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 2rab_1_A DATA FIRST_RESID 2 DATA SEQUENCE TQHFDLIAIG GGSGGLAVAE KAAAFGKRVA LIESKALGGT cVNVGcVPKK DATA SEQUENCE VMWYASHLAE AVRDAPGFGV QASXXTLDWP RLVAGRDRYI GAINSFWDGY DATA SEQUENCE VERLGITRVD GHARFVDAHT IEVEGQRLSA DHIVIATGGR PIVPRLPGAE DATA SEQUENCE LGITSDGFFA LQQQPKRVAI IGAGYIGIEL AGLLRSFGSE VTVVALEDRL DATA SEQUENCE LFQFDPLLSA TLAENMHAQG IETHLEFAVA ALERDAQGTT LVAQDGTRLX DATA SEQUENCE GFDSVIWAVG RAPNTRDLGL EAAGIEVQSN GMVPTDAYQN TNVPGVYALG DATA SEQUENCE DITGRDQLTP VAIAAGRRLA ERLFDGQSER KLDYDNIPTV VFAHPPLSKV DATA SEQUENCE GLSEPEARER LGDVLTVYET SFTPMRYALN EHGPKTAMKL VCAGPEQRVV DATA SEQUENCE GVHVIGDGAD EMLQGFAVAV KMGATKADFD NTVAIHPGSA EELVTLKEPV DATA SEQUENCE RRPG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.868 174.700 0.281 0.000 1.109 2 T CA 0.000 62.262 62.100 0.270 0.000 1.349 2 T CB 0.000 68.922 68.868 0.090 0.000 0.612 3 Q N 0.359 120.317 119.800 0.263 0.000 1.818 3 Q HA 0.198 4.538 4.340 0.000 0.000 0.183 3 Q C 0.791 176.900 176.000 0.181 0.000 0.734 3 Q CA 0.502 56.425 55.803 0.200 0.000 0.833 3 Q CB -0.533 28.263 28.738 0.098 0.000 1.217 3 Q HN 0.740 nan 8.270 nan 0.000 0.401 4 H N -1.275 117.725 119.070 -0.117 0.000 2.517 4 H HA 0.438 4.994 4.556 0.000 0.000 0.282 4 H C -0.479 174.726 175.328 -0.205 0.000 1.023 4 H CA -1.412 54.533 56.048 -0.171 0.000 1.169 4 H CB -0.727 28.901 29.762 -0.224 0.000 1.454 4 H HN 0.312 nan 8.280 nan 0.000 0.556 5 F N 2.055 121.925 119.950 -0.132 0.000 2.443 5 F HA 0.128 4.655 4.527 0.000 0.000 0.353 5 F C 1.427 177.204 175.800 -0.037 0.000 1.101 5 F CA -0.176 57.724 58.000 -0.165 0.000 1.226 5 F CB 1.035 39.982 39.000 -0.088 0.000 1.140 5 F HN 0.065 nan 8.300 nan 0.000 0.557 6 D N 1.523 122.010 120.400 0.145 0.000 2.194 6 D HA -0.024 4.616 4.640 0.000 0.000 0.204 6 D C 0.142 176.643 176.300 0.336 0.000 0.964 6 D CA 1.281 55.403 54.000 0.203 0.000 0.846 6 D CB 0.358 41.163 40.800 0.009 0.000 0.962 6 D HN 0.204 nan 8.370 nan 0.000 0.490 7 L N 0.381 121.729 121.223 0.209 0.000 2.455 7 L HA 0.407 4.747 4.340 0.000 0.000 0.264 7 L C -1.696 175.211 176.870 0.062 0.000 0.968 7 L CA -0.501 54.467 54.840 0.214 0.000 0.827 7 L CB 2.421 44.565 42.059 0.141 0.000 1.317 7 L HN -0.247 nan 8.230 nan 0.000 0.407 8 I N 4.632 125.232 120.570 0.051 0.000 2.355 8 I HA 0.654 4.824 4.170 0.000 0.000 0.288 8 I C -0.048 176.055 176.117 -0.024 0.000 0.999 8 I CA -0.538 60.709 61.300 -0.089 0.000 1.163 8 I CB 1.858 39.777 38.000 -0.135 0.000 1.316 8 I HN 0.790 nan 8.210 nan 0.000 0.454 9 A N 8.016 130.799 122.820 -0.061 0.000 2.260 9 A HA 0.702 5.023 4.320 0.000 0.000 0.308 9 A C -0.359 177.178 177.584 -0.078 0.000 1.254 9 A CA -0.399 51.618 52.037 -0.034 0.000 0.874 9 A CB 0.211 19.191 19.000 -0.034 0.000 1.153 9 A HN 0.698 nan 8.150 nan 0.000 0.527 10 I N 2.616 123.148 120.570 -0.063 0.000 2.297 10 I HA 0.540 4.710 4.170 0.000 0.000 0.291 10 I C 0.777 176.846 176.117 -0.081 0.000 1.033 10 I CA 0.264 61.502 61.300 -0.104 0.000 1.253 10 I CB 1.000 38.923 38.000 -0.128 0.000 1.396 10 I HN 0.969 nan 8.210 nan 0.000 0.476 11 G N 3.680 112.421 108.800 -0.099 0.000 3.355 11 G HA2 -0.020 3.940 3.960 0.000 0.000 0.686 11 G HA3 -0.020 3.940 3.960 0.000 0.000 0.686 11 G C 0.044 174.886 174.900 -0.096 0.000 1.097 11 G CA -0.521 44.526 45.100 -0.087 0.000 0.881 11 G HN 0.982 nan 8.290 nan 0.000 0.550 12 G N 0.821 109.557 108.800 -0.107 0.000 3.782 12 G HA2 0.653 4.613 3.960 0.000 0.000 0.288 12 G HA3 0.653 4.613 3.960 0.000 0.000 0.288 12 G C 0.897 175.680 174.900 -0.194 0.000 1.300 12 G CA 0.932 45.947 45.100 -0.143 0.000 1.261 12 G HN 1.263 nan 8.290 nan 0.000 0.591 13 G N -0.031 108.670 108.800 -0.164 0.000 2.641 13 G HA2 0.375 4.335 3.960 0.000 0.000 0.239 13 G HA3 0.375 4.335 3.960 0.000 0.000 0.239 13 G C 1.223 175.996 174.900 -0.211 0.000 1.402 13 G CA 0.368 45.362 45.100 -0.178 0.000 1.046 13 G HN 0.157 nan 8.290 nan 0.000 0.565 14 S N -0.233 115.374 115.700 -0.155 0.000 2.359 14 S HA -0.116 4.354 4.470 0.000 0.000 0.224 14 S C 2.455 176.999 174.600 -0.093 0.000 1.035 14 S CA 1.667 59.787 58.200 -0.134 0.000 1.018 14 S CB -0.677 62.484 63.200 -0.065 0.000 0.876 14 S HN 0.764 nan 8.310 nan 0.000 0.448 15 G N 1.062 109.830 108.800 -0.054 0.000 2.402 15 G HA2 0.031 3.992 3.960 0.000 0.000 0.216 15 G HA3 0.031 3.992 3.960 0.000 0.000 0.216 15 G C 1.438 176.321 174.900 -0.029 0.000 1.162 15 G CA 0.840 45.928 45.100 -0.019 0.000 0.777 15 G HN 0.558 nan 8.290 nan 0.000 0.539 16 G N 0.816 109.582 108.800 -0.056 0.000 2.421 16 G HA2 -0.116 3.844 3.960 0.000 0.000 0.216 16 G HA3 -0.116 3.844 3.960 0.000 0.000 0.216 16 G C 1.699 176.550 174.900 -0.081 0.000 1.171 16 G CA 0.802 45.865 45.100 -0.060 0.000 0.775 16 G HN 0.276 nan 8.290 nan 0.000 0.543 17 L N 1.470 122.601 121.223 -0.153 0.000 2.012 17 L HA -0.001 4.339 4.340 0.000 0.000 0.210 17 L C 3.274 180.112 176.870 -0.055 0.000 1.073 17 L CA 1.777 56.503 54.840 -0.190 0.000 0.748 17 L CB -1.166 40.578 42.059 -0.525 0.000 0.891 17 L HN 0.308 nan 8.230 nan 0.000 0.431 18 A N -1.503 121.296 122.820 -0.036 0.000 1.877 18 A HA -0.174 4.146 4.320 0.000 0.000 0.216 18 A C 2.506 180.124 177.584 0.056 0.000 1.186 18 A CA 1.918 53.982 52.037 0.046 0.000 0.620 18 A CB -1.076 17.948 19.000 0.039 0.000 0.822 18 A HN 0.252 nan 8.150 nan 0.000 0.443 19 V N -0.326 119.611 119.914 0.039 0.000 2.379 19 V HA -0.085 4.035 4.120 0.000 0.000 0.245 19 V C 2.775 178.903 176.094 0.057 0.000 1.044 19 V CA 2.137 64.475 62.300 0.064 0.000 1.036 19 V CB -0.709 31.149 31.823 0.059 0.000 0.664 19 V HN 0.599 nan 8.190 nan 0.000 0.453 20 A N -0.315 122.513 122.820 0.013 0.000 1.865 20 A HA -0.300 4.020 4.320 0.000 0.000 0.217 20 A C 2.237 179.800 177.584 -0.036 0.000 1.191 20 A CA 2.197 54.220 52.037 -0.023 0.000 0.623 20 A CB -0.816 18.154 19.000 -0.051 0.000 0.826 20 A HN 0.737 nan 8.150 nan 0.000 0.444 21 E N -0.391 119.805 120.200 -0.005 0.000 2.049 21 E HA -0.307 4.043 4.350 0.000 0.000 0.198 21 E C 2.043 178.616 176.600 -0.044 0.000 1.007 21 E CA 1.876 58.267 56.400 -0.014 0.000 0.809 21 E CB -0.133 29.654 29.700 0.145 0.000 0.749 21 E HN 0.476 nan 8.360 nan 0.000 0.450 22 K N 0.239 120.637 120.400 -0.003 0.000 2.062 22 K HA -0.019 4.301 4.320 0.000 0.000 0.205 22 K C 1.869 178.458 176.600 -0.018 0.000 1.051 22 K CA 1.247 57.498 56.287 -0.059 0.000 0.941 22 K CB -0.338 32.194 32.500 0.054 0.000 0.719 22 K HN 0.223 nan 8.250 nan 0.000 0.440 23 A N 0.695 123.570 122.820 0.092 0.000 1.908 23 A HA -0.132 4.188 4.320 0.000 0.000 0.218 23 A C 2.361 179.878 177.584 -0.112 0.000 1.181 23 A CA 2.112 54.150 52.037 0.001 0.000 0.627 23 A CB -1.113 17.766 19.000 -0.201 0.000 0.818 23 A HN 0.415 nan 8.150 nan 0.000 0.445 24 A N -0.216 122.531 122.820 -0.121 0.000 1.902 24 A HA 0.155 4.475 4.320 0.000 0.000 0.217 24 A C 2.501 180.010 177.584 -0.124 0.000 1.181 24 A CA 2.110 54.069 52.037 -0.131 0.000 0.623 24 A CB -1.029 17.884 19.000 -0.145 0.000 0.818 24 A HN 1.128 nan 8.150 nan 0.000 0.443 25 A N -1.249 121.469 122.820 -0.171 0.000 1.972 25 A HA -0.003 4.317 4.320 0.000 0.000 0.219 25 A C 1.681 179.133 177.584 -0.220 0.000 1.169 25 A CA 1.101 53.002 52.037 -0.227 0.000 0.635 25 A CB -0.746 18.059 19.000 -0.324 0.000 0.810 25 A HN 0.522 nan 8.150 nan 0.000 0.446 26 F N -0.254 119.676 119.950 -0.034 0.000 2.725 26 F HA 0.301 4.828 4.527 0.000 0.000 0.303 26 F C 1.777 177.546 175.800 -0.052 0.000 1.167 26 F CA 0.531 58.520 58.000 -0.019 0.000 1.403 26 F CB -0.022 38.993 39.000 0.026 0.000 1.077 26 F HN 0.381 nan 8.300 nan 0.000 0.537 27 G N 0.209 109.041 108.800 0.053 0.000 2.148 27 G HA2 -0.261 3.699 3.960 0.000 0.000 0.254 27 G HA3 -0.261 3.699 3.960 0.000 0.000 0.254 27 G C 0.387 175.261 174.900 -0.044 0.000 0.981 27 G CA -0.322 44.780 45.100 0.004 0.000 0.670 27 G HN 0.142 nan 8.290 nan 0.000 0.528 28 K N -0.221 120.113 120.400 -0.110 0.000 2.126 28 K HA 0.444 4.764 4.320 0.000 0.000 0.257 28 K C 0.604 177.109 176.600 -0.158 0.000 1.007 28 K CA -0.829 55.333 56.287 -0.207 0.000 0.928 28 K CB 0.928 33.105 32.500 -0.538 0.000 1.013 28 K HN 0.345 nan 8.250 nan 0.000 0.473 29 R N 0.876 121.295 120.500 -0.135 0.000 2.202 29 R HA 0.276 4.616 4.340 0.000 0.000 0.334 29 R C -1.097 175.241 176.300 0.063 0.000 1.036 29 R CA -0.297 55.757 56.100 -0.076 0.000 0.878 29 R CB 0.439 30.611 30.300 -0.213 0.000 1.067 29 R HN 0.250 nan 8.270 nan 0.000 0.457 30 V N 3.813 123.784 119.914 0.094 0.000 2.588 30 V HA 0.665 4.785 4.120 0.000 0.000 0.304 30 V C -0.422 175.643 176.094 -0.048 0.000 1.042 30 V CA -0.896 61.416 62.300 0.019 0.000 0.877 30 V CB 1.711 33.488 31.823 -0.077 0.000 0.996 30 V HN 0.939 nan 8.190 nan 0.000 0.425 31 A N 4.690 127.315 122.820 -0.326 0.000 2.317 31 A HA 0.906 5.226 4.320 0.000 0.000 0.327 31 A C -1.142 176.273 177.584 -0.282 0.000 1.178 31 A CA -0.501 51.235 52.037 -0.502 0.000 0.817 31 A CB 1.247 19.582 19.000 -1.109 0.000 1.189 31 A HN 0.848 nan 8.150 nan 0.000 0.489 32 L N 4.140 125.239 121.223 -0.207 0.000 2.349 32 L HA 0.584 4.924 4.340 0.000 0.000 0.278 32 L C -1.180 175.605 176.870 -0.142 0.000 0.996 32 L CA -0.393 54.358 54.840 -0.148 0.000 0.825 32 L CB 1.315 43.308 42.059 -0.110 0.000 1.243 32 L HN 0.546 nan 8.230 nan 0.000 0.412 33 I N 3.803 124.288 120.570 -0.142 0.000 2.336 33 I HA 0.544 4.714 4.170 0.000 0.000 0.292 33 I C -0.235 175.816 176.117 -0.110 0.000 0.991 33 I CA -0.546 60.675 61.300 -0.131 0.000 1.227 33 I CB 1.204 39.110 38.000 -0.158 0.000 1.366 33 I HN 0.617 nan 8.210 nan 0.000 0.466 34 E N 3.406 123.555 120.200 -0.085 0.000 2.275 34 E HA 0.391 4.741 4.350 0.000 0.000 0.270 34 E C 0.160 176.734 176.600 -0.044 0.000 0.882 34 E CA -0.526 55.832 56.400 -0.069 0.000 0.758 34 E CB 1.839 31.503 29.700 -0.061 0.000 1.195 34 E HN 0.524 nan 8.360 nan 0.000 0.419 35 S N 3.519 119.201 115.700 -0.031 0.000 2.503 35 S HA 0.238 4.708 4.470 0.000 0.000 0.217 35 S C 0.727 175.338 174.600 0.018 0.000 0.999 35 S CA 0.149 58.355 58.200 0.009 0.000 0.914 35 S CB 0.217 63.447 63.200 0.050 0.000 0.782 35 S HN 0.426 nan 8.310 nan 0.000 0.520 36 K N 0.903 121.307 120.400 0.007 0.000 3.224 36 K HA 0.707 5.027 4.320 0.000 0.000 0.302 36 K C -0.415 176.188 176.600 0.005 0.000 0.977 36 K CA -0.294 56.001 56.287 0.013 0.000 1.343 36 K CB 0.046 32.558 32.500 0.021 0.000 3.431 36 K HN 0.138 