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_B 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 GDXXXXSFLN 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 0.000 174.717 174.700 0.029 0.000 1.109 2 T CA 0.000 62.112 62.100 0.019 0.000 1.349 2 T CB 0.000 68.875 68.868 0.012 0.000 0.612 3 T N 2.383 116.960 114.554 0.039 0.000 2.779 3 T HA 0.642 5.043 4.350 0.084 0.000 0.280 3 T C -0.171 174.565 174.700 0.060 0.000 0.987 3 T CA -0.672 61.460 62.100 0.053 0.000 0.966 3 T CB 1.864 70.772 68.868 0.067 0.000 0.933 3 T HN 0.564 nan 8.240 nan 0.000 0.442 4 V N 5.813 125.764 119.914 0.062 0.000 2.394 4 V HA 0.673 4.843 4.120 0.084 0.000 0.282 4 V C -0.852 175.289 176.094 0.078 0.000 1.031 4 V CA -0.750 61.590 62.300 0.066 0.000 0.881 4 V CB 0.930 32.785 31.823 0.055 0.000 0.982 4 V HN 0.905 nan 8.190 nan 0.000 0.451 5 M N 7.865 127.519 119.600 0.090 0.000 2.134 5 M HA 0.515 5.045 4.480 0.084 0.000 0.310 5 M C -0.658 175.636 176.300 -0.010 0.000 0.966 5 M CA -0.435 54.904 55.300 0.065 0.000 0.922 5 M CB 1.741 34.413 32.600 0.119 0.000 1.537 5 M HN 0.476 nan 8.290 nan 0.000 0.424 6 K N 3.688 124.034 120.400 -0.091 0.000 2.185 6 K HA 0.552 4.922 4.320 0.084 0.000 0.269 6 K C -1.887 174.563 176.600 -0.250 0.000 0.987 6 K CA -0.135 56.119 56.287 -0.055 0.000 0.865 6 K CB 0.930 33.440 32.500 0.017 0.000 1.090 6 K HN 0.536 nan 8.250 nan 0.000 0.450 7 F N 1.158 121.174 119.950 0.111 0.000 2.458 7 F HA 0.383 4.959 4.527 0.081 0.000 0.336 7 F C 1.138 176.986 175.800 0.080 0.000 1.114 7 F CA -0.478 57.578 58.000 0.093 0.000 0.987 7 F CB 1.856 40.854 39.000 -0.004 0.000 1.130 7 F HN 0.630 nan 8.300 nan 0.000 0.458 8 G N 0.772 109.718 108.800 0.244 0.000 2.563 8 G HA2 0.393 4.403 3.960 0.084 0.000 0.283 8 G HA3 0.393 4.403 3.960 0.084 0.000 0.283 8 G C 1.009 176.004 174.900 0.158 0.000 1.309 8 G CA -0.227 44.974 45.100 0.168 0.000 1.022 8 G HN 0.851 nan 8.290 nan 0.000 0.501 9 G N -1.182 107.691 108.800 0.122 0.000 2.402 9 G HA2 -0.131 3.879 3.960 0.084 0.000 0.216 9 G HA3 -0.131 3.879 3.960 0.084 0.000 0.216 9 G C 1.860 176.841 174.900 0.134 0.000 1.162 9 G CA 2.082 47.247 45.100 0.108 0.000 0.777 9 G HN 0.851 nan 8.290 nan 0.000 0.539 10 T N -1.102 113.558 114.554 0.177 0.000 2.904 10 T HA -0.040 4.360 4.350 0.084 0.000 0.267 10 T C 2.485 177.391 174.700 0.343 0.000 1.059 10 T CA 1.625 63.878 62.100 0.256 0.000 1.137 10 T CB -0.344 68.704 68.868 0.301 0.000 0.879 10 T HN 0.137 nan 8.240 nan 0.000 0.467 11 S N 1.594 117.429 115.700 0.224 0.000 2.399 11 S HA -0.015 4.506 4.470 0.084 0.000 0.231 11 S C 1.716 176.349 174.600 0.055 0.000 1.022 11 S CA 1.212 59.444 58.200 0.053 0.000 0.983 11 S CB -0.421 62.863 63.200 0.139 0.000 0.803 11 S HN 0.724 nan 8.310 nan 0.000 0.480 12 V N -1.023 118.942 119.914 0.086 0.000 2.982 12 V HA 0.600 4.770 4.120 0.084 0.000 0.368 12 V C 1.186 177.309 176.094 0.048 0.000 1.350 12 V CA 0.047 62.368 62.300 0.035 0.000 1.251 12 V CB -0.096 31.736 31.823 0.015 0.000 1.284 12 V HN 0.260 nan 8.190 nan 0.000 0.533 13 G N 1.006 109.862 108.800 0.094 0.000 2.848 13 G HA2 0.344 4.354 3.960 0.084 0.000 0.208 13 G HA3 0.344 4.354 3.960 0.084 0.000 0.208 13 G C 0.474 175.389 174.900 0.025 0.000 1.152 13 G CA 0.827 45.971 45.100 0.072 0.000 0.789 13 G HN 0.992 nan 8.290 nan 0.000 0.531 14 S N -3.340 112.370 115.700 0.016 0.000 2.611 14 S HA 0.548 5.069 4.470 0.084 0.000 0.268 14 S C 1.135 175.721 174.600 -0.022 0.000 1.156 14 S CA 0.200 58.389 58.200 -0.018 0.000 0.817 14 S CB 0.981 64.180 63.200 -0.001 0.000 1.122 14 S HN 0.339 nan 8.310 nan 0.000 0.466 15 G N 0.656 109.435 108.800 -0.035 0.000 2.446 15 G HA2 -0.210 3.800 3.960 0.084 0.000 0.217 15 G HA3 -0.210 3.800 3.960 0.084 0.000 0.217 15 G C 1.045 175.933 174.900 -0.019 0.000 1.168 15 G CA 1.210 46.291 45.100 -0.032 0.000 0.771 15 G HN 0.901 nan 8.290 nan 0.000 0.551 16 E N 0.413 120.610 120.200 -0.006 0.000 2.049 16 E HA -0.197 4.203 4.350 0.084 0.000 0.198 16 E C 2.684 179.302 176.600 0.030 0.000 1.007 16 E CA 1.031 57.436 56.400 0.009 0.000 0.809 16 E CB -0.141 29.565 29.700 0.010 0.000 0.749 16 E HN 0.386 nan 8.360 nan 0.000 0.450 17 R N 0.019 120.548 120.500 0.047 0.000 2.096 17 R HA -0.094 4.296 4.340 0.084 0.000 0.235 17 R C 2.553 178.857 176.300 0.007 0.000 1.127 17 R CA 1.380 57.526 56.100 0.077 0.000 0.968 17 R CB -0.281 30.099 30.300 0.134 0.000 0.861 17 R HN 0.310 nan 8.270 nan 0.000 0.440 18 I N 0.092 120.642 120.570 -0.033 0.000 2.286 18 I HA -0.298 3.923 4.170 0.084 0.000 0.248 18 I C 2.697 178.737 176.117 -0.129 0.000 1.115 18 I CA 1.233 62.474 61.300 -0.097 0.000 1.392 18 I CB -0.206 37.752 38.000 -0.070 0.000 1.065 18 I HN 0.156 nan 8.210 nan 0.000 0.418 19 R N -0.038 120.419 120.500 -0.072 0.000 2.073 19 R HA -0.220 4.171 4.340 0.084 0.000 0.229 19 R C 2.499 178.747 176.300 -0.086 0.000 1.120 19 R CA 1.509 57.564 56.100 -0.074 0.000 0.967 19 R CB -0.275 30.003 30.300 -0.035 0.000 0.862 19 R HN 0.377 nan 8.270 nan 0.000 0.436 20 H N -0.153 118.835 119.070 -0.136 0.000 2.387 20 H HA -0.078 4.528 4.556 0.084 0.000 0.299 20 H C 1.754 176.922 175.328 -0.265 0.000 1.099 20 H CA 2.004 57.962 56.048 -0.151 0.000 1.315 20 H CB -0.117 29.587 29.762 -0.097 0.000 1.380 20 H HN 0.004 nan 8.280 nan 0.000 0.513 21 V N 0.721 120.377 119.914 -0.430 0.000 2.261 21 V HA -0.258 3.912 4.120 0.084 0.000 0.246 21 V C 2.752 178.424 176.094 -0.703 0.000 1.047 21 V CA 1.791 63.617 62.300 -0.790 0.000 1.015 21 V CB -1.310 29.950 31.823 -0.940 0.000 0.642 21 V HN 0.720 nan 8.190 nan 0.000 0.446 22 A N -0.640 121.906 122.820 -0.457 0.000 2.032 22 A HA -0.276 4.094 4.320 0.084 0.000 0.221 22 A C 2.245 179.667 177.584 -0.271 0.000 1.165 22 A CA 2.068 53.915 52.037 -0.316 0.000 0.645 22 A CB -0.465 18.411 19.000 -0.207 0.000 0.807 22 A HN 0.583 nan 8.150 nan 0.000 0.453 23 K N -0.637 119.587 120.400 -0.293 0.000 2.155 23 K HA 0.051 4.421 4.320 0.084 0.000 0.203 23 K C 1.695 178.120 176.600 -0.291 0.000 1.052 23 K CA 1.195 57.333 56.287 -0.249 0.000 0.948 23 K CB -0.244 32.132 32.500 -0.208 0.000 0.728 23 K HN 0.564 nan 8.250 nan 0.000 0.448 24 I N 0.482 120.786 120.570 -0.443 0.000 2.202 24 I HA -0.251 3.970 4.170 0.084 0.000 0.242 24 I C 2.145 178.116 176.117 -0.244 0.000 1.091 24 I CA 0.949 62.007 61.300 -0.405 0.000 1.368 24 I CB -0.284 37.319 38.000 -0.662 0.000 1.058 24 I HN -0.092 nan 8.210 nan 0.000 0.410 25 V N 0.218 119.983 119.914 -0.248 0.000 2.295 25 V HA -0.323 3.847 4.120 0.084 0.000 0.246 25 V C 2.585 178.630 176.094 -0.082 0.000 1.049 25 V CA 2.595 64.825 62.300 -0.116 0.000 1.024 25 V CB -0.933 30.816 31.823 -0.124 0.000 0.648 25 V HN 0.507 nan 8.190 nan 0.000 0.447 26 T N -1.081 113.409 114.554 -0.106 0.000 2.915 26 T HA -0.227 4.174 4.350 0.084 0.000 0.269 26 T C 1.941 176.609 174.700 -0.052 0.000 1.071 26 T CA 1.863 63.920 62.100 -0.071 0.000 1.132 26 T CB -0.163 68.660 68.868 -0.076 0.000 0.878 26 T HN 0.504 nan 8.240 nan 0.000 0.479 27 K N -0.130 120.232 120.400 -0.063 0.000 2.103 27 K HA 0.033 4.403 4.320 0.084 0.000 0.204 27 K C 2.620 179.216 176.600 -0.006 0.000 1.052 27 K CA 0.638 56.904 56.287 -0.035 0.000 0.945 27 K CB 0.001 32.474 32.500 -0.044 0.000 0.722 27 K HN 0.076 nan 8.250 nan 0.000 0.443 28 R N 0.949 121.449 120.500 0.001 0.000 2.075 28 R HA -0.108 4.282 4.340 0.084 0.000 0.232 28 R C 2.111 178.425 176.300 0.024 0.000 1.126 28 R CA 1.296 57.416 56.100 0.034 0.000 0.963 28 R CB -0.273 30.063 30.300 0.061 0.000 0.858 28 R HN 0.071 nan 8.270 nan 0.000 0.435 29 K N 1.469 121.874 120.400 0.008 0.000 2.160 29 K HA -0.168 4.202 4.320 0.084 0.000 0.206 29 K C 1.532 178.135 176.600 0.006 0.000 1.047 29 K CA 1.691 57.981 56.287 0.005 0.000 0.930 29 K CB -0.019 32.477 32.500 -0.007 0.000 0.720 29 K HN 0.033 nan 8.250 nan 0.000 0.450 30 K N -0.328 120.075 120.400 0.004 0.000 2.486 30 K HA -0.029 4.341 4.320 0.084 0.000 0.194 30 K C 1.407 178.014 176.600 0.011 0.000 1.033 30 K CA 1.027 57.316 56.287 0.005 0.000 1.004 30 K CB 0.198 32.699 32.500 0.002 0.000 0.798 30 K HN 0.296 nan 8.250 nan 0.000 0.495 31 E N -0.073 120.137 120.200 0.018 0.000 2.228 31 E HA 0.005 4.405 4.350 0.084 0.000 0.197 31 E C -0.069 176.543 176.600 0.021 0.000 0.909 31 E CA 0.225 56.638 56.400 0.022 0.000 0.911 31 E CB 0.522 30.241 29.700 0.031 0.000 0.887 31 E HN 0.017 nan 8.360 nan 0.000 0.481 32 D N 0.212 120.627 120.400 0.025 0.000 2.425 32 D HA 0.041 4.731 4.640 0.084 0.000 0.240 32 D C -0.543 175.768 176.300 0.018 0.000 1.080 32 D CA -0.198 53.815 54.000 0.023 0.000 0.836 32 D CB 1.725 42.544 40.800 0.031 0.000 1.125 32 D HN -0.122 nan 8.370 nan 0.000 0.525 33 D N 1.831 122.239 120.400 0.013 0.000 2.348 33 D HA -0.076 4.614 4.640 0.084 0.000 0.216 33 D C -0.520 175.786 176.300 0.010 0.000 0.970 33 D CA 0.647 54.652 54.000 0.009 0.000 0.889 33 D CB 0.395 41.199 40.800 0.006 0.000 0.912 33 D HN 0.233 nan 8.370 nan 0.000 0.524 34 D N 0.680 121.088 120.400 0.014 0.000 2.477 34 D HA 0.175 4.865 4.640 0.084 0.000 0.239 34 D C -0.880 175.434 176.300 0.023 0.000 1.102 34 D CA -0.267 53.742 54.000 0.015 0.000 0.901 34 D CB 1.589 42.397 40.800 0.012 0.000 1.026 34 D HN -0.110 nan 8.370 nan 0.000 0.515 35 V N 2.184 122.113 119.914 0.025 0.000 2.448 35 V HA 0.368 4.539 4.120 0.084 0.000 0.295 35 V C 0.136 176.253 176.094 0.038 0.000 1.025 35 V CA -0.776 61.547 62.300 0.037 0.000 0.859 35 V CB 2.311 34.157 31.823 0.039 0.000 0.988 35 V HN 0.147 nan 8.190 nan 0.000 0.431 36 V N 5.537 125.480 119.914 0.048 0.000 2.495 36 V HA 0.499 4.669 4.120 0.084 0.000 0.298 36 V C -0.175 175.963 176.094 0.074 0.000 1.031 36 V CA -0.682 61.648 62.300 0.049 0.000 0.871 36 V CB 2.024 33.870 31.823 0.039 0.000 0.988 36 V HN 0.593 nan 8.190 nan 0.000 0.432 37 V N 5.372 125.335 119.914 0.081 0.000 2.439 37 V HA 0.476 4.646 4.120 0.084 0.000 0.282 37 V C -0.098 176.064 176.094 0.114 0.000 1.039 37 V CA -0.496 61.882 62.300 0.129 0.000 0.913 37 V CB 1.788 33.686 31.823 0.125 0.000 0.983 37 V HN 0.617 nan 8.190 nan 0.000 0.460 38 V N 5.408 125.404 119.914 0.137 0.000 2.417 38 V HA 0.568 4.738 4.120 0.084 0.000 0.291 38 V C -0.275 175.920 176.094 0.168 0.000 1.024 38 V CA -0.580 61.790 62.300 0.117 0.000 0.861 38 V CB 1.855 33.729 31.823 0.084 0.000 0.985 38 V HN 0.600 nan 8.190 nan 0.000 0.436 39 V N 4.226 124.227 119.914 0.145 0.000 2.656 39 V HA 0.608 4.778 4.120 0.084 0.000 0.307 39 V C 0.199 176.372 176.094 0.131 0.000 1.051 39 V CA -0.006 62.391 62.300 0.161 0.000 0.893 39 V CB 2.717 34.617 31.823 0.127 0.000 0.999 39 V HN 0.953 nan 8.190 nan 0.000 0.426 40 S N 3.701 119.479 115.700 0.129 0.000 2.645 40 S HA 0.725 5.245 4.470 0.084 0.000 0.266 40 S C 0.338 174.997 174.600 0.098 0.000 1.258 40 S CA 0.072 58.329 58.200 0.095 0.000 0.990 40 S CB 1.435 64.675 63.200 0.067 0.000 0.967 40 S HN 1.290 nan 8.310 nan 0.000 0.556 41 A N 1.685 124.555 122.820 0.084 0.000 2.466 41 A HA 0.292 4.662 4.320 0.084 0.000 0.238 41 A C 0.463 178.110 177.584 0.105 0.000 1.074 41 A CA -0.052 52.055 52.037 0.117 0.000 0.774 41 A CB -0.328 18.739 19.000 0.111 0.000 1.015 41 A HN 0.801 nan 8.150 nan 0.000 0.498 42 M N 1.416 121.090 119.600 0.123 0.000 2.252 42 M HA 0.004 4.534 4.480 0.084 0.000 0.329 42 M C 1.105 177.452 176.300 0.078 0.000 1.101 42 M CA 0.389 55.731 55.300 0.069 0.000 1.117 42 M CB 0.100 32.688 32.600 -0.021 0.000 1.563 42 M HN 0.791 nan 8.290 nan 0.000 0.445 43 S N 1.370 117.113 115.700 0.072 0.000 2.626 43 S HA -0.067 4.454 4.470 0.084 0.000 0.303 43 S C 0.827 175.482 174.600 0.092 0.000 1.256 43 S CA 0.577 58.824 58.200 0.079 0.000 1.069 43 S CB -0.049 63.199 63.200 0.081 0.000 0.807 43 S HN 0.803 nan 8.310 nan 0.000 0.500 44 E N 1.388 121.644 120.200 0.092 0.000 3.975 44 E HA -0.210 4.191 4.350 0.084 0.000 0.342 44 E C 0.798 177.501 176.600 0.171 0.000 0.677 44 E CA 1.453 57.920 56.400 0.112 0.000 1.238 44 E CB -2.036 27.730 29.700 0.111 0.000 1.665 44 E HN 0.760 nan 8.360 nan 0.000 0.429 45 V N -2.439 117.593 119.914 0.198 0.000 2.427 45 V HA -0.176 3.994 4.120 0.084 0.000 0.248 45 V C 1.937 178.184 176.094 0.255 0.000 1.051 45 V CA 2.355 64.829 62.300 0.289 0.000 1.048 45 V CB -0.835 31.175 31.823 0.311 0.000 0.666 45 V HN 0.279 nan 8.190 nan 0.000 0.456 46 T N 1.507 116.157 114.554 0.160 0.000 2.720 46 T HA -0.177 4.223 4.350 0.084 0.000 0.268 46 T C 1.857 176.632 174.700 0.124 0.000 1.037 46 T CA 2.140 64.315 62.100 0.125 0.000 1.144 46 T CB -0.616 68.243 68.868 -0.015 0.000 0.864 46 T HN 0.574 nan 8.240 nan 0.000 0.444 47 N N 1.503 120.262 118.700 0.098 0.000 2.104 47 N HA -0.033 4.757 4.740 0.084 0.000 0.190 47 N C 2.123 177.685 175.510 0.087 0.000 1.024 47 N CA 1.417 54.514 53.050 0.078 0.000 0.853 47 N CB -0.659 37.863 38.487 0.058 0.000 1.008 47 N HN 0.459 nan 8.380 nan 0.000 0.424 48 A N 0.943 123.851 122.820 0.147 0.000 1.933 48 A HA -0.036 4.335 4.320 0.084 0.000 0.218 48 A C 2.392 180.078 177.584 0.169 0.000 1.175 48 A CA 0.868 53.022 52.037 0.195 0.000 0.628 48 A CB -0.671 18.514 19.000 0.309 0.000 0.814 48 A HN 0.218 nan 8.150 nan 0.000 0.444 49 L N -0.629 120.726 121.223 0.221 0.000 2.093 49 L HA -0.149 4.241 4.340 0.084 0.000 0.208 49 L C 2.512 179.365 176.870 -0.028 0.000 1.085 49 L CA 0.932 55.823 54.840 0.085 0.000 0.755 49 L CB -0.514 41.680 42.059 0.225 0.000 0.904 49 L HN 0.239 nan 8.230 nan 0.000 0.435 50 V N 0.728 120.661 119.914 0.033 0.000 2.295 50 V HA -0.298 3.873 4.120 0.084 0.000 0.246 50 V C 2.522 178.592 176.094 -0.040 0.000 1.049 50 V CA 2.274 64.584 62.300 0.016 0.000 1.024 50 V CB -0.733 31.118 31.823 0.047 0.000 0.648 50 V HN 0.668 nan 8.190 nan 0.000 0.447 51 E N 0.149 120.315 120.200 -0.056 0.000 2.152 51 E HA -0.218 4.182 4.350 0.084 0.000 0.192 51 E C 2.122 178.632 176.600 -0.150 0.000 0.983 51 E CA 1.439 57.792 56.400 -0.078 0.000 0.818 51 E CB -0.406 29.262 29.700 -0.053 0.000 0.758 51 E HN 0.490 nan 8.360 nan 0.000 0.467 52 I N 1.540 121.937 120.570 -0.288 0.000 2.546 52 I HA -0.157 4.063 4.170 0.084 0.000 0.255 52 I C 1.849 177.796 176.117 -0.283 0.000 1.163 52 I CA 0.930 61.975 61.300 -0.425 0.000 1.457 52 I CB -0.082 37.276 38.000 -1.070 0.000 1.092 52 I HN 0.023 nan 8.210 nan 0.000 0.434 53 S N -0.005 115.572 115.700 -0.206 0.000 2.345 53 S HA -0.227 4.293 4.470 0.084 0.000 0.220 53 S C 1.900 176.452 174.600 -0.079 0.000 1.031 53 S CA 1.296 59.427 58.200 -0.114 0.000 0.996 53 S CB -0.403 62.762 63.200 -0.058 0.000 0.882 53 S HN 0.453 nan 8.310 nan 0.000 0.445 54 Q N 1.485 121.244 119.800 -0.068 0.000 2.084 54 Q HA -0.063 4.328 4.340 0.084 0.000 0.202 54 Q C 2.145 178.115 176.000 -0.050 0.000 0.978 54 Q CA 1.614 57.390 55.803 -0.045 0.000 0.844 54 Q CB -0.464 28.254 28.738 -0.033 0.000 0.898 54 Q HN 0.590 nan 8.270 nan 0.000 0.426 55 Q N -0.991 118.766 119.800 -0.072 0.000 2.050 55 Q HA -0.126 4.265 4.340 0.084 0.000 0.202 55 Q C 1.976 177.942 176.000 -0.057 0.000 0.980 55 Q CA 1.503 57.267 55.803 -0.065 0.000 0.840 55 Q CB -0.278 28.410 28.738 -0.082 0.000 0.898 55 Q HN 0.474 nan 8.270 nan 0.000 0.424 56 A N 0.588 123.362 122.820 -0.077 0.000 1.933 56 A HA -0.174 4.196 4.320 0.084 0.000 0.218 56 A C 2.009 179.574 177.584 -0.032 0.000 1.175 56 A CA 1.188 53.190 52.037 -0.059 0.000 0.628 56 A CB -0.520 18.430 19.000 -0.083 0.000 0.814 56 A HN 0.367 nan 8.150 nan 0.000 0.444 57 L N -0.402 120.802 121.223 -0.032 0.000 2.044 57 L HA -0.075 4.315 4.340 0.084 0.000 0.205 57 L C 1.691 178.554 176.870 -0.011 0.000 1.075 57 L CA 2.382 57.211 54.840 -0.017 0.000 0.747 57 L CB -0.450 41.597 42.059 -0.019 0.000 0.903 57 L HN 0.300 nan 8.230 nan 0.000 0.435 58 D N -0.469 119.922 120.400 -0.015 0.000 2.113 58 D HA -0.098 4.593 4.640 0.084 0.000 0.206 58 D C 2.157 178.454 176.300 -0.006 0.000 0.979 58 D CA 2.216 56.210 54.000 -0.010 0.000 0.862 58 D CB -0.458 40.335 40.800 -0.013 0.000 1.013 58 D HN 0.386 nan 8.370 nan 0.000 0.455 59 V N -1.654 118.255 119.914 -0.008 0.000 2.649 59 V HA 0.144 4.314 4.120 0.084 0.000 0.248 59 V C 0.724 176.820 176.094 0.004 0.000 1.054 59 V CA 0.499 62.798 62.300 -0.003 0.000 1.073 59 V CB -0.643 31.177 31.823 -0.005 0.000 0.699 59 V HN 0.193 nan 8.190 nan 0.000 0.463 60 R N 0.555 121.057 120.500 0.004 0.000 3.532 60 R HA -0.147 4.243 4.340 0.084 0.000 0.284 60 R C -0.111 176.208 176.300 