 8.370 nan 0.000 0.452 449 E N 0.463 120.665 120.200 0.002 0.000 2.358 449 E HA -0.036 4.315 4.350 0.001 0.000 0.195 449 E C 1.697 178.302 176.600 0.008 0.000 1.010 449 E CA 0.458 56.863 56.400 0.008 0.000 0.856 449 E CB 0.131 29.841 29.700 0.017 0.000 0.795 449 E HN 0.085 nan 8.360 nan 0.000 0.504 450 K N -0.435 119.966 120.400 0.001 0.000 2.361 450 K HA 0.049 4.370 4.320 0.001 0.000 0.196 450 K C 0.754 177.354 176.600 0.001 0.000 1.039 450 K CA 0.490 56.778 56.287 0.002 0.000 1.001 450 K CB 0.226 32.720 32.500 -0.011 0.000 0.795 450 K HN 0.003 nan 8.250 nan 0.000 0.495 451 N N 0.324 119.023 118.700 -0.002 0.000 2.353 451 N HA 0.018 4.759 4.740 0.001 0.000 0.185 451 N C -0.610 174.899 175.510 -0.002 0.000 1.098 451 N CA 0.276 53.324 53.050 -0.003 0.000 0.872 451 N CB 0.490 38.974 38.487 -0.005 0.000 0.970 451 N HN -0.004 nan 8.380 nan 0.000 0.467 452 K N 0.888 121.288 120.400 -0.001 0.000 2.138 452 K HA 0.282 4.603 4.320 0.001 0.000 0.251 452 K C -2.372 174.225 176.600 -0.004 0.000 1.015 452 K CA -1.455 54.830 56.287 -0.003 0.000 0.917 452 K CB 0.248 32.745 32.500 -0.004 0.000 1.021 452 K HN -0.091 nan 8.250 nan 0.000 0.485 453 P HA 0.142 nan 4.420 nan 0.000 0.281 453 P C -1.301 175.989 177.300 -0.017 0.000 1.252 453 P CA -0.425 62.666 63.100 -0.014 0.000 0.778 453 P CB 0.637 32.323 31.700 -0.023 0.000 0.895 454 R N 1.855 122.351 120.500 -0.008 0.000 2.445 454 R HA 0.512 4.853 4.340 0.001 0.000 0.308 454 R C -0.399 175.890 176.300 -0.019 0.000 0.961 454 R CA -1.018 55.081 56.100 -0.000 0.000 0.862 454 R CB 1.466 31.786 30.300 0.034 0.000 1.144 454 R HN 0.340 nan 8.270 nan 0.000 0.447 455 K N 1.987 122.348 120.400 -0.065 0.000 2.249 455 K HA 0.380 4.701 4.320 0.001 0.000 0.280 455 K C 0.041 176.616 176.600 -0.042 0.000 1.033 455 K CA -0.653 55.546 56.287 -0.146 0.000 0.946 455 K CB 1.331 33.606 32.500 -0.375 0.000 1.005 455 K HN 0.719 nan 8.250 nan 0.000 0.469 456 G N 1.348 110.137 108.800 -0.017 0.000 2.621 456 G HA2 0.055 4.015 3.960 0.001 0.000 0.271 456 G HA3 0.055 4.015 3.960 0.001 0.000 0.271 456 G C 0.068 175.108 174.900 0.233 0.000 1.236 456 G CA -0.834 44.335 45.100 0.115 0.000 0.958 456 G HN 0.711 nan 8.290 nan 0.000 0.512 457 F N 0.188 120.233 119.950 0.158 0.000 2.095 457 F HA -0.093 4.435 4.527 0.001 0.000 0.298 457 F C 2.603 178.471 175.800 0.114 0.000 1.104 457 F CA 2.210 60.330 58.000 0.201 0.000 1.232 457 F CB -0.080 38.983 39.000 0.105 0.000 0.987 457 F HN 0.488 nan 8.300 nan 0.000 0.475 458 K N 0.152 120.462 120.400 -0.151 0.000 2.152 458 K HA -0.201 4.119 4.320 0.001 0.000 0.206 458 K C 1.808 178.122 176.600 -0.478 0.000 1.048 458 K CA 1.855 57.912 56.287 -0.383 0.000 0.933 458 K CB -0.306 32.056 32.500 -0.230 0.000 0.721 458 K HN 0.296 nan 8.250 nan 0.000 0.447 459 D N -0.337 119.875 120.400 -0.314 0.000 2.097 459 D HA -0.168 4.472 4.640 0.001 0.000 0.195 459 D C 1.763 177.877 176.300 -0.310 0.000 0.989 459 D CA 1.262 55.064 54.000 -0.329 0.000 0.827 459 D CB -0.261 40.336 40.800 -0.339 0.000 0.966 459 D HN 0.281 nan 8.370 nan 0.000 0.456 460 Y N 1.203 121.372 120.300 -0.218 0.000 2.224 460 Y HA -0.064 4.486 4.550 0.001 0.000 0.289 460 Y C 2.606 178.395 175.900 -0.186 0.000 1.146 460 Y CA 1.237 59.242 58.100 -0.158 0.000 1.182 460 Y CB -0.692 37.704 38.460 -0.108 0.000 0.983 460 Y HN -0.010 nan 8.280 nan 0.000 0.524 461 G N -2.145 106.513 108.800 -0.237 0.000 2.708 461 G HA2 -0.170 3.790 3.960 0.001 0.000 0.210 461 G HA3 -0.170 3.790 3.960 0.001 0.000 0.210 461 G C 0.960 175.896 174.900 0.060 0.000 1.141 461 G CA 