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 1e6e_1_A DATA FIRST_RESID 4 DATA SEQUENCE EQTPQICVVG SGPAGFYTAQ HLLKHHSRAH VDIYEKQLVP FGLVRFGVAP DATA SEQUENCE DHPEVKNVIN TFTQTARSDR CAFYGNVEVG RDVTVQELQD AYHAVVLSYG DATA SEQUENCE AEDHQALDIP GEELPGVFSA RAFVGWYNGL PENRELAPDL SCDTAVILGQ DATA SEQUENCE GNVALDVARI LLTPPDHLEK TDITEAALGA LRQSRVKTVW IVGRRGPLQV DATA SEQUENCE AFTIKELREM IQLPGTRPML DPADFLGLQD RIKEAARPRK RLMELLLRTA DATA SEQUENCE TEKPGVEEAA RRASASRAWG LRFFRSPQQV LPSPDGRRAA GIRLAVTRLE DATA SEQUENCE GIGEATRAVP TGDVEDLPCG LVLSSIGYKS RPIDPSVPFD PKLGVVPNME DATA SEQUENCE GRVVDVPGLY CSGWVKRGPT GVITTTMTDS FLTGQILLQD LKAGHLPSGP DATA SEQUENCE RPGSAFIKAL LDSRGVWPVS FSDWEKLDAE EVSRGQASGK PREKLLDPQE DATA SEQUENCE MLRLLGH 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.632 176.600 0.053 0.000 1.382 4 E CA 0.000 56.421 56.400 0.034 0.000 0.976 4 E CB 0.000 nan 29.700 nan 0.000 0.812 5 Q N -0.082 119.752 119.800 0.056 0.000 2.340 5 Q HA 0.562 4.902 4.340 0.000 0.000 0.249 5 Q C -0.593 175.456 176.000 0.081 0.000 0.957 5 Q CA -0.010 55.823 55.803 0.050 0.000 0.882 5 Q CB 0.919 29.654 28.738 -0.005 0.000 1.235 5 Q HN 0.578 nan 8.270 nan 0.000 0.439 6 T N 6.224 120.829 114.554 0.086 0.000 3.149 6 T HA 0.325 4.675 4.350 0.000 0.000 0.373 6 T C -2.506 172.257 174.700 0.106 0.000 1.364 6 T CA -1.310 60.866 62.100 0.127 0.000 1.110 6 T CB 0.848 69.832 68.868 0.193 0.000 1.127 6 T HN 0.496 nan 8.240 nan 0.000 0.576 7 P HA 0.042 nan 4.420 nan 0.000 0.261 7 P C -0.318 177.102 177.300 0.200 0.000 1.183 7 P CA -0.024 63.001 63.100 -0.126 0.000 0.761 7 P CB 0.434 31.905 31.700 -0.381 0.000 0.785 8 Q N 3.376 123.488 119.800 0.520 0.000 2.394 8 Q HA 0.435 4.775 4.340 0.000 0.000 0.259 8 Q C -0.198 176.118 176.000 0.527 0.000 1.021 8 Q CA -0.167 55.918 55.803 0.470 0.000 0.805 8 Q CB 1.230 30.144 28.738 0.292 0.000 1.226 8 Q HN 0.484 nan 8.270 nan 0.000 0.476 9 I N 1.130 121.939 120.570 0.398 0.000 2.474 9 I HA 0.393 4.563 4.170 0.000 0.000 0.294 9 I C -0.132 175.980 176.117 -0.009 0.000 1.005 9 I CA -1.018 60.407 61.300 0.209 0.000 1.113 9 I CB 1.937 39.993 38.000 0.094 0.000 1.289 9 I HN 0.472 nan 8.210 nan 0.000 0.436 10 C N 7.093 126.204 119.300 -0.315 0.000 2.351 10 C HA 0.772 5.232 4.460 0.000 0.000 0.326 10 C C -0.352 174.535 174.990 -0.171 0.000 1.272 10 C CA -0.219 58.465 59.018 -0.556 0.000 1.650 10 C CB 0.721 27.745 27.740 -1.195 0.000 2.257 10 C HN 0.580 nan 8.230 nan 0.000 0.505 11 V N 6.721 126.602 119.914 -0.055 0.000 2.444 11 V HA 0.388 4.508 4.120 0.000 0.000 0.294 11 V C -0.205 175.924 176.094 0.058 0.000 1.022 11 V CA -0.431 61.865 62.300 -0.007 0.000 0.850 11 V CB 1.745 33.540 31.823 -0.046 0.000 0.992 11 V HN 0.742 nan 8.190 nan 0.000 0.426 12 V N 4.454 124.405 119.914 0.063 0.000 2.304 12 V HA 0.833 4.953 4.120 0.000 0.000 0.262 12 V C 0.654 176.822 176.094 0.123 0.000 1.061 12 V CA 0.391 62.751 62.300 0.100 0.000 0.872 12 V CB 0.301 32.185 31.823 0.102 0.000 1.077 12 V HN 1.240 nan 8.190 nan 0.000 0.480 13 G N 3.409 112.259 108.800 0.083 0.000 2.801 13 G HA2 0.065 4.025 3.960 0.000 0.000 0.648 13 G HA3 0.065 4.025 3.960 0.000 0.000 0.648 13 G C -0.127 174.759 174.900 -0.025 0.000 1.415 13 G CA -0.257 44.882 45.100 0.066 0.000 0.887 13 G HN 1.014 nan 8.290 nan 0.000 0.627 14 S N 0.918 116.615 115.700 -0.005 0.000 2.561 14 S HA 0.615 5.085 4.470 0.000 0.000 0.245 14 S C 1.196 175.809 174.600 0.022 0.000 1.001 14 S CA 0.672 58.818 58.200 -0.091 0.000 1.002 14 S CB 0.602 63.862 63.200 0.100 0.000 0.805 14 S HN 1.759 nan 8.310 nan 0.000 0.458 15 G N 2.068 110.861 108.800 -0.012 0.000 2.510 15 G HA2 0.481 4.441 3.960 0.000 0.000 0.280 15 G HA3 0.481 4.441 3.960 0.000 0.000 0.280 15 G C -1.814 173.001 174.900 -0.142 0.000 1.386 15 G CA -1.758 43.334 45.100 -0.013 0.000 1.047 15 G HN 0.160 nan 8.290 nan 0.000 0.527 16 P HA -0.119 nan 4.420 nan 0.000 0.216 16 P C 2.077 179.366 177.300 -0.018 0.000 1.153 16 P CA 2.348 65.358 63.100 -0.151 0.000 0.858 16 P CB 0.097 31.886 31.700 0.148 0.000 0.789 17 A N -0.477 122.343 122.820 -0.000 0.000 1.930 17 A HA -0.059 4.261 4.320 0.000 0.000 0.217 17 A C 2.458 180.056 177.584 0.023 0.000 1.175 17 A CA 2.021 54.084 52.037 0.044 0.000 0.627 17 A CB -1.783 17.221 19.000 0.006 0.000 0.815 17 A HN 0.286 nan 8.150 nan 0.000 0.443 18 G N -1.651 107.110 108.800 -0.065 0.000 2.394 18 G HA2 -0.089 3.871 3.960 0.000 0.000 0.215 18 G HA3 -0.089 3.871 3.960 0.000 0.000 0.215 18 G C 1.309 176.099 174.900 -0.184 0.000 1.165 18 G CA 0.903 45.930 45.100 -0.122 0.000 0.784 18 G HN 0.388 nan 8.290 nan 0.000 0.535 19 F N -0.503 119.270 119.950 -0.294 0.000 2.325 19 F HA 0.173 4.700 4.527 0.000 0.000 0.299 19 F C 2.227 177.940 175.800 -0.145 0.000 1.090 19 F CA 0.375 58.148 58.000 -0.379 0.000 1.392 19 F CB -0.059 38.324 39.000 -1.028 0.000 1.053 19 F HN 0.080 nan 8.300 nan 0.000 0.521 20 Y N -0.454 119.958 120.300 0.186 0.000 2.365 20 Y HA -0.093 4.457 4.550 0.000 0.000 0.293 20 Y C 2.550 178.696 175.900 0.411 0.000 1.119 20 Y CA 1.163 59.474 58.100 0.352 0.000 1.203 20 Y CB -1.215 37.320 38.460 0.126 0.000 1.026 20 Y HN -0.098 nan 8.280 nan 0.000 0.549 21 T N -0.298 114.476 114.554 0.367 0.000 2.777 21 T HA -0.144 4.206 4.350 0.000 0.000 0.266 21 T C 2.238 177.093 174.700 0.259 0.000 1.040 21 T CA 1.293 63.564 62.100 0.285 0.000 1.141 21 T CB -0.504 68.446 68.868 0.137 0.000 0.868 21 T HN 0.366 nan 8.240 nan 0.000 0.444 22 A N 1.132 124.058 122.820 0.177 0.000 1.930 22 A HA -0.134 4.186 4.320 0.000 0.000 0.217 22 A C 2.269 179.964 177.584 0.185 0.000 1.175 22 A CA 1.657 53.771 52.037 0.129 0.000 0.627 22 A CB -0.696 18.325 19.000 0.035 0.000 0.815 22 A HN 0.529 nan 8.150 nan 0.000 0.443 23 Q N -1.243 118.726 119.800 0.282 0.000 2.061 23 Q HA -0.291 4.049 4.340 0.000 0.000 0.204 23 Q C 1.989 178.091 176.000 0.170 0.000 0.984 23 Q CA 2.149 58.114 55.803 0.269 0.000 0.846 23 Q CB -0.258 28.750 28.738 0.450 0.000 0.902 23 Q HN 0.886 nan 8.270 nan 0.000 0.421 24 H N -0.150 119.014 119.070 0.157 0.000 2.353 24 H HA -0.070 4.486 4.556 0.000 0.000 0.300 24 H C 1.929 177.313 175.328 0.093 0.000 1.090 24 H CA 1.793 57.870 56.048 0.049 0.000 1.327 24 H CB -0.067 29.782 29.762 0.143 0.000 1.383 24 H HN 0.210 nan 8.280 nan 0.000 0.508 25 L N -0.229 121.119 121.223 0.208 0.000 2.046 25 L HA -0.174 4.166 4.340 0.000 0.000 0.208 25 L C 2.397 179.294 176.870 0.045 0.000 1.077 25 L CA 0.996 55.912 54.840 0.126 0.000 0.747 25 L CB -0.391 41.730 42.059 0.102 0.000 0.896 25 L HN 0.337 nan 8.230 nan 0.000 0.432 26 L N -0.185 121.050 121.223 0.019 0.000 2.093 26 L HA -0.201 4.139 4.340 0.000 0.000 0.208 26 L C 2.691 179.509 176.870 -0.087 0.000 1.085 26 L CA 1.262 56.092 54.840 -0.017 0.000 0.755 26 L CB -0.514 41.544 42.059 -0.001 0.000 0.904 26 L HN 0.288 nan 8.230 nan 0.000 0.435 27 K N -0.583 119.701 120.400 -0.193 0.000 2.103 27 K HA -0.144 4.176 4.320 0.000 0.000 0.204 27 K C 1.572 177.872 176.600 -0.500 0.000 1.052 27 K CA 1.075 57.131 56.287 -0.385 0.000 0.945 27 K CB 0.104 32.257 32.500 -0.579 0.000 0.722 27 K HN 0.383 nan 8.250 nan 0.000 0.443 28 H N -1.312 117.636 119.070 -0.203 0.000 2.517 28 H HA 0.109 4.665 4.556 0.000 0.000 0.282 28 H C -0.641 174.661 175.328 -0.042 0.000 1.023 28 H CA 0.262 56.205 56.048 -0.175 0.000 1.169 28 H CB 0.058 29.633 29.762 -0.311 0.000 1.454 28 H HN 0.270 nan 8.280 nan 0.000 0.556 29 H N 0.061 119.106 119.070 -0.041 0.000 3.240 29 H HA 0.090 4.646 4.556 0.000 0.000 0.329 29 H C 0.809 176.099 175.328 -0.064 0.000 1.024 29 H CA -0.113 55.915 56.048 -0.034 0.000 1.487 29 H CB 1.094 30.846 29.762 -0.017 0.000 1.909 29 H HN 0.064 nan 8.280 nan 0.000 0.465 30 S N 3.432 119.109 115.700 -0.039 0.000 2.469 30 S HA -0.109 4.361 4.470 0.000 0.000 0.238 30 S C 1.321 175.949 174.600 0.046 0.000 0.998 30 S CA 0.818 59.010 58.200 -0.013 0.000 0.957 30 S CB 0.075 63.234 63.200 -0.069 0.000 0.764 30 S HN 0.752 nan 8.310 nan 0.000 0.514 31 R N 0.639 121.281 120.500 0.236 0.000 2.404 31 R HA 0.456 4.796 4.340 0.000 0.000 0.237 31 R C 0.488 176.761 176.300 -0.046 0.000 0.907 31 R CA 0.341 56.503 56.100 0.104 0.000 1.063 31 R CB 0.301 30.699 30.300 0.164 0.000 1.134 31 R HN 0.386 nan 8.270 nan 0.000 0.529 32 A N 1.919 124.721 122.820 -0.030 0.000 2.477 32 A HA 0.112 4.432 4.320 0.000 0.000 0.246 32 A C -0.556 176.912 177.584 -0.192 0.000 1.078 32 A CA 0.241 52.148 52.037 -0.215 0.000 0.770 32 A CB 0.103 18.922 19.000 -0.301 0.000 1.011 32 A HN 0.189 nan 8.150 nan 0.000 0.494 33 H N 1.018 120.120 119.070 0.054 0.000 2.469 33 H HA 0.511 5.067 4.556 0.000 0.000 0.342 33 H C -1.028 174.372 175.328 0.120 0.000 1.115 33 H CA -0.389 55.718 56.048 0.098 0.000 1.204 33 H CB 1.795 31.634 29.762 0.129 0.000 1.492 33 H HN 0.364 nan 8.280 nan 0.000 0.499 34 V N 3.913 123.957 119.914 0.217 0.000 2.444 34 V HA 0.117 4.237 4.120 0.000 0.000 0.294 34 V C -0.339 175.839 176.094 0.139 0.000 1.022 34 V CA -0.873 61.515 62.300 0.146 0.000 0.850 34 V CB 1.862 33.728 31.823 0.071 0.000 0.992 34 V HN 0.683 nan 8.190 nan 0.000 0.426 35 D N 4.868 125.354 120.400 0.143 0.000 2.349 35 D HA 0.508 5.148 4.640 0.000 0.000 0.232 35 D C -0.291 175.990 176.300 -0.031 0.000 1.071 35 D CA -0.057 54.020 54.000 0.128 0.000 0.832 35 D CB 2.216 43.198 40.800 0.302 0.000 1.086 35 D HN 0.371 nan 8.370 nan 0.000 0.504 36 I N 3.040 123.545 120.570 -0.108 0.000 2.304 36 I HA 0.173 4.343 4.170 0.000 0.000 0.291 36 I C -0.362 175.598 176.117 -0.263 0.000 1.018 36 I CA -0.688 60.523 61.300 -0.147 0.000 1.260 36 I CB 0.412 38.284 38.000 -0.213 0.000 1.390 36 I HN 0.144 nan 8.210 nan 0.000 0.475 37 Y N 4.540 124.791 120.300 -0.083 0.000 2.334 37 Y HA 0.490 5.040 4.550 0.000 0.000 0.328 37 Y C 0.226 176.043 175.900 -0.138 0.000 1.130 37 Y CA -0.477 57.549 58.100 -0.123 0.000 1.163 37 Y CB 1.382 39.779 38.460 -0.104 0.000 1.207 37 Y HN 0.471 nan 8.280 nan 0.000 0.471 38 E N 1.661 121.819 120.200 -0.070 0.000 2.304 38 E HA 0.241 4.591 4.350 0.000 0.000 0.277 38 E C -0.333 176.253 176.600 -0.022 0.000 0.898 38 E CA -0.867 55.522 56.400 -0.018 0.000 0.764 38 E CB 1.119 30.856 29.700 0.062 0.000 1.216 38 E HN 0.583 nan 8.360 nan 0.000 0.419 39 K N 2.736 123.137 120.400 0.001 0.000 2.217 39 K HA 0.072 4.392 4.320 0.000 0.000 0.202 39 K C 0.551 177.144 176.600 -0.011 0.000 1.051 39 K CA 0.391 56.668 56.287 -0.016 0.000 0.952 39 K CB 0.120 32.599 32.500 -0.036 0.000 0.736 39 K HN 0.366 nan 8.250 nan 0.000 0.453 40 Q N 0.969 120.776 119.800 0.012 0.000 2.443 40 Q HA 0.117 4.457 4.340 0.000 0.000 0.232 40 Q C 1.370 177.396 176.000 0.043 0.000 1.026 40 Q CA 0.057 55.874 55.803 0.023 0.000 0.924 40 Q CB 1.017 29.799 28.738 0.074 0.000 1.256 40 Q HN 0.256 nan 8.270 nan 0.000 0.519 41 L N 0.291 121.537 121.223 0.038 0.000 2.313 41 L HA -0.004 4.336 4.340 0.000 0.000 0.214 41 L C 0.973 177.889 176.870 0.076 0.000 1.119 41 L CA 0.328 55.187 54.840 0.030 0.000 0.809 41 L CB -0.026 42.030 42.059 -0.005 0.000 0.933 41 L HN 0.334 nan 8.230 nan 0.000 0.449 42 V N -4.329 115.597 119.914 0.019 0.000 2.960 42 V HA 0.660 4.781 4.120 0.000 0.000 0.315 42 V C -2.605 173.252 176.094 -0.395 0.000 1.087 42 V CA -2.013 60.108 62.300 -0.298 0.000 0.982 42 V CB 1.869 33.416 31.823 -0.460 0.000 1.039 42 V HN -0.203 nan 8.190 nan 0.000 0.437 43 P HA 0.577 nan 4.420 nan 0.000 0.310 43 P C -0.381 176.379 177.300 -0.900 0.000 1.309 43 P CA -0.012 62.502 63.100 -0.976 0.000 0.769 43 P CB 0.887 31.664 31.700 -1.539 0.000 1.327 44 F N -3.820 116.091 119.950 -0.065 0.000 2.397 44 F HA -0.216 4.311 4.527 0.000 0.000 0.438 44 F C 1.473 177.245 175.800 -0.047 0.000 0.555 44 F CA 1.212 59.172 58.000 -0.067 0.000 1.561 44 F CB -2.931 35.981 39.000 -0.147 0.000 2.188 44 F HN 0.695 nan 8.300 nan 0.000 0.267 45 G N 0.785 109.661 108.800 0.127 0.000 2.685 45 G HA2 -0.393 3.567 3.960 0.000 0.000 0.329 45 G HA3 -0.393 3.567 3.960 0.000 0.000 0.329 45 G C 1.032 176.045 174.900 0.189 0.000 1.271 45 G CA 0.679 45.886 45.100 0.178 0.000 1.003 45 G HN 0.583 nan 8.290 nan 0.000 0.549 46 L N 1.022 122.299 121.223 0.089 0.000 2.551 46 L HA 0.021 4.361 4.340 0.000 0.000 0.228 46 L C 2.901 179.798 176.870 0.046 0.000 1.153 46 L CA 0.529 55.408 54.840 0.065 0.000 0.851 46 L CB -0.271 41.744 42.059 -0.074 0.000 0.959 46 L HN 0.341 nan 8.230 nan 0.000 0.451 47 V N -0.306 119.636 119.914 0.047 0.000 2.667 47 V HA -0.203 3.917 4.120 0.000 0.000 0.252 47 V C 2.513 178.593 176.094 -0.023 0.000 1.065 47 V CA 1.587 63.910 62.300 0.038 0.000 1.083 47 V CB -0.518 31.353 31.823 0.081 0.000 0.692 47 V HN 0.495 nan 8.190 nan 0.000 0.468 48 R N -0.779 119.658 120.500 -0.105 0.000 2.103 48 R HA 0.041 4.381 4.340 0.000 0.000 0.212 48 R C 2.039 178.149 176.300 -0.318 0.000 1.107 48 R CA 1.029 56.949 56.100 -0.300 0.000 1.025 48 R CB -0.065 29.869 30.300 -0.611 0.000 0.929 48 R HN 0.408 nan 8.270 nan 0.000 0.456 49 F N -0.376 119.591 119.950 0.028 0.000 2.698 49 F HA 0.345 4.872 4.527 0.000 0.000 0.295 49 F C 1.927 177.730 175.800 0.006 0.000 1.124 49 F CA 0.725 58.727 58.000 0.004 0.000 1.426 49 F CB 0.173 39.166 39.000 -0.012 0.000 1.120 49 F HN 0.194 nan 8.300 nan 0.000 0.583 50 G N -0.292 108.610 108.800 0.171 0.000 2.789 50 G HA2 0.091 4.051 3.960 0.000 0.000 0.207 50 G HA3 0.091 4.051 3.960 0.000 0.000 0.207 50 G C 0.231 175.229 174.900 0.164 0.000 1.153 50 G CA -0.025 45.163 45.100 0.147 0.000 0.847 50 G HN -0.064 nan 8.290 nan 0.000 0.615 51 V N 2.848 122.845 119.914 0.139 0.000 2.625 51 V HA 0.326 4.446 4.120 0.000 0.000 0.305 51 V C 1.202 177.396 176.094 0.167 0.000 1.055 51 V CA -0.303 62.095 62.300 0.163 0.000 1.209 51 V CB -0.018 31.875 31.823 0.117 0.000 0.877 51 V HN 0.554 nan 8.190 nan 0.000 0.489 52 A N 9.144 132.065 122.820 0.168 0.000 2.520 52 A HA 0.262 4.582 4.320 0.000 0.000 0.235 52 A C -0.403 177.179 177.584 -0.003 0.000 1.065 52 A CA -0.549 51.524 52.037 0.060 0.000 0.764 52 A CB -0.154 18.722 19.000 -0.207 0.000 1.002 52 A HN 0.775 nan 8.150 nan 0.000 0.502 53 P HA -0.103 nan 4.420 nan 0.000 0.230 53 P C 0.176 177.427 177.300 -0.082 0.000 1.158 53 P CA 1.250 64.310 63.100 -0.068 0.000 0.769 53 P CB 0.040 31.674 31.700 -0.111 0.000 0.807 54 D N -1.850 118.465 120.400 -0.142 0.000 2.358 54 D HA -0.049 4.591 4.640 0.000 0.000 0.224 54 D C 0.253 176.566 176.300 0.021 0.000 1.123 54 D CA -0.214 53.723 54.000 -0.104 0.000 0.833 54 D CB -1.244 39.456 40.800 -0.166 0.000 0.946 54 D HN 0.335 nan 8.370 nan 0.000 0.505 55 H N 0.479 119.531 119.070 -0.030 0.000 2.587 55 H HA 0.167 4.723 4.556 0.000 0.000 0.245 55 H C -1.560 173.752 175.328 -0.027 0.000 1.238 55 H CA -1.446 54.590 56.048 -0.020 0.000 0.963 55 H CB 1.274 31.037 29.762 0.002 0.000 1.904 55 H HN 0.040 nan 8.280 nan 0.000 0.584 56 P HA -0.204 nan 4.420 nan 0.000 0.216 56 P C 0.908 178.197 177.300 -0.018 0.000 1.150 56 P CA 1.223 64.328 63.100 0.008 0.000 0.837 56 P CB 0.557 32.250 31.700 -0.012 0.000 0.786 57 E N 0.057 120.246 120.200 -0.018 0.000 2.130 57 E HA -0.125 4.225 4.350 0.000 0.000 0.196 57 E C 2.122 178.686 176.600 -0.060 0.000 0.998 57 E CA 1.004 57.376 56.400 -0.046 0.000 0.806 57 E CB -1.364 28.307 29.700 -0.048 0.000 0.738 57 E HN 0.133 nan 8.360 nan 0.000 0.459 58 V N 0.894 120.779 119.914 -0.048 0.000 2.548 58 V HA -0.185 3.935 4.120 0.000 0.000 0.249 58 V C 1.568 177.620 176.094 -0.069 0.000 1.055 58 V CA 1.474 63.744 62.300 -0.051 0.000 1.065 58 V CB -0.368 31.441 31.823 -0.024 0.000 0.681 58 V HN 0.219 nan 8.190 nan 0.000 0.462 59 K N 0.663 121.021 120.400 -0.069 0.000 2.589 59 K HA -0.005 4.315 4.320 0.000 0.000 0.192 59 K C 1.351 177.834 176.600 -0.195 0.000 1.029 59 K CA 0.171 56.387 56.287 -0.117 0.000 1.031 59 K CB -0.197 32.251 32.500 -0.086 0.000 0.821 59 K HN 0.405 nan 8.250 nan 0.000 0.502 60 N N 0.695 119.287 118.700 -0.179 0.000 2.459 60 N HA -0.097 4.643 4.740 0.000 0.000 0.181 60 N C 1.704 177.020 