0.032 0.000 1.140 60 R CA 0.980 57.092 56.100 0.020 0.000 0.768 60 R CB -2.272 28.049 30.300 0.035 0.000 1.252 60 R HN 0.723 nan 8.270 nan 0.000 0.454 61 D N 0.971 121.380 120.400 0.016 0.000 2.316 61 D HA 0.133 4.823 4.640 0.084 0.000 0.245 61 D C 1.457 177.769 176.300 0.019 0.000 1.171 61 D CA -0.239 53.774 54.000 0.022 0.000 0.856 61 D CB 0.719 41.526 40.800 0.012 0.000 1.090 61 D HN 0.348 nan 8.370 nan 0.000 0.476 62 I N 1.634 122.226 120.570 0.037 0.000 2.546 62 I HA -0.060 4.160 4.170 0.084 0.000 0.255 62 I C 1.884 178.011 176.117 0.017 0.000 1.163 62 I CA 0.622 61.935 61.300 0.022 0.000 1.457 62 I CB -0.056 37.975 38.000 0.051 0.000 1.092 62 I HN 0.245 nan 8.210 nan 0.000 0.434 63 A N 1.543 124.377 122.820 0.024 0.000 1.929 63 A HA -0.156 4.214 4.320 0.084 0.000 0.216 63 A C 2.473 180.073 177.584 0.027 0.000 1.176 63 A CA 1.646 53.696 52.037 0.023 0.000 0.628 63 A CB -0.526 18.487 19.000 0.021 0.000 0.816 63 A HN 0.471 nan 8.150 nan 0.000 0.444 64 K N -0.333 120.081 120.400 0.023 0.000 2.148 64 K HA -0.040 4.331 4.320 0.084 0.000 0.204 64 K C 1.735 178.365 176.600 0.050 0.000 1.050 64 K CA 1.212 57.516 56.287 0.028 0.000 0.942 64 K CB -0.148 32.356 32.500 0.008 0.000 0.724 64 K HN 0.251 nan 8.250 nan 0.000 0.446 65 V N 0.394 120.326 119.914 0.029 0.000 2.358 65 V HA -0.157 4.013 4.120 0.084 0.000 0.246 65 V C 2.320 178.469 176.094 0.093 0.000 1.047 65 V CA 2.109 64.433 62.300 0.041 0.000 1.035 65 V CB -0.707 31.105 31.823 -0.018 0.000 0.658 65 V HN 0.572 nan 8.190 nan 0.000 0.452 66 G N -0.135 108.695 108.800 0.051 0.000 2.446 66 G HA2 -0.275 3.735 3.960 0.084 0.000 0.217 66 G HA3 -0.275 3.735 3.960 0.084 0.000 0.217 66 G C 1.235 176.171 174.900 0.059 0.000 1.168 66 G CA 1.114 46.239 45.100 0.041 0.000 0.771 66 G HN 0.512 nan 8.290 nan 0.000 0.551 67 D N -0.127 120.316 120.400 0.073 0.000 2.178 67 D HA -0.101 4.590 4.640 0.084 0.000 0.201 67 D C 1.947 178.320 176.300 0.122 0.000 0.980 67 D CA 0.573 54.619 54.000 0.076 0.000 0.842 67 D CB -0.270 40.568 40.800 0.065 0.000 0.948 67 D HN 0.371 nan 8.370 nan 0.000 0.472 68 F N 1.423 121.385 119.950 0.020 0.000 2.128 68 F HA -0.123 4.453 4.527 0.083 0.000 0.295 68 F C 2.105 177.972 175.800 0.111 0.000 1.100 68 F CA 0.744 58.780 58.000 0.060 0.000 1.260 68 F CB -0.011 38.993 39.000 0.007 0.000 1.009 68 F HN -0.206 nan 8.300 nan 0.000 0.476 69 I N 0.748 121.390 120.570 0.120 0.000 2.248 69 I HA -0.302 3.918 4.170 0.084 0.000 0.248 69 I C 2.157 178.204 176.117 -0.116 0.000 1.107 69 I CA 1.535 62.822 61.300 -0.021 0.000 1.373 69 I CB -1.337 36.668 38.000 0.007 0.000 1.055 69 I HN 0.176 nan 8.210 nan 0.000 0.418 70 K N 0.201 120.561 120.400 -0.068 0.000 2.097 70 K HA -0.178 4.192 4.320 0.084 0.000 0.205 70 K C 2.020 178.557 176.600 -0.104 0.000 1.050 70 K CA 1.098 57.330 56.287 -0.092 0.000 0.938 70 K CB -0.468 32.007 32.500 -0.042 0.000 0.718 70 K HN 0.237 nan 8.250 nan 0.000 0.442 71 F N 0.904 120.712 119.950 -0.236 0.000 2.102 71 F HA -0.162 4.361 4.527 -0.007 0.000 0.298 71 F C 1.698 177.337 175.800 -0.268 0.000 1.105 71 F CA 1.308 59.157 58.000 -0.250 0.000 1.239 71 F CB -0.068 38.754 39.000 -0.297 0.000 0.991 71 F HN -0.104 nan 8.300 nan 0.000 0.474 72 I N 0.715 120.996 120.570 -0.483 0.000 2.315 72 I HA -0.207 4.013 4.170 0.084 0.000 0.248 72 I C 2.571 178.550 176.117 -0.230 0.000 1.117 72 I CA 1.268 62.303 61.300 -0.442 0.000 1.404 72 I CB -0.950 36.831 38.000 -0.366 0.000 1.071 72 I HN 0.276 nan 8.210 nan 0.000 0.419 73 R N 1.065 121.400 120.500 -0.274 0.000 2.062 73 R HA -0.227 4.163 4.340 0.084 0.000 0.231 73 R C 2.236 178.315 176.300 -0.368 0.000 1.136 73 R CA 1.943 57.837 56.100 -0.343 0.000 0.948 73 R CB -0.209 29.813 30.300 -0.465 0.000 0.845 73 R HN 0.329 nan 8.270 nan 0.000 0.430 74 E N 0.663 120.665 120.200 -0.330 0.000 2.058 74 E HA -0.285 4.115 4.350 0.084 0.000 0.194 74 E C 1.986 178.478 176.600 -0.180 0.000 0.997 74 E CA 1.839 58.102 56.400 -0.229 0.000 0.801 74 E CB -0.039 29.555 29.700 -0.177 0.000 0.746 74 E HN 0.265 nan 8.360 nan 0.000 0.450 75 K N -0.590 119.611 120.400 -0.333 0.000 2.059 75 K HA -0.260 4.111 4.320 0.084 0.000 0.212 75 K C 1.910 178.341 176.600 -0.282 0.000 1.050 75 K CA 2.217 58.268 56.287 -0.393 0.000 0.927 75 K CB -0.220 31.851 32.500 -0.716 0.000 0.714 75 K HN 0.288 nan 8.250 nan 0.000 0.447 76 H N -1.830 117.166 119.070 -0.123 0.000 2.482 76 H HA 0.015 4.628 4.556 0.094 0.000 0.286 76 H C 1.443 176.846 175.328 0.125 0.000 1.017 76 H CA 1.249 57.296 56.048 -0.001 0.000 1.322 76 H CB 0.067 29.837 29.762 0.012 0.000 1.426 76 H HN 0.200 nan 8.280 nan 0.000 0.546 77 Y N 1.179 121.479 120.300 0.000 0.000 2.181 77 Y HA -0.177 4.423 4.550 0.082 0.000 0.288 77 Y C 2.489 178.364 175.900 -0.042 0.000 1.146 77 Y CA 1.221 59.308 58.100 -0.021 0.000 1.164 77 Y CB -0.353 38.089 38.460 -0.031 0.000 0.982 77 Y HN 0.094 nan 8.280 nan 0.000 0.515 78 K N 0.019 120.476 120.400 0.096 0.000 2.063 78 K HA -0.195 4.175 4.320 0.084 0.000 0.208 78 K C 2.237 178.826 176.600 -0.018 0.000 1.048 78 K CA 1.398 57.692 56.287 0.011 0.000 0.928 78 K CB -0.280 32.200 32.500 -0.034 0.000 0.713 78 K HN 0.222 nan 8.250 nan 0.000 0.442 79 A N 0.805 123.603 122.820 -0.037 0.000 1.930 79 A HA -0.087 4.283 4.320 0.084 0.000 0.217 79 A C 2.057 179.623 177.584 -0.030 0.000 1.175 79 A CA 1.333 53.340 52.037 -0.050 0.000 0.627 79 A CB -0.479 18.467 19.000 -0.089 0.000 0.815 79 A HN 0.347 nan 8.150 nan 0.000 0.443 80 I N -0.867 119.691 120.570 -0.020 0.000 2.252 80 I HA -0.206 4.015 4.170 0.084 0.000 0.245 80 I C 2.446 178.533 176.117 -0.051 0.000 1.102 80 I CA 1.652 62.927 61.300 -0.042 0.000 1.385 80 I CB -0.197 37.755 38.000 -0.078 0.000 1.064 80 I HN 0.298 nan 8.210 nan 0.000 0.414 81 E N 0.922 121.094 120.200 -0.047 0.000 2.268 81 E HA -0.187 4.213 4.350 0.084 0.000 0.195 81 E C 1.695 178.277 176.600 -0.031 0.000 0.995 81 E CA 1.118 57.494 56.400 -0.040 0.000 0.836 81 E CB 0.098 29.780 29.700 -0.029 0.000 0.763 81 E HN 0.427 nan 8.360 nan 0.000 0.491 82 E N -1.784 118.399 120.200 -0.029 0.000 2.476 82 E HA 0.206 4.606 4.350 0.084 0.000 0.199 82 E C 1.039 177.624 176.600 -0.026 0.000 1.021 82 E CA 0.421 56.806 56.400 -0.025 0.000 0.907 82 E CB 0.710 30.396 29.700 -0.023 0.000 0.974 82 E HN 0.245 nan 8.360 nan 0.000 0.489 83 A N 0.317 123.118 122.820 -0.032 0.000 2.192 83 A HA 0.288 4.659 4.320 0.084 0.000 0.208 83 A C 0.689 178.249 177.584 -0.040 0.000 1.220 83 A CA 0.027 52.042 52.037 -0.037 0.000 0.900 83 A CB 0.574 19.549 19.000 -0.042 0.000 0.937 83 A HN 0.044 nan 8.150 nan 0.000 0.487 84 I N -0.300 120.246 120.570 -0.039 0.000 2.466 84 I HA 0.263 4.484 4.170 0.084 0.000 0.289 84 I C 0.624 176.720 176.117 -0.036 0.000 1.026 84 I CA -0.481 60.795 61.300 -0.040 0.000 1.078 84 I CB 2.267 40.241 38.000 -0.044 0.000 1.249 84 I HN 0.039 nan 8.210 nan 0.000 0.429 85 K N 2.010 122.390 120.400 -0.032 0.000 2.031 85 K HA -0.004 4.366 4.320 0.084 0.000 0.205 85 K C 1.039 177.621 176.600 -0.029 0.000 1.049 85 K CA 0.732 57.002 56.287 -0.028 0.000 0.939 85 K CB 0.074 32.559 32.500 -0.025 0.000 0.717 85 K HN 0.563 nan 8.250 nan 0.000 0.438 86 S N 1.728 117.410 115.700 -0.030 0.000 2.509 86 S HA -0.034 4.486 4.470 0.084 0.000 0.287 86 S C 0.970 175.550 174.600 -0.034 0.000 1.248 86 S CA -0.411 57.771 58.200 -0.029 0.000 1.089 86 S CB 0.402 63.585 63.200 -0.028 0.000 0.900 86 S HN 0.108 nan 8.310 nan 0.000 0.496 87 E N 3.982 124.163 120.200 -0.032 0.000 2.130 87 E HA -0.217 4.183 4.350 0.084 0.000 0.196 87 E C 1.710 178.287 176.600 -0.038 0.000 0.998 87 E CA 1.512 57.891 56.400 -0.036 0.000 0.806 87 E CB -0.216 29.466 29.700 -0.030 0.000 0.738 87 E HN 0.959 nan 8.360 nan 0.000 0.459 88 E N 0.576 120.757 120.200 -0.032 0.000 2.051 88 E HA -0.165 4.235 4.350 0.084 0.000 0.192 88 E C 2.247 178.826 176.600 -0.035 0.000 0.991 88 E CA 0.991 57.373 56.400 -0.030 0.000 0.799 88 E CB -0.091 29.595 29.700 -0.024 0.000 0.748 88 E HN 0.204 nan 8.360 nan 0.000 0.449 89 I N 0.655 121.204 120.570 -0.035 0.000 2.226 89 I HA -0.264 3.956 4.170 0.084 0.000 0.245 89 I C 2.480 178.568 176.117 -0.049 0.000 1.100 89 I CA 1.150 62.428 61.300 -0.038 0.000 1.374 89 I CB -0.248 37.731 38.000 -0.035 0.000 1.057 89 I HN 0.056 nan 8.210 nan 0.000 0.413 90 K N 0.512 120.877 120.400 -0.058 0.000 2.074 90 K HA -0.273 4.097 4.320 0.084 0.000 0.209 90 K C 2.097 178.635 176.600 -0.103 0.000 1.048 90 K CA 1.877 58.115 56.287 -0.082 0.000 0.926 90 K CB -0.152 32.298 32.500 -0.084 0.000 0.713 90 K HN 0.132 nan 8.250 nan 0.000 0.444 91 E N 1.122 121.273 120.200 -0.082 0.000 2.152 91 E HA -0.185 4.216 4.350 0.084 0.000 0.192 91 E C 1.769 178.332 176.600 -0.063 0.000 0.983 91 E CA 1.342 57.694 56.400 -0.079 0.000 0.818 91 E CB 0.062 29.729 29.700 -0.055 0.000 0.758 91 E HN 0.299 nan 8.360 nan 0.000 0.467 92 E N -0.595 119.576 120.200 -0.049 0.000 2.047 92 E HA -0.132 4.268 4.350 0.084 0.000 0.191 92 E C 1.919 178.498 176.600 -0.035 0.000 0.987 92 E CA 1.482 57.861 56.400 -0.035 0.000 0.799 92 E CB 0.103 29.786 29.700 -0.029 0.000 0.752 92 E HN 0.199 nan 8.360 nan 0.000 0.449 93 V N 1.485 121.371 119.914 -0.046 0.000 2.515 93 V HA -0.206 3.965 4.120 0.084 0.000 0.250 93 V C 2.452 178.516 176.094 -0.050 0.000 1.058 93 V CA 1.845 64.121 62.300 -0.039 0.000 1.064 93 V CB -0.493 31.305 31.823 -0.040 0.000 0.675 93 V HN 0.253 nan 8.190 nan 0.000 0.461 94 K N 0.491 120.829 120.400 -0.102 0.000 2.097 94 K HA -0.209 4.161 4.320 0.084 0.000 0.206 94 K C 2.208 178.781 176.600 -0.046 0.000 1.049 94 K CA 1.511 57.704 56.287 -0.158 0.000 0.933 94 K CB -0.083 32.231 32.500 -0.310 0.000 0.717 94 K HN 0.377 nan 8.250 nan 0.000 0.442 95 K N 0.441 120.823 120.400 -0.029 0.000 2.147 95 K HA -0.071 4.299 4.320 0.084 0.000 0.205 95 K C 2.045 178.659 176.600 0.024 0.000 1.049 95 K CA 1.322 57.613 56.287 0.006 0.000 0.936 95 K CB -0.044 32.456 32.500 0.000 0.000 0.722 95 K HN 0.196 nan 8.250 nan 0.000 0.446 96 I N 0.363 120.943 120.570 0.016 0.000 2.202 96 I HA -0.262 3.959 4.170 0.084 0.000 0.242 96 I C 2.001 178.145 176.117 0.045 0.000 1.091 96 I CA 0.932 62.249 61.300 0.027 0.000 1.368 96 I CB -0.212 37.798 38.000 0.017 0.000 1.058 96 I HN 0.042 nan 8.210 nan 0.000 0.410 97 I N 1.037 121.636 120.570 0.048 0.000 2.208 97 I HA -0.322 3.899 4.170 0.084 0.000 0.245 97 I C 2.073 178.245 176.117 0.092 0.000 1.097 97 I CA 1.734 63.076 61.300 0.071 0.000 1.363 97 I CB -0.563 37.506 38.000 0.114 0.000 1.051 97 I HN 0.184 nan 8.210 nan 0.000 0.413 98 D N -0.187 120.281 120.400 0.113 0.000 2.144 98 D HA -0.133 4.557 4.640 0.084 0.000 0.199 98 D C 2.425 178.766 176.300 0.068 0.000 0.984 98 D CA 1.366 55.427 54.000 0.103 0.000 0.834 98 D CB -0.176 40.689 40.800 0.109 0.000 0.955 98 D HN 0.218 nan 8.370 nan 0.000 0.465 99 S N 0.251 115.993 115.700 0.069 0.000 2.382 99 S HA -0.102 4.418 4.470 0.084 0.000 0.228 99 S C 1.907 176.574 174.600 0.111 0.000 1.027 99 S CA 0.735 58.981 58.200 0.077 0.000 0.991 99 S CB 0.164 63.407 63.200 0.071 0.000 0.823 99 S HN 0.181 nan 8.310 nan 0.000 0.469 100 R N 1.243 121.819 120.500 0.127 0.000 2.062 100 R HA 0.103 4.494 4.340 0.084 0.000 0.231 100 R C 2.217 178.578 176.300 0.102 0.000 1.136 100 R CA 0.845 57.087 56.100 0.236 0.000 0.948 100 R CB -1.139 29.299 30.300 0.230 0.000 0.845 100 R HN 0.377 nan 8.270 nan 0.000 0.430 101 I N 1.441 122.007 120.570 -0.008 0.000 2.151 101 I HA -0.276 3.945 4.170 0.084 0.000 0.243 101 I C 2.169 178.223 176.117 -0.106 0.000 1.080 101 I CA 1.448 62.683 61.300 -0.107 0.000 1.339 101 I CB -0.982 36.975 38.000 -0.072 0.000 1.039 101 I HN 0.288 nan 8.210 nan 0.000 0.409 102 E N 0.722 120.907 120.200 -0.026 0.000 2.058 102 E HA -0.252 4.149 4.350 0.084 0.000 0.194 102 E C 2.098 178.699 176.600 0.001 0.000 0.997 102 E CA 1.579 57.975 56.400 -0.006 0.000 0.801 102 E CB -0.076 29.642 29.700 0.030 0.000 0.746 102 E HN 0.578 nan 8.360 nan 0.000 0.450 103 E N 0.679 120.919 120.200 0.067 0.000 2.110 103 E HA -0.160 4.240 4.350 0.084 0.000 0.193 103 E C 2.248 178.856 176.600 0.013 0.000 0.988 103 E CA 0.526 57.040 56.400 0.189 0.000 0.804 103 E CB -0.056 29.922 29.700 0.463 0.000 0.745 103 E HN 0.220 nan 8.360 nan 0.000 0.458 104 L N 1.018 121.937 121.223 -0.507 0.000 2.027 104 L HA -0.213 4.178 4.340 0.084 0.000 0.206 104 L C 2.512 179.189 176.870 -0.321 0.000 1.074 104 L CA 1.570 55.860 54.840 -0.916 0.000 0.745 104 L CB -0.186 41.181 42.059 -1.152 0.000 0.898 104 L HN 0.193 nan 8.230 nan 0.000 0.433 105 E N 0.026 120.109 120.200 -0.195 0.000 2.077 105 E HA -0.308 4.092 4.350 0.084 0.000 0.193 105 E C 2.222 178.767 176.600 -0.092 0.000 0.989 105 E CA 1.431 57.767 56.400 -0.106 0.000 0.800 105 E CB 0.043 29.697 29.700 -0.076 0.000 0.746 105 E HN 0.304 nan 8.360 nan 0.000 0.452 106 K N 0.071 120.435 120.400 -0.060 0.000 2.026 106 K HA -0.150 4.220 4.320 0.084 0.000 0.208 106 K C 2.007 178.582 176.600 -0.041 0.000 1.048 106 K CA 1.548 57.808 56.287 -0.044 0.000 0.929 106 K CB 0.016 32.521 32.500 0.008 0.000 0.713 106 K HN 0.049 nan 8.250 nan 0.000 0.439 107 V N 1.669 121.595 119.914 0.020 0.000 2.343 107 V HA -0.246 3.924 4.120 0.084 0.000 0.247 107 V C 2.324 178.403 176.094 -0.025 0.000 1.051 107 V CA 1.555 63.883 62.300 0.046 0.000 1.036 107 V CB -0.383 31.570 31.823 0.217 0.000 0.654 107 V HN 0.312 nan 8.190 nan 0.000 0.451 108 L N -0.834 120.352 121.223 -0.062 0.000 2.109 108 L HA -0.092 4.298 4.340 0.084 0.000 0.207 108 L C 2.351 179.148 176.870 -0.121 0.000 1.086 108 L CA 1.409 56.196 54.840 -0.089 0.000 0.760 108 L CB -0.369 41.628 42.059 -0.103 0.000 0.910 108 L HN 0.255 nan 8.230 nan 0.000 0.437 109 I N -0.321 120.146 120.570 -0.173 0.000 2.179 109 I HA -0.206 4.014 4.170 0.084 0.000 0.242 109 I C 2.636 178.537 176.117 -0.360 0.000 1.088 109 I CA 1.425 62.527 61.300 -0.330 0.000 1.357 109 I CB -0.900 36.850 38.000 -0.416 0.000 1.051 109 I HN 0.273 nan 8.210 nan 0.000 0.409 110 G N 0.642 109.314 108.800 -0.214 0.000 2.440 110 G HA2 -0.215 3.796 3.960 0.084 0.000 0.218 110 G HA3 -0.215 3.796 3.960 0.084 0.000 0.218 110 G C 1.723 176.603 174.900 -0.034 0.000 1.154 110 G CA 0.971 46.009 45.100 -0.103 0.000 0.767 110 G HN 0.246 nan 8.290 nan 0.000 0.552 111 V N 1.338 121.225 119.914 -0.044 0.000 2.392 111 V HA -0.139 4.032 4.120 0.084 0.000 0.249 111 V C 3.268 179.366 176.094 0.006 0.000 1.059 111 V CA 2.128 64.416 62.300 -0.021 0.000 1.051 111 V CB -0.698 31.105 31.823 -0.033 0.000 0.658 111 V HN 0.505 nan 8.190 nan 0.000 0.455 112 A N -1.370 121.452 122.820 0.003 0.000 1.897 112 A HA -0.143 4.227 4.320 0.084 0.000 0.215 112 A C 2.120 179.821 177.584 0.194 0.000 1.181 112 A CA 1.303 53.376 52.037 0.061 0.000 0.620 112 A CB -0.660 18.359 19.000 0.032 0.000 0.821 112 A HN 0.492 nan 8.150 nan 0.000 0.443 113 Y N -0.767 119.523 120.300 -0.017 0.000 2.165 113 Y HA -0.145 4.456 4.550 0.085 0.000 0.286 113 Y C 2.249 178.138 175.900 -0.017 0.000 1.155 113 Y CA 1.132 59.223 58.100 -0.015 0.000 1.164 113 Y CB -0.872 37.580 38.460 -0.013 0.000 0.978 113 Y HN 0.287 nan 8.280 nan 0.000 0.513 114 L N -0.623 120.693 121.223 0.154 0.000 2.131 114 L HA 0.135 4.525 4.340 0.084 0.000 0.206 114 L C 1.802 178.694 176.870 0.038 0.000 1.087 114 L CA 1.771 56.652 54.840 0.068 0.000 0.767 114 L CB -0.786 41.296 42.059 0.038 0.000 0.917 114 L HN 0.398 nan 8.230 nan 0.000 0.441 115 G N -0.174 108.649 108.800 0.039 0.000 2.147 115 G HA2 -0.313 3.698 3.960 0.084 0.000 0.244 115 G HA3 -0.313 3.698 3.960 0.084 0.000 0.244 115 G C 0.243 175.146 174.900 0.006 0.000 1.005 115 G CA 0.448 45.560 45.100 0.020 0.000 0.713 115 G HN 0.477 nan 8.290 nan 0.000 0.515 116 E N -0.861 119.340 120.200 0.001 0.000 2.278 116 E HA 0.579 4.979 4.350 0.084 0.000 0.272 116 E C -1.259 175.329 176.600 -0.021 0.000 0.890 116 E CA -1.057 55.336 56.400 -0.011 0.000 0.770 116 E CB 1.268 30.960 29.700 -0.014 0.000 1.212 116 E HN 0.408 nan 8.360 nan 0.000 0.415 117 L N 4.994 126.204 121.223 -0.023 0.000 2.337 117 L HA 0.398 4.788 4.340 0.084 0.000 0.269 117 L C -0.308 176.541 176.870 -0.036 0.000 1.018 117 L CA -0.145 54.677 54.840 -0.030 0.000 0.876 117 L CB 1.154 43.200 42.059 -0.022 0.000 1.236 117 L HN 0.640 nan 8.230 nan 0.000 0.436 118 T N 1.803 116.320 114.554 -0.062 0.000 2.828 118 T HA 0.378 4.778 4.350 