0.638 45.617 45.100 -0.202 0.000 0.788 461 G HN 0.563 nan 8.290 nan 0.000 0.531 462 H N -1.290 117.718 119.070 -0.102 0.000 2.893 462 H HA 0.101 4.658 4.556 0.001 0.000 0.270 462 H C 1.117 176.347 175.328 -0.162 0.000 1.095 462 H CA -0.484 55.498 56.048 -0.110 0.000 1.186 462 H CB 0.818 30.510 29.762 -0.116 0.000 1.562 462 H HN 0.169 nan 8.280 nan 0.000 0.536 463 D N 0.475 120.850 120.400 -0.041 0.000 2.178 463 D HA -0.096 4.544 4.640 0.001 0.000 0.202 463 D C -0.171 175.814 176.300 -0.525 0.000 0.974 463 D CA 1.445 55.283 54.000 -0.270 0.000 0.841 463 D CB 0.323 40.986 40.800 -0.229 0.000 0.953 463 D HN 0.318 nan 8.370 nan 0.000 0.478 464 Y N -0.761 119.508 120.300 -0.052 0.000 2.570 464 Y HA 0.245 4.795 4.550 0.001 0.000 0.345 464 Y C 0.525 176.398 175.900 -0.045 0.000 1.014 464 Y CA -1.061 57.000 58.100 -0.064 0.000 1.063 464 Y CB 1.130 39.620 38.460 0.051 0.000 1.272 464 Y HN -0.110 nan 8.280 nan 0.000 0.477 465 H N 2.025 121.302 119.070 0.345 0.000 2.803 465 H HA 0.160 4.716 4.556 0.001 0.000 0.330 465 H C -2.297 173.317 175.328 0.476 0.000 1.057 465 H CA -1.592 54.674 56.048 0.363 0.000 1.458 465 H CB 0.671 30.672 29.762 0.399 0.000 1.470 465 H HN 0.285 nan 8.280 nan 0.000 0.560 466 P HA 0.063 nan 4.420 nan 0.000 0.269 466 P C -0.572 176.746 177.300 0.029 0.000 1.209 466 P CA -0.215 63.014 63.100 0.215 0.000 0.776 466 P CB 0.623 32.397 31.700 0.123 0.000 0.876 467 A N 4.308 126.978 122.820 -0.251 0.000 2.354 467 A HA 0.534 4.855 4.320 0.001 0.000 0.269 467 A C -2.061 175.187 177.584 -0.561 0.000 1.109 467 A CA -1.165 50.326 52.037 -0.911 0.000 0.800 467 A CB -0.973 17.715 19.000 -0.520 0.000 1.045 467 A HN 0.415 nan 8.150 nan 0.000 0.489 468 P HA 0.198 nan 4.420 nan 0.000 0.272 468 P C -0.538 176.649 177.300 -0.189 0.000 1.240 468 P CA -0.309 62.557 63.100 -0.390 0.000 0.791 468 P CB 0.478 31.901 31.700 -0.460 0.000 0.978 469 K N 0.996 121.327 120.400 -0.115 0.000 2.249 469 K HA 0.125 4.446 4.320 0.001 0.000 0.280 469 K C 1.254 177.827 176.600 -0.046 0.000 1.033 469 K CA -0.040 56.234 56.287 -0.021 0.000 0.946 469 K CB 0.361 32.849 32.500 -0.020 0.000 1.005 469 K HN 0.406 nan 8.250 nan 0.000 0.469 470 T N 2.528 117.138 114.554 0.092 0.000 2.624 470 T HA -0.225 4.125 4.350 0.001 0.000 0.266 470 T C 1.241 175.892 174.700 -0.082 0.000 1.050 470 T CA 2.264 64.401 62.100 0.062 0.000 1.163 470 T CB -0.182 68.847 68.868 0.268 0.000 0.861 470 T HN 0.679 nan 8.240 nan 0.000 0.443 471 E N 1.047 121.227 120.200 -0.033 0.000 2.526 471 E HA 0.057 4.408 4.350 0.001 0.000 0.198 471 E C 1.225 177.778 176.600 -0.080 0.000 1.091 471 E CA 0.626 56.995 56.400 -0.051 0.000 0.880 471 E CB -0.566 29.122 29.700 -0.020 0.000 0.873 471 E HN 0.551 nan 8.360 nan 0.000 0.527 472 N N 0.071 118.703 118.700 -0.113 0.000 2.197 472 N HA 0.208 4.949 4.740 0.001 0.000 0.201 472 N C -0.374 175.042 175.510 -0.157 0.000 1.148 472 N CA -0.256 52.725 53.050 -0.114 0.000 0.883 472 N CB 0.548 38.975 38.487 -0.100 0.000 1.012 472 N HN 0.137 nan 8.380 nan 0.000 0.507 473 I N 2.631 123.061 120.570 -0.234 0.000 2.421 473 I HA 0.041 4.211 4.170 0.001 0.000 0.291 473 I C -0.056 175.929 176.117 -0.220 0.000 1.089 473 I CA 0.238 61.367 61.300 -0.284 0.000 1.354 473 I CB 0.264 37.976 38.000 -0.481 0.000 1.413 473 I HN -0.144 nan 8.210 nan 0.000 0.513 474 K N 4.235 124.539 120.400 -0.161 0.000 2.166 474 K HA 0.538 4.858 4.320 0.001 0.000 0.245 474 K C 0.797 177.321 176.600 -0.126 0.000 0.967 474 K CA -0.434 55.778 56.287 -0.126 0.000 0.863 474 K CB 1.583 34.035 32.500 -0.081 0.000 