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 3c20_1_A 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 0.000 174.715 174.700 0.025 0.000 1.109 2 T CA 0.000 62.109 62.100 0.015 0.000 1.349 2 T CB 0.000 68.872 68.868 0.006 0.000 0.612 3 T N 2.683 117.258 114.554 0.035 0.000 2.806 3 T HA 0.551 4.902 4.350 0.002 0.000 0.290 3 T C 0.253 174.988 174.700 0.058 0.000 0.966 3 T CA -0.527 61.604 62.100 0.052 0.000 1.060 3 T CB 1.124 70.033 68.868 0.068 0.000 0.927 3 T HN 0.372 nan 8.240 nan 0.000 0.485 4 V N 5.333 125.284 119.914 0.062 0.000 2.357 4 V HA 0.412 4.534 4.120 0.002 0.000 0.284 4 V C -0.145 175.998 176.094 0.082 0.000 1.018 4 V CA -0.609 61.730 62.300 0.065 0.000 0.841 4 V CB 1.037 32.890 31.823 0.050 0.000 0.991 4 V HN 0.871 nan 8.190 nan 0.000 0.437 5 M N 5.872 125.535 119.600 0.104 0.000 2.114 5 M HA 0.488 4.970 4.480 0.002 0.000 0.332 5 M C -0.371 175.948 176.300 0.033 0.000 1.014 5 M CA -0.339 55.023 55.300 0.102 0.000 0.956 5 M CB 1.620 34.321 32.600 0.168 0.000 1.551 5 M HN 0.409 nan 8.290 nan 0.000 0.427 6 K N 3.752 124.093 120.400 -0.098 0.000 2.164 6 K HA 0.633 4.954 4.320 0.002 0.000 0.258 6 K C -1.929 174.491 176.600 -0.300 0.000 0.951 6 K CA -0.184 56.067 56.287 -0.060 0.000 0.844 6 K CB 1.201 33.708 32.500 0.012 0.000 1.099 6 K HN 0.552 nan 8.250 nan 0.000 0.435 7 F N 0.580 120.600 119.950 0.116 0.000 2.547 7 F HA 0.384 4.912 4.527 0.002 0.000 0.316 7 F C 0.882 176.735 175.800 0.089 0.000 1.121 7 F CA -0.706 57.357 58.000 0.105 0.000 0.911 7 F CB 2.121 41.139 39.000 0.030 0.000 1.179 7 F HN 0.635 nan 8.300 nan 0.000 0.443 8 G N 0.615 109.563 108.800 0.248 0.000 2.547 8 G HA2 0.409 4.370 3.960 0.002 0.000 0.291 8 G HA3 0.409 4.370 3.960 0.002 0.000 0.291 8 G C 0.997 175.994 174.900 0.162 0.000 1.211 8 G CA -0.231 44.971 45.100 0.169 0.000 0.950 8 G HN 0.893 nan 8.290 nan 0.000 0.504 9 G N -0.740 108.127 108.800 0.111 0.000 2.513 9 G HA2 -0.281 3.680 3.960 0.002 0.000 0.219 9 G HA3 -0.281 3.680 3.960 0.002 0.000 0.219 9 G C 1.905 176.881 174.900 0.126 0.000 1.160 9 G CA 2.399 47.556 45.100 0.095 0.000 0.767 9 G HN 1.027 nan 8.290 nan 0.000 0.571 10 T N -2.149 112.501 114.554 0.161 0.000 2.951 10 T HA 0.032 4.383 4.350 0.002 0.000 0.268 10 T C 2.428 177.339 174.700 0.352 0.000 1.073 10 T CA 1.671 63.906 62.100 0.224 0.000 1.134 10 T CB -0.205 68.799 68.868 0.225 0.000 0.884 10 T HN 0.139 nan 8.240 nan 0.000 0.479 11 S N 1.250 117.120 115.700 0.284 0.000 2.423 11 S HA 0.036 4.507 4.470 0.002 0.000 0.231 11 S C 1.630 176.307 174.600 0.128 0.000 1.014 11 S CA 1.076 59.389 58.200 0.189 0.000 0.965 11 S CB -0.181 63.174 63.200 0.260 0.000 0.785 11 S HN 0.723 nan 8.310 nan 0.000 0.495 12 V N -1.008 118.980 119.914 0.124 0.000 2.940 12 V HA 0.579 4.700 4.120 0.002 0.000 0.366 12 V C 1.315 177.445 176.094 0.060 0.000 1.353 12 V CA 0.086 62.420 62.300 0.057 0.000 1.232 12 V CB -0.135 31.705 31.823 0.028 0.000 1.278 12 V HN 0.249 nan 8.190 nan 0.000 0.546 13 G N 1.326 110.186 108.800 0.099 0.000 2.509 13 G HA2 0.186 4.147 3.960 0.002 0.000 0.218 13 G HA3 0.186 4.147 3.960 0.002 0.000 0.218 13 G C 0.587 175.496 174.900 0.016 0.000 1.124 13 G CA 0.995 46.134 45.100 0.065 0.000 0.776 13 G HN 0.999 nan 8.290 nan 0.000 0.547 14 S N -3.098 112.614 115.700 0.021 0.000 2.596 14 S HA 0.570 5.041 4.470 0.002 0.000 0.270 14 S C 1.130 175.725 174.600 -0.008 0.000 1.155 14 S CA 0.192 58.386 58.200 -0.011 0.000 0.827 14 S CB 1.223 64.425 63.200 0.004 0.000 1.130 14 S HN 0.341 nan 8.310 nan 0.000 0.467 15 G N 0.750 109.537 108.800 -0.022 0.000 2.491 15 G HA2 -0.250 3.712 3.960 0.002 0.000 0.218 15 G HA3 -0.250 3.712 3.960 0.002 0.000 0.218 15 G C 1.007 175.905 174.900 -0.003 0.000 1.180 15 G CA 1.329 46.420 45.100 -0.015 0.000 0.774 15 G HN 0.917 nan 8.290 nan 0.000 0.562 16 E N 0.090 120.294 120.200 0.006 0.000 2.070 16 E HA -0.194 4.158 4.350 0.002 0.000 0.197 16 E C 2.710 179.336 176.600 0.044 0.000 1.004 16 E CA 1.033 57.444 56.400 0.020 0.000 0.805 16 E CB -0.079 29.632 29.700 0.018 0.000 0.744 16 E HN 0.415 nan 8.360 nan 0.000 0.451 17 R N -0.129 120.406 120.500 0.058 0.000 2.092 17 R HA -0.079 4.262 4.340 0.002 0.000 0.231 17 R C 2.495 178.814 176.300 0.033 0.000 1.119 17 R CA 1.231 57.389 56.100 0.097 0.000 0.970 17 R CB -0.240 30.152 30.300 0.153 0.000 0.864 17 R HN 0.281 nan 8.270 nan 0.000 0.440 18 I N 0.308 120.870 120.570 -0.014 0.000 2.179 18 I HA -0.308 3.863 4.170 0.002 0.000 0.242 18 I C 2.721 178.772 176.117 -0.111 0.000 1.088 18 I CA 1.309 62.560 61.300 -0.081 0.000 1.357 18 I CB -0.270 37.697 38.000 -0.056 0.000 1.051 18 I HN 0.119 nan 8.210 nan 0.000 0.409 19 R N -0.023 120.444 120.500 -0.055 0.000 2.105 19 R HA -0.275 4.066 4.340 0.002 0.000 0.239 19 R C 2.481 178.739 176.300 -0.070 0.000 1.135 19 R CA 1.942 58.007 56.100 -0.059 0.000 0.967 19 R CB -0.358 29.930 30.300 -0.021 0.000 0.861 19 R HN 0.420 nan 8.270 nan 0.000 0.442 20 H N -0.139 118.856 119.070 -0.125 0.000 2.321 20 H HA -0.116 4.441 4.556 0.002 0.000 0.300 20 H C 1.908 177.090 175.328 -0.244 0.000 1.087 20 H CA 2.018 57.983 56.048 -0.138 0.000 1.319 20 H CB -0.297 29.413 29.762 -0.087 0.000 1.379 20 H HN 0.125 nan 8.280 nan 0.000 0.501 21 V N 0.365 120.034 119.914 -0.407 0.000 2.427 21 V HA -0.133 3.988 4.120 0.002 0.000 0.248 21 V C 2.338 178.038 176.094 -0.656 0.000 1.051 21 V CA 1.938 63.789 62.300 -0.748 0.000 1.048 21 V CB -1.307 29.833 31.823 -1.140 0.000 0.666 21 V HN 0.615 nan 8.190 nan 0.000 0.456 22 A N 0.230 122.792 122.820 -0.431 0.000 1.917 22 A HA -0.292 4.030 4.320 0.002 0.000 0.219 22 A C 2.257 179.683 177.584 -0.263 0.000 1.182 22 A CA 2.488 54.345 52.037 -0.301 0.000 0.633 22 A CB -0.698 18.186 19.000 -0.194 0.000 0.819 22 A HN 0.664 nan 8.150 nan 0.000 0.448 23 K N -0.533 119.709 120.400 -0.264 0.000 2.002 23 K HA -0.065 4.257 4.320 0.002 0.000 0.209 23 K C 1.825 178.261 176.600 -0.274 0.000 1.048 23 K CA 1.615 57.766 56.287 -0.227 0.000 0.930 23 K CB -0.406 31.978 32.500 -0.193 0.000 0.714 23 K HN 0.538 nan 8.250 nan 0.000 0.438 24 I N 0.630 120.945 120.570 -0.425 0.000 2.151 24 I HA -0.345 3.826 4.170 0.002 0.000 0.243 24 I C 2.203 178.133 176.117 -0.311 0.000 1.080 24 I CA 1.282 62.313 61.300 -0.448 0.000 1.339 24 I CB -0.355 37.206 38.000 -0.731 0.000 1.039 24 I HN -0.007 nan 8.210 nan 0.000 0.409 25 V N 0.218 119.952 119.914 -0.299 0.000 2.307 25 V HA -0.285 3.837 4.120 0.002 0.000 0.245 25 V C 2.488 178.514 176.094 -0.113 0.000 1.045 25 V CA 2.482 64.681 62.300 -0.169 0.000 1.024 25 V CB -0.811 30.907 31.823 -0.174 0.000 0.651 25 V HN 0.464 nan 8.190 nan 0.000 0.449 26 T N -0.527 113.951 114.554 -0.127 0.000 2.720 26 T HA -0.272 4.080 4.350 0.002 0.000 0.268 26 T C 1.987 176.648 174.700 -0.064 0.000 1.037 26 T CA 1.910 63.959 62.100 -0.086 0.000 1.144 26 T CB -0.233 68.582 68.868 -0.089 0.000 0.864 26 T HN 0.414 nan 8.240 nan 0.000 0.444 27 K N 0.511 120.865 120.400 -0.077 0.000 2.057 27 K HA -0.115 4.206 4.320 0.002 0.000 0.207 27 K C 2.497 179.084 176.600 -0.022 0.000 1.049 27 K CA 1.193 57.451 56.287 -0.048 0.000 0.931 27 K CB -0.052 32.415 32.500 -0.055 0.000 0.714 27 K HN 0.015 nan 8.250 nan 0.000 0.440 28 R N 1.354 121.841 120.500 -0.022 0.000 2.115 28 R HA -0.021 4.320 4.340 0.002 0.000 0.230 28 R C 1.975 178.281 176.300 0.010 0.000 1.111 28 R CA 1.286 57.394 56.100 0.014 0.000 0.976 28 R CB -0.126 30.196 30.300 0.036 0.000 0.870 28 R HN -0.023 nan 8.270 nan 0.000 0.445 29 K N 0.550 120.947 120.400 -0.006 0.000 2.442 29 K HA -0.087 4.235 4.320 0.002 0.000 0.198 29 K C 1.172 177.771 176.600 -0.003 0.000 1.044 29 K CA 0.829 57.113 56.287 -0.004 0.000 0.948 29 K CB 0.148 32.639 32.500 -0.014 0.000 0.762 29 K HN 0.183 nan 8.250 nan 0.000 0.472 30 K N 0.447 120.846 120.400 -0.003 0.000 2.062 30 K HA -0.102 4.219 4.320 0.002 0.000 0.205 30 K C 1.769 178.373 176.600 0.006 0.000 1.051 30 K CA 1.100 57.387 56.287 -0.000 0.000 0.941 30 K CB 0.129 32.628 32.500 -0.001 0.000 0.719 30 K HN 0.260 nan 8.250 nan 0.000 0.440 31 E N 0.899 121.107 120.200 0.012 0.000 2.013 31 E HA -0.070 4.281 4.350 0.002 0.000 0.194 31 E C 0.514 177.123 176.600 0.016 0.000 0.973 31 E CA 0.341 56.751 56.400 0.017 0.000 0.842 31 E CB -0.022 29.694 29.700 0.027 0.000 0.801 31 E HN 0.068 nan 8.360 nan 0.000 0.476 32 D N 0.443 120.856 120.400 0.021 0.000 2.348 32 D HA -0.043 4.598 4.640 0.002 0.000 0.253 32 D C -0.115 176.193 176.300 0.014 0.000 1.161 32 D CA 0.148 54.160 54.000 0.019 0.000 0.876 32 D CB 1.318 42.134 40.800 0.027 0.000 1.160 32 D HN 0.009 nan 8.370 nan 0.000 0.459 33 D N 1.903 122.308 120.400 0.009 0.000 2.323 33 D HA -0.073 4.568 4.640 0.002 0.000 0.209 33 D C -0.694 175.610 176.300 0.006 0.000 0.973 33 D CA 0.400 54.403 54.000 0.006 0.000 0.874 33 D CB 0.321 41.123 40.800 0.003 0.000 0.930 33 D HN 0.264 nan 8.370 nan 0.000 0.521 34 D N 0.089 120.495 120.400 0.009 0.000 2.460 34 D HA 0.272 4.913 4.640 0.002 0.000 0.232 34 D C -0.882 175.428 176.300 0.017 0.000 1.079 34 D CA -0.350 53.656 54.000 0.010 0.000 0.864 34 D CB 1.715 42.519 40.800 0.007 0.000 1.048 34 D HN -0.196 nan 8.370 nan 0.000 0.523 35 V N 2.437 122.362 119.914 0.018 0.000 2.531 35 V HA 0.477 4.598 4.120 0.002 0.000 0.301 35 V C -0.162 175.950 176.094 0.030 0.000 1.034 35 V CA -0.834 61.483 62.300 0.029 0.000 0.865 35 V CB 2.259 34.099 31.823 0.027 0.000 0.995 35 V HN 0.199 nan 8.190 nan 0.000 0.424 36 V N 5.305 125.244 119.914 0.042 0.000 2.487 36 V HA 0.514 4.635 4.120 0.002 0.000 0.298 36 V C -0.121 176.016 176.094 0.071 0.000 1.028 36 V CA -0.684 61.643 62.300 0.045 0.000 0.860 36 V CB 1.993 33.838 31.823 0.037 0.000 0.991 36 V HN 0.722 nan 8.190 nan 0.000 0.427 37 V N 6.273 126.236 119.914 0.081 0.000 2.617 37 V HA 0.772 4.893 4.120 0.002 0.000 0.298 37 V C -0.522 175.646 176.094 0.124 0.000 1.048 37 V CA -0.088 62.294 62.300 0.137 0.000 0.964 37 V CB 1.957 33.874 31.823 0.157 0.000 1.004 37 V HN 0.581 nan 8.190 nan 0.000 0.466 38 V N 6.049 126.059 119.914 0.161 0.000 2.487 38 V HA 0.584 4.705 4.120 0.002 0.000 0.298 38 V C -0.223 175.987 176.094 0.193 0.000 1.028 38 V CA -0.424 61.959 62.300 0.138 0.000 0.860 38 V CB 1.584 33.470 31.823 0.105 0.000 0.991 38 V HN 0.881 nan 8.190 nan 0.000 0.427 39 V N 4.408 124.419 119.914 0.161 0.000 2.735 39 V HA 0.657 4.779 4.120 0.002 0.000 0.310 39 V C 0.114 176.297 176.094 0.147 0.000 1.061 39 V CA -0.045 62.358 62.300 0.172 0.000 0.913 39 V CB 2.817 34.711 31.823 0.120 0.000 1.005 39 V HN 0.951 nan 8.190 nan 0.000 0.428 40 S N 3.724 119.511 115.700 0.146 0.000 2.672 40 S HA 0.757 5.229 4.470 0.002 0.000 0.276 40 S C 0.267 174.926 174.600 0.097 0.000 1.207 40 S CA -0.003 58.264 58.200 0.112 0.000 1.002 40 S CB 1.569 64.819 63.200 0.083 0.000 0.998 40 S HN 1.329 nan 8.310 nan 0.000 0.542 41 A N 2.067 124.934 122.820 0.079 0.000 2.547 41 A HA 0.162 4.483 4.320 0.002 0.000 0.233 41 A C 0.541 178.176 177.584 0.084 0.000 1.067 41 A CA 0.167 52.261 52.037 0.094 0.000 0.763 41 A CB -0.463 18.585 19.000 0.080 0.000 1.007 41 A HN 0.803 nan 8.150 nan 0.000 0.506 42 M N 1.903 121.562 119.600 0.099 0.000 2.247 42 M HA 0.047 4.529 4.480 0.002 0.000 0.318 42 M C 1.179 177.510 176.300 0.052 0.000 1.054 42 M CA 0.416 55.747 55.300 0.052 0.000 1.117 42 M CB -0.022 32.562 32.600 -0.026 0.000 1.515 42 M HN 0.886 nan 8.290 nan 0.000 0.442 43 S N 1.696 117.427 115.700 0.051 0.000 2.552 43 S HA 0.011 4.483 4.470 0.002 0.000 0.289 43 S C 0.604 175.242 174.600 0.063 0.000 1.304 43 S CA -0.419 57.814 58.200 0.055 0.000 1.063 43 S CB 0.680 63.917 63.200 0.062 0.000 0.848 43 S HN 0.827 nan 8.310 nan 0.000 0.499 44 E N -0.358 119.880 120.200 0.063 0.000 3.799 44 E HA -0.190 4.162 4.350 0.002 0.000 0.320 44 E C 0.976 177.661 176.600 0.143 0.000 0.760 44 E CA 1.117 57.570 56.400 0.088 0.000 1.153 44 E CB -2.419 27.338 29.700 0.096 0.000 1.589 44 E HN 0.566 nan 8.360 nan 0.000 0.448 45 V N 0.708 120.706 119.914 0.140 0.000 2.270 45 V HA -0.237 3.885 4.120 0.002 0.000 0.245 45 V C 2.411 178.619 176.094 0.189 0.000 1.043 45 V CA 2.599 65.019 62.300 0.200 0.000 1.014 45 V CB -0.711 31.220 31.823 0.180 0.000 0.645 45 V HN 0.318 nan 8.190 nan 0.000 0.447 46 T N 0.430 115.045 114.554 0.101 0.000 2.684 46 T HA -0.207 4.144 4.350 0.002 0.000 0.267 46 T C 1.838 176.578 174.700 0.068 0.000 1.036 46 T CA 1.720 63.858 62.100 0.063 0.000 1.148 46 T CB -0.454 68.367 68.868 -0.077 0.000 0.863 46 T HN 0.397 nan 8.240 nan 0.000 0.436 47 N N 1.521 120.253 118.700 0.053 0.000 2.094 47 N HA -0.063 4.678 4.740 0.002 0.000 0.191 47 N C 2.094 177.641 175.510 0.062 0.000 1.023 47 N CA 1.453 54.530 53.050 0.044 0.000 0.857 47 N CB -0.607 37.900 38.487 0.034 0.000 1.013 47 N HN 0.477 nan 8.380 nan 0.000 0.426 48 A N 0.786 123.685 122.820 0.131 0.000 1.930 48 A HA -0.007 4.314 4.320 0.002 0.000 0.217 48 A C 2.389 180.021 177.584 0.080 0.000 1.175 48 A CA 0.788 52.932 52.037 0.178 0.000 0.627 48 A CB -0.611 18.651 19.000 0.438 0.000 0.815 48 A HN 0.213 nan 8.150 nan 0.000 0.443 49 L N -0.597 120.706 121.223 0.134 0.000 2.141 49 L HA -0.133 4.209 4.340 0.002 0.000 0.209 49 L C 2.475 179.328 176.870 -0.029 0.000 1.094 49 L CA 0.746 55.609 54.840 0.039 0.000 0.763 49 L CB -0.418 41.739 42.059 0.163 0.000 0.908 49 L HN 0.238 nan 8.230 nan 0.000 0.437 50 V N -0.563 119.358 119.914 0.011 0.000 2.261 50 V HA -0.256 3.865 4.120 0.002 0.000 0.246 50 V C 2.472 178.539 176.094 -0.045 0.000 1.047 50 V CA 1.695 63.996 62.300 0.002 0.000 1.015 50 V CB -0.406 31.429 31.823 0.021 0.000 0.642 50 V HN 0.340 nan 8.190 nan 0.000 0.446 51 E N -0.217 119.948 120.200 -0.058 0.000 2.085 51 E HA -0.163 4.188 4.350 0.002 0.000 0.194 51 E C 2.013 178.526 176.600 -0.145 0.000 0.994 51 E CA 1.004 57.355 56.400 -0.081 0.000 0.801 51 E CB -0.373 29.287 29.700 -0.066 0.000 0.743 51 E HN 0.337 nan 8.360 nan 0.000 0.453 52 I N 0.230 120.644 120.570 -0.260 0.000 2.439 52 I HA -0.153 4.019 4.170 0.002 0.000 0.251 52 I C 1.763 177.724 176.117 -0.260 0.000 1.139 52 I CA 1.014 62.079 61.300 -0.392 0.000 1.438 52 I CB -0.706 36.718 38.000 -0.960 0.000 1.085 52 I HN -0.003 nan 8.210 nan 0.000 0.427 53 S N 0.369 115.959 115.700 -0.183 0.000 2.353 53 S HA -0.261 4.211 4.470 0.002 0.000 0.222 53 S C 1.839 176.394 174.600 -0.075 0.000 1.035 53 S CA 1.521 59.659 58.200 -0.102 0.000 1.025 53 S CB -0.188 62.984 63.200 -0.047 0.000 0.902 53 S HN 0.421 nan 8.310 nan 0.000 0.440 54 Q N 0.939 120.700 119.800 -0.065 0.000 2.119 54 Q HA 0.003 4.344 4.340 0.002 0.000 0.201 54 Q C 1.808 177.777 176.000 -0.052 0.000 0.972 54 Q CA 1.276 57.051 55.803 -0.045 0.000 0.847 54 Q CB -0.204 28.514 28.738 -0.034 0.000 0.903 54 Q HN 0.324 nan 8.270 nan 0.000 0.433 55 Q N -1.254 118.502 119.800 -0.074 0.000 2.482 55 Q HA 0.159 4.501 4.340 0.002 0.000 0.209 55 Q C 1.087 177.048 176.000 -0.065 0.000 0.961 55 Q CA 0.831 56.593 55.803 -0.068 0.000 0.945 55 Q CB 0.368 29.058 28.738 -0.081 0.000 1.012 55 Q HN 0.426 nan 8.270 nan 0.000 0.515 56 A N -0.097 122.680 122.820 -0.072 0.000 1.973 56 A HA 0.021 4.342 4.320 0.002 0.000 0.210 56 A C 1.933 179.501 177.584 -0.027 0.000 1.200 56 A CA 0.195 52.199 52.037 -0.055 0.000 0.707 56 A CB -0.202 18.751 19.000 -0.078 0.000 0.862 56 A HN 0.293 nan 8.150 nan 0.000 0.461 57 L N 0.755 121.962 121.223 -0.028 0.000 1.961 57 L HA -0.039 4.302 4.340 0.002 0.000 0.210 57 L C 0.155 177.020 176.870 -0.008 0.000 1.072 57 L CA 1.723 56.555 54.840 -0.014 0.000 0.749 57 L CB -0.565 41.485 42.059 -0.016 0.000 0.889 57 L HN 0.325 nan 8.230 nan 0.000 0.432 58 D N 0.155 120.547 120.400 -0.013 0.000 2.344 58 D HA 0.256 4.897 4.640 0.002 0.000 0.244 58 D C 0.285 176.580 176.300 -0.010 0.000 1.134 58 D CA 0.609 54.603 54.000 -0.009 0.000 0.930 58 D CB 0.759 41.553 40.800 -0.011 0.000 1.175 58 D HN 0.249 nan 8.370 nan 0.000 0.437 59 V N -1.162 118.749 119.914 -0.005 0.000 5.882 59 V HA -0.323 3.798 4.120 0.002 0.000 0.179 59 V C -0.044 176.051 176.094 0.002 0.000 0.704 59 V CA 0.569 62.868 62.300 -0.002 0.000 0.539 59 V CB -2.091 29.728 31.823 -0.007 0.000 0.377 59 V HN 0.572 nan 8.190 nan 0.000 0.413 60 R N 1.892 122.400 120.500 0.014 0.000 2.399 60 R HA 0.520 4.861 4.340 0.002 0.000 0.324 60 R C -0.025 176.299 176.300 0.039 0.000 1.030 60 R CA 0.317 56.435 56.100 