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 3c1m_1_C DATA FIRST_RESID 2 DATA SEQUENCE TTVMKFGGTS VGSGERIRHV AKIVTKRKKE DDDVVVVVSA MSEVTNALVE DATA SEQUENCE ISQQALDVRD IAKVGDFIKF IREKHYKAIE EAIKSEEIKE EVKKIIDSRI DATA SEQUENCE EELEKVLIGV AYLGELTPKS RDYILSFGER LSSPILSGAI RDLGEKSIAL DATA SEQUENCE EGGEAGIITD NNFGSARVKR LEVKERLLPL LKEGIIPVVT GFIGTTEEGY DATA SEQUENCE ITTLGRGGSD YSAALIGYGL DADIIEIWTD VSGVYTTDPR LVPTARRIPK DATA SEQUENCE LSYIEAMELA YFGAKVLHPR TIEPAMEKGI PILVKNTFEP ESEGTLITND DATA SEQUENCE MEMSDSIVKA ISTIKNVALI NIFGAGMVGV SGTAARIFKA LGEEEVNVIL DATA SEQUENCE ISQGSSETNI SLVVSEEDVD KALKALKREF GDXGKKSFLN NNLIRDVSVD DATA SEQUENCE KDVCVISVVG AGMRGAKGIA GKIFTAVSES GANIKMIAQG SSEVNISFVI DATA SEQUENCE DEKDLLNCVR KLHEKFIEK 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.719 174.700 0.031 0.000 1.109 2 T CA 0.000 62.112 62.100 0.021 0.000 1.349 2 T CB 0.000 68.876 68.868 0.013 0.000 0.612 3 T N 2.408 116.986 114.554 0.040 0.000 2.824 3 T HA 0.681 5.031 4.350 0.001 0.000 0.282 3 T C -0.291 174.445 174.700 0.061 0.000 0.993 3 T CA -0.707 61.426 62.100 0.056 0.000 0.967 3 T CB 1.721 70.629 68.868 0.067 0.000 0.960 3 T HN 0.636 nan 8.240 nan 0.000 0.441 4 V N 4.884 124.837 119.914 0.066 0.000 2.417 4 V HA 0.748 4.868 4.120 0.001 0.000 0.291 4 V C -0.896 175.245 176.094 0.078 0.000 1.024 4 V CA -0.831 61.510 62.300 0.067 0.000 0.861 4 V CB 1.046 32.903 31.823 0.057 0.000 0.985 4 V HN 0.910 nan 8.190 nan 0.000 0.436 5 M N 7.292 126.936 119.600 0.073 0.000 2.181 5 M HA 0.567 5.047 4.480 0.001 0.000 0.323 5 M C -0.592 175.658 176.300 -0.084 0.000 1.004 5 M CA -0.494 54.813 55.300 0.012 0.000 0.941 5 M CB 1.859 34.459 32.600 0.001 0.000 1.579 5 M HN 0.582 nan 8.290 nan 0.000 0.427 6 K N 3.637 123.934 120.400 -0.171 0.000 2.221 6 K HA 0.607 4.927 4.320 0.001 0.000 0.258 6 K C -2.025 174.391 176.600 -0.307 0.000 0.944 6 K CA -0.213 56.015 56.287 -0.099 0.000 0.823 6 K CB 1.165 33.672 32.500 0.013 0.000 1.113 6 K HN 0.594 nan 8.250 nan 0.000 0.431 7 F N 1.033 121.054 119.950 0.117 0.000 2.493 7 F HA 0.381 4.909 4.527 0.001 0.000 0.329 7 F C 1.021 176.880 175.800 0.098 0.000 1.126 7 F CA -0.661 57.406 58.000 0.112 0.000 0.937 7 F CB 2.001 41.013 39.000 0.021 0.000 1.146 7 F HN 0.635 nan 8.300 nan 0.000 0.442 8 G N 0.842 109.799 108.800 0.262 0.000 2.616 8 G HA2 0.385 4.345 3.960 0.001 0.000 0.268 8 G HA3 0.385 4.345 3.960 0.001 0.000 0.268 8 G C 1.022 176.027 174.900 0.174 0.000 1.213 8 G CA -0.211 44.999 45.100 0.183 0.000 0.926 8 G HN 0.879 nan 8.290 nan 0.000 0.523 9 G N -0.735 108.140 108.800 0.126 0.000 2.476 9 G HA2 -0.251 3.709 3.960 0.001 0.000 0.218 9 G HA3 -0.251 3.709 3.960 0.001 0.000 0.218 9 G C 1.916 176.895 174.900 0.133 0.000 1.164 9 G CA 2.327 47.492 45.100 0.109 0.000 0.768 9 G HN 0.913 nan 8.290 nan 0.000 0.560 10 T N -1.078 113.576 114.554 0.168 0.000 2.821 10 T HA -0.073 4.277 4.350 0.001 0.000 0.267 10 T C 2.504 177.416 174.700 0.353 0.000 1.046 10 T CA 1.743 63.980 62.100 0.229 0.000 1.139 10 T CB -0.463 68.544 68.868 0.231 0.000 0.871 10 T HN 0.174 nan 8.240 nan 0.000 0.454 11 S N 1.591 117.475 115.700 0.307 0.000 2.400 11 S HA -0.035 4.436 4.470 0.001 0.000 0.232 11 S C 1.741 176.401 174.600 0.101 0.000 1.025 11 S CA 1.298 59.603 58.200 0.174 0.000 0.993 11 S CB -0.502 62.846 63.200 0.246 0.000 0.808 11 S HN 0.737 nan 8.310 nan 0.000 0.478 12 V N -0.796 119.183 119.914 0.110 0.000 2.933 12 V HA 0.606 4.727 4.120 0.001 0.000 0.374 12 V C 1.325 177.448 176.094 0.047 0.000 1.321 12 V CA 0.065 62.391 62.300 0.043 0.000 1.290 12 V CB -0.180 31.656 31.823 0.022 0.000 1.346 12 V HN 0.267 nan 8.190 nan 0.000 0.560 13 G N 1.313 110.168 108.800 0.092 0.000 2.509 13 G HA2 0.174 4.135 3.960 0.001 0.000 0.218 13 G HA3 0.174 4.135 3.960 0.001 0.000 0.218 13 G C 0.611 175.522 174.900 0.018 0.000 1.124 13 G CA 0.982 46.122 45.100 0.067 0.000 0.776 13 G HN 0.963 nan 8.290 nan 0.000 0.547 14 S N -2.984 112.726 115.700 0.016 0.000 2.625 14 S HA 0.585 5.056 4.470 0.001 0.000 0.271 14 S C 1.167 175.755 174.600 -0.021 0.000 1.161 14 S CA 0.201 58.392 58.200 -0.014 0.000 0.820 14 S CB 1.214 64.417 63.200 0.005 0.000 1.137 14 S HN 0.313 nan 8.310 nan 0.000 0.470 15 G N 0.581 109.362 108.800 -0.033 0.000 2.446 15 G HA2 -0.217 3.743 3.960 0.001 0.000 0.217 15 G HA3 -0.217 3.743 3.960 0.001 0.000 0.217 15 G C 1.043 175.931 174.900 -0.020 0.000 1.168 15 G CA 1.188 46.269 45.100 -0.032 0.000 0.771 15 G HN 0.902 nan 8.290 nan 0.000 0.551 16 E N 0.318 120.514 120.200 -0.006 0.000 2.070 16 E HA -0.199 4.151 4.350 0.001 0.000 0.197 16 E C 2.688 179.302 176.600 0.022 0.000 1.004 16 E CA 0.993 57.398 56.400 0.007 0.000 0.805 16 E CB -0.125 29.582 29.700 0.012 0.000 0.744 16 E HN 0.400 nan 8.360 nan 0.000 0.451 17 R N -0.001 120.518 120.500 0.031 0.000 2.081 17 R HA -0.119 4.222 4.340 0.001 0.000 0.235 17 R C 2.581 178.876 176.300 -0.008 0.000 1.131 17 R CA 1.424 57.550 56.100 0.044 0.000 0.960 17 R CB -0.374 29.984 30.300 0.097 0.000 0.856 17 R HN 0.291 nan 8.270 nan 0.000 0.436 18 I N 0.416 120.963 120.570 -0.039 0.000 2.208 18 I HA -0.337 3.834 4.170 0.001 0.000 0.245 18 I C 2.814 178.854 176.117 -0.128 0.000 1.097 18 I CA 1.387 62.629 61.300 -0.096 0.000 1.363 18 I CB -0.220 37.736 38.000 -0.073 0.000 1.051 18 I HN 0.162 nan 8.210 nan 0.000 0.413 19 R N -0.056 120.399 120.500 -0.075 0.000 2.075 19 R HA -0.246 4.095 4.340 0.001 0.000 0.232 19 R C 2.491 178.733 176.300 -0.095 0.000 1.126 19 R CA 1.795 57.846 56.100 -0.080 0.000 0.963 19 R CB -0.366 29.910 30.300 -0.041 0.000 0.858 19 R HN 0.414 nan 8.270 nan 0.000 0.435 20 H N -0.129 118.854 119.070 -0.146 0.000 2.352 20 H HA -0.082 4.474 4.556 0.001 0.000 0.299 20 H C 1.771 176.942 175.328 -0.261 0.000 1.097 20 H CA 2.102 58.054 56.048 -0.159 0.000 1.311 20 H CB -0.082 29.607 29.762 -0.122 0.000 1.377 20 H HN 0.037 nan 8.280 nan 0.000 0.504 21 V N 0.666 120.354 119.914 -0.378 0.000 2.307 21 V HA -0.233 3.888 4.120 0.001 0.000 0.245 21 V C 2.756 178.439 176.094 -0.684 0.000 1.045 21 V CA 1.595 63.470 62.300 -0.709 0.000 1.024 21 V CB -1.242 30.086 31.823 -0.826 0.000 0.651 21 V HN 0.724 nan 8.190 nan 0.000 0.449 22 A N -0.322 122.232 122.820 -0.445 0.000 1.917 22 A HA -0.294 4.026 4.320 0.001 0.000 0.219 22 A C 2.271 179.686 177.584 -0.282 0.000 1.182 22 A CA 2.246 54.090 52.037 -0.322 0.000 0.633 22 A CB -0.471 18.404 19.000 -0.208 0.000 0.819 22 A HN 0.559 nan 8.150 nan 0.000 0.448 23 K N -0.574 119.656 120.400 -0.284 0.000 2.057 23 K HA -0.054 4.266 4.320 0.001 0.000 0.207 23 K C 1.797 178.229 176.600 -0.280 0.000 1.049 23 K CA 1.524 57.666 56.287 -0.241 0.000 0.931 23 K CB -0.374 31.996 32.500 -0.216 0.000 0.714 23 K HN 0.549 nan 8.250 nan 0.000 0.440 24 I N 0.544 120.860 120.570 -0.423 0.000 2.127 24 I HA -0.323 3.847 4.170 0.001 0.000 0.241 24 I C 2.197 178.140 176.117 -0.290 0.000 1.075 24 I CA 1.191 62.240 61.300 -0.418 0.000 1.334 24 I CB -0.396 37.208 38.000 -0.659 0.000 1.040 24 I HN -0.054 nan 8.210 nan 0.000 0.405 25 V N -0.020 119.718 119.914 -0.292 0.000 2.282 25 V HA -0.359 3.762 4.120 0.001 0.000 0.249 25 V C 2.497 178.527 176.094 -0.107 0.000 1.057 25 V CA 2.638 64.844 62.300 -0.156 0.000 1.032 25 V CB -0.863 30.865 31.823 -0.158 0.000 0.645 25 V HN 0.494 nan 8.190 nan 0.000 0.447 26 T N -1.333 113.146 114.554 -0.125 0.000 2.951 26 T HA -0.156 4.194 4.350 0.001 0.000 0.268 26 T C 1.959 176.620 174.700 -0.064 0.000 1.073 26 T CA 1.358 63.407 62.100 -0.085 0.000 1.134 26 T CB -0.168 68.646 68.868 -0.089 0.000 0.884 26 T HN 0.459 nan 8.240 nan 0.000 0.479 27 K N 0.226 120.581 120.400 -0.075 0.000 2.148 27 K HA -0.023 4.297 4.320 0.001 0.000 0.204 27 K C 2.353 178.941 176.600 -0.019 0.000 1.050 27 K CA 0.727 56.987 56.287 -0.046 0.000 0.942 27 K CB 0.031 32.498 32.500 -0.054 0.000 0.724 27 K HN 0.121 nan 8.250 nan 0.000 0.446 28 R N 0.830 121.318 120.500 -0.020 0.000 2.115 28 R HA -0.078 4.262 4.340 0.001 0.000 0.226 28 R C 2.101 178.407 176.300 0.010 0.000 1.100 28 R CA 1.005 57.113 56.100 0.014 0.000 0.980 28 R CB -0.204 30.116 30.300 0.033 0.000 0.875 28 R HN 0.081 nan 8.270 nan 0.000 0.445 29 K N 1.408 121.805 120.400 -0.006 0.000 2.280 29 K HA -0.113 4.208 4.320 0.001 0.000 0.202 29 K C 1.285 177.883 176.600 -0.003 0.000 1.047 29 K CA 1.437 57.721 56.287 -0.004 0.000 0.942 29 K CB 0.088 32.579 32.500 -0.015 0.000 0.739 29 K HN -0.071 nan 8.250 nan 0.000 0.457 30 K N -0.332 120.066 120.400 -0.004 0.000 2.444 30 K HA 0.058 4.379 4.320 0.001 0.000 0.193 30 K C 0.817 177.420 176.600 0.006 0.000 1.024 30 K CA 0.399 56.685 56.287 -0.001 0.000 1.077 30 K CB 0.406 32.903 32.500 -0.006 0.000 0.833 30 K HN 0.239 nan 8.250 nan 0.000 0.517 31 E N -0.360 119.847 120.200 0.012 0.000 2.306 31 E HA 0.019 4.370 4.350 0.001 0.000 0.201 31 E C -0.267 176.344 176.600 0.019 0.000 0.874 31 E CA 0.156 56.567 56.400 0.018 0.000 0.972 31 E CB 0.635 30.352 29.700 0.028 0.000 0.957 31 E HN -0.000 nan 8.360 nan 0.000 0.492 32 D N -0.023 120.389 120.400 0.020 0.000 2.629 32 D HA 0.056 4.697 4.640 0.001 0.000 0.250 32 D C -0.443 175.865 176.300 0.014 0.000 1.126 32 D CA -0.283 53.728 54.000 0.019 0.000 0.852 32 D CB 1.933 42.750 40.800 0.028 0.000 1.335 32 D HN -0.163 nan 8.370 nan 0.000 0.518 33 D N 1.635 122.041 120.400 0.010 0.000 2.183 33 D HA -0.083 4.557 4.640 0.001 0.000 0.203 33 D C -0.415 175.890 176.300 0.007 0.000 0.969 33 D CA 0.793 54.796 54.000 0.006 0.000 0.842 33 D CB 0.365 41.167 40.800 0.003 0.000 0.957 33 D HN 0.337 nan 8.370 nan 0.000 0.484 34 D N 0.952 121.358 120.400 0.011 0.000 2.456 34 D HA 0.133 4.774 4.640 0.001 0.000 0.219 34 D C -0.672 175.640 176.300 0.019 0.000 1.126 34 D CA -0.188 53.819 54.000 0.012 0.000 0.890 34 D CB 1.802 42.608 40.800 0.011 0.000 1.025 34 D HN -0.078 nan 8.370 nan 0.000 0.511 35 V N 2.520 122.445 119.914 0.019 0.000 2.409 35 V HA 0.244 4.365 4.120 0.001 0.000 0.291 35 V C 0.257 176.369 176.094 0.030 0.000 1.020 35 V CA -0.812 61.505 62.300 0.029 0.000 0.848 35 V CB 2.138 33.977 31.823 0.027 0.000 0.990 35 V HN 0.219 nan 8.190 nan 0.000 0.430 36 V N 5.722 125.661 119.914 0.041 0.000 2.435 36 V HA 0.485 4.605 4.120 0.001 0.000 0.290 36 V C -0.058 176.076 176.094 0.066 0.000 1.030 36 V CA -0.639 61.687 62.300 0.043 0.000 0.881 36 V CB 1.905 33.750 31.823 0.037 0.000 0.983 36 V HN 0.597 nan 8.190 nan 0.000 0.445 37 V N 5.380 125.338 119.914 0.074 0.000 2.481 37 V HA 0.486 4.607 4.120 0.001 0.000 0.286 37 V C -0.060 176.100 176.094 0.110 0.000 1.042 37 V CA -0.501 61.872 62.300 0.123 0.000 0.928 37 V CB 1.811 33.710 31.823 0.126 0.000 0.986 37 V HN 0.608 nan 8.190 nan 0.000 0.462 38 V N 5.117 125.111 119.914 0.135 0.000 2.495 38 V HA 0.607 4.727 4.120 0.001 0.000 0.298 38 V C -0.346 175.853 176.094 0.176 0.000 1.031 38 V CA -0.544 61.827 62.300 0.118 0.000 0.871 38 V CB 1.970 33.844 31.823 0.085 0.000 0.988 38 V HN 0.616 nan 8.190 nan 0.000 0.432 39 V N 4.182 124.187 119.914 0.151 0.000 2.789 39 V HA 0.642 4.762 4.120 0.001 0.000 0.311 39 V C 0.067 176.243 176.094 0.136 0.000 1.073 39 V CA -0.048 62.353 62.300 0.170 0.000 0.921 39 V CB 2.838 34.743 31.823 0.136 0.000 1.009 39 V HN 0.945 nan 8.190 nan 0.000 0.426 40 S N 3.620 119.401 115.700 0.135 0.000 2.669 40 S HA 0.754 5.224 4.470 0.001 0.000 0.270 40 S C 0.340 175.001 174.600 0.102 0.000 1.225 40 S CA 0.043 58.304 58.200 0.102 0.000 0.991 40 S CB 1.502 64.747 63.200 0.074 0.000 0.987 40 S HN 1.380 nan 8.310 nan 0.000 0.552 41 A N 1.700 124.575 122.820 0.091 0.000 2.547 41 A HA 0.179 4.500 4.320 0.001 0.000 0.233 41 A C 0.513 178.156 177.584 0.097 0.000 1.067 41 A CA 0.186 52.291 52.037 0.114 0.000 0.763 41 A CB -0.413 18.654 19.000 0.110 0.000 1.007 41 A HN 0.788 nan 8.150 nan 0.000 0.506 42 M N 1.398 121.059 119.600 0.102 0.000 2.252 42 M HA 0.028 4.509 4.480 0.001 0.000 0.321 42 M C 1.124 177.463 176.300 0.066 0.000 1.070 42 M CA 0.363 55.694 55.300 0.052 0.000 1.143 42 M CB 0.184 32.759 32.600 -0.041 0.000 1.498 42 M HN 0.808 nan 8.290 nan 0.000 0.445 43 S N 0.989 116.727 115.700 0.063 0.000 2.563 43 S HA -0.024 4.446 4.470 0.001 0.000 0.294 43 S C 0.748 175.398 174.600 0.083 0.000 1.279 43 S CA 0.407 58.649 58.200 0.070 0.000 1.069 43 S CB 0.116 63.359 63.200 0.071 0.000 0.828 43 S HN 0.788 nan 8.310 nan 0.000 0.497 44 E N 1.336 121.586 120.200 0.084 0.000 4.071 44 E HA -0.190 4.160 4.350 0.001 0.000 0.355 44 E C 0.739 177.435 176.600 0.160 0.000 0.653 44 E CA 1.443 57.906 56.400 0.106 0.000 1.298 44 E CB -2.023 27.743 29.700 0.110 0.000 1.712 44 E HN 0.719 nan 8.360 nan 0.000 0.416 45 V N -1.852 118.166 119.914 0.173 0.000 2.488 45 V HA -0.109 4.012 4.120 0.001 0.000 0.246 45 V C 1.892 178.125 176.094 0.231 0.000 1.046 45 V CA 2.327 64.775 62.300 0.248 0.000 1.053 45 V CB -0.603 31.371 31.823 0.252 0.000 0.679 45 V HN 0.279 nan 8.190 nan 0.000 0.458 46 T N 1.710 116.350 114.554 0.145 0.000 2.720 46 T HA -0.179 4.171 4.350 0.001 0.000 0.268 46 T C 1.833 176.600 174.700 0.112 0.000 1.037 46 T CA 2.209 64.376 62.100 0.111 0.000 1.144 46 T CB -0.588 68.265 68.868 -0.025 0.000 0.864 46 T HN 0.575 nan 8.240 nan 0.000 0.444 47 N N 1.497 120.252 118.700 0.092 0.000 2.084 47 N HA -0.020 4.720 4.740 0.001 0.000 0.190 47 N C 2.180 177.746 175.510 0.093 0.000 1.030 47 N CA 1.409 54.505 53.050 0.077 0.000 0.849 47 N CB -0.780 37.742 38.487 0.058 0.000 1.012 47 N HN 0.443 nan 8.380 nan 0.000 0.423 48 A N 1.248 124.167 122.820 0.164 0.000 1.908 48 A HA -0.109 4.212 4.320 0.001 0.000 0.218 48 A C 2.407 180.069 177.584 0.131 0.000 1.181 48 A CA 1.122 53.298 52.037 0.232 0.000 0.627 48 A CB -0.841 18.455 19.000 0.493 0.000 0.818 48 A HN 0.245 nan 8.150 nan 0.000 0.445 49 L N -0.763 120.573 121.223 0.187 0.000 2.056 49 L HA -0.156 4.184 4.340 0.001 0.000 0.207 49 L C 2.558 179.418 176.870 -0.017 0.000 1.078 49 L CA 1.014 55.895 54.840 0.068 0.000 0.749 49 L CB -0.539 41.643 42.059 0.204 0.000 0.901 49 L HN 0.255 nan 8.230 nan 0.000 0.433 50 V N 0.529 120.467 119.914 0.039 0.000 2.287 50 V HA -0.330 3.790 4.120 0.001 0.000 0.248 50 V C 2.566 178.642 176.094 -0.031 0.000 1.053 50 V CA 2.354 64.668 62.300 0.025 0.000 1.027 50 V CB -0.618 31.235 31.823 0.049 0.000 0.646 50 V HN 0.655 nan 8.190 nan 0.000 0.447 51 E N -0.061 120.110 120.200 -0.049 0.000 2.107 51 E HA -0.223 4.127 4.350 0.001 0.000 0.191 51 E C 2.190 178.704 176.600 -0.144 0.000 0.982 51 E CA 1.482 57.838 56.400 -0.073 0.000 0.809 51 E CB -0.267 29.404 29.700 -0.047 0.000 0.756 51 E HN 0.499 nan 8.360 nan 0.000 0.459 52 I N 1.468 121.869 120.570 -0.282 0.000 2.394 52 I HA -0.182 3.989 4.170 0.001 0.000 0.251 52 I C 2.078 178.038 176.117 -0.263 0.000 1.136 52 I CA 1.059 62.114 61.300 -0.407 0.000 1.425 52 I CB -0.177 37.215 38.000 -1.013 0.000 1.079 52 I HN 0.025 nan 8.210 nan 0.000 0.425 53 S N 0.122 115.704 115.700 -0.196 0.000 2.365 53 S HA -0.296 4.174 4.470 0.001 0.000 0.225 53 S C 1.928 176.486 174.600 -0.071 0.000 1.039 53 S CA 1.735 59.874 58.200 -0.102 0.000 1.033 53 S CB -0.443 62.729 63.200 -0.047 0.000 0.887 53 S HN 0.520 nan 8.310 nan 0.000 0.447 54 Q N 1.216 120.977 119.800 -0.064 0.000 2.119 54 Q HA -0.024 4.317 4.340 0.001 0.000 0.201 54 Q C 2.107 178.080 176.000 -0.046 0.000 0.972 54 Q CA 1.512 57.290 55.803 -0.042 0.000 0.847 54 Q CB -0.331 28.388 28.738 -0.031 0.000 0.903 54 Q HN 0.604 nan 8.270 nan 0.000 0.433 55 Q N -0.937 118.822 119.800 -0.067 0.000 2.079 55 Q HA -0.062 4.278 4.340 0.001 0.000 0.200 55 Q C 1.985 177.954 176.000 -0.050 0.000 0.974 55 Q CA 1.271 57.038 55.803 -0.060 0.000 0.840 55 Q CB -0.226 28.466 28.738 -0.078 0.000 0.898 55 Q HN 0.463 nan 8.270 nan 0.000 0.430 56 A N 0.737 123.517 122.820 -0.066 0.000 1.972 56 A HA -0.161 4.160 4.320 0.001 0.000 0.219 56 A C 2.003 179.575 177.584 -0.020 0.000 1.169 56 A CA 1.090 53.100 52.037 -0.045 0.000 0.635 56 A CB -0.401 18.561 19.000 -0.063 0.000 0.810 56 A HN 0.353 nan 8.150 nan 0.000 0.446 57 L N -0.815 120.394 121.223 -0.023 0.000 2.102 57 L HA 0.001 4.341 4.340 0.001 0.000 0.202 57 L C 1.624 178.491 176.870 -0.006 0.000 1.076 57 L CA 2.221 57.054 54.840 -0.011 0.000 0.761 57 L CB -0.338 41.713 42.059 -0.013 0.000 0.921 57 L HN 0.239 nan 8.230 nan 0.000 0.444 58 D N -0.576 119.817 120.400 -0.012 0.000 2.110 58 D HA -0.060 4.580 4.640 0.001 0.000 0.202 58 D C 2.101 178.398 176.300 -0.005 0.000 0.975 58 D CA 2.075 56.070 54.000 -0.008 0.000 0.839 58 D CB -0.044 40.749 40.800 -0.011 0.000 0.996 58 