0.084 0.000 0.290 118 T C -1.748 172.901 174.700 -0.085 0.000 1.019 118 T CA -1.367 60.688 62.100 -0.074 0.000 1.031 118 T CB 0.816 69.614 68.868 -0.117 0.000 1.001 118 T HN 0.414 nan 8.240 nan 0.000 0.531 119 P HA -0.096 nan 4.420 nan 0.000 0.216 119 P C 1.487 178.667 177.300 -0.201 0.000 1.150 119 P CA 1.127 64.221 63.100 -0.011 0.000 0.843 119 P CB 0.063 31.837 31.700 0.123 0.000 0.787 120 K N -0.473 119.572 120.400 -0.591 0.000 2.057 120 K HA -0.099 4.271 4.320 0.084 0.000 0.207 120 K C 2.077 178.354 176.600 -0.539 0.000 1.049 120 K CA 1.710 57.254 56.287 -1.238 0.000 0.931 120 K CB -0.356 31.388 32.500 -1.260 0.000 0.714 120 K HN -0.021 nan 8.250 nan 0.000 0.440 121 S N 0.412 115.934 115.700 -0.297 0.000 2.387 121 S HA -0.071 4.449 4.470 0.084 0.000 0.226 121 S C 1.833 176.435 174.600 0.004 0.000 1.026 121 S CA 0.811 58.944 58.200 -0.111 0.000 0.972 121 S CB -0.181 62.965 63.200 -0.089 0.000 0.814 121 S HN 0.340 nan 8.310 nan 0.000 0.477 122 R N 1.115 121.602 120.500 -0.021 0.000 2.073 122 R HA -0.130 4.260 4.340 0.084 0.000 0.234 122 R C 1.482 177.826 176.300 0.073 0.000 1.134 122 R CA 1.734 57.855 56.100 0.035 0.000 0.952 122 R CB -0.312 30.009 30.300 0.034 0.000 0.850 122 R HN 0.221 nan 8.270 nan 0.000 0.433 123 D N -0.742 119.691 120.400 0.054 0.000 2.144 123 D HA -0.180 4.510 4.640 0.084 0.000 0.199 123 D C 1.495 177.851 176.300 0.093 0.000 0.984 123 D CA 0.980 55.029 54.000 0.081 0.000 0.834 123 D CB -0.211 40.694 40.800 0.174 0.000 0.955 123 D HN 0.261 nan 8.370 nan 0.000 0.465 124 Y N 1.006 121.296 120.300 -0.017 0.000 2.163 124 Y HA -0.085 4.517 4.550 0.087 0.000 0.288 124 Y C 2.159 178.152 175.900 0.155 0.000 1.136 124 Y CA 1.133 59.236 58.100 0.004 0.000 1.147 124 Y CB -0.370 38.090 38.460 0.001 0.000 0.987 124 Y HN -0.091 nan 8.280 nan 0.000 0.509 125 I N -0.219 120.503 120.570 0.254 0.000 2.127 125 I HA -0.380 3.840 4.170 0.084 0.000 0.241 125 I C 2.346 178.633 176.117 0.282 0.000 1.075 125 I CA 1.566 63.039 61.300 0.288 0.000 1.334 125 I CB -0.577 37.511 38.000 0.147 0.000 1.040 125 I HN 0.246 nan 8.210 nan 0.000 0.405 126 L N 0.466 121.806 121.223 0.196 0.000 2.131 126 L HA -0.195 4.196 4.340 0.084 0.000 0.210 126 L C 2.796 179.827 176.870 0.267 0.000 1.092 126 L CA 1.713 56.706 54.840 0.255 0.000 0.759 126 L CB -0.842 41.396 42.059 0.298 0.000 0.903 126 L HN 0.422 nan 8.230 nan 0.000 0.435 127 S N -0.268 115.475 115.700 0.070 0.000 2.442 127 S HA -0.177 4.343 4.470 0.084 0.000 0.236 127 S C 1.780 176.325 174.600 -0.092 0.000 1.007 127 S CA 0.824 58.992 58.200 -0.053 0.000 0.965 127 S CB -0.788 62.251 63.200 -0.270 0.000 0.773 127 S HN 0.301 nan 8.310 nan 0.000 0.504 128 F N 2.847 122.773 119.950 -0.040 0.000 2.250 128 F HA 0.087 4.663 4.527 0.081 0.000 0.301 128 F C 2.666 178.473 175.800 0.012 0.000 1.077 128 F CA 0.698 58.667 58.000 -0.051 0.000 1.348 128 F CB -1.035 37.925 39.000 -0.066 0.000 1.040 128 F HN 0.378 nan 8.300 nan 0.000 0.509 129 G N -0.252 108.694 108.800 0.244 0.000 2.459 129 G HA2 -0.262 3.748 3.960 0.084 0.000 0.217 129 G HA3 -0.262 3.748 3.960 0.084 0.000 0.217 129 G C 1.505 176.507 174.900 0.170 0.000 1.183 129 G CA 0.917 46.147 45.100 0.216 0.000 0.776 129 G HN 0.255 nan 8.290 nan 0.000 0.552 130 E N 0.135 120.432 120.200 0.160 0.000 2.150 130 E HA 0.039 4.439 4.350 0.084 0.000 0.193 130 E C 2.646 179.290 176.600 0.072 0.000 0.985 130 E CA 0.476 56.953 56.400 0.128 0.000 0.814 130 E CB -0.074 29.722 29.700 0.161 0.000 0.752 130 E HN 0.359 nan 8.360 nan 0.000 0.466 131 R N -0.360 120.156 120.500 0.027 0.000 2.276 131 R HA 0.080 4.470 4.340 0.084 0.000 0.203 131 R C 1.704 178.007 176.300 0.005 0.000 1.017 131 R CA 0.493 56.580 56.100 -0.021 0.000 1.010 131 R CB 0.053 30.268 30.300 -0.141 0.000 0.900 131 R HN 0.174 nan 8.270 nan 0.000 0.469 132 L N -0.623 120.602 121.223 0.005 0.000 2.316 132 L HA 0.012 4.402 4.340 0.084 0.000 0.207 132 L C 2.328 179.230 176.870 0.053 0.000 1.070 132 L CA 0.753 55.539 54.840 -0.090 0.000 0.820 132 L CB -0.081 41.691 42.059 -0.479 0.000 0.992 132 L HN 0.181 nan 8.230 nan 0.000 0.466 133 S N -0.907 114.879 115.700 0.143 0.000 2.414 133 S HA -0.128 4.392 4.470 0.084 0.000 0.227 133 S C 2.169 176.825 174.600 0.093 0.000 1.022 133 S CA 0.820 59.126 58.200 0.178 0.000 0.958 133 S CB -0.363 62.942 63.200 0.175 0.000 0.797 133 S HN 0.443 nan 8.310 nan 0.000 0.493 134 S N 3.279 119.020 115.700 0.069 0.000 2.382 134 S HA 0.051 4.572 4.470 0.084 0.000 0.228 134 S C -0.353 174.262 174.600 0.025 0.000 1.027 134 S CA 0.895 59.121 58.200 0.044 0.000 0.991 134 S CB -1.677 61.548 63.200 0.042 0.000 0.823 134 S HN 0.570 nan 8.310 nan 0.000 0.469 135 P HA 0.179 nan 4.420 nan 0.000 0.231 135 P C 1.399 178.705 177.300 0.009 0.000 1.168 135 P CA 0.526 63.634 63.100 0.013 0.000 0.779 135 P CB -0.194 31.515 31.700 0.015 0.000 0.844 136 I N -0.764 119.821 120.570 0.025 0.000 2.286 136 I HA -0.166 4.054 4.170 0.084 0.000 0.245 136 I C 2.372 178.478 176.117 -0.018 0.000 1.104 136 I CA 0.759 62.066 61.300 0.012 0.000 1.397 136 I CB -0.709 37.317 38.000 0.045 0.000 1.072 136 I HN -0.094 nan 8.210 nan 0.000 0.417 137 L N 0.326 121.535 121.223 -0.023 0.000 2.046 137 L HA -0.172 4.218 4.340 0.084 0.000 0.208 137 L C 2.607 179.440 176.870 -0.062 0.000 1.077 137 L CA 1.894 56.696 54.840 -0.064 0.000 0.747 137 L CB -0.798 41.217 42.059 -0.075 0.000 0.896 137 L HN 0.149 nan 8.230 nan 0.000 0.432 138 S N -0.564 115.115 115.700 -0.035 0.000 2.368 138 S HA -0.132 4.388 4.470 0.084 0.000 0.225 138 S C 2.039 176.618 174.600 -0.035 0.000 1.030 138 S CA 1.286 59.468 58.200 -0.031 0.000 0.999 138 S CB -0.869 62.322 63.200 -0.015 0.000 0.844 138 S HN 0.668 nan 8.310 nan 0.000 0.459 139 G N 0.363 109.143 108.800 -0.032 0.000 2.432 139 G HA2 0.020 4.031 3.960 0.084 0.000 0.219 139 G HA3 0.020 4.031 3.960 0.084 0.000 0.219 139 G C 1.587 176.460 174.900 -0.044 0.000 1.135 139 G CA 0.866 45.945 45.100 -0.035 0.000 0.767 139 G HN 0.669 nan 8.290 nan 0.000 0.550 140 A N 0.582 123.369 122.820 -0.054 0.000 1.968 140 A HA 0.176 4.546 4.320 0.084 0.000 0.217 140 A C 2.332 179.872 177.584 -0.073 0.000 1.169 140 A CA 0.848 52.846 52.037 -0.065 0.000 0.638 140 A CB -0.240 18.712 19.000 -0.079 0.000 0.812 140 A HN 0.368 nan 8.150 nan 0.000 0.446 141 I N -1.000 119.525 120.570 -0.076 0.000 2.315 141 I HA -0.230 3.990 4.170 0.084 0.000 0.248 141 I C 2.719 178.804 176.117 -0.054 0.000 1.117 141 I CA 1.161 62.416 61.300 -0.074 0.000 1.404 141 I CB -0.272 37.685 38.000 -0.072 0.000 1.071 141 I HN 0.267 nan 8.210 nan 0.000 0.419 142 R N 0.326 120.799 120.500 -0.044 0.000 2.115 142 R HA -0.169 4.222 4.340 0.084 0.000 0.226 142 R C 1.775 178.053 176.300 -0.035 0.000 1.100 142 R CA 1.419 57.498 56.100 -0.035 0.000 0.980 142 R CB -0.272 30.010 30.300 -0.030 0.000 0.875 142 R HN 0.255 nan 8.270 nan 0.000 0.445 143 D N 0.320 120.695 120.400 -0.040 0.000 2.310 143 D HA -0.076 4.614 4.640 0.084 0.000 0.212 143 D C 1.118 177.394 176.300 -0.039 0.000 0.965 143 D CA 0.742 54.719 54.000 -0.038 0.000 0.879 143 D CB 0.216 40.991 40.800 -0.041 0.000 0.921 143 D HN 0.138 nan 8.370 nan 0.000 0.510 144 L N -1.411 119.785 121.223 -0.045 0.000 2.628 144 L HA 0.343 4.733 4.340 0.084 0.000 0.229 144 L C 1.495 178.342 176.870 -0.037 0.000 1.137 144 L CA 0.325 55.139 54.840 -0.044 0.000 0.909 144 L CB 0.297 42.320 42.059 -0.059 0.000 1.137 144 L HN 0.229 nan 8.230 nan 0.000 0.470 145 G N -0.050 108.730 108.800 -0.033 0.000 2.176 145 G HA2 -0.241 3.769 3.960 0.084 0.000 0.232 145 G HA3 -0.241 3.769 3.960 0.084 0.000 0.232 145 G C 0.012 174.898 174.900 -0.025 0.000 0.986 145 G CA -0.277 44.807 45.100 -0.026 0.000 0.643 145 G HN 0.326 nan 8.290 nan 0.000 0.522 146 E N 0.709 120.892 120.200 -0.029 0.000 2.214 146 E HA 0.631 5.031 4.350 0.084 0.000 0.274 146 E C 0.363 176.948 176.600 -0.024 0.000 0.977 146 E CA -0.682 55.702 56.400 -0.026 0.000 0.827 146 E CB 0.642 30.324 29.700 -0.031 0.000 1.130 146 E HN 0.261 nan 8.360 nan 0.000 0.394 147 K N 1.369 121.758 120.400 -0.018 0.000 2.412 147 K HA 0.317 4.687 4.320 0.084 0.000 0.281 147 K C -0.566 176.025 176.600 -0.016 0.000 1.027 147 K CA 0.187 56.464 56.287 -0.015 0.000 0.989 147 K CB 0.809 33.302 32.500 -0.011 0.000 0.935 147 K HN 0.268 nan 8.250 nan 0.000 0.475 148 S N 2.812 118.502 115.700 -0.015 0.000 2.535 148 S HA 0.579 5.099 4.470 0.084 0.000 0.272 148 S C -1.406 173.188 174.600 -0.011 0.000 1.149 148 S CA -0.934 57.257 58.200 -0.014 0.000 0.888 148 S CB 0.646 63.833 63.200 -0.022 0.000 1.110 148 S HN 0.569 nan 8.310 nan 0.000 0.463 149 I N 1.055 121.621 120.570 -0.006 0.000 2.828 149 I HA 0.945 5.165 4.170 0.084 0.000 0.302 149 I C -0.286 175.831 176.117 0.000 0.000 1.101 149 I CA -1.348 59.950 61.300 -0.004 0.000 1.031 149 I CB 1.925 39.924 38.000 -0.002 0.000 1.231 149 I HN 0.663 nan 8.210 nan 0.000 0.427 150 A N 6.243 129.064 122.820 0.001 0.000 2.328 150 A HA 0.770 5.140 4.320 0.084 0.000 0.284 150 A C -0.507 177.080 177.584 0.006 0.000 1.160 150 A CA -0.389 51.652 52.037 0.006 0.000 0.818 150 A CB 0.471 19.476 19.000 0.008 0.000 1.087 150 A HN 0.714 nan 8.150 nan 0.000 0.504 151 L N 1.748 122.975 121.223 0.008 0.000 2.323 151 L HA 0.459 4.850 4.340 0.084 0.000 0.265 151 L C 0.144 177.016 176.870 0.003 0.000 1.012 151 L CA -0.665 54.178 54.840 0.004 0.000 0.820 151 L CB 2.115 44.176 42.059 0.004 0.000 1.334 151 L HN 0.813 nan 8.230 nan 0.000 0.427 152 E N 0.043 120.240 120.200 -0.005 0.000 2.318 152 E HA 0.186 4.586 4.350 0.084 0.000 0.265 152 E C 0.797 177.390 176.600 -0.011 0.000 1.069 152 E CA 0.016 56.409 56.400 -0.012 0.000 0.893 152 E CB 1.361 31.047 29.700 -0.024 0.000 1.076 152 E HN 0.802 nan 8.360 nan 0.000 0.414 153 G N 1.506 110.297 108.800 -0.015 0.000 2.440 153 G HA2 -0.278 3.732 3.960 0.084 0.000 0.218 153 G HA3 -0.278 3.732 3.960 0.084 0.000 0.218 153 G C 1.292 176.172 174.900 -0.032 0.000 1.154 153 G CA 0.876 45.961 45.100 -0.025 0.000 0.767 153 G HN 0.639 nan 8.290 nan 0.000 0.552 154 G N 1.389 110.171 108.800 -0.030 0.000 2.433 154 G HA2 -0.182 3.829 3.960 0.084 0.000 0.216 154 G HA3 -0.182 3.829 3.960 0.084 0.000 0.216 154 G C 1.621 176.507 174.900 -0.023 0.000 1.186 154 G CA 1.250 46.333 45.100 -0.028 0.000 0.779 154 G HN 0.657 nan 8.290 nan 0.000 0.543 155 E N 0.440 120.630 120.200 -0.016 0.000 2.268 155 E HA 0.200 4.600 4.350 0.084 0.000 0.195 155 E C 2.205 178.798 176.600 -0.011 0.000 0.995 155 E CA 0.788 57.181 56.400 -0.012 0.000 0.836 155 E CB -0.180 29.516 29.700 -0.007 0.000 0.763 155 E HN 0.357 nan 8.360 nan 0.000 0.491 156 A N 0.868 123.680 122.820 -0.012 0.000 2.238 156 A HA 0.392 4.763 4.320 0.084 0.000 0.208 156 A C 1.779 179.354 177.584 -0.015 0.000 1.177 156 A CA 0.544 52.575 52.037 -0.010 0.000 0.804 156 A CB -0.228 18.768 19.000 -0.006 0.000 0.823 156 A HN 0.515 nan 8.150 nan 0.000 0.482 157 G N -1.081 107.706 108.800 -0.022 0.000 2.192 157 G HA2 -0.154 3.856 3.960 0.084 0.000 0.193 157 G HA3 -0.154 3.856 3.960 0.084 0.000 0.193 157 G C 0.037 174.915 174.900 -0.037 0.000 0.999 157 G CA -0.082 45.003 45.100 -0.024 0.000 0.659 157 G HN 0.388 nan 8.290 nan 0.000 0.503 158 I N 1.893 122.432 120.570 -0.052 0.000 2.294 158 I HA 0.402 4.622 4.170 0.084 0.000 0.295 158 I C 0.080 176.154 176.117 -0.071 0.000 1.098 158 I CA -0.476 60.778 61.300 -0.077 0.000 1.277 158 I CB 0.482 38.417 38.000 -0.107 0.000 1.434 158 I HN -0.015 nan 8.210 nan 0.000 0.498 159 I N 6.047 126.577 120.570 -0.067 0.000 2.359 159 I HA 0.356 4.577 4.170 0.084 0.000 0.294 159 I C 0.658 176.732 176.117 -0.071 0.000 0.987 159 I CA 0.008 61.270 61.300 -0.064 0.000 1.225 159 I CB 1.757 39.724 38.000 -0.055 0.000 1.366 159 I HN 0.533 nan 8.210 nan 0.000 0.466 160 T N 0.477 114.983 114.554 -0.079 0.000 2.926 160 T HA 0.591 4.992 4.350 0.084 0.000 0.289 160 T C -0.436 174.203 174.700 -0.102 0.000 1.054 160 T CA -0.985 61.063 62.100 -0.086 0.000 1.015 160 T CB 1.607 70.418 68.868 -0.095 0.000 1.167 160 T HN 0.534 nan 8.240 nan 0.000 0.526 161 D N 0.280 120.616 120.400 -0.107 0.000 2.380 161 D HA 0.123 4.814 4.640 0.084 0.000 0.254 161 D C 0.086 176.249 176.300 -0.228 0.000 1.288 161 D CA -0.569 53.354 54.000 -0.128 0.000 1.008 161 D CB -0.088 40.654 40.800 -0.097 0.000 1.099 161 D HN 0.696 nan 8.370 nan 0.000 0.537 162 N N -1.646 116.885 118.700 -0.282 0.000 2.453 162 N HA 0.072 4.862 4.740 0.084 0.000 0.270 162 N C -0.625 174.496 175.510 -0.648 0.000 1.195 162 N CA -0.638 52.043 53.050 -0.615 0.000 0.902 162 N CB -0.361 37.857 38.487 -0.449 0.000 1.186 162 N HN 0.258 nan 8.380 nan 0.000 0.510 163 N N 1.172 119.655 118.700 -0.361 0.000 2.895 163 N HA 0.074 4.865 4.740 0.084 0.000 0.277 163 N C -1.011 174.408 175.510 -0.153 0.000 1.185 163 N CA -0.509 52.431 53.050 -0.184 0.000 1.106 163 N CB -0.388 38.051 38.487 -0.081 0.000 1.422 163 N HN 0.131 nan 8.380 nan 0.000 0.521 164 F N 1.068 121.029 119.950 0.018 0.000 2.629 164 F HA 0.172 4.748 4.527 0.083 0.000 0.377 164 F C 2.032 177.837 175.800 0.010 0.000 1.101 164 F CA 1.357 59.362 58.000 0.009 0.000 1.301 164 F CB 0.228 39.233 39.000 0.010 0.000 1.062 164 F HN 0.528 nan 8.300 nan 0.000 0.583 165 G N 1.306 110.210 108.800 0.174 0.000 2.308 165 G HA2 -0.229 3.781 3.960 0.084 0.000 0.221 165 G HA3 -0.229 3.781 3.960 0.084 0.000 0.221 165 G C 0.186 175.135 174.900 0.082 0.000 1.032 165 G CA 0.059 45.227 45.100 0.114 0.000 0.623 165 G HN 1.398 nan 8.290 nan 0.000 0.506 166 S N -0.678 115.056 115.700 0.057 0.000 2.708 166 S HA 0.739 5.260 4.470 0.084 0.000 0.141 166 S C -0.160 174.449 174.600 0.015 0.000 1.349 166 S CA 0.786 59.017 58.200 0.051 0.000 1.206 166 S CB 0.623 63.860 63.200 0.061 0.000 1.603 166 S HN 1.988 nan 8.310 nan 0.000 0.415 167 A N 2.742 125.553 122.820 -0.016 0.000 2.363 167 A HA 0.681 5.051 4.320 0.084 0.000 0.270 167 A C 0.661 178.239 177.584 -0.010 0.000 1.121 167 A CA -0.835 51.166 52.037 -0.061 0.000 0.800 167 A CB 0.279 19.206 19.000 -0.123 0.000 1.052 167 A HN 0.899 nan 8.150 nan 0.000 0.493 168 R N 1.837 122.327 120.500 -0.018 0.000 2.390 168 R HA 0.468 4.858 4.340 0.084 0.000 0.291 168 R C -1.056 175.244 176.300 -0.001 0.000 1.070 168 R CA -0.639 55.472 56.100 0.017 0.000 1.014 168 R CB 0.502 30.806 30.300 0.006 0.000 1.007 168 R HN 0.252 nan 8.270 nan 0.000 0.466 169 V N 4.539 124.471 119.914 0.030 0.000 2.458 169 V HA -0.044 4.127 4.120 0.084 0.000 0.287 169 V C 1.146 177.218 176.094 -0.037 0.000 1.009 169 V CA 0.436 62.719 62.300 -0.028 0.000 1.091 169 V CB 0.443 32.227 31.823 -0.064 0.000 0.960 169 V HN 0.885 nan 8.190 nan 0.000 0.476 170 K N 3.507 123.878 120.400 -0.049 0.000 2.128 170 K HA 0.195 4.566 4.320 0.084 0.000 0.202 170 K C 0.972 177.547 176.600 -0.041 0.000 1.050 170 K CA 0.515 56.775 56.287 -0.044 0.000 0.966 170 K CB 0.392 32.864 32.500 -0.048 0.000 0.759 170 K HN 0.590 nan 8.250 nan 0.000 0.454 171 R N 0.152 120.624 120.500 -0.046 0.000 2.643 171 R HA 0.370 4.761 4.340 0.084 0.000 0.269 171 R C -1.901 174.378 176.300 -0.035 0.000 1.037 171 R CA -0.504 55.577 56.100 -0.033 0.000 0.894 171 R CB 1.187 31.469 30.300 -0.029 0.000 1.238 171 R HN -0.072 nan 8.270 nan 0.000 0.459 172 L N 2.929 124.145 121.223 -0.011 0.000 2.356 172 L HA 0.470 4.860 4.340 0.084 0.000 0.277 172 L C -0.178 176.697 176.870 0.008 0.000 0.996 172 L CA -0.395 54.445 54.840 -0.001 0.000 0.822 172 L CB 2.197 44.277 42.059 0.035 0.000 1.256 172 L HN 0.769 nan 8.230 nan 0.000 0.413 173 E N 1.900 122.098 120.200 -0.003 0.000 2.869 173 E HA 0.089 4.489 4.350 0.084 0.000 0.207 173 E C 0.945 177.545 176.600 -0.000 0.000 0.986 173 E CA -0.142 56.257 56.400 -0.002 0.000 1.131 173 E CB 1.065 30.759 29.700 -0.011 0.000 1.098 173 E HN 0.473 nan 8.360 nan 0.000 0.459 174 V N 1.042 120.960 119.914 0.007 0.000 2.270 174 V HA -0.266 3.904 4.120 0.084 0.000 0.245 174 V C 2.338 178.436 176.094 0.006 0.000 1.043 174 V CA 1.734 64.038 62.300 0.008 0.000 1.014 174 V CB -0.201 31.634 31.823 0.020 0.000 0.645 174 V HN 0.293 nan 8.190 nan 0.000 0.447 175 K N -0.237 120.167 120.400 0.007 0.000 2.103 175 K HA -0.257 4.114 4.320 0.084 0.000 0.207 175 K C 2.100 178.699 176.600 -0.002 0.000 1.048 175 K CA 1.956 58.243 56.287 -0.001 0.000 0.930 175 K CB -0.011 32.485 32.500 -0.007 0.000 0.716 175 K HN 0.514 nan 