0.031 0.000 0.984 60 R CB 0.336 30.670 30.300 0.056 0.000 0.961 60 R HN 0.746 nan 8.270 nan 0.000 0.433 61 D N 3.737 124.155 120.400 0.030 0.000 2.330 61 D HA 0.160 4.802 4.640 0.002 0.000 0.249 61 D C 0.783 177.102 176.300 0.032 0.000 1.306 61 D CA -0.480 53.539 54.000 0.032 0.000 0.956 61 D CB 0.661 41.471 40.800 0.017 0.000 1.261 61 D HN 0.400 nan 8.370 nan 0.000 0.544 62 I N 1.644 122.247 120.570 0.055 0.000 2.236 62 I HA -0.275 3.897 4.170 0.002 0.000 0.249 62 I C 2.297 178.432 176.117 0.030 0.000 1.102 62 I CA 1.533 62.857 61.300 0.040 0.000 1.365 62 I CB -0.126 37.926 38.000 0.087 0.000 1.051 62 I HN 0.394 nan 8.210 nan 0.000 0.420 63 A N 0.620 123.461 122.820 0.036 0.000 1.930 63 A HA -0.182 4.140 4.320 0.002 0.000 0.215 63 A C 2.295 179.900 177.584 0.036 0.000 1.176 63 A CA 1.616 53.673 52.037 0.033 0.000 0.632 63 A CB -0.366 18.652 19.000 0.030 0.000 0.819 63 A HN 0.297 nan 8.150 nan 0.000 0.445 64 K N -0.037 120.382 120.400 0.031 0.000 2.148 64 K HA -0.031 4.290 4.320 0.002 0.000 0.204 64 K C 1.595 178.231 176.600 0.060 0.000 1.050 64 K CA 1.659 57.966 56.287 0.034 0.000 0.942 64 K CB -0.517 31.991 32.500 0.012 0.000 0.724 64 K HN 0.162 nan 8.250 nan 0.000 0.446 65 V N 0.401 120.343 119.914 0.046 0.000 2.270 65 V HA -0.150 3.972 4.120 0.002 0.000 0.245 65 V C 2.307 178.481 176.094 0.133 0.000 1.043 65 V CA 2.152 64.496 62.300 0.073 0.000 1.014 65 V CB -1.095 30.733 31.823 0.007 0.000 0.645 65 V HN 0.605 nan 8.190 nan 0.000 0.447 66 G N -0.507 108.335 108.800 0.071 0.000 2.469 66 G HA2 -0.297 3.665 3.960 0.002 0.000 0.220 66 G HA3 -0.297 3.665 3.960 0.002 0.000 0.220 66 G C 1.227 176.167 174.900 0.066 0.000 1.136 66 G CA 1.210 46.342 45.100 0.054 0.000 0.759 66 G HN 0.505 nan 8.290 nan 0.000 0.562 67 D N -0.252 120.199 120.400 0.085 0.000 2.117 67 D HA -0.097 4.544 4.640 0.002 0.000 0.197 67 D C 1.937 178.320 176.300 0.138 0.000 0.987 67 D CA 0.525 54.578 54.000 0.088 0.000 0.829 67 D CB -0.410 40.434 40.800 0.072 0.000 0.961 67 D HN 0.317 nan 8.370 nan 0.000 0.460 68 F N 0.786 120.762 119.950 0.042 0.000 2.171 68 F HA -0.156 4.374 4.527 0.005 0.000 0.300 68 F C 2.012 177.891 175.800 0.131 0.000 1.090 68 F CA 0.828 58.889 58.000 0.102 0.000 1.293 68 F CB -0.223 38.805 39.000 0.047 0.000 1.013 68 F HN -0.144 nan 8.300 nan 0.000 0.486 69 I N 0.874 121.432 120.570 -0.021 0.000 2.226 69 I HA -0.257 3.914 4.170 0.002 0.000 0.245 69 I C 2.466 178.457 176.117 -0.210 0.000 1.100 69 I CA 1.531 62.726 61.300 -0.174 0.000 1.374 69 I CB -0.615 37.360 38.000 -0.043 0.000 1.057 69 I HN 0.111 nan 8.210 nan 0.000 0.413 70 K N -0.460 119.881 120.400 -0.098 0.000 2.057 70 K HA -0.228 4.094 4.320 0.002 0.000 0.206 70 K C 2.215 178.752 176.600 -0.104 0.000 1.050 70 K CA 1.511 57.744 56.287 -0.089 0.000 0.935 70 K CB -0.330 32.160 32.500 -0.016 0.000 0.715 70 K HN 0.250 nan 8.250 nan 0.000 0.439 71 F N 1.134 120.961 119.950 -0.206 0.000 2.069 71 F HA -0.227 4.302 4.527 0.004 0.000 0.298 71 F C 1.834 177.475 175.800 -0.265 0.000 1.113 71 F CA 1.436 59.313 58.000 -0.205 0.000 1.214 71 F CB -0.433 38.463 39.000 -0.173 0.000 0.978 71 F HN -0.018 nan 8.300 nan 0.000 0.474 72 I N 0.609 120.755 120.570 -0.707 0.000 2.315 72 I HA -0.201 3.970 4.170 0.002 0.000 0.248 72 I C 2.725 178.605 176.117 -0.395 0.000 1.117 72 I CA 1.254 62.139 61.300 -0.692 0.000 1.404 72 I CB -0.625 36.961 38.000 -0.689 0.000 1.071 72 I HN 0.166 nan 8.210 nan 0.000 0.419 73 R N 0.379 120.622 120.500 -0.429 0.000 2.070 73 R HA -0.192 4.150 4.340 0.002 0.000 0.233 73 R C 2.166 178.128 176.300 -0.564 0.000 1.137 73 R CA 1.943 57.717 56.100 -0.543 0.000 0.945 73 R CB -0.241 29.748 30.300 -0.518 0.000 0.845 73 R HN 0.424 nan 8.270 nan 0.000 0.430 74 E N 0.210 120.198 120.200 -0.352 0.000 2.072 74 E HA -0.193 4.159 4.350 0.002 0.000 0.191 74 E C 2.030 178.527 176.600 -0.172 0.000 0.985 74 E CA 0.887 57.187 56.400 -0.166 0.000 0.801 74 E CB -0.049 29.601 29.700 -0.083 0.000 0.750 74 E HN 0.265 nan 8.360 nan 0.000 0.452 75 K N 0.488 120.678 120.400 -0.350 0.000 2.074 75 K HA -0.229 4.092 4.320 0.002 0.000 0.209 75 K C 1.808 178.189 176.600 -0.366 0.000 1.048 75 K CA 1.693 57.730 56.287 -0.417 0.000 0.926 75 K CB -0.079 31.985 32.500 -0.728 0.000 0.713 75 K HN 0.221 nan 8.250 nan 0.000 0.444 76 H N -1.657 117.273 119.070 -0.234 0.000 2.403 76 H HA -0.048 4.509 4.556 0.002 0.000 0.298 76 H C 1.757 177.096 175.328 0.018 0.000 1.059 76 H CA 1.435 57.406 56.048 -0.127 0.000 1.363 76 H CB -0.026 29.637 29.762 -0.166 0.000 1.410 76 H HN 0.174 nan 8.280 nan 0.000 0.528 77 Y N 1.244 121.547 120.300 0.005 0.000 2.128 77 Y HA -0.218 4.334 4.550 0.003 0.000 0.284 77 Y C 2.481 178.361 175.900 -0.032 0.000 1.154 77 Y CA 1.307 59.398 58.100 -0.016 0.000 1.149 77 Y CB -0.504 37.939 38.460 -0.029 0.000 0.976 77 Y HN 0.135 nan 8.280 nan 0.000 0.505 78 K N -0.144 120.324 120.400 0.113 0.000 2.148 78 K HA -0.071 4.250 4.320 0.002 0.000 0.204 78 K C 2.249 178.851 176.600 0.004 0.000 1.050 78 K CA 0.935 57.240 56.287 0.031 0.000 0.942 78 K CB -0.159 32.337 32.500 -0.007 0.000 0.724 78 K HN 0.183 nan 8.250 nan 0.000 0.446 79 A N 1.035 123.846 122.820 -0.016 0.000 1.902 79 A HA -0.130 4.192 4.320 0.002 0.000 0.217 79 A C 2.046 179.637 177.584 0.012 0.000 1.181 79 A CA 1.414 53.436 52.037 -0.025 0.000 0.623 79 A CB -0.537 18.422 19.000 -0.068 0.000 0.818 79 A HN 0.312 nan 8.150 nan 0.000 0.443 80 I N -0.856 119.743 120.570 0.049 0.000 2.142 80 I HA -0.248 3.923 4.170 0.002 0.000 0.240 80 I C 2.540 178.664 176.117 0.012 0.000 1.078 80 I CA 1.824 63.148 61.300 0.040 0.000 1.343 80 I CB -0.325 37.716 38.000 0.067 0.000 1.046 80 I HN 0.401 nan 8.210 nan 0.000 0.405 81 E N 1.186 121.392 120.200 0.010 0.000 2.130 81 E HA -0.250 4.101 4.350 0.002 0.000 0.196 81 E C 1.868 178.463 176.600 -0.008 0.000 0.998 81 E CA 1.595 57.990 56.400 -0.008 0.000 0.806 81 E CB 0.038 29.733 29.700 -0.009 0.000 0.738 81 E HN 0.476 nan 8.360 nan 0.000 0.459 82 E N -1.434 118.763 120.200 -0.005 0.000 2.452 82 E HA 0.123 4.474 4.350 0.002 0.000 0.197 82 E C 1.474 178.069 176.600 -0.008 0.000 1.022 82 E CA 0.463 56.859 56.400 -0.007 0.000 0.890 82 E CB 0.538 30.234 29.700 -0.007 0.000 0.918 82 E HN 0.312 nan 8.360 nan 0.000 0.496 83 A N 0.835 123.649 122.820 -0.009 0.000 2.014 83 A HA 0.207 4.528 4.320 0.002 0.000 0.210 83 A C 1.049 178.621 177.584 -0.020 0.000 1.188 83 A CA 0.190 52.217 52.037 -0.015 0.000 0.731 83 A CB 0.375 19.364 19.000 -0.018 0.000 0.858 83 A HN 0.020 nan 8.150 nan 0.000 0.464 84 I N -0.704 119.856 120.570 -0.016 0.000 2.474 84 I HA 0.294 4.466 4.170 0.002 0.000 0.294 84 I C 0.949 177.056 176.117 -0.018 0.000 1.005 84 I CA -0.617 60.671 61.300 -0.019 0.000 1.113 84 I CB 2.079 40.069 38.000 -0.017 0.000 1.289 84 I HN -0.050 nan 8.210 nan 0.000 0.436 85 K N 2.240 122.629 120.400 -0.019 0.000 2.141 85 K HA 0.101 4.422 4.320 0.002 0.000 0.202 85 K C 0.932 177.521 176.600 -0.018 0.000 1.045 85 K CA 0.559 56.836 56.287 -0.017 0.000 0.971 85 K CB 0.328 32.819 32.500 -0.016 0.000 0.795 85 K HN 0.597 nan 8.250 nan 0.000 0.459 86 S N 2.343 118.031 115.700 -0.018 0.000 2.515 86 S HA -0.006 4.465 4.470 0.002 0.000 0.285 86 S C 0.937 175.526 174.600 -0.020 0.000 1.265 86 S CA -0.128 58.062 58.200 -0.018 0.000 1.079 86 S CB 0.495 63.685 63.200 -0.017 0.000 0.877 86 S HN 0.104 nan 8.310 nan 0.000 0.493 87 E N 3.803 123.990 120.200 -0.021 0.000 2.268 87 E HA -0.143 4.208 4.350 0.002 0.000 0.195 87 E C 1.578 178.164 176.600 -0.024 0.000 0.995 87 E CA 0.888 57.274 56.400 -0.025 0.000 0.836 87 E CB -0.025 29.660 29.700 -0.025 0.000 0.763 87 E HN 0.919 nan 8.360 nan 0.000 0.491 88 E N 0.316 120.504 120.200 -0.019 0.000 2.076 88 E HA -0.115 4.236 4.350 0.002 0.000 0.190 88 E C 1.989 178.580 176.600 -0.015 0.000 0.979 88 E CA 0.428 56.818 56.400 -0.017 0.000 0.807 88 E CB 0.210 29.901 29.700 -0.014 0.000 0.761 88 E HN 0.065 nan 8.360 nan 0.000 0.454 89 I N 1.298 121.859 120.570 -0.015 0.000 2.202 89 I HA -0.220 3.952 4.170 0.002 0.000 0.242 89 I C 2.186 178.296 176.117 -0.012 0.000 1.091 89 I CA 1.326 62.618 61.300 -0.013 0.000 1.368 89 I CB -1.080 36.911 38.000 -0.015 0.000 1.058 89 I HN 0.071 nan 8.210 nan 0.000 0.410 90 K N 0.734 121.124 120.400 -0.017 0.000 2.074 90 K HA -0.271 4.051 4.320 0.002 0.000 0.209 90 K C 2.049 178.635 176.600 -0.023 0.000 1.048 90 K CA 1.991 58.266 56.287 -0.019 0.000 0.926 90 K CB -0.186 32.296 32.500 -0.030 0.000 0.713 90 K HN 0.232 nan 8.250 nan 0.000 0.444 91 E N 1.265 121.449 120.200 -0.027 0.000 2.058 91 E HA -0.233 4.118 4.350 0.002 0.000 0.194 91 E C 1.931 178.524 176.600 -0.012 0.000 0.997 91 E CA 1.626 58.009 56.400 -0.028 0.000 0.801 91 E CB -0.021 29.664 29.700 -0.025 0.000 0.746 91 E HN 0.289 nan 8.360 nan 0.000 0.450 92 E N -0.470 119.726 120.200 -0.006 0.000 2.107 92 E HA -0.109 4.242 4.350 0.002 0.000 0.191 92 E C 2.028 178.634 176.600 0.010 0.000 0.982 92 E CA 1.129 57.530 56.400 0.002 0.000 0.809 92 E CB 0.182 29.881 29.700 -0.001 0.000 0.756 92 E HN 0.243 nan 8.360 nan 0.000 0.459 93 V N 1.564 121.485 119.914 0.011 0.000 2.379 93 V HA -0.219 3.902 4.120 0.002 0.000 0.245 93 V C 2.537 178.658 176.094 0.044 0.000 1.044 93 V CA 1.915 64.228 62.300 0.023 0.000 1.036 93 V CB -0.487 31.348 31.823 0.021 0.000 0.664 93 V HN 0.244 nan 8.190 nan 0.000 0.453 94 K N 0.360 120.788 120.400 0.047 0.000 2.113 94 K HA -0.283 4.038 4.320 0.002 0.000 0.208 94 K C 2.259 178.914 176.600 0.091 0.000 1.047 94 K CA 1.929 58.268 56.287 0.087 0.000 0.928 94 K CB -0.164 32.339 32.500 0.005 0.000 0.716 94 K HN 0.347 nan 8.250 nan 0.000 0.446 95 K N 0.348 120.777 120.400 0.048 0.000 2.026 95 K HA -0.107 4.215 4.320 0.002 0.000 0.208 95 K C 2.090 178.718 176.600 0.046 0.000 1.048 95 K CA 1.301 57.614 56.287 0.043 0.000 0.929 95 K CB -0.012 32.503 32.500 0.025 0.000 0.713 95 K HN 0.136 nan 8.250 nan 0.000 0.439 96 I N 1.691 122.284 120.570 0.038 0.000 2.163 96 I HA -0.299 3.872 4.170 0.002 0.000 0.243 96 I C 2.257 178.393 176.117 0.033 0.000 1.085 96 I CA 1.247 62.566 61.300 0.032 0.000 1.347 96 I CB -0.888 37.125 38.000 0.021 0.000 1.044 96 I HN 0.185 nan 8.210 nan 0.000 0.408 97 I N 0.977 121.568 120.570 0.036 0.000 2.179 97 I HA -0.263 3.908 4.170 0.002 0.000 0.242 97 I C 2.289 178.408 176.117 0.004 0.000 1.088 97 I CA 1.477 62.780 61.300 0.006 0.000 1.357 97 I CB -1.560 36.456 38.000 0.028 0.000 1.051 97 I HN 0.225 nan 8.210 nan 0.000 0.409 98 D N 0.798 121.232 120.400 0.057 0.000 2.123 98 D HA -0.138 4.503 4.640 0.002 0.000 0.196 98 D C 2.385 178.706 176.300 0.036 0.000 0.992 98 D CA 1.366 55.397 54.000 0.051 0.000 0.833 98 D CB -0.149 40.710 40.800 0.099 0.000 0.954 98 D HN 0.196 nan 8.370 nan 0.000 0.455 99 S N 0.322 116.051 115.700 0.048 0.000 2.359 99 S HA -0.143 4.328 4.470 0.002 0.000 0.224 99 S C 1.914 176.569 174.600 0.091 0.000 1.035 99 S CA 0.927 59.164 58.200 0.061 0.000 1.018 99 S CB 0.079 63.314 63.200 0.059 0.000 0.876 99 S HN 0.220 nan 8.310 nan 0.000 0.448 100 R N 1.119 121.679 120.500 0.099 0.000 2.066 100 R HA -0.048 4.294 4.340 0.002 0.000 0.232 100 R C 2.383 178.758 176.300 0.125 0.000 1.131 100 R CA 1.314 57.542 56.100 0.215 0.000 0.955 100 R CB -1.317 29.091 30.300 0.181 0.000 0.851 100 R HN 0.638 nan 8.270 nan 0.000 0.432 101 I N 0.130 120.682 120.570 -0.029 0.000 2.252 101 I HA -0.150 4.021 4.170 0.002 0.000 0.245 101 I C 2.375 178.423 176.117 -0.115 0.000 1.102 101 I CA 1.671 62.885 61.300 -0.144 0.000 1.385 101 I CB -0.741 37.151 38.000 -0.180 0.000 1.064 101 I HN 0.049 nan 8.210 nan 0.000 0.414 102 E N 1.639 121.816 120.200 -0.039 0.000 2.065 102 E HA -0.327 4.024 4.350 0.002 0.000 0.201 102 E C 2.047 178.644 176.600 -0.005 0.000 1.016 102 E CA 2.414 58.807 56.400 -0.012 0.000 0.818 102 E CB -0.350 29.364 29.700 0.024 0.000 0.749 102 E HN 0.708 nan 8.360 nan 0.000 0.453 103 E N 0.353 120.587 120.200 0.056 0.000 2.031 103 E HA -0.171 4.180 4.350 0.002 0.000 0.193 103 E C 2.280 178.848 176.600 -0.053 0.000 0.994 103 E CA 1.196 57.683 56.400 0.146 0.000 0.800 103 E CB -0.307 29.649 29.700 0.427 0.000 0.752 103 E HN 0.334 nan 8.360 nan 0.000 0.447 104 L N 1.212 122.117 121.223 -0.531 0.000 2.042 104 L HA -0.254 4.087 4.340 0.002 0.000 0.210 104 L C 2.489 179.148 176.870 -0.351 0.000 1.076 104 L CA 1.607 55.868 54.840 -0.966 0.000 0.749 104 L CB -0.250 41.095 42.059 -1.190 0.000 0.893 104 L HN 0.257 nan 8.230 nan 0.000 0.432 105 E N 0.017 120.090 120.200 -0.211 0.000 2.038 105 E HA -0.294 4.058 4.350 0.002 0.000 0.195 105 E C 2.152 178.691 176.600 -0.102 0.000 1.000 105 E CA 1.661 57.994 56.400 -0.111 0.000 0.803 105 E CB 0.070 29.722 29.700 -0.081 0.000 0.750 105 E HN 0.432 nan 8.360 nan 0.000 0.448 106 K N 0.070 120.426 120.400 -0.075 0.000 2.020 106 K HA -0.174 4.147 4.320 0.002 0.000 0.212 106 K C 2.170 178.733 176.600 -0.061 0.000 1.050 106 K CA 1.519 57.770 56.287 -0.059 0.000 0.929 106 K CB -0.459 32.039 32.500 -0.002 0.000 0.714 106 K HN 0.078 nan 8.250 nan 0.000 0.443 107 V N 1.067 120.978 119.914 -0.005 0.000 2.407 107 V HA -0.211 3.910 4.120 0.002 0.000 0.248 107 V C 1.943 178.016 176.094 -0.034 0.000 1.055 107 V CA 1.525 63.843 62.300 0.031 0.000 1.049 107 V CB -0.166 31.774 31.823 0.196 0.000 0.662 107 V HN 0.231 nan 8.190 nan 0.000 0.455 108 L N -0.254 120.924 121.223 -0.075 0.000 2.093 108 L HA -0.051 4.291 4.340 0.002 0.000 0.208 108 L C 2.237 179.029 176.870 -0.129 0.000 1.085 108 L CA 1.747 56.531 54.840 -0.093 0.000 0.755 108 L CB -0.546 41.457 42.059 -0.094 0.000 0.904 108 L HN 0.252 nan 8.230 nan 0.000 0.435 109 I N -0.755 119.699 120.570 -0.193 0.000 2.226 109 I HA -0.201 3.970 4.170 0.002 0.000 0.245 109 I C 2.518 178.384 176.117 -0.417 0.000 1.100 109 I CA 1.425 62.492 61.300 -0.387 0.000 1.374 109 I CB -2.183 35.516 38.000 -0.502 0.000 1.057 109 I HN 0.309 nan 8.210 nan 0.000 0.413 110 G N 1.042 109.706 108.800 -0.226 0.000 2.511 110 G HA2 -0.256 3.705 3.960 0.002 0.000 0.216 110 G HA3 -0.256 3.705 3.960 0.002 0.000 0.216 110 G C 1.918 176.807 174.900 -0.018 0.000 1.218 110 G CA 1.293 46.340 45.100 -0.090 0.000 0.788 110 G HN 0.319 nan 8.290 nan 0.000 0.560 111 V N 1.458 121.355 119.914 -0.028 0.000 2.380 111 V HA -0.111 4.010 4.120 0.002 0.000 0.251 111 V C 3.056 179.157 176.094 0.012 0.000 1.063 111 V CA 2.771 65.066 62.300 -0.009 0.000 1.055 111 V CB -0.755 31.055 31.823 -0.022 0.000 0.657 111 V HN 0.484 nan 8.190 nan 0.000 0.455 112 A N -1.268 121.554 122.820 0.003 0.000 1.898 112 A HA -0.145 4.176 4.320 0.002 0.000 0.216 112 A C 2.114 179.813 177.584 0.192 0.000 1.181 112 A CA 1.892 53.966 52.037 0.061 0.000 0.620 112 A CB -0.836 18.182 19.000 0.030 0.000 0.819 112 A HN 0.639 nan 8.150 nan 0.000 0.442 113 Y N 0.191 120.485 120.300 -0.010 0.000 2.163 113 Y HA -0.109 4.442 4.550 0.001 0.000 0.288 113 Y C 2.314 178.208 175.900 -0.010 0.000 1.136 113 Y CA 1.110 59.205 58.100 -0.008 0.000 1.147 113 Y CB -0.649 37.807 38.460 -0.006 0.000 0.987 113 Y HN 0.444 nan 8.280 nan 0.000 0.509 114 L N -2.434 118.881 121.223 0.153 0.000 2.567 114 L HA 0.437 4.779 4.340 0.002 0.000 0.225 114 L C 1.312 178.207 176.870 0.040 0.000 1.119 114 L CA 0.776 55.658 54.840 0.069 0.000 0.871 114 L CB -0.240 41.850 42.059 0.051 0.000 1.036 114 L HN 0.238 nan 8.230 nan 0.000 0.459 115 G N 0.910 109.737 108.800 0.046 0.000 2.295 115 G HA2 -0.318 3.644 3.960 0.002 0.000 0.287 115 G HA3 -0.318 3.644 3.960 0.002 0.000 0.287 115 G C -0.190 174.715 174.900 0.010 0.000 1.055 115 G CA 0.761 45.876 45.100 0.024 0.000 0.922 115 G HN 0.657 nan 8.290 nan 0.000 0.503 116 E N -1.249 118.954 120.200 0.005 0.000 2.292 116 E HA 0.641 4.992 4.350 0.002 0.000 0.272 116 E C -1.041 175.549 176.600 -0.017 0.000 0.881 116 E CA -1.038 55.357 56.400 -0.008 0.000 0.754 116 E CB 1.423 31.116 29.700 -0.011 0.000 1.201 116 E HN 0.294 nan 8.360 nan 0.000 0.425 117 L N 4.378 125.587 121.223 -0.023 0.000 2.462 117 L HA 0.331 4.672 4.340 0.002 0.000 0.255 117 L C -0.601 176.243 176.870 -0.044 0.000 1.076 117 L CA -0.222 54.600 54.840 -0.030 0.000 0.920 117 L CB 1.017 43.063 42.059 -0.021 0.000 1.214 117 L HN 0.602 nan 8.230 nan 0.000 0.472 118 T N 1.356 115.866 114.554 -0.073 0.000 2.856 118 T HA 0.268 4.619 4.350 0.002 0.000 0.306 118 T C -1.673 172.943 