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 1eji_1_C DATA FIRST_RESID 7 DATA SEQUENCE MADRDATLWA SHEKXLSQPL KDSDAEVYSI IKKESNRQRV GLELIASENF DATA SEQUENCE ASRAVLEALG SSLNNKYSEG YPGQRYYGGT EFIDELEXLC QKRALQAYHL DATA SEQUENCE DPQCWGVNVQ PYSGSPANFA VYTALVEPHG RIXGLDLPDG GHLTHGFXTD DATA SEQUENCE KKKISATSIF FESXPYKVYP ETGYINYDQL EENASLFHPK LIIAGTSCYS DATA SEQUENCE RNLDYARLRK IADDNGAYLX ADXAHISGLV AAGVVPSPFE HCHVVTTTTH DATA SEQUENCE KTLRGCRAGX IFYRKGVRSV DPKTGKETYY ELESLINSAV FPGLQGGPHN DATA SEQUENCE HAIAGVAVAL KQAXTTEFKI YQLQVLANCR ALSDALTELG YKIVTGGSDN DATA SEQUENCE HLILXDLRSK GTDGGRAEKV LEACSIACNK NTCPGDKSAL RPSGLRLGTP DATA SEQUENCE ALTSRGLLEE DFQKVAHFIH RGIELTLQIQ SHXATKATLK EFKEKLAGDE DATA SEQUENCE KIQSAVATLR EEVENFASNF SLPGLPDF 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.302 176.300 0.003 0.000 1.140 7 M CA 0.000 55.306 55.300 0.010 0.000 0.988 7 M CB 0.000 32.614 32.600 0.023 0.000 1.302 8 A N 2.650 125.477 122.820 0.012 0.000 3.369 8 A HA 0.487 4.807 4.320 -0.000 0.000 0.186 8 A C 0.524 178.120 177.584 0.019 0.000 1.849 8 A CA 0.154 52.196 52.037 0.009 0.000 0.881 8 A CB 0.166 19.171 19.000 0.008 0.000 1.850 8 A HN 0.857 nan 8.150 nan 0.000 0.656 9 D N -0.457 119.954 120.400 0.018 0.000 2.348 9 D HA -0.049 4.591 4.640 -0.000 0.000 0.216 9 D C 1.985 178.305 176.300 0.034 0.000 0.970 9 D CA 0.446 54.462 54.000 0.025 0.000 0.889 9 D CB -0.102 40.709 40.800 0.018 0.000 0.912 9 D HN 0.396 nan 8.370 nan 0.000 0.524 10 R N 0.910 121.429 120.500 0.031 0.000 2.171 10 R HA -0.162 4.178 4.340 -0.000 0.000 0.232 10 R C 1.654 177.981 176.300 0.045 0.000 1.116 10 R CA 1.666 57.786 56.100 0.033 0.000 0.901 10 R CB -0.309 30.008 30.300 0.029 0.000 0.850 10 R HN 0.231 nan 8.270 nan 0.000 0.431 11 D N 0.098 120.537 120.400 0.065 0.000 2.197 11 D HA 0.030 4.670 4.640 -0.000 0.000 0.212 11 D C 1.920 178.305 176.300 0.143 0.000 0.963 11 D CA 0.979 55.033 54.000 0.089 0.000 0.864 11 D CB -0.527 40.337 40.800 0.108 0.000 1.009 11 D HN 0.250 nan 8.370 nan 0.000 0.479 12 A N 1.163 124.093 122.820 0.183 0.000 2.156 12 A HA -0.322 3.998 4.320 -0.000 0.000 0.226 12 A C 2.198 179.905 177.584 0.205 0.000 1.199 12 A CA 2.393 54.564 52.037 0.223 0.000 0.689 12 A CB -1.338 17.719 19.000 0.095 0.000 0.823 12 A HN 0.291 nan 8.150 nan 0.000 0.495 13 T N 0.137 114.768 114.554 0.129 0.000 2.545 13 T HA -0.154 4.196 4.350 -0.000 0.000 0.261 13 T C 1.692 176.458 174.700 0.111 0.000 1.097 13 T CA 1.648 63.806 62.100 0.096 0.000 1.189 13 T CB -0.522 68.379 68.868 0.056 0.000 0.863 13 T HN 0.311 nan 8.240 nan 0.000 0.405 14 L N -0.268 120.995 121.223 0.067 0.000 2.123 14 L HA -0.169 4.171 4.340 -0.000 0.000 0.217 14 L C 2.130 179.013 176.870 0.022 0.000 1.081 14 L CA 1.525 56.371 54.840 0.010 0.000 0.772 14 L CB -1.284 40.735 42.059 -0.067 0.000 0.890 14 L HN 0.402 nan 8.230 nan 0.000 0.437 15 W N -0.620 120.693 121.300 0.022 0.000 2.361 15 W HA -0.254 4.406 4.660 -0.000 0.000 0.270 15 W C 2.416 178.977 176.519 0.069 0.000 1.210 15 W CA 1.349 58.713 57.345 0.033 0.000 1.174 15 W CB -0.219 29.240 29.460 -0.002 0.000 1.131 15 W HN 0.202 nan 8.180 nan 0.000 0.575 16 A N -1.155 121.807 122.820 0.238 0.000 1.898 16 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 16 A C 2.038 179.687 177.584 0.107 0.000 1.183 16 A CA 1.741 53.875 52.037 0.161 0.000 0.622 16 A CB -0.914 18.149 19.000 0.106 0.000 0.824 16 A HN 0.127 nan 8.150 nan 0.000 0.444 17 S N -0.824 114.918 115.700 0.069 0.000 2.344 17 S HA -0.192 4.278 4.470 -0.000 0.000 0.217 17 S C 1.990 176.598 174.600 0.015 0.000 1.033 17 S CA 1.164 59.379 58.200 0.025 0.000 1.017 17 S CB -0.756 62.444 63.200 0.001 0.000 0.941 17 S HN 0.762 nan 8.310 nan 0.000 0.430 18 H N 1.499 120.505 119.070 -0.108 0.000 2.431 18 H HA -0.177 4.379 4.556 -0.000 0.000 0.297 18 H C 2.183 177.476 175.328 -0.058 0.000 1.115 18 H CA 2.115 58.066 56.048 -0.161 0.000 1.277 18 H CB -0.201 29.321 29.762 -0.401 0.000 1.372 18 H HN 0.419 nan 8.280 nan 0.000 0.516 19 E N 1.241 121.516 120.200 0.125 0.000 2.031 19 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 19 E C 1.330 177.931 176.600 0.001 0.000 0.994 19 E CA 1.004 57.480 56.400 0.126 0.000 0.800 19 E CB -0.156 29.661 29.700 0.195 0.000 0.752 19 E HN 0.396 nan 8.360 nan 0.000 0.447 23 S N -2.381 113.283 115.700 -0.059 0.000 2.679 23 S HA 0.065 4.534 4.470 -0.000 0.000 0.258 23 S C 0.495 175.074 174.600 -0.035 0.000 1.068 23 S CA -0.233 57.945 58.200 -0.036 0.000 1.115 23 S CB 0.518 63.704 63.200 -0.023 0.000 1.078 23 S HN 0.321 nan 8.310 nan 0.000 0.603 24 Q N 2.779 122.552 119.800 -0.044 0.000 2.361 24 Q HA 0.279 4.619 4.340 -0.000 0.000 0.276 24 Q C -2.617 173.357 176.000 -0.044 0.000 1.022 24 Q CA -1.265 54.511 55.803 -0.046 0.000 0.898 24 Q CB 0.205 28.911 28.738 -0.053 0.000 1.246 24 Q HN 0.133 nan 8.270 nan 0.000 0.410 25 P HA -0.030 nan 4.420 nan 0.000 0.274 25 P C 0.228 177.490 177.300 -0.063 0.000 1.231 25 P CA -0.380 62.689 63.100 -0.051 0.000 0.790 25 P CB 0.590 32.243 31.700 -0.078 0.000 0.951 26 L N 3.449 124.665 121.223 -0.011 0.000 2.081 26 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 26 L C 2.107 178.906 176.870 -0.117 0.000 1.080 26 L CA 1.956 56.812 54.840 0.026 0.000 0.754 26 L CB -0.830 41.347 42.059 0.198 0.000 0.893 26 L HN 0.339 nan 8.230 nan 0.000 0.433 27 K N -0.898 119.270 120.400 -0.386 0.000 2.173 27 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 27 K C 1.361 177.695 176.600 -0.443 0.000 1.046 27 K CA 2.046 57.794 56.287 -0.900 0.000 0.929 27 K CB -0.116 31.870 32.500 -0.858 0.000 0.720 27 K HN 0.566 nan 8.250 nan 0.000 0.453 28 D N -0.978 119.275 120.400 -0.244 0.000 2.468 28 D HA -0.065 4.575 4.640 -0.000 0.000 0.243 28 D C 1.890 178.134 176.300 -0.093 0.000 0.994 28 D CA 0.514 54.426 54.000 -0.147 0.000 0.932 28 D CB -0.536 40.196 40.800 -0.113 0.000 1.078 28 D HN 0.087 nan 8.370 nan 0.000 0.473 29 S N 0.044 115.699 115.700 -0.075 0.000 2.378 29 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 29 S C 0.527 175.111 174.600 -0.027 0.000 1.052 29 S CA 1.582 59.754 58.200 -0.046 0.000 1.084 29 S CB -0.075 63.103 63.200 -0.037 0.000 0.950 29 S HN 0.110 nan 8.310 nan 0.000 0.440 30 D N -1.045 119.349 120.400 -0.009 0.000 2.346 30 D HA 0.576 5.216 4.640 -0.000 0.000 0.255 30 D C 0.287 176.623 176.300 0.059 0.000 1.276 30 D CA 0.258 54.272 54.000 0.023 0.000 0.941 30 D CB 1.156 41.981 40.800 0.041 0.000 1.199 30 D HN 0.208 nan 8.370 nan 0.000 0.537 31 A N 3.094 125.935 122.820 0.036 0.000 1.969 31 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 31 A C 1.846 179.506 177.584 0.125 0.000 1.169 31 A CA 1.187 53.269 52.037 0.075 0.000 0.635 31 A CB -0.142 18.874 19.000 0.027 0.000 0.810 31 A HN 0.606 nan 8.150 nan 0.000 0.445 32 E N -0.271 119.977 120.200 0.079 0.000 2.017 32 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 32 E C 1.879 178.526 176.600 0.079 0.000 0.997 32 E CA 1.528 57.968 56.400 0.066 0.000 0.804 32 E CB -0.127 29.597 29.700 0.040 0.000 0.757 32 E HN 0.282 nan 8.360 nan 0.000 0.448 33 V N 0.517 120.483 119.914 0.086 0.000 2.407 33 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 33 V C 2.072 178.241 176.094 0.124 0.000 1.055 33 V CA 1.947 64.299 62.300 0.085 0.000 1.049 33 V CB -0.620 31.250 31.823 0.079 0.000 0.662 33 V HN 0.420 nan 8.190 nan 0.000 0.455 34 Y N 0.750 121.076 120.300 0.043 0.000 2.181 34 Y HA -0.267 4.283 4.550 -0.000 0.000 0.288 34 Y C 2.905 178.832 175.900 0.044 0.000 1.146 34 Y CA 1.916 60.050 58.100 0.057 0.000 1.164 34 Y CB -0.442 38.031 38.460 0.022 0.000 0.982 34 Y HN 0.240 nan 8.280 nan 0.000 0.515 35 S N 0.079 115.840 115.700 0.102 0.000 2.353 35 S HA -0.216 4.254 4.470 -0.000 0.000 0.222 35 S C 2.054 176.632 174.600 -0.038 0.000 1.035 35 S CA 1.956 60.166 58.200 0.018 0.000 1.025 35 S CB -0.718 62.518 63.200 0.059 0.000 0.902 35 S HN 0.511 nan 8.310 nan 0.000 0.440 36 I N 1.414 121.982 120.570 -0.005 0.000 2.151 36 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 36 I C 2.284 178.386 176.117 -0.026 0.000 1.080 36 I CA 1.510 62.805 61.300 -0.008 0.000 1.339 36 I CB -0.558 37.447 38.000 0.008 0.000 1.039 36 I HN 0.349 nan 8.210 nan 0.000 0.409 37 I N 0.642 121.190 120.570 -0.036 0.000 2.264 37 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 37 I C 2.578 178.667 176.117 -0.048 0.000 1.111 37 I CA 1.591 62.877 61.300 -0.024 0.000 1.382 37 I CB -0.369 37.650 38.000 0.032 0.000 1.060 37 I HN 0.227 nan 8.210 nan 0.000 0.418 38 K N 0.725 121.035 120.400 -0.149 0.000 2.103 38 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 38 K C 2.119 178.677 176.600 -0.070 0.000 1.052 38 K CA 1.005 57.206 56.287 -0.145 0.000 0.945 38 K CB 0.042 32.389 32.500 -0.256 0.000 0.722 38 K HN 0.201 nan 8.250 nan 0.000 0.443 39 K N 0.514 120.882 120.400 -0.055 0.000 2.097 39 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 39 K C 2.013 178.606 176.600 -0.012 0.000 1.049 39 K CA 1.429 57.700 56.287 -0.027 0.000 0.933 39 K CB 0.050 32.540 32.500 -0.017 0.000 0.717 39 K HN 0.035 nan 8.250 nan 0.000 0.442 40 E N 0.664 120.859 120.200 -0.008 0.000 2.112 40 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 40 E C 1.926 178.537 176.600 0.018 0.000 0.979 40 E CA 1.224 57.629 56.400 0.009 0.000 0.814 40 E CB -0.200 29.506 29.700 0.011 0.000 0.762 40 E HN 0.061 nan 8.360 nan 0.000 0.460 41 S N -0.216 115.490 115.700 0.011 0.000 2.370 41 S HA -0.220 4.250 4.470 -0.000 0.000 0.226 41 S C 1.932 176.529 174.600 -0.006 0.000 1.033 41 S CA 1.675 59.883 58.200 0.014 0.000 1.011 41 S CB -0.562 62.651 63.200 0.022 0.000 0.852 41 S HN 0.427 nan 8.310 nan 0.000 0.457 42 N N 1.322 120.014 118.700 -0.014 0.000 2.039 42 N HA -0.122 4.618 4.740 -0.000 0.000 0.193 42 N C 1.994 177.499 175.510 -0.008 0.000 1.044 42 N CA 1.769 54.807 53.050 -0.018 0.000 0.847 42 N CB -0.421 38.054 38.487 -0.019 0.000 1.030 42 N HN 0.409 nan 8.380 nan 0.000 0.422 43 R N 0.292 120.795 120.500 0.005 0.000 2.133 43 R HA -0.249 4.091 4.340 -0.000 0.000 0.245 43 R C 2.065 178.385 176.300 0.034 0.000 1.137 43 R CA 2.256 58.367 56.100 0.018 0.000 0.947 43 R CB -0.364 29.952 30.300 0.026 0.000 0.865 43 R HN 0.505 nan 8.270 nan 0.000 0.437 44 Q N -0.667 119.166 119.800 0.055 0.000 2.234 44 Q HA -0.177 4.163 4.340 -0.000 0.000 0.206 44 Q C 2.272 178.271 176.000 -0.000 0.000 0.980 44 Q CA 1.411 57.276 55.803 0.103 0.000 0.869 44 Q CB -0.108 28.734 28.738 0.172 0.000 0.912 44 Q HN 0.345 nan 8.270 nan 0.000 0.436 45 R N 0.487 120.958 120.500 -0.049 0.000 2.057 45 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 45 R C 1.144 177.418 176.300 -0.044 0.000 1.136 45 R CA 1.329 57.380 56.100 -0.083 0.000 0.952 45 R CB 0.198 30.456 30.300 -0.070 0.000 0.848 45 R HN 0.199 nan 8.270 nan 0.000 0.430 46 V N -0.803 119.098 119.914 -0.022 0.000 2.224 46 V HA 0.590 4.710 4.120 -0.000 0.000 0.289 46 V C -0.259 175.831 176.094 -0.006 0.000 1.518 46 V CA -0.099 62.193 62.300 -0.013 0.000 1.533 46 V CB 0.286 32.102 31.823 -0.011 0.000 1.460 46 V HN 0.324 nan 8.190 nan 0.000 0.515 47 G N 1.487 110.287 108.800 0.000 0.000 2.616 47 G HA2 0.540 4.500 3.960 -0.000 0.000 0.294 47 G HA3 0.540 4.500 3.960 -0.000 0.000 0.294 47 G C -1.476 173.437 174.900 0.022 0.000 1.489 47 G CA -1.047 44.059 45.100 0.009 0.000 0.836 47 G HN 0.343 nan 8.290 nan 0.000 0.527 48 L N 1.989 123.223 121.223 0.017 0.000 2.270 48 L HA 0.342 4.682 4.340 -0.000 0.000 0.286 48 L C -0.036 176.869 176.870 0.059 0.000 1.059 48 L CA -0.663 54.195 54.840 0.030 0.000 0.839 48 L CB 1.133 43.212 42.059 0.034 0.000 1.221 48 L HN 0.373 nan 8.230 nan 0.000 0.431 49 E N 5.171 125.427 120.200 0.092 0.000 2.070 49 E HA 0.160 4.510 4.350 -0.000 0.000 0.282 49 E C 0.282 176.931 176.600 0.082 0.000 1.104 49 E CA 0.032 56.482 56.400 0.084 0.000 0.876 49 E CB 1.371 31.122 29.700 0.086 0.000 1.055 49 E HN 0.583 nan 8.360 nan 0.000 0.401 50 L N 3.873 125.142 121.223 0.076 0.000 2.910 50 L HA 0.321 4.661 4.340 -0.000 0.000 0.252 50 L C 0.495 177.407 176.870 0.071 0.000 1.195 50 L CA -0.119 54.778 54.840 0.096 0.000 1.003 50 L CB 0.339 42.456 42.059 0.097 0.000 1.328 50 L HN 0.352 nan 8.230 nan 0.000 0.540 51 I N 0.881 121.484 120.570 0.055 0.000 2.406 51 I HA 0.041 4.211 4.170 -0.000 0.000 0.293 51 I C 1.679 177.848 176.117 0.087 0.000 1.101 51 I CA -0.145 61.188 61.300 0.055 0.000 1.334 51 I CB 1.419 39.441 38.000 0.036 0.000 1.421 51 I HN 0.186 nan 8.210 nan 0.000 0.513 52 A N 4.852 127.743 122.820 0.119 0.000 1.971 52 A HA -0.245 4.075 4.320 -0.000 0.000 0.222 52 A C 2.203 179.968 177.584 0.302 0.000 1.182 52 A CA 2.504 54.670 52.037 0.215 0.000 0.649 52 A CB -0.533 18.570 19.000 0.171 0.000 0.818 52 A HN 0.791 nan 8.150 nan 0.000 0.458 53 S N -1.147 114.680 115.700 0.211 0.000 2.575 53 S HA 0.211 4.681 4.470 -0.000 0.000 0.215 53 S C 0.426 175.025 174.600 -0.001 0.000 0.966 53 S CA -0.200 58.017 58.200 0.028 0.000 0.911 53 S CB 0.069 63.268 63.200 -0.002 0.000 0.780 53 S HN 0.639 nan 8.310 nan 0.000 0.514 54 E N 1.228 121.429 120.200 0.003 0.000 2.254 54 E HA 0.540 4.890 4.350 -0.000 0.000 0.261 54 E C -0.547 175.967 176.600 -0.145 0.000 1.051 54 E CA -0.769 55.586 56.400 -0.075 0.000 0.902 54 E CB 0.724 30.352 29.700 -0.120 0.000 1.168 54 E HN 0.194 nan 8.360 nan 0.000 0.423 55 N N -0.022 118.506 118.700 -0.287 0.000 3.355 55 N HA 0.197 4.937 4.740 -0.000 0.000 0.238 55 N C -1.997 173.221 175.510 -0.488 0.000 1.466 55 N CA -0.498 52.344 53.050 -0.346 0.000 0.882 55 N CB 0.675 39.124 38.487 -0.063 0.000 1.406 55 N HN 0.199 nan 8.380 nan 0.000 0.500 56 F N 1.225 121.198 119.950 0.039 0.000 2.426 56 F HA 0.679 5.206 4.527 -0.000 0.000 0.348 56 F C 0.895 176.696 175.800 0.001 0.000 1.124 56 F CA -0.711 57.298 58.000 0.015 0.000 1.008 56 F CB 1.484 40.489 39.000 0.007 0.000 1.139 56 F HN 0.463 nan 8.300 nan 0.000 0.452 57 A N 2.223 125.142 122.820 0.165 0.000 2.388 57 A HA 0.528 4.848 4.320 -0.000 0.000 0.257 57 A C 0.439 178.066 177.584 0.071 0.000 1.095 57 A CA -0.386 51.703 52.037 0.086 0.000 0.791 57 A CB 0.063 19.093 19.000 0.051 0.000 1.029 57 A HN 0.849 nan 8.150 nan 0.000 0.489 58 S N 1.664 117.387 115.700 0.038 0.000 2.580 58 S HA 0.062 4.532 4.470 -0.000 0.000 0.266 58 S C 1.231 175.842 174.600 0.019 0.000 1.354 58 S CA 0.434 58.647 58.200 0.022 0.000 1.008 58 S CB 0.461 63.664 63.200 0.005 0.000 0.898 58 S HN 0.864 nan 8.310 nan 0.000 0.555 59 R N 0.942 121.451 120.500 0.016 0.000 2.092 59 R HA -0.070 4.270 4.340 -0.000 0.000 0.231 59 R C 2.370 178.676 176.300 0.010 0.000 1.119 59 R CA 1.316 57.426 56.100 0.017 0.000 0.970 59 R CB -1.130 29.182 30.300 0.021 0.000 0.864 59 R HN 0.841 nan 8.270 nan 0.000 0.440 60 A N 0.644 123.467 122.820 0.005 0.000 1.873 60 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 60 A C 2.269 179.851 177.584 -0.003 0.000 1.193 60 A CA 1.932 53.968 52.037 -0.001 0.000 0.629 60 A CB -0.811 18.185 19.000 -0.007 0.000 0.826 60 A HN 0.229 nan 8.150 nan 0.000 0.447 61 V N 0.114 120.025 119.914 -0.005 0.000 2.223 61 V HA -0.291 3.829 4.120 -0.000 0.000 0.244 61 V C 2.600 178.691 176.094 -0.005 0.000 1.045 61 V CA 2.137 64.433 62.300 -0.006 0.000 1.000 61 V CB -0.923 30.898 31.823 -0.004 0.000 0.635 61 V HN 0.597 nan 8.190 nan 0.000 0.445 62 L N -0.301 120.918 121.223 -0.007 0.000 2.051 62 L HA -0.293 4.047 4.340 -0.000 0.000 0.214 62 L C 2.572 179.431 176.870 -0.018 0.000 1.076 62 L CA 2.107 56.934 54.840 -0.021 0.000 0.758 62 L CB -0.703 41.336 42.059 -0.032 0.000 0.890 62 L HN 0.426 nan 8.230 nan 0.000 0.433 63 E N -0.201 119.996 120.200 -0.004 0.000 2.209 63 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 63 E C 2.101 178.702 176.600 0.003 0.000 0.993 63 E CA 1.075 57.477 56.400 0.004 0.000 0.819 63 E CB 0.014 29.721 29.700 0.011 0.000 0.745 63 E HN 0.531 nan 8.360 nan 0.000 0.477 64 A N 0.117 122.939 122.820 0.004 0.000 2.072 64 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 