D HN 0.385 nan 8.370 nan 0.000 0.464 59 V N -1.613 118.297 119.914 -0.008 0.000 2.992 59 V HA 0.198 4.318 4.120 0.001 0.000 0.250 59 V C 0.678 176.774 176.094 0.004 0.000 1.090 59 V CA 0.061 62.359 62.300 -0.004 0.000 1.101 59 V CB -0.552 31.266 31.823 -0.007 0.000 0.743 59 V HN 0.105 nan 8.190 nan 0.000 0.468 60 R N 1.013 121.517 120.500 0.006 0.000 3.422 60 R HA -0.170 4.171 4.340 0.001 0.000 0.267 60 R C -0.107 176.213 176.300 0.033 0.000 1.074 60 R CA 1.047 57.161 56.100 0.024 0.000 0.718 60 R CB -1.971 28.349 30.300 0.033 0.000 1.157 60 R HN 0.726 nan 8.270 nan 0.000 0.440 61 D N 0.135 120.546 120.400 0.020 0.000 2.274 61 D HA 0.184 4.824 4.640 0.001 0.000 0.239 61 D C 0.869 177.185 176.300 0.026 0.000 1.104 61 D CA -0.339 53.676 54.000 0.024 0.000 0.840 61 D CB 0.833 41.641 40.800 0.013 0.000 1.100 61 D HN 0.129 nan 8.370 nan 0.000 0.477 62 I N 3.114 123.710 120.570 0.043 0.000 2.716 62 I HA -0.084 4.086 4.170 0.001 0.000 0.259 62 I C 2.408 178.542 176.117 0.028 0.000 1.172 62 I CA 0.450 61.771 61.300 0.036 0.000 1.478 62 I CB 0.197 38.237 38.000 0.067 0.000 1.104 62 I HN 0.485 nan 8.210 nan 0.000 0.439 63 A N 0.219 123.057 122.820 0.030 0.000 1.969 63 A HA -0.198 4.123 4.320 0.001 0.000 0.218 63 A C 2.342 179.944 177.584 0.030 0.000 1.169 63 A CA 1.368 53.422 52.037 0.027 0.000 0.635 63 A CB -0.373 18.642 19.000 0.024 0.000 0.810 63 A HN 0.255 nan 8.150 nan 0.000 0.445 64 K N -0.109 120.308 120.400 0.027 0.000 2.217 64 K HA -0.008 4.313 4.320 0.001 0.000 0.202 64 K C 1.721 178.352 176.600 0.051 0.000 1.051 64 K CA 1.079 57.384 56.287 0.030 0.000 0.952 64 K CB -0.111 32.395 32.500 0.011 0.000 0.736 64 K HN 0.314 nan 8.250 nan 0.000 0.453 65 V N 0.315 120.253 119.914 0.039 0.000 2.323 65 V HA -0.144 3.977 4.120 0.001 0.000 0.244 65 V C 2.393 178.557 176.094 0.116 0.000 1.041 65 V CA 2.099 64.434 62.300 0.057 0.000 1.025 65 V CB -0.681 31.146 31.823 0.006 0.000 0.656 65 V HN 0.483 nan 8.190 nan 0.000 0.451 66 G N -0.298 108.542 108.800 0.066 0.000 2.432 66 G HA2 -0.235 3.726 3.960 0.001 0.000 0.219 66 G HA3 -0.235 3.726 3.960 0.001 0.000 0.219 66 G C 1.185 176.123 174.900 0.064 0.000 1.135 66 G CA 0.969 46.100 45.100 0.052 0.000 0.767 66 G HN 0.504 nan 8.290 nan 0.000 0.550 67 D N -0.010 120.438 120.400 0.081 0.000 2.144 67 D HA -0.107 4.533 4.640 0.001 0.000 0.199 67 D C 1.896 178.278 176.300 0.136 0.000 0.984 67 D CA 0.529 54.579 54.000 0.083 0.000 0.834 67 D CB -0.356 40.483 40.800 0.066 0.000 0.955 67 D HN 0.366 nan 8.370 nan 0.000 0.465 68 F N 1.256 121.227 119.950 0.036 0.000 2.163 68 F HA -0.120 4.408 4.527 0.001 0.000 0.297 68 F C 2.030 177.905 175.800 0.126 0.000 1.094 68 F CA 0.820 58.876 58.000 0.093 0.000 1.290 68 F CB -0.019 39.007 39.000 0.044 0.000 1.017 68 F HN -0.191 nan 8.300 nan 0.000 0.483 69 I N 1.037 121.651 120.570 0.073 0.000 2.208 69 I HA -0.307 3.863 4.170 0.001 0.000 0.245 69 I C 2.165 178.185 176.117 -0.162 0.000 1.097 69 I CA 1.612 62.864 61.300 -0.081 0.000 1.363 69 I CB -1.310 36.685 38.000 -0.008 0.000 1.051 69 I HN 0.250 nan 8.210 nan 0.000 0.413 70 K N -0.069 120.280 120.400 -0.086 0.000 2.097 70 K HA -0.190 4.131 4.320 0.001 0.000 0.205 70 K C 2.100 178.632 176.600 -0.113 0.000 1.050 70 K CA 1.203 57.429 56.287 -0.102 0.000 0.938 70 K CB -0.371 32.105 32.500 -0.040 0.000 0.718 70 K HN 0.205 nan 8.250 nan 0.000 0.442 71 F N 1.615 121.430 119.950 -0.225 0.000 2.134 71 F HA -0.173 4.355 4.527 0.001 0.000 0.299 71 F C 1.748 177.390 175.800 -0.264 0.000 1.097 71 F CA 1.184 59.048 58.000 -0.226 0.000 1.264 71 F CB -0.042 38.828 39.000 -0.218 0.000 1.001 71 F HN -0.137 nan 8.300 nan 0.000 0.479 72 I N 0.728 120.911 120.570 -0.646 0.000 2.252 72 I HA -0.222 3.949 4.170 0.001 0.000 0.245 72 I C 2.604 178.511 176.117 -0.349 0.000 1.102 72 I CA 1.299 62.235 61.300 -0.606 0.000 1.385 72 I CB -1.208 36.463 38.000 -0.549 0.000 1.064 72 I HN 0.236 nan 8.210 nan 0.000 0.414 73 R N 1.072 121.349 120.500 -0.372 0.000 2.097 73 R HA -0.226 4.114 4.340 0.001 0.000 0.236 73 R C 2.149 178.152 176.300 -0.496 0.000 1.135 73 R CA 2.058 57.877 56.100 -0.467 0.000 0.934 73 R CB -0.121 29.867 30.300 -0.520 0.000 0.846 73 R HN 0.368 nan 8.270 nan 0.000 0.431 74 E N -0.166 119.805 120.200 -0.381 0.000 2.150 74 E HA -0.175 4.175 4.350 0.001 0.000 0.193 74 E C 1.967 178.460 176.600 -0.178 0.000 0.985 74 E CA 0.925 57.181 56.400 -0.240 0.000 0.814 74 E CB 0.072 29.677 29.700 -0.158 0.000 0.752 74 E HN 0.257 nan 8.360 nan 0.000 0.466 75 K N -0.001 120.214 120.400 -0.309 0.000 2.057 75 K HA -0.164 4.157 4.320 0.001 0.000 0.206 75 K C 1.660 178.102 176.600 -0.264 0.000 1.050 75 K CA 1.341 57.424 56.287 -0.340 0.000 0.935 75 K CB 0.029 32.161 32.500 -0.613 0.000 0.715 75 K HN 0.190 nan 8.250 nan 0.000 0.439 76 H N -1.595 117.387 119.070 -0.146 0.000 2.448 76 H HA -0.031 4.526 4.556 0.001 0.000 0.292 76 H C 1.507 176.911 175.328 0.127 0.000 1.035 76 H CA 1.225 57.263 56.048 -0.017 0.000 1.349 76 H CB 0.069 29.823 29.762 -0.014 0.000 1.425 76 H HN 0.168 nan 8.280 nan 0.000 0.539 77 Y N 1.155 121.455 120.300 0.000 0.000 2.114 77 Y HA -0.186 4.365 4.550 0.001 0.000 0.284 77 Y C 2.524 178.400 175.900 -0.040 0.000 1.143 77 Y CA 1.327 59.415 58.100 -0.020 0.000 1.135 77 Y CB -0.546 37.897 38.460 -0.029 0.000 0.980 77 Y HN 0.096 nan 8.280 nan 0.000 0.499 78 K N 0.158 120.626 120.400 0.113 0.000 2.074 78 K HA -0.197 4.124 4.320 0.001 0.000 0.209 78 K C 2.219 178.813 176.600 -0.009 0.000 1.048 78 K CA 1.459 57.761 56.287 0.025 0.000 0.926 78 K CB -0.326 32.165 32.500 -0.015 0.000 0.713 78 K HN 0.204 nan 8.250 nan 0.000 0.444 79 A N 0.972 123.772 122.820 -0.034 0.000 1.877 79 A HA -0.119 4.201 4.320 0.001 0.000 0.216 79 A C 2.147 179.715 177.584 -0.027 0.000 1.186 79 A CA 1.676 53.681 52.037 -0.054 0.000 0.620 79 A CB -0.653 18.277 19.000 -0.117 0.000 0.822 79 A HN 0.364 nan 8.150 nan 0.000 0.443 80 I N -0.664 119.903 120.570 -0.005 0.000 2.151 80 I HA -0.298 3.873 4.170 0.001 0.000 0.243 80 I C 2.577 178.672 176.117 -0.036 0.000 1.080 80 I CA 1.927 63.213 61.300 -0.022 0.000 1.339 80 I CB -0.295 37.680 38.000 -0.042 0.000 1.039 80 I HN 0.349 nan 8.210 nan 0.000 0.409 81 E N 1.048 121.229 120.200 -0.032 0.000 2.051 81 E HA -0.215 4.135 4.350 0.001 0.000 0.192 81 E C 1.766 178.350 176.600 -0.026 0.000 0.991 81 E CA 1.437 57.818 56.400 -0.031 0.000 0.799 81 E CB 0.006 29.696 29.700 -0.018 0.000 0.748 81 E HN 0.454 nan 8.360 nan 0.000 0.449 82 E N -1.515 118.672 120.200 -0.023 0.000 2.479 82 E HA 0.170 4.521 4.350 0.001 0.000 0.193 82 E C 0.930 177.516 176.600 -0.023 0.000 1.049 82 E CA 0.356 56.744 56.400 -0.020 0.000 0.870 82 E CB 0.686 30.376 29.700 -0.017 0.000 0.944 82 E HN 0.252 nan 8.360 nan 0.000 0.492 83 A N 0.401 123.203 122.820 -0.029 0.000 2.070 83 A HA 0.262 4.582 4.320 0.001 0.000 0.202 83 A C 0.780 178.341 177.584 -0.038 0.000 1.277 83 A CA 0.054 52.069 52.037 -0.036 0.000 0.872 83 A CB 0.573 19.548 19.000 -0.042 0.000 0.933 83 A HN 0.043 nan 8.150 nan 0.000 0.475 84 I N 0.432 120.980 120.570 -0.037 0.000 2.474 84 I HA 0.237 4.408 4.170 0.001 0.000 0.294 84 I C 1.067 177.164 176.117 -0.034 0.000 1.005 84 I CA -0.589 60.688 61.300 -0.038 0.000 1.113 84 I CB 2.285 40.261 38.000 -0.041 0.000 1.289 84 I HN 0.339 nan 8.210 nan 0.000 0.436 85 K N 2.351 122.731 120.400 -0.032 0.000 2.276 85 K HA 0.153 4.474 4.320 0.001 0.000 0.198 85 K C 0.952 177.535 176.600 -0.028 0.000 1.052 85 K CA 0.124 56.394 56.287 -0.028 0.000 0.984 85 K CB 0.265 32.750 32.500 -0.024 0.000 0.836 85 K HN 0.457 nan 8.250 nan 0.000 0.490 86 S N 1.328 117.010 115.700 -0.030 0.000 2.549 86 S HA 0.012 4.482 4.470 0.001 0.000 0.283 86 S C 0.815 175.395 174.600 -0.033 0.000 1.320 86 S CA -0.458 57.724 58.200 -0.029 0.000 1.058 86 S CB 0.829 64.012 63.200 -0.029 0.000 0.882 86 S HN 0.241 nan 8.310 nan 0.000 0.498 87 E N 3.342 123.523 120.200 -0.032 0.000 2.158 87 E HA -0.081 4.269 4.350 0.001 0.000 0.191 87 E C 1.730 178.307 176.600 -0.038 0.000 0.982 87 E CA 0.804 57.182 56.400 -0.036 0.000 0.823 87 E CB -0.197 29.485 29.700 -0.031 0.000 0.766 87 E HN 0.916 nan 8.360 nan 0.000 0.468 88 E N 0.663 120.844 120.200 -0.032 0.000 2.106 88 E HA -0.115 4.235 4.350 0.001 0.000 0.192 88 E C 2.052 178.632 176.600 -0.033 0.000 0.984 88 E CA 0.744 57.126 56.400 -0.030 0.000 0.806 88 E CB 0.026 29.711 29.700 -0.024 0.000 0.750 88 E HN 0.178 nan 8.360 nan 0.000 0.458 89 I N 0.362 120.912 120.570 -0.034 0.000 2.406 89 I HA -0.190 3.981 4.170 0.001 0.000 0.249 89 I C 2.329 178.420 176.117 -0.044 0.000 1.122 89 I CA 0.760 62.039 61.300 -0.035 0.000 1.431 89 I CB -0.161 37.819 38.000 -0.033 0.000 1.087 89 I HN 0.013 nan 8.210 nan 0.000 0.424 90 K N 0.859 121.228 120.400 -0.052 0.000 2.044 90 K HA -0.268 4.052 4.320 0.001 0.000 0.210 90 K C 2.089 178.636 176.600 -0.089 0.000 1.049 90 K CA 1.836 58.080 56.287 -0.073 0.000 0.927 90 K CB -0.205 32.248 32.500 -0.079 0.000 0.713 90 K HN 0.272 nan 8.250 nan 0.000 0.443 91 E N 0.832 120.986 120.200 -0.076 0.000 2.085 91 E HA -0.263 4.087 4.350 0.001 0.000 0.194 91 E C 2.023 178.589 176.600 -0.057 0.000 0.994 91 E CA 1.375 57.732 56.400 -0.073 0.000 0.801 91 E CB 0.115 29.783 29.700 -0.053 0.000 0.743 91 E HN 0.286 nan 8.360 nan 0.000 0.453 92 E N -0.473 119.701 120.200 -0.043 0.000 2.072 92 E HA -0.151 4.199 4.350 0.001 0.000 0.191 92 E C 2.042 178.626 176.600 -0.027 0.000 0.985 92 E CA 1.240 57.622 56.400 -0.030 0.000 0.801 92 E CB 0.240 29.925 29.700 -0.025 0.000 0.750 92 E HN 0.137 nan 8.360 nan 0.000 0.452 93 V N 1.201 121.095 119.914 -0.034 0.000 2.453 93 V HA -0.195 3.925 4.120 0.001 0.000 0.247 93 V C 2.403 178.481 176.094 -0.026 0.000 1.048 93 V CA 1.759 64.045 62.300 -0.023 0.000 1.049 93 V CB -0.459 31.350 31.823 -0.023 0.000 0.672 93 V HN 0.227 nan 8.190 nan 0.000 0.457 94 K N 0.363 120.720 120.400 -0.073 0.000 2.063 94 K HA -0.248 4.073 4.320 0.001 0.000 0.208 94 K C 2.239 178.821 176.600 -0.030 0.000 1.048 94 K CA 1.698 57.916 56.287 -0.115 0.000 0.928 94 K CB -0.095 32.253 32.500 -0.253 0.000 0.713 94 K HN 0.372 nan 8.250 nan 0.000 0.442 95 K N 0.329 120.716 120.400 -0.022 0.000 2.057 95 K HA -0.096 4.225 4.320 0.001 0.000 0.207 95 K C 2.048 178.664 176.600 0.027 0.000 1.049 95 K CA 1.518 57.809 56.287 0.007 0.000 0.931 95 K CB -0.085 32.415 32.500 -0.000 0.000 0.714 95 K HN 0.140 nan 8.250 nan 0.000 0.440 96 I N 0.483 121.067 120.570 0.023 0.000 2.179 96 I HA -0.290 3.881 4.170 0.001 0.000 0.242 96 I C 1.956 178.102 176.117 0.049 0.000 1.088 96 I CA 0.999 62.319 61.300 0.033 0.000 1.357 96 I CB -0.200 37.815 38.000 0.023 0.000 1.051 96 I HN 0.061 nan 8.210 nan 0.000 0.409 97 I N 0.754 121.357 120.570 0.056 0.000 2.208 97 I HA -0.316 3.854 4.170 0.001 0.000 0.245 97 I C 2.099 178.264 176.117 0.081 0.000 1.097 97 I CA 1.691 63.033 61.300 0.070 0.000 1.363 97 I CB -0.664 37.409 38.000 0.121 0.000 1.051 97 I HN 0.207 nan 8.210 nan 0.000 0.413 98 D N -0.082 120.384 120.400 0.110 0.000 2.104 98 D HA -0.148 4.493 4.640 0.001 0.000 0.194 98 D C 2.412 178.748 176.300 0.061 0.000 0.994 98 D CA 1.543 55.601 54.000 0.097 0.000 0.830 98 D CB -0.259 40.604 40.800 0.104 0.000 0.959 98 D HN 0.213 nan 8.370 nan 0.000 0.452 99 S N 0.263 116.001 115.700 0.065 0.000 2.382 99 S HA -0.117 4.353 4.470 0.001 0.000 0.228 99 S C 1.890 176.554 174.600 0.108 0.000 1.027 99 S CA 0.807 59.051 58.200 0.073 0.000 0.991 99 S CB 0.132 63.373 63.200 0.067 0.000 0.823 99 S HN 0.141 nan 8.310 nan 0.000 0.469 100 R N 1.099 121.675 120.500 0.126 0.000 2.090 100 R HA 0.179 4.519 4.340 0.001 0.000 0.228 100 R C 2.069 178.422 176.300 0.089 0.000 1.110 100 R CA 0.839 57.087 56.100 0.247 0.000 0.973 100 R CB -1.067 29.383 30.300 0.251 0.000 0.869 100 R HN 0.452 nan 8.270 nan 0.000 0.440 101 I N 1.014 121.570 120.570 -0.022 0.000 2.315 101 I HA -0.200 3.970 4.170 0.001 0.000 0.248 101 I C 2.190 178.239 176.117 -0.113 0.000 1.117 101 I CA 1.080 62.302 61.300 -0.131 0.000 1.404 101 I CB -0.194 37.739 38.000 -0.112 0.000 1.071 101 I HN 0.117 nan 8.210 nan 0.000 0.419 102 E N 0.905 121.086 120.200 -0.032 0.000 2.077 102 E HA -0.244 4.106 4.350 0.001 0.000 0.193 102 E C 2.056 178.655 176.600 -0.003 0.000 0.989 102 E CA 1.425 57.818 56.400 -0.011 0.000 0.800 102 E CB -0.140 29.574 29.700 0.024 0.000 0.746 102 E HN 0.595 nan 8.360 nan 0.000 0.452 103 E N 0.891 121.125 120.200 0.056 0.000 2.072 103 E HA -0.110 4.240 4.350 0.001 0.000 0.191 103 E C 2.309 178.909 176.600 -0.001 0.000 0.985 103 E CA 0.383 56.883 56.400 0.166 0.000 0.801 103 E CB -0.071 29.896 29.700 0.446 0.000 0.750 103 E HN 0.151 nan 8.360 nan 0.000 0.452 104 L N 1.111 122.035 121.223 -0.499 0.000 1.989 104 L HA -0.254 4.086 4.340 0.001 0.000 0.211 104 L C 2.600 179.302 176.870 -0.281 0.000 1.071 104 L CA 1.671 56.017 54.840 -0.823 0.000 0.749 104 L CB -0.213 41.236 42.059 -1.017 0.000 0.890 104 L HN 0.204 nan 8.230 nan 0.000 0.431 105 E N -0.123 119.968 120.200 -0.181 0.000 2.085 105 E HA -0.311 4.039 4.350 0.001 0.000 0.194 105 E C 2.240 178.789 176.600 -0.086 0.000 0.994 105 E CA 1.416 57.758 56.400 -0.096 0.000 0.801 105 E CB -0.008 29.649 29.700 -0.072 0.000 0.743 105 E HN 0.261 nan 8.360 nan 0.000 0.453 106 K N 0.178 120.540 120.400 -0.063 0.000 2.103 106 K HA -0.157 4.164 4.320 0.001 0.000 0.207 106 K C 1.938 178.507 176.600 -0.052 0.000 1.048 106 K CA 1.408 57.663 56.287 -0.053 0.000 0.930 106 K CB 0.047 32.545 32.500 -0.002 0.000 0.716 106 K HN 0.101 nan 8.250 nan 0.000 0.444 107 V N 1.123 121.038 119.914 0.002 0.000 2.599 107 V HA -0.134 3.987 4.120 0.001 0.000 0.245 107 V C 2.173 178.258 176.094 -0.016 0.000 1.046 107 V CA 0.879 63.200 62.300 0.034 0.000 1.065 107 V CB -0.102 31.849 31.823 0.213 0.000 0.703 107 V HN 0.262 nan 8.190 nan 0.000 0.464 108 L N -0.590 120.605 121.223 -0.046 0.000 2.141 108 L HA -0.138 4.203 4.340 0.001 0.000 0.209 108 L C 2.258 179.072 176.870 -0.094 0.000 1.094 108 L CA 1.555 56.355 54.840 -0.067 0.000 0.763 108 L CB -0.382 41.631 42.059 -0.077 0.000 0.908 108 L HN 0.278 nan 8.230 nan 0.000 0.437 109 I N -0.473 120.008 120.570 -0.147 0.000 2.233 109 I HA -0.167 4.004 4.170 0.001 0.000 0.243 109 I C 2.650 178.566 176.117 -0.336 0.000 1.093 109 I CA 1.306 62.436 61.300 -0.285 0.000 1.380 109 I CB -0.853 36.910 38.000 -0.395 0.000 1.067 109 I HN 0.242 nan 8.210 nan 0.000 0.413 110 G N 0.665 109.331 108.800 -0.224 0.000 2.440 110 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 110 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 110 G C 1.705 176.594 174.900 -0.018 0.000 1.154 110 G CA 1.000 46.036 45.100 -0.107 0.000 0.767 110 G HN 0.251 nan 8.290 nan 0.000 0.552 111 V N 1.263 121.160 119.914 -0.029 0.000 2.427 111 V HA -0.082 4.038 4.120 0.001 0.000 0.248 111 V C 3.237 179.344 176.094 0.022 0.000 1.051 111 V CA 1.930 64.227 62.300 -0.006 0.000 1.048 111 V CB -0.586 31.226 31.823 -0.018 0.000 0.666 111 V HN 0.490 nan 8.190 nan 0.000 0.456 112 A N -1.393 121.443 122.820 0.027 0.000 1.929 112 A HA -0.134 4.186 4.320 0.001 0.000 0.216 112 A C 2.102 179.815 177.584 0.214 0.000 1.176 112 A CA 1.262 53.350 52.037 0.085 0.000 0.628 112 A CB -0.546 18.494 19.000 0.067 0.000 0.816 112 A HN 0.500 nan 8.150 nan 0.000 0.444 113 Y N -0.938 119.353 120.300 -0.015 0.000 2.153 113 Y HA -0.065 4.485 4.550 0.001 0.000 0.289 113 Y C 2.215 178.105 175.900 -0.016 0.000 1.127 113 Y CA 0.892 58.984 58.100 -0.013 0.000 1.131 113 Y CB -0.867 37.586 38.460 -0.012 0.000 0.995 113 Y HN 0.270 nan 8.280 nan 0.000 0.505 114 L N -0.302 121.015 121.223 0.157 0.000 2.141 114 L HA 0.056 4.397 4.340 0.001 0.000 0.209 114 L C 1.809 178.702 176.870 0.038 0.000 1.094 114 L CA 1.898 56.779 54.840 0.067 0.000 0.763 114 L CB -0.982 41.100 42.059 0.039 0.000 0.908 114 L HN 0.450 nan 8.230 nan 0.000 0.437 115 G N -0.455 108.371 108.800 0.043 0.000 2.160 115 G HA2 -0.314 3.646 3.960 0.001 0.000 0.251 115 G HA3 -0.314 3.646 3.960 0.001 0.000 0.251 115 G C 0.312 175.217 174.900 0.009 0.000 1.008 115 G CA 0.506 45.620 45.100 0.023 0.000 0.724 115 G HN 0.451 nan 8.290 nan 0.000 0.514 116 E N -0.901 119.302 120.200 0.004 0.000 2.275 116 E HA 0.574 4.924 4.350 0.001 0.000 0.270 116 E C -1.322 175.268 176.600 -0.017 0.000 0.882 116 E CA -1.059 55.336 56.400 -0.008 0.000 0.758 116 E CB 1.398 31.091 29.700 -0.013 0.000 1.195 116 E HN 0.303 nan 8.360 nan 0.000 0.419 117 L N 4.747 125.958 121.223 -0.019 0.000 2.384 117 L HA 0.322 4.662 4.340 0.001 