175.510 -0.325 0.000 1.046 60 N CA 0.863 53.787 53.050 -0.210 0.000 0.904 60 N CB 0.035 38.434 38.487 -0.146 0.000 0.964 60 N HN 0.136 nan 8.380 nan 0.000 0.444 61 V N -1.240 118.438 119.914 -0.393 0.000 3.026 61 V HA -0.055 4.066 4.120 0.000 0.000 0.265 61 V C 1.947 177.330 176.094 -1.185 0.000 1.121 61 V CA 0.967 62.863 62.300 -0.672 0.000 1.142 61 V CB -0.786 30.674 31.823 -0.605 0.000 0.730 61 V HN 0.153 nan 8.190 nan 0.000 0.503 62 I N 1.076 121.130 120.570 -0.860 0.000 2.394 62 I HA -0.147 4.023 4.170 0.000 0.000 0.251 62 I C 2.418 178.109 176.117 -0.711 0.000 1.136 62 I CA 1.330 62.042 61.300 -0.979 0.000 1.425 62 I CB -0.439 37.059 38.000 -0.838 0.000 1.079 62 I HN 0.386 nan 8.210 nan 0.000 0.425 63 N N 0.062 118.473 118.700 -0.482 0.000 2.188 63 N HA -0.176 4.564 4.740 0.000 0.000 0.184 63 N C 1.933 177.277 175.510 -0.277 0.000 1.018 63 N CA 1.843 54.720 53.050 -0.289 0.000 0.858 63 N CB -0.499 37.866 38.487 -0.204 0.000 0.989 63 N HN 0.315 nan 8.380 nan 0.000 0.426 64 T N -0.345 113.971 114.554 -0.396 0.000 2.904 64 T HA -0.010 4.340 4.350 0.000 0.000 0.267 64 T C 1.542 176.114 174.700 -0.213 0.000 1.059 64 T CA 0.640 62.576 62.100 -0.272 0.000 1.137 64 T CB -0.148 68.581 68.868 -0.232 0.000 0.879 64 T HN -0.032 nan 8.240 nan 0.000 0.467 65 F N 1.967 121.659 119.950 -0.431 0.000 2.163 65 F HA 0.111 4.638 4.527 0.000 0.000 0.297 65 F C 2.878 178.353 175.800 -0.541 0.000 1.094 65 F CA 0.889 58.461 58.000 -0.714 0.000 1.290 65 F CB -1.577 36.672 39.000 -1.252 0.000 1.017 65 F HN 0.169 nan 8.300 nan 0.000 0.483 66 T N -0.377 114.106 114.554 -0.118 0.000 2.759 66 T HA -0.265 4.085 4.350 0.000 0.000 0.269 66 T C 1.984 176.656 174.700 -0.047 0.000 1.042 66 T CA 1.602 63.755 62.100 0.088 0.000 1.140 66 T CB -0.342 68.662 68.868 0.226 0.000 0.864 66 T HN 0.332 nan 8.240 nan 0.000 0.455 67 Q N 0.287 120.057 119.800 -0.051 0.000 2.084 67 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 67 Q C 2.224 178.206 176.000 -0.030 0.000 0.978 67 Q CA 1.558 57.342 55.803 -0.031 0.000 0.844 67 Q CB -0.199 28.521 28.738 -0.029 0.000 0.898 67 Q HN 0.436 nan 8.270 nan 0.000 0.426 68 T N 0.624 115.174 114.554 -0.006 0.000 2.708 68 T HA -0.101 4.249 4.350 0.000 0.000 0.266 68 T C 1.807 176.513 174.700 0.009 0.000 1.037 68 T CA 1.297 63.432 62.100 0.059 0.000 1.146 68 T CB -0.423 68.568 68.868 0.206 0.000 0.865 68 T HN 0.472 nan 8.240 nan 0.000 0.435 69 A N 1.613 124.375 122.820 -0.097 0.000 1.978 69 A HA -0.122 4.198 4.320 0.000 0.000 0.220 69 A C 2.305 179.672 177.584 -0.362 0.000 1.170 69 A CA 1.373 53.190 52.037 -0.366 0.000 0.636 69 A CB -0.475 17.752 19.000 -1.289 0.000 0.810 69 A HN 0.418 nan 8.150 nan 0.000 0.448 70 R N 0.033 120.386 120.500 -0.245 0.000 2.236 70 R HA 0.041 4.381 4.340 0.000 0.000 0.208 70 R C 1.097 177.391 176.300 -0.011 0.000 1.036 70 R CA 0.514 56.574 56.100 -0.067 0.000 1.001 70 R CB -0.197 30.107 30.300 0.005 0.000 0.896 70 R HN 0.451 nan 8.270 nan 0.000 0.464 71 S N 0.916 116.608 115.700 -0.014 0.000 2.558 71 S HA -0.074 4.396 4.470 0.000 0.000 0.288 71 S C 0.716 175.340 174.600 0.040 0.000 1.318 71 S CA -0.476 57.733 58.200 0.015 0.000 1.056 71 S CB 0.627 63.837 63.200 0.016 0.000 0.853 71 S HN 0.132 nan 8.310 nan 0.000 0.505 72 D N 3.208 123.640 120.400 0.053 0.000 2.264 72 D HA -0.033 4.607 4.640 0.000 0.000 0.208 72 D C 1.233 177.622 176.300 0.147 0.000 0.966 72 D CA 0.975 55.028 54.000 0.089 0.000 0.864 72 D CB 0.009 40.860 40.800 0.085 0.000 0.933 72 D HN 0.585 nan 8.370 nan 0.000 0.499 73 R N -0.549 120.019 120.500 0.115 0.000 2.480 73 R HA 0.204 4.544 4.340 0.000 0.000 0.277 73 R C -0.115 176.299 176.300 0.189 0.000 1.008 73 R CA -0.194 56.008 56.100 0.170 0.000 1.090 73 R CB 0.354 30.580 30.300 -0.122 0.000 1.234 73 R HN 0.003 nan 8.270 nan 0.000 0.549 74 C N 0.082 119.464 119.300 0.136 0.000 2.712 74 C HA 0.859 5.319 4.460 0.000 0.000 0.308 74 C C -0.966 174.066 174.990 0.070 0.000 1.201 74 C CA -0.346 58.729 59.018 0.094 0.000 1.554 74 C CB 1.397 29.166 27.740 0.047 0.000 2.117 74 C HN 0.448 nan 8.230 nan 0.000 0.480 75 A N 3.519 126.363 122.820 0.041 0.000 2.539 75 A HA 0.841 5.161 4.320 0.000 0.000 0.296 75 A C -1.580 175.917 177.584 -0.145 0.000 1.073 75 A CA -0.345 51.656 52.037 -0.060 0.000 0.700 75 A CB 1.190 20.153 19.000 -0.061 0.000 1.296 75 A HN 1.086 nan 8.150 nan 0.000 0.405 76 F N 0.881 120.571 119.950 -0.432 0.000 2.508 76 F HA 0.768 5.295 4.527 0.000 0.000 0.325 76 F C -1.536 173.833 175.800 -0.717 0.000 1.090 76 F CA -1.056 56.720 58.000 -0.374 0.000 0.945 76 F CB 1.710 40.708 39.000 -0.003 0.000 1.156 76 F HN 0.452 nan 8.300 nan 0.000 0.463 77 Y N 4.324 123.972 120.300 -1.088 0.000 2.563 77 Y HA 0.438 4.988 4.550 0.000 0.000 0.351 77 Y C 0.488 175.827 175.900 -0.935 0.000 1.087 77 Y CA -0.959 56.652 58.100 -0.814 0.000 1.272 77 Y CB 1.101 39.122 38.460 -0.731 0.000 1.095 77 Y HN 0.772 nan 8.280 nan 0.000 0.620 78 G N 0.469 108.690 108.800 -0.965 0.000 2.621 78 G HA2 0.215 4.176 3.960 0.000 0.000 0.271 78 G HA3 0.215 4.176 3.960 0.000 0.000 0.271 78 G C 0.319 175.134 174.900 -0.141 0.000 1.236 78 G CA -0.343 44.462 45.100 -0.492 0.000 0.958 78 G HN 0.713 nan 8.290 nan 0.000 0.512 79 N N -2.584 116.082 118.700 -0.057 0.000 2.725 79 N HA -0.195 4.545 4.740 0.000 0.000 0.249 79 N C -0.662 174.861 175.510 0.023 0.000 1.103 79 N CA 0.966 54.011 53.050 -0.008 0.000 0.707 79 N CB -0.943 37.544 38.487 0.001 0.000 1.043 79 N HN 0.430 nan 8.380 nan 0.000 0.553 80 V N 0.667 120.589 119.914 0.015 0.000 2.419 80 V HA 0.251 4.371 4.120 0.000 0.000 0.287 80 V C 0.085 176.184 176.094 0.008 0.000 1.017 80 V CA -0.739 61.588 62.300 0.046 0.000 0.844 80 V CB 1.654 33.570 31.823 0.156 0.000 1.011 80 V HN 0.229 nan 8.190 nan 0.000 0.429 81 E N 4.010 124.192 120.200 -0.030 0.000 1.993 81 E HA 0.361 4.711 4.350 0.000 0.000 0.271 81 E C -0.389 176.146 176.600 -0.109 0.000 1.008 81 E CA -0.402 55.957 56.400 -0.068 0.000 0.814 81 E CB 1.306 30.964 29.700 -0.071 0.000 1.098 81 E HN 0.563 nan 8.360 nan 0.000 0.407 82 V N 3.336 123.168 119.914 -0.136 0.000 2.720 82 V HA 0.035 4.155 4.120 0.000 0.000 0.307 82 V C 1.557 177.538 176.094 -0.189 0.000 1.071 82 V CA 1.670 63.858 62.300 -0.188 0.000 1.199 82 V CB 0.780 32.480 31.823 -0.205 0.000 0.900 82 V HN 1.073 nan 8.190 nan 0.000 0.494 83 G N 3.735 112.434 108.800 -0.170 0.000 2.241 83 G HA2 -0.308 3.652 3.960 0.000 0.000 0.244 83 G HA3 -0.308 3.652 3.960 0.000 0.000 0.244 83 G C 0.882 175.708 174.900 -0.123 0.000 0.998 83 G CA 0.857 45.867 45.100 -0.151 0.000 0.621 83 G HN 0.767 nan 8.290 nan 0.000 0.519 84 R N -0.198 120.232 120.500 -0.117 0.000 2.207 84 R HA 0.271 4.611 4.340 0.000 0.000 0.184 84 R C 1.816 178.069 176.300 -0.078 0.000 1.280 84 R CA 1.028 57.074 56.100 -0.090 0.000 1.166 84 R CB -0.214 30.036 30.300 -0.083 0.000 1.116 84 R HN 0.134 nan 8.270 nan 0.000 0.494 85 D N 0.006 120.358 120.400 -0.079 0.000 2.194 85 D HA 0.002 4.643 4.640 0.000 0.000 0.204 85 D C -0.135 176.105 176.300 -0.098 0.000 0.964 85 D CA 0.861 54.821 54.000 -0.067 0.000 0.846 85 D CB 0.601 41.374 40.800 -0.044 0.000 0.962 85 D HN 0.039 nan 8.370 nan 0.000 0.490 86 V N 0.760 120.592 119.914 -0.136 0.000 2.733 86 V HA 0.332 4.452 4.120 0.000 0.000 0.306 86 V C -0.562 175.426 176.094 -0.177 0.000 1.084 86 V CA -0.561 61.629 62.300 -0.183 0.000 0.905 86 V CB 2.018 33.679 31.823 -0.269 0.000 1.010 86 V HN 0.168 nan 8.190 nan 0.000 0.424 87 T N 3.133 117.599 114.554 -0.147 0.000 2.874 87 T HA 0.410 4.760 4.350 0.000 0.000 0.281 87 T C 1.109 175.736 174.700 -0.122 0.000 0.994 87 T CA 0.175 62.204 62.100 -0.118 0.000 1.015 87 T CB 1.578 70.400 68.868 -0.077 0.000 1.028 87 T HN 0.566 nan 8.240 nan 0.000 0.523 88 V N 1.995 121.853 119.914 -0.095 0.000 2.407 88 V HA -0.165 3.955 4.120 0.000 0.000 0.248 88 V C 2.978 179.051 176.094 -0.035 0.000 1.055 88 V CA 1.860 64.118 62.300 -0.070 0.000 1.049 88 V CB -1.040 30.760 31.823 -0.038 0.000 0.662 88 V HN 0.898 nan 8.190 nan 0.000 0.455 89 Q N -0.173 119.613 119.800 -0.022 0.000 2.135 89 Q HA -0.254 4.086 4.340 0.000 0.000 0.204 89 Q C 2.228 178.242 176.000 0.023 0.000 0.981 89 Q CA 1.911 57.718 55.803 0.006 0.000 0.856 89 Q CB -0.203 28.539 28.738 0.006 0.000 0.902 89 Q HN 0.718 nan 8.270 nan 0.000 0.425 90 E N 0.446 120.641 120.200 -0.009 0.000 2.150 90 E HA -0.127 4.223 4.350 0.000 0.000 0.193 90 E C 1.938 178.527 176.600 -0.019 0.000 0.985 90 E CA 0.662 57.059 56.400 -0.005 0.000 0.814 90 E CB 0.005 29.640 29.700 -0.109 0.000 0.752 90 E HN 0.327 nan 8.360 nan 0.000 0.466 91 L N 0.825 122.023 121.223 -0.043 0.000 2.156 91 L HA -0.155 4.186 4.340 0.000 0.000 0.208 91 L C 2.400 179.375 176.870 0.177 0.000 1.095 91 L CA 0.922 55.786 54.840 0.040 0.000 0.770 91 L CB -0.233 41.764 42.059 -0.105 0.000 0.914 91 L HN 0.114 nan 8.230 nan 0.000 0.439 92 Q N -0.255 119.606 119.800 0.102 0.000 2.224 92 Q HA -0.179 4.161 4.340 0.000 0.000 0.203 92 Q C 1.335 177.406 176.000 0.118 0.000 0.970 92 Q CA 1.075 56.948 55.803 0.117 0.000 0.865 92 Q CB -0.018 28.765 28.738 0.075 0.000 0.922 92 Q HN 0.490 nan 8.270 nan 0.000 0.445 93 D N 0.300 120.776 120.400 0.127 0.000 2.194 93 D HA -0.027 4.613 4.640 0.000 0.000 0.204 93 D C 1.598 177.969 176.300 0.118 0.000 0.964 93 D CA 1.006 55.080 54.000 0.122 0.000 0.846 93 D CB 0.088 41.000 40.800 0.186 0.000 0.962 93 D HN 0.221 nan 8.370 nan 0.000 0.490 94 A N -0.593 122.326 122.820 0.165 0.000 1.975 94 A HA 0.026 4.346 4.320 0.000 0.000 0.215 94 A C 0.431 177.840 177.584 -0.292 0.000 1.170 94 A CA 0.666 52.706 52.037 0.006 0.000 0.656 94 A CB -0.137 18.815 19.000 -0.080 0.000 0.821 94 A HN 0.123 nan 8.150 nan 0.000 0.449 95 Y N -2.450 117.854 120.300 0.007 0.000 2.602 95 Y HA 0.493 5.043 4.550 0.000 0.000 0.330 95 Y C 1.308 177.183 175.900 -0.042 0.000 1.114 95 Y CA -0.564 57.532 58.100 -0.008 0.000 1.182 95 Y CB 0.860 39.360 38.460 0.067 0.000 1.305 95 Y HN 0.207 nan 8.280 nan 0.000 0.502 96 H N 0.203 119.426 119.070 0.255 0.000 2.403 96 H HA 0.394 4.950 4.556 0.000 0.000 0.298 96 H C -0.078 175.367 175.328 0.196 0.000 1.059 96 H CA 1.004 57.156 56.048 0.174 0.000 1.363 96 H CB 0.366 30.205 29.762 0.128 0.000 1.410 96 H HN 0.562 nan 8.280 nan 0.000 0.528 97 A N 0.324 123.344 122.820 0.334 0.000 2.515 97 A HA 0.587 4.907 4.320 0.000 0.000 0.298 97 A C -1.445 176.260 177.584 0.201 0.000 1.059 97 A CA -0.589 51.618 52.037 0.283 0.000 0.698 97 A CB 1.589 20.717 19.000 0.213 0.000 1.289 97 A HN 0.007 nan 8.150 nan 0.000 0.404 98 V N 1.780 121.820 119.914 0.210 0.000 2.487 98 V HA 0.531 4.651 4.120 0.000 0.000 0.298 98 V C -0.605 175.588 176.094 0.165 0.000 1.028 98 V CA -0.556 61.803 62.300 0.098 0.000 0.860 98 V CB 1.602 33.461 31.823 0.060 0.000 0.991 98 V HN 0.691 nan 8.190 nan 0.000 0.427 99 V N 6.137 126.110 119.914 0.099 0.000 2.384 99 V HA 0.453 4.573 4.120 0.000 0.000 0.287 99 V C -0.139 176.013 176.094 0.097 0.000 1.020 99 V CA -0.545 61.833 62.300 0.130 0.000 0.850 99 V CB 1.645 33.520 31.823 0.086 0.000 0.987 99 V HN 0.652 nan 8.190 nan 0.000 0.436 100 L N 4.081 125.372 121.223 0.114 0.000 2.281 100 L HA 0.450 4.791 4.340 0.000 0.000 0.285 100 L C 0.535 177.416 176.870 0.019 0.000 1.074 100 L CA 0.204 55.118 54.840 0.122 0.000 0.817 100 L CB 1.203 43.355 42.059 0.156 0.000 1.168 100 L HN 0.688 nan 8.230 nan 0.000 0.434 101 S N 1.194 116.914 115.700 0.034 0.000 2.941 101 S HA 0.101 4.571 4.470 0.000 0.000 0.248 101 S C 0.180 174.783 174.600 0.005 0.000 0.962 101 S CA -0.555 57.631 58.200 -0.024 0.000 1.092 101 S CB 0.017 63.219 63.200 0.002 0.000 1.113 101 S HN 0.626 nan 8.310 nan 0.000 0.512 102 Y N 0.918 121.244 120.300 0.043 0.000 2.547 102 Y HA 0.551 5.101 4.550 0.000 0.000 0.325 102 Y C 1.002 176.940 175.900 0.063 0.000 1.165 102 Y CA -0.480 57.641 58.100 0.035 0.000 1.300 102 Y CB -1.163 37.308 38.460 0.019 0.000 1.126 102 Y HN 0.327 nan 8.280 nan 0.000 0.513 103 G N 1.198 110.008 108.800 0.016 0.000 2.622 103 G HA2 -0.088 3.872 3.960 0.000 0.000 0.272 103 G HA3 -0.088 3.872 3.960 0.000 0.000 0.272 103 G C -0.218 174.820 174.900 0.231 0.000 1.308 103 G CA -0.080 45.099 45.100 0.130 0.000 0.919 103 G HN 1.330 nan 8.290 nan 0.000 0.565 104 A N -0.998 122.057 122.820 0.391 0.000 2.431 104 A HA 0.725 5.046 4.320 0.000 0.000 0.318 104 A C 0.656 178.375 177.584 0.225 0.000 1.330 104 A CA 0.913 53.153 52.037 0.338 0.000 0.804 104 A CB 1.195 20.423 19.000 0.380 0.000 1.135 104 A HN 0.805 nan 8.150 nan 0.000 0.483 105 E N 1.746 122.024 120.200 0.129 0.000 2.051 105 E HA -0.059 4.292 4.350 0.000 0.000 0.189 105 E C -0.201 176.250 176.600 -0.248 0.000 0.979 105 E CA 0.512 56.889 56.400 -0.038 0.000 0.803 105 E CB 0.118 29.807 29.700 -0.018 0.000 0.761 105 E HN 0.754 nan 8.360 nan 0.000 0.451 106 D N 0.621 120.953 120.400 -0.113 0.000 2.472 106 D HA -0.013 4.627 4.640 0.000 0.000 0.237 106 D C -0.476 175.775 176.300 -0.080 0.000 1.141 106 D CA 0.627 54.541 54.000 -0.143 0.000 0.875 106 D CB 0.400 41.213 40.800 0.022 0.000 1.192 106 D HN 0.180 nan 8.370 nan 0.000 0.450 107 H N 1.705 120.895 119.070 0.201 0.000 2.458 107 H HA 0.173 4.729 4.556 0.000 0.000 0.330 107 H C 0.150 175.586 175.328 0.180 0.000 1.111 107 H CA -0.551 55.666 56.048 0.280 0.000 1.245 107 H CB 0.868 30.775 29.762 0.242 0.000 1.456 107 H HN 0.224 nan 8.280 nan 0.000 0.488 108 Q N 1.713 121.673 119.800 0.267 0.000 2.301 108 Q HA 0.215 4.555 4.340 0.000 0.000 0.262 108 Q C 0.252 176.318 176.000 0.110 0.000 1.168 108 Q CA -0.224 55.654 55.803 0.123 0.000 0.908 108 Q CB 0.372 29.127 28.738 0.029 0.000 1.348 108 Q HN 0.603 nan 8.270 nan 0.000 0.441 109 A N 3.446 126.325 122.820 0.097 0.000 2.445 109 A HA 0.126 4.446 4.320 0.000 0.000 0.242 109 A C 1.164 178.774 177.584 0.043 0.000 1.075 109 A CA -0.266 51.815 52.037 0.073 0.000 0.777 109 A CB 0.341 19.379 19.000 0.063 0.000 1.013 109 A HN 0.891 nan 8.150 nan 0.000 0.493 110 L N 0.709 121.951 121.223 0.031 0.000 2.156 110 L HA -0.053 4.287 4.340 0.000 0.000 0.208 110 L C 0.650 177.526 176.870 0.011 0.000 1.095 110 L CA 0.950 55.799 54.840 0.015 0.000 0.770 110 L CB -0.367 41.696 42.059 0.007 0.000 0.914 110 L HN 0.862 nan 8.230 nan 0.000 0.439 111 D N 1.220 121.628 120.400 0.013 0.000 2.828 111 D HA -0.195 4.445 4.640 0.000 0.000 0.241 111 D C -0.557 175.744 176.300 0.003 0.000 1.142 111 D CA 0.758 54.764 54.000 0.010 0.000 0.755 111 D CB -0.813 39.995 40.800 0.013 0.000 1.014 111 D HN 0.460 nan 8.370 nan 0.000 0.420 112 I N -3.548 117.021 120.570 -0.002 0.000 2.994 112 I HA 0.656 4.827 4.170 0.000 0.000 0.306 112 I C -2.720 173.391 176.117 -0.010 0.000 1.195 112 I CA -2.613 58.683 61.300 -0.006 0.000 1.001 112 I CB 2.246 40.241 38.000 -0.008 0.000 1.244 112 I HN -0.295 nan 8.210 nan 0.000 0.437 113 P HA 0.163 nan 4.420 nan 0.000 0.262 113 P C 0.672 177.960 177.300 -0.020 0.000 1.182 113 P CA 1.209 64.301 63.100 -0.014 0.000 0.761 113 P CB 0.517 32.210 31.700 -0.013 0.000 0.795 114 G N 2.925 111.711 108.800 -0.023 0.000 2.143 114 G HA2 -0.291 3.670 3.960 0.000 0.000 0.248 114 G HA3 -0.291 3.670 3.960 0.000 0.000 0.248 114 G C 0.777 175.651 174.900 -0.043 0.000 0.991 114 G CA 0.488 45.568 45.100 -0.032 0.000 0.689 114 G HN 0.685 nan 8.290 nan 0.000 0.522 115 E N -0.557 119.621 120.200 -0.036 0.000 2.511 115 E HA 0.062 4.412 4.350 0.000 0.000 0.196 115 E C 1.302 177.865 176.600 -0.061 0.000 1.066 115 E CA 0.790 57.165 56.400 -0.043 0.000 0.871 115 E CB 0.069 29.755 29.700 -0.023 0.000 0.863 115 E HN 0.362 nan 8.360 nan 0.000 0.520 116 E N 0.588 120.752 120.200 -0.060 0.000 2.481 116 E HA 0.198 4.548 4.350 0.000 0.000 0.198 116 E C 0.277 176.819 176.600 -0.097 0.000 1.027 116 E CA -0.191 56.167 56.400 -0.071 0.000 0.900 116 E CB 0.365 30.040 29.700 -0.043 0.000 0.993 116 E HN 0.335 nan 8.360 nan 0.000 0.482 117 L N 2.593 123.757 121.223 -0.099 0.000 2.485 117 L HA 0.072 4.412 