64 A C 1.989 179.593 177.584 0.033 0.000 1.156 64 A CA 0.150 52.194 52.037 0.012 0.000 0.701 64 A CB -0.173 18.832 19.000 0.008 0.000 0.816 64 A HN 0.199 nan 8.150 nan 0.000 0.458 65 L N -0.613 120.630 121.223 0.032 0.000 2.083 65 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 65 L C 2.219 179.127 176.870 0.064 0.000 1.083 65 L CA 1.207 56.096 54.840 0.082 0.000 0.752 65 L CB -0.353 41.732 42.059 0.042 0.000 0.899 65 L HN 0.513 nan 8.230 nan 0.000 0.433 66 G N -0.769 108.030 108.800 -0.002 0.000 3.518 66 G HA2 0.100 4.060 3.960 -0.000 0.000 0.273 66 G HA3 0.100 4.060 3.960 -0.000 0.000 0.273 66 G C 0.600 175.477 174.900 -0.038 0.000 1.199 66 G CA 0.188 45.264 45.100 -0.039 0.000 0.899 66 G HN 0.370 nan 8.290 nan 0.000 0.533 67 S N -0.488 115.199 115.700 -0.022 0.000 2.652 67 S HA 0.305 4.775 4.470 -0.000 0.000 0.267 67 S C 1.893 176.464 174.600 -0.049 0.000 1.201 67 S CA 0.422 58.608 58.200 -0.024 0.000 0.996 67 S CB 1.211 64.408 63.200 -0.004 0.000 1.054 67 S HN 0.419 nan 8.310 nan 0.000 0.561 68 S N 0.088 115.764 115.700 -0.040 0.000 2.474 68 S HA -0.025 4.445 4.470 -0.000 0.000 0.235 68 S C 1.733 176.307 174.600 -0.044 0.000 0.997 68 S CA 0.619 58.792 58.200 -0.045 0.000 0.949 68 S CB -1.062 62.117 63.200 -0.035 0.000 0.766 68 S HN 0.622 nan 8.310 nan 0.000 0.517 69 L N 1.723 122.932 121.223 -0.023 0.000 2.187 69 L HA -0.118 4.222 4.340 -0.000 0.000 0.213 69 L C 2.544 179.396 176.870 -0.031 0.000 1.100 69 L CA 1.462 56.304 54.840 0.005 0.000 0.765 69 L CB -0.927 41.165 42.059 0.055 0.000 0.904 69 L HN 0.413 nan 8.230 nan 0.000 0.437 70 N N 0.251 118.865 118.700 -0.142 0.000 2.519 70 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 70 N C 1.254 176.625 175.510 -0.232 0.000 1.062 70 N CA 0.916 53.749 53.050 -0.362 0.000 0.910 70 N CB -0.038 38.114 38.487 -0.560 0.000 0.958 70 N HN 0.407 nan 8.380 nan 0.000 0.445 71 N N -1.279 117.343 118.700 -0.129 0.000 2.325 71 N HA -0.007 4.733 4.740 -0.000 0.000 0.182 71 N C -0.357 175.122 175.510 -0.052 0.000 1.088 71 N CA -0.100 52.900 53.050 -0.083 0.000 0.879 71 N CB 0.361 38.820 38.487 -0.046 0.000 0.983 71 N HN -0.003 nan 8.380 nan 0.000 0.471 72 K N 0.668 121.033 120.400 -0.058 0.000 2.156 72 K HA 0.194 4.514 4.320 -0.000 0.000 0.271 72 K C -1.595 174.926 176.600 -0.132 0.000 0.995 72 K CA -0.393 55.869 56.287 -0.041 0.000 0.890 72 K CB 0.369 32.868 32.500 -0.001 0.000 1.073 72 K HN -0.105 nan 8.250 nan 0.000 0.454 73 Y N 1.688 121.855 120.300 -0.220 0.000 2.328 73 Y HA 0.259 4.809 4.550 -0.000 0.000 0.337 73 Y C 0.045 175.651 175.900 -0.491 0.000 1.008 73 Y CA 0.242 58.083 58.100 -0.431 0.000 1.129 73 Y CB 1.563 39.569 38.460 -0.756 0.000 1.185 73 Y HN 0.711 nan 8.280 nan 0.000 0.476 74 S N 1.065 116.652 115.700 -0.188 0.000 2.828 74 S HA 0.128 4.598 4.470 -0.000 0.000 0.240 74 S C 0.787 175.330 174.600 -0.095 0.000 0.912 74 S CA -0.555 57.596 58.200 -0.081 0.000 1.100 74 S CB 0.117 63.288 63.200 -0.047 0.000 1.271 74 S HN 0.764 nan 8.310 nan 0.000 0.476 75 E N 2.000 122.177 120.200 -0.039 0.000 2.245 75 E HA -0.209 4.141 4.350 -0.000 0.000 0.217 75 E C 1.495 177.598 176.600 -0.829 0.000 1.069 75 E CA 2.324 58.548 56.400 -0.293 0.000 0.877 75 E CB -0.642 29.157 29.700 0.165 0.000 0.757 75 E HN 0.800 nan 8.360 nan 0.000 0.464 76 G N -2.020 106.513 108.800 -0.446 0.000 2.935 76 G HA2 0.232 4.192 3.960 -0.000 0.000 0.157 76 G HA3 0.232 4.192 3.960 -0.000 0.000 0.157 76 G C -0.438 174.118 174.900 -0.573 0.000 1.712 76 G CA 0.081 44.846 45.100 -0.558 0.000 1.071 76 G HN 0.265 nan 8.290 nan 0.000 0.539 77 Y N -1.150 119.086 120.300 -0.108 0.000 2.644 77 Y HA 0.382 4.932 4.550 -0.000 0.000 0.338 77 Y C -2.244 173.625 175.900 -0.051 0.000 1.119 77 Y CA -2.121 55.945 58.100 -0.056 0.000 1.060 77 Y CB 2.519 40.970 38.460 -0.014 0.000 1.294 77 Y HN 0.170 nan 8.280 nan 0.000 0.472 78 P HA 0.118 nan 4.420 nan 0.000 0.266 78 P C 0.376 177.711 177.300 0.057 0.000 1.215 78 P CA 1.574 64.717 63.100 0.073 0.000 0.763 78 P CB 0.419 32.150 31.700 0.050 0.000 0.806 79 G N 2.857 111.676 108.800 0.031 0.000 2.175 79 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.244 79 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.244 79 G C 0.192 175.103 174.900 0.017 0.000 0.982 79 G CA -0.271 44.842 45.100 0.022 0.000 0.641 79 G HN 0.576 nan 8.290 nan 0.000 0.527 80 Q N -0.148 119.657 119.800 0.009 0.000 3.693 80 Q HA 0.174 4.514 4.340 -0.000 0.000 0.226 80 Q C 0.143 176.035 176.000 -0.180 0.000 0.757 80 Q CA -0.590 55.184 55.803 -0.049 0.000 0.891 80 Q CB 0.883 29.620 28.738 -0.001 0.000 1.561 80 Q HN 0.367 nan 8.270 nan 0.000 0.390 81 R N -0.257 120.158 120.500 -0.143 0.000 2.608 81 R HA 0.367 4.707 4.340 -0.000 0.000 0.255 81 R C -0.051 176.141 176.300 -0.179 0.000 1.086 81 R CA -0.340 55.656 56.100 -0.174 0.000 1.125 81 R CB 0.557 30.853 30.300 -0.007 0.000 1.193 81 R HN 0.274 nan 8.270 nan 0.000 0.553 82 Y N -0.800 119.572 120.300 0.120 0.000 2.682 82 Y HA 0.338 4.888 4.550 -0.000 0.000 0.251 82 Y C -0.524 175.260 175.900 -0.193 0.000 1.172 82 Y CA -0.438 57.662 58.100 0.000 0.000 1.186 82 Y CB 0.214 38.681 38.460 0.011 0.000 1.216 82 Y HN 0.446 nan 8.280 nan 0.000 0.540 83 Y N -1.269 119.110 120.300 0.131 0.000 2.715 83 Y HA 0.740 5.290 4.550 -0.000 0.000 0.331 83 Y C 0.589 176.523 175.900 0.057 0.000 1.197 83 Y CA -1.630 56.523 58.100 0.089 0.000 1.079 83 Y CB 1.480 39.997 38.460 0.095 0.000 1.298 83 Y HN -0.128 nan 8.280 nan 0.000 0.477 84 G N -1.208 107.732 108.800 0.234 0.000 2.537 84 G HA2 0.476 4.436 3.960 -0.000 0.000 0.308 84 G HA3 0.476 4.436 3.960 -0.000 0.000 0.308 84 G C 0.202 175.175 174.900 0.121 0.000 1.237 84 G CA -0.558 44.620 45.100 0.130 0.000 0.968 84 G HN 1.408 nan 8.290 nan 0.000 0.481 85 G N -0.681 108.160 108.800 0.068 0.000 2.132 85 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.228 85 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.228 85 G C 0.917 175.850 174.900 0.055 0.000 1.000 85 G CA 1.287 46.423 45.100 0.060 0.000 0.693 85 G HN 1.824 nan 8.290 nan 0.000 0.515 86 T N -2.357 112.217 114.554 0.033 0.000 3.188 86 T HA 0.360 4.710 4.350 -0.000 0.000 0.250 86 T C 1.391 176.069 174.700 -0.037 0.000 1.077 86 T CA 0.871 62.987 62.100 0.027 0.000 0.967 86 T CB 0.598 69.489 68.868 0.039 0.000 1.006 86 T HN 0.359 nan 8.240 nan 0.000 0.552 87 E N 0.704 120.817 120.200 -0.145 0.000 2.085 87 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 87 E C 0.884 177.280 176.600 -0.339 0.000 0.994 87 E CA 1.314 57.530 56.400 -0.308 0.000 0.801 87 E CB -0.154 29.229 29.700 -0.528 0.000 0.743 87 E HN 0.643 nan 8.360 nan 0.000 0.453 88 F N 0.294 120.255 119.950 0.019 0.000 2.270 88 F HA -0.030 4.497 4.527 -0.000 0.000 0.295 88 F C 2.288 178.096 175.800 0.012 0.000 1.087 88 F CA 0.207 58.216 58.000 0.014 0.000 1.365 88 F CB -0.297 38.711 39.000 0.013 0.000 1.056 88 F HN 0.029 nan 8.300 nan 0.000 0.506 89 I N 0.290 120.964 120.570 0.173 0.000 2.361 89 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 89 I C 1.740 177.898 176.117 0.067 0.000 1.133 89 I CA 1.355 62.716 61.300 0.101 0.000 1.413 89 I CB -1.113 36.927 38.000 0.066 0.000 1.073 89 I HN 0.114 nan 8.210 nan 0.000 0.424 90 D N 0.667 121.094 120.400 0.044 0.000 2.144 90 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 90 D C 2.149 178.469 176.300 0.034 0.000 0.978 90 D CA 0.884 54.899 54.000 0.026 0.000 0.833 90 D CB -0.003 40.795 40.800 -0.003 0.000 0.961 90 D HN 0.406 nan 8.370 nan 0.000 0.470 91 E N 0.043 120.274 120.200 0.052 0.000 2.023 91 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 91 E C 2.083 178.719 176.600 0.059 0.000 1.003 91 E CA 0.487 56.926 56.400 0.065 0.000 0.809 91 E CB -0.147 29.629 29.700 0.127 0.000 0.755 91 E HN 0.083 nan 8.360 nan 0.000 0.449 92 L N 1.979 123.247 121.223 0.074 0.000 1.990 92 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 92 L C 1.319 178.208 176.870 0.031 0.000 1.072 92 L CA 1.785 56.656 54.840 0.052 0.000 0.755 92 L CB -0.564 41.530 42.059 0.058 0.000 0.889 92 L HN 0.050 nan 8.230 nan 0.000 0.432 96 C N 0.861 120.158 119.300 -0.005 0.000 2.429 96 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 96 C C 2.479 177.458 174.990 -0.019 0.000 1.262 96 C CA 1.707 60.718 59.018 -0.012 0.000 1.733 96 C CB -0.705 27.027 27.740 -0.014 0.000 2.010 96 C HN 0.684 nan 8.230 nan 0.000 0.483 97 Q N 0.148 119.931 119.800 -0.027 0.000 2.124 97 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 97 Q C 2.387 178.376 176.000 -0.019 0.000 0.977 97 Q CA 1.307 57.084 55.803 -0.044 0.000 0.850 97 Q CB -0.309 28.400 28.738 -0.048 0.000 0.901 97 Q HN 0.627 nan 8.270 nan 0.000 0.429 98 K N 1.432 121.825 120.400 -0.012 0.000 2.002 98 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 98 K C 1.995 178.588 176.600 -0.012 0.000 1.048 98 K CA 1.198 57.479 56.287 -0.009 0.000 0.930 98 K CB -0.010 32.483 32.500 -0.011 0.000 0.714 98 K HN 0.113 nan 8.250 nan 0.000 0.438 99 R N 0.016 120.507 120.500 -0.015 0.000 2.152 99 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 99 R C 2.319 178.624 176.300 0.008 0.000 1.117 99 R CA 1.028 57.112 56.100 -0.025 0.000 0.981 99 R CB -0.252 30.029 30.300 -0.031 0.000 0.870 99 R HN 0.240 nan 8.270 nan 0.000 0.451 100 A N 1.306 124.164 122.820 0.063 0.000 1.873 100 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 100 A C 2.142 179.888 177.584 0.270 0.000 1.186 100 A CA 0.992 53.155 52.037 0.210 0.000 0.616 100 A CB -0.458 18.629 19.000 0.144 0.000 0.823 100 A HN 0.162 nan 8.150 nan 0.000 0.442 101 L N -0.674 120.639 121.223 0.150 0.000 2.141 101 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 101 L C 2.885 179.710 176.870 -0.076 0.000 1.094 101 L CA 1.238 56.112 54.840 0.056 0.000 0.763 101 L CB -0.659 41.425 42.059 0.042 0.000 0.908 101 L HN 0.540 nan 8.230 nan 0.000 0.437 102 Q N 0.061 119.809 119.800 -0.087 0.000 1.967 102 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 102 Q C 2.467 178.286 176.000 -0.302 0.000 0.985 102 Q CA 1.581 57.265 55.803 -0.198 0.000 0.839 102 Q CB -0.371 28.270 28.738 -0.162 0.000 0.906 102 Q HN 0.512 nan 8.270 nan 0.000 0.423 103 A N 0.408 123.087 122.820 -0.235 0.000 2.067 103 A HA -0.218 4.102 4.320 -0.000 0.000 0.224 103 A C 1.084 178.339 177.584 -0.550 0.000 1.172 103 A CA 1.691 53.511 52.037 -0.363 0.000 0.662 103 A CB -0.689 18.108 19.000 -0.338 0.000 0.814 103 A HN 0.493 nan 8.150 nan 0.000 0.468 104 Y N -2.055 118.054 120.300 -0.318 0.000 2.681 104 Y HA 0.322 4.872 4.550 -0.000 0.000 0.267 104 Y C 0.263 175.939 175.900 -0.373 0.000 1.166 104 Y CA -0.384 57.447 58.100 -0.448 0.000 1.209 104 Y CB -0.396 37.447 38.460 -1.029 0.000 1.161 104 Y HN 0.518 nan 8.280 nan 0.000 0.534 105 H N -0.154 118.760 119.070 -0.260 0.000 2.527 105 H HA -0.183 4.373 4.556 -0.000 0.000 0.321 105 H C -0.869 174.320 175.328 -0.231 0.000 1.092 105 H CA 0.368 56.299 56.048 -0.195 0.000 1.118 105 H CB -1.734 27.938 29.762 -0.151 0.000 1.536 105 H HN 0.328 nan 8.280 nan 0.000 0.407 106 L N 0.502 121.598 121.223 -0.211 0.000 2.307 106 L HA 0.272 4.612 4.340 -0.000 0.000 0.284 106 L C 0.613 177.489 176.870 0.011 0.000 1.023 106 L CA -0.911 53.806 54.840 -0.205 0.000 0.810 106 L CB 1.346 43.108 42.059 -0.495 0.000 1.231 106 L HN 0.198 nan 8.230 nan 0.000 0.423 107 D N 5.405 125.891 120.400 0.143 0.000 2.346 107 D HA 0.082 4.722 4.640 -0.000 0.000 0.260 107 D C -1.337 175.068 176.300 0.175 0.000 1.252 107 D CA -1.711 52.372 54.000 0.138 0.000 0.895 107 D CB 1.115 41.999 40.800 0.139 0.000 1.097 107 D HN 0.242 nan 8.370 nan 0.000 0.489 108 P HA -0.180 nan 4.420 nan 0.000 0.229 108 P C 0.661 178.017 177.300 0.093 0.000 1.150 108 P CA 0.805 63.966 63.100 0.101 0.000 0.765 108 P CB 0.437 32.171 31.700 0.057 0.000 0.783 109 Q N -1.088 118.766 119.800 0.089 0.000 2.302 109 Q HA 0.014 4.353 4.340 -0.000 0.000 0.202 109 Q C 1.913 177.944 176.000 0.051 0.000 0.936 109 Q CA 1.072 56.916 55.803 0.068 0.000 0.886 109 Q CB -0.410 28.361 28.738 0.055 0.000 0.986 109 Q HN 0.383 nan 8.270 nan 0.000 0.487 110 C N -1.762 117.568 119.300 0.051 0.000 3.230 110 C HA 0.265 4.725 4.460 -0.000 0.000 0.300 110 C C 0.286 175.066 174.990 -0.350 0.000 1.292 110 C CA -0.851 58.107 59.018 -0.101 0.000 1.707 110 C CB -0.371 27.319 27.740 -0.083 0.000 2.181 110 C HN 0.328 nan 8.230 nan 0.000 0.655 111 W N 0.145 121.454 121.300 0.015 0.000 2.962 111 W HA 0.624 5.284 4.660 -0.000 0.000 0.341 111 W C 0.195 176.639 176.519 -0.126 0.000 1.155 111 W CA -0.108 57.212 57.345 -0.040 0.000 1.165 111 W CB 1.062 30.511 29.460 -0.019 0.000 1.435 111 W HN 0.123 nan 8.180 nan 0.000 0.546 112 G N 0.062 108.793 108.800 -0.114 0.000 2.692 112 G HA2 0.744 4.704 3.960 -0.000 0.000 0.291 112 G HA3 0.744 4.704 3.960 -0.000 0.000 0.291 112 G C -1.968 172.449 174.900 -0.804 0.000 1.423 112 G CA -0.800 44.049 45.100 -0.418 0.000 0.843 112 G HN 0.446 nan 8.290 nan 0.000 0.486 113 V N -0.069 119.533 119.914 -0.521 0.000 3.160 113 V HA 0.682 4.802 4.120 -0.000 0.000 0.310 113 V C -0.912 175.055 176.094 -0.211 0.000 1.181 113 V CA -1.298 60.692 62.300 -0.516 0.000 1.047 113 V CB 2.320 33.784 31.823 -0.599 0.000 1.068 113 V HN 0.743 nan 8.190 nan 0.000 0.441 114 N N 0.877 119.462 118.700 -0.193 0.000 2.480 114 N HA 0.366 5.106 4.740 -0.000 0.000 0.289 114 N C -0.391 175.036 175.510 -0.138 0.000 1.073 114 N CA -0.196 52.805 53.050 -0.081 0.000 0.885 114 N CB 2.306 40.807 38.487 0.023 0.000 1.421 114 N HN 0.729 nan 8.380 nan 0.000 0.503 115 V N 1.307 121.162 119.914 -0.099 0.000 3.177 115 V HA 0.310 4.430 4.120 -0.000 0.000 0.342 115 V C 0.960 177.016 176.094 -0.065 0.000 1.379 115 V CA 0.118 62.360 62.300 -0.097 0.000 1.191 115 V CB 0.060 31.834 31.823 -0.082 0.000 1.167 115 V HN 0.558 nan 8.190 nan 0.000 0.471 116 Q N 0.325 120.090 119.800 -0.057 0.000 2.384 116 Q HA 0.233 4.573 4.340 -0.000 0.000 0.207 116 Q C -1.800 174.049 176.000 -0.251 0.000 0.904 116 Q CA -0.849 54.885 55.803 -0.114 0.000 0.933 116 Q CB -0.234 28.469 28.738 -0.058 0.000 1.077 116 Q HN 0.550 nan 8.270 nan 0.000 0.522 117 P HA -0.098 nan 4.420 nan 0.000 0.263 117 P C -0.350 176.852 177.300 -0.163 0.000 1.195 117 P CA 0.468 63.435 63.100 -0.222 0.000 0.762 117 P CB 0.204 31.843 31.700 -0.101 0.000 0.799 118 Y N 1.131 121.371 120.300 -0.100 0.000 2.315 118 Y HA -0.066 4.484 4.550 -0.000 0.000 0.288 118 Y C 1.621 177.497 175.900 -0.041 0.000 1.154 118 Y CA 1.120 59.144 58.100 -0.127 0.000 1.229 118 Y CB -0.243 38.126 38.460 -0.152 0.000 0.980 118 Y HN 0.312 nan 8.280 nan 0.000 0.540 119 S N -3.001 112.778 115.700 0.130 0.000 2.694 119 S HA 0.485 4.955 4.470 -0.000 0.000 0.273 119 S C 1.101 175.763 174.600 0.102 0.000 1.180 119 S CA -0.319 57.958 58.200 0.128 0.000 0.864 119 S CB 0.248 63.527 63.200 0.132 0.000 1.198 119 S HN 0.193 nan 8.310 nan 0.000 0.499 120 G N 1.468 110.340 108.800 0.119 0.000 2.453 120 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.215 120 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.215 120 G C 1.481 176.413 174.900 0.053 0.000 1.201 120 G CA 1.509 46.639 45.100 0.050 0.000 0.784 120 G HN 0.663 nan 8.290 nan 0.000 0.545 121 S N 1.911 117.671 115.700 0.100 0.000 2.365 121 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 121 S C 0.265 174.951 174.600 0.145 0.000 1.039 121 S CA 1.876 60.171 58.200 0.158 0.000 1.033 121 S CB -0.988 62.332 63.200 0.200 0.000 0.887 121 S HN 0.303 nan 8.310 nan 0.000 0.447 122 P HA -0.074 nan 4.420 nan 0.000 0.215 122 P C 1.569 178.904 177.300 0.058 0.000 1.157 122 P CA 1.543 64.702 63.100 0.099 0.000 0.868 122 P CB -0.151 31.598 31.700 0.081 0.000 0.788 123 A N -0.283 122.544 122.820 0.012 0.000 1.883 123 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 123 A C 2.156 179.679 177.584 -0.103 0.000 1.186 123 A CA 2.162 54.176 52.037 -0.038 0.000 0.624 123 A CB -1.541 17.439 19.000 -0.035 0.000 0.822 