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 2b54_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFQKVEKI GEGTYGVVYK ARNKLTGEVV ALKKIRLDTE TEGVPSTAIR DATA SEQUENCE EISLLKELNH PNIVKLLDVI HTENKLYLVF EFLHQDLKKF MDASALTGIP DATA SEQUENCE LPLIKSYLFQ LLQGLAFCHS HRVLHRDLKP QNLLINTEGA IKLADFGLAR DATA SEQUENCE AFGVPVRTYT HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHLRL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.317 176.300 0.029 0.000 1.140 1 M CA 0.000 55.166 55.300 -0.224 0.000 0.988 1 M CB 0.000 32.326 32.600 -0.457 0.000 1.302 2 E N 2.866 123.071 120.200 0.008 0.000 2.418 2 E HA -0.165 nan 4.350 nan 0.000 0.197 2 E C 0.518 177.095 176.600 -0.038 0.000 1.026 2 E CA 1.972 58.371 56.400 -0.003 0.000 0.862 2 E CB -0.136 29.554 29.700 -0.017 0.000 0.799 2 E HN 0.639 8.981 8.360 -0.030 0.000 0.518 3 N N -0.681 117.984 118.700 -0.059 0.000 2.398 3 N HA 0.027 nan 4.740 nan 0.000 0.188 3 N C -1.587 173.530 175.510 -0.655 0.000 1.122 3 N CA 1.341 54.203 53.050 -0.313 0.000 0.866 3 N CB 0.497 38.737 38.487 -0.412 0.000 0.970 3 N HN -0.602 7.767 8.380 0.079 0.058 0.462 4 F N -0.742 119.154 119.950 -0.089 0.000 2.445 4 F HA 0.307 nan 4.527 nan 0.000 0.348 4 F C -1.158 174.591 175.800 -0.084 0.000 1.125 4 F CA -1.312 56.638 58.000 -0.083 0.000 0.983 4 F CB 1.445 40.391 39.000 -0.090 0.000 1.198 4 F HN -0.573 7.728 8.300 0.112 0.065 0.436 5 Q N 5.793 125.595 119.800 0.003 0.000 2.300 5 Q HA -0.069 nan 4.340 nan 0.000 0.262 5 Q C -0.160 175.851 176.000 0.017 0.000 1.109 5 Q CA -0.215 55.584 55.803 -0.006 0.000 0.905 5 Q CB 0.206 28.922 28.738 -0.037 0.000 1.280 5 Q HN 0.818 9.062 8.270 -0.045 0.000 0.426 6 K N 4.484 124.871 120.400 -0.023 0.000 2.368 6 K HA -0.112 nan 4.320 nan 0.000 0.282 6 K C -0.981 175.587 176.600 -0.053 0.000 1.035 6 K CA 1.379 57.624 56.287 -0.070 0.000 0.973 6 K CB -0.059 32.296 32.500 -0.243 0.000 0.957 6 K HN 0.326 8.546 8.250 -0.051 0.000 0.474 7 V N 5.214 125.114 119.914 -0.023 0.000 2.627 7 V HA 0.128 nan 4.120 nan 0.000 0.239 7 V C -0.326 175.783 176.094 0.026 0.000 1.077 7 V CA 1.403 63.694 62.300 -0.015 0.000 1.103 7 V CB 1.558 33.352 31.823 -0.049 0.000 0.802 7 V HN 0.677 8.759 8.190 -0.002 0.107 0.482 8 E N -3.066 117.190 120.200 0.093 0.000 2.380 8 E HA 0.151 nan 4.350 nan 0.000 0.281 8 E C -2.134 174.676 176.600 0.350 0.000 0.999 8 E CA -1.070 55.431 56.400 0.168 0.000 0.800 8 E CB 3.545 33.311 29.700 0.110 0.000 1.228 8 E HN -0.356 8.069 8.360 0.108 0.000 0.436 9 K N 4.927 125.551 120.400 0.372 0.000 2.416 9 K HA 0.063 nan 4.320 nan 0.000 0.283 9 K C -0.560 176.085 176.600 0.075 0.000 1.037 9 K CA 1.339 57.737 56.287 0.186 0.000 0.995 9 K CB -0.318 32.225 32.500 0.073 0.000 0.938 9 K HN 0.213 8.618 8.250 0.258 0.000 0.475 10 I N -1.219 119.363 120.570 0.020 0.000 3.941 10 I HA 0.437 nan 4.170 nan 0.000 0.335 10 I C -0.385 175.736 176.117 0.008 0.000 1.402 10 I CA -0.819 60.520 61.300 0.065 0.000 1.112 10 I CB -0.052 38.047 38.000 0.165 0.000 1.043 10 I HN 0.565 8.624 8.210 -0.065 0.113 0.395 11 G N 0.900 109.670 108.800 -0.050 0.000 2.397 11 G HA2 -0.222 nan 3.960 nan 0.000 0.453 11 G HA3 -0.222 nan 3.960 nan 0.000 0.453 11 G C -2.846 172.009 174.900 -0.076 0.000 1.579 11 G CA -0.396 44.675 45.100 -0.049 0.000 0.906 11 G HN -0.646 7.545 8.290 -0.125 0.024 0.675 12 E N 2.043 122.214 120.200 -0.048 0.000 2.290 12 E HA 0.151 nan 4.350 nan 0.000 0.277 12 E C -0.188 176.412 176.600 -0.000 0.000 1.035 12 E CA -1.075 55.321 56.400 -0.006 0.000 0.873 12 E CB 0.334 30.046 29.700 0.021 0.000 1.029 12 E HN 0.247 8.586 8.360 -0.036 0.000 0.419 13 G N 5.670 114.461 108.800 -0.015 0.000 3.446 13 G HA2 0.354 nan 3.960 nan 0.000 0.314 13 G HA3 0.354 nan 3.960 nan 0.000 0.314 13 G C -1.236 173.603 174.900 -0.101 0.000 1.539 13 G CA 0.048 45.114 45.100 -0.056 0.000 0.848 13 G HN -0.124 8.128 8.290 -0.063 0.000 0.488 14 T N 5.226 119.690 114.554 -0.149 0.000 13.716 14 T HA -0.544 nan 4.350 nan 0.000 0.419 14 T C 1.406 175.762 174.700 -0.575 0.000 1.441 14 T CA 3.441 65.336 62.100 -0.342 0.000 2.346 14 T CB -1.247 67.413 68.868 -0.347 0.000 2.783 14 T HN -0.026 8.173 8.240 -0.069 0.000 0.472 15 Y N 4.740 124.853 120.300 -0.310 0.000 2.749 15 Y HA -0.270 nan 4.550 nan 0.000 0.321 15 Y C -0.359 175.267 175.900 -0.456 0.000 1.195 15 Y CA 0.594 58.431 58.100 -0.437 0.000 1.338 15 Y CB -0.790 37.353 38.460 -0.529 0.000 1.017 15 Y HN -0.139 8.006 8.280 -0.139 0.052 0.517 16 G N -4.799 103.809 108.800 -0.319 0.000 2.354 16 G HA2 -0.283 nan 3.960 nan 0.000 0.582 16 G HA3 -0.283 nan 3.960 nan 0.000 0.582 16 G C -2.267 172.569 174.900 -0.107 0.000 1.316 16 G CA -1.094 43.860 45.100 -0.243 0.000 0.995 16 G HN -0.858 7.200 8.290 -0.344 0.026 0.573 17 V N -1.046 118.827 119.914 -0.069 0.000 2.649 17 V HA 0.556 nan 4.120 nan 0.000 0.292 17 V C -1.793 174.172 176.094 -0.214 0.000 1.055 17 V CA -1.051 61.161 62.300 -0.147 0.000 1.023 17 V CB 1.629 33.345 31.823 -0.178 0.000 0.992 17 V HN 0.042 8.214 8.190 -0.031 0.000 0.480 18 V N 7.406 127.149 119.914 -0.285 0.000 2.483 18 V HA 0.818 nan 4.120 nan 0.000 0.297 18 V C -1.972 173.964 176.094 -0.264 0.000 1.027 18 V CA -2.560 59.649 62.300 -0.152 0.000 0.855 18 V CB 2.340 34.145 31.823 -0.031 0.000 0.995 18 V HN -0.203 7.811 8.190 -0.294 0.000 0.424 19 Y N 8.132 128.488 120.300 0.094 0.000 2.387 19 Y HA 0.528 nan 4.550 nan 0.000 0.330 19 Y C -1.383 174.562 175.900 0.074 0.000 1.133 19 Y CA -1.999 56.146 58.100 0.076 0.000 1.152 19 Y CB 3.701 42.192 38.460 0.052 0.000 1.215 19 Y HN 0.916 9.174 8.280 0.139 0.105 0.466 20 K N 2.097 122.618 120.400 0.201 0.000 2.298 20 K HA 0.325 nan 4.320 nan 0.000 0.280 20 K C -1.734 174.855 176.600 -0.018 0.000 1.032 20 K CA 0.090 56.342 56.287 -0.059 0.000 0.958 20 K CB 1.231 33.557 32.500 -0.291 0.000 0.978 20 K HN 0.883 9.164 8.250 0.233 0.110 0.472 21 A N 4.989 127.782 122.820 -0.046 0.000 2.527 21 A HA 0.815 nan 4.320 nan 0.000 0.293 21 A C -2.838 174.786 177.584 0.066 0.000 1.117 21 A CA -1.644 50.433 52.037 0.067 0.000 0.723 21 A CB 4.311 23.421 19.000 0.182 0.000 1.313 21 A HN 0.762 8.841 8.150 -0.118 0.000 0.411 22 R N -1.182 119.376 120.500 0.096 0.000 2.670 22 R HA 0.704 nan 4.340 nan 0.000 0.289 22 R C -2.066 174.221 176.300 -0.022 0.000 0.965 22 R CA -1.872 54.252 56.100 0.039 0.000 0.899 22 R CB 3.748 34.031 30.300 -0.027 0.000 1.173 22 R HN 0.828 9.028 8.270 0.099 0.130 0.456 23 N N 3.331 121.961 118.700 -0.117 0.000 2.473 23 N HA 0.396 nan 4.740 nan 0.000 0.291 23 N C 0.539 175.865 175.510 -0.306 0.000 1.083 23 N CA -1.245 51.529 53.050 -0.461 0.000 0.951 23 N CB 2.169 40.445 38.487 -0.351 0.000 1.164 23 N HN 0.727 8.993 8.380 -0.008 0.109 0.480 24 K N 6.330 126.515 120.400 -0.358 0.000 2.211 24 K HA -0.080 nan 4.320 nan 0.000 0.201 24 K C 1.434 177.936 176.600 -0.163 0.000 1.052 24 K CA 2.687 58.848 56.287 -0.211 0.000 0.973 24 K CB 0.314 32.698 32.500 -0.193 0.000 0.766 24 K HN 0.771 8.555 8.250 -0.622 0.092 0.466 25 L N -1.932 119.178 121.223 -0.188 0.000 2.005 25 L HA -0.221 nan 4.340 nan 0.000 0.207 25 L C 1.712 178.527 176.870 -0.093 0.000 1.072 25 L CA 2.762 57.528 54.840 -0.124 0.000 0.744 25 L CB -1.732 40.261 42.059 -0.110 0.000 0.895 25 L HN 0.225 8.587 8.230 -0.346 -0.339 0.433 26 T N -6.375 108.119 114.554 -0.099 0.000 2.812 26 T HA -0.121 nan 4.350 nan 0.000 0.264 26 T C 1.460 176.131 174.700 -0.049 0.000 1.042 26 T CA 0.321 62.386 62.100 -0.058 0.000 1.140 26 T CB 0.544 69.392 68.868 -0.033 0.000 0.870 26 T HN -0.583 7.615 8.240 -0.179 -0.066 0.445 27 G N 2.403 111.163 108.800 -0.067 0.000 2.137 27 G HA2 -0.486 nan 3.960 nan 0.000 0.237 27 G HA3 -0.486 nan 3.960 nan 0.000 0.237 27 G C -1.502 173.386 174.900 -0.021 0.000 1.002 27 G CA 0.056 45.129 45.100 -0.046 0.000 0.702 27 G HN 0.194 8.297 8.290 -0.102 0.127 0.515 28 E N -0.569 119.625 120.200 -0.011 0.000 2.242 28 E HA 0.216 nan 4.350 nan 0.000 0.275 28 E C -1.060 175.559 176.600 0.031 0.000 1.002 28 E CA -1.693 54.721 56.400 0.024 0.000 0.841 28 E CB 2.053 31.782 29.700 0.049 0.000 1.109 28 E HN -0.608 7.735 8.360 -0.029 0.000 0.394 29 V N 4.539 124.466 119.914 0.022 0.000 2.408 29 V HA 0.469 nan 4.120 nan 0.000 0.267 29 V C -1.114 174.992 176.094 0.021 0.000 1.047 29 V CA 0.013 62.295 62.300 -0.030 0.000 0.937 29 V CB 0.137 31.913 31.823 -0.078 0.000 0.999 29 V HN 0.367 8.575 8.190 0.029 0.000 0.472 30 V N 2.425 122.358 119.914 0.030 0.000 3.141 30 V HA 0.903 nan 4.120 nan 0.000 0.312 30 V C -2.349 173.847 176.094 0.170 0.000 1.157 30 V CA -3.106 59.286 62.300 0.153 0.000 1.041 30 V CB 4.679 36.608 31.823 0.176 0.000 1.071 30 V HN 0.792 8.851 8.190 -0.058 0.097 0.441 31 A N 0.218 123.245 122.820 0.346 0.000 2.260 31 A HA 0.842 nan 4.320 nan 0.000 0.314 31 A C -2.219 175.513 177.584 0.246 0.000 1.257 31 A CA -1.866 50.382 52.037 0.352 0.000 0.871 31 A CB 1.160 20.422 19.000 0.437 0.000 1.166 31 A HN 0.794 9.036 8.150 0.323 0.102 0.522 32 L N 4.072 125.393 121.223 0.163 0.000 2.265 32 L HA 0.532 nan 4.340 nan 0.000 0.289 32 L C -1.913 175.063 176.870 0.177 0.000 1.033 32 L CA -0.982 53.907 54.840 0.081 0.000 0.814 32 L CB 1.584 43.648 42.059 0.008 0.000 1.203 32 L HN 0.212 8.564 8.230 0.203 0.000 0.423 33 K N 7.315 127.826 120.400 0.185 0.000 2.263 33 K HA 0.304 nan 4.320 nan 0.000 0.272 33 K C -1.600 175.067 176.600 0.111 0.000 1.033 33 K CA -1.296 55.087 56.287 0.160 0.000 0.884 33 K CB 1.324 33.984 32.500 0.266 0.000 1.107 33 K HN 1.117 9.375 8.250 0.187 0.104 0.460 34 K N 6.932 127.372 120.400 0.067 0.000 2.262 34 K HA 0.311 nan 4.320 nan 0.000 0.282 34 K C -0.610 175.904 176.600 -0.143 0.000 1.066 34 K CA -0.547 55.704 56.287 -0.060 0.000 0.901 34 K CB 0.675 33.178 32.500 0.006 0.000 1.089 34 K HN 0.632 8.910 8.250 0.047 0.000 0.476 35 I N 5.479 125.916 120.570 -0.222 0.000 2.371 35 I HA -0.018 nan 4.170 nan 0.000 0.290 35 I C 0.046 176.029 176.117 -0.224 0.000 1.028 35 I CA -1.722 59.423 61.300 -0.257 0.000 1.345 35 I CB -0.605 37.201 38.000 -0.324 0.000 1.407 35 I HN 0.491 8.523 8.210 -0.297 0.000 0.501 36 R N 8.693 129.049 120.500 -0.241 0.000 2.640 36 R HA -0.078 nan 4.340 nan 0.000 0.270 36 R C -0.599 175.640 176.300 -0.102 0.000 1.024 36 R CA -0.511 55.469 56.100 -0.199 0.000 1.085 36 R CB 0.207 30.268 30.300 -0.398 0.000 0.963 36 R HN 0.851 8.842 8.270 -0.289 0.106 0.426 37 L N -1.214 119.988 121.223 -0.034 0.000 2.667 37 L HA -0.176 nan 