4.340 0.000 0.000 0.275 117 L C -2.036 174.733 176.870 -0.169 0.000 1.207 117 L CA -1.423 53.354 54.840 -0.105 0.000 0.855 117 L CB 0.021 42.029 42.059 -0.085 0.000 1.114 117 L HN -0.248 nan 8.230 nan 0.000 0.485 118 P HA 0.032 nan 4.420 nan 0.000 0.265 118 P C 0.588 177.740 177.300 -0.247 0.000 1.193 118 P CA 0.793 63.771 63.100 -0.203 0.000 0.765 118 P CB 0.735 32.376 31.700 -0.097 0.000 0.823 119 G N 1.004 109.530 108.800 -0.455 0.000 2.201 119 G HA2 -0.168 3.792 3.960 0.000 0.000 0.212 119 G HA3 -0.168 3.792 3.960 0.000 0.000 0.212 119 G C -0.171 174.455 174.900 -0.457 0.000 0.994 119 G CA -0.269 44.639 45.100 -0.321 0.000 0.644 119 G HN 0.505 nan 8.290 nan 0.000 0.508 120 V N 1.705 121.240 119.914 -0.632 0.000 2.370 120 V HA 0.809 4.929 4.120 0.000 0.000 0.279 120 V C -0.193 175.527 176.094 -0.623 0.000 1.029 120 V CA -0.394 61.656 62.300 -0.417 0.000 0.870 120 V CB 0.747 32.428 31.823 -0.236 0.000 0.984 120 V HN 0.226 nan 8.190 nan 0.000 0.451 121 F N 1.413 121.342 119.950 -0.034 0.000 2.640 121 F HA 0.575 5.102 4.527 0.000 0.000 0.324 121 F C 0.484 176.271 175.800 -0.022 0.000 1.077 121 F CA -0.837 57.149 58.000 -0.023 0.000 0.965 121 F CB 2.018 41.008 39.000 -0.016 0.000 1.351 121 F HN 0.362 nan 8.300 nan 0.000 0.487 122 S N 0.584 116.399 115.700 0.192 0.000 2.545 122 S HA 0.511 4.981 4.470 0.000 0.000 0.275 122 S C 0.962 175.605 174.600 0.072 0.000 1.299 122 S CA -0.020 58.206 58.200 0.043 0.000 1.048 122 S CB 1.142 64.231 63.200 -0.185 0.000 0.938 122 S HN 0.818 nan 8.310 nan 0.000 0.496 123 A N 5.320 128.196 122.820 0.094 0.000 1.978 123 A HA -0.102 4.218 4.320 0.000 0.000 0.220 123 A C 2.193 179.870 177.584 0.156 0.000 1.170 123 A CA 1.460 53.583 52.037 0.144 0.000 0.636 123 A CB -0.475 18.620 19.000 0.158 0.000 0.810 123 A HN 0.915 nan 8.150 nan 0.000 0.448 124 R N -1.051 119.487 120.500 0.064 0.000 2.236 124 R HA 0.099 4.439 4.340 0.000 0.000 0.208 124 R C 2.134 178.395 176.300 -0.065 0.000 1.036 124 R CA 0.758 56.858 56.100 -0.000 0.000 1.001 124 R CB -0.184 30.080 30.300 -0.060 0.000 0.896 124 R HN 0.525 nan 8.270 nan 0.000 0.464 125 A N -0.155 122.618 122.820 -0.078 0.000 1.935 125 A HA -0.107 4.213 4.320 0.000 0.000 0.214 125 A C 1.724 179.313 177.584 0.010 0.000 1.178 125 A CA 0.502 52.526 52.037 -0.021 0.000 0.640 125 A CB -0.389 18.625 19.000 0.024 0.000 0.825 125 A HN 0.372 nan 8.150 nan 0.000 0.447 126 F N 0.668 120.547 119.950 -0.118 0.000 2.186 126 F HA -0.115 4.412 4.527 0.000 0.000 0.299 126 F C 2.170 177.861 175.800 -0.182 0.000 1.090 126 F CA 1.680 59.620 58.000 -0.101 0.000 1.307 126 F CB -0.097 38.876 39.000 -0.045 0.000 1.019 126 F HN 0.032 nan 8.300 nan 0.000 0.489 127 V N -0.042 119.725 119.914 -0.245 0.000 2.307 127 V HA -0.197 3.923 4.120 0.000 0.000 0.245 127 V C 2.742 178.434 176.094 -0.670 0.000 1.045 127 V CA 1.919 63.760 62.300 -0.766 0.000 1.024 127 V CB -1.599 30.104 31.823 -0.199 0.000 0.651 127 V HN 0.483 nan 8.190 nan 0.000 0.449 128 G N -1.373 107.278 108.800 -0.247 0.000 2.448 128 G HA2 -0.306 3.654 3.960 0.000 0.000 0.219 128 G HA3 -0.306 3.654 3.960 0.000 0.000 0.219 128 G C 1.277 176.109 174.900 -0.113 0.000 1.127 128 G CA 0.675 45.704 45.100 -0.119 0.000 0.766 128 G HN 0.639 nan 8.290 nan 0.000 0.552 129 W N 2.062 123.143 121.300 -0.366 0.000 2.353 129 W HA -0.146 4.514 4.660 0.000 0.000 0.319 129 W C 2.327 178.705 176.519 -0.234 0.000 1.207 129 W CA 1.797 58.954 57.345 -0.313 0.000 1.291 129 W CB -0.759 28.445 29.460 -0.427 0.000 1.159 129 W HN 0.360 nan 8.180 nan 0.000 0.478 130 Y N -0.580 119.400 120.300 -0.535 0.000 2.561 130 Y HA 0.234 4.784 4.550 0.000 0.000 0.291 130 Y C 1.431 177.125 175.900 -0.343 0.000 1.141 130 Y CA 0.907 58.572 58.100 -0.723 0.000 1.303 130 Y CB -1.650 36.407 38.460 -0.673 0.000 1.015 130 Y HN -0.071 nan 8.280 nan 0.000 0.547 131 N N 0.618 119.290 118.700 -0.047 0.000 2.270 131 N HA 0.150 4.890 4.740 0.000 0.000 0.198 131 N C 1.362 176.940 175.510 0.113 0.000 1.117 131 N CA 0.799 53.903 53.050 0.090 0.000 0.845 131 N CB 0.332 38.886 38.487 0.113 0.000 0.980 131 N HN 0.623 nan 8.380 nan 0.000 0.486 132 G N 0.797 109.617 108.800 0.034 0.000 2.143 132 G HA2 -0.276 3.684 3.960 0.000 0.000 0.248 132 G HA3 -0.276 3.684 3.960 0.000 0.000 0.248 132 G C -0.061 174.960 174.900 0.202 0.000 0.991 132 G CA 0.003 45.159 45.100 0.093 0.000 0.689 132 G HN 0.330 nan 8.290 nan 0.000 0.522 133 L N 0.790 122.086 121.223 0.121 0.000 2.477 133 L HA 0.461 4.801 4.340 0.000 0.000 0.272 133 L C -0.155 176.644 176.870 -0.119 0.000 1.157 133 L CA -1.232 53.474 54.840 -0.223 0.000 0.889 133 L CB 0.852 42.690 42.059 -0.369 0.000 1.158 133 L HN -0.069 nan 8.230 nan 0.000 0.473 134 P HA -0.253 nan 4.420 nan 0.000 0.216 134 P C 0.988 178.262 177.300 -0.043 0.000 1.157 134 P CA 1.949 65.019 63.100 -0.051 0.000 0.880 134 P CB 0.006 31.676 31.700 -0.050 0.000 0.791 135 E N -1.109 119.046 120.200 -0.076 0.000 2.333 135 E HA -0.175 4.175 4.350 0.000 0.000 0.198 135 E C 0.854 177.454 176.600 0.000 0.000 1.007 135 E CA 1.010 57.388 56.400 -0.036 0.000 0.845 135 E CB -0.773 28.897 29.700 -0.049 0.000 0.766 135 E HN 0.282 nan 8.360 nan 0.000 0.507 136 N N 1.123 119.825 118.700 0.003 0.000 2.205 136 N HA 0.025 4.765 4.740 0.000 0.000 0.201 136 N C 1.341 176.933 175.510 0.137 0.000 1.128 136 N CA 0.276 53.359 53.050 0.056 0.000 0.867 136 N CB 0.174 38.689 38.487 0.047 0.000 0.996 136 N HN 0.395 nan 8.380 nan 0.000 0.503 137 R N 1.089 121.647 120.500 0.096 0.000 2.237 137 R HA 0.029 4.369 4.340 0.000 0.000 0.219 137 R C 0.320 176.724 176.300 0.173 0.000 1.080 137 R CA 1.088 57.264 56.100 0.126 0.000 0.995 137 R CB -0.202 30.131 30.300 0.054 0.000 0.875 137 R HN 0.156 nan 8.270 nan 0.000 0.462 138 E N 0.755 121.030 120.200 0.124 0.000 2.569 138 E HA 0.036 4.386 4.350 0.000 0.000 0.205 138 E C 0.832 177.461 176.600 0.050 0.000 1.006 138 E CA -0.277 56.181 56.400 0.096 0.000 0.985 138 E CB 0.490 30.228 29.700 0.064 0.000 1.060 138 E HN 0.137 nan 8.360 nan 0.000 0.460 139 L N 1.502 122.731 121.223 0.009 0.000 2.042 139 L HA -0.061 4.279 4.340 0.000 0.000 0.210 139 L C 1.024 177.706 176.870 -0.313 0.000 1.076 139 L CA 1.733 56.445 54.840 -0.213 0.000 0.749 139 L CB -0.442 41.332 42.059 -0.475 0.000 0.893 139 L HN 0.234 nan 8.230 nan 0.000 0.432 140 A N -0.366 122.265 122.820 -0.315 0.000 2.261 140 A HA -0.171 4.149 4.320 0.000 0.000 0.282 140 A C -1.702 175.708 177.584 -0.291 0.000 1.403 140 A CA 0.428 52.337 52.037 -0.215 0.000 0.753 140 A CB -2.365 16.626 19.000 -0.015 0.000 1.125 140 A HN 0.503 nan 8.150 nan 0.000 0.358 141 P HA 0.168 nan 4.420 nan 0.000 0.269 141 P C -0.464 176.775 177.300 -0.102 0.000 1.209 141 P CA -0.067 62.809 63.100 -0.374 0.000 0.776 141 P CB 0.656 31.983 31.700 -0.621 0.000 0.876 142 D N 3.019 123.454 120.400 0.058 0.000 2.393 142 D HA 0.097 4.738 4.640 0.000 0.000 0.232 142 D C 0.504 176.836 176.300 0.054 0.000 1.192 142 D CA -0.199 53.834 54.000 0.055 0.000 0.882 142 D CB 0.236 41.077 40.800 0.069 0.000 1.038 142 D HN 0.294 nan 8.370 nan 0.000 0.499 143 L N 3.206 124.458 121.223 0.049 0.000 2.728 143 L HA 0.036 4.376 4.340 0.000 0.000 0.235 143 L C 1.995 178.898 176.870 0.054 0.000 1.197 143 L CA -0.169 54.708 54.840 0.061 0.000 0.992 143 L CB -0.083 42.033 42.059 0.095 0.000 1.263 143 L HN 0.281 nan 8.230 nan 0.000 0.484 144 S N -2.200 113.528 115.700 0.046 0.000 2.527 144 S HA 0.020 4.490 4.470 0.000 0.000 0.222 144 S C 0.864 175.485 174.600 0.035 0.000 0.985 144 S CA -0.496 57.728 58.200 0.039 0.000 0.921 144 S CB -0.466 62.755 63.200 0.035 0.000 0.772 144 S HN 0.371 nan 8.310 nan 0.000 0.529 145 C N 1.968 121.289 119.300 0.035 0.000 2.398 145 C HA 0.458 4.918 4.460 0.000 0.000 0.364 145 C C 1.773 176.784 174.990 0.035 0.000 1.219 145 C CA -0.362 58.676 59.018 0.033 0.000 2.312 145 C CB 1.038 28.796 27.740 0.031 0.000 2.428 145 C HN 0.643 nan 8.230 nan 0.000 0.564 146 D N 0.198 120.620 120.400 0.037 0.000 2.162 146 D HA -0.054 4.586 4.640 0.000 0.000 0.203 146 D C 0.451 176.779 176.300 0.047 0.000 0.967 146 D CA 1.185 55.208 54.000 0.039 0.000 0.840 146 D CB 0.301 41.125 40.800 0.040 0.000 0.972 146 D HN 0.641 nan 8.370 nan 0.000 0.482 147 T N -0.001 114.591 114.554 0.063 0.000 2.859 147 T HA 0.718 5.068 4.350 0.000 0.000 0.281 147 T C -0.664 174.081 174.700 0.075 0.000 1.005 147 T CA -0.651 61.504 62.100 0.091 0.000 1.025 147 T CB 1.813 70.770 68.868 0.149 0.000 0.977 147 T HN 0.132 nan 8.240 nan 0.000 0.458 148 A N 2.136 125.004 122.820 0.079 0.000 2.374 148 A HA 0.748 5.068 4.320 0.000 0.000 0.305 148 A C -0.923 176.717 177.584 0.094 0.000 1.053 148 A CA -0.633 51.432 52.037 0.047 0.000 0.726 148 A CB 1.320 20.314 19.000 -0.011 0.000 1.229 148 A HN 0.656 nan 8.150 nan 0.000 0.431 149 V N 3.677 123.639 119.914 0.080 0.000 2.459 149 V HA 0.438 4.558 4.120 0.000 0.000 0.295 149 V C -0.430 175.702 176.094 0.064 0.000 1.029 149 V CA -0.247 62.120 62.300 0.111 0.000 0.874 149 V CB 1.462 33.338 31.823 0.088 0.000 0.985 149 V HN 0.740 nan 8.190 nan 0.000 0.438 150 I N 6.002 126.623 120.570 0.085 0.000 2.362 150 I HA 0.408 4.578 4.170 0.000 0.000 0.289 150 I C -0.548 175.607 176.117 0.064 0.000 0.994 150 I CA -0.461 60.876 61.300 0.062 0.000 1.158 150 I CB 1.573 39.614 38.000 0.069 0.000 1.315 150 I HN 0.335 nan 8.210 nan 0.000 0.451 151 L N 6.592 127.841 121.223 0.043 0.000 2.260 151 L HA 0.713 5.053 4.340 0.000 0.000 0.289 151 L C 0.543 177.430 176.870 0.028 0.000 1.057 151 L CA -0.247 54.610 54.840 0.029 0.000 0.811 151 L CB 0.806 42.874 42.059 0.015 0.000 1.184 151 L HN 0.899 nan 8.230 nan 0.000 0.429 152 G N 3.092 111.908 108.800 0.026 0.000 2.742 152 G HA2 -0.109 3.851 3.960 0.000 0.000 0.686 152 G HA3 -0.109 3.851 3.960 0.000 0.000 0.686 152 G C -0.798 174.146 174.900 0.073 0.000 1.220 152 G CA -0.846 44.268 45.100 0.023 0.000 0.783 152 G HN 0.578 nan 8.290 nan 0.000 0.646 153 Q N 0.688 120.535 119.800 0.078 0.000 2.769 153 Q HA 0.499 4.839 4.340 0.000 0.000 0.375 153 Q C 0.905 177.033 176.000 0.213 0.000 0.996 153 Q CA 0.044 55.963 55.803 0.193 0.000 1.042 153 Q CB 1.258 30.097 28.738 0.168 0.000 1.329 153 Q HN 0.958 nan 8.270 nan 0.000 0.427 154 G N -0.024 108.902 108.800 0.211 0.000 2.705 154 G HA2 0.121 4.081 3.960 0.000 0.000 0.299 154 G HA3 0.121 4.081 3.960 0.000 0.000 0.299 154 G C 0.495 175.582 174.900 0.311 0.000 1.315 154 G CA -0.455 44.769 45.100 0.207 0.000 1.045 154 G HN 0.170 nan 8.290 nan 0.000 0.517 155 N N -0.961 117.905 118.700 0.277 0.000 2.166 155 N HA -0.133 4.607 4.740 0.000 0.000 0.186 155 N C 2.426 178.067 175.510 0.220 0.000 1.019 155 N CA 0.772 53.974 53.050 0.253 0.000 0.856 155 N CB -0.225 38.405 38.487 0.238 0.000 0.993 155 N HN 0.188 nan 8.380 nan 0.000 0.426 156 V N 1.423 121.481 119.914 0.239 0.000 2.407 156 V HA -0.204 3.916 4.120 0.000 0.000 0.248 156 V C 2.394 178.612 176.094 0.207 0.000 1.055 156 V CA 1.730 64.181 62.300 0.252 0.000 1.049 156 V CB -0.961 31.048 31.823 0.309 0.000 0.662 156 V HN 0.282 nan 8.190 nan 0.000 0.455 157 A N -0.074 122.855 122.820 0.181 0.000 1.877 157 A HA -0.126 4.194 4.320 0.000 0.000 0.216 157 A C 2.191 179.834 177.584 0.098 0.000 1.186 157 A CA 1.663 53.787 52.037 0.145 0.000 0.620 157 A CB -0.507 18.589 19.000 0.160 0.000 0.822 157 A HN 0.503 nan 8.150 nan 0.000 0.443 158 L N -0.714 120.549 121.223 0.067 0.000 2.201 158 L HA -0.162 4.178 4.340 0.000 0.000 0.212 158 L C 1.959 178.810 176.870 -0.032 0.000 1.105 158 L CA 1.206 56.007 54.840 -0.065 0.000 0.775 158 L CB -0.629 41.333 42.059 -0.161 0.000 0.913 158 L HN 0.295 nan 8.230 nan 0.000 0.440 159 D N -0.105 120.337 120.400 0.069 0.000 2.097 159 D HA -0.139 4.501 4.640 0.000 0.000 0.197 159 D C 2.245 178.630 176.300 0.143 0.000 0.984 159 D CA 1.598 55.651 54.000 0.087 0.000 0.826 159 D CB -0.025 40.882 40.800 0.180 0.000 0.973 159 D HN 0.251 nan 8.370 nan 0.000 0.460 160 V N -1.213 118.841 119.914 0.233 0.000 2.667 160 V HA 0.081 4.201 4.120 0.000 0.000 0.252 160 V C 2.119 178.318 176.094 0.175 0.000 1.065 160 V CA 1.419 63.928 62.300 0.348 0.000 1.083 160 V CB -0.779 31.250 31.823 0.343 0.000 0.692 160 V HN 0.100 nan 8.190 nan 0.000 0.468 161 A N 0.447 123.305 122.820 0.063 0.000 1.968 161 A HA -0.041 4.279 4.320 0.000 0.000 0.217 161 A C 2.488 180.043 177.584 -0.048 0.000 1.169 161 A CA 1.555 53.591 52.037 -0.001 0.000 0.638 161 A CB -0.544 18.439 19.000 -0.029 0.000 0.812 161 A HN 0.532 nan 8.150 nan 0.000 0.446 162 R N -0.399 120.052 120.500 -0.082 0.000 2.073 162 R HA -0.035 4.305 4.340 0.000 0.000 0.229 162 R C 1.740 177.984 176.300 -0.093 0.000 1.120 162 R CA 1.298 57.316 56.100 -0.136 0.000 0.967 162 R CB -0.202 29.994 30.300 -0.172 0.000 0.862 162 R HN 0.410 nan 8.270 nan 0.000 0.436 163 I N 1.248 121.784 120.570 -0.057 0.000 2.315 163 I HA -0.237 3.933 4.170 0.000 0.000 0.248 163 I C 2.194 178.327 176.117 0.027 0.000 1.117 163 I CA 1.197 62.444 61.300 -0.087 0.000 1.404 163 I CB -0.830 37.052 38.000 -0.197 0.000 1.071 163 I HN 0.288 nan 8.210 nan 0.000 0.419 164 L N -0.266 121.025 121.223 0.114 0.000 2.201 164 L HA -0.121 4.219 4.340 0.000 0.000 0.212 164 L C 2.129 179.025 176.870 0.042 0.000 1.105 164 L CA 0.993 55.909 54.840 0.126 0.000 0.775 164 L CB -0.161 41.957 42.059 0.098 0.000 0.913 164 L HN 0.200 nan 8.230 nan 0.000 0.440 165 L N -1.836 119.384 121.223 -0.006 0.000 2.664 165 L HA 0.134 4.474 4.340 0.000 0.000 0.233 165 L C 0.582 177.413 176.870 -0.065 0.000 1.113 165 L CA -0.213 54.610 54.840 -0.028 0.000 0.896 165 L CB 0.114 42.158 42.059 -0.025 0.000 1.163 165 L HN -0.002 nan 8.230 nan 0.000 0.497 166 T N 2.243 116.747 114.554 -0.083 0.000 2.870 166 T HA 0.150 4.500 4.350 0.000 0.000 0.300 166 T C -2.291 172.304 174.700 -0.174 0.000 0.989 166 T CA -0.816 61.208 62.100 -0.126 0.000 1.139 166 T CB 0.791 69.592 68.868 -0.111 0.000 0.920 166 T HN -0.125 nan 8.240 nan 0.000 0.537 167 P HA 0.094 nan 4.420 nan 0.000 0.261 167 P C -1.847 175.302 177.300 -0.251 0.000 1.203 167 P CA -1.098 61.784 63.100 -0.364 0.000 0.767 167 P CB 0.232 31.495 31.700 -0.729 0.000 0.785 168 P HA -0.286 nan 4.420 nan 0.000 0.219 168 P C 0.977 178.257 177.300 -0.032 0.000 1.158 168 P CA 1.621 64.683 63.100 -0.064 0.000 0.895 168 P CB -0.090 31.589 31.700 -0.034 0.000 0.792 169 D N -2.062 118.334 120.400 -0.007 0.000 2.221 169 D HA -0.175 4.465 4.640 0.000 0.000 0.204 169 D C 1.687 178.078 176.300 0.152 0.000 0.982 169 D CA 1.099 55.140 54.000 0.069 0.000 0.857 169 D CB -0.670 40.190 40.800 0.100 0.000 0.934 169 D HN 0.496 nan 8.370 nan 0.000 0.475 170 H N -0.677 118.368 119.070 -0.043 0.000 2.524 170 H HA -0.008 4.548 4.556 0.000 0.000 0.282 170 H C 1.331 176.620 175.328 -0.064 0.000 1.016 170 H CA -0.111 55.907 56.048 -0.049 0.000 1.270 170 H CB 0.502 30.235 29.762 -0.049 0.000 1.394 170 H HN 0.019 nan 8.280 nan 0.000 0.568 171 L N 0.433 121.681 121.223 0.043 0.000 2.585 171 L HA 0.019 4.359 4.340 0.000 0.000 0.226 171 L C 1.867 178.710 176.870 -0.045 0.000 1.113 171 L CA 0.669 55.487 54.840 -0.037 0.000 0.876 171 L CB -0.013 41.991 42.059 -0.091 0.000 1.072 171 L HN 0.163 nan 8.230 nan 0.000 0.468 172 E N 0.323 120.511 120.200 -0.020 0.000 2.114 172 E HA -0.265 4.085 4.350 0.000 0.000 0.199 172 E C 0.947 177.525 176.600 -0.037 0.000 1.008 172 E CA 1.377 57.761 56.400 -0.027 0.000 0.810 172 E CB -0.032 29.662 29.700 -0.011 0.000 0.739 172 E HN 0.409 nan 8.360 nan 0.000 0.456 173 K N 0.985 121.364 120.400 -0.035 0.000 2.576 173 K HA 0.073 4.393 4.320 0.000 0.000 0.209 173 K C 0.201 176.774 176.600 -0.046 0.000 1.049 173 K CA -0.043 56.220 56.287 -0.040 0.000 1.140 173 K CB 0.849 33.327 32.500 -0.037 0.000 0.871 173 K HN 0.135 nan 8.250 nan 0.000 0.479 174 T N -1.639 112.882 114.554 -0.054 0.000 2.897 174 T HA 0.085 4.435 4.350 0.000 0.000 0.278 174 T C 0.730 175.394 174.700 -0.061 0.000 0.981 174 T CA -0.751 61.313 