123 A HN 0.143 nan 8.150 nan 0.000 0.444 124 N N -0.979 117.649 118.700 -0.119 0.000 2.058 124 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 124 N C 1.495 176.574 175.510 -0.720 0.000 1.037 124 N CA 1.576 54.394 53.050 -0.386 0.000 0.848 124 N CB -0.745 37.638 38.487 -0.174 0.000 1.021 124 N HN 0.496 nan 8.380 nan 0.000 0.422 125 F N 1.832 121.564 119.950 -0.363 0.000 2.154 125 F HA -0.183 4.343 4.527 -0.000 0.000 0.301 125 F C 2.221 177.935 175.800 -0.143 0.000 1.087 125 F CA 1.281 59.199 58.000 -0.137 0.000 1.274 125 F CB -0.245 38.820 39.000 0.108 0.000 1.009 125 F HN 0.055 nan 8.300 nan 0.000 0.485 126 A N -0.602 122.217 122.820 -0.002 0.000 1.902 126 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 126 A C 2.287 179.775 177.584 -0.160 0.000 1.181 126 A CA 1.967 53.987 52.037 -0.028 0.000 0.623 126 A CB -1.263 17.727 19.000 -0.016 0.000 0.818 126 A HN 0.238 nan 8.150 nan 0.000 0.443 127 V N -1.074 118.667 119.914 -0.288 0.000 2.323 127 V HA -0.232 3.888 4.120 -0.000 0.000 0.244 127 V C 2.418 178.353 176.094 -0.264 0.000 1.041 127 V CA 1.754 63.888 62.300 -0.276 0.000 1.025 127 V CB -1.163 30.489 31.823 -0.285 0.000 0.656 127 V HN 0.638 nan 8.190 nan 0.000 0.451 128 Y N 1.019 121.117 120.300 -0.336 0.000 2.165 128 Y HA -0.202 4.348 4.550 -0.000 0.000 0.286 128 Y C 2.834 178.459 175.900 -0.458 0.000 1.155 128 Y CA 1.348 59.075 58.100 -0.622 0.000 1.164 128 Y CB -1.925 35.810 38.460 -1.209 0.000 0.978 128 Y HN 0.200 nan 8.280 nan 0.000 0.513 129 T N 0.043 114.495 114.554 -0.170 0.000 2.788 129 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 129 T C 2.196 176.895 174.700 -0.002 0.000 1.044 129 T CA 1.485 63.585 62.100 0.001 0.000 1.139 129 T CB -0.517 68.338 68.868 -0.022 0.000 0.867 129 T HN 0.453 nan 8.240 nan 0.000 0.454 130 A N 0.617 123.400 122.820 -0.061 0.000 1.898 130 A HA 0.213 4.533 4.320 -0.000 0.000 0.214 130 A C 2.131 179.680 177.584 -0.059 0.000 1.183 130 A CA 0.865 52.864 52.037 -0.063 0.000 0.622 130 A CB -0.347 18.590 19.000 -0.105 0.000 0.824 130 A HN 0.479 nan 8.150 nan 0.000 0.444 131 L N -1.362 119.811 121.223 -0.084 0.000 2.470 131 L HA 0.087 4.427 4.340 -0.000 0.000 0.219 131 L C 2.025 178.920 176.870 0.043 0.000 1.071 131 L CA 0.206 55.015 54.840 -0.052 0.000 0.850 131 L CB 0.022 41.950 42.059 -0.218 0.000 1.040 131 L HN 0.163 nan 8.230 nan 0.000 0.475 132 V N -1.057 118.860 119.914 0.004 0.000 2.575 132 V HA 0.066 4.186 4.120 -0.000 0.000 0.242 132 V C 0.276 176.459 176.094 0.148 0.000 1.045 132 V CA 0.246 62.565 62.300 0.032 0.000 1.065 132 V CB -0.212 31.508 31.823 -0.173 0.000 0.717 132 V HN 0.457 nan 8.190 nan 0.000 0.467 133 E N -1.044 119.299 120.200 0.238 0.000 8.073 133 E HA -0.145 4.205 4.350 -0.000 0.000 0.466 133 E C -2.635 174.148 176.600 0.306 0.000 0.782 133 E CA -0.279 56.269 56.400 0.246 0.000 1.366 133 E CB -1.027 28.750 29.700 0.129 0.000 0.986 133 E HN 0.281 nan 8.360 nan 0.000 0.263 134 P HA -0.166 nan 4.420 nan 0.000 0.259 134 P C -0.236 177.025 177.300 -0.065 0.000 1.155 134 P CA 1.070 64.051 63.100 -0.198 0.000 0.759 134 P CB 0.131 31.741 31.700 -0.150 0.000 0.753 135 H N -0.938 118.154 119.070 0.037 0.000 3.395 135 H HA -0.157 4.399 4.556 -0.000 0.000 0.222 135 H C 1.020 176.427 175.328 0.132 0.000 1.099 135 H CA 1.208 57.305 56.048 0.082 0.000 1.182 135 H CB -1.991 27.794 29.762 0.037 0.000 1.188 135 H HN 0.626 nan 8.280 nan 0.000 0.317 136 G N 0.942 109.913 108.800 0.285 0.000 2.544 136 G HA2 0.333 4.293 3.960 -0.000 0.000 0.242 136 G HA3 0.333 4.293 3.960 -0.000 0.000 0.242 136 G C 0.365 175.356 174.900 0.152 0.000 1.247 136 G CA -0.554 44.660 45.100 0.191 0.000 0.840 136 G HN 0.188 nan 8.290 nan 0.000 0.578 137 R N 0.387 120.900 120.500 0.021 0.000 2.357 137 R HA 0.518 4.858 4.340 -0.000 0.000 0.296 137 R C -0.156 176.188 176.300 0.073 0.000 1.052 137 R CA -0.106 55.984 56.100 -0.016 0.000 0.988 137 R CB 1.040 31.076 30.300 -0.440 0.000 1.025 137 R HN 0.413 nan 8.270 nan 0.000 0.469 141 L N 1.319 122.041 121.223 -0.835 0.000 2.361 141 L HA 0.460 4.800 4.340 -0.000 0.000 0.278 141 L C 0.419 177.084 176.870 -0.340 0.000 1.113 141 L CA -0.483 53.858 54.840 -0.831 0.000 0.849 141 L CB 0.598 42.430 42.059 -0.379 0.000 1.155 141 L HN 0.576 nan 8.230 nan 0.000 0.452 142 D N 2.984 123.214 120.400 -0.284 0.000 2.601 142 D HA -0.159 4.481 4.640 -0.000 0.000 0.229 142 D C 1.150 177.423 176.300 -0.044 0.000 1.140 142 D CA 0.377 54.316 54.000 -0.101 0.000 0.862 142 D CB 0.696 41.457 40.800 -0.065 0.000 1.192 142 D HN 0.632 nan 8.370 nan 0.000 0.480 143 L N 6.245 127.483 121.223 0.025 0.000 1.978 143 L HA -0.118 4.222 4.340 -0.000 0.000 0.218 143 L C -0.742 176.097 176.870 -0.052 0.000 1.075 143 L CA 1.878 56.694 54.840 -0.040 0.000 0.767 143 L CB -1.044 40.955 42.059 -0.099 0.000 0.890 143 L HN 0.623 nan 8.230 nan 0.000 0.434 144 P HA -0.093 nan 4.420 nan 0.000 0.234 144 P C 0.210 177.507 177.300 -0.006 0.000 1.167 144 P CA 1.304 64.396 63.100 -0.014 0.000 0.763 144 P CB -0.007 31.702 31.700 0.014 0.000 0.835 145 D N -1.069 119.327 120.400 -0.008 0.000 2.367 145 D HA 0.210 4.850 4.640 -0.000 0.000 0.207 145 D C 1.553 177.865 176.300 0.020 0.000 1.034 145 D CA 1.050 55.056 54.000 0.009 0.000 0.861 145 D CB 0.134 40.935 40.800 0.000 0.000 0.943 145 D HN 0.217 nan 8.370 nan 0.000 0.515 146 G N -0.782 108.013 108.800 -0.008 0.000 2.870 146 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.216 146 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.216 146 G C 0.703 175.595 174.900 -0.014 0.000 0.973 146 G CA -0.239 44.864 45.100 0.005 0.000 0.807 146 G HN 0.451 nan 8.290 nan 0.000 0.573 147 G N -0.584 108.194 108.800 -0.036 0.000 2.616 147 G HA2 0.499 4.459 3.960 -0.000 0.000 0.268 147 G HA3 0.499 4.459 3.960 -0.000 0.000 0.268 147 G C -0.469 174.383 174.900 -0.080 0.000 1.213 147 G CA -0.147 44.945 45.100 -0.013 0.000 0.926 147 G HN 0.386 nan 8.290 nan 0.000 0.523 148 H N 0.288 119.135 119.070 -0.372 0.000 2.533 148 H HA 0.235 4.791 4.556 -0.000 0.000 0.343 148 H C 1.264 176.433 175.328 -0.265 0.000 1.160 148 H CA -0.785 55.009 56.048 -0.422 0.000 1.218 148 H CB 1.760 31.123 29.762 -0.665 0.000 1.566 148 H HN 0.312 nan 8.280 nan 0.000 0.522 149 L N 2.350 123.072 121.223 -0.834 0.000 2.137 149 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 149 L C 1.854 178.732 176.870 0.013 0.000 1.085 149 L CA 2.198 56.797 54.840 -0.401 0.000 0.760 149 L CB -0.266 41.521 42.059 -0.453 0.000 0.893 149 L HN 0.716 nan 8.230 nan 0.000 0.434 150 T N -6.099 108.613 114.554 0.264 0.000 3.188 150 T HA -0.007 4.343 4.350 -0.000 0.000 0.250 150 T C 0.979 176.047 174.700 0.613 0.000 1.077 150 T CA -0.095 62.298 62.100 0.489 0.000 0.967 150 T CB -0.465 68.741 68.868 0.564 0.000 1.006 150 T HN 0.457 nan 8.240 nan 0.000 0.552 151 H N 1.135 120.371 119.070 0.278 0.000 2.505 151 H HA 0.476 5.032 4.556 -0.000 0.000 0.289 151 H C 1.101 176.467 175.328 0.063 0.000 1.052 151 H CA -0.362 55.778 56.048 0.154 0.000 1.156 151 H CB 0.207 30.033 29.762 0.107 0.000 1.507 151 H HN 0.646 nan 8.280 nan 0.000 0.548 152 G N 1.018 109.962 108.800 0.241 0.000 2.788 152 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.686 152 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.686 152 G C -1.289 173.758 174.900 0.244 0.000 1.147 152 G CA -0.464 44.746 45.100 0.183 0.000 0.755 152 G HN 0.268 nan 8.290 nan 0.000 0.634 156 D N 0.218 120.550 120.400 -0.114 0.000 2.355 156 D HA 0.193 4.833 4.640 -0.000 0.000 0.218 156 D C 1.316 177.579 176.300 -0.061 0.000 1.004 156 D CA 0.530 54.483 54.000 -0.079 0.000 0.880 156 D CB 0.172 40.937 40.800 -0.059 0.000 0.911 156 D HN 0.482 nan 8.370 nan 0.000 0.528 157 K N -0.209 120.153 120.400 -0.063 0.000 2.313 157 K HA 0.147 4.467 4.320 -0.000 0.000 0.197 157 K C 0.376 176.947 176.600 -0.048 0.000 1.061 157 K CA 0.461 56.721 56.287 -0.045 0.000 0.980 157 K CB 0.401 32.880 32.500 -0.034 0.000 0.888 157 K HN 0.161 nan 8.250 nan 0.000 0.502 158 K N 0.570 120.929 120.400 -0.068 0.000 2.587 158 K HA 0.300 4.620 4.320 -0.000 0.000 0.276 158 K C -1.605 174.937 176.600 -0.097 0.000 0.956 158 K CA -0.946 55.302 56.287 -0.066 0.000 0.857 158 K CB 1.415 33.891 32.500 -0.041 0.000 1.431 158 K HN -0.243 nan 8.250 nan 0.000 0.420 159 K N 2.025 122.379 120.400 -0.077 0.000 2.284 159 K HA 0.214 4.534 4.320 -0.000 0.000 0.287 159 K C 0.685 177.270 176.600 -0.026 0.000 1.081 159 K CA -0.626 55.614 56.287 -0.077 0.000 0.910 159 K CB 0.594 33.060 32.500 -0.057 0.000 1.088 159 K HN 0.383 nan 8.250 nan 0.000 0.478 160 I N 0.931 121.508 120.570 0.011 0.000 2.260 160 I HA -0.127 4.043 4.170 -0.000 0.000 0.237 160 I C 1.477 177.701 176.117 0.179 0.000 1.075 160 I CA 0.945 62.332 61.300 0.145 0.000 1.376 160 I CB -1.257 36.965 38.000 0.370 0.000 1.107 160 I HN 0.558 nan 8.210 nan 0.000 0.420 161 S N 1.567 117.422 115.700 0.257 0.000 2.572 161 S HA 0.314 4.784 4.470 -0.000 0.000 0.279 161 S C 1.365 176.104 174.600 0.231 0.000 1.341 161 S CA 0.072 58.417 58.200 0.243 0.000 1.043 161 S CB 1.543 64.915 63.200 0.287 0.000 0.887 161 S HN 0.359 nan 8.310 nan 0.000 0.516 162 A N 3.451 126.441 122.820 0.282 0.000 1.940 162 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 162 A C 2.275 180.199 177.584 0.567 0.000 1.176 162 A CA 2.157 54.422 52.037 0.381 0.000 0.631 162 A CB -1.863 17.380 19.000 0.405 0.000 0.814 162 A HN 0.944 nan 8.150 nan 0.000 0.446 163 T N 0.842 115.752 114.554 0.593 0.000 2.684 163 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 163 T C 2.180 177.136 174.700 0.427 0.000 1.036 163 T CA 2.121 64.587 62.100 0.611 0.000 1.148 163 T CB -0.491 68.625 68.868 0.412 0.000 0.863 163 T HN 0.796 nan 8.240 nan 0.000 0.436 164 S N 0.504 116.358 115.700 0.257 0.000 2.561 164 S HA 0.149 4.619 4.470 -0.000 0.000 0.225 164 S C 1.919 176.564 174.600 0.076 0.000 0.977 164 S CA 0.208 58.500 58.200 0.153 0.000 0.926 164 S CB -0.566 62.684 63.200 0.082 0.000 0.769 164 S HN 0.462 nan 8.310 nan 0.000 0.533 165 I N -0.387 120.197 120.570 0.024 0.000 2.339 165 I HA 0.076 4.246 4.170 -0.000 0.000 0.245 165 I C 1.459 177.351 176.117 -0.375 0.000 1.096 165 I CA 1.056 62.227 61.300 -0.215 0.000 1.408 165 I CB -0.130 37.613 38.000 -0.427 0.000 1.092 165 I HN 0.224 nan 8.210 nan 0.000 0.423 166 F N -0.248 119.632 119.950 -0.116 0.000 2.754 166 F HA 0.210 4.737 4.527 -0.000 0.000 0.297 166 F C 0.337 175.560 175.800 -0.962 0.000 1.122 166 F CA 0.155 57.832 58.000 -0.538 0.000 1.400 166 F CB -0.010 38.644 39.000 -0.576 0.000 1.117 166 F HN -0.174 nan 8.300 nan 0.000 0.587 167 F N -0.879 119.117 119.950 0.077 0.000 2.640 167 F HA 0.475 5.002 4.527 -0.000 0.000 0.324 167 F C -0.036 175.809 175.800 0.076 0.000 1.077 167 F CA -1.482 56.535 58.000 0.029 0.000 0.965 167 F CB 0.781 39.767 39.000 -0.023 0.000 1.351 167 F HN -0.441 nan 8.300 nan 0.000 0.487 168 E N 1.359 121.743 120.200 0.306 0.000 2.081 168 E HA 0.350 4.700 4.350 -0.000 0.000 0.276 168 E C -0.600 176.195 176.600 0.326 0.000 0.950 168 E CA -0.277 56.286 56.400 0.271 0.000 0.776 168 E CB 1.422 31.264 29.700 0.237 0.000 1.094 168 E HN 0.632 nan 8.360 nan 0.000 0.402 172 Y N -0.960 119.280 120.300 -0.099 0.000 2.621 172 Y HA 0.882 5.432 4.550 -0.000 0.000 0.334 172 Y C 0.028 175.871 175.900 -0.096 0.000 1.074 172 Y CA -0.905 57.130 58.100 -0.109 0.000 1.149 172 Y CB 1.310 39.695 38.460 -0.125 0.000 1.302 172 Y HN 0.197 nan 8.280 nan 0.000 0.501 173 K N 0.706 121.208 120.400 0.170 0.000 2.261 173 K HA 0.723 5.043 4.320 -0.000 0.000 0.242 173 K C -1.095 175.572 176.600 0.111 0.000 1.083 173 K CA -1.004 55.333 56.287 0.084 0.000 0.880 173 K CB 2.242 34.754 32.500 0.020 0.000 1.353 173 K HN 0.732 nan 8.250 nan 0.000 0.486 174 V N -1.559 118.417 119.914 0.104 0.000 2.667 174 V HA 0.438 4.558 4.120 -0.000 0.000 0.308 174 V C -0.734 175.484 176.094 0.206 0.000 1.048 174 V CA -0.979 61.433 62.300 0.187 0.000 0.928 174 V CB 1.020 32.963 31.823 0.199 0.000 1.004 174 V HN 0.521 nan 8.190 nan 0.000 0.444 175 Y N 5.852 126.226 120.300 0.123 0.000 2.605 175 Y HA 0.253 4.803 4.550 -0.000 0.000 0.336 175 Y C -0.917 175.035 175.900 0.087 0.000 1.111 175 Y CA -0.995 57.164 58.100 0.098 0.000 1.422 175 Y CB 1.022 39.552 38.460 0.116 0.000 1.193 175 Y HN 0.582 nan 8.280 nan 0.000 0.526 176 P HA -0.225 nan 4.420 nan 0.000 0.219 176 P C 1.120 178.501 177.300 0.136 0.000 1.146 176 P CA 1.366 64.534 63.100 0.113 0.000 0.808 176 P CB 0.556 32.288 31.700 0.054 0.000 0.779 177 E N 0.407 120.722 120.200 0.192 0.000 2.077 177 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 177 E C 1.928 178.618 176.600 0.150 0.000 0.989 177 E CA 2.258 58.759 56.400 0.169 0.000 0.800 177 E CB -0.721 29.111 29.700 0.220 0.000 0.746 177 E HN 0.348 nan 8.360 nan 0.000 0.452 178 T N -5.276 109.397 114.554 0.198 0.000 2.975 178 T HA 0.332 4.682 4.350 -0.000 0.000 0.257 178 T C 1.455 176.279 174.700 0.206 0.000 1.003 178 T CA 0.577 62.791 62.100 0.190 0.000 0.932 178 T CB 0.628 69.605 68.868 0.181 0.000 1.087 178 T HN 0.282 nan 8.240 nan 0.000 0.512 179 G N 0.551 109.464 108.800 0.190 0.000 2.179 179 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.260 179 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.260 179 G C -0.176 174.784 174.900 0.099 0.000 0.977 179 G CA 0.180 45.335 45.100 0.092 0.000 0.641 179 G HN 0.636 nan 8.290 nan 0.000 0.533 180 Y N -0.006 120.409 120.300 0.191 0.000 2.352 180 Y HA 0.615 5.165 4.550 -0.000 0.000 0.326 180 Y C 1.483 177.590 175.900 0.346 0.000 1.166 180 Y CA -0.984 57.290 58.100 0.290 0.000 1.182 180 Y CB 0.836 39.391 38.460 0.159 0.000 1.216 180 Y HN 0.128 nan 8.280 nan 0.000 0.474 181 I N 3.015 123.904 120.570 0.532 0.000 2.683 181 I HA -0.143 4.027 4.170 -0.000 0.000 0.286 181 I C 0.576 176.823 176.117 0.216 0.000 1.175 181 I CA 0.308 61.698 61.300 0.150 0.000 1.429 181 I CB 0.245 38.045 38.000 -0.332 0.000 1.371 181 I HN 0.581 nan 8.210 nan 0.000 0.569 182 N N 6.883 125.686 118.700 0.172 0.000 3.050 182 N HA -0.002 4.738 4.740 -0.000 0.000 0.289 182 N C 0.613 176.180 175.510 0.095 0.000 1.209 182 N CA 0.097 53.313 53.050 0.276 0.000 1.154 182 N CB 0.009 38.628 38.487 0.220 0.000 1.444 182 N HN 0.368 nan 8.380 nan 0.000 0.529 183 Y N 0.076 120.387 120.300 0.019 0.000 2.384 183 Y HA -0.153 4.397 4.550 -0.000 0.000 0.289 183 Y C 1.857 177.733 175.900 -0.041 0.000 1.152 183 Y CA 0.815 58.872 58.100 -0.072 0.000 1.258 183 Y CB 0.069 38.484 38.460 -0.076 0.000 0.979 183 Y HN 0.371 nan 8.280 nan 0.000 0.549 184 D N -0.345 120.160 120.400 0.175 0.000 2.117 184 D HA -0.184 4.456 4.640 -0.000 0.000 0.198 184 D C 2.095 178.428 176.300 0.055 0.000 0.982 184 D CA 1.117 55.181 54.000 0.106 0.000 0.828 184 D CB -0.266 40.607 40.800 0.123 0.000 0.967 184 D HN 0.469 nan 8.370 nan 0.000 0.464 185 Q N 0.188 120.015 119.800 0.045 0.000 2.079 185 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 185 Q C 2.269 178.255 176.000 -0.022 0.000 0.974 185 Q CA 0.680 56.484 55.803 0.001 0.000 0.840 185 Q CB -0.064 28.665 28.738 -0.016 0.000 0.898 185 Q HN 0.138 nan 8.270 nan 0.000 0.430 186 L N 1.395 122.579 121.223 -0.064 0.000 1.989 186 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 186 L C 2.143 178.977 176.870 -0.060 0.000 1.071 186 L CA 2.433 57.201 54.840 -0.120 0.000 0.749 186 L CB -0.885 40.954 42.059 -0.368 0.000 0.890 186 L HN 0.334 nan 8.230 nan 0.000 0.431 187 E N -1.019 119.161 120.200 -0.033 0.000 2.118 187 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 187 E C 2.052 178.652 176.600 -0.001 0.000 0.992 187 E CA 1.236 57.633 56.400 -0.004 0.000 0.804 187 E CB -0.050 29.661 29.700 0.018 0.000 0.741 187 E HN 0.539 nan 8.360 nan 0.000 0.458 188 E N 0.566 120.765 120.200 -0.002 0.000 2.017 188 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 188 E C 1.898 178.491 176.600 -0.013 0.000 0.997 188 E CA 0.971 57.368 56.400 -0.004 0.000 0.804 188 E CB -0.259 