4.340 nan 0.000 0.278 37 L C 0.226 177.107 176.870 0.018 0.000 1.217 37 L CA 0.578 55.419 54.840 0.003 0.000 0.935 37 L CB -1.598 40.479 42.059 0.030 0.000 1.193 37 L HN 0.260 8.462 8.230 -0.047 0.000 0.493 38 D N 0.863 121.279 120.400 0.027 0.000 3.142 38 D HA -0.427 nan 4.640 nan 0.000 0.221 38 D C -0.962 175.373 176.300 0.057 0.000 1.193 38 D CA 1.442 55.469 54.000 0.046 0.000 0.900 38 D CB -0.466 40.360 40.800 0.044 0.000 0.886 38 D HN 0.359 8.771 8.370 0.021 -0.029 0.399 39 T N 1.189 115.797 114.554 0.089 0.000 2.891 39 T HA 0.187 nan 4.350 nan 0.000 0.315 39 T C -1.296 173.441 174.700 0.061 0.000 1.054 39 T CA -0.525 61.655 62.100 0.134 0.000 0.958 39 T CB 0.110 69.201 68.868 0.373 0.000 1.008 39 T HN 0.088 8.392 8.240 0.106 0.000 0.521 40 E N 4.819 125.040 120.200 0.035 0.000 3.072 40 E HA 0.003 nan 4.350 nan 0.000 0.281 40 E C -1.051 175.566 176.600 0.030 0.000 1.161 40 E CA 1.224 57.626 56.400 0.002 0.000 2.012 40 E CB 1.255 30.921 29.700 -0.057 0.000 2.263 40 E HN 0.257 8.657 8.360 0.057 -0.006 1.016 41 T N -0.914 113.657 114.554 0.027 0.000 2.906 41 T HA -0.128 nan 4.350 nan 0.000 0.320 41 T C 0.915 175.643 174.700 0.047 0.000 1.088 41 T CA 0.829 62.955 62.100 0.042 0.000 1.120 41 T CB 0.229 69.118 68.868 0.036 0.000 1.000 41 T HN 0.056 8.417 8.240 0.018 -0.111 0.550 42 E N 1.343 121.573 120.200 0.050 0.000 2.526 42 E HA -0.141 nan 4.350 nan 0.000 0.198 42 E C 0.260 176.903 176.600 0.072 0.000 1.091 42 E CA -0.191 56.241 56.400 0.053 0.000 0.880 42 E CB -0.181 29.546 29.700 0.044 0.000 0.873 42 E HN 0.190 8.576 8.360 0.044 0.000 0.527 43 G N -3.081 105.779 108.800 0.099 0.000 3.014 43 G HA2 -0.235 nan 3.960 nan 0.000 0.683 43 G HA3 -0.235 nan 3.960 nan 0.000 0.683 43 G C -1.834 173.118 174.900 0.086 0.000 1.271 43 G CA -0.719 44.466 45.100 0.142 0.000 0.843 43 G HN -0.712 7.505 8.290 0.079 0.120 0.612 44 V N -0.567 119.374 119.914 0.045 0.000 2.614 44 V HA 0.291 nan 4.120 nan 0.000 0.291 44 V C -1.717 174.348 176.094 -0.048 0.000 1.049 44 V CA -3.353 58.909 62.300 -0.063 0.000 1.038 44 V CB -0.025 31.672 31.823 -0.210 0.000 0.980 44 V HN -0.365 7.986 8.190 0.268 0.000 0.481 45 P HA 0.086 nan 4.420 nan 0.000 0.259 45 P C 1.024 178.286 177.300 -0.064 0.000 1.163 45 P CA 0.337 63.415 63.100 -0.037 0.000 0.760 45 P CB 0.551 32.225 31.700 -0.044 0.000 0.762 46 S N 4.151 119.830 115.700 -0.034 0.000 2.423 46 S HA -0.410 nan 4.470 nan 0.000 0.238 46 S C 1.596 176.162 174.600 -0.057 0.000 1.028 46 S CA 3.093 61.274 58.200 -0.031 0.000 1.000 46 S CB -0.158 63.037 63.200 -0.009 0.000 0.797 46 S HN 0.469 8.770 8.310 -0.014 0.000 0.487 47 T N -1.541 112.970 114.554 -0.071 0.000 2.894 47 T HA -0.011 nan 4.350 nan 0.000 0.258 47 T C 1.789 176.397 174.700 -0.153 0.000 1.043 47 T CA 1.958 64.001 62.100 -0.094 0.000 1.141 47 T CB -0.529 68.290 68.868 -0.082 0.000 0.873 47 T HN 0.111 8.337 8.240 -0.056 -0.020 0.449 48 A N 2.285 124.993 122.820 -0.186 0.000 1.865 48 A HA -0.172 nan 4.320 nan 0.000 0.217 48 A C 1.820 179.254 177.584 -0.250 0.000 1.191 48 A CA 2.785 54.637 52.037 -0.309 0.000 0.623 48 A CB -0.898 17.917 19.000 -0.308 0.000 0.826 48 A HN -0.114 7.875 8.150 -0.144 0.075 0.444 49 I N -1.878 118.584 120.570 -0.180 0.000 2.264 49 I HA -0.504 nan 4.170 nan 0.000 0.248 49 I C 1.349 177.410 176.117 -0.094 0.000 1.111 49 I CA 2.785 64.001 61.300 -0.140 0.000 1.382 49 I CB 0.045 37.948 38.000 -0.162 0.000 1.060 49 I HN -0.195 7.887 8.210 -0.167 0.027 0.418 50 R N -1.246 119.201 120.500 -0.088 0.000 2.073 50 R HA -0.319 nan 4.340 nan 0.000 0.229 50 R C 2.623 178.878 176.300 -0.074 0.000 1.120 50 R CA 3.707 59.769 56.100 -0.063 0.000 0.967 50 R CB -0.317 29.953 30.300 -0.049 0.000 0.862 50 R HN -0.617 7.524 8.270 -0.093 0.073 0.436 51 E N -0.312 119.822 120.200 -0.111 0.000 2.051 51 E HA -0.274 nan 4.350 nan 0.000 0.192 51 E C 2.491 179.029 176.600 -0.103 0.000 0.991 51 E CA 2.451 58.782 56.400 -0.115 0.000 0.799 51 E CB -0.472 29.132 29.700 -0.160 0.000 0.748 51 E HN -0.079 8.199 8.360 -0.136 0.000 0.449 52 I N -0.456 120.036 120.570 -0.131 0.000 2.335 52 I HA -0.426 nan 4.170 nan 0.000 0.251 52 I C 1.459 177.556 176.117 -0.033 0.000 1.129 52 I CA 2.973 64.233 61.300 -0.068 0.000 1.402 52 I CB 0.135 38.107 38.000 -0.046 0.000 1.069 52 I HN 0.160 8.262 8.210 -0.180 0.000 0.424 53 S N -1.611 114.065 115.700 -0.039 0.000 2.447 53 S HA -0.224 nan 4.470 nan 0.000 0.233 53 S C 0.958 175.546 174.600 -0.019 0.000 1.006 53 S CA 3.062 61.249 58.200 -0.023 0.000 0.957 53 S CB -0.307 62.883 63.200 -0.017 0.000 0.773 53 S HN -0.335 7.820 8.310 -0.057 0.120 0.507 54 L N -0.971 120.236 121.223 -0.027 0.000 2.072 54 L HA -0.159 nan 4.340 nan 0.000 0.205 54 L C 1.876 178.731 176.870 -0.025 0.000 1.079 54 L CA 2.230 57.053 54.840 -0.027 0.000 0.752 54 L CB -0.239 41.800 42.059 -0.033 0.000 0.906 54 L HN -0.531 7.559 8.230 -0.040 0.116 0.436 55 L N -0.693 120.523 121.223 -0.012 0.000 2.103 55 L HA -0.441 nan 4.340 nan 0.000 0.215 55 L C 2.804 179.686 176.870 0.019 0.000 1.080 55 L CA 2.766 57.615 54.840 0.014 0.000 0.764 55 L CB -1.840 40.255 42.059 0.060 0.000 0.890 55 L HN -0.503 7.717 8.230 -0.017 0.000 0.435 56 K N -1.978 118.425 120.400 0.006 0.000 2.362 56 K HA -0.398 nan 4.320 nan 0.000 0.202 56 K C 1.669 178.273 176.600 0.006 0.000 1.045 56 K CA 2.761 59.049 56.287 0.002 0.000 0.936 56 K CB -0.262 32.233 32.500 -0.009 0.000 0.747 56 K HN -0.693 7.538 8.250 -0.001 0.018 0.467 57 E N -3.804 116.396 120.200 -0.001 0.000 2.244 57 E HA 0.032 nan 4.350 nan 0.000 0.196 57 E C 0.994 177.600 176.600 0.011 0.000 0.939 57 E CA 0.232 56.632 56.400 -0.000 0.000 0.884 57 E CB 0.916 30.608 29.700 -0.012 0.000 0.850 57 E HN -0.240 7.938 8.360 -0.010 0.176 0.481 58 L N 1.801 123.016 121.223 -0.013 0.000 2.546 58 L HA -0.168 nan 4.340 nan 0.000 0.272 58 L C -1.289 175.683 176.870 0.170 0.000 1.327 58 L CA 0.418 55.276 54.840 0.031 0.000 1.199 58 L CB -1.847 40.150 42.059 -0.103 0.000 1.401 58 L HN -0.492 7.568 8.230 0.001 0.171 0.440 59 N N 2.603 121.400 118.700 0.162 0.000 2.408 59 N HA 0.238 nan 4.740 nan 0.000 0.280 59 N C -1.913 173.457 175.510 -0.233 0.000 1.002 59 N CA -0.678 52.377 53.050 0.010 0.000 0.907 59 N CB 1.894 40.374 38.487 -0.012 0.000 1.161 59 N HN -0.471 8.048 8.380 0.232 0.000 0.488 60 H N 5.712 124.524 119.070 -0.430 0.000 2.996 60 H HA 0.390 nan 4.556 nan 0.000 0.368 60 H C -1.231 173.897 175.328 -0.332 0.000 1.185 60 H CA -1.389 54.253 56.048 -0.677 0.000 1.160 60 H CB 2.749 31.902 29.762 -1.014 0.000 1.820 60 H HN 0.141 8.354 8.280 -0.112 0.000 0.547 61 P HA -0.219 nan 4.420 nan 0.000 0.217 61 P C -0.409 176.860 177.300 -0.051 0.000 1.148 61 P CA 1.964 64.895 63.100 -0.282 0.000 0.828 61 P CB 0.594 32.081 31.700 -0.354 0.000 0.783 62 N N -3.059 115.767 118.700 0.211 0.000 2.238 62 N HA 0.131 nan 4.740 nan 0.000 0.222 62 N C -1.590 173.971 175.510 0.084 0.000 1.133 62 N CA -0.085 53.043 53.050 0.129 0.000 0.854 62 N CB 1.008 39.550 38.487 0.092 0.000 1.041 62 N HN -0.082 8.588 8.380 0.587 0.063 0.510 63 I N -0.893 119.729 120.570 0.087 0.000 2.441 63 I HA 0.351 nan 4.170 nan 0.000 0.295 63 I C -1.002 175.165 176.117 0.082 0.000 0.994 63 I CA -0.826 60.530 61.300 0.092 0.000 1.144 63 I CB 2.436 40.483 38.000 0.078 0.000 1.314 63 I HN -0.437 7.627 8.210 0.081 0.194 0.445 64 V N 6.217 126.189 119.914 0.096 0.000 2.529 64 V HA -0.073 nan 4.120 nan 0.000 0.292 64 V C -1.179 175.031 176.094 0.195 0.000 1.028 64 V CA -0.830 61.534 62.300 0.106 0.000 1.074 64 V CB -0.169 31.684 31.823 0.050 0.000 0.958 64 V HN -0.045 8.209 8.190 0.106 0.000 0.481 65 K N 8.159 128.655 120.400 0.159 0.000 2.451 65 K HA -0.107 nan 4.320 nan 0.000 0.280 65 K C -0.624 176.106 176.600 0.217 0.000 1.020 65 K CA 0.044 56.422 56.287 0.152 0.000 1.008 65 K CB 0.969 33.519 32.500 0.083 0.000 0.917 65 K HN -0.093 8.543 8.250 0.124 -0.312 0.478 66 L N 5.731 127.038 121.223 0.141 0.000 2.363 66 L HA -0.034 nan 4.340 nan 0.000 0.286 66 L C -0.356 176.445 176.870 -0.115 0.000 1.106 66 L CA 0.372 55.159 54.840 -0.089 0.000 0.859 66 L CB -0.397 41.640 42.059 -0.037 0.000 1.223 66 L HN 0.490 8.805 8.230 0.141 0.000 0.446 67 L N 5.272 126.404 121.223 -0.152 0.000 2.084 67 L HA 0.007 nan 4.340 nan 0.000 0.202 67 L C 0.555 177.389 176.870 -0.059 0.000 1.074 67 L CA 1.682 56.488 54.840 -0.056 0.000 0.757 67 L CB 0.605 42.662 42.059 -0.003 0.000 0.918 67 L HN 0.756 8.758 8.230 -0.227 0.091 0.444 68 D N -4.171 116.166 120.400 -0.106 0.000 2.652 68 D HA 0.210 nan 4.640 nan 0.000 0.285 68 D C -2.057 174.168 176.300 -0.126 0.000 1.173 68 D CA -0.746 53.207 54.000 -0.078 0.000 0.981 68 D CB 3.878 44.672 40.800 -0.010 0.000 1.440 68 D HN -0.052 8.078 8.370 -0.213 0.112 0.485 69 V N -2.455 117.429 119.914 -0.049 0.000 2.558 69 V HA 0.421 nan 4.120 nan 0.000 0.261 69 V C -0.266 175.864 176.094 0.060 0.000 0.958 69 V CA -1.242 61.056 62.300 -0.004 0.000 0.852 69 V CB -0.019 31.810 31.823 0.009 0.000 1.067 69 V HN 0.307 8.482 8.190 -0.025 0.000 0.468 70 I N 5.575 126.190 120.570 0.074 0.000 2.389 70 I HA -0.003 nan 4.170 nan 0.000 0.295 70 I C -1.030 175.236 176.117 0.248 0.000 1.117 70 I CA 0.214 61.583 61.300 0.115 0.000 1.317 70 I CB -0.580 37.430 38.000 0.016 0.000 1.431 70 I HN 0.757 8.900 8.210 0.066 0.107 0.521 71 H N 9.545 128.671 119.070 0.093 0.000 2.741 71 H HA 0.290 nan 4.556 nan 0.000 0.282 71 H C -1.413 173.973 175.328 0.096 0.000 1.122 71 H CA -0.897 55.213 56.048 0.103 0.000 1.293 71 H CB 0.508 30.310 29.762 0.067 0.000 1.415 71 H HN 0.010 8.439 8.280 0.249 0.000 0.472 72 T N 7.493 122.127 114.554 0.133 0.000 2.957 72 T HA 0.235 nan 4.350 nan 0.000 0.336 72 T C -1.291 173.473 174.700 0.106 0.000 1.462 72 T CA 0.510 62.622 62.100 0.019 0.000 1.073 72 T CB 2.043 70.937 68.868 0.043 0.000 1.319 72 T HN -0.048 8.407 8.240 0.360 0.000 0.485 73 E N 4.930 125.150 120.200 0.034 0.000 3.170 73 E HA -0.450 nan 4.350 nan 0.000 0.284 73 E C -0.750 175.893 176.600 0.073 0.000 0.967 73 E CA 1.003 57.442 56.400 0.064 0.000 0.919 73 E CB -0.997 28.771 29.700 0.112 0.000 1.469 73 E HN 0.620 8.965 8.360 -0.025 0.000 0.444 74 N N -8.978 109.758 118.700 0.060 0.000 2.713 74 N HA -0.395 nan 4.740 nan 0.000 0.251 74 N C -1.312 174.295 175.510 0.161 0.000 1.117 74 N CA 1.587 54.721 53.050 0.140 0.000 0.770 74 N CB -0.588 37.960 38.487 0.101 0.000 1.137 74 N HN 0.376 8.673 8.380 -0.045 0.055 0.566 75 