62.100 -0.059 0.000 0.973 174 T CB 1.205 70.027 68.868 -0.076 0.000 1.092 174 T HN 0.097 nan 8.240 nan 0.000 0.543 175 D N -0.440 119.926 120.400 -0.056 0.000 2.323 175 D HA 0.074 4.714 4.640 0.000 0.000 0.239 175 D C 0.660 176.923 176.300 -0.061 0.000 1.129 175 D CA -0.535 53.435 54.000 -0.050 0.000 0.865 175 D CB -0.869 39.909 40.800 -0.036 0.000 0.913 175 D HN 0.657 nan 8.370 nan 0.000 0.517 176 I N 1.977 122.495 120.570 -0.088 0.000 2.775 176 I HA -0.046 4.124 4.170 0.000 0.000 0.290 176 I C 0.478 176.517 176.117 -0.130 0.000 1.203 176 I CA -0.143 61.084 61.300 -0.121 0.000 1.433 176 I CB 0.554 38.441 38.000 -0.188 0.000 1.354 176 I HN 0.098 nan 8.210 nan 0.000 0.579 177 T N 3.365 117.824 114.554 -0.158 0.000 2.934 177 T HA -0.007 4.343 4.350 0.000 0.000 0.306 177 T C 1.195 175.788 174.700 -0.179 0.000 1.042 177 T CA 0.149 62.149 62.100 -0.168 0.000 1.145 177 T CB 0.787 69.517 68.868 -0.229 0.000 0.982 177 T HN 0.808 nan 8.240 nan 0.000 0.544 178 E N 2.655 122.783 120.200 -0.120 0.000 2.153 178 E HA -0.174 4.176 4.350 0.000 0.000 0.194 178 E C 2.179 178.718 176.600 -0.100 0.000 0.988 178 E CA 1.039 57.382 56.400 -0.094 0.000 0.811 178 E CB -0.545 29.119 29.700 -0.059 0.000 0.746 178 E HN 0.803 nan 8.360 nan 0.000 0.466 179 A N 2.009 124.758 122.820 -0.118 0.000 1.858 179 A HA -0.027 4.293 4.320 0.000 0.000 0.216 179 A C 2.545 180.047 177.584 -0.137 0.000 1.190 179 A CA 2.040 54.024 52.037 -0.088 0.000 0.617 179 A CB -0.849 18.107 19.000 -0.074 0.000 0.827 179 A HN 0.432 nan 8.150 nan 0.000 0.443 180 A N -0.824 121.742 122.820 -0.424 0.000 1.930 180 A HA 0.039 4.359 4.320 0.000 0.000 0.217 180 A C 2.106 179.500 177.584 -0.317 0.000 1.175 180 A CA 1.604 53.172 52.037 -0.782 0.000 0.627 180 A CB -0.560 17.556 19.000 -1.473 0.000 0.815 180 A HN 0.684 nan 8.150 nan 0.000 0.443 181 L N 0.186 121.272 121.223 -0.229 0.000 2.083 181 L HA -0.006 4.334 4.340 0.000 0.000 0.209 181 L C 2.294 179.141 176.870 -0.038 0.000 1.083 181 L CA 2.160 56.927 54.840 -0.121 0.000 0.752 181 L CB -0.934 41.059 42.059 -0.109 0.000 0.899 181 L HN 0.283 nan 8.230 nan 0.000 0.433 182 G N -1.145 107.642 108.800 -0.022 0.000 2.402 182 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 182 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 182 G C 1.590 176.535 174.900 0.075 0.000 1.162 182 G CA 0.705 45.819 45.100 0.023 0.000 0.777 182 G HN 0.609 nan 8.290 nan 0.000 0.539 183 A N 0.689 123.594 122.820 0.141 0.000 1.898 183 A HA 0.125 4.445 4.320 0.000 0.000 0.216 183 A C 2.397 180.104 177.584 0.205 0.000 1.181 183 A CA 1.141 53.317 52.037 0.231 0.000 0.620 183 A CB -0.442 18.845 19.000 0.478 0.000 0.819 183 A HN 0.334 nan 8.150 nan 0.000 0.442 184 L N -1.016 120.326 121.223 0.200 0.000 2.191 184 L HA -0.184 4.156 4.340 0.000 0.000 0.212 184 L C 2.784 179.701 176.870 0.080 0.000 1.103 184 L CA 1.140 56.071 54.840 0.151 0.000 0.769 184 L CB -0.424 41.688 42.059 0.089 0.000 0.908 184 L HN 0.373 nan 8.230 nan 0.000 0.438 185 R N -0.569 119.965 120.500 0.056 0.000 2.115 185 R HA -0.097 4.243 4.340 0.000 0.000 0.226 185 R C 1.921 178.245 176.300 0.041 0.000 1.100 185 R CA 0.752 56.872 56.100 0.033 0.000 0.980 185 R CB -0.021 30.291 30.300 0.021 0.000 0.875 185 R HN 0.345 nan 8.270 nan 0.000 0.445 186 Q N 0.210 120.045 119.800 0.058 0.000 2.403 186 Q HA 0.092 4.432 4.340 0.000 0.000 0.203 186 Q C 0.451 176.487 176.000 0.059 0.000 0.932 186 Q CA 0.130 55.965 55.803 0.054 0.000 0.945 186 Q CB 0.530 29.303 28.738 0.058 0.000 1.045 186 Q HN 0.022 nan 8.270 nan 0.000 0.511 187 S N 0.781 116.525 115.700 0.073 0.000 2.549 187 S HA 0.079 4.549 4.470 0.000 0.000 0.286 187 S C 0.738 175.369 174.600 0.051 0.000 1.314 187 S CA -0.077 58.169 58.200 0.075 0.000 1.062 187 S CB 0.459 63.720 63.200 0.102 0.000 0.865 187 S HN 0.206 nan 8.310 nan 0.000 0.498 188 R N 2.897 123.425 120.500 0.046 0.000 2.468 188 R HA 0.238 4.578 4.340 0.000 0.000 0.280 188 R C -0.539 175.780 176.300 0.033 0.000 0.963 188 R CA -0.206 55.915 56.100 0.034 0.000 1.083 188 R CB 0.561 30.880 30.300 0.032 0.000 1.200 188 R HN 0.435 nan 8.270 nan 0.000 0.541 189 V N 1.929 121.866 119.914 0.038 0.000 2.479 189 V HA 0.022 4.142 4.120 0.000 0.000 0.281 189 V C 0.888 176.995 176.094 0.021 0.000 1.031 189 V CA 0.814 63.133 62.300 0.032 0.000 1.038 189 V CB 1.125 32.971 31.823 0.038 0.000 0.981 189 V HN 0.304 nan 8.190 nan 0.000 0.478 190 K N 2.093 122.501 120.400 0.013 0.000 2.481 190 K HA 0.217 4.537 4.320 0.000 0.000 0.210 190 K C 0.009 176.597 176.600 -0.020 0.000 1.161 190 K CA 0.023 56.310 56.287 0.001 0.000 1.023 190 K CB 1.201 33.703 32.500 0.004 0.000 0.971 190 K HN 0.648 nan 8.250 nan 0.000 0.577 191 T N 1.360 115.901 114.554 -0.022 0.000 2.879 191 T HA 0.379 4.729 4.350 0.000 0.000 0.290 191 T C -0.962 173.684 174.700 -0.090 0.000 0.993 191 T CA -0.516 61.534 62.100 -0.084 0.000 0.975 191 T CB 2.458 71.310 68.868 -0.028 0.000 0.981 191 T HN -0.262 nan 8.240 nan 0.000 0.439 192 V N 3.395 123.196 119.914 -0.188 0.000 2.483 192 V HA 0.491 4.611 4.120 0.000 0.000 0.297 192 V C -1.261 174.701 176.094 -0.220 0.000 1.027 192 V CA -0.981 61.259 62.300 -0.101 0.000 0.855 192 V CB 1.596 33.411 31.823 -0.014 0.000 0.995 192 V HN 0.900 nan 8.190 nan 0.000 0.424 193 W N 5.203 126.529 121.300 0.045 0.000 2.475 193 W HA 0.697 5.357 4.660 0.000 0.000 0.317 193 W C -0.262 176.273 176.519 0.027 0.000 1.046 193 W CA -0.472 56.888 57.345 0.026 0.000 1.215 193 W CB 1.595 31.050 29.460 -0.009 0.000 1.335 193 W HN 0.387 nan 8.180 nan 0.000 0.471 194 I N 5.124 125.865 120.570 0.285 0.000 2.330 194 I HA 0.221 4.391 4.170 0.000 0.000 0.286 194 I C -0.389 175.792 176.117 0.107 0.000 1.025 194 I CA -0.846 60.565 61.300 0.185 0.000 1.197 194 I CB 0.332 38.455 38.000 0.205 0.000 1.358 194 I HN -0.026 nan 8.210 nan 0.000 0.467 195 V N 5.219 125.172 119.914 0.064 0.000 2.394 195 V HA 0.680 4.800 4.120 0.000 0.000 0.282 195 V C 0.680 176.751 176.094 -0.038 0.000 1.031 195 V CA -0.485 61.801 62.300 -0.023 0.000 0.881 195 V CB 1.267 33.082 31.823 -0.014 0.000 0.982 195 V HN 0.828 nan 8.190 nan 0.000 0.451 196 G N 3.184 111.930 108.800 -0.090 0.000 2.453 196 G HA2 0.522 4.483 3.960 0.000 0.000 0.323 196 G HA3 0.522 4.483 3.960 0.000 0.000 0.323 196 G C 0.326 175.188 174.900 -0.063 0.000 1.198 196 G CA -0.780 44.287 45.100 -0.055 0.000 0.959 196 G HN 0.662 nan 8.290 nan 0.000 0.482 197 R N 0.058 120.523 120.500 -0.058 0.000 2.092 197 R HA 0.031 4.371 4.340 0.000 0.000 0.231 197 R C 1.399 177.623 176.300 -0.127 0.000 1.119 197 R CA 0.767 56.839 56.100 -0.047 0.000 0.970 197 R CB 0.057 30.341 30.300 -0.027 0.000 0.864 197 R HN 0.434 nan 8.270 nan 0.000 0.440 198 R N -0.493 119.868 120.500 -0.231 0.000 2.748 198 R HA 0.357 4.698 4.340 0.000 0.000 0.220 198 R C 0.553 176.281 176.300 -0.953 0.000 1.404 198 R CA -0.389 55.418 56.100 -0.489 0.000 1.039 198 R CB 0.168 30.319 30.300 -0.248 0.000 1.904 198 R HN 0.100 nan 8.270 nan 0.000 0.529 199 G N -0.163 108.052 108.800 -0.975 0.000 2.557 199 G HA2 0.251 4.211 3.960 0.000 0.000 0.302 199 G HA3 0.251 4.211 3.960 0.000 0.000 0.302 199 G C -2.049 172.466 174.900 -0.642 0.000 1.311 199 G CA -1.237 43.304 45.100 -0.931 0.000 1.030 199 G HN 0.239 nan 8.290 nan 0.000 0.509 200 P HA -0.066 nan 4.420 nan 0.000 0.216 200 P C 1.920 179.020 177.300 -0.334 0.000 1.150 200 P CA 0.814 63.393 63.100 -0.869 0.000 0.837 200 P CB 0.113 31.074 31.700 -1.232 0.000 0.786 201 L N -1.603 119.451 121.223 -0.282 0.000 2.549 201 L HA -0.129 4.211 4.340 0.000 0.000 0.229 201 L C 1.584 178.375 176.870 -0.133 0.000 1.158 201 L CA 1.173 55.924 54.840 -0.148 0.000 0.842 201 L CB -0.569 41.425 42.059 -0.109 0.000 0.952 201 L HN -0.009 nan 8.230 nan 0.000 0.452 202 Q N -1.014 118.685 119.800 -0.168 0.000 2.247 202 Q HA 0.088 4.428 4.340 0.000 0.000 0.211 202 Q C 0.206 176.103 176.000 -0.173 0.000 0.861 202 Q CA -0.118 55.598 55.803 -0.145 0.000 0.949 202 Q CB 0.685 29.338 28.738 -0.140 0.000 1.115 202 Q HN 0.328 nan 8.270 nan 0.000 0.507 203 V N -0.959 118.818 119.914 -0.228 0.000 2.644 203 V HA 0.139 4.259 4.120 0.000 0.000 0.305 203 V C 1.014 176.823 176.094 -0.474 0.000 1.053 203 V CA 0.514 62.545 62.300 -0.447 0.000 1.186 203 V CB 0.639 31.954 31.823 -0.848 0.000 0.895 203 V HN 0.210 nan 8.190 nan 0.000 0.490 204 A N 4.487 127.074 122.820 -0.388 0.000 2.251 204 A HA 0.424 4.744 4.320 0.000 0.000 0.209 204 A C 0.651 178.183 177.584 -0.087 0.000 1.187 204 A CA -0.022 51.902 52.037 -0.188 0.000 0.823 204 A CB -0.619 18.331 19.000 -0.083 0.000 0.846 204 A HN 1.097 nan 8.150 nan 0.000 0.486 205 F N -0.170 119.825 119.950 0.076 0.000 2.370 205 F HA 0.632 5.159 4.527 0.000 0.000 0.319 205 F C 0.551 176.395 175.800 0.074 0.000 1.129 205 F CA -1.033 57.015 58.000 0.079 0.000 1.109 205 F CB -0.365 38.685 39.000 0.083 0.000 1.262 205 F HN -0.024 nan 8.300 nan 0.000 0.534 206 T N -0.820 113.955 114.554 0.368 0.000 2.934 206 T HA 0.351 4.701 4.350 0.000 0.000 0.283 206 T C 0.993 175.831 174.700 0.229 0.000 1.005 206 T CA -0.641 61.601 62.100 0.236 0.000 1.041 206 T CB 1.491 70.445 68.868 0.145 0.000 1.042 206 T HN 0.890 nan 8.240 nan 0.000 0.505 207 I N 0.420 121.088 120.570 0.165 0.000 2.454 207 I HA -0.117 4.054 4.170 0.000 0.000 0.254 207 I C 2.529 178.684 176.117 0.064 0.000 1.156 207 I CA 1.399 62.774 61.300 0.125 0.000 1.433 207 I CB -0.194 37.865 38.000 0.098 0.000 1.082 207 I HN 0.829 nan 8.210 nan 0.000 0.432 208 K N 0.724 121.152 120.400 0.047 0.000 2.002 208 K HA -0.249 4.072 4.320 0.000 0.000 0.209 208 K C 1.892 178.489 176.600 -0.006 0.000 1.048 208 K CA 1.974 58.266 56.287 0.008 0.000 0.930 208 K CB -0.035 32.455 32.500 -0.016 0.000 0.714 208 K HN 0.215 nan 8.250 nan 0.000 0.438 209 E N 0.788 120.992 120.200 0.007 0.000 2.150 209 E HA -0.163 4.187 4.350 0.000 0.000 0.193 209 E C 1.701 178.206 176.600 -0.159 0.000 0.985 209 E CA 0.710 57.098 56.400 -0.020 0.000 0.814 209 E CB -0.099 29.621 29.700 0.035 0.000 0.752 209 E HN 0.239 nan 8.360 nan 0.000 0.466 210 L N 0.596 121.718 121.223 -0.169 0.000 2.044 210 L HA -0.063 4.277 4.340 0.000 0.000 0.205 210 L C 2.269 179.035 176.870 -0.174 0.000 1.075 210 L CA 1.710 56.379 54.840 -0.285 0.000 0.747 210 L CB -0.250 41.731 42.059 -0.131 0.000 0.903 210 L HN -0.052 nan 8.230 nan 0.000 0.435 211 R N -0.333 120.128 120.500 -0.064 0.000 2.091 211 R HA -0.225 4.115 4.340 0.000 0.000 0.238 211 R C 2.207 178.469 176.300 -0.063 0.000 1.136 211 R CA 2.067 58.150 56.100 -0.028 0.000 0.959 211 R CB -0.268 30.032 30.300 -0.001 0.000 0.856 211 R HN 0.521 nan 8.270 nan 0.000 0.437 212 E N -0.297 119.852 120.200 -0.085 0.000 2.118 212 E HA -0.239 4.111 4.350 0.000 0.000 0.195 212 E C 1.853 178.345 176.600 -0.180 0.000 0.992 212 E CA 1.592 57.939 56.400 -0.088 0.000 0.804 212 E CB -0.035 29.640 29.700 -0.042 0.000 0.741 212 E HN 0.215 nan 8.360 nan 0.000 0.458 213 M N 0.112 119.511 119.600 -0.336 0.000 2.156 213 M HA -0.052 4.428 4.480 0.000 0.000 0.264 213 M C 1.803 177.832 176.300 -0.451 0.000 1.067 213 M CA 1.331 56.235 55.300 -0.659 0.000 1.131 213 M CB 0.054 31.931 32.600 -1.204 0.000 1.368 213 M HN 0.055 nan 8.290 nan 0.000 0.416 214 I N -0.547 119.941 120.570 -0.137 0.000 2.454 214 I HA -0.285 3.885 4.170 0.000 0.000 0.254 214 I C 1.460 177.647 176.117 0.116 0.000 1.156 214 I CA 1.200 62.616 61.300 0.194 0.000 1.433 214 I CB -0.396 37.712 38.000 0.181 0.000 1.082 214 I HN 0.410 nan 8.210 nan 0.000 0.432 215 Q N 0.200 120.013 119.800 0.022 0.000 2.282 215 Q HA 0.166 4.506 4.340 0.000 0.000 0.206 215 Q C 0.195 176.201 176.000 0.010 0.000 0.878 215 Q CA -0.406 55.412 55.803 0.024 0.000 0.944 215 Q CB 0.565 29.310 28.738 0.012 0.000 1.100 215 Q HN 0.253 nan 8.270 nan 0.000 0.509 216 L N 3.277 124.485 121.223 -0.025 0.000 2.584 216 L HA 0.079 4.419 4.340 0.000 0.000 0.272 216 L C -2.358 174.519 176.870 0.012 0.000 1.195 216 L CA -1.421 53.399 54.840 -0.034 0.000 0.920 216 L CB 0.230 42.223 42.059 -0.109 0.000 1.173 216 L HN -0.114 nan 8.230 nan 0.000 0.489 217 P HA 0.169 nan 4.420 nan 0.000 0.264 217 P C 0.610 177.913 177.300 0.005 0.000 1.193 217 P CA 1.026 64.154 63.100 0.047 0.000 0.763 217 P CB 0.570 32.352 31.700 0.138 0.000 0.810 218 G N 1.595 110.404 108.800 0.015 0.000 2.179 218 G HA2 -0.217 3.743 3.960 0.000 0.000 0.260 218 G HA3 -0.217 3.743 3.960 0.000 0.000 0.260 218 G C 0.339 175.246 174.900 0.012 0.000 0.977 218 G CA 0.485 45.585 45.100 0.001 0.000 0.641 218 G HN 0.831 nan 8.290 nan 0.000 0.533 219 T N -2.253 112.325 114.554 0.039 0.000 2.940 219 T HA 0.821 5.171 4.350 0.000 0.000 0.288 219 T C -0.201 174.557 174.700 0.097 0.000 1.045 219 T CA -0.068 62.081 62.100 0.081 0.000 1.018 219 T CB 2.263 71.220 68.868 0.149 0.000 1.151 219 T HN 1.188 nan 8.240 nan 0.000 0.529 220 R N -0.091 120.457 120.500 0.081 0.000 2.740 220 R HA 0.711 5.051 4.340 0.000 0.000 0.273 220 R C -3.219 172.986 176.300 -0.158 0.000 0.998 220 R CA -2.134 53.971 56.100 0.007 0.000 0.900 220 R CB 1.756 32.031 30.300 -0.042 0.000 1.223 220 R HN 0.440 nan 8.270 nan 0.000 0.466 221 P HA 0.280 nan 4.420 nan 0.000 0.286 221 P C -0.849 176.094 177.300 -0.595 0.000 1.261 221 P CA -0.671 61.959 63.100 -0.782 0.000 0.821 221 P CB 1.366 32.770 31.700 -0.493 0.000 1.013 222 M N 3.377 122.524 119.600 -0.755 0.000 2.065 222 M HA 0.367 4.847 4.480 0.000 0.000 0.308 222 M C -0.623 175.553 176.300 -0.207 0.000 0.939 222 M CA -0.172 54.898 55.300 -0.383 0.000 0.890 222 M CB 0.648 32.993 32.600 -0.425 0.000 1.383 222 M HN 0.139 nan 8.290 nan 0.000 0.381 223 L N 1.181 122.338 121.223 -0.109 0.000 2.346 223 L HA 0.531 4.871 4.340 0.000 0.000 0.276 223 L C -0.234 176.730 176.870 0.157 0.000 1.006 223 L CA -0.812 54.075 54.840 0.078 0.000 0.817 223 L CB 1.816 43.883 42.059 0.013 0.000 1.272 223 L HN 0.376 nan 8.230 nan 0.000 0.421 224 D N 3.959 124.542 120.400 0.304 0.000 2.313 224 D HA 0.225 4.865 4.640 0.000 0.000 0.239 224 D C -1.808 174.694 176.300 0.336 0.000 1.142 224 D CA -1.981 52.177 54.000 0.264 0.000 0.847 224 D CB 2.072 43.024 40.800 0.254 0.000 1.082 224 D HN 0.176 nan 8.370 nan 0.000 0.480 225 P HA -0.095 nan 4.420 nan 0.000 0.219 225 P C 0.837 178.295 177.300 0.263 0.000 1.146 225 P CA 1.034 64.252 63.100 0.197 0.000 0.808 225 P CB 0.257 32.010 31.700 0.089 0.000 0.779 226 A N -0.328 122.615 122.820 0.205 0.000 2.067 226 A HA -0.160 4.160 4.320 0.000 0.000 0.219 226 A C 1.686 179.355 177.584 0.142 0.000 1.158 226 A CA 1.492 53.618 52.037 0.148 0.000 0.661 226 A CB -0.985 18.077 19.000 0.104 0.000 0.801 226 A HN 0.099 nan 8.150 nan 0.000 0.452 227 D N -1.366 119.154 120.400 0.200 0.000 2.349 227 D HA 0.061 4.701 4.640 0.000 0.000 0.224 227 D C -0.126 175.940 176.300 -0.390 0.000 1.029 227 D CA 0.596 54.566 54.000 -0.051 0.000 0.879 227 D CB -0.036 40.741 40.800 -0.039 0.000 0.906 227 D HN 0.521 nan 8.370 nan 0.000 0.528 228 F N 0.379 120.330 119.950 0.002 0.000 2.764 228 F HA 0.270 4.797 4.527 0.000 0.000 0.310 228 F C 0.560 176.358 175.800 -0.002 0.000 1.124 228 F CA -0.472 57.518 58.000 -0.016 0.000 1.252 228 F CB 0.125 39.126 39.000 0.002 0.000 1.010 228 F HN -0.293 nan 8.300 nan 0.000 0.518 229 L N 0.325 121.615 121.223 0.111 0.000 2.397 229 L HA 0.428 4.768 4.340 0.000 0.000 0.271 229 L C 1.357 178.249 176.870 0.036 0.000 1.148 229 L CA -0.266 54.617 54.840 0.072 0.000 0.825 229 L CB 0.436 42.525 42.059 0.049 0.000 1.117 229 L HN 0.447 nan 8.230 nan 0.000 0.456 230 G N 3.182 112.003 108.800 0.035 0.000 2.390 230 G HA2 -0.289 3.671 3.960 0.000 0.000 0.299 230 G HA3 -0.289 3.671 3.960 0.000 0.000 0.299 230 G C 0.303 175.213 174.900 0.017 0.000 1.002 230 G CA 0.862 45.973 45.100 0.019 0.000 0.979 230 G HN 0.677 nan 8.290 nan 0.000 0.513 231 L N -1.976 119.268 121.223 0.036 0.000 3.174 231 L HA 0.276 4.616 4.340 0.000 0.000 0.283 231 L C 2.263 179.165 176.870 0.054 0.000 1.187 231 L