nan 8.250 nan 0.000 1.096 37 A N 1.642 124.464 122.820 0.004 0.000 2.306 37 A HA 0.518 4.838 4.320 0.000 0.000 0.314 37 A C 0.058 177.629 177.584 -0.021 0.000 1.164 37 A CA -0.579 51.460 52.037 0.003 0.000 0.822 37 A CB 0.136 19.145 19.000 0.017 0.000 1.130 37 A HN 0.442 nan 8.150 nan 0.000 0.496 38 L N 1.206 122.418 121.223 -0.018 0.000 2.483 38 L HA 0.331 4.671 4.340 0.000 0.000 0.275 38 L C 1.595 178.402 176.870 -0.105 0.000 1.220 38 L CA 1.488 56.289 54.840 -0.065 0.000 0.833 38 L CB 0.356 42.412 42.059 -0.005 0.000 1.102 38 L HN 1.244 nan 8.230 nan 0.000 0.490 39 G N 0.874 109.508 108.800 -0.278 0.000 2.234 39 G HA2 -0.122 3.838 3.960 0.000 0.000 0.235 39 G HA3 -0.122 3.838 3.960 0.000 0.000 0.235 39 G C 0.710 175.495 174.900 -0.191 0.000 0.997 39 G CA 0.008 44.918 45.100 -0.318 0.000 0.623 39 G HN 1.452 nan 8.290 nan 0.000 0.514 40 G N -0.732 107.988 108.800 -0.133 0.000 2.566 40 G HA2 -0.158 3.802 3.960 0.000 0.000 0.280 40 G HA3 -0.158 3.802 3.960 0.000 0.000 0.280 40 G C 1.091 175.959 174.900 -0.053 0.000 1.225 40 G CA 1.727 46.776 45.100 -0.085 0.000 0.966 40 G HN 1.352 nan 8.290 nan 0.000 0.560 41 T N -0.402 114.128 114.554 -0.040 0.000 2.770 41 T HA -0.128 4.222 4.350 0.000 0.000 0.263 41 T C 2.412 177.086 174.700 -0.043 0.000 1.039 41 T CA 2.290 64.376 62.100 -0.023 0.000 1.142 41 T CB -0.675 68.191 68.868 -0.003 0.000 0.868 41 T HN 0.879 nan 8.240 nan 0.000 0.435 42 c N 1.331 119.906 118.600 -0.042 0.000 2.393 42 c HA -0.082 4.488 4.570 0.000 0.000 0.276 42 c C 2.783 176.846 174.090 -0.044 0.000 1.215 42 c CA 0.828 57.134 56.329 -0.038 0.000 1.743 42 c CB -1.186 41.312 42.510 -0.019 0.000 2.044 42 c HN 0.385 nan 8.230 nan 0.000 0.464 43 V N 1.615 121.512 119.914 -0.028 0.000 2.427 43 V HA -0.140 3.980 4.120 0.000 0.000 0.248 43 V C 2.197 178.275 176.094 -0.026 0.000 1.051 43 V CA 2.271 64.573 62.300 0.003 0.000 1.048 43 V CB -0.651 31.197 31.823 0.042 0.000 0.666 43 V HN 0.595 nan 8.190 nan 0.000 0.456 44 N N 0.040 118.711 118.700 -0.048 0.000 2.499 44 N HA 0.028 4.768 4.740 0.000 0.000 0.182 44 N C 1.213 176.653 175.510 -0.118 0.000 1.034 44 N CA 1.636 54.657 53.050 -0.047 0.000 0.882 44 N CB 1.100 39.582 38.487 -0.009 0.000 1.125 44 N HN 0.535 nan 8.380 nan 0.000 0.436 45 V N -3.350 116.472 119.914 -0.153 0.000 3.261 45 V HA 0.627 4.747 4.120 0.000 0.000 0.330 45 V C 0.561 176.473 176.094 -0.303 0.000 1.461 45 V CA -0.152 62.014 62.300 -0.223 0.000 1.127 45 V CB 0.539 32.407 31.823 0.076 0.000 1.044 45 V HN 0.121 nan 8.190 nan 0.000 0.499 46 G N 0.070 108.694 108.800 -0.294 0.000 3.377 46 G HA2 0.222 4.182 3.960 0.000 0.000 0.182 46 G HA3 0.222 4.182 3.960 0.000 0.000 0.182 46 G C 1.040 175.846 174.900 -0.156 0.000 1.166 46 G CA 0.633 45.645 45.100 -0.146 0.000 0.771 46 G HN 0.284 nan 8.290 nan 0.000 0.701 47 c N 0.083 118.646 118.600 -0.062 0.000 2.363 47 c HA -0.082 4.488 4.570 0.000 0.000 0.274 47 c C 2.874 176.910 174.090 -0.090 0.000 1.183 47 c CA 1.026 57.324 56.329 -0.052 0.000 1.771 47 c CB -1.509 40.996 42.510 -0.010 0.000 2.059 47 c HN 0.230 nan 8.230 nan 0.000 0.455 48 V N 2.220 122.097 119.914 -0.063 0.000 2.283 48 V HA -0.087 4.033 4.120 0.000 0.000 0.243 48 V C 0.061 176.151 176.094 -0.007 0.000 1.039 48 V CA 2.304 64.607 62.300 0.006 0.000 1.016 48 V CB -1.852 30.022 31.823 0.085 0.000 0.650 48 V HN 0.323 nan 8.190 nan 0.000 0.449 49 P HA -0.187 nan 4.420 nan 0.000 0.215 49 P C 1.678 179.030 177.300 0.087 0.000 1.153 49 P CA 1.531 64.570 63.100 -0.102 0.000 0.853 49 P CB -0.056 31.338 31.700 -0.509 0.000 0.788 50 K N 0.293 120.723 120.400 0.049 0.000 2.026 50 K HA -0.215 4.105 4.320 0.000 0.000 0.208 50 K C 2.128 178.809 176.600 0.134 0.000 1.048 50 K CA 1.707 58.173 56.287 0.299 0.000 0.929 50 K CB -0.278 32.372 32.500 0.250 0.000 0.713 50 K HN -0.194 nan 8.250 nan 0.000 0.439 51 K N 0.722 121.080 120.400 -0.070 0.000 2.097 51 K HA -0.057 4.264 4.320 0.000 0.000 0.205 51 K C 1.834 178.502 176.600 0.112 0.000 1.050 51 K CA 1.095 57.275 56.287 -0.178 0.000 0.938 51 K CB -0.220 32.076 32.500 -0.340 0.000 0.718 51 K HN 0.037 nan 8.250 nan 0.000 0.442 52 V N 0.847 120.839 119.914 0.130 0.000 2.295 52 V HA -0.284 3.836 4.120 0.000 0.000 0.246 52 V C 2.273 178.498 176.094 0.218 0.000 1.049 52 V CA 2.170 64.558 62.300 0.146 0.000 1.024 52 V CB -0.395 31.448 31.823 0.034 0.000 0.648 52 V HN 0.374 nan 8.190 nan 0.000 0.447 53 M N -2.005 117.743 119.600 0.248 0.000 2.200 53 M HA -0.170 4.310 4.480 0.000 0.000 0.265 53 M C 2.044 178.562 176.300 0.363 0.000 1.066 53 M CA 1.948 57.444 55.300 0.327 0.000 1.127 53 M CB -0.468 32.373 32.600 0.401 0.000 1.379 53 M HN 0.526 nan 8.290 nan 0.000 0.420 54 W N 0.501 121.844 121.300 0.072 0.000 2.321 54 W HA -0.261 4.399 4.660 0.000 0.000 0.306 54 W C 1.815 178.306 176.519 -0.046 0.000 1.217 54 W CA 1.799 59.110 57.345 -0.056 0.000 1.257 54 W CB -0.559 28.765 29.460 -0.226 0.000 1.145 54 W HN 0.148 nan 8.180 nan 0.000 0.509 55 Y N -0.144 120.282 120.300 0.210 0.000 2.181 55 Y HA -0.249 4.301 4.550 0.000 0.000 0.288 55 Y C 2.652 178.573 175.900 0.035 0.000 1.146 55 Y CA 1.799 59.933 58.100 0.055 0.000 1.164 55 Y CB -1.104 37.405 38.460 0.082 0.000 0.982 55 Y HN 0.019 nan 8.280 nan 0.000 0.515 56 A N -0.845 122.134 122.820 0.266 0.000 1.908 56 A HA -0.274 4.046 4.320 0.000 0.000 0.218 56 A C 2.406 180.172 177.584 0.303 0.000 1.181 56 A CA 2.116 54.307 52.037 0.257 0.000 0.627 56 A CB -1.139 18.012 19.000 0.252 0.000 0.818 56 A HN 0.434 nan 8.150 nan 0.000 0.445 57 S N -1.356 114.457 115.700 0.189 0.000 2.383 57 S HA -0.230 4.240 4.470 0.000 0.000 0.227 57 S C 1.970 176.449 174.600 -0.202 0.000 1.026 57 S CA 1.635 59.763 58.200 -0.120 0.000 0.981 57 S CB -0.550 62.368 63.200 -0.470 0.000 0.818 57 S HN 0.802 nan 8.310 nan 0.000 0.472 58 H N 0.909 119.726 119.070 -0.421 0.000 2.353 58 H HA 0.091 4.647 4.556 0.000 0.000 0.300 58 H C 1.895 177.134 175.328 -0.148 0.000 1.090 58 H CA 2.111 57.912 56.048 -0.412 0.000 1.327 58 H CB -0.372 29.044 29.762 -0.576 0.000 1.383 58 H HN 0.385 nan 8.280 nan 0.000 0.508 59 L N -0.274 120.945 121.223 -0.006 0.000 2.093 59 L HA -0.077 4.263 4.340 0.000 0.000 0.208 59 L C 2.883 179.736 176.870 -0.028 0.000 1.085 59 L CA 0.868 55.700 54.840 -0.013 0.000 0.755 59 L CB -0.649 41.450 42.059 0.067 0.000 0.904 59 L HN 0.429 nan 8.230 nan 0.000 0.435 60 A N -0.136 122.699 122.820 0.025 0.000 1.940 60 A HA -0.248 4.072 4.320 0.000 0.000 0.219 60 A C 2.189 179.766 177.584 -0.011 0.000 1.176 60 A CA 1.911 53.975 52.037 0.047 0.000 0.631 60 A CB -0.405 18.682 19.000 0.144 0.000 0.814 60 A HN 0.332 nan 8.150 nan 0.000 0.446 61 E N -0.229 119.927 120.200 -0.074 0.000 2.106 61 E HA 0.030 4.380 4.350 0.000 0.000 0.192 61 E C 2.169 178.720 176.600 -0.083 0.000 0.984 61 E CA 1.209 57.562 56.400 -0.079 0.000 0.806 61 E CB -0.420 29.210 29.700 -0.116 0.000 0.750 61 E HN 0.513 nan 8.360 nan 0.000 0.458 62 A N -0.020 122.698 122.820 -0.170 0.000 1.902 62 A HA -0.167 4.153 4.320 0.000 0.000 0.217 62 A C 2.446 179.993 177.584 -0.062 0.000 1.181 62 A CA 1.599 53.541 52.037 -0.157 0.000 0.623 62 A CB -0.772 18.097 19.000 -0.219 0.000 0.818 62 A HN 0.176 nan 8.150 nan 0.000 0.443 63 V N -0.175 119.717 119.914 -0.037 0.000 2.295 63 V HA -0.285 3.835 4.120 0.000 0.000 0.246 63 V C 2.645 178.748 176.094 0.016 0.000 1.049 63 V CA 2.338 64.636 62.300 -0.003 0.000 1.024 63 V CB -0.785 31.043 31.823 0.009 0.000 0.648 63 V HN 0.534 nan 8.190 nan 0.000 0.447 64 R N -0.194 120.317 120.500 0.019 0.000 2.091 64 R HA -0.164 4.176 4.340 0.000 0.000 0.238 64 R C 1.931 178.266 176.300 0.059 0.000 1.136 64 R CA 1.780 57.901 56.100 0.035 0.000 0.959 64 R CB -0.285 30.034 30.300 0.031 0.000 0.856 64 R HN 0.528 nan 8.270 nan 0.000 0.437 65 D N -0.316 120.128 120.400 0.074 0.000 2.323 65 D HA 0.033 4.673 4.640 0.000 0.000 0.209 65 D C 1.537 177.944 176.300 0.179 0.000 0.973 65 D CA 0.658 54.745 54.000 0.143 0.000 0.874 65 D CB 0.091 41.003 40.800 0.186 0.000 0.930 65 D HN 0.204 nan 8.370 nan 0.000 0.521 66 A N 1.860 124.742 122.820 0.103 0.000 1.908 66 A HA -0.120 4.200 4.320 0.000 0.000 0.218 66 A C -0.222 177.446 177.584 0.140 0.000 1.181 66 A CA 1.214 53.314 52.037 0.106 0.000 0.627 66 A CB -1.422 17.602 19.000 0.039 0.000 0.818 66 A HN 0.170 nan 8.150 nan 0.000 0.445 67 P HA -0.122 nan 4.420 nan 0.000 0.216 67 P C 1.699 179.043 177.300 0.072 0.000 1.150 67 P CA 1.733 64.877 63.100 0.073 0.000 0.837 67 P CB -0.400 31.329 31.700 0.048 0.000 0.786 68 G N -1.487 107.363 108.800 0.083 0.000 2.450 68 G HA2 -0.238 3.722 3.960 0.000 0.000 0.220 68 G HA3 -0.238 3.722 3.960 0.000 0.000 0.220 68 G C 0.903 175.745 174.900 -0.097 0.000 1.130 68 G CA 0.358 45.454 45.100 -0.008 0.000 0.760 68 G HN 0.238 nan 8.290 nan 0.000 0.557 69 F N 0.580 120.532 119.950 0.003 0.000 2.732 69 F HA 0.353 4.880 4.527 0.000 0.000 0.303 69 F C 1.957 177.755 175.800 -0.003 0.000 1.110 69 F CA 0.448 58.447 58.000 -0.002 0.000 1.355 69 F CB 0.656 39.651 39.000 -0.010 0.000 1.081 69 F HN 0.259 nan 8.300 nan 0.000 0.565 70 G N 0.074 108.947 108.800 0.121 0.000 2.176 70 G HA2 -0.261 3.699 3.960 0.000 0.000 0.253 70 G HA3 -0.261 3.699 3.960 0.000 0.000 0.253 70 G C 0.021 174.965 174.900 0.073 0.000 0.979 70 G CA 0.091 45.236 45.100 0.075 0.000 0.641 70 G HN 0.099 nan 8.290 nan 0.000 0.530 71 V N 1.314 121.283 119.914 0.092 0.000 2.408 71 V HA 0.662 4.782 4.120 0.000 0.000 0.267 71 V C 0.882 177.003 176.094 0.045 0.000 1.047 71 V CA 0.692 63.027 62.300 0.058 0.000 0.937 71 V CB 0.814 32.665 31.823 0.047 0.000 0.999 71 V HN 0.879 nan 8.190 nan 0.000 0.472 72 Q N 3.703 123.522 119.800 0.031 0.000 2.452 72 Q HA 0.680 5.020 4.340 0.000 0.000 0.230 72 Q C 0.081 176.094 176.000 0.020 0.000 1.180 72 Q CA 0.175 55.993 55.803 0.025 0.000 0.914 72 Q CB 0.819 29.568 28.738 0.019 0.000 1.408 72 Q HN 1.192 nan 8.270 nan 0.000 0.520 73 A N 1.667 124.501 122.820 0.023 0.000 2.356 73 A HA 0.926 5.247 4.320 0.000 0.000 0.323 73 A C 0.478 178.073 177.584 0.018 0.000 1.119 73 A CA 0.150 52.198 52.037 0.018 0.000 0.790 73 A CB 1.219 20.230 19.000 0.018 0.000 1.273 73 A HN 1.940 nan 8.150 nan 0.000 0.452 78 L N 4.281 125.526 121.223 0.038 0.000 2.319 78 L HA 0.451 4.791 4.340 0.000 0.000 0.280 78 L C -0.118 176.747 176.870 -0.008 0.000 1.099 78 L CA 0.059 54.882 54.840 -0.029 0.000 0.828 