K N -3.326 117.176 120.400 0.170 0.000 2.106 75 K HA 0.218 nan 4.320 nan 0.000 0.246 75 K C -1.650 175.028 176.600 0.129 0.000 0.987 75 K CA -2.252 54.074 56.287 0.064 0.000 0.904 75 K CB 1.399 33.885 32.500 -0.022 0.000 1.071 75 K HN -0.345 7.928 8.250 0.228 0.113 0.453 76 L N 0.707 121.851 121.223 -0.132 0.000 2.376 76 L HA 0.544 nan 4.340 nan 0.000 0.275 76 L C -2.395 174.401 176.870 -0.123 0.000 0.987 76 L CA -0.685 54.151 54.840 -0.008 0.000 0.828 76 L CB 2.890 44.946 42.059 -0.005 0.000 1.249 76 L HN -0.209 8.006 8.230 -0.280 -0.153 0.409 77 Y N 3.257 123.567 120.300 0.016 0.000 2.457 77 Y HA 0.518 nan 4.550 nan 0.000 0.343 77 Y C -1.931 173.913 175.900 -0.093 0.000 0.994 77 Y CA -2.328 55.749 58.100 -0.038 0.000 1.031 77 Y CB 3.766 42.184 38.460 -0.070 0.000 1.246 77 Y HN 0.332 8.841 8.280 0.381 0.000 0.449 78 L N 2.422 123.679 121.223 0.056 0.000 2.362 78 L HA 0.738 nan 4.340 nan 0.000 0.275 78 L C -1.994 174.687 176.870 -0.315 0.000 0.998 78 L CA -0.951 53.787 54.840 -0.170 0.000 0.820 78 L CB 3.144 45.120 42.059 -0.139 0.000 1.270 78 L HN 0.473 8.760 8.230 0.095 0.000 0.415 79 V N 2.885 122.527 119.914 -0.453 0.000 2.349 79 V HA 0.775 nan 4.120 nan 0.000 0.284 79 V C -1.709 174.140 176.094 -0.407 0.000 1.014 79 V CA -2.620 59.482 62.300 -0.330 0.000 0.826 79 V CB 0.763 32.424 31.823 -0.271 0.000 1.009 79 V HN 0.886 8.700 8.190 -0.484 0.086 0.431 80 F N 7.645 127.621 119.950 0.043 0.000 2.408 80 F HA 0.633 nan 4.527 nan 0.000 0.325 80 F C -0.559 175.294 175.800 0.089 0.000 1.082 80 F CA -1.596 56.440 58.000 0.060 0.000 1.032 80 F CB 3.549 42.581 39.000 0.053 0.000 1.259 80 F HN 1.230 9.467 8.300 0.099 0.123 0.503 81 E N -0.220 120.155 120.200 0.292 0.000 2.398 81 E HA -0.036 nan 4.350 nan 0.000 0.263 81 E C -1.155 175.589 176.600 0.240 0.000 1.046 81 E CA -0.261 56.271 56.400 0.220 0.000 0.908 81 E CB 0.616 30.403 29.700 0.145 0.000 0.963 81 E HN 0.252 8.781 8.360 0.282 0.000 0.431 82 F N 3.317 123.298 119.950 0.052 0.000 2.412 82 F HA -0.048 nan 4.527 nan 0.000 0.348 82 F C -1.274 174.493 175.800 -0.055 0.000 1.102 82 F CA 0.708 58.700 58.000 -0.013 0.000 1.196 82 F CB 0.968 39.932 39.000 -0.061 0.000 1.144 82 F HN 0.190 8.676 8.300 0.311 0.000 0.541 83 L N 5.309 125.978 121.223 -0.924 0.000 2.362 83 L HA 0.301 nan 4.340 nan 0.000 0.271 83 L C -0.389 175.896 176.870 -0.975 0.000 1.002 83 L CA -0.915 53.502 54.840 -0.705 0.000 0.818 83 L CB 2.879 44.724 42.059 -0.357 0.000 1.298 83 L HN 0.000 7.302 8.230 -1.547 0.000 0.420 84 H N 1.147 119.982 119.070 -0.392 0.000 2.389 84 H HA -0.094 nan 4.556 nan 0.000 0.299 84 H C -0.633 174.595 175.328 -0.166 0.000 1.081 84 H CA 2.438 58.374 56.048 -0.187 0.000 1.345 84 H CB 0.736 30.509 29.762 0.018 0.000 1.393 84 H HN 0.670 8.956 8.280 0.010 0.000 0.520 85 Q N -1.391 118.369 119.800 -0.067 0.000 2.397 85 Q HA 0.256 nan 4.340 nan 0.000 0.275 85 Q C -2.270 173.665 176.000 -0.109 0.000 1.090 85 Q CA -1.628 54.138 55.803 -0.061 0.000 0.809 85 Q CB 3.599 32.316 28.738 -0.036 0.000 1.362 85 Q HN -0.777 7.429 8.270 -0.108 0.000 0.431 86 D N 0.821 121.181 120.400 -0.067 0.000 2.388 86 D HA 0.324 nan 4.640 nan 0.000 0.254 86 D C 0.057 176.351 176.300 -0.011 0.000 1.111 86 D CA -1.140 52.817 54.000 -0.072 0.000 0.993 86 D CB 1.279 42.035 40.800 -0.073 0.000 1.118 86 D HN 0.122 8.474 8.370 -0.030 0.000 0.502 87 L N -2.014 119.193 121.223 -0.027 0.000 2.291 87 L HA -0.133 nan 4.340 nan 0.000 0.214 87 L C 1.419 178.367 176.870 0.130 0.000 1.120 87 L CA 1.970 56.853 54.840 0.072 0.000 0.799 87 L CB 0.412 42.465 42.059 -0.009 0.000 0.925 87 L HN 0.697 8.763 8.230 -0.087 0.113 0.446 88 K N -0.233 120.202 120.400 0.060 0.000 2.057 88 K HA -0.380 nan 4.320 nan 0.000 0.207 88 K C 2.201 178.862 176.600 0.101 0.000 1.049 88 K CA 3.088 59.419 56.287 0.072 0.000 0.931 88 K CB -0.559 31.961 32.500 0.034 0.000 0.714 88 K HN -0.590 7.753 8.250 0.011 -0.086 0.440 89 K N -0.939 119.526 120.400 0.109 0.000 2.148 89 K HA -0.237 nan 4.320 nan 0.000 0.204 89 K C 2.110 178.823 176.600 0.187 0.000 1.050 89 K CA 2.140 58.498 56.287 0.119 0.000 0.942 89 K CB -0.543 32.014 32.500 0.096 0.000 0.724 89 K HN -0.267 8.339 8.250 0.086 -0.305 0.446 90 F N 0.849 120.822 119.950 0.038 0.000 2.084 90 F HA -0.335 nan 4.527 nan 0.000 0.296 90 F C 1.446 177.286 175.800 0.066 0.000 1.111 90 F CA 3.536 61.572 58.000 0.060 0.000 1.224 90 F CB 0.467 39.516 39.000 0.083 0.000 0.991 90 F HN -0.681 7.817 8.300 0.330 0.000 0.471 91 M N -1.073 118.564 119.600 0.061 0.000 2.089 91 M HA -0.603 nan 4.480 nan 0.000 0.257 91 M C 1.482 177.752 176.300 -0.048 0.000 1.071 91 M CA 4.009 59.285 55.300 -0.039 0.000 1.096 91 M CB -0.590 32.044 32.600 0.055 0.000 1.330 91 M HN -0.296 7.960 8.290 0.202 0.155 0.403 92 D N -2.262 118.145 120.400 0.012 0.000 2.182 92 D HA -0.203 nan 4.640 nan 0.000 0.201 92 D C 1.629 177.919 176.300 -0.017 0.000 0.986 92 D CA 2.593 56.599 54.000 0.010 0.000 0.847 92 D CB -0.114 40.709 40.800 0.038 0.000 0.942 92 D HN -0.440 7.878 8.370 0.053 0.084 0.467 93 A N -2.369 120.432 122.820 -0.032 0.000 2.123 93 A HA -0.002 nan 4.320 nan 0.000 0.214 93 A C 1.400 178.908 177.584 -0.127 0.000 1.152 93 A CA 1.609 53.617 52.037 -0.048 0.000 0.728 93 A CB 0.420 19.428 19.000 0.014 0.000 0.814 93 A HN -0.043 8.013 8.150 0.026 0.109 0.464 94 S N -0.728 114.840 115.700 -0.219 0.000 2.577 94 S HA 0.143 nan 4.470 nan 0.000 0.219 94 S C 0.776 175.291 174.600 -0.141 0.000 0.962 94 S CA 0.776 58.826 58.200 -0.251 0.000 0.921 94 S CB 0.437 63.390 63.200 -0.412 0.000 0.789 94 S HN 0.573 8.514 8.310 -0.332 0.170 0.497 95 A N 2.172 124.936 122.820 -0.093 0.000 1.940 95 A HA -0.221 nan 4.320 nan 0.000 0.219 95 A C 1.225 178.779 177.584 -0.049 0.000 1.176 95 A CA 3.588 55.590 52.037 -0.058 0.000 0.631 95 A CB -0.904 18.075 19.000 -0.034 0.000 0.814 95 A HN -0.051 7.929 8.150 -0.097 0.112 0.446 96 L N -6.592 114.602 121.223 -0.048 0.000 2.240 96 L HA -0.086 nan 4.340 nan 0.000 0.211 96 L C 1.961 178.808 176.870 -0.038 0.000 1.106 96 L CA 1.545 56.362 54.840 -0.038 0.000 0.793 96 L CB -1.790 40.250 42.059 -0.032 0.000 0.927 96 L HN -0.286 7.809 8.230 -0.063 0.098 0.446 97 T N -5.747 108.778 114.554 -0.048 0.000 3.010 97 T HA -0.001 nan 4.350 nan 0.000 0.252 97 T C 1.007 175.682 174.700 -0.041 0.000 1.047 97 T CA 0.628 62.704 62.100 -0.041 0.000 1.140 97 T CB 1.416 70.261 68.868 -0.038 0.000 0.885 97 T HN -0.527 7.672 8.240 -0.069 0.000 0.464 98 G N 2.707 111.473 108.800 -0.058 0.000 2.662 98 G HA2 -0.354 nan 3.960 nan 0.000 0.686 98 G HA3 -0.354 nan 3.960 nan 0.000 0.686 98 G C -1.275 173.580 174.900 -0.075 0.000 1.271 98 G CA -0.535 44.532 45.100 -0.056 0.000 0.816 98 G HN -0.280 7.964 8.290 -0.078 0.000 0.608 99 I N 1.763 122.296 120.570 -0.061 0.000 2.474 99 I HA 0.017 nan 4.170 nan 0.000 0.287 99 I C -1.103 175.011 176.117 -0.004 0.000 1.048 99 I CA -2.279 58.988 61.300 -0.055 0.000 1.383 99 I CB 0.461 38.457 38.000 -0.006 0.000 1.412 99 I HN 0.401 8.597 8.210 -0.024 0.000 0.531 100 P HA 0.026 nan 4.420 nan 0.000 0.264 100 P C 0.863 178.173 177.300 0.016 0.000 1.193 100 P CA -0.475 62.627 63.100 0.005 0.000 0.763 100 P CB 0.665 32.364 31.700 -0.000 0.000 0.810 101 L N 3.754 124.997 121.223 0.033 0.000 2.040 101 L HA -0.420 nan 4.340 nan 0.000 0.228 101 L C -0.236 176.641 176.870 0.012 0.000 1.092 101 L CA 5.450 60.322 54.840 0.054 0.000 0.805 101 L CB -2.192 39.901 42.059 0.056 0.000 0.905 101 L HN 0.649 8.899 8.230 0.033 0.000 0.443 102 P HA -0.242 nan 4.420 nan 0.000 0.218 102 P C 1.907 179.153 177.300 -0.089 0.000 1.146 102 P CA 2.888 65.946 63.100 -0.070 0.000 0.813 102 P CB -0.433 31.225 31.700 -0.069 0.000 0.778 103 L N -2.507 118.652 121.223 -0.106 0.000 2.049 103 L HA -0.248 nan 4.340 nan 0.000 0.203 103 L C 1.576 178.280 176.870 -0.277 0.000 1.074 103 L CA 2.783 57.466 54.840 -0.262 0.000 0.749 103 L CB -0.086 41.823 42.059 -0.250 0.000 0.907 103 L HN -0.316 7.728 8.230 -0.068 0.145 0.439 104 I N -0.468 120.081 120.570 -0.035 0.000 2.121 104 I HA -0.776 nan 4.170 nan 0.000 0.243 104 I C 1.817 178.043 176.117 0.183 0.000 1.047 104 I CA 4.562 65.954 61.300 0.152 0.000 1.308 104 I CB -0.561 37.583 38.000 0.240 0.000 1.015 104 I HN -0.251 7.952 8.210 -0.011 0.000 0.410 105 K N -1.445 119.031 120.400 0.126 0.000 2.057 105 K HA -0.427 nan 4.320 nan 0.000 0.207 105 K C 2.344 179.069 176.600 0.208 0.000 1.049 105 K CA 3.744 60.123 56.287 0.152 0.000 0.931 105 K CB -0.250 32.188 32.500 -0.105 0.000 0.714 105 K HN 0.126 8.421 8.250 0.076 0.000 0.440 106 S N -0.122 115.628 115.700 0.082 0.000 2.355 106 S HA -0.253 nan 4.470 nan 0.000 0.222 106 S C 2.180 176.949 174.600 0.282 0.000 1.031 106 S CA 3.505 61.775 58.200 0.117 0.000 0.993 106 S CB -0.098 63.095 63.200 -0.012 0.000 0.859 106 S HN -0.610 7.698 8.310 -0.004 0.000 0.453 107 Y N 0.996 121.361 120.300 0.108 0.000 2.114 107 Y HA -0.316 nan 4.550 nan 0.000 0.282 107 Y C 2.360 178.292 175.900 0.054 0.000 1.165 107 Y CA 1.257 59.404 58.100 0.080 0.000 1.148 107 Y CB -0.777 37.739 38.460 0.095 0.000 0.972 107 Y HN 0.342 8.693 8.280 0.119 0.000 0.504 108 L N -1.700 119.678 121.223 0.259 0.000 2.046 108 L HA -0.447 nan 4.340 nan 0.000 0.208 108 L C 1.826 178.721 176.870 0.043 0.000 1.077 108 L CA 3.376 58.292 54.840 0.127 0.000 0.747 108 L CB -0.475 41.642 42.059 0.098 0.000 0.896 108 L HN 0.068 8.478 8.230 0.299 0.000 0.432 109 F N -0.380 119.464 119.950 -0.176 0.000 2.102 109 F HA -0.595 nan 4.527 nan 0.000 0.298 109 F C 1.771 177.406 175.800 -0.276 0.000 1.105 109 F CA 3.647 61.344 58.000 -0.505 0.000 1.239 109 F CB 0.455 39.206 39.000 -0.415 0.000 0.991 109 F HN 0.311 8.671 8.300 0.292 0.115 0.474 110 Q N -1.272 118.488 119.800 -0.067 0.000 2.050 110 Q HA -0.381 nan 4.340 nan 0.000 0.202 110 Q C 2.402 178.324 176.000 -0.129 0.000 0.980 110 Q CA 3.145 58.884 55.803 -0.107 0.000 0.840 110 Q CB -0.064 28.696 28.738 0.036 0.000 0.898 110 Q HN -0.340 8.009 8.270 0.131 0.000 0.424 111 L N -0.138 121.034 121.223 -0.086 0.000 2.042 111 L HA -0.291 nan 4.340 nan 0.000 0.210 111 L C 2.309 179.096 176.870 -0.139 0.000 1.076 111 L CA 2.748 57.531 54.840 -0.096 0.000 0.749 111 L CB -1.367 40.653 42.059 -0.066 0.000 0.893 111 L HN -0.035 8.173 8.230 -0.036 0.000 0.432 112 L N -1.570 119.548 121.223 -0.176 0.000 2.012 112 L HA -0.458 nan 4.340 nan 0.000 0.210 112 L C 2.411 179.136 176.870 -0.242 0.000 1.073 