1.107 474 K HN 0.793 nan 8.250 nan 0.000 0.436 475 G N 0.554 109.287 108.800 -0.112 0.000 2.159 475 G HA2 -0.230 3.731 3.960 0.001 0.000 0.256 475 G HA3 -0.230 3.731 3.960 0.001 0.000 0.256 475 G C 0.287 175.094 174.900 -0.154 0.000 0.977 475 G CA 0.306 45.346 45.100 -0.102 0.000 0.652 475 G HN 0.458 nan 8.290 nan 0.000 0.531 476 L N -0.028 121.061 121.223 -0.223 0.000 3.184 476 L HA 0.526 4.867 4.340 0.001 0.000 0.283 476 L C 1.522 178.262 176.870 -0.217 0.000 1.218 476 L CA 0.086 54.745 54.840 -0.302 0.000 1.028 476 L CB 0.196 41.898 42.059 -0.596 0.000 1.400 476 L HN 1.062 nan 8.230 nan 0.000 0.591 477 G N 0.848 109.560 108.800 -0.148 0.000 2.698 477 G HA2 -0.264 3.696 3.960 0.001 0.000 0.233 477 G HA3 -0.264 3.696 3.960 0.001 0.000 0.233 477 G C -0.674 174.165 174.900 -0.101 0.000 1.352 477 G CA -0.543 44.498 45.100 -0.098 0.000 0.879 477 G HN 0.269 nan 8.290 nan 0.000 0.567 478 D N 0.484 120.849 120.400 -0.058 0.000 2.401 478 D HA 0.480 5.120 4.640 0.001 0.000 0.254 478 D C 0.722 177.005 176.300 -0.028 0.000 1.192 478 D CA 0.532 54.508 54.000 -0.039 0.000 0.885 478 D CB 0.476 41.269 40.800 -0.011 0.000 1.147 478 D HN 0.534 nan 8.370 nan 0.000 0.478 479 L N 2.817 124.021 121.223 -0.032 0.000 2.334 479 L HA 0.519 4.860 4.340 0.001 0.000 0.273 479 L C 0.160 177.110 176.870 0.133 0.000 1.013 479 L CA -0.843 54.014 54.840 0.027 0.000 0.816 479 L CB 1.641 43.639 42.059 -0.102 0.000 1.278 479 L HN 0.179 nan 8.230 nan 0.000 0.431 480 K N 3.098 123.626 120.400 0.214 0.000 2.443 480 K HA 0.514 4.835 4.320 0.001 0.000 0.252 480 K C -2.677 174.072 176.600 0.249 0.000 0.933 480 K CA -1.786 54.620 56.287 0.198 0.000 0.792 480 K CB 2.623 35.193 32.500 0.117 0.000 1.185 480 K HN 0.141 nan 8.250 nan 0.000 0.425 481 P HA 0.092 nan 4.420 nan 0.000 0.268 481 P C -0.765 176.506 177.300 -0.048 0.000 1.208 481 P CA -0.152 62.909 63.100 -0.065 0.000 0.777 481 P CB 0.781 32.409 31.700 -0.119 0.000 0.875 482 G N 1.363 110.092 108.800 -0.120 0.000 2.563 482 G HA2 0.523 4.484 3.960 0.001 0.000 0.302 482 G HA3 0.523 4.484 3.960 0.001 0.000 0.302 482 G C -0.739 174.109 174.900 -0.088 0.000 1.301 482 G CA -0.886 44.183 45.100 -0.051 0.000 0.965 482 G HN 0.410 nan 8.290 nan 0.000 0.480 483 I N 2.132 122.672 120.570 -0.051 0.000 2.828 483 I HA -0.001 4.170 4.170 0.001 0.000 0.292 483 I C -1.782 174.295 176.117 -0.067 0.000 1.206 483 I CA -0.692 60.575 61.300 -0.055 0.000 1.420 483 I CB 0.780 38.762 38.000 -0.030 0.000 1.368 483 I HN 0.142 nan 8.210 nan 0.000 0.556 484 P HA 0.112 nan 4.420 nan 0.000 0.268 484 P C -0.245 177.002 177.300 -0.089 0.000 1.204 484 P CA 0.020 63.061 63.100 -0.098 0.000 0.768 484 P CB 0.719 32.356 31.700 -0.106 0.000 0.842 485 K N -0.250 120.082 120.400 -0.113 0.000 2.705 485 K HA 0.092 4.413 4.320 0.001 0.000 0.197 485 K C -0.028 176.354 176.600 -0.363 0.000 1.624 485 K CA 0.098 56.299 56.287 -0.144 0.000 1.197 485 K CB 0.092 32.574 32.500 -0.031 0.000 1.603 485 K HN 0.294 nan 8.250 nan 0.000 0.597 486 T N 5.365 119.697 114.554 -0.371 0.000 2.817 486 T HA 0.131 4.482 4.350 0.001 0.000 0.295 486 T C -2.638 171.783 174.700 -0.465 0.000 0.958 486 T CA -0.795 60.932 62.100 -0.622 0.000 1.157 486 T CB 0.764 69.459 68.868 -0.289 0.000 0.898 486 T HN -0.102 nan 8.240 nan 0.000 0.536 487 P HA 0.213 nan 4.420 nan 0.000 0.268 487 P C -0.031 177.162 177.300 -0.178 0.000 1.205 487 P CA -0.432 62.495 63.100 -0.289 0.000 0.771 487 P CB 0.586 32.138 31.700 -0.246 0.000 0.858 488 K N 1.830 122.154 120.400 -0.126 0.000 2.126 488 K HA 0.073 4.394 4.320 