78 L CB 0.932 42.908 42.059 -0.139 0.000 1.150 78 L HN 0.839 nan 8.230 nan 0.000 0.442 79 D N 5.444 125.829 120.400 -0.024 0.000 2.468 79 D HA -0.054 4.586 4.640 0.000 0.000 0.218 79 D C 0.798 177.103 176.300 0.008 0.000 1.155 79 D CA -0.248 53.756 54.000 0.007 0.000 0.924 79 D CB 0.289 41.086 40.800 -0.006 0.000 1.029 79 D HN 0.605 nan 8.370 nan 0.000 0.515 80 W N 4.858 126.063 121.300 -0.159 0.000 2.358 80 W HA -0.100 4.560 4.660 0.000 0.000 0.303 80 W C -1.338 175.107 176.519 -0.124 0.000 1.208 80 W CA 0.795 58.027 57.345 -0.189 0.000 1.274 80 W CB -1.277 28.079 29.460 -0.174 0.000 1.138 80 W HN 0.391 nan 8.180 nan 0.000 0.515 81 P HA -0.221 nan 4.420 nan 0.000 0.215 81 P C 1.660 178.955 177.300 -0.008 0.000 1.153 81 P CA 2.506 65.667 63.100 0.102 0.000 0.853 81 P CB -0.253 31.504 31.700 0.095 0.000 0.788 82 R N 0.186 120.673 120.500 -0.021 0.000 2.083 82 R HA -0.104 4.236 4.340 0.000 0.000 0.237 82 R C 2.227 178.470 176.300 -0.095 0.000 1.137 82 R CA 1.571 57.644 56.100 -0.046 0.000 0.951 82 R CB -1.736 28.543 30.300 -0.036 0.000 0.851 82 R HN 0.139 nan 8.270 nan 0.000 0.434 83 L N -0.236 120.884 121.223 -0.172 0.000 1.989 83 L HA -0.196 4.144 4.340 0.000 0.000 0.211 83 L C 2.138 178.866 176.870 -0.236 0.000 1.071 83 L CA 1.808 56.501 54.840 -0.245 0.000 0.749 83 L CB -0.454 41.345 42.059 -0.434 0.000 0.890 83 L HN 0.126 nan 8.230 nan 0.000 0.431 84 V N 0.182 119.915 119.914 -0.302 0.000 2.287 84 V HA -0.346 3.775 4.120 0.000 0.000 0.248 84 V C 2.795 178.845 176.094 -0.074 0.000 1.053 84 V CA 1.886 64.064 62.300 -0.205 0.000 1.027 84 V CB -0.953 30.777 31.823 -0.154 0.000 0.646 84 V HN 0.610 nan 8.190 nan 0.000 0.447 85 A N 0.206 122.998 122.820 -0.048 0.000 1.883 85 A HA -0.124 4.196 4.320 0.000 0.000 0.217 85 A C 2.417 179.999 177.584 -0.003 0.000 1.186 85 A CA 2.136 54.166 52.037 -0.011 0.000 0.624 85 A CB -1.307 17.689 19.000 -0.006 0.000 0.822 85 A HN 0.542 nan 8.150 nan 0.000 0.444 86 G N -0.733 108.055 108.800 -0.019 0.000 2.433 86 G HA2 -0.260 3.700 3.960 0.000 0.000 0.216 86 G HA3 -0.260 3.700 3.960 0.000 0.000 0.216 86 G C 1.723 176.641 174.900 0.031 0.000 1.186 86 G CA 1.062 46.161 45.100 -0.001 0.000 0.779 86 G HN 0.568 nan 8.290 nan 0.000 0.543 87 R N 0.373 120.876 120.500 0.005 0.000 2.112 87 R HA -0.164 4.177 4.340 0.000 0.000 0.242 87 R C 2.102 178.462 176.300 0.101 0.000 1.137 87 R CA 2.203 58.332 56.100 0.049 0.000 0.944 87 R CB -0.449 29.857 30.300 0.009 0.000 0.857 87 R HN 0.227 nan 8.270 nan 0.000 0.435 88 D N -0.379 120.057 120.400 0.060 0.000 2.117 88 D HA -0.175 4.465 4.640 0.000 0.000 0.197 88 D C 1.945 178.286 176.300 0.068 0.000 0.987 88 D CA 0.925 54.962 54.000 0.062 0.000 0.829 88 D CB -0.327 40.499 40.800 0.044 0.000 0.961 88 D HN 0.287 nan 8.370 nan 0.000 0.460 89 R N -0.220 120.322 120.500 0.070 0.000 2.080 89 R HA -0.202 4.138 4.340 0.000 0.000 0.236 89 R C 2.305 178.659 176.300 0.090 0.000 1.137 89 R CA 1.128 57.268 56.100 0.066 0.000 0.943 89 R CB -0.756 29.579 30.300 0.058 0.000 0.846 89 R HN 0.260 nan 8.270 nan 0.000 0.431 90 Y N 1.114 121.414 120.300 -0.001 0.000 2.128 90 Y HA -0.272 4.279 4.550 0.000 0.000 0.284 90 Y C 2.207 178.114 175.900 0.012 0.000 1.154 90 Y CA 1.782 59.882 58.100 -0.001 0.000 1.149 90 Y CB -0.148 38.308 38.460 -0.005 0.000 0.976 90 Y HN 0.053 nan 8.280 nan 0.000 0.505 91 I N 0.470 121.097 120.570 0.095 0.000 2.163 91 I HA -0.275 3.895 4.170 0.000 0.000 0.243 91 I C 2.748 178.862 176.117 -0.004 0.000 1.085 91 I CA 1.674 62.991 61.300 0.028 0.000 1.347 91 I CB -2.064 35.974 38.000 0.062 0.000 1.044 91 I HN 0.421 nan 8.210 nan 0.000 0.408 92 G N 0.509 109.316 108.800 0.012 0.000 2.469 92 G HA2 -0.250 3.710 3.960 0.000 0.000 0.219 92 G HA3 -0.250 3.710 3.960 0.000 0.000 0.219 92 G C 1.849 176.751 174.900 0.003 0.000 1.150 92 G CA 1.202 46.313 45.100 0.018 0.000 0.763 92 G HN 0.519 nan 8.290 nan 0.000 0.561 93 A N 0.726 123.515 122.820 -0.051 0.000 1.902 93 A HA 0.024 4.344 4.320 0.000 0.000 0.217 93 A C 2.411 179.966 177.584 -0.049 0.000 1.181 93 A CA 1.428 53.420 52.037 -0.074 0.000 0.623 93 A CB -0.348 18.558 19.000 -0.157 0.000 0.818 93 A HN 0.402 nan 8.150 nan 0.000 0.443 94 I N -0.247 120.272 120.570 -0.084 0.000 2.252 94 I HA -0.248 3.922 4.170 0.000 0.000 0.245 94 I C 2.388 178.670 176.117 0.275 0.000 1.102 94 I CA 1.644 62.978 61.300 0.056 0.000 1.385 94 I CB -0.478 37.542 38.000 0.033 0.000 1.064 94 I HN 0.448 nan 8.210 nan 0.000 0.414 95 N N 0.685 119.502 118.700 0.195 0.000 2.120 95 N HA -0.180 4.560 4.740 0.000 0.000 0.188 95 N C 1.884 177.504 175.510 0.183 0.000 1.024 95 N CA 1.874 55.053 53.050 0.215 0.000 0.852 95 N CB -0.022 38.534 38.487 0.116 0.000 1.003 95 N HN 0.133 nan 8.380 nan 0.000 0.424 96 S N -0.484 115.283 115.700 0.112 0.000 2.368 96 S HA -0.119 4.351 4.470 0.000 0.000 0.225 96 S C 1.610 176.249 174.600 0.066 0.000 1.030 96 S CA 1.095 59.338 58.200 0.073 0.000 0.999 96 S CB -0.618 62.609 63.200 0.046 0.000 0.844 96 S HN 0.533 nan 8.310 nan 0.000 0.459 97 F N 0.827 120.730 119.950 -0.078 0.000 2.095 97 F HA -0.178 4.349 4.527 0.000 0.000 0.298 97 F C 1.878 177.588 175.800 -0.150 0.000 1.104 97 F CA 1.526 59.405 58.000 -0.203 0.000 1.232 97 F CB -0.431 38.330 39.000 -0.400 0.000 0.987 97 F HN 0.219 nan 8.300 nan 0.000 0.475 98 W N 1.191 122.354 121.300 -0.228 0.000 2.355 98 W HA -0.172 4.488 4.660 0.000 0.000 0.309 98 W C 2.385 178.798 176.519 -0.177 0.000 1.206 98 W CA 1.076 58.265 57.345 -0.260 0.000 1.284 98 W CB -0.629 28.810 29.460 -0.035 0.000 1.145 98 W HN 0.002 nan 8.180 nan 0.000 0.502 99 D N -0.423 120.050 120.400 0.122 0.000 2.127 99 D HA -0.195 4.445 4.640 0.000 0.000 0.190 99 D C 2.348 178.641 176.300 -0.011 0.000 1.000 99 D CA 2.058 56.089 54.000 0.050 0.000 0.839 99 D CB -1.265 39.562 40.800 0.043 0.000 0.955 99 D HN 0.235 nan 8.370 nan 0.000 0.446 100 G N -0.678 108.091 108.800 -0.053 0.000 2.422 100 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 100 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 100 G C 1.599 176.447 174.900 -0.086 0.000 1.146 100 G CA 0.603 45.663 45.100 -0.066 0.000 0.769 100 G HN 0.242 nan 8.290 nan 0.000 0.547 101 Y N 1.214 121.265 120.300 -0.415 0.000 2.200 101 Y HA -0.058 4.492 4.550 0.000 0.000 0.290 101 Y C 2.848 178.630 175.900 -0.198 0.000 1.137 101 Y CA 0.866 58.691 58.100 -0.459 0.000 1.163 101 Y CB -0.491 37.382 38.460 -0.979 0.000 0.988 101 Y HN 0.047 nan 8.280 nan 0.000 0.518 102 V N 0.284 120.117 119.914 -0.136 0.000 2.343 102 V HA -0.292 3.828 4.120 0.000 0.000 0.247 102 V C 2.361 178.370 176.094 -0.142 0.000 1.051 102 V CA 2.247 64.457 62.300 -0.151 0.000 1.036 102 V CB -0.562 31.240 31.823 -0.035 0.000 0.654 102 V HN 0.383 nan 8.190 nan 0.000 0.451 103 E N -0.052 120.093 120.200 -0.092 0.000 2.077 103 E HA -0.274 4.076 4.350 0.000 0.000 0.193 103 E C 2.484 179.034 176.600 -0.082 0.000 0.989 103 E CA 1.406 57.766 56.400 -0.067 0.000 0.800 103 E CB -0.130 29.546 29.700 -0.040 0.000 0.746 103 E HN 0.461 nan 8.360 nan 0.000 0.452 104 R N 0.484 120.926 120.500 -0.098 0.000 2.096 104 R HA -0.126 4.214 4.340 0.000 0.000 0.235 104 R C 2.159 178.379 176.300 -0.133 0.000 1.127 104 R CA 1.068 57.118 56.100 -0.083 0.000 0.968 104 R CB -0.172 30.116 30.300 -0.021 0.000 0.861 104 R HN 0.216 nan 8.270 nan 0.000 0.440 105 L N -0.234 120.842 121.223 -0.245 0.000 2.478 105 L HA 0.130 4.470 4.340 0.000 0.000 0.223 105 L C 1.211 177.992 176.870 -0.149 0.000 1.140 105 L CA 0.694 55.385 54.840 -0.248 0.000 0.842 105 L CB 0.064 41.886 42.059 -0.395 0.000 0.953 105 L HN 0.644 nan 8.230 nan 0.000 0.452 106 G N 0.782 109.514 108.800 -0.113 0.000 2.136 106 G HA2 -0.280 3.680 3.960 0.000 0.000 0.242 106 G HA3 -0.280 3.680 3.960 0.000 0.000 0.242 106 G C 0.201 175.069 174.900 -0.052 0.000 0.989 106 G CA -0.250 44.810 45.100 -0.067 0.000 0.682 106 G HN 0.276 nan 8.290 nan 0.000 0.522 107 I N 1.622 122.147 120.570 -0.076 0.000 2.556 107 I HA 0.175 4.345 4.170 0.000 0.000 0.284 107 I C 0.965 177.067 176.117 -0.025 0.000 1.114 107 I CA 0.182 61.448 61.300 -0.058 0.000 1.418 107 I CB 0.900 38.845 38.000 -0.092 0.000 1.394 107 I HN 0.041 nan 8.210 nan 0.000 0.552 108 T N 6.855 121.417 114.554 0.014 0.000 2.775 108 T HA 0.119 4.469 4.350 0.000 0.000 0.287 108 T C 0.371 175.038 174.700 -0.055 0.000 0.909 108 T CA -0.320 61.797 62.100 0.028 0.000 1.081 108 T CB -0.219 68.746 68.868 0.161 0.000 0.891 108 T HN 0.408 nan 8.240 nan 0.000 0.544 109 R N 2.933 123.409 120.500 -0.041 0.000 2.390 109 R HA 0.436 4.776 4.340 0.000 0.000 0.291 109 R C -1.145 175.125 176.300 -0.051 0.000 1.070 109 R CA -0.259 55.807 56.100 -0.056 0.000 1.014 109 R CB 0.642 30.919 30.300 -0.038 0.000 1.007 109 R HN 0.359 nan 8.270 nan 0.000 0.466 110 V N 4.461 124.333 119.914 -0.071 0.000 2.525 110 V HA 0.149 4.269 4.120 0.000 0.000 0.299 110 V C -0.813 175.252 176.094 -0.049 0.000 1.034 110 V CA -1.020 61.246 62.300 -0.057 0.000 0.863 110 V CB 1.914 33.688 31.823 -0.082 0.000 0.999 110 V HN 0.727 nan 8.190 nan 0.000 0.423 111 D N 3.555 123.939 120.400 -0.027 0.000 2.304 111 D HA 0.655 5.295 4.640 0.000 0.000 0.250 111 D C 0.596 176.890 176.300 -0.010 0.000 1.107 111 D CA 1.185 55.175 54.000 -0.017 0.000 0.885 111 D CB 1.705 42.503 40.800 -0.004 0.000 1.192 111 D HN 1.043 nan 8.370 nan 0.000 0.436 112 G N 0.942 109.740 108.800 -0.003 0.000 2.343 112 G HA2 -0.078 3.882 3.960 0.000 0.000 0.465 112 G HA3 -0.078 3.882 3.960 0.000 0.000 0.465 112 G C -1.310 173.609 174.900 0.032 0.000 1.282 112 G CA -1.018 44.097 45.100 0.025 0.000 0.996 112 G HN 0.604 nan 8.290 nan 0.000 0.521 113 H N 0.897 119.951 119.070 -0.026 0.000 2.705 113 H HA 0.640 5.196 4.556 0.000 0.000 0.291 113 H C 0.565 175.868 175.328 -0.043 0.000 1.085 113 H CA 0.517 56.549 56.048 -0.028 0.000 1.357 113 H CB 0.814 30.568 29.762 -0.014 0.000 1.419 113 H HN 0.988 nan 8.280 nan 0.000 0.462 114 A N 6.027 128.697 122.820 -0.250 0.000 2.363 114 A HA 0.497 4.817 4.320 0.000 0.000 0.270 114 A C 0.048 177.538 177.584 -0.156 0.000 1.121 114 A CA -0.450 51.472 52.037 -0.192 0.000 0.800 114 A CB 0.458 19.301 19.000 -0.261 0.000 1.052 114 A HN 0.851 nan 8.150 nan 0.000 0.493 115 R N 0.786 121.250 120.500 -0.059 0.000 2.686 115 R HA 0.463 4.803 4.340 0.000 0.000 0.283 115 R C -1.471 174.793 176.300 -0.060 0.000 0.978 115 R CA -0.554 55.558 