174.700 -0.140 0.000 1.062 118 T CA -1.022 61.015 62.100 -0.105 0.000 1.083 118 T CB 0.417 69.193 68.868 -0.153 0.000 0.984 118 T HN 0.419 nan 8.240 nan 0.000 0.542 119 P HA -0.146 nan 4.420 nan 0.000 0.216 119 P C 1.418 178.443 177.300 -0.458 0.000 1.150 119 P CA 1.173 64.192 63.100 -0.136 0.000 0.837 119 P CB 0.143 31.866 31.700 0.038 0.000 0.786 120 K N 0.140 120.006 120.400 -0.890 0.000 2.032 120 K HA -0.115 4.207 4.320 0.002 0.000 0.209 120 K C 2.239 178.547 176.600 -0.486 0.000 1.048 120 K CA 2.003 57.555 56.287 -1.226 0.000 0.927 120 K CB -0.298 31.630 32.500 -0.953 0.000 0.712 120 K HN -0.003 nan 8.250 nan 0.000 0.441 121 S N 0.375 115.907 115.700 -0.280 0.000 2.368 121 S HA -0.056 4.415 4.470 0.002 0.000 0.224 121 S C 1.830 176.438 174.600 0.013 0.000 1.029 121 S CA 0.784 58.934 58.200 -0.083 0.000 0.988 121 S CB -0.214 62.945 63.200 -0.069 0.000 0.838 121 S HN 0.313 nan 8.310 nan 0.000 0.462 122 R N 0.972 121.453 120.500 -0.032 0.000 2.096 122 R HA -0.151 4.191 4.340 0.002 0.000 0.240 122 R C 1.818 178.163 176.300 0.075 0.000 1.139 122 R CA 1.865 57.980 56.100 0.026 0.000 0.952 122 R CB -0.524 29.786 30.300 0.017 0.000 0.854 122 R HN 0.314 nan 8.270 nan 0.000 0.436 123 D N -0.755 119.673 120.400 0.047 0.000 2.144 123 D HA -0.175 4.466 4.640 0.002 0.000 0.199 123 D C 1.573 177.961 176.300 0.147 0.000 0.984 123 D CA 0.982 55.047 54.000 0.109 0.000 0.834 123 D CB -0.204 40.704 40.800 0.180 0.000 0.955 123 D HN 0.194 nan 8.370 nan 0.000 0.465 124 Y N 0.805 121.118 120.300 0.021 0.000 2.200 124 Y HA -0.092 4.459 4.550 0.001 0.000 0.290 124 Y C 2.014 178.046 175.900 0.221 0.000 1.137 124 Y CA 1.109 59.247 58.100 0.063 0.000 1.163 124 Y CB -0.247 38.245 38.460 0.054 0.000 0.988 124 Y HN -0.032 nan 8.280 nan 0.000 0.518 125 I N -0.731 119.989 120.570 0.250 0.000 2.163 125 I HA -0.330 3.841 4.170 0.002 0.000 0.240 125 I C 2.327 178.614 176.117 0.284 0.000 1.081 125 I CA 1.159 62.623 61.300 0.273 0.000 1.353 125 I CB -0.504 37.579 38.000 0.137 0.000 1.054 125 I HN 0.181 nan 8.210 nan 0.000 0.407 126 L N 0.593 121.941 121.223 0.209 0.000 2.079 126 L HA -0.224 4.118 4.340 0.002 0.000 0.210 126 L C 2.812 179.849 176.870 0.278 0.000 1.081 126 L CA 1.872 56.865 54.840 0.255 0.000 0.752 126 L CB -0.791 41.449 42.059 0.302 0.000 0.896 126 L HN 0.429 nan 8.230 nan 0.000 0.433 127 S N -0.430 115.355 115.700 0.141 0.000 2.442 127 S HA -0.182 4.290 4.470 0.002 0.000 0.236 127 S C 1.790 176.369 174.600 -0.035 0.000 1.007 127 S CA 0.804 59.022 58.200 0.030 0.000 0.965 127 S CB -0.752 62.358 63.200 -0.151 0.000 0.773 127 S HN 0.313 nan 8.310 nan 0.000 0.504 128 F N 2.792 122.708 119.950 -0.057 0.000 2.307 128 F HA 0.100 4.629 4.527 0.002 0.000 0.301 128 F C 2.652 178.438 175.800 -0.024 0.000 1.076 128 F CA 0.686 58.637 58.000 -0.082 0.000 1.383 128 F CB -0.983 37.957 39.000 -0.100 0.000 1.055 128 F HN 0.377 nan 8.300 nan 0.000 0.526 129 G N -0.113 108.815 108.800 0.213 0.000 2.511 129 G HA2 -0.289 3.672 3.960 0.002 0.000 0.216 129 G HA3 -0.289 3.672 3.960 0.002 0.000 0.216 129 G C 1.509 176.486 174.900 0.128 0.000 1.218 129 G CA 1.052 46.255 45.100 0.171 0.000 0.788 129 G HN 0.244 nan 8.290 nan 0.000 0.560 130 E N 0.223 120.503 120.200 0.133 0.000 2.106 130 E HA 0.006 4.357 4.350 0.002 0.000 0.192 130 E C 2.659 179.292 176.600 0.054 0.000 0.984 130 E CA 0.545 57.012 56.400 0.111 0.000 0.806 130 E CB -0.154 29.637 29.700 0.152 0.000 0.750 130 E HN 0.363 nan 8.360 nan 0.000 0.458 131 R N -0.208 120.295 120.500 0.006 0.000 2.285 131 R HA -0.009 4.333 4.340 0.002 0.000 0.213 131 R C 1.775 178.055 176.300 -0.033 0.000 1.068 131 R CA 0.602 56.674 56.100 -0.047 0.000 1.004 131 R CB -0.074 30.124 30.300 -0.170 0.000 0.873 131 R HN 0.199 nan 8.270 nan 0.000 0.467 132 L N -0.696 120.508 121.223 -0.033 0.000 2.253 132 L HA -0.007 4.334 4.340 0.002 0.000 0.205 132 L C 2.325 179.191 176.870 -0.007 0.000 1.078 132 L CA 0.750 55.509 54.840 -0.135 0.000 0.805 132 L CB -0.107 41.674 42.059 -0.463 0.000 0.963 132 L HN 0.203 nan 8.230 nan 0.000 0.459 133 S N -0.665 115.085 115.700 0.082 0.000 2.388 133 S HA -0.130 4.341 4.470 0.002 0.000 0.223 133 S C 2.185 176.819 174.600 0.056 0.000 1.034 133 S CA 0.776 59.042 58.200 0.110 0.000 0.963 133 S CB -0.537 62.732 63.200 0.114 0.000 0.827 133 S HN 0.434 nan 8.310 nan 0.000 0.481 134 S N 3.885 119.611 115.700 0.043 0.000 2.372 134 S HA -0.064 4.407 4.470 0.002 0.000 0.227 134 S C -0.718 173.890 174.600 0.012 0.000 1.044 134 S CA 1.526 59.742 58.200 0.026 0.000 1.050 134 S CB -2.269 60.948 63.200 0.028 0.000 0.901 134 S HN 0.473 nan 8.310 nan 0.000 0.447 135 P HA 0.104 nan 4.420 nan 0.000 0.221 135 P C 1.404 178.709 177.300 0.010 0.000 1.150 135 P CA 0.732 63.837 63.100 0.008 0.000 0.800 135 P CB -0.203 31.503 31.700 0.009 0.000 0.787 136 I N -1.245 119.338 120.570 0.022 0.000 2.163 136 I HA -0.207 3.964 4.170 0.002 0.000 0.240 136 I C 2.243 178.353 176.117 -0.011 0.000 1.081 136 I CA 1.080 62.393 61.300 0.020 0.000 1.353 136 I CB -0.875 37.156 38.000 0.050 0.000 1.054 136 I HN -0.069 nan 8.210 nan 0.000 0.407 137 L N 0.523 121.731 121.223 -0.025 0.000 2.042 137 L HA -0.213 4.128 4.340 0.002 0.000 0.210 137 L C 2.649 179.481 176.870 -0.063 0.000 1.076 137 L CA 1.971 56.770 54.840 -0.067 0.000 0.749 137 L CB -0.767 41.237 42.059 -0.091 0.000 0.893 137 L HN 0.157 nan 8.230 nan 0.000 0.432 138 S N -0.759 114.919 115.700 -0.037 0.000 2.399 138 S HA -0.107 4.364 4.470 0.002 0.000 0.231 138 S C 2.005 176.587 174.600 -0.030 0.000 1.022 138 S CA 1.118 59.300 58.200 -0.031 0.000 0.983 138 S CB -0.741 62.450 63.200 -0.015 0.000 0.803 138 S HN 0.676 nan 8.310 nan 0.000 0.480 139 G N 0.596 109.382 108.800 -0.023 0.000 2.402 139 G HA2 0.002 3.964 3.960 0.002 0.000 0.216 139 G HA3 0.002 3.964 3.960 0.002 0.000 0.216 139 G C 1.651 176.533 174.900 -0.031 0.000 1.162 139 G CA 0.824 45.912 45.100 -0.021 0.000 0.777 139 G HN 0.649 nan 8.290 nan 0.000 0.539 140 A N 0.753 123.548 122.820 -0.042 0.000 1.933 140 A HA 0.078 4.399 4.320 0.002 0.000 0.218 140 A C 2.378 179.923 177.584 -0.064 0.000 1.175 140 A CA 1.158 53.162 52.037 -0.054 0.000 0.628 140 A CB -0.334 18.623 19.000 -0.071 0.000 0.814 140 A HN 0.374 nan 8.150 nan 0.000 0.444 141 I N -1.138 119.389 120.570 -0.071 0.000 2.286 141 I HA -0.248 3.924 4.170 0.002 0.000 0.248 141 I C 2.775 178.862 176.117 -0.050 0.000 1.115 141 I CA 1.246 62.503 61.300 -0.071 0.000 1.392 141 I CB -0.294 37.662 38.000 -0.073 0.000 1.065 141 I HN 0.295 nan 8.210 nan 0.000 0.418 142 R N 0.328 120.805 120.500 -0.039 0.000 2.090 142 R HA -0.173 4.168 4.340 0.002 0.000 0.228 142 R C 1.937 178.220 176.300 -0.029 0.000 1.110 142 R CA 1.516 57.599 56.100 -0.029 0.000 0.973 142 R CB -0.282 30.005 30.300 -0.022 0.000 0.869 142 R HN 0.250 nan 8.270 nan 0.000 0.440 143 D N 0.643 121.025 120.400 -0.031 0.000 2.144 143 D HA -0.124 4.517 4.640 0.002 0.000 0.199 143 D C 1.324 177.606 176.300 -0.031 0.000 0.984 143 D CA 0.946 54.928 54.000 -0.029 0.000 0.834 143 D CB 0.094 40.876 40.800 -0.030 0.000 0.955 143 D HN 0.123 nan 8.370 nan 0.000 0.465 144 L N -0.646 120.554 121.223 -0.039 0.000 2.627 144 L HA 0.226 4.567 4.340 0.002 0.000 0.233 144 L C 1.040 177.890 176.870 -0.034 0.000 1.144 144 L CA 0.267 55.083 54.840 -0.040 0.000 0.892 144 L CB -0.279 41.747 42.059 -0.054 0.000 1.039 144 L HN 0.213 nan 8.230 nan 0.000 0.442 145 G N 1.074 109.857 108.800 -0.029 0.000 2.368 145 G HA2 -0.250 3.711 3.960 0.002 0.000 0.290 145 G HA3 -0.250 3.711 3.960 0.002 0.000 0.290 145 G C -0.286 174.600 174.900 -0.024 0.000 1.098 145 G CA -0.040 45.046 45.100 -0.024 0.000 1.073 145 G HN 0.398 nan 8.290 nan 0.000 0.511 146 E N -0.527 119.657 120.200 -0.026 0.000 2.321 146 E HA 0.475 4.827 4.350 0.002 0.000 0.281 146 E C 0.017 176.603 176.600 -0.023 0.000 0.910 146 E CA -0.860 55.525 56.400 -0.025 0.000 0.770 146 E CB 1.050 30.731 29.700 -0.031 0.000 1.225 146 E HN 0.285 nan 8.360 nan 0.000 0.417 147 K N 1.603 121.993 120.400 -0.017 0.000 2.412 147 K HA 0.395 4.716 4.320 0.002 0.000 0.281 147 K C -0.683 175.908 176.600 -0.015 0.000 1.027 147 K CA 0.185 56.463 56.287 -0.015 0.000 0.989 147 K CB 0.935 33.428 32.500 -0.011 0.000 0.935 147 K HN 0.310 nan 8.250 nan 0.000 0.475 148 S N 3.489 119.180 115.700 -0.015 0.000 2.562 148 S HA 0.503 4.974 4.470 0.002 0.000 0.274 148 S C -1.156 173.437 174.600 -0.010 0.000 1.160 148 S CA -0.976 57.215 58.200 -0.014 0.000 0.933 148 S CB 0.539 63.725 63.200 -0.023 0.000 1.100 148 S HN 0.565 nan 8.310 nan 0.000 0.468 149 I N 1.891 122.457 120.570 -0.006 0.000 2.646 149 I HA 0.970 5.142 4.170 0.002 0.000 0.299 149 I C -0.111 176.005 176.117 -0.001 0.000 1.036 149 I CA -1.251 60.047 61.300 -0.004 0.000 1.074 149 I CB 1.893 39.892 38.000 -0.002 0.000 1.258 149 I HN 0.672 nan 8.210 nan 0.000 0.430 150 A N 6.542 129.362 122.820 0.000 0.000 2.331 150 A HA 0.777 5.098 4.320 0.002 0.000 0.283 150 A C -0.552 177.034 177.584 0.004 0.000 1.142 150 A CA -0.436 51.603 52.037 0.004 0.000 0.812 150 A CB 0.557 19.559 19.000 0.003 0.000 1.074 150 A HN 0.765 nan 8.150 nan 0.000 0.497 151 L N 1.520 122.748 121.223 0.007 0.000 2.333 151 L HA 0.467 4.808 4.340 0.002 0.000 0.263 151 L C 0.070 176.943 176.870 0.006 0.000 1.014 151 L CA -0.601 54.242 54.840 0.005 0.000 0.820 151 L CB 2.275 44.338 42.059 0.007 0.000 1.352 151 L HN 0.820 nan 8.230 nan 0.000 0.421 152 E N -0.035 120.165 120.200 -0.000 0.000 2.283 152 E HA 0.220 4.571 4.350 0.002 0.000 0.267 152 E C 0.694 177.295 176.600 0.000 0.000 1.045 152 E CA 0.018 56.416 56.400 -0.003 0.000 0.884 152 E CB 1.665 31.357 29.700 -0.013 0.000 1.106 152 E HN 0.790 nan 8.360 nan 0.000 0.408 153 G N 1.832 110.632 108.800 0.001 0.000 2.513 153 G HA2 -0.340 3.621 3.960 0.002 0.000 0.219 153 G HA3 -0.340 3.621 3.960 0.002 0.000 0.219 153 G C 1.295 176.187 174.900 -0.013 0.000 1.160 153 G CA 1.071 46.167 45.100 -0.006 0.000 0.767 153 G HN 0.673 nan 8.290 nan 0.000 0.571 154 G N 0.673 109.466 108.800 -0.011 0.000 2.459 154 G HA2 -0.189 3.773 3.960 0.002 0.000 0.217 154 G HA3 -0.189 3.773 3.960 0.002 0.000 0.217 154 G C 1.619 176.512 174.900 -0.011 0.000 1.183 154 G CA 1.160 46.253 45.100 -0.012 0.000 0.776 154 G HN 0.551 nan 8.290 nan 0.000 0.552 155 E N 0.594 120.790 120.200 -0.007 0.000 2.209 155 E HA -0.052 4.299 4.350 0.002 0.000 0.196 155 E C 2.668 179.265 176.600 -0.005 0.000 0.993 155 E CA 0.706 57.102 56.400 -0.006 0.000 0.819 155 E CB -0.147 29.551 29.700 -0.003 0.000 0.745 155 E HN 0.457 nan 8.360 nan 0.000 0.477 156 A N 0.137 122.953 122.820 -0.005 0.000 2.169 156 A HA 0.249 4.571 4.320 0.002 0.000 0.212 156 A C 1.713 179.292 177.584 -0.008 0.000 1.153 156 A CA 0.869 52.904 52.037 -0.004 0.000 0.756 156 A CB 0.062 19.061 19.000 -0.001 0.000 0.813 156 A HN 0.334 nan 8.150 nan 0.000 0.471 157 G N -1.110 107.682 108.800 -0.013 0.000 2.148 157 G HA2 -0.134 3.828 3.960 0.002 0.000 0.157 157 G HA3 -0.134 3.828 3.960 0.002 0.000 0.157 157 G C -0.036 174.849 174.900 -0.024 0.000 1.012 157 G CA -0.092 44.998 45.100 -0.015 0.000 0.677 157 G HN 0.366 nan 8.290 nan 0.000 0.506 158 I N 1.642 122.193 120.570 -0.033 0.000 2.269 158 I HA 0.390 4.562 4.170 0.002 0.000 0.293 158 I C 0.147 176.238 176.117 -0.044 0.000 1.106 158 I CA -0.623 60.647 61.300 -0.051 0.000 1.248 158 I CB 0.488 38.446 38.000 -0.071 0.000 1.444 158 I HN -0.016 nan 8.210 nan 0.000 0.497 159 I N 5.901 126.446 120.570 -0.041 0.000 2.331 159 I HA 0.270 4.441 4.170 0.002 0.000 0.292 159 I C 0.807 176.898 176.117 -0.043 0.000 0.998 159 I CA 0.184 61.459 61.300 -0.041 0.000 1.267 159 I CB 1.541 39.519 38.000 -0.037 0.000 1.386 159 I HN 0.529 nan 8.210 nan 0.000 0.476 160 T N 0.749 115.274 114.554 -0.049 0.000 2.910 160 T HA 0.627 4.978 4.350 0.002 0.000 0.287 160 T C -0.276 174.379 174.700 -0.075 0.000 1.050 160 T CA -0.986 61.082 62.100 -0.052 0.000 1.011 160 T CB 1.455 70.291 68.868 -0.053 0.000 1.195 160 T HN 0.490 nan 8.240 nan 0.000 0.540 161 D N 0.739 121.090 120.400 -0.081 0.000 2.325 161 D HA 0.156 4.798 4.640 0.002 0.000 0.262 161 D C 0.525 176.705 176.300 -0.201 0.000 1.263 161 D CA -0.521 53.415 54.000 -0.106 0.000 1.020 161 D CB -0.042 40.709 40.800 -0.081 0.000 1.117 161 D HN 0.446 nan 8.370 nan 0.000 0.545 162 N N -1.821 116.739 118.700 -0.234 0.000 2.280 162 N HA 0.013 4.754 4.740 0.002 0.000 0.192 162 N C -0.393 174.777 175.510 -0.568 0.000 1.109 162 N CA -0.121 52.665 53.050 -0.440 0.000 0.855 162 N CB -0.551 37.799 38.487 -0.228 0.000 0.974 162 N HN 0.364 nan 8.380 nan 0.000 0.482 163 N N 1.073 119.587 118.700 -0.310 0.000 2.892 163 N HA 0.014 4.755 4.740 0.002 0.000 0.300 163 N C -0.872 174.564 175.510 -0.123 0.000 1.211 163 N CA -0.183 52.771 53.050 -0.160 0.000 1.158 163 N CB -0.599 37.848 38.487 -0.066 0.000 1.455 163 N HN -0.083 nan 8.380 nan 0.000 0.524 164 F N 1.042 121.009 119.950 0.029 0.000 2.629 164 F HA 0.152 4.680 4.527 0.002 0.000 0.377 164 F C 2.027 177.841 175.800 0.023 0.000 1.101 164 F CA 1.273 59.287 58.000 0.024 0.000 1.301 164 F CB 0.200 39.217 39.000 0.028 0.000 1.062 164 F HN 0.510 nan 8.300 nan 0.000 0.583 165 G N 1.346 110.267 108.800 0.202 0.000 2.358 165 G HA2 -0.292 3.670 3.960 0.002 0.000 0.224 165 G HA3 -0.292 3.670 3.960 0.002 0.000 0.224 165 G C 0.493 175.447 174.900 0.090 0.000 1.073 165 G CA 0.234 45.414 45.100 0.134 0.000 0.635 165 G HN 1.280 nan 8.290 nan 0.000 0.509 166 S N -0.280 115.462 115.700 0.069 0.000 2.825 166 S HA 0.765 5.236 4.470 0.002 0.000 0.242 166 S C 0.322 174.937 174.600 0.024 0.000 0.980 166 S CA 0.950 59.179 58.200 0.049 0.000 1.107 166 S CB 0.698 63.934 63.200 0.059 0.000 1.172 166 S HN 1.941 nan 8.310 nan 0.000 0.483 167 A N 1.855 124.680 122.820 0.008 0.000 2.462 167 A HA 0.622 4.943 4.320 0.002 0.000 0.243 167 A C 0.512 178.121 177.584 0.042 0.000 1.076 167 A CA -0.218 51.810 52.037 -0.016 0.000 0.773 167 A CB 0.342 19.305 19.000 -0.062 0.000 1.010 167 A HN 0.672 nan 8.150 nan 0.000 0.493 168 R N 0.751 121.270 120.500 0.032 0.000 2.720 168 R HA 0.515 4.856 4.340 0.002 0.000 0.272 168 R C -0.809 175.533 176.300 0.071 0.000 0.991 168 R CA -0.827 55.327 56.100 0.089 0.000 1.010 168 R CB 1.642 31.969 30.300 0.045 0.000 1.141 168 R HN 0.543 nan 8.270 nan 0.000 0.494 169 V N 2.789 122.768 119.914 0.109 0.000 2.637 169 V HA -0.028 4.093 4.120 0.002 0.000 0.296 169 V C 1.268 177.361 176.094 -0.001 0.000 1.046 169 V CA 0.408 62.722 62.300 0.024 0.000 1.066 169 V CB 1.216 33.029 31.823 -0.018 0.000 0.968 169 V HN 0.799 nan 8.190 nan 0.000 0.483 170 K N 4.249 124.637 120.400 -0.021 0.000 2.121 170 K HA 0.188 4.509 4.320 0.002 0.000 0.203 170 K C 0.746 177.333 176.600 -0.021 0.000 1.041 170 K CA 0.500 56.773 56.287 -0.023 0.000 0.969 170 K CB 0.342 32.823 32.500 -0.032 0.000 0.799 170 K HN 0.846 nan 8.250 nan 0.000 0.456 171 R N -0.663 119.823 120.500 -0.024 0.000 2.716 171 R HA 0.402 4.743 4.340 0.002 0.000 0.271 171 R C -1.549 174.742 176.300 -0.016 0.000 1.028 171 R CA -0.937 55.154 56.100 -0.015 0.000 0.883 171 R CB 0.751 31.045 30.300 -0.010 0.000 1.250 171 R HN -0.044 nan 8.270 nan 0.000 0.465 172 L N 0.542 121.767 121.223 0.004 0.000 2.362 172 L HA 0.495 4.836 4.340 0.002 0.000 0.271 172 L C 0.025 176.902 176.870 0.012 0.000 1.002 172 L CA -0.550 54.296 54.840 0.010 0.000 0.818 172 L CB 2.326 44.412 42.059 0.046 0.000 1.298 172 L HN 0.843 nan 8.230 nan 0.000 0.420 173 E N 1.125 121.328 120.200 0.004 0.000 3.029 173 E HA 0.072 4.423 4.350 0.002 0.000 0.196 173 E C 1.004 177.604 176.600 0.001 0.000 0.973 173 E CA -0.038 56.363 56.400 0.001 0.000 1.242 173 E CB 1.103 30.799 29.700 -0.007 0.000 1.056 173 E HN 0.466 nan 8.360 nan 0.000 0.469 174 V N 1.202 121.120 119.914 0.006 0.000 2.282 174 V HA -0.351 3.771 4.120 0.002 0.000 0.249 174 V C 2.204 178.299 176.094 0.000 0.000 1.057 174 V CA 1.929 64.231 62.300 0.005 0.000 1.032 174 V CB -0.379 31.453 31.823 0.014 0.000 0.645 174 V HN 0.266 nan 8.190 nan 0.000 0.447 175 K N 0.009 120.408 120.400 -0.002 0.000 1.978 175 K HA -0.253 4.068 4.320 0.002 0.000 0.214 175 K C 2.209 178.805 176.600 -0.006 0.000 1.049 175 K CA 2.128 58.410 56.287 -0.008 0.000 0.939 175 K CB -0.343 32.149 32.500 -0.013 0.000 0.721 175 K HN 0.443 nan 8.250 nan 0.000 0.441 176 