0.001 0.000 0.257 488 K C 1.328 177.886 176.600 -0.070 0.000 1.007 488 K CA 0.167 56.396 56.287 -0.096 0.000 0.928 488 K CB 0.479 32.915 32.500 -0.106 0.000 1.013 488 K HN 0.285 nan 8.250 nan 0.000 0.473 489 Q N 0.813 120.583 119.800 -0.051 0.000 2.046 489 Q HA -0.041 4.299 4.340 0.001 0.000 0.200 489 Q C -0.356 175.635 176.000 -0.016 0.000 0.975 489 Q CA 1.520 57.311 55.803 -0.020 0.000 0.836 489 Q CB -0.294 28.445 28.738 0.002 0.000 0.896 489 Q HN 0.512 nan 8.270 nan 0.000 0.428 490 N N -0.443 118.242 118.700 -0.026 0.000 2.272 490 N HA 0.622 5.362 4.740 0.001 0.000 0.305 490 N C -0.364 175.119 175.510 -0.045 0.000 1.103 490 N CA -0.122 52.923 53.050 -0.008 0.000 0.791 490 N CB 2.189 40.711 38.487 0.058 0.000 1.356 490 N HN 0.359 nan 8.380 nan 0.000 0.486 491 G N -0.044 108.741 108.800 -0.026 0.000 2.660 491 G HA2 -0.015 3.945 3.960 0.001 0.000 0.215 491 G HA3 -0.015 3.945 3.960 0.001 0.000 0.215 491 G C 0.222 175.097 174.900 -0.040 0.000 1.345 491 G CA -0.324 44.754 45.100 -0.036 0.000 0.877 491 G HN 0.921 nan 8.290 nan 0.000 0.549 492 G N -0.108 108.670 108.800 -0.037 0.000 3.651 492 G HA2 0.687 4.647 3.960 0.001 0.000 0.279 492 G HA3 0.687 4.647 3.960 0.001 0.000 0.279 492 G C 0.694 175.566 174.900 -0.047 0.000 1.024 492 G CA 1.132 46.210 45.100 -0.037 0.000 0.813 492 G HN 1.500 nan 8.290 nan 0.000 0.518 493 G N 0.065 108.829 108.800 -0.059 0.000 2.537 493 G HA2 0.590 4.551 3.960 0.001 0.000 0.297 493 G HA3 0.590 4.551 3.960 0.001 0.000 0.297 493 G C -0.645 174.204 174.900 -0.085 0.000 1.310 493 G CA -0.696 44.367 45.100 -0.063 0.000 1.027 493 G HN 0.198 nan 8.290 nan 0.000 0.505 494 K N -0.122 120.227 120.400 -0.086 0.000 2.316 494 K HA 0.348 4.669 4.320 0.001 0.000 0.251 494 K C -0.191 176.358 176.600 -0.085 0.000 0.934 494 K CA -0.631 55.588 56.287 -0.112 0.000 0.802 494 K CB 2.451 34.877 32.500 -0.122 0.000 1.171 494 K HN 0.390 nan 8.250 nan 0.000 0.426 495 R N 1.802 122.255 120.500 -0.080 0.000 2.640 495 R HA -0.010 4.331 4.340 0.001 0.000 0.270 495 R C -0.283 176.006 176.300 -0.019 0.000 1.024 495 R CA 0.368 56.462 56.100 -0.010 0.000 1.085 495 R CB 0.160 30.470 30.300 0.018 0.000 0.963 495 R HN 0.306 nan 8.270 nan 0.000 0.426 496 K N 3.038 123.453 120.400 0.024 0.000 2.412 496 K HA 0.017 4.338 4.320 0.001 0.000 0.284 496 K C 0.253 176.733 176.600 -0.199 0.000 1.046 496 K CA 0.269 56.458 56.287 -0.164 0.000 0.999 496 K CB 0.636 33.039 32.500 -0.161 0.000 0.941 496 K HN 0.371 nan 8.250 nan 0.000 0.474 497 R N 3.553 123.847 120.500 -0.344 0.000 2.514 497 R HA 0.331 4.671 4.340 0.001 0.000 0.301 497 R C -1.120 175.030 176.300 -0.250 0.000 0.962 497 R CA -0.588 55.428 56.100 -0.139 0.000 0.882 497 R CB 1.018 31.292 30.300 -0.042 0.000 1.143 497 R HN 0.559 nan 8.270 nan 0.000 0.452 498 W N 1.189 122.603 121.300 0.190 0.000 2.902 498 W HA 0.407 5.067 4.660 0.001 0.000 0.346 498 W C -0.680 175.967 176.519 0.213 0.000 1.139 498 W CA -0.762 56.687 57.345 0.174 0.000 1.139 498 W CB 2.556 32.116 29.460 0.167 0.000 1.439 498 W HN 0.411 nan 8.180 nan 0.000 0.558 499 T N 0.715 115.524 114.554 0.425 0.000 2.861 499 T HA 0.671 5.022 4.350 0.001 0.000 0.287 499 T C -0.127 174.736 174.700 0.271 0.000 1.003 499 T CA -0.239 62.044 62.100 0.305 0.000 0.977 499 T CB 1.849 70.829 68.868 0.186 0.000 0.996 499 T HN 0.582 nan 8.240 nan 0.000 0.448 500 G N 0.719 109.689 108.800 0.284 0.000 2.766 500 G HA2 0.539 4.499 3.960 0.001 0.000 0.288 500 G HA3 0.539 4.499 3.960 0.001 0.000 0.288 500 G C -0.820 174.173 174.900 0.154 0.000 1.408 500 G CA -0.587 