CA 0.287 55.146 54.840 0.032 0.000 1.018 231 L CB 0.036 42.109 42.059 0.023 0.000 1.433 231 L HN 0.340 nan 8.230 nan 0.000 0.593 232 Q N 0.042 119.877 119.800 0.058 0.000 2.020 232 Q HA -0.285 4.056 4.340 0.000 0.000 0.202 232 Q C 1.210 177.233 176.000 0.038 0.000 0.982 232 Q CA 2.360 58.195 55.803 0.054 0.000 0.838 232 Q CB -0.085 28.680 28.738 0.046 0.000 0.899 232 Q HN 0.479 nan 8.270 nan 0.000 0.423 233 D N 0.028 120.444 120.400 0.028 0.000 2.218 233 D HA -0.130 4.510 4.640 0.000 0.000 0.204 233 D C 1.676 177.987 176.300 0.019 0.000 0.976 233 D CA 0.905 54.917 54.000 0.021 0.000 0.853 233 D CB 0.195 41.004 40.800 0.015 0.000 0.939 233 D HN 0.093 nan 8.370 nan 0.000 0.481 234 R N -0.243 120.268 120.500 0.019 0.000 2.148 234 R HA -0.002 4.338 4.340 0.000 0.000 0.223 234 R C 1.811 178.123 176.300 0.019 0.000 1.088 234 R CA 0.459 56.567 56.100 0.013 0.000 0.985 234 R CB 0.047 30.351 30.300 0.006 0.000 0.880 234 R HN 0.304 nan 8.270 nan 0.000 0.451 235 I N 1.140 121.729 120.570 0.031 0.000 2.333 235 I HA -0.154 4.016 4.170 0.000 0.000 0.246 235 I C 2.173 178.311 176.117 0.034 0.000 1.106 235 I CA 1.185 62.510 61.300 0.040 0.000 1.411 235 I CB -0.752 37.285 38.000 0.062 0.000 1.082 235 I HN -0.017 nan 8.210 nan 0.000 0.420 236 K N 1.458 121.876 120.400 0.030 0.000 2.280 236 K HA -0.156 4.164 4.320 0.000 0.000 0.202 236 K C 1.617 178.230 176.600 0.020 0.000 1.047 236 K CA 1.352 57.654 56.287 0.025 0.000 0.942 236 K CB 0.040 32.554 32.500 0.022 0.000 0.739 236 K HN 0.172 nan 8.250 nan 0.000 0.457 237 E N -0.149 120.062 120.200 0.018 0.000 2.460 237 E HA 0.201 4.551 4.350 0.000 0.000 0.200 237 E C 0.287 176.895 176.600 0.013 0.000 1.011 237 E CA 0.391 56.799 56.400 0.014 0.000 0.912 237 E CB 0.153 29.859 29.700 0.011 0.000 0.953 237 E HN 0.323 nan 8.360 nan 0.000 0.494 238 A N 1.577 124.407 122.820 0.016 0.000 2.521 238 A HA 0.356 4.677 4.320 0.000 0.000 0.237 238 A C 0.618 178.211 177.584 0.015 0.000 1.087 238 A CA 0.472 52.517 52.037 0.015 0.000 0.777 238 A CB 0.152 19.164 19.000 0.019 0.000 1.035 238 A HN 0.164 nan 8.150 nan 0.000 0.510 239 A N 0.144 122.972 122.820 0.013 0.000 2.351 239 A HA 0.426 4.746 4.320 0.000 0.000 0.257 239 A C 1.458 179.053 177.584 0.019 0.000 1.087 239 A CA -0.101 51.945 52.037 0.014 0.000 0.798 239 A CB 0.102 19.108 19.000 0.011 0.000 1.033 239 A HN 0.917 nan 8.150 nan 0.000 0.488 240 R N 0.745 121.256 120.500 0.019 0.000 2.159 240 R HA -0.206 4.134 4.340 0.000 0.000 0.249 240 R C -0.741 175.576 176.300 0.027 0.000 1.136 240 R CA 2.612 58.725 56.100 0.022 0.000 0.951 240 R CB -1.708 28.603 30.300 0.020 0.000 0.876 240 R HN 0.625 nan 8.270 nan 0.000 0.440 241 P HA -0.145 nan 4.420 nan 0.000 0.216 241 P C 0.955 178.278 177.300 0.037 0.000 1.150 241 P CA 1.265 64.383 63.100 0.031 0.000 0.837 241 P CB 0.024 31.740 31.700 0.026 0.000 0.786 242 R N -0.138 120.380 120.500 0.030 0.000 2.080 242 R HA 0.032 4.373 4.340 0.000 0.000 0.222 242 R C 2.190 178.516 176.300 0.044 0.000 1.107 242 R CA 1.352 57.471 56.100 0.032 0.000 0.980 242 R CB -0.794 29.515 30.300 0.016 0.000 0.879 242 R HN -0.050 nan 8.270 nan 0.000 0.439 243 K N 0.264 120.688 120.400 0.039 0.000 2.000 243 K HA -0.217 4.103 4.320 0.000 0.000 0.218 243 K C 2.011 178.644 176.600 0.055 0.000 1.053 243 K CA 2.109 58.422 56.287 0.043 0.000 0.946 243 K CB -0.121 32.399 32.500 0.034 0.000 0.723 243 K HN 0.077 nan 8.250 nan 0.000 0.446 244 R N 0.285 120.816 120.500 0.053 0.000 2.105 244 R HA -0.172 4.169 4.340 0.000 0.000 0.239 244 R C 2.431 178.779 176.300 0.081 0.000 1.135 244 R CA 1.398 57.533 56.100 0.058 0.000 0.967 244 R CB -0.491 29.839 30.300 0.050 0.000 0.861 244 R HN 0.261 nan 8.270 nan 0.000 0.442 245 L N 0.522 121.802 121.223 0.095 0.000 1.994 245 L HA -0.158 4.183 4.340 0.000 0.000 0.208 245 L C 2.114 179.081 176.870 0.162 0.000 1.071 245 L CA 1.836 56.760 54.840 0.140 0.000 0.745 245 L CB -0.327 41.818 42.059 0.144 0.000 0.892 245 L HN 0.083 nan 8.230 nan 0.000 0.431 246 M N -0.499 119.180 119.600 0.133 0.000 2.159 246 M HA -0.174 4.307 4.480 0.000 0.000 0.263 246 M C 2.172 178.555 176.300 0.138 0.000 1.063 246 M CA 1.526 56.917 55.300 0.151 0.000 1.110 246 M CB -1.240 31.425 32.600 0.109 0.000 1.374 246 M HN 0.400 nan 8.290 nan 0.000 0.411 247 E N -0.066 120.192 120.200 0.097 0.000 2.204 247 E HA -0.182 4.168 4.350 0.000 0.000 0.194 247 E C 1.959 178.596 176.600 0.061 0.000 0.989 247 E CA 0.724 57.165 56.400 0.069 0.000 0.824 247 E CB -0.190 29.542 29.700 0.053 0.000 0.756 247 E HN 0.241 nan 8.360 nan 0.000 0.477 248 L N 0.695 121.969 121.223 0.085 0.000 2.109 248 L HA -0.081 4.259 4.340 0.000 0.000 0.207 248 L C 1.936 178.857 176.870 0.085 0.000 1.086 248 L CA 1.301 56.191 54.840 0.082 0.000 0.760 248 L CB -0.115 42.006 42.059 0.104 0.000 0.910 248 L HN 0.096 nan 8.230 nan 0.000 0.437 249 L N -1.477 119.826 121.223 0.133 0.000 2.044 249 L HA -0.200 4.140 4.340 0.000 0.000 0.205 249 L C 2.476 179.241 176.870 -0.174 0.000 1.075 249 L CA 1.176 56.092 54.840 0.127 0.000 0.747 249 L CB -0.434 41.851 42.059 0.377 0.000 0.903 249 L HN 0.294 nan 8.230 nan 0.000 0.435 250 L N -0.317 120.830 121.223 -0.127 0.000 2.017 250 L HA -0.271 4.069 4.340 0.000 0.000 0.208 250 L C 2.909 179.651 176.870 -0.214 0.000 1.073 250 L CA 1.351 56.032 54.840 -0.264 0.000 0.745 250 L CB -0.244 41.810 42.059 -0.008 0.000 0.894 250 L HN 0.255 nan 8.230 nan 0.000 0.432 251 R N -0.906 119.538 120.500 -0.093 0.000 2.080 251 R HA -0.182 4.158 4.340 0.000 0.000 0.236 251 R C 2.095 178.345 176.300 -0.083 0.000 1.137 251 R CA 2.305 58.369 56.100 -0.061 0.000 0.943 251 R CB -0.357 29.934 30.300 -0.015 0.000 0.846 251 R HN 0.344 nan 8.270 nan 0.000 0.431 252 T N 0.254 114.762 114.554 -0.077 0.000 2.788 252 T HA -0.104 4.246 4.350 0.000 0.000 0.268 252 T C 1.683 176.300 174.700 -0.138 0.000 1.044 252 T CA 1.329 63.390 62.100 -0.066 0.000 1.139 252 T CB -0.154 68.714 68.868 0.001 0.000 0.867 252 T HN 0.429 nan 8.240 nan 0.000 0.454 253 A N 1.272 123.925 122.820 -0.279 0.000 2.072 253 A HA 0.054 4.374 4.320 0.000 0.000 0.216 253 A C 2.386 179.829 177.584 -0.235 0.000 1.156 253 A CA 1.537 53.360 52.037 -0.357 0.000 0.701 253 A CB -0.399 18.046 19.000 -0.925 0.000 0.816 253 A HN 0.592 nan 8.150 nan 0.000 0.458 254 T N -3.743 110.693 114.554 -0.197 0.000 2.975 254 T HA 0.268 4.618 4.350 0.000 0.000 0.261 254 T C 0.231 174.898 174.700 -0.056 0.000 0.984 254 T CA -0.159 61.881 62.100 -0.099 0.000 0.911 254 T CB 0.093 68.915 68.868 -0.078 0.000 1.127 254 T HN 0.349 nan 8.240 nan 0.000 0.514 255 E N 1.989 122.154 120.200 -0.058 0.000 2.197 255 E HA 0.319 4.670 4.350 0.000 0.000 0.281 255 E C -0.549 176.036 176.600 -0.026 0.000 0.995 255 E CA -0.683 55.697 56.400 -0.032 0.000 0.808 255 E CB 1.579 31.264 29.700 -0.026 0.000 1.093 255 E HN 0.251 nan 8.360 nan 0.000 0.394 256 K N 5.161 125.551 120.400 -0.016 0.000 2.412 256 K HA 0.101 4.421 4.320 0.000 0.000 0.284 256 K C -1.903 174.692 176.600 -0.009 0.000 1.046 256 K CA -1.201 55.079 56.287 -0.012 0.000 0.999 256 K CB 0.338 32.834 32.500 -0.007 0.000 0.941 256 K HN 0.293 nan 8.250 nan 0.000 0.474 257 P HA 0.066 nan 4.420 nan 0.000 0.272 257 P C 0.052 177.351 177.300 -0.001 0.000 1.223 257 P CA -0.407 62.691 63.100 -0.004 0.000 0.784 257 P CB 0.709 32.407 31.700 -0.003 0.000 0.923 258 G N 0.484 109.285 108.800 0.002 0.000 2.684 258 G HA2 0.140 4.100 3.960 0.000 0.000 0.255 258 G HA3 0.140 4.100 3.960 0.000 0.000 0.255 258 G C 1.245 176.147 174.900 0.003 0.000 1.219 258 G CA -0.587 44.515 45.100 0.003 0.000 0.901 258 G HN 0.288 nan 8.290 nan 0.000 0.548 259 V N -0.065 119.850 119.914 0.003 0.000 2.324 259 V HA -0.230 3.890 4.120 0.000 0.000 0.250 259 V C 2.630 178.727 176.094 0.004 0.000 1.060 259 V CA 2.580 64.882 62.300 0.003 0.000 1.042 259 V CB -0.619 31.206 31.823 0.003 0.000 0.650 259 V HN 0.938 nan 8.190 nan 0.000 0.450 260 E N -0.157 120.046 120.200 0.005 0.000 2.028 260 E HA -0.283 4.067 4.350 0.000 0.000 0.191 260 E C 2.250 178.855 176.600 0.008 0.000 0.988 260 E CA 1.482 57.886 56.400 0.007 0.000 0.799 260 E CB -0.073 29.632 29.700 0.007 0.000 0.755 260 E HN 0.597 nan 8.360 nan 0.000 0.447 261 E N 0.753 120.958 120.200 0.009 0.000 2.058 261 E HA -0.184 4.166 4.350 0.000 0.000 0.194 261 E C 1.748 178.354 176.600 0.008 0.000 0.997 261 E CA 1.746 58.153 56.400 0.011 0.000 0.801 261 E CB -0.488 29.219 29.700 0.011 0.000 0.746 261 E HN 0.321 nan 8.360 nan 0.000 0.450 262 A N 0.934 123.757 122.820 0.004 0.000 1.883 262 A HA -0.117 4.203 4.320 0.000 0.000 0.217 262 A C 2.499 180.085 177.584 0.003 0.000 1.186 262 A CA 2.588 54.626 52.037 0.002 0.000 0.624 262 A CB -1.219 17.781 19.000 0.000 0.000 0.822 262 A HN 0.419 nan 8.150 nan 0.000 0.444 263 A N -0.584 122.239 122.820 0.005 0.000 1.940 263 A HA -0.198 4.122 4.320 0.000 0.000 0.219 263 A C 2.256 179.845 177.584 0.007 0.000 1.176 263 A CA 1.823 53.863 52.037 0.005 0.000 0.631 263 A CB -0.516 18.488 19.000 0.006 0.000 0.814 263 A HN 0.571 nan 8.150 nan 0.000 0.446 264 R N -0.454 120.052 120.500 0.010 0.000 2.073 264 R HA -0.130 4.210 4.340 0.000 0.000 0.234 264 R C 2.445 178.752 176.300 0.012 0.000 1.134 264 R CA 1.686 57.794 56.100 0.014 0.000 0.952 264 R CB -0.235 30.076 30.300 0.019 0.000 0.850 264 R HN 0.551 nan 8.270 nan 0.000 0.433 265 R N -0.273 120.232 120.500 0.009 0.000 2.092 265 R HA -0.050 4.290 4.340 0.000 0.000 0.231 265 R C 2.295 178.594 176.300 -0.002 0.000 1.119 265 R CA 1.225 57.326 56.100 0.003 0.000 0.970 265 R CB -0.321 29.976 30.300 -0.006 0.000 0.864 265 R HN 0.240 nan 8.270 nan 0.000 0.440 266 A N 0.439 123.258 122.820 -0.000 0.000 2.019 266 A HA -0.160 4.161 4.320 0.000 0.000 0.219 266 A C 2.144 179.729 177.584 0.001 0.000 1.164 266 A CA 1.798 53.834 52.037 -0.000 0.000 0.644 266 A CB -0.358 18.643 19.000 0.001 0.000 0.805 266 A HN 0.308 nan 8.150 nan 0.000 0.449 267 S N -0.623 115.079 115.700 0.004 0.000 2.478 267 S HA 0.378 4.848 4.470 0.000 0.000 0.222 267 S C 1.121 175.723 174.600 0.004 0.000 1.008 267 S CA 0.606 58.809 58.200 0.005 0.000 0.928 267 S CB -0.656 62.548 63.200 0.008 0.000 0.781 267 S HN 0.853 nan 8.310 nan 0.000 0.518 268 A N 1.428 124.251 122.820 0.004 0.000 2.561 268 A HA 0.329 4.649 4.320 0.000 0.000 0.234 268 A C 1.185 178.768 177.584 -0.001 0.000 1.055 268 A CA 0.549 52.588 52.037 0.004 0.000 0.756 268 A CB 0.082 19.086 19.000 0.006 0.000 0.986 268 A HN 0.737 nan 8.150 nan 0.000 0.505 269 S N 1.547 117.246 115.700 -0.003 0.000 2.526 269 S HA 0.264 4.734 4.470 0.000 0.000 0.220 269 S C 0.638 175.233 174.600 -0.008 0.000 1.017 269 S CA -0.312 57.885 58.200 -0.005 0.000 0.930 269 S CB 0.235 63.432 63.200 -0.005 0.000 0.856 269 S HN 0.734 nan 8.310 nan 0.000 0.497 270 R N 0.434 120.929 120.500 -0.007 0.000 2.854 270 R HA 0.861 5.201 4.340 0.000 0.000 0.271 270 R C -1.374 174.920 176.300 -0.010 0.000 0.994 270 R CA -0.532 55.562 56.100 -0.009 0.000 0.945 270 R CB 2.187 32.484 30.300 -0.004 0.000 1.194 270 R HN 0.259 nan 8.270 nan 0.000 0.476 271 A N 1.784 124.579 122.820 -0.041 0.000 2.549 271 A HA 0.671 4.991 4.320 0.000 0.000 0.297 271 A C -1.866 175.633 177.584 -0.142 0.000 1.061 271 A CA -0.805 51.172 52.037 -0.100 0.000 0.690 271 A CB 1.547 20.428 19.000 -0.199 0.000 1.287 271 A HN 0.741 nan 8.150 nan 0.000 0.402 272 W N 1.488 122.596 121.300 -0.319 0.000 2.844 272 W HA 0.811 5.471 4.660 0.000 0.000 0.340 272 W C -0.366 175.867 176.519 -0.478 0.000 1.093 272 W CA -0.857 56.259 57.345 -0.382 0.000 1.212 272 W CB 1.221 30.547 29.460 -0.224 0.000 1.422 272 W HN 1.208 nan 8.180 nan 0.000 0.515 273 G N 1.502 109.906 108.800 -0.659 0.000 2.725 273 G HA2 0.660 4.620 3.960 0.000 0.000 0.288 273 G HA3 0.660 4.620 3.960 0.000 0.000 0.288 273 G C -2.621 172.264 174.900 -0.025 0.000 1.399 273 G CA -1.063 43.612 45.100 -0.707 0.000 0.859 273 G HN 0.344 nan 8.290 nan 0.000 0.479 274 L N 0.776 122.067 121.223 0.114 0.000 2.356 274 L HA 0.662 5.003 4.340 0.000 0.000 0.277 274 L C -0.331 176.441 176.870 -0.165 0.000 0.996 274 L CA -0.902 53.948 54.840 0.016 0.000 0.822 274 L CB 1.802 43.868 42.059 0.012 0.000 1.256 274 L HN 0.359 nan 8.230 nan 0.000 0.413 275 R N 3.079 123.392 120.500 -0.312 0.000 2.514 275 R HA 0.652 4.993 4.340 0.000 0.000 0.301 275 R C -1.236 174.705 176.300 -0.597 0.000 0.962 275 R CA -0.524 55.380 56.100 -0.327 0.000 0.882 275 R CB 1.602 31.801 30.300 -0.167 0.000 1.143 275 R HN 0.278 nan 8.270 nan 0.000 0.452 276 F N 1.107 121.070 119.950 0.022 0.000 2.579 276 F HA 0.420 4.947 4.527 0.000 0.000 0.324 276 F C 0.361 176.171 175.800 0.016 0.000 1.058 276 F CA -1.190 56.755 58.000 -0.091 0.000 0.944 276 F CB 0.719 39.623 39.000 -0.160 0.000 1.245 276 F HN 0.413 nan 8.300 nan 0.000 0.477 277 F N 1.060 121.114 119.950 0.173 0.000 2.983 277 F HA -0.217 4.310 4.527 0.000 0.000 0.288 277 F C -0.001 175.816 175.800 0.029 0.000 0.980 277 F CA 0.104 58.147 58.000 0.072 0.000 0.965 277 F CB -1.078 37.953 39.000 0.051 0.000 0.967 277 F HN 0.287 nan 8.300 nan 0.000 0.800 278 R N 0.432 120.992 120.500 0.101 0.000 2.515 278 R HA 0.565 4.905 4.340 0.000 0.000 0.291 278 R C -0.450 175.861 176.300 0.019 0.000 1.046 278 R CA -0.425 55.705 56.100 0.050 0.000 0.914 278 R CB 1.971 32.276 30.300 0.008 0.000 1.191 278 R HN 0.157 nan 8.270 nan 0.000 0.435 279 S N 2.081 117.793 115.700 0.020 0.000 2.472 279 S HA 0.603 5.073 4.470 0.000 0.000 0.303 279 S C -2.346 172.254 174.600 0.000 0.000 1.099 279 S CA -1.692 56.512 58.200 0.008 0.000 1.077 279 S CB 2.041 65.249 63.200 0.014 0.000 1.031 279 S HN 0.308 nan 8.310 nan 0.000 0.487 280 P HA 0.074 nan 4.420 nan 0.000 0.265 280 P C -0.298 176.998 177.300 -0.007 0.000 1.222 280 P CA 0.175 63.270 63.100 -0.008 0.000 0.767 280 P CB 0.888 32.584 31.700 -0.007 0.000 0.801 281 Q N 2.799 122.593 119.800 -0.010 0.000 2.324 281 Q HA 0.022 4.363 4.340 0.000 0.000 0.207 281 Q C 0.459 176.452 176.000 -0.011 0.000 0.928 281 Q CA 0.619 56.417 55.803 -0.009 0.000 0.890 281 Q CB 0.651 29.384 28.738 -0.009 0.000 1.001 281 Q HN 0.611 nan 8.270 nan 0.000 0.517 282 Q N -0.635 119.156 119.800 -0.015 0.000 2.617 282 Q HA 0.271 4.611 4.340 0.000 0.000 0.270 282 Q C -1.944 174.043 176.000 -0.022 0.000 0.967 282 Q CA -0.486 55.307 55.803 -0.017 0.000 0.887 282 Q CB 1.688 30.416 28.738 -0.016 0.000 1.516 282 Q HN 0.027 nan 8.270 nan 0.000 0.395 283 V N 4.131 124.030 119.914 -0.025 0.000 2.406 283 V HA 0.315 4.435 4.120 0.000 0.000 0.272 283 V C 0.084 176.160 176.094 -0.029 0.000 1.043 283 V CA -0.433 61.848 62.300 -0.031 0.000 0.915 283 V CB 0.825 32.623 31.823 -0.041 0.000 0.988 283 V HN 0.656 nan 8.190 nan 0.000 0.466 284 L N 8.954 130.161 121.223 -0.027 0.000 2.319 284 L HA 0.369 4.709 4.340 0.000 0.000 0.280 284 L C -1.836 175.019 176.870 -0.025 0.000 1.099 284 L CA -1.429 53.397 54.840 -0.024 0.000 0.828 284 L CB 1.067 43.114 42.059 -0.021 0.000 1.150 284 L HN 0.433 nan 8.230 nan 0.000 0.442 285 P HA 0.138 nan 4.420 nan 0.000 0.276 285 P C -0.599 176.690 177.300 -0.018 0.000 1.252 285 P CA -0.533 62.554 63.100 -0.023 0.000 0.802 285 P CB 1.231 32.918 31.700 -0.022 0.000 1.035 286 S N 0.219 115.909 115.700 -0.017 0.000 2.655 286 S HA 0.283 4.753 4.470 0.000 0.000 0.265 286 S C -1.648 172.946 174.600 -0.009 0.000 1.240 286 S CA -1.016 57.177 58.200 -0.011 0.000 0.986 286 S CB -0.611 62.584 63.200 -0.010 0.000 0.985 286 S HN 0.261 nan 8.310 nan 0.000 0.562 287 P HA -0.163 nan 4.420 nan 0.000 0.216 287 P C 0.547 177.844 177.300 -0.006 0.000 1.157 287 P CA 1.824 64.921 63.100 -0.005 0.000 0.880 287 P CB -0.323 31.375 31.700 -0.003 0.000 0.791 288 D N -2.458 117.938 120.400 -0.005 0.000 2.349 288 D HA 0.120 4.760 4.640 0.000 0.000 0.224 288 D C 1.299 177.594 176.300 -0.008 0.000 1.029 288 D CA 0.595 54.591 54.000 -0.005 0.000 0.879 288 D CB -1.173 39.625 40.800 -0.004 0.000 0.906 288 D HN 0.178 nan 8.370 nan 