112 L CA 2.814 57.538 54.840 -0.194 0.000 0.748 112 L CB -1.576 40.342 42.059 -0.235 0.000 0.891 112 L HN -0.165 7.951 8.230 -0.189 0.000 0.431 113 Q N -0.912 118.686 119.800 -0.336 0.000 2.077 113 Q HA -0.427 nan 4.340 nan 0.000 0.206 113 Q C 2.605 178.362 176.000 -0.406 0.000 0.989 113 Q CA 3.710 59.320 55.803 -0.321 0.000 0.853 113 Q CB -0.304 28.226 28.738 -0.347 0.000 0.907 113 Q HN -0.118 7.892 8.270 -0.433 0.000 0.418 114 G N -1.427 107.110 108.800 -0.440 0.000 2.394 114 G HA2 -0.244 nan 3.960 nan 0.000 0.214 114 G HA3 -0.244 nan 3.960 nan 0.000 0.214 114 G C 0.993 175.715 174.900 -0.296 0.000 1.176 114 G CA 1.595 46.348 45.100 -0.578 0.000 0.786 114 G HN -0.337 7.770 8.290 -0.304 0.000 0.533 115 L N 2.032 123.132 121.223 -0.204 0.000 2.081 115 L HA -0.507 nan 4.340 nan 0.000 0.212 115 L C 2.192 178.787 176.870 -0.458 0.000 1.080 115 L CA 2.867 57.494 54.840 -0.355 0.000 0.754 115 L CB -0.584 41.272 42.059 -0.338 0.000 0.893 115 L HN -0.025 8.088 8.230 -0.195 0.000 0.433 116 A N -0.723 121.970 122.820 -0.213 0.000 1.858 116 A HA -0.349 nan 4.320 nan 0.000 0.216 116 A C 1.550 179.126 177.584 -0.014 0.000 1.190 116 A CA 3.049 55.042 52.037 -0.072 0.000 0.617 116 A CB -1.014 17.962 19.000 -0.040 0.000 0.827 116 A HN 0.407 8.328 8.150 -0.202 0.109 0.443 117 F N -0.580 119.247 119.950 -0.205 0.000 2.045 117 F HA -0.593 nan 4.527 nan 0.000 0.297 117 F C 1.584 177.380 175.800 -0.007 0.000 1.114 117 F CA 4.172 62.112 58.000 -0.101 0.000 1.207 117 F CB 0.074 38.906 39.000 -0.281 0.000 0.964 117 F HN -0.328 7.935 8.300 -0.062 0.000 0.486 118 C N -1.673 117.502 119.300 -0.209 0.000 2.413 118 C HA -0.471 nan 4.460 nan 0.000 0.276 118 C C 2.618 177.579 174.990 -0.048 0.000 1.236 118 C CA 4.487 63.294 59.018 -0.351 0.000 1.735 118 C CB -2.044 25.298 27.740 -0.663 0.000 2.031 118 C HN 0.488 8.524 8.230 -0.146 0.106 0.474 119 H N -0.130 118.914 119.070 -0.044 0.000 2.387 119 H HA -0.270 nan 4.556 nan 0.000 0.299 119 H C 2.805 178.107 175.328 -0.043 0.000 1.099 119 H CA 1.475 57.529 56.048 0.010 0.000 1.315 119 H CB -1.011 28.780 29.762 0.050 0.000 1.380 119 H HN 0.226 8.461 8.280 -0.074 0.000 0.513 120 S N -0.298 115.412 115.700 0.017 0.000 2.368 120 S HA -0.242 nan 4.470 nan 0.000 0.225 120 S C 1.048 175.500 174.600 -0.248 0.000 1.030 120 S CA 3.091 61.206 58.200 -0.142 0.000 0.999 120 S CB -0.074 62.955 63.200 -0.284 0.000 0.844 120 S HN 0.373 8.489 8.310 0.003 0.196 0.459 121 H N -0.884 118.065 119.070 -0.201 0.000 2.547 121 H HA 0.006 nan 4.556 nan 0.000 0.274 121 H C -0.231 175.034 175.328 -0.105 0.000 1.024 121 H CA 0.169 56.100 56.048 -0.194 0.000 1.155 121 H CB 0.067 29.626 29.762 -0.339 0.000 1.344 121 H HN -0.619 7.511 8.280 -0.045 0.123 0.598 122 R N -4.052 116.468 120.500 0.034 0.000 3.516 122 R HA -0.343 nan 4.340 nan 0.000 0.271 122 R C -1.032 175.317 176.300 0.081 0.000 1.098 122 R CA 0.403 56.531 56.100 0.046 0.000 0.732 122 R CB -3.180 27.133 30.300 0.022 0.000 1.152 122 R HN -0.157 7.915 8.270 -0.006 0.195 0.455 123 V N -2.572 117.414 119.914 0.121 0.000 2.417 123 V HA 0.398 nan 4.120 nan 0.000 0.291 123 V C -1.851 174.475 176.094 0.387 0.000 1.024 123 V CA -1.949 60.452 62.300 0.168 0.000 0.861 123 V CB 2.643 34.508 31.823 0.070 0.000 0.985 123 V HN -0.221 7.902 8.190 0.104 0.130 0.436 124 L N 4.503 125.948 121.223 0.370 0.000 2.332 124 L HA 0.769 nan 4.340 nan 0.000 0.269 124 L C -0.954 176.228 176.870 0.520 0.000 1.016 124 L CA -1.461 53.693 54.840 0.523 0.000 0.809 124 L CB 2.670 44.884 42.059 0.258 0.000 1.280 124 L HN -0.175 8.232 8.230 0.295 0.000 0.447 125 H N 1.831 121.003 119.070 0.170 0.000 2.266 125 H HA -0.139 nan 4.556 nan 0.000 0.308 125 H C 1.062 176.322 175.328 -0.114 0.000 1.057 125 H CA 3.259 59.068 56.048 -0.398 0.000 1.330 125 H CB 1.192 30.406 29.762 -0.913 0.000 1.400 125 H HN 0.572 9.600 8.280 0.430 -0.490 0.503 126 R N -4.381 116.215 120.500 0.159 0.000 3.218 126 R HA -0.280 nan 4.340 nan 0.000 0.397 126 R C -1.733 174.640 176.300 0.121 0.000 0.440 126 R CA 1.793 57.956 56.100 0.105 0.000 1.454 126 R CB -0.300 30.066 30.300 0.109 0.000 1.907 126 R HN -0.152 8.469 8.270 0.171 -0.249 0.306 127 D N -2.119 118.451 120.400 0.282 0.000 2.879 127 D HA 0.083 nan 4.640 nan 0.000 0.351 127 D C -1.464 174.851 176.300 0.025 0.000 1.239 127 D CA -0.697 53.413 54.000 0.182 0.000 0.771 127 D CB 0.099 40.998 40.800 0.165 0.000 1.176 127 D HN -0.157 8.444 8.370 0.537 0.091 0.496 128 L N 0.563 121.650 121.223 -0.226 0.000 2.455 128 L HA -0.087 nan 4.340 nan 0.000 0.272 128 L C -0.910 175.720 176.870 -0.401 0.000 1.174 128 L CA 0.187 54.740 54.840 -0.478 0.000 0.869 128 L CB 0.511 42.313 42.059 -0.428 0.000 1.130 128 L HN -0.238 7.935 8.230 -0.095 0.000 0.474 129 K N 1.101 121.233 120.400 -0.447 0.000 2.556 129 K HA 0.341 nan 4.320 nan 0.000 0.274 129 K C -1.919 174.446 176.600 -0.392 0.000 0.966 129 K CA -3.005 52.924 56.287 -0.597 0.000 0.865 129 K CB 0.145 32.398 32.500 -0.411 0.000 1.444 129 K HN -0.641 7.357 8.250 -0.419 0.000 0.433 130 P HA -0.220 nan 4.420 nan 0.000 0.218 130 P C 0.917 178.145 177.300 -0.120 0.000 1.148 130 P CA 2.347 65.351 63.100 -0.160 0.000 0.822 130 P CB -0.026 31.642 31.700 -0.052 0.000 0.784 131 Q N -3.371 116.357 119.800 -0.120 0.000 2.437 131 Q HA -0.126 nan 4.340 nan 0.000 0.210 131 Q C 0.506 176.439 176.000 -0.113 0.000 0.972 131 Q CA 2.069 57.815 55.803 -0.096 0.000 0.903 131 Q CB -0.981 27.708 28.738 -0.082 0.000 0.967 131 Q HN 0.635 8.829 8.270 -0.126 0.000 0.486 132 N N -1.540 117.075 118.700 -0.140 0.000 2.321 132 N HA 0.151 nan 4.740 nan 0.000 0.242 132 N C -1.820 173.597 175.510 -0.155 0.000 1.141 132 N CA 0.139 53.109 53.050 -0.133 0.000 0.864 132 N CB 0.745 39.180 38.487 -0.087 0.000 1.100 132 N HN -0.408 7.725 8.380 -0.169 0.146 0.510 133 L N -0.247 120.880 121.223 -0.161 0.000 2.333 133 L HA 0.723 nan 4.340 nan 0.000 0.280 133 L C -2.319 174.444 176.870 -0.179 0.000 1.004 133 L CA -0.756 53.980 54.840 -0.174 0.000 0.820 133 L CB 1.844 43.793 42.059 -0.183 0.000 1.247 133 L HN -0.572 7.488 8.230 -0.147 0.081 0.416 134 L N 4.428 125.535 121.223 -0.193 0.000 2.409 134 L HA 0.857 nan 4.340 nan 0.000 0.272 134 L C -2.030 174.713 176.870 -0.212 0.000 0.980 134 L CA -0.818 53.907 54.840 -0.192 0.000 0.826 134 L CB 3.628 45.581 42.059 -0.177 0.000 1.268 134 L HN 1.072 9.092 8.230 -0.166 0.111 0.407 135 I N 0.735 121.174 120.570 -0.218 0.000 2.957 135 I HA 0.899 nan 4.170 nan 0.000 0.310 135 I C -2.604 173.427 176.117 -0.144 0.000 1.063 135 I CA -2.716 58.444 61.300 -0.232 0.000 1.033 135 I CB 3.670 41.463 38.000 -0.344 0.000 1.230 135 I HN 1.074 9.163 8.210 -0.201 0.000 0.447 136 N N 0.475 119.115 118.700 -0.100 0.000 2.629 136 N HA 0.338 nan 4.740 nan 0.000 0.279 136 N C 0.505 175.991 175.510 -0.041 0.000 1.344 136 N CA -1.715 51.311 53.050 -0.039 0.000 0.789 136 N CB 1.851 40.337 38.487 -0.003 0.000 1.508 136 N HN 0.294 8.510 8.380 -0.105 0.101 0.516 137 T N -7.636 106.899 114.554 -0.031 0.000 3.098 137 T HA -0.159 nan 4.350 nan 0.000 0.266 137 T C 0.493 175.182 174.700 -0.018 0.000 1.145 137 T CA 2.148 64.227 62.100 -0.036 0.000 1.092 137 T CB -0.730 68.109 68.868 -0.048 0.000 0.908 137 T HN 0.147 8.373 8.240 -0.023 0.000 0.526 138 E N 0.628 120.825 120.200 -0.005 0.000 2.476 138 E HA 0.088 nan 4.350 nan 0.000 0.196 138 E C 0.130 176.743 176.600 0.023 0.000 1.029 138 E CA -0.850 55.553 56.400 0.005 0.000 0.896 138 E CB 0.774 30.477 29.700 0.005 0.000 1.012 138 E HN -0.653 7.776 8.360 -0.005 -0.072 0.475 139 G N -1.406 107.418 108.800 0.041 0.000 2.171 139 G HA2 -0.434 nan 3.960 nan 0.000 0.238 139 G HA3 -0.434 nan 3.960 nan 0.000 0.238 139 G C -1.665 173.346 174.900 0.183 0.000 1.039 139 G CA 0.338 45.494 45.100 0.093 0.000 0.759 139 G HN -0.315 7.962 8.290 0.028 0.030 0.501 140 A N -1.486 121.419 122.820 0.141 0.000 2.532 140 A HA 1.028 nan 4.320 nan 0.000 0.290 140 A C -2.686 174.854 177.584 -0.073 0.000 1.143 140 A CA -1.750 50.332 52.037 0.076 0.000 0.728 140 A CB 3.473 22.489 19.000 0.025 0.000 1.317 140 A HN -0.417 7.935 8.150 0.080 -0.154 0.414 141 I N -2.186 118.314 120.570 -0.117 0.000 2.710 141 I HA 0.455 nan 4.170 nan 0.000 0.290 141 I C -2.483 173.550 176.117 -0.140 0.000 1.318 141 I CA -0.543 60.607 61.300 -0.251 0.000 1.045 141 I CB 3.191 40.866 38.000 -0.541 0.000 1.307 141 I HN -0.292 8.087 8.210 -0.039 -0.193 0.424 142 K N 5.996 126.316 120.400 -0.133 0.000 2.482 142 K HA 0.576 nan 4.320 nan 0.000 0.257 142 K C -1.680 174.887 176.600 -0.055 0.000 0.969 142 K CA -2.307 53.942 56.287 -0.062 0.000 0.842 142 K CB 4.437 36.917 32.500 -0.033 0.000 1.359 142 K HN 0.798 8.826 8.250 -0.173 0.118 0.441 143 L N 0.181 121.422 121.223 0.030 0.000 2.290 143 L HA 0.591 nan 4.340 nan 0.000 0.284 143 L C -1.225 175.707 176.870 0.103 0.000 1.078 143 L CA -0.515 54.370 54.840 0.075 0.000 0.815 143 L CB 0.380 42.610 42.059 0.285 0.000 1.162 143 L HN 0.465 8.730 8.230 0.059 0.000 0.435 144 A N 3.069 125.903 122.820 0.024 0.000 2.325 144 A HA 0.218 nan 4.320 nan 0.000 0.333 144 A C -1.231 176.344 177.584 -0.016 0.000 1.155 144 A CA -0.809 51.187 52.037 -0.068 0.000 0.814 144 A CB 1.334 20.226 19.000 -0.180 0.000 1.206 144 A HN 0.281 8.420 8.150 -0.019 0.000 0.482 145 D N -3.533 116.742 120.400 -0.209 0.000 2.981 145 D HA -0.276 nan 4.640 nan 0.000 0.223 145 D C -0.801 175.316 176.300 -0.306 0.000 1.151 145 D CA 1.249 55.116 54.000 -0.222 0.000 0.827 145 D CB -1.498 39.198 40.800 -0.173 0.000 1.101 145 D HN 0.290 8.448 8.370 -0.353 0.000 0.426 146 F N -0.781 119.034 119.950 -0.224 0.000 2.608 146 F HA -0.364 nan 4.527 nan 0.000 0.380 146 F C 1.861 177.559 175.800 -0.169 0.000 1.083 146 F CA 1.587 59.442 58.000 -0.242 0.000 1.266 146 F CB 0.451 39.471 39.000 0.033 0.000 1.076 146 F HN -0.453 7.880 8.300 0.145 0.053 0.574 147 G N 5.581 114.460 108.800 0.131 0.000 2.270 147 G HA2 -0.508 nan 3.960 nan 0.000 0.268 147 G HA3 -0.508 nan 3.960 nan 0.000 0.268 147 G C 0.642 175.529 174.900 -0.022 0.000 0.982 147 G CA 1.298 46.462 45.100 0.106 0.000 0.628 147 G HN 0.424 8.662 8.290 -0.088 0.000 0.544 148 L N 2.128 123.324 121.223 -0.045 0.000 2.042 148 L HA -0.285 nan 4.340 nan 0.000 0.210 148 L C 1.748 178.514 176.870 -0.173 0.000 1.076 148 L CA 2.609 57.417 54.840 -0.053 0.000 0.749 148 L CB -0.659 41.282 42.059 -0.196 0.000 0.893 148 L HN -0.719 7.368 8.230 -0.048 0.115 0.432 149 A N -3.932 118.789 122.820 -0.163 0.000 2.150 149 A HA -0.199 nan 4.320 nan 0.000 0.220 149 A C -1.190 176.434 177.584 0.066 0.000 1.356 149 A CA 1.393 53.414 52.037 -0.027 0.000 1.145 149 A CB -1.749 17.111 19.000 -0.233 0.000 0.826 149 A HN -0.286 7.739 8.150 -0.231 -0.014 0.524 150 R N -6.212 114.309 120.500 0.036 0.000 4.335 150 R HA -0.017 nan 4.340 nan 0.000 0.050 150 R C 1.644 177.911 176.300 -0.055 0.000 0.766 150 R CA 1.029 57.148 56.100 0.032 0.000 2.101 150 R CB -0.201 30.111 30.300 0.020 0.000 1.383 150 R HN 0.241 8.380 8.270 -0.011 0.124 0.441 151 A N 1.605 124.297 122.820 -0.212 0.000 2.054 151 A HA -0.241 nan 4.320 nan 0.000 0.223 151 A C 1.378 178.578 177.584 -0.641 0.000 1.169 151 A CA 2.981 54.742 52.037 -0.460 0.000 0.655 151 A CB -0.522 18.083 19.000 -0.658 0.000 0.812 151 A HN -0.320 7.722 8.150 -0.181 0.000 0.462 152 F N -6.540 113.334 119.950 -0.125 0.000 2.453 152 F HA 0.166 nan 4.527 nan 0.000 0.284 152 F C -0.035 175.823 175.800 0.096 0.000 1.065 152 F CA 1.218 59.203 58.000 -0.024 0.000 1.411 152 F CB 1.302 40.291 39.000 -0.019 0.000 1.131 152 F HN -0.546 7.616 8.300 -0.192 0.023 0.582 153 G N -0.839 108.184 108.800 0.371 0.000 3.233 153 G HA2 -0.276 nan 3.960 nan 0.000 0.686 153 G HA3 -0.276 nan 3.960 nan 0.000 0.686 153 G C -1.797 173.273 174.900 0.283 0.000 1.153 153 G CA -0.550 44.706 45.100 0.260 0.000 0.853 153 G HN -0.212 7.953 8.290 0.135 0.206 0.582 154 V N -2.267 117.764 119.914 0.195 0.000 2.673 154 V HA 0.267 nan 4.120 nan 0.000 0.303 154 V C -0.975 175.085 176.094 -0.057 0.000 1.046 154 V CA -3.223 59.117 62.300 0.066 0.000 1.126 154 V CB -0.439 31.418 31.823 0.058 0.000 0.934 154 V HN 0.093 8.369 8.190 0.143 0.000 0.487 155 P HA 0.116 nan 4.420 nan 0.000 0.276 155 P C -1.136 176.079 177.300 -0.142 0.000 1.230 155 P CA -0.291 62.692 63.100 -0.195 0.000 0.776 155 P CB 0.956 32.480 31.700 -0.292 0.000 0.888 156 V N 2.133 121.970 119.914 -0.128 0.000 2.346 156 V HA -0.063 nan 4.120 nan 0.000 0.244 156 V C 0.089 176.097 176.094 -0.142 0.000 1.037 156 V CA 1.819 64.052 62.300 -0.111 0.000 1.029 156 V CB 0.370 32.141 31.823 -0.087 0.000 0.663 156 V HN 0.163 8.255 8.190 -0.164 0.000 0.454 157 R N -2.135 118.214 120.500 -0.251 0.000 2.407 157 R HA 0.553 nan 4.340 nan 0.000 0.303 157 R C -0.765 175.393 176.300 -0.237 0.000 0.981 157 R CA -1.065 54.846 56.100 -0.315 0.000 0.905 157 R CB 1.246 31.240 30.300 -0.511 0.000 1.099 157 R HN -0.394 7.708 8.270 -0.280 0.000 0.459 158 T N 2.138 116.786 114.554 0.156 0.000 3.578 158 T HA 0.310 nan 4.350 nan 0.000 0.343 158 T C -2.225 172.594 174.700 0.198 0.000 1.126 158 T CA -0.259 61.956 62.100 0.192 0.000 1.092 158 T CB 1.894 70.757 68.868 -0.008 0.000 1.160 158 T HN 0.918 9.086 8.240 0.112 0.138 0.469 159 Y N 5.009 125.321 120.300 0.020 0.000 2.425 159 Y HA 0.221 nan 4.550 nan 0.000 0.344 159 Y C -0.431 175.411 175.900 -0.096 0.000 0.969 159 Y CA -1.347 56.773 58.100 0.033 0.000 1.052 159 Y CB 2.440 40.901 38.460 0.002 0.000 1.215 159 Y HN -0.190 8.147 8.280 0.095 0.000 0.451 160 T N 5.105 119.304 114.554 -0.591 0.000 2.732 160 T HA -0.066 nan 4.350 nan 0.000 0.365 160 T C 0.202 174.722 174.700 -0.300 0.000 1.077 160 T CA -0.433 61.144 62.100 -0.872 0.000 1.044 160 T CB 0.541 68.868 68.868 -0.901 0.000 1.220 160 T HN 0.104 8.118 8.240 -0.377 0.000 0.517 161 H N 0.732 119.747 119.070 -0.093 0.000 2.672 161 H HA 0.364 nan 4.556 nan 0.000 0.262 161 H C -0.234 175.072 175.328 -0.037 0.000 1.577 161 H CA -3.103 52.919 56.048 -0.044 0.000 1.183 161 H CB -2.499 27.247 29.762 -0.027 0.000 1.546 161 H HN 0.266 8.305 8.280 -0.402 0.000 0.502 162 E N 0.878 121.130 120.200 0.086 0.000 2.435 162 E HA -0.139 nan 4.350 nan 0.000 0.256 162 E C -0.528 176.095 176.600 0.037 0.000 1.245 162 E CA 0.928 57.351 56.400 0.038 0.000 0.989 162 E CB 0.826 30.525 29.700 -0.001 0.000 0.983 162 E HN 0.134 8.458 8.360 0.077 0.082 0.480 163 V N -3.206 116.701 119.914 -0.012 0.000 2.785 163 V HA 0.172 nan 4.120 nan 0.000 0.300 163 V C 0.913 176.967 176.094 -0.067 0.000 1.062 163 V CA -0.451 61.825 62.300 -0.040 0.000 1.029 163 V CB 0.082 31.877 31.823 -0.046 0.000 1.024 163 V HN 0.089 8.264 8.190 -0.025 0.000 0.477 164 V N -0.715 119.154 119.914 -0.075 0.000 2.225 164 V HA -0.331 nan 4.120 nan 0.000 0.252 164 V C 0.290 176.306 176.094 -0.130 0.000 1.055 164 V CA 2.275 64.521 62.300 -0.090 0.000 1.032 164 V CB -0.558 31.220 31.823 -0.074 0.000 0.655 164 V HN 0.150 8.298 8.190 -0.070 0.000 0.458 165 T N -2.109 112.357 114.554 -0.145 0.000 2.063 165 T HA -0.059 nan 4.350 nan 0.000 0.635 165 T C 0.060 174.744 174.700 -0.026 0.000 0.938 165 T CA -0.281 61.688 62.100 -0.218 0.000 3.142 165 T CB 0.111 68.739 68.868 -0.400 0.000 1.956 165 T HN -0.249 7.937 8.240 -0.089 0.000 0.432 166 L N 4.610 125.855 121.223 0.036 0.000 2.592 166 L HA 0.308 nan 4.340 nan 0.000 0.227 166 L C 1.647 178.657 176.870 0.233 0.000 1.127 166 L CA -0.503 54.414 54.840 0.129 0.000 0.884 166 L CB -0.264 41.853 42.059 0.098 0.000 1.065 166 L HN 0.586 8.788 8.230 -0.047 0.000 0.457 167 W N -0.895 120.345 121.300 -0.099 0.000 2.364 167 W HA -0.280 nan 4.660 nan 0.000 0.281 167 W C 0.693 176.932 176.519 -0.466 0.000 1.219 167 W CA 2.609 59.740 57.345 -0.357 0.000 1.220 167 W CB -0.896 28.180 29.460 -0.641 0.000 1.127 167 W HN -0.505 7.744 8.180 0.193 0.047 0.556 168 Y N -8.044 112.487 120.300 0.386 0.000 2.467 168 Y HA 0.052 nan 4.550 nan 0.000 0.250 168 Y C -0.224 175.870 175.900 0.324 0.000 1.155 168 Y CA -0.484 57.826 58.100 0.350 0.000 1.249 168 Y CB 0.419 39.014 38.460 0.225 0.000 1.146 168 Y HN -0.525 7.914 8.280 0.321 0.033 0.524 169 R N -0.030 120.632 120.500 0.270 0.000 2.543 169 R HA -0.045 nan 4.340 nan 0.000 0.277 169 R C -0.796 175.390 176.300 -0.190 0.000 1.074 169 R CA -0.886 55.255 56.100 0.068 0.000 1.076 169 R CB 0.308 30.597 30.300 -0.017 0.000 0.993 169 R HN -0.795 7.609 8.270 0.222 0.000 0.459 170 A N 3.334 125.924 122.820 -0.383 0.000 2.371 170 A HA 0.282 nan 4.320 nan 0.000 0.257 170 A C -0.686 176.503 177.584 -0.659 0.000 1.089 170 A CA -2.152 49.311 52.037 -0.957 0.000 0.794 170 A CB -0.169 18.561 19.000 -0.450 0.000 1.029 170 A HN 0.344 8.368 8.150 -0.210 0.000 0.488 171 P HA -0.171 nan 4.420 nan 0.000 0.221 171 P C 1.285 178.646 177.300 0.101 0.000 1.150 171 P CA 2.188 65.144 63.100 -0.239 0.000 0.800 171 P CB 0.267 31.951 31.700 -0.025 0.000 0.787 172 E N -0.644 119.667 120.200 0.185 0.000 2.114 172 E HA -0.373 nan 4.350 nan 0.000 0.199 172 E C 2.390 179.114 176.600 0.207 0.000 1.008 172 E CA 3.898 60.505 56.400 0.345 0.000 0.810 172 E CB -0.959 28.932 29.700 0.319 0.000 0.739 172 E HN 0.455 8.869 8.360 0.090 0.000 0.456 173 I N -1.541 119.070 120.570 0.068 0.000 2.277 173 I HA -0.317 nan 4.170 nan 0.000 0.243 173 I C 2.468 178.612 176.117 0.045 0.000 1.094 173 I CA 3.119 64.452 61.300 0.056 0.000 1.393 173 I CB -0.080 37.826 38.000 -0.158 0.000 1.078 173 I HN -0.605 7.446 8.210 -0.062 0.123 0.417 174 L N -0.572 120.640 121.223 -0.019 0.000 2.079 174 L HA -0.278 nan 4.340 nan 0.000 0.210 174 L C 1.626 178.519 176.870 0.039 0.000 1.081 174 L CA 2.064 56.888 54.840 -0.026 0.000 0.752 174 L CB -1.132 40.861 42.059 -0.110 0.000 0.896 174 L HN -0.592 7.596 8.230 -0.069 0.000 0.433 175 L N -5.125 116.158 121.223 0.099 0.000 2.599 175 L HA 0.047 nan 4.340 nan 0.000 0.230 175 L C 0.373 177.326 176.870 0.137 0.000 1.141 175 L CA -1.045 53.889 54.840 0.157 0.000 0.877 175 L CB -0.237 41.935 42.059 0.189 0.000 1.009 175 L HN 0.189 8.321 8.230 0.106 0.161 0.447 176 G N -2.357 106.514 108.800 0.119 0.000 2.175 176 G HA2 -0.405 nan 3.960 nan 0.000 0.244 176 G HA3 -0.405 nan 3.960 nan 0.000 0.244 176 G C -0.275 174.696 174.900 0.119 0.000 0.982 176 G CA -0.030 45.133 45.100 0.106 0.000 0.641 176 G HN -0.573 7.636 8.290 0.124 0.156 0.527 177 C N 1.713 121.112 119.300 0.164 0.000 2.665 177 C HA 0.044 nan 4.460 nan 0.000 0.416 177 C C -0.021 175.062 174.990 0.155 0.000 1.305 177 C CA 0.188 59.320 59.018 0.190 0.000 1.903 177 C CB 1.176 29.077 27.740 0.268 0.000 2.704 177 C HN 0.093 8.325 8.230 0.197 0.115 0.629 178 K N 2.930 123.324 120.400 -0.009 0.000 2.474 178 K HA 0.041 nan 4.320 nan 0.000 0.202 178 K C 0.198 176.266 176.600 -0.887 0.000 1.248 178 K CA 0.950 57.025 56.287 -0.353 0.000 0.946 178 K CB 1.095 33.487 32.500 -0.181 0.000 1.102 178 K HN 0.326 8.629 8.250 0.088 0.000 0.541 179 Y N 1.481 121.625 120.300 -0.259 0.000 2.617 179 Y HA 0.160 nan 4.550 nan 0.000 0.328 179 Y C -1.050 174.757 175.900 -0.156 0.000 0.946 179 Y CA -1.234 56.724 58.100 -0.237 0.000 1.241 179 Y CB -0.805 37.600 38.460 -0.091 0.000 1.226 179 Y HN -0.483 7.704 8.280 -0.155 0.000 0.582 180 Y N -0.719 119.633 120.300 0.087 0.000 2.258 180 Y HA 0.216 nan 4.550 nan 0.000 0.345 180 Y C -0.873 175.069 175.900 0.072 0.000 1.303 180 Y CA -2.340 55.817 58.100 0.095 0.000 1.537 180 Y CB 0.548 39.055 38.460 0.077 0.000 1.383 180 Y HN -0.491 6.899 8.280 -1.482 0.000 0.606 181 S N -1.359 114.559 115.700 0.363 0.000 2.798 181 S HA 0.343 nan 4.470 nan 0.000 0.312 181 S C 1.468 176.132 174.600 0.106 0.000 1.122 181 S CA -1.142 57.166 58.200 0.181 0.000 0.949 181 S CB 2.590 65.865 63.200 0.125 0.000 1.235 181 S HN 0.180 8.692 8.310 0.336 0.000 0.552 182 T N -2.536 111.987 114.554 -0.052 0.000 2.822 182 T HA -0.233 nan 4.350 nan 0.000 0.270 182 T C 1.914 176.550 174.700 -0.107 0.000 1.064 182 T CA 2.632 64.552 62.100 -0.300 0.000 1.131 182 T CB -0.617 67.900 68.868 -0.584 0.000 0.858 182 T HN 0.327 8.529 8.240 -0.064 0.000 0.483 183 A N 0.726 123.563 122.820 0.027 0.000 2.070 183 A HA -0.145 nan 4.320 nan 0.000 0.220 183 A C 1.483 179.161 177.584 0.158 0.000 1.159 183 A CA 2.434 54.533 52.037 0.103 0.000 0.656 183 A CB -0.841 18.221 19.000 0.104 0.000 0.800 183 A HN -0.459 7.663 8.150 0.034 0.049 0.453 184 V N -0.804 119.178 119.914 0.113 0.000 2.324 184 V HA -0.537 nan 4.120 nan 0.000 0.250 184 V C 1.786 177.991 176.094 0.185 0.000 1.060 184 V CA 4.753 67.107 62.300 0.090 0.000 1.042 184 V CB -0.771 31.017 31.823 -0.059 0.000 0.650 184 V HN -0.254 7.960 8.190 0.082 0.026 0.450 185 D N -1.099 119.417 120.400 0.193 0.000 2.162 185 D HA -0.116 nan 4.640 nan 0.000 0.203 185 D C 2.305 178.731 176.300 0.210 0.000 0.967 185 D CA 3.000 57.128 54.000 0.214 0.000 0.840 185 D CB -0.669 40.343 40.800 0.353 0.000 0.972 185 D HN -0.591 7.846 8.370 0.171 0.036 0.482 186 