29.439 29.700 -0.003 0.000 0.757 188 E HN 0.282 nan 8.360 nan 0.000 0.448 189 N N 0.810 119.500 118.700 -0.016 0.000 2.166 189 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 189 N C 1.710 177.222 175.510 0.003 0.000 1.019 189 N CA 1.276 54.315 53.050 -0.019 0.000 0.856 189 N CB -0.467 37.996 38.487 -0.040 0.000 0.993 189 N HN 0.149 nan 8.380 nan 0.000 0.426 190 A N 0.849 123.678 122.820 0.016 0.000 1.986 190 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 190 A C 2.394 179.956 177.584 -0.036 0.000 1.171 190 A CA 2.142 54.206 52.037 0.046 0.000 0.640 190 A CB -0.758 18.270 19.000 0.046 0.000 0.811 190 A HN 0.489 nan 8.150 nan 0.000 0.451 191 S N -0.414 115.250 115.700 -0.060 0.000 2.428 191 S HA -0.006 4.464 4.470 -0.000 0.000 0.230 191 S C 1.708 176.127 174.600 -0.302 0.000 1.014 191 S CA 1.333 59.465 58.200 -0.114 0.000 0.957 191 S CB -0.511 62.668 63.200 -0.035 0.000 0.784 191 S HN 0.459 nan 8.310 nan 0.000 0.499 192 L N -1.273 119.825 121.223 -0.208 0.000 2.307 192 L HA 0.332 4.672 4.340 -0.000 0.000 0.211 192 L C 2.234 178.980 176.870 -0.207 0.000 1.099 192 L CA 0.667 55.395 54.840 -0.187 0.000 0.816 192 L CB -0.315 41.725 42.059 -0.031 0.000 0.952 192 L HN 0.293 nan 8.230 nan 0.000 0.455 193 F N 0.149 119.898 119.950 -0.335 0.000 2.505 193 F HA 0.110 4.637 4.527 -0.000 0.000 0.289 193 F C 0.457 176.209 175.800 -0.081 0.000 1.101 193 F CA -0.083 57.828 58.000 -0.148 0.000 1.446 193 F CB 0.070 39.038 39.000 -0.054 0.000 1.123 193 F HN 0.143 nan 8.300 nan 0.000 0.564 194 H N -0.119 118.995 119.070 0.073 0.000 2.882 194 H HA -0.098 4.458 4.556 -0.000 0.000 0.340 194 H C -2.454 172.812 175.328 -0.104 0.000 1.195 194 H CA -0.077 55.949 56.048 -0.036 0.000 1.152 194 H CB -1.963 27.745 29.762 -0.089 0.000 1.590 194 H HN 0.167 nan 8.280 nan 0.000 0.421 195 P HA 0.017 nan 4.420 nan 0.000 0.272 195 P C 0.548 177.887 177.300 0.066 0.000 1.230 195 P CA -0.111 63.059 63.100 0.117 0.000 0.788 195 P CB 1.359 33.201 31.700 0.237 0.000 0.949 196 K N 0.531 120.963 120.400 0.053 0.000 2.354 196 K HA 0.257 4.577 4.320 -0.000 0.000 0.194 196 K C 0.302 176.971 176.600 0.115 0.000 1.045 196 K CA 0.017 56.338 56.287 0.056 0.000 1.026 196 K CB 0.298 32.826 32.500 0.046 0.000 0.866 196 K HN 0.408 nan 8.250 nan 0.000 0.530 197 L N 0.877 122.172 121.223 0.121 0.000 2.545 197 L HA 0.479 4.819 4.340 -0.000 0.000 0.258 197 L C -1.896 175.055 176.870 0.135 0.000 0.942 197 L CA -0.754 54.184 54.840 0.163 0.000 0.855 197 L CB 1.812 43.952 42.059 0.135 0.000 1.374 197 L HN -0.109 nan 8.230 nan 0.000 0.411 198 I N 4.670 125.337 120.570 0.161 0.000 2.474 198 I HA 0.458 4.628 4.170 -0.000 0.000 0.294 198 I C -0.671 175.529 176.117 0.138 0.000 1.005 198 I CA -0.580 60.814 61.300 0.157 0.000 1.113 198 I CB 2.104 40.199 38.000 0.157 0.000 1.289 198 I HN 0.455 nan 8.210 nan 0.000 0.436 199 I N 5.256 125.893 120.570 0.110 0.000 2.354 199 I HA 0.484 4.654 4.170 -0.000 0.000 0.292 199 I C 0.169 176.339 176.117 0.089 0.000 0.989 199 I CA -0.453 60.857 61.300 0.017 0.000 1.188 199 I CB 1.705 39.571 38.000 -0.224 0.000 1.342 199 I HN 0.583 nan 8.210 nan 0.000 0.457 200 A N 5.367 128.251 122.820 0.106 0.000 2.654 200 A HA 0.825 5.145 4.320 -0.000 0.000 0.345 200 A C 0.046 177.742 177.584 0.186 0.000 1.368 200 A CA -0.366 51.783 52.037 0.187 0.000 0.895 200 A CB 0.221 19.408 19.000 0.311 0.000 1.143 200 A HN 0.906 nan 8.150 nan 0.000 0.490 201 G N 0.368 109.262 108.800 0.156 0.000 2.667 201 G HA2 0.689 4.649 3.960 -0.000 0.000 0.294 201 G HA3 0.689 4.649 3.960 -0.000 0.000 0.294 201 G C -0.724 174.345 174.900 0.282 0.000 1.467 201 G CA 0.215 45.454 45.100 0.231 0.000 0.852 201 G HN 1.283 nan 8.290 nan 0.000 0.521 202 T N -2.468 112.226 114.554 0.232 0.000 2.812 202 T HA 0.751 5.101 4.350 -0.000 0.000 0.294 202 T C 0.398 175.178 174.700 0.133 0.000 1.159 202 T CA 0.131 62.323 62.100 0.153 0.000 1.008 202 T CB 1.715 70.638 68.868 0.092 0.000 1.289 202 T HN 0.682 nan 8.240 nan 0.000 0.514 203 S N -0.933 114.794 115.700 0.045 0.000 2.589 203 S HA 0.296 4.766 4.470 -0.000 0.000 0.235 203 S C 0.365 174.812 174.600 -0.256 0.000 1.051 203 S CA -0.193 57.992 58.200 -0.026 0.000 0.978 203 S CB 0.383 63.672 63.200 0.148 0.000 0.929 203 S HN 0.939 nan 8.310 nan 0.000 0.523 204 C N 1.950 121.182 119.300 -0.113 0.000 3.392 204 C HA 0.573 5.033 4.460 -0.000 0.000 0.217 204 C C -1.693 173.311 174.990 0.023 0.000 1.222 204 C CA -0.420 58.536 59.018 -0.104 0.000 1.200 204 C CB -1.077 26.620 27.740 -0.073 0.000 1.818 204 C HN 0.506 nan 8.230 nan 0.000 0.586 205 Y N 2.232 122.443 120.300 -0.147 0.000 2.361 205 Y HA 0.475 5.025 4.550 -0.000 0.000 0.328 205 Y C 0.747 176.566 175.900 -0.135 0.000 1.044 205 Y CA -0.026 58.004 58.100 -0.117 0.000 1.085 205 Y CB 2.016 40.440 38.460 -0.060 0.000 1.194 205 Y HN 0.422 nan 8.280 nan 0.000 0.438 206 S N 4.414 119.870 115.700 -0.407 0.000 2.605 206 S HA 0.377 4.847 4.470 -0.000 0.000 0.217 206 S C 0.223 174.603 174.600 -0.367 0.000 0.958 206 S CA -0.248 57.749 58.200 -0.339 0.000 0.919 206 S CB -0.079 62.935 63.200 -0.311 0.000 0.780 206 S HN 0.454 nan 8.310 nan 0.000 0.507 207 R N 1.328 121.479 120.500 -0.580 0.000 2.873 207 R HA 0.492 4.832 4.340 -0.000 0.000 0.264 207 R C -0.899 175.418 176.300 0.027 0.000 1.026 207 R CA -0.760 55.136 56.100 -0.341 0.000 1.002 207 R CB 0.303 30.273 30.300 -0.550 0.000 1.174 207 R HN 0.240 nan 8.270 nan 0.000 0.488 208 N N 0.199 118.948 118.700 0.081 0.000 2.482 208 N HA 0.230 4.970 4.740 -0.000 0.000 0.260 208 N C -0.352 175.233 175.510 0.125 0.000 1.236 208 N CA -0.090 53.023 53.050 0.104 0.000 0.938 208 N CB 0.513 39.032 38.487 0.054 0.000 1.128 208 N HN 0.226 nan 8.380 nan 0.000 0.448 209 L N 0.553 121.716 121.223 -0.100 0.000 2.325 209 L HA 0.223 4.563 4.340 -0.000 0.000 0.279 209 L C 0.232 176.818 176.870 -0.473 0.000 1.054 209 L CA -0.629 54.056 54.840 -0.259 0.000 0.804 209 L CB 0.973 42.705 42.059 -0.545 0.000 1.200 209 L HN 0.509 nan 8.230 nan 0.000 0.436 210 D N 1.568 121.838 120.400 -0.216 0.000 2.688 210 D HA 0.011 4.651 4.640 -0.000 0.000 0.228 210 D C 0.862 177.012 176.300 -0.249 0.000 1.116 210 D CA 0.007 53.812 54.000 -0.324 0.000 1.023 210 D CB 0.131 40.550 40.800 -0.634 0.000 1.100 210 D HN 0.271 nan 8.370 nan 0.000 0.487 211 Y N 1.214 121.441 120.300 -0.121 0.000 2.193 211 Y HA -0.241 4.309 4.550 -0.000 0.000 0.285 211 Y C 2.459 178.123 175.900 -0.393 0.000 1.166 211 Y CA 1.166 59.156 58.100 -0.184 0.000 1.181 211 Y CB -0.843 37.520 38.460 -0.163 0.000 0.976 211 Y HN 0.393 nan 8.280 nan 0.000 0.520 212 A N 0.190 122.678 122.820 -0.552 0.000 1.865 212 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 212 A C 2.351 179.865 177.584 -0.116 0.000 1.191 212 A CA 2.240 53.986 52.037 -0.485 0.000 0.623 212 A CB -0.758 18.060 19.000 -0.303 0.000 0.826 212 A HN 0.432 nan 8.150 nan 0.000 0.444 213 R N -0.598 119.829 120.500 -0.123 0.000 2.073 213 R HA 0.052 4.392 4.340 -0.000 0.000 0.229 213 R C 2.034 178.356 176.300 0.037 0.000 1.120 213 R CA 1.149 57.216 56.100 -0.054 0.000 0.967 213 R CB -0.418 29.793 30.300 -0.147 0.000 0.862 213 R HN 0.507 nan 8.270 nan 0.000 0.436 214 L N 0.340 121.609 121.223 0.076 0.000 2.042 214 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 214 L C 2.779 179.709 176.870 0.100 0.000 1.076 214 L CA 1.180 56.083 54.840 0.105 0.000 0.749 214 L CB -0.436 41.704 42.059 0.134 0.000 0.893 214 L HN 0.192 nan 8.230 nan 0.000 0.432 215 R N 0.447 121.012 120.500 0.109 0.000 2.091 215 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 215 R C 2.246 178.614 176.300 0.113 0.000 1.136 215 R CA 1.366 57.542 56.100 0.127 0.000 0.959 215 R CB -0.430 29.979 30.300 0.182 0.000 0.856 215 R HN 0.276 nan 8.270 nan 0.000 0.437 216 K N 1.032 121.486 120.400 0.091 0.000 1.991 216 K HA -0.139 4.181 4.320 -0.000 0.000 0.212 216 K C 2.169 178.810 176.600 0.068 0.000 1.049 216 K CA 1.604 57.934 56.287 0.073 0.000 0.932 216 K CB -0.455 32.075 32.500 0.050 0.000 0.717 216 K HN 0.192 nan 8.250 nan 0.000 0.441 217 I N 1.300 121.907 120.570 0.062 0.000 2.208 217 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 217 I C 2.636 178.795 176.117 0.069 0.000 1.097 217 I CA 1.300 62.632 61.300 0.054 0.000 1.363 217 I CB -0.501 37.521 38.000 0.037 0.000 1.051 217 I HN 0.231 nan 8.210 nan 0.000 0.413 218 A N 0.774 123.649 122.820 0.093 0.000 1.858 218 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 218 A C 1.999 179.646 177.584 0.105 0.000 1.190 218 A CA 2.116 54.225 52.037 0.119 0.000 0.617 218 A CB -0.637 18.469 19.000 0.177 0.000 0.827 218 A HN 0.372 nan 8.150 nan 0.000 0.443 219 D N -0.152 120.316 120.400 0.113 0.000 2.219 219 D HA -0.108 4.532 4.640 -0.000 0.000 0.205 219 D C 1.230 177.564 176.300 0.056 0.000 0.970 219 D CA 1.347 55.400 54.000 0.088 0.000 0.851 219 D CB -0.449 40.411 40.800 0.100 0.000 0.943 219 D HN 0.396 nan 8.370 nan 0.000 0.488 220 D N 0.515 120.949 120.400 0.057 0.000 2.123 220 D HA -0.086 4.554 4.640 -0.000 0.000 0.196 220 D C 1.253 177.581 176.300 0.047 0.000 0.992 220 D CA 0.836 54.863 54.000 0.046 0.000 0.833 220 D CB -0.089 40.737 40.800 0.044 0.000 0.954 220 D HN 0.151 nan 8.370 nan 0.000 0.455 221 N N -0.461 118.271 118.700 0.054 0.000 2.235 221 N HA 0.127 4.867 4.740 -0.000 0.000 0.209 221 N C 0.616 176.149 175.510 0.040 0.000 1.122 221 N CA 0.507 53.596 53.050 0.065 0.000 0.845 221 N CB 1.174 39.708 38.487 0.078 0.000 1.004 221 N HN 0.110 nan 8.380 nan 0.000 0.499 222 G N 1.124 109.933 108.800 0.015 0.000 2.338 222 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.296 222 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.296 222 G C 0.057 174.903 174.900 -0.091 0.000 1.040 222 G CA 0.590 45.667 45.100 -0.039 0.000 1.004 222 G HN 0.562 nan 8.290 nan 0.000 0.509 223 A N -0.711 122.081 122.820 -0.045 0.000 2.346 223 A HA 0.875 5.195 4.320 -0.000 0.000 0.313 223 A C -0.397 177.167 177.584 -0.033 0.000 1.140 223 A CA -0.926 51.077 52.037 -0.057 0.000 0.826 223 A CB 1.043 20.077 19.000 0.057 0.000 1.332 223 A HN 0.532 nan 8.150 nan 0.000 0.457 224 Y N -0.232 120.107 120.300 0.065 0.000 2.309 224 Y HA 0.471 5.021 4.550 -0.000 0.000 0.327 224 Y C 0.372 176.418 175.900 0.244 0.000 1.172 224 Y CA 0.121 58.292 58.100 0.118 0.000 1.280 224 Y CB 1.138 39.618 38.460 0.033 0.000 1.234 224 Y HN 0.646 nan 8.280 nan 0.000 0.512 231 H N 0.612 119.686 119.070 0.007 0.000 2.524 231 H HA 0.167 4.723 4.556 -0.000 0.000 0.282 231 H C 1.459 176.730 175.328 -0.095 0.000 1.016 231 H CA 1.908 57.966 56.048 0.018 0.000 1.270 231 H CB 0.107 29.982 29.762 0.187 0.000 1.394 231 H HN 0.619 nan 8.280 nan 0.000 0.568 232 I N -1.995 118.631 120.570 0.094 0.000 3.947 232 I HA 0.231 4.401 4.170 -0.000 0.000 0.327 232 I C 1.511 177.684 176.117 0.093 0.000 1.519 232 I CA 0.007 61.338 61.300 0.051 0.000 1.122 232 I CB 0.565 38.647 38.000 0.136 0.000 1.146 232 I HN 0.019 nan 8.210 nan 0.000 0.442 233 S N 1.518 117.277 115.700 0.098 0.000 2.374 233 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 233 S C 1.964 176.730 174.600 0.275 0.000 1.037 233 S CA 1.602 59.927 58.200 0.208 0.000 1.024 233 S CB -1.304 61.998 63.200 0.169 0.000 0.861 233 S HN 0.590 nan 8.310 nan 0.000 0.456 234 G N 2.098 111.014 108.800 0.195 0.000 2.404 234 G HA2 0.022 3.982 3.960 -0.000 0.000 0.215 234 G HA3 0.022 3.982 3.960 -0.000 0.000 0.215 234 G C 1.486 176.479 174.900 0.155 0.000 1.174 234 G CA 0.802 46.066 45.100 0.274 0.000 0.780 234 G HN 0.500 nan 8.290 nan 0.000 0.537 235 L N 0.420 121.667 121.223 0.040 0.000 2.079 235 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 235 L C 2.927 179.830 176.870 0.055 0.000 1.081 235 L CA 0.562 55.400 54.840 -0.004 0.000 0.752 235 L CB -0.677 41.377 42.059 -0.009 0.000 0.896 235 L HN 0.094 nan 8.230 nan 0.000 0.433 236 V N 0.116 120.107 119.914 0.127 0.000 2.323 236 V HA -0.207 3.913 4.120 -0.000 0.000 0.244 236 V C 2.810 178.964 176.094 0.100 0.000 1.041 236 V CA 1.687 64.087 62.300 0.166 0.000 1.025 236 V CB -0.822 31.172 31.823 0.285 0.000 0.656 236 V HN 0.454 nan 8.190 nan 0.000 0.451 237 A N 0.195 123.031 122.820 0.026 0.000 1.940 237 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 237 A C 2.305 179.863 177.584 -0.043 0.000 1.176 237 A CA 2.066 53.916 52.037 -0.312 0.000 0.631 237 A CB -0.705 18.028 19.000 -0.444 0.000 0.814 237 A HN 0.595 nan 8.150 nan 0.000 0.446 238 A N -2.088 120.789 122.820 0.095 0.000 2.168 238 A HA 0.361 4.681 4.320 -0.000 0.000 0.215 238 A C 2.041 179.631 177.584 0.010 0.000 1.152 238 A CA 1.374 53.460 52.037 0.082 0.000 0.716 238 A CB -0.933 18.043 19.000 -0.041 0.000 0.794 238 A HN 1.918 nan 8.150 nan 0.000 0.465 239 G N -1.439 107.359 108.800 -0.004 0.000 2.179 239 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 239 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 239 G C 1.280 176.170 174.900 -0.017 0.000 0.977 239 G CA 0.919 46.005 45.100 -0.023 0.000 0.641 239 G HN 1.576 nan 8.290 nan 0.000 0.533 240 V N -1.045 118.855 119.914 -0.022 0.000 2.913 240 V HA 0.395 4.515 4.120 -0.000 0.000 0.260 240 V C 1.307 177.399 176.094 -0.003 0.000 1.098 240 V CA 1.720 64.002 62.300 -0.029 0.000 1.121 240 V CB -0.562 31.223 31.823 -0.063 0.000 0.714 240 V HN 1.780 nan 8.190 nan 0.000 0.487 241 V N -5.025 114.903 119.914 0.025 0.000 3.130 241 V HA 0.747 4.867 4.120 -0.000 0.000 0.310 241 V C -3.018 173.126 176.094 0.084 0.000 1.158 241 V CA -2.707 59.627 62.300 0.055 0.000 1.029 241 V CB 1.049 32.919 31.823 0.078 0.000 1.057 241 V HN 0.126 nan 8.190 nan 0.000 0.436 242 P HA 0.198 nan 4.420 nan 0.000 0.264 242 P C -0.264 177.153 177.300 0.195 0.000 1.193 242 P CA 0.564 63.753 63.100 0.148 0.000 0.763 242 P CB 0.527 32.327 31.700 0.166 0.000 0.810 243 S N 4.516 120.310 115.700 0.158 0.000 2.523 243 S HA 0.269 4.739 4.470 -0.000 0.000 0.275 243 S C -1.200 173.406 174.600 0.011 0.000 1.281 243 S CA -1.493 56.788 58.200 0.134 0.000 1.050 243 S CB 0.218 63.512 63.200 0.157 0.000 0.937 243 S HN 0.310 nan 8.310 nan 0.000 0.492 244 P HA 0.017 nan 4.420 nan 0.000 0.229 244 P C 0.887 177.865 177.300 -0.537 0.000 1.160 244 P CA 0.628 63.174 63.100 -0.924 0.000 0.777 244 P CB -0.090 30.895 31.700 -1.193 0.000 0.814 245 F N 1.209 120.964 119.950 -0.324 0.000 2.583 245 F HA -0.065 4.462 4.527 -0.000 0.000 0.297 245 F C 2.192 177.975 175.800 -0.029 0.000 1.131 245 F CA 1.085 58.906 58.000 -0.298 0.000 1.467 245 F CB -0.672 37.975 39.000 -0.587 0.000 1.097 245 F HN 0.013 nan 8.300 nan 0.000 0.586 246 E N -1.435 118.833 120.200 0.113 0.000 2.230 246 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 246 E C 1.049 177.534 176.600 -0.192 0.000 0.987 246 E CA 0.925 57.339 56.400 0.023 0.000 0.841 246 E CB -0.013 29.707 29.700 0.034 0.000 0.783 246 E HN 0.556 nan 8.360 nan 0.000 0.481 247 H N -2.055 117.024 119.070 0.015 0.000 3.255 247 H HA 0.215 4.771 4.556 -0.000 0.000 0.256 247 H C 0.198 175.467 175.328 -0.098 0.000 1.049 247 H CA -0.360 55.686 56.048 -0.004 0.000 1.202 247 H CB 0.478 30.278 29.762 0.064 0.000 1.497 247 H HN -0.010 nan 8.280 nan 0.000 0.503 248 C N 0.861 120.157 119.300 -0.007 0.000 2.459 248 C HA 0.147 4.607 4.460 -0.000 0.000 0.374 248 C C 1.511 176.490 174.990 -0.019 0.000 1.241 248 C CA -0.197 58.780 59.018 -0.067 0.000 2.352 248 C CB 0.837 28.503 27.740 -0.123 0.000 2.490 248 C HN 0.648 nan 8.230 nan 0.000 0.583 249 H N -0.350 118.786 119.070 0.110 0.000 2.465 249 H HA 0.239 4.795 4.556 -0.000 0.000 0.289 249 H C 0.164 175.491 175.328 -0.001 0.000 1.022 249 H CA 0.734 56.781 56.048 -0.001 0.000 1.340 249 H CB 0.230 30.056 29.762 0.106 0.000 1.437 249 H HN 0.347 nan 8.280 nan 0.000 0.539 250 V N 0.885 120.909 119.914 0.182 0.000 2.841 250 V HA 0.342 4.462 4.120 -0.000 0.000 0.310 250 V C -1.043 175.086 176.094 0.058 0.000 1.090 250 V CA -0.907 61.490 62.300 0.161 0.000 0.930 250 V CB 3.016 34.868 31.823 0.049 0.000 