0.000 0.261 117 L C -0.316 176.534 176.870 -0.033 0.000 1.024 117 L CA -0.191 54.634 54.840 -0.025 0.000 0.899 117 L CB 1.029 43.079 42.059 -0.016 0.000 1.243 117 L HN 0.557 nan 8.230 nan 0.000 0.449 118 T N 1.737 116.254 114.554 -0.061 0.000 2.860 118 T HA 0.350 4.700 4.350 0.001 0.000 0.299 118 T C -1.769 172.877 174.700 -0.090 0.000 1.045 118 T CA -1.310 60.742 62.100 -0.079 0.000 1.071 118 T CB 0.800 69.590 68.868 -0.129 0.000 0.985 118 T HN 0.394 nan 8.240 nan 0.000 0.537 119 P HA -0.104 nan 4.420 nan 0.000 0.216 119 P C 1.564 178.758 177.300 -0.177 0.000 1.150 119 P CA 1.046 64.138 63.100 -0.012 0.000 0.843 119 P CB 0.072 31.842 31.700 0.116 0.000 0.787 120 K N -0.223 119.842 120.400 -0.559 0.000 2.009 120 K HA -0.132 4.189 4.320 0.001 0.000 0.210 120 K C 2.075 178.381 176.600 -0.491 0.000 1.049 120 K CA 2.031 57.627 56.287 -1.152 0.000 0.929 120 K CB -0.477 31.248 32.500 -1.291 0.000 0.714 120 K HN 0.013 nan 8.250 nan 0.000 0.440 121 S N 0.630 116.157 115.700 -0.289 0.000 2.368 121 S HA -0.156 4.314 4.470 0.001 0.000 0.225 121 S C 1.912 176.523 174.600 0.019 0.000 1.030 121 S CA 1.354 59.494 58.200 -0.100 0.000 0.999 121 S CB -0.302 62.848 63.200 -0.083 0.000 0.844 121 S HN 0.368 nan 8.310 nan 0.000 0.459 122 R N 1.124 121.617 120.500 -0.011 0.000 2.083 122 R HA -0.147 4.194 4.340 0.001 0.000 0.237 122 R C 1.625 177.971 176.300 0.076 0.000 1.137 122 R CA 1.843 57.967 56.100 0.041 0.000 0.951 122 R CB -0.345 29.975 30.300 0.034 0.000 0.851 122 R HN 0.213 nan 8.270 nan 0.000 0.434 123 D N -0.774 119.658 120.400 0.053 0.000 2.149 123 D HA -0.194 4.446 4.640 0.001 0.000 0.198 123 D C 1.480 177.833 176.300 0.087 0.000 0.990 123 D CA 1.059 55.101 54.000 0.071 0.000 0.839 123 D CB -0.233 40.655 40.800 0.147 0.000 0.948 123 D HN 0.278 nan 8.370 nan 0.000 0.460 124 Y N 0.988 121.277 120.300 -0.018 0.000 2.133 124 Y HA -0.122 4.428 4.550 0.001 0.000 0.287 124 Y C 2.131 178.119 175.900 0.147 0.000 1.134 124 Y CA 1.274 59.381 58.100 0.012 0.000 1.133 124 Y CB -0.373 38.094 38.460 0.010 0.000 0.987 124 Y HN -0.058 nan 8.280 nan 0.000 0.502 125 I N -0.239 120.471 120.570 0.233 0.000 2.208 125 I HA -0.358 3.813 4.170 0.001 0.000 0.245 125 I C 2.261 178.541 176.117 0.272 0.000 1.097 125 I CA 1.437 62.898 61.300 0.268 0.000 1.363 125 I CB -0.501 37.593 38.000 0.158 0.000 1.051 125 I HN 0.258 nan 8.210 nan 0.000 0.413 126 L N 0.408 121.748 121.223 0.195 0.000 2.201 126 L HA -0.148 4.193 4.340 0.001 0.000 0.212 126 L C 2.739 179.766 176.870 0.262 0.000 1.105 126 L CA 1.432 56.429 54.840 0.261 0.000 0.775 126 L CB -0.724 41.529 42.059 0.324 0.000 0.913 126 L HN 0.385 nan 8.230 nan 0.000 0.440 127 S N -0.375 115.361 115.700 0.059 0.000 2.469 127 S HA -0.143 4.327 4.470 0.001 0.000 0.238 127 S C 1.749 176.279 174.600 -0.118 0.000 0.998 127 S CA 0.705 58.864 58.200 -0.069 0.000 0.957 127 S CB -0.657 62.385 63.200 -0.263 0.000 0.764 127 S HN 0.301 nan 8.310 nan 0.000 0.514 128 F N 2.773 122.691 119.950 -0.053 0.000 2.234 128 F HA 0.146 4.674 4.527 0.001 0.000 0.299 128 F C 2.720 178.521 175.800 0.001 0.000 1.087 128 F CA 0.595 58.557 58.000 -0.064 0.000 1.340 128 F CB -1.093 37.855 39.000 -0.087 0.000 1.031 128 F HN 0.355 nan 8.300 nan 0.000 0.500 129 G N 0.027 108.972 108.800 0.241 0.000 2.586 129 G HA2 -0.323 3.637 3.960 0.001 0.000 0.218 129 G HA3 -0.323 3.637 3.960 0.001 0.000 0.218 129 G C 1.499 176.499 174.900 0.167 0.000 1.216 129 G CA 1.284 46.507 45.100 0.206 0.000 0.786 129 G HN 0.264 nan 8.290 nan 0.000 0.583 130 E N 0.019 120.310 120.200 0.151 0.000 2.208 130 E HA 0.052 4.402 4.350 0.001 0.000 0.193 130 E C 2.658 179.298 176.600 0.068 0.000 0.988 130 E CA 0.453 56.926 56.400 0.120 0.000 0.828 130 E CB -0.075 29.712 29.700 0.144 0.000 0.763 130 E HN 0.393 nan 8.360 nan 0.000 0.478 131 R N -0.367 120.143 120.500 0.018 0.000 2.276 131 R HA 0.116 4.456 4.340 0.001 0.000 0.203 131 R C 1.647 177.956 176.300 0.015 0.000 1.017 131 R CA 0.420 56.504 56.100 -0.026 0.000 1.010 131 R CB 0.083 30.288 30.300 -0.159 0.000 0.900 131 R HN 0.167 nan 8.270 nan 0.000 0.469 132 L N -0.540 120.703 121.223 0.033 0.000 2.357 132 L HA 0.023 4.363 4.340 0.001 0.000 0.211 132 L C 2.200 179.146 176.870 0.126 0.000 1.075 132 L CA 0.719 55.549 54.840 -0.018 0.000 0.830 132 L CB 0.041 41.897 42.059 -0.338 0.000 0.996 132 L HN 0.197 nan 8.230 nan 0.000 0.467 133 S N -1.204 114.592 115.700 0.161 0.000 2.439 133 S HA -0.096 4.375 4.470 0.001 0.000 0.224 133 S C 2.153 176.804 174.600 0.086 0.000 1.029 133 S CA 0.585 58.881 58.200 0.160 0.000 0.946 133 S CB -0.262 63.028 63.200 0.150 0.000 0.797 133 S HN 0.408 nan 8.310 nan 0.000 0.504 134 S N 3.625 119.367 115.700 0.069 0.000 2.370 134 S HA 0.001 4.471 4.470 0.001 0.000 0.226 134 S C -0.366 174.250 174.600 0.026 0.000 1.033 134 S CA 1.197 59.422 58.200 0.043 0.000 1.011 134 S CB -1.975 61.249 63.200 0.040 0.000 0.852 134 S HN 0.558 nan 8.310 nan 0.000 0.457 135 P HA 0.091 nan 4.420 nan 0.000 0.220 135 P C 1.570 178.879 177.300 0.015 0.000 1.152 135 P CA 0.747 63.858 63.100 0.019 0.000 0.812 135 P CB -0.223 31.491 31.700 0.023 0.000 0.792 136 I N -0.737 119.853 120.570 0.033 0.000 2.202 136 I HA -0.213 3.958 4.170 0.001 0.000 0.242 136 I C 2.470 178.577 176.117 -0.016 0.000 1.091 136 I CA 1.007 62.319 61.300 0.018 0.000 1.368 136 I CB -0.812 37.216 38.000 0.046 0.000 1.058 136 I HN -0.083 nan 8.210 nan 0.000 0.410 137 L N 0.306 121.515 121.223 -0.023 0.000 2.046 137 L HA -0.185 4.156 4.340 0.001 0.000 0.208 137 L C 2.635 179.465 176.870 -0.066 0.000 1.077 137 L CA 1.866 56.666 54.840 -0.066 0.000 0.747 137 L CB -0.769 41.243 42.059 -0.078 0.000 0.896 137 L HN 0.117 nan 8.230 nan 0.000 0.432 138 S N -0.506 115.171 115.700 -0.038 0.000 2.359 138 S HA -0.167 4.303 4.470 0.001 0.000 0.224 138 S C 2.027 176.605 174.600 -0.037 0.000 1.035 138 S CA 1.407 59.587 58.200 -0.033 0.000 1.018 138 S CB -0.941 62.250 63.200 -0.015 0.000 0.876 138 S HN 0.695 nan 8.310 nan 0.000 0.448 139 G N 0.447 109.228 108.800 -0.031 0.000 2.432 139 G HA2 -0.047 3.913 3.960 0.001 0.000 0.219 139 G HA3 -0.047 3.913 3.960 0.001 0.000 0.219 139 G C 1.586 176.459 174.900 -0.044 0.000 1.135 139 G CA 0.990 46.070 45.100 -0.033 0.000 0.767 139 G HN 0.669 nan 8.290 nan 0.000 0.550 140 A N 0.543 123.330 122.820 -0.055 0.000 1.929 140 A HA 0.148 4.469 4.320 0.001 0.000 0.216 140 A C 2.365 179.903 177.584 -0.077 0.000 1.176 140 A CA 1.045 53.041 52.037 -0.068 0.000 0.628 140 A CB -0.251 18.699 19.000 -0.083 0.000 0.816 140 A HN 0.372 nan 8.150 nan 0.000 0.444 141 I N -1.125 119.396 120.570 -0.082 0.000 2.202 141 I HA -0.221 3.949 4.170 0.001 0.000 0.242 141 I C 2.693 178.775 176.117 -0.058 0.000 1.091 141 I CA 1.228 62.480 61.300 -0.081 0.000 1.368 141 I CB -0.328 37.623 38.000 -0.082 0.000 1.058 141 I HN 0.244 nan 8.210 nan 0.000 0.410 142 R N 0.516 120.988 120.500 -0.047 0.000 2.117 142 R HA -0.251 4.089 4.340 0.001 0.000 0.243 142 R C 1.892 178.170 176.300 -0.037 0.000 1.143 142 R CA 2.077 58.155 56.100 -0.037 0.000 0.968 142 R CB -0.334 29.947 30.300 -0.031 0.000 0.863 142 R HN 0.324 nan 8.270 nan 0.000 0.444 143 D N 0.027 120.402 120.400 -0.042 0.000 2.178 143 D HA -0.090 4.551 4.640 0.001 0.000 0.202 143 D C 1.306 177.581 176.300 -0.041 0.000 0.974 143 D CA 0.774 54.750 54.000 -0.040 0.000 0.841 143 D CB 0.147 40.922 40.800 -0.042 0.000 0.953 143 D HN 0.162 nan 8.370 nan 0.000 0.478 144 L N -1.040 120.153 121.223 -0.049 0.000 2.612 144 L HA 0.269 4.609 4.340 0.001 0.000 0.230 144 L C 1.373 178.218 176.870 -0.042 0.000 1.140 144 L CA 0.422 55.232 54.840 -0.049 0.000 0.896 144 L CB -0.010 42.010 42.059 -0.065 0.000 1.065 144 L HN 0.283 nan 8.230 nan 0.000 0.447 145 G N 0.230 109.008 108.800 -0.036 0.000 2.144 145 G HA2 -0.243 3.717 3.960 0.001 0.000 0.218 145 G HA3 -0.243 3.717 3.960 0.001 0.000 0.218 145 G C -0.092 174.791 174.900 -0.028 0.000 0.988 145 G CA -0.159 44.924 45.100 -0.029 0.000 0.659 145 G HN 0.364 nan 8.290 nan 0.000 0.522 146 E N 0.287 120.467 120.200 -0.032 0.000 2.227 146 E HA 0.659 5.009 4.350 0.001 0.000 0.268 146 E C 0.235 176.818 176.600 -0.027 0.000 0.907 146 E CA -0.864 55.518 56.400 -0.029 0.000 0.786 146 E CB 0.840 30.520 29.700 -0.034 0.000 1.191 146 E HN 0.262 nan 8.360 nan 0.000 0.411 147 K N 1.284 121.671 120.400 -0.021 0.000 2.401 147 K HA 0.410 4.730 4.320 0.001 0.000 0.278 147 K C -0.642 175.947 176.600 -0.019 0.000 1.018 147 K CA 0.008 56.284 56.287 -0.018 0.000 0.981 147 K CB 0.986 33.478 32.500 -0.014 0.000 0.933 147 K HN 0.269 nan 8.250 nan 0.000 0.477 148 S N 2.631 118.320 115.700 -0.018 0.000 2.560 148 S HA 0.524 4.995 4.470 0.001 0.000 0.283 148 S C -1.376 173.216 174.600 -0.013 0.000 1.141 148 S CA -0.941 57.249 58.200 -0.017 0.000 0.902 148 S CB 0.506 63.691 63.200 -0.026 0.000 1.104 148 S HN 0.578 nan 8.310 nan 0.000 0.454 149 I N 1.340 121.905 120.570 -0.008 0.000 2.934 149 I HA 0.972 5.143 4.170 0.001 0.000 0.306 149 I C -0.218 175.899 176.117 -0.002 0.000 1.110 149 I CA -1.412 59.884 61.300 -0.006 0.000 1.019 149 I CB 1.935 39.932 38.000 -0.004 0.000 1.227 149 I HN 0.670 nan 8.210 nan 0.000 0.434 150 A N 5.338 128.158 122.820 0.001 0.000 2.309 150 A HA 0.859 5.180 4.320 0.001 0.000 0.298 150 A C -0.649 176.937 177.584 0.004 0.000 1.165 150 A CA -0.482 51.558 52.037 0.005 0.000 0.821 150 A CB 0.689 19.694 19.000 0.008 0.000 1.102 150 A HN 0.723 nan 8.150 nan 0.000 0.500 151 L N 1.488 122.715 121.223 0.006 0.000 2.371 151 L HA 0.462 4.803 4.340 0.001 0.000 0.262 151 L C -0.017 176.852 176.870 -0.001 0.000 1.006 151 L CA -0.636 54.204 54.840 0.001 0.000 0.818 151 L CB 2.295 44.355 42.059 0.002 0.000 1.354 151 L HN 0.808 nan 8.230 nan 0.000 0.415 152 E N 0.144 120.338 120.200 -0.009 0.000 2.280 152 E HA 0.221 4.572 4.350 0.001 0.000 0.264 152 E C 0.664 177.255 176.600 -0.015 0.000 1.064 152 E CA -0.079 56.311 56.400 -0.017 0.000 0.900 152 E CB 1.511 31.194 29.700 -0.030 0.000 1.123 152 E HN 0.800 nan 8.360 nan 0.000 0.418 153 G N 1.279 110.067 108.800 -0.020 0.000 2.446 153 G HA2 -0.271 3.689 3.960 0.001 0.000 0.217 153 G HA3 -0.271 3.689 3.960 0.001 0.000 0.217 153 G C 1.306 176.186 174.900 -0.034 0.000 1.168 153 G CA 0.881 45.964 45.100 -0.028 0.000 0.771 153 G HN 0.632 nan 8.290 nan 0.000 0.551 154 G N 1.246 110.028 108.800 -0.031 0.000 2.421 154 G HA2 -0.196 3.764 3.960 0.001 0.000 0.216 154 G HA3 -0.196 3.764 3.960 0.001 0.000 0.216 154 G C 1.600 176.485 174.900 -0.024 0.000 1.171 154 G CA 1.232 46.315 45.100 -0.029 0.000 0.775 154 G HN 0.648 nan 8.290 nan 0.000 0.543 155 E N 0.471 120.660 120.200 -0.018 0.000 2.482 155 E HA 0.275 4.626 4.350 0.001 0.000 0.196 155 E C 2.104 178.697 176.600 -0.013 0.000 1.047 155 E CA 0.658 57.050 56.400 -0.015 0.000 0.869 155 E CB -0.062 29.631 29.700 -0.011 0.000 0.836 155 E HN 0.354 nan 8.360 nan 0.000 0.520 156 A N 0.998 123.809 122.820 -0.015 0.000 2.218 156 A HA 0.393 4.713 4.320 0.001 0.000 0.209 156 A C 1.728 179.303 177.584 -0.016 0.000 1.168 156 A CA 0.550 52.580 52.037 -0.012 0.000 0.804 156 A CB -0.047 18.947 19.000 -0.009 0.000 0.834 156 A HN 0.512 nan 8.150 nan 0.000 0.482 157 G N -0.928 107.858 108.800 -0.023 0.000 2.154 157 G HA2 -0.140 3.820 3.960 0.001 0.000 0.186 157 G HA3 -0.140 3.820 3.960 0.001 0.000 0.186 157 G C -0.052 174.826 174.900 -0.037 0.000 1.000 157 G CA -0.078 45.008 45.100 -0.024 0.000 0.664 157 G HN 0.373 nan 8.290 nan 0.000 0.513 158 I N 1.510 122.049 120.570 -0.052 0.000 2.291 158 I HA 0.464 4.635 4.170 0.001 0.000 0.290 158 I C 0.040 176.116 176.117 -0.069 0.000 1.050 158 I CA -0.705 60.548 61.300 -0.077 0.000 1.245 158 I CB 0.788 38.721 38.000 -0.111 0.000 1.405 158 I HN -0.041 nan 8.210 nan 0.000 0.478 159 I N 6.023 126.553 120.570 -0.065 0.000 2.377 159 I HA 0.414 4.584 4.170 0.001 0.000 0.293 159 I C 0.607 176.684 176.117 -0.067 0.000 0.987 159 I CA -0.041 61.223 61.300 -0.059 0.000 1.185 159 I CB 1.942 39.913 38.000 -0.048 0.000 1.341 159 I HN 0.574 nan 8.210 nan 0.000 0.455 160 T N 0.215 114.727 114.554 -0.071 0.000 2.883 160 T HA 0.635 4.985 4.350 0.001 0.000 0.284 160 T C -0.366 174.279 174.700 -0.092 0.000 1.041 160 T CA -0.910 61.142 62.100 -0.079 0.000 1.007 160 T CB 1.535 70.349 68.868 -0.091 0.000 1.220 160 T HN 0.527 nan 8.240 nan 0.000 0.552 161 D N 0.283 120.621 120.400 -0.103 0.000 2.325 161 D HA 0.156 4.796 4.640 0.001 0.000 0.262 161 D C 0.145 176.303 176.300 -0.237 0.000 1.263 161 D CA -0.534 53.388 54.000 -0.129 0.000 1.020 161 D CB -0.211 40.528 40.800 -0.102 0.000 1.117 161 D HN 0.722 nan 8.370 nan 0.000 0.545 162 N N -2.268 116.250 118.700 -0.303 0.000 2.458 162 N HA 0.100 4.840 4.740 0.001 0.000 0.274 162 N C -0.818 174.267 175.510 -0.707 0.000 1.242 162 N CA -0.640 52.010 53.050 -0.667 0.000 0.904 162 N CB -0.314 37.917 38.487 -0.427 0.000 1.206 162 N HN 0.246 nan 8.380 nan 0.000 0.510 163 N N 1.010 119.461 118.700 -0.414 0.000 3.124 163 N HA 0.132 4.872 4.740 0.001 0.000 0.284 163 N C -1.043 174.365 175.510 -0.170 0.000 1.209 163 N CA -0.584 52.339 53.050 -0.212 0.000 1.149 163 N CB -0.310 38.120 38.487 -0.095 0.000 1.434 163 N HN 0.142 nan 8.380 nan 0.000 0.529 164 F N 0.769 120.725 119.950 0.011 0.000 2.623 164 F HA 0.181 4.709 4.527 0.001 0.000 0.383 164 F C 2.001 177.805 175.800 0.006 0.000 1.077 164 F CA 1.301 59.302 58.000 0.002 0.000 1.268 164 F CB 0.187 39.187 39.000 -0.001 0.000 1.053 164 F HN 0.480 nan 8.300 nan 0.000 0.571 165 G N 1.322 110.221 108.800 0.166 0.000 2.493 165 G HA2 -0.195 3.766 3.960 0.001 0.000 0.206 165 G HA3 -0.195 3.766 3.960 0.001 0.000 0.206 165 G C 0.125 175.076 174.900 0.084 0.000 1.109 165 G CA -0.062 45.107 45.100 0.114 0.000 0.689 165 G HN 1.340 nan 8.290 nan 0.000 0.516 166 S N -0.133 115.603 115.700 0.060 0.000 2.564 166 S HA 0.760 5.230 4.470 0.001 0.000 0.141 166 S C -0.093 174.518 174.600 0.018 0.000 1.474 166 S CA 0.825 59.059 58.200 0.056 0.000 1.236 166 S CB 0.766 64.010 63.200 0.072 0.000 1.481 166 S HN 2.012 nan 8.310 nan 0.000 0.397 167 A N 2.856 125.667 122.820 -0.016 0.000 2.440 167 A HA 0.637 4.957 4.320 0.001 0.000 0.251 167 A C 0.707 178.286 177.584 -0.008 0.000 1.089 167 A CA -0.698 51.304 52.037 -0.059 0.000 0.779 167 A CB 0.250 19.180 19.000 -0.116 0.000 1.022 167 A HN 0.937 nan 8.150 nan 0.000 0.492 168 R N 1.707 122.198 120.500 -0.015 0.000 2.404 168 R HA 0.525 4.865 4.340 0.001 0.000 0.291 168 R C -1.129 175.170 176.300 -0.002 0.000 1.025 168 R CA -0.673 55.440 56.100 0.021 0.000 0.991 168 R CB 0.719 31.026 30.300 0.011 0.000 1.053 168 R HN 0.282 nan 8.270 nan 0.000 0.479 169 V N 4.103 124.031 119.914 0.023 0.000 2.485 169 V HA -0.041 4.080 4.120 0.001 0.000 0.287 169 V C 1.449 177.521 176.094 -0.037 0.000 1.022 169 V CA 0.318 62.598 62.300 -0.033 0.000 1.067 169 V CB 0.798 32.577 31.823 -0.073 0.000 0.967 169 V HN 0.941 nan 8.190 nan 0.000 0.479 170 K N 4.505 124.876 120.400 -0.048 0.000 2.166 170 K HA 0.195 4.515 4.320 0.001 0.000 0.201 170 K C 0.879 177.456 176.600 -0.037 0.000 1.052 170 K CA 0.470 56.732 56.287 -0.041 0.000 0.969 170 K CB 0.399 32.873 32.500 -0.044 0.000 0.761 170 K HN 0.643 nan 8.250 nan 0.000 0.459 171 R N -0.059 120.415 120.500 -0.043 0.000 2.644 171 R HA 0.328 4.668 4.340 0.001 0.000 0.257 171 R C -1.963 174.319 176.300 -0.031 0.000 1.082 171 R CA -0.526 55.557 56.100 -0.029 0.000 0.927 171 R CB 1.132 31.416 30.300 -0.026 0.000 1.258 171 R HN 0.002 nan 8.270 nan 0.000 0.459 172 L N 2.597 123.816 121.223 -0.006 0.000 2.365 172 L HA 0.493 4.834 4.340 0.001 0.000 0.273 172 L C -0.086 176.791 176.870 0.011 0.000 1.000 172 L CA -0.376 54.466 54.840 0.004 0.000 0.819 172 L CB 2.174 44.260 42.059 0.045 0.000 1.284 172 L HN 0.743 nan 8.230 nan 0.000 0.418 173 E N 1.970 122.170 120.200 -0.000 0.000 3.157 173 E HA 0.085 4.436 4.350 0.001 0.000 0.203 173 E C 0.832 177.431 176.600 -0.000 0.000 0.982 173 E CA -0.090 56.309 56.400 -0.001 0.000 1.217 173 E CB 1.143 30.837 29.700 -0.010 0.000 1.123 173 E HN 0.463 nan 8.360 nan 0.000 0.457 174 V N 0.845 120.764 119.914 0.009 0.000 2.307 174 V HA -0.261 3.859 4.120 0.001 0.000 0.245 174 V C 2.215 178.311 176.094 0.004 0.000 1.045 174 V CA 1.691 63.995 62.300 0.007 0.000 1.024 174 V CB -0.205 31.630 31.823 0.020 0.000 0.651 174 V HN 0.265 nan 8.190 nan 0.000 0.449 175 K N -0.119 120.283 120.400 0.003 0.000 2.057 175 K HA -0.223 4.098 4.320 0.001 0.000 0.207 175 K C 2.196 178.794 176.600 -0.005 0.000 1.049 175 K CA 1.819 