I N 0.568 121.282 120.570 0.239 0.000 2.118 186 I HA -0.459 nan 4.170 nan 0.000 0.241 186 I C 1.922 178.150 176.117 0.185 0.000 1.070 186 I CA 2.729 64.140 61.300 0.185 0.000 1.327 186 I CB -1.124 36.973 38.000 0.162 0.000 1.034 186 I HN -0.822 7.456 8.210 0.249 0.082 0.405 187 W N 0.246 121.591 121.300 0.075 0.000 2.321 187 W HA -0.510 nan 4.660 nan 0.000 0.306 187 W C 2.002 178.603 176.519 0.137 0.000 1.217 187 W CA 3.784 61.183 57.345 0.090 0.000 1.257 187 W CB -0.148 29.355 29.460 0.072 0.000 1.145 187 W HN 0.569 8.860 8.180 0.369 0.111 0.509 188 S N -0.248 115.672 115.700 0.368 0.000 2.355 188 S HA -0.324 nan 4.470 nan 0.000 0.222 188 S C 2.271 176.962 174.600 0.153 0.000 1.031 188 S CA 3.865 62.245 58.200 0.299 0.000 0.993 188 S CB -0.557 62.758 63.200 0.193 0.000 0.859 188 S HN -0.103 8.434 8.310 0.379 0.000 0.453 189 L N 1.163 122.438 121.223 0.085 0.000 2.043 189 L HA -0.368 nan 4.340 nan 0.000 0.212 189 L C 1.754 178.682 176.870 0.098 0.000 1.075 189 L CA 3.183 58.057 54.840 0.056 0.000 0.752 189 L CB -0.391 41.688 42.059 0.034 0.000 0.891 189 L HN 0.602 8.782 8.230 0.101 0.110 0.432 190 G N -2.563 106.265 108.800 0.048 0.000 2.422 190 G HA2 -0.343 nan 3.960 nan 0.000 0.218 190 G HA3 -0.343 nan 3.960 nan 0.000 0.218 190 G C 1.006 175.896 174.900 -0.018 0.000 1.140 190 G CA 2.184 47.307 45.100 0.039 0.000 0.775 190 G HN -0.028 8.269 8.290 0.012 -0.000 0.545 191 C N 2.878 122.156 119.300 -0.038 0.000 2.429 191 C HA -0.234 nan 4.460 nan 0.000 0.277 191 C C 2.233 177.333 174.990 0.183 0.000 1.262 191 C CA 3.875 62.916 59.018 0.039 0.000 1.733 191 C CB -1.567 26.330 27.740 0.261 0.000 2.010 191 C HN -0.527 7.676 8.230 -0.044 0.000 0.483 192 I N 0.705 121.408 120.570 0.221 0.000 2.142 192 I HA -0.484 nan 4.170 nan 0.000 0.240 192 I C 1.829 178.075 176.117 0.215 0.000 1.078 192 I CA 1.424 62.835 61.300 0.186 0.000 1.343 192 I CB -1.398 36.635 38.000 0.054 0.000 1.046 192 I HN 0.232 8.422 8.210 0.185 0.131 0.405 193 F N 0.717 120.676 119.950 0.015 0.000 2.087 193 F HA -0.601 nan 4.527 nan 0.000 0.299 193 F C 1.381 177.161 175.800 -0.033 0.000 1.100 193 F CA 3.282 61.281 58.000 -0.001 0.000 1.226 193 F CB 0.281 39.259 39.000 -0.037 0.000 0.983 193 F HN 0.429 8.790 8.300 0.295 0.116 0.479 194 A N -2.440 120.272 122.820 -0.180 0.000 1.930 194 A HA -0.369 nan 4.320 nan 0.000 0.217 194 A C 1.566 179.051 177.584 -0.164 0.000 1.175 194 A CA 2.915 54.756 52.037 -0.328 0.000 0.627 194 A CB -1.089 17.718 19.000 -0.322 0.000 0.815 194 A HN 0.277 8.289 8.150 -0.049 0.109 0.443 195 E N -1.301 118.871 120.200 -0.045 0.000 2.153 195 E HA -0.360 nan 4.350 nan 0.000 0.194 195 E C 2.396 179.020 176.600 0.040 0.000 0.988 195 E CA 2.927 59.332 56.400 0.008 0.000 0.811 195 E CB -0.202 29.558 29.700 0.100 0.000 0.746 195 E HN -0.588 7.758 8.360 -0.018 0.004 0.466 196 M N -1.729 117.928 119.600 0.096 0.000 2.132 196 M HA -0.334 nan 4.480 nan 0.000 0.263 196 M C 2.089 178.431 176.300 0.069 0.000 1.065 196 M CA 3.813 59.188 55.300 0.124 0.000 1.122 196 M CB 0.071 32.812 32.600 0.236 0.000 1.365 196 M HN -0.627 7.582 8.290 0.119 0.153 0.411 197 V N -2.283 117.641 119.914 0.015 0.000 2.323 197 V HA -0.278 nan 4.120 nan 0.000 0.244 197 V C 1.393 177.456 176.094 -0.051 0.000 1.041 197 V CA 3.753 66.037 62.300 -0.028 0.000 1.025 197 V CB -0.060 31.709 31.823 -0.090 0.000 0.656 197 V HN -0.672 7.409 8.190 -0.017 0.098 0.451 198 T N -4.809 109.695 114.554 -0.083 0.000 3.055 198 T HA -0.052 nan 4.350 nan 0.000 0.265 198 T C 0.933 175.596 174.700 -0.061 0.000 1.111 198 T CA 1.394 63.444 62.100 -0.084 0.000 1.118 198 T CB -0.079 68.716 68.868 -0.122 0.000 0.909 198 T HN -0.044 8.138 8.240 -0.097 0.000 0.501 199 R N -2.418 118.057 120.500 -0.041 0.000 3.875 199 R HA -0.361 nan 4.340 nan 0.000 0.321 199 R C -1.310 174.971 176.300 -0.032 0.000 1.196 199 R CA 0.994 57.077 56.100 -0.027 0.000 0.868 199 R CB -1.996 28.286 30.300 -0.029 0.000 1.333 199 R HN 0.098 8.345 8.270 -0.037 0.000 0.522 200 R N -3.741 116.724 120.500 -0.058 0.000 2.740 200 R HA 0.241 nan 4.340 nan 0.000 0.273 200 R C -1.792 174.437 176.300 -0.119 0.000 0.998 200 R CA -2.807 53.245 56.100 -0.080 0.000 0.900 200 R CB 1.333 31.566 30.300 -0.111 0.000 1.223 200 R HN -0.566 7.608 8.270 -0.079 0.049 0.466 201 A N 0.919 123.650 122.820 -0.148 0.000 2.524 201 A HA -0.003 nan 4.320 nan 0.000 0.250 201 A C -0.063 177.295 177.584 -0.375 0.000 1.078 201 A CA 0.483 52.380 52.037 -0.234 0.000 0.761 201 A CB 0.003 18.747 19.000 -0.426 0.000 1.012 201 A HN 0.072 8.137 8.150 -0.141 0.000 0.500 202 L N 1.609 122.572 121.223 -0.434 0.000 1.990 202 L HA -0.229 nan 4.340 nan 0.000 0.213 202 L C -0.184 176.199 176.870 -0.813 0.000 1.072 202 L CA 2.653 57.061 54.840 -0.719 0.000 0.755 202 L CB 0.711 42.179 42.059 -0.986 0.000 0.889 202 L HN 0.458 8.488 8.230 -0.334 0.000 0.432 203 F N -6.460 113.292 119.950 -0.330 0.000 2.809 203 F HA 0.286 nan 4.527 nan 0.000 0.369 203 F C -2.531 172.880 175.800 -0.648 0.000 1.225 203 F CA -3.527 54.251 58.000 -0.371 0.000 1.201 203 F CB 0.641 39.516 39.000 -0.208 0.000 1.527 203 F HN -0.437 7.550 8.300 -0.522 0.000 0.565 204 P HA 0.043 nan 4.420 nan 0.000 0.230 204 P C -0.773 176.064 177.300 -0.770 0.000 1.791 204 P CA -0.695 61.466 63.100 -1.566 0.000 1.020 204 P CB -1.398 29.495 31.700 -1.345 0.000 1.977 205 G N 2.373 110.938 108.800 -0.392 0.000 2.442 205 G HA2 -0.015 nan 3.960 nan 0.000 0.249 205 G HA3 -0.015 nan 3.960 nan 0.000 0.249 205 G C -0.368 174.679 174.900 0.245 0.000 1.263 205 G CA -0.892 44.196 45.100 -0.020 0.000 0.846 205 G HN 0.283 8.665 8.290 -0.276 -0.257 0.555 206 D N -0.063 120.412 120.400 0.125 0.000 2.398 206 D HA 0.080 nan 4.640 nan 0.000 0.210 206 D C -0.794 175.547 176.300 0.069 0.000 1.094 206 D CA 0.304 54.396 54.000 0.154 0.000 0.839 206 D CB 0.668 41.544 40.800 0.126 0.000 0.963 206 D HN 0.099 8.756 8.370 0.030 -0.268 0.506 207 S N -2.498 113.214 115.700 0.021 0.000 2.615 207 S HA 0.130 nan 4.470 nan 0.000 0.269 207 S C -0.313 174.243 174.600 -0.074 0.000 1.161 207 S CA -1.255 56.931 58.200 -0.024 0.000 0.817 207 S CB 2.787 65.967 63.200 -0.033 0.000 1.131 207 S HN -0.941 7.368 8.310 -0.001 0.000 0.467 208 E N 0.837 120.981 120.200 -0.093 0.000 2.107 208 E HA -0.193 nan 4.350 nan 0.000 0.191 208 E C 2.062 178.513 176.600 -0.248 0.000 0.982 208 E CA 2.687 59.007 56.400 -0.133 0.000 0.809 208 E CB 0.032 29.672 29.700 -0.100 0.000 0.756 208 E HN 0.612 8.927 8.360 -0.075 0.000 0.459 209 I N -0.625 119.776 120.570 -0.282 0.000 2.286 209 I HA -0.306 nan 4.170 nan 0.000 0.245 209 I C 1.064 176.822 176.117 -0.597 0.000 1.104 209 I CA 2.534 63.515 61.300 -0.531 0.000 1.397 209 I CB -0.090 37.633 38.000 -0.462 0.000 1.072 209 I HN -0.274 7.806 8.210 -0.199 0.011 0.417 210 D N -0.758 119.460 120.400 -0.303 0.000 2.123 210 D HA -0.419 nan 4.640 nan 0.000 0.196 210 D C 1.939 178.099 176.300 -0.234 0.000 0.992 210 D CA 3.475 57.354 54.000 -0.200 0.000 0.833 210 D CB -0.036 40.711 40.800 -0.088 0.000 0.954 210 D HN -0.629 7.605 8.370 -0.227 0.000 0.455 211 Q N -0.034 119.634 119.800 -0.219 0.000 2.030 211 Q HA -0.301 nan 4.340 nan 0.000 0.204 211 Q C 2.349 178.109 176.000 -0.400 0.000 0.986 211 Q CA 2.824 58.488 55.803 -0.231 0.000 0.843 211 Q CB -0.322 28.331 28.738 -0.142 0.000 0.904 211 Q HN 0.213 8.264 8.270 -0.175 0.114 0.420 212 L N -0.220 120.693 121.223 -0.516 0.000 1.978 212 L HA -0.415 nan 4.340 nan 0.000 0.218 212 L C 2.036 178.295 176.870 -1.019 0.000 1.075 212 L CA 3.392 57.733 54.840 -0.832 0.000 0.767 212 L CB -0.632 40.885 42.059 -0.903 0.000 0.890 212 L HN -0.098 7.864 8.230 -0.447 0.000 0.434 213 F N -3.242 116.267 119.950 -0.735 0.000 2.216 213 F HA -0.526 nan 4.527 nan 0.000 0.300 213 F C 2.182 177.551 175.800 -0.717 0.000 1.085 213 F CA 2.742 60.340 58.000 -0.671 0.000 1.326 213 F CB -0.367 38.449 39.000 -0.306 0.000 1.027 213 F HN -0.079 7.823 8.300 -0.664 0.000 0.497 214 R N -0.562 119.726 120.500 -0.353 0.000 2.105 214 R HA -0.392 nan 4.340 nan 0.000 0.239 214 R C 2.173 178.280 176.300 -0.322 0.000 1.135 214 R CA 3.734 59.660 56.100 -0.291 0.000 0.967 214 R CB -0.323 29.877 30.300 -0.166 0.000 0.861 214 R HN -0.008 8.079 8.270 -0.305 0.000 0.442 215 I N -0.463 119.772 120.570 -0.559 0.000 2.252 215 I HA -0.487 nan 4.170 nan 0.000 0.245 215 I C 1.886 177.995 176.117 -0.013 0.000 1.102 215 I CA 4.143 65.081 61.300 -0.604 0.000 1.385 215 I CB -0.181 37.494 38.000 -0.542 0.000 1.064 215 I HN -0.184 7.682 8.210 -0.570 0.002 0.414 216 F N -1.618 118.255 119.950 -0.128 0.000 2.407 216 F HA -0.340 nan 4.527 nan 0.000 0.299 216 F C 2.506 178.228 175.800 -0.130 0.000 1.097 216 F CA 2.246 60.269 58.000 0.038 0.000 1.422 216 F CB -0.439 38.723 39.000 0.272 0.000 1.067 216 F HN -0.099 7.901 8.300 -0.398 0.061 0.539 217 R N -0.831 119.457 120.500 -0.354 0.000 2.073 217 R HA -0.222 nan 4.340 nan 0.000 0.229 217 R C 1.419 177.632 176.300 -0.146 0.000 1.120 217 R CA 3.491 59.278 56.100 -0.522 0.000 0.967 217 R CB -0.168 29.712 30.300 -0.701 0.000 0.862 217 R HN 0.301 8.116 8.270 -0.574 0.110 0.436 218 T N 0.321 114.839 114.554 -0.060 0.000 2.770 218 T HA -0.024 nan 4.350 nan 0.000 0.263 218 T C 1.629 176.347 174.700 0.030 0.000 1.039 218 T CA 3.737 65.836 62.100 -0.001 0.000 1.142 218 T CB 0.196 69.142 68.868 0.131 0.000 0.868 218 T HN -0.623 7.575 8.240 -0.069 0.000 0.435 219 L N -1.542 119.771 121.223 0.151 0.000 2.640 219 L HA 0.147 nan 4.340 nan 0.000 0.230 219 L C -0.602 176.486 176.870 0.363 0.000 1.123 219 L CA -1.484 53.486 54.840 0.217 0.000 0.900 219 L CB 0.118 42.305 42.059 0.212 0.000 1.146 219 L HN 0.281 8.503 8.230 0.189 0.121 0.484 220 G N -2.022 106.960 108.800 0.303 0.000 2.705 220 G HA2 -0.334 nan 3.960 nan 0.000 0.686 220 G HA3 -0.334 nan 3.960 nan 0.000 0.686 220 G C -1.117 173.932 174.900 0.248 0.000 1.285 220 G CA -0.562 44.703 45.100 0.274 0.000 0.800 220 G HN -0.661 7.660 8.290 0.268 0.129 0.611 221 T N 2.857 117.470 114.554 0.098 0.000 2.870 221 T HA 0.122 nan 4.350 nan 0.000 0.300 221 T C -0.951 173.530 174.700 -0.364 0.000 0.989 221 T CA -1.167 60.726 62.100 -0.346 0.000 1.139 221 T CB -0.374 68.321 68.868 -0.288 0.000 0.920 221 T HN -0.390 7.932 8.240 0.137 0.000 0.537 222 P HA 0.178 nan 4.420 nan 0.000 0.271 222 P C -1.392 175.813 177.300 -0.158 0.000 1.216 222 P CA -0.699 62.150 63.100 -0.418 0.000 0.771 222 P CB 0.777 32.161 