1.014 250 V HN -0.137 nan 8.190 nan 0.000 0.425 251 V N 2.963 122.905 119.914 0.048 0.000 2.569 251 V HA 0.612 4.732 4.120 -0.000 0.000 0.301 251 V C 0.060 176.172 176.094 0.031 0.000 1.044 251 V CA -0.373 61.831 62.300 -0.160 0.000 0.874 251 V CB 2.244 33.618 31.823 -0.749 0.000 1.002 251 V HN 1.062 nan 8.190 nan 0.000 0.424 252 T N 0.797 115.348 114.554 -0.006 0.000 2.952 252 T HA 0.879 5.229 4.350 -0.000 0.000 0.286 252 T C -0.294 174.419 174.700 0.021 0.000 1.024 252 T CA -0.653 61.461 62.100 0.024 0.000 1.029 252 T CB 2.223 71.082 68.868 -0.016 0.000 1.094 252 T HN 0.798 nan 8.240 nan 0.000 0.515 253 T N 0.292 114.862 114.554 0.027 0.000 2.831 253 T HA 0.546 4.896 4.350 -0.000 0.000 0.333 253 T C -0.883 173.813 174.700 -0.007 0.000 1.684 253 T CA -0.352 61.755 62.100 0.012 0.000 1.049 253 T CB 1.175 70.073 68.868 0.050 0.000 1.518 253 T HN 1.213 nan 8.240 nan 0.000 0.491 254 T N 0.051 114.562 114.554 -0.071 0.000 2.934 254 T HA 0.518 4.868 4.350 -0.000 0.000 0.283 254 T C 1.358 176.017 174.700 -0.068 0.000 1.005 254 T CA 0.118 62.149 62.100 -0.114 0.000 1.041 254 T CB 1.185 69.778 68.868 -0.458 0.000 1.042 254 T HN 0.816 nan 8.240 nan 0.000 0.505 255 T N -2.580 112.014 114.554 0.066 0.000 3.069 255 T HA 0.128 4.478 4.350 -0.000 0.000 0.252 255 T C 0.905 175.683 174.700 0.131 0.000 1.053 255 T CA -0.228 61.934 62.100 0.103 0.000 0.964 255 T CB -0.447 68.490 68.868 0.115 0.000 1.005 255 T HN 0.853 nan 8.240 nan 0.000 0.532 256 H N 1.003 120.075 119.070 0.004 0.000 3.039 256 H HA 0.609 5.165 4.556 -0.000 0.000 0.234 256 H C 0.742 176.060 175.328 -0.017 0.000 1.570 256 H CA -0.592 55.452 56.048 -0.007 0.000 1.674 256 H CB 0.052 29.800 29.762 -0.023 0.000 1.538 256 H HN 0.093 nan 8.280 nan 0.000 0.963 257 K N -1.524 118.875 120.400 -0.001 0.000 2.311 257 K HA -0.219 4.101 4.320 -0.000 0.000 0.220 257 K C 1.220 177.804 176.600 -0.028 0.000 1.535 257 K CA 1.642 57.866 56.287 -0.104 0.000 0.473 257 K CB -1.881 30.431 32.500 -0.313 0.000 0.750 257 K HN 0.838 nan 8.250 nan 0.000 0.752 258 T N 0.034 114.543 114.554 -0.076 0.000 3.320 258 T HA 0.110 4.460 4.350 -0.000 0.000 0.258 258 T C 1.198 175.994 174.700 0.160 0.000 1.176 258 T CA 1.067 63.166 62.100 -0.002 0.000 1.037 258 T CB 0.054 68.832 68.868 -0.151 0.000 0.958 258 T HN 0.320 nan 8.240 nan 0.000 0.545 259 L N 0.177 121.494 121.223 0.156 0.000 2.817 259 L HA 0.544 4.884 4.340 -0.000 0.000 0.248 259 L C 1.146 178.127 176.870 0.184 0.000 1.133 259 L CA 0.023 54.997 54.840 0.223 0.000 0.935 259 L CB -0.418 41.726 42.059 0.142 0.000 1.266 259 L HN 0.250 nan 8.230 nan 0.000 0.535 260 R N -0.219 120.376 120.500 0.158 0.000 3.516 260 R HA -0.181 4.159 4.340 -0.000 0.000 0.271 260 R C 0.548 176.891 176.300 0.072 0.000 1.098 260 R CA 0.605 56.773 56.100 0.114 0.000 0.732 260 R CB -1.552 28.822 30.300 0.123 0.000 1.152 260 R HN 0.570 nan 8.270 nan 0.000 0.455 261 G N -0.850 107.997 108.800 0.079 0.000 2.971 261 G HA2 0.526 4.486 3.960 -0.000 0.000 0.235 261 G HA3 0.526 4.486 3.960 -0.000 0.000 0.235 261 G C 0.187 175.124 174.900 0.061 0.000 1.351 261 G CA -0.194 44.937 45.100 0.052 0.000 1.039 261 G HN 0.440 nan 8.290 nan 0.000 0.563 262 C N -1.667 117.652 119.300 0.032 0.000 2.347 262 C HA 0.741 5.201 4.460 -0.000 0.000 0.366 262 C C 0.695 175.678 174.990 -0.011 0.000 1.241 262 C CA -1.304 57.710 59.018 -0.007 0.000 2.360 262 C CB 0.255 27.978 27.740 -0.029 0.000 2.290 262 C HN 0.660 nan 8.230 nan 0.000 0.587 263 R N 1.382 121.797 120.500 -0.141 0.000 2.446 263 R HA 0.489 4.829 4.340 -0.000 0.000 0.314 263 R C 0.308 176.588 176.300 -0.034 0.000 1.003 263 R CA 1.148 57.090 56.100 -0.262 0.000 1.018 263 R CB -0.073 29.992 30.300 -0.392 0.000 0.945 263 R HN 1.076 nan 8.270 nan 0.000 0.419 264 A N 1.634 124.520 122.820 0.110 0.000 2.410 264 A HA 0.731 5.051 4.320 -0.000 0.000 0.300 264 A C -1.100 176.557 177.584 0.122 0.000 1.077 264 A CA -0.277 51.817 52.037 0.095 0.000 0.610 264 A CB 0.919 19.945 19.000 0.044 0.000 1.371 264 A HN 0.706 nan 8.150 nan 0.000 0.510 268 F N 6.406 126.380 119.950 0.041 0.000 2.394 268 F HA 0.600 5.127 4.527 -0.000 0.000 0.340 268 F C -0.027 175.913 175.800 0.233 0.000 1.105 268 F CA -0.250 57.783 58.000 0.056 0.000 1.124 268 F CB 1.081 40.172 39.000 0.151 0.000 1.145 268 F HN 0.301 nan 8.300 nan 0.000 0.505 269 Y N 0.182 120.789 120.300 0.510 0.000 2.534 269 Y HA 0.641 5.191 4.550 -0.000 0.000 0.345 269 Y C -0.608 175.226 175.900 -0.111 0.000 1.031 269 Y CA -1.955 56.258 58.100 0.188 0.000 1.022 269 Y CB 0.865 39.313 38.460 -0.020 0.000 1.292 269 Y HN 0.386 nan 8.280 nan 0.000 0.459 270 R N 2.731 122.949 120.500 -0.471 0.000 2.641 270 R HA 0.425 4.765 4.340 -0.000 0.000 0.269 270 R C -0.593 175.462 176.300 -0.408 0.000 1.074 270 R CA -0.517 55.015 56.100 -0.947 0.000 1.133 270 R CB 1.028 30.589 30.300 -1.232 0.000 1.029 270 R HN 0.999 nan 8.270 nan 0.000 0.488 271 K N -0.935 119.339 120.400 -0.209 0.000 2.555 271 K HA 0.490 4.810 4.320 -0.000 0.000 0.279 271 K C -0.792 175.917 176.600 0.181 0.000 0.986 271 K CA -0.535 55.829 56.287 0.128 0.000 0.880 271 K CB 1.825 34.417 32.500 0.153 0.000 1.474 271 K HN 0.658 nan 8.250 nan 0.000 0.433 272 G N 1.019 109.952 108.800 0.221 0.000 3.277 272 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.684 272 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.684 272 G C 0.122 174.865 174.900 -0.262 0.000 0.923 272 G CA -0.403 44.724 45.100 0.044 0.000 0.779 272 G HN 1.489 nan 8.290 nan 0.000 0.508 273 V N 1.680 121.029 119.914 -0.942 0.000 0.690 273 V HA -0.360 3.760 4.120 -0.000 0.000 0.092 273 V C 1.512 177.249 176.094 -0.596 0.000 0.776 273 V CA 2.545 64.277 62.300 -0.947 0.000 3.098 273 V CB -1.507 29.917 31.823 -0.665 0.000 0.186 273 V HN 2.888 nan 8.190 nan 0.000 0.079 274 R N -0.214 120.023 120.500 -0.439 0.000 2.983 274 R HA -0.007 4.333 4.340 -0.000 0.000 0.272 274 R C 0.020 176.092 176.300 -0.380 0.000 0.926 274 R CA 1.641 57.498 56.100 -0.405 0.000 0.667 274 R CB -1.495 28.405 30.300 -0.668 0.000 1.540 274 R HN 1.561 nan 8.270 nan 0.000 0.467 275 S N -0.828 114.733 115.700 -0.232 0.000 5.086 275 S HA 0.326 4.796 4.470 -0.000 0.000 0.156 275 S C -0.710 173.837 174.600 -0.089 0.000 1.290 275 S CA 0.166 58.276 58.200 -0.150 0.000 1.070 275 S CB 0.327 63.457 63.200 -0.116 0.000 2.069 275 S HN 0.741 nan 8.310 nan 0.000 0.699 276 V N 3.276 123.153 119.914 -0.062 0.000 4.207 276 V HA -0.095 4.025 4.120 -0.000 0.000 0.498 276 V C 0.476 176.550 176.094 -0.032 0.000 0.914 276 V CA 1.995 64.273 62.300 -0.037 0.000 1.956 276 V CB -0.718 31.083 31.823 -0.038 0.000 2.233 276 V HN 0.929 nan 8.190 nan 0.000 0.505 277 D N 3.692 124.079 120.400 -0.022 0.000 2.757 277 D HA 0.204 4.844 4.640 -0.000 0.000 0.142 277 D C -0.643 175.650 176.300 -0.012 0.000 1.491 277 D CA 0.843 54.831 54.000 -0.019 0.000 1.531 277 D CB -0.646 40.142 40.800 -0.021 0.000 1.709 277 D HN 0.476 nan 8.370 nan 0.000 0.246 278 P HA -0.123 nan 4.420 nan 0.000 0.225 278 P C 0.489 177.785 177.300 -0.006 0.000 1.037 278 P CA 1.553 64.648 63.100 -0.008 0.000 0.997 278 P CB 0.216 31.912 31.700 -0.007 0.000 0.612 279 K N -2.900 117.497 120.400 -0.005 0.000 2.450 279 K HA 0.185 4.505 4.320 -0.000 0.000 0.206 279 K C 0.519 177.118 176.600 -0.003 0.000 1.148 279 K CA 0.369 56.654 56.287 -0.004 0.000 1.014 279 K CB -0.003 32.495 32.500 -0.003 0.000 0.966 279 K HN 0.271 nan 8.250 nan 0.000 0.566 280 T N 0.560 115.112 114.554 -0.002 0.000 2.779 280 T HA 0.469 4.819 4.350 -0.000 0.000 0.280 280 T C -0.069 174.631 174.700 -0.000 0.000 0.987 280 T CA -0.580 61.520 62.100 -0.000 0.000 0.966 280 T CB 1.077 69.945 68.868 0.000 0.000 0.933 280 T HN 0.257 nan 8.240 nan 0.000 0.442 281 G N 4.752 113.553 108.800 0.002 0.000 2.298 281 G HA2 0.075 4.035 3.960 -0.000 0.000 0.284 281 G HA3 0.075 4.035 3.960 -0.000 0.000 0.284 281 G C 0.909 175.815 174.900 0.010 0.000 1.013 281 G CA -0.044 45.058 45.100 0.003 0.000 1.365 281 G HN 0.902 nan 8.290 nan 0.000 0.415 282 K N 1.270 121.673 120.400 0.005 0.000 1.970 282 K HA -0.111 4.209 4.320 -0.000 0.000 0.225 282 K C 0.582 177.208 176.600 0.042 0.000 1.045 282 K CA 1.467 57.762 56.287 0.013 0.000 1.002 282 K CB -0.048 32.451 32.500 -0.001 0.000 0.743 282 K HN 0.484 nan 8.250 nan 0.000 0.445 283 E N -0.447 119.780 120.200 0.045 0.000 2.311 283 E HA -0.116 4.234 4.350 -0.000 0.000 0.271 283 E C 0.157 176.907 176.600 0.249 0.000 1.083 283 E CA 0.452 56.933 56.400 0.136 0.000 0.780 283 E CB -1.970 27.870 29.700 0.234 0.000 1.296 283 E HN 0.427 nan 8.360 nan 0.000 0.404 284 T N -1.192 113.427 114.554 0.108 0.000 3.035 284 T HA -0.029 4.321 4.350 -0.000 0.000 0.268 284 T C 0.380 175.191 174.700 0.184 0.000 1.109 284 T CA 0.979 63.136 62.100 0.096 0.000 1.119 284 T CB -0.185 68.680 68.868 -0.005 0.000 0.900 284 T HN 0.369 nan 8.240 nan 0.000 0.503 285 Y N -0.814 119.400 120.300 -0.143 0.000 2.504 285 Y HA -0.247 4.303 4.550 -0.000 0.000 0.254 285 Y C -0.026 175.768 175.900 -0.176 0.000 1.695 285 Y CA -0.509 57.503 58.100 -0.147 0.000 1.423 285 Y CB -0.897 37.536 38.460 -0.046 0.000 2.065 285 Y HN 0.148 nan 8.280 nan 0.000 0.254 286 Y N 0.823 121.213 120.300 0.150 0.000 2.335 286 Y HA 0.352 4.902 4.550 -0.000 0.000 0.323 286 Y C 1.260 177.209 175.900 0.081 0.000 1.224 286 Y CA -0.422 57.729 58.100 0.085 0.000 1.241 286 Y CB 1.168 39.653 38.460 0.042 0.000 1.235 286 Y HN 0.470 nan 8.280 nan 0.000 0.492 287 E N 0.631 120.980 120.200 0.248 0.000 2.630 287 E HA 0.161 4.511 4.350 -0.000 0.000 0.218 287 E C 0.760 177.359 176.600 -0.002 0.000 0.977 287 E CA 0.196 56.657 56.400 0.102 0.000 1.038 287 E CB -0.048 29.697 29.700 0.075 0.000 1.051 287 E HN 0.625 nan 8.360 nan 0.000 0.487 288 L N 1.555 122.766 121.223 -0.021 0.000 1.990 288 L HA -0.251 4.089 4.340 -0.000 0.000 0.213 288 L C 2.770 179.353 176.870 -0.479 0.000 1.072 288 L CA 2.280 56.985 54.840 -0.224 0.000 0.755 288 L CB -0.656 41.271 42.059 -0.219 0.000 0.889 288 L HN 0.277 nan 8.230 nan 0.000 0.432 289 E N -0.065 119.808 120.200 -0.544 0.000 2.065 289 E HA -0.319 4.031 4.350 -0.000 0.000 0.201 289 E C 2.329 178.662 176.600 -0.444 0.000 1.016 289 E CA 1.941 57.858 56.400 -0.805 0.000 0.818 289 E CB -0.109 29.476 29.700 -0.191 0.000 0.749 289 E HN 0.356 nan 8.360 nan 0.000 0.453 290 S N -0.246 115.323 115.700 -0.217 0.000 2.353 290 S HA -0.163 4.307 4.470 -0.000 0.000 0.222 290 S C 2.059 176.585 174.600 -0.123 0.000 1.035 290 S CA 1.514 59.640 58.200 -0.124 0.000 1.025 290 S CB -0.379 62.785 63.200 -0.060 0.000 0.902 290 S HN 0.353 nan 8.310 nan 0.000 0.440 291 L N 0.926 122.068 121.223 -0.135 0.000 2.017 291 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 291 L C 2.507 179.296 176.870 -0.134 0.000 1.073 291 L CA 1.419 56.193 54.840 -0.110 0.000 0.745 291 L CB -0.623 41.376 42.059 -0.102 0.000 0.894 291 L HN 0.369 nan 8.230 nan 0.000 0.432 292 I N -0.193 120.240 120.570 -0.228 0.000 2.142 292 I HA -0.284 3.886 4.170 -0.000 0.000 0.240 292 I C 2.298 178.343 176.117 -0.121 0.000 1.078 292 I CA 1.201 62.376 61.300 -0.208 0.000 1.343 292 I CB -0.597 37.211 38.000 -0.321 0.000 1.046 292 I HN 0.337 nan 8.210 nan 0.000 0.405 293 N N 0.901 119.502 118.700 -0.166 0.000 2.137 293 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 293 N C 2.002 177.630 175.510 0.198 0.000 1.017 293 N CA 1.731 54.781 53.050 0.001 0.000 0.859 293 N CB -0.301 38.093 38.487 -0.154 0.000 1.002 293 N HN 0.292 nan 8.380 nan 0.000 0.428 294 S N 0.721 116.468 115.700 0.078 0.000 2.387 294 S HA 0.024 4.494 4.470 -0.000 0.000 0.226 294 S C 2.145 176.757 174.600 0.020 0.000 1.026 294 S CA 0.849 59.083 58.200 0.058 0.000 0.972 294 S CB -0.251 62.952 63.200 0.005 0.000 0.814 294 S HN 0.487 nan 8.310 nan 0.000 0.477 295 A N 1.632 124.457 122.820 0.007 0.000 1.883 295 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 295 A C 2.346 179.955 177.584 0.040 0.000 1.186 295 A CA 1.847 53.888 52.037 0.006 0.000 0.624 295 A CB -1.093 17.896 19.000 -0.018 0.000 0.822 295 A HN 0.350 nan 8.150 nan 0.000 0.444 296 V N -2.718 117.241 119.914 0.075 0.000 2.407 296 V HA -0.006 4.114 4.120 -0.000 0.000 0.248 296 V C 0.881 177.082 176.094 0.178 0.000 1.055 296 V CA 1.779 64.141 62.300 0.104 0.000 1.049 296 V CB -0.816 31.087 31.823 0.135 0.000 0.662 296 V HN 0.535 nan 8.190 nan 0.000 0.455 297 F N 0.375 120.341 119.950 0.027 0.000 2.639 297 F HA 0.474 5.001 4.527 -0.000 0.000 0.320 297 F C -2.502 173.309 175.800 0.019 0.000 1.128 297 F CA -1.874 56.111 58.000 -0.025 0.000 1.037 297 F CB 1.800 40.690 39.000 -0.184 0.000 1.288 297 F HN -0.173 nan 8.300 nan 0.000 0.463 298 P HA 0.103 nan 4.420 nan 0.000 0.247 298 P C 1.022 178.073 177.300 -0.415 0.000 1.225 298 P CA 0.991 63.346 63.100 -1.242 0.000 0.768 298 P CB 0.136 31.337 31.700 -0.833 0.000 1.020 299 G N 1.252 109.925 108.800 -0.212 0.000 2.524 299 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 299 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 299 G C 1.335 176.236 174.900 0.003 0.000 1.239 299 G CA 0.753 45.812 45.100 -0.069 0.000 0.798 299 G HN 0.277 nan 8.290 nan 0.000 0.557 300 L N -0.896 120.360 121.223 0.054 0.000 2.577 300 L HA 0.322 4.662 4.340 -0.000 0.000 0.225 300 L C 1.416 178.354 176.870 0.113 0.000 1.053 300 L CA 0.084 54.975 54.840 0.085 0.000 0.866 300 L CB 0.212 42.339 42.059 0.112 0.000 1.132 300 L HN 0.155 nan 8.230 nan 0.000 0.486 301 Q N -0.737 119.144 119.800 0.136 0.000 2.204 301 Q HA 0.434 4.774 4.340 -0.000 0.000 0.254 301 Q C 0.274 176.457 176.000 0.306 0.000 0.981 301 Q CA -0.075 55.819 55.803 0.152 0.000 0.897 301 Q CB 1.982 30.627 28.738 -0.155 0.000 1.273 301 Q HN 0.154 nan 8.270 nan 0.000 0.464 302 G N -0.099 108.892 108.800 0.318 0.000 3.372 302 G HA2 0.383 4.343 3.960 -0.000 0.000 0.178 302 G HA3 0.383 4.343 3.960 -0.000 0.000 0.178 302 G C -0.216 174.793 174.900 0.182 0.000 1.817 302 G CA -0.068 45.227 45.100 0.325 0.000 0.996 302 G HN 0.591 nan 8.290 nan 0.000 0.559 303 G N 1.269 110.189 108.800 0.200 0.000 2.338 303 G HA2 0.560 4.520 3.960 -0.000 0.000 0.298 303 G HA3 0.560 4.520 3.960 -0.000 0.000 0.298 303 G C -2.210 172.692 174.900 0.003 0.000 1.140 303 G CA -0.737 44.359 45.100 -0.007 0.000 0.860 303 G HN 0.397 nan 8.290 nan 0.000 0.470 304 P HA -0.028 nan 4.420 nan 0.000 0.268 304 P C -0.588 176.800 177.300 0.147 0.000 1.208 304 P CA 0.223 63.309 63.100 -0.023 0.000 0.777 304 P CB 0.680 32.327 31.700 -0.087 0.000 0.875 305 H N 1.866 120.982 119.070 0.076 0.000 2.726 305 H HA 0.163 4.719 4.556 -0.000 0.000 0.244 305 H C 1.360 176.658 175.328 -0.050 0.000 1.669 305 H CA -0.586 55.480 56.048 0.030 0.000 1.293 305 H CB -0.217 29.518 29.762 -0.044 0.000 1.640 305 H HN 0.398 nan 8.280 nan 0.000 0.553 306 N N 1.456 120.241 118.700 0.141 0.000 2.184 306 N HA -0.219 4.521 4.740 -0.000 0.000 0.190 306 N C 1.827 177.386 175.510 0.083 0.000 1.011 306 N CA 1.268 54.367 53.050 0.081 0.000 0.867 306 N CB -0.114 38.411 38.487 0.064 0.000 0.993 306 N HN 0.756 nan 8.380 nan 0.000 0.433 307 H N -0.213 118.856 119.070 -0.002 0.000 2.423 307 H HA 0.171 4.726 4.556 -0.000 0.000 0.297 307 H C 1.862 177.192 175.328 0.003 0.000 1.075 307 H CA 1.215 57.254 56.048 -0.015 0.000 1.342 307 H CB -0.570 29.164 29.762 -0.047 0.000 1.395 307 H HN 0.146 nan 8.280 nan 0.000 0.530 308 A N 1.936 124.437 122.820 -0.532 0.000 1.897 308 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 308 A C 2.731 180.245 177.584 -0.118 0.000 1.181 308 A CA 1.009 52.860 52.037 -0.310 0.000 0.620 308 A CB -0.723 18.097 19.000 -0.300 0.000 0.821 308 A HN 0.338 nan 8.150 nan 0.000 0.443 309 I N -0.062 120.459 120.570 -0.082 0.000 2.264 309 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 309 I C 2.959 179.064 176.117 -0.020 0.000 1.111 309 I CA 1.025 62.304 61.300 -0.035 0.000 1.382 309 I CB -0.404 37.586 38.000 -0.016 0.000 1.060 309 I HN 0.372 nan 8.210 nan 0.000 0.418 310 