8.250 nan 0.000 0.444 176 E N -0.200 119.999 120.200 -0.002 0.000 2.072 176 E HA -0.104 4.296 4.350 0.084 0.000 0.190 176 E C 2.003 178.600 176.600 -0.004 0.000 0.982 176 E CA 1.080 57.477 56.400 -0.004 0.000 0.803 176 E CB 0.125 29.822 29.700 -0.005 0.000 0.755 176 E HN 0.219 nan 8.360 nan 0.000 0.453 177 R N -0.160 120.338 120.500 -0.004 0.000 2.156 177 R HA 0.167 4.558 4.340 0.084 0.000 0.207 177 R C 2.199 178.498 176.300 -0.002 0.000 1.040 177 R CA 0.540 56.637 56.100 -0.004 0.000 1.013 177 R CB -0.040 30.257 30.300 -0.005 0.000 0.931 177 R HN 0.224 nan 8.270 nan 0.000 0.465 178 L N 0.223 121.446 121.223 -0.000 0.000 2.253 178 L HA -0.007 4.384 4.340 0.084 0.000 0.205 178 L C 2.090 178.961 176.870 0.001 0.000 1.078 178 L CA 0.209 55.050 54.840 0.002 0.000 0.805 178 L CB -0.369 41.694 42.059 0.005 0.000 0.963 178 L HN 0.005 nan 8.230 nan 0.000 0.459 179 L N 0.736 121.959 121.223 -0.000 0.000 2.021 179 L HA -0.183 4.207 4.340 0.084 0.000 0.215 179 L C -0.255 176.614 176.870 -0.002 0.000 1.074 179 L CA 2.443 57.283 54.840 -0.001 0.000 0.760 179 L CB -1.862 40.195 42.059 -0.004 0.000 0.889 179 L HN 0.143 nan 8.230 nan 0.000 0.433 180 P HA -0.155 nan 4.420 nan 0.000 0.218 180 P C 1.903 179.203 177.300 -0.001 0.000 1.148 180 P CA 0.993 64.092 63.100 -0.002 0.000 0.822 180 P CB 0.079 31.777 31.700 -0.003 0.000 0.784 181 L N -1.442 119.781 121.223 -0.001 0.000 2.056 181 L HA -0.097 4.294 4.340 0.084 0.000 0.207 181 L C 2.323 179.193 176.870 0.001 0.000 1.078 181 L CA 1.671 56.511 54.840 0.000 0.000 0.749 181 L CB -1.431 40.629 42.059 0.001 0.000 0.901 181 L HN -0.074 nan 8.230 nan 0.000 0.433 182 L N -1.273 119.951 121.223 0.002 0.000 2.217 182 L HA -0.180 4.210 4.340 0.084 0.000 0.211 182 L C 2.423 179.294 176.870 0.001 0.000 1.107 182 L CA 0.818 55.659 54.840 0.002 0.000 0.783 182 L CB -0.470 41.592 42.059 0.004 0.000 0.919 182 L HN 0.215 nan 8.230 nan 0.000 0.442 183 K N 0.107 120.506 120.400 -0.000 0.000 2.209 183 K HA -0.132 4.238 4.320 0.084 0.000 0.204 183 K C 1.385 177.984 176.600 -0.002 0.000 1.048 183 K CA 0.947 57.234 56.287 -0.001 0.000 0.940 183 K CB 0.213 32.711 32.500 -0.002 0.000 0.729 183 K HN 0.263 nan 8.250 nan 0.000 0.451 184 E N -0.941 119.258 120.200 -0.002 0.000 2.465 184 E HA 0.056 4.456 4.350 0.084 0.000 0.191 184 E C 0.948 177.547 176.600 -0.003 0.000 1.053 184 E CA 0.595 56.994 56.400 -0.003 0.000 0.869 184 E CB 0.880 30.578 29.700 -0.003 0.000 0.977 184 E HN 0.468 nan 8.360 nan 0.000 0.483 185 G N 1.833 110.632 108.800 -0.002 0.000 2.179 185 G HA2 -0.307 3.703 3.960 0.084 0.000 0.260 185 G HA3 -0.307 3.703 3.960 0.084 0.000 0.260 185 G C 0.406 175.304 174.900 -0.003 0.000 0.977 185 G CA 0.176 45.275 45.100 -0.002 0.000 0.641 185 G HN 0.307 nan 8.290 nan 0.000 0.533 186 I N 1.230 121.799 120.570 -0.003 0.000 2.634 186 I HA 0.271 4.491 4.170 0.084 0.000 0.284 186 I C 0.954 177.071 176.117 -0.001 0.000 1.124 186 I CA -0.167 61.131 61.300 -0.003 0.000 1.417 186 I CB 0.797 38.795 38.000 -0.003 0.000 1.396 186 I HN 0.010 nan 8.210 nan 0.000 0.571 187 I N 8.130 128.699 120.570 -0.003 0.000 2.287 187 I HA 0.248 4.468 4.170 0.084 0.000 0.290 187 I C -2.231 173.888 176.117 0.004 0.000 1.069 187 I CA -1.900 59.401 61.300 0.002 0.000 1.237 187 I CB 0.387 38.385 38.000 -0.004 0.000 1.418 187 I HN 0.229 nan 8.210 nan 0.000 0.481 188 P HA 0.060 nan 4.420 nan 0.000 0.271 188 P C -0.551 176.762 177.300 0.021 0.000 1.216 188 P CA -0.071 63.036 63.100 0.013 0.000 0.771 188 P CB 0.807 32.516 31.700 0.014 0.000 0.864 189 V N 5.218 125.143 119.914 0.018 0.000 2.293 189 V HA 0.174 4.344 4.120 0.084 0.000 0.275 189 V C 0.145 176.259 176.094 0.032 0.000 1.021 189 V CA -0.535 61.783 62.300 0.029 0.000 0.815 189 V CB 1.449 33.281 31.823 0.015 0.000 1.025 189 V HN 0.239 nan 8.190 nan 0.000 0.448 190 V N 4.087 124.027 119.914 0.043 0.000 2.439 190 V HA 0.370 4.541 4.120 0.084 0.000 0.282 190 V C 0.806 176.930 176.094 0.051 0.000 1.039 190 V CA -0.601 61.721 62.300 0.037 0.000 0.913 190 V CB 1.974 33.815 31.823 0.030 0.000 0.983 190 V HN 0.954 nan 8.190 nan 0.000 0.460 191 T N 2.211 116.792 114.554 0.045 0.000 2.902 191 T HA 0.235 4.635 4.350 0.084 0.000 0.301 191 T C 1.371 176.121 174.700 0.084 0.000 1.012 191 T CA 0.144 62.284 62.100 0.067 0.000 1.151 191 T CB 1.200 70.097 68.868 0.050 0.000 0.946 191 T HN 0.846 nan 8.240 nan 0.000 0.542 192 G N 2.600 111.476 108.800 0.127 0.000 2.705 192 G HA2 -0.075 3.935 3.960 0.084 0.000 0.214 192 G HA3 -0.075 3.935 3.960 0.084 0.000 0.214 192 G C 0.684 175.709 174.900 0.209 0.000 1.321 192 G CA 0.622 45.811 45.100 0.149 0.000 0.826 192 G HN 0.953 nan 8.290 nan 0.000 0.595 193 F N 2.333 122.292 119.950 0.015 0.000 2.696 193 F HA 0.510 5.092 4.527 0.091 0.000 0.296 193 F C 0.185 175.990 175.800 0.009 0.000 1.181 193 F CA -2.569 55.436 58.000 0.008 0.000 1.411 193 F CB -0.904 38.109 39.000 0.021 0.000 1.014 193 F HN 0.172 nan 8.300 nan 0.000 0.512 194 I N -1.435 119.097 120.570 -0.063 0.000 2.646 194 I HA 1.005 5.225 4.170 0.084 0.000 0.299 194 I C 0.075 176.133 176.117 -0.098 0.000 1.036 194 I CA -1.055 60.143 61.300 -0.170 0.000 1.074 194 I CB 1.816 39.729 38.000 -0.146 0.000 1.258 194 I HN 0.068 nan 8.210 nan 0.000 0.430 195 G N 2.048 110.789 108.800 -0.098 0.000 3.176 195 G HA2 0.651 4.662 3.960 0.084 0.000 0.272 195 G HA3 0.651 4.662 3.960 0.084 0.000 0.272 195 G C -1.413 173.464 174.900 -0.038 0.000 1.349 195 G CA -0.644 44.413 45.100 -0.071 0.000 0.953 195 G HN 0.693 nan 8.290 nan 0.000 0.559 196 T N -0.847 113.685 114.554 -0.037 0.000 2.893 196 T HA 0.594 4.994 4.350 0.084 0.000 0.293 196 T C -0.025 174.652 174.700 -0.040 0.000 1.027 196 T CA -0.236 61.857 62.100 -0.013 0.000 0.988 196 T CB 1.486 70.344 68.868 -0.016 0.000 1.043 196 T HN 0.454 nan 8.240 nan 0.000 0.461 197 T N 2.498 117.037 114.554 -0.025 0.000 2.813 197 T HA 0.119 4.520 4.350 0.084 0.000 0.297 197 T C 1.342 175.968 174.700 -0.123 0.000 1.036 197 T CA -0.038 62.014 62.100 -0.079 0.000 1.044 197 T CB 0.759 69.612 68.868 -0.026 0.000 0.993 197 T HN 0.784 nan 8.240 nan 0.000 0.535 198 E N 0.817 120.941 120.200 -0.127 0.000 2.273 198 E HA -0.136 4.264 4.350 0.084 0.000 0.198 198 E C 1.551 178.047 176.600 -0.173 0.000 1.002 198 E CA 1.073 57.399 56.400 -0.122 0.000 0.828 198 E CB 0.176 29.817 29.700 -0.097 0.000 0.747 198 E HN 0.611 nan 8.360 nan 0.000 0.491 199 E N -1.650 118.370 120.200 -0.301 0.000 2.558 199 E HA 0.151 4.551 4.350 0.084 0.000 0.205 199 E C 0.863 177.176 176.600 -0.478 0.000 1.006 199 E CA 0.491 56.642 56.400 -0.416 0.000 0.961 199 E CB 0.586 29.964 29.700 -0.537 0.000 1.044 199 E HN 0.199 nan 8.360 nan 0.000 0.465 200 G N 1.252 109.873 108.800 -0.299 0.000 2.141 200 G HA2 -0.278 3.733 3.960 0.084 0.000 0.242 200 G HA3 -0.278 3.733 3.960 0.084 0.000 0.242 200 G C -0.397 174.513 174.900 0.016 0.000 0.982 200 G CA 0.006 45.029 45.100 -0.129 0.000 0.662 200 G HN 0.224 nan 8.290 nan 0.000 0.527 201 Y N 0.399 120.745 120.300 0.077 0.000 2.402 201 Y HA 0.538 5.138 4.550 0.084 0.000 0.333 201 Y C 1.495 177.498 175.900 0.171 0.000 1.076 201 Y CA -1.774 56.412 58.100 0.144 0.000 1.299 201 Y CB 0.284 38.914 38.460 0.284 0.000 1.197 201 Y HN 0.177 nan 8.280 nan 0.000 0.517 202 I N 2.882 123.656 120.570 0.339 0.000 2.556 202 I HA 0.077 4.297 4.170 0.084 0.000 0.284 202 I C 0.657 176.943 176.117 0.281 0.000 1.114 202 I CA 0.621 62.057 61.300 0.226 0.000 1.418 202 I CB 0.609 38.720 38.000 0.186 0.000 1.394 202 I HN 0.591 nan 8.210 nan 0.000 0.552 203 T N 4.131 118.771 114.554 0.144 0.000 2.906 203 T HA 0.534 4.934 4.350 0.084 0.000 0.295 203 T C -0.376 174.274 174.700 -0.083 0.000 1.061 203 T CA -0.528 61.645 62.100 0.121 0.000 1.000 203 T CB 1.404 70.273 68.868 0.002 0.000 1.103 203 T HN 0.745 nan 8.240 nan 0.000 0.486 204 T N 1.107 115.572 114.554 -0.148 0.000 2.940 204 T HA 0.595 4.995 4.350 0.084 0.000 0.288 204 T C 0.762 175.323 174.700 -0.232 0.000 1.033 204 T CA -0.886 60.947 62.100 -0.444 0.000 1.033 204 T CB 0.943 69.367 68.868 -0.741 0.000 1.079 204 T HN 0.435 nan 8.240 nan 0.000 0.496 205 L N 1.053 122.153 121.223 -0.205 0.000 2.700 205 L HA 0.500 4.890 4.340 0.084 0.000 0.234 205 L C 1.231 178.173 176.870 0.120 0.000 1.156 205 L CA -0.196 54.662 54.840 0.029 0.000 0.946 205 L CB -0.664 41.462 42.059 0.112 0.000 1.216 205 L HN 1.236 nan 8.230 nan 0.000 0.493 206 G N 0.437 109.343 108.800 0.177 0.000 2.712 206 G HA2 -0.141 3.869 3.960 0.084 0.000 0.686 206 G HA3 -0.141 3.869 3.960 0.084 0.000 0.686 206 G C -0.666 174.478 174.900 0.405 0.000 1.181 206 G CA -1.159 44.102 45.100 0.267 0.000 0.762 206 G HN 0.029 nan 8.290 nan 0.000 0.641 207 R N 0.598 121.296 120.500 0.331 0.000 2.537 207 R HA 0.410 4.801 4.340 0.084 0.000 0.281 207 R C 1.764 178.199 176.300 0.225 0.000 0.988 207 R CA 1.122 57.350 56.100 0.213 0.000 1.077 207 R CB -0.042 30.337 30.300 0.132 0.000 0.932 207 R HN 2.481 nan 8.270 nan 0.000 0.409 208 G N 1.447 110.301 108.800 0.090 0.000 2.176 208 G HA2 -0.291 3.719 3.960 0.084 0.000 0.253 208 G HA3 -0.291 3.719 3.960 0.084 0.000 0.253 208 G C 1.021 175.968 174.900 0.078 0.000 0.979 208 G CA 0.496 45.684 45.100 0.147 0.000 0.641 208 G HN 0.752 nan 8.290 nan 0.000 0.530 209 G N 0.463 109.285 108.800 0.036 0.000 2.535 209 G HA2 0.122 4.132 3.960 0.084 0.000 0.218 209 G HA3 0.122 4.132 3.960 0.084 0.000 0.218 209 G C 1.723 176.692 174.900 0.115 0.000 1.122 209 G CA 1.885 46.966 45.100 -0.031 0.000 0.769 209 G HN 0.742 nan 8.290 nan 0.000 0.549 210 S N 0.775 116.554 115.700 0.132 0.000 2.400 210 S HA -0.101 4.419 4.470 0.084 0.000 0.232 210 S C 1.950 176.609 174.600 0.099 0.000 1.025 210 S CA 1.251 59.522 58.200 0.119 0.000 0.993 210 S CB -0.142 63.112 63.200 0.089 0.000 0.808 210 S HN 0.413 nan 8.310 nan 0.000 0.478 211 D N 0.040 120.505 120.400 0.108 0.000 2.144 211 D HA -0.078 4.612 4.640 0.084 0.000 0.200 211 D C 1.596 177.994 176.300 0.164 0.000 0.978 211 D CA 0.836 54.912 54.000 0.126 0.000 0.833 211 D CB -0.337 40.556 40.800 0.156 0.000 0.961 211 D HN 0.417 nan 8.370 nan 0.000 0.470 212 Y N 2.176 122.466 120.300 -0.018 0.000 2.181 212 Y HA -0.170 4.429 4.550 0.082 0.000 0.288 212 Y C 2.314 178.205 175.900 -0.014 0.000 1.146 212 Y CA 0.900 58.979 58.100 -0.034 0.000 1.164 212 Y CB -0.454 37.911 38.460 -0.158 0.000 0.982 212 Y HN -0.155 nan 8.280 nan 0.000 0.515 213 S N 0.490 116.151 115.700 -0.065 0.000 2.370 213 S HA -0.232 4.288 4.470 0.084 0.000 0.226 213 S C 2.335 176.901 174.600 -0.057 0.000 1.033 213 S CA 1.212 59.338 58.200 -0.123 0.000 1.011 213 S CB -0.855 62.330 63.200 -0.027 0.000 0.852 213 S HN 0.614 nan 8.310 nan 0.000 0.457 214 A N 1.683 124.511 122.820 0.013 0.000 1.877 214 A HA 0.125 4.495 4.320 0.084 0.000 0.216 214 A C 2.399 180.008 177.584 0.041 0.000 1.186 214 A CA 1.702 53.760 52.037 0.036 0.000 0.620 214 A CB -1.170 17.862 19.000 0.053 0.000 0.822 214 A HN 0.526 nan 8.150 nan 0.000 0.443 215 A N -0.345 122.512 122.820 0.060 0.000 1.902 215 A HA -0.040 4.330 4.320 0.084 0.000 0.217 215 A C 2.182 179.795 177.584 0.048 0.000 1.181 215 A CA 1.498 53.587 52.037 0.086 0.000 0.623 215 A CB -0.595 18.495 19.000 0.150 0.000 0.818 215 A HN 0.474 nan 8.150 nan 0.000 0.443 216 L N -0.815 120.363 121.223 -0.075 0.000 2.046 216 L HA -0.158 4.233 4.340 0.084 0.000 0.208 216 L C 2.453 179.320 176.870 -0.005 0.000 1.077 216 L CA 1.272 56.030 54.840 -0.136 0.000 0.747 216 L CB -0.423 41.427 42.059 -0.349 0.000 0.896 216 L HN 0.372 nan 8.230 nan 0.000 0.432 217 I N -0.576 119.990 120.570 -0.006 0.000 2.353 217 I HA -0.151 4.069 4.170 0.084 0.000 0.248 217 I C 2.567 178.717 176.117 0.055 0.000 1.119 217 I CA 1.165 62.479 61.300 0.023 0.000 1.417 217 I CB -0.644 37.364 38.000 0.013 0.000 1.078 217 I HN 0.240 nan 8.210 nan 0.000 0.421 218 G N 0.064 108.905 108.800 0.069 0.000 2.421 218 G HA2 -0.329 3.681 3.960 0.084 0.000 0.216 218 G HA3 -0.329 3.681 3.960 0.084 0.000 0.216 218 G C 1.628 176.583 174.900 0.093 0.000 1.171 218 G CA 0.706 45.851 45.100 0.074 0.000 0.775 218 G HN 0.371 nan 8.290 nan 0.000 0.543 219 Y N 1.716 122.011 120.300 -0.009 0.000 2.081 219 Y HA -0.146 4.455 4.550 0.084 0.000 0.280 219 Y C 2.825 178.714 175.900 -0.017 0.000 1.163 219 Y CA 2.140 60.231 58.100 -0.015 0.000 1.135 219 Y CB -0.498 37.950 38.460 -0.021 0.000 0.970 219 Y HN 0.135 nan 8.280 nan 0.000 0.498 220 G N -0.128 108.802 108.800 0.217 0.000 2.432 220 G HA2 -0.203 3.808 3.960 0.084 0.000 0.219 220 G HA3 -0.203 3.808 3.960 0.084 0.000 0.219 220 G C 1.464 176.364 174.900 -0.000 0.000 1.135 220 G CA 1.044 46.210 45.100 0.110 0.000 0.767 220 G HN 0.464 nan 8.290 nan 0.000 0.550 221 L N 0.002 121.226 121.223 0.002 0.000 2.591 221 L HA 0.141 4.531 4.340 0.084 0.000 0.228 221 L C 0.348 177.195 176.870 -0.037 0.000 1.133 221 L CA -0.006 54.826 54.840 -0.012 0.000 0.880 221 L CB -0.049 42.014 42.059 0.007 0.000 1.033 221 L HN 0.098 nan 8.230 nan 0.000 0.450 222 D N 0.775 121.130 120.400 -0.076 0.000 2.689 222 D HA -0.168 4.523 4.640 0.084 0.000 0.237 222 D C 0.597 176.874 176.300 -0.038 0.000 1.148 222 D CA 0.830 54.777 54.000 -0.088 0.000 0.656 222 D CB -0.656 40.090 40.800 -0.090 0.000 1.050 222 D HN 0.357 nan 8.370 nan 0.000 0.426 223 A N 0.319 123.130 122.820 -0.014 0.000 2.492 223 A HA 0.065 4.435 4.320 0.084 0.000 0.236 223 A C 1.323 178.914 177.584 0.012 0.000 1.078 223 A CA 0.287 52.330 52.037 0.009 0.000 0.773 223 A CB 0.489 19.505 19.000 0.028 0.000 1.023 223 A HN 0.119 nan 8.150 nan 0.000 0.504 224 D N -0.473 119.937 120.400 0.018 0.000 2.305 224 D HA 0.173 4.863 4.640 0.084 0.000 0.206 224 D C 0.247 176.564 176.300 0.029 0.000 0.974 224 D CA 1.133 55.145 54.000 0.020 0.000 0.871 224 D CB 0.305 41.116 40.800 0.017 0.000 0.947 224 D HN 0.483 nan 8.370 nan 0.000 0.516 225 I N 0.115 120.706 120.570 0.035 0.000 2.842 225 I HA 0.242 4.462 4.170 0.084 0.000 0.297 225 I C -1.788 174.355 176.117 0.045 0.000 1.380 225 I CA -0.727 60.596 61.300 0.038 0.000 1.018 225 I CB 2.430 40.447 38.000 0.029 0.000 1.311 225 I HN -0.343 nan 8.210 nan 0.000 0.439 226 I N 5.893 126.491 120.570 0.046 0.000 2.355 226 I HA 0.362 4.582 4.170 0.084 0.000 0.288 226 I C -0.672 175.451 176.117 0.011 0.000 0.999 226 I CA -0.328 60.998 61.300 0.044 0.000 1.163 226 I CB 1.576 39.614 38.000 0.063 0.000 1.316 226 I HN 0.418 nan 8.210 nan 0.000 0.454 227 E N 6.850 127.054 120.200 0.005 0.000 2.114 227 E HA 0.408 4.808 4.350 0.084 0.000 0.266 227 E C -0.855 175.683 176.600 -0.103 0.000 0.896 227 E CA -0.708 55.650 56.400 -0.070 0.000 0.750 227 E CB 1.877 31.593 29.700 0.028 0.000 1.121 227 E HN 0.358 nan 8.360 nan 0.000 0.413 228 I N 3.246 123.704 120.570 -0.187 0.000 2.297 228 I HA 0.181 4.401 4.170 0.084 0.000 0.291 228 I C -0.531 175.422 176.117 -0.274 0.000 1.033 228 I CA -0.509 60.702 61.300 -0.147 0.000 1.253 228 I CB -0.149 37.812 38.000 -0.066 0.000 1.396 228 I HN 0.477 nan 8.210 nan 0.000 0.476 229 W N 5.871 126.992 121.300 -0.299 0.000 2.314 229 W HA 0.492 5.201 4.660 0.081 0.000 0.310 229 W C 0.844 177.300 176.519 -0.106 0.000 1.075 229 W CA -0.120 57.061 57.345 -0.274 0.000 1.253 229 W CB 1.598 30.679 29.460 -0.631 0.000 1.238 229 W HN 0.463 nan 8.180 nan 0.000 0.440 230 T N 0.671 115.314 114.554 0.147 0.000 2.573 230 T HA 0.219 4.619 4.350 0.084 0.000 0.259 230 T C -0.204 174.615 174.700 0.198 0.000 0.886 230 T CA -0.439 61.752 62.100 0.152 0.000 1.110 230 T CB 0.886 69.817 68.868 0.105 0.000 1.421 230 T HN 0.371 nan 8.240 nan 0.000 0.523 231 D N 0.615 121.157 120.400 0.238 0.000 2.501 231 D HA 0.326 5.017 4.640 0.084 0.000 0.226 231 D C 0.134 176.585 176.300 0.251 0.000 1.198 231 D CA -0.263 53.963 54.000 0.378 0.000 0.830 231 D CB -0.259 40.826 40.800 0.476 0.000 1.014 231 D HN 0.450 nan 8.370 nan 0.000 0.496 232 V N -3.885 116.138 119.914 0.181 0.000 3.049 232 V HA 0.604 4.774 4.120 0.084 0.000 0.309 232 V C 0.051 176.278 176.094 0.222 0.000 1.148 232 V CA -1.048 61.342 62.300 0.150 0.000 0.990 232 V CB 1.842 33.689 31.823 0.040 0.000 1.039 232 V HN -0.094 nan 8.190 nan 0.000 0.430 233 S N 2.357 118.265 115.700 0.346 0.000 3.697 233 S HA 0.664 5.184 4.470 0.084 0.000 0.207 233 S C 0.690 175.368 174.600 0.130 0.000 1.459 233 S CA 0.449 58.779 58.200 0.216 0.000 1.122 233 S CB -0.782 62.535 