58.103 56.287 -0.004 0.000 0.931 175 K CB -0.180 32.314 32.500 -0.010 0.000 0.714 175 K HN 0.474 nan 8.250 nan 0.000 0.440 176 E N 0.167 120.364 120.200 -0.004 0.000 2.085 176 E HA -0.166 4.184 4.350 0.001 0.000 0.194 176 E C 1.993 178.590 176.600 -0.006 0.000 0.994 176 E CA 1.222 57.618 56.400 -0.006 0.000 0.801 176 E CB 0.093 29.789 29.700 -0.006 0.000 0.743 176 E HN 0.143 nan 8.360 nan 0.000 0.453 177 R N -0.305 120.191 120.500 -0.005 0.000 2.090 177 R HA 0.141 4.482 4.340 0.001 0.000 0.219 177 R C 2.343 178.641 176.300 -0.004 0.000 1.100 177 R CA 0.706 56.803 56.100 -0.006 0.000 0.991 177 R CB -0.304 29.992 30.300 -0.007 0.000 0.893 177 R HN 0.255 nan 8.270 nan 0.000 0.443 178 L N 0.149 121.371 121.223 -0.002 0.000 2.298 178 L HA 0.008 4.349 4.340 0.001 0.000 0.209 178 L C 2.082 178.951 176.870 -0.000 0.000 1.084 178 L CA 0.043 54.883 54.840 0.000 0.000 0.816 178 L CB -0.312 41.749 42.059 0.003 0.000 0.967 178 L HN 0.011 nan 8.230 nan 0.000 0.460 179 L N 1.028 122.250 121.223 -0.002 0.000 1.997 179 L HA -0.164 4.176 4.340 0.001 0.000 0.216 179 L C -0.254 176.614 176.870 -0.003 0.000 1.074 179 L CA 2.425 57.263 54.840 -0.003 0.000 0.763 179 L CB -1.899 40.156 42.059 -0.005 0.000 0.890 179 L HN 0.110 nan 8.230 nan 0.000 0.434 180 P HA -0.152 nan 4.420 nan 0.000 0.220 180 P C 1.646 178.944 177.300 -0.003 0.000 1.144 180 P CA 1.066 64.164 63.100 -0.004 0.000 0.800 180 P CB 0.121 31.819 31.700 -0.004 0.000 0.772 181 L N -2.088 119.134 121.223 -0.002 0.000 2.168 181 L HA 0.031 4.372 4.340 0.001 0.000 0.203 181 L C 2.309 179.178 176.870 -0.001 0.000 1.078 181 L CA 1.332 56.171 54.840 -0.002 0.000 0.780 181 L CB -1.483 40.576 42.059 -0.001 0.000 0.939 181 L HN -0.087 nan 8.230 nan 0.000 0.451 182 L N -0.544 120.679 121.223 0.000 0.000 2.093 182 L HA -0.209 4.131 4.340 0.001 0.000 0.208 182 L C 2.539 179.408 176.870 -0.001 0.000 1.085 182 L CA 1.079 55.919 54.840 0.001 0.000 0.755 182 L CB -0.501 41.560 42.059 0.003 0.000 0.904 182 L HN 0.286 nan 8.230 nan 0.000 0.435 183 K N 0.209 120.608 120.400 -0.002 0.000 2.103 183 K HA -0.181 4.139 4.320 0.001 0.000 0.207 183 K C 1.425 178.023 176.600 -0.003 0.000 1.048 183 K CA 1.240 57.525 56.287 -0.003 0.000 0.930 183 K CB 0.175 32.673 32.500 -0.003 0.000 0.716 183 K HN 0.255 nan 8.250 nan 0.000 0.444 184 E N -0.918 119.280 120.200 -0.003 0.000 2.444 184 E HA 0.049 4.399 4.350 0.001 0.000 0.191 184 E C 0.682 177.279 176.600 -0.005 0.000 1.041 184 E CA 0.575 56.973 56.400 -0.004 0.000 0.883 184 E CB 0.946 30.643 29.700 -0.004 0.000 1.024 184 E HN 0.566 nan 8.360 nan 0.000 0.470 185 G N 1.840 110.637 108.800 -0.004 0.000 2.159 185 G HA2 -0.297 3.664 3.960 0.001 0.000 0.256 185 G HA3 -0.297 3.664 3.960 0.001 0.000 0.256 185 G C 0.378 175.275 174.900 -0.006 0.000 0.977 185 G CA 0.062 45.159 45.100 -0.005 0.000 0.652 185 G HN 0.293 nan 8.290 nan 0.000 0.531 186 I N 1.108 121.675 120.570 -0.005 0.000 2.496 186 I HA 0.288 4.459 4.170 0.001 0.000 0.285 186 I C 0.935 177.050 176.117 -0.003 0.000 1.080 186 I CA -0.408 60.889 61.300 -0.006 0.000 1.404 186 I CB 0.887 38.884 38.000 -0.005 0.000 1.403 186 I HN 0.017 nan 8.210 nan 0.000 0.539 187 I N 8.857 129.424 120.570 -0.006 0.000 2.281 187 I HA 0.221 4.391 4.170 0.001 0.000 0.293 187 I C -2.226 173.891 176.117 0.001 0.000 1.085 187 I CA -1.818 59.481 61.300 -0.002 0.000 1.257 187 I CB 0.168 38.163 38.000 -0.009 0.000 1.430 187 I HN 0.235 nan 8.210 nan 0.000 0.489 188 P HA 0.086 nan 4.420 nan 0.000 0.276 188 P C -0.460 176.851 177.300 0.018 0.000 1.243 188 P CA -0.136 62.970 63.100 0.010 0.000 0.768 188 P CB 0.837 32.543 31.700 0.011 0.000 0.856 189 V N 5.559 125.482 119.914 0.016 0.000 2.334 189 V HA 0.152 4.272 4.120 0.001 0.000 0.267 189 V C 0.340 176.453 176.094 0.032 0.000 1.040 189 V CA -0.423 61.893 62.300 0.028 0.000 0.866 189 V CB 1.193 33.025 31.823 0.014 0.000 1.019 189 V HN 0.254 nan 8.190 nan 0.000 0.468 190 V N 4.213 124.153 119.914 0.043 0.000 2.427 190 V HA 0.334 4.455 4.120 0.001 0.000 0.286 190 V C 0.755 176.879 176.094 0.050 0.000 1.034 190 V CA -0.652 61.670 62.300 0.036 0.000 0.893 190 V CB 1.966 33.806 31.823 0.028 0.000 0.982 190 V HN 0.966 nan 8.190 nan 0.000 0.452 191 T N 2.269 116.848 114.554 0.042 0.000 2.793 191 T HA 0.321 4.671 4.350 0.001 0.000 0.289 191 T C 0.773 175.518 174.700 0.076 0.000 0.956 191 T CA 0.027 62.163 62.100 0.060 0.000 1.177 191 T CB 0.398 69.289 68.868 0.038 0.000 0.897 191 T HN 0.985 nan 8.240 nan 0.000 0.533 192 G N 1.853 110.721 108.800 0.112 0.000 2.712 192 G HA2 0.378 4.338 3.960 0.001 0.000 0.258 192 G HA3 0.378 4.338 3.960 0.001 0.000 0.258 192 G C 0.225 175.267 174.900 0.236 0.000 1.241 192 G CA -0.408 44.775 45.100 0.139 0.000 0.923 192 G HN 1.307 nan 8.290 nan 0.000 0.548 193 F N -2.163 117.791 119.950 0.008 0.000 2.558 193 F HA -0.259 4.269 4.527 0.001 0.000 0.554 193 F C 0.461 176.268 175.800 0.011 0.000 0.517 193 F CA 1.201 59.211 58.000 0.017 0.000 1.084 193 F CB -1.212 37.811 39.000 0.038 0.000 1.821 193 F HN 0.625 nan 8.300 nan 0.000 0.262 194 I N -0.569 119.972 120.570 -0.049 0.000 2.785 194 I HA 0.901 5.072 4.170 0.001 0.000 0.302 194 I C 0.158 176.219 176.117 -0.094 0.000 1.069 194 I CA -0.069 61.136 61.300 -0.158 0.000 1.045 194 I CB 2.018 39.933 38.000 -0.141 0.000 1.236 194 I HN 0.092 nan 8.210 nan 0.000 0.429 195 G N 1.578 110.323 108.800 -0.092 0.000 3.058 195 G HA2 0.621 4.581 3.960 0.001 0.000 0.282 195 G HA3 0.621 4.581 3.960 0.001 0.000 0.282 195 G C -1.527 173.352 174.900 -0.035 0.000 1.248 195 G CA -0.554 44.506 45.100 -0.067 0.000 0.822 195 G HN 0.698 nan 8.290 nan 0.000 0.579 196 T N -0.431 114.104 114.554 -0.032 0.000 2.886 196 T HA 0.585 4.935 4.350 0.001 0.000 0.292 196 T C 0.030 174.716 174.700 -0.024 0.000 1.012 196 T CA -0.192 61.905 62.100 -0.006 0.000 0.982 196 T CB 1.372 70.235 68.868 -0.009 0.000 1.018 196 T HN 0.492 nan 8.240 nan 0.000 0.451 197 T N 2.808 117.363 114.554 0.002 0.000 2.855 197 T HA 0.040 4.390 4.350 0.001 0.000 0.322 197 T C 1.361 176.020 174.700 -0.068 0.000 1.088 197 T CA 0.152 62.234 62.100 -0.029 0.000 1.104 197 T CB 0.639 69.546 68.868 0.065 0.000 0.996 197 T HN 0.771 nan 8.240 nan 0.000 0.549 198 E N 1.204 121.357 120.200 -0.078 0.000 2.160 198 E HA -0.130 4.220 4.350 0.001 0.000 0.195 198 E C 1.806 178.331 176.600 -0.124 0.000 0.991 198 E CA 1.249 57.598 56.400 -0.084 0.000 0.810 198 E CB 0.094 29.755 29.700 -0.065 0.000 0.742 198 E HN 0.725 nan 8.360 nan 0.000 0.466 199 E N -1.389 118.690 120.200 -0.203 0.000 2.403 199 E HA 0.110 4.460 4.350 0.001 0.000 0.188 199 E C 0.872 177.216 176.600 -0.427 0.000 1.056 199 E CA 0.591 56.804 56.400 -0.312 0.000 0.892 199 E CB 0.392 29.868 29.700 -0.375 0.000 1.049 199 E HN 0.267 nan 8.360 nan 0.000 0.465 200 G N 0.944 109.580 108.800 -0.275 0.000 2.176 200 G HA2 -0.274 3.687 3.960 0.001 0.000 0.232 200 G HA3 -0.274 3.687 3.960 0.001 0.000 0.232 200 G C -0.232 174.643 174.900 -0.041 0.000 0.986 200 G CA -0.030 44.974 45.100 -0.160 0.000 0.643 200 G HN 0.244 nan 8.290 nan 0.000 0.522 201 Y N 0.926 121.271 120.300 0.076 0.000 2.526 201 Y HA 0.494 5.044 4.550 0.001 0.000 0.330 201 Y C 1.620 177.616 175.900 0.161 0.000 1.156 201 Y CA -1.186 56.995 58.100 0.135 0.000 1.419 201 Y CB 0.229 38.839 38.460 0.250 0.000 1.250 201 Y HN 0.189 nan 8.280 nan 0.000 0.540 202 I N 2.608 123.376 120.570 0.330 0.000 2.648 202 I HA 0.048 4.218 4.170 0.001 0.000 0.284 202 I C 0.588 176.864 176.117 0.264 0.000 1.153 202 I CA 0.647 62.076 61.300 0.216 0.000 1.426 202 I CB 0.578 38.676 38.000 0.162 0.000 1.381 202 I HN 0.580 nan 8.210 nan 0.000 0.571 203 T N 4.078 118.708 114.554 0.127 0.000 2.893 203 T HA 0.437 4.788 4.350 0.001 0.000 0.293 203 T C -0.338 174.310 174.700 -0.086 0.000 1.027 203 T CA -0.568 61.593 62.100 0.102 0.000 0.988 203 T CB 1.289 70.159 68.868 0.003 0.000 1.043 203 T HN 0.749 nan 8.240 nan 0.000 0.461 204 T N 1.539 116.001 114.554 -0.154 0.000 2.929 204 T HA 0.588 4.938 4.350 0.001 0.000 0.284 204 T C 0.729 175.287 174.700 -0.236 0.000 1.014 204 T CA -0.851 60.977 62.100 -0.452 0.000 1.051 204 T CB 0.789 69.163 68.868 -0.823 0.000 1.028 204 T HN 0.435 nan 8.240 nan 0.000 0.485 205 L N 1.325 122.420 121.223 -0.213 0.000 2.872 205 L HA 0.508 4.849 4.340 0.001 0.000 0.245 205 L C 1.209 178.154 176.870 0.126 0.000 1.211 205 L CA -0.303 54.548 54.840 0.019 0.000 1.013 205 L CB -0.678 41.431 42.059 0.083 0.000 1.326 205 L HN 1.245 nan 8.230 nan 0.000 0.525 206 G N 0.385 109.298 108.800 0.188 0.000 2.719 206 G HA2 -0.146 3.814 3.960 0.001 0.000 0.686 206 G HA3 -0.146 3.814 3.960 0.001 0.000 0.686 206 G C -0.629 174.562 174.900 0.486 0.000 1.201 206 G CA -1.132 44.152 45.100 0.307 0.000 0.768 206 G HN 0.064 nan 8.290 nan 0.000 0.629 207 R N 0.637 121.372 120.500 0.390 0.000 2.570 207 R HA 0.445 4.786 4.340 0.001 0.000 0.277 207 R C 1.658 178.098 176.300 0.234 0.000 1.039 207 R CA 0.984 57.219 56.100 0.224 0.000 1.065 207 R CB 0.209 30.582 30.300 0.122 0.000 0.964 207 R HN 2.460 nan 8.270 nan 0.000 0.428 208 G N 1.463 110.312 108.800 0.081 0.000 2.159 208 G HA2 -0.268 3.692 3.960 0.001 0.000 0.256 208 G HA3 -0.268 3.692 3.960 0.001 0.000 0.256 208 G C 0.839 175.842 174.900 0.172 0.000 0.977 208 G CA 0.312 45.510 45.100 0.164 0.000 0.652 208 G HN 0.760 nan 8.290 nan 0.000 0.531 209 G N 0.077 108.953 108.800 0.127 0.000 2.956 209 G HA2 0.300 4.261 3.960 0.001 0.000 0.207 209 G HA3 0.300 4.261 3.960 0.001 0.000 0.207 209 G C 1.510 176.499 174.900 0.147 0.000 1.162 209 G CA 1.556 46.670 45.100 0.024 0.000 0.796 209 G HN 0.608 nan 8.290 nan 0.000 0.527 210 S N 0.754 116.541 115.700 0.145 0.000 2.423 210 S HA -0.074 4.396 4.470 0.001 0.000 0.231 210 S C 1.923 176.591 174.600 0.113 0.000 1.014 210 S CA 0.948 59.225 58.200 0.130 0.000 0.965 210 S CB -0.053 63.210 63.200 0.105 0.000 0.785 210 S HN 0.362 nan 8.310 nan 0.000 0.495 211 D N 0.274 120.749 120.400 0.126 0.000 2.117 211 D HA -0.087 4.554 4.640 0.001 0.000 0.198 211 D C 1.620 178.027 176.300 0.178 0.000 0.982 211 D CA 0.934 55.018 54.000 0.140 0.000 0.828 211 D CB -0.352 40.549 40.800 0.167 0.000 0.967 211 D HN 0.367 nan 8.370 nan 0.000 0.464 212 Y N 2.239 122.533 120.300 -0.009 0.000 2.181 212 Y HA -0.205 4.345 4.550 0.001 0.000 0.288 212 Y C 2.400 178.290 175.900 -0.017 0.000 1.146 212 Y CA 1.020 59.096 58.100 -0.040 0.000 1.164 212 Y CB -0.576 37.778 38.460 -0.176 0.000 0.982 212 Y HN -0.130 nan 8.280 nan 0.000 0.515 213 S N 0.683 116.355 115.700 -0.046 0.000 2.359 213 S HA -0.306 4.165 4.470 0.001 0.000 0.223 213 S C 2.369 176.941 174.600 -0.047 0.000 1.039 213 S CA 1.544 59.679 58.200 -0.110 0.000 1.042 213 S CB -1.140 62.049 63.200 -0.019 0.000 0.915 213 S HN 0.615 nan 8.310 nan 0.000 0.439 214 A N 1.788 124.623 122.820 0.026 0.000 1.917 214 A HA -0.035 4.285 4.320 0.001 0.000 0.219 214 A C 2.408 180.025 177.584 0.055 0.000 1.182 214 A CA 2.053 54.118 52.037 0.047 0.000 0.633 214 A CB -1.246 17.792 19.000 0.064 0.000 0.819 214 A HN 0.584 nan 8.150 nan 0.000 0.448 215 A N -0.574 122.293 122.820 0.077 0.000 1.898 215 A HA 0.018 4.338 4.320 0.001 0.000 0.216 215 A C 2.173 179.798 177.584 0.068 0.000 1.181 215 A CA 1.442 53.542 52.037 0.106 0.000 0.620 215 A CB -0.565 18.543 19.000 0.179 0.000 0.819 215 A HN 0.474 nan 8.150 nan 0.000 0.442 216 L N -0.690 120.499 121.223 -0.056 0.000 2.046 216 L HA -0.169 4.171 4.340 0.001 0.000 0.208 216 L C 2.455 179.335 176.870 0.017 0.000 1.077 216 L CA 1.222 55.998 54.840 -0.107 0.000 0.747 216 L CB -0.474 41.395 42.059 -0.317 0.000 0.896 216 L HN 0.367 nan 8.230 nan 0.000 0.432 217 I N -0.403 120.170 120.570 0.006 0.000 2.202 217 I HA -0.189 3.982 4.170 0.001 0.000 0.242 217 I C 2.671 178.824 176.117 0.060 0.000 1.091 217 I CA 1.424 62.742 61.300 0.030 0.000 1.368 217 I CB -0.906 37.104 38.000 0.018 0.000 1.058 217 I HN 0.252 nan 8.210 nan 0.000 0.410 218 G N 0.057 108.900 108.800 0.072 0.000 2.476 218 G HA2 -0.364 3.596 3.960 0.001 0.000 0.218 218 G HA3 -0.364 3.596 3.960 0.001 0.000 0.218 218 G C 1.685 176.641 174.900 0.093 0.000 1.164 218 G CA 1.169 46.316 45.100 0.078 0.000 0.768 218 G HN 0.420 nan 8.290 nan 0.000 0.560 219 Y N 1.725 122.024 120.300 -0.002 0.000 2.145 219 Y HA -0.037 4.513 4.550 0.001 0.000 0.286 219 Y C 2.825 178.717 175.900 -0.013 0.000 1.145 219 Y CA 1.859 59.955 58.100 -0.008 0.000 1.148 219 Y CB -0.474 37.978 38.460 -0.013 0.000 0.981 219 Y HN 0.133 nan 8.280 nan 0.000 0.507 220 G N 0.026 108.942 108.800 0.193 0.000 2.432 220 G HA2 -0.201 3.759 3.960 0.001 0.000 0.219 220 G HA3 -0.201 3.759 3.960 0.001 0.000 0.219 220 G C 1.444 176.338 174.900 -0.009 0.000 1.135 220 G CA 1.115 46.272 45.100 0.095 0.000 0.767 220 G HN 0.461 nan 8.290 nan 0.000 0.550 221 L N -0.133 121.086 121.223 -0.008 0.000 2.567 221 L HA 0.163 4.504 4.340 0.001 0.000 0.225 221 L C 0.314 177.158 176.870 -0.045 0.000 1.119 221 L CA 0.005 54.833 54.840 -0.019 0.000 0.871 221 L CB -0.000 42.060 42.059 0.003 0.000 1.036 221 L HN 0.080 nan 8.230 nan 0.000 0.459 222 D N 0.655 121.004 120.400 -0.084 0.000 2.723 222 D HA -0.164 4.476 4.640 0.001 0.000 0.236 222 D C 0.580 176.858 176.300 -0.035 0.000 1.138 222 D CA 0.858 54.804 54.000 -0.089 0.000 0.676 222 D CB -0.827 39.917 40.800 -0.092 0.000 1.069 222 D HN 0.348 nan 8.370 nan 0.000 0.430 223 A N 0.288 123.102 122.820 -0.010 0.000 2.507 223 A HA 0.053 4.374 4.320 0.001 0.000 0.235 223 A C 1.373 178.969 177.584 0.020 0.000 1.070 223 A CA 0.313 52.358 52.037 0.014 0.000 0.768 223 A CB 0.494 19.514 19.000 0.033 0.000 1.011 223 A HN 0.118 nan 8.150 nan 0.000 0.502 224 D N -0.387 120.028 120.400 0.025 0.000 2.234 224 D HA 0.102 4.743 4.640 0.001 0.000 0.205 224 D C 0.215 176.539 176.300 0.040 0.000 0.962 224 D CA 1.486 55.503 54.000 0.028 0.000 0.855 224 D CB 0.212 41.026 40.800 0.025 0.000 0.951 224 D HN 0.493 nan 8.370 nan 0.000 0.500 225 I N 0.043 120.641 120.570 0.047 0.000 2.787 225 I HA 0.219 4.389 4.170 0.001 0.000 0.294 225 I C -1.765 174.389 176.117 0.062 0.000 1.365 225 I CA -0.614 60.719 61.300 0.054 0.000 1.029 225 I CB 2.366 40.393 38.000 0.046 0.000 1.313 225 I HN -0.321 nan 8.210 nan 0.000 0.431 226 I N 6.633 127.242 120.570 0.065 0.000 2.330 226 I HA 0.342 4.512 4.170 0.001 0.000 0.286 226 I C -0.490 175.652 176.117 0.042 0.000 1.025 226 I CA -0.324 61.015 61.300 0.066 0.000 1.197 226 I CB 1.199 39.249 38.000 0.083 0.000 1.358 226 I HN 0.459 nan 8.210 nan 0.000 0.467 227 E N 6.719 126.951 120.200 0.053 0.000 2.146 227 E HA 0.404 4.754 4.350 0.001 0.000 0.282 227 E C -0.721 175.872 176.600 -0.012 0.000 0.989 227 E CA -0.639 55.768 56.400 0.013 0.000 0.799 227 E CB 1.884 31.699 29.700 0.192 0.000 1.088 227 E HN 0.371 nan 8.360 nan 0.000 0.397 228 I N 3.591 124.075 120.570 -0.143 0.000 2.330 228 I HA 0.169 4.339 4.170 0.001 0.000 0.286 228 I C -0.766 175.212 176.117 -0.231 0.000 1.025 228 I CA -0.592 60.643 61.300 -0.107 0.000 1.197 228 I CB 0.027 37.996 38.000 -0.051 0.000 1.358 228 I HN 0.507 nan 8.210 nan 0.000 0.467 229 W N 5.955 127.075 121.300 -0.299 0.000 2.311 229 W HA 0.438 5.098 4.660 0.001 0.000 0.317 229 W C 0.980 177.462 176.519 -0.060 0.000 1.065 229 W CA -0.131 57.069 57.345 -0.243 0.000 1.364 229 W CB 1.248 30.374 29.460 -0.556 0.000 1.233 229 W HN 0.437 nan 8.180 nan 0.000 0.409 230 T N 0.708 115.353 114.554 0.152 0.000 2.708 230 T HA 0.225 4.576 4.350 0.001 0.000 0.256 230 T C 0.202 175.050 174.700 0.246 0.000 0.946 230 T CA -0.420 61.782 62.100 0.171 0.000 1.039 230 T CB 0.883 69.808 68.868 0.096 0.000 1.557 230 T HN 0.362 nan 8.240 nan 0.000 0.576 231 D N 0.543 121.087 120.400 0.241 0.000 2.538 231 D HA 0.283 4.924 4.640 0.001 0.000 0.231 231 D C 0.137 176.544 176.300 0.179 0.000 1.229 231 D CA -0.242 53.971 54.000 0.355 0.000 0.828 231 D CB -0.393 40.605 40.800 0.330 0.000 1.035 231 D HN 0.432 nan 8.370 nan 0.000 0.495 232 V N -3.747 116.229 119.914 0.105 0.000 3.078 232 V HA 0.610 4.730 4.120 0.001 0.000 0.311 232 V C 0.181 176.361 176.094 0.144 0.000 1.138 232 V CA -1.036 61.275 62.300 0.018 0.000 1.007 232 V CB 1.809 33.479 31.823 -0.256 0.000 1.045 232 V HN -0.104 nan 8.190 nan 0.000 0.432 233 S N 2.200 118.078 115.700 0.297 0.000 3.324 233 S HA 0.651 5.122 4.470 0.001 0.000 0.229 233 S C 0.692 175.434 174.600 0.237 0.000 1.417 233 S CA 0.497 58.840 58.200 0.239 0.000 1.211 233 S CB -0.881 62.442 63.200 0.206 0.000 1.157 233 S HN 1.925 nan 8.310 nan 0.000 0.491 234 G N 0.198 