31.700 -0.527 0.000 0.864 223 D N 2.054 122.404 120.400 -0.084 0.000 2.506 223 D HA 0.096 nan 4.640 nan 0.000 0.254 223 D C 0.524 176.798 176.300 -0.044 0.000 1.089 223 D CA -1.336 52.631 54.000 -0.055 0.000 1.050 223 D CB 1.751 42.533 40.800 -0.030 0.000 1.221 223 D HN 0.005 8.337 8.370 -0.062 0.000 0.589 224 E N -1.440 118.720 120.200 -0.067 0.000 2.409 224 E HA -0.220 nan 4.350 nan 0.000 0.198 224 E C 1.118 177.730 176.600 0.019 0.000 1.024 224 E CA 2.825 59.200 56.400 -0.041 0.000 0.861 224 E CB -0.393 29.265 29.700 -0.071 0.000 0.788 224 E HN 0.311 8.620 8.360 -0.084 0.000 0.521 225 V N -3.115 116.813 119.914 0.024 0.000 2.283 225 V HA -0.154 nan 4.120 nan 0.000 0.243 225 V C 1.108 177.246 176.094 0.074 0.000 1.039 225 V CA 2.284 64.610 62.300 0.043 0.000 1.016 225 V CB -0.395 31.446 31.823 0.031 0.000 0.650 225 V HN -0.165 8.042 8.190 0.003 -0.015 0.449 226 V N -7.032 112.936 119.914 0.090 0.000 2.951 226 V HA 0.148 nan 4.120 nan 0.000 0.255 226 V C -0.447 175.787 176.094 0.233 0.000 1.088 226 V CA 0.815 63.190 62.300 0.125 0.000 1.109 226 V CB 0.545 32.447 31.823 0.130 0.000 0.724 226 V HN -0.642 7.593 8.190 0.079 0.002 0.471 227 W N 1.423 122.715 121.300 -0.013 0.000 2.492 227 W HA 0.588 nan 4.660 nan 0.000 0.287 227 W C -3.160 173.349 176.519 -0.017 0.000 1.008 227 W CA -4.604 52.746 57.345 0.009 0.000 1.557 227 W CB 1.211 30.672 29.460 0.002 0.000 1.419 227 W HN 0.004 8.322 8.180 0.230 0.000 0.408 228 P HA 0.090 nan 4.420 nan 0.000 0.271 228 P C -0.924 176.430 177.300 0.091 0.000 1.233 228 P CA 0.565 63.749 63.100 0.142 0.000 0.764 228 P CB -0.480 31.298 31.700 0.130 0.000 0.825 229 G N 2.670 111.414 108.800 -0.093 0.000 2.428 229 G HA2 -0.342 nan 3.960 nan 0.000 0.199 229 G HA3 -0.342 nan 3.960 nan 0.000 0.199 229 G C 1.138 175.800 174.900 -0.397 0.000 1.005 229 G CA 0.152 45.150 45.100 -0.170 0.000 0.671 229 G HN -0.025 8.633 8.290 -0.124 -0.442 0.485 230 V N 1.249 120.776 119.914 -0.645 0.000 2.277 230 V HA -0.517 nan 4.120 nan 0.000 0.255 230 V C 1.897 177.432 176.094 -0.932 0.000 1.074 230 V CA 3.896 65.638 62.300 -0.930 0.000 1.058 230 V CB -1.435 29.871 31.823 -0.862 0.000 0.656 230 V HN 0.471 8.266 8.190 -0.574 0.050 0.449 231 T N -5.332 108.692 114.554 -0.884 0.000 3.067 231 T HA -0.047 nan 4.350 nan 0.000 0.261 231 T C 1.560 175.952 174.700 -0.513 0.000 1.110 231 T CA 2.407 63.809 62.100 -1.163 0.000 1.113 231 T CB -0.322 68.101 68.868 -0.741 0.000 0.917 231 T HN -0.421 7.621 8.240 -0.656 -0.196 0.499 232 S N 1.963 117.453 115.700 -0.350 0.000 2.607 232 S HA -0.047 nan 4.470 nan 0.000 0.224 232 S C 0.058 174.582 174.600 -0.127 0.000 0.969 232 S CA 1.326 59.417 58.200 -0.182 0.000 0.927 232 S CB 0.007 63.123 63.200 -0.141 0.000 0.772 232 S HN -0.334 7.711 8.310 -0.383 0.034 0.533 233 M N 2.705 122.208 119.600 -0.161 0.000 2.250 233 M HA 0.292 nan 4.480 nan 0.000 0.344 233 M C -1.889 174.442 176.300 0.050 0.000 1.150 233 M CA -1.877 53.388 55.300 -0.059 0.000 1.147 233 M CB 0.971 33.502 32.600 -0.114 0.000 1.498 233 M HN -0.837 7.074 8.290 -0.289 0.206 0.461 234 P HA -0.232 nan 4.420 nan 0.000 0.215 234 P C 0.189 177.535 177.300 0.076 0.000 1.157 234 P CA 2.449 65.586 63.100 0.062 0.000 0.868 234 P CB 0.144 31.881 31.700 0.062 0.000 0.788 235 D N -5.133 115.335 120.400 0.114 0.000 2.368 235 D HA 0.141 nan 4.640 nan 0.000 0.218 235 D C -0.780 175.605 176.300 0.140 0.000 1.112 235 D CA -0.626 53.441 54.000 0.112 0.000 0.834 235 D CB 0.606 41.479 40.800 0.122 0.000 0.953 235 D HN 0.080 8.434 8.370 0.136 0.098 0.505 236 Y N 1.993 122.314 120.300 0.035 0.000 2.526 236 Y HA -0.293 nan 4.550 nan 0.000 0.330 236 Y C -1.199 174.459 175.900 -0.403 0.000 1.156 236 Y CA 1.399 59.473 58.100 -0.043 0.000 1.419 236 Y CB 0.626 39.074 38.460 -0.019 0.000 1.250 236 Y HN -0.783 7.578 8.280 0.226 0.055 0.540 237 K N 8.460 127.842 120.400 -1.697 0.000 2.413 237 K HA 0.454 nan 4.320 nan 0.000 0.257 237 K C -1.718 174.180 176.600 -1.170 0.000 0.946 237 K CA -4.348 51.193 56.287 -1.243 0.000 0.823 237 K CB 0.891 32.604 32.500 -1.311 0.000 1.109 237 K HN -0.022 5.668 8.250 -4.267 0.000 0.427 238 P HA -0.162 nan 4.420 nan 0.000 0.217 238 P C -0.559 176.624 177.300 -0.195 0.000 1.148 238 P CA 2.188 65.192 63.100 -0.159 0.000 0.834 238 P CB -0.087 31.578 31.700 -0.058 0.000 0.783 239 S N -5.217 110.338 115.700 -0.241 0.000 2.547 239 S HA -0.134 nan 4.470 nan 0.000 0.235 239 S C -0.165 174.388 174.600 -0.079 0.000 0.980 239 S CA 0.098 58.206 58.200 -0.152 0.000 0.941 239 S CB -0.066 63.072 63.200 -0.103 0.000 0.763 239 S HN -0.234 7.896 8.310 -0.284 0.010 0.532 240 F N 4.912 124.782 119.950 -0.132 0.000 2.548 240 F HA -0.080 nan 4.527 nan 0.000 0.403 240 F C -1.173 174.412 175.800 -0.358 0.000 1.004 240 F CA -2.032 55.890 58.000 -0.130 0.000 1.177 240 F CB -1.121 37.820 39.000 -0.097 0.000 0.974 240 F HN -0.317 7.514 8.300 -0.453 0.197 0.541 241 P HA 0.003 nan 4.420 nan 0.000 0.266 241 P C -1.898 174.866 177.300 -0.893 0.000 1.195 241 P CA -0.455 62.104 63.100 -0.901 0.000 0.768 241 P CB 0.645 31.430 31.700 -1.525 0.000 0.838 242 K N 2.859 122.896 120.400 -0.606 0.000 2.262 242 K HA 0.232 nan 4.320 nan 0.000 0.282 242 K C -1.015 175.340 176.600 -0.408 0.000 1.066 242 K CA -0.438 55.608 56.287 -0.401 0.000 0.901 242 K CB 0.965 33.343 32.500 -0.203 0.000 1.089 242 K HN 0.032 7.932 8.250 -0.582 0.000 0.476 243 W N 5.215 126.483 121.300 -0.053 0.000 2.436 243 W HA 0.100 nan 4.660 nan 0.000 0.347 243 W C -0.922 175.596 176.519 -0.002 0.000 1.136 243 W CA -0.760 56.575 57.345 -0.017 0.000 1.286 243 W CB 2.316 31.787 29.460 0.020 0.000 1.253 243 W HN 0.375 8.695 8.180 0.233 0.000 0.617 244 A N 1.222 124.199 122.820 0.261 0.000 2.304 244 A HA 0.217 nan 4.320 nan 0.000 0.301 244 A C -0.911 176.759 177.584 0.143 0.000 1.132 244 A CA -0.836 51.293 52.037 0.154 0.000 0.819 244 A CB 1.432 20.493 19.000 0.102 0.000 1.094 244 A HN 0.080 8.419 8.150 0.315 0.000 0.492 245 R N 0.883 121.455 120.500 0.119 0.000 2.473 245 R HA -0.226 nan 4.340 nan 0.000 0.315 245 R C -0.167 176.151 176.300 0.030 0.000 0.972 245 R CA 0.990 57.143 56.100 0.088 0.000 1.047 245 R CB -0.074 30.288 30.300 0.102 0.000 0.932 245 R HN 0.268 8.598 8.270 0.099 0.000 0.411 246 Q N 5.066 124.851 119.800 -0.025 0.000 2.368 246 Q HA -0.093 nan 4.340 nan 0.000 0.237 246 Q C -1.118 174.796 176.000 -0.143 0.000 0.987 246 Q CA 0.410 56.163 55.803 -0.084 0.000 0.896 246 Q CB 1.053 29.717 28.738 -0.123 0.000 1.241 246 Q HN -0.114 8.035 8.270 -0.026 0.106 0.485 247 D N 0.107 120.445 120.400 -0.105 0.000 2.256 247 D HA 0.097 nan 4.640 nan 0.000 0.250 247 D C 1.097 177.322 176.300 -0.125 0.000 1.093 247 D CA -0.393 53.568 54.000 -0.065 0.000 0.882 247 D CB 1.228 42.025 40.800 -0.006 0.000 1.185 247 D HN -0.019 8.295 8.370 -0.094 0.000 0.437 248 F N 3.969 123.903 119.950 -0.027 0.000 2.250 248 F HA -0.324 nan 4.527 nan 0.000 0.301 248 F C 1.305 177.057 175.800 -0.079 0.000 1.077 248 F CA 3.069 61.031 58.000 -0.063 0.000 1.348 248 F CB 0.426 39.383 39.000 -0.072 0.000 1.040 248 F HN 0.471 8.884 8.300 0.188 0.000 0.509 249 S N -1.867 113.894 115.700 0.102 0.000 2.419 249 S HA -0.341 nan 4.470 nan 0.000 0.233 249 S C 0.919 175.513 174.600 -0.010 0.000 1.016 249 S CA 2.472 60.694 58.200 0.037 0.000 0.974 249 S CB -0.476 62.739 63.200 0.025 0.000 0.786 249 S HN -0.519 8.068 8.310 0.109 -0.211 0.492 250 K N -0.937 119.440 120.400 -0.038 0.000 2.186 250 K HA -0.017 nan 4.320 nan 0.000 0.202 250 K C 0.788 177.330 176.600 -0.096 0.000 1.052 250 K CA 1.360 57.608 56.287 -0.066 0.000 0.965 250 K CB 0.915 33.370 32.500 -0.075 0.000 0.746 250 K HN -0.564 7.509 8.250 -0.034 0.156 0.457 251 V N -1.734 118.102 119.914 -0.130 0.000 2.500 251 V HA 0.021 nan 4.120 nan 0.000 0.243 251 V C -0.006 176.005 176.094 -0.138 0.000 1.039 251 V CA 1.740 63.934 62.300 -0.177 0.000 1.053 251 V CB 2.087 33.725 31.823 -0.309 0.000 0.695 251 V HN -0.628 7.307 8.190 -0.094 0.198 0.463 252 V N -5.786 114.083 119.914 -0.075 0.000 2.326 252 V HA 0.698 nan 4.120 nan 0.000 0.254 252 V C -2.778 173.257 176.094 -0.098 0.000 1.022 252 V CA -5.305 56.928 62.300 -0.112 0.000 1.074 252 V CB -1.604 30.112 31.823 -0.178 0.000 1.305 252 V HN -0.473 7.706 8.190 -0.019 0.000 0.506 253 P HA 0.467 nan 4.420 nan 0.000 0.279 253 P C -1.658 175.605 177.300 -0.061 0.000 1.239 253 P CA -1.716 61.349 63.100 -0.059 0.000 0.789 253 P CB 0.119 31.791 31.700 -0.047 0.000 0.933 254 P HA 0.225 nan 4.420 nan 0.000 0.223 254 P C -0.680 176.602 177.300 -0.031 0.000 1.878 254 P CA -1.215 61.865 63.100 -0.033 0.000 1.038 254 P CB -0.110 31.578 31.700 -0.018 0.000 1.774 255 L N 2.486 123.669 121.223 -0.066 0.000 2.525 255 L HA -0.156 nan 4.340 nan 0.000 0.278 255 L C 0.149 176.999 176.870 -0.033 0.000 1.218 255 L CA 0.864 55.662 54.840 -0.070 0.000 0.878 255 L CB 0.659 42.598 42.059 -0.199 0.000 1.127 255 L HN -0.273 7.905 8.230 -0.087 0.000 0.492 256 D N 3.076 123.490 120.400 0.023 0.000 2.354 256 D HA -0.156 nan 4.640 nan 0.000 0.238 256 D C 0.811 177.115 176.300 0.007 0.000 1.250 256 D CA -0.242 53.781 54.000 0.038 0.000 0.911 256 D CB 0.833 41.686 40.800 0.089 0.000 1.163 256 D HN -0.086 8.326 8.370 0.070 0.000 0.456 257 E N -0.490 119.723 120.200 0.022 0.000 2.085 257 E HA -0.380 nan 4.350 nan 0.000 0.194 257 E C 1.923 178.529 176.600 0.011 0.000 0.994 257 E CA 3.583 59.988 56.400 0.008 0.000 0.801 257 E CB -0.005 29.707 29.700 0.019 0.000 0.743 257 E HN 0.427 8.802 8.360 0.026 0.000 0.453 258 D N -1.572 118.876 120.400 0.078 0.000 2.178 258 D HA -0.195 nan 4.640 nan 0.000 0.202 258 D C 2.574 178.852 176.300 -0.036 0.000 0.974 258 D CA 2.826 56.929 54.000 0.171 0.000 0.841 258 D CB -0.510 40.471 40.800 0.302 0.000 0.953 258 D HN -0.449 8.154 8.370 0.105 -0.170 0.478 259 G N 0.069 108.755 108.800 -0.191 0.000 2.421 259 G HA2 -0.355 nan 3.960 nan 0.000 0.216 259 G HA3 -0.355 nan 3.960 nan 0.000 0.216 259 G C 1.216 175.839 174.900 -0.461 0.000 1.171 259 G CA 1.940 46.651 45.100 -0.648 0.000 0.775 259 G HN -0.315 8.095 8.290 -0.014 -0.128 0.543 260 R N 1.430 121.743 120.500 -0.311 0.000 2.115 260 R HA -0.299 nan 4.340 nan 0.000 0.230 260 R C 2.941 179.010 176.300 -0.384 0.000 1.111 260 R CA 3.624 59.509 56.100 -0.358 0.000 0.976 260 R CB -0.022 30.145 30.300 -0.222 0.000 0.870 260 R HN 0.190 8.261 8.270 -0.213 0.072 0.445 261 S N 1.072 116.643 115.700 -0.214 0.000 