63.200 0.193 0.000 1.311 233 S HN 1.978 nan 8.310 nan 0.000 0.487 234 G N 0.331 109.195 108.800 0.105 0.000 2.466 234 G HA2 -0.136 3.874 3.960 0.084 0.000 0.316 234 G HA3 -0.136 3.874 3.960 0.084 0.000 0.316 234 G C -0.826 174.149 174.900 0.124 0.000 1.270 234 G CA -0.870 44.242 45.100 0.021 0.000 0.982 234 G HN 0.414 nan 8.290 nan 0.000 0.506 235 V N 0.853 120.793 119.914 0.043 0.000 2.498 235 V HA 0.556 4.727 4.120 0.084 0.000 0.279 235 V C 0.156 176.292 176.094 0.069 0.000 1.048 235 V CA -0.102 62.258 62.300 0.100 0.000 0.967 235 V CB 0.754 32.605 31.823 0.047 0.000 0.988 235 V HN 0.607 nan 8.190 nan 0.000 0.473 236 Y N 1.580 121.899 120.300 0.032 0.000 2.568 236 Y HA 0.259 4.862 4.550 0.087 0.000 0.327 236 Y C 1.972 177.915 175.900 0.073 0.000 1.163 236 Y CA -0.165 57.965 58.100 0.050 0.000 1.219 236 Y CB 1.724 40.214 38.460 0.051 0.000 1.308 236 Y HN 0.764 nan 8.280 nan 0.000 0.503 237 T N -3.088 111.623 114.554 0.261 0.000 2.929 237 T HA -0.036 4.365 4.350 0.084 0.000 0.271 237 T C 0.592 175.463 174.700 0.285 0.000 1.085 237 T CA 1.549 63.793 62.100 0.240 0.000 1.125 237 T CB -0.159 68.865 68.868 0.259 0.000 0.874 237 T HN 0.631 nan 8.240 nan 0.000 0.494 238 T N -0.274 114.441 114.554 0.267 0.000 2.653 238 T HA 0.274 4.674 4.350 0.084 0.000 0.306 238 T C -2.162 172.591 174.700 0.089 0.000 1.426 238 T CA -0.740 61.452 62.100 0.154 0.000 1.008 238 T CB 1.313 70.255 68.868 0.124 0.000 1.692 238 T HN 0.045 nan 8.240 nan 0.000 0.483 239 D N 2.107 122.525 120.400 0.030 0.000 2.389 239 D HA 0.187 4.877 4.640 0.084 0.000 0.263 239 D C -1.211 175.042 176.300 -0.079 0.000 1.255 239 D CA -1.671 52.318 54.000 -0.018 0.000 0.914 239 D CB 1.488 42.280 40.800 -0.014 0.000 1.116 239 D HN 0.198 nan 8.370 nan 0.000 0.502 240 P HA -0.111 nan 4.420 nan 0.000 0.228 240 P C 1.005 178.221 177.300 -0.140 0.000 1.151 240 P CA 0.690 63.663 63.100 -0.212 0.000 0.770 240 P CB 0.364 31.807 31.700 -0.428 0.000 0.786 241 R N -0.953 119.484 120.500 -0.104 0.000 2.193 241 R HA 0.147 4.537 4.340 0.084 0.000 0.213 241 R C 2.346 178.613 176.300 -0.056 0.000 1.055 241 R CA 0.558 56.617 56.100 -0.070 0.000 0.995 241 R CB -0.469 29.801 30.300 -0.051 0.000 0.893 241 R HN 0.228 nan 8.270 nan 0.000 0.459 242 L N -0.830 120.357 121.223 -0.059 0.000 2.253 242 L HA 0.116 4.507 4.340 0.084 0.000 0.205 242 L C 0.036 176.862 176.870 -0.072 0.000 1.078 242 L CA 0.434 55.243 54.840 -0.051 0.000 0.805 242 L CB 0.592 42.629 42.059 -0.037 0.000 0.963 242 L HN -0.134 nan 8.230 nan 0.000 0.459 243 V N 0.112 119.959 119.914 -0.112 0.000 2.439 243 V HA 0.207 4.378 4.120 0.084 0.000 0.277 243 V C -1.652 174.358 176.094 -0.139 0.000 1.008 243 V CA -0.956 61.249 62.300 -0.158 0.000 0.846 243 V CB 1.350 32.978 31.823 -0.325 0.000 1.031 243 V HN -0.084 nan 8.190 nan 0.000 0.441 244 P HA -0.235 nan 4.420 nan 0.000 0.219 244 P C 1.546 178.830 177.300 -0.027 0.000 1.158 244 P CA 2.204 65.270 63.100 -0.057 0.000 0.895 244 P CB 0.016 31.695 31.700 -0.034 0.000 0.792 245 T N -3.900 110.643 114.554 -0.018 0.000 3.317 245 T HA 0.417 4.817 4.350 0.084 0.000 0.250 245 T C 0.681 175.464 174.700 0.139 0.000 1.106 245 T CA -0.185 61.951 62.100 0.059 0.000 0.986 245 T CB -0.971 67.946 68.868 0.083 0.000 1.010 245 T HN 0.109 nan 8.240 nan 0.000 0.560 246 A N 2.219 125.082 122.820 0.073 0.000 2.462 246 A HA 0.521 4.891 4.320 0.084 0.000 0.243 246 A C 0.516 178.370 177.584 0.450 0.000 1.076 246 A CA -0.595 51.591 52.037 0.249 0.000 0.773 246 A CB 0.320 19.411 19.000 0.151 0.000 1.010 246 A HN 0.545 nan 8.150 nan 0.000 0.493 247 R N 1.581 122.310 120.500 0.382 0.000 2.532 247 R HA 0.324 4.714 4.340 0.084 0.000 0.295 247 R C 0.035 176.179 176.300 -0.259 0.000 0.968 247 R CA -0.807 55.367 56.100 0.122 0.000 0.916 247 R CB 1.294 31.628 30.300 0.057 0.000 1.124 247 R HN 0.865 nan 8.270 nan 0.000 0.463 248 R N 2.739 122.832 120.500 -0.677 0.000 2.522 248 R HA 0.085 4.475 4.340 0.084 0.000 0.284 248 R C -0.402 175.681 176.300 -0.360 0.000 1.032 248 R CA 0.082 55.666 56.100 -0.861 0.000 1.049 248 R CB 0.247 30.164 30.300 -0.639 0.000 0.956 248 R HN 0.530 nan 8.270 nan 0.000 0.422 249 I N 8.779 129.184 120.570 -0.276 0.000 2.297 249 I HA 0.179 4.400 4.170 0.084 0.000 0.291 249 I C -1.577 174.459 176.117 -0.135 0.000 1.033 249 I CA -2.408 58.804 61.300 -0.147 0.000 1.253 249 I CB 1.795 39.742 38.000 -0.088 0.000 1.396 249 I HN 0.538 nan 8.210 nan 0.000 0.476 250 P HA -0.108 nan 4.420 nan 0.000 0.215 250 P C -0.485 176.760 177.300 -0.092 0.000 1.153 250 P CA 1.452 64.493 63.100 -0.100 0.000 0.853 250 P CB 0.224 31.876 31.700 -0.080 0.000 0.788 251 K N -1.214 119.135 120.400 -0.085 0.000 2.468 251 K HA 0.575 4.945 4.320 0.084 0.000 0.252 251 K C -1.422 175.127 176.600 -0.085 0.000 0.932 251 K CA -0.788 55.446 56.287 -0.088 0.000 0.794 251 K CB 2.193 34.644 32.500 -0.082 0.000 1.241 251 K HN -0.232 nan 8.250 nan 0.000 0.428 252 L N 1.164 122.328 121.223 -0.099 0.000 2.393 252 L HA 0.438 4.829 4.340 0.084 0.000 0.260 252 L C -0.396 176.394 176.870 -0.133 0.000 1.002 252 L CA -0.292 54.495 54.840 -0.088 0.000 0.818 252 L CB 2.281 44.304 42.059 -0.061 0.000 1.369 252 L HN 0.855 nan 8.230 nan 0.000 0.412 253 S N 1.067 116.703 115.700 -0.106 0.000 2.632 253 S HA 0.248 4.769 4.470 0.084 0.000 0.267 253 S C 1.003 175.551 174.600 -0.087 0.000 1.276 253 S CA -0.114 58.005 58.200 -0.135 0.000 0.998 253 S CB 0.378 63.544 63.200 -0.056 0.000 0.953 253 S HN 0.449 nan 8.310 nan 0.000 0.547 254 Y N 0.451 120.750 120.300 -0.002 0.000 2.128 254 Y HA -0.089 4.511 4.550 0.083 0.000 0.284 254 Y C 2.271 178.170 175.900 -0.002 0.000 1.154 254 Y CA 1.339 59.440 58.100 0.002 0.000 1.149 254 Y CB -0.787 37.676 38.460 0.005 0.000 0.976 254 Y HN 0.673 nan 8.280 nan 0.000 0.505 255 I N 0.270 120.935 120.570 0.157 0.000 2.315 255 I HA -0.208 4.012 4.170 0.084 0.000 0.248 255 I C 2.005 178.155 176.117 0.055 0.000 1.117 255 I CA 1.445 62.792 61.300 0.078 0.000 1.404 255 I CB -0.544 37.486 38.000 0.049 0.000 1.071 255 I HN 0.208 nan 8.210 nan 0.000 0.419 256 E N 0.447 120.672 120.200 0.042 0.000 2.058 256 E HA -0.243 4.158 4.350 0.084 0.000 0.194 256 E C 2.268 178.897 176.600 0.049 0.000 0.997 256 E CA 1.457 57.876 56.400 0.032 0.000 0.801 256 E CB -0.385 29.318 29.700 0.006 0.000 0.746 256 E HN 0.621 nan 8.360 nan 0.000 0.450 257 A N 1.019 123.869 122.820 0.050 0.000 1.902 257 A HA -0.204 4.166 4.320 0.084 0.000 0.217 257 A C 2.128 179.756 177.584 0.073 0.000 1.181 257 A CA 1.466 53.539 52.037 0.060 0.000 0.623 257 A CB -0.468 18.569 19.000 0.062 0.000 0.818 257 A HN 0.242 nan 8.150 nan 0.000 0.443 258 M N -0.901 118.742 119.600 0.072 0.000 2.132 258 M HA -0.134 4.396 4.480 0.084 0.000 0.263 258 M C 1.880 178.210 176.300 0.051 0.000 1.065 258 M CA 1.599 56.926 55.300 0.045 0.000 1.122 258 M CB -0.172 32.437 32.600 0.014 0.000 1.365 258 M HN 0.378 nan 8.290 nan 0.000 0.411 259 E N 0.413 120.660 120.200 0.078 0.000 2.072 259 E HA -0.162 4.238 4.350 0.084 0.000 0.191 259 E C 2.077 178.845 176.600 0.281 0.000 0.985 259 E CA 1.129 57.638 56.400 0.182 0.000 0.801 259 E CB -0.422 29.392 29.700 0.191 0.000 0.750 259 E HN 0.551 nan 8.360 nan 0.000 0.452 260 L N 0.641 121.970 121.223 0.177 0.000 1.994 260 L HA -0.214 4.176 4.340 0.084 0.000 0.208 260 L C 2.595 179.546 176.870 0.135 0.000 1.071 260 L CA 1.332 56.266 54.840 0.158 0.000 0.745 260 L CB -0.545 41.575 42.059 0.101 0.000 0.892 260 L HN 0.081 nan 8.230 nan 0.000 0.431 261 A N -0.661 122.215 122.820 0.092 0.000 1.859 261 A HA -0.349 4.021 4.320 0.084 0.000 0.217 261 A C 2.179 179.763 177.584 -0.001 0.000 1.198 261 A CA 2.172 54.233 52.037 0.041 0.000 0.629 261 A CB -1.267 17.749 19.000 0.026 0.000 0.830 261 A HN 0.530 nan 8.150 nan 0.000 0.446 262 Y N -0.986 119.215 120.300 -0.165 0.000 2.207 262 Y HA -0.191 4.410 4.550 0.085 0.000 0.287 262 Y C 1.314 176.967 175.900 -0.412 0.000 1.156 262 Y CA 1.859 59.756 58.100 -0.338 0.000 1.182 262 Y CB -0.253 37.950 38.460 -0.430 0.000 0.979 262 Y HN 0.249 nan 8.280 nan 0.000 0.521 263 F N 0.014 120.001 119.950 0.061 0.000 2.664 263 F HA 0.331 4.908 4.527 0.083 0.000 0.301 263 F C 1.499 177.265 175.800 -0.057 0.000 1.126 263 F CA 0.524 58.506 58.000 -0.029 0.000 1.373 263 F CB 0.447 39.475 39.000 0.046 0.000 1.042 263 F HN 0.189 nan 8.300 nan 0.000 0.535 264 G N -0.450 108.377 108.800 0.045 0.000 2.205 264 G HA2 -0.057 3.953 3.960 0.084 0.000 0.180 264 G HA3 -0.057 3.953 3.960 0.084 0.000 0.180 264 G C 0.343 175.258 174.900 0.025 0.000 1.004 264 G CA -0.362 44.745 45.100 0.012 0.000 0.670 264 G HN 0.499 nan 8.290 nan 0.000 0.496 265 A N 1.039 123.887 122.820 0.047 0.000 2.797 265 A HA 0.590 4.960 4.320 0.084 0.000 0.296 265 A C 1.383 178.990 177.584 0.038 0.000 1.580 265 A CA 1.283 53.351 52.037 0.052 0.000 1.277 265 A CB 0.006 19.049 19.000 0.072 0.000 1.101 265 A HN 0.530 nan 8.150 nan 0.000 0.562 266 K N 2.019 122.437 120.400 0.030 0.000 2.173 266 K HA -0.201 4.170 4.320 0.084 0.000 0.207 266 K C 1.543 178.174 176.600 0.052 0.000 1.046 266 K CA 2.135 58.441 56.287 0.032 0.000 0.929 266 K CB -0.456 32.061 32.500 0.028 0.000 0.720 266 K HN 0.683 nan 8.250 nan 0.000 0.453 267 V N -0.382 119.568 119.914 0.059 0.000 2.527 267 V HA -0.128 4.043 4.120 0.084 0.000 0.255 267 V C 1.068 177.206 176.094 0.074 0.000 1.081 267 V CA 1.324 63.666 62.300 0.070 0.000 1.092 267 V CB -0.820 31.050 31.823 0.078 0.000 0.673 267 V HN 0.146 nan 8.190 nan 0.000 0.470 268 L N 0.063 121.330 121.223 0.074 0.000 2.410 268 L HA 0.497 4.887 4.340 0.084 0.000 0.270 268 L C -0.208 176.719 176.870 0.096 0.000 0.983 268 L CA -0.615 54.280 54.840 0.092 0.000 0.822 268 L CB 2.090 44.197 42.059 0.081 0.000 1.285 268 L HN 0.202 nan 8.230 nan 0.000 0.409 269 H N 5.494 124.591 119.070 0.046 0.000 2.803 269 H HA 0.101 4.706 4.556 0.083 0.000 0.330 269 H C -1.768 173.566 175.328 0.010 0.000 1.057 269 H CA -1.114 54.951 56.048 0.028 0.000 1.458 269 H CB 1.848 31.641 29.762 0.052 0.000 1.470 269 H HN 0.374 nan 8.280 nan 0.000 0.560 270 P HA -0.184 nan 4.420 nan 0.000 0.216 270 P C 1.057 178.340 177.300 -0.028 0.000 1.150 270 P CA 1.409 64.445 63.100 -0.107 0.000 0.843 270 P CB 0.158 31.783 31.700 -0.124 0.000 0.787 271 R N -0.839 119.681 120.500 0.032 0.000 2.280 271 R HA 0.009 4.399 4.340 0.084 0.000 0.207 271 R C 2.112 178.411 176.300 -0.002 0.000 1.043 271 R CA 1.171 57.161 56.100 -0.184 0.000 1.006 271 R CB -0.896 28.904 30.300 -0.835 0.000 0.885 271 R HN 0.248 nan 8.270 nan 0.000 0.467 272 T N 1.130 115.793 114.554 0.181 0.000 2.803 272 T HA -0.141 4.260 4.350 0.084 0.000 0.269 272 T C 1.670 176.460 174.700 0.151 0.000 1.052 272 T CA 1.125 63.358 62.100 0.221 0.000 1.136 272 T CB -0.093 68.887 68.868 0.186 0.000 0.864 272 T HN 0.074 nan 8.240 nan 0.000 0.467 273 I N 0.938 121.567 120.570 0.098 0.000 2.233 273 I HA -0.028 4.193 4.170 0.084 0.000 0.243 273 I C 2.479 178.585 176.117 -0.019 0.000 1.093 273 I CA 1.083 62.428 61.300 0.075 0.000 1.380 273 I CB -0.463 37.592 38.000 0.090 0.000 1.067 273 I HN 0.193 nan 8.210 nan 0.000 0.413 274 E N 0.350 120.537 120.200 -0.022 0.000 2.048 274 E HA -0.241 4.159 4.350 0.084 0.000 0.202 274 E C -0.419 176.150 176.600 -0.052 0.000 1.021 274 E CA 2.043 58.409 56.400 -0.057 0.000 0.825 274 E CB -1.180 28.492 29.700 -0.047 0.000 0.756 274 E HN 0.387 nan 8.360 nan 0.000 0.454 275 P HA -0.189 nan 4.420 nan 0.000 0.215 275 P C 1.009 178.385 177.300 0.126 0.000 1.157 275 P CA 1.941 65.054 63.100 0.022 0.000 0.868 275 P CB -0.044 31.654 31.700 -0.004 0.000 0.788 276 A N -0.314 122.532 122.820 0.043 0.000 1.859 276 A HA -0.265 4.106 4.320 0.084 0.000 0.217 276 A C 2.335 179.758 177.584 -0.269 0.000 1.198 276 A CA 2.401 54.433 52.037 -0.007 0.000 0.629 276 A CB -1.721 17.328 19.000 0.083 0.000 0.830 276 A HN 0.141 nan 8.150 nan 0.000 0.446 277 M N -0.857 118.364 119.600 -0.632 0.000 2.149 277 M HA -0.211 4.319 4.480 0.084 0.000 0.261 277 M C 2.064 178.138 176.300 -0.376 0.000 1.064 277 M CA 2.329 57.021 55.300 -1.014 0.000 1.102 277 M CB -0.231 31.876 32.600 -0.822 0.000 1.369 277 M HN 0.660 nan 8.290 nan 0.000 0.408 278 E N 0.321 120.432 120.200 -0.150 0.000 2.085 278 E HA -0.214 4.186 4.350 0.084 0.000 0.194 278 E C 1.067 177.672 176.600 0.008 0.000 0.994 278 E CA 1.385 57.785 56.400 -0.001 0.000 0.801 278 E CB 0.162 29.956 29.700 0.157 0.000 0.743 278 E HN 0.477 nan 8.360 nan 0.000 0.453 279 K N -1.215 119.188 120.400 0.005 0.000 2.399 279 K HA 0.165 4.535 4.320 0.084 0.000 0.204 279 K C 0.348 176.942 176.600 -0.010 0.000 1.023 279 K CA 0.398 56.664 56.287 -0.036 0.000 1.127 279 K CB 1.198 33.626 32.500 -0.120 0.000 0.856 279 K HN 0.260 nan 8.250 nan 0.000 0.514 280 G N 2.383 111.182 108.800 -0.001 0.000 2.249 280 G HA2 -0.267 3.743 3.960 0.084 0.000 0.273 280 G HA3 -0.267 3.743 3.960 0.084 0.000 0.273 280 G C -0.010 174.979 174.900 0.148 0.000 1.036 280 G CA 0.025 45.188 45.100 0.104 0.000 0.824 280 G HN 0.291 nan 8.290 nan 0.000 0.504 281 I N 2.101 122.749 120.570 0.129 0.000 2.352 281 I HA 0.276 4.496 4.170 0.084 0.000 0.290 281 I C -1.376 174.875 176.117 0.224 0.000 1.036 281 I CA -2.319 59.059 61.300 0.130 0.000 1.336 281 I CB 1.136 39.188 38.000 0.086 0.000 1.407 281 I HN -0.045 nan 8.210 nan 0.000 0.497 282 P HA 0.234 nan 4.420 nan 0.000 0.271 282 P C -0.669 176.686 177.300 0.092 0.000 1.218 282 P CA 0.039 63.205 63.100 0.109 0.000 0.780 282 P CB 1.029 32.745 31.700 0.027 0.000 0.901 283 I N 2.543 123.155 120.570 0.069 0.000 2.378 283 I HA 0.305 4.525 4.170 0.084 0.000 0.291 283 I C -0.080 176.016 176.117 -0.035 0.000 0.992 283 I CA -0.992 60.330 61.300 0.038 0.000 1.154 283 I CB 1.700 39.748 38.000 0.081 0.000 1.315 283 I HN 0.153 nan 8.210 nan 0.000 0.448 284 L N 8.404 129.583 121.223 -0.073 0.000 2.319 284 L HA 0.533 4.924 4.340 0.084 0.000 0.281 284 L C -0.752 175.989 176.870 -0.215 0.000 1.005 284 L CA -0.413 54.343 54.840 -0.139 0.000 0.828 284 L CB 1.597 43.567 42.059 -0.149 0.000 1.227 284 L HN 0.291 nan 8.230 nan 0.000 0.415 285 V N 5.598 125.393 119.914 -0.199 0.000 2.370 285 V HA 0.545 4.715 4.120 0.084 0.000 0.279 285 V C 0.131 176.045 176.094 -0.300 0.000 1.029 285 V CA -0.618 61.552 62.300 -0.216 0.000 0.870 285 V CB 1.049 32.815 31.823 -0.096 0.000 0.984 285 V HN 0.728 nan 8.190 nan 0.000 0.451 286 K N 2.781 122.894 120.400 -0.478 0.000 2.444 286 K HA 0.469 4.839 4.320 0.084 0.000 0.252 286 K C -0.860 175.556 176.600 -0.308 0.000 0.993 286 K CA -1.055 54.873 56.287 -0.598 0.000 0.847 286 K CB 2.063 33.764 32.500 -1.331 0.000 1.340 286 K HN 0.537 nan 8.250 nan 0.000 0.446 287 N N 1.181 119.824 118.700 -0.094 0.000 2.437 287 N HA 0.032 4.823 4.740 0.084 0.000 0.259 287 N C 0.649 176.390 175.510 0.385 0.000 0.983 287 N CA 0.034 53.182 53.050 0.164 0.000 0.937 287 N CB 1.540 40.144 38.487 0.195 0.000 1.122 287 N HN 0.684 nan 8.380 nan 0.000 0.499 288 T N 1.253 116.049 114.554 0.404 0.000 2.915 288 T HA -0.057 4.343 4.350 0.084 0.000 0.269 288 T C 1.203 175.956 174.700 0.089 0.000 1.071 288 T CA 1.120 63.414 62.100 0.323 0.000 1.132 288 T CB -0.362 68.533 68.868 0.045 0.000 0.878 288 T HN 0.364 nan 8.240 nan 0.000 0.479 289 F N 1.042 121.167 119.950 0.292 0.000 2.789 289 F HA 0.483 5.059 4.527 0.082 0.000 0.300 289 F C 1.316 177.204 175.800 0.146 0.000 1.132 289 F CA -0.310 57.778 58.000 0.147 0.000 1.404 289 F CB 0.063 39.113 39.000 0.083 0.000 1.114 289 F HN 0.228 nan 8.300 nan 0.000 0.584 290 E N 0.138 120.534 120.200 0.326 0.000 3.909 290 E HA 0.204 4.605 4.350 0.084 0.000 0.236 290 E C -1.913 174.835 176.600 0.247 0.000 1.222 290 E CA -1.398 55.149 56.400 0.245 0.000 1.205 290 E CB 0.453 30.275 29.700 0.203 0.000 1.249 290 E HN -0.119 nan 8.360 nan 0.000 0.411 291 P HA -0.143 nan 4.420 nan 0.000 0.225 291 P C 0.427 177.881 177.300 0.256 0.000 1.148 291 P CA 0.917 64.261 63.100 0.406 0.000 0.779 291 P CB 0.487 32.427 31.700 0.400 0.000 0.780 292 E N -0.298 120.006 120.200 0.174 0.000 2.489 292 E HA 0.044 4.445 4.350 0.084 0.000 0.193 292 E C 0.773 177.418 176.600 0.074 0.000 1.057 292 E CA 0.099 56.569 56.400 0.116 0.000 0.866 292 E CB -0.085 29.674 29.700 0.099 0.000 0.916 292 E HN 0.138 nan 8.360 nan 0.000 0.500 293 S N 1.344 117.085 115.700 0.068 0.000 2.564 293 S HA 0.005 4.525 4.470 