0.000 0.528 289 G N 0.801 109.595 108.800 -0.011 0.000 2.212 289 G HA2 -0.439 3.521 3.960 0.000 0.000 0.267 289 G HA3 -0.439 3.521 3.960 0.000 0.000 0.267 289 G C 1.138 176.027 174.900 -0.017 0.000 1.002 289 G CA 0.603 45.695 45.100 -0.014 0.000 0.729 289 G HN 0.468 nan 8.290 nan 0.000 0.517 290 R N -0.420 120.071 120.500 -0.015 0.000 2.210 290 R HA 0.151 4.491 4.340 0.000 0.000 0.203 290 R C 1.520 177.805 176.300 -0.025 0.000 1.010 290 R CA 1.227 57.316 56.100 -0.017 0.000 1.008 290 R CB 0.147 30.441 30.300 -0.010 0.000 0.923 290 R HN 0.717 nan 8.270 nan 0.000 0.469 291 R N -0.851 119.633 120.500 -0.027 0.000 2.810 291 R HA 0.649 4.989 4.340 0.000 0.000 0.266 291 R C -1.460 174.816 176.300 -0.041 0.000 1.061 291 R CA -0.932 55.145 56.100 -0.038 0.000 0.943 291 R CB 0.928 31.212 30.300 -0.027 0.000 1.237 291 R HN -0.111 nan 8.270 nan 0.000 0.459 292 A N 0.030 122.818 122.820 -0.052 0.000 2.328 292 A HA 0.610 4.930 4.320 0.000 0.000 0.284 292 A C 0.403 177.970 177.584 -0.028 0.000 1.160 292 A CA -0.014 51.995 52.037 -0.047 0.000 0.818 292 A CB 0.822 19.781 19.000 -0.067 0.000 1.087 292 A HN 0.874 nan 8.150 nan 0.000 0.504 293 A N 1.837 124.644 122.820 -0.021 0.000 2.419 293 A HA 0.632 4.952 4.320 0.000 0.000 0.233 293 A C 0.835 178.414 177.584 -0.008 0.000 1.217 293 A CA 0.818 52.848 52.037 -0.011 0.000 0.944 293 A CB 0.026 19.020 19.000 -0.009 0.000 1.025 293 A HN 2.210 nan 8.150 nan 0.000 0.524 294 G N -1.026 107.766 108.800 -0.014 0.000 2.322 294 G HA2 0.451 4.411 3.960 0.000 0.000 0.295 294 G HA3 0.451 4.411 3.960 0.000 0.000 0.295 294 G C -1.785 173.102 174.900 -0.022 0.000 1.369 294 G CA -0.182 44.910 45.100 -0.015 0.000 0.821 294 G HN 0.561 nan 8.290 nan 0.000 0.536 295 I N -0.137 120.418 120.570 -0.025 0.000 2.619 295 I HA 0.671 4.841 4.170 0.000 0.000 0.292 295 I C -0.154 175.944 176.117 -0.033 0.000 1.100 295 I CA -1.168 60.116 61.300 -0.027 0.000 1.043 295 I CB 1.918 39.905 38.000 -0.023 0.000 1.239 295 I HN 0.604 nan 8.210 nan 0.000 0.420 296 R N 7.844 128.327 120.500 -0.028 0.000 2.210 296 R HA 0.532 4.872 4.340 0.000 0.000 0.338 296 R C -1.732 174.552 176.300 -0.026 0.000 1.062 296 R CA -0.341 55.742 56.100 -0.028 0.000 0.902 296 R CB 0.535 30.821 30.300 -0.023 0.000 1.050 296 R HN 0.628 nan 8.270 nan 0.000 0.461 297 L N 4.056 125.260 121.223 -0.031 0.000 2.295 297 L HA 0.543 4.883 4.340 0.000 0.000 0.285 297 L C 0.053 176.914 176.870 -0.015 0.000 1.035 297 L CA -0.958 53.867 54.840 -0.025 0.000 0.806 297 L CB 1.868 43.905 42.059 -0.037 0.000 1.214 297 L HN 0.709 nan 8.230 nan 0.000 0.426 298 A N 3.596 126.414 122.820 -0.003 0.000 2.289 298 A HA 0.553 4.873 4.320 0.000 0.000 0.298 298 A C -0.096 177.500 177.584 0.020 0.000 1.208 298 A CA -0.479 51.560 52.037 0.004 0.000 0.845 298 A CB 0.744 19.747 19.000 0.005 0.000 1.125 298 A HN 0.442 nan 8.150 nan 0.000 0.517 299 V N 3.293 123.218 119.914 0.018 0.000 2.585 299 V HA 0.328 4.448 4.120 0.000 0.000 0.296 299 V C 1.108 177.232 176.094 0.049 0.000 1.035 299 V CA 0.823 63.146 62.300 0.038 0.000 1.084 299 V CB 0.571 32.401 31.823 0.011 0.000 0.953 299 V HN 1.096 nan 8.190 nan 0.000 0.483 300 T N 4.099 118.715 114.554 0.105 0.000 2.926 300 T HA 0.765 5.115 4.350 0.000 0.000 0.289 300 T C -0.538 174.221 174.700 0.099 0.000 1.054 300 T CA -1.120 61.047 62.100 0.110 0.000 1.015 300 T CB 2.278 71.234 68.868 0.147 0.000 1.167 300 T HN 0.459 nan 8.240 nan 0.000 0.526 301 R N 1.106 121.646 120.500 0.067 0.000 2.744 301 R HA 0.350 4.690 4.340 0.000 0.000 0.279 301 R C 1.410 177.755 176.300 0.076 0.000 0.977 301 R CA -1.035 55.066 56.100 0.001 0.000 0.906 301 R CB 1.690 31.958 30.300 -0.052 0.000 1.197 301 R HN 0.889 nan 8.270 nan 0.000 0.463 302 L N -0.881 120.395 121.223 0.087 0.000 2.556 302 L HA 0.036 4.376 4.340 0.000 0.000 0.230 302 L C 0.912 177.810 176.870 0.047 0.000 1.163 302 L CA 0.813 55.718 54.840 0.108 0.000 0.819 302 L CB -0.528 41.594 42.059 0.104 0.000 0.939 302 L HN 0.628 nan 8.230 nan 0.000 0.452 303 E N 2.060 122.273 120.200 0.022 0.000 2.864 303 E HA -0.050 4.300 4.350 0.000 0.000 0.285 303 E C 0.840 177.446 176.600 0.010 0.000 0.965 303 E CA 1.005 57.410 56.400 0.008 0.000 0.985 303 E CB 0.041 29.742 29.700 0.002 0.000 1.000 303 E HN 0.524 nan 8.360 nan 0.000 0.475 304 G N 4.011 112.813 108.800 0.003 0.000 2.438 304 G HA2 -0.220 3.740 3.960 0.000 0.000 0.272 304 G HA3 -0.220 3.740 3.960 0.000 0.000 0.272 304 G C -0.097 174.804 174.900 0.003 0.000 0.991 304 G CA 0.304 45.405 45.100 0.002 0.000 1.348 304 G HN 0.488 nan 8.290 nan 0.000 0.483 305 I N 0.537 121.107 120.570 0.001 0.000 3.062 305 I HA 0.844 5.014 4.170 0.000 0.000 0.316 305 I C 1.285 177.400 176.117 -0.004 0.000 1.041 305 I CA 0.013 61.313 61.300 0.000 0.000 1.069 305 I CB 1.677 39.678 38.000 0.001 0.000 1.300 305 I HN 1.146 nan 8.210 nan 0.000 0.518 306 G N 1.746 110.543 108.800 -0.005 0.000 2.317 306 G HA2 -0.129 3.831 3.960 0.000 0.000 0.196 306 G HA3 -0.129 3.831 3.960 0.000 0.000 0.196 306 G C 0.168 175.062 174.900 -0.010 0.000 1.255 306 G CA -0.156 44.940 45.100 -0.007 0.000 1.243 306 G HN 0.557 nan 8.290 nan 0.000 0.535 307 E N 0.377 120.570 120.200 -0.011 0.000 2.021 307 E HA 0.259 4.609 4.350 0.000 0.000 0.189 307 E C 2.032 178.622 176.600 -0.016 0.000 0.980 307 E CA 0.774 57.165 56.400 -0.015 0.000 0.803 307 E CB -0.031 29.660 29.700 -0.015 0.000 0.766 307 E HN 0.792 nan 8.360 nan 0.000 0.449 308 A N 2.309 125.120 122.820 -0.014 0.000 3.074 308 A HA 0.123 4.443 4.320 0.000 0.000 0.251 308 A C -0.075 177.502 177.584 -0.011 0.000 1.695 308 A CA -0.048 51.980 52.037 -0.015 0.000 1.343 308 A CB -0.642 18.350 19.000 -0.013 0.000 1.078 308 A HN -0.011 nan 8.150 nan 0.000 0.644 309 T N 1.609 116.156 114.554 -0.011 0.000 2.907 309 T HA 0.498 4.848 4.350 0.000 0.000 0.298 309 T C 0.256 174.953 174.700 -0.005 0.000 1.017 309 T CA 0.017 62.114 62.100 -0.005 0.000 1.118 309 T CB 0.694 69.559 68.868 -0.005 0.000 0.948 309 T HN 0.553 nan 8.240 nan 0.000 0.531 310 R N 0.167 120.669 120.500 0.005 0.000 2.690 310 R HA 0.584 4.925 4.340 0.000 0.000 0.269 310 R C -1.369 174.947 176.300 0.026 0.000 1.037 310 R CA -0.754 55.351 56.100 0.007 0.000 0.877 310 R CB 1.920 32.221 30.300 0.001 0.000 1.255 310 R HN 0.698 nan 8.270 nan 0.000 0.467 311 A N 1.482 124.323 122.820 0.034 0.000 2.331 311 A HA 0.576 4.896 4.320 0.000 0.000 0.283 311 A C -0.059 177.554 177.584 0.047 0.000 1.142 311 A CA -0.506 51.571 52.037 0.067 0.000 0.812 311 A CB 0.650 19.703 19.000 0.089 0.000 1.074 311 A HN 0.422 nan 8.150 nan 0.000 0.497 312 V N 0.425 120.368 119.914 0.048 0.000 2.588 312 V HA 0.687 4.807 4.120 0.000 0.000 0.304 312 V C -2.794 173.317 176.094 0.028 0.000 1.042 312 V CA -2.579 59.738 62.300 0.028 0.000 0.877 312 V CB 1.603 33.435 31.823 0.016 0.000 0.996 312 V HN 0.762 nan 8.190 nan 0.000 0.425 313 P HA 0.045 nan 4.420 nan 0.000 0.262 313 P C 0.966 178.270 177.300 0.006 0.000 1.182 313 P CA 0.719 63.829 63.100 0.016 0.000 0.761 313 P CB 0.909 32.615 31.700 0.010 0.000 0.795 314 T N -0.282 114.273 114.554 0.002 0.000 3.043 314 T HA 0.185 4.536 4.350 0.000 0.000 0.263 314 T C 1.378 176.072 174.700 -0.010 0.000 1.094 314 T CA 1.021 63.115 62.100 -0.010 0.000 1.127 314 T CB -0.443 68.413 68.868 -0.020 0.000 0.905 314 T HN 0.612 nan 8.240 nan 0.000 0.490 315 G N 0.839 109.635 108.800 -0.007 0.000 2.284 315 G HA2 -0.123 3.837 3.960 0.000 0.000 0.201 315 G HA3 -0.123 3.837 3.960 0.000 0.000 0.201 315 G C -0.434 174.460 174.900 -0.010 0.000 0.998 315 G CA -0.132 44.963 45.100 -0.009 0.000 0.651 315 G HN 0.552 nan 8.290 nan 0.000 0.489 316 D N 1.250 121.643 120.400 -0.012 0.000 2.256 316 D HA 0.548 5.188 4.640 0.000 0.000 0.250 316 D C 0.817 177.109 176.300 -0.012 0.000 1.093 316 D CA 0.506 54.498 54.000 -0.014 0.000 0.882 316 D CB 2.399 43.189 40.800 -0.017 0.000 1.185 316 D HN 0.819 nan 8.370 nan 0.000 0.437 317 V N -1.044 118.861 119.914 -0.016 0.000 3.158 317 V HA 0.694 4.814 4.120 0.000 0.000 0.315 317 V C -0.465 175.614 176.094 -0.026 0.000 1.148 317 V CA -0.778 61.511 62.300 -0.018 0.000 1.042 317 V CB 2.552 34.364 31.823 -0.018 0.000 1.101 317 V HN 0.517 nan 8.190 nan 0.000 0.448 318 E N 0.564 120.743 120.200 -0.034 0.000 2.287 318 E HA 0.320 4.670 4.350 0.000 0.000 0.274 318 E C -1.911 174.656 176.600 -0.055 0.000 0.896 318 E CA -0.582 55.789 56.400 -0.049 0.000 0.788 318 E CB 1.885 31.547 29.700 -0.063 0.000 1.244 318 E HN 0.891 nan 8.360 nan 0.000 0.408 319 D N 3.870 124.238 120.400 -0.053 0.000 2.280 319 D HA 0.254 4.894 4.640 0.000 0.000 0.243 319 D C -0.507 175.753 176.300 -0.067 0.000 1.129 319 D CA -0.281 53.689 54.000 -0.050 0.000 0.848 319 D CB 1.223 42.001 40.800 -0.037 0.000 1.107 319 D HN 0.238 nan 8.370 nan 0.000 0.471 320 L N 4.993 126.172 121.223 -0.073 0.000 2.280 320 L HA 0.348 4.688 4.340 0.000 0.000 0.287 320 L C -2.390 174.452 176.870 -0.046 0.000 1.023 320 L CA -1.698 53.087 54.840 -0.092 0.000 0.819 320 L CB 1.718 43.700 42.059 -0.128 0.000 1.212 320 L HN 0.067 nan 8.230 nan 0.000 0.420 321 P HA 0.281 nan 4.420 nan 0.000 0.271 321 P C -1.377 175.939 177.300 0.027 0.000 1.216 321 P CA -0.299 62.801 63.100 0.001 0.000 0.771 321 P CB 0.497 32.203 31.700 0.009 0.000 0.864 322 C N 0.348 119.664 119.300 0.026 0.000 3.279 322 C HA 0.652 5.112 4.460 0.000 0.000 0.386 322 C C 1.062 176.065 174.990 0.023 0.000 1.081 322 C CA -0.267 58.776 59.018 0.042 0.000 1.192 322 C CB 1.101 28.872 27.740 0.053 0.000 1.552 322 C HN 0.636 nan 8.230 nan 0.000 0.559 323 G N 0.315 109.131 108.800 0.026 0.000 3.020 323 G HA2 0.458 4.418 3.960 0.000 0.000 0.217 323 G HA3 0.458 4.418 3.960 0.000 0.000 0.217 323 G C -0.313 174.595 174.900 0.014 0.000 1.144 323 G CA 0.448 45.558 45.100 0.016 0.000 0.760 323 G HN 1.014 nan 8.290 nan 0.000 0.548 324 L N 1.069 122.301 121.223 0.015 0.000 2.438 324 L HA 0.671 5.011 4.340 0.000 0.000 0.270 324 L C -1.308 175.562 176.870 0.001 0.000 0.972 324 L CA -0.828 54.021 54.840 0.015 0.000 0.831 324 L CB 2.504 44.564 42.059 0.003 0.000 1.273 324 L HN -0.162 nan 8.230 nan 0.000 0.405 325 V N 6.283 126.192 119.914 -0.008 0.000 2.407 325 V HA 0.493 4.613 4.120 0.000 0.000 0.291 325 V C -0.362 175.735 176.094 0.005 0.000 1.018 325 V CA -0.495 61.799 62.300 -0.010 0.000 0.842 325 V CB 1.553 33.359 31.823 -0.027 0.000 0.996 325 V HN 0.573 nan 8.190 nan 0.000 0.426 326 L N 3.526 124.751 121.223 0.004 0.000 2.305 326 L HA 0.549 4.889 4.340 0.000 0.000 0.284 326 L C 0.340 177.231 176.870 0.035 0.000 1.013 326 L CA -0.231 54.621 54.840 0.020 0.000 0.819 326 L CB 1.966 44.000 42.059 -0.042 0.000 1.227 326 L HN 0.638 nan 8.230 nan 0.000 0.417 327 S N 1.582 117.311 115.700 0.049 0.000 2.411 327 S HA 0.310 4.780 4.470 0.000 0.000 0.294 327 S C 0.335 174.972 174.600 0.061 0.000 1.115 327 S CA -0.588 57.639 58.200 0.045 0.000 1.071 327 S CB 0.451 63.677 63.200 0.043 0.000 0.967 327 S HN 0.656 nan 8.310 nan 0.000 0.488 328 S N 4.833 120.561 115.700 0.046 0.000 2.256 328 S HA 0.274 4.744 4.470 0.000 0.000 0.210 328 S C 0.278 174.846 174.600 -0.052 0.000 1.329 328 S CA -0.796 57.430 58.200 0.043 0.000 1.267 328 S CB -0.733 62.523 63.200 0.093 0.000 1.086 328 S HN 0.818 nan 8.310 nan 0.000 0.468 329 I N -0.595 119.921 120.570 -0.090 0.000 3.282 329 I HA 0.682 4.853 4.170 0.000 0.000 0.335 329 I C 0.779 176.739 176.117 -0.262 0.000 1.325 329 I CA -0.349 60.873 61.300 -0.130 0.000 1.156 329 I CB -0.886 37.075 38.000 -0.066 0.000 1.644 329 I HN 0.585 nan 8.210 nan 0.000 0.493 330 G N 1.989 110.481 108.800 -0.514 0.000 2.750 330 G HA2 -0.250 3.710 3.960 0.000 0.000 0.228 330 G HA3 -0.250 3.710 3.960 0.000 0.000 0.228 330 G C -0.924 173.369 174.900 -1.013 0.000 1.367 330 G CA 0.158 44.774 45.100 -0.806 0.000 0.871 330 G HN 0.604 nan 8.290 nan 0.000 0.560 331 Y N -1.009 119.285 120.300 -0.010 0.000 2.974 331 Y HA 0.826 5.376 4.550 0.000 0.000 0.310 331 Y C 0.370 176.277 175.900 0.011 0.000 1.551 331 Y CA -0.943 57.188 58.100 0.052 0.000 1.084 331 Y CB 1.274 39.801 38.460 0.113 0.000 1.446 331 Y HN 0.715 nan 8.280 nan 0.000 0.472 332 K N -0.258 120.290 120.400 0.246 0.000 2.562 332 K HA 0.582 4.902 4.320 0.000 0.000 0.267 332 K C -1.328 175.412 176.600 0.234 0.000 0.938 332 K CA -0.815 55.582 56.287 0.182 0.000 0.840 332 K CB 2.664 35.261 32.500 0.162 0.000 1.390 332 K HN 0.571 nan 8.250 nan 0.000 0.428 333 S N 1.070 116.938 115.700 0.280 0.000 2.634 333 S HA 0.356 4.826 4.470 0.000 0.000 0.261 333 S C -0.163 174.659 174.600 0.370 0.000 1.271 333 S CA -0.653 57.748 58.200 0.335 0.000 0.985 333 S CB 0.404 63.813 63.200 0.349 0.000 0.968 333 S HN 0.613 nan 8.310 nan 0.000 0.568 334 R N 0.212 120.840 120.500 0.213 0.000 2.771 334 R HA 0.576 4.916 4.340 0.000 0.000 0.274 334 R C -3.353 172.681 176.300 -0.443 0.000 0.987 334 R CA -2.193 53.799 56.100 -0.181 0.000 0.908 334 R CB 0.812 31.050 30.300 -0.103 0.000 1.213 334 R HN 0.308 nan 8.270 nan 0.000 0.468 335 P HA 0.132 nan 4.420 nan 0.000 0.275 335 P C 0.327 177.416 177.300 -0.352 0.000 1.227 335 P CA -0.378 62.337 63.100 -0.641 0.000 0.781 335 P CB 1.015 32.299 31.700 -0.694 0.000 0.906 336 I N -2.008 118.386 120.570 -0.294 0.000 4.288 336 I HA 0.459 4.629 4.170 0.000 0.000 0.331 336 I C -0.028 175.964 176.117 -0.210 0.000 1.322 336 I CA 0.207 61.317 61.300 -0.316 0.000 1.149 336 I CB 0.657 38.335 38.000 -0.536 0.000 1.112 336 I HN 0.081 nan 8.210 nan 0.000 0.403 337 D N 2.319 122.630 120.400 -0.148 0.000 2.970 337 D HA 0.256 4.896 4.640 0.000 0.000 0.230 337 D C -2.205 174.061 176.300 -0.057 0.000 1.276 337 D CA -1.358 52.584 54.000 -0.096 0.000 0.910 337 D CB 2.925 43.675 40.800 -0.083 0.000 1.590 337 D HN -0.148 nan 8.370 nan 0.000 0.551 338 P HA -0.081 nan 4.420 nan 0.000 0.231 338 P C 1.069 178.367 177.300 -0.005 0.000 1.158 338 P CA 0.473 63.559 63.100 -0.023 0.000 0.763 338 P CB 0.494 32.179 31.700 -0.025 0.000 0.805 339 S N -0.885 114.810 115.700 -0.008 0.000 2.496 339 S HA 0.058 4.528 4.470 0.000 0.000 0.224 339 S C 0.794 175.405 174.600 0.019 0.000 0.996 339 S CA -0.061 58.141 58.200 0.003 0.000 0.927 339 S CB -0.265 62.933 63.200 -0.004 0.000 0.774 339 S HN -0.113 nan 8.310 nan 0.000 0.524 340 V N 4.501 124.433 119.914 0.030 0.000 2.427 340 V HA 0.450 4.570 4.120 0.000 0.000 0.286 340 V C -2.028 174.123 176.094 0.095 0.000 1.034 340 V CA -2.029 60.309 62.300 0.063 0.000 0.893 340 V CB 1.415 33.292 31.823 0.090 0.000 0.982 340 V HN 0.343 nan 8.190 nan 0.000 0.452 341 P HA 0.325 nan 4.420 nan 0.000 0.272 341 P C -1.243 176.201 177.300 0.239 0.000 1.230 341 P CA -0.154 63.021 63.100 0.125 0.000 0.788 341 P CB 0.974 32.716 31.700 0.070 0.000 0.949 342 F N 0.672 120.637 119.950 0.025 0.000 2.596 342 F HA 0.265 4.792 4.527 0.000 0.000 0.311 342 F C -1.165 174.648 175.800 0.022 0.000 1.116 342 F CA -0.990 57.029 58.000 0.033 0.000 0.957 342 F CB 1.885 40.911 39.000 0.043 0.000 1.250 342 F HN 0.147 nan 8.300 nan 0.000 0.444 343 D N 7.252 127.232 120.400 -0.701 0.000 2.473 343 D HA 0.375 5.015 4.640 0.000 0.000 0.226 343 D C -2.167 173.678 176.300 -0.758 0.000 1.089 343 D CA -2.351 51.344 54.000 -0.508 0.000 0.883 343 D CB 1.853 42.448 40.800 -0.342 0.000 1.029 343 D HN 0.204 nan 8.370 nan 0.000 0.517 344 P HA -0.094 nan 4.420 nan 0.000 0.220 344 P C 1.253 178.489 177.300 -0.106 0.000 1.148 344 P CA 0.904 63.927 63.100 -0.129 0.000 0.803 344 P CB 0.469 32.225 31.700 0.093 0.000 0.782 345 K N -0.172 120.154 120.400 -0.123 0.000 2.031 345 K HA -0.023 4.298 4.320 0.000 0.000 0.205 345 K C 1.774 178.314 176.600 -0.100 0.000 1.049 345 K CA 1.095 57.333 56.287 -0.082 0.000 0.939 345 K CB -0.409 32.050 32.500 -0.069 0.000 0.717 345 K HN 0.093 nan 8.250 nan 0.000 0.438 346 L N -0.377 120.755 121.223 -0.151 0.000 2.509 346 L HA 0.142 4.482 4.340 0.000 0.000 0.222 346 L C 0.854 177.633 176.870 -0.151 0.000 1.123 346 L CA 0.443 55.201 54.840 -0.136 