2.368 261 S HA -0.313 nan 4.470 nan 0.000 0.225 261 S C 1.679 176.116 174.600 -0.272 0.000 1.030 261 S CA 3.474 61.584 58.200 -0.150 0.000 0.999 261 S CB -0.610 62.642 63.200 0.087 0.000 0.844 261 S HN -0.100 8.127 8.310 -0.138 0.000 0.459 262 L N 2.428 123.346 121.223 -0.508 0.000 1.976 262 L HA -0.426 nan 4.340 nan 0.000 0.223 262 L C 1.965 178.620 176.870 -0.358 0.000 1.081 262 L CA 2.990 57.465 54.840 -0.609 0.000 0.784 262 L CB -0.290 41.358 42.059 -0.686 0.000 0.896 262 L HN -0.144 7.787 8.230 -0.497 0.000 0.438 263 L N -2.960 118.057 121.223 -0.344 0.000 2.021 263 L HA -0.547 nan 4.340 nan 0.000 0.215 263 L C 2.136 178.718 176.870 -0.480 0.000 1.074 263 L CA 3.272 57.886 54.840 -0.377 0.000 0.760 263 L CB -0.277 41.422 42.059 -0.601 0.000 0.889 263 L HN 0.423 8.312 8.230 -0.391 0.107 0.433 264 S N -2.329 112.980 115.700 -0.651 0.000 2.368 264 S HA -0.401 nan 4.470 nan 0.000 0.225 264 S C 1.965 176.402 174.600 -0.272 0.000 1.030 264 S CA 3.006 60.888 58.200 -0.531 0.000 0.999 264 S CB -0.324 62.573 63.200 -0.504 0.000 0.844 264 S HN -0.318 7.591 8.310 -0.641 0.016 0.459 265 Q N 0.080 119.645 119.800 -0.392 0.000 2.181 265 Q HA -0.236 nan 4.340 nan 0.000 0.205 265 Q C 2.596 178.387 176.000 -0.348 0.000 0.980 265 Q CA 2.425 57.893 55.803 -0.558 0.000 0.862 265 Q CB 0.348 28.883 28.738 -0.339 0.000 0.905 265 Q HN -0.733 7.328 8.270 -0.350 0.000 0.429 266 M N -2.896 116.569 119.600 -0.226 0.000 2.541 266 M HA -0.116 nan 4.480 nan 0.000 0.252 266 M C 1.206 177.404 176.300 -0.170 0.000 1.125 266 M CA 2.438 57.659 55.300 -0.133 0.000 1.091 266 M CB 0.402 32.944 32.600 -0.096 0.000 1.420 266 M HN -0.621 7.438 8.290 -0.246 0.083 0.486 267 L N -5.484 115.611 121.223 -0.214 0.000 2.607 267 L HA 0.081 nan 4.340 nan 0.000 0.228 267 L C -0.207 176.683 176.870 0.034 0.000 1.123 267 L CA -0.858 53.799 54.840 -0.306 0.000 0.890 267 L CB -0.401 41.462 42.059 -0.325 0.000 1.103 267 L HN -0.817 7.134 8.230 -0.216 0.149 0.468 268 H N -0.445 118.612 119.070 -0.022 0.000 3.064 268 H HA -0.160 nan 4.556 nan 0.000 0.329 268 H C 0.521 175.874 175.328 0.041 0.000 1.020 268 H CA 0.380 56.443 56.048 0.024 0.000 1.402 268 H CB 1.226 31.001 29.762 0.023 0.000 1.379 268 H HN -0.841 7.433 8.280 0.101 0.066 0.594 269 Y N 3.729 124.076 120.300 0.078 0.000 2.089 269 Y HA -0.423 nan 4.550 nan 0.000 0.282 269 Y C 0.921 176.269 175.900 -0.919 0.000 1.139 269 Y CA 2.954 60.924 58.100 -0.217 0.000 1.123 269 Y CB 0.323 38.751 38.460 -0.054 0.000 0.980 269 Y HN 0.425 8.782 8.280 0.128 0.000 0.493 270 D N -2.836 117.198 120.400 -0.611 0.000 2.401 270 D HA 0.057 nan 4.640 nan 0.000 0.254 270 D C -0.688 175.401 176.300 -0.351 0.000 1.192 270 D CA -2.241 51.228 54.000 -0.885 0.000 0.885 270 D CB 0.375 40.976 40.800 -0.331 0.000 1.147 270 D HN -0.239 8.022 8.370 -0.181 0.000 0.478 271 P HA -0.161 nan 4.420 nan 0.000 0.217 271 P C -0.318 177.003 177.300 0.034 0.000 1.148 271 P CA 1.751 64.823 63.100 -0.046 0.000 0.828 271 P CB 0.220 31.955 31.700 0.059 0.000 0.783 272 N N -4.564 114.163 118.700 0.045 0.000 2.467 272 N HA -0.091 nan 4.740 nan 0.000 0.184 272 N C 0.555 176.112 175.510 0.078 0.000 1.106 272 N CA 1.177 54.271 53.050 0.072 0.000 0.892 272 N CB 0.378 38.918 38.487 0.087 0.000 0.969 272 N HN -0.468 8.075 8.380 0.025 -0.149 0.454 273 K N -0.817 119.634 120.400 0.084 0.000 2.262 273 K HA -0.041 nan 4.320 nan 0.000 0.200 273 K C 0.309 176.991 176.600 0.137 0.000 1.049 273 K CA 0.704 57.084 56.287 0.154 0.000 0.979 273 K CB 0.793 33.436 32.500 0.238 0.000 0.773 273 K HN -0.315 7.773 8.250 0.049 0.192 0.474 274 R N -1.130 119.428 120.500 0.097 0.000 2.694 274 R HA -0.101 nan 4.340 nan 0.000 0.268 274 R C -0.202 176.105 176.300 0.012 0.000 1.061 274 R CA 0.060 56.187 56.100 0.045 0.000 1.133 274 R CB 0.577 30.931 30.300 0.089 0.000 1.020 274 R HN -0.663 7.549 8.270 0.086 0.110 0.475 275 I N 2.117 122.659 120.570 -0.046 0.000 2.754 275 I HA -0.138 nan 4.170 nan 0.000 0.285 275 I C -1.102 175.043 176.117 0.046 0.000 1.166 275 I CA 0.029 61.326 61.300 -0.006 0.000 1.417 275 I CB 0.932 38.913 38.000 -0.031 0.000 1.382 275 I HN 0.097 8.132 8.210 -0.111 0.108 0.588 276 S N 7.047 122.786 115.700 0.066 0.000 2.661 276 S HA -0.042 nan 4.470 nan 0.000 0.265 276 S C 0.239 174.898 174.600 0.099 0.000 1.225 276 S CA -0.500 57.756 58.200 0.094 0.000 0.986 276 S CB 2.774 66.028 63.200 0.089 0.000 1.008 276 S HN -0.267 8.080 8.310 0.061 0.000 0.565 277 A N 0.039 122.933 122.820 0.124 0.000 1.968 277 A HA -0.090 nan 4.320 nan 0.000 0.217 277 A C 2.012 179.619 177.584 0.038 0.000 1.169 277 A CA 3.048 55.129 52.037 0.073 0.000 0.638 277 A CB -0.368 18.664 19.000 0.053 0.000 0.812 277 A HN 0.652 8.900 8.150 0.162 0.000 0.446 278 K N -1.579 118.852 120.400 0.053 0.000 2.167 278 K HA -0.201 nan 4.320 nan 0.000 0.203 278 K C 1.020 177.661 176.600 0.069 0.000 1.052 278 K CA 1.871 58.184 56.287 0.042 0.000 0.956 278 K CB -0.111 32.415 32.500 0.042 0.000 0.735 278 K HN -0.132 8.138 8.250 0.072 0.023 0.451 279 A N -1.604 121.266 122.820 0.084 0.000 1.929 279 A HA -0.104 nan 4.320 nan 0.000 0.216 279 A C 1.903 179.585 177.584 0.164 0.000 1.176 279 A CA 2.248 54.349 52.037 0.108 0.000 0.628 279 A CB -0.300 18.757 19.000 0.095 0.000 0.816 279 A HN -0.552 7.644 8.150 0.077 0.000 0.444 280 A N -0.702 122.214 122.820 0.161 0.000 2.024 280 A HA -0.222 nan 4.320 nan 0.000 0.220 280 A C 1.704 179.519 177.584 0.386 0.000 1.164 280 A CA 2.591 54.776 52.037 0.247 0.000 0.643 280 A CB -0.676 18.426 19.000 0.170 0.000 0.806 280 A HN -0.170 8.051 8.150 0.117 0.000 0.451 281 L N -2.428 118.918 121.223 0.206 0.000 2.191 281 L HA -0.182 nan 4.340 nan 0.000 0.212 281 L C 1.514 178.611 176.870 0.380 0.000 1.103 281 L CA 1.262 56.203 54.840 0.169 0.000 0.769 281 L CB -0.675 41.387 42.059 0.005 0.000 0.908 281 L HN -0.336 7.834 8.230 0.125 0.135 0.438 282 A N -2.885 120.117 122.820 0.304 0.000 2.238 282 A HA -0.131 nan 4.320 nan 0.000 0.208 282 A C -0.459 177.300 177.584 0.291 0.000 1.177 282 A CA 0.478 52.671 52.037 0.260 0.000 0.804 282 A CB -0.052 19.042 19.000 0.157 0.000 0.823 282 A HN -0.494 7.638 8.150 0.291 0.193 0.482 283 H N 0.563 119.819 119.070 0.311 0.000 2.732 283 H HA 0.145 nan 4.556 nan 0.000 0.351 283 H C -0.938 174.462 175.328 0.121 0.000 1.090 283 H CA -0.746 55.411 56.048 0.182 0.000 1.431 283 H CB 0.895 30.749 29.762 0.153 0.000 1.447 283 H HN -0.805 7.689 8.280 0.528 0.103 0.582 284 P HA -0.359 nan 4.420 nan 0.000 0.218 284 P C 1.291 178.648 177.300 0.094 0.000 1.150 284 P CA 2.592 65.671 63.100 -0.035 0.000 0.841 284 P CB -0.041 31.561 31.700 -0.164 0.000 0.784 285 F N -0.823 119.199 119.950 0.119 0.000 2.154 285 F HA -0.421 nan 4.527 nan 0.000 0.301 285 F C 0.424 175.909 175.800 -0.526 0.000 1.087 285 F CA 2.983 60.810 58.000 -0.288 0.000 1.274 285 F CB 0.523 39.188 39.000 -0.558 0.000 1.009 285 F HN -0.356 8.471 8.300 0.958 0.047 0.485 286 F N -4.476 115.476 119.950 0.004 0.000 2.693 286 F HA -0.064 nan 4.527 nan 0.000 0.303 286 F C 1.284 176.928 175.800 -0.260 0.000 1.143 286 F CA -0.623 57.226 58.000 -0.251 0.000 1.389 286 F CB -1.817 37.064 39.000 -0.198 0.000 1.060 286 F HN 0.144 8.280 8.300 -0.066 0.125 0.535 287 Q N 1.168 120.906 119.800 -0.105 0.000 1.978 287 Q HA -0.357 nan 4.340 nan 0.000 0.211 287 Q C 1.258 177.181 176.000 -0.127 0.000 1.013 287 Q CA 2.673 58.420 55.803 -0.093 0.000 0.869 287 Q CB -0.694 27.991 28.738 -0.087 0.000 0.953 287 Q HN -0.485 7.504 8.270 -0.123 0.208 0.415 288 D N -2.020 118.276 120.400 -0.173 0.000 2.344 288 D HA 0.011 nan 4.640 nan 0.000 0.242 288 D C -0.189 175.993 176.300 -0.197 0.000 1.159 288 D CA -0.944 52.956 54.000 -0.166 0.000 0.859 288 D CB -0.770 39.941 40.800 -0.149 0.000 0.925 288 D HN 0.219 8.389 8.370 -0.243 0.054 0.510 289 V N -4.436 115.330 119.914 -0.247 0.000 2.540 289 V HA 0.024 nan 4.120 nan 0.000 0.297 289 V C 0.532 176.503 176.094 -0.205 0.000 1.024 289 V CA 0.288 62.417 62.300 -0.285 0.000 1.105 289 V CB -1.058 30.428 31.823 -0.561 0.000 0.938 289 V HN -0.661 7.313 8.190 -0.246 0.068 0.482 290 T N 3.120 117.587 114.554 -0.145 0.000 2.735 290 T HA 0.314 nan 4.350 nan 0.000 0.262 290 T C -1.808 172.859 174.700 -0.055 0.000 0.955 290 T CA -1.122 60.923 62.100 -0.091 0.000 1.022 290 T CB 1.942 70.765 68.868 -0.075 0.000 1.455 290 T HN 0.258 8.414 8.240 -0.141 0.000 0.583 291 K N 0.445 120.825 120.400 -0.034 0.000 2.752 291 K HA 0.437 nan 4.320 nan 0.000 0.199 291 K C -2.354 174.232 176.600 -0.023 0.000 1.069 291 K CA -2.478 53.802 56.287 -0.012 0.000 1.033 291 K CB 1.059 33.569 32.500 0.017 0.000 1.229 291 K HN 0.165 8.394 8.250 -0.035 0.000 0.572 292 P HA -0.013 nan 4.420 nan 0.000 0.271 292 P C -1.844 175.435 177.300 -0.034 0.000 1.233 292 P CA -0.284 62.787 63.100 -0.048 0.000 0.789 292 P CB 0.724 32.385 31.700 -0.066 0.000 0.951 293 V N 0.974 120.873 119.914 -0.025 0.000 2.495 293 V HA 0.364 nan 4.120 nan 0.000 0.298 293 V C -1.710 174.384 176.094 -0.000 0.000 1.031 293 V CA -2.673 59.620 62.300 -0.012 0.000 0.871 293 V CB 1.491 33.303 31.823 -0.020 0.000 0.988 293 V HN 0.206 8.380 8.190 -0.027 0.000 0.432 294 P HA 0.242 nan 4.420 nan 0.000 0.282 294 P C -2.136 175.248 177.300 0.140 0.000 1.287 294 P CA -0.798 62.370 63.100 0.114 0.000 0.792 294 P CB 1.285 33.020 31.700 0.058 0.000 1.163 295 H N 0.826 120.016 119.070 0.200 0.000 2.741 295 H HA 0.119 nan 4.556 nan 0.000 0.261 295 H C -1.120 174.331 175.328 0.205 0.000 1.365 295 H CA -0.903 55.247 56.048 0.170 0.000 1.266 295 H CB -1.394 28.459 29.762 0.151 0.000 1.485 295 H HN 0.180 8.769 8.280 0.514 0.000 0.529 296 L N 5.710 127.121 121.223 0.314 0.000 2.431 296 L HA 0.257 nan 4.340 nan 0.000 0.260 296 L C 0.030 177.045 176.870 0.242 0.000 1.098 296 L CA -0.166 54.807 54.840 0.221 0.000 0.800 296 L CB 1.132 43.235 42.059 0.072 0.000 1.210 296 L HN -0.031 8.354 8.230 0.259 0.000 0.465 297 R N 0.470 121.050 120.500 0.133 0.000 2.905 297 R HA 0.675 nan 4.340 nan 0.000 0.260 297 R C -2.120 174.213 176.300 0.056 0.000 1.086 297 R CA -0.487 55.669 56.100 0.094 0.000 0.978 297 R CB 2.088 32.435 30.300 0.079 0.000 1.215 297 R HN 0.037 8.374 8.270 0.111 0.000 0.480 298 L N 0.000 121.247 121.223 0.040 0.000 2.949 298 L HA 0.000 nan 4.340 nan 0.000 0.249 298 L CA 0.000 54.862 54.840 0.037 0.000 0.813 298 L CB 0.000 42.072 42.059 0.022 0.000 0.961 298 L HN 0.000 8.256 8.230 0.043 0.000 0.502