44.633 45.100 0.200 0.000 0.852 500 G HN 0.630 nan 8.290 nan 0.000 0.487 501 D N -0.943 119.513 120.400 0.093 0.000 2.803 501 D HA -0.179 4.461 4.640 0.001 0.000 0.233 501 D C 0.727 177.061 176.300 0.058 0.000 1.182 501 D CA 1.344 55.382 54.000 0.063 0.000 0.726 501 D CB -0.553 40.287 40.800 0.067 0.000 0.987 501 D HN 0.844 nan 8.370 nan 0.000 0.412 502 K N 0.095 120.526 120.400 0.051 0.000 3.071 502 K HA -0.154 4.166 4.320 0.001 0.000 0.262 502 K C 1.000 177.632 176.600 0.053 0.000 0.977 502 K CA 2.043 58.357 56.287 0.045 0.000 0.721 502 K CB -1.586 30.933 32.500 0.033 0.000 1.293 502 K HN 1.299 nan 8.250 nan 0.000 0.475 503 G N -0.919 107.924 108.800 0.072 0.000 2.160 503 G HA2 -0.383 3.577 3.960 0.001 0.000 0.251 503 G HA3 -0.383 3.577 3.960 0.001 0.000 0.251 503 G C 0.773 175.713 174.900 0.067 0.000 1.008 503 G CA 0.699 45.844 45.100 0.075 0.000 0.724 503 G HN 0.518 nan 8.290 nan 0.000 0.514 504 R N -0.544 119.995 120.500 0.066 0.000 2.225 504 R HA 0.227 4.567 4.340 0.001 0.000 0.194 504 R C 0.938 177.266 176.300 0.046 0.000 0.957 504 R CA 0.681 56.812 56.100 0.050 0.000 1.042 504 R CB 0.307 30.630 30.300 0.039 0.000 1.004 504 R HN 0.346 nan 8.270 nan 0.000 0.509 505 K N 0.785 121.222 120.400 0.063 0.000 2.221 505 K HA 0.434 4.754 4.320 0.001 0.000 0.258 505 K C -0.848 175.770 176.600 0.031 0.000 0.944 505 K CA -0.423 55.862 56.287 -0.005 0.000 0.823 505 K CB 2.522 35.009 32.500 -0.021 0.000 1.113 505 K HN -0.101 nan 8.250 nan 0.000 0.431 506 I N 3.030 123.566 120.570 -0.058 0.000 2.404 506 I HA 0.317 4.488 4.170 0.001 0.000 0.293 506 I C -1.137 174.983 176.117 0.006 0.000 0.992 506 I CA -0.950 60.410 61.300 0.100 0.000 1.149 506 I CB 0.999 39.092 38.000 0.154 0.000 1.315 506 I HN 0.476 nan 8.210 nan 0.000 0.446 507 Y N 4.058 124.576 120.300 0.363 0.000 2.350 507 Y HA 0.443 4.993 4.550 0.001 0.000 0.338 507 Y C -0.182 176.054 175.900 0.560 0.000 0.961 507 Y CA -0.769 57.588 58.100 0.429 0.000 1.100 507 Y CB 1.570 40.219 38.460 0.314 0.000 1.179 507 Y HN 0.449 nan 8.280 nan 0.000 0.454 508 E N 2.633 123.233 120.200 0.666 0.000 2.212 508 E HA 0.115 4.465 4.350 0.001 0.000 0.268 508 E C -1.295 175.681 176.600 0.627 0.000 0.902 508 E CA -0.959 55.789 56.400 0.579 0.000 0.779 508 E CB 2.177 32.110 29.700 0.387 0.000 1.172 508 E HN 0.642 nan 8.360 nan 0.000 0.409 509 W N 3.995 125.565 121.300 0.450 0.000 2.304 509 W HA 0.073 4.733 4.660 0.001 0.000 0.313 509 W C -0.578 176.096 176.519 0.259 0.000 1.323 509 W CA -0.077 57.502 57.345 0.390 0.000 1.223 509 W CB 0.891 30.622 29.460 0.452 0.000 1.237 509 W HN 0.507 nan 8.180 nan 0.000 0.535 510 D N 3.909 123.988 120.400 -0.535 0.000 2.485 510 D HA 0.031 4.671 4.640 0.001 0.000 0.221 510 D C 1.259 177.102 176.300 -0.761 0.000 1.112 510 D CA -0.105 53.643 54.000 -0.419 0.000 0.911 510 D CB 0.912 41.598 40.800 -0.190 0.000 1.019 510 D HN 0.328 nan 8.370 nan 0.000 0.516 511 S N 2.588 118.032 115.700 -0.427 0.000 2.474 511 S HA -0.194 4.276 4.470 0.001 0.000 0.235 511 S C 1.563 176.300 174.600 0.229 0.000 0.997 511 S CA 0.668 58.868 58.200 0.001 0.000 0.949 511 S CB -0.083 63.294 63.200 0.295 0.000 0.766 511 S HN 0.574 nan 8.310 nan 0.000 0.517 512 Q N -0.201 119.636 119.800 0.061 0.000 2.269 512 Q HA -0.031 4.309 4.340 0.001 0.000 0.201 512 Q C 1.212 177.148 176.000 -0.107 0.000 0.946 512 Q CA 0.945 56.746 55.803 -0.003 0.000 0.877 512 Q CB 0.046 28.649 28.738 -0.225 0.000 0.963 512 Q HN 0.737 nan 8.270 nan 0.000 0.472 513 H N -1.925 117.175 119.070 0.051 0.000 2.827 513 H HA 0.252 4.809 4.556 