109.117 108.800 0.199 0.000 2.384 234 G HA2 -0.105 3.855 3.960 0.001 0.000 0.204 234 G HA3 -0.105 3.855 3.960 0.001 0.000 0.204 234 G C -1.030 174.015 174.900 0.242 0.000 1.237 234 G CA -0.856 44.319 45.100 0.126 0.000 1.060 234 G HN 0.341 nan 8.290 nan 0.000 0.514 235 V N 1.102 121.118 119.914 0.171 0.000 2.439 235 V HA 0.612 4.733 4.120 0.001 0.000 0.282 235 V C -0.139 176.114 176.094 0.265 0.000 1.039 235 V CA -0.291 62.135 62.300 0.208 0.000 0.913 235 V CB 0.920 32.801 31.823 0.096 0.000 0.983 235 V HN 0.601 nan 8.190 nan 0.000 0.460 236 Y N 1.523 121.836 120.300 0.021 0.000 2.534 236 Y HA 0.228 4.779 4.550 0.001 0.000 0.329 236 Y C 1.980 177.915 175.900 0.059 0.000 1.154 236 Y CA -0.496 57.626 58.100 0.037 0.000 1.192 236 Y CB 1.903 40.381 38.460 0.031 0.000 1.275 236 Y HN 0.779 nan 8.280 nan 0.000 0.491 237 T N -2.842 111.843 114.554 0.217 0.000 2.869 237 T HA -0.107 4.244 4.350 0.001 0.000 0.270 237 T C 0.587 175.435 174.700 0.246 0.000 1.082 237 T CA 1.736 63.966 62.100 0.217 0.000 1.123 237 T CB -0.196 68.839 68.868 0.278 0.000 0.856 237 T HN 0.665 nan 8.240 nan 0.000 0.499 238 T N -0.462 114.219 114.554 0.211 0.000 2.658 238 T HA 0.303 4.653 4.350 0.001 0.000 0.306 238 T C -2.187 172.551 174.700 0.064 0.000 1.544 238 T CA -0.701 61.467 62.100 0.113 0.000 0.991 238 T CB 1.311 70.222 68.868 0.072 0.000 1.774 238 T HN 0.077 nan 8.240 nan 0.000 0.479 239 D N 1.561 121.964 120.400 0.004 0.000 2.382 239 D HA 0.270 4.911 4.640 0.001 0.000 0.259 239 D C -1.597 174.654 176.300 -0.081 0.000 1.224 239 D CA -1.727 52.248 54.000 -0.043 0.000 0.894 239 D CB 1.548 42.325 40.800 -0.038 0.000 1.127 239 D HN 0.134 nan 8.370 nan 0.000 0.487 240 P HA -0.067 nan 4.420 nan 0.000 0.223 240 P C 0.911 178.148 177.300 -0.105 0.000 1.144 240 P CA 0.913 63.926 63.100 -0.145 0.000 0.783 240 P CB 0.272 31.776 31.700 -0.326 0.000 0.771 241 R N -1.408 119.034 120.500 -0.097 0.000 2.173 241 R HA 0.152 4.492 4.340 0.001 0.000 0.208 241 R C 2.087 178.355 176.300 -0.054 0.000 1.035 241 R CA 0.549 56.607 56.100 -0.070 0.000 1.004 241 R CB -0.458 29.803 30.300 -0.065 0.000 0.917 241 R HN 0.228 nan 8.270 nan 0.000 0.462 242 L N -0.167 121.023 121.223 -0.055 0.000 2.102 242 L HA 0.047 4.387 4.340 0.001 0.000 0.202 242 L C 0.345 177.179 176.870 -0.060 0.000 1.076 242 L CA 0.644 55.456 54.840 -0.046 0.000 0.761 242 L CB 0.255 42.291 42.059 -0.038 0.000 0.921 242 L HN -0.110 nan 8.230 nan 0.000 0.444 243 V N 0.304 120.161 119.914 -0.096 0.000 2.325 243 V HA 0.199 4.320 4.120 0.001 0.000 0.280 243 V C -1.709 174.319 176.094 -0.110 0.000 1.016 243 V CA -0.999 61.217 62.300 -0.140 0.000 0.818 243 V CB 1.222 32.857 31.823 -0.314 0.000 1.019 243 V HN -0.024 nan 8.190 nan 0.000 0.434 244 P HA -0.117 nan 4.420 nan 0.000 0.218 244 P C 1.476 178.785 177.300 0.015 0.000 1.148 244 P CA 1.349 64.438 63.100 -0.019 0.000 0.822 244 P CB 0.028 31.723 31.700 -0.008 0.000 0.784 245 T N -3.388 111.171 114.554 0.007 0.000 3.284 245 T HA 0.346 4.696 4.350 0.001 0.000 0.252 245 T C 0.833 175.610 174.700 0.128 0.000 1.144 245 T CA -0.203 61.940 62.100 0.072 0.000 1.021 245 T CB -0.932 67.998 68.868 0.104 0.000 0.984 245 T HN 0.055 nan 8.240 nan 0.000 0.545 246 A N 2.678 125.534 122.820 0.059 0.000 2.520 246 A HA 0.451 4.771 4.320 0.001 0.000 0.245 246 A C 0.530 178.285 177.584 0.285 0.000 1.072 246 A CA -0.537 51.609 52.037 0.182 0.000 0.761 246 A CB 0.262 19.369 19.000 0.178 0.000 1.004 246 A HN 0.455 nan 8.150 nan 0.000 0.499 247 R N 2.137 122.740 120.500 0.172 0.000 2.474 247 R HA 0.346 4.686 4.340 0.001 0.000 0.295 247 R C 0.131 176.174 176.300 -0.429 0.000 0.980 247 R CA -0.807 55.238 56.100 -0.092 0.000 0.934 247 R CB 0.993 31.277 30.300 -0.028 0.000 1.101 247 R HN 0.867 nan 8.270 nan 0.000 0.469 248 R N 2.420 122.477 120.500 -0.739 0.000 2.522 248 R HA 0.101 4.441 4.340 0.001 0.000 0.284 248 R C -0.420 175.697 176.300 -0.304 0.000 1.032 248 R CA 0.052 55.710 56.100 -0.737 0.000 1.049 248 R CB 0.263 30.231 30.300 -0.553 0.000 0.956 248 R HN 0.560 nan 8.270 nan 0.000 0.422 249 I N 8.582 129.032 120.570 -0.199 0.000 2.306 249 I HA 0.201 4.371 4.170 0.001 0.000 0.288 249 I C -1.610 174.453 176.117 -0.090 0.000 1.036 249 I CA -2.450 58.789 61.300 -0.102 0.000 1.221 249 I CB 1.797 39.767 38.000 -0.050 0.000 1.385 249 I HN 0.540 nan 8.210 nan 0.000 0.472 250 P HA -0.120 nan 4.420 nan 0.000 0.216 250 P C -0.249 177.011 177.300 -0.067 0.000 1.153 250 P CA 1.474 64.530 63.100 -0.074 0.000 0.858 250 P CB 0.220 31.882 31.700 -0.063 0.000 0.789 251 K N -1.263 119.099 120.400 -0.063 0.000 2.464 251 K HA 0.580 4.900 4.320 0.001 0.000 0.253 251 K C -1.417 175.143 176.600 -0.067 0.000 0.933 251 K CA -0.717 55.529 56.287 -0.068 0.000 0.801 251 K CB 2.018 34.479 32.500 -0.064 0.000 1.271 251 K HN -0.230 nan 8.250 nan 0.000 0.430 252 L N 1.139 122.312 121.223 -0.084 0.000 2.434 252 L HA 0.456 4.796 4.340 0.001 0.000 0.260 252 L C -0.711 176.083 176.870 -0.127 0.000 0.983 252 L CA -0.281 54.513 54.840 -0.077 0.000 0.820 252 L CB 2.315 44.343 42.059 -0.051 0.000 1.361 252 L HN 0.814 nan 8.230 nan 0.000 0.410 253 S N 1.245 116.885 115.700 -0.100 0.000 2.652 253 S HA 0.333 4.804 4.470 0.001 0.000 0.270 253 S C 0.987 175.531 174.600 -0.092 0.000 1.243 253 S CA -0.215 57.906 58.200 -0.133 0.000 0.999 253 S CB 0.514 63.685 63.200 -0.048 0.000 0.973 253 S HN 0.462 nan 8.310 nan 0.000 0.544 254 Y N 0.650 120.955 120.300 0.007 0.000 2.081 254 Y HA -0.126 4.424 4.550 0.001 0.000 0.280 254 Y C 2.285 178.187 175.900 0.005 0.000 1.163 254 Y CA 1.556 59.661 58.100 0.009 0.000 1.135 254 Y CB -0.787 37.679 38.460 0.011 0.000 0.970 254 Y HN 0.673 nan 8.280 nan 0.000 0.498 255 I N 0.311 120.979 120.570 0.164 0.000 2.394 255 I HA -0.218 3.952 4.170 0.001 0.000 0.251 255 I C 1.977 178.132 176.117 0.064 0.000 1.136 255 I CA 1.443 62.795 61.300 0.086 0.000 1.425 255 I CB -0.543 37.491 38.000 0.058 0.000 1.079 255 I HN 0.236 nan 8.210 nan 0.000 0.425 256 E N 0.318 120.549 120.200 0.052 0.000 2.077 256 E HA -0.203 4.148 4.350 0.001 0.000 0.193 256 E C 2.260 178.895 176.600 0.057 0.000 0.989 256 E CA 1.331 57.756 56.400 0.042 0.000 0.800 256 E CB -0.341 29.368 29.700 0.015 0.000 0.746 256 E HN 0.609 nan 8.360 nan 0.000 0.452 257 A N 1.059 123.914 122.820 0.058 0.000 1.898 257 A HA -0.170 4.150 4.320 0.001 0.000 0.216 257 A C 2.132 179.763 177.584 0.080 0.000 1.181 257 A CA 1.269 53.346 52.037 0.066 0.000 0.620 257 A CB -0.462 18.576 19.000 0.064 0.000 0.819 257 A HN 0.219 nan 8.150 nan 0.000 0.442 258 M N -0.565 119.083 119.600 0.080 0.000 2.080 258 M HA -0.187 4.294 4.480 0.001 0.000 0.260 258 M C 1.938 178.273 176.300 0.059 0.000 1.068 258 M CA 1.920 57.249 55.300 0.049 0.000 1.109 258 M CB -0.221 32.388 32.600 0.015 0.000 1.342 258 M HN 0.395 nan 8.290 nan 0.000 0.405 259 E N 0.261 120.515 120.200 0.090 0.000 2.110 259 E HA -0.182 4.168 4.350 0.001 0.000 0.193 259 E C 2.110 178.895 176.600 0.309 0.000 0.988 259 E CA 1.202 57.729 56.400 0.213 0.000 0.804 259 E CB -0.441 29.387 29.700 0.213 0.000 0.745 259 E HN 0.581 nan 8.360 nan 0.000 0.458 260 L N 0.476 121.811 121.223 0.187 0.000 1.994 260 L HA -0.169 4.172 4.340 0.001 0.000 0.208 260 L C 2.551 179.505 176.870 0.140 0.000 1.071 260 L CA 1.218 56.156 54.840 0.163 0.000 0.745 260 L CB -0.468 41.652 42.059 0.103 0.000 0.892 260 L HN 0.083 nan 8.230 nan 0.000 0.431 261 A N -0.977 121.902 122.820 0.098 0.000 1.933 261 A HA -0.308 4.012 4.320 0.001 0.000 0.218 261 A C 2.127 179.714 177.584 0.005 0.000 1.175 261 A CA 1.684 53.748 52.037 0.044 0.000 0.628 261 A CB -0.915 18.104 19.000 0.033 0.000 0.814 261 A HN 0.539 nan 8.150 nan 0.000 0.444 262 Y N -1.384 118.826 120.300 -0.150 0.000 2.373 262 Y HA -0.030 4.520 4.550 0.001 0.000 0.293 262 Y C 1.036 176.683 175.900 -0.421 0.000 1.129 262 Y CA 1.209 59.110 58.100 -0.333 0.000 1.226 262 Y CB -0.062 38.143 38.460 -0.425 0.000 1.000 262 Y HN 0.236 nan 8.280 nan 0.000 0.549 263 F N -0.234 119.722 119.950 0.010 0.000 2.639 263 F HA 0.381 4.908 4.527 0.001 0.000 0.300 263 F C 1.474 177.224 175.800 -0.085 0.000 1.109 263 F CA 0.455 58.410 58.000 -0.076 0.000 1.335 263 F CB 0.763 39.769 39.000 0.011 0.000 1.014 263 F HN 0.135 nan 8.300 nan 0.000 0.537 264 G N -0.445 108.376 108.800 0.035 0.000 2.318 264 G HA2 -0.023 3.938 3.960 0.001 0.000 0.172 264 G HA3 -0.023 3.938 3.960 0.001 0.000 0.172 264 G C 0.294 175.199 174.900 0.007 0.000 1.002 264 G CA -0.386 44.715 45.100 0.002 0.000 0.697 264 G HN 0.443 nan 8.290 nan 0.000 0.483 265 A N 1.208 124.046 122.820 0.030 0.000 2.545 265 A HA 0.572 4.892 4.320 0.001 0.000 0.297 265 A C 1.307 178.899 177.584 0.014 0.000 1.340 265 A CA 1.193 53.249 52.037 0.031 0.000 1.016 265 A CB 0.178 19.211 19.000 0.055 0.000 1.122 265 A HN 0.385 nan 8.150 nan 0.000 0.537 266 K N 2.336 122.738 120.400 0.004 0.000 2.280 266 K HA -0.118 4.203 4.320 0.001 0.000 0.202 266 K C 1.564 178.177 176.600 0.022 0.000 1.047 266 K CA 1.645 57.934 56.287 0.003 0.000 0.942 266 K CB -0.328 32.171 32.500 -0.003 0.000 0.739 266 K HN 0.711 nan 8.250 nan 0.000 0.457 267 V N 0.125 120.055 119.914 0.025 0.000 2.439 267 V HA -0.148 3.973 4.120 0.001 0.000 0.253 267 V C 1.168 177.294 176.094 0.054 0.000 1.074 267 V CA 1.311 63.634 62.300 0.037 0.000 1.076 267 V CB -0.743 31.103 31.823 0.039 0.000 0.664 267 V HN 0.113 nan 8.190 nan 0.000 0.461 268 L N 0.149 121.407 121.223 0.058 0.000 2.410 268 L HA 0.494 4.835 4.340 0.001 0.000 0.270 268 L C -0.140 176.782 176.870 0.088 0.000 0.983 268 L CA -0.660 54.230 54.840 0.083 0.000 0.822 268 L CB 1.937 44.044 42.059 0.079 0.000 1.285 268 L HN 0.212 nan 8.230 nan 0.000 0.409 269 H N 5.679 124.772 119.070 0.039 0.000 2.886 269 H HA 0.075 4.631 4.556 0.001 0.000 0.329 269 H C -1.730 173.595 175.328 -0.004 0.000 1.044 269 H CA -1.025 55.035 56.048 0.020 0.000 1.456 269 H CB 1.767 31.555 29.762 0.043 0.000 1.464 269 H HN 0.373 nan 8.280 nan 0.000 0.573 270 P HA -0.155 nan 4.420 nan 0.000 0.218 270 P C 1.056 178.350 177.300 -0.011 0.000 1.146 270 P CA 1.239 64.300 63.100 -0.065 0.000 0.813 270 P CB 0.169 31.820 31.700 -0.082 0.000 0.778 271 R N -0.807 119.724 120.500 0.053 0.000 2.276 271 R HA 0.025 4.365 4.340 0.001 0.000 0.203 271 R C 2.071 178.299 176.300 -0.121 0.000 1.017 271 R CA 1.070 57.019 56.100 -0.252 0.000 1.010 271 R CB -0.779 28.959 30.300 -0.937 0.000 0.900 271 R HN 0.231 nan 8.270 nan 0.000 0.469 272 T N 1.272 115.885 114.554 0.099 0.000 2.759 272 T HA -0.140 4.210 4.350 0.001 0.000 0.269 272 T C 1.725 176.512 174.700 0.145 0.000 1.042 272 T CA 1.169 63.387 62.100 0.196 0.000 1.140 272 T CB -0.094 68.882 68.868 0.180 0.000 0.864 272 T HN 0.086 nan 8.240 nan 0.000 0.455 273 I N 1.100 121.728 120.570 0.095 0.000 2.353 273 I HA -0.071 4.099 4.170 0.001 0.000 0.248 273 I C 2.472 178.579 176.117 -0.017 0.000 1.119 273 I CA 1.064 62.417 61.300 0.087 0.000 1.417 273 I CB -0.445 37.625 38.000 0.117 0.000 1.078 273 I HN 0.258 nan 8.210 nan 0.000 0.421 274 E N 0.620 120.805 120.200 -0.025 0.000 2.048 274 E HA -0.249 4.102 4.350 0.001 0.000 0.202 274 E C -0.439 176.122 176.600 -0.065 0.000 1.021 274 E CA 1.844 58.206 56.400 -0.063 0.000 0.825 274 E CB -1.530 28.134 29.700 -0.060 0.000 0.756 274 E HN 0.437 nan 8.360 nan 0.000 0.454 275 P HA -0.052 nan 4.420 nan 0.000 0.220 275 P C 1.086 178.477 177.300 0.152 0.000 1.152 275 P CA 1.543 64.638 63.100 -0.008 0.000 0.812 275 P CB 0.005 31.667 31.700 -0.063 0.000 0.792 276 A N -0.152 122.704 122.820 0.060 0.000 1.877 276 A HA -0.185 4.135 4.320 0.001 0.000 0.216 276 A C 2.312 179.749 177.584 -0.245 0.000 1.186 276 A CA 1.908 53.959 52.037 0.025 0.000 0.620 276 A CB -1.549 17.523 19.000 0.120 0.000 0.822 276 A HN 0.125 nan 8.150 nan 0.000 0.443 277 M N 0.197 119.431 119.600 -0.610 0.000 2.117 277 M HA -0.203 4.277 4.480 0.001 0.000 0.262 277 M C 2.054 178.108 176.300 -0.409 0.000 1.065 277 M CA 2.388 57.039 55.300 -1.081 0.000 1.114 277 M CB -0.290 31.776 32.600 -0.891 0.000 1.361 277 M HN 0.666 nan 8.290 nan 0.000 0.408 278 E N -0.473 119.627 120.200 -0.166 0.000 2.427 278 E HA -0.144 4.207 4.350 0.001 0.000 0.196 278 E C 1.211 177.824 176.600 0.021 0.000 1.028 278 E CA 0.788 57.170 56.400 -0.030 0.000 0.864 278 E CB -0.044 29.678 29.700 0.038 0.000 0.813 278 E HN 0.517 nan 8.360 nan 0.000 0.514 279 K N -0.387 120.020 120.400 0.013 0.000 2.373 279 K HA 0.158 4.479 4.320 0.001 0.000 0.200 279 K C 0.681 177.278 176.600 -0.004 0.000 1.054 279 K CA 0.390 56.665 56.287 -0.020 0.000 1.065 279 K CB 1.157 33.608 32.500 -0.082 0.000 0.886 279 K HN 0.257 nan 8.250 nan 0.000 0.546 280 G N 2.496 111.296 108.800 -0.001 0.000 2.147 280 G HA2 -0.252 3.709 3.960 0.001 0.000 0.244 280 G HA3 -0.252 3.709 3.960 0.001 0.000 0.244 280 G C 0.050 175.048 174.900 0.164 0.000 1.005 280 G CA -0.106 45.057 45.100 0.104 0.000 0.713 280 G HN 0.238 nan 8.290 nan 0.000 0.515 281 I N 2.477 123.129 120.570 0.138 0.000 2.452 281 I HA 0.234 4.405 4.170 0.001 0.000 0.287 281 I C -1.409 174.857 176.117 0.247 0.000 1.079 281 I CA -2.002 59.385 61.300 0.145 0.000 1.387 281 I CB 0.854 38.915 38.000 0.102 0.000 1.404 281 I HN -0.041 nan 8.210 nan 0.000 0.522 282 P HA 0.245 nan 4.420 nan 0.000 0.276 282 P C -0.623 176.733 177.300 0.093 0.000 1.230 282 P CA -0.014 63.155 63.100 0.115 0.000 0.776 282 P CB 1.015 32.737 31.700 0.037 0.000 0.888 283 I N 3.578 124.192 120.570 0.073 0.000 2.321 283 I HA 0.255 4.425 4.170 0.001 0.000 0.291 283 I C 0.255 176.360 176.117 -0.019 0.000 0.998 283 I CA -0.876 60.454 61.300 0.049 0.000 1.227 283 I CB 1.353 39.407 38.000 0.089 0.000 1.368 283 I HN 0.178 nan 8.210 nan 0.000 0.466 284 L N 8.567 129.763 121.223 -0.045 0.000 2.287 284 L HA 0.516 4.857 4.340 0.001 0.000 0.287 284 L C -0.642 176.125 176.870 -0.171 0.000 1.022 284 L CA -0.349 54.428 54.840 -0.105 0.000 0.814 284 L CB 1.455 43.447 42.059 -0.111 0.000 1.217 284 L HN 0.288 nan 8.230 nan 0.000 0.420 285 V N 5.698 125.514 119.914 -0.162 0.000 2.370 285 V HA 0.523 4.643 4.120 0.001 0.000 0.279 285 V C 0.147 176.075 176.094 -0.277 0.000 1.029 285 V CA -0.631 61.557 62.300 -0.187 0.000 0.870 285 V CB 1.005 32.784 31.823 -0.073 0.000 0.984 285 V HN 0.724 nan 8.190 nan 0.000 0.451 286 K N 2.802 122.917 120.400 -0.475 0.000 2.444 286 K HA 0.475 4.796 4.320 0.001 0.000 0.252 286 K C -0.866 175.520 176.600 -0.357 0.000 0.993 286 K CA -1.079 54.842 56.287 -0.610 0.000 0.847 286 K CB 2.063 33.770 32.500 -1.321 0.000 1.340 286 K HN 0.524 nan 8.250 nan 0.000 0.446 287 N N 1.142 119.744 118.700 -0.164 0.000 2.437 287 N HA 0.042 4.782 4.740 0.001 0.000 0.259 287 N C 0.623 176.313 175.510 0.300 0.000 0.983 287 N CA -0.014 53.106 53.050 0.117 0.000 0.937 287 N CB 1.513 40.102 38.487 0.169 0.000 1.122 287 N HN 0.670 nan 8.380 nan 0.000 0.499 288 T N 0.897 115.673 114.554 0.369 0.000 2.915 288 T HA -0.051 4.300 4.350 0.001 0.000 0.269 288 T C 1.202 175.931 174.700 0.047 0.000 1.071 288 T CA 1.100 63.390 62.100 0.317 0.000 1.132 288 T CB -0.395 68.495 68.868 0.037 0.000 0.878 288 T HN 0.387 nan 8.240 nan 0.000 0.479 289 F N 0.884 121.000 119.950 0.277 0.000 2.765 289 F HA 0.515 5.042 4.527 0.001 0.000 0.302 289 F C 1.077 176.963 175.800 0.143 0.000 1.111 289 F CA -0.427 57.658 58.000 0.142 0.000 1.359 289 F CB 0.216 39.256 39.000 0.067 0.000 1.097 289 F HN 0.175 nan 8.300 nan 0.000 0.577 290 E N -0.315 120.069 120.200 0.307 0.000 3.626 290 E HA 0.255 4.605 4.350 0.001 0.000 0.245 290 E C -2.157 174.569 176.600 0.210 0.000 1.236 290 E CA -1.593 54.941 56.400 0.224 0.000 1.072 290 E CB 0.426 30.236 29.700 0.183 0.000 1.309 290 E HN -0.090 nan 8.360 nan 0.000 0.400 291 P HA -0.080 nan 4.420 nan 0.000 0.230 291 P C 0.643 178.064 177.300 0.201 0.000 1.158 291 P CA 0.675 63.975 63.100 0.334 0.000 0.769 291 P CB 0.468 32.406 31.700 0.397 0.000 0.807 292 E N -0.519 119.769 120.200 0.146 0.000 2.371 292 E HA 0.005 4.356 4.350 0.001 0.000 0.194 292 E C 0.883 177.520 176.600 0.062 0.000 1.012 292 E CA 0.371 56.830 56.400 0.098 0.000 0.860 292 E CB -0.544 29.208 29.700 0.087 0.000 0.811 292 E HN 0.147 nan 8.360 nan 0.000 0.502 293 S N 1.009 116.742 115.700 0.056 0.000 2.562 293 S HA -0.024 4.446 4.470 0.001 0.000 0.281 293 S C 1.205 175.796 174.600 -0.016 0.000 1.333 293 S CA -0.291 57.923 58.200 0.023 0.000 1.052 293 S CB 0.959 64.180 63.200 0.035 0.000 0.884 293 S HN 0.016 nan 8.310 nan 0.000 0.506 294 E N 2.846 123.031 120.200 -0.025 0.000 2.150 294 