E N 0.191 120.387 120.200 -0.006 0.000 2.130 176 E HA -0.188 4.164 4.350 0.002 0.000 0.196 176 E C 1.948 178.545 176.600 -0.005 0.000 0.998 176 E CA 1.313 57.710 56.400 -0.006 0.000 0.806 176 E CB 0.088 29.784 29.700 -0.006 0.000 0.738 176 E HN 0.152 nan 8.360 nan 0.000 0.459 177 R N -0.669 119.828 120.500 -0.005 0.000 2.189 177 R HA 0.181 4.522 4.340 0.002 0.000 0.203 177 R C 2.126 178.425 176.300 -0.002 0.000 1.012 177 R CA 0.587 56.684 56.100 -0.004 0.000 1.015 177 R CB -0.053 30.245 30.300 -0.005 0.000 0.938 177 R HN 0.263 nan 8.270 nan 0.000 0.472 178 L N -0.491 120.731 121.223 -0.002 0.000 2.445 178 L HA 0.076 4.417 4.340 0.002 0.000 0.207 178 L C 1.765 178.635 176.870 -0.001 0.000 1.053 178 L CA -0.051 54.789 54.840 0.000 0.000 0.841 178 L CB -0.274 41.786 42.059 0.003 0.000 1.074 178 L HN -0.036 nan 8.230 nan 0.000 0.479 179 L N 1.056 122.277 121.223 -0.003 0.000 1.997 179 L HA -0.181 4.160 4.340 0.002 0.000 0.216 179 L C -0.215 176.652 176.870 -0.004 0.000 1.074 179 L CA 2.495 57.332 54.840 -0.004 0.000 0.763 179 L CB -2.119 39.935 42.059 -0.007 0.000 0.890 179 L HN 0.096 nan 8.230 nan 0.000 0.434 180 P HA -0.179 nan 4.420 nan 0.000 0.216 180 P C 1.995 179.294 177.300 -0.003 0.000 1.153 180 P CA 1.118 64.216 63.100 -0.004 0.000 0.858 180 P CB 0.043 31.741 31.700 -0.004 0.000 0.789 181 L N -1.432 119.790 121.223 -0.002 0.000 1.994 181 L HA -0.129 4.212 4.340 0.002 0.000 0.208 181 L C 2.439 179.309 176.870 -0.001 0.000 1.071 181 L CA 1.717 56.556 54.840 -0.001 0.000 0.745 181 L CB -1.691 40.367 42.059 -0.000 0.000 0.892 181 L HN -0.067 nan 8.230 nan 0.000 0.431 182 L N -0.843 120.380 121.223 -0.000 0.000 2.191 182 L HA -0.220 4.121 4.340 0.002 0.000 0.212 182 L C 2.480 179.349 176.870 -0.002 0.000 1.103 182 L CA 0.807 55.647 54.840 -0.000 0.000 0.769 182 L CB -0.485 41.575 42.059 0.001 0.000 0.908 182 L HN 0.233 nan 8.230 nan 0.000 0.438 183 K N 0.605 121.003 120.400 -0.002 0.000 2.097 183 K HA -0.142 4.180 4.320 0.002 0.000 0.205 183 K C 1.653 178.251 176.600 -0.003 0.000 1.050 183 K CA 1.239 57.524 56.287 -0.003 0.000 0.938 183 K CB 0.027 32.524 32.500 -0.004 0.000 0.718 183 K HN 0.138 nan 8.250 nan 0.000 0.442 184 E N -0.285 119.913 120.200 -0.003 0.000 2.463 184 E HA 0.095 4.447 4.350 0.002 0.000 0.191 184 E C 0.606 177.204 176.600 -0.004 0.000 1.083 184 E CA 0.657 57.055 56.400 -0.004 0.000 0.872 184 E CB -0.085 29.613 29.700 -0.004 0.000 0.966 184 E HN 0.515 nan 8.360 nan 0.000 0.491 185 G N 1.847 110.645 108.800 -0.004 0.000 2.179 185 G HA2 -0.309 3.652 3.960 0.002 0.000 0.257 185 G HA3 -0.309 3.652 3.960 0.002 0.000 0.257 185 G C 0.328 175.225 174.900 -0.005 0.000 1.010 185 G CA 0.206 45.303 45.100 -0.004 0.000 0.736 185 G HN 0.319 nan 8.290 nan 0.000 0.513 186 I N 0.571 121.139 120.570 -0.004 0.000 2.474 186 I HA 0.344 4.515 4.170 0.002 0.000 0.287 186 I C 0.882 176.997 176.117 -0.003 0.000 1.048 186 I CA -0.592 60.706 61.300 -0.005 0.000 1.383 186 I CB 1.070 39.068 38.000 -0.004 0.000 1.412 186 I HN -0.014 nan 8.210 nan 0.000 0.531 187 I N 8.420 128.987 120.570 -0.005 0.000 2.307 187 I HA 0.249 4.421 4.170 0.002 0.000 0.287 187 I C -2.241 173.876 176.117 0.000 0.000 1.054 187 I CA -1.888 59.411 61.300 -0.002 0.000 1.218 187 I CB 0.444 38.439 38.000 -0.009 0.000 1.398 187 I HN 0.245 nan 8.210 nan 0.000 0.475 188 P HA 0.077 nan 4.420 nan 0.000 0.281 188 P C -0.345 176.965 177.300 0.017 0.000 1.252 188 P CA -0.259 62.846 63.100 0.009 0.000 0.778 188 P CB 1.323 33.030 31.700 0.010 0.000 0.895 189 V N 3.293 123.216 119.914 0.015 0.000 2.318 189 V HA 0.354 4.475 4.120 0.002 0.000 0.271 189 V C -0.367 175.747 176.094 0.033 0.000 1.030 189 V CA -0.654 61.662 62.300 0.027 0.000 0.844 189 V CB 0.793 32.623 31.823 0.012 0.000 1.015 189 V HN 0.148 nan 8.190 nan 0.000 0.460 190 V N 5.578 125.518 119.914 0.045 0.000 2.546 190 V HA 0.361 4.482 4.120 0.002 0.000 0.284 190 V C 1.132 177.261 176.094 0.059 0.000 1.050 190 V CA 0.190 62.515 62.300 0.042 0.000 0.981 190 V CB 1.668 33.513 31.823 0.036 0.000 0.990 190 V HN 1.073 nan 8.190 nan 0.000 0.474 191 T N 2.436 117.022 114.554 0.053 0.000 2.784 191 T HA 0.357 4.709 4.350 0.002 0.000 0.291 191 T C 0.667 175.427 174.700 0.100 0.000 0.942 191 T CA -0.082 62.063 62.100 0.076 0.000 1.161 191 T CB 0.538 69.441 68.868 0.058 0.000 0.885 191 T HN 0.941 nan 8.240 nan 0.000 0.534 192 G N 1.764 110.648 108.800 0.141 0.000 2.651 192 G HA2 0.406 4.367 3.960 0.002 0.000 0.260 192 G HA3 0.406 4.367 3.960 0.002 0.000 0.260 192 G C 0.103 175.176 174.900 0.288 0.000 1.216 192 G CA -0.451 44.756 45.100 0.179 0.000 0.913 192 G HN 1.202 nan 8.290 nan 0.000 0.535 193 F N -1.840 118.161 119.950 0.085 0.000 2.558 193 F HA -0.237 4.290 4.527 0.001 0.000 0.554 193 F C 0.344 176.198 175.800 0.090 0.000 0.517 193 F CA 1.504 59.564 58.000 0.100 0.000 1.084 193 F CB -1.740 37.315 39.000 0.091 0.000 1.821 193 F HN 0.701 nan 8.300 nan 0.000 0.262 194 I N -0.631 119.898 120.570 -0.069 0.000 2.846 194 I HA 0.923 5.094 4.170 0.002 0.000 0.307 194 I C 0.399 176.473 176.117 -0.071 0.000 1.053 194 I CA -0.255 60.948 61.300 -0.162 0.000 1.050 194 I CB 1.895 39.835 38.000 -0.100 0.000 1.239 194 I HN 0.274 nan 8.210 nan 0.000 0.439 195 G N 1.020 109.782 108.800 -0.063 0.000 2.788 195 G HA2 0.587 4.548 3.960 0.002 0.000 0.293 195 G HA3 0.587 4.548 3.960 0.002 0.000 0.293 195 G C -1.649 173.246 174.900 -0.007 0.000 1.392 195 G CA -0.579 44.500 45.100 -0.035 0.000 0.810 195 G HN 0.707 nan 8.290 nan 0.000 0.508 196 T N -0.849 113.699 114.554 -0.010 0.000 2.887 196 T HA 0.641 4.992 4.350 0.002 0.000 0.288 196 T C -0.014 174.673 174.700 -0.021 0.000 1.021 196 T CA -0.195 61.907 62.100 0.004 0.000 1.000 196 T CB 1.657 70.520 68.868 -0.007 0.000 1.034 196 T HN 0.583 nan 8.240 nan 0.000 0.467 197 T N 1.505 116.049 114.554 -0.017 0.000 2.874 197 T HA 0.239 4.590 4.350 0.002 0.000 0.281 197 T C 1.282 175.926 174.700 -0.094 0.000 0.994 197 T CA -0.271 61.792 62.100 -0.061 0.000 1.015 197 T CB 1.163 70.006 68.868 -0.041 0.000 1.028 197 T HN 0.793 nan 8.240 nan 0.000 0.523 198 E N 0.815 120.959 120.200 -0.094 0.000 2.130 198 E HA -0.159 4.193 4.350 0.002 0.000 0.196 198 E C 1.763 178.283 176.600 -0.133 0.000 0.998 198 E CA 1.776 58.121 56.400 -0.092 0.000 0.806 198 E CB 0.075 29.732 29.700 -0.071 0.000 0.738 198 E HN 0.700 nan 8.360 nan 0.000 0.459 199 E N -1.616 118.456 120.200 -0.213 0.000 2.479 199 E HA 0.082 4.433 4.350 0.002 0.000 0.193 199 E C 1.185 177.503 176.600 -0.470 0.000 1.049 199 E CA 0.789 56.989 56.400 -0.334 0.000 0.870 199 E CB 0.528 29.992 29.700 -0.394 0.000 0.944 199 E HN 0.292 nan 8.360 nan 0.000 0.492 200 G N 0.645 109.232 108.800 -0.355 0.000 2.184 200 G HA2 -0.221 3.740 3.960 0.002 0.000 0.206 200 G HA3 -0.221 3.740 3.960 0.002 0.000 0.206 200 G C -0.380 174.463 174.900 -0.096 0.000 0.995 200 G CA -0.210 44.758 45.100 -0.220 0.000 0.651 200 G HN 0.159 nan 8.290 nan 0.000 0.511 201 Y N 1.680 122.025 120.300 0.075 0.000 2.377 201 Y HA 0.532 5.084 4.550 0.003 0.000 0.330 201 Y C 1.379 177.379 175.900 0.166 0.000 1.108 201 Y CA -1.796 56.380 58.100 0.127 0.000 1.308 201 Y CB 0.394 38.990 38.460 0.226 0.000 1.216 201 Y HN 0.030 nan 8.280 nan 0.000 0.518 202 I N 2.815 123.586 120.570 0.335 0.000 2.710 202 I HA -0.023 4.148 4.170 0.002 0.000 0.286 202 I C 0.730 177.022 176.117 0.291 0.000 1.181 202 I CA 0.615 62.065 61.300 0.250 0.000 1.430 202 I CB 0.131 38.286 38.000 0.259 0.000 1.367 202 I HN 0.613 nan 8.210 nan 0.000 0.577 203 T N 4.975 119.626 114.554 0.161 0.000 2.916 203 T HA 0.602 4.953 4.350 0.002 0.000 0.292 203 T C -0.196 174.477 174.700 -0.046 0.000 1.055 203 T CA -0.445 61.739 62.100 0.140 0.000 1.009 203 T CB 1.664 70.555 68.868 0.038 0.000 1.118 203 T HN 0.799 nan 8.240 nan 0.000 0.497 204 T N 0.734 115.227 114.554 -0.102 0.000 2.912 204 T HA 0.605 4.957 4.350 0.002 0.000 0.288 204 T C 0.592 175.144 174.700 -0.246 0.000 1.030 204 T CA -0.883 60.962 62.100 -0.426 0.000 1.020 204 T CB 0.951 69.411 68.868 -0.679 0.000 1.056 204 T HN 0.413 nan 8.240 nan 0.000 0.480 205 L N 1.241 122.303 121.223 -0.268 0.000 2.700 205 L HA 0.515 4.856 4.340 0.002 0.000 0.234 205 L C 1.265 178.205 176.870 0.118 0.000 1.156 205 L CA -0.235 54.632 54.840 0.045 0.000 0.946 205 L CB -0.722 41.478 42.059 0.234 0.000 1.216 205 L HN 1.247 nan 8.230 nan 0.000 0.493 206 G N 0.604 109.482 108.800 0.131 0.000 2.690 206 G HA2 -0.151 3.810 3.960 0.002 0.000 0.686 206 G HA3 -0.151 3.810 3.960 0.002 0.000 0.686 206 G C -0.608 174.491 174.900 0.332 0.000 1.277 206 G CA -1.103 44.104 45.100 0.178 0.000 0.799 206 G HN 0.074 nan 8.290 nan 0.000 0.613 207 R N 0.515 121.118 120.500 0.172 0.000 2.570 207 R HA 0.461 4.802 4.340 0.002 0.000 0.277 207 R C 1.627 177.919 176.300 -0.012 0.000 1.039 207 R CA 0.903 57.037 56.100 0.057 0.000 1.065 207 R CB 0.226 30.501 30.300 -0.042 0.000 0.964 207 R HN 2.481 nan 8.270 nan 0.000 0.428 208 G N 1.360 110.159 108.800 -0.001 0.000 2.159 208 G HA2 -0.281 3.680 3.960 0.002 0.000 0.256 208 G HA3 -0.281 3.680 3.960 0.002 0.000 0.256 208 G C 1.009 176.078 174.900 0.282 0.000 0.977 208 G CA 0.468 45.621 45.100 0.088 0.000 0.652 208 G HN 0.757 nan 8.290 nan 0.000 0.531 209 G N 0.312 109.334 108.800 0.371 0.000 2.470 209 G HA2 0.057 4.019 3.960 0.002 0.000 0.220 209 G HA3 0.057 4.019 3.960 0.002 0.000 0.220 209 G C 1.816 176.973 174.900 0.427 0.000 1.121 209 G CA 1.946 47.355 45.100 0.514 0.000 0.766 209 G HN 0.763 nan 8.290 nan 0.000 0.553 210 S N 0.774 116.672 115.700 0.330 0.000 2.382 210 S HA -0.103 4.368 4.470 0.002 0.000 0.228 210 S C 1.985 176.693 174.600 0.179 0.000 1.027 210 S CA 1.222 59.563 58.200 0.234 0.000 0.991 210 S CB -0.203 63.105 63.200 0.180 0.000 0.823 210 S HN 0.367 nan 8.310 nan 0.000 0.469 211 D N 0.254 120.760 120.400 0.178 0.000 2.104 211 D HA -0.120 4.521 4.640 0.002 0.000 0.194 211 D C 1.653 178.027 176.300 0.123 0.000 0.994 211 D CA 1.081 55.147 54.000 0.110 0.000 0.830 211 D CB -0.376 40.464 40.800 0.068 0.000 0.959 211 D HN 0.415 nan 8.370 nan 0.000 0.452 212 Y N 2.061 122.374 120.300 0.021 0.000 2.181 212 Y HA -0.208 4.343 4.550 0.002 0.000 0.288 212 Y C 2.447 178.367 175.900 0.034 0.000 1.146 212 Y CA 1.230 59.333 58.100 0.006 0.000 1.164 212 Y CB -0.517 38.017 38.460 0.124 0.000 0.982 212 Y HN -0.133 nan 8.280 nan 0.000 0.515 213 S N 0.476 116.182 115.700 0.010 0.000 2.370 213 S HA -0.255 4.216 4.470 0.002 0.000 0.226 213 S C 2.331 176.901 174.600 -0.051 0.000 1.033 213 S CA 1.268 59.421 58.200 -0.078 0.000 1.011 213 S CB -0.943 62.276 63.200 0.032 0.000 0.852 213 S HN 0.618 nan 8.310 nan 0.000 0.457 214 A N 1.625 124.453 122.820 0.014 0.000 1.902 214 A HA 0.107 4.428 4.320 0.002 0.000 0.217 214 A C 2.382 179.974 177.584 0.012 0.000 1.181 214 A CA 1.719 53.770 52.037 0.024 0.000 0.623 214 A CB -1.098 17.925 19.000 0.039 0.000 0.818 214 A HN 0.536 nan 8.150 nan 0.000 0.443 215 A N -0.377 122.445 122.820 0.003 0.000 1.930 215 A HA 0.008 4.329 4.320 0.002 0.000 0.217 215 A C 2.149 179.732 177.584 -0.003 0.000 1.175 215 A CA 1.474 53.522 52.037 0.018 0.000 0.627 215 A CB -0.541 18.488 19.000 0.048 0.000 0.815 215 A HN 0.470 nan 8.150 nan 0.000 0.443 216 L N -0.791 120.360 121.223 -0.120 0.000 2.072 216 L HA -0.095 4.247 4.340 0.002 0.000 0.205 216 L C 2.423 179.299 176.870 0.012 0.000 1.079 216 L CA 0.994 55.759 54.840 -0.126 0.000 0.752 216 L CB -0.441 41.428 42.059 -0.317 0.000 0.906 216 L HN 0.336 nan 8.230 nan 0.000 0.436 217 I N -0.158 120.408 120.570 -0.008 0.000 2.202 217 I HA -0.180 3.992 4.170 0.002 0.000 0.242 217 I C 2.665 178.809 176.117 0.045 0.000 1.091 217 I CA 1.383 62.694 61.300 0.020 0.000 1.368 217 I CB -0.869 37.137 38.000 0.011 0.000 1.058 217 I HN 0.265 nan 8.210 nan 0.000 0.410 218 G N 0.064 108.895 108.800 0.051 0.000 2.469 218 G HA2 -0.353 3.608 3.960 0.002 0.000 0.219 218 G HA3 -0.353 3.608 3.960 0.002 0.000 0.219 218 G C 1.641 176.584 174.900 0.071 0.000 1.150 218 G CA 1.045 46.179 45.100 0.056 0.000 0.763 218 G HN 0.379 nan 8.290 nan 0.000 0.561 219 Y N 1.637 121.920 120.300 -0.029 0.000 2.089 219 Y HA -0.010 4.542 4.550 0.003 0.000 0.282 219 Y C 2.880 178.763 175.900 -0.029 0.000 1.139 219 Y CA 1.929 60.010 58.100 -0.032 0.000 1.123 219 Y CB -0.589 37.846 38.460 -0.042 0.000 0.980 219 Y HN 0.128 nan 8.280 nan 0.000 0.493 220 G N 0.175 109.058 108.800 0.139 0.000 2.442 220 G HA2 -0.233 3.728 3.960 0.002 0.000 0.219 220 G HA3 -0.233 3.728 3.960 0.002 0.000 0.219 220 G C 1.455 176.327 174.900 -0.047 0.000 1.141 220 G CA 1.274 46.401 45.100 0.044 0.000 0.763 220 G HN 0.457 nan 8.290 nan 0.000 0.554 221 L N -0.051 121.152 121.223 -0.033 0.000 2.558 221 L HA 0.159 4.501 4.340 0.002 0.000 0.225 221 L C 0.337 177.169 176.870 -0.063 0.000 1.128 221 L CA 0.038 54.855 54.840 -0.037 0.000 0.868 221 L CB -0.161 41.892 42.059 -0.012 0.000 1.006 221 L HN 0.123 nan 8.230 nan 0.000 0.454 222 D N 1.074 121.408 120.400 -0.110 0.000 2.697 222 D HA -0.153 4.488 4.640 0.002 0.000 0.238 222 D C 0.528 176.794 176.300 -0.058 0.000 1.152 222 D CA 0.692 54.621 54.000 -0.118 0.000 0.666 222 D CB -0.351 40.381 40.800 -0.115 0.000 1.037 222 D HN 0.379 nan 8.370 nan 0.000 0.423 223 A N 0.373 123.174 122.820 -0.033 0.000 2.406 223 A HA 0.094 4.416 4.320 0.002 0.000 0.243 223 A C 1.339 178.924 177.584 0.002 0.000 1.082 223 A CA 0.038 52.072 52.037 -0.005 0.000 0.786 223 A CB 0.550 19.559 19.000 0.014 0.000 1.029 223 A HN 0.114 nan 8.150 nan 0.000 0.495 224 D N -0.475 119.931 120.400 0.009 0.000 2.194 224 D HA 0.099 4.741 4.640 0.002 0.000 0.204 224 D C 0.286 176.600 176.300 0.023 0.000 0.964 224 D CA 1.492 55.500 54.000 0.014 0.000 0.846 224 D CB 0.160 40.968 40.800 0.013 0.000 0.962 224 D HN 0.480 nan 8.370 nan 0.000 0.490 225 I N -0.147 120.440 120.570 0.029 0.000 2.828 225 I HA 0.216 4.387 4.170 0.002 0.000 0.295 225 I C -1.724 174.415 176.117 0.037 0.000 1.459 225 I CA -0.638 60.681 61.300 0.032 0.000 1.015 225 I CB 2.295 40.310 38.000 0.025 0.000 1.345 225 I HN -0.343 nan 8.210 nan 0.000 0.449 226 I N 6.040 126.630 120.570 0.034 0.000 2.390 226 I HA 0.331 4.502 4.170 0.002 0.000 0.283 226 I C -0.644 175.472 176.117 -0.001 0.000 1.016 226 I CA -0.345 60.973 61.300 0.030 0.000 1.151 226 I CB 1.457 39.481 38.000 0.040 0.000 1.293 226 I HN 0.433 nan 8.210 nan 0.000 0.458 227 E N 6.373 126.577 120.200 0.007 0.000 2.115 227 E HA 0.386 4.737 4.350 0.002 0.000 0.282 227 E C -0.860 175.677 176.600 -0.106 0.000 0.987 227 E CA -0.739 55.622 56.400 -0.066 0.000 0.797 227 E CB 1.777 31.522 29.700 0.075 0.000 1.086 227 E HN 0.373 nan 8.360 nan 0.000 0.397 228 I N 3.483 123.925 120.570 -0.213 0.000 2.301 228 I HA 0.128 4.299 4.170 0.002 0.000 0.292 228 I C -0.800 175.111 176.117 -0.344 0.000 1.046 228 I CA -0.097 61.089 61.300 -0.191 0.000 1.282 228 I CB 0.206 38.138 38.000 -0.113 0.000 1.409 228 I HN 0.420 nan 8.210 nan 0.000 0.484 229 W N 6.149 127.212 121.300 -0.396 0.000 2.308 229 W HA 0.536 5.197 4.660 0.002 0.000 0.311 229 W C 0.778 177.197 176.519 -0.168 0.000 1.088 229 W CA -0.212 56.910 57.345 -0.372 0.000 1.309 229 W CB 1.369 30.332 29.460 -0.828 0.000 1.229 229 W HN 0.399 nan 8.180 nan 0.000 0.427 230 T N 0.865 115.469 114.554 0.083 0.000 2.676 230 T HA 0.221 4.572 4.350 0.002 0.000 0.269 230 T C 0.063 174.886 174.700 0.205 0.000 0.952 230 T CA -0.545 61.633 62.100 0.130 0.000 1.040 230 T CB 1.007 69.921 68.868 0.076 0.000 1.352 230 T HN 0.377 nan 8.240 nan 0.000 0.554 231 D N 0.564 121.126 120.400 0.270 0.000 2.463 231 D HA 0.301 4.943 4.640 0.002 0.000 0.224 231 D C 0.233 176.706 176.300 0.288 0.000 1.174 231 D CA -0.267 53.998 54.000 0.442 0.000 0.829 231 D CB -0.346 40.749 40.800 0.492 0.000 0.993 231 D HN 0.439 nan 8.370 nan 0.000 0.497 232 V N -4.196 115.842 119.914 0.208 0.000 3.049 232 V HA 0.589 4.710 4.120 0.002 0.000 0.309 232 V C -0.073 176.143 176.094 0.203 0.000 1.148 232 V CA -1.068 61.348 62.300 0.193 0.000 0.990 232 V CB 1.841 33.756 31.823 0.154 0.000 1.039 232 V HN -0.108 nan 8.190 nan 0.000 0.430 233 S N 2.772 118.642 115.700 0.284 0.000 3.919 233 S HA 0.591 5.063 4.470 0.002 0.000 0.245 233 S C 0.825 175.452 174.600 0.044 0.000 1.344 233 S CA 0.646 58.938 58.200 0.153 0.000 0.896 233 S CB -0.824 