0.001 0.000 0.269 513 H C 0.536 175.672 175.328 -0.320 0.000 1.031 513 H CA 0.682 56.689 56.048 -0.068 0.000 1.202 513 H CB 1.234 30.933 29.762 -0.105 0.000 1.511 513 H HN 0.342 nan 8.280 nan 0.000 0.517 514 G N 2.518 111.108 108.800 -0.350 0.000 2.324 514 G HA2 -0.236 3.724 3.960 0.001 0.000 0.292 514 G HA3 -0.236 3.724 3.960 0.001 0.000 0.292 514 G C -0.172 174.450 174.900 -0.464 0.000 1.079 514 G CA 0.653 45.447 45.100 -0.510 0.000 1.026 514 G HN 0.616 nan 8.290 nan 0.000 0.506 515 E N -1.038 118.681 120.200 -0.802 0.000 2.423 515 E HA 0.683 5.033 4.350 0.001 0.000 0.280 515 E C -0.663 175.785 176.600 -0.253 0.000 1.030 515 E CA -1.396 54.816 56.400 -0.313 0.000 0.812 515 E CB 1.204 30.827 29.700 -0.128 0.000 1.313 515 E HN 0.189 nan 8.360 nan 0.000 0.456 516 L N 1.111 122.439 121.223 0.176 0.000 2.357 516 L HA 0.397 4.738 4.340 0.001 0.000 0.273 516 L C -0.120 176.958 176.870 0.347 0.000 1.080 516 L CA -0.752 54.315 54.840 0.378 0.000 0.803 516 L CB 1.007 43.365 42.059 0.498 0.000 1.174 516 L HN 0.473 nan 8.230 nan 0.000 0.443 517 E N 1.802 122.232 120.200 0.383 0.000 2.176 517 E HA 0.429 4.779 4.350 0.001 0.000 0.267 517 E C -0.258 176.471 176.600 0.215 0.000 0.893 517 E CA -0.404 56.157 56.400 0.269 0.000 0.761 517 E CB 2.084 31.954 29.700 0.283 0.000 1.133 517 E HN 0.682 nan 8.360 nan 0.000 0.409 518 G N 1.992 110.801 108.800 0.016 0.000 2.389 518 G HA2 0.548 4.508 3.960 0.001 0.000 0.317 518 G HA3 0.548 4.508 3.960 0.001 0.000 0.317 518 G C -1.151 173.447 174.900 -0.504 0.000 1.137 518 G CA -0.203 44.741 45.100 -0.260 0.000 0.870 518 G HN 0.303 nan 8.290 nan 0.000 0.496 519 Y N -0.572 119.638 120.300 -0.151 0.000 2.534 519 Y HA 0.484 5.035 4.550 0.001 0.000 0.345 519 Y C 0.359 176.213 175.900 -0.077 0.000 1.031 519 Y CA -1.071 57.009 58.100 -0.033 0.000 1.022 519 Y CB 2.160 40.649 38.460 0.048 0.000 1.292 519 Y HN 0.602 nan 8.280 nan 0.000 0.459 520 R N 1.335 121.908 120.500 0.123 0.000 2.347 520 R HA 0.523 4.863 4.340 0.001 0.000 0.304 520 R C 0.793 177.140 176.300 0.080 0.000 1.072 520 R CA 0.565 56.703 56.100 0.062 0.000 0.980 520 R CB 0.878 31.208 30.300 0.050 0.000 0.986 520 R HN 0.981 nan 8.270 nan 0.000 0.448 521 A N 3.148 126.001 122.820 0.056 0.000 1.851 521 A HA -0.238 4.083 4.320 0.001 0.000 0.216 521 A C 2.050 179.660 177.584 0.043 0.000 1.195 521 A CA 2.099 54.168 52.037 0.054 0.000 0.622 521 A CB -0.970 18.060 19.000 0.050 0.000 0.831 521 A HN 0.918 nan 8.150 nan 0.000 0.444 522 S N -0.687 115.034 115.700 0.036 0.000 2.368 522 S HA -0.202 4.268 4.470 0.001 0.000 0.225 522 S C 1.769 176.384 174.600 0.026 0.000 1.030 522 S CA 1.611 59.827 58.200 0.027 0.000 0.999 522 S CB -0.430 62.784 63.200 0.023 0.000 0.844 522 S HN 0.633 nan 8.310 nan 0.000 0.459 523 D N 0.969 121.390 120.400 0.035 0.000 2.201 523 D HA 0.100 4.740 4.640 0.001 0.000 0.209 523 D C 1.641 177.970 176.300 0.047 0.000 0.961 523 D CA 1.246 55.268 54.000 0.036 0.000 0.861 523 D CB -0.001 40.823 40.800 0.041 0.000 0.997 523 D HN 0.615 nan 8.370 nan 0.000 0.486 524 G N 1.138 109.984 108.800 0.075 0.000 2.175 524 G HA2 -0.271 3.689 3.960 0.001 0.000 0.244 524 G HA3 -0.271 3.689 3.960 0.001 0.000 0.244 524 G C 0.321 175.342 174.900 0.202 0.000 0.982 524 G CA 0.479 45.638 45.100 0.098 0.000 0.641 524 G HN 0.459 nan 8.290 nan 0.000 0.527 525 Q N 0.758 120.661 119.800 0.172 0.000 2.352 525 Q HA 0.421 4.762 4.340 0.001 0.000 0.260 525 Q C 0.598 176.745 176.000 0.245 0.000 0.976 525 Q CA -0.300 55.618 55.803 0.191 0.000 0.881 525 Q CB 0.185 28.985 28.738 0.103 