56.100 0.019 0.000 0.897 115 R CB 1.657 32.027 30.300 0.117 0.000 1.192 115 R HN 0.658 nan 8.270 nan 0.000 0.457 116 F N 0.881 120.837 119.950 0.011 0.000 2.518 116 F HA 0.019 4.546 4.527 0.000 0.000 0.359 116 F C 1.383 177.180 175.800 -0.005 0.000 1.118 116 F CA 0.140 58.139 58.000 -0.002 0.000 1.287 116 F CB 0.851 39.844 39.000 -0.012 0.000 1.132 116 F HN 0.228 nan 8.300 nan 0.000 0.587 117 V N 0.555 120.566 119.914 0.163 0.000 3.455 117 V HA 0.074 4.194 4.120 0.000 0.000 0.250 117 V C -0.378 175.749 176.094 0.055 0.000 1.230 117 V CA 0.902 63.252 62.300 0.085 0.000 1.105 117 V CB 0.170 32.022 31.823 0.047 0.000 0.850 117 V HN 0.915 nan 8.190 nan 0.000 0.461 118 D N -2.423 118.011 120.400 0.056 0.000 2.825 118 D HA 0.408 5.048 4.640 0.000 0.000 0.327 118 D C 0.870 177.150 176.300 -0.034 0.000 1.277 118 D CA 0.147 54.118 54.000 -0.049 0.000 0.950 118 D CB 0.950 41.647 40.800 -0.171 0.000 1.438 118 D HN -0.077 nan 8.370 nan 0.000 0.526 119 A N -0.871 121.846 122.820 -0.171 0.000 2.076 119 A HA -0.137 4.183 4.320 0.000 0.000 0.220 119 A C 1.246 178.855 177.584 0.041 0.000 1.160 119 A CA 1.934 53.904 52.037 -0.112 0.000 0.653 119 A CB -1.077 17.859 19.000 -0.107 0.000 0.801 119 A HN 0.689 nan 8.150 nan 0.000 0.455 120 H N -3.404 115.754 119.070 0.146 0.000 2.865 120 H HA 0.315 4.871 4.556 0.000 0.000 0.247 120 H C -1.065 174.342 175.328 0.131 0.000 1.181 120 H CA 0.251 56.384 56.048 0.143 0.000 0.975 120 H CB -0.200 29.608 29.762 0.077 0.000 1.899 120 H HN 0.153 nan 8.280 nan 0.000 0.651 121 T N 2.608 117.266 114.554 0.173 0.000 2.912 121 T HA 0.511 4.861 4.350 0.000 0.000 0.299 121 T C -0.021 174.695 174.700 0.026 0.000 1.052 121 T CA -0.693 61.480 62.100 0.121 0.000 0.996 121 T CB 2.458 71.387 68.868 0.102 0.000 1.070 121 T HN 0.433 nan 8.240 nan 0.000 0.465 122 I N -0.941 119.593 120.570 -0.060 0.000 2.846 122 I HA 0.862 5.032 4.170 0.000 0.000 0.307 122 I C -0.653 175.423 176.117 -0.069 0.000 1.053 122 I CA -1.029 60.176 61.300 -0.159 0.000 1.050 122 I CB 2.361 40.163 38.000 -0.329 0.000 1.239 122 I HN 0.547 nan 8.210 nan 0.000 0.439 123 E N 2.881 123.046 120.200 -0.058 0.000 2.224 123 E HA 0.651 5.001 4.350 0.000 0.000 0.265 123 E C -1.853 174.735 176.600 -0.020 0.000 0.878 123 E CA -0.805 55.584 56.400 -0.019 0.000 0.759 123 E CB 2.355 32.061 29.700 0.009 0.000 1.164 123 E HN 0.598 nan 8.360 nan 0.000 0.414 124 V N 4.379 124.284 119.914 -0.015 0.000 2.443 124 V HA 0.182 4.302 4.120 0.000 0.000 0.293 124 V C -0.051 176.049 176.094 0.009 0.000 1.021 124 V CA -0.697 61.599 62.300 -0.007 0.000 0.848 124 V CB 1.318 33.120 31.823 -0.034 0.000 0.998 124 V HN 0.967 nan 8.190 nan 0.000 0.424 125 E N 3.618 123.831 120.200 0.022 0.000 2.257 125 E HA -0.326 4.024 4.350 0.000 0.000 0.224 125 E C 1.356 177.965 176.600 0.016 0.000 1.286 125 E CA 0.865 57.276 56.400 0.019 0.000 0.716 125 E CB -1.077 28.634 29.700 0.017 0.000 1.159 125 E HN 1.431 nan 8.360 nan 0.000 0.367 126 G N -2.395 106.414 108.800 0.016 0.000 2.308 126 G HA2 -0.346 3.614 3.960 0.000 0.000 0.221 126 G HA3 -0.346 3.614 3.960 0.000 0.000 0.221 126 G C 0.323 175.234 174.900 0.018 0.000 1.032 126 G CA 0.243 45.353 45.100 0.016 0.000 0.623 126 G HN 0.795 nan 8.290 nan 0.000 0.506 127 Q N 1.210 121.021 119.800 0.017 0.000 2.304 127 Q HA 0.731 5.071 4.340 0.000 0.000 0.260 127 Q C 0.350 176.364 176.000 0.023 0.000 0.965 127 Q CA 0.165 55.982 55.803 0.024 0.000 0.898 127 Q CB 0.170 28.923 28.738 0.026 0.000 1.196 127 Q HN 0.747 nan 8.270 nan 0.000 0.402 128 R N 1.287 121.809 120.500 0.036 0.000 2.368 128 R HA 0.763 5.103 4.340 0.000 0.000 0.302 128 R C -0.653 175.690 176.300 0.071 0.000 1.002 128 R CA -0.452 55.673 56.100 0.042 0.000 0.929 128 R CB 1.022 31.351 30.300 0.049 0.000 1.073 128 R HN 0.705 nan 8.270 nan 0.000 0.464 129 L N 1.312 122.573 121.223 0.064 0.000 2.438 129 L HA 0.434 4.774 4.340 0.000 0.000 0.270 129 L C -0.540 176.405 176.870 0.124 0.000 0.972 129 L CA -0.707 54.202 54.840 0.115 0.000 0.831 129 L CB 2.293 44.370 42.059 0.030 0.000 1.273 129 L HN 0.576 nan 8.230 nan 0.000 0.405 130 S N 1.244 117.069 115.700 0.208 0.000 2.681 130 S HA 0.946 5.416 4.470 0.000 0.000 0.299 130 S C -0.394 174.349 174.600 0.239 0.000 1.113 130 S CA -0.518 57.809 58.200 0.211 0.000 1.013 130 S CB 2.254 65.579 63.200 0.208 0.000 1.076 130 S HN 0.766 nan 8.310 nan 0.000 0.534 131 A N 0.473 123.408 122.820 0.192 0.000 2.610 131 A HA 0.589 4.909 4.320 0.000 0.000 0.291 131 A C -0.338 177.310 177.584 0.106 0.000 1.086 131 A CA -0.602 51.549 52.037 0.190 0.000 0.677 131 A CB 0.535 19.663 19.000 0.213 0.000 1.278 131 A HN 0.626 nan 8.150 nan 0.000 0.414 132 D N 0.433 120.866 120.400 0.056 0.000 2.178 132 D HA 0.009 4.649 4.640 0.000 0.000 0.202 132 D C -0.189 175.884 176.300 -0.379 0.000 0.974 132 D CA 1.561 55.454 54.000 -0.177 0.000 0.841 132 D CB 0.011 40.695 40.800 -0.193 0.000 0.953 132 D HN 0.535 nan 8.370 nan 0.000 0.478 133 H N -0.506 118.742 119.070 0.297 0.000 2.744 133 H HA 0.425 4.981 4.556 0.000 0.000 0.339 133 H C -0.269 175.272 175.328 0.355 0.000 1.004 133 H CA -0.450 55.844 56.048 0.409 0.000 1.257 133 H CB 1.679 31.679 29.762 0.397 0.000 1.552 133 H HN -0.128 nan 8.280 nan 0.000 0.522 134 I N 3.366 124.227 120.570 0.485 0.000 2.382 134 I HA 0.192 4.362 4.170 0.000 0.000 0.286 134 I C -0.093 176.286 176.117 0.438 0.000 1.002 134 I CA -0.901 60.615 61.300 0.359 0.000 1.135 134 I CB 2.025 40.207 38.000 0.304 0.000 1.288 134 I HN 0.148 nan 8.210 nan 0.000 0.448 135 V N 7.433 127.535 119.914 0.312 0.000 2.350 135 V HA 0.381 4.501 4.120 0.000 0.000 0.276 135 V C 0.301 176.506 176.094 0.184 0.000 1.028 135 V CA -0.440 62.028 62.300 0.280 0.000 0.860 135 V CB 1.460 33.388 31.823 0.175 0.000 0.990 135 V HN 0.473 nan 8.190 nan 0.000 0.453 136 I N 4.336 125.033 120.570 0.212 0.000 2.371 136 I HA 0.585 4.755 4.170 0.000 0.000 0.290 136 I C 0.601 176.777 176.117 0.098 0.000 1.028 136 I CA 0.020 61.413 61.300 0.154 0.000 1.345 136 I CB 1.207 39.330 38.000 0.205 0.000 1.407 136 I HN 0.672 nan 8.210 nan 0.000 0.501 137 A N 3.568 126.417 122.820 0.048 0.000 3.453 137 A HA 0.301 4.621 4.320 0.000 0.000 0.262 137 A C 0.627 178.209 177.584 -0.003 0.000 1.026 137 A CA -0.413 51.639 52.037 0.026 0.000 0.938 137 A CB -0.255 18.753 19.000 0.014 0.000 1.246 137 A HN 0.760 nan 8.150 nan 0.000 0.546 138 T N -2.485 112.072 114.554 0.004 0.000 3.107 138 T HA 0.456 4.806 4.350 0.000 0.000 0.249 138 T C 1.311 176.010 174.700 -0.001 0.000 1.096 138 T CA 0.902 62.993 62.100 -0.014 0.000 1.012 138 T CB -0.175 68.685 68.868 -0.014 0.000 0.977 138 T HN 2.103 nan 8.240 nan 0.000 0.527 139 G N 0.460 109.263 108.800 0.006 0.000 2.633 139 G HA2 0.197 4.157 3.960 0.000 0.000 0.263 139 G HA3 0.197 4.157 3.960 0.000 0.000 0.263 139 G C 0.100 175.011 174.900 0.019 0.000 1.310 139 G CA -0.450 44.656 45.100 0.009 0.000 0.914 139 G HN 1.066 nan 8.290 nan 0.000 0.569 140 G N -1.100 107.713 108.800 0.021 0.000 3.108 140 G HA2 0.962 4.922 3.960 0.000 0.000 0.268 140 G HA3 0.962 4.922 3.960 0.000 0.000 0.268 140 G C -0.255 174.667 174.900 0.037 0.000 1.361 140 G CA 0.126 45.244 45.100 0.029 0.000 1.047 140 G HN 1.488 nan 8.290 nan 0.000 0.540 141 R N -1.092 119.433 120.500 0.042 0.000 2.739 141 R HA 0.535 4.875 4.340 0.000 0.000 0.271 141 R C -3.265 173.068 176.300 0.054 0.000 1.010 141 R CA -1.660 54.471 56.100 0.052 0.000 0.897 141 R CB 1.553 31.882 30.300 0.049 0.000 1.236 141 R HN 0.257 nan 8.270 nan 0.000 0.466 142 P HA 0.130 nan 4.420 nan 0.000 0.268 142 P C -0.430 176.894 177.300 0.039 0.000 1.205 142 P CA -0.114 63.032 63.100 0.076 0.000 0.771 142 P CB 0.483 32.250 31.700 0.112 0.000 0.858 143 I N 2.164 122.748 120.570 0.023 0.000 2.416 143 I HA 0.129 4.299 4.170 0.000 0.000 0.288 143 I C -0.052 175.993 176.117 -0.121 0.000 1.051 143 I CA -0.442 60.835 61.300 -0.038 0.000 1.375 143 I CB 0.810 38.788 38.000 -0.036 0.000 1.407 143 I HN -0.020 nan 8.210 nan 0.000 0.516 144 V N 8.336 128.129 119.914 -0.202 0.000 2.313 144 V HA 0.279 4.399 4.120 0.000 0.000 0.278 144 V C -1.771 174.043 176.094 -0.467 0.000 1.017 144 V CA -1.548 60.494 62.300 -0.430 0.000 0.823 144 V CB 0.853 32.517 31.823 -0.265 0.000 1.010 144 V HN 0.645 nan 8.190 nan 0.000 0.443 145 P HA 0.174 nan 4.420 nan 0.000 0.269 145 P C -0.281 176.818 177.300 -0.336 0.000 1.217 145 P CA -0.329 62.483 63.100 -0.481 0.000 0.783 145 P CB 0.706 32.047 31.700 -0.599 0.000 0.898 146 R N 1.559 121.947 120.500 -0.187 0.000 4.518 146 R HA 0.341 4.681 4.340 0.000 0.000 0.243 146 R C 0.020 176.278 176.300 -0.070 0.000 1.720 146 R CA -0.231 55.803 56.100 -0.109 0.000 1.526 146 R CB -0.594 29.663 30.300 -0.073 0.000 1.425 146 R HN 0.412 nan 8.270 nan 0.000 0.787 147 L N 1.009 122.189 121.223 -0.071 0.000 2.334 147 L HA 0.491 4.831 4.340 0.000 0.000 0.270 147 L C -2.074 174.821 176.870 0.043 0.000 1.018 147 L CA -2.734 52.110 54.840 0.008 0.000 0.811 147 L CB 1.377 43.476 42.059 0.067 0.000 1.271 147 L HN -0.005 nan 8.230 nan 0.000 0.443 148 P HA 0.074 nan 4.420 nan 0.000 0.263 148 P C 0.504 177.863 177.300 0.099 0.000 1.195 148 P CA 0.442 63.580 63.100 0.064 0.000 0.762 148 P CB 0.516 32.249 31.700 0.055 0.000 0.799 149 G N 3.264 112.118 108.800 0.091 0.000 2.225 149 G HA2 -0.281 3.679 3.960 0.000 0.000 0.267 149 G HA3 -0.281 3.679 3.960 0.000 0.000 0.267 149 G C 1.113 176.125 174.900 0.187 0.000 1.024 149 G CA 0.270 45.439 45.100 0.115 0.000 0.784 149 G HN 0.666 nan 8.290 nan 0.000 0.507 150 A N 0.407 123.344 122.820 0.194 0.000 1.972 150 A HA 0.028 4.348 4.320 0.000 0.000 0.219 150 A C 2.207 179.992 177.584 0.335 0.000 1.169 150 A CA 2.063 54.285 52.037 0.308 0.000 0.635 150 A CB -0.197 18.812 19.000 0.014 0.000 0.810 150 A HN 0.979 nan 8.150 nan 0.000 0.446 151 E N 0.278 120.583 120.200 0.177 0.000 2.472 151 E HA -0.118 4.232 4.350 0.000 0.000 0.200 151 E C 1.380 178.072 176.600 0.153 0.000 1.046 151 E CA 0.496 56.983 56.400 0.145 0.000 0.871 151 E CB -0.406 29.344 29.700 0.084 0.000 0.806 151 E HN 0.420 nan 8.360 nan 0.000 0.533 152 L N 1.089 122.410 121.223 0.164 0.000 2.217 152 L HA 0.126 4.466 4.340 0.000 0.000 0.211 152 L C 1.533 178.472 176.870 0.115 0.000 1.107 152 L CA 1.258 56.169 54.840 0.118 0.000 0.783 152 L CB -1.498 40.619 42.059 0.096 0.000 0.919 152 L HN 0.110 nan 8.230 nan 0.000 0.442 153 G