62.463 63.200 0.145 0.000 1.557 233 S HN 2.069 nan 8.310 nan 0.000 0.468 234 G N 1.525 110.327 108.800 0.004 0.000 2.645 234 G HA2 -0.221 3.740 3.960 0.002 0.000 0.239 234 G HA3 -0.221 3.740 3.960 0.002 0.000 0.239 234 G C -0.471 174.444 174.900 0.025 0.000 1.331 234 G CA -0.558 44.507 45.100 -0.057 0.000 0.890 234 G HN 0.665 nan 8.290 nan 0.000 0.572 235 V N 0.813 120.711 119.914 -0.026 0.000 2.465 235 V HA 0.537 4.659 4.120 0.002 0.000 0.279 235 V C 0.187 176.281 176.094 0.001 0.000 1.045 235 V CA -0.340 61.991 62.300 0.051 0.000 0.938 235 V CB 0.946 32.782 31.823 0.022 0.000 0.986 235 V HN 0.580 nan 8.190 nan 0.000 0.467 236 Y N 1.976 122.294 120.300 0.030 0.000 2.354 236 Y HA 0.227 4.779 4.550 0.002 0.000 0.322 236 Y C 2.039 177.980 175.900 0.069 0.000 1.253 236 Y CA 0.167 58.295 58.100 0.046 0.000 1.272 236 Y CB 1.616 40.101 38.460 0.043 0.000 1.255 236 Y HN 0.810 nan 8.280 nan 0.000 0.500 237 T N -2.857 111.838 114.554 0.235 0.000 2.881 237 T HA -0.055 4.296 4.350 0.002 0.000 0.270 237 T C 0.635 175.483 174.700 0.248 0.000 1.068 237 T CA 1.521 63.751 62.100 0.217 0.000 1.131 237 T CB -0.144 68.879 68.868 0.259 0.000 0.871 237 T HN 0.612 nan 8.240 nan 0.000 0.479 238 T N -0.134 114.564 114.554 0.241 0.000 2.739 238 T HA 0.337 4.689 4.350 0.002 0.000 0.303 238 T C -2.192 172.556 174.700 0.079 0.000 1.389 238 T CA -0.794 61.391 62.100 0.142 0.000 1.001 238 T CB 1.689 70.624 68.868 0.112 0.000 1.436 238 T HN 0.104 nan 8.240 nan 0.000 0.500 239 D N 1.985 122.407 120.400 0.036 0.000 2.412 239 D HA 0.250 4.891 4.640 0.002 0.000 0.257 239 D C -1.561 174.699 176.300 -0.067 0.000 1.217 239 D CA -1.460 52.537 54.000 -0.006 0.000 0.897 239 D CB 1.451 42.257 40.800 0.010 0.000 1.132 239 D HN 0.157 nan 8.370 nan 0.000 0.493 240 P HA -0.060 nan 4.420 nan 0.000 0.226 240 P C 0.751 177.983 177.300 -0.112 0.000 1.153 240 P CA 0.710 63.715 63.100 -0.157 0.000 0.777 240 P CB 0.204 31.741 31.700 -0.272 0.000 0.794 241 R N -1.278 119.170 120.500 -0.086 0.000 2.280 241 R HA 0.034 4.375 4.340 0.002 0.000 0.207 241 R C 1.066 177.334 176.300 -0.052 0.000 1.043 241 R CA 0.715 56.779 56.100 -0.061 0.000 1.006 241 R CB -0.467 29.806 30.300 -0.044 0.000 0.885 241 R HN 0.240 nan 8.270 nan 0.000 0.467 242 L N -0.718 120.469 121.223 -0.060 0.000 2.435 242 L HA 0.145 4.486 4.340 0.002 0.000 0.195 242 L C 0.543 177.368 176.870 -0.075 0.000 1.072 242 L CA 0.870 55.677 54.840 -0.054 0.000 0.833 242 L CB 0.147 42.179 42.059 -0.045 0.000 1.081 242 L HN -0.228 nan 8.230 nan 0.000 0.485 243 V N 1.555 121.397 119.914 -0.120 0.000 2.304 243 V HA 0.285 4.406 4.120 0.002 0.000 0.278 243 V C -1.754 174.244 176.094 -0.159 0.000 1.018 243 V CA -0.847 61.346 62.300 -0.179 0.000 0.814 243 V CB 1.466 33.057 31.823 -0.387 0.000 1.021 243 V HN 0.086 nan 8.190 nan 0.000 0.440 244 P HA -0.043 nan 4.420 nan 0.000 0.223 244 P C 1.381 178.656 177.300 -0.043 0.000 1.151 244 P CA 0.876 63.933 63.100 -0.072 0.000 0.787 244 P CB 0.058 31.730 31.700 -0.047 0.000 0.788 245 T N -3.403 111.125 114.554 -0.042 0.000 3.194 245 T HA 0.362 4.713 4.350 0.002 0.000 0.251 245 T C 0.940 175.690 174.700 0.084 0.000 1.132 245 T CA -0.234 61.884 62.100 0.029 0.000 1.028 245 T CB -0.803 68.098 68.868 0.055 0.000 0.976 245 T HN 0.049 nan 8.240 nan 0.000 0.535 246 A N 2.562 125.382 122.820 0.001 0.000 2.561 246 A HA 0.421 4.742 4.320 0.002 0.000 0.234 246 A C 0.724 178.537 177.584 0.383 0.000 1.055 246 A CA -0.491 51.638 52.037 0.153 0.000 0.756 246 A CB -0.017 19.040 19.000 0.095 0.000 0.986 246 A HN 0.817 nan 8.150 nan 0.000 0.505 247 R N 1.899 122.611 120.500 0.354 0.000 2.832 247 R HA 0.644 4.985 4.340 0.002 0.000 0.271 247 R C -0.016 176.149 176.300 -0.225 0.000 0.996 247 R CA -0.984 55.199 56.100 0.139 0.000 0.977 247 R CB 1.133 31.479 30.300 0.077 0.000 1.168 247 R HN 0.740 nan 8.270 nan 0.000 0.482 248 R N 2.113 122.271 120.500 -0.570 0.000 2.522 248 R HA 0.108 4.450 4.340 0.002 0.000 0.284 248 R C -0.586 175.528 176.300 -0.310 0.000 1.032 248 R CA -0.131 55.538 56.100 -0.718 0.000 1.049 248 R CB 0.369 30.344 30.300 -0.542 0.000 0.956 248 R HN 0.652 nan 8.270 nan 0.000 0.422 249 I N 8.638 129.062 120.570 -0.242 0.000 2.301 249 I HA 0.156 4.327 4.170 0.002 0.000 0.292 249 I C -1.627 174.413 176.117 -0.128 0.000 1.046 249 I CA -2.347 58.875 61.300 -0.130 0.000 1.282 249 I CB 1.629 39.583 38.000 -0.076 0.000 1.409 249 I HN 0.554 nan 8.210 nan 0.000 0.484 250 P HA -0.091 nan 4.420 nan 0.000 0.214 250 P C -0.107 177.136 177.300 -0.095 0.000 1.163 250 P CA 1.401 64.442 63.100 -0.099 0.000 0.883 250 P CB 0.262 31.915 31.700 -0.078 0.000 0.788 251 K N -0.710 119.638 120.400 -0.085 0.000 2.316 251 K HA 0.557 4.879 4.320 0.002 0.000 0.251 251 K C -1.344 175.202 176.600 -0.090 0.000 0.934 251 K CA -0.834 55.398 56.287 -0.091 0.000 0.802 251 K CB 1.888 34.340 32.500 -0.081 0.000 1.171 251 K HN -0.191 nan 8.250 nan 0.000 0.426 252 L N 1.419 122.574 121.223 -0.114 0.000 2.455 252 L HA 0.298 4.639 4.340 0.002 0.000 0.264 252 L C -0.457 176.315 176.870 -0.163 0.000 0.968 252 L CA -0.287 54.488 54.840 -0.107 0.000 0.827 252 L CB 2.069 44.075 42.059 -0.089 0.000 1.317 252 L HN 0.780 nan 8.230 nan 0.000 0.407 253 S N 2.274 117.899 115.700 -0.124 0.000 2.617 253 S HA 0.278 4.750 4.470 0.002 0.000 0.269 253 S C 1.053 175.581 174.600 -0.121 0.000 1.292 253 S CA -0.133 57.977 58.200 -0.151 0.000 1.010 253 S CB 0.467 63.637 63.200 -0.049 0.000 0.944 253 S HN 0.469 nan 8.310 nan 0.000 0.536 254 Y N 1.381 121.681 120.300 0.001 0.000 2.139 254 Y HA -0.155 4.397 4.550 0.002 0.000 0.282 254 Y C 2.089 177.994 175.900 0.008 0.000 1.179 254 Y CA 1.641 59.744 58.100 0.004 0.000 1.161 254 Y CB -0.864 37.601 38.460 0.008 0.000 0.970 254 Y HN 0.586 nan 8.280 nan 0.000 0.511 255 I N -0.347 120.319 120.570 0.159 0.000 2.252 255 I HA -0.246 3.925 4.170 0.002 0.000 0.245 255 I C 2.214 178.369 176.117 0.063 0.000 1.102 255 I CA 1.365 62.722 61.300 0.095 0.000 1.385 255 I CB -0.425 37.619 38.000 0.073 0.000 1.064 255 I HN 0.236 nan 8.210 nan 0.000 0.414 256 E N 1.059 121.283 120.200 0.040 0.000 2.058 256 E HA -0.257 4.094 4.350 0.002 0.000 0.194 256 E C 2.367 178.989 176.600 0.036 0.000 0.997 256 E CA 1.419 57.834 56.400 0.026 0.000 0.801 256 E CB -0.241 29.460 29.700 0.001 0.000 0.746 256 E HN 0.522 nan 8.360 nan 0.000 0.450 257 A N 1.238 124.078 122.820 0.033 0.000 1.892 257 A HA -0.243 4.078 4.320 0.002 0.000 0.218 257 A C 2.192 179.813 177.584 0.063 0.000 1.188 257 A CA 1.742 53.804 52.037 0.041 0.000 0.631 257 A CB -0.553 18.470 19.000 0.038 0.000 0.822 257 A HN 0.170 nan 8.150 nan 0.000 0.447 258 M N -0.830 118.814 119.600 0.074 0.000 2.213 258 M HA -0.134 4.348 4.480 0.002 0.000 0.263 258 M C 1.749 178.096 176.300 0.079 0.000 1.062 258 M CA 1.275 56.620 55.300 0.074 0.000 1.105 258 M CB -0.403 32.240 32.600 0.072 0.000 1.385 258 M HN 0.420 nan 8.290 nan 0.000 0.417 259 E N 0.181 120.425 120.200 0.074 0.000 2.358 259 E HA -0.014 4.337 4.350 0.002 0.000 0.195 259 E C 1.987 178.647 176.600 0.100 0.000 1.010 259 E CA 0.735 57.181 56.400 0.078 0.000 0.856 259 E CB 0.022 29.757 29.700 0.059 0.000 0.795 259 E HN 0.557 nan 8.360 nan 0.000 0.504 260 L N 0.718 122.003 121.223 0.103 0.000 2.240 260 L HA 0.042 4.383 4.340 0.002 0.000 0.211 260 L C 1.222 178.213 176.870 0.202 0.000 1.106 260 L CA -0.016 54.907 54.840 0.138 0.000 0.793 260 L CB -0.161 41.962 42.059 0.108 0.000 0.927 260 L HN -0.099 nan 8.230 nan 0.000 0.446 261 A N 0.536 123.440 122.820 0.140 0.000 2.438 261 A HA 0.231 4.552 4.320 0.002 0.000 0.280 261 A C -0.600 177.095 177.584 0.184 0.000 1.160 261 A CA -0.136 51.964 52.037 0.104 0.000 0.821 261 A CB -0.764 18.284 19.000 0.080 0.000 1.101 261 A HN 0.322 nan 8.150 nan 0.000 0.515 262 Y N 0.325 120.671 120.300 0.077 0.000 2.528 262 Y HA 0.675 5.225 4.550 0.001 0.000 0.335 262 Y C -0.510 175.465 175.900 0.125 0.000 1.093 262 Y CA -2.465 55.695 58.100 0.100 0.000 1.134 262 Y CB 0.699 39.201 38.460 0.070 0.000 1.253 262 Y HN 0.481 nan 8.280 nan 0.000 0.478 263 F N 2.444 122.473 119.950 0.132 0.000 2.466 263 F HA 0.476 5.003 4.527 0.000 0.000 0.363 263 F C 0.897 176.722 175.800 0.041 0.000 1.109 263 F CA 1.574 59.595 58.000 0.035 0.000 1.161 263 F CB 0.196 39.224 39.000 0.048 0.000 1.117 263 F HN 0.968 nan 8.300 nan 0.000 0.539 264 G N 3.427 111.945 108.800 -0.471 0.000 3.465 264 G HA2 -0.030 3.932 3.960 0.002 0.000 0.196 264 G HA3 -0.030 3.932 3.960 0.002 0.000 0.196 264 G C 0.116 174.798 174.900 -0.363 0.000 1.170 264 G CA -0.277 44.599 45.100 -0.372 0.000 0.887 264 G HN 0.986 nan 8.290 nan 0.000 0.444 265 A N 0.613 123.123 122.820 -0.518 0.000 2.407 265 A HA 0.565 4.886 4.320 0.002 0.000 0.248 265 A C 1.331 178.735 177.584 -0.301 0.000 1.082 265 A CA 1.474 53.225 52.037 -0.477 0.000 0.785 265 A CB 0.063 18.530 19.000 -0.889 0.000 1.020 265 A HN 1.215 nan 8.150 nan 0.000 0.489 266 K N -0.802 119.500 120.400 -0.163 0.000 3.341 266 K HA -0.187 4.134 4.320 0.002 0.000 0.305 266 K C 0.574 177.127 176.600 -0.080 0.000 1.270 266 K CA 1.422 57.649 56.287 -0.101 0.000 0.897 266 K CB -2.826 29.621 32.500 -0.090 0.000 1.264 266 K HN 1.552 nan 8.250 nan 0.000 0.468 267 V N -4.089 115.777 119.914 -0.080 0.000 3.359 267 V HA 0.382 4.503 4.120 0.002 0.000 0.270 267 V C 0.609 176.702 176.094 -0.002 0.000 1.583 267 V CA 0.016 62.288 62.300 -0.048 0.000 1.019 267 V CB 0.261 32.018 31.823 -0.109 0.000 0.831 267 V HN 0.195 nan 8.190 nan 0.000 0.426 268 L N 3.831 125.069 121.223 0.024 0.000 1.761 268 L HA -0.082 4.259 4.340 0.002 0.000 0.636 268 L C -0.102 176.769 176.870 0.002 0.000 1.008 268 L CA -0.096 54.739 54.840 -0.008 0.000 1.334 268 L CB -1.087 40.958 42.059 -0.024 0.000 2.142 268 L HN 0.820 nan 8.230 nan 0.000 1.031 269 H N 2.678 121.730 119.070 -0.029 0.000 2.852 269 H HA 0.174 4.732 4.556 0.003 0.000 0.362 269 H C -1.884 173.441 175.328 -0.005 0.000 1.122 269 H CA -1.713 54.316 56.048 -0.031 0.000 1.419 269 H CB 0.019 29.746 29.762 -0.057 0.000 1.401 269 H HN 0.267 nan 8.280 nan 0.000 0.609 270 P HA -0.177 nan 4.420 nan 0.000 0.219 270 P C 1.620 178.912 177.300 -0.014 0.000 1.146 270 P CA 1.298 64.416 63.100 0.030 0.000 0.808 270 P CB 0.088 31.820 31.700 0.054 0.000 0.779 271 R N -0.094 120.387 120.500 -0.031 0.000 2.117 271 R HA -0.122 4.219 4.340 0.002 0.000 0.243 271 R C 1.897 178.149 176.300 -0.079 0.000 1.143 271 R CA 2.204 58.243 56.100 -0.103 0.000 0.968 271 R CB -0.753 29.426 30.300 -0.201 0.000 0.863 271 R HN 0.134 nan 8.270 nan 0.000 0.444 272 T N 0.402 114.842 114.554 -0.190 0.000 2.857 272 T HA -0.046 4.306 4.350 0.002 0.000 0.266 272 T C 1.627 176.327 174.700 0.000 0.000 1.048 272 T CA 1.060 63.116 62.100 -0.073 0.000 1.139 272 T CB -0.025 68.682 68.868 -0.268 0.000 0.874 272 T HN 0.118 nan 8.240 nan 0.000 0.455 273 I N 1.148 121.717 120.570 -0.003 0.000 2.353 273 I HA -0.029 4.143 4.170 0.002 0.000 0.248 273 I C 2.465 178.574 176.117 -0.012 0.000 1.119 273 I CA 0.925 62.260 61.300 0.059 0.000 1.417 273 I CB -0.421 37.647 38.000 0.113 0.000 1.078 273 I HN 0.257 nan 8.210 nan 0.000 0.421 274 E N 1.003 121.187 120.200 -0.025 0.000 2.065 274 E HA -0.252 4.099 4.350 0.002 0.000 0.201 274 E C -0.496 176.049 176.600 -0.091 0.000 1.016 274 E CA 1.961 58.324 56.400 -0.062 0.000 0.818 274 E CB -0.826 28.852 29.700 -0.038 0.000 0.749 274 E HN 0.295 nan 8.360 nan 0.000 0.453 275 P HA -0.122 nan 4.420 nan 0.000 0.216 275 P C 0.938 178.285 177.300 0.078 0.000 1.153 275 P CA 2.044 65.123 63.100 -0.035 0.000 0.848 275 P CB -0.082 31.565 31.700 -0.088 0.000 0.787 276 A N -0.716 122.097 122.820 -0.011 0.000 1.898 276 A HA -0.166 4.155 4.320 0.002 0.000 0.216 276 A C 2.277 179.601 177.584 -0.433 0.000 1.181 276 A CA 1.702 53.712 52.037 -0.045 0.000 0.620 276 A CB -1.511 17.554 19.000 0.109 0.000 0.819 276 A HN 0.125 nan 8.150 nan 0.000 0.442 277 M N -0.649 118.447 119.600 -0.839 0.000 2.149 277 M HA -0.206 4.275 4.480 0.002 0.000 0.261 277 M C 2.018 178.011 176.300 -0.512 0.000 1.064 277 M CA 2.344 56.860 55.300 -1.307 0.000 1.102 277 M CB -0.142 32.003 32.600 -0.758 0.000 1.369 277 M HN 0.603 nan 8.290 nan 0.000 0.408 278 E N 0.078 120.141 120.200 -0.229 0.000 2.047 278 E HA -0.167 4.185 4.350 0.002 0.000 0.191 278 E C 1.454 178.040 176.600 -0.024 0.000 0.987 278 E CA 1.154 57.521 56.400 -0.055 0.000 0.799 278 E CB 0.207 29.953 29.700 0.077 0.000 0.752 278 E HN 0.348 nan 8.360 nan 0.000 0.449 279 K N -0.952 119.440 120.400 -0.014 0.000 2.374 279 K HA 0.107 4.428 4.320 0.002 0.000 0.196 279 K C 0.710 177.295 176.600 -0.025 0.000 1.023 279 K CA 0.656 56.920 56.287 -0.038 0.000 1.103 279 K CB 1.095 33.542 32.500 -0.087 0.000 0.848 279 K HN 0.319 nan 8.250 nan 0.000 0.528 280 G N 2.500 111.278 108.800 -0.036 0.000 2.176 280 G HA2 -0.254 3.707 3.960 0.002 0.000 0.252 280 G HA3 -0.254 3.707 3.960 0.002 0.000 0.252 280 G C 0.093 175.079 174.900 0.144 0.000 1.024 280 G CA -0.056 45.090 45.100 0.077 0.000 0.755 280 G HN 0.287 nan 8.290 nan 0.000 0.507 281 I N 1.645 122.284 120.570 0.115 0.000 2.363 281 I HA 0.215 4.386 4.170 0.002 0.000 0.292 281 I C -1.712 174.531 176.117 0.211 0.000 1.075 281 I CA -2.057 59.316 61.300 0.121 0.000 1.333 281 I CB 0.866 38.911 38.000 0.076 0.000 1.415 281 I HN -0.103 nan 8.210 nan 0.000 0.502 282 P HA 0.154 nan 4.420 nan 0.000 0.268 282 P C -0.571 176.765 177.300 0.061 0.000 1.204 282 P CA 0.195 63.344 63.100 0.083 0.000 0.768 282 P CB 0.511 32.223 31.700 0.020 0.000 0.842 283 I N 3.205 123.789 120.570 0.024 0.000 2.377 283 I HA 0.356 4.528 4.170 0.002 0.000 0.293 283 I C -0.237 175.838 176.117 -0.071 0.000 0.987 283 I CA -0.835 60.464 61.300 -0.002 0.000 1.185 283 I CB 1.414 39.431 38.000 0.029 0.000 1.341 283 I HN 0.131 nan 8.210 nan 0.000 0.455 284 L N 8.041 129.203 121.223 -0.101 0.000 2.343 284 L HA 0.503 4.845 4.340 0.002 0.000 0.278 284 L C -0.777 175.943 176.870 -0.249 0.000 0.996 284 L CA -0.429 54.312 54.840 -0.165 0.000 0.831 284 L CB 1.617 43.578 42.059 -0.164 0.000 1.232 284 L HN 0.287 nan 8.230 nan 0.000 0.413 285 V N 5.722 125.495 119.914 -0.234 0.000 2.364 285 V HA 0.512 4.633 4.120 0.002 0.000 0.272 285 V C 0.121 176.007 176.094 -0.347 0.000 1.036 285 V CA -0.584 61.562 62.300 -0.256 0.000 0.880 285 V CB 0.935 32.672 31.823 -0.143 0.000 0.991 285 V HN 0.679 nan 8.190 nan 0.000 0.460 286 K N 2.978 123.047 120.400 -0.551 0.000 2.395 286 K HA 0.447 4.768 4.320 0.002 0.000 0.247 286 K C -0.783 175.569 176.600 -0.412 0.000 0.973 286 K CA -1.053 54.821 56.287 -0.689 0.000 0.828 286 K CB 2.159 33.774 32.500 -1.476 0.000 1.272 286 K HN 0.477 nan 8.250 nan 0.000 0.439 287 N N 1.114 119.708 118.700 -0.177 0.000 2.439 287 N HA 0.085 4.826 4.740 0.002 0.000 0.249 287 N C 0.317 175.993 175.510 0.276 0.000 1.003 287 N CA 0.230 53.336 53.050 0.094 0.000 0.942 287 N CB 1.160 39.734 38.487 0.146 0.000 1.115 287 N HN 0.435 nan 8.380 nan 0.000 0.505 288 T N 2.831 117.565 114.554 0.299 0.000 2.737 288 T HA -0.121 4.230 4.350 0.002 0.000 0.269 288 T C 0.932 175.642 174.700 0.018 0.000 1.040 288 T CA 1.505 63.731 62.100 0.210 0.000 1.142 288 T CB -0.214 68.534 68.868 -0.200 0.000 0.861 288 T HN 0.510 nan 8.240 nan 0.000 0.456 289 F N 0.897 121.027 119.950 0.300 0.000 2.765 289 F HA 0.336 4.864 4.527 0.002 0.000 0.302 289 F C 1.275 177.171 175.800 0.160 0.000 1.111 289 F CA -0.157 57.947 58.000 0.173 0.000 1.359 289 F CB 0.322 39.377 39.000 0.092 0.000 1.097 289 F HN 0.087 nan 8.300 nan 0.000 0.577 290 E N 0.764 121.151 120.200 0.312 0.000 3.428 290 E HA 0.170 4.521 4.350 0.002 0.000 0.286 290 E C -2.327 174.412 176.600 0.232 0.000 1.204 290 E CA -1.243 55.297 56.400 0.234 0.000 1.015 290 E CB 0.828 30.639 29.700 0.186 0.000 1.370 290 E HN 0.009 nan 8.360 nan 0.000 0.391 291 P HA -0.050 nan 4.420 nan 0.000 0.234 291 P C 0.756 178.208 177.300 0.253 0.000 1.167 291 P CA 0.544 63.886 63.100 0.404 0.000 0.763 291 P CB 0.392 32.324 31.700 0.387 0.000 0.835 292 E N -0.825 119.474 120.200 0.165 0.000 2.400 292 E HA 0.051 4.402 4.350 0.002 0.000 0.195 292 E C 0.801 177.440 176.600 0.064 0.000 1.012 292 E CA 0.192 56.656 56.400 0.108 0.000 0.875 292 E CB -0.295 29.461 29.700 0.093 0.000 0.859 292 E HN 0.116 nan 8.360 nan 0.000 0.498 293 S N 0.744 116.478 115.700 