0.000 1.235 525 Q HN 0.509 nan 8.270 nan 0.000 0.419 526 H N 4.129 123.260 119.070 0.102 0.000 2.928 526 H HA 0.009 4.565 4.556 0.001 0.000 0.338 526 H C 0.147 175.398 175.328 -0.129 0.000 1.047 526 H CA 0.276 56.237 56.048 -0.146 0.000 1.435 526 H CB 0.708 30.393 29.762 -0.128 0.000 1.428 526 H HN 0.692 nan 8.280 nan 0.000 0.590 527 L N 3.901 124.782 121.223 -0.571 0.000 2.537 527 L HA 0.295 4.635 4.340 0.001 0.000 0.224 527 L C 1.132 177.691 176.870 -0.518 0.000 1.065 527 L CA 0.656 55.284 54.840 -0.354 0.000 0.860 527 L CB 0.570 42.556 42.059 -0.123 0.000 1.086 527 L HN 0.902 nan 8.230 nan 0.000 0.482 528 G N -0.742 107.415 108.800 -1.071 0.000 2.369 528 G HA2 -0.002 3.959 3.960 0.001 0.000 0.295 528 G HA3 -0.002 3.959 3.960 0.001 0.000 0.295 528 G C -1.341 173.118 174.900 -0.735 0.000 1.298 528 G CA -0.747 43.815 45.100 -0.897 0.000 0.940 528 G HN -0.145 nan 8.290 nan 0.000 0.536 529 S N -0.206 115.074 115.700 -0.699 0.000 2.462 529 S HA 0.813 5.284 4.470 0.001 0.000 0.294 529 S C -0.980 173.157 174.600 -0.772 0.000 1.144 529 S CA -0.275 57.642 58.200 -0.471 0.000 1.088 529 S CB 0.771 63.829 63.200 -0.235 0.000 1.009 529 S HN 0.507 nan 8.310 nan 0.000 0.484 530 F N 0.933 120.914 119.950 0.052 0.000 2.563 530 F HA 0.359 4.886 4.527 0.001 0.000 0.316 530 F C 0.278 176.108 175.800 0.051 0.000 1.076 530 F CA -1.154 56.879 58.000 0.053 0.000 0.921 530 F CB 1.082 40.140 39.000 0.097 0.000 1.209 530 F HN 0.382 nan 8.300 nan 0.000 0.462 531 D N 3.339 123.855 120.400 0.193 0.000 2.317 531 D HA 0.209 4.850 4.640 0.001 0.000 0.252 531 D C -1.935 174.435 176.300 0.118 0.000 1.174 531 D CA -2.008 52.067 54.000 0.125 0.000 0.866 531 D CB 1.913 42.756 40.800 0.071 0.000 1.127 531 D HN 0.157 nan 8.370 nan 0.000 0.467 532 P HA -0.087 nan 4.420 nan 0.000 0.217 532 P C 0.967 178.253 177.300 -0.022 0.000 1.150 532 P CA 1.262 64.383 63.100 0.034 0.000 0.832 532 P CB 0.368 32.110 31.700 0.069 0.000 0.787 533 K N -1.002 119.403 120.400 0.008 0.000 2.097 533 K HA -0.058 4.262 4.320 0.001 0.000 0.205 533 K C 1.947 178.538 176.600 -0.014 0.000 1.050 533 K CA 2.016 58.297 56.287 -0.010 0.000 0.938 533 K CB -0.511 31.992 32.500 0.006 0.000 0.718 533 K HN 0.323 nan 8.250 nan 0.000 0.442 534 T N -4.828 109.727 114.554 0.002 0.000 3.026 534 T HA 0.233 4.584 4.350 0.001 0.000 0.245 534 T C 1.485 176.186 174.700 0.001 0.000 1.004 534 T CA 0.579 62.680 62.100 0.001 0.000 1.069 534 T CB 0.854 69.731 68.868 0.015 0.000 1.005 534 T HN 0.275 nan 8.240 nan 0.000 0.472 535 G N 1.905 110.720 108.800 0.025 0.000 2.176 535 G HA2 -0.207 3.754 3.960 0.001 0.000 0.232 535 G HA3 -0.207 3.754 3.960 0.001 0.000 0.232 535 G C -0.108 174.875 174.900 0.139 0.000 0.986 535 G CA -0.146 44.971 45.100 0.028 0.000 0.643 535 G HN 0.645 nan 8.290 nan 0.000 0.522 536 N N 0.784 119.560 118.700 0.128 0.000 2.453 536 N HA 0.316 5.056 4.740 0.001 0.000 0.253 536 N C 0.433 176.068 175.510 0.208 0.000 1.252 536 N CA 0.068 53.204 53.050 0.143 0.000 0.917 536 N CB 0.572 39.098 38.487 0.065 0.000 1.117 536 N HN 0.672 nan 8.380 nan 0.000 0.442 537 Q N 1.566 121.460 119.800 0.157 0.000 2.293 537 Q HA 0.126 4.466 4.340 0.001 0.000 0.263 537 Q C 0.272 176.186 176.000 -0.144 0.000 1.002 537 Q CA -0.159 55.598 55.803 -0.077 0.000 0.910 537 Q CB 0.463 29.166 28.738 -0.059 0.000 1.185 537 Q HN 0.596 nan 8.270 nan 0.000 0.401 538 L N 2.931 124.013 121.223 -0.235 0.000 2.298 538 L HA 0.235 4.576 4.340 0.001 0.000 0.209 538 L C 0.465 177.231 176.870 -0.173 0.000 1.084 538 L CA 0.695 55.441 54.840 -0.158 0.000 