0.000 0.856 346 L CB 0.104 42.082 42.059 -0.134 0.000 0.985 346 L HN 0.545 nan 8.230 nan 0.000 0.456 347 G N 1.476 110.130 108.800 -0.242 0.000 2.272 347 G HA2 -0.208 3.752 3.960 0.000 0.000 0.280 347 G HA3 -0.208 3.752 3.960 0.000 0.000 0.280 347 G C -0.028 174.791 174.900 -0.134 0.000 1.067 347 G CA 0.398 45.399 45.100 -0.164 0.000 0.902 347 G HN 0.324 nan 8.290 nan 0.000 0.500 348 V N -4.467 115.229 119.914 -0.364 0.000 3.182 348 V HA 0.853 4.973 4.120 0.000 0.000 0.308 348 V C 0.274 176.270 176.094 -0.162 0.000 1.240 348 V CA -1.222 61.003 62.300 -0.124 0.000 1.063 348 V CB 2.074 33.849 31.823 -0.080 0.000 1.076 348 V HN 0.622 nan 8.190 nan 0.000 0.446 349 V N 2.428 122.370 119.914 0.047 0.000 2.389 349 V HA 0.342 4.462 4.120 0.000 0.000 0.264 349 V C -2.179 173.922 176.094 0.012 0.000 1.049 349 V CA -1.424 60.939 62.300 0.105 0.000 0.932 349 V CB 0.685 32.591 31.823 0.140 0.000 1.011 349 V HN 0.884 nan 8.190 nan 0.000 0.475 350 P HA 0.015 nan 4.420 nan 0.000 0.259 350 P C -0.648 176.644 177.300 -0.013 0.000 1.163 350 P CA 0.552 63.634 63.100 -0.030 0.000 0.760 350 P CB 0.159 31.843 31.700 -0.027 0.000 0.762 351 N N 1.941 120.631 118.700 -0.017 0.000 2.591 351 N HA 0.586 5.326 4.740 0.000 0.000 0.263 351 N C -1.492 174.013 175.510 -0.008 0.000 1.308 351 N CA -1.007 52.037 53.050 -0.011 0.000 0.837 351 N CB 0.889 39.379 38.487 0.005 0.000 1.548 351 N HN 0.057 nan 8.380 nan 0.000 0.493 352 M N 1.837 121.433 119.600 -0.006 0.000 2.131 352 M HA 0.428 4.908 4.480 0.000 0.000 0.345 352 M C -0.666 175.648 176.300 0.023 0.000 1.060 352 M CA 0.228 55.529 55.300 0.002 0.000 1.011 352 M CB -0.430 32.166 32.600 -0.006 0.000 1.328 352 M HN 0.631 nan 8.290 nan 0.000 0.396 353 E N 2.795 123.012 120.200 0.028 0.000 2.476 353 E HA -0.234 4.117 4.350 0.000 0.000 0.251 353 E C 0.835 177.480 176.600 0.076 0.000 1.130 353 E CA 1.359 57.785 56.400 0.044 0.000 0.736 353 E CB -1.950 27.776 29.700 0.043 0.000 1.298 353 E HN 1.214 nan 8.360 nan 0.000 0.400 354 G N -0.415 108.433 108.800 0.080 0.000 2.339 354 G HA2 -0.288 3.672 3.960 0.000 0.000 0.209 354 G HA3 -0.288 3.672 3.960 0.000 0.000 0.209 354 G C 0.269 175.258 174.900 0.148 0.000 1.015 354 G CA -0.021 45.164 45.100 0.141 0.000 0.635 354 G HN 0.211 nan 8.290 nan 0.000 0.499 355 R N 1.115 121.648 120.500 0.056 0.000 2.248 355 R HA 0.468 4.808 4.340 0.000 0.000 0.328 355 R C 0.318 176.543 176.300 -0.126 0.000 1.067 355 R CA -0.299 55.712 56.100 -0.148 0.000 0.924 355 R CB 1.590 31.813 30.300 -0.128 0.000 1.013 355 R HN 0.131 nan 8.270 nan 0.000 0.454 356 V N 4.502 124.313 119.914 -0.170 0.000 2.655 356 V HA -0.039 4.081 4.120 0.000 0.000 0.300 356 V C 0.837 176.882 176.094 -0.082 0.000 1.044 356 V CA -0.174 62.076 62.300 -0.083 0.000 1.095 356 V CB 1.147 32.936 31.823 -0.058 0.000 0.952 356 V HN 0.463 nan 8.190 nan 0.000 0.485 357 V N 5.809 125.697 119.914 -0.043 0.000 2.557 357 V HA 0.025 4.145 4.120 0.000 0.000 0.301 357 V C 0.998 177.072 176.094 -0.033 0.000 1.026 357 V CA 0.463 62.741 62.300 -0.037 0.000 1.137 357 V CB -0.083 31.727 31.823 -0.022 0.000 0.917 357 V HN 1.107 nan 8.190 nan 0.000 0.484 358 D N 2.273 122.650 120.400 -0.039 0.000 3.039 358 D HA -0.155 4.485 4.640 0.000 0.000 0.222 358 D C -0.121 176.160 176.300 -0.031 0.000 1.179 358 D CA 0.977 54.959 54.000 -0.031 0.000 0.880 358 D CB -0.781 40.010 40.800 -0.017 0.000 1.115 358 D HN 0.434 nan 8.370 nan 0.000 0.416 359 V N 0.456 120.340 119.914 -0.050 0.000 2.340 359 V HA 0.274 4.394 4.120 0.000 0.000 0.277 359 V C -2.153 173.893 176.094 -0.079 0.000 1.017 359 V CA -1.370 60.903 62.300 -0.045 0.000 0.820 359 V CB 1.841 33.644 31.823 -0.033 0.000 1.028 359 V HN -0.180 nan 8.190 nan 0.000 0.436 360 P HA 0.294 nan 4.420 nan 0.000 0.268 360 P C 1.128 178.419 177.300 -0.015 0.000 1.204 360 P CA 1.251 64.325 63.100 -0.043 0.000 0.768 360 P CB 0.871 32.574 31.700 0.005 0.000 0.842 361 G N 1.421 110.213 108.800 -0.013 0.000 2.205 361 G HA2 -0.249 3.711 3.960 0.000 0.000 0.261 361 G HA3 -0.249 3.711 3.960 0.000 0.000 0.261 361 G C -0.264 174.706 174.900 0.117 0.000 0.980 361 G CA -0.123 45.069 45.100 0.153 0.000 0.632 361 G HN 0.569 nan 8.290 nan 0.000 0.533 362 L N 1.011 122.146 121.223 -0.147 0.000 2.282 362 L HA 0.850 5.190 4.340 0.000 0.000 0.288 362 L C -0.369 176.299 176.870 -0.337 0.000 1.033 362 L CA -1.570 53.220 54.840 -0.084 0.000 0.807 362 L CB 0.691 42.724 42.059 -0.044 0.000 1.209 362 L HN 0.152 nan 8.230 nan 0.000 0.423 363 Y N 3.017 123.347 120.300 0.049 0.000 2.698 363 Y HA 0.764 5.315 4.550 0.000 0.000 0.332 363 Y C 0.104 176.027 175.900 0.037 0.000 1.119 363 Y CA -0.799 57.327 58.100 0.044 0.000 1.109 363 Y CB 1.680 40.169 38.460 0.049 0.000 1.308 363 Y HN 0.793 nan 8.280 nan 0.000 0.499 364 C N -0.541 118.882 119.300 0.206 0.000 3.285 364 C HA 0.940 5.400 4.460 0.000 0.000 0.325 364 C C -0.935 174.108 174.990 0.087 0.000 1.304 364 C CA -0.857 58.224 59.018 0.104 0.000 1.319 364 C CB 1.150 28.918 27.740 0.047 0.000 1.640 364 C HN 1.080 nan 8.230 nan 0.000 0.477 365 S N 0.550 116.279 115.700 0.048 0.000 2.588 365 S HA 0.966 5.436 4.470 0.000 0.000 0.269 365 S C 0.002 174.625 174.600 0.039 0.000 1.157 365 S CA 0.501 58.730 58.200 0.050 0.000 0.824 365 S CB 0.836 64.071 63.200 0.057 0.000 1.126 365 S HN 3.186 nan 8.310 nan 0.000 0.464 366 G N 0.683 109.524 108.800 0.067 0.000 2.568 366 G HA2 -0.206 3.754 3.960 0.000 0.000 0.222 366 G HA3 -0.206 3.754 3.960 0.000 0.000 0.222 366 G C 0.108 175.150 174.900 0.236 0.000 1.321 366 G CA 0.230 45.392 45.100 0.103 0.000 0.893 366 G HN 0.930 nan 8.290 nan 0.000 0.569 367 W N -0.384 120.918 121.300 0.003 0.000 2.392 367 W HA 0.141 4.801 4.660 0.000 0.000 0.279 367 W C 2.759 179.265 176.519 -0.022 0.000 1.225 367 W CA 1.249 58.603 57.345 0.015 0.000 1.233 367 W CB -1.117 28.375 29.460 0.054 0.000 1.122 367 W HN 0.522 nan 8.180 nan 0.000 0.561 368 V N 0.618 120.601 119.914 0.115 0.000 3.217 368 V HA -0.146 3.974 4.120 0.000 0.000 0.264 368 V C 2.174 178.257 176.094 -0.018 0.000 1.135 368 V CA 1.947 64.213 62.300 -0.055 0.000 1.142 368 V CB -0.299 31.264 31.823 -0.435 0.000 0.754 368 V HN 0.132 nan 8.190 nan 0.000 0.484 369 K N -0.848 119.569 120.400 0.028 0.000 2.240 369 K HA 0.078 4.398 4.320 0.000 0.000 0.202 369 K C 2.001 178.617 176.600 0.028 0.000 1.053 369 K CA 0.058 56.362 56.287 0.027 0.000 0.973 369 K CB 0.125 32.650 32.500 0.042 0.000 0.924 369 K HN 0.216 nan 8.250 nan 0.000 0.477 370 R N 0.170 120.702 120.500 0.054 0.000 2.335 370 R HA 0.241 4.581 4.340 0.000 0.000 0.210 370 R C 0.207 176.500 176.300 -0.012 0.000 0.892 370 R CA 0.723 56.841 56.100 0.029 0.000 1.048 370 R CB 1.072 31.405 30.300 0.055 0.000 1.067 370 R HN 0.433 nan 8.270 nan 0.000 0.524 371 G N 1.916 110.705 108.800 -0.018 0.000 2.570 371 G HA2 -0.126 3.834 3.960 0.000 0.000 0.686 371 G HA3 -0.126 3.834 3.960 0.000 0.000 0.686 371 G C -2.680 171.978 174.900 -0.402 0.000 1.257 371 G CA -0.885 44.136 45.100 -0.133 0.000 0.846 371 G HN -0.115 nan 8.290 nan 0.000 0.627 372 P HA 0.150 nan 4.420 nan 0.000 0.237 372 P C 0.839 177.434 177.300 -1.175 0.000 1.723 372 P CA 0.888 62.909 63.100 -1.799 0.000 0.882 372 P CB -0.570 30.457 31.700 -1.123 0.000 1.810 373 T N -4.025 110.178 114.554 -0.585 0.000 3.228 373 T HA 0.446 4.796 4.350 0.000 0.000 0.278 373 T C 0.672 175.405 174.700 0.055 0.000 1.014 373 T CA -0.528 61.459 62.100 -0.188 0.000 0.904 373 T CB 0.240 69.030 68.868 -0.131 0.000 1.110 373 T HN 0.109 nan 8.240 nan 0.000 0.541 374 G N 1.202 110.179 108.800 0.296 0.000 2.542 374 G HA2 0.610 4.570 3.960 0.000 0.000 0.311 374 G HA3 0.610 4.570 3.960 0.000 0.000 0.311 374 G C -0.088 175.066 174.900 0.423 0.000 1.298 374 G CA -0.526 44.777 45.100 0.337 0.000 0.973 374 G HN 0.504 nan 8.290 nan 0.000 0.487 375 V N 1.304 121.367 119.914 0.248 0.000 3.751 375 V HA 0.346 4.466 4.120 0.000 0.000 0.279 375 V C 1.740 177.919 176.094 0.142 0.000 1.010 375 V CA -0.179 62.240 62.300 0.199 0.000 1.015 375 V CB 0.174 32.076 31.823 0.131 0.000 1.240 375 V HN 0.695 nan 8.190 nan 0.000 0.438 376 I N -0.317 120.314 120.570 0.103 0.000 2.315 376 I HA -0.169 4.001 4.170 0.000 0.000 0.248 376 I C 2.614 178.759 176.117 0.046 0.000 1.117 376 I CA 1.873 63.234 61.300 0.102 0.000 1.404 376 I CB -0.584 37.496 38.000 0.134 0.000 1.071 376 I HN 0.856 nan 8.210 nan 0.000 0.419 377 T N -0.029 114.530 114.554 0.008 0.000 2.821 377 T HA -0.133 4.217 4.350 0.000 0.000 0.267 377 T C 1.915 176.559 174.700 -0.094 0.000 1.046 377 T CA 1.848 63.908 62.100 -0.068 0.000 1.139 377 T CB -0.307 68.541 68.868 -0.033 0.000 0.871 377 T HN 0.360 nan 8.240 nan 0.000 0.454 378 T N 1.819 116.363 114.554 -0.017 0.000 2.737 378 T HA -0.100 4.250 4.350 0.000 0.000 0.265 378 T C 2.321 177.006 174.700 -0.026 0.000 1.038 378 T CA 1.564 63.664 62.100 -0.000 0.000 1.144 378 T CB -0.706 68.206 68.868 0.073 0.000 0.866 378 T HN 0.365 nan 8.240 nan 0.000 0.434 379 T N 2.403 116.963 114.554 0.010 0.000 2.746 379 T HA -0.053 4.298 4.350 0.000 0.000 0.267 379 T C 1.942 176.559 174.700 -0.139 0.000 1.039 379 T CA 1.200 63.302 62.100 0.003 0.000 1.142 379 T CB -0.347 68.543 68.868 0.037 0.000 0.866 379 T HN 0.315 nan 8.240 nan 0.000 0.444 380 M N 1.478 120.883 119.600 -0.324 0.000 2.067 380 M HA -0.167 4.313 4.480 0.000 0.000 0.260 380 M C 2.604 178.269 176.300 -1.059 0.000 1.069 380 M CA 2.324 57.064 55.300 -0.933 0.000 1.117 380 M CB -0.558 31.241 32.600 -1.335 0.000 1.334 380 M HN 0.392 nan 8.290 nan 0.000 0.407 381 T N -2.551 111.636 114.554 -0.612 0.000 2.962 381 T HA -0.168 4.182 4.350 0.000 0.000 0.270 381 T C 1.236 175.822 174.700 -0.190 0.000 1.088 381 T CA 1.800 63.684 62.100 -0.359 0.000 1.127 381 T CB -0.584 68.206 68.868 -0.129 0.000 0.883 381 T HN 0.621 nan 8.240 nan 0.000 0.493 382 D N 1.065 121.364 120.400 -0.167 0.000 2.137 382 D HA -0.022 4.618 4.640 0.000 0.000 0.202 382 D C 2.227 178.496 176.300 -0.052 0.000 0.970 382 D CA 1.067 55.029 54.000 -0.062 0.000 0.837 382 D CB -0.310 40.482 40.800 -0.014 0.000 0.981 382 D HN 0.400 nan 8.370 nan 0.000 0.475 383 S N -0.548 115.091 115.700 -0.101 0.000 2.402 383 S HA -0.062 4.408 4.470 0.000 0.000 0.229 383 S C 1.510 176.156 174.600 0.077 0.000 1.021 383 S CA 0.445 58.640 58.200 -0.007 0.000 0.974 383 S CB -0.356 62.865 63.200 0.035 0.000 0.800 383 S HN 0.276 nan 8.310 nan 0.000 0.484 384 F N 1.684 121.571 119.950 -0.105 0.000 2.186 384 F HA 0.122 4.649 4.527 0.000 0.000 0.299 384 F C 1.949 177.459 175.800 -0.484 0.000 1.090 384 F CA -0.111 57.685 58.000 -0.340 0.000 1.307 384 F CB -1.206 37.701 39.000 -0.155 0.000 1.019 384 F HN 0.149 nan 8.300 nan 0.000 0.489 385 L N -0.828 120.379 121.223 -0.027 0.000 2.083 385 L HA -0.216 4.124 4.340 0.000 0.000 0.209 385 L C 2.292 179.139 176.870 -0.040 0.000 1.083 385 L CA 1.579 56.395 54.840 -0.040 0.000 0.752 385 L CB -1.106 40.957 42.059 0.006 0.000 0.899 385 L HN 0.113 nan 8.230 nan 0.000 0.433 386 T N -0.522 114.024 114.554 -0.014 0.000 2.812 386 T HA -0.082 4.268 4.350 0.000 0.000 0.264 386 T C 1.852 176.525 174.700 -0.045 0.000 1.042 386 T CA 1.235 63.348 62.100 0.022 0.000 1.140 386 T CB -0.435 68.470 68.868 0.062 0.000 0.870 386 T HN 0.538 nan 8.240 nan 0.000 0.445 387 G N 0.823 109.584 108.800 -0.065 0.000 2.442 387 G HA2 -0.256 3.704 3.960 0.000 0.000 0.219 387 G HA3 -0.256 3.704 3.960 0.000 0.000 0.219 387 G C 1.593 176.504 174.900 0.018 0.000 1.141 387 G CA 0.989 46.084 45.100 -0.009 0.000 0.763 387 G HN 0.372 nan 8.290 nan 0.000 0.554 388 Q N 0.283 120.020 119.800 -0.105 0.000 2.049 388 Q HA 0.097 4.437 4.340 0.000 0.000 0.198 388 Q C 2.322 178.338 176.000 0.027 0.000 0.971 388 Q CA 0.985 56.809 55.803 0.036 0.000 0.833 388 Q CB -0.494 28.237 28.738 -0.013 0.000 0.896 388 Q HN 0.502 nan 8.270 nan 0.000 0.434 389 I N -0.177 120.402 120.570 0.015 0.000 2.454 389 I HA -0.206 3.964 4.170 0.000 0.000 0.254 389 I C 1.937 178.083 176.117 0.048 0.000 1.156 389 I CA 0.641 61.984 61.300 0.071 0.000 1.433 389 I CB 0.044 38.124 38.000 0.133 0.000 1.082 389 I HN 0.344 nan 8.210 nan 0.000 0.432 390 L N 0.033 121.164 121.223 -0.152 0.000 2.095 390 L HA -0.143 4.197 4.340 0.000 0.000 0.204 390 L C 2.282 179.081 176.870 -0.118 0.000 1.080 390 L CA 1.226 55.815 54.840 -0.418 0.000 0.759 390 L CB -0.100 41.516 42.059 -0.738 0.000 0.914 390 L HN 0.199 nan 8.230 nan 0.000 0.439 391 L N -0.532 120.674 121.223 -0.029 0.000 2.141 391 L HA -0.195 4.146 4.340 0.000 0.000 0.209 391 L C 2.560 179.464 176.870 0.055 0.000 1.094 391 L CA 0.682 55.548 54.840 0.043 0.000 0.763 391 L CB -0.392 41.730 42.059 0.104 0.000 0.908 391 L HN 0.340 nan 8.230 nan 0.000 0.437 392 Q N 0.004 119.839 119.800 0.058 0.000 2.119 392 Q HA -0.178 4.162 4.340 0.000 0.000 0.201 392 Q C 1.753 177.809 176.000 0.093 0.000 0.972 392 Q CA 1.436 57.281 55.803 0.070 0.000 0.847 392 Q CB -0.089 28.696 28.738 0.078 0.000 0.903 392 Q HN 0.383 nan 8.270 nan 0.000 0.433 393 D N -0.753 119.729 120.400 0.137 0.000 2.183 393 D HA -0.110 4.530 4.640 0.000 0.000 0.203 393 D C 1.750 178.109 176.300 0.099 0.000 0.969 393 D CA 0.402 54.529 54.000 0.211 0.000 0.842 393 D CB 0.010 41.009 40.800 0.332 0.000 0.957 393 D HN 0.202 nan 8.370 nan 0.000 0.484 394 L N 1.658 122.920 121.223 0.066 0.000 1.994 394 L HA -0.157 4.183 4.340 0.000 0.000 0.208 394 L C 1.966 178.833 176.870 -0.004 0.000 1.071 394 L CA 1.845 56.700 54.840 0.026 0.000 0.745 394 L CB -0.371 41.695 42.059 0.012 0.000 0.892 394 L HN -0.185 nan 8.230 nan 0.000 0.431 395 K N -0.302 120.103 120.400 0.008 0.000 2.063 395 K HA -0.125 4.195 4.320 0.000 0.000 0.208 395 K C 1.898 178.457 176.600 -0.069 0.000 1.048 395 K CA 1.489 57.770 56.287 -0.011 0.000 0.928 395 K CB -0.496 32.006 32.500 0.004 0.000 0.713 395 K HN 0.484 nan 8.250 nan 0.000 0.442 396 A N 0.497 123.240 122.820 -0.128 0.000 2.235 396 A HA 0.136 4.456 4.320 0.000 0.000 0.208 396 A C 1.329 178.617 177.584 -0.493 0.000 1.172 396 A CA 0.850 52.707 52.037 -0.299 0.000 0.786 396 A CB -0.475 18.314 19.000 -0.350 0.000 0.804 396 A HN 0.452 nan 8.150 nan 0.000 0.479 397 G N -1.244 107.385 108.800 -0.285 0.000 2.182 397 G HA2 -0.285 3.675 3.960 0.000 0.000 0.248 397 G HA3 -0.285 3.675 3.960 0.000 0.000 0.248 397 G C 0.156 174.986 174.900 -0.116 0.000 1.042 397 G CA 0.659 45.657 45.100 -0.171 0.000 0.775 397 G HN 0.828 nan 8.290 nan 0.000 0.501 398 H N -1.090 118.026 119.070 0.077 0.000 2.520 398 H HA 0.479 5.035 4.556 0.000 0.000 0.284 398 H C 1.120 176.514 175.328 0.110 0.000 1.037 398 H CA -0.313 55.786 56.048 0.085 0.000 1.168 398 H CB 0.530 30.345 29.762 0.088 0.000 1.497 398 H HN 0.366 nan 8.280 nan 0.000 0.547 399 L N 1.119 122.463 121.223 0.201 0.000 2.333 399 L HA 0.395 4.735 4.340 0.000 0.000 0.269 399 L C -2.082 174.902 176.870 0.191 0.000 1.010 399 L CA -2.495 52.470 54.840 0.207 0.000 0.818 399 L CB 1.522 43.705 42.059 0.206 0.000 1.306 399 L HN -0.079 nan 8.230 nan 0.000 0.430 400 P HA -0.102 nan 4.420 nan 0.000 0.261 400 P C -0.505 176.936 177.300 0.235 0.000 1.158 400 P CA 0.509 63.720 63.100 0.184 0.000 0.758 400 P CB 0.440 32.233 31.700 0.155 0.000 0.763 401 S N 2.342 118.134 115.700 0.155 0.000 2.610 401 S HA 0.606 5.076 4.470 0.000 0.000 0.273 401 S C 0.791 175.484 174.600 0.154 0.000 1.274 401 S CA 0.557 58.842 58.200 0.141 0.000 1.023 401 S CB 0.063 63.315 63.200 0.086 0.000 0.962 401 S HN 0.869 nan 8.310 nan 0.000 0.523 402 G N 4.529 113.426 108.800 0.162 0.000 2.512 402 G HA2 -0.217 3.744 3.960 0.000 0.000 0.254 402 G HA3 -0.217 3.744 3.960 0.000 0.000 0.254 402 G C -1.792 173.231 174.900 0.205 0.000 1.199 402 G CA -0.210 44.978 45.100 0.147 0.000 0.941 402 G HN 0.703 nan 8.290 nan 0.000 0.569 403 P HA -0.183 nan 4.420 nan 0.000 0.236 403 P C 0.514 177.795 177.300 -0.032 0.000 0.865 403 P CA 2.070 65.189 63.100 0.031 0.000 1.105 403 P CB -0.143 31.547 31.700 -0.016 0.000 0.694 