0.058 0.000 2.559 293 S HA -0.075 4.396 4.470 0.002 0.000 0.282 293 S C 1.082 175.666 174.600 -0.026 0.000 1.336 293 S CA 0.077 58.288 58.200 0.018 0.000 1.037 293 S CB 0.869 64.084 63.200 0.025 0.000 0.853 293 S HN 0.075 nan 8.310 nan 0.000 0.523 294 E N 2.113 122.287 120.200 -0.044 0.000 2.435 294 E HA 0.221 4.573 4.350 0.002 0.000 0.195 294 E C 1.273 177.807 176.600 -0.111 0.000 1.029 294 E CA 0.586 56.946 56.400 -0.067 0.000 0.865 294 E CB -0.262 29.406 29.700 -0.053 0.000 0.833 294 E HN 0.957 nan 8.360 nan 0.000 0.510 295 G N -0.001 108.726 108.800 -0.121 0.000 2.564 295 G HA2 -0.300 3.662 3.960 0.002 0.000 0.273 295 G HA3 -0.300 3.662 3.960 0.002 0.000 0.273 295 G C -0.104 174.706 174.900 -0.149 0.000 1.242 295 G CA 0.129 45.137 45.100 -0.154 0.000 0.951 295 G HN 0.243 nan 8.290 nan 0.000 0.564 296 T N 0.607 115.069 114.554 -0.154 0.000 2.840 296 T HA 0.517 4.869 4.350 0.002 0.000 0.287 296 T C -0.461 174.160 174.700 -0.132 0.000 0.991 296 T CA -0.290 61.730 62.100 -0.134 0.000 0.964 296 T CB 1.628 70.426 68.868 -0.117 0.000 0.954 296 T HN 0.807 nan 8.240 nan 0.000 0.438 297 L N 5.134 126.284 121.223 -0.123 0.000 2.276 297 L HA 0.625 4.966 4.340 0.002 0.000 0.286 297 L C -0.939 175.841 176.870 -0.150 0.000 1.061 297 L CA -0.360 54.406 54.840 -0.124 0.000 0.807 297 L CB 0.374 42.369 42.059 -0.106 0.000 1.177 297 L HN 0.606 nan 8.230 nan 0.000 0.429 298 I N 5.089 125.551 120.570 -0.180 0.000 2.355 298 I HA 0.513 4.684 4.170 0.002 0.000 0.288 298 I C -0.273 175.542 176.117 -0.504 0.000 0.999 298 I CA -0.182 60.939 61.300 -0.298 0.000 1.163 298 I CB 1.442 39.301 38.000 -0.235 0.000 1.316 298 I HN 0.710 nan 8.210 nan 0.000 0.454 299 T N -0.166 114.033 114.554 -0.591 0.000 2.843 299 T HA 0.314 4.666 4.350 0.002 0.000 0.302 299 T C 0.270 174.700 174.700 -0.451 0.000 1.232 299 T CA -0.838 60.942 62.100 -0.532 0.000 1.009 299 T CB 1.699 70.450 68.868 -0.195 0.000 1.254 299 T HN 0.392 nan 8.240 nan 0.000 0.504 300 N N 0.769 119.420 118.700 -0.081 0.000 2.270 300 N HA -0.061 4.680 4.740 0.002 0.000 0.181 300 N C 0.796 176.317 175.510 0.019 0.000 1.016 300 N CA 0.980 54.091 53.050 0.101 0.000 0.870 300 N CB -0.037 38.577 38.487 0.211 0.000 0.979 300 N HN 0.816 nan 8.380 nan 0.000 0.431 301 D N 1.289 121.683 120.400 -0.010 0.000 2.826 301 D HA -0.124 4.517 4.640 0.002 0.000 0.229 301 D C 0.363 176.643 176.300 -0.035 0.000 1.091 301 D CA -0.027 53.964 54.000 -0.015 0.000 1.061 301 D CB -0.769 40.019 40.800 -0.020 0.000 1.155 301 D HN 0.298 nan 8.370 nan 0.000 0.450 302 M N 0.994 120.577 119.600 -0.029 0.000 2.162 302 M HA -0.117 4.365 4.480 0.002 0.000 0.286 302 M C -0.087 176.200 176.300 -0.023 0.000 1.006 302 M CA 1.275 56.558 55.300 -0.029 0.000 1.047 302 M CB 0.404 32.997 32.600 -0.012 0.000 1.341 302 M HN 0.302 nan 8.290 nan 0.000 0.407 303 E N 0.962 121.148 120.200 -0.023 0.000 2.449 303 E HA 0.307 4.658 4.350 0.002 0.000 0.278 303 E C -1.346 175.245 176.600 -0.016 0.000 1.059 303 E CA -1.033 55.357 56.400 -0.017 0.000 0.854 303 E CB 0.741 30.430 29.700 -0.019 0.000 1.465 303 E HN 0.529 nan 8.360 nan 0.000 0.462 304 M N 2.391 121.984 119.600 -0.013 0.000 3.512 304 M HA 0.151 4.632 4.480 0.002 0.000 0.231 304 M C -0.414 175.878 176.300 -0.014 0.000 1.345 304 M CA -0.214 55.078 55.300 -0.012 0.000 1.504 304 M CB -0.556 32.039 32.600 -0.009 0.000 1.074 304 M HN 0.594 nan 8.290 nan 0.000 0.615 305 S N 0.449 116.139 115.700 -0.017 0.000 2.571 305 S HA -0.034 4.437 4.470 0.002 0.000 0.297 305 S C 1.201 175.792 174.600 -0.015 0.000 1.234 305 S CA -0.262 57.928 58.200 -0.018 0.000 1.120 305 S CB 0.119 63.305 63.200 -0.023 0.000 0.923 305 S HN 0.642 nan 8.310 nan 0.000 0.504 306 D N 2.893 123.286 120.400 -0.011 0.000 2.322 306 D HA -0.182 4.459 4.640 0.002 0.000 0.210 306 D C 0.806 177.102 176.300 -0.006 0.000 0.983 306 D CA 1.132 55.127 54.000 -0.008 0.000 0.902 306 D CB -0.816 39.980 40.800 -0.006 0.000 0.905 306 D HN 0.675 nan 8.370 nan 0.000 0.483 307 S N -0.694 115.001 115.700 -0.008 0.000 2.564 307 S HA 0.257 4.728 4.470 0.002 0.000 0.278 307 S C 1.411 176.006 174.600 -0.009 0.000 1.333 307 S CA -0.835 57.362 58.200 -0.005 0.000 1.048 307 S CB 1.082 64.277 63.200 -0.008 0.000 0.900 307 S HN 0.181 nan 8.310 nan 0.000 0.505 308 I N 1.830 122.397 120.570 -0.005 0.000 2.405 308 I HA 0.046 4.217 4.170 0.002 0.000 0.236 308 I C 0.366 176.456 176.117 -0.044 0.000 1.071 308 I CA 0.176 61.460 61.300 -0.026 0.000 1.398 308 I CB -0.248 37.734 38.000 -0.029 0.000 1.162 308 I HN 0.430 nan 8.210 nan 0.000 0.432 309 V N 2.345 122.229 119.914 -0.050 0.000 2.508 309 V HA -0.003 4.119 4.120 0.002 0.000 0.281 309 V C 0.954 177.035 176.094 -0.021 0.000 1.041 309 V CA 0.323 62.585 62.300 -0.064 0.000 1.016 309 V CB 1.152 32.920 31.823 -0.092 0.000 0.984 309 V HN 0.293 nan 8.190 nan 0.000 0.478 310 K N 3.209 123.597 120.400 -0.020 0.000 2.262 310 K HA 0.543 4.865 4.320 0.002 0.000 0.200 310 K C 0.511 177.117 176.600 0.010 0.000 1.058 310 K CA 0.865 57.147 56.287 -0.010 0.000 0.974 310 K CB 0.569 33.061 32.500 -0.012 0.000 0.910 310 K HN 0.848 nan 8.250 nan 0.000 0.484 311 A N 0.174 123.008 122.820 0.024 0.000 2.602 311 A HA 0.644 4.966 4.320 0.002 0.000 0.290 311 A C -1.721 175.905 177.584 0.071 0.000 1.114 311 A CA -0.775 51.300 52.037 0.064 0.000 0.683 311 A CB 1.079 20.121 19.000 0.070 0.000 1.281 311 A HN 0.101 nan 8.150 nan 0.000 0.416 312 I N 0.777 121.412 120.570 0.108 0.000 2.466 312 I HA 0.500 4.672 4.170 0.002 0.000 0.289 312 I C 0.068 176.224 176.117 0.064 0.000 1.026 312 I CA 0.106 61.459 61.300 0.089 0.000 1.078 312 I CB 2.298 40.378 38.000 0.133 0.000 1.249 312 I HN 0.473 nan 8.210 nan 0.000 0.429 313 S N 2.841 118.548 115.700 0.012 0.000 2.621 313 S HA 0.872 5.343 4.470 0.002 0.000 0.302 313 S C -0.316 174.187 174.600 -0.163 0.000 1.093 313 S CA -0.711 57.469 58.200 -0.034 0.000 1.017 313 S CB 1.938 65.143 63.200 0.008 0.000 1.077 313 S HN 0.713 nan 8.310 nan 0.000 0.517 314 T N -0.879 113.508 114.554 -0.279 0.000 2.903 314 T HA 0.788 5.140 4.350 0.002 0.000 0.299 314 T C -0.961 173.384 174.700 -0.592 0.000 1.093 314 T CA -0.700 61.197 62.100 -0.338 0.000 1.002 314 T CB 0.692 69.446 68.868 -0.191 0.000 1.127 314 T HN 0.445 nan 8.240 nan 0.000 0.488 315 I N 2.095 122.403 120.570 -0.436 0.000 2.512 315 I HA 0.374 4.545 4.170 0.002 0.000 0.287 315 I C 0.691 176.717 176.117 -0.151 0.000 1.069 315 I CA -0.924 60.158 61.300 -0.363 0.000 1.056 315 I CB 2.344 40.166 38.000 -0.296 0.000 1.229 315 I HN 0.840 nan 8.210 nan 0.000 0.429 316 K N 2.194 122.551 120.400 -0.072 0.000 2.367 316 K HA 0.268 4.589 4.320 0.002 0.000 0.195 316 K C 0.287 176.885 176.600 -0.003 0.000 1.060 316 K CA -0.003 56.263 56.287 -0.036 0.000 1.022 316 K CB 0.269 32.753 32.500 -0.026 0.000 0.894 316 K HN 0.336 nan 8.250 nan 0.000 0.540 317 N N 2.319 121.032 118.700 0.021 0.000 2.410 317 N HA 0.033 4.774 4.740 0.002 0.000 0.231 317 N C -0.070 175.462 175.510 0.037 0.000 1.172 317 N CA 0.031 53.102 53.050 0.035 0.000 0.849 317 N CB 0.530 39.049 38.487 0.054 0.000 1.116 317 N HN 0.195 nan 8.380 nan 0.000 0.485 318 V N -3.044 116.884 119.914 0.023 0.000 2.994 318 V HA 1.000 5.121 4.120 0.002 0.000 0.318 318 V C -0.072 176.036 176.094 0.022 0.000 1.085 318 V CA -1.342 60.975 62.300 0.028 0.000 0.998 318 V CB 1.691 33.527 31.823 0.021 0.000 1.063 318 V HN 0.046 nan 8.190 nan 0.000 0.447 319 A N 2.267 125.104 122.820 0.027 0.000 2.475 319 A HA 0.858 5.179 4.320 0.002 0.000 0.301 319 A C -1.327 176.272 177.584 0.024 0.000 1.059 319 A CA -0.655 51.395 52.037 0.023 0.000 0.710 319 A CB 1.757 20.772 19.000 0.025 0.000 1.288 319 A HN 1.491 nan 8.150 nan 0.000 0.408 320 L N 3.004 124.239 121.223 0.020 0.000 2.298 320 L HA 0.622 4.964 4.340 0.002 0.000 0.284 320 L C -1.274 175.606 176.870 0.018 0.000 1.013 320 L CA -0.412 54.440 54.840 0.021 0.000 0.824 320 L CB 0.955 43.025 42.059 0.019 0.000 1.221 320 L HN 0.514 nan 8.230 nan 0.000 0.418 321 I N 4.315 124.897 120.570 0.020 0.000 2.354 321 I HA 0.337 4.508 4.170 0.002 0.000 0.292 321 I C -0.181 175.943 176.117 0.011 0.000 0.989 321 I CA -0.484 60.824 61.300 0.013 0.000 1.188 321 I CB 1.140 39.146 38.000 0.010 0.000 1.342 321 I HN 0.635 nan 8.210 nan 0.000 0.457 322 N N 7.134 125.839 118.700 0.008 0.000 2.469 322 N HA 0.470 5.211 4.740 0.002 0.000 0.253 322 N C -0.997 174.528 175.510 0.025 0.000 0.970 322 N CA -0.297 52.762 53.050 0.014 0.000 0.940 322 N CB 0.808 39.297 38.487 0.003 0.000 1.128 322 N HN 0.446 nan 8.380 nan 0.000 0.503 323 I N 3.651 124.233 120.570 0.020 0.000 2.336 323 I HA 0.399 4.570 4.170 0.002 0.000 0.292 323 I C -0.839 175.321 176.117 0.072 0.000 0.991 323 I CA -0.893 60.406 61.300 -0.002 0.000 1.227 323 I CB 0.711 38.657 38.000 -0.091 0.000 1.366 323 I HN 0.458 nan 8.210 nan 0.000 0.466 324 F N 5.310 125.194 119.950 -0.109 0.000 2.596 324 F HA 0.822 5.349 4.527 0.001 0.000 0.311 324 F C -0.523 175.222 175.800 -0.091 0.000 1.116 324 F CA -0.226 57.721 58.000 -0.088 0.000 0.957 324 F CB 2.230 41.194 39.000 -0.059 0.000 1.250 324 F HN 0.473 nan 8.300 nan 0.000 0.444 325 G N 2.992 111.052 108.800 -1.233 0.000 2.503 325 G HA2 0.484 4.446 3.960 0.002 0.000 0.305 325 G HA3 0.484 4.446 3.960 0.002 0.000 0.305 325 G C -0.063 174.382 174.900 -0.760 0.000 1.575 325 G CA -0.194 44.095 45.100 -1.351 0.000 0.890 325 G HN 1.264 nan 8.290 nan 0.000 0.612 326 A N 0.766 123.223 122.820 -0.605 0.000 1.997 326 A HA 0.048 4.370 4.320 0.002 0.000 0.221 326 A C 2.736 180.200 177.584 -0.200 0.000 1.172 326 A CA 3.029 54.909 52.037 -0.261 0.000 0.645 326 A CB -0.793 18.104 19.000 -0.172 0.000 0.813 326 A HN 2.050 nan 8.150 nan 0.000 0.454 327 G N -1.111 107.559 108.800 -0.217 0.000 2.532 327 G HA2 -0.246 3.716 3.960 0.002 0.000 0.222 327 G HA3 -0.246 3.716 3.960 0.002 0.000 0.222 327 G C 1.364 176.199 174.900 -0.108 0.000 1.102 327 G CA 1.226 46.246 45.100 -0.133 0.000 0.742 327 G HN 0.554 nan 8.290 nan 0.000 0.577 328 M N 0.388 119.904 119.600 -0.140 0.000 2.428 328 M HA 0.198 4.680 4.480 0.002 0.000 0.239 328 M C 0.734 177.000 176.300 -0.057 0.000 1.121 328 M CA -0.155 55.084 55.300 -0.101 0.000 1.019 328 M CB 0.999 33.517 32.600 -0.138 0.000 1.485 328 M HN 0.089 nan 8.290 nan 0.000 0.484 329 V N -0.658 119.225 119.914 -0.052 0.000 2.546 329 V HA 0.908 5.030 4.120 0.002 0.000 0.284 329 V C 0.448 176.533 176.094 -0.014 0.000 1.050 329 V CA 0.367 62.651 62.300 -0.027 0.000 0.981 329 V CB 0.582 32.391 31.823 -0.025 0.000 0.990 329 V HN 0.616 nan 8.190 nan 0.000 0.474 330 G N 3.443 112.241 108.800 -0.003 0.000 2.601 330 G HA2 -0.090 3.871 3.960 0.002 0.000 0.224 330 G HA3 -0.090 3.871 3.960 0.002 0.000 0.224 330 G C 0.221 175.127 174.900 0.010 0.000 1.171 330 G CA 0.313 45.415 45.100 0.003 0.000 1.009 330 G HN 2.186 nan 8.290 nan 0.000 0.589 331 V N -0.215 119.705 119.914 0.010 0.000 3.067 331 V HA 0.619 4.740 4.120 0.002 0.000 0.388 331 V C 0.790 176.895 176.094 0.018 0.000 1.330 331 V CA 0.613 62.922 62.300 0.015 0.000 1.501 331 V CB -0.572 31.259 31.823 0.013 0.000 1.382 331 V HN 1.773 nan 8.190 nan 0.000 0.532 332 S N 0.303 116.015 115.700 0.020 0.000 2.508 332 S HA 0.623 5.094 4.470 0.002 0.000 0.284 332 S C 1.186 175.811 174.600 0.042 0.000 1.192 332 S CA 0.151 58.367 58.200 0.027 0.000 1.070 332 S CB 1.550 64.761 63.200 0.018 0.000 1.004 332 S HN 0.726 nan 8.310 nan 0.000 0.493 333 G N 1.940 110.771 108.800 0.050 0.000 2.882 333 G HA2 0.017 3.978 3.960 0.002 0.000 0.206 333 G HA3 0.017 3.978 3.960 0.002 0.000 0.206 333 G C 0.905 175.858 174.900 0.089 0.000 1.155 333 G CA 0.472 45.609 45.100 0.062 0.000 0.800 333 G HN 0.772 nan 8.290 nan 0.000 0.524 334 T N 1.596 116.204 114.554 0.091 0.000 2.653 334 T HA -0.207 4.144 4.350 0.002 0.000 0.268 334 T C 2.830 177.576 174.700 0.075 0.000 1.035 334 T CA 1.711 63.878 62.100 0.111 0.000 1.154 334 T CB -0.319 68.562 68.868 0.021 0.000 0.862 334 T HN 0.420 nan 8.240 nan 0.000 0.441 335 A N 1.544 124.406 122.820 0.070 0.000 1.865 335 A HA 0.064 4.385 4.320 0.002 0.000 0.217 335 A C 2.694 180.407 177.584 0.216 0.000 1.191 335 A CA 2.132 54.242 52.037 0.122 0.000 0.623 335 A CB -1.274 17.851 19.000 0.208 0.000 0.826 335 A HN 0.544 nan 8.150 nan 0.000 0.444 336 A N -0.564 122.371 122.820 0.192 0.000 1.940 336 A HA -0.175 4.146 4.320 0.002 0.000 0.219 336 A C 2.256 179.926 177.584 0.143 0.000 1.176 336 A CA 1.677 53.827 52.037 0.188 0.000 0.631 336 A CB -0.419 18.648 19.000 0.111 0.000 0.814 336 A HN 0.574 nan 8.150 nan 0.000 0.446 337 R N -0.642 119.920 120.500 0.103 0.000 2.093 337 R HA 0.046 4.388 4.340 0.002 0.000 0.224 337 R C 1.932 178.274 176.300 0.071 0.000 1.101 337 R CA 0.993 57.133 56.100 0.068 0.000 0.979 337 R CB -0.289 30.055 30.300 0.073 0.000 0.877 337 R HN 0.440 nan 8.270 nan 0.000 0.441 338 I N 0.487 121.068 120.570 0.018 0.000 2.091 338 I HA -0.288 3.883 4.170 0.002 0.000 0.239 338 I C 1.908 177.883 176.117 -0.237 0.000 1.061 338 I CA 1.918 63.106 61.300 -0.187 0.000 1.317 338 I CB -0.888 36.737 38.000 -0.626 0.000 1.031 338 I HN 0.072 nan 8.210 nan 0.000 0.401 339 F N 0.975 120.961 119.950 0.060 0.000 2.558 339 F HA -0.032 4.497 4.527 0.002 0.000 0.298 339 F C 2.419 178.229 175.800 0.017 0.000 1.119 339 F CA 0.627 58.644 58.000 0.029 0.000 1.451 339 F CB -0.707 38.302 39.000 0.015 0.000 1.091 339 F HN 0.067 nan 8.300 nan 0.000 0.563 340 K N 1.216 121.705 120.400 0.147 0.000 1.973 340 K HA -0.126 4.195 4.320 0.002 0.000 0.210 340 K C 2.403 179.027 176.600 0.041 0.000 1.045 340 K CA 1.364 57.696 56.287 0.075 0.000 0.937 340 K CB -0.463 32.058 32.500 0.035 0.000 0.721 340 K HN 0.119 nan 8.250 nan 0.000 0.438 341 A N 1.038 123.867 122.820 0.015 0.000 1.948 341 A HA -0.171 4.150 4.320 0.002 0.000 0.220 341 A C 2.037 179.637 177.584 0.027 0.000 1.177 341 A CA 1.466 53.506 52.037 0.005 0.000 0.636 341 A CB -0.577 18.427 19.000 0.007 0.000 0.815 341 A HN 0.342 nan 8.150 nan 0.000 0.449 342 L N -0.529 120.720 121.223 0.043 0.000 2.109 342 L HA 0.022 4.364 4.340 0.002 0.000 0.207 342 L C 2.724 179.628 176.870 0.057 0.000 1.086 342 L CA 1.705 56.578 54.840 0.055 0.000 0.760 342 L CB -1.510 40.598 42.059 0.082 0.000 0.910 342 L HN 0.386 nan 8.230 nan 0.000 0.437 343 G N -0.910 107.931 108.800 0.068 0.000 2.418 343 G HA2 -0.247 3.714 3.960 0.002 0.000 0.217 343 G HA3 -0.247 3.714 3.960 0.002 0.000 0.217 343 G C 1.479 176.397 174.900 0.030 0.000 1.158 343 G CA 0.651 45.779 45.100 0.047 0.000 0.771 343 G HN 0.451 nan 8.290 nan 0.000 0.545 344 E N 0.034 120.250 120.200 0.027 0.000 2.118 344 E HA -0.129 4.222 4.350 0.002 0.000 0.195 344 E C 2.150 178.762 176.600 0.020 0.000 0.992 344 E CA 1.088 57.499 56.400 0.018 0.000 0.804 344 E CB -0.025 29.680 29.700 0.009 0.000 0.741 344 E HN 0.366 nan 8.360 nan 0.000 0.458 345 E N 0.406 120.620 120.200 0.024 0.000 2.489 345 E HA -0.049 4.302 4.350 0.002 0.000 0.193 345 E C -0.358 176.260 176.600 0.030 0.000 1.057 345 E CA 0.081 56.496 56.400 0.026 0.000 0.866 345 E CB 0.085 29.802 29.700 0.027 0.000 0.916 345 E HN 0.052 nan 8.360 nan 0.000 0.500 346 E N -1.269 118.948 120.200 0.029 0.000 2.586 346 E HA -0.160 4.192 4.350 0.002 0.000 0.259 346 E C -1.275 175.343 176.600 0.029 0.000 1.107 346 E CA 0.468 56.885 56.400 0.030 0.000 0.754 346 E CB -1.405 28.320 29.700 0.041 0.000 1.335 346 E HN 0.037 nan 8.360 nan 0.000 0.411 347 V N 1.847 121.775 119.914 0.023 0.000 2.348 347 V HA 0.235 4.356 4.120 0.002 0.000 0.270 347 V C 0.468 176.558 176.094 -0.008 0.000 1.037 347 V CA -0.449 61.865 62.300 0.024 0.000 0.872 347 V CB 1.289 33.132 31.823 0.034 0.000 1.002 347 V HN 0.337 nan 8.190 nan 0.000 0.464 348 N N 4.167 122.837 118.700 -0.051 0.000 2.483 348 N HA 0.145 4.886 4.740 0.002 0.000 0.264 348 N C -0.667 174.800 175.510 -0.073 0.000 1.197 348 N CA 0.135 53.082 53.050 -0.171 0.000 0.927 348 N CB 1.565 39.798 38.487 -0.423 0.000 1.065 348 N HN 0.455 nan 8.380 nan 0.000 0.461 349 V N 6.051 125.925 119.914 -0.066 0.000 2.347 349 V HA 0.347 4.468 4.120 0.002 0.000 0.280 349 V C 0.760 176.848 176.094 -0.010 0.000 1.021 349 V CA -0.381 61.929 62.300 0.017 0.000 0.847 349 V CB 0.306 32.201 31.823 0.119 0.000 0.990 349 V HN 0.799 nan 8.190 nan 0.000 0.444 350 I N 5.949 126.535 120.570 0.026 0.000 2.429 