A N 1.158 123.972 122.820 -0.010 0.000 1.883 310 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 310 A C 2.477 180.056 177.584 -0.008 0.000 1.186 310 A CA 2.011 54.048 52.037 0.001 0.000 0.624 310 A CB -1.495 17.516 19.000 0.019 0.000 0.822 310 A HN 0.451 nan 8.150 nan 0.000 0.444 311 G N -0.556 108.235 108.800 -0.015 0.000 2.446 311 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 311 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 311 G C 1.542 176.432 174.900 -0.016 0.000 1.168 311 G CA 1.345 46.436 45.100 -0.016 0.000 0.771 311 G HN 0.330 nan 8.290 nan 0.000 0.551 312 V N 1.652 121.557 119.914 -0.016 0.000 2.255 312 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 312 V C 3.374 179.459 176.094 -0.015 0.000 1.051 312 V CA 2.165 64.461 62.300 -0.007 0.000 1.018 312 V CB -1.024 30.798 31.823 -0.002 0.000 0.641 312 V HN 0.501 nan 8.190 nan 0.000 0.445 313 A N -0.296 122.515 122.820 -0.016 0.000 1.917 313 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 313 A C 2.395 179.959 177.584 -0.034 0.000 1.182 313 A CA 2.421 54.446 52.037 -0.021 0.000 0.633 313 A CB -0.814 18.178 19.000 -0.013 0.000 0.819 313 A HN 0.359 nan 8.150 nan 0.000 0.448 314 V N -0.382 119.514 119.914 -0.031 0.000 2.295 314 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 314 V C 3.055 179.112 176.094 -0.063 0.000 1.049 314 V CA 2.065 64.342 62.300 -0.039 0.000 1.024 314 V CB -1.254 30.553 31.823 -0.026 0.000 0.648 314 V HN 0.642 nan 8.190 nan 0.000 0.447 315 A N -0.631 122.152 122.820 -0.062 0.000 1.930 315 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 315 A C 2.241 179.726 177.584 -0.166 0.000 1.175 315 A CA 1.554 53.531 52.037 -0.099 0.000 0.627 315 A CB -0.503 18.464 19.000 -0.056 0.000 0.815 315 A HN 0.486 nan 8.150 nan 0.000 0.443 316 L N -0.600 120.555 121.223 -0.113 0.000 2.012 316 L HA -0.236 4.103 4.340 -0.000 0.000 0.210 316 L C 2.687 179.449 176.870 -0.180 0.000 1.073 316 L CA 2.087 56.848 54.840 -0.132 0.000 0.748 316 L CB -0.410 41.616 42.059 -0.054 0.000 0.891 316 L HN 0.512 nan 8.230 nan 0.000 0.431 317 K N 0.018 120.339 120.400 -0.132 0.000 2.009 317 K HA -0.260 4.060 4.320 -0.000 0.000 0.210 317 K C 2.076 178.579 176.600 -0.161 0.000 1.049 317 K CA 1.756 57.971 56.287 -0.121 0.000 0.929 317 K CB -0.087 32.366 32.500 -0.079 0.000 0.714 317 K HN 0.347 nan 8.250 nan 0.000 0.440 318 Q N 0.191 119.881 119.800 -0.184 0.000 2.181 318 Q HA -0.084 4.256 4.340 -0.000 0.000 0.205 318 Q C 0.899 176.639 176.000 -0.434 0.000 0.980 318 Q CA 0.887 56.565 55.803 -0.208 0.000 0.862 318 Q CB -0.181 28.456 28.738 -0.167 0.000 0.905 318 Q HN 0.378 nan 8.270 nan 0.000 0.429 322 T N 0.390 115.006 114.554 0.104 0.000 2.978 322 T HA 0.077 4.427 4.350 -0.000 0.000 0.262 322 T C 1.551 176.320 174.700 0.116 0.000 1.063 322 T CA 1.509 63.666 62.100 0.095 0.000 1.140 322 T CB -0.330 68.575 68.868 0.062 0.000 0.886 322 T HN 0.737 nan 8.240 nan 0.000 0.470 323 E N 0.770 121.047 120.200 0.127 0.000 2.204 323 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 323 E C 1.465 178.190 176.600 0.207 0.000 0.990 323 E CA 0.651 57.134 56.400 0.137 0.000 0.821 323 E CB -0.276 29.494 29.700 0.116 0.000 0.750 323 E HN 0.450 nan 8.360 nan 0.000 0.477 324 F N 1.309 121.308 119.950 0.082 0.000 2.118 324 F HA 0.003 4.530 4.527 -0.000 0.000 0.293 324 F C 2.077 177.962 175.800 0.142 0.000 1.102 324 F CA 1.284 59.363 58.000 0.131 0.000 1.247 324 F CB -0.073 38.970 39.000 0.071 0.000 1.017 324 F HN -0.200 nan 8.300 nan 0.000 0.475 325 K N 0.570 121.045 120.400 0.125 0.000 2.160 325 K HA -0.242 4.078 4.320 -0.000 0.000 0.206 325 K C 2.265 178.830 176.600 -0.059 0.000 1.047 325 K CA 1.909 58.197 56.287 0.001 0.000 0.930 325 K CB -0.524 32.009 32.500 0.055 0.000 0.720 325 K HN 0.534 nan 8.250 nan 0.000 0.450 326 I N -0.013 120.556 120.570 -0.001 0.000 2.406 326 I HA -0.224 3.946 4.170 -0.000 0.000 0.249 326 I C 2.154 178.255 176.117 -0.026 0.000 1.122 326 I CA 0.874 62.172 61.300 -0.003 0.000 1.431 326 I CB -0.203 37.822 38.000 0.042 0.000 1.087 326 I HN 0.210 nan 8.210 nan 0.000 0.424 327 Y N 1.869 122.101 120.300 -0.113 0.000 2.097 327 Y HA -0.344 4.206 4.550 -0.000 0.000 0.282 327 Y C 2.506 178.297 175.900 -0.181 0.000 1.152 327 Y CA 2.225 60.251 58.100 -0.124 0.000 1.136 327 Y CB -0.810 37.562 38.460 -0.147 0.000 0.975 327 Y HN 0.220 nan 8.280 nan 0.000 0.498 328 Q N 0.472 119.864 119.800 -0.680 0.000 2.181 328 Q HA -0.143 4.197 4.340 -0.000 0.000 0.205 328 Q C 2.282 178.031 176.000 -0.418 0.000 0.980 328 Q CA 1.933 57.313 55.803 -0.704 0.000 0.862 328 Q CB -0.500 27.915 28.738 -0.539 0.000 0.905 328 Q HN 0.682 nan 8.270 nan 0.000 0.429 329 L N -0.517 120.544 121.223 -0.270 0.000 2.056 329 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 329 L C 2.371 179.145 176.870 -0.160 0.000 1.078 329 L CA 1.287 56.026 54.840 -0.167 0.000 0.749 329 L CB -0.319 41.680 42.059 -0.099 0.000 0.901 329 L HN 0.277 nan 8.230 nan 0.000 0.433 330 Q N -0.091 119.610 119.800 -0.165 0.000 2.084 330 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 330 Q C 2.049 177.952 176.000 -0.162 0.000 0.978 330 Q CA 1.838 57.577 55.803 -0.106 0.000 0.844 330 Q CB -0.384 28.335 28.738 -0.031 0.000 0.898 330 Q HN 0.308 nan 8.270 nan 0.000 0.426 331 V N 0.485 120.212 119.914 -0.311 0.000 2.282 331 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 331 V C 2.360 178.324 176.094 -0.217 0.000 1.057 331 V CA 1.963 64.081 62.300 -0.304 0.000 1.032 331 V CB -0.701 30.835 31.823 -0.478 0.000 0.645 331 V HN 0.379 nan 8.190 nan 0.000 0.447 332 L N -0.197 120.912 121.223 -0.190 0.000 1.994 332 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 332 L C 2.817 179.602 176.870 -0.141 0.000 1.071 332 L CA 1.701 56.460 54.840 -0.135 0.000 0.745 332 L CB -0.919 41.076 42.059 -0.106 0.000 0.892 332 L HN 0.375 nan 8.230 nan 0.000 0.431 333 A N 0.407 123.152 122.820 -0.124 0.000 1.884 333 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 333 A C 2.016 179.515 177.584 -0.142 0.000 1.197 333 A CA 2.312 54.289 52.037 -0.100 0.000 0.637 333 A CB -0.804 18.159 19.000 -0.062 0.000 0.827 333 A HN 0.482 nan 8.150 nan 0.000 0.450 334 N N -0.482 118.097 118.700 -0.202 0.000 2.192 334 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 334 N C 1.765 176.934 175.510 -0.567 0.000 1.013 334 N CA 1.417 54.222 53.050 -0.408 0.000 0.863 334 N CB -1.098 37.016 38.487 -0.621 0.000 0.990 334 N HN 0.642 nan 8.380 nan 0.000 0.430 335 C N 1.534 120.590 119.300 -0.407 0.000 2.436 335 C HA -0.030 4.430 4.460 -0.000 0.000 0.277 335 C C 2.661 177.520 174.990 -0.219 0.000 1.241 335 C CA 0.676 59.501 59.018 -0.323 0.000 1.721 335 C CB -0.834 26.777 27.740 -0.215 0.000 2.043 335 C HN 0.435 nan 8.230 nan 0.000 0.472 336 R N 0.941 121.346 120.500 -0.159 0.000 2.115 336 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 336 R C 2.514 178.762 176.300 -0.087 0.000 1.133 336 R CA 1.991 58.028 56.100 -0.104 0.000 0.935 336 R CB -0.902 29.351 30.300 -0.078 0.000 0.853 336 R HN 0.630 nan 8.270 nan 0.000 0.433 337 A N 1.441 124.209 122.820 -0.086 0.000 1.896 337 A HA -0.244 4.075 4.320 -0.000 0.000 0.220 337 A C 2.149 179.723 177.584 -0.016 0.000 1.206 337 A CA 1.876 53.894 52.037 -0.032 0.000 0.647 337 A CB -0.743 18.259 19.000 0.003 0.000 0.828 337 A HN 0.301 nan 8.150 nan 0.000 0.455 338 L N -0.431 120.754 121.223 -0.062 0.000 2.093 338 L HA -0.048 4.291 4.340 -0.000 0.000 0.208 338 L C 2.551 179.406 176.870 -0.026 0.000 1.085 338 L CA 2.615 57.450 54.840 -0.008 0.000 0.755 338 L CB -0.769 41.260 42.059 -0.050 0.000 0.904 338 L HN 0.361 nan 8.230 nan 0.000 0.435 339 S N -1.089 114.573 115.700 -0.062 0.000 2.406 339 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 339 S C 1.524 176.107 174.600 -0.027 0.000 1.020 339 S CA 1.349 59.517 58.200 -0.054 0.000 0.965 339 S CB -0.286 62.868 63.200 -0.076 0.000 0.798 339 S HN 0.601 nan 8.310 nan 0.000 0.488 340 D N 1.489 121.876 120.400 -0.022 0.000 2.085 340 D HA 0.127 4.767 4.640 -0.000 0.000 0.199 340 D C 2.319 178.624 176.300 0.009 0.000 0.981 340 D CA 1.318 55.313 54.000 -0.009 0.000 0.834 340 D CB -0.584 40.210 40.800 -0.010 0.000 0.992 340 D HN 0.417 nan 8.370 nan 0.000 0.457 341 A N 0.250 123.080 122.820 0.018 0.000 1.948 341 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 341 A C 1.993 179.605 177.584 0.047 0.000 1.177 341 A CA 1.151 53.209 52.037 0.035 0.000 0.636 341 A CB -0.623 18.407 19.000 0.051 0.000 0.815 341 A HN 0.165 nan 8.150 nan 0.000 0.449 342 L N -0.783 120.463 121.223 0.039 0.000 2.131 342 L HA -0.042 4.298 4.340 -0.000 0.000 0.206 342 L C 2.663 179.603 176.870 0.116 0.000 1.087 342 L CA 2.321 57.195 54.840 0.058 0.000 0.767 342 L CB -1.056 40.993 42.059 -0.017 0.000 0.917 342 L HN 0.373 nan 8.230 nan 0.000 0.441 343 T N -1.231 113.357 114.554 0.057 0.000 2.737 343 T HA -0.208 4.142 4.350 -0.000 0.000 0.265 343 T C 1.741 176.457 174.700 0.026 0.000 1.038 343 T CA 1.363 63.489 62.100 0.044 0.000 1.144 343 T CB -0.085 68.791 68.868 0.012 0.000 0.866 343 T HN 0.374 nan 8.240 nan 0.000 0.434 344 E N 0.818 121.029 120.200 0.018 0.000 2.070 344 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 344 E C 1.966 178.560 176.600 -0.010 0.000 1.004 344 E CA 1.005 57.407 56.400 0.003 0.000 0.805 344 E CB -0.273 29.432 29.700 0.009 0.000 0.744 344 E HN 0.422 nan 8.360 nan 0.000 0.451 345 L N -0.444 120.782 121.223 0.006 0.000 2.549 345 L HA -0.043 4.297 4.340 -0.000 0.000 0.229 345 L C 1.271 178.028 176.870 -0.189 0.000 1.158 345 L CA 0.725 55.523 54.840 -0.070 0.000 0.842 345 L CB -0.139 41.896 42.059 -0.040 0.000 0.952 345 L HN 0.538 nan 8.230 nan 0.000 0.452 346 G N -1.532 107.198 108.800 -0.118 0.000 2.140 346 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.211 346 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.211 346 G C -0.272 174.454 174.900 -0.290 0.000 1.013 346 G CA -0.558 44.421 45.100 -0.202 0.000 0.705 346 G HN 0.235 nan 8.290 nan 0.000 0.508 347 Y N -0.339 119.915 120.300 -0.076 0.000 2.496 347 Y HA 0.628 5.178 4.550 -0.000 0.000 0.331 347 Y C 0.752 176.625 175.900 -0.045 0.000 1.140 347 Y CA -0.799 57.267 58.100 -0.058 0.000 1.166 347 Y CB 1.287 39.712 38.460 -0.058 0.000 1.249 347 Y HN 0.062 nan 8.280 nan 0.000 0.479 348 K N 2.990 123.470 120.400 0.133 0.000 2.248 348 K HA 0.362 4.682 4.320 -0.000 0.000 0.281 348 K C -1.444 175.180 176.600 0.039 0.000 1.054 348 K CA -0.376 55.946 56.287 0.057 0.000 0.903 348 K CB 0.321 32.841 32.500 0.033 0.000 1.077 348 K HN 0.506 nan 8.250 nan 0.000 0.474 349 I N 5.639 126.214 120.570 0.009 0.000 2.328 349 I HA 0.114 4.284 4.170 -0.000 0.000 0.287 349 I C 0.180 176.268 176.117 -0.048 0.000 1.012 349 I CA -0.876 60.409 61.300 -0.026 0.000 1.195 349 I CB 1.149 39.127 38.000 -0.037 0.000 1.350 349 I HN 0.382 nan 8.210 nan 0.000 0.464 350 V N 6.645 126.522 119.914 -0.062 0.000 2.752 350 V HA -0.078 4.042 4.120 -0.000 0.000 0.306 350 V C 1.545 177.558 176.094 -0.136 0.000 1.099 350 V CA 1.473 63.725 62.300 -0.081 0.000 1.240 350 V CB -0.137 31.632 31.823 -0.090 0.000 0.887 350 V HN 1.094 nan 8.190 nan 0.000 0.499 351 T N 1.093 115.574 114.554 -0.123 0.000 6.885 351 T HA -0.251 4.099 4.350 -0.000 0.000 0.286 351 T C 1.606 176.262 174.700 -0.074 0.000 2.119 351 T CA 1.617 63.619 62.100 -0.162 0.000 3.358 351 T CB -1.867 66.702 68.868 -0.499 0.000 1.764 351 T HN 2.695 nan 8.240 nan 0.000 1.202 352 G N -0.269 108.498 108.800 -0.055 0.000 2.498 352 G HA2 0.232 4.192 3.960 -0.000 0.000 0.229 352 G HA3 0.232 4.192 3.960 -0.000 0.000 0.229 352 G C 1.206 176.074 174.900 -0.053 0.000 1.156 352 G CA 0.737 45.817 45.100 -0.033 0.000 0.680 352 G HN 2.227 nan 8.290 nan 0.000 0.512 353 G N -1.295 107.455 108.800 -0.084 0.000 2.726 353 G HA2 0.737 4.697 3.960 -0.000 0.000 0.198 353 G HA3 0.737 4.697 3.960 -0.000 0.000 0.198 353 G C -0.708 174.110 174.900 -0.136 0.000 1.195 353 G CA 0.916 45.961 45.100 -0.093 0.000 0.951 353 G HN 1.627 nan 8.290 nan 0.000 0.532 354 S N -1.374 114.251 115.700 -0.125 0.000 2.564 354 S HA 0.578 5.048 4.470 -0.000 0.000 0.274 354 S C -1.099 173.435 174.600 -0.110 0.000 1.124 354 S CA -0.372 57.739 58.200 -0.148 0.000 0.869 354 S CB 2.078 65.184 63.200 -0.157 0.000 1.105 354 S HN 0.322 nan 8.310 nan 0.000 0.472 355 D N 1.270 121.608 120.400 -0.104 0.000 2.449 355 D HA 0.208 4.848 4.640 -0.000 0.000 0.210 355 D C 0.457 176.742 176.300 -0.026 0.000 1.094 355 D CA 0.438 54.405 54.000 -0.054 0.000 0.846 355 D CB 0.283 41.060 40.800 -0.038 0.000 1.003 355 D HN 0.671 nan 8.370 nan 0.000 0.504 356 N N -0.773 117.909 118.700 -0.030 0.000 3.364 356 N HA 0.004 4.744 4.740 -0.000 0.000 0.337 356 N C 0.952 176.480 175.510 0.030 0.000 1.448 356 N CA -0.295 52.786 53.050 0.051 0.000 0.645 356 N CB -0.280 38.310 38.487 0.171 0.000 1.938 356 N HN -0.142 nan 8.380 nan 0.000 0.541 357 H N -0.875 118.159 119.070 -0.059 0.000 2.551 357 H HA 0.373 4.929 4.556 -0.000 0.000 0.271 357 H C -0.228 175.059 175.328 -0.068 0.000 0.984 357 H CA -0.322 55.682 56.048 -0.073 0.000 1.164 357 H CB -0.425 29.318 29.762 -0.032 0.000 1.437 357 H HN 0.476 nan 8.280 nan 0.000 0.550 358 L N -0.021 120.843 121.223 -0.597 0.000 2.303 358 L HA 0.720 5.060 4.340 -0.000 0.000 0.256 358 L C -0.558 176.142 176.870 -0.283 0.000 1.034 358 L CA -1.711 52.859 54.840 -0.451 0.000 0.832 358 L CB 2.116 43.829 42.059 -0.576 0.000 1.403 358 L HN 0.104 nan 8.230 nan 0.000 0.419 359 I N -1.266 119.178 120.570 -0.209 0.000 2.913 359 I HA 0.824 4.994 4.170 -0.000 0.000 0.302 359 I C -1.591 174.446 176.117 -0.135 0.000 1.246 359 I CA -0.897 60.303 61.300 -0.166 0.000 1.010 359 I CB 2.280 40.198 38.000 -0.136 0.000 1.259 359 I HN 0.743 nan 8.210 nan 0.000 0.434 363 L N 1.979 123.229 121.223 0.046 0.000 2.450 363 L HA 0.125 4.465 4.340 -0.000 0.000 0.224 363 L C 2.426 179.320 176.870 0.040 0.000 1.149 363 L CA 0.994 55.876 54.840 0.070 0.000 0.816 363 L CB -0.712 41.373 42.059 0.045 0.000 0.932 363 L HN 0.490 nan 8.230 nan 0.000 0.449 364 R N 0.184 120.696 120.500 0.019 0.000 2.133 364 R HA -0.186 4.154 4.340 -0.000 0.000 0.247 364 R C 1.565 177.869 176.300 0.006 0.000 1.151 364 R CA 1.649 57.754 56.100 0.007 0.000 0.971 364 R CB -0.183 30.119 30.300 0.004 0.000 0.866 364 R HN 0.525 nan 8.270 nan 0.000 0.447 365 S N -0.051 115.655 115.700 0.010 0.000 3.033 365 S HA 0.122 4.592 4.470 -0.000 0.000 0.258 365 S C 0.242 174.835 174.600 -0.012 0.000 1.207 365 S CA -0.097 58.100 58.200 -0.004 0.000 1.248 365 S CB 0.425 63.620 63.200 -0.009 0.000 0.932 365 S HN 0.190 nan 8.310 nan 0.000 0.472 366 K N -0.589 119.811 120.400 0.000 0.000 2.617 366 K HA 0.217 4.537 4.320 -0.000 0.000 0.184 366 K C 1.121 177.724 176.600 0.006 0.000 1.295 366 K CA 0.400 56.688 56.287 0.002 0.000 1.112 366 K CB 0.291 32.808 32.500 0.028 0.000 1.069 366 K HN 0.493 nan 8.250 nan 0.000 0.570 367 G N 1.510 110.309 108.800 -0.001 0.000 2.302 367 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.263 367 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.263 367 G C 0.459 175.349 174.900 -0.016 0.000 0.995 367 G CA 1.525 46.621 45.100 -0.006 0.000 0.622 367 G HN 0.358 nan 8.290 nan 0.000 0.538 368 T N 1.222 115.767 114.554 -0.014 0.000 2.922 368 T HA 0.536 4.886 4.350 -0.000 0.000 0.285 368 T C 0.191 174.858 174.700 -0.055 0.000 1.005 368 T CA 0.404 62.474 62.100 -0.049 0.000 1.061 368 T CB 1.014 69.862 68.868 -0.033 0.000 1.007 368 T HN 0.557 nan 8.240 nan 0.000 0.502 369 D N 1.283 121.622 120.400 -0.101 0.000 2.384 369 D HA 0.509 5.149 4.640 -0.000 0.000 0.250 369 D C 1.403 177.649 176.300 -0.090 0.000 1.029 369 D CA -0.587 53.364 54.000 -0.082 0.000 0.990 369 D CB 0.458 41.206 40.800 -0.087 0.000 1.175 369 D HN 0.522 nan 8.370 nan 0.000 0.532 370 G N -0.814 107.948 108.800 -0.063 0.000 2.443 370 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.219 370 