E HA 0.039 4.390 4.350 0.001 0.000 0.193 294 E C 1.416 177.971 176.600 -0.075 0.000 0.985 294 E CA 0.847 57.221 56.400 -0.043 0.000 0.814 294 E CB -0.532 29.145 29.700 -0.037 0.000 0.752 294 E HN 0.977 nan 8.360 nan 0.000 0.466 295 G N 0.259 109.015 108.800 -0.073 0.000 2.562 295 G HA2 -0.264 3.696 3.960 0.001 0.000 0.250 295 G HA3 -0.264 3.696 3.960 0.001 0.000 0.250 295 G C -0.175 174.676 174.900 -0.081 0.000 1.269 295 G CA 0.102 45.151 45.100 -0.085 0.000 0.919 295 G HN 0.213 nan 8.290 nan 0.000 0.574 296 T N 0.527 115.033 114.554 -0.080 0.000 2.807 296 T HA 0.562 4.913 4.350 0.001 0.000 0.279 296 T C -0.448 174.205 174.700 -0.078 0.000 0.993 296 T CA -0.203 61.856 62.100 -0.069 0.000 0.970 296 T CB 1.743 70.587 68.868 -0.040 0.000 0.950 296 T HN 0.917 nan 8.240 nan 0.000 0.441 297 L N 4.857 126.032 121.223 -0.079 0.000 2.280 297 L HA 0.625 4.965 4.340 0.001 0.000 0.287 297 L C -1.126 175.676 176.870 -0.114 0.000 1.023 297 L CA -0.469 54.319 54.840 -0.086 0.000 0.819 297 L CB 0.470 42.483 42.059 -0.076 0.000 1.212 297 L HN 0.617 nan 8.230 nan 0.000 0.420 298 I N 5.394 125.882 120.570 -0.136 0.000 2.330 298 I HA 0.538 4.708 4.170 0.001 0.000 0.289 298 I C 0.329 176.170 176.117 -0.460 0.000 1.001 298 I CA -0.090 61.068 61.300 -0.238 0.000 1.193 298 I CB 1.325 39.242 38.000 -0.139 0.000 1.345 298 I HN 0.756 nan 8.210 nan 0.000 0.461 299 T N 0.152 114.322 114.554 -0.641 0.000 2.590 299 T HA 0.304 4.654 4.350 0.001 0.000 0.282 299 T C 0.475 174.690 174.700 -0.808 0.000 0.989 299 T CA -0.688 60.955 62.100 -0.761 0.000 1.091 299 T CB 0.957 69.669 68.868 -0.260 0.000 1.460 299 T HN 0.397 nan 8.240 nan 0.000 0.499 300 N N 0.609 119.160 118.700 -0.249 0.000 2.459 300 N HA 0.082 4.822 4.740 0.001 0.000 0.181 300 N C -0.558 174.930 175.510 -0.037 0.000 1.046 300 N CA 0.284 53.342 53.050 0.013 0.000 0.904 300 N CB -0.138 38.428 38.487 0.132 0.000 0.964 300 N HN 0.494 nan 8.380 nan 0.000 0.444 301 D N 0.974 121.324 120.400 -0.084 0.000 2.451 301 D HA -0.010 4.631 4.640 0.001 0.000 0.254 301 D C -0.306 175.959 176.300 -0.057 0.000 1.204 301 D CA 0.757 54.722 54.000 -0.059 0.000 0.896 301 D CB 0.367 41.127 40.800 -0.066 0.000 1.136 301 D HN 0.166 nan 8.370 nan 0.000 0.499 302 M N 2.384 121.966 119.600 -0.030 0.000 2.321 302 M HA 0.285 4.766 4.480 0.001 0.000 0.315 302 M C -1.070 175.217 176.300 -0.021 0.000 1.052 302 M CA -0.531 54.754 55.300 -0.025 0.000 0.936 302 M CB 1.847 34.441 32.600 -0.009 0.000 1.639 302 M HN 0.198 nan 8.290 nan 0.000 0.433 303 E N 4.963 125.149 120.200 -0.024 0.000 2.278 303 E HA 0.338 4.688 4.350 0.001 0.000 0.272 303 E C -1.438 175.149 176.600 -0.021 0.000 0.890 303 E CA -0.515 55.872 56.400 -0.021 0.000 0.770 303 E CB 2.053 31.738 29.700 -0.024 0.000 1.212 303 E HN 0.758 nan 8.360 nan 0.000 0.415 304 M N 2.275 121.864 119.600 -0.018 0.000 2.239 304 M HA 0.069 4.549 4.480 0.001 0.000 0.348 304 M C 0.391 176.680 176.300 -0.018 0.000 1.239 304 M CA 0.383 55.671 55.300 -0.018 0.000 1.114 304 M CB 1.109 33.699 32.600 -0.015 0.000 1.641 304 M HN 0.383 nan 8.290 nan 0.000 0.453 305 S N 2.015 117.703 115.700 -0.020 0.000 2.562 305 S HA 0.076 4.547 4.470 0.001 0.000 0.275 305 S C 0.787 175.382 174.600 -0.008 0.000 1.281 305 S CA -0.746 57.444 58.200 -0.016 0.000 1.045 305 S CB 0.705 63.894 63.200 -0.019 0.000 0.962 305 S HN 0.689 nan 8.310 nan 0.000 0.503 306 D N 2.480 122.878 120.400 -0.003 0.000 2.127 306 D HA -0.116 4.524 4.640 0.001 0.000 0.190 306 D C 0.882 177.191 176.300 0.016 0.000 1.000 306 D CA 1.811 55.813 54.000 0.003 0.000 0.839 306 D CB -0.568 40.233 40.800 0.001 0.000 0.955 306 D HN 0.684 nan 8.370 nan 0.000 0.446 307 S N 0.929 116.647 115.700 0.031 0.000 2.411 307 S HA 0.344 4.814 4.470 0.001 0.000 0.304 307 S C 0.350 174.973 174.600 0.038 0.000 1.098 307 S CA -0.891 57.353 58.200 0.074 0.000 1.068 307 S CB -0.064 63.215 63.200 0.131 0.000 1.032 307 S HN -0.006 nan 8.310 nan 0.000 0.511 308 I N 2.437 123.008 120.570 0.002 0.000 3.058 308 I HA 0.009 4.179 4.170 0.001 0.000 0.299 308 I C 0.310 176.341 176.117 -0.145 0.000 1.238 308 I CA 0.568 61.831 61.300 -0.062 0.000 1.423 308 I CB -0.167 37.789 38.000 -0.074 0.000 1.330 308 I HN 0.620 nan 8.210 nan 0.000 0.589 309 V N 3.931 123.735 119.914 -0.184 0.000 3.136 309 V HA -0.169 3.951 4.120 0.001 0.000 0.448 309 V C 0.535 176.557 176.094 -0.120 0.000 0.682 309 V CA 0.036 62.180 62.300 -0.259 0.000 1.979 309 V CB -1.209 30.227 31.823 -0.646 0.000 2.455 309 V HN 0.955 nan 8.190 nan 0.000 0.492 310 K N 1.796 122.150 120.400 -0.077 0.000 2.329 310 K HA 0.697 5.017 4.320 0.001 0.000 0.198 310 K C 0.548 177.147 176.600 -0.002 0.000 1.085 310 K CA 1.082 57.350 56.287 -0.032 0.000 0.961 310 K CB 1.155 33.639 32.500 -0.026 0.000 0.971 310 K HN 1.043 nan 8.250 nan 0.000 0.502 311 A N 0.901 123.722 122.820 0.001 0.000 2.556 311 A HA 0.720 5.040 4.320 0.001 0.000 0.294 311 A C -1.482 176.126 177.584 0.040 0.000 1.091 311 A CA -0.727 51.339 52.037 0.048 0.000 0.704 311 A CB 1.144 20.179 19.000 0.059 0.000 1.300 311 A HN 0.099 nan 8.150 nan 0.000 0.406 312 I N 1.450 122.070 120.570 0.084 0.000 2.466 312 I HA 0.527 4.697 4.170 0.001 0.000 0.289 312 I C 0.210 176.361 176.117 0.057 0.000 1.026 312 I CA -0.259 61.081 61.300 0.067 0.000 1.078 312 I CB 2.342 40.412 38.000 0.117 0.000 1.249 312 I HN 0.711 nan 8.210 nan 0.000 0.429 313 S N 2.862 118.577 115.700 0.026 0.000 2.634 313 S HA 0.938 5.409 4.470 0.001 0.000 0.296 313 S C -0.450 174.143 174.600 -0.012 0.000 1.104 313 S CA -0.629 57.588 58.200 0.028 0.000 0.920 313 S CB 2.198 65.439 63.200 0.069 0.000 1.111 313 S HN 0.692 nan 8.310 nan 0.000 0.493 314 T N -1.375 113.175 114.554 -0.007 0.000 2.900 314 T HA 0.740 5.090 4.350 0.001 0.000 0.303 314 T C -0.982 173.707 174.700 -0.017 0.000 1.142 314 T CA -0.891 61.188 62.100 -0.034 0.000 1.007 314 T CB 0.804 69.649 68.868 -0.040 0.000 1.156 314 T HN 0.708 nan 8.240 nan 0.000 0.490 315 I N 2.047 122.601 120.570 -0.026 0.000 2.418 315 I HA 0.475 4.645 4.170 0.001 0.000 0.287 315 I C 0.992 177.090 176.117 -0.031 0.000 1.008 315 I CA -0.975 60.307 61.300 -0.030 0.000 1.104 315 I CB 2.227 40.205 38.000 -0.036 0.000 1.264 315 I HN 0.778 nan 8.210 nan 0.000 0.438 316 K N 3.484 123.868 120.400 -0.026 0.000 2.166 316 K HA 0.140 4.460 4.320 0.001 0.000 0.201 316 K C 0.725 177.315 176.600 -0.017 0.000 1.052 316 K CA 0.678 56.954 56.287 -0.019 0.000 0.969 316 K CB 0.336 32.827 32.500 -0.015 0.000 0.761 316 K HN 0.496 nan 8.250 nan 0.000 0.459 317 N N 1.887 120.575 118.700 -0.021 0.000 3.091 317 N HA 0.044 4.784 4.740 0.001 0.000 0.301 317 N C -0.934 174.565 175.510 -0.019 0.000 1.325 317 N CA 0.101 53.140 53.050 -0.017 0.000 1.143 317 N CB 0.504 38.980 38.487 -0.017 0.000 1.450 317 N HN 0.090 nan 8.380 nan 0.000 0.542 318 V N -2.998 116.907 119.914 -0.015 0.000 3.001 318 V HA 1.003 5.123 4.120 0.001 0.000 0.314 318 V C -0.315 175.777 176.094 -0.003 0.000 1.099 318 V CA -1.389 60.903 62.300 -0.012 0.000 0.989 318 V CB 1.791 33.605 31.823 -0.014 0.000 1.040 318 V HN 0.102 nan 8.190 nan 0.000 0.434 319 A N 2.412 125.233 122.820 0.001 0.000 2.401 319 A HA 0.871 5.192 4.320 0.001 0.000 0.310 319 A C -1.110 176.478 177.584 0.006 0.000 1.075 319 A CA -0.724 51.316 52.037 0.005 0.000 0.746 319 A CB 1.686 20.690 19.000 0.006 0.000 1.277 319 A HN 1.587 nan 8.150 nan 0.000 0.425 320 L N 2.698 123.924 121.223 0.006 0.000 2.257 320 L HA 0.622 4.963 4.340 0.001 0.000 0.290 320 L C -0.969 175.893 176.870 -0.013 0.000 1.044 320 L CA 0.026 54.867 54.840 0.001 0.000 0.810 320 L CB 0.111 42.173 42.059 0.005 0.000 1.193 320 L HN 0.522 nan 8.230 nan 0.000 0.425 321 I N 5.469 126.022 120.570 -0.028 0.000 2.339 321 I HA 0.354 4.524 4.170 0.001 0.000 0.290 321 I C -0.311 175.733 176.117 -0.122 0.000 0.994 321 I CA -0.468 60.797 61.300 -0.058 0.000 1.191 321 I CB 1.107 39.081 38.000 -0.044 0.000 1.343 321 I HN 0.578 nan 8.210 nan 0.000 0.458 322 N N 7.572 126.148 118.700 -0.207 0.000 2.424 322 N HA 0.499 5.239 4.740 0.001 0.000 0.271 322 N C -0.793 174.345 175.510 -0.621 0.000 0.985 322 N CA -0.384 52.412 53.050 -0.423 0.000 0.921 322 N CB 2.320 40.492 38.487 -0.524 0.000 1.149 322 N HN 0.440 nan 8.380 nan 0.000 0.492 323 I N 3.065 123.322 120.570 -0.520 0.000 2.321 323 I HA 0.281 4.451 4.170 0.001 0.000 0.291 323 I C -0.423 175.403 176.117 -0.486 0.000 0.998 323 I CA -0.616 60.429 61.300 -0.424 0.000 1.227 323 I CB 0.461 38.295 38.000 -0.278 0.000 1.368 323 I HN 0.242 nan 8.210 nan 0.000 0.466 324 F N 4.671 124.567 119.950 -0.090 0.000 2.390 324 F HA 0.427 4.954 4.527 0.001 0.000 0.361 324 F C 1.206 176.944 175.800 -0.104 0.000 1.124 324 F CA -0.522 57.432 58.000 -0.077 0.000 1.149 324 F CB 0.695 39.661 39.000 -0.056 0.000 1.160 324 F HN 0.437 nan 8.300 nan 0.000 0.501 325 G N 1.225 110.053 108.800 0.047 0.000 2.634 325 G HA2 0.392 4.353 3.960 0.001 0.000 0.255 325 G HA3 0.392 4.353 3.960 0.001 0.000 0.255 325 G C 0.554 175.463 174.900 0.016 0.000 1.205 325 G CA -0.232 44.858 45.100 -0.017 0.000 0.884 325 G HN 0.827 nan 8.290 nan 0.000 0.549 326 A N -0.517 122.299 122.820 -0.007 0.000 2.307 326 A HA 0.613 4.933 4.320 0.001 0.000 0.218 326 A C 1.325 178.931 177.584 0.037 0.000 1.228 326 A CA 1.268 53.313 52.037 0.015 0.000 0.857 326 A CB -0.728 18.276 19.000 0.006 0.000 0.897 326 A HN 2.333 nan 8.150 nan 0.000 0.495 327 G N -1.092 107.728 108.800 0.034 0.000 2.236 327 G HA2 0.045 4.005 3.960 0.001 0.000 0.231 327 G HA3 0.045 4.005 3.960 0.001 0.000 0.231 327 G C -0.367 174.554 174.900 0.036 0.000 1.334 327 G CA -0.451 44.674 45.100 0.041 0.000 1.137 327 G HN 0.156 nan 8.290 nan 0.000 0.482 328 M N 2.102 121.727 119.600 0.042 0.000 3.011 328 M HA 0.344 4.825 4.480 0.001 0.000 0.292 328 M C 1.360 177.688 176.300 0.046 0.000 1.440 328 M CA 0.007 55.330 55.300 0.038 0.000 1.552 328 M CB 0.523 33.144 32.600 0.034 0.000 1.187 328 M HN 0.901 nan 8.290 nan 0.000 0.520 329 V N -1.198 118.738 119.914 0.038 0.000 3.528 329 V HA 0.598 4.718 4.120 0.001 0.000 0.294 329 V C 0.604 176.722 176.094 0.039 0.000 1.404 329 V CA 0.100 62.424 62.300 0.040 0.000 1.065 329 V CB -0.394 31.448 31.823 0.033 0.000 0.904 329 V HN 0.854 nan 8.190 nan 0.000 0.435 330 G N 0.567 109.389 108.800 0.036 0.000 3.383 330 G HA2 -0.017 3.943 3.960 0.001 0.000 0.685 330 G HA3 -0.017 3.943 3.960 0.001 0.000 0.685 330 G C 0.085 175.010 174.900 0.041 0.000 1.104 330 G CA 0.266 45.389 45.100 0.039 0.000 0.957 330 G HN 1.387 nan 8.290 nan 0.000 0.461 331 V N 1.583 121.521 119.914 0.041 0.000 2.358 331 V HA -0.068 4.052 4.120 0.001 0.000 0.246 331 V C 2.763 178.898 176.094 0.067 0.000 1.047 331 V CA 3.210 65.537 62.300 0.046 0.000 1.035 331 V CB -0.408 31.441 31.823 0.043 0.000 0.658 331 V HN 1.982 nan 8.190 nan 0.000 0.452 332 S N 1.055 116.795 115.700 0.067 0.000 2.368 332 S HA -0.013 4.457 4.470 0.001 0.000 0.225 332 S C 2.176 176.829 174.600 0.089 0.000 1.030 332 S CA 1.408 59.657 58.200 0.081 0.000 0.999 332 S CB -1.466 61.772 63.200 0.063 0.000 0.844 332 S HN 0.909 nan 8.310 nan 0.000 0.459 333 G N 1.627 110.471 108.800 0.075 0.000 2.421 333 G HA2 -0.197 3.763 3.960 0.001 0.000 0.216 333 G HA3 -0.197 3.763 3.960 0.001 0.000 0.216 333 G C 1.689 176.651 174.900 0.103 0.000 1.171 333 G CA 1.631 46.778 45.100 0.079 0.000 0.775 333 G HN 0.694 nan 8.290 nan 0.000 0.543 334 T N -0.928 113.683 114.554 0.095 0.000 3.014 334 T HA 0.364 4.714 4.350 0.001 0.000 0.263 334 T C 2.516 177.274 174.700 0.097 0.000 1.078 334 T CA 1.509 63.676 62.100 0.112 0.000 1.135 334 T CB -0.169 68.720 68.868 0.035 0.000 0.895 334 T HN 0.292 nan 8.240 nan 0.000 0.480 335 A N 1.528 124.404 122.820 0.092 0.000 1.930 335 A HA 0.382 4.702 4.320 0.001 0.000 0.217 335 A C 2.837 180.554 177.584 0.221 0.000 1.175 335 A CA 1.731 53.847 52.037 0.132 0.000 0.627 335 A CB -1.422 17.739 19.000 0.268 0.000 0.815 335 A HN 0.772 nan 8.150 nan 0.000 0.443 336 A N -0.025 122.910 122.820 0.191 0.000 1.883 336 A HA -0.215 4.105 4.320 0.001 0.000 0.217 336 A C 2.279 179.943 177.584 0.134 0.000 1.186 336 A CA 1.737 53.876 52.037 0.170 0.000 0.624 336 A CB -0.479 18.587 19.000 0.110 0.000 0.822 336 A HN 0.556 nan 8.150 nan 0.000 0.444 337 R N -0.854 119.718 120.500 0.120 0.000 2.090 337 R HA 0.046 4.386 4.340 0.001 0.000 0.228 337 R C 2.059 178.400 176.300 0.070 0.000 1.110 337 R CA 1.288 57.421 56.100 0.055 0.000 0.973 337 R CB -0.442 29.889 30.300 0.052 0.000 0.869 337 R HN 0.578 nan 8.270 nan 0.000 0.440 338 I N 0.095 120.764 120.570 0.165 0.000 2.099 338 I HA -0.301 3.870 4.170 0.001 0.000 0.239 338 I C 1.737 177.757 176.117 -0.162 0.000 1.066 338 I CA 1.594 62.881 61.300 -0.021 0.000 1.324 338 I CB -0.243 37.548 38.000 -0.349 0.000 1.037 338 I HN 0.041 nan 8.210 nan 0.000 0.401 339 F N 0.859 120.860 119.950 0.085 0.000 2.325 339 F HA -0.108 4.419 4.527 0.001 0.000 0.299 339 F C 2.434 178.252 175.800 0.031 0.000 1.090 339 F CA 1.026 59.057 58.000 0.051 0.000 1.392 339 F CB -0.662 38.363 39.000 0.042 0.000 1.053 339 F HN -0.012 nan 8.300 nan 0.000 0.521 340 K N 1.001 121.496 120.400 0.158 0.000 2.009 340 K HA -0.205 4.115 4.320 0.001 0.000 0.210 340 K C 2.320 178.942 176.600 0.037 0.000 1.049 340 K CA 1.543 57.874 56.287 0.073 0.000 0.929 340 K CB -0.421 32.094 32.500 0.024 0.000 0.714 340 K HN 0.175 nan 8.250 nan 0.000 0.440 341 A N 1.177 123.997 122.820 -0.001 0.000 1.883 341 A HA -0.152 4.168 4.320 0.001 0.000 0.217 341 A C 2.077 179.675 177.584 0.023 0.000 1.186 341 A CA 1.393 53.418 52.037 -0.020 0.000 0.624 341 A CB -0.598 18.372 19.000 -0.051 0.000 0.822 341 A HN 0.318 nan 8.150 nan 0.000 0.444 342 L N -0.169 121.085 121.223 0.052 0.000 2.093 342 L HA -0.045 4.296 4.340 0.001 0.000 0.208 342 L C 2.729 179.651 176.870 0.086 0.000 1.085 342 L CA 1.816 56.703 54.840 0.077 0.000 0.755 342 L CB -1.479 40.650 42.059 0.116 0.000 0.904 342 L HN 0.409 nan 8.230 nan 0.000 0.435 343 G N -1.213 107.648 108.800 0.103 0.000 2.418 343 G HA2 -0.230 3.730 3.960 0.001 0.000 0.217 343 G HA3 -0.230 3.730 3.960 0.001 0.000 0.217 343 G C 1.506 176.435 174.900 0.048 0.000 1.158 343 G CA 0.517 45.664 45.100 0.079 0.000 0.771 343 G HN 0.428 nan 8.290 nan 0.000 0.545 344 E N -0.036 120.187 120.200 0.037 0.000 2.118 344 E HA -0.145 4.205 4.350 0.001 0.000 0.195 344 E C 2.127 178.741 176.600 0.023 0.000 0.992 344 E CA 1.090 57.503 56.400 0.022 0.000 0.804 344 E CB 0.011 29.715 29.700 0.008 0.000 0.741 344 E HN 0.342 nan 8.360 nan 0.000 0.458 345 E N 0.269 120.486 120.200 0.028 0.000 2.479 345 E HA -0.020 4.330 4.350 0.001 0.000 0.193 345 E C -0.462 176.158 176.600 0.034 0.000 1.049 345 E CA 0.072 56.489 56.400 0.028 0.000 0.870 345 E CB 0.068 29.785 29.700 0.028 0.000 0.944 345 E HN 0.141 nan 8.360 nan 0.000 0.492 346 E N -1.003 119.219 120.200 0.037 0.000 2.586 346 E HA -0.189 4.162 4.350 0.001 0.000 0.259 346 E C -0.767 175.858 176.600 0.042 0.000 1.107 346 E CA 0.321 56.744 56.400 0.038 0.000 0.754 346 E CB -1.569 28.151 29.700 0.033 0.000 1.335 346 E HN 0.010 nan 8.360 nan 0.000 0.411 347 V N 1.562 121.506 119.914 0.050 0.000 2.529 347 V HA -0.061 4.059 4.120 0.001 0.000 0.292 347 V C 1.038 177.165 176.094 0.055 0.000 1.028 347 V CA 0.411 62.742 62.300 0.051 0.000 1.074 347 V CB 0.959 32.818 31.823 0.059 0.000 0.958 347 V HN 0.278 nan 8.190 nan 0.000 0.481 348 N N 3.959 122.681 118.700 0.037 0.000 2.415 348 N HA 0.216 4.957 4.740 0.001 0.000 0.250 348 N C -0.597 174.932 175.510 0.032 0.000 1.127 348 N CA -0.331 52.734 53.050 0.025 0.000 0.945 348 N CB 1.207 39.692 38.487 -0.004 0.000 1.196 348 N HN 0.569 nan 8.380 nan 0.000 0.499 349 V N 5.995 125.945 119.914 0.060 0.000 2.407 349 V HA 0.228 4.348 4.120 0.001 0.000 0.278 349 V C 0.758 176.889 176.094 0.061 0.000 1.037 349 V CA -0.458 61.892 62.300 0.083 0.000 0.900 349 V CB 1.000 32.925 31.823 0.169 0.000 0.983 349 V HN 0.551 nan 8.190 nan 0.000 0.459 350 I N 5.991 126.592 120.570 0.052 0.000 2.927 350 I HA 0.337 4.507 4.170 0.001 0.000 0.268 350 I C 0.193 176.414 176.117 0.174 0.000 1.153 350 I CA 0.750 62.074 61.300 0.040 0.000 1.459 350 I CB -0.114 37.876 38.000 -0.018 0.000 1.149 350 I HN 0.410 nan 8.210 nan 0.000 0.443 351 L N 0.398 121.713 121.223 0.152 0.000 2.445 351 L HA 0.543 4.884 4.340 0.001 0.000 0.262 351 L C -0.832 176.117 176.870 0.132 0.000 0.974 351 L CA -0.410 54.528 54.840 0.162 0.000 0.822 351 L CB 2.552 44.699 42.059 0.145 0.000 1.339 351 L HN -0.121 nan 8.230 nan 0.000 0.409 