0.084 0.000 0.278 293 S C 1.222 175.811 174.600 -0.019 0.000 1.333 293 S CA -0.401 57.817 58.200 0.029 0.000 1.048 293 S CB 0.883 64.108 63.200 0.042 0.000 0.900 293 S HN -0.010 nan 8.310 nan 0.000 0.505 294 E N 3.514 123.695 120.200 -0.032 0.000 2.268 294 E HA 0.043 4.443 4.350 0.084 0.000 0.195 294 E C 1.601 178.143 176.600 -0.097 0.000 0.995 294 E CA 0.715 57.080 56.400 -0.059 0.000 0.836 294 E CB -0.836 28.834 29.700 -0.049 0.000 0.763 294 E HN 0.947 nan 8.360 nan 0.000 0.491 295 G N 1.001 109.743 108.800 -0.097 0.000 2.596 295 G HA2 -0.310 3.700 3.960 0.084 0.000 0.295 295 G HA3 -0.310 3.700 3.960 0.084 0.000 0.295 295 G C -0.053 174.772 174.900 -0.124 0.000 1.240 295 G CA 0.633 45.662 45.100 -0.118 0.000 0.985 295 G HN 0.268 nan 8.290 nan 0.000 0.555 296 T N 0.588 115.067 114.554 -0.125 0.000 2.840 296 T HA 0.524 4.925 4.350 0.084 0.000 0.287 296 T C -0.606 174.031 174.700 -0.106 0.000 0.991 296 T CA -0.273 61.761 62.100 -0.109 0.000 0.964 296 T CB 1.776 70.591 68.868 -0.090 0.000 0.954 296 T HN 0.855 nan 8.240 nan 0.000 0.438 297 L N 5.117 126.278 121.223 -0.103 0.000 2.264 297 L HA 0.616 5.006 4.340 0.084 0.000 0.289 297 L C -0.975 175.819 176.870 -0.128 0.000 1.044 297 L CA -0.418 54.360 54.840 -0.105 0.000 0.807 297 L CB 0.277 42.279 42.059 -0.094 0.000 1.192 297 L HN 0.625 nan 8.230 nan 0.000 0.425 298 I N 5.669 126.155 120.570 -0.141 0.000 2.328 298 I HA 0.475 4.695 4.170 0.084 0.000 0.287 298 I C 0.231 176.075 176.117 -0.455 0.000 1.012 298 I CA -0.149 61.016 61.300 -0.226 0.000 1.195 298 I CB 1.246 39.181 38.000 -0.108 0.000 1.350 298 I HN 0.767 nan 8.210 nan 0.000 0.464 299 T N 0.228 114.381 114.554 -0.668 0.000 2.618 299 T HA 0.305 4.705 4.350 0.084 0.000 0.286 299 T C 0.448 174.586 174.700 -0.936 0.000 1.027 299 T CA -0.693 60.892 62.100 -0.858 0.000 1.063 299 T CB 1.150 69.833 68.868 -0.308 0.000 1.440 299 T HN 0.403 nan 8.240 nan 0.000 0.505 300 N N 0.510 118.996 118.700 -0.355 0.000 2.457 300 N HA 0.075 4.865 4.740 0.084 0.000 0.180 300 N C -0.542 174.930 175.510 -0.062 0.000 1.050 300 N CA 0.157 53.183 53.050 -0.039 0.000 0.906 300 N CB -0.055 38.513 38.487 0.135 0.000 0.968 300 N HN 0.502 nan 8.380 nan 0.000 0.445 301 D N 1.118 121.456 120.400 -0.102 0.000 2.472 301 D HA -0.033 4.658 4.640 0.084 0.000 0.248 301 D C -0.198 176.059 176.300 -0.072 0.000 1.174 301 D CA 0.900 54.856 54.000 -0.073 0.000 0.883 301 D CB 0.510 41.263 40.800 -0.079 0.000 1.149 301 D HN 0.183 nan 8.370 nan 0.000 0.488 302 M N 2.050 121.624 119.600 -0.043 0.000 2.464 302 M HA 0.276 4.806 4.480 0.084 0.000 0.308 302 M C -1.121 175.161 176.300 -0.031 0.000 1.127 302 M CA -0.569 54.709 55.300 -0.037 0.000 0.913 302 M CB 2.418 35.005 32.600 -0.022 0.000 1.689 302 M HN 0.266 nan 8.290 nan 0.000 0.445 303 E N 4.936 125.117 120.200 -0.033 0.000 2.307 303 E HA 0.311 4.711 4.350 0.084 0.000 0.280 303 E C -1.652 174.930 176.600 -0.030 0.000 0.900 303 E CA -0.465 55.917 56.400 -0.029 0.000 0.790 303 E CB 1.986 31.667 29.700 -0.032 0.000 1.261 303 E HN 0.782 nan 8.360 nan 0.000 0.405 304 M N 2.023 121.608 119.600 -0.026 0.000 2.245 304 M HA 0.106 4.636 4.480 0.084 0.000 0.344 304 M C 0.533 176.817 176.300 -0.027 0.000 1.170 304 M CA 0.464 55.747 55.300 -0.028 0.000 1.135 304 M CB 1.147 33.733 32.600 -0.024 0.000 1.574 304 M HN 0.390 nan 8.290 nan 0.000 0.452 305 S N 0.998 116.680 115.700 -0.029 0.000 2.617 305 S HA 0.054 4.574 4.470 0.084 0.000 0.269 305 S C 0.494 175.085 174.600 -0.015 0.000 1.292 305 S CA -0.777 57.409 58.200 -0.024 0.000 1.010 305 S CB 0.758 63.942 63.200 -0.027 0.000 0.944 305 S HN 0.645 nan 8.310 nan 0.000 0.536 306 D N 1.556 121.951 120.400 -0.007 0.000 2.092 306 D HA -0.064 4.626 4.640 0.084 0.000 0.193 306 D C 0.906 177.214 176.300 0.013 0.000 0.994 306 D CA 1.393 55.393 54.000 0.001 0.000 0.828 306 D CB -0.265 40.536 40.800 0.002 0.000 0.963 306 D HN 0.503 nan 8.370 nan 0.000 0.450 307 S N 0.837 116.555 115.700 0.029 0.000 2.642 307 S HA 0.338 4.858 4.470 0.084 0.000 0.309 307 S C 0.189 174.800 174.600 0.019 0.000 1.125 307 S CA -0.872 57.371 58.200 0.072 0.000 1.055 307 S CB -0.608 62.679 63.200 0.145 0.000 1.157 307 S HN -0.014 nan 8.310 nan 0.000 0.513 308 I N 2.405 122.959 120.570 -0.027 0.000 3.055 308 I HA -0.028 4.192 4.170 0.084 0.000 0.308 308 I C 0.256 176.252 176.117 -0.202 0.000 1.224 308 I CA 0.791 62.035 61.300 -0.094 0.000 1.443 308 I CB -0.202 37.740 38.000 -0.096 0.000 1.318 308 I HN 0.601 nan 8.210 nan 0.000 0.577 309 V N 4.222 124.002 119.914 -0.224 0.000 3.019 309 V HA -0.147 4.023 4.120 0.084 0.000 0.437 309 V C 0.399 176.402 176.094 -0.152 0.000 0.682 309 V CA -0.229 61.886 62.300 -0.308 0.000 1.970 309 V CB -1.121 30.242 31.823 -0.767 0.000 2.457 309 V HN 0.955 nan 8.190 nan 0.000 0.489 310 K N 1.616 121.957 120.400 -0.099 0.000 2.399 310 K HA 0.742 5.112 4.320 0.084 0.000 0.196 310 K C 0.389 176.977 176.600 -0.019 0.000 1.103 310 K CA 0.962 57.219 56.287 -0.050 0.000 0.986 310 K CB 1.633 34.108 32.500 -0.042 0.000 0.952 310 K HN 1.132 nan 8.250 nan 0.000 0.541 311 A N 0.840 123.653 122.820 -0.012 0.000 2.606 311 A HA 0.689 5.059 4.320 0.084 0.000 0.293 311 A C -1.708 175.903 177.584 0.045 0.000 1.082 311 A CA -0.715 51.348 52.037 0.043 0.000 0.685 311 A CB 1.092 20.124 19.000 0.053 0.000 1.284 311 A HN 0.081 nan 8.150 nan 0.000 0.408 312 I N 1.466 122.093 120.570 0.096 0.000 2.466 312 I HA 0.549 4.769 4.170 0.084 0.000 0.289 312 I C 0.227 176.388 176.117 0.073 0.000 1.026 312 I CA -0.279 61.070 61.300 0.082 0.000 1.078 312 I CB 2.422 40.503 38.000 0.136 0.000 1.249 312 I HN 0.713 nan 8.210 nan 0.000 0.429 313 S N 2.738 118.463 115.700 0.041 0.000 2.599 313 S HA 0.927 5.447 4.470 0.084 0.000 0.294 313 S C -0.443 174.161 174.600 0.007 0.000 1.094 313 S CA -0.640 57.588 58.200 0.046 0.000 0.931 313 S CB 2.078 65.330 63.200 0.087 0.000 1.093 313 S HN 0.675 nan 8.310 nan 0.000 0.488 314 T N -1.008 113.554 114.554 0.013 0.000 2.900 314 T HA 0.740 5.141 4.350 0.084 0.000 0.295 314 T C -0.799 173.903 174.700 0.003 0.000 1.044 314 T CA -0.841 61.251 62.100 -0.013 0.000 0.995 314 T CB 0.714 69.573 68.868 -0.015 0.000 1.072 314 T HN 0.677 nan 8.240 nan 0.000 0.473 315 I N 2.448 123.015 120.570 -0.005 0.000 2.418 315 I HA 0.458 4.678 4.170 0.084 0.000 0.287 315 I C 1.054 177.163 176.117 -0.013 0.000 1.008 315 I CA -0.925 60.369 61.300 -0.009 0.000 1.104 315 I CB 2.196 40.188 38.000 -0.013 0.000 1.264 315 I HN 0.761 nan 8.210 nan 0.000 0.438 316 K N 3.562 123.956 120.400 -0.011 0.000 2.202 316 K HA 0.143 4.514 4.320 0.084 0.000 0.201 316 K C 0.473 177.070 176.600 -0.004 0.000 1.051 316 K CA 0.578 56.861 56.287 -0.006 0.000 0.977 316 K CB 0.363 32.862 32.500 -0.002 0.000 0.792 316 K HN 0.509 nan 8.250 nan 0.000 0.469 317 N N 2.112 120.807 118.700 -0.007 0.000 3.178 317 N HA 0.057 4.848 4.740 0.084 0.000 0.300 317 N C -0.884 174.622 175.510 -0.007 0.000 1.242 317 N CA 0.047 53.094 53.050 -0.005 0.000 1.192 317 N CB 0.651 39.135 38.487 -0.005 0.000 1.463 317 N HN 0.056 nan 8.380 nan 0.000 0.539 318 V N -2.581 117.332 119.914 -0.002 0.000 3.078 318 V HA 0.994 5.164 4.120 0.084 0.000 0.311 318 V C -0.349 175.751 176.094 0.009 0.000 1.138 318 V CA -1.446 60.854 62.300 0.001 0.000 1.007 318 V CB 1.735 33.559 31.823 0.001 0.000 1.045 318 V HN 0.197 nan 8.190 nan 0.000 0.432 319 A N 2.156 124.984 122.820 0.013 0.000 2.374 319 A HA 0.887 5.258 4.320 0.084 0.000 0.317 319 A C -1.078 176.518 177.584 0.020 0.000 1.094 319 A CA -0.731 51.316 52.037 0.017 0.000 0.765 319 A CB 1.616 20.628 19.000 0.019 0.000 1.268 319 A HN 1.433 nan 8.150 nan 0.000 0.438 320 L N 2.721 123.955 121.223 0.020 0.000 2.257 320 L HA 0.571 4.961 4.340 0.084 0.000 0.290 320 L C -0.863 176.013 176.870 0.009 0.000 1.044 320 L CA 0.000 54.850 54.840 0.016 0.000 0.810 320 L CB 0.200 42.268 42.059 0.016 0.000 1.193 320 L HN 0.538 nan 8.230 nan 0.000 0.425 321 I N 5.512 126.082 120.570 -0.001 0.000 2.339 321 I HA 0.328 4.548 4.170 0.084 0.000 0.290 321 I C -0.311 175.763 176.117 -0.071 0.000 0.994 321 I CA -0.465 60.825 61.300 -0.017 0.000 1.191 321 I CB 1.007 39.002 38.000 -0.007 0.000 1.343 321 I HN 0.571 nan 8.210 nan 0.000 0.458 322 N N 7.760 126.389 118.700 -0.118 0.000 2.444 322 N HA 0.493 5.284 4.740 0.084 0.000 0.262 322 N C -0.738 174.507 175.510 -0.441 0.000 0.974 322 N CA -0.383 52.478 53.050 -0.315 0.000 0.933 322 N CB 2.329 40.566 38.487 -0.417 0.000 1.137 322 N HN 0.443 nan 8.380 nan 0.000 0.498 323 I N 2.881 123.197 120.570 -0.423 0.000 2.331 323 I HA 0.294 4.514 4.170 0.084 0.000 0.292 323 I C -0.423 175.427 176.117 -0.445 0.000 0.998 323 I CA -0.584 60.522 61.300 -0.323 0.000 1.267 323 I CB 0.594 38.455 38.000 -0.230 0.000 1.386 323 I HN 0.251 nan 8.210 nan 0.000 0.476 324 F N 4.260 124.150 119.950 -0.100 0.000 2.385 324 F HA 0.445 5.022 4.527 0.084 0.000 0.360 324 F C 1.116 176.848 175.800 -0.112 0.000 1.122 324 F CA -0.557 57.392 58.000 -0.085 0.000 1.090 324 F CB 1.129 40.092 39.000 -0.062 0.000 1.150 324 F HN 0.430 nan 8.300 nan 0.000 0.472 325 G N 1.204 110.019 108.800 0.025 0.000 2.569 325 G HA2 0.391 4.401 3.960 0.084 0.000 0.249 325 G HA3 0.391 4.401 3.960 0.084 0.000 0.249 325 G C 0.378 175.289 174.900 0.019 0.000 1.216 325 G CA -0.400 44.687 45.100 -0.022 0.000 0.845 325 G HN 0.851 nan 8.290 nan 0.000 0.568 326 A N 0.329 123.147 122.820 -0.004 0.000 2.412 326 A HA 0.612 4.983 4.320 0.084 0.000 0.253 326 A C 1.388 178.997 177.584 0.041 0.000 1.334 326 A CA 1.069 53.117 52.037 0.019 0.000 0.929 326 A CB -1.078 17.929 19.000 0.010 0.000 0.983 326 A HN 2.439 nan 8.150 nan 0.000 0.508 327 G N -0.665 108.157 108.800 0.037 0.000 2.378 327 G HA2 -0.116 3.894 3.960 0.084 0.000 0.198 327 G HA3 -0.116 3.894 3.960 0.084 0.000 0.198 327 G C -0.052 174.868 174.900 0.034 0.000 1.223 327 G CA -0.314 44.811 45.100 0.041 0.000 1.088 327 G HN 0.279 nan 8.290 nan 0.000 0.530 328 M N 2.114 121.736 119.600 0.037 0.000 3.436 328 M HA 0.307 4.838 4.480 0.084 0.000 0.240 328 M C 1.496 177.822 176.300 0.043 0.000 1.469 328 M CA 0.046 55.365 55.300 0.032 0.000 1.622 328 M CB 0.273 32.887 32.600 0.023 0.000 1.098 328 M HN 0.818 nan 8.290 nan 0.000 0.568 329 V N -1.746 118.191 119.914 0.039 0.000 3.621 329 V HA 0.517 4.688 4.120 0.084 0.000 0.285 329 V C 0.712 176.832 176.094 0.043 0.000 1.346 329 V CA 0.079 62.406 62.300 0.044 0.000 1.104 329 V CB -0.741 31.105 31.823 0.039 0.000 0.913 329 V HN 0.844 nan 8.190 nan 0.000 0.432 330 G N 0.372 109.194 108.800 0.038 0.000 3.383 330 G HA2 -0.039 3.971 3.960 0.084 0.000 0.685 330 G HA3 -0.039 3.971 3.960 0.084 0.000 0.685 330 G C 0.047 174.972 174.900 0.041 0.000 1.104 330 G CA 0.241 45.364 45.100 0.039 0.000 0.957 330 G HN 1.201 nan 8.290 nan 0.000 0.461 331 V N 2.039 121.976 119.914 0.038 0.000 2.358 331 V HA -0.099 4.071 4.120 0.084 0.000 0.246 331 V C 2.725 178.857 176.094 0.063 0.000 1.047 331 V CA 3.429 65.755 62.300 0.043 0.000 1.035 331 V CB -0.283 31.562 31.823 0.037 0.000 0.658 331 V HN 1.963 nan 8.190 nan 0.000 0.452 332 S N 0.257 115.995 115.700 0.064 0.000 2.423 332 S HA 0.062 4.582 4.470 0.084 0.000 0.231 332 S C 2.052 176.704 174.600 0.087 0.000 1.014 332 S CA 1.111 59.358 58.200 0.080 0.000 0.965 332 S CB -0.851 62.387 63.200 0.064 0.000 0.785 332 S HN 0.831 nan 8.310 nan 0.000 0.495 333 G N 1.647 110.492 108.800 0.076 0.000 2.394 333 G HA2 -0.123 3.888 3.960 0.084 0.000 0.214 333 G HA3 -0.123 3.888 3.960 0.084 0.000 0.214 333 G C 1.619 176.582 174.900 0.106 0.000 1.176 333 G CA 1.302 46.450 45.100 0.080 0.000 0.786 333 G HN 0.636 nan 8.290 nan 0.000 0.533 334 T N -0.141 114.477 114.554 0.106 0.000 2.942 334 T HA 0.248 4.649 4.350 0.084 0.000 0.265 334 T C 2.581 177.354 174.700 0.121 0.000 1.062 334 T CA 1.703 63.889 62.100 0.142 0.000 1.139 334 T CB -0.313 68.592 68.868 0.062 0.000 0.883 334 T HN 0.286 nan 8.240 nan 0.000 0.468 335 A N 1.726 124.601 122.820 0.092 0.000 1.908 335 A HA 0.218 4.588 4.320 0.084 0.000 0.218 335 A C 2.872 180.575 177.584 0.197 0.000 1.181 335 A CA 2.185 54.293 52.037 0.118 0.000 0.627 335 A CB -1.550 17.593 19.000 0.239 0.000 0.818 335 A HN 0.838 nan 8.150 nan 0.000 0.445 336 A N -0.298 122.630 122.820 0.180 0.000 1.892 336 A HA -0.224 4.146 4.320 0.084 0.000 0.218 336 A C 2.281 179.936 177.584 0.120 0.000 1.188 336 A CA 1.800 53.933 52.037 0.160 0.000 0.631 336 A CB -0.490 18.572 19.000 0.104 0.000 0.822 336 A HN 0.569 nan 8.150 nan 0.000 0.447 337 R N -0.899 119.658 120.500 0.095 0.000 2.090 337 R HA 0.062 4.452 4.340 0.084 0.000 0.228 337 R C 2.051 178.354 176.300 0.004 0.000 1.110 337 R CA 1.244 57.341 56.100 -0.005 0.000 0.973 337 R CB -0.414 29.838 30.300 -0.081 0.000 0.869 337 R HN 0.579 nan 8.270 nan 0.000 0.440 338 I N -0.011 120.634 120.570 0.126 0.000 2.127 338 I HA -0.295 3.926 4.170 0.084 0.000 0.241 338 I C 1.624 177.643 176.117 -0.162 0.000 1.075 338 I CA 1.558 62.839 61.300 -0.031 0.000 1.334 338 I CB -0.160 37.631 38.000 -0.349 0.000 1.040 338 I HN 0.057 nan 8.210 nan 0.000 0.405 339 F N 0.633 120.633 119.950 0.083 0.000 2.367 339 F HA -0.052 4.525 4.527 0.083 0.000 0.298 339 F C 2.399 178.216 175.800 0.030 0.000 1.094 339 F CA 0.828 58.859 58.000 0.051 0.000 1.409 339 F CB -0.618 38.407 39.000 0.043 0.000 1.064 339 F HN -0.069 nan 8.300 nan 0.000 0.528 340 K N 0.915 121.413 120.400 0.164 0.000 1.991 340 K HA -0.215 4.156 4.320 0.084 0.000 0.212 340 K C 2.339 178.963 176.600 0.041 0.000 1.049 340 K CA 1.562 57.894 56.287 0.075 0.000 0.932 340 K CB -0.415 32.098 32.500 0.021 0.000 0.717 340 K HN 0.174 nan 8.250 nan 0.000 0.441 341 A N 1.022 123.843 122.820 0.001 0.000 1.883 341 A HA -0.175 4.196 4.320 0.084 0.000 0.217 341 A C 2.060 179.662 177.584 0.031 0.000 1.186 341 A CA 1.468 53.497 52.037 -0.013 0.000 0.624 341 A CB -0.606 18.366 19.000 -0.047 0.000 0.822 341 A HN 0.316 nan 8.150 nan 0.000 0.444 342 L N -0.281 120.980 121.223 0.064 0.000 2.056 342 L HA -0.013 4.377 4.340 0.084 0.000 0.207 342 L C 2.742 179.669 176.870 0.095 0.000 1.078 342 L CA 1.803 56.697 54.840 0.091 0.000 0.749 342 L CB -1.419 40.724 42.059 0.139 0.000 0.901 342 L HN 0.399 nan 8.230 nan 0.000 0.433 343 G N -1.162 107.704 108.800 0.110 0.000 2.446 343 G HA2 -0.266 3.745 3.960 0.084 0.000 0.217 343 G HA3 -0.266 3.745 3.960 0.084 0.000 0.217 343 G C 1.535 176.465 174.900 0.051 0.000 1.168 343 G CA 0.677 45.825 45.100 0.080 0.000 0.771 343 G HN 0.418 nan 8.290 nan 0.000 0.551 344 E N -0.125 120.099 120.200 0.041 0.000 2.118 344 E HA -0.130 4.270 4.350 0.084 0.000 0.195 344 E C 2.133 178.749 176.600 0.026 0.000 0.992 344 E CA 1.106 57.521 56.400 0.025 0.000 0.804 344 E CB 0.013 29.720 29.700 0.011 0.000 0.741 344 E HN 0.405 nan 8.360 nan 0.000 0.458 345 E N 0.194 120.413 120.200 0.032 0.000 2.479 345 E HA -0.013 4.387 4.350 0.084 0.000 0.193 345 E C -0.598 176.024 176.600 0.037 0.000 1.049 345 E CA 0.067 56.486 56.400 0.032 0.000 0.870 345 E CB 0.122 29.841 29.700 0.032 0.000 0.944 345 E HN 0.130 nan 8.360 nan 0.000 0.492 346 E N -0.958 119.266 120.200 0.040 0.000 2.637 346 E HA -0.182 4.218 4.350 0.084 0.000 0.265 346 E C -0.835 175.791 176.600 0.043 0.000 1.073 346 E CA 0.261 56.685 56.400 0.040 0.000 0.778 346 E CB -1.622 28.099 29.700 0.035 0.000 1.362 346 E HN 0.019 nan 8.360 nan 0.000 0.413 347 V N 1.709 121.655 119.914 0.053 0.000 2.521 347 V HA -0.006 4.165 4.120 0.084 0.000 0.286 347 V C 0.995 177.124 176.094 0.057 0.000 1.034 347 V CA 0.108 62.441 62.300 0.055 0.000 1.045 347 V CB 1.199 33.062 31.823 0.066 0.000 0.974 347 V HN 0.275 nan 8.190 nan 0.000 0.480 348 N N 4.396 123.119 118.700 0.038 0.000 2.482 348 N HA 0.177 4.967 4.740 0.084 0.000 0.242 348 N C -0.574 174.954 175.510 0.030 0.000 1.100 348 N CA -0.301 52.763 53.050 0.023 0.000 0.946 348 N CB 1.368 39.851 38.487 -0.007 0.000 1.227 348 N HN 0.568 nan 8.380 nan 0.000 0.508 349 V N 5.636 125.586 119.914 0.059 0.000 2.465 349 V HA 0.240 4.410 4.120 0.084 0.000 0.279 349 V C 0.996 177.127 176.094 0.061 0.000 1.045 349 V CA -0.392 61.957 62.300 0.083 0.000 0.938 349 V CB 0.948 32.870 31.823 0.164 0.000 0.986 349 V HN 0.508 nan 8.190 nan 0.000 0.467 350 I N 5.060 125.668 120.570 0.063 0.000 3.339 350 I HA 0.310 4.531 4.170 0.084 0.000 0.285 350 I C -0.006 176.234 