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.219 370 G C 1.327 176.186 174.900 -0.068 0.000 1.131 370 G CA 0.473 45.539 45.100 -0.056 0.000 0.775 370 G HN 0.597 nan 8.290 nan 0.000 0.547 371 G N 0.742 109.491 108.800 -0.084 0.000 2.421 371 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 371 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 371 G C 1.923 176.753 174.900 -0.117 0.000 1.171 371 G CA 0.794 45.845 45.100 -0.081 0.000 0.775 371 G HN 0.439 nan 8.290 nan 0.000 0.543 372 R N 0.511 120.850 120.500 -0.268 0.000 2.064 372 R HA 0.085 4.425 4.340 -0.000 0.000 0.228 372 R C 3.099 179.280 176.300 -0.199 0.000 1.144 372 R CA 1.152 56.934 56.100 -0.531 0.000 0.932 372 R CB -0.646 28.922 30.300 -1.221 0.000 0.833 372 R HN 0.301 nan 8.270 nan 0.000 0.429 373 A N 1.528 124.253 122.820 -0.158 0.000 1.940 373 A HA -0.320 4.000 4.320 -0.000 0.000 0.221 373 A C 2.108 179.701 177.584 0.016 0.000 1.190 373 A CA 2.088 54.109 52.037 -0.026 0.000 0.647 373 A CB -0.691 18.292 19.000 -0.028 0.000 0.821 373 A HN 0.556 nan 8.150 nan 0.000 0.457 374 E N -0.577 119.621 120.200 -0.003 0.000 2.051 374 E HA -0.290 4.060 4.350 -0.000 0.000 0.192 374 E C 2.038 178.665 176.600 0.045 0.000 0.991 374 E CA 1.710 58.119 56.400 0.015 0.000 0.799 374 E CB -0.134 29.567 29.700 0.002 0.000 0.748 374 E HN 0.425 nan 8.360 nan 0.000 0.449 375 K N 0.326 120.770 120.400 0.073 0.000 2.057 375 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 375 K C 1.953 178.625 176.600 0.120 0.000 1.049 375 K CA 1.321 57.673 56.287 0.108 0.000 0.931 375 K CB -0.441 32.159 32.500 0.166 0.000 0.714 375 K HN 0.089 nan 8.250 nan 0.000 0.440 376 V N 0.995 121.008 119.914 0.164 0.000 2.261 376 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 376 V C 2.264 178.403 176.094 0.076 0.000 1.047 376 V CA 1.927 64.310 62.300 0.138 0.000 1.015 376 V CB -0.475 31.459 31.823 0.186 0.000 0.642 376 V HN 0.270 nan 8.190 nan 0.000 0.446 377 L N 0.027 121.288 121.223 0.063 0.000 2.187 377 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 377 L C 2.551 179.438 176.870 0.027 0.000 1.100 377 L CA 1.934 56.797 54.840 0.038 0.000 0.765 377 L CB -0.570 41.508 42.059 0.031 0.000 0.904 377 L HN 0.496 nan 8.230 nan 0.000 0.437 378 E N 0.647 120.867 120.200 0.035 0.000 2.047 378 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 378 E C 2.232 178.844 176.600 0.020 0.000 0.987 378 E CA 1.038 57.454 56.400 0.027 0.000 0.799 378 E CB -0.051 29.669 29.700 0.033 0.000 0.752 378 E HN 0.429 nan 8.360 nan 0.000 0.449 379 A N 0.096 122.931 122.820 0.026 0.000 2.186 379 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 379 A C 1.841 179.428 177.584 0.004 0.000 1.159 379 A CA 1.190 53.236 52.037 0.015 0.000 0.680 379 A CB -0.467 18.544 19.000 0.018 0.000 0.787 379 A HN 0.472 nan 8.150 nan 0.000 0.467 380 C N -0.519 118.781 119.300 0.000 0.000 2.760 380 C HA 0.449 4.909 4.460 -0.000 0.000 0.293 380 C C 1.137 176.102 174.990 -0.042 0.000 1.383 380 C CA 0.110 59.115 59.018 -0.021 0.000 1.771 380 C CB -1.584 26.144 27.740 -0.020 0.000 2.353 380 C HN 0.586 nan 8.230 nan 0.000 0.578 381 S N 0.884 116.570 115.700 -0.022 0.000 3.698 381 S HA -0.178 4.292 4.470 -0.000 0.000 0.338 381 S C -0.186 174.401 174.600 -0.020 0.000 1.089 381 S CA 0.626 58.813 58.200 -0.020 0.000 0.991 381 S CB -1.502 61.678 63.200 -0.034 0.000 0.909 381 S HN 0.768 nan 8.310 nan 0.000 0.485 382 I N 1.145 121.710 120.570 -0.007 0.000 2.466 382 I HA 0.455 4.625 4.170 -0.000 0.000 0.279 382 I C 0.412 176.543 176.117 0.023 0.000 1.033 382 I CA -0.535 60.769 61.300 0.007 0.000 1.123 382 I CB 1.434 39.437 38.000 0.005 0.000 1.237 382 I HN 0.339 nan 8.210 nan 0.000 0.460 383 A N 5.141 127.980 122.820 0.031 0.000 2.444 383 A HA 0.223 4.543 4.320 -0.000 0.000 0.287 383 A C 0.359 177.962 177.584 0.033 0.000 1.195 383 A CA -0.040 52.017 52.037 0.033 0.000 0.858 383 A CB -0.066 18.957 19.000 0.037 0.000 1.117 383 A HN 0.906 nan 8.150 nan 0.000 0.521 384 C N 2.265 121.581 119.300 0.026 0.000 2.144 384 C HA 0.724 5.184 4.460 -0.000 0.000 0.072 384 C C 0.564 175.563 174.990 0.015 0.000 2.481 384 C CA -0.034 58.995 59.018 0.019 0.000 1.786 384 C CB 0.373 28.120 27.740 0.011 0.000 2.654 384 C HN 0.947 nan 8.230 nan 0.000 0.295 385 N N -0.361 118.342 118.700 0.005 0.000 7.226 385 N HA 0.037 4.777 4.740 -0.000 0.000 0.102 385 N C -1.767 173.735 175.510 -0.013 0.000 0.939 385 N CA -0.137 52.913 53.050 0.001 0.000 1.217 385 N CB 0.064 38.556 38.487 0.009 0.000 1.327 385 N HN 0.728 nan 8.380 nan 0.000 1.313 386 K N 1.592 121.982 120.400 -0.017 0.000 2.319 386 K HA 0.306 4.626 4.320 -0.000 0.000 0.265 386 K C -0.473 176.109 176.600 -0.030 0.000 1.000 386 K CA -0.189 56.082 56.287 -0.026 0.000 0.943 386 K CB 0.906 33.389 32.500 -0.029 0.000 0.950 386 K HN 0.482 nan 8.250 nan 0.000 0.485 387 N N 0.842 119.522 118.700 -0.034 0.000 2.777 387 N HA 0.027 4.767 4.740 -0.000 0.000 0.260 387 N C -1.635 173.855 175.510 -0.033 0.000 1.113 387 N CA -0.466 52.562 53.050 -0.037 0.000 0.996 387 N CB 1.312 39.775 38.487 -0.040 0.000 1.584 387 N HN 0.811 nan 8.380 nan 0.000 0.573 388 T N 0.311 114.847 114.554 -0.031 0.000 2.939 388 T HA 0.238 4.588 4.350 -0.000 0.000 0.319 388 T C 0.761 175.451 174.700 -0.017 0.000 1.082 388 T CA -0.299 61.788 62.100 -0.021 0.000 1.133 388 T CB -0.407 68.451 68.868 -0.017 0.000 1.019 388 T HN 0.527 nan 8.240 nan 0.000 0.548 389 C N 0.985 120.279 119.300 -0.010 0.000 2.667 389 C HA 0.726 5.186 4.460 -0.000 0.000 0.323 389 C C -2.803 172.192 174.990 0.008 0.000 1.214 389 C CA -2.887 56.129 59.018 -0.004 0.000 1.721 389 C CB 0.726 28.461 27.740 -0.009 0.000 2.275 389 C HN 0.630 nan 8.230 nan 0.000 0.491 390 P HA 0.232 nan 4.420 nan 0.000 0.255 390 P C 1.047 178.363 177.300 0.027 0.000 1.151 390 P CA 2.838 65.958 63.100 0.033 0.000 0.767 390 P CB -0.228 31.505 31.700 0.056 0.000 0.736 391 G N 3.425 112.237 108.800 0.021 0.000 3.102 391 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.200 391 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.200 391 G C -0.645 174.261 174.900 0.009 0.000 1.685 391 G CA -0.090 45.019 45.100 0.016 0.000 1.299 391 G HN 0.655 nan 8.290 nan 0.000 0.576 392 D N 2.208 122.612 120.400 0.007 0.000 2.583 392 D HA 0.342 4.982 4.640 -0.000 0.000 0.232 392 D C 1.245 177.547 176.300 0.003 0.000 1.128 392 D CA 0.270 54.272 54.000 0.003 0.000 0.859 392 D CB 0.744 41.544 40.800 -0.000 0.000 1.169 392 D HN 0.308 nan 8.370 nan 0.000 0.481 393 K N 2.100 122.502 120.400 0.002 0.000 2.167 393 K HA -0.066 4.254 4.320 -0.000 0.000 0.203 393 K C 1.782 178.384 176.600 0.004 0.000 1.052 393 K CA 0.449 56.737 56.287 0.002 0.000 0.956 393 K CB -0.561 31.939 32.500 0.001 0.000 0.735 393 K HN 0.506 nan 8.250 nan 0.000 0.451 394 S N 1.121 116.821 115.700 0.001 0.000 2.264 394 S HA -0.376 4.094 4.470 -0.000 0.000 0.361 394 S C 1.705 176.307 174.600 0.002 0.000 1.089 394 S CA 3.100 61.300 58.200 -0.001 0.000 1.906 394 S CB -0.844 62.352 63.200 -0.006 0.000 1.538 394 S HN 0.581 nan 8.310 nan 0.000 0.491 395 A N -0.411 122.410 122.820 0.002 0.000 1.467 395 A HA -0.280 4.040 4.320 -0.000 0.000 0.224 395 A C 1.570 179.154 177.584 0.001 0.000 0.419 395 A CA 1.912 53.953 52.037 0.007 0.000 1.100 395 A CB -2.032 16.981 19.000 0.022 0.000 1.463 395 A HN 0.531 nan 8.150 nan 0.000 0.719 396 L N -0.840 120.384 121.223 0.002 0.000 2.446 396 L HA 0.149 4.489 4.340 -0.000 0.000 0.219 396 L C 1.339 178.202 176.870 -0.012 0.000 1.116 396 L CA 0.592 55.431 54.840 -0.002 0.000 0.844 396 L CB -0.080 41.982 42.059 0.004 0.000 0.970 396 L HN 0.419 nan 8.230 nan 0.000 0.457 397 R N -0.166 120.325 120.500 -0.014 0.000 3.057 397 R HA 0.227 4.567 4.340 -0.000 0.000 0.291 397 R C -1.894 174.391 176.300 -0.025 0.000 1.394 397 R CA -1.564 54.522 56.100 -0.025 0.000 1.630 397 R CB 0.571 30.858 30.300 -0.022 0.000 1.268 397 R HN -0.070 nan 8.270 nan 0.000 0.621 398 P HA -0.355 nan 4.420 nan 0.000 0.220 398 P C 0.311 177.597 177.300 -0.023 0.000 0.849 398 P CA 1.887 64.971 63.100 -0.027 0.000 1.048 398 P CB 0.157 31.836 31.700 -0.034 0.000 0.727 399 S N -5.208 110.476 115.700 -0.026 0.000 2.130 399 S HA -0.051 4.419 4.470 -0.000 0.000 0.254 399 S C 0.385 174.976 174.600 -0.015 0.000 1.284 399 S CA 0.535 58.724 58.200 -0.018 0.000 1.237 399 S CB -1.784 61.410 63.200 -0.010 0.000 1.537 399 S HN 0.755 nan 8.310 nan 0.000 0.622 400 G N 0.019 108.806 108.800 -0.023 0.000 2.672 400 G HA2 0.699 4.659 3.960 -0.000 0.000 0.292 400 G HA3 0.699 4.659 3.960 -0.000 0.000 0.292 400 G C -1.552 173.329 174.900 -0.032 0.000 1.375 400 G CA -0.710 44.375 45.100 -0.025 0.000 0.890 400 G HN 0.266 nan 8.290 nan 0.000 0.476 401 L N 0.322 121.521 121.223 -0.039 0.000 2.386 401 L HA 0.627 4.967 4.340 -0.000 0.000 0.271 401 L C 0.015 176.857 176.870 -0.048 0.000 0.993 401 L CA -0.918 53.897 54.840 -0.041 0.000 0.819 401 L CB 2.595 44.625 42.059 -0.048 0.000 1.294 401 L HN 0.434 nan 8.230 nan 0.000 0.414 402 R N 3.321 123.797 120.500 -0.040 0.000 2.295 402 R HA 0.706 5.046 4.340 -0.000 0.000 0.324 402 R C -1.522 174.756 176.300 -0.036 0.000 0.968 402 R CA -0.513 55.556 56.100 -0.051 0.000 0.837 402 R CB 1.019 31.290 30.300 -0.047 0.000 1.133 402 R HN 0.578 nan 8.270 nan 0.000 0.450 403 L N 3.031 124.222 121.223 -0.053 0.000 2.346 403 L HA 0.698 5.038 4.340 -0.000 0.000 0.274 403 L C 0.379 177.222 176.870 -0.045 0.000 1.007 403 L CA -0.954 53.872 54.840 -0.024 0.000 0.818 403 L CB 2.249 44.297 42.059 -0.019 0.000 1.284 403 L HN 0.750 nan 8.230 nan 0.000 0.424 404 G N -0.750 108.060 108.800 0.016 0.000 2.605 404 G HA2 0.515 4.475 3.960 -0.000 0.000 0.296 404 G HA3 0.515 4.475 3.960 -0.000 0.000 0.296 404 G C 0.187 175.144 174.900 0.096 0.000 1.304 404 G CA 0.058 45.174 45.100 0.028 0.000 0.941 404 G HN 0.609 nan 8.290 nan 0.000 0.475 405 T N -2.515 112.089 114.554 0.084 0.000 2.985 405 T HA 0.255 4.605 4.350 -0.000 0.000 0.254 405 T C -0.863 173.962 174.700 0.209 0.000 1.021 405 T CA 0.094 62.266 62.100 0.120 0.000 0.957 405 T CB 0.350 69.076 68.868 -0.236 0.000 1.047 405 T HN 0.231 nan 8.240 nan 0.000 0.511 406 P HA -0.078 nan 4.420 nan 0.000 0.215 406 P C 1.898 179.364 177.300 0.277 0.000 1.157 406 P CA 1.891 65.129 63.100 0.230 0.000 0.874 406 P CB -0.331 31.479 31.700 0.184 0.000 0.790 407 A N -0.417 122.497 122.820 0.157 0.000 1.842 407 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 407 A C 2.280 180.024 177.584 0.268 0.000 1.206 407 A CA 1.982 54.057 52.037 0.063 0.000 0.630 407 A CB -1.753 17.194 19.000 -0.089 0.000 0.839 407 A HN 0.110 nan 8.150 nan 0.000 0.447 408 L N -0.746 120.627 121.223 0.249 0.000 2.131 408 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 408 L C 2.764 179.746 176.870 0.187 0.000 1.092 408 L CA 1.653 56.585 54.840 0.153 0.000 0.759 408 L CB -0.793 41.249 42.059 -0.028 0.000 0.903 408 L HN 0.428 nan 8.230 nan 0.000 0.435 409 T N -1.308 113.465 114.554 0.364 0.000 2.788 409 T HA -0.158 4.191 4.350 -0.000 0.000 0.268 409 T C 2.058 177.003 174.700 0.408 0.000 1.044 409 T CA 1.564 63.898 62.100 0.389 0.000 1.139 409 T CB -0.103 68.958 68.868 0.321 0.000 0.867 409 T HN 0.238 nan 8.240 nan 0.000 0.454 410 S N 0.776 116.740 115.700 0.440 0.000 2.469 410 S HA -0.001 4.469 4.470 -0.000 0.000 0.238 410 S C 1.819 176.519 174.600 0.166 0.000 0.998 410 S CA 0.689 59.021 58.200 0.220 0.000 0.957 410 S CB -0.126 63.153 63.200 0.131 0.000 0.764 410 S HN 0.445 nan 8.310 nan 0.000 0.514 411 R N -0.193 120.408 120.500 0.169 0.000 2.334 411 R HA 0.229 4.569 4.340 -0.000 0.000 0.216 411 R C 1.618 178.002 176.300 0.141 0.000 0.905 411 R CA 0.574 56.726 56.100 0.087 0.000 1.064 411 R CB 0.338 30.635 30.300 -0.005 0.000 1.046 411 R HN 0.450 nan 8.270 nan 0.000 0.508 412 G N 0.557 109.455 108.800 0.164 0.000 2.491 412 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.203 412 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.203 412 G C 0.102 175.130 174.900 0.214 0.000 1.052 412 G CA -0.681 44.552 45.100 0.223 0.000 0.675 412 G HN 0.056 nan 8.290 nan 0.000 0.504 413 L N 1.932 123.184 121.223 0.048 0.000 2.811 413 L HA 0.029 4.369 4.340 -0.000 0.000 0.304 413 L C 1.108 178.100 176.870 0.202 0.000 1.227 413 L CA 1.333 56.151 54.840 -0.037 0.000 0.880 413 L CB -0.590 41.175 42.059 -0.489 0.000 1.169 413 L HN 0.390 nan 8.230 nan 0.000 0.498 414 L N 2.406 123.778 121.223 0.248 0.000 2.267 414 L HA 0.285 4.625 4.340 -0.000 0.000 0.264 414 L C 1.346 178.415 176.870 0.332 0.000 1.021 414 L CA -0.939 54.065 54.840 0.275 0.000 0.861 414 L CB 0.736 42.912 42.059 0.195 0.000 1.443 414 L HN 0.412 nan 8.230 nan 0.000 0.475 415 E N 0.296 120.641 120.200 0.242 0.000 2.048 415 E HA -0.263 4.087 4.350 -0.000 0.000 0.202 415 E C 1.686 178.412 176.600 0.209 0.000 1.021 415 E CA 2.075 58.602 56.400 0.212 0.000 0.825 415 E CB -0.137 29.631 29.700 0.113 0.000 0.756 415 E HN 0.529 nan 8.360 nan 0.000 0.454 416 E N 0.518 120.814 120.200 0.161 0.000 2.097 416 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 416 E C 1.745 178.439 176.600 0.156 0.000 1.000 416 E CA 1.469 57.948 56.400 0.131 0.000 0.804 416 E CB -0.158 29.612 29.700 0.116 0.000 0.740 416 E HN 0.337 nan 8.360 nan 0.000 0.454 417 D N 0.064 120.598 120.400 0.224 0.000 2.117 417 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 417 D C 1.707 178.093 176.300 0.143 0.000 0.982 417 D CA 0.856 55.025 54.000 0.281 0.000 0.828 417 D CB -0.265 40.744 40.800 0.348 0.000 0.967 417 D HN 0.138 nan 8.370 nan 0.000 0.464 418 F N 1.594 121.630 119.950 0.143 0.000 2.365 418 F HA -0.058 4.469 4.527 -0.000 0.000 0.300 418 F C 2.550 178.382 175.800 0.054 0.000 1.090 418 F CA 0.821 58.879 58.000 0.096 0.000 1.408 418 F CB -0.055 38.983 39.000 0.063 0.000 1.060 418 F HN -0.068 nan 8.300 nan 0.000 0.534 419 Q N -0.128 119.785 119.800 0.188 0.000 2.096 419 Q HA -0.148 4.191 4.340 -0.000 0.000 0.197 419 Q C 2.072 178.073 176.000 0.001 0.000 0.964 419 Q CA 1.085 56.943 55.803 0.091 0.000 0.838 419 Q CB -0.176 28.595 28.738 0.054 0.000 0.906 419 Q HN 0.358 nan 8.270 nan 0.000 0.444 420 K N 0.266 120.613 120.400 -0.089 0.000 2.152 420 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 420 K C 2.070 178.460 176.600 -0.351 0.000 1.048 420 K CA 1.196 57.281 56.287 -0.337 0.000 0.933 420 K CB -0.090 32.113 32.500 -0.496 0.000 0.721 420 K HN 0.005 nan 8.250 nan 0.000 0.447 421 V N 1.443 121.313 119.914 -0.072 0.000 2.307 421 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 421 V C 2.397 178.585 176.094 0.157 0.000 1.045 421 V CA 2.008 64.400 62.300 0.154 0.000 1.024 421 V CB -0.768 31.145 31.823 0.149 0.000 0.651 421 V HN 0.369 nan 8.190 nan 0.000 0.449 422 A N -0.420 122.475 122.820 0.126 0.000 1.903 422 A HA -0.372 3.947 4.320 -0.000 0.000 0.219 422 A C 2.115 179.774 177.584 0.126 0.000 1.191 422 A CA 2.743 54.846 52.037 0.111 0.000 0.638 422 A CB -0.969 18.091 19.000 0.100 0.000 0.823 422 A HN 0.738 nan 8.150 nan 0.000 0.451 423 H N -1.690 117.368 119.070 -0.020 0.000 2.353 423 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 423 H C 1.649 176.987 175.328 0.017 0.000 1.090 423 H CA 2.016 58.052 56.048 -0.020 0.000 1.327 423 H CB -0.343 29.306 29.762 -0.190 0.000 1.383 423 H HN 0.431 nan 8.280 nan 0.000 0.508 424 F N 0.231 120.183 119.950 0.004 0.000 2.126 424 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 424 F C 2.510 178.277 175.800 -0.054 0.000 1.096 424 F CA 1.284 59.251 58.000 -0.055 0.000 1.255 424 F CB -0.723 38.253 39.000 -0.041 0.000 0.997 424 F HN 0.213 nan 8.300 nan 0.000 0.479 425 I N -1.149 119.529 120.570 0.180 0.000 2.179 425 I HA -0.339 3.831 4.170 -0.000 0.000 0.242 425 I C 2.564 178.718 176.117 0.063 0.000 1.088 425 I CA 1.670 63.016 61.300 0.077 0.000 1.357 425 I CB -0.673 37.337 38.000 0.016 0.000 1.051 425 I HN 0.145 nan 8.210 nan 0.000 0.409 426 H N 2.099 121.136 119.070 -0.055 0.000 2.289 426 H HA -0.150 4.406 