350 I HA 0.164 4.335 4.170 0.002 0.000 0.247 350 I C 0.138 176.282 176.117 0.045 0.000 1.099 350 I CA 0.793 62.119 61.300 0.043 0.000 1.422 350 I CB 0.159 38.206 38.000 0.079 0.000 1.112 350 I HN 0.388 nan 8.210 nan 0.000 0.430 351 L N 0.481 121.736 121.223 0.053 0.000 2.354 351 L HA 0.565 4.906 4.340 0.002 0.000 0.269 351 L C -0.843 176.074 176.870 0.078 0.000 1.005 351 L CA -0.304 54.570 54.840 0.056 0.000 0.819 351 L CB 2.190 44.281 42.059 0.052 0.000 1.311 351 L HN -0.072 nan 8.230 nan 0.000 0.423 352 I N 1.008 121.624 120.570 0.076 0.000 2.499 352 I HA 0.539 4.710 4.170 0.002 0.000 0.288 352 I C -0.685 175.481 176.117 0.082 0.000 1.048 352 I CA -0.427 60.937 61.300 0.107 0.000 1.062 352 I CB 2.114 40.188 38.000 0.124 0.000 1.238 352 I HN 0.460 nan 8.210 nan 0.000 0.426 353 S N 5.497 121.247 115.700 0.082 0.000 2.538 353 S HA 0.469 4.940 4.470 0.002 0.000 0.288 353 S C -1.267 173.372 174.600 0.065 0.000 1.108 353 S CA -0.434 57.804 58.200 0.064 0.000 0.971 353 S CB 1.848 65.078 63.200 0.050 0.000 1.041 353 S HN 0.649 nan 8.310 nan 0.000 0.483 354 Q N 3.474 123.308 119.800 0.057 0.000 2.295 354 Q HA 0.403 4.745 4.340 0.002 0.000 0.259 354 Q C -0.142 175.881 176.000 0.038 0.000 0.966 354 Q CA -0.513 55.322 55.803 0.053 0.000 0.763 354 Q CB 1.353 30.132 28.738 0.068 0.000 1.283 354 Q HN 0.926 nan 8.270 nan 0.000 0.445 355 G N 1.136 109.955 108.800 0.031 0.000 2.599 355 G HA2 0.174 4.135 3.960 0.002 0.000 0.264 355 G HA3 0.174 4.135 3.960 0.002 0.000 0.264 355 G C 1.004 175.917 174.900 0.022 0.000 1.200 355 G CA 0.215 45.328 45.100 0.021 0.000 0.896 355 G HN 0.723 nan 8.290 nan 0.000 0.536 356 S N -0.853 114.856 115.700 0.015 0.000 2.440 356 S HA -0.210 4.261 4.470 0.002 0.000 0.238 356 S C 2.287 176.897 174.600 0.015 0.000 1.010 356 S CA 1.767 59.975 58.200 0.013 0.000 0.972 356 S CB -0.491 62.714 63.200 0.008 0.000 0.774 356 S HN 0.934 nan 8.310 nan 0.000 0.501 357 S N 1.086 116.798 115.700 0.020 0.000 2.461 357 S HA 0.040 4.511 4.470 0.002 0.000 0.228 357 S C 0.805 175.419 174.600 0.022 0.000 1.005 357 S CA 0.728 58.942 58.200 0.022 0.000 0.942 357 S CB -0.658 62.562 63.200 0.034 0.000 0.776 357 S HN 0.654 nan 8.310 nan 0.000 0.514 358 E N -0.244 119.971 120.200 0.026 0.000 3.799 358 E HA -0.204 4.147 4.350 0.002 0.000 0.320 358 E C 0.899 177.508 176.600 0.016 0.000 0.760 358 E CA 1.174 57.586 56.400 0.021 0.000 1.153 358 E CB -2.430 27.276 29.700 0.011 0.000 1.589 358 E HN 0.879 nan 8.360 nan 0.000 0.448 359 T N -1.828 112.751 114.554 0.041 0.000 3.160 359 T HA 0.054 4.405 4.350 0.002 0.000 0.257 359 T C 0.495 175.281 174.700 0.144 0.000 1.147 359 T CA 0.231 62.365 62.100 0.057 0.000 1.064 359 T CB 0.120 69.084 68.868 0.159 0.000 0.949 359 T HN 0.092 nan 8.240 nan 0.000 0.526 360 N N 0.442 119.209 118.700 0.111 0.000 2.406 360 N HA 0.449 5.190 4.740 0.002 0.000 0.283 360 N C -1.766 173.782 175.510 0.062 0.000 1.074 360 N CA -0.503 52.625 53.050 0.129 0.000 0.916 360 N CB 2.325 40.889 38.487 0.128 0.000 1.639 360 N HN 0.218 nan 8.380 nan 0.000 0.485 361 I N 1.191 121.786 120.570 0.042 0.000 2.466 361 I HA 0.297 4.468 4.170 0.002 0.000 0.289 361 I C -0.124 176.013 176.117 0.033 0.000 1.026 361 I CA -0.497 60.824 61.300 0.035 0.000 1.078 361 I CB 1.983 39.989 38.000 0.011 0.000 1.249 361 I HN 0.192 nan 8.210 nan 0.000 0.429 362 S N 6.897 122.624 115.700 0.046 0.000 2.451 362 S HA 0.736 5.207 4.470 0.002 0.000 0.301 362 S C -0.449 174.186 174.600 0.059 0.000 1.116 362 S CA -0.569 57.655 58.200 0.041 0.000 1.093 362 S CB 1.146 64.367 63.200 0.036 0.000 1.017 362 S HN 0.326 nan 8.310 nan 0.000 0.482 363 L N 2.491 123.744 121.223 0.050 0.000 2.370 363 L HA 0.734 5.075 4.340 0.002 0.000 0.266 363 L C -0.599 176.303 176.870 0.053 0.000 1.002 363 L CA -1.054 53.828 54.840 0.069 0.000 0.818 363 L CB 1.866 43.969 42.059 0.074 0.000 1.325 363 L HN 0.400 nan 8.230 nan 0.000 0.418 364 V N 3.965 123.913 119.914 0.057 0.000 2.417 364 V HA 0.779 4.901 4.120 0.002 0.000 0.291 364 V C -0.422 175.703 176.094 0.052 0.000 1.024 364 V CA -0.303 62.024 62.300 0.046 0.000 0.861 364 V CB 1.850 33.695 31.823 0.036 0.000 0.985 364 V HN 0.568 nan 8.190 nan 0.000 0.436 365 V N 3.401 123.345 119.914 0.049 0.000 3.155 365 V HA 0.832 4.953 4.120 0.002 0.000 0.313 365 V C 0.103 176.234 176.094 0.062 0.000 1.162 365 V CA -0.168 62.166 62.300 0.056 0.000 1.048 365 V CB 1.721 33.574 31.823 0.049 0.000 1.092 365 V HN 1.238 nan 8.190 nan 0.000 0.447 366 S N 0.076 115.823 115.700 0.079 0.000 2.580 366 S HA 0.253 4.724 4.470 0.002 0.000 0.274 366 S C 0.861 175.496 174.600 0.059 0.000 1.329 366 S CA 0.137 58.385 58.200 0.080 0.000 1.036 366 S CB 0.811 64.077 63.200 0.110 0.000 0.919 366 S HN 0.857 nan 8.310 nan 0.000 0.515 367 E N 1.901 122.130 120.200 0.048 0.000 2.136 367 E HA -0.272 4.079 4.350 0.002 0.000 0.208 367 E C 1.909 178.531 176.600 0.037 0.000 1.035 367 E CA 2.172 58.594 56.400 0.037 0.000 0.838 367 E CB -0.247 29.472 29.700 0.031 0.000 0.748 367 E HN 1.014 nan 8.360 nan 0.000 0.459 368 E N 0.216 120.441 120.200 0.043 0.000 2.482 368 E HA -0.132 4.220 4.350 0.002 0.000 0.196 368 E C 0.593 177.219 176.600 0.042 0.000 1.047 368 E CA 0.729 57.153 56.400 0.040 0.000 0.869 368 E CB 0.103 29.828 29.700 0.042 0.000 0.836 368 E HN 0.098 nan 8.360 nan 0.000 0.520 369 D N 0.771 121.199 120.400 0.047 0.000 2.369 369 D HA 0.061 4.702 4.640 0.002 0.000 0.211 369 D C 1.762 178.085 176.300 0.038 0.000 1.077 369 D CA 0.005 54.033 54.000 0.046 0.000 0.842 369 D CB 0.820 41.653 40.800 0.055 0.000 0.947 369 D HN 0.040 nan 8.370 nan 0.000 0.509 370 V N 1.525 121.459 119.914 0.034 0.000 2.237 370 V HA -0.242 3.879 4.120 0.002 0.000 0.245 370 V C 1.819 177.928 176.094 0.026 0.000 1.046 370 V CA 1.834 64.151 62.300 0.028 0.000 1.007 370 V CB -0.251 31.587 31.823 0.025 0.000 0.638 370 V HN 0.098 nan 8.190 nan 0.000 0.445 371 D N -0.088 120.327 120.400 0.025 0.000 2.144 371 D HA -0.152 4.489 4.640 0.002 0.000 0.199 371 D C 2.172 178.487 176.300 0.025 0.000 0.984 371 D CA 1.128 55.142 54.000 0.023 0.000 0.834 371 D CB -0.308 40.504 40.800 0.021 0.000 0.955 371 D HN 0.454 nan 8.370 nan 0.000 0.465 372 K N 0.691 121.107 120.400 0.027 0.000 2.057 372 K HA -0.039 4.283 4.320 0.002 0.000 0.207 372 K C 2.155 178.773 176.600 0.029 0.000 1.049 372 K CA 1.210 57.514 56.287 0.028 0.000 0.931 372 K CB -0.079 32.440 32.500 0.032 0.000 0.714 372 K HN 0.064 nan 8.250 nan 0.000 0.440 373 A N 1.448 124.286 122.820 0.030 0.000 1.872 373 A HA -0.078 4.243 4.320 0.002 0.000 0.214 373 A C 2.160 179.763 177.584 0.031 0.000 1.187 373 A CA 0.992 53.046 52.037 0.030 0.000 0.614 373 A CB -0.585 18.431 19.000 0.027 0.000 0.826 373 A HN 0.127 nan 8.150 nan 0.000 0.442 374 L N -0.612 120.629 121.223 0.029 0.000 2.042 374 L HA -0.218 4.123 4.340 0.002 0.000 0.210 374 L C 2.662 179.555 176.870 0.038 0.000 1.076 374 L CA 1.971 56.829 54.840 0.030 0.000 0.749 374 L CB -0.331 41.743 42.059 0.025 0.000 0.893 374 L HN 0.404 nan 8.230 nan 0.000 0.432 375 K N -0.264 120.155 120.400 0.032 0.000 2.097 375 K HA -0.148 4.173 4.320 0.002 0.000 0.205 375 K C 2.128 178.748 176.600 0.033 0.000 1.050 375 K CA 1.135 57.440 56.287 0.030 0.000 0.938 375 K CB -0.051 32.462 32.500 0.023 0.000 0.718 375 K HN 0.294 nan 8.250 nan 0.000 0.442 376 A N 1.009 123.849 122.820 0.034 0.000 1.933 376 A HA -0.116 4.205 4.320 0.002 0.000 0.218 376 A C 2.021 179.638 177.584 0.055 0.000 1.175 376 A CA 1.147 53.203 52.037 0.032 0.000 0.628 376 A CB -0.436 18.583 19.000 0.031 0.000 0.814 376 A HN 0.248 nan 8.150 nan 0.000 0.444 377 L N -0.053 121.226 121.223 0.093 0.000 2.044 377 L HA -0.166 4.175 4.340 0.002 0.000 0.205 377 L C 2.615 179.633 176.870 0.246 0.000 1.075 377 L CA 1.698 56.659 54.840 0.203 0.000 0.747 377 L CB -0.433 41.712 42.059 0.143 0.000 0.903 377 L HN 0.541 nan 8.230 nan 0.000 0.435 378 K N 0.500 120.981 120.400 0.134 0.000 2.362 378 K HA -0.217 4.104 4.320 0.002 0.000 0.200 378 K C 2.094 178.732 176.600 0.064 0.000 1.046 378 K CA 1.208 57.562 56.287 0.110 0.000 0.952 378 K CB -0.224 32.316 32.500 0.066 0.000 0.753 378 K HN 0.141 nan 8.250 nan 0.000 0.466 379 R N 1.859 122.377 120.500 0.030 0.000 2.062 379 R HA -0.147 4.194 4.340 0.002 0.000 0.231 379 R C 2.100 178.342 176.300 -0.098 0.000 1.136 379 R CA 1.848 57.934 56.100 -0.023 0.000 0.948 379 R CB -0.286 30.000 30.300 -0.023 0.000 0.845 379 R HN 0.264 nan 8.270 nan 0.000 0.430 380 E N -1.237 118.857 120.200 -0.178 0.000 2.274 380 E HA 0.029 4.380 4.350 0.002 0.000 0.194 380 E C -0.260 175.846 176.600 -0.822 0.000 0.996 380 E CA 0.994 57.075 56.400 -0.532 0.000 0.840 380 E CB 0.144 29.427 29.700 -0.694 0.000 0.772 380 E HN 0.348 nan 8.360 nan 0.000 0.491 381 F N -3.208 116.729 119.950 -0.021 0.000 3.336 381 F HA 0.607 5.135 4.527 0.001 0.000 0.214 381 F C 1.532 177.322 175.800 -0.016 0.000 1.614 381 F CA -0.334 57.653 58.000 -0.022 0.000 0.939 381 F CB 0.245 39.228 39.000 -0.028 0.000 1.865 381 F HN -0.181 nan 8.300 nan 0.000 0.306 382 G N -1.938 106.998 108.800 0.225 0.000 3.355 382 G HA2 0.275 4.237 3.960 0.002 0.000 0.198 382 G HA3 0.275 4.237 3.960 0.002 0.000 0.198 382 G C -0.907 174.038 174.900 0.074 0.000 1.540 382 G CA 0.253 45.416 45.100 0.105 0.000 0.796 382 G HN 0.451 nan 8.290 nan 0.000 0.900 389 F N 1.542 121.482 119.950 -0.017 0.000 2.619 389 F HA 0.445 4.973 4.527 0.002 0.000 0.293 389 F C 1.368 177.159 175.800 -0.015 0.000 1.119 389 F CA 0.070 58.056 58.000 -0.025 0.000 1.445 389 F CB -0.312 38.670 39.000 -0.030 0.000 1.119 389 F HN 0.407 nan 8.300 nan 0.000 0.573 390 L N 1.549 122.446 121.223 -0.544 0.000 2.275 390 L HA -0.094 4.247 4.340 0.002 0.000 0.215 390 L C 0.694 177.482 176.870 -0.136 0.000 1.119 390 L CA 0.332 54.974 54.840 -0.329 0.000 0.790 390 L CB -0.887 40.910 42.059 -0.437 0.000 0.919 390 L HN 0.293 nan 8.230 nan 0.000 0.443 391 N N -0.064 118.568 118.700 -0.112 0.000 2.514 391 N HA -0.081 4.660 4.740 0.002 0.000 0.277 391 N C 0.605 176.114 175.510 -0.002 0.000 1.126 391 N CA -0.123 52.900 53.050 -0.045 0.000 0.978 391 N CB 0.582 39.047 38.487 -0.036 0.000 1.106 391 N HN -0.015 nan 8.380 nan 0.000 0.461 392 N N 2.311 121.017 118.700 0.010 0.000 2.165 392 N HA -0.316 4.425 4.740 0.002 0.000 0.200 392 N C -0.123 175.419 175.510 0.053 0.000 0.991 392 N CA 1.093 54.161 53.050 0.030 0.000 0.904 392 N CB -0.588 37.914 38.487 0.026 0.000 1.068 392 N HN 0.712 nan 8.380 nan 0.000 0.530 393 N N 0.144 118.882 118.700 0.062 0.000 1.960 393 N HA -0.196 4.545 4.740 0.002 0.000 0.299 393 N C 0.961 176.502 175.510 0.052 0.000 1.267 393 N CA 0.230 53.333 53.050 0.087 0.000 0.802 393 N CB 0.379 38.903 38.487 0.062 0.000 1.031 393 N HN 0.255 nan 8.380 nan 0.000 0.490 394 L N 3.985 125.233 121.223 0.042 0.000 2.388 394 L HA 0.263 4.604 4.340 0.002 0.000 0.209 394 L C 0.771 177.537 176.870 -0.174 0.000 1.061 394 L CA 0.213 55.029 54.840 -0.041 0.000 0.834 394 L CB 0.143 42.203 42.059 0.001 0.000 1.029 394 L HN 0.543 nan 8.230 nan 0.000 0.473 395 I N 0.151 120.550 120.570 -0.284 0.000 2.496 395 I HA 0.028 4.199 4.170 0.002 0.000 0.285 395 I C 1.203 177.186 176.117 -0.224 0.000 1.080 395 I CA 0.039 61.120 61.300 -0.364 0.000 1.404 395 I CB 1.130 38.776 38.000 -0.589 0.000 1.403 395 I HN 0.150 nan 8.210 nan 0.000 0.539 396 R N 2.904 123.260 120.500 -0.240 0.000 2.142 396 R HA 0.184 4.526 4.340 0.002 0.000 0.204 396 R C -0.066 176.247 176.300 0.020 0.000 1.059 396 R CA 0.804 56.836 56.100 -0.112 0.000 1.055 396 R CB 0.238 30.436 30.300 -0.169 0.000 0.976 396 R HN 0.657 nan 8.270 nan 0.000 0.483 397 D N -0.031 120.431 120.400 0.103 0.000 2.990 397 D HA 0.111 4.752 4.640 0.002 0.000 0.227 397 D C -1.572 174.795 176.300 0.110 0.000 1.249 397 D CA -0.293 53.798 54.000 0.151 0.000 0.891 397 D CB 2.607 43.554 40.800 0.245 0.000 1.647 397 D HN -0.194 nan 8.370 nan 0.000 0.530 398 V N 2.812 122.752 119.914 0.044 0.000 2.409 398 V HA 0.532 4.654 4.120 0.002 0.000 0.291 398 V C -0.788 175.317 176.094 0.019 0.000 1.020 398 V CA -0.171 62.140 62.300 0.019 0.000 0.848 398 V CB 1.525 33.340 31.823 -0.013 0.000 0.990 398 V HN 0.528 nan 8.190 nan 0.000 0.430 399 S N 4.415 120.125 115.700 0.015 0.000 2.501 399 S HA 0.770 5.241 4.470 0.002 0.000 0.301 399 S C -1.030 173.572 174.600 0.004 0.000 1.096 399 S CA -0.423 57.780 58.200 0.005 0.000 1.063 399 S CB 1.781 64.976 63.200 -0.008 0.000 1.042 399 S HN 1.027 nan 8.310 nan 0.000 0.494 400 V N 3.711 123.627 119.914 0.004 0.000 2.540 400 V HA 0.611 4.733 4.120 0.002 0.000 0.302 400 V C -1.517 174.580 176.094 0.005 0.000 1.035 400 V CA -0.564 61.740 62.300 0.007 0.000 0.873 400 V CB 1.930 33.758 31.823 0.010 0.000 0.992 400 V HN 0.918 nan 8.190 nan 0.000 0.428 401 D N 5.643 126.047 120.400 0.008 0.000 2.469 401 D HA 0.393 5.035 4.640 0.002 0.000 0.251 401 D C -0.482 175.824 176.300 0.010 0.000 1.173 401 D CA -0.310 53.694 54.000 0.007 0.000 0.882 401 D CB 1.453 42.256 40.800 0.006 0.000 1.129 401 D HN 0.604 nan 8.370 nan 0.000 0.549 402 K N 1.278 121.684 120.400 0.009 0.000 2.109 402 K HA 0.231 4.553 4.320 0.002 0.000 0.243 402 K C -0.080 176.526 176.600 0.010 0.000 1.006 402 K CA -0.728 55.565 56.287 0.011 0.000 0.917 402 K CB 0.882 33.389 32.500 0.011 0.000 1.081 402 K HN 0.237 nan 8.250 nan 0.000 0.468 403 D N 0.460 120.866 120.400 0.010 0.000 2.689 403 D HA -0.137 4.505 4.640 0.002 0.000 0.237 403 D C -0.443 175.861 176.300 0.007 0.000 1.148 403 D CA 0.872 54.877 54.000 0.008 0.000 0.656 403 D CB -1.194 39.611 40.800 0.008 0.000 1.050 403 D HN 0.332 nan 8.370 nan 0.000 0.426 404 V N -2.488 117.430 119.914 0.006 0.000 3.166 404 V HA 0.861 4.983 4.120 0.002 0.000 0.317 404 V C 0.646 176.733 176.094 -0.012 0.000 1.136 404 V CA -0.577 61.724 62.300 0.002 0.000 1.035 404 V CB 2.513 34.340 31.823 0.007 0.000 1.110 404 V HN 0.493 nan 8.190 nan 0.000 0.450 405 C N -0.211 119.072 119.300 -0.028 0.000 3.080 405 C HA 0.936 5.397 4.460 0.002 0.000 0.307 405 C C -0.367 174.560 174.990 -0.105 0.000 1.311 405 C CA -0.672 58.307 59.018 -0.065 0.000 1.533 405 C CB 0.800 28.495 27.740 -0.076 0.000 1.970 405 C HN 0.934 nan 8.230 nan 0.000 0.467 406 V N 1.749 121.572 119.914 -0.152 0.000 2.483 406 V HA 0.580 4.702 4.120 0.002 0.000 0.295 406 V C -0.119 175.773 176.094 -0.336 0.000 1.035 406 V CA -0.249 61.922 62.300 -0.216 0.000 0.896 406 V CB 1.508 33.241 31.823 -0.150 0.000 0.986 406 V HN 0.809 nan 8.190 nan 0.000 0.447 407 I N 2.654 122.887 120.570 -0.561 0.000 2.569 407 I HA 0.530 4.701 4.170 0.002 0.000 0.296 407 I C -0.197 175.643 176.117 -0.461 0.000 1.028 407 I CA -0.115 60.820 61.300 -0.609 0.000 1.082 407 I CB 2.306 39.774 38.000 -0.887 0.000 1.264 407 I HN 0.542 nan 8.210 nan 0.000 0.429 408 S N 4.341 119.916 115.700 -0.210 0.000 2.502 408 S HA 0.571 5.042 4.470 0.002 0.000 0.304 408 S C -0.583 174.020 174.600 0.005 0.000 1.097 408 S CA -0.648 57.518 58.200 -0.057 0.000 1.045 408 S CB 2.038 65.221 63.200 -0.028 0.000 1.019 408 S HN 0.255 nan 8.310 nan 0.000 0.481 409 V N 3.642 123.583 119.914 0.045 0.000 2.398 409 V HA 0.587 4.709 4.120 0.002 0.000 0.286 409 V C -0.444 175.640 176.094 -0.017 0.000 1.026 409 V CA -0.488 61.814 62.300 0.003 0.000 0.868 409 V CB 1.488 33.274 31.823 -0.062 0.000 0.982 409 V HN 0.695 nan 8.190 nan 0.000 0.443 410 V N 3.269 123.174 119.914 -0.015 0.000 2.709 410 V HA 1.004 5.126 4.120 0.002 0.000 0.308 410 V C 0.214 176.297 176.094 -0.018 0.000 1.062 410 V CA -0.102 62.194 62.300 -0.006 0.000 0.901 410 V CB 1.929 33.765 31.823 0.021 0.000 1.003 410 V HN 1.121 nan 8.190 nan 0.000 0.425 411 G N 2.095 110.882 108.800 -0.021 0.000 2.433 411 G HA2 0.562 4.523 3.960 0.002 0.000 0.306 411 G HA3 0.562 4.523 3.960 0.002 0.000 0.306 411 G C 0.230 175.118 174.900 -0.021 0.000 1.627 411 G CA 0.198 45.284 45.100 -0.023 0.000 0.893 411 G HN 1.022 nan 8.290 nan 0.000 0.648 412 A N 0.719 123.530 122.820 -0.015 0.000 1.978 412 A HA 0.185 4.506 4.320 0.002 0.000 0.220 412 A C 2.606 180.181 177.584 -0.016 0.000 1.170 412 A CA 2.807 54.838 52.037 -0.011 0.000 0.636 412 A CB -0.617 18.378 19.000 -0.009 0.000 0.810 412 A HN 1.921 nan 8.150 nan 0.000 0.448 413 G N -1.222 107.565 108.800 -0.021 0.000 2.586 413 G HA2 -0.131 3.830 3.960 0.002 0.000 0.215 413 G HA3 -0.131 