176.117 0.205 0.000 1.201 350 I CA 0.704 62.047 61.300 0.071 0.000 1.434 350 I CB 0.142 38.163 38.000 0.036 0.000 1.152 350 I HN 0.412 nan 8.210 nan 0.000 0.443 351 L N 0.975 122.298 121.223 0.166 0.000 2.482 351 L HA 0.533 4.924 4.340 0.084 0.000 0.263 351 L C -0.839 176.111 176.870 0.133 0.000 0.957 351 L CA -0.344 54.597 54.840 0.168 0.000 0.836 351 L CB 2.596 44.744 42.059 0.148 0.000 1.324 351 L HN -0.091 nan 8.230 nan 0.000 0.406 352 I N 1.401 122.044 120.570 0.121 0.000 2.498 352 I HA 0.610 4.830 4.170 0.084 0.000 0.290 352 I C -0.366 175.807 176.117 0.092 0.000 1.032 352 I CA -0.461 60.917 61.300 0.130 0.000 1.073 352 I CB 2.152 40.245 38.000 0.155 0.000 1.251 352 I HN 0.491 nan 8.210 nan 0.000 0.426 353 S N 4.428 120.173 115.700 0.075 0.000 2.532 353 S HA 0.660 5.181 4.470 0.084 0.000 0.299 353 S C -1.190 173.432 174.600 0.036 0.000 1.105 353 S CA -0.473 57.755 58.200 0.047 0.000 1.018 353 S CB 1.402 64.617 63.200 0.025 0.000 1.021 353 S HN 0.572 nan 8.310 nan 0.000 0.483 354 Q N 2.730 122.551 119.800 0.035 0.000 2.271 354 Q HA 0.684 5.074 4.340 0.084 0.000 0.268 354 Q C -0.784 175.224 176.000 0.014 0.000 1.021 354 Q CA -0.520 55.295 55.803 0.021 0.000 0.802 354 Q CB 1.429 30.192 28.738 0.040 0.000 1.282 354 Q HN 0.816 nan 8.270 nan 0.000 0.431 355 G N 1.671 110.472 108.800 0.001 0.000 3.748 355 G HA2 0.473 4.484 3.960 0.084 0.000 0.292 355 G HA3 0.473 4.484 3.960 0.084 0.000 0.292 355 G C -1.510 173.387 174.900 -0.005 0.000 3.340 355 G CA 0.035 45.136 45.100 0.001 0.000 0.603 355 G HN 0.888 nan 8.290 nan 0.000 0.290 356 S N 0.554 116.253 115.700 -0.002 0.000 2.605 356 S HA 0.472 4.993 4.470 0.084 0.000 0.279 356 S C 1.330 175.931 174.600 0.003 0.000 1.166 356 S CA 0.523 58.721 58.200 -0.003 0.000 0.975 356 S CB 1.053 64.245 63.200 -0.014 0.000 1.111 356 S HN 1.380 nan 8.310 nan 0.000 0.465 357 S N 3.259 118.962 115.700 0.005 0.000 2.442 357 S HA -0.051 4.469 4.470 0.084 0.000 0.236 357 S C 0.953 175.560 174.600 0.011 0.000 1.007 357 S CA 1.163 59.367 58.200 0.006 0.000 0.965 357 S CB -0.466 62.736 63.200 0.003 0.000 0.773 357 S HN 0.816 nan 8.310 nan 0.000 0.504 358 E N 0.590 120.799 120.200 0.015 0.000 2.489 358 E HA 0.087 4.487 4.350 0.084 0.000 0.193 358 E C -0.274 176.333 176.600 0.013 0.000 1.057 358 E CA 0.330 56.744 56.400 0.024 0.000 0.866 358 E CB -0.146 29.581 29.700 0.046 0.000 0.916 358 E HN 0.568 nan 8.360 nan 0.000 0.500 359 T N 1.029 115.583 114.554 0.000 0.000 4.252 359 T HA -0.160 4.240 4.350 0.084 0.000 0.331 359 T C -0.088 174.585 174.700 -0.046 0.000 0.771 359 T CA 0.394 62.485 62.100 -0.015 0.000 1.939 359 T CB -1.539 67.324 68.868 -0.009 0.000 1.907 359 T HN 0.207 nan 8.240 nan 0.000 0.892 360 N N 0.662 119.331 118.700 -0.052 0.000 2.453 360 N HA 0.655 5.446 4.740 0.084 0.000 0.253 360 N C -0.006 175.428 175.510 -0.127 0.000 1.252 360 N CA -0.212 52.764 53.050 -0.123 0.000 0.917 360 N CB 0.645 39.054 38.487 -0.131 0.000 1.117 360 N HN 0.642 nan 8.380 nan 0.000 0.442 361 I N -0.241 120.218 120.570 -0.185 0.000 2.680 361 I HA 0.181 4.401 4.170 0.084 0.000 0.291 361 I C -1.040 174.987 176.117 -0.150 0.000 1.244 361 I CA -0.374 60.853 61.300 -0.122 0.000 1.042 361 I CB 1.377 39.326 38.000 -0.084 0.000 1.277 361 I HN 0.303 nan 8.210 nan 0.000 0.423 362 S N 7.427 123.076 115.700 -0.085 0.000 2.489 362 S HA 0.747 5.268 4.470 0.084 0.000 0.291 362 S C -0.735 173.868 174.600 0.004 0.000 1.151 362 S CA -0.591 57.568 58.200 -0.069 0.000 1.082 362 S CB 1.305 64.473 63.200 -0.053 0.000 1.019 362 S HN 0.393 nan 8.310 nan 0.000 0.492 363 L N 2.110 123.338 121.223 0.008 0.000 2.408 363 L HA 0.631 5.021 4.340 0.084 0.000 0.268 363 L C -1.011 175.889 176.870 0.051 0.000 0.986 363 L CA -1.089 53.788 54.840 0.063 0.000 0.820 363 L CB 1.752 43.858 42.059 0.078 0.000 1.303 363 L HN 0.289 nan 8.230 nan 0.000 0.411 364 V N 3.214 123.170 119.914 0.070 0.000 2.394 364 V HA 0.559 4.729 4.120 0.084 0.000 0.282 364 V C 0.089 176.216 176.094 0.056 0.000 1.031 364 V CA -0.519 61.815 62.300 0.056 0.000 0.881 364 V CB 1.864 33.724 31.823 0.062 0.000 0.982 364 V HN 0.561 nan 8.190 nan 0.000 0.451 365 V N 1.972 121.909 119.914 0.038 0.000 3.074 365 V HA 0.694 4.865 4.120 0.084 0.000 0.314 365 V C 0.093 176.193 176.094 0.011 0.000 1.117 365 V CA -0.803 61.515 62.300 0.031 0.000 1.014 365 V CB 2.049 33.896 31.823 0.040 0.000 1.057 365 V HN 0.679 nan 8.190 nan 0.000 0.438 366 S N 1.206 116.905 115.700 -0.001 0.000 2.546 366 S HA 0.025 4.545 4.470 0.084 0.000 0.290 366 S C 1.095 175.698 174.600 0.005 0.000 1.290 366 S CA 0.703 58.898 58.200 -0.008 0.000 1.069 366 S CB 0.447 63.639 63.200 -0.013 0.000 0.846 366 S HN 1.026 nan 8.310 nan 0.000 0.495 367 E N 2.166 122.368 120.200 0.004 0.000 2.130 367 E HA -0.236 4.164 4.350 0.084 0.000 0.196 367 E C 1.839 178.447 176.600 0.013 0.000 0.998 367 E CA 1.376 57.781 56.400 0.010 0.000 0.806 367 E CB 0.033 29.738 29.700 0.008 0.000 0.738 367 E HN 0.798 nan 8.360 nan 0.000 0.459 368 E N 0.066 120.273 120.200 0.012 0.000 2.516 368 E HA -0.162 4.239 4.350 0.084 0.000 0.199 368 E C 0.430 177.041 176.600 0.019 0.000 1.069 368 E CA 0.738 57.147 56.400 0.016 0.000 0.876 368 E CB 0.148 29.858 29.700 0.017 0.000 0.843 368 E HN 0.230 nan 8.360 nan 0.000 0.530 369 D N 0.483 120.895 120.400 0.020 0.000 2.369 369 D HA 0.065 4.756 4.640 0.084 0.000 0.211 369 D C 1.752 178.068 176.300 0.027 0.000 1.077 369 D CA 0.004 54.019 54.000 0.024 0.000 0.842 369 D CB 0.635 41.451 40.800 0.026 0.000 0.947 369 D HN 0.012 nan 8.370 nan 0.000 0.509 370 V N 1.258 121.186 119.914 0.024 0.000 2.343 370 V HA -0.227 3.943 4.120 0.084 0.000 0.247 370 V C 1.774 177.884 176.094 0.026 0.000 1.051 370 V CA 1.706 64.021 62.300 0.025 0.000 1.036 370 V CB -0.206 31.631 31.823 0.023 0.000 0.654 370 V HN 0.117 nan 8.190 nan 0.000 0.451 371 D N -0.071 120.344 120.400 0.024 0.000 2.097 371 D HA -0.136 4.554 4.640 0.084 0.000 0.197 371 D C 2.218 178.534 176.300 0.026 0.000 0.984 371 D CA 1.147 55.161 54.000 0.024 0.000 0.826 371 D CB -0.253 40.560 40.800 0.021 0.000 0.973 371 D HN 0.399 nan 8.370 nan 0.000 0.460 372 K N 0.874 121.290 120.400 0.027 0.000 2.020 372 K HA -0.132 4.239 4.320 0.084 0.000 0.212 372 K C 2.181 178.800 176.600 0.032 0.000 1.050 372 K CA 1.502 57.806 56.287 0.029 0.000 0.929 372 K CB -0.212 32.306 32.500 0.030 0.000 0.714 372 K HN 0.045 nan 8.250 nan 0.000 0.443 373 A N 1.327 124.168 122.820 0.035 0.000 1.865 373 A HA -0.186 4.184 4.320 0.084 0.000 0.217 373 A C 2.184 179.792 177.584 0.041 0.000 1.191 373 A CA 1.518 53.578 52.037 0.039 0.000 0.623 373 A CB -0.832 18.190 19.000 0.038 0.000 0.826 373 A HN 0.195 nan 8.150 nan 0.000 0.444 374 L N -0.619 120.627 121.223 0.038 0.000 2.012 374 L HA -0.241 4.149 4.340 0.084 0.000 0.210 374 L C 2.676 179.573 176.870 0.045 0.000 1.073 374 L CA 2.089 56.954 54.840 0.042 0.000 0.748 374 L CB -0.459 41.622 42.059 0.036 0.000 0.891 374 L HN 0.528 nan 8.230 nan 0.000 0.431 375 K N 0.350 120.772 120.400 0.037 0.000 2.103 375 K HA -0.208 4.162 4.320 0.084 0.000 0.207 375 K C 2.091 178.710 176.600 0.033 0.000 1.048 375 K CA 1.404 57.711 56.287 0.032 0.000 0.930 375 K CB -0.083 32.432 32.500 0.025 0.000 0.716 375 K HN 0.280 nan 8.250 nan 0.000 0.444 376 A N 1.161 124.002 122.820 0.035 0.000 1.898 376 A HA -0.079 4.291 4.320 0.084 0.000 0.216 376 A C 2.090 179.697 177.584 0.038 0.000 1.181 376 A CA 1.231 53.283 52.037 0.026 0.000 0.620 376 A CB -0.524 18.493 19.000 0.029 0.000 0.819 376 A HN 0.320 nan 8.150 nan 0.000 0.442 377 L N -0.874 120.401 121.223 0.088 0.000 2.141 377 L HA -0.133 4.257 4.340 0.084 0.000 0.209 377 L C 2.581 179.570 176.870 0.198 0.000 1.094 377 L CA 1.010 55.970 54.840 0.200 0.000 0.763 377 L CB -0.423 41.757 42.059 0.202 0.000 0.908 377 L HN 0.227 nan 8.230 nan 0.000 0.437 378 K N 0.508 120.974 120.400 0.110 0.000 1.991 378 K HA -0.216 4.155 4.320 0.084 0.000 0.212 378 K C 2.220 178.854 176.600 0.055 0.000 1.049 378 K CA 1.512 57.849 56.287 0.084 0.000 0.932 378 K CB -0.306 32.225 32.500 0.053 0.000 0.717 378 K HN 0.206 nan 8.250 nan 0.000 0.441 379 R N 0.836 121.350 120.500 0.023 0.000 2.105 379 R HA -0.188 4.203 4.340 0.084 0.000 0.239 379 R C 2.040 178.305 176.300 -0.058 0.000 1.135 379 R CA 1.866 57.960 56.100 -0.011 0.000 0.967 379 R CB -0.068 30.223 30.300 -0.016 0.000 0.861 379 R HN 0.079 nan 8.270 nan 0.000 0.442 380 E N -0.427 119.708 120.200 -0.110 0.000 2.076 380 E HA -0.097 4.303 4.350 0.084 0.000 0.190 380 E C 1.182 177.522 176.600 -0.433 0.000 0.979 380 E CA 1.469 57.669 56.400 -0.332 0.000 0.807 380 E CB -0.076 29.311 29.700 -0.521 0.000 0.761 380 E HN 0.413 nan 8.360 nan 0.000 0.454 381 F N -0.565 119.382 119.950 -0.006 0.000 2.720 381 F HA 0.391 4.968 4.527 0.084 0.000 0.301 381 F C 1.361 177.161 175.800 -0.001 0.000 1.103 381 F CA 0.257 58.255 58.000 -0.004 0.000 1.291 381 F CB 0.613 39.609 39.000 -0.006 0.000 1.086 381 F HN 0.217 nan 8.300 nan 0.000 0.592 382 G N 0.896 109.776 108.800 0.134 0.000 2.697 382 G HA2 -0.189 3.821 3.960 0.084 0.000 0.240 382 G HA3 -0.189 3.821 3.960 0.084 0.000 0.240 382 G C -0.386 174.568 174.900 0.090 0.000 1.346 382 G CA -0.334 44.816 45.100 0.084 0.000 0.887 382 G HN 0.403 nan 8.290 nan 0.000 0.569 389 F N 0.013 119.965 119.950 0.003 0.000 2.699 389 F HA 0.426 5.004 4.527 0.084 0.000 0.298 389 F C 1.236 177.040 175.800 0.007 0.000 1.154 389 F CA 0.285 58.288 58.000 0.005 0.000 1.457 389 F CB -0.429 38.573 39.000 0.004 0.000 1.106 389 F HN 0.387 nan 8.300 nan 0.000 0.585 390 L N 0.547 121.377 121.223 -0.656 0.000 2.354 390 L HA 0.063 4.453 4.340 0.084 0.000 0.212 390 L C 0.794 177.538 176.870 -0.211 0.000 1.091 390 L CA -0.027 54.506 54.840 -0.512 0.000 0.828 390 L CB -0.589 41.094 42.059 -0.627 0.000 0.973 390 L HN 0.304 nan 8.230 nan 0.000 0.461 391 N N -1.496 117.116 118.700 -0.148 0.000 2.379 391 N HA -0.010 4.781 4.740 0.084 0.000 0.260 391 N C 0.251 175.746 175.510 -0.026 0.000 1.254 391 N CA -0.350 52.659 53.050 -0.069 0.000 0.958 391 N CB 0.146 38.603 38.487 -0.050 0.000 1.208 391 N HN -0.150 nan 8.380 nan 0.000 0.532 392 N N -0.827 117.871 118.700 -0.003 0.000 2.268 392 N HA 0.011 4.801 4.740 0.084 0.000 0.204 392 N C -0.586 174.948 175.510 0.040 0.000 1.124 392 N CA -0.127 52.936 53.050 0.021 0.000 0.838 392 N CB -0.496 38.005 38.487 0.023 0.000 0.994 392 N HN 0.539 nan 8.380 nan 0.000 0.489 393 N N 1.211 119.931 118.700 0.033 0.000 2.412 393 N HA -0.042 4.748 4.740 0.084 0.000 0.254 393 N C 0.835 176.366 175.510 0.036 0.000 1.232 393 N CA 0.001 53.078 53.050 0.044 0.000 0.880 393 N CB 0.940 39.442 38.487 0.026 0.000 1.076 393 N HN -0.024 nan 8.380 nan 0.000 0.458 394 L N 3.681 124.927 121.223 0.038 0.000 2.388 394 L HA 0.365 4.755 4.340 0.084 0.000 0.209 394 L C 0.346 177.128 176.870 -0.147 0.000 1.061 394 L CA 0.567 55.398 54.840 -0.015 0.000 0.834 394 L CB -0.138 41.965 42.059 0.073 0.000 1.029 394 L HN 0.529 nan 8.230 nan 0.000 0.473 395 I N -1.631 118.795 120.570 -0.240 0.000 2.441 395 I HA 0.274 4.495 4.170 0.084 0.000 0.295 395 I C 1.219 177.268 176.117 -0.114 0.000 0.994 395 I CA 0.113 61.237 61.300 -0.293 0.000 1.144 395 I CB 1.986 39.610 38.000 -0.626 0.000 1.314 395 I HN -0.045 nan 8.210 nan 0.000 0.445 396 R N 1.591 122.062 120.500 -0.047 0.000 2.103 396 R HA 0.221 4.611 4.340 0.084 0.000 0.212 396 R C -0.380 175.918 176.300 -0.003 0.000 1.107 396 R CA 0.551 56.646 56.100 -0.008 0.000 1.025 396 R CB 0.413 30.724 30.300 0.018 0.000 0.929 396 R HN 0.735 nan 8.270 nan 0.000 0.456 397 D N -1.786 118.650 120.400 0.060 0.000 2.710 397 D HA 0.232 4.922 4.640 0.084 0.000 0.276 397 D C -2.053 174.405 176.300 0.262 0.000 1.267 397 D CA -0.405 53.643 54.000 0.080 0.000 0.772 397 D CB 2.067 42.822 40.800 -0.076 0.000 1.299 397 D HN -0.114 nan 8.370 nan 0.000 0.421 398 V N 0.892 120.940 119.914 0.223 0.000 2.808 398 V HA 0.828 4.998 4.120 0.084 0.000 0.308 398 V C -1.400 174.829 176.094 0.224 0.000 1.099 398 V CA 0.035 62.471 62.300 0.227 0.000 0.920 398 V CB 1.728 33.598 31.823 0.078 0.000 1.014 398 V HN 0.762 nan 8.190 nan 0.000 0.425 399 S N 5.353 121.210 115.700 0.263 0.000 2.568 399 S HA 0.891 5.412 4.470 0.084 0.000 0.293 399 S C -0.757 173.901 174.600 0.097 0.000 1.089 399 S CA -0.224 58.091 58.200 0.191 0.000 0.945 399 S CB 1.674 65.047 63.200 0.288 0.000 1.077 399 S HN 2.055 nan 8.310 nan 0.000 0.485 400 V N 0.019 119.975 119.914 0.070 0.000 2.656 400 V HA 0.753 4.924 4.120 0.084 0.000 0.307 400 V C -1.817 174.301 176.094 0.042 0.000 1.051 400 V CA -0.577 61.750 62.300 0.045 0.000 0.893 400 V CB 1.889 33.732 31.823 0.034 0.000 0.999 400 V HN 1.008 nan 8.190 nan 0.000 0.426 401 D N 3.698 124.119 120.400 0.034 0.000 2.471 401 D HA 0.447 5.137 4.640 0.084 0.000 0.245 401 D C 0.414 176.729 176.300 0.025 0.000 1.116 401 D CA -0.378 53.641 54.000 0.031 0.000 0.853 401 D CB 2.172 42.992 40.800 0.033 0.000 1.123 401 D HN 0.710 nan 8.370 nan 0.000 0.540 402 K N 1.428 121.842 120.400 0.023 0.000 2.400 402 K HA 0.070 4.441 4.320 0.084 0.000 0.194 402 K C -0.148 176.462 176.600 0.018 0.000 1.033 402 K CA 0.170 56.469 56.287 0.019 0.000 1.021 402 K CB 0.659 33.170 32.500 0.017 0.000 0.808 402 K HN 0.281 nan 8.250 nan 0.000 0.505 403 D N 1.650 122.062 120.400 0.020 0.000 2.896 403 D HA 0.103 4.793 4.640 0.084 0.000 0.240 403 D C -0.866 175.448 176.300 0.022 0.000 1.193 403 D CA 0.258 54.270 54.000 0.019 0.000 0.983 403 D CB 0.474 41.286 40.800 0.020 0.000 1.074 403 D HN -0.177 nan 8.370 nan 0.000 0.496 404 V N 0.335 120.261 119.914 0.020 0.000 3.087 404 V HA 0.509 4.680 4.120 0.084 0.000 0.306 404 V C -0.644 175.458 176.094 0.014 0.000 1.187 404 V CA -0.788 61.525 62.300 0.022 0.000 0.999 404 V CB 2.719 34.556 31.823 0.023 0.000 1.049 404 V HN 0.587 nan 8.190 nan 0.000 0.431 405 C N 2.371 121.677 119.300 0.010 0.000 2.994 405 C HA 0.913 5.423 4.460 0.084 0.000 0.304 405 C C -0.749 174.220 174.990 -0.035 0.000 1.273 405 C CA -0.796 58.218 59.018 -0.008 0.000 1.537 405 C CB 0.909 28.644 27.740 -0.008 0.000 2.001 405 C HN 0.630 nan 8.230 nan 0.000 0.471 406 V N 2.705 122.585 119.914 -0.057 0.000 2.394 406 V HA 0.483 4.653 4.120 0.084 0.000 0.282 406 V C 0.086 176.045 176.094 -0.224 0.000 1.031 406 V CA -0.156 62.070 62.300 -0.123 0.000 0.881 406 V CB 1.133 32.934 31.823 -0.037 0.000 0.982 406 V HN 0.792 nan 8.190 nan 0.000 0.451 407 I N 3.483 123.750 120.570 -0.505 0.000 2.441 407 I HA 0.519 4.739 4.170 0.084 0.000 0.295 407 I C 0.044 175.731 176.117 -0.716 0.000 0.994 407 I CA -0.007 60.932 61.300 -0.602 0.000 1.144 407 I CB 2.018 39.636 38.000 -0.637 0.000 1.314 407 I HN 0.566 nan 8.210 nan 0.000 0.445 408 S N 4.498 119.970 115.700 -0.381 0.000 2.526 408 S HA 0.605 5.126 4.470 0.084 0.000 0.293 408 S C -0.610 173.905 174.600 -0.140 0.000 1.092 408 S CA -0.634 57.369 58.200 -0.330 0.000 0.980 408 S CB 2.455 65.401 63.200 -0.425 0.000 1.048 408 S HN 0.274 nan 8.310 nan 0.000 0.483 409 V N 3.103 122.958 119.914 -0.099 0.000 2.459 409 V HA 0.636 4.807 4.120 0.084 0.000 0.295 409 V C -0.704 175.333 176.094 -0.094 0.000 1.029 409 V CA -0.440 61.815 62.300 -0.076 0.000 0.874 409 V CB 1.797 33.565 31.823 -0.092 0.000 0.985 409 V HN 0.721 nan 8.190 nan 0.000 0.438 410 V N 3.305 123.176 119.914 -0.073 0.000 2.709 410 V HA 1.019 5.189 4.120 0.084 0.000 0.308 410 V C 0.207 176.262 176.094 -0.065 0.000 1.062 410 V CA -0.119 62.153 62.300 -0.047 0.000 0.901 410 V CB 1.822 33.652 31.823 0.011 0.000 1.003 410 V HN 1.106 nan 8.190 nan 0.000 0.425 411 G N 2.110 110.872 108.800 -0.062 0.000 2.473 411 G HA2 0.660 4.670 3.960 0.084 0.000 0.298 411 G HA3 0.660 4.670 3.960 0.084 0.000 0.298 411 G C -0.659 174.211 174.900 -0.050 0.000 1.575 411 G CA -0.109 44.955 45.100 -0.061 0.000 0.846 411 G HN 1.170 nan 8.290 nan 0.000 0.585 412 A N -0.299 122.498 122.820 -0.039 0.000 2.587 412 A HA 0.539 4.909 4.320 0.084 0.000 0.235 412 A C 1.784 179.345 177.584 -0.038 0.000 1.044 412 A CA 1.843 53.861 52.037 -0.032 0.000 0.754 412 A CB -0.122 18.861 19.000 -0.028 0.000 0.968 412 A HN 2.897 nan 8.150 nan 0.000 0.509 413 G N 1.292 110.073 108.800 -0.031 0.000 2.176 413 G HA2 -0.310 3.700 3.960 0.084 0.000 0.253 413 G HA3 -0.310 3.700 3.960 0.084 0.000 0.253 413 G C 0.819 175.694 174.900 -0.040 