352 I N 1.306 121.950 120.570 0.123 0.000 2.498 352 I HA 0.627 4.797 4.170 0.001 0.000 0.290 352 I C -0.509 175.666 176.117 0.097 0.000 1.032 352 I CA -0.415 60.965 61.300 0.133 0.000 1.073 352 I CB 2.203 40.291 38.000 0.145 0.000 1.251 352 I HN 0.484 nan 8.210 nan 0.000 0.426 353 S N 4.986 120.736 115.700 0.082 0.000 2.619 353 S HA 0.473 4.944 4.470 0.001 0.000 0.280 353 S C -1.375 173.251 174.600 0.044 0.000 1.150 353 S CA -0.472 57.761 58.200 0.055 0.000 0.978 353 S CB 1.434 64.656 63.200 0.036 0.000 1.041 353 S HN 0.563 nan 8.310 nan 0.000 0.485 354 Q N 2.721 122.547 119.800 0.043 0.000 2.274 354 Q HA 0.594 4.934 4.340 0.001 0.000 0.268 354 Q C -0.938 175.077 176.000 0.025 0.000 1.015 354 Q CA -0.422 55.402 55.803 0.034 0.000 0.775 354 Q CB 1.539 30.311 28.738 0.056 0.000 1.256 354 Q HN 1.003 nan 8.270 nan 0.000 0.442 355 G N 1.437 110.245 108.800 0.015 0.000 4.002 355 G HA2 0.357 4.318 3.960 0.001 0.000 0.280 355 G HA3 0.357 4.318 3.960 0.001 0.000 0.280 355 G C -1.379 173.527 174.900 0.010 0.000 3.418 355 G CA 0.058 45.165 45.100 0.012 0.000 0.589 355 G HN 0.437 nan 8.290 nan 0.000 0.283 356 S N 0.459 116.166 115.700 0.013 0.000 2.582 356 S HA 0.469 4.939 4.470 0.001 0.000 0.287 356 S C 1.251 175.861 174.600 0.017 0.000 1.146 356 S CA 0.447 58.656 58.200 0.015 0.000 0.941 356 S CB 1.046 64.255 63.200 0.015 0.000 1.115 356 S HN 1.326 nan 8.310 nan 0.000 0.458 357 S N 3.122 118.831 115.700 0.016 0.000 2.507 357 S HA 0.017 4.487 4.470 0.001 0.000 0.235 357 S C 0.791 175.402 174.600 0.019 0.000 0.988 357 S CA 0.892 59.101 58.200 0.015 0.000 0.944 357 S CB -0.381 62.825 63.200 0.009 0.000 0.762 357 S HN 0.796 nan 8.310 nan 0.000 0.526 358 E N 0.624 120.839 120.200 0.025 0.000 2.463 358 E HA 0.123 4.474 4.350 0.001 0.000 0.193 358 E C -0.355 176.260 176.600 0.025 0.000 1.041 358 E CA 0.159 56.578 56.400 0.032 0.000 0.879 358 E CB 0.039 29.770 29.700 0.052 0.000 0.997 358 E HN 0.544 nan 8.360 nan 0.000 0.478 359 T N 0.893 115.455 114.554 0.014 0.000 4.146 359 T HA -0.170 4.181 4.350 0.001 0.000 0.336 359 T C -0.064 174.621 174.700 -0.025 0.000 0.762 359 T CA 0.396 62.495 62.100 -0.002 0.000 1.914 359 T CB -1.593 67.272 68.868 -0.005 0.000 1.897 359 T HN 0.200 nan 8.240 nan 0.000 0.862 360 N N 0.708 119.399 118.700 -0.014 0.000 2.508 360 N HA 0.657 5.398 4.740 0.001 0.000 0.264 360 N C -0.037 175.426 175.510 -0.078 0.000 1.216 360 N CA -0.313 52.701 53.050 -0.060 0.000 0.943 360 N CB 0.762 39.234 38.487 -0.026 0.000 1.113 360 N HN 0.649 nan 8.380 nan 0.000 0.447 361 I N -0.240 120.248 120.570 -0.135 0.000 2.656 361 I HA 0.237 4.407 4.170 0.001 0.000 0.292 361 I C -0.913 175.131 176.117 -0.122 0.000 1.144 361 I CA -0.420 60.825 61.300 -0.090 0.000 1.038 361 I CB 1.483 39.444 38.000 -0.065 0.000 1.244 361 I HN 0.262 nan 8.210 nan 0.000 0.420 362 S N 7.194 122.859 115.700 -0.059 0.000 2.489 362 S HA 0.723 5.193 4.470 0.001 0.000 0.291 362 S C -0.780 173.823 174.600 0.004 0.000 1.151 362 S CA -0.549 57.619 58.200 -0.055 0.000 1.082 362 S CB 1.178 64.359 63.200 -0.031 0.000 1.019 362 S HN 0.379 nan 8.310 nan 0.000 0.492 363 L N 2.836 124.056 121.223 -0.004 0.000 2.431 363 L HA 0.591 4.932 4.340 0.001 0.000 0.266 363 L C -1.096 175.795 176.870 0.034 0.000 0.978 363 L CA -0.951 53.915 54.840 0.043 0.000 0.822 363 L CB 2.015 44.096 42.059 0.036 0.000 1.310 363 L HN 0.311 nan 8.230 nan 0.000 0.409 364 V N 3.411 123.359 119.914 0.058 0.000 2.398 364 V HA 0.558 4.678 4.120 0.001 0.000 0.286 364 V C -0.012 176.107 176.094 0.042 0.000 1.026 364 V CA -0.596 61.730 62.300 0.043 0.000 0.868 364 V CB 1.943 33.796 31.823 0.050 0.000 0.982 364 V HN 0.532 nan 8.190 nan 0.000 0.443 365 V N 1.749 121.677 119.914 0.024 0.000 3.001 365 V HA 0.700 4.820 4.120 0.001 0.000 0.314 365 V C 0.087 176.180 176.094 -0.002 0.000 1.099 365 V CA -0.773 61.537 62.300 0.017 0.000 0.989 365 V CB 2.010 33.849 31.823 0.026 0.000 1.040 365 V HN 0.699 nan 8.190 nan 0.000 0.434 366 S N 1.336 117.028 115.700 -0.013 0.000 2.558 366 S HA 0.025 4.495 4.470 0.001 0.000 0.293 366 S C 1.073 175.670 174.600 -0.005 0.000 1.292 366 S CA 0.602 58.790 58.200 -0.020 0.000 1.063 366 S CB 0.486 63.673 63.200 -0.022 0.000 0.831 366 S HN 1.017 nan 8.310 nan 0.000 0.499 367 E N 1.845 122.041 120.200 -0.006 0.000 2.160 367 E HA -0.217 4.133 4.350 0.001 0.000 0.195 367 E C 1.837 178.440 176.600 0.006 0.000 0.991 367 E CA 1.234 57.634 56.400 0.001 0.000 0.810 367 E CB 0.073 29.773 29.700 -0.000 0.000 0.742 367 E HN 0.767 nan 8.360 nan 0.000 0.466 368 E N 0.186 120.390 120.200 0.007 0.000 2.482 368 E HA -0.142 4.208 4.350 0.001 0.000 0.196 368 E C 0.435 177.044 176.600 0.015 0.000 1.047 368 E CA 0.620 57.027 56.400 0.012 0.000 0.869 368 E CB 0.145 29.854 29.700 0.015 0.000 0.836 368 E HN 0.221 nan 8.360 nan 0.000 0.520 369 D N 0.755 121.164 120.400 0.015 0.000 2.349 369 D HA 0.054 4.694 4.640 0.001 0.000 0.214 369 D C 1.758 178.070 176.300 0.019 0.000 1.063 369 D CA 0.007 54.018 54.000 0.019 0.000 0.847 369 D CB 0.579 41.392 40.800 0.021 0.000 0.933 369 D HN 0.017 nan 8.370 nan 0.000 0.513 370 V N 1.251 121.174 119.914 0.016 0.000 2.287 370 V HA -0.247 3.874 4.120 0.001 0.000 0.248 370 V C 1.916 178.021 176.094 0.018 0.000 1.053 370 V CA 1.753 64.062 62.300 0.016 0.000 1.027 370 V CB -0.217 31.614 31.823 0.013 0.000 0.646 370 V HN 0.105 nan 8.190 nan 0.000 0.447 371 D N -0.128 120.283 120.400 0.018 0.000 2.104 371 D HA -0.165 4.475 4.640 0.001 0.000 0.194 371 D C 2.254 178.566 176.300 0.021 0.000 0.994 371 D CA 1.311 55.322 54.000 0.019 0.000 0.830 371 D CB -0.243 40.567 40.800 0.017 0.000 0.959 371 D HN 0.414 nan 8.370 nan 0.000 0.452 372 K N 0.645 121.058 120.400 0.021 0.000 2.044 372 K HA -0.121 4.199 4.320 0.001 0.000 0.210 372 K C 2.135 178.751 176.600 0.026 0.000 1.049 372 K CA 1.460 57.761 56.287 0.023 0.000 0.927 372 K CB -0.162 32.353 32.500 0.025 0.000 0.713 372 K HN 0.048 nan 8.250 nan 0.000 0.443 373 A N 1.271 124.107 122.820 0.026 0.000 1.858 373 A HA -0.145 4.176 4.320 0.001 0.000 0.216 373 A C 2.149 179.751 177.584 0.029 0.000 1.190 373 A CA 1.303 53.356 52.037 0.027 0.000 0.617 373 A CB -0.757 18.257 19.000 0.023 0.000 0.827 373 A HN 0.173 nan 8.150 nan 0.000 0.443 374 L N -0.405 120.834 121.223 0.027 0.000 2.042 374 L HA -0.254 4.086 4.340 0.001 0.000 0.210 374 L C 2.712 179.604 176.870 0.037 0.000 1.076 374 L CA 2.141 56.999 54.840 0.031 0.000 0.749 374 L CB -0.548 41.527 42.059 0.027 0.000 0.893 374 L HN 0.560 nan 8.230 nan 0.000 0.432 375 K N 0.544 120.962 120.400 0.030 0.000 2.032 375 K HA -0.217 4.104 4.320 0.001 0.000 0.209 375 K C 2.124 178.740 176.600 0.027 0.000 1.048 375 K CA 1.595 57.898 56.287 0.026 0.000 0.927 375 K CB -0.117 32.395 32.500 0.020 0.000 0.712 375 K HN 0.250 nan 8.250 nan 0.000 0.441 376 A N 1.326 124.162 122.820 0.026 0.000 1.933 376 A HA -0.108 4.212 4.320 0.001 0.000 0.218 376 A C 2.144 179.745 177.584 0.027 0.000 1.175 376 A CA 1.336 53.384 52.037 0.018 0.000 0.628 376 A CB -0.501 18.512 19.000 0.021 0.000 0.814 376 A HN 0.359 nan 8.150 nan 0.000 0.444 377 L N -1.252 120.016 121.223 0.075 0.000 2.179 377 L HA -0.075 4.266 4.340 0.001 0.000 0.208 377 L C 2.540 179.530 176.870 0.200 0.000 1.096 377 L CA 1.497 56.447 54.840 0.184 0.000 0.779 377 L CB -0.306 41.862 42.059 0.182 0.000 0.922 377 L HN 0.410 nan 8.230 nan 0.000 0.443 378 K N 0.542 121.006 120.400 0.108 0.000 2.062 378 K HA -0.193 4.128 4.320 0.001 0.000 0.205 378 K C 2.342 178.973 176.600 0.051 0.000 1.051 378 K CA 1.007 57.347 56.287 0.089 0.000 0.941 378 K CB 0.039 32.574 32.500 0.057 0.000 0.719 378 K HN 0.072 nan 8.250 nan 0.000 0.440 379 R N 0.671 121.180 120.500 0.015 0.000 2.083 379 R HA -0.208 4.133 4.340 0.001 0.000 0.237 379 R C 2.061 178.313 176.300 -0.080 0.000 1.137 379 R CA 2.082 58.169 56.100 -0.023 0.000 0.951 379 R CB -0.209 30.075 30.300 -0.027 0.000 0.851 379 R HN 0.114 nan 8.270 nan 0.000 0.434 380 E N -0.196 119.913 120.200 -0.151 0.000 2.072 380 E HA -0.143 4.207 4.350 0.001 0.000 0.191 380 E C 1.262 177.540 176.600 -0.536 0.000 0.985 380 E CA 1.693 57.845 56.400 -0.414 0.000 0.801 380 E CB -0.104 29.221 29.700 -0.625 0.000 0.750 380 E HN 0.484 nan 8.360 nan 0.000 0.452 381 F N -1.504 118.440 119.950 -0.009 0.000 2.720 381 F HA 0.354 4.882 4.527 0.001 0.000 0.301 381 F C 1.416 177.215 175.800 -0.002 0.000 1.103 381 F CA 0.187 58.183 58.000 -0.007 0.000 1.291 381 F CB 0.833 39.827 39.000 -0.010 0.000 1.086 381 F HN 0.143 nan 8.300 nan 0.000 0.592 382 G N 2.385 111.262 108.800 0.128 0.000 2.273 382 G HA2 -0.331 3.630 3.960 0.001 0.000 0.280 382 G HA3 -0.331 3.630 3.960 0.001 0.000 0.280 382 G C -0.029 174.920 174.900 0.081 0.000 1.047 382 G CA 0.382 45.529 45.100 0.078 0.000 0.869 382 G HN 0.744 nan 8.290 nan 0.000 0.502 386 K N -1.684 118.721 120.400 0.008 0.000 1.903 386 K HA -0.259 4.062 4.320 0.001 0.000 0.489 386 K C -0.055 176.550 176.600 0.008 0.000 1.748 386 K CA 1.451 57.744 56.287 0.009 0.000 0.898 386 K CB -1.047 31.460 32.500 0.012 0.000 1.381 386 K HN 1.114 nan 8.250 nan 0.000 0.745 387 K N 0.357 120.765 120.400 0.013 0.000 2.143 387 K HA 0.553 4.874 4.320 0.001 0.000 0.272 387 K C -0.875 175.753 176.600 0.046 0.000 1.001 387 K CA -0.305 55.998 56.287 0.027 0.000 0.915 387 K CB 2.131 34.647 32.500 0.028 0.000 1.047 387 K HN 0.576 nan 8.250 nan 0.000 0.458 388 S N 2.512 118.242 115.700 0.050 0.000 2.548 388 S HA 0.300 4.771 4.470 0.001 0.000 0.276 388 S C 0.074 174.721 174.600 0.078 0.000 1.129 388 S CA -1.055 57.185 58.200 0.067 0.000 0.931 388 S CB 0.346 63.537 63.200 -0.016 0.000 1.068 388 S HN 0.711 nan 8.310 nan 0.000 0.480 389 F N 3.784 123.735 119.950 0.001 0.000 2.365 389 F HA 0.208 4.735 4.527 0.001 0.000 0.300 389 F C 1.057 176.860 175.800 0.005 0.000 1.090 389 F CA 0.739 58.740 58.000 0.003 0.000 1.408 389 F CB -0.251 38.750 39.000 0.002 0.000 1.060 389 F HN 0.469 nan 8.300 nan 0.000 0.534 390 L N 0.318 121.076 121.223 -0.774 0.000 2.341 390 L HA 0.001 4.341 4.340 0.001 0.000 0.214 390 L C 1.221 177.944 176.870 -0.245 0.000 1.115 390 L CA 0.237 54.724 54.840 -0.588 0.000 0.820 390 L CB -0.677 41.000 42.059 -0.637 0.000 0.944 390 L HN 0.236 nan 8.230 nan 0.000 0.452 391 N N 0.982 119.585 118.700 -0.160 0.000 2.518 391 N HA -0.048 4.693 4.740 0.001 0.000 0.266 391 N C 0.062 175.549 175.510 -0.038 0.000 1.196 391 N CA 0.035 53.041 53.050 -0.074 0.000 0.947 391 N CB 0.738 39.201 38.487 -0.040 0.000 1.098 391 N HN 0.163 nan 8.380 nan 0.000 0.450 392 N N 1.188 119.877 118.700 -0.018 0.000 2.461 392 N HA -0.039 4.702 4.740 0.001 0.000 0.188 392 N C -0.238 175.289 175.510 0.029 0.000 1.134 392 N CA -0.192 52.860 53.050 0.005 0.000 0.878 392 N CB 0.030 38.521 38.487 0.006 0.000 0.972 392 N HN 0.487 nan 8.380 nan 0.000 0.456 393 N N 0.773 119.490 118.700 0.028 0.000 2.416 393 N HA -0.011 4.729 4.740 0.001 0.000 0.246 393 N C 0.453 175.981 175.510 0.031 0.000 1.260 393 N CA 0.166 53.242 53.050 0.044 0.000 0.897 393 N CB 0.765 39.271 38.487 0.032 0.000 1.110 393 N HN -0.004 nan 8.380 nan 0.000 0.439 394 L N 2.423 123.660 121.223 0.022 0.000 2.577 394 L HA 0.422 4.762 4.340 0.001 0.000 0.225 394 L C 0.070 176.841 176.870 -0.165 0.000 1.053 394 L CA 0.384 55.201 54.840 -0.038 0.000 0.866 394 L CB -0.073 42.001 42.059 0.025 0.000 1.132 394 L HN 0.502 nan 8.230 nan 0.000 0.486 395 I N -1.241 119.183 120.570 -0.244 0.000 2.406 395 I HA 0.277 4.447 4.170 0.001 0.000 0.290 395 I C 1.233 177.285 176.117 -0.108 0.000 0.999 395 I CA 0.038 61.165 61.300 -0.288 0.000 1.124 395 I CB 1.975 39.596 38.000 -0.631 0.000 1.289 395 I HN -0.023 nan 8.210 nan 0.000 0.441 396 R N 2.858 123.336 120.500 -0.037 0.000 2.105 396 R HA 0.184 4.524 4.340 0.001 0.000 0.214 396 R C -0.267 176.052 176.300 0.032 0.000 1.091 396 R CA 0.807 56.912 56.100 0.010 0.000 1.007 396 R CB 0.382 30.700 30.300 0.029 0.000 0.912 396 R HN 0.724 nan 8.270 nan 0.000 0.450 397 D N -1.655 118.806 120.400 0.101 0.000 2.710 397 D HA 0.228 4.869 4.640 0.001 0.000 0.276 397 D C -2.117 174.342 176.300 0.263 0.000 1.267 397 D CA -0.445 53.650 54.000 0.158 0.000 0.772 397 D CB 2.031 42.898 40.800 0.112 0.000 1.299 397 D HN -0.089 nan 8.370 nan 0.000 0.421 398 V N 0.958 121.007 119.914 0.225 0.000 2.808 398 V HA 0.833 4.954 4.120 0.001 0.000 0.308 398 V C -1.391 174.812 176.094 0.180 0.000 1.099 398 V CA 0.050 62.425 62.300 0.126 0.000 0.920 398 V CB 1.767 33.605 31.823 0.025 0.000 1.014 398 V HN 0.781 nan 8.190 nan 0.000 0.425 399 S N 5.435 121.214 115.700 0.133 0.000 2.536 399 S HA 0.851 5.321 4.470 0.001 0.000 0.287 399 S C -0.862 173.763 174.600 0.041 0.000 1.101 399 S CA -0.248 58.038 58.200 0.143 0.000 0.950 399 S CB 1.588 64.965 63.200 0.295 0.000 1.056 399 S HN 1.926 nan 8.310 nan 0.000 0.481 400 V N 0.135 120.074 119.914 0.042 0.000 2.680 400 V HA 0.801 4.922 4.120 0.001 0.000 0.309 400 V C -1.611 174.499 176.094 0.027 0.000 1.052 400 V CA -0.545 61.767 62.300 0.021 0.000 0.908 400 V CB 1.856 33.688 31.823 0.015 0.000 1.001 400 V HN 1.001 nan 8.190 nan 0.000 0.431 401 D N 3.304 123.716 120.400 0.020 0.000 2.505 401 D HA 0.443 5.083 4.640 0.001 0.000 0.250 401 D C 0.371 176.681 176.300 0.016 0.000 1.164 401 D CA -0.431 53.582 54.000 0.022 0.000 0.870 401 D CB 2.169 42.984 40.800 0.026 0.000 1.160 401 D HN 0.726 nan 8.370 nan 0.000 0.549 402 K N 1.478 121.887 120.400 0.015 0.000 2.379 402 K HA 0.082 4.403 4.320 0.001 0.000 0.194 402 K C -0.109 176.497 176.600 0.010 0.000 1.031 402 K CA 0.021 56.314 56.287 0.011 0.000 1.037 402 K CB 0.747 33.253 32.500 0.010 0.000 0.824 402 K HN 0.218 nan 8.250 nan 0.000 0.516 403 D N 1.834 122.242 120.400 0.013 0.000 3.085 403 D HA 0.093 4.733 4.640 0.001 0.000 0.243 403 D C -0.807 175.502 176.300 0.015 0.000 1.232 403 D CA 0.277 54.285 54.000 0.013 0.000 0.913 403 D CB 0.252 41.061 40.800 0.015 0.000 1.108 403 D HN -0.165 nan 8.370 nan 0.000 0.468 404 V N 0.153 120.073 119.914 0.012 0.000 3.078 404 V HA 0.544 4.664 4.120 0.001 0.000 0.311 404 V C -0.303 175.792 176.094 0.002 0.000 1.138 404 V CA -0.810 61.498 62.300 0.012 0.000 1.007 404 V CB 2.637 34.468 31.823 0.014 0.000 1.045 404 V HN 0.536 nan 8.190 nan 0.000 0.432 405 C N 1.845 121.142 119.300 -0.004 0.000 2.994 405 C HA 0.912 5.372 4.460 0.001 0.000 0.304 405 C C -0.732 174.225 174.990 -0.056 0.000 1.273 405 C CA -0.809 58.194 59.018 -0.026 0.000 1.537 405 C CB 0.959 28.682 27.740 -0.028 0.000 2.001 405 C HN 0.589 nan 8.230 nan 0.000 0.471 406 V N 2.258 122.124 119.914 -0.079 0.000 2.394 406 V HA 0.515 4.635 4.120 0.001 0.000 0.282 406 V C -0.215 175.730 176.094 -0.249 0.000 1.031 406 V CA -0.053 62.161 62.300 -0.143 0.000 0.881 406 V CB 1.141 32.936 31.823 -0.048 0.000 0.982 406 V HN 0.755 nan 8.190 nan 0.000 0.451 407 I N 3.630 123.874 120.570 -0.544 0.000 2.404 407 I HA 0.510 4.680 4.170 0.001 0.000 0.293 407 I C 0.221 175.933 176.117 -0.676 0.000 0.992 407 I CA 0.512 61.436 61.300 -0.627 0.000 1.149 407 I CB 2.097 39.638 38.000 -0.766 0.000 1.315 407 I HN 0.590 nan 8.210 nan 0.000 0.446 408 S N 4.410 119.897 115.700 -0.356 0.000 2.513 408 S HA 0.746 5.217 4.470 0.001 0.000 0.299 408 S C -0.793 173.726 174.600 -0.135 0.000 1.087 408 S CA -0.704 57.311 58.200 -0.308 0.000 1.012 408 S CB 2.165 65.120 63.200 -0.408 0.000 1.044 408 S HN 0.259 nan 8.310 nan 0.000 0.485 409 V N 3.025 122.874 119.914 -0.107 0.000 2.531 409 V HA 0.575 4.695 4.120 0.001 0.000 0.301 409 V C -0.727 175.302 176.094 -0.108 0.000 1.034 409 V CA -0.512 61.733 62.300 -0.091 0.000 0.865 409 V CB 1.733 33.485 31.823 -0.118 0.000 0.995 409 V HN 0.713 nan 8.190 nan 0.000 0.424 410 V N 3.136 123.002 119.914 -0.079 0.000 2.735 410 V HA 1.040 5.160 4.120 0.001 0.000 0.310 410 V C 0.306 176.363 176.094 -0.062 0.000 1.061 410 V CA -0.141 62.130 62.300 -0.048 0.000 0.913 410 V CB 1.951 33.781 31.823 0.012 0.000 1.005 410 V HN 1.112 nan 8.190 nan 0.000 0.428 411 G N 1.342 110.109 108.800 -0.054 0.000 2.443 411 G HA2 0.581 4.541 3.960 0.001 0.000 0.303 411 G HA3 0.581 4.541 3.960 0.001 0.000 0.303 411 G C 0.309 175.184 174.900 -0.041 0.000 1.613 411 G CA 0.264 45.333 45.100 -0.053 0.000 0.879 411 G HN 1.047 nan 8.290 nan 0.000 0.632 412 A N 0.427 123.230 122.820 -0.030 0.000 1.929 412 A HA 0.042 4.362 4.320 0.001 0.000 0.221 412 A C 2.361 179.932 177.584 -0.022 0.000 1.211 412 A CA 3.129 55.154 52.037 -0.021 0.000 0.657 412 A CB -0.673 18.315 19.000 -0.019 0.000 0.827 412 A HN 2.043 