3.830 3.960 0.002 0.000 0.215 413 G C 1.373 176.255 174.900 -0.030 0.000 1.128 413 G CA 0.928 46.014 45.100 -0.023 0.000 0.774 413 G HN 0.502 nan 8.290 nan 0.000 0.543 414 M N 0.037 119.614 119.600 -0.038 0.000 2.492 414 M HA 0.086 4.568 4.480 0.002 0.000 0.262 414 M C 3.027 179.308 176.300 -0.032 0.000 1.090 414 M CA 0.893 56.163 55.300 -0.050 0.000 1.110 414 M CB -0.065 32.495 32.600 -0.066 0.000 1.407 414 M HN 0.373 nan 8.290 nan 0.000 0.470 415 R N 0.595 121.084 120.500 -0.019 0.000 2.132 415 R HA -0.116 4.226 4.340 0.002 0.000 0.233 415 R C 2.137 178.432 176.300 -0.009 0.000 1.125 415 R CA 2.243 58.337 56.100 -0.010 0.000 0.914 415 R CB -2.432 27.865 30.300 -0.005 0.000 0.845 415 R HN 0.580 nan 8.270 nan 0.000 0.431 416 G N -0.334 108.461 108.800 -0.008 0.000 2.572 416 G HA2 0.315 4.276 3.960 0.002 0.000 0.216 416 G HA3 0.315 4.276 3.960 0.002 0.000 0.216 416 G C 1.081 175.976 174.900 -0.009 0.000 1.133 416 G CA 0.566 45.662 45.100 -0.006 0.000 0.791 416 G HN 1.093 nan 8.290 nan 0.000 0.538 417 A N 1.115 123.925 122.820 -0.016 0.000 2.701 417 A HA 0.253 4.575 4.320 0.002 0.000 0.290 417 A C 0.619 178.192 177.584 -0.019 0.000 1.534 417 A CA 0.184 52.208 52.037 -0.021 0.000 1.137 417 A CB -0.522 18.456 19.000 -0.037 0.000 1.032 417 A HN 0.380 nan 8.150 nan 0.000 0.580 418 K N 0.855 121.251 120.400 -0.008 0.000 2.451 418 K HA 0.312 4.633 4.320 0.002 0.000 0.280 418 K C 1.362 177.961 176.600 -0.002 0.000 1.020 418 K CA 1.005 57.290 56.287 -0.002 0.000 1.008 418 K CB 0.329 32.830 32.500 0.002 0.000 0.917 418 K HN 1.159 nan 8.250 nan 0.000 0.478 419 G N 2.567 111.368 108.800 0.001 0.000 2.199 419 G HA2 -0.290 3.672 3.960 0.002 0.000 0.254 419 G HA3 -0.290 3.672 3.960 0.002 0.000 0.254 419 G C 0.751 175.644 174.900 -0.013 0.000 0.982 419 G CA 0.292 45.396 45.100 0.006 0.000 0.632 419 G HN 0.603 nan 8.290 nan 0.000 0.529 420 I N 1.745 122.286 120.570 -0.048 0.000 2.202 420 I HA 0.228 4.399 4.170 0.002 0.000 0.242 420 I C 2.968 178.965 176.117 -0.200 0.000 1.091 420 I CA 2.564 63.788 61.300 -0.127 0.000 1.368 420 I CB -0.629 37.274 38.000 -0.160 0.000 1.058 420 I HN 0.508 nan 8.210 nan 0.000 0.410 421 A N 0.272 123.012 122.820 -0.133 0.000 1.873 421 A HA -0.191 4.131 4.320 0.002 0.000 0.218 421 A C 2.481 180.032 177.584 -0.055 0.000 1.193 421 A CA 2.059 54.020 52.037 -0.127 0.000 0.629 421 A CB -1.843 17.219 19.000 0.104 0.000 0.826 421 A HN 0.504 nan 8.150 nan 0.000 0.447 422 G N -0.625 108.209 108.800 0.056 0.000 2.469 422 G HA2 -0.277 3.685 3.960 0.002 0.000 0.219 422 G HA3 -0.277 3.685 3.960 0.002 0.000 0.219 422 G C 1.700 176.634 174.900 0.056 0.000 1.150 422 G CA 1.263 46.421 45.100 0.097 0.000 0.763 422 G HN 0.601 nan 8.290 nan 0.000 0.561 423 K N -0.299 120.113 120.400 0.020 0.000 2.057 423 K HA 0.004 4.325 4.320 0.002 0.000 0.206 423 K C 2.671 179.369 176.600 0.163 0.000 1.050 423 K CA 1.062 57.423 56.287 0.122 0.000 0.935 423 K CB -0.276 32.356 32.500 0.219 0.000 0.715 423 K HN 0.276 nan 8.250 nan 0.000 0.439 424 I N 0.737 121.204 120.570 -0.172 0.000 2.127 424 I HA -0.225 3.946 4.170 0.002 0.000 0.241 424 I C 2.126 178.051 176.117 -0.320 0.000 1.075 424 I CA 1.595 62.664 61.300 -0.386 0.000 1.334 424 I CB -0.994 36.470 38.000 -0.893 0.000 1.040 424 I HN 0.177 nan 8.210 nan 0.000 0.405 425 F N 0.314 120.187 119.950 -0.128 0.000 2.259 425 F HA -0.129 4.399 4.527 0.002 0.000 0.298 425 F C 2.639 178.390 175.800 -0.083 0.000 1.088 425 F CA 1.408 59.295 58.000 -0.189 0.000 1.358 425 F CB -1.058 37.818 39.000 -0.207 0.000 1.040 425 F HN 0.052 nan 8.300 nan 0.000 0.505 426 T N 0.166 114.797 114.554 0.128 0.000 2.720 426 T HA -0.229 4.122 4.350 0.002 0.000 0.268 426 T C 2.299 177.041 174.700 0.070 0.000 1.037 426 T CA 1.329 63.481 62.100 0.085 0.000 1.144 426 T CB -0.557 68.353 68.868 0.071 0.000 0.864 426 T HN 0.326 nan 8.240 nan 0.000 0.444 427 A N 1.118 123.988 122.820 0.084 0.000 1.883 427 A HA -0.086 4.235 4.320 0.002 0.000 0.217 427 A C 2.592 180.225 177.584 0.082 0.000 1.186 427 A CA 1.677 53.759 52.037 0.075 0.000 0.624 427 A CB -1.137 17.938 19.000 0.125 0.000 0.822 427 A HN 0.357 nan 8.150 nan 0.000 0.444 428 V N 0.209 120.175 119.914 0.086 0.000 2.282 428 V HA -0.283 3.838 4.120 0.002 0.000 0.249 428 V C 2.878 179.027 176.094 0.091 0.000 1.057 428 V CA 2.518 64.881 62.300 0.104 0.000 1.032 428 V CB -1.173 30.683 31.823 0.055 0.000 0.645 428 V HN 0.745 nan 8.190 nan 0.000 0.447 429 S N -0.194 115.549 115.700 0.071 0.000 2.370 429 S HA -0.279 4.192 4.470 0.002 0.000 0.226 429 S C 1.933 176.560 174.600 0.045 0.000 1.033 429 S CA 2.117 60.349 58.200 0.053 0.000 1.011 429 S CB -0.371 62.855 63.200 0.043 0.000 0.852 429 S HN 0.741 nan 8.310 nan 0.000 0.457 430 E N 0.671 120.897 120.200 0.043 0.000 2.274 430 E HA -0.052 4.300 4.350 0.002 0.000 0.194 430 E C 2.177 178.796 176.600 0.032 0.000 0.996 430 E CA 1.042 57.460 56.400 0.030 0.000 0.840 430 E CB -0.128 29.584 29.700 0.019 0.000 0.772 430 E HN 0.772 nan 8.360 nan 0.000 0.491 431 S N -0.786 114.943 115.700 0.048 0.000 2.561 431 S HA 0.069 4.541 4.470 0.002 0.000 0.225 431 S C 1.602 176.231 174.600 0.049 0.000 0.977 431 S CA 0.588 58.819 58.200 0.051 0.000 0.926 431 S CB 0.308 63.552 63.200 0.073 0.000 0.769 431 S HN 0.351 nan 8.310 nan 0.000 0.533 432 G N 0.164 108.993 108.800 0.048 0.000 2.176 432 G HA2 -0.025 3.936 3.960 0.002 0.000 0.232 432 G HA3 -0.025 3.936 3.960 0.002 0.000 0.232 432 G C 0.152 175.083 174.900 0.052 0.000 0.986 432 G CA -0.105 45.020 45.100 0.042 0.000 0.643 432 G HN 1.265 nan 8.290 nan 0.000 0.522 433 A N -0.083 122.780 122.820 0.073 0.000 2.304 433 A HA 0.692 5.013 4.320 0.002 0.000 0.301 433 A C 0.256 177.890 177.584 0.083 0.000 1.132 433 A CA -0.194 51.897 52.037 0.091 0.000 0.819 433 A CB 0.633 19.718 19.000 0.142 0.000 1.094 433 A HN 0.423 nan 8.150 nan 0.000 0.492 434 N N 1.453 120.198 118.700 0.074 0.000 2.421 434 N HA 0.327 5.068 4.740 0.002 0.000 0.285 434 N C -0.999 174.558 175.510 0.079 0.000 1.027 434 N CA -0.291 52.792 53.050 0.055 0.000 0.918 434 N CB 1.080 39.585 38.487 0.031 0.000 1.152 434 N HN 0.347 nan 8.380 nan 0.000 0.485 435 I N 4.405 125.005 120.570 0.050 0.000 2.347 435 I HA 0.098 4.269 4.170 0.002 0.000 0.294 435 I C 1.504 177.638 176.117 0.028 0.000 1.090 435 I CA -0.324 61.012 61.300 0.061 0.000 1.314 435 I CB -0.216 37.730 38.000 -0.091 0.000 1.423 435 I HN 0.617 nan 8.210 nan 0.000 0.503 436 K N 3.823 124.268 120.400 0.075 0.000 2.137 436 K HA 0.243 4.565 4.320 0.002 0.000 0.202 436 K C 0.732 177.348 176.600 0.027 0.000 1.052 436 K CA 0.871 57.181 56.287 0.038 0.000 0.961 436 K CB 0.463 32.989 32.500 0.043 0.000 0.741 436 K HN 0.667 nan 8.250 nan 0.000 0.452 437 M N 0.943 120.579 119.600 0.060 0.000 2.365 437 M HA 0.366 4.847 4.480 0.002 0.000 0.287 437 M C -2.039 174.316 176.300 0.092 0.000 1.154 437 M CA -0.511 54.819 55.300 0.050 0.000 0.941 437 M CB 1.797 34.429 32.600 0.055 0.000 1.704 437 M HN -0.116 nan 8.290 nan 0.000 0.479 438 I N 3.575 124.169 120.570 0.039 0.000 2.509 438 I HA 0.781 4.952 4.170 0.002 0.000 0.293 438 I C -0.512 175.657 176.117 0.086 0.000 1.020 438 I CA -0.748 60.597 61.300 0.076 0.000 1.088 438 I CB 2.200 40.142 38.000 -0.096 0.000 1.267 438 I HN 0.798 nan 8.210 nan 0.000 0.430 439 A N 5.779 128.682 122.820 0.138 0.000 2.457 439 A HA 0.474 4.795 4.320 0.002 0.000 0.283 439 A C -0.909 176.748 177.584 0.121 0.000 1.166 439 A CA -0.453 51.646 52.037 0.104 0.000 0.740 439 A CB 1.156 20.208 19.000 0.087 0.000 1.181 439 A HN 0.704 nan 8.150 nan 0.000 0.446 440 Q N 2.573 122.435 119.800 0.102 0.000 2.357 440 Q HA 0.503 4.844 4.340 0.002 0.000 0.266 440 Q C 0.412 176.448 176.000 0.059 0.000 1.021 440 Q CA -0.384 55.474 55.803 0.092 0.000 0.784 440 Q CB 1.471 30.271 28.738 0.104 0.000 1.243 440 Q HN 0.921 nan 8.270 nan 0.000 0.465 441 G N 1.063 109.892 108.800 0.049 0.000 2.667 441 G HA2 0.006 3.967 3.960 0.002 0.000 0.250 441 G HA3 0.006 3.967 3.960 0.002 0.000 0.250 441 G C 0.840 175.758 174.900 0.029 0.000 1.212 441 G CA 0.143 45.263 45.100 0.034 0.000 0.874 441 G HN 0.734 nan 8.290 nan 0.000 0.561 442 S N -1.525 114.188 115.700 0.022 0.000 2.607 442 S HA -0.069 4.402 4.470 0.002 0.000 0.224 442 S C 2.093 176.703 174.600 0.016 0.000 0.969 442 S CA 0.970 59.181 58.200 0.018 0.000 0.927 442 S CB -0.152 63.056 63.200 0.014 0.000 0.772 442 S HN 0.890 nan 8.310 nan 0.000 0.533 443 S N 1.186 116.896 115.700 0.017 0.000 2.489 443 S HA 0.073 4.544 4.470 0.002 0.000 0.228 443 S C 0.775 175.383 174.600 0.013 0.000 0.995 443 S CA 0.638 58.848 58.200 0.016 0.000 0.934 443 S CB -0.714 62.497 63.200 0.019 0.000 0.771 443 S HN 0.630 nan 8.310 nan 0.000 0.522 444 E N -0.965 119.244 120.200 0.015 0.000 3.547 444 E HA -0.175 4.176 4.350 0.002 0.000 0.300 444 E C 0.713 177.314 176.600 0.001 0.000 0.857 444 E CA 0.741 57.147 56.400 0.009 0.000 1.039 444 E CB -1.978 27.724 29.700 0.004 0.000 1.524 444 E HN 0.543 nan 8.360 nan 0.000 0.457 445 V N 0.108 120.027 119.914 0.007 0.000 2.788 445 V HA -0.021 4.100 4.120 0.002 0.000 0.251 445 V C 0.907 177.003 176.094 0.005 0.000 1.068 445 V CA 1.266 63.568 62.300 0.003 0.000 1.090 445 V CB -0.125 31.706 31.823 0.013 0.000 0.710 445 V HN 0.279 nan 8.190 nan 0.000 0.467 446 N N 0.411 119.122 118.700 0.018 0.000 2.461 446 N HA 0.366 5.107 4.740 0.002 0.000 0.284 446 N C -1.388 174.151 175.510 0.049 0.000 1.049 446 N CA -0.379 52.689 53.050 0.030 0.000 0.889 446 N CB 1.753 40.265 38.487 0.042 0.000 1.365 446 N HN 0.195 nan 8.380 nan 0.000 0.499 447 I N 2.271 122.874 120.570 0.055 0.000 2.306 447 I HA 0.187 4.358 4.170 0.002 0.000 0.288 447 I C 0.046 176.289 176.117 0.210 0.000 1.036 447 I CA -0.303 61.071 61.300 0.125 0.000 1.221 447 I CB 1.090 39.123 38.000 0.056 0.000 1.385 447 I HN 0.295 nan 8.210 nan 0.000 0.472 448 S N 6.796 122.624 115.700 0.214 0.000 2.489 448 S HA 0.749 5.220 4.470 0.002 0.000 0.291 448 S C -0.550 174.245 174.600 0.325 0.000 1.151 448 S CA -0.520 57.788 58.200 0.179 0.000 1.082 448 S CB 1.148 64.398 63.200 0.085 0.000 1.019 448 S HN 0.469 nan 8.310 nan 0.000 0.492 449 F N -0.264 119.751 119.950 0.109 0.000 2.662 449 F HA 0.861 5.390 4.527 0.003 0.000 0.312 449 F C -1.509 174.335 175.800 0.074 0.000 1.113 449 F CA -1.284 56.789 58.000 0.121 0.000 0.951 449 F CB 0.767 39.919 39.000 0.253 0.000 1.344 449 F HN 0.245 nan 8.300 nan 0.000 0.462 450 V N 3.097 123.132 119.914 0.203 0.000 2.540 450 V HA 0.683 4.804 4.120 0.002 0.000 0.302 450 V C -0.157 176.024 176.094 0.144 0.000 1.035 450 V CA -0.608 61.732 62.300 0.067 0.000 0.873 450 V CB 1.495 33.348 31.823 0.051 0.000 0.992 450 V HN 0.859 nan 8.190 nan 0.000 0.428 451 I N -0.201 120.414 120.570 0.075 0.000 3.042 451 I HA 0.705 4.876 4.170 0.002 0.000 0.310 451 I C -0.741 175.403 176.117 0.045 0.000 1.117 451 I CA -1.077 60.285 61.300 0.103 0.000 1.003 451 I CB 2.071 40.170 38.000 0.165 0.000 1.228 451 I HN 0.303 nan 8.210 nan 0.000 0.443 452 D N 2.630 123.058 120.400 0.046 0.000 2.488 452 D HA -0.030 4.612 4.640 0.002 0.000 0.238 452 D C 0.818 177.130 176.300 0.019 0.000 1.138 452 D CA 0.471 54.487 54.000 0.027 0.000 0.873 452 D CB 1.222 42.039 40.800 0.028 0.000 1.183 452 D HN 0.762 nan 8.370 nan 0.000 0.458 453 E N 2.041 122.246 120.200 0.008 0.000 2.160 453 E HA -0.244 4.108 4.350 0.002 0.000 0.195 453 E C 1.609 178.212 176.600 0.005 0.000 0.991 453 E CA 1.105 57.504 56.400 -0.001 0.000 0.810 453 E CB 0.169 29.867 29.700 -0.003 0.000 0.742 453 E HN 0.470 nan 8.360 nan 0.000 0.466 454 K N 0.014 120.421 120.400 0.010 0.000 2.281 454 K HA -0.155 4.166 4.320 0.002 0.000 0.203 454 K C 1.006 177.617 176.600 0.017 0.000 1.046 454 K CA 1.782 58.077 56.287 0.012 0.000 0.938 454 K CB 0.120 32.627 32.500 0.013 0.000 0.737 454 K HN 0.041 nan 8.250 nan 0.000 0.458 455 D N 0.546 120.961 120.400 0.026 0.000 2.349 455 D HA -0.007 4.634 4.640 0.002 0.000 0.214 455 D C 1.614 177.938 176.300 0.041 0.000 1.063 455 D CA 0.040 54.063 54.000 0.039 0.000 0.847 455 D CB 0.280 41.114 40.800 0.056 0.000 0.933 455 D HN 0.130 nan 8.370 nan 0.000 0.513 456 L N 0.992 122.228 121.223 0.021 0.000 1.990 456 L HA -0.186 4.155 4.340 0.002 0.000 0.213 456 L C 2.058 178.936 176.870 0.014 0.000 1.072 456 L CA 1.583 56.427 54.840 0.006 0.000 0.755 456 L CB -0.729 41.319 42.059 -0.018 0.000 0.889 456 L HN -0.001 nan 8.230 nan 0.000 0.432 457 L N -0.059 121.170 121.223 0.010 0.000 2.017 457 L HA -0.201 4.141 4.340 0.002 0.000 0.208 457 L C 2.290 179.173 176.870 0.023 0.000 1.073 457 L CA 1.796 56.641 54.840 0.009 0.000 0.745 457 L CB -0.891 41.169 42.059 0.002 0.000 0.894 457 L HN 0.388 nan 8.230 nan 0.000 0.432 458 N N -1.156 117.562 118.700 0.031 0.000 2.223 458 N HA -0.218 4.523 4.740 0.002 0.000 0.185 458 N C 1.958 177.505 175.510 0.062 0.000 1.016 458 N CA 1.502 54.576 53.050 0.040 0.000 0.863 458 N CB -0.844 37.666 38.487 0.038 0.000 0.983 458 N HN 0.527 nan 8.380 nan 0.000 0.429 459 C N 0.293 119.641 119.300 0.080 0.000 2.476 459 C HA 0.041 4.503 4.460 0.002 0.000 0.278 459 C C 2.718 177.789 174.990 0.134 0.000 1.274 459 C CA 0.332 59.425 59.018 0.126 0.000 1.713 459 C CB -0.884 26.956 27.740 0.166 0.000 2.039 459 C HN 0.189 nan 8.230 nan 0.000 0.484 460 V N 1.318 121.291 119.914 0.098 0.000 2.295 460 V HA -0.189 3.933 4.120 0.002 0.000 0.246 460 V C 2.676 178.842 176.094 0.119 0.000 1.049 460 V CA 2.269 64.630 62.300 0.102 0.000 1.024 460 V CB -0.877 30.973 31.823 0.045 0.000 0.648 460 V HN 0.497 nan 8.190 nan 0.000 0.447 461 R N 0.189 120.734 120.500 0.074 0.000 2.091 461 R HA -0.221 4.121 4.340 0.002 0.000 0.238 461 R C 2.411 178.768 176.300 0.095 0.000 1.136 461 R CA 1.846 57.987 56.100 0.068 0.000 0.959 461 R CB -0.374 29.944 30.300 0.030 0.000 0.856 461 R HN 0.368 nan 8.270 nan 0.000 0.437 462 K N 0.750 121.198 120.400 0.081 0.000 2.002 462 K HA -0.137 4.184 4.320 0.002 0.000 0.209 462 K C 1.809 178.447 176.600 0.063 0.000 1.048 462 K CA 1.272 57.593 56.287 0.057 0.000 0.930 462 K CB -0.387 32.148 32.500 0.058 0.000 0.714 462 K HN -0.040 nan 8.250 nan 0.000 0.438 463 L N 1.035 122.351 121.223 0.155 0.000 2.042 463 L HA -0.189 4.152 4.340 0.002 0.000 0.210 463 L C 2.525 179.542 176.870 0.245 0.000 1.076 463 L CA 1.924 56.927 54.840 0.271 0.000 0.749 463 L CB -1.197 41.056 42.059 0.324 0.000 0.893 463 L HN 0.493 nan 8.230 nan 0.000 0.432 464 H N -0.399 118.737 119.070 0.110 0.000 2.326 464 H HA -0.178 4.379 4.556 0.002 0.000 0.301 464 H C 2.162 177.508 175.328 0.030 0.000 1.081 464 H CA 1.877 57.977 56.048 0.086 0.000 1.334 464 H CB 0.358 30.159 29.762 0.065 0.000 1.385 464 H HN 0.462 nan 8.280 nan 0.000 0.504 465 E N 0.406 120.667 120.200 0.103 0.000 2.058 465 E HA -0.195 4.157 4.350 0.002 0.000 0.194 465 E C 2.019 178.531 176.600 -0.146 0.000 0.997 465 E CA 1.325 57.724 56.400 -0.002 0.000 0.801 465 E CB 0.160 29.862 29.700 0.003 0.000 0.746 465 E HN 0.158 nan 8.360 nan 0.000 0.450 466 K N -0.935 119.293 120.400 -0.286 0.000 2.228 466 K HA -0.035 4.286 4.320 0.002 0.000 0.202 466 K C 1.020 177.175 176.600 -0.741 0.000 1.051 466 K CA 0.962 56.873 56.287 -0.627 0.000 0.960 466 K CB 0.126 32.028 32.500 -0.998 0.000 0.743 466 K HN 0.161 nan 8.250 nan 0.000 0.458 467 F N -1.728 118.179 119.950 -0.072 0.000 2.784 467 F HA 0.252 4.780 4.527 0.002 0.000 0.323 467 F C 1.207 176.929 175.800 -0.131 0.000 1.085 467 F CA -0.227 57.721 58.000 -0.087 0.000 1.196 467 F CB 0.511 39.468 39.000 -0.071 0.000 1.053 467 F HN -0.149 nan 8.300 nan 0.000 0.578 468 I N -0.465 120.048 120.570 -0.095 0.000 3.570 468 I HA 0.082 4.253 4.170 0.002 0.000 0.270 468 I C 1.788 177.788 176.117 -0.194 0.000 1.162 468 I CA 0.637 61.801 61.300 -0.228 0.000 1.413 468 I CB -0.896 36.739 38.000 -0.608 0.000 1.437 468 I HN 0.020 nan 8.210 nan 0.000 0.457 469 E N 1.323 121.398 120.200 -0.208 0.000 2.152 469 E HA -0.083 4.269 4.350 0.002 0.000 0.192 469 E C 0.140 176.706 176.600 -0.056 0.000 0.983 469 E CA 0.240 56.595 56.400 -0.076 0.000 0.818 469 E CB 0.137 29.835 29.700 -0.004 0.000 0.758 469 E HN 0.286 nan 8.360 nan 0.000 0.467 470 K N 0.000 120.354 120.400 -0.077 0.000 2.780 470 K HA 0.000 4.321 4.320 0.002 0.000 0.191 470 K CA 0.000 56.248 56.287 -0.066 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