N -0.109 108.803 108.800 0.186 0.000 2.537 153 G HA2 0.482 4.442 3.960 0.000 0.000 0.273 153 G HA3 0.482 4.442 3.960 0.000 0.000 0.273 153 G C -0.093 174.937 174.900 0.217 0.000 1.189 153 G CA -0.368 44.799 45.100 0.111 0.000 0.881 153 G HN 0.216 nan 8.290 nan 0.000 0.535 154 I N -2.047 118.617 120.570 0.156 0.000 3.237 154 I HA 0.854 5.024 4.170 0.000 0.000 0.308 154 I C 0.460 176.723 176.117 0.243 0.000 1.093 154 I CA -0.987 60.426 61.300 0.189 0.000 1.001 154 I CB 2.236 40.314 38.000 0.130 0.000 1.245 154 I HN 0.620 nan 8.210 nan 0.000 0.485 155 T N -1.556 113.130 114.554 0.220 0.000 2.844 155 T HA 0.317 4.667 4.350 0.000 0.000 0.274 155 T C 1.098 175.918 174.700 0.200 0.000 0.991 155 T CA 0.023 62.256 62.100 0.221 0.000 0.983 155 T CB 1.050 70.036 68.868 0.197 0.000 1.310 155 T HN 0.820 nan 8.240 nan 0.000 0.596 156 S N 0.187 116.006 115.700 0.197 0.000 2.382 156 S HA -0.150 4.320 4.470 0.000 0.000 0.228 156 S C 1.368 176.187 174.600 0.364 0.000 1.027 156 S CA 1.350 59.682 58.200 0.221 0.000 0.991 156 S CB -0.977 62.372 63.200 0.248 0.000 0.823 156 S HN 0.708 nan 8.310 nan 0.000 0.469 157 D N 2.394 122.991 120.400 0.329 0.000 2.116 157 D HA -0.047 4.593 4.640 0.000 0.000 0.193 157 D C 2.187 178.661 176.300 0.291 0.000 0.998 157 D CA 1.580 55.777 54.000 0.327 0.000 0.836 157 D CB -1.134 39.794 40.800 0.214 0.000 0.951 157 D HN 0.571 nan 8.370 nan 0.000 0.449 158 G N -0.220 108.715 108.800 0.224 0.000 2.432 158 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 158 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 158 G C 1.495 176.495 174.900 0.166 0.000 1.135 158 G CA 0.316 45.522 45.100 0.176 0.000 0.767 158 G HN 0.273 nan 8.290 nan 0.000 0.550 159 F N 0.980 120.935 119.950 0.009 0.000 2.134 159 F HA 0.025 4.552 4.527 0.000 0.000 0.299 159 F C 1.929 177.661 175.800 -0.114 0.000 1.097 159 F CA 1.165 59.096 58.000 -0.117 0.000 1.264 159 F CB -0.106 38.689 39.000 -0.342 0.000 1.001 159 F HN 0.112 nan 8.300 nan 0.000 0.479 160 F N 0.039 120.130 119.950 0.236 0.000 2.748 160 F HA 0.178 4.705 4.527 0.000 0.000 0.299 160 F C 2.223 178.054 175.800 0.052 0.000 1.154 160 F CA 0.604 58.665 58.000 0.101 0.000 1.446 160 F CB -1.041 38.074 39.000 0.191 0.000 1.112 160 F HN 0.078 nan 8.300 nan 0.000 0.584 161 A N -0.255 122.678 122.820 0.188 0.000 2.095 161 A HA 0.194 4.514 4.320 0.000 0.000 0.212 161 A C 1.070 178.719 177.584 0.109 0.000 1.162 161 A CA -0.135 51.987 52.037 0.141 0.000 0.753 161 A CB -0.508 18.570 19.000 0.130 0.000 0.840 161 A HN 0.173 nan 8.150 nan 0.000 0.468 162 L N 1.028 122.300 121.223 0.081 0.000 2.559 162 L HA -0.036 4.304 4.340 0.000 0.000 0.274 162 L C 1.209 178.233 176.870 0.256 0.000 1.205 162 L CA -0.381 54.511 54.840 0.088 0.000 0.907 162 L CB 0.489 42.537 42.059 -0.018 0.000 1.153 162 L HN 0.390 nan 8.230 nan 0.000 0.490 163 Q N 1.613 121.504 119.800 0.152 0.000 2.376 163 Q HA 0.126 4.466 4.340 0.000 0.000 0.206 163 Q C -0.116 175.994 176.000 0.183 0.000 0.921 163 Q CA 0.652 56.577 55.803 0.204 0.000 0.911 163 Q CB 0.638 29.435 28.738 0.098 0.000 1.032 163 Q HN 0.586 nan 8.270 nan 0.000 0.510 164 Q N 0.141 119.851 119.800 -0.150 0.000 2.394 164 Q HA 0.284 4.624 4.340 0.000 0.000 0.273 164 Q C -0.833 174.470 176.000 -1.162 0.000 1.089 164 Q CA -0.417 55.104 55.803 -0.470 0.000 0.812 164 Q CB 1.813 30.406 28.738 -0.241 0.000 1.353 164 Q HN 0.115 nan 8.270 nan 0.000 0.438 165 Q N 3.495 122.441 119.800 -1.423 0.000 2.262 165 Q HA 0.151 4.491 4.340 0.000 0.000 0.272 165 Q C -1.958 173.650 176.000 -0.654 0.000 1.076 165 Q CA -1.201 53.746 55.803 -1.427 0.000 0.905 165 Q CB 0.493 28.820 28.738 -0.684 0.000 1.182 165 Q HN 0.211 nan 8.270 nan 0.000 0.390 166 P HA 0.020 nan 4.420 nan 0.000 0.271 166 P C -0.685 176.534 177.300 -0.135 0.000 1.218 166 P CA 0.065 63.018 63.100 -0.245 0.000 0.780 166 P CB 1.043 32.646 31.700 -0.161 0.000 0.901 167 K N 1.287 121.642 120.400 -0.076 0.000 2.166 167 K HA 0.078 4.398 4.320 0.000 0.000 0.201 167 K C 0.671 177.279 176.600 0.013 0.000 1.052 167 K CA 0.909 57.176 56.287 -0.032 0.000 0.969 167 K CB 0.214 32.693 32.500 -0.035 0.000 0.761 167 K HN 0.375 nan 8.250 nan 0.000 0.459 168 R N 0.864 121.389 120.500 0.043 0.000 2.521 168 R HA 0.304 4.644 4.340 0.000 0.000 0.295 168 R C -1.617 174.830 176.300 0.244 0.000 1.183 168 R CA -0.359 55.817 56.100 0.126 0.000 0.957 168 R CB 2.043 32.389 30.300 0.076 0.000 1.171 168 R HN -0.146 nan 8.270 nan 0.000 0.494 169 V N 1.763 121.775 119.914 0.163 0.000 2.483 169 V HA 0.691 4.811 4.120 0.000 0.000 0.295 169 V C 0.056 175.982 176.094 -0.281 0.000 1.035 169 V CA -0.896 61.402 62.300 -0.003 0.000 0.896 169 V CB 1.794 33.608 31.823 -0.015 0.000 0.986 169 V HN 0.790 nan 8.190 nan 0.000 0.447 170 A N 5.929 128.331 122.820 -0.696 0.000 2.288 170 A HA 0.798 5.118 4.320 0.000 0.000 0.320 170 A C -0.623 176.636 177.584 -0.541 0.000 1.217 170 A CA -0.491 50.960 52.037 -0.976 0.000 0.840 170 A CB 0.426 18.418 19.000 -1.680 0.000 1.179 170 A HN 0.635 nan 8.150 nan 0.000 0.504 171 I N 3.930 124.262 120.570 -0.397 0.000 2.330 171 I HA 0.270 4.440 4.170 0.000 0.000 0.289 171 I C -0.402 175.554 176.117 -0.268 0.000 1.001 171 I CA -0.161 60.974 61.300 -0.274 0.000 1.193 171 I CB 1.037 38.930 38.000 -0.177 0.000 1.345 171 I HN 0.508 nan 8.210 nan 0.000 0.461 172 I N 5.702 126.113 120.570 -0.264 0.000 2.291 172 I HA 0.566 4.736 4.170 0.000 0.000 0.290 172 I C 0.535 176.653 176.117 0.002 0.000 1.050 172 I CA -0.087 61.109 61.300 -0.174 0.000 1.245 172 I CB 1.110 38.921 38.000 -0.315 0.000 1.405 172 I HN 0.793 nan 8.210 nan 0.000 0.478 173 G N 4.364 113.173 108.800 0.014 0.000 3.101 173 G HA2 0.195 4.155 3.960 0.000 0.000 0.672 173 G HA3 0.195 4.155 3.960 0.000 0.000 0.672 173 G C -0.460 174.462 174.900 0.035 0.000 1.331 173 G CA -0.350 44.788 45.100 0.062 0.000 0.925 173 G HN 0.792 nan 8.290 nan 0.000 0.596 174 A N 1.392 124.242 122.820 0.051 0.000 2.713 174 A HA 0.777 5.097 4.320 0.000 0.000 0.296 174 A C 1.353 178.978 177.584 0.068 0.000 1.255 174 A CA 1.073 53.131 52.037 0.036 0.000 0.955 174 A CB -0.163 18.853 19.000 0.027 0.000 1.149 174 A HN 2.031 nan 8.150 nan 0.000 0.538 175 G N -1.596 107.272 108.800 0.115 0.000 2.535 175 G HA2 0.338 4.298 3.960 0.000 0.000 0.282 175 G HA3 0.338 4.298 3.960 0.000 0.000 0.282 175 G C 0.634 175.629 174.900 0.158 0.000 1.350 175 G CA -0.328 44.885 45.100 0.187 0.000 1.039 175 G HN 0.294 nan 8.290 nan 0.000 0.509 176 Y N -0.393 119.940 120.300 0.054 0.000 1.967 176 Y HA -0.303 4.247 4.550 0.000 0.000 0.260 176 Y C 2.909 178.820 175.900 0.018 0.000 1.181 176 Y CA 2.091 60.205 58.100 0.023 0.000 1.097 176 Y CB -0.336 38.175 38.460 0.084 0.000 0.934 176 Y HN 0.251 nan 8.280 nan 0.000 0.492 177 I N -0.655 120.062 120.570 0.244 0.000 2.127 177 I HA -0.310 3.860 4.170 0.000 0.000 0.241 177 I C 2.718 178.854 176.117 0.031 0.000 1.075 177 I CA 1.511 62.889 61.300 0.130 0.000 1.334 177 I CB -1.246 36.828 38.000 0.123 0.000 1.040 177 I HN 0.376 nan 8.210 nan 0.000 0.405 178 G N 1.634 110.454 108.800 0.033 0.000 2.469 178 G HA2 -0.216 3.744 3.960 0.000 0.000 0.219 178 G HA3 -0.216 3.744 3.960 0.000 0.000 0.219 178 G C 1.603 176.474 174.900 -0.049 0.000 1.150 178 G CA 0.616 45.703 45.100 -0.022 0.000 0.763 178 G HN 0.207 nan 8.290 nan 0.000 0.561 179 I N 0.940 121.489 120.570 -0.034 0.000 2.252 179 I HA -0.060 4.110 4.170 0.000 0.000 0.245 179 I C 2.597 178.689 176.117 -0.042 0.000 1.102 179 I CA 1.023 62.288 61.300 -0.058 0.000 1.385 179 I CB -1.183 36.755 38.000 -0.103 0.000 1.064 179 I HN 0.345 nan 8.210 nan 0.000 0.414 180 E N 0.780 120.973 120.200 -0.010 0.000 2.051 180 E HA -0.171 4.179 4.350 0.000 0.000 0.192 180 E C 2.436 179.015 176.600 -0.036 0.000 0.991 180 E CA 0.989 57.413 56.400 0.039 0.000 0.799 180 E CB -0.104 29.663 29.700 0.111 0.000 0.748 180 E HN 0.395 nan 8.360 nan 0.000 0.449 181 L N 0.674 121.807 121.223 -0.150 0.000 2.017 181 L HA -0.201 4.139 4.340 0.000 0.000 0.208 181 L C 2.682 179.440 176.870 -0.186 0.000 1.073 181 L CA 1.028 55.665 54.840 -0.339 0.000 0.745 181 L CB -0.653 41.089 42.059 -0.528 0.000 0.894 181 L HN 0.161 nan 8.230 nan 0.000 0.432 182 A N 0.489 123.234 122.820 -0.126 0.000 1.917 182 A HA -0.207 4.113 4.320 0.000 0.000 0.219 182 A C 2.370 179.911 177.584 -0.071 0.000 1.182 182 A CA 2.116 54.102 52.037 -0.085 0.000 0.633 182 A CB -1.301 17.652 19.000 -0.079 0.000 0.819 182 A HN 0.485 nan 8.150 nan 0.000 0.448 183 G N -0.753 108.008 108.800 -0.066 0.000 2.421 183 G HA2 -0.020 3.940 3.960 0.000 0.000 0.217 183 G HA3 -0.020 3.940 3.960 0.000 0.000 0.217 183 G C 1.548 176.359 174.900 -0.148 0.000 1.143 183 G CA 0.812 45.870 45.100 -0.070 0.000 0.784 183 G HN 0.425 nan 8.290 nan 0.000 0.541 184 L N -0.225 120.909 121.223 -0.147 0.000 1.976 184 L HA -0.060 4.280 4.340 0.000 0.000 0.209 184 L C 2.785 179.388 176.870 -0.445 0.000 1.071 184 L CA 0.468 55.110 54.840 -0.330 0.000 0.746 184 L CB -0.496 41.546 42.059 -0.029 0.000 0.890 184 L HN 0.110 nan 8.230 nan 0.000 0.432 185 L N -0.088 121.116 121.223 -0.031 0.000 2.012 185 L HA -0.216 4.124 4.340 0.000 0.000 0.210 185 L C 2.736 179.643 176.870 0.062 0.000 1.073 185 L CA 1.681 56.621 54.840 0.167 0.000 0.748 185 L CB -1.150 41.019 42.059 0.183 0.000 0.891 185 L HN 0.223 nan 8.230 nan 0.000 0.431 186 R N 0.172 120.654 120.500 -0.029 0.000 2.081 186 R HA -0.120 4.220 4.340 0.000 0.000 0.235 186 R C 2.464 178.738 176.300 -0.043 0.000 1.131 186 R CA 1.796 57.880 56.100 -0.027 0.000 0.960 186 R CB -0.627 29.644 30.300 -0.049 0.000 0.856 186 R HN 0.528 nan 8.270 nan 0.000 0.436 187 S N -0.898 114.715 115.700 -0.145 0.000 2.474 187 S HA -0.053 4.417 4.470 0.000 0.000 0.235 187 S C 1.714 176.317 174.600 0.004 0.000 0.997 187 S CA 0.687 58.807 58.200 -0.134 0.000 0.949 187 S CB -0.524 62.540 63.200 -0.227 0.000 0.766 187 S HN 0.402 nan 8.310 nan 0.000 0.517 188 F N 1.766 121.767 119.950 0.085 0.000 2.797 188 F HA 0.329 4.856 4.527 0.000 0.000 0.302 188 F C 2.042 177.894 175.800 0.087 0.000 1.130 188 F CA -0.088 57.982 58.000 0.116 0.000 1.387 188 F CB 0.018 39.152 39.000 0.222 0.000 1.107 188 F HN 0.467 nan 8.300 nan 0.000 0.577 189 G N 0.201 109.121 108.800 0.201 0.000 2.176 189 G HA2 -0.263 3.697 3.960 0.000 0.000 0.232 189 G HA3 -0.263 3.697 3.960 0.000 0.000 0.232 189 G C 0.234 175.189 174.900 