nan 8.150 nan 0.000 0.462 413 G N -2.393 106.389 108.800 -0.030 0.000 3.371 413 G HA2 0.293 4.253 3.960 0.001 0.000 0.248 413 G HA3 0.293 4.253 3.960 0.001 0.000 0.248 413 G C 0.951 175.830 174.900 -0.035 0.000 1.161 413 G CA 0.651 45.735 45.100 -0.027 0.000 0.796 413 G HN 0.355 nan 8.290 nan 0.000 0.539 414 M N 0.654 120.228 119.600 -0.045 0.000 2.180 414 M HA -0.057 4.423 4.480 0.001 0.000 0.260 414 M C 2.465 178.739 176.300 -0.043 0.000 1.071 414 M CA 1.680 56.943 55.300 -0.062 0.000 1.096 414 M CB -0.282 32.276 32.600 -0.069 0.000 1.276 414 M HN 0.235 nan 8.290 nan 0.000 0.426 415 R N -0.754 119.731 120.500 -0.025 0.000 2.081 415 R HA -0.112 4.229 4.340 0.001 0.000 0.235 415 R C 1.947 178.242 176.300 -0.008 0.000 1.131 415 R CA 1.700 57.794 56.100 -0.011 0.000 0.960 415 R CB -0.926 29.373 30.300 -0.001 0.000 0.856 415 R HN 0.606 nan 8.270 nan 0.000 0.436 416 G N -0.305 108.489 108.800 -0.010 0.000 2.650 416 G HA2 0.039 3.999 3.960 0.001 0.000 0.214 416 G HA3 0.039 3.999 3.960 0.001 0.000 0.214 416 G C 0.148 175.043 174.900 -0.008 0.000 1.136 416 G CA 0.371 45.467 45.100 -0.006 0.000 0.789 416 G HN 0.418 nan 8.290 nan 0.000 0.536 417 A N 0.551 123.362 122.820 -0.015 0.000 2.302 417 A HA 0.524 4.845 4.320 0.001 0.000 0.295 417 A C 0.383 177.961 177.584 -0.010 0.000 1.235 417 A CA -0.502 51.525 52.037 -0.015 0.000 0.876 417 A CB 0.323 19.307 19.000 -0.027 0.000 1.133 417 A HN 0.222 nan 8.150 nan 0.000 0.533 418 K N 2.051 122.450 120.400 -0.002 0.000 2.379 418 K HA 0.379 4.699 4.320 0.001 0.000 0.284 418 K C 1.242 177.846 176.600 0.006 0.000 1.044 418 K CA 1.166 57.455 56.287 0.003 0.000 0.974 418 K CB 0.127 32.630 32.500 0.005 0.000 0.962 418 K HN 1.381 nan 8.250 nan 0.000 0.474 419 G N 3.826 112.632 108.800 0.010 0.000 2.234 419 G HA2 -0.280 3.680 3.960 0.001 0.000 0.235 419 G HA3 -0.280 3.680 3.960 0.001 0.000 0.235 419 G C 0.638 175.547 174.900 0.015 0.000 0.997 419 G CA 0.240 45.349 45.100 0.016 0.000 0.623 419 G HN 0.635 nan 8.290 nan 0.000 0.514 420 I N 1.986 122.552 120.570 -0.006 0.000 2.252 420 I HA 0.295 4.465 4.170 0.001 0.000 0.245 420 I C 2.937 178.996 176.117 -0.097 0.000 1.102 420 I CA 2.537 63.816 61.300 -0.035 0.000 1.385 420 I CB -0.508 37.438 38.000 -0.090 0.000 1.064 420 I HN 0.503 nan 8.210 nan 0.000 0.414 421 A N 0.163 122.926 122.820 -0.095 0.000 1.883 421 A HA -0.113 4.207 4.320 0.001 0.000 0.217 421 A C 2.448 179.975 177.584 -0.095 0.000 1.186 421 A CA 1.779 53.721 52.037 -0.158 0.000 0.624 421 A CB -1.746 17.296 19.000 0.070 0.000 0.822 421 A HN 0.489 nan 8.150 nan 0.000 0.444 422 G N -0.421 108.402 108.800 0.038 0.000 2.418 422 G HA2 -0.247 3.714 3.960 0.001 0.000 0.217 422 G HA3 -0.247 3.714 3.960 0.001 0.000 0.217 422 G C 1.680 176.601 174.900 0.035 0.000 1.158 422 G CA 1.141 46.287 45.100 0.076 0.000 0.771 422 G HN 0.580 nan 8.290 nan 0.000 0.545 423 K N -0.201 120.216 120.400 0.029 0.000 2.057 423 K HA 0.004 4.324 4.320 0.001 0.000 0.207 423 K C 2.443 179.118 176.600 0.125 0.000 1.049 423 K CA 0.976 57.311 56.287 0.080 0.000 0.931 423 K CB -0.231 32.376 32.500 0.178 0.000 0.714 423 K HN 0.335 nan 8.250 nan 0.000 0.440 424 I N 0.006 120.573 120.570 -0.006 0.000 2.142 424 I HA -0.262 3.908 4.170 0.001 0.000 0.240 424 I C 1.924 177.861 176.117 -0.300 0.000 1.078 424 I CA 1.543 62.730 61.300 -0.188 0.000 1.343 424 I CB -0.201 37.384 38.000 -0.692 0.000 1.046 424 I HN 0.066 nan 8.210 nan 0.000 0.405 425 F N 0.396 120.282 119.950 -0.107 0.000 2.259 425 F HA -0.154 4.374 4.527 0.001 0.000 0.298 425 F C 2.745 178.480 175.800 -0.108 0.000 1.088 425 F CA 1.173 59.059 58.000 -0.189 0.000 1.358 425 F CB -0.825 38.064 39.000 -0.186 0.000 1.040 425 F HN 0.118 nan 8.300 nan 0.000 0.505 426 T N -1.084 113.520 114.554 0.083 0.000 2.777 426 T HA -0.142 4.208 4.350 0.001 0.000 0.266 426 T C 2.208 176.916 174.700 0.014 0.000 1.040 426 T CA 0.907 63.031 62.100 0.039 0.000 1.141 426 T CB -0.792 68.088 68.868 0.019 0.000 0.868 426 T HN 0.241 nan 8.240 nan 0.000 0.444 427 A N 1.411 124.232 122.820 0.001 0.000 1.908 427 A HA -0.017 4.303 4.320 0.001 0.000 0.218 427 A C 2.646 180.249 177.584 0.030 0.000 1.181 427 A CA 1.680 53.716 52.037 -0.002 0.000 0.627 427 A CB -1.259 17.743 19.000 0.003 0.000 0.818 427 A HN 0.385 nan 8.150 nan 0.000 0.445 428 V N -0.320 119.610 119.914 0.027 0.000 2.332 428 V HA -0.230 3.890 4.120 0.001 0.000 0.248 428 V C 2.840 178.965 176.094 0.052 0.000 1.055 428 V CA 2.391 64.717 62.300 0.043 0.000 1.038 428 V CB -0.778 31.004 31.823 -0.067 0.000 0.651 428 V HN 0.695 nan 8.190 nan 0.000 0.450 429 S N -0.653 115.069 115.700 0.036 0.000 2.383 429 S HA -0.221 4.250 4.470 0.001 0.000 0.227 429 S C 1.932 176.548 174.600 0.027 0.000 1.026 429 S CA 1.732 59.950 58.200 0.030 0.000 0.981 429 S CB -0.275 62.938 63.200 0.022 0.000 0.818 429 S HN 0.707 nan 8.310 nan 0.000 0.472 430 E N 0.689 120.902 120.200 0.021 0.000 2.265 430 E HA -0.085 4.265 4.350 0.001 0.000 0.196 430 E C 2.109 178.723 176.600 0.023 0.000 0.996 430 E CA 1.184 57.592 56.400 0.014 0.000 0.832 430 E CB -0.094 29.606 29.700 -0.001 0.000 0.756 430 E HN 0.739 nan 8.360 nan 0.000 0.491 431 S N -1.205 114.518 115.700 0.038 0.000 2.522 431 S HA 0.081 4.552 4.470 0.001 0.000 0.227 431 S C 1.596 176.224 174.600 0.048 0.000 0.986 431 S CA 0.571 58.800 58.200 0.049 0.000 0.929 431 S CB 0.503 63.748 63.200 0.075 0.000 0.769 431 S HN 0.348 nan 8.310 nan 0.000 0.529 432 G N 0.262 109.088 108.800 0.043 0.000 2.179 432 G HA2 -0.004 3.956 3.960 0.001 0.000 0.220 432 G HA3 -0.004 3.956 3.960 0.001 0.000 0.220 432 G C 0.179 175.108 174.900 0.048 0.000 0.990 432 G CA -0.116 45.008 45.100 0.039 0.000 0.646 432 G HN 1.205 nan 8.290 nan 0.000 0.517 433 A N -0.343 122.516 122.820 0.065 0.000 2.302 433 A HA 0.742 5.062 4.320 0.001 0.000 0.285 433 A C 0.100 177.725 177.584 0.067 0.000 1.105 433 A CA 0.194 52.280 52.037 0.082 0.000 0.816 433 A CB 0.599 19.679 19.000 0.133 0.000 1.067 433 A HN 0.601 nan 8.150 nan 0.000 0.489 434 N N 1.029 119.769 118.700 0.067 0.000 2.518 434 N HA 0.427 5.167 4.740 0.001 0.000 0.254 434 N C -0.888 174.658 175.510 0.060 0.000 0.979 434 N CA -0.444 52.634 53.050 0.046 0.000 0.930 434 N CB 0.369 38.876 38.487 0.034 0.000 1.152 434 N HN 0.595 nan 8.380 nan 0.000 0.505 435 I N 3.238 123.834 120.570 0.044 0.000 2.662 435 I HA -0.061 4.109 4.170 0.001 0.000 0.285 435 I C 1.125 177.256 176.117 0.023 0.000 1.161 435 I CA 0.533 61.864 61.300 0.052 0.000 1.415 435 I CB 0.684 38.643 38.000 -0.069 0.000 1.385 435 I HN 0.563 nan 8.210 nan 0.000 0.552 436 K N 5.758 126.191 120.400 0.055 0.000 2.354 436 K HA 0.360 4.680 4.320 0.001 0.000 0.194 436 K C 0.122 176.735 176.600 0.020 0.000 1.045 436 K CA 0.342 56.648 56.287 0.032 0.000 1.026 436 K CB 0.744 33.269 32.500 0.041 0.000 0.866 436 K HN 0.604 nan 8.250 nan 0.000 0.530 437 M N 0.874 120.495 119.600 0.035 0.000 2.523 437 M HA 0.359 4.839 4.480 0.001 0.000 0.287 437 M C -2.130 174.203 176.300 0.055 0.000 1.160 437 M CA -0.523 54.794 55.300 0.028 0.000 0.902 437 M CB 1.821 34.444 32.600 0.038 0.000 1.752 437 M HN -0.118 nan 8.290 nan 0.000 0.504 438 I N 2.869 123.449 120.570 0.017 0.000 2.533 438 I HA 0.710 4.881 4.170 0.001 0.000 0.290 438 I C -0.666 175.492 176.117 0.069 0.000 1.056 438 I CA -0.787 60.540 61.300 0.045 0.000 1.057 438 I CB 2.236 40.155 38.000 -0.135 0.000 1.240 438 I HN 0.777 nan 8.210 nan 0.000 0.423 439 A N 6.273 129.160 122.820 0.112 0.000 2.304 439 A HA 0.743 5.064 4.320 0.001 0.000 0.314 439 A C -0.839 176.803 177.584 0.097 0.000 1.187 439 A CA -0.419 51.670 52.037 0.087 0.000 0.810 439 A CB 1.449 20.495 19.000 0.076 0.000 1.183 439 A HN 0.654 nan 8.150 nan 0.000 0.487 440 Q N 1.370 121.220 119.800 0.083 0.000 2.340 440 Q HA 0.548 4.888 4.340 0.001 0.000 0.276 440 Q C 0.231 176.263 176.000 0.053 0.000 1.048 440 Q CA 0.367 56.215 55.803 0.075 0.000 0.832 440 Q CB 1.927 30.729 28.738 0.106 0.000 1.373 440 Q HN 1.736 nan 8.270 nan 0.000 0.409 441 G N 1.503 110.327 108.800 0.040 0.000 2.699 441 G HA2 -0.266 3.694 3.960 0.001 0.000 0.198 441 G HA3 -0.266 3.694 3.960 0.001 0.000 0.198 441 G C 0.640 175.556 174.900 0.026 0.000 1.033 441 G CA 0.615 45.733 45.100 0.031 0.000 0.728 441 G HN 0.824 nan 8.290 nan 0.000 0.484 442 S N -0.328 115.392 115.700 0.032 0.000 2.496 442 S HA 0.523 4.993 4.470 0.001 0.000 0.224 442 S C 0.966 175.582 174.600 0.026 0.000 0.996 442 S CA 1.300 59.516 58.200 0.027 0.000 0.927 442 S CB 0.440 63.660 63.200 0.033 0.000 0.774 442 S HN 1.473 nan 8.310 nan 0.000 0.524 443 S N 0.139 115.858 115.700 0.033 0.000 2.503 443 S HA 0.387 4.858 4.470 0.001 0.000 0.301 443 S C 0.461 175.071 174.600 0.017 0.000 1.087 443 S CA -0.683 57.535 58.200 0.030 0.000 1.042 443 S CB 1.798 65.033 63.200 0.058 0.000 1.043 443 S HN 0.331 nan 8.310 nan 0.000 0.489 444 E N 2.017 122.224 120.200 0.012 0.000 2.216 444 E HA -0.052 4.298 4.350 0.001 0.000 0.192 444 E C 1.241 177.840 176.600 -0.001 0.000 0.988 444 E CA 1.556 57.959 56.400 0.005 0.000 0.834 444 E CB 0.171 29.874 29.700 0.005 0.000 0.772 444 E HN 0.645 nan 8.360 nan 0.000 0.479 445 V N -1.701 118.215 119.914 0.004 0.000 3.432 445 V HA 0.337 4.457 4.120 0.001 0.000 0.298 445 V C -0.091 175.993 176.094 -0.017 0.000 1.464 445 V CA -0.337 61.959 62.300 -0.006 0.000 1.046 445 V CB 0.032 31.858 31.823 0.006 0.000 0.887 445 V HN 0.043 nan 8.190 nan 0.000 0.441 446 N N 0.202 118.894 118.700 -0.013 0.000 2.249 446 N HA 0.677 5.418 4.740 0.001 0.000 0.296 446 N C -1.381 174.089 175.510 -0.066 0.000 1.051 446 N CA -0.637 52.387 53.050 -0.043 0.000 0.815 446 N CB 2.195 40.679 38.487 -0.004 0.000 1.487 446 N HN 0.284 nan 8.380 nan 0.000 0.475 447 I N 1.964 122.478 120.570 -0.094 0.000 2.447 447 I HA 0.366 4.536 4.170 0.001 0.000 0.287 447 I C -0.643 175.454 176.117 -0.033 0.000 1.023 447 I CA -0.657 60.624 61.300 -0.032 0.000 1.083 447 I CB 1.902 39.893 38.000 -0.015 0.000 1.245 447 I HN 0.449 nan 8.210 nan 0.000 0.434 448 S N 6.009 121.683 115.700 -0.043 0.000 2.532 448 S HA 0.839 5.309 4.470 0.001 0.000 0.301 448 S C -0.760 173.938 174.600 0.163 0.000 1.083 448 S CA -0.591 57.524 58.200 -0.142 0.000 1.025 448 S CB 1.792 64.698 63.200 -0.489 0.000 1.056 448 S HN 0.490 nan 8.310 nan 0.000 0.494 449 F N -1.010 118.950 119.950 0.016 0.000 2.662 449 F HA 0.858 5.385 4.527 0.001 0.000 0.312 449 F C -1.476 174.346 175.800 0.038 0.000 1.113 449 F CA -1.312 56.726 58.000 0.063 0.000 0.951 449 F CB 0.681 39.791 39.000 0.183 0.000 1.344 449 F HN 0.264 nan 8.300 nan 0.000 0.462 450 V N 2.949 122.970 119.914 0.179 0.000 2.495 450 V HA 0.700 4.821 4.120 0.001 0.000 0.298 450 V C -0.054 176.134 176.094 0.155 0.000 1.031 450 V CA -0.597 61.748 62.300 0.074 0.000 0.871 450 V CB 1.407 33.260 31.823 0.049 0.000 0.988 450 V HN 0.861 nan 8.190 nan 0.000 0.432 451 I N -0.255 120.381 120.570 0.111 0.000 3.239 451 I HA 0.668 4.838 4.170 0.001 0.000 0.314 451 I C -0.519 175.639 176.117 0.069 0.000 1.126 451 I CA -1.040 60.337 61.300 0.128 0.000 0.973 451 I CB 1.912 40.029 38.000 0.195 0.000 1.252 451 I HN 0.377 nan 8.210 nan 0.000 0.463 452 D N 2.230 122.669 120.400 0.064 0.000 2.455 452 D HA -0.039 4.602 4.640 0.001 0.000 0.241 452 D C 0.611 176.933 176.300 0.037 0.000 1.138 452 D CA 0.461 54.487 54.000 0.044 0.000 0.877 452 D CB 1.637 42.462 40.800 0.041 0.000 1.187 452 D HN 0.770 nan 8.370 nan 0.000 0.451 453 E N 2.515 122.730 120.200 0.025 0.000 2.118 453 E HA -0.255 4.095 4.350 0.001 0.000 0.195 453 E C 1.754 178.366 176.600 0.020 0.000 0.992 453 E CA 1.419 57.829 56.400 0.017 0.000 0.804 453 E CB 0.153 29.860 29.700 0.011 0.000 0.741 453 E HN 0.460 nan 8.360 nan 0.000 0.458 454 K N -0.046 120.368 120.400 0.022 0.000 2.211 454 K HA -0.154 4.166 4.320 0.001 0.000 0.204 454 K C 1.021 177.637 176.600 0.028 0.000 1.047 454 K CA 1.779 58.079 56.287 0.022 0.000 0.935 454 K CB 0.074 32.586 32.500 0.021 0.000 0.728 454 K HN 0.058 nan 8.250 nan 0.000 0.452 455 D N 0.820 121.242 120.400 0.038 0.000 2.328 455 D HA 0.035 4.675 4.640 0.001 0.000 0.221 455 D C 1.495 177.829 176.300 0.057 0.000 1.072 455 D CA 0.019 54.049 54.000 0.050 0.000 0.850 455 D CB 0.290 41.128 40.800 0.064 0.000 0.922 455 D HN 0.223 nan 8.370 nan 0.000 0.516 456 L N 0.269 121.516 121.223 0.041 0.000 1.970 456 L HA -0.173 4.168 4.340 0.001 0.000 0.212 456 L C 2.283 179.176 176.870 0.039 0.000 1.071 456 L CA 1.192 56.052 54.840 0.034 0.000 0.751 456 L CB -0.138 41.929 42.059 0.013 0.000 0.889 456 L HN 0.026 nan 8.230 nan 0.000 0.432 457 L N -0.047 121.193 121.223 0.029 0.000 1.989 457 L HA -0.292 4.049 4.340 0.001 0.000 0.211 457 L C 2.478 179.372 176.870 0.040 0.000 1.071 457 L CA 1.598 56.453 54.840 0.026 0.000 0.749 457 L CB -0.638 41.431 42.059 0.015 0.000 0.890 457 L HN 0.451 nan 8.230 nan 0.000 0.431 458 N N -0.787 117.940 118.700 0.045 0.000 2.104 458 N HA -0.236 4.504 4.740 0.001 0.000 0.190 458 N C 1.840 177.396 175.510 0.076 0.000 1.024 458 N CA 1.657 54.739 53.050 0.053 0.000 0.853 458 N CB -0.817 37.699 38.487 0.048 0.000 1.008 458 N HN 0.431 nan 8.380 nan 0.000 0.424 459 C N 0.545 119.903 119.300 0.096 0.000 2.432 459 C HA -0.028 4.433 4.460 0.001 0.000 0.277 459 C C 2.779 177.861 174.990 0.153 0.000 1.249 459 C CA 0.537 59.641 59.018 0.143 0.000 1.725 459 C CB -0.947 26.908 27.740 0.190 0.000 2.028 459 C HN 0.213 nan 8.230 nan 0.000 0.477 460 V N 0.947 120.932 119.914 0.118 0.000 2.343 460 V HA -0.184 3.936 4.120 0.001 0.000 0.247 460 V C 2.682 178.854 176.094 0.130 0.000 1.051 460 V CA 2.115 64.485 62.300 0.116 0.000 1.036 460 V CB -0.817 31.044 31.823 0.063 0.000 0.654 460 V HN 0.495 nan 8.190 nan 0.000 0.451 461 R N 0.063 120.619 120.500 0.094 0.000 2.083 461 R HA -0.235 4.105 4.340 0.001 0.000 0.237 461 R C 2.435 178.808 176.300 0.122 0.000 1.137 461 R CA 1.914 58.071 56.100 0.095 0.000 0.951 461 R CB -0.310 30.025 30.300 0.058 0.000 0.851 461 R HN 0.339 nan 8.270 nan 0.000 0.434 462 K N 0.418 120.881 120.400 0.105 0.000 2.057 462 K HA -0.093 4.228 4.320 0.001 0.000 0.206 462 K C 1.796 178.455 176.600 0.098 0.000 1.050 462 K CA 0.955 57.290 56.287 0.081 0.000 0.935 462 K CB -0.117 32.423 32.500 0.067 0.000 0.715 462 K HN -0.043 nan 8.250 nan 0.000 0.439 463 L N 0.561 121.889 121.223 0.175 0.000 2.093 463 L HA -0.143 4.197 4.340 0.001 0.000 0.208 463 L C 2.413 179.455 176.870 0.286 0.000 1.085 463 L CA 1.767 56.774 54.840 0.278 0.000 0.755 463 L CB -0.911 41.334 42.059 0.311 0.000 0.904 463 L HN 0.440 nan 8.230 nan 0.000 0.435 464 H N -0.381 118.773 119.070 0.141 0.000 2.363 464 H HA -0.104 4.452 4.556 0.001 0.000 0.301 464 H C 2.027 177.398 175.328 0.071 0.000 1.074 464 H CA 1.499 57.616 56.048 0.114 0.000 1.354 464 H CB 0.486 30.299 29.762 0.085 0.000 1.397 464 H HN 0.415 nan 8.280 nan 0.000 0.516 465 E N 0.611 120.883 120.200 0.119 0.000 2.049 465 E HA -0.203 4.147 4.350 0.001 0.000 0.198 465 E C 2.343 178.892 176.600 -0.085 0.000 1.007 465 E CA 1.214 57.627 56.400 0.021 0.000 0.809 465 E CB 0.041 29.754 29.700 0.021 0.000 0.749 465 E HN 0.322 nan 8.360 nan 0.000 0.450 466 K N -0.638 119.668 120.400 -0.157 0.000 2.103 466 K HA -0.091 4.230 4.320 0.001 0.000 0.204 466 K C 1.655 177.964 176.600 -0.485 0.000 1.052 466 K CA 0.961 57.015 56.287 -0.388 0.000 0.945 466 K CB 0.116 32.241 32.500 -0.624 0.000 0.722 466 K HN 0.040 nan 8.250 nan 0.000 0.443 467 F N -0.737 119.163 119.950 -0.083 0.000 2.622 467 F HA 0.144 4.671 4.527 0.001 0.000 0.288 467 F C 1.606 177.323 175.800 -0.138 0.000 1.120 467 F CA 0.055 57.998 58.000 -0.096 0.000 1.423 467 F CB 0.289 39.242 39.000 -0.077 0.000 1.127 467 F HN -0.092 nan 8.300 nan 0.000 0.588 468 I N -0.799 119.720 120.570 -0.084 0.000 3.443 468 I HA 0.023 4.194 4.170 0.001 0.000 0.277 468 I C 1.974 177.980 176.117 -0.186 0.000 1.169 468 I CA 0.702 61.875 61.300 -0.213 0.000 1.419 468 I CB -0.320 37.362 38.000 -0.530 0.000 1.331 468 I HN -0.111 nan 8.210 nan 0.000 0.458 469 E N 1.629 121.709 120.200 -0.200 0.000 2.006 469 E HA -0.118 4.232 4.350 0.001 0.000 0.192 469 E C 0.199 176.769 176.600 -0.051 0.000 0.993 469 E CA 0.832 57.182 56.400 -0.084 0.000 0.808 469 E CB -0.123 29.567 29.700 -0.016 0.000 0.764 469 E HN 0.353 nan 8.360 nan 0.000 0.449 470 K N 0.000 120.366 120.400 -0.057 0.000 2.780 470 K HA 0.000 4.320 4.320 0.001 0.000 0.191 470 K CA 0.000 56.259 56.287 -0.047 0.000 0.838 470 K CB 0.000 32.470 32.500 -0.049 0.000 1.064 470 K HN 0.000 nan 8.250 nan 0.000 0.543