404 R N -3.356 117.058 120.500 -0.143 0.000 1.592 404 R HA -0.086 4.254 4.340 0.000 0.000 0.402 404 R C -2.059 174.141 176.300 -0.166 0.000 1.261 404 R CA 0.597 56.544 56.100 -0.254 0.000 0.987 404 R CB -2.715 27.206 30.300 -0.631 0.000 3.043 404 R HN 0.400 nan 8.270 nan 0.000 0.493 405 P HA -0.034 nan 4.420 nan 0.000 0.235 405 P C 1.047 178.239 177.300 -0.179 0.000 1.177 405 P CA 1.388 64.421 63.100 -0.112 0.000 0.785 405 P CB 0.403 32.067 31.700 -0.060 0.000 0.885 406 G N 1.772 110.337 108.800 -0.391 0.000 2.634 406 G HA2 -0.398 3.562 3.960 0.000 0.000 0.309 406 G HA3 -0.398 3.562 3.960 0.000 0.000 0.309 406 G C 1.253 175.880 174.900 -0.455 0.000 1.265 406 G CA 1.537 46.170 45.100 -0.778 0.000 0.998 406 G HN 0.420 nan 8.290 nan 0.000 0.551 407 S N 0.523 116.112 115.700 -0.184 0.000 2.442 407 S HA 0.213 4.683 4.470 0.000 0.000 0.236 407 S C 2.604 177.179 174.600 -0.041 0.000 1.007 407 S CA 1.866 60.031 58.200 -0.058 0.000 0.965 407 S CB -0.487 62.739 63.200 0.044 0.000 0.773 407 S HN 2.015 nan 8.310 nan 0.000 0.504 408 A N 1.401 124.207 122.820 -0.022 0.000 1.940 408 A HA 0.015 4.335 4.320 0.000 0.000 0.219 408 A C 1.901 179.534 177.584 0.082 0.000 1.176 408 A CA 1.579 53.627 52.037 0.019 0.000 0.631 408 A CB -0.887 18.115 19.000 0.004 0.000 0.814 408 A HN 0.622 nan 8.150 nan 0.000 0.446 409 F N 0.722 120.606 119.950 -0.111 0.000 2.147 409 F HA 0.007 4.534 4.527 0.000 0.000 0.291 409 F C 1.883 177.635 175.800 -0.080 0.000 1.093 409 F CA 0.628 58.569 58.000 -0.098 0.000 1.263 409 F CB -0.501 38.425 39.000 -0.123 0.000 1.036 409 F HN 0.114 nan 8.300 nan 0.000 0.481 410 I N 1.054 121.421 120.570 -0.340 0.000 2.286 410 I HA -0.263 3.907 4.170 0.000 0.000 0.248 410 I C 2.203 178.191 176.117 -0.216 0.000 1.115 410 I CA 1.199 62.246 61.300 -0.422 0.000 1.392 410 I CB -1.448 36.399 38.000 -0.254 0.000 1.065 410 I HN 0.213 nan 8.210 nan 0.000 0.418 411 K N 1.074 121.400 120.400 -0.123 0.000 2.009 411 K HA -0.141 4.179 4.320 0.000 0.000 0.210 411 K C 2.255 178.833 176.600 -0.037 0.000 1.049 411 K CA 1.799 58.049 56.287 -0.062 0.000 0.929 411 K CB -0.313 32.183 32.500 -0.007 0.000 0.714 411 K HN 0.298 nan 8.250 nan 0.000 0.440 412 A N 1.193 124.011 122.820 -0.004 0.000 1.940 412 A HA -0.165 4.156 4.320 0.000 0.000 0.219 412 A C 2.090 179.678 177.584 0.007 0.000 1.176 412 A CA 1.221 53.270 52.037 0.020 0.000 0.631 412 A CB -0.486 18.559 19.000 0.075 0.000 0.814 412 A HN 0.218 nan 8.150 nan 0.000 0.446 413 L N -0.349 120.854 121.223 -0.032 0.000 2.005 413 L HA -0.044 4.296 4.340 0.000 0.000 0.207 413 L C 2.332 179.158 176.870 -0.073 0.000 1.072 413 L CA 1.624 56.422 54.840 -0.071 0.000 0.744 413 L CB -0.537 41.362 42.059 -0.267 0.000 0.895 413 L HN 0.399 nan 8.230 nan 0.000 0.433 414 L N -0.606 120.564 121.223 -0.089 0.000 2.131 414 L HA -0.231 4.109 4.340 0.000 0.000 0.210 414 L C 2.208 179.065 176.870 -0.021 0.000 1.092 414 L CA 1.532 56.345 54.840 -0.046 0.000 0.759 414 L CB -0.630 41.415 42.059 -0.024 0.000 0.903 414 L HN 0.399 nan 8.230 nan 0.000 0.435 415 D N -0.463 119.918 120.400 -0.031 0.000 2.084 415 D HA -0.169 4.471 4.640 0.000 0.000 0.194 415 D C 2.228 178.507 176.300 -0.035 0.000 0.990 415 D CA 1.462 55.436 54.000 -0.044 0.000 0.826 415 D CB 0.153 40.920 40.800 -0.055 0.000 0.971 415 D HN 0.043 nan 8.370 nan 0.000 0.453 416 S N -0.493 115.193 115.700 -0.024 0.000 2.400 416 S HA -0.115 4.355 4.470 0.000 0.000 0.232 416 S C 1.759 176.351 174.600 -0.014 0.000 1.025 416 S CA 0.864 59.054 58.200 -0.015 0.000 0.993 416 S CB -0.204 62.995 63.200 -0.001 0.000 0.808 416 S HN 0.314 nan 8.310 nan 0.000 0.478 417 R N 0.223 120.715 120.500 -0.015 0.000 2.310 417 R HA 0.195 4.536 4.340 0.000 0.000 0.202 417 R C 1.340 177.642 176.300 0.002 0.000 0.933 417 R CA 0.461 56.555 56.100 -0.010 0.000 1.054 417 R CB 0.018 30.307 30.300 -0.019 0.000 0.985 417 R HN 0.411 nan 8.270 nan 0.000 0.489 418 G N 1.010 109.812 108.800 0.003 0.000 2.176 418 G HA2 -0.241 3.719 3.960 0.000 0.000 0.252 418 G HA3 -0.241 3.719 3.960 0.000 0.000 0.252 418 G C -0.058 174.881 174.900 0.064 0.000 1.024 418 G CA 0.028 45.141 45.100 0.022 0.000 0.755 418 G HN 0.151 nan 8.290 nan 0.000 0.507 419 V N 0.696 120.650 119.914 0.068 0.000 2.350 419 V HA 0.539 4.660 4.120 0.000 0.000 0.276 419 V C 0.094 176.313 176.094 0.208 0.000 1.028 419 V CA -0.937 61.435 62.300 0.120 0.000 0.860 419 V CB 1.364 33.230 31.823 0.072 0.000 0.990 419 V HN 0.344 nan 8.190 nan 0.000 0.453 420 W N 9.182 130.516 121.300 0.057 0.000 2.283 420 W HA 0.525 5.185 4.660 0.000 0.000 0.317 420 W C -2.701 173.921 176.519 0.171 0.000 1.042 420 W CA -3.231 54.164 57.345 0.083 0.000 1.348 420 W CB 1.026 30.519 29.460 0.056 0.000 1.216 420 W HN 0.395 nan 8.180 nan 0.000 0.404 421 P HA 0.091 nan 4.420 nan 0.000 0.274 421 P C -0.819 176.700 177.300 0.365 0.000 1.231 421 P CA -0.157 63.166 63.100 0.372 0.000 0.790 421 P CB 1.047 32.993 31.700 0.410 0.000 0.951 422 V N 2.226 122.210 119.914 0.117 0.000 2.347 422 V HA 0.252 4.372 4.120 0.000 0.000 0.280 422 V C 0.637 176.795 176.094 0.106 0.000 1.021 422 V CA -0.278 62.050 62.300 0.046 0.000 0.847 422 V CB 0.868 32.657 31.823 -0.058 0.000 0.990 422 V HN 0.687 nan 8.190 nan 0.000 0.444 423 S N 4.246 120.055 115.700 0.181 0.000 2.645 423 S HA 0.352 4.822 4.470 0.000 0.000 0.266 423 S C 0.822 175.671 174.600 0.415 0.000 1.258 423 S CA -0.246 58.073 58.200 0.197 0.000 0.990 423 S CB 0.694 63.981 63.200 0.146 0.000 0.967 423 S HN 0.523 nan 8.310 nan 0.000 0.556 424 F N 1.743 121.867 119.950 0.290 0.000 2.234 424 F HA -0.046 4.481 4.527 0.000 0.000 0.299 424 F C 2.682 178.597 175.800 0.193 0.000 1.087 424 F CA 1.783 59.917 58.000 0.224 0.000 1.340 424 F CB -0.628 38.460 39.000 0.145 0.000 1.031 424 F HN 0.749 nan 8.300 nan 0.000 0.500 425 S N -0.873 114.961 115.700 0.224 0.000 2.402 425 S HA -0.179 4.291 4.470 0.000 0.000 0.229 425 S C 1.726 176.321 174.600 -0.008 0.000 1.021 425 S CA 1.282 59.534 58.200 0.087 0.000 0.974 425 S CB -0.610 62.661 63.200 0.118 0.000 0.800 425 S HN 0.381 nan 8.310 nan 0.000 0.484 426 D N 0.963 121.395 120.400 0.053 0.000 2.117 426 D HA -0.087 4.553 4.640 0.000 0.000 0.198 426 D C 1.577 177.845 176.300 -0.054 0.000 0.982 426 D CA 1.038 55.046 54.000 0.013 0.000 0.828 426 D CB -0.504 40.321 40.800 0.042 0.000 0.967 426 D HN 0.694 nan 8.370 nan 0.000 0.464 427 W N 2.356 123.514 121.300 -0.237 0.000 2.342 427 W HA -0.180 4.480 4.660 0.000 0.000 0.297 427 W C 1.356 177.656 176.519 -0.364 0.000 1.213 427 W CA 0.982 58.109 57.345 -0.363 0.000 1.251 427 W CB 0.054 29.126 29.460 -0.648 0.000 1.136 427 W HN -0.013 nan 8.180 nan 0.000 0.526 428 E N 0.682 120.394 120.200 -0.813 0.000 2.204 428 E HA -0.194 4.156 4.350 0.000 0.000 0.194 428 E C 2.023 178.291 176.600 -0.554 0.000 0.989 428 E CA 1.167 57.065 56.400 -0.836 0.000 0.824 428 E CB -0.218 29.211 29.700 -0.453 0.000 0.756 428 E HN 0.435 nan 8.360 nan 0.000 0.477 429 K N 0.428 120.609 120.400 -0.364 0.000 2.062 429 K HA -0.083 4.237 4.320 0.000 0.000 0.205 429 K C 2.158 178.590 176.600 -0.280 0.000 1.051 429 K CA 0.489 56.629 56.287 -0.246 0.000 0.941 429 K CB -0.053 32.363 32.500 -0.141 0.000 0.719 429 K HN -0.003 nan 8.250 nan 0.000 0.440 430 L N 1.871 122.904 121.223 -0.317 0.000 2.027 430 L HA -0.200 4.140 4.340 0.000 0.000 0.206 430 L C 2.036 178.663 176.870 -0.406 0.000 1.074 430 L CA 1.835 56.523 54.840 -0.254 0.000 0.745 430 L CB -0.450 41.558 42.059 -0.086 0.000 0.898 430 L HN 0.147 nan 8.230 nan 0.000 0.433 431 D N -0.802 119.064 120.400 -0.891 0.000 2.116 431 D HA -0.242 4.398 4.640 0.000 0.000 0.193 431 D C 2.134 178.158 176.300 -0.461 0.000 0.998 431 D CA 1.548 54.972 54.000 -0.960 0.000 0.836 431 D CB -0.056 39.805 40.800 -1.565 0.000 0.951 431 D HN 0.362 nan 8.370 nan 0.000 0.449 432 A N -0.095 122.482 122.820 -0.405 0.000 1.940 432 A HA -0.196 4.124 4.320 0.000 0.000 0.219 432 A C 2.164 179.642 177.584 -0.177 0.000 1.176 432 A CA 2.045 53.935 52.037 -0.245 0.000 0.631 432 A CB -0.774 18.100 19.000 -0.211 0.000 0.814 432 A HN 0.324 nan 8.150 nan 0.000 0.446 433 E N 0.394 120.488 120.200 -0.177 0.000 2.072 433 E HA -0.147 4.203 4.350 0.000 0.000 0.191 433 E C 1.884 178.426 176.600 -0.096 0.000 0.985 433 E CA 1.688 58.018 56.400 -0.118 0.000 0.801 433 E CB -0.302 29.336 29.700 -0.104 0.000 0.750 433 E HN 0.707 nan 8.360 nan 0.000 0.452 434 E N -0.360 119.777 120.200 -0.106 0.000 2.106 434 E HA -0.122 4.228 4.350 0.000 0.000 0.192 434 E C 2.114 178.674 176.600 -0.067 0.000 0.984 434 E CA 1.235 57.596 56.400 -0.065 0.000 0.806 434 E CB 0.057 29.736 29.700 -0.035 0.000 0.750 434 E HN 0.153 nan 8.360 nan 0.000 0.458 435 V N 1.068 120.926 119.914 -0.093 0.000 2.515 435 V HA -0.217 3.903 4.120 0.000 0.000 0.250 435 V C 2.244 178.297 176.094 -0.068 0.000 1.058 435 V CA 1.641 63.893 62.300 -0.080 0.000 1.064 435 V CB -0.286 31.478 31.823 -0.099 0.000 0.675 435 V HN 0.183 nan 8.190 nan 0.000 0.461 436 S N -0.083 115.574 115.700 -0.072 0.000 2.355 436 S HA -0.149 4.321 4.470 0.000 0.000 0.222 436 S C 2.033 176.605 174.600 -0.048 0.000 1.031 436 S CA 1.258 59.423 58.200 -0.058 0.000 0.993 436 S CB -0.303 62.862 63.200 -0.059 0.000 0.859 436 S HN 0.553 nan 8.310 nan 0.000 0.453 437 R N 0.653 121.124 120.500 -0.047 0.000 2.241 437 R HA -0.030 4.310 4.340 0.000 0.000 0.224 437 R C 2.220 178.498 176.300 -0.037 0.000 1.101 437 R CA 1.000 57.077 56.100 -0.039 0.000 0.995 437 R CB -0.440 29.838 30.300 -0.036 0.000 0.870 437 R HN 0.449 nan 8.270 nan 0.000 0.463 438 G N 0.180 108.956 108.800 -0.041 0.000 2.683 438 G HA2 -0.132 3.828 3.960 0.000 0.000 0.213 438 G HA3 -0.132 3.828 3.960 0.000 0.000 0.213 438 G C 1.184 176.061 174.900 -0.038 0.000 1.142 438 G CA -0.239 44.837 45.100 -0.040 0.000 0.793 438 G HN 0.126 nan 8.290 nan 0.000 0.534 439 Q N 1.108 120.885 119.800 -0.039 0.000 1.948 439 Q HA -0.164 4.176 4.340 0.000 0.000 0.205 439 Q C 3.036 179.017 176.000 -0.031 0.000 0.992 439 Q CA 1.647 57.429 55.803 -0.036 0.000 0.849 439 Q CB -0.918 27.798 28.738 -0.036 0.000 0.918 439 Q HN 0.365 nan 8.270 nan 0.000 0.421 440 A N 1.754 124.556 122.820 -0.029 0.000 1.870 440 A HA -0.256 4.064 4.320 0.000 0.000 0.219 440 A C 2.286 179.855 177.584 -0.025 0.000 1.224 440 A CA 3.047 55.068 52.037 -0.026 0.000 0.650 440 A CB -1.019 17.967 19.000 -0.024 0.000 0.836 440 A HN 0.549 nan 8.150 nan 0.000 0.454 441 S N -1.511 114.173 115.700 -0.027 0.000 2.607 441 S HA 0.351 4.821 4.470 0.000 0.000 0.224 441 S C 1.399 175.981 174.600 -0.029 0.000 0.969 441 S CA 1.069 59.253 58.200 -0.027 0.000 0.927 441 S CB -0.548 62.634 63.200 -0.030 0.000 0.772 441 S HN 2.117 nan 8.310 nan 0.000 0.533 442 G N 1.022 109.803 108.800 -0.030 0.000 2.160 442 G HA2 -0.278 3.682 3.960 0.000 0.000 0.251 442 G HA3 -0.278 3.682 3.960 0.000 0.000 0.251 442 G C -0.132 174.747 174.900 -0.035 0.000 1.008 442 G CA 0.364 45.445 45.100 -0.032 0.000 0.724 442 G HN 0.611 nan 8.290 nan 0.000 0.514 443 K N -0.355 120.023 120.400 -0.037 0.000 2.095 443 K HA 0.488 4.808 4.320 0.000 0.000 0.252 443 K C -1.508 175.068 176.600 -0.040 0.000 0.977 443 K CA -1.999 54.264 56.287 -0.040 0.000 0.900 443 K CB 1.524 33.998 32.500 -0.043 0.000 1.060 443 K HN -0.132 nan 8.250 nan 0.000 0.449 444 P HA -0.178 nan 4.420 nan 0.000 0.218 444 P C -0.610 176.666 177.300 -0.041 0.000 1.148 444 P CA 1.349 64.425 63.100 -0.041 0.000 0.822 444 P CB 0.231 31.907 31.700 -0.040 0.000 0.784 445 R N -3.175 117.302 120.500 -0.038 0.000 2.741 445 R HA 0.554 4.895 4.340 0.000 0.000 0.276 445 R C -1.682 174.598 176.300 -0.033 0.000 1.028 445 R CA -0.845 55.234 56.100 -0.035 0.000 0.865 445 R CB 0.534 30.819 30.300 -0.024 0.000 1.268 445 R HN -0.386 nan 8.270 nan 0.000 0.475 446 E N 1.516 121.697 120.200 -0.031 0.000 2.402 446 E HA 0.290 4.640 4.350 0.000 0.000 0.244 446 E C -1.341 175.249 176.600 -0.016 0.000 0.945 446 E CA -0.601 55.782 56.400 -0.029 0.000 0.774 446 E CB 1.158 30.839 29.700 -0.032 0.000 1.296 446 E HN 0.450 nan 8.360 nan 0.000 0.414 447 K N 2.873 123.269 120.400 -0.007 0.000 2.524 447 K HA 0.080 4.400 4.320 0.000 0.000 0.279 447 K C -0.069 176.543 176.600 0.021 0.000 0.993 447 K CA 0.258 56.557 56.287 0.020 0.000 1.030 447 K CB 0.469 32.987 32.500 0.029 0.000 0.891 447 K HN 0.489 nan 8.250 nan 0.000 0.488 448 L N 5.010 126.257 121.223 0.040 0.000 2.281 448 L HA 0.104 4.444 4.340 0.000 0.000 0.285 448 L C 1.022 177.921 176.870 0.047 0.000 1.074 448 L CA -0.152 54.707 54.840 0.031 0.000 0.817 448 L CB 0.476 42.553 42.059 0.030 0.000 1.168 448 L HN 0.600 nan 8.230 nan 0.000 0.434 449 L N 0.974 122.215 121.223 0.030 0.000 2.537 449 L HA 0.194 4.534 4.340 0.000 0.000 0.224 449 L C 0.426 177.309 176.870 0.023 0.000 1.065 449 L CA 0.023 54.883 54.840 0.033 0.000 0.860 449 L CB 0.099 42.169 42.059 0.018 0.000 1.086 449 L HN 0.574 nan 8.230 nan 0.000 0.482 450 D N 1.189 121.598 120.400 0.015 0.000 2.338 450 D HA 0.095 4.735 4.640 0.000 0.000 0.255 450 D C -1.591 174.711 176.300 0.004 0.000 1.237 450 D CA -1.556 52.449 54.000 0.009 0.000 0.883 450 D CB 1.439 42.243 40.800 0.006 0.000 1.087 450 D HN -0.122 nan 8.370 nan 0.000 0.485 451 P HA -0.207 nan 4.420 nan 0.000 0.215 451 P C 1.025 178.316 177.300 -0.016 0.000 1.157 451 P CA 1.094 64.189 63.100 -0.008 0.000 0.874 451 P CB 0.255 31.949 31.700 -0.009 0.000 0.790 452 Q N -0.824 118.971 119.800 -0.009 0.000 2.224 452 Q HA -0.148 4.192 4.340 0.000 0.000 0.203 452 Q C 2.092 178.084 176.000 -0.014 0.000 0.970 452 Q CA 1.342 57.140 55.803 -0.009 0.000 0.865 452 Q CB -0.737 28.002 28.738 0.002 0.000 0.922 452 Q HN 0.431 nan 8.270 nan 0.000 0.445 453 E N -0.513 119.680 120.200 -0.012 0.000 2.112 453 E HA -0.127 4.223 4.350 0.000 0.000 0.190 453 E C 1.689 178.272 176.600 -0.028 0.000 0.979 453 E CA 0.691 57.082 56.400 -0.014 0.000 0.814 453 E CB 0.019 29.714 29.700 -0.008 0.000 0.762 453 E HN 0.323 nan 8.360 nan 0.000 0.460 454 M N 0.455 120.037 119.600 -0.030 0.000 2.108 454 M HA -0.183 4.298 4.480 0.000 0.000 0.261 454 M C 2.313 178.557 176.300 -0.093 0.000 1.066 454 M CA 1.377 56.650 55.300 -0.044 0.000 1.107 454 M CB -0.236 32.350 32.600 -0.024 0.000 1.356 454 M HN 0.205 nan 8.290 nan 0.000 0.406 455 L N -0.822 120.339 121.223 -0.103 0.000 2.093 455 L HA -0.154 4.186 4.340 0.000 0.000 0.208 455 L C 2.749 179.559 176.870 -0.099 0.000 1.085 455 L CA 0.997 55.744 54.840 -0.155 0.000 0.755 455 L CB -0.613 41.379 42.059 -0.111 0.000 0.904 455 L HN 0.305 nan 8.230 nan 0.000 0.435 456 R N 0.133 120.602 120.500 -0.051 0.000 2.081 456 R HA -0.170 4.170 4.340 0.000 0.000 0.235 456 R C 2.297 178.581 176.300 -0.025 0.000 1.131 456 R CA 1.201 57.287 56.100 -0.023 0.000 0.960 456 R CB -0.060 30.234 30.300 -0.010 0.000 0.856 456 R HN 0.237 nan 8.270 nan 0.000 0.436 457 L N 1.062 122.260 121.223 -0.042 0.000 1.956 457 L HA -0.222 4.118 4.340 0.000 0.000 0.216 457 L C 2.325 179.172 176.870 -0.038 0.000 1.073 457 L CA 1.756 56.571 54.840 -0.042 0.000 0.762 457 L CB -1.200 40.825 42.059 -0.057 0.000 0.889 457 L HN 0.322 nan 8.230 nan 0.000 0.433 458 L N -0.589 120.591 121.223 -0.072 0.000 2.651 458 L HA -0.082 4.258 4.340 0.000 0.000 0.236 458 L C 1.722 178.641 176.870 0.082 0.000 1.173 458 L CA 0.702 55.519 54.840 -0.040 0.000 0.843 458 L CB -0.906 41.009 42.059 -0.240 0.000 0.964 458 L HN 0.625 nan 8.230 nan 0.000 0.454 459 G N -1.631 107.190 108.800 0.036 0.000 2.253 459 G HA2 -0.306 3.654 3.960 0.000 0.000 0.251 459 G HA3 -0.306 3.654 3.960 0.000 0.000 0.251 459 G C 0.329 175.233 174.900 0.007 0.000 0.998 459 G CA 0.319 45.459 45.100 0.067 0.000 0.621 459 G HN 0.447 nan 8.290 nan 0.000 0.524 460 H N 0.000 118.790 119.070 -0.467 0.000 2.539 460 H HA 0.000 4.556 4.556 0.000 0.000 0.296 460 H CA 0.000 55.432 56.048 -1.027 0.000 1.023 460 H CB 0.000 29.096 29.762 -1.110 0.000 1.292 460 H HN 0.000 nan 8.280 nan 0.000 0.496