0.092 0.000 0.986 189 G CA 0.017 45.188 45.100 0.117 0.000 0.643 189 G HN 0.222 nan 8.290 nan 0.000 0.522 190 S N 1.078 116.848 115.700 0.117 0.000 2.579 190 S HA 0.400 4.870 4.470 0.000 0.000 0.275 190 S C 0.390 175.022 174.600 0.053 0.000 1.345 190 S CA -0.291 57.956 58.200 0.079 0.000 1.031 190 S CB 0.936 64.196 63.200 0.099 0.000 0.892 190 S HN 0.348 nan 8.310 nan 0.000 0.529 191 E N 1.974 122.202 120.200 0.046 0.000 2.290 191 E HA 0.276 4.626 4.350 0.000 0.000 0.277 191 E C -0.290 176.351 176.600 0.068 0.000 1.035 191 E CA -0.227 56.202 56.400 0.048 0.000 0.873 191 E CB 0.836 30.565 29.700 0.048 0.000 1.029 191 E HN 0.430 nan 8.360 nan 0.000 0.419 192 V N 0.132 120.072 119.914 0.042 0.000 2.577 192 V HA 0.728 4.848 4.120 0.000 0.000 0.303 192 V C -0.194 175.906 176.094 0.010 0.000 1.042 192 V CA -0.864 61.446 62.300 0.017 0.000 0.872 192 V CB 1.730 33.543 31.823 -0.018 0.000 0.998 192 V HN 0.633 nan 8.190 nan 0.000 0.423 193 T N 2.007 116.554 114.554 -0.011 0.000 2.824 193 T HA 0.750 5.100 4.350 0.000 0.000 0.282 193 T C -0.485 174.134 174.700 -0.136 0.000 0.993 193 T CA -0.262 61.828 62.100 -0.018 0.000 0.967 193 T CB 1.449 70.384 68.868 0.112 0.000 0.960 193 T HN 2.026 nan 8.240 nan 0.000 0.441 194 V N 3.690 123.544 119.914 -0.100 0.000 2.513 194 V HA 0.889 5.009 4.120 0.000 0.000 0.299 194 V C -0.204 175.810 176.094 -0.132 0.000 1.035 194 V CA -0.645 61.571 62.300 -0.140 0.000 0.889 194 V CB 1.201 32.964 31.823 -0.100 0.000 0.988 194 V HN 1.167 nan 8.190 nan 0.000 0.440 195 V N 3.032 122.824 119.914 -0.204 0.000 2.667 195 V HA 1.068 5.188 4.120 0.000 0.000 0.308 195 V C 0.067 176.131 176.094 -0.049 0.000 1.048 195 V CA -0.098 62.081 62.300 -0.203 0.000 0.928 195 V CB 1.058 32.551 31.823 -0.551 0.000 1.004 195 V HN 1.997 nan 8.190 nan 0.000 0.444 196 A N 3.212 126.058 122.820 0.043 0.000 2.520 196 A HA 0.726 5.046 4.320 0.000 0.000 0.298 196 A C 0.075 177.718 177.584 0.098 0.000 1.051 196 A CA -0.471 51.606 52.037 0.066 0.000 0.690 196 A CB 1.837 20.860 19.000 0.040 0.000 1.281 196 A HN 1.215 nan 8.150 nan 0.000 0.402 197 L N 0.653 121.919 121.223 0.071 0.000 2.083 197 L HA -0.025 4.315 4.340 0.000 0.000 0.209 197 L C 0.949 177.797 176.870 -0.037 0.000 1.083 197 L CA 1.771 56.632 54.840 0.035 0.000 0.752 197 L CB -0.163 41.902 42.059 0.010 0.000 0.899 197 L HN 0.848 nan 8.230 nan 0.000 0.433 198 E N -0.607 119.538 120.200 -0.092 0.000 2.342 198 E HA 0.027 4.377 4.350 0.000 0.000 0.257 198 E C 0.703 177.263 176.600 -0.067 0.000 1.150 198 E CA 0.469 56.750 56.400 -0.198 0.000 0.926 198 E CB 0.349 29.836 29.700 -0.356 0.000 1.074 198 E HN 0.254 nan 8.360 nan 0.000 0.449 199 D N -0.134 120.234 120.400 -0.054 0.000 2.349 199 D HA -0.039 4.601 4.640 0.000 0.000 0.224 199 D C -0.173 176.159 176.300 0.055 0.000 1.029 199 D CA 0.159 54.170 54.000 0.018 0.000 0.879 199 D CB 0.026 40.843 40.800 0.028 0.000 0.906 199 D HN 0.327 nan 8.370 nan 0.000 0.528 200 R N -0.580 119.973 120.500 0.088 0.000 2.739 200 R HA 0.522 4.862 4.340 0.000 0.000 0.271 200 R C -0.829 175.537 176.300 0.111 0.000 1.010 200 R CA -1.022 55.139 56.100 0.102 0.000 0.897 200 R CB 0.983 31.364 30.300 0.135 0.000 1.236 200 R HN -0.095 nan 8.270 nan 0.000 0.466 201 L N 1.770 123.033 121.223 0.067 0.000 2.452 201 L HA 0.202 4.542 4.340 0.000 0.000 0.267 201 L C 0.192 177.107 176.870 0.075 0.000 1.188 201 L CA -0.832 54.037 54.840 0.049 0.000 0.821 201 L CB 0.157 42.213 42.059 -0.005 0.000 1.102 201 L HN 0.565 nan 8.230 nan 0.000 0.470 202 L N 2.273 123.541 121.223 0.076 0.000 3.713 202 L HA -0.270 4.070 4.340 0.000 0.000 0.499 202 L C 0.695 177.722 176.870 0.262 0.000 1.281 202 L CA 0.582 55.477 54.840 0.092 0.000 0.796 202 L CB -1.504 40.454 42.059 -0.168 0.000 1.535 202 L HN 0.596 nan 8.230 nan 0.000 0.851 203 F N 0.584 120.608 119.950 0.123 0.000 2.120 203 F HA -0.272 4.255 4.527 0.000 0.000 0.300 203 F C 2.141 178.020 175.800 0.131 0.000 1.095 203 F CA 2.434 60.498 58.000 0.108 0.000 1.249 203 F CB 0.112 39.164 39.000 0.086 0.000 0.995 203 F HN 0.522 nan 8.300 nan 0.000 0.480 204 Q N -0.293 119.599 119.800 0.154 0.000 2.291 204 Q HA -0.095 4.245 4.340 0.000 0.000 0.206 204 Q C 0.535 176.466 176.000 -0.115 0.000 0.976 204 Q CA 0.797 56.587 55.803 -0.023 0.000 0.875 204 Q CB -0.694 28.099 28.738 0.092 0.000 0.927 204 Q HN 0.314 nan 8.270 nan 0.000 0.450 205 F N 1.020 120.921 119.950 -0.082 0.000 2.362 205 F HA 0.133 4.660 4.527 0.000 0.000 0.311 205 F C 1.126 176.844 175.800 -0.136 0.000 1.161 205 F CA -1.216 56.736 58.000 -0.079 0.000 1.085 205 F CB 0.337 39.292 39.000 -0.075 0.000 1.311 205 F HN -0.159 nan 8.300 nan 0.000 0.524 206 D N 1.748 122.150 120.400 0.004 0.000 2.425 206 D HA 0.059 4.699 4.640 0.000 0.000 0.247 206 D C -1.806 174.448 176.300 -0.077 0.000 1.147 206 D CA -1.291 52.608 54.000 -0.169 0.000 0.879 206 D CB 1.542 42.058 40.800 -0.473 0.000 1.179 206 D HN 0.112 nan 8.370 nan 0.000 0.456 207 P HA -0.191 nan 4.420 nan 0.000 0.218 207 P C 1.564 178.844 177.300 -0.034 0.000 1.152 207 P CA 0.588 63.664 63.100 -0.041 0.000 0.857 207 P CB 0.183 31.855 31.700 -0.047 0.000 0.787 208 L N -1.550 119.642 121.223 -0.052 0.000 2.093 208 L HA -0.144 4.197 4.340 0.000 0.000 0.208 208 L C 1.964 178.819 176.870 -0.026 0.000 1.085 208 L CA 1.805 56.624 54.840 -0.036 0.000 0.755 208 L CB -1.010 41.028 42.059 -0.037 0.000 0.904 208 L HN -0.013 nan 8.230 nan 0.000 0.435 209 L N -0.172 121.040 121.223 -0.018 0.000 2.005 209 L HA -0.153 4.187 4.340 0.000 0.000 0.207 209 L C 2.759 179.606 176.870 -0.038 0.000 1.072 209 L CA 1.643 56.475 54.840 -0.014 0.000 0.744 209 L CB -1.033 41.048 42.059 0.037 0.000 0.895 209 L HN 0.143 nan 8.230 nan 0.000 0.433 210 S N -0.543 115.147 115.700 -0.018 0.000 2.374 210 S HA -0.260 4.210 4.470 0.000 0.000 0.227 210 S C 2.092 176.680 174.600 -0.021 0.000 1.037 210 S CA 1.350 59.541 58.200 -0.015 0.000 1.024 210 S CB -0.498 62.718 63.200 0.027 0.000 0.861 210 S HN 0.536 nan 8.310 nan 0.000 0.456 211 A N 0.861 123.669 122.820 -0.019 0.000 1.929 211 A HA -0.040 4.280 4.320 0.000 0.000 0.216 211 A C 2.323 179.887 177.584 -0.033 0.000 1.176 211 A CA 1.764 53.787 52.037 -0.023 0.000 0.628 211 A CB -1.074 17.913 19.000 -0.021 0.000 0.816 211 A HN 0.477 nan 8.150 nan 0.000 0.444 212 T N 0.209 114.740 114.554 -0.037 0.000 2.777 212 T HA -0.102 4.248 4.350 0.000 0.000 0.266 212 T C 1.849 176.519 174.700 -0.050 0.000 1.040 212 T CA 1.409 63.483 62.100 -0.045 0.000 1.141 212 T CB -0.366 68.473 68.868 -0.049 0.000 0.868 212 T HN 0.316 nan 8.240 nan 0.000 0.444 213 L N 1.662 122.851 121.223 -0.057 0.000 2.042 213 L HA 0.001 4.341 4.340 0.000 0.000 0.210 213 L C 2.585 179.428 176.870 -0.045 0.000 1.076 213 L CA 1.925 56.726 54.840 -0.064 0.000 0.749 213 L CB -1.006 40.996 42.059 -0.096 0.000 0.893 213 L HN 0.222 nan 8.230 nan 0.000 0.432 214 A N -0.752 122.046 122.820 -0.036 0.000 1.883 214 A HA -0.267 4.053 4.320 0.000 0.000 0.217 214 A C 2.188 179.769 177.584 -0.004 0.000 1.186 214 A CA 1.989 54.013 52.037 -0.021 0.000 0.624 214 A CB -0.753 18.232 19.000 -0.025 0.000 0.822 214 A HN 0.616 nan 8.150 nan 0.000 0.444 215 E N -0.280 119.908 120.200 -0.021 0.000 2.023 215 E HA -0.226 4.124 4.350 0.000 0.000 0.196 215 E C 2.002 178.603 176.600 0.002 0.000 1.003 215 E CA 1.351 57.742 56.400 -0.014 0.000 0.809 215 E CB -0.238 29.441 29.700 -0.035 0.000 0.755 215 E HN 0.566 nan 8.360 nan 0.000 0.449 216 N N 0.433 119.117 118.700 -0.028 0.000 2.061 216 N HA -0.198 4.542 4.740 0.000 0.000 0.193 216 N C 1.800 177.291 175.510 -0.031 0.000 1.030 216 N CA 1.440 54.464 53.050 -0.042 0.000 0.856 216 N CB -0.267 38.187 38.487 -0.055 0.000 1.023 216 N HN 0.186 nan 8.380 nan 0.000 0.424 217 M N -0.804 118.784 119.600 -0.020 0.000 2.175 217 M HA -0.152 4.328 4.480 0.000 0.000 0.264 217 M C 2.059 178.351 176.300 -0.013 0.000 1.063 217 M CA 1.297 56.582 55.300 -0.024 0.000 1.119 217 M CB -0.309 32.275 32.600 -0.027 0.000 1.377 217 M HN 0.269 nan 8.290 nan 0.000 0.415 218 H N 0.210 119.240 119.070 -0.066 0.000 2.326 218 H HA -0.031 4.525 4.556 0.000 0.000 0.301 218 H C 1.940 177.226 175.328 -0.070 0.000 1.081 218 H CA 2.057 58.064 56.048 -0.067 0.000 1.334 218 H CB 0.060 29.781 29.762 -0.067 0.000 1.385 218 H HN 0.320 nan 8.280 nan 0.000 0.504 219 A N 0.445 123.281 122.820 0.027 0.000 2.076 219 A HA -0.205 4.116 4.320 0.000 0.000 0.220 219 A C 2.088 179.615 177.584 -0.096 0.000 1.160 219 A CA 1.664 53.677 52.037 -0.040 0.000 0.653 219 A CB -0.529 18.451 19.000 -0.032 0.000 0.801 219 A HN 0.834 nan 8.150 nan 0.000 0.455 220 Q N -2.109 117.634 119.800 -0.095 0.000 2.280 220 Q HA 0.403 4.743 4.340 0.000 0.000 0.201 220 Q C 0.872 176.810 176.000 -0.104 0.000 0.890 220 Q CA 0.647 56.396 55.803 -0.090 0.000 0.947 220 Q CB -0.059 28.635 28.738 -0.074 0.000 1.081 220 Q HN 0.859 nan 8.270 nan 0.000 0.502 221 G N 1.358 110.062 108.800 -0.160 0.000 2.175 221 G HA2 -0.235 3.725 3.960 0.000 0.000 0.244 221 G HA3 -0.235 3.725 3.960 0.000 0.000 0.244 221 G C 0.062 174.878 174.900 -0.141 0.000 0.982 221 G CA -0.019 44.979 45.100 -0.171 0.000 0.641 221 G HN 0.394 nan 8.290 nan 0.000 0.527 222 I N 1.539 122.039 120.570 -0.118 0.000 2.533 222 I HA 0.253 4.424 4.170 0.000 0.000 0.284 222 I C 0.797 176.867 176.117 -0.080 0.000 1.109 222 I CA -0.037 61.217 61.300 -0.077 0.000 1.412 222 I CB 0.991 38.956 38.000 -0.059 0.000 1.396 222 I HN 0.225 nan 8.210 nan 0.000 0.543 223 E N 5.570 125.741 120.200 -0.048 0.000 2.249 223 E HA 0.334 4.684 4.350 0.000 0.000 0.280 223 E C -0.736 175.840 176.600 -0.041 0.000 1.016 223 E CA -0.518 55.858 56.400 -0.040 0.000 0.830 223 E CB 1.097 30.803 29.700 0.010 0.000 1.081 223 E HN 0.684 nan 8.360 nan 0.000 0.395 224 T N 1.229 115.716 114.554 -0.110 0.000 2.876 224 T HA 0.380 4.730 4.350 0.000 0.000 0.289 224 T C -0.695 173.839 174.700 -0.276 0.000 1.014 224 T CA -0.935 61.100 62.100 -0.108 0.000 0.986 224 T CB 1.207 70.041 68.868 -0.057 0.000 1.021 224 T HN 0.426 nan 8.240 nan 0.000 0.458 225 H N 2.577 121.595 119.070 -0.088 0.000 2.708 225 H HA 0.403 4.959 4.556 0.000 0.000 0.320 225 H C -0.861 174.484 175.328 0.028 0.000 0.991 225 H CA -0.719 55.304 56.048 -0.041 0.000 1.243 225 H CB 1.476 31.124 29.762 -0.189 0.000 1.446 225 H HN 0.280 nan 8.280 nan 0.000 0.502 226 L N 2.082 123.384 121.223 0.131 0.000 