0.816 538 L CB 0.202 42.180 42.059 -0.135 0.000 0.967 538 L HN 0.554 nan 8.230 nan 0.000 0.460 539 K N -1.044 119.207 120.400 -0.250 0.000 2.532 539 K HA 0.470 4.791 4.320 0.001 0.000 0.265 539 K C -0.461 175.986 176.600 -0.254 0.000 0.948 539 K CA -0.576 55.593 56.287 -0.197 0.000 0.842 539 K CB 2.328 34.734 32.500 -0.157 0.000 1.392 539 K HN -0.061 nan 8.250 nan 0.000 0.436 540 G N 1.244 109.943 108.800 -0.168 0.000 2.543 540 G HA2 0.402 4.363 3.960 0.001 0.000 0.290 540 G HA3 0.402 4.363 3.960 0.001 0.000 0.290 540 G C -2.560 172.241 174.900 -0.166 0.000 1.310 540 G CA -1.163 43.839 45.100 -0.164 0.000 1.025 540 G HN 0.241 nan 8.290 nan 0.000 0.502 541 P HA 0.127 nan 4.420 nan 0.000 0.268 541 P C -0.904 176.420 177.300 0.042 0.000 1.204 541 P CA 0.119 63.145 63.100 -0.124 0.000 0.768 541 P CB 0.801 32.451 31.700 -0.084 0.000 0.842 542 D N 4.285 124.837 120.400 0.253 0.000 2.441 542 D HA 0.207 4.847 4.640 0.001 0.000 0.231 542 D C -1.802 174.574 176.300 0.126 0.000 1.073 542 D CA -2.483 51.616 54.000 0.166 0.000 0.850 542 D CB 1.177 42.047 40.800 0.117 0.000 1.062 542 D HN 0.046 nan 8.370 nan 0.000 0.524 543 P HA -0.129 nan 4.420 nan 0.000 0.217 543 P C 0.770 178.101 177.300 0.052 0.000 1.148 543 P CA 1.231 64.364 63.100 0.055 0.000 0.828 543 P CB 0.324 32.044 31.700 0.032 0.000 0.783 544 K N -1.060 119.362 120.400 0.037 0.000 2.365 544 K HA -0.010 4.310 4.320 0.001 0.000 0.199 544 K C 0.776 177.393 176.600 0.027 0.000 1.045 544 K CA 0.545 56.846 56.287 0.024 0.000 0.962 544 K CB -0.080 32.425 32.500 0.009 0.000 0.759 544 K HN 0.190 nan 8.250 nan 0.000 0.469 545 R N 1.336 121.857 120.500 0.035 0.000 2.474 545 R HA 0.229 4.569 4.340 0.001 0.000 0.295 545 R C -0.585 175.817 176.300 0.171 0.000 0.980 545 R CA -0.579 55.549 56.100 0.046 0.000 0.934 545 R CB 1.105 31.317 30.300 -0.146 0.000 1.101 545 R HN 0.199 nan 8.270 nan 0.000 0.469 546 N N 0.490 119.309 118.700 0.199 0.000 3.265 546 N HA 0.173 4.913 4.740 0.001 0.000 0.235 546 N C -0.821 174.733 175.510 0.074 0.000 1.343 546 N CA -0.909 52.273 53.050 0.219 0.000 0.904 546 N CB 0.846 39.403 38.487 0.116 0.000 1.492 546 N HN 0.542 nan 8.380 nan 0.000 0.504 547 I N -3.046 117.503 120.570 -0.034 0.000 3.491 547 I HA 0.407 4.577 4.170 0.001 0.000 0.332 547 I C 1.148 177.192 176.117 -0.123 0.000 1.565 547 I CA -0.750 60.481 61.300 -0.115 0.000 1.050 547 I CB 0.557 38.385 38.000 -0.287 0.000 1.348 547 I HN 0.614 nan 8.210 nan 0.000 0.506 548 K N 2.459 122.797 120.400 -0.103 0.000 2.103 548 K HA -0.193 4.127 4.320 0.001 0.000 0.207 548 K C 1.987 178.470 176.600 -0.195 0.000 1.048 548 K CA 1.675 57.901 56.287 -0.101 0.000 0.930 548 K CB 0.052 32.512 32.500 -0.067 0.000 0.716 548 K HN 0.449 nan 8.250 nan 0.000 0.444 549 K N -0.376 119.798 120.400 -0.377 0.000 2.442 549 K HA -0.151 4.169 4.320 0.001 0.000 0.198 549 K C -0.086 176.091 176.600 -0.705 0.000 1.044 549 K CA 1.084 57.011 56.287 -0.600 0.000 0.948 549 K CB 0.124 32.110 32.500 -0.857 0.000 0.762 549 K HN 0.236 nan 8.250 nan 0.000 0.472 550 Y N 0.083 120.350 120.300 -0.055 0.000 2.672 550 Y HA 0.295 4.846 4.550 0.001 0.000 0.272 550 Y C -0.733 175.132 175.900 -0.057 0.000 1.055 550 Y CA -1.051 57.014 58.100 -0.059 0.000 1.151 550 Y CB 0.346 38.759 38.460 -0.079 0.000 1.190 550 Y HN -0.143 nan 8.280 nan 0.000 0.574 551 L N 0.000 121.234 121.223 0.018 0.000 2.949 551 L HA 0.000 4.340 4.340 0.001 0.000 0.249 551 L CA 0.000 54.847 54.840 0.012 0.000 0.813 551 L CB 0.000 42.079 42.059 0.033 0.000 0.961 551 L HN 0.000 nan 8.230 nan 0.000 0.502