4.556 -0.000 0.000 0.296 426 H C 2.305 177.627 175.328 -0.010 0.000 1.091 426 H CA 1.776 57.831 56.048 0.012 0.000 1.274 426 H CB -0.123 29.657 29.762 0.030 0.000 1.364 426 H HN 0.102 nan 8.280 nan 0.000 0.490 427 R N -0.340 120.025 120.500 -0.226 0.000 2.117 427 R HA -0.100 4.240 4.340 -0.000 0.000 0.243 427 R C 2.597 178.858 176.300 -0.066 0.000 1.143 427 R CA 1.076 57.030 56.100 -0.243 0.000 0.968 427 R CB -1.053 29.149 30.300 -0.164 0.000 0.863 427 R HN 0.515 nan 8.270 nan 0.000 0.444 428 G N 1.536 110.343 108.800 0.011 0.000 2.433 428 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 428 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 428 G C 1.583 176.525 174.900 0.070 0.000 1.186 428 G CA 0.499 45.626 45.100 0.044 0.000 0.779 428 G HN 0.190 nan 8.290 nan 0.000 0.543 429 I N 0.692 121.320 120.570 0.097 0.000 2.286 429 I HA -0.136 4.034 4.170 -0.000 0.000 0.248 429 I C 2.619 178.823 176.117 0.145 0.000 1.115 429 I CA 1.422 62.806 61.300 0.140 0.000 1.392 429 I CB -0.255 37.876 38.000 0.218 0.000 1.065 429 I HN 0.223 nan 8.210 nan 0.000 0.418 430 E N 1.810 122.079 120.200 0.116 0.000 2.065 430 E HA -0.277 4.073 4.350 -0.000 0.000 0.201 430 E C 2.195 178.826 176.600 0.052 0.000 1.016 430 E CA 1.687 58.115 56.400 0.046 0.000 0.818 430 E CB -0.417 29.213 29.700 -0.117 0.000 0.749 430 E HN 0.465 nan 8.360 nan 0.000 0.453 431 L N -0.134 121.117 121.223 0.046 0.000 2.017 431 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 431 L C 2.212 179.152 176.870 0.115 0.000 1.073 431 L CA 2.018 56.894 54.840 0.061 0.000 0.745 431 L CB -0.602 41.486 42.059 0.049 0.000 0.894 431 L HN 0.278 nan 8.230 nan 0.000 0.432 432 T N 0.526 115.176 114.554 0.159 0.000 2.635 432 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 432 T C 1.939 176.784 174.700 0.242 0.000 1.040 432 T CA 1.525 63.786 62.100 0.269 0.000 1.156 432 T CB -0.301 68.686 68.868 0.198 0.000 0.863 432 T HN 0.154 nan 8.240 nan 0.000 0.430 433 L N 1.304 122.617 121.223 0.150 0.000 2.013 433 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 433 L C 2.641 179.583 176.870 0.120 0.000 1.073 433 L CA 1.890 56.800 54.840 0.117 0.000 0.753 433 L CB -1.405 40.704 42.059 0.084 0.000 0.890 433 L HN 0.478 nan 8.230 nan 0.000 0.432 434 Q N -0.811 119.054 119.800 0.108 0.000 1.948 434 Q HA -0.252 4.088 4.340 -0.000 0.000 0.205 434 Q C 2.137 178.214 176.000 0.129 0.000 0.992 434 Q CA 1.566 57.431 55.803 0.103 0.000 0.849 434 Q CB -0.335 28.450 28.738 0.078 0.000 0.918 434 Q HN 0.365 nan 8.270 nan 0.000 0.421 435 I N 1.065 121.703 120.570 0.112 0.000 2.502 435 I HA -0.304 3.866 4.170 -0.000 0.000 0.258 435 I C 2.028 178.227 176.117 0.137 0.000 1.172 435 I CA 1.762 63.099 61.300 0.061 0.000 1.430 435 I CB -0.446 37.513 38.000 -0.069 0.000 1.086 435 I HN 0.430 nan 8.210 nan 0.000 0.440 436 Q N -0.280 119.670 119.800 0.249 0.000 2.349 436 Q HA -0.057 4.283 4.340 -0.000 0.000 0.209 436 Q C 1.393 177.486 176.000 0.155 0.000 0.920 436 Q CA 0.522 56.489 55.803 0.273 0.000 0.901 436 Q CB 0.097 29.006 28.738 0.286 0.000 1.021 436 Q HN 0.363 nan 8.270 nan 0.000 0.519 437 S N 0.556 116.324 115.700 0.112 0.000 3.456 437 S HA 0.179 4.649 4.470 -0.000 0.000 0.229 437 S C -1.068 173.519 174.600 -0.021 0.000 1.416 437 S CA -0.179 58.036 58.200 0.025 0.000 1.197 437 S CB -0.500 62.691 63.200 -0.015 0.000 1.201 437 S HN 0.509 nan 8.310 nan 0.000 0.479 441 T N -3.548 111.030 114.554 0.040 0.000 3.786 441 T HA 0.152 4.502 4.350 -0.000 0.000 0.312 441 T C -0.314 174.403 174.700 0.029 0.000 0.902 441 T CA 0.381 62.499 62.100 0.031 0.000 1.133 441 T CB -0.384 68.497 68.868 0.022 0.000 1.109 441 T HN 0.404 nan 8.240 nan 0.000 0.521 442 K N 3.645 124.061 120.400 0.028 0.000 2.199 442 K HA 0.670 4.990 4.320 -0.000 0.000 0.226 442 K C 1.516 178.135 176.600 0.033 0.000 1.237 442 K CA 0.525 56.827 56.287 0.025 0.000 1.170 442 K CB -0.541 31.973 32.500 0.022 0.000 1.418 442 K HN 0.600 nan 8.250 nan 0.000 0.255 443 A N 2.004 124.845 122.820 0.035 0.000 2.868 443 A HA -0.273 4.047 4.320 -0.000 0.000 0.250 443 A C 0.436 178.054 177.584 0.057 0.000 0.868 443 A CA 1.964 54.029 52.037 0.047 0.000 1.145 443 A CB -1.000 18.015 19.000 0.025 0.000 0.598 443 A HN 0.671 nan 8.150 nan 0.000 0.458 444 T N -2.515 112.067 114.554 0.047 0.000 1.256 444 T HA -0.091 4.259 4.350 -0.000 0.000 0.701 444 T C 0.352 175.102 174.700 0.083 0.000 0.968 444 T CA 0.501 62.632 62.100 0.051 0.000 3.707 444 T CB -1.200 67.698 68.868 0.050 0.000 2.124 444 T HN 0.980 nan 8.240 nan 0.000 0.419 445 L N 3.227 124.490 121.223 0.068 0.000 2.201 445 L HA -0.043 4.297 4.340 -0.000 0.000 0.212 445 L C 2.647 179.601 176.870 0.139 0.000 1.105 445 L CA 1.368 56.274 54.840 0.109 0.000 0.775 445 L CB -0.145 41.938 42.059 0.040 0.000 0.913 445 L HN 0.518 nan 8.230 nan 0.000 0.440 446 K N 0.136 120.588 120.400 0.086 0.000 2.160 446 K HA -0.214 4.106 4.320 -0.000 0.000 0.206 446 K C 1.781 178.427 176.600 0.077 0.000 1.047 446 K CA 1.426 57.755 56.287 0.070 0.000 0.930 446 K CB 0.079 32.607 32.500 0.047 0.000 0.720 446 K HN 0.392 nan 8.250 nan 0.000 0.450 447 E N -0.795 119.461 120.200 0.093 0.000 2.140 447 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 447 E C 1.819 178.482 176.600 0.104 0.000 0.973 447 E CA 0.306 56.755 56.400 0.083 0.000 0.829 447 E CB -0.365 29.381 29.700 0.078 0.000 0.781 447 E HN 0.240 nan 8.360 nan 0.000 0.466 448 F N 2.542 122.501 119.950 0.014 0.000 2.046 448 F HA -0.186 4.341 4.527 -0.000 0.000 0.297 448 F C 2.150 177.958 175.800 0.014 0.000 1.123 448 F CA 1.696 59.706 58.000 0.016 0.000 1.199 448 F CB 0.008 39.019 39.000 0.017 0.000 0.972 448 F HN -0.145 nan 8.300 nan 0.000 0.474 449 K N -0.086 120.437 120.400 0.205 0.000 2.281 449 K HA -0.218 4.102 4.320 -0.000 0.000 0.203 449 K C 2.090 178.672 176.600 -0.029 0.000 1.046 449 K CA 1.178 57.513 56.287 0.080 0.000 0.938 449 K CB -0.228 32.351 32.500 0.133 0.000 0.737 449 K HN 0.304 nan 8.250 nan 0.000 0.458 450 E N 1.685 121.872 120.200 -0.022 0.000 2.001 450 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 450 E C 1.841 178.392 176.600 -0.082 0.000 0.994 450 E CA 1.506 57.886 56.400 -0.034 0.000 0.815 450 E CB -0.071 29.623 29.700 -0.010 0.000 0.770 450 E HN 0.105 nan 8.360 nan 0.000 0.453 451 K N 0.282 120.613 120.400 -0.115 0.000 2.044 451 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 451 K C 2.369 178.854 176.600 -0.192 0.000 1.049 451 K CA 1.606 57.807 56.287 -0.143 0.000 0.927 451 K CB -0.520 31.886 32.500 -0.157 0.000 0.713 451 K HN 0.102 nan 8.250 nan 0.000 0.443 452 L N 0.848 121.885 121.223 -0.310 0.000 2.054 452 L HA -0.292 4.048 4.340 -0.000 0.000 0.220 452 L C 2.146 178.928 176.870 -0.147 0.000 1.081 452 L CA 2.491 57.154 54.840 -0.296 0.000 0.780 452 L CB -1.068 40.794 42.059 -0.328 0.000 0.893 452 L HN 0.343 nan 8.230 nan 0.000 0.438 453 A N -1.046 121.712 122.820 -0.103 0.000 1.832 453 A HA 0.174 4.494 4.320 -0.000 0.000 0.214 453 A C 1.570 179.121 177.584 -0.055 0.000 1.200 453 A CA 1.053 53.053 52.037 -0.061 0.000 0.610 453 A CB -1.410 17.566 19.000 -0.040 0.000 0.842 453 A HN 0.516 nan 8.150 nan 0.000 0.444 454 G N -0.679 108.088 108.800 -0.055 0.000 2.475 454 G HA2 0.452 4.412 3.960 -0.000 0.000 0.322 454 G HA3 0.452 4.412 3.960 -0.000 0.000 0.322 454 G C -0.583 174.286 174.900 -0.053 0.000 1.044 454 G CA 0.559 45.632 45.100 -0.046 0.000 1.047 454 G HN 0.333 nan 8.290 nan 0.000 0.436 455 D N 1.519 121.889 120.400 -0.050 0.000 3.181 455 D HA 0.068 4.708 4.640 -0.000 0.000 0.285 455 D C 1.138 177.412 176.300 -0.043 0.000 1.636 455 D CA -0.126 53.843 54.000 -0.052 0.000 0.848 455 D CB 0.005 40.763 40.800 -0.069 0.000 1.521 455 D HN 0.325 nan 8.370 nan 0.000 0.485 456 E N 0.595 120.774 120.200 -0.035 0.000 3.964 456 E HA -0.437 3.913 4.350 -0.000 0.000 0.257 456 E C 1.375 177.959 176.600 -0.026 0.000 1.307 456 E CA 2.570 58.954 56.400 -0.027 0.000 2.046 456 E CB -0.737 28.949 29.700 -0.023 0.000 1.811 456 E HN 0.424 nan 8.360 nan 0.000 0.270 457 K N 0.087 120.470 120.400 -0.027 0.000 2.117 457 K HA -0.249 4.071 4.320 -0.000 0.000 0.215 457 K C 2.295 178.882 176.600 -0.023 0.000 1.053 457 K CA 2.319 58.592 56.287 -0.023 0.000 0.935 457 K CB -0.559 31.924 32.500 -0.029 0.000 0.719 457 K HN 0.341 nan 8.250 nan 0.000 0.460 458 I N 0.499 121.049 120.570 -0.034 0.000 2.286 458 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 458 I C 2.661 178.759 176.117 -0.032 0.000 1.104 458 I CA 1.168 62.445 61.300 -0.038 0.000 1.397 458 I CB -0.181 37.779 38.000 -0.066 0.000 1.072 458 I HN 0.254 nan 8.210 nan 0.000 0.417 459 Q N 0.318 120.099 119.800 -0.031 0.000 2.451 459 Q HA -0.034 4.306 4.340 -0.000 0.000 0.206 459 Q C 1.910 177.902 176.000 -0.014 0.000 0.947 459 Q CA 0.584 56.373 55.803 -0.024 0.000 0.937 459 Q CB 0.295 29.018 28.738 -0.024 0.000 1.025 459 Q HN 0.355 nan 8.270 nan 0.000 0.511 460 S N -0.443 115.249 115.700 -0.012 0.000 2.446 460 S HA 0.062 4.531 4.470 -0.000 0.000 0.225 460 S C 1.725 176.325 174.600 -0.001 0.000 1.016 460 S CA 0.535 58.731 58.200 -0.006 0.000 0.943 460 S CB 0.187 63.383 63.200 -0.006 0.000 0.786 460 S HN 0.513 nan 8.310 nan 0.000 0.508 461 A N 1.197 124.016 122.820 -0.003 0.000 1.855 461 A HA 0.048 4.368 4.320 -0.000 0.000 0.213 461 A C 2.273 179.861 177.584 0.006 0.000 1.195 461 A CA 1.292 53.331 52.037 0.003 0.000 0.610 461 A CB -1.142 17.859 19.000 0.002 0.000 0.837 461 A HN 0.315 nan 8.150 nan 0.000 0.444 462 V N 0.229 120.144 119.914 0.001 0.000 2.287 462 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 462 V C 2.753 178.848 176.094 0.002 0.000 1.053 462 V CA 2.604 64.905 62.300 0.002 0.000 1.027 462 V CB -0.986 30.835 31.823 -0.003 0.000 0.646 462 V HN 0.619 nan 8.190 nan 0.000 0.447 463 A N -0.696 122.124 122.820 -0.000 0.000 1.958 463 A HA -0.262 4.058 4.320 -0.000 0.000 0.221 463 A C 2.322 179.911 177.584 0.007 0.000 1.178 463 A CA 2.960 54.998 52.037 0.001 0.000 0.642 463 A CB -1.250 17.750 19.000 0.000 0.000 0.816 463 A HN 0.632 nan 8.150 nan 0.000 0.453 464 T N -0.228 114.334 114.554 0.013 0.000 2.701 464 T HA -0.094 4.256 4.350 -0.000 0.000 0.263 464 T C 1.848 176.568 174.700 0.033 0.000 1.040 464 T CA 1.377 63.492 62.100 0.025 0.000 1.147 464 T CB -0.407 68.478 68.868 0.028 0.000 0.865 464 T HN 0.305 nan 8.240 nan 0.000 0.426 465 L N 1.670 122.912 121.223 0.032 0.000 2.046 465 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 465 L C 2.521 179.380 176.870 -0.019 0.000 1.077 465 L CA 1.716 56.578 54.840 0.038 0.000 0.747 465 L CB -0.718 41.363 42.059 0.038 0.000 0.896 465 L HN 0.086 nan 8.230 nan 0.000 0.432 466 R N -0.392 120.093 120.500 -0.024 0.000 2.103 466 R HA -0.249 4.091 4.340 -0.000 0.000 0.242 466 R C 2.277 178.550 176.300 -0.044 0.000 1.142 466 R CA 2.037 58.110 56.100 -0.045 0.000 0.960 466 R CB -0.361 29.925 30.300 -0.023 0.000 0.858 466 R HN 0.667 nan 8.270 nan 0.000 0.439 467 E N 0.483 120.676 120.200 -0.011 0.000 2.017 467 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 467 E C 1.844 178.456 176.600 0.020 0.000 0.997 467 E CA 1.700 58.104 56.400 0.007 0.000 0.804 467 E CB -0.172 29.542 29.700 0.022 0.000 0.757 467 E HN 0.451 nan 8.360 nan 0.000 0.448 468 E N -0.179 120.050 120.200 0.048 0.000 2.219 468 E HA -0.189 4.161 4.350 -0.000 0.000 0.198 468 E C 1.996 178.619 176.600 0.038 0.000 0.998 468 E CA 1.324 57.799 56.400 0.124 0.000 0.818 468 E CB 0.141 29.985 29.700 0.240 0.000 0.741 468 E HN 0.182 nan 8.360 nan 0.000 0.477 469 V N 1.117 120.894 119.914 -0.229 0.000 2.283 469 V HA -0.202 3.918 4.120 -0.000 0.000 0.243 469 V C 2.105 178.136 176.094 -0.105 0.000 1.039 469 V CA 2.052 64.058 62.300 -0.490 0.000 1.016 469 V CB -0.473 31.044 31.823 -0.510 0.000 0.650 469 V HN 0.292 nan 8.190 nan 0.000 0.449 470 E N 0.427 120.592 120.200 -0.058 0.000 2.160 470 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 470 E C 1.993 178.614 176.600 0.035 0.000 0.991 470 E CA 1.220 57.615 56.400 -0.008 0.000 0.810 470 E CB -0.252 29.441 29.700 -0.011 0.000 0.742 470 E HN 0.603 nan 8.360 nan 0.000 0.466 471 N N 0.619 119.361 118.700 0.070 0.000 2.171 471 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 471 N C 1.710 177.312 175.510 0.154 0.000 1.021 471 N CA 0.726 53.833 53.050 0.095 0.000 0.854 471 N CB -0.390 38.163 38.487 0.111 0.000 0.994 471 N HN 0.133 nan 8.380 nan 0.000 0.426 472 F N 2.154 122.161 119.950 0.096 0.000 2.134 472 F HA -0.053 4.474 4.527 -0.000 0.000 0.299 472 F C 2.223 178.185 175.800 0.270 0.000 1.097 472 F CA 1.135 59.257 58.000 0.204 0.000 1.264 472 F CB -0.530 38.655 39.000 0.308 0.000 1.001 472 F HN 0.003 nan 8.300 nan 0.000 0.479 473 A N 0.464 123.289 122.820 0.008 0.000 1.835 473 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 473 A C 2.348 179.953 177.584 0.036 0.000 1.199 473 A CA 2.552 54.558 52.037 -0.052 0.000 0.615 473 A CB -1.669 17.321 19.000 -0.017 0.000 0.838 473 A HN 0.529 nan 8.150 nan 0.000 0.444 474 S N 0.540 116.242 115.700 0.003 0.000 2.512 474 S HA -0.186 4.284 4.470 -0.000 0.000 0.253 474 S C 1.073 175.642 174.600 -0.052 0.000 0.984 474 S CA 1.410 59.600 58.200 -0.017 0.000 0.962 474 S CB -0.779 62.411 63.200 -0.018 0.000 0.747 474 S HN 0.602 nan 8.310 nan 0.000 0.525 475 N N 0.497 119.134 118.700 -0.105 0.000 2.398 475 N HA 0.258 4.998 4.740 -0.000 0.000 0.188 475 N C -0.637 174.588 175.510 -0.475 0.000 1.122 475 N CA 0.308 53.184 53.050 -0.290 0.000 0.866 475 N CB -0.081 38.166 38.487 -0.400 0.000 0.970 475 N HN 0.442 nan 8.380 nan 0.000 0.462 476 F N 0.383 120.220 119.950 -0.189 0.000 2.523 476 F HA 0.321 4.848 4.527 -0.000 0.000 0.329 476 F C 1.143 176.861 175.800 -0.137 0.000 1.061 476 F CA -1.278 56.624 58.000 -0.163 0.000 0.967 476 F CB 0.861 39.742 39.000 -0.198 0.000 1.218 476 F HN -0.234 nan 8.300 nan 0.000 0.480 477 S N 1.332 117.085 115.700 0.089 0.000 2.600 477 S HA 0.520 4.990 4.470 -0.000 0.000 0.265 477 S C -0.897 173.663 174.600 -0.067 0.000 1.325 477 S CA -0.531 57.668 58.200 -0.002 0.000 1.002 477 S CB 1.244 64.447 63.200 0.006 0.000 0.921 477 S HN 0.613 nan 8.310 nan 0.000 0.554 478 L N 1.850 122.994 121.223 -0.132 0.000 2.485 478 L HA 0.554 4.894 4.340 -0.000 0.000 0.260 478 L C -2.712 174.030 176.870 -0.213 0.000 0.998 478 L CA -1.656 53.015 54.840 -0.282 0.000 0.883 478 L CB 0.638 42.515 42.059 -0.304 0.000 1.196 478 L HN 0.559 nan 8.230 nan 0.000 0.443 479 P HA 0.542 nan 4.420 nan 0.000 0.269 479 P C -0.090 177.182 177.300 -0.045 0.000 1.205 479 P CA 0.599 63.662 63.100 -0.062 0.000 0.780 479 P CB 0.439 32.144 31.700 0.009 0.000 0.858 480 G N -0.723 108.077 108.800 0.001 0.000 2.440 480 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.684 480 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.684 480 G C -1.050 173.873 174.900 0.039 0.000 1.309 480 G CA -1.064 44.050 45.100 0.022 0.000 0.931 480 G HN 0.545 nan 8.290 nan 0.000 0.612 481 L N 0.589 121.855 121.223 0.073 0.000 2.529 481 L HA 0.194 4.534 4.340 -0.000 0.000 0.287 481 L C -1.582 175.363 176.870 0.125 0.000 1.241 481 L CA -0.982 53.931 54.840 0.123 0.000 0.857 481 L CB 0.012 42.208 42.059 0.228 0.000 1.113 481 L HN 0.307 nan 8.230 nan 0.000 0.504 482 P HA -0.079 nan 4.420 nan 0.000 0.250 482 P C 0.057 177.368 177.300 0.017 0.000 1.161 482 P CA 0.622 63.743 63.100 0.037 0.000 0.863 482 P CB 0.122 31.832 31.700 0.017 0.000 0.827 483 D N 0.676 121.082 120.400 0.010 0.000 3.076 483 D HA -0.207 4.433 4.640 -0.000 0.000 0.218 483 D C -0.117 176.179 176.300 -0.006 0.000 1.156 483 D CA 0.767 54.755 54.000 -0.020 0.000 0.921 483 D CB -0.900 39.866 40.800 -0.057 0.000 1.113 483 D HN 0.184 nan 8.370 nan 0.000 0.418 484 F N 0.000 119.921 119.950 -0.049 0.000 2.286 484 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 484 F CA 0.000 57.962 58.000 -0.063 0.000 1.383 484 F CB 0.000 38.983 39.000 -0.028 0.000 1.145 484 F HN 0.000 nan 8.300 nan 0.000 0.574