2.379 226 L HA 0.101 4.441 4.340 0.000 0.000 0.269 226 L C 0.986 177.949 176.870 0.154 0.000 1.084 226 L CA -0.106 54.800 54.840 0.110 0.000 0.802 226 L CB 0.278 42.368 42.059 0.052 0.000 1.175 226 L HN 0.704 nan 8.230 nan 0.000 0.448 227 E N 1.539 121.805 120.200 0.110 0.000 2.230 227 E HA -0.315 4.035 4.350 0.000 0.000 0.206 227 E C -0.909 175.779 176.600 0.148 0.000 1.309 227 E CA 0.505 56.957 56.400 0.087 0.000 0.697 227 E CB -1.304 28.422 29.700 0.043 0.000 1.146 227 E HN 0.338 nan 8.360 nan 0.000 0.363 228 F N 0.553 120.517 119.950 0.023 0.000 2.500 228 F HA 0.501 5.028 4.527 0.000 0.000 0.349 228 F C -0.278 175.534 175.800 0.020 0.000 1.127 228 F CA -0.542 57.475 58.000 0.028 0.000 0.998 228 F CB 0.978 40.007 39.000 0.049 0.000 1.237 228 F HN 0.102 nan 8.300 nan 0.000 0.439 229 A N 6.320 129.111 122.820 -0.049 0.000 2.280 229 A HA 0.509 4.829 4.320 0.000 0.000 0.320 229 A C -0.759 176.825 177.584 -0.000 0.000 1.366 229 A CA -0.599 51.458 52.037 0.034 0.000 0.938 229 A CB 0.575 19.569 19.000 -0.011 0.000 1.157 229 A HN 0.710 nan 8.150 nan 0.000 0.536 230 V N 3.524 123.562 119.914 0.207 0.000 2.529 230 V HA 0.356 4.476 4.120 0.000 0.000 0.292 230 V C 1.022 177.215 176.094 0.166 0.000 1.028 230 V CA 0.983 63.416 62.300 0.222 0.000 1.074 230 V CB 0.885 32.877 31.823 0.280 0.000 0.958 230 V HN 1.082 nan 8.190 nan 0.000 0.481 231 A N 5.528 128.409 122.820 0.101 0.000 2.140 231 A HA 0.852 5.172 4.320 0.000 0.000 0.209 231 A C 0.872 178.524 177.584 0.113 0.000 1.181 231 A CA 0.693 52.778 52.037 0.080 0.000 0.824 231 A CB 0.099 19.113 19.000 0.023 0.000 0.879 231 A HN 1.901 nan 8.150 nan 0.000 0.480 232 A N -1.126 121.778 122.820 0.141 0.000 2.586 232 A HA 0.627 4.947 4.320 0.000 0.000 0.291 232 A C -1.818 175.858 177.584 0.152 0.000 1.062 232 A CA -0.502 51.623 52.037 0.146 0.000 0.666 232 A CB 0.347 19.402 19.000 0.091 0.000 1.281 232 A HN 0.335 nan 8.150 nan 0.000 0.421 233 L N 1.124 122.440 121.223 0.155 0.000 2.376 233 L HA 0.600 4.940 4.340 0.000 0.000 0.275 233 L C -0.352 176.574 176.870 0.094 0.000 0.987 233 L CA -0.282 54.627 54.840 0.116 0.000 0.828 233 L CB 1.891 44.022 42.059 0.120 0.000 1.249 233 L HN 0.815 nan 8.230 nan 0.000 0.409 234 E N 2.183 122.427 120.200 0.074 0.000 2.244 234 E HA 0.489 4.839 4.350 0.000 0.000 0.266 234 E C -0.923 175.707 176.600 0.049 0.000 0.914 234 E CA -1.093 55.341 56.400 0.058 0.000 0.794 234 E CB 2.785 32.513 29.700 0.047 0.000 1.210 234 E HN 0.376 nan 8.360 nan 0.000 0.414 235 R N 1.647 122.171 120.500 0.039 0.000 2.490 235 R HA 0.093 4.433 4.340 0.000 0.000 0.280 235 R C -0.702 175.609 176.300 0.018 0.000 1.077 235 R CA 0.195 56.313 56.100 0.029 0.000 1.065 235 R CB 0.381 30.696 30.300 0.025 0.000 1.003 235 R HN 0.643 nan 8.270 nan 0.000 0.470 236 D N 1.835 122.240 120.400 0.008 0.000 2.654 236 D HA 0.351 4.991 4.640 0.000 0.000 0.255 236 D C -1.156 175.136 176.300 -0.013 0.000 1.101 236 D CA -0.882 53.114 54.000 -0.006 0.000 1.116 236 D CB 0.870 41.657 40.800 -0.020 0.000 1.348 236 D HN 0.510 nan 8.370 nan 0.000 0.609 237 A N -0.120 122.687 122.820 -0.021 0.000 2.535 237 A HA 0.456 4.776 4.320 0.000 0.000 0.290 237 A C 0.690 178.256 177.584 -0.029 0.000 1.270 237 A CA 0.810 52.834 52.037 -0.022 0.000 0.937 237 A CB -1.928 17.057 19.000 -0.025 0.000 1.096 237 A HN 1.346 nan 8.150 nan 0.000 0.534 238 Q N 0.640 120.427 119.800 -0.021 0.000 2.630 238 Q HA 0.406 4.746 4.340 0.000 0.000 0.210 238 Q C 1.333 177.316 176.000 -0.029 0.000 1.400 238 Q CA 1.386 57.176 55.803 -0.023 0.000 0.668 238 Q CB -2.178 26.544 28.738 -0.027 0.000 0.781 238 Q HN 3.388 nan 8.270 nan 0.000 0.311 239 G N -0.308 108.485 108.800 -0.012 0.000 2.408 239 G HA2 0.594 4.554 3.960 0.000 0.000 0.682 239 G HA3 0.594 4.554 3.960 0.000 0.000 0.682 239 G C 0.118 175.030 174.900 0.021 0.000 1.303 239 G CA 0.508 45.609 45.100 0.000 0.000 0.966 239 G HN 2.758 nan 8.290 nan 0.000 0.560 240 T N -1.797 112.794 114.554 0.062 0.000 2.887 240 T HA 0.787 5.137 4.350 0.000 0.000 0.288 240 T C -0.055 174.729 174.700 0.140 0.000 1.021 240 T CA 0.444 62.592 62.100 0.080 0.000 1.000 240 T CB 2.164 71.075 68.868 0.071 0.000 1.034 240 T HN 1.027 nan 8.240 nan 0.000 0.467 241 T N 3.456 118.074 114.554 0.106 0.000 2.895 241 T HA 0.627 4.977 4.350 0.000 0.000 0.283 241 T C -0.700 174.082 174.700 0.137 0.000 1.014 241 T CA -0.534 61.642 62.100 0.125 0.000 1.037 241 T CB 0.925 69.826 68.868 0.055 0.000 1.006 241 T HN 0.480 nan 8.240 nan 0.000 0.468 242 L N 2.936 124.266 121.223 0.178 0.000 2.289 242 L HA 0.532 4.872 4.340 0.000 0.000 0.285 242 L C -0.484 176.500 176.870 0.189 0.000 1.049 242 L CA -0.314 54.615 54.840 0.149 0.000 0.804 242 L CB 1.589 43.711 42.059 0.106 0.000 1.195 242 L HN 0.370 nan 8.230 nan 0.000 0.428 243 V N 3.675 123.680 119.914 0.151 0.000 2.350 243 V HA 0.669 4.789 4.120 0.000 0.000 0.285 243 V C 0.441 176.546 176.094 0.020 0.000 1.014 243 V CA -0.873 61.478 62.300 0.086 0.000 0.831 243 V CB 1.241 33.096 31.823 0.053 0.000 1.000 243 V HN 0.894 nan 8.190 nan 0.000 0.433 244 A N 4.062 126.788 122.820 -0.155 0.000 2.346 244 A HA 0.333 4.653 4.320 0.000 0.000 0.252 244 A C 1.246 178.699 177.584 -0.218 0.000 1.089 244 A CA 0.031 51.807 52.037 -0.436 0.000 0.797 244 A CB 0.343 18.743 19.000 -1.000 0.000 1.047 244 A HN 0.960 nan 8.150 nan 0.000 0.494 245 Q N 0.146 119.831 119.800 -0.192 0.000 2.369 245 Q HA -0.147 4.193 4.340 0.000 0.000 0.206 245 Q C 0.471 176.411 176.000 -0.100 0.000 0.963 245 Q CA 1.419 57.160 55.803 -0.104 0.000 0.894 245 Q CB -0.287 28.410 28.738 -0.069 0.000 0.965 245 Q HN 0.828 nan 8.270 nan 0.000 0.475 246 D N 0.290 120.605 120.400 -0.140 0.000 2.277 246 D HA 0.011 4.651 4.640 0.000 0.000 0.208 246 D C 1.350 177.602 176.300 -0.081 0.000 0.962 246 D CA 1.274 55.213 54.000 -0.101 0.000 0.865 246 D CB 0.043 40.779 40.800 -0.106 0.000 0.939 246 D HN 0.431 nan 8.370 nan 0.000 0.510 247 G N -1.051 107.692 108.800 -0.096 0.000 2.296 247 G HA2 -0.202 3.758 3.960 0.000 0.000 0.188 247 G HA3 -0.202 3.758 3.960 0.000 0.000 0.188 247 G C 0.360 175.231 174.900 -0.048 0.000 1.000 247 G CA 0.019 45.085 45.100 -0.057 0.000 0.672 247 G HN 0.412 nan 8.290 nan 0.000 0.483 248 T N 2.291 116.798 114.554 -0.079 0.000 2.933 248 T HA 0.405 4.755 4.350 0.000 0.000 0.306 248 T C 0.517 175.239 174.700 0.036 0.000 1.045 248 T CA 0.461 62.547 62.100 -0.024 0.000 1.143 248 T CB 0.724 69.571 68.868 -0.036 0.000 1.003 248 T HN 0.444 nan 8.240 nan 0.000 0.540 249 R N 0.876 121.415 120.500 0.065 0.000 2.562 249 R HA 0.720 5.060 4.340 0.000 0.000 0.298 249 R C 0.099 176.447 176.300 0.079 0.000 0.961 249 R CA -0.639 55.508 56.100 0.078 0.000 0.881 249 R CB 1.242 31.564 30.300 0.037 0.000 1.159 249 R HN 0.521 nan 8.270 nan 0.000 0.450 253 F N 0.771 120.690 119.950 -0.052 0.000 2.422 253 F HA 0.435 4.962 4.527 0.000 0.000 0.333 253 F C 1.279 177.046 175.800 -0.055 0.000 1.095 253 F CA -0.781 57.182 58.000 -0.060 0.000 1.038 253 F CB 2.029 40.980 39.000 -0.081 0.000 1.156 253 F HN 0.378 nan 8.300 nan 0.000 0.483 254 D N 0.450 120.940 120.400 0.150 0.000 2.117 254 D HA -0.066 4.574 4.640 0.000 0.000 0.198 254 D C 0.269 176.592 176.300 0.039 0.000 0.982 254 D CA 1.386 55.417 54.000 0.052 0.000 0.828 254 D CB 0.291 41.100 40.800 0.014 0.000 0.967 254 D HN 0.381 nan 8.370 nan 0.000 0.464 255 S N -1.278 114.449 115.700 0.045 0.000 2.536 255 S HA 0.576 5.046 4.470 0.000 0.000 0.271 255 S C -1.217 173.342 174.600 -0.069 0.000 1.134 255 S CA -0.978 57.221 58.200 -0.001 0.000 0.897 255 S CB 1.869 65.062 63.200 -0.011 0.000 1.094 255 S HN -0.159 nan 8.310 nan 0.000 0.473 256 V N 3.486 123.328 119.914 -0.121 0.000 2.417 256 V HA 0.534 4.654 4.120 0.000 0.000 0.291 256 V C -0.573 175.356 176.094 -0.275 0.000 1.024 256 V CA -0.627 61.500 62.300 -0.288 0.000 0.861 256 V CB 1.238 32.855 31.823 -0.342 0.000 0.985 256 V HN 0.886 nan 8.190 nan 0.000 0.436 257 I N 3.816 124.207 120.570 -0.299 0.000 2.355 257 I HA 0.337 4.507 4.170 0.000 0.000 0.288 257 I C -0.668 175.328 176.117 -0.201 0.000 0.999 257 I CA -0.335 60.867 61.300 -0.164 0.000 1.163 257 I CB 1.272 39.232 38.000 -0.068 0.000 1.316 257 I HN 0.587 nan 8.210 nan 0.000 0.454 258 W N 5.636 126.932 121.300 -0.007 0.000 2.303 258 W HA 0.433 5.093 4.660 0.000 0.000 0.318 258 W C 0.522 177.047 176.519 0.010 0.000 1.362 258 W CA -0.306 57.040 57.345 0.002 0.000 1.234 258 W CB 0.796 30.268 29.460 0.019 0.000 1.248 258 W HN 0.555 nan 8.180 nan 0.000 0.546 259 A N 3.422 126.390 122.820 0.247 0.000 3.308 259 A HA 0.375 4.695 4.320 0.000 0.000 0.275 259 A C 0.010 177.698 177.584 0.173 0.000 0.950 259 A CA -0.427 51.709 52.037 0.165 0.000 0.987 259 A CB -0.257 18.792 19.000 0.082 0.000 1.146 259 A HN 0.730 nan 8.150 nan 0.000 0.488 260 V N -2.175 117.865 119.914 0.209 0.000 3.099 260 V HA 0.664 4.784 4.120 0.000 0.000 0.356 260 V C 0.562 176.723 176.094 0.113 0.000 1.364 260 V CA 0.201 62.606 62.300 0.175 0.000 1.229 260 V CB -0.901 31.055 31.823 0.223 0.000 1.227 260 V HN 1.861 nan 8.190 nan 0.000 0.493 261 G N 0.686 109.550 108.800 0.108 0.000 2.479 261 G HA2 0.040 4.000 3.960 0.000 0.000 0.686 261 G HA3 0.040 4.000 3.960 0.000 0.000 0.686 261 G C -0.852 174.087 174.900 0.066 0.000 1.295 261 G CA -0.834 44.315 45.100 0.082 0.000 0.922 261 G HN 0.576 nan 8.290 nan 0.000 0.582 262 R N -0.507 120.024 120.500 0.050 0.000 2.686 262 R HA 0.770 5.110 4.340 0.000 0.000 0.286 262 R C 0.058 176.375 176.300 0.029 0.000 0.969 262 R CA -0.180 55.946 56.100 0.042 0.000 0.898 262 R CB 2.174 32.500 30.300 0.042 0.000 1.183 262 R HN 1.254 nan 8.270 nan 0.000 0.456 263 A N 3.541 126.376 122.820 0.024 0.000 2.317 263 A HA 0.586 4.906 4.320 0.000 0.000 0.327 263 A C -2.371 175.227 177.584 0.023 0.000 1.178 263 A CA -1.939 50.109 52.037 0.018 0.000 0.817 263 A CB 0.646 19.651 19.000 0.010 0.000 1.189 263 A HN 0.410 nan 8.150 nan 0.000 0.489 264 P HA 0.072 nan 4.420 nan 0.000 0.271 264 P C -0.786 176.534 177.300 0.034 0.000 1.216 264 P CA -0.298 62.817 63.100 0.026 0.000 0.771 264 P CB 0.534 32.247 31.700 0.022 0.000 0.864 265 N N 2.314 121.038 118.700 0.039 0.000 2.971 265 N HA 0.059 4.799 4.740 0.000 0.000 0.294 265 N C 0.675 176.224 175.510 0.065 0.000 1.210 265 N CA 0.311 53.394 53.050 0.055 0.000 1.157 265 N CB -0.481 38.038 38.487 0.054 0.000 1.450 265 N HN 0.487 nan 