0.000 0.979 413 G CA 1.095 46.175 45.100 -0.032 0.000 0.641 413 G HN 1.051 nan 8.290 nan 0.000 0.530 414 M N 0.567 120.137 119.600 -0.050 0.000 2.180 414 M HA 0.004 4.534 4.480 0.084 0.000 0.260 414 M C 2.458 178.729 176.300 -0.049 0.000 1.071 414 M CA 3.004 58.264 55.300 -0.066 0.000 1.096 414 M CB -0.497 32.061 32.600 -0.070 0.000 1.276 414 M HN 0.340 nan 8.290 nan 0.000 0.426 415 R N -0.761 119.721 120.500 -0.031 0.000 2.117 415 R HA -0.146 4.244 4.340 0.084 0.000 0.243 415 R C 1.893 178.184 176.300 -0.015 0.000 1.143 415 R CA 1.756 57.846 56.100 -0.017 0.000 0.968 415 R CB -0.844 29.451 30.300 -0.007 0.000 0.863 415 R HN 0.620 nan 8.270 nan 0.000 0.444 416 G N -0.542 108.248 108.800 -0.017 0.000 2.683 416 G HA2 0.119 4.130 3.960 0.084 0.000 0.213 416 G HA3 0.119 4.130 3.960 0.084 0.000 0.213 416 G C 0.128 175.019 174.900 -0.016 0.000 1.142 416 G CA 0.304 45.396 45.100 -0.013 0.000 0.793 416 G HN 0.420 nan 8.290 nan 0.000 0.534 417 A N 0.487 123.292 122.820 -0.024 0.000 2.362 417 A HA 0.542 4.912 4.320 0.084 0.000 0.276 417 A C 0.313 177.884 177.584 -0.021 0.000 1.153 417 A CA -0.404 51.617 52.037 -0.025 0.000 0.813 417 A CB 0.393 19.370 19.000 -0.038 0.000 1.081 417 A HN 0.234 nan 8.150 nan 0.000 0.507 418 K N 1.897 122.289 120.400 -0.013 0.000 2.298 418 K HA 0.433 4.803 4.320 0.084 0.000 0.280 418 K C 1.208 177.804 176.600 -0.006 0.000 1.032 418 K CA 0.944 57.227 56.287 -0.007 0.000 0.958 418 K CB 0.263 32.762 32.500 -0.003 0.000 0.978 418 K HN 1.427 nan 8.250 nan 0.000 0.472 419 G N 3.699 112.496 108.800 -0.004 0.000 2.225 419 G HA2 -0.293 3.718 3.960 0.084 0.000 0.254 419 G HA3 -0.293 3.718 3.960 0.084 0.000 0.254 419 G C 0.644 175.539 174.900 -0.008 0.000 0.988 419 G CA 0.327 45.427 45.100 0.000 0.000 0.625 419 G HN 0.636 nan 8.290 nan 0.000 0.527 420 I N 1.879 122.431 120.570 -0.031 0.000 2.315 420 I HA 0.254 4.474 4.170 0.084 0.000 0.248 420 I C 2.937 178.968 176.117 -0.143 0.000 1.117 420 I CA 2.445 63.705 61.300 -0.067 0.000 1.404 420 I CB -0.528 37.404 38.000 -0.113 0.000 1.071 420 I HN 0.497 nan 8.210 nan 0.000 0.419 421 A N 0.140 122.870 122.820 -0.150 0.000 1.908 421 A HA -0.120 4.250 4.320 0.084 0.000 0.218 421 A C 2.452 179.905 177.584 -0.219 0.000 1.181 421 A CA 1.778 53.660 52.037 -0.258 0.000 0.627 421 A CB -1.716 17.271 19.000 -0.021 0.000 0.818 421 A HN 0.484 nan 8.150 nan 0.000 0.445 422 G N -0.344 108.433 108.800 -0.038 0.000 2.459 422 G HA2 -0.267 3.743 3.960 0.084 0.000 0.217 422 G HA3 -0.267 3.743 3.960 0.084 0.000 0.217 422 G C 1.689 176.585 174.900 -0.007 0.000 1.183 422 G CA 1.199 46.310 45.100 0.019 0.000 0.776 422 G HN 0.576 nan 8.290 nan 0.000 0.552 423 K N -0.168 120.233 120.400 0.001 0.000 2.063 423 K HA 0.021 4.392 4.320 0.084 0.000 0.208 423 K C 2.466 179.122 176.600 0.094 0.000 1.048 423 K CA 0.974 57.297 56.287 0.061 0.000 0.928 423 K CB -0.237 32.365 32.500 0.171 0.000 0.713 423 K HN 0.342 nan 8.250 nan 0.000 0.442 424 I N -0.029 120.531 120.570 -0.016 0.000 2.179 424 I HA -0.265 3.955 4.170 0.084 0.000 0.242 424 I C 1.858 177.827 176.117 -0.247 0.000 1.088 424 I CA 1.557 62.767 61.300 -0.150 0.000 1.357 424 I CB -0.203 37.458 38.000 -0.563 0.000 1.051 424 I HN 0.093 nan 8.210 nan 0.000 0.409 425 F N 0.096 119.989 119.950 -0.094 0.000 2.456 425 F HA -0.134 4.443 4.527 0.083 0.000 0.298 425 F C 2.835 178.572 175.800 -0.105 0.000 1.104 425 F CA 0.980 58.872 58.000 -0.179 0.000 1.435 425 F CB -0.569 38.321 39.000 -0.183 0.000 1.078 425 F HN 0.152 nan 8.300 nan 0.000 0.546 426 T N -1.079 113.523 114.554 0.079 0.000 2.857 426 T HA -0.075 4.326 4.350 0.084 0.000 0.266 426 T C 2.181 176.888 174.700 0.012 0.000 1.048 426 T CA 0.987 63.109 62.100 0.037 0.000 1.139 426 T CB -0.463 68.415 68.868 0.016 0.000 0.874 426 T HN 0.168 nan 8.240 nan 0.000 0.455 427 A N 1.304 124.122 122.820 -0.003 0.000 1.892 427 A HA -0.006 4.364 4.320 0.084 0.000 0.218 427 A C 2.677 180.278 177.584 0.028 0.000 1.188 427 A CA 2.067 54.098 52.037 -0.010 0.000 0.631 427 A CB -1.329 17.659 19.000 -0.021 0.000 0.822 427 A HN 0.455 nan 8.150 nan 0.000 0.447 428 V N -0.406 119.530 119.914 0.037 0.000 2.324 428 V HA -0.246 3.925 4.120 0.084 0.000 0.250 428 V C 2.818 178.937 176.094 0.042 0.000 1.060 428 V CA 2.439 64.766 62.300 0.046 0.000 1.042 428 V CB -0.819 30.972 31.823 -0.052 0.000 0.650 428 V HN 0.673 nan 8.190 nan 0.000 0.450 429 S N -0.677 115.039 115.700 0.028 0.000 2.383 429 S HA -0.192 4.328 4.470 0.084 0.000 0.227 429 S C 1.866 176.478 174.600 0.019 0.000 1.026 429 S CA 1.510 59.722 58.200 0.020 0.000 0.981 429 S CB -0.276 62.933 63.200 0.016 0.000 0.818 429 S HN 0.732 nan 8.310 nan 0.000 0.472 430 E N 0.783 120.992 120.200 0.015 0.000 2.409 430 E HA -0.053 4.348 4.350 0.084 0.000 0.198 430 E C 1.891 178.502 176.600 0.017 0.000 1.024 430 E CA 0.959 57.364 56.400 0.009 0.000 0.861 430 E CB -0.040 29.656 29.700 -0.006 0.000 0.788 430 E HN 0.695 nan 8.360 nan 0.000 0.521 431 S N -1.206 114.514 115.700 0.032 0.000 2.524 431 S HA 0.178 4.698 4.470 0.084 0.000 0.216 431 S C 1.593 176.217 174.600 0.040 0.000 0.987 431 S CA 0.355 58.581 58.200 0.043 0.000 0.909 431 S CB 0.692 63.932 63.200 0.067 0.000 0.781 431 S HN 0.322 nan 8.310 nan 0.000 0.521 432 G N 0.528 109.349 108.800 0.035 0.000 2.195 432 G HA2 -0.025 3.986 3.960 0.084 0.000 0.224 432 G HA3 -0.025 3.986 3.960 0.084 0.000 0.224 432 G C 0.224 175.146 174.900 0.038 0.000 0.990 432 G CA -0.162 44.957 45.100 0.032 0.000 0.639 432 G HN 1.181 nan 8.290 nan 0.000 0.514 433 A N -0.169 122.682 122.820 0.052 0.000 2.322 433 A HA 0.688 5.058 4.320 0.084 0.000 0.269 433 A C 0.159 177.769 177.584 0.044 0.000 1.094 433 A CA -0.068 52.007 52.037 0.063 0.000 0.807 433 A CB 0.621 19.685 19.000 0.107 0.000 1.047 433 A HN 0.397 nan 8.150 nan 0.000 0.487 434 N N 0.986 119.712 118.700 0.044 0.000 2.372 434 N HA 0.403 5.194 4.740 0.084 0.000 0.285 434 N C -1.042 174.485 175.510 0.027 0.000 1.008 434 N CA -0.359 52.703 53.050 0.022 0.000 0.880 434 N CB 0.895 39.393 38.487 0.018 0.000 1.239 434 N HN 0.535 nan 8.380 nan 0.000 0.484 435 I N 3.430 123.991 120.570 -0.015 0.000 2.396 435 I HA 0.096 4.316 4.170 0.084 0.000 0.289 435 I C 1.488 177.592 176.117 -0.021 0.000 1.056 435 I CA 0.005 61.292 61.300 -0.022 0.000 1.365 435 I CB 0.958 38.849 38.000 -0.180 0.000 1.407 435 I HN 0.378 nan 8.210 nan 0.000 0.509 436 K N 5.651 126.067 120.400 0.026 0.000 2.334 436 K HA 0.333 4.704 4.320 0.084 0.000 0.195 436 K C 0.194 176.796 176.600 0.002 0.000 1.045 436 K CA 0.564 56.860 56.287 0.015 0.000 1.004 436 K CB 0.715 33.236 32.500 0.034 0.000 0.837 436 K HN 0.581 nan 8.250 nan 0.000 0.510 437 M N 0.900 120.509 119.600 0.015 0.000 2.449 437 M HA 0.331 4.861 4.480 0.084 0.000 0.291 437 M C -2.113 174.206 176.300 0.033 0.000 1.148 437 M CA -0.449 54.856 55.300 0.009 0.000 0.925 437 M CB 1.860 34.475 32.600 0.024 0.000 1.767 437 M HN -0.127 nan 8.290 nan 0.000 0.503 438 I N 2.977 123.545 120.570 -0.003 0.000 2.465 438 I HA 0.702 4.923 4.170 0.084 0.000 0.291 438 I C -0.420 175.736 176.117 0.064 0.000 1.014 438 I CA -0.763 60.556 61.300 0.032 0.000 1.093 438 I CB 2.136 40.062 38.000 -0.123 0.000 1.267 438 I HN 0.760 nan 8.210 nan 0.000 0.431 439 A N 6.372 129.253 122.820 0.103 0.000 2.287 439 A HA 0.749 5.119 4.320 0.084 0.000 0.317 439 A C -0.774 176.866 177.584 0.093 0.000 1.220 439 A CA -0.404 51.681 52.037 0.080 0.000 0.835 439 A CB 1.384 20.422 19.000 0.064 0.000 1.180 439 A HN 0.648 nan 8.150 nan 0.000 0.500 440 Q N 1.487 121.336 119.800 0.082 0.000 2.320 440 Q HA 0.517 4.907 4.340 0.084 0.000 0.272 440 Q C 0.081 176.112 176.000 0.051 0.000 1.023 440 Q CA 0.435 56.283 55.803 0.074 0.000 0.855 440 Q CB 1.751 30.555 28.738 0.111 0.000 1.367 440 Q HN 1.745 nan 8.270 nan 0.000 0.406 441 G N 1.791 110.614 108.800 0.037 0.000 2.905 441 G HA2 -0.243 3.767 3.960 0.084 0.000 0.196 441 G HA3 -0.243 3.767 3.960 0.084 0.000 0.196 441 G C 0.584 175.496 174.900 0.020 0.000 1.044 441 G CA 0.616 45.732 45.100 0.027 0.000 0.778 441 G HN 0.868 nan 8.290 nan 0.000 0.474 442 S N -0.342 115.373 115.700 0.026 0.000 2.528 442 S HA 0.538 5.059 4.470 0.084 0.000 0.219 442 S C 0.886 175.496 174.600 0.016 0.000 0.985 442 S CA 1.199 59.410 58.200 0.019 0.000 0.914 442 S CB 0.530 63.744 63.200 0.024 0.000 0.776 442 S HN 1.193 nan 8.310 nan 0.000 0.526 443 S N 0.628 116.342 115.700 0.023 0.000 2.482 443 S HA 0.349 4.869 4.470 0.084 0.000 0.303 443 S C 0.555 175.160 174.600 0.008 0.000 1.091 443 S CA -0.666 57.545 58.200 0.019 0.000 1.057 443 S CB 1.596 64.822 63.200 0.044 0.000 1.031 443 S HN 0.372 nan 8.310 nan 0.000 0.485 444 E N 2.527 122.728 120.200 0.003 0.000 2.268 444 E HA -0.078 4.322 4.350 0.084 0.000 0.195 444 E C 1.131 177.726 176.600 -0.009 0.000 0.995 444 E CA 1.579 57.978 56.400 -0.003 0.000 0.836 444 E CB 0.165 29.864 29.700 -0.003 0.000 0.763 444 E HN 0.629 nan 8.360 nan 0.000 0.491 445 V N -1.782 118.130 119.914 -0.004 0.000 3.398 445 V HA 0.359 4.529 4.120 0.084 0.000 0.298 445 V C -0.231 175.852 176.094 -0.018 0.000 1.496 445 V CA -0.401 61.892 62.300 -0.012 0.000 1.044 445 V CB 0.055 31.877 31.823 -0.002 0.000 0.880 445 V HN 0.044 nan 8.190 nan 0.000 0.443 446 N N 0.279 118.970 118.700 -0.015 0.000 2.310 446 N HA 0.666 5.456 4.740 0.084 0.000 0.292 446 N C -1.427 174.045 175.510 -0.063 0.000 1.049 446 N CA -0.546 52.480 53.050 -0.041 0.000 0.849 446 N CB 2.167 40.654 38.487 0.001 0.000 1.532 446 N HN 0.309 nan 8.380 nan 0.000 0.479 447 I N 1.967 122.488 120.570 -0.082 0.000 2.406 447 I HA 0.414 4.634 4.170 0.084 0.000 0.290 447 I C -0.472 175.622 176.117 -0.039 0.000 0.999 447 I CA -0.570 60.717 61.300 -0.021 0.000 1.124 447 I CB 1.861 39.867 38.000 0.009 0.000 1.289 447 I HN 0.446 nan 8.210 nan 0.000 0.441 448 S N 5.956 121.628 115.700 -0.047 0.000 2.542 448 S HA 0.847 5.367 4.470 0.084 0.000 0.293 448 S C -0.820 173.841 174.600 0.102 0.000 1.089 448 S CA -0.605 57.479 58.200 -0.193 0.000 0.961 448 S CB 1.944 64.828 63.200 -0.528 0.000 1.062 448 S HN 0.513 nan 8.310 nan 0.000 0.483 449 F N -1.176 118.770 119.950 -0.007 0.000 2.713 449 F HA 0.829 5.407 4.527 0.085 0.000 0.311 449 F C -1.769 174.043 175.800 0.019 0.000 1.141 449 F CA -1.227 56.792 58.000 0.032 0.000 0.939 449 F CB 0.720 39.795 39.000 0.125 0.000 1.325 449 F HN 0.289 nan 8.300 nan 0.000 0.453 450 V N 3.061 123.096 119.914 0.201 0.000 2.495 450 V HA 0.715 4.885 4.120 0.084 0.000 0.298 450 V C -0.018 176.180 176.094 0.172 0.000 1.031 450 V CA -0.607 61.750 62.300 0.095 0.000 0.871 450 V CB 1.463 33.320 31.823 0.056 0.000 0.988 450 V HN 0.890 nan 8.190 nan 0.000 0.432 451 I N -0.544 120.105 120.570 0.131 0.000 3.322 451 I HA 0.676 4.896 4.170 0.084 0.000 0.313 451 I C -0.630 175.532 176.117 0.074 0.000 1.129 451 I CA -1.083 60.295 61.300 0.129 0.000 0.963 451 I CB 1.993 40.106 38.000 0.188 0.000 1.273 451 I HN 0.363 nan 8.210 nan 0.000 0.473 452 D N 2.101 122.540 120.400 0.065 0.000 2.455 452 D HA -0.020 4.670 4.640 0.084 0.000 0.241 452 D C 0.633 176.959 176.300 0.043 0.000 1.138 452 D CA 0.476 54.504 54.000 0.046 0.000 0.877 452 D CB 1.704 42.528 40.800 0.041 0.000 1.187 452 D HN 0.716 nan 8.370 nan 0.000 0.451 453 E N 2.171 122.390 120.200 0.032 0.000 2.097 453 E HA -0.265 4.135 4.350 0.084 0.000 0.196 453 E C 1.852 178.468 176.600 0.027 0.000 1.000 453 E CA 1.515 57.930 56.400 0.025 0.000 0.804 453 E CB 0.142 29.853 29.700 0.019 0.000 0.740 453 E HN 0.468 nan 8.360 nan 0.000 0.454 454 K N -0.142 120.275 120.400 0.027 0.000 2.281 454 K HA -0.160 4.210 4.320 0.084 0.000 0.203 454 K C 0.859 177.478 176.600 0.032 0.000 1.046 454 K CA 1.748 58.051 56.287 0.026 0.000 0.938 454 K CB 0.136 32.650 32.500 0.024 0.000 0.737 454 K HN 0.049 nan 8.250 nan 0.000 0.458 455 D N 0.872 121.298 120.400 0.043 0.000 2.349 455 D HA 0.034 4.725 4.640 0.084 0.000 0.214 455 D C 1.571 177.910 176.300 0.064 0.000 1.063 455 D CA -0.029 54.004 54.000 0.055 0.000 0.847 455 D CB 0.257 41.097 40.800 0.067 0.000 0.933 455 D HN 0.204 nan 8.370 nan 0.000 0.513 456 L N 0.376 121.629 121.223 0.051 0.000 1.956 456 L HA -0.209 4.182 4.340 0.084 0.000 0.216 456 L C 2.261 179.160 176.870 0.049 0.000 1.073 456 L CA 1.353 56.221 54.840 0.047 0.000 0.762 456 L CB -0.196 41.880 42.059 0.027 0.000 0.889 456 L HN 0.022 nan 8.230 nan 0.000 0.433 457 L N -0.081 121.164 121.223 0.035 0.000 2.012 457 L HA -0.293 4.097 4.340 0.084 0.000 0.210 457 L C 2.434 179.329 176.870 0.042 0.000 1.073 457 L CA 1.601 56.458 54.840 0.030 0.000 0.748 457 L CB -0.592 41.478 42.059 0.018 0.000 0.891 457 L HN 0.456 nan 8.230 nan 0.000 0.431 458 N N -0.948 117.780 118.700 0.047 0.000 2.120 458 N HA -0.219 4.571 4.740 0.084 0.000 0.188 458 N C 1.831 177.385 175.510 0.074 0.000 1.024 458 N CA 1.604 54.685 53.050 0.052 0.000 0.852 458 N CB -0.822 37.693 38.487 0.046 0.000 1.003 458 N HN 0.430 nan 8.380 nan 0.000 0.424 459 C N 0.340 119.698 119.300 0.097 0.000 2.446 459 C HA 0.040 4.550 4.460 0.084 0.000 0.277 459 C C 2.713 177.799 174.990 0.159 0.000 1.275 459 C CA 0.341 59.444 59.018 0.142 0.000 1.727 459 C CB -0.947 26.909 27.740 0.192 0.000 2.010 459 C HN 0.189 nan 8.230 nan 0.000 0.486 460 V N 1.315 121.307 119.914 0.129 0.000 2.255 460 V HA -0.221 3.949 4.120 0.084 0.000 0.247 460 V C 2.722 178.899 176.094 0.139 0.000 1.051 460 V CA 2.425 64.802 62.300 0.128 0.000 1.018 460 V CB -0.811 31.057 31.823 0.076 0.000 0.641 460 V HN 0.517 nan 8.190 nan 0.000 0.445 461 R N 0.025 120.581 120.500 0.094 0.000 2.096 461 R HA -0.261 4.129 4.340 0.084 0.000 0.240 461 R C 2.418 178.791 176.300 0.122 0.000 1.139 461 R CA 2.075 58.229 56.100 0.090 0.000 0.952 461 R CB -0.410 29.921 30.300 0.051 0.000 0.854 461 R HN 0.348 nan 8.270 nan 0.000 0.436 462 K N 0.530 120.990 120.400 0.101 0.000 2.097 462 K HA -0.116 4.254 4.320 0.084 0.000 0.206 462 K C 1.766 178.417 176.600 0.085 0.000 1.049 462 K CA 1.098 57.429 56.287 0.074 0.000 0.933 462 K CB -0.154 32.382 32.500 0.060 0.000 0.717 462 K HN -0.027 nan 8.250 nan 0.000 0.442 463 L N 0.556 121.878 121.223 0.166 0.000 2.093 463 L HA -0.130 4.261 4.340 0.084 0.000 0.208 463 L C 2.424 179.457 176.870 0.272 0.000 1.085 463 L CA 1.780 56.777 54.840 0.263 0.000 0.755 463 L CB -1.002 41.249 42.059 0.319 0.000 0.904 463 L HN 0.444 nan 8.230 nan 0.000 0.435 464 H N -0.415 118.737 119.070 0.137 0.000 2.357 464 H HA -0.110 4.497 4.556 0.085 0.000 0.301 464 H C 2.048 177.417 175.328 0.069 0.000 1.082 464 H CA 1.512 57.629 56.048 0.115 0.000 1.342 464 H CB 0.504 30.319 29.762 0.087 0.000 1.389 464 H HN 0.404 nan 8.280 nan 0.000 0.511 465 E N 0.654 120.935 120.200 0.134 0.000 2.033 465 E HA -0.204 4.197 4.350 0.084 0.000 0.199 465 E C 2.363 178.919 176.600 -0.074 0.000 1.011 465 E CA 1.150 57.570 56.400 0.033 0.000 0.815 465 E CB 0.011 29.721 29.700 0.017 0.000 0.755 465 E HN 0.313 nan 8.360 nan 0.000 0.451 466 K N -0.538 119.759 120.400 -0.172 0.000 2.097 466 K HA -0.113 4.257 4.320 0.084 0.000 0.205 466 K C 1.858 178.188 176.600 -0.449 0.000 1.050 466 K CA 1.101 57.147 56.287 -0.402 0.000 0.938 466 K CB 0.049 32.133 32.500 -0.693 0.000 0.718 466 K HN 0.042 nan 8.250 nan 0.000 0.442 467 F N -0.629 119.283 119.950 -0.065 0.000 2.622 467 F HA 0.103 4.680 4.527 0.083 0.000 0.288 467 F C 1.710 177.434 175.800 -0.126 0.000 1.120 467 F CA 0.062 58.011 58.000 -0.084 0.000 1.423 467 F CB 0.142 39.098 39.000 -0.073 0.000 1.127 467 F HN -0.087 nan 8.300 nan 0.000 0.588 468 I N -0.328 120.209 120.570 -0.055 0.000 2.947 468 I HA 0.003 4.223 4.170 0.084 0.000 0.263 468 I C 1.649 177.691 176.117 -0.124 0.000 1.130 468 I CA 1.009 62.197 61.300 -0.187 0.000 1.448 468 I CB -0.408 37.239 38.000 -0.587 0.000 1.222 468 I HN -0.065 nan 8.210 nan 0.000 0.453 469 E N 0.717 120.853 120.200 -0.108 0.000 2.478 469 E HA 0.050 4.451 4.350 0.084 0.000 0.194 469 E C 0.095 176.678 176.600 -0.028 0.000 1.045 469 E CA -0.093 56.290 56.400 -0.028 0.000 0.868 469 E CB 0.064 29.782 29.700 0.029 0.000 0.885 469 E HN 0.265 nan 8.360 nan 0.000 0.505 470 K N 0.000 120.370 120.400 -0.049 0.000 2.780 470 K HA 0.000 4.370 4.320 0.084 0.000 0.191 470 K CA 0.000 56.253 56.287 -0.057 0.000 0.838 470 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 470 K HN 0.000 nan 8.250 nan 0.000 0.543