8.380 nan 0.000 0.527 266 T N -3.378 111.214 114.554 0.064 0.000 3.209 266 T HA 0.255 4.605 4.350 0.000 0.000 0.295 266 T C 1.346 176.089 174.700 0.072 0.000 0.977 266 T CA -0.378 61.764 62.100 0.070 0.000 0.922 266 T CB 0.440 69.338 68.868 0.049 0.000 1.152 266 T HN 0.099 nan 8.240 nan 0.000 0.527 267 R N 1.315 121.858 120.500 0.071 0.000 2.093 267 R HA 0.124 4.464 4.340 0.000 0.000 0.224 267 R C 0.674 177.015 176.300 0.068 0.000 1.101 267 R CA 1.307 57.440 56.100 0.055 0.000 0.979 267 R CB -0.018 30.304 30.300 0.037 0.000 0.877 267 R HN 0.230 nan 8.270 nan 0.000 0.441 268 D N -0.111 120.353 120.400 0.106 0.000 3.068 268 D HA 0.070 4.710 4.640 0.000 0.000 0.327 268 D C -0.198 176.246 176.300 0.240 0.000 1.361 268 D CA -0.087 53.979 54.000 0.109 0.000 0.877 268 D CB 0.524 41.326 40.800 0.004 0.000 1.088 268 D HN -0.045 nan 8.370 nan 0.000 0.489 269 L N -0.125 121.217 121.223 0.198 0.000 2.858 269 L HA 0.431 4.771 4.340 0.000 0.000 0.251 269 L C 1.505 178.533 176.870 0.264 0.000 1.149 269 L CA 0.857 55.831 54.840 0.225 0.000 0.955 269 L CB 0.209 42.380 42.059 0.187 0.000 1.289 269 L HN 0.292 nan 8.230 nan 0.000 0.542 270 G N -0.019 108.896 108.800 0.191 0.000 2.153 270 G HA2 -0.322 3.638 3.960 0.000 0.000 0.252 270 G HA3 -0.322 3.638 3.960 0.000 0.000 0.252 270 G C 1.046 176.027 174.900 0.135 0.000 0.994 270 G CA 0.699 45.907 45.100 0.178 0.000 0.698 270 G HN 0.394 nan 8.290 nan 0.000 0.521 271 L N -0.597 120.668 121.223 0.070 0.000 2.079 271 L HA -0.104 4.236 4.340 0.000 0.000 0.210 271 L C 2.828 179.635 176.870 -0.105 0.000 1.081 271 L CA 2.108 56.890 54.840 -0.096 0.000 0.752 271 L CB -0.457 41.562 42.059 -0.067 0.000 0.896 271 L HN 0.351 nan 8.230 nan 0.000 0.433 272 E N 0.845 121.022 120.200 -0.039 0.000 2.049 272 E HA -0.257 4.093 4.350 0.000 0.000 0.198 272 E C 2.283 178.857 176.600 -0.044 0.000 1.007 272 E CA 1.642 58.021 56.400 -0.036 0.000 0.809 272 E CB -0.550 29.144 29.700 -0.011 0.000 0.749 272 E HN 0.487 nan 8.360 nan 0.000 0.450 273 A N 0.725 123.534 122.820 -0.018 0.000 1.972 273 A HA 0.021 4.341 4.320 0.000 0.000 0.219 273 A C 2.278 179.835 177.584 -0.046 0.000 1.169 273 A CA 1.731 53.762 52.037 -0.010 0.000 0.635 273 A CB -0.609 18.414 19.000 0.037 0.000 0.810 273 A HN 0.281 nan 8.150 nan 0.000 0.446 274 A N -1.955 120.801 122.820 -0.107 0.000 2.178 274 A HA 0.417 4.737 4.320 0.000 0.000 0.211 274 A C 1.769 179.233 177.584 -0.201 0.000 1.157 274 A CA 1.179 53.097 52.037 -0.198 0.000 0.780 274 A CB -0.789 17.915 19.000 -0.494 0.000 0.828 274 A HN 1.873 nan 8.150 nan 0.000 0.476 275 G N -0.633 108.072 108.800 -0.160 0.000 2.147 275 G HA2 -0.224 3.736 3.960 0.000 0.000 0.244 275 G HA3 -0.224 3.736 3.960 0.000 0.000 0.244 275 G C 0.005 174.814 174.900 -0.152 0.000 1.005 275 G CA 0.276 45.299 45.100 -0.128 0.000 0.713 275 G HN 0.472 nan 8.290 nan 0.000 0.515 276 I N 1.329 121.774 120.570 -0.208 0.000 2.396 276 I HA 0.209 4.379 4.170 0.000 0.000 0.289 276 I C 0.729 176.767 176.117 -0.131 0.000 1.056 276 I CA -0.657 60.519 61.300 -0.207 0.000 1.365 276 I CB 0.759 38.568 38.000 -0.318 0.000 1.407 276 I HN 0.031 nan 8.210 nan 0.000 0.509 277 E N 5.988 126.129 120.200 -0.099 0.000 2.465 277 E HA 0.144 4.495 4.350 0.000 0.000 0.260 277 E C -0.701 175.864 176.600 -0.057 0.000 0.980 277 E CA 0.188 56.547 56.400 -0.067 0.000 0.927 277 E CB 1.089 30.756 29.700 -0.054 0.000 0.934 277 E HN 0.286 nan 8.360 nan 0.000 0.459 278 V N 2.665 122.553 119.914 -0.043 0.000 2.789 278 V HA 0.242 4.363 4.120 0.000 0.000 0.311 278 V C 0.089 176.170 176.094 -0.021 0.000 1.073 278 V CA -1.118 61.164 62.300 -0.029 0.000 0.921 278 V CB 1.830 33.639 31.823 -0.022 0.000 1.009 278 V HN 0.524 nan 8.190 nan 0.000 0.426 279 Q N 1.140 120.930 119.800 -0.016 0.000 2.317 279 Q HA 0.277 4.617 4.340 0.000 0.000 0.229 279 Q C 1.317 177.311 176.000 -0.009 0.000 0.984 279 Q CA 0.153 55.948 55.803 -0.013 0.000 0.911 279 Q CB 0.988 29.719 28.738 -0.012 0.000 1.217 279 Q HN 0.978 nan 8.270 nan 0.000 0.501 280 S N 0.456 116.152 115.700 -0.007 0.000 2.423 280 S HA -0.157 4.313 4.470 0.000 0.000 0.231 280 S C 1.177 175.775 174.600 -0.003 0.000 1.014 280 S CA 1.290 59.487 58.200 -0.006 0.000 0.965 280 S CB -0.285 62.911 63.200 -0.006 0.000 0.785 280 S HN 0.770 nan 8.310 nan 0.000 0.495 281 N N 1.584 120.282 118.700 -0.002 0.000 2.521 281 N HA 0.175 4.915 4.740 0.000 0.000 0.188 281 N C 1.298 176.809 175.510 0.003 0.000 1.146 281 N CA 0.850 53.901 53.050 0.001 0.000 0.893 281 N CB -0.691 37.797 38.487 0.002 0.000 0.975 281 N HN 0.647 nan 8.380 nan 0.000 0.451 282 G N -0.749 108.053 108.800 0.003 0.000 2.199 282 G HA2 -0.260 3.700 3.960 0.000 0.000 0.254 282 G HA3 -0.260 3.700 3.960 0.000 0.000 0.254 282 G C -0.011 174.894 174.900 0.008 0.000 0.982 282 G CA 0.304 45.409 45.100 0.008 0.000 0.632 282 G HN 0.233 nan 8.290 nan 0.000 0.529 283 M N 0.848 120.449 119.600 0.002 0.000 2.238 283 M HA 0.414 4.894 4.480 0.000 0.000 0.347 283 M C 0.614 176.911 176.300 -0.005 0.000 1.173 283 M CA -0.161 55.139 55.300 -0.001 0.000 1.147 283 M CB 1.076 33.671 32.600 -0.007 0.000 1.547 283 M HN -0.026 nan 8.290 nan 0.000 0.455 284 V N 5.966 125.878 119.914 -0.003 0.000 2.333 284 V HA 0.277 4.397 4.120 0.000 0.000 0.274 284 V C -2.052 174.033 176.094 -0.015 0.000 1.028 284 V CA -1.618 60.677 62.300 -0.008 0.000 0.851 284 V CB 1.114 32.940 31.823 0.004 0.000 1.000 284 V HN 0.667 nan 8.190 nan 0.000 0.456 285 P HA 0.329 nan 4.420 nan 0.000 0.271 285 P C -0.190 177.098 177.300 -0.020 0.000 1.218 285 P CA 0.118 63.201 63.100 -0.028 0.000 0.780 285 P CB 0.626 32.309 31.700 -0.029 0.000 0.901 286 T N -1.842 112.700 114.554 -0.020 0.000 2.883 286 T HA 0.565 4.915 4.350 0.000 0.000 0.296 286 T C -0.549 174.153 174.700 0.004 0.000 1.117 286 T CA -0.889 61.214 62.100 0.005 0.000 1.006 286 T CB 1.288 70.173 68.868 0.029 0.000 1.191 286 T HN 0.363 nan 8.240 nan 0.000 0.508 287 D N 0.546 120.974 120.400 0.047 0.000 2.440 287 D HA 0.452 5.092 4.640 0.000 0.000 0.269 287 D C 1.637 177.959 176.300 0.037 0.000 1.249 287 D CA -0.347 53.690 54.000 0.061 0.000 1.055 287 D CB 0.023 40.906 40.800 0.138 0.000 1.104 287 D HN 0.720 nan 8.370 nan 0.000 0.561 288 A N -1.303 121.505 122.820 -0.019 0.000 2.178 288 A HA -0.116 4.204 4.320 0.000 0.000 0.218 288 A C 1.048 178.464 177.584 -0.280 0.000 1.157 288 A CA 0.852 52.770 52.037 -0.198 0.000 0.689 288 A CB -0.960 17.821 19.000 -0.364 0.000 0.787 288 A HN 0.552 nan 8.150 nan 0.000 0.465 289 Y N -1.040 119.313 120.300 0.088 0.000 2.607 289 Y HA 0.205 4.755 4.550 0.000 0.000 0.266 289 Y C 0.705 176.684 175.900 0.132 0.000 1.178 289 Y CA -0.123 58.034 58.100 0.095 0.000 1.226 289 Y CB 0.447 38.950 38.460 0.073 0.000 1.144 289 Y HN 0.348 nan 8.280 nan 0.000 0.528 290 Q N -1.584 118.353 119.800 0.228 0.000 2.374 290 Q HA -0.224 4.116 4.340 0.000 0.000 0.218 290 Q C -1.012 175.152 176.000 0.275 0.000 0.691 290 Q CA 0.542 56.477 55.803 0.222 0.000 1.340 290 Q CB -2.206 26.663 28.738 0.217 0.000 1.498 290 Q HN 0.495 nan 8.270 nan 0.000 0.739 291 N N 2.239 121.092 118.700 0.255 0.000 2.475 291 N HA 0.121 4.861 4.740 0.000 0.000 0.267 291 N C 0.920 176.446 175.510 0.027 0.000 1.169 291 N CA 0.915 54.042 53.050 0.128 0.000 0.947 291 N CB 0.957 39.507 38.487 0.104 0.000 1.061 291 N HN 0.412 nan 8.380 nan 0.000 0.466 292 T N -0.784 113.732 114.554 -0.064 0.000 2.801 292 T HA 0.044 4.394 4.350 0.000 0.000 0.324 292 T C 1.411 176.060 174.700 -0.087 0.000 1.088 292 T CA -0.409 61.647 62.100 -0.074 0.000 0.975 292 T CB 0.328 69.129 68.868 -0.112 0.000 1.316 292 T HN 0.550 nan 8.240 nan 0.000 0.533 293 N N -0.211 118.436 118.700 -0.088 0.000 2.446 293 N HA -0.051 4.689 4.740 0.000 0.000 0.179 293 N C 0.569 176.023 175.510 -0.094 0.000 1.054 293 N CA 0.309 53.313 53.050 -0.077 0.000 0.905 293 N CB -0.444 38.003 38.487 -0.067 0.000 0.973 293 N HN 0.521 nan 8.380 nan 0.000 0.448 294 V N 2.122 121.958 119.914 -0.131 0.000 2.370 294 V HA 0.432 4.552 4.120 0.000 0.000 0.283 294 V C -2.598 173.397 176.094 -0.164 0.000 1.023 294 V CA -2.259 59.962 62.300 -0.131 0.000 0.857 294 V CB 1.468 33.207 31.823 -0.140 0.000 0.985 294 V HN -0.050 nan 8.190 nan 0.000 0.443 295 P HA 0.277 nan 4.420 nan 0.000 0.265 295 P C 0.854 178.071 177.300 -0.139 0.000 1.193 295 P CA 1.443 64.467 63.100 -0.127 0.000 0.765 295 P CB 1.091 32.758 31.700 -0.055 0.000 0.823 296 G N 1.161 109.836 108.800 -0.210 0.000 2.175 296 G HA2 -0.173 3.787 3.960 0.000 0.000 0.244 296 G HA3 -0.173 3.787 3.960 0.000 0.000 0.244 296 G C -0.211 174.571 174.900 -0.197 0.000 0.982 296 G CA -0.028 45.015 45.100 -0.094 0.000 0.641 296 G HN 0.571 nan 8.290 nan 0.000 0.527 297 V N 0.639 120.229 119.914 -0.539 0.000 2.588 297 V HA 0.790 4.910 4.120 0.000 0.000 0.304 297 V C -0.499 175.252 176.094 -0.572 0.000 1.042 297 V CA -0.991 61.114 62.300 -0.325 0.000 0.877 297 V CB 1.448 33.186 31.823 -0.141 0.000 0.996 297 V HN 0.303 nan 8.190 nan 0.000 0.425 298 Y N 1.816 122.189 120.300 0.121 0.000 2.576 298 Y HA 0.880 5.430 4.550 0.000 0.000 0.346 298 Y C 0.167 176.124 175.900 0.095 0.000 1.018 298 Y CA -0.957 57.202 58.100 0.098 0.000 1.050 298 Y CB 2.335 40.858 38.460 0.105 0.000 1.280 298 Y HN 0.742 nan 8.280 nan 0.000 0.474 299 A N 1.874 124.832 122.820 0.228 0.000 2.449 299 A HA 0.928 5.248 4.320 0.000 0.000 0.302 299 A C -1.801 175.865 177.584 0.137 0.000 1.048 299 A CA -0.653 51.477 52.037 0.155 0.000 0.708 299 A CB 1.163 20.220 19.000 0.095 0.000 1.274 299 A HN 0.721 nan 8.150 nan 0.000 0.410 300 L N -0.441 120.850 121.223 0.112 0.000 2.502 300 L HA 1.040 5.380 4.340 0.000 0.000 0.253 300 L C 0.593 177.508 176.870 0.075 0.000 1.070 300 L CA -0.023 54.878 54.840 0.102 0.000 0.871 300 L CB 0.705 42.828 42.059 0.107 0.000 1.487 300 L HN 2.349 nan 8.230 nan 0.000 0.408 301 G N -0.101 108.747 108.800 0.080 0.000 2.584 301 G HA2 -0.216 3.744 3.960 0.000 0.000 0.229 301 G HA3 -0.216 3.744 3.960 0.000 0.000 0.229 301 G C 0.058 174.987 174.900 0.047 0.000 1.320 301 G CA 0.450 45.584 45.100 0.056 0.000 0.891 301 G HN 0.828 nan 8.290 nan 0.000 0.573 302 D N 0.293 120.710 120.400 0.029 0.000 2.182 302 D HA -0.115 4.525 4.640 0.000 0.000 0.201 302 D C 2.533 178.844 176.300 0.018 0.000 0.986 302 D CA 1.765 55.777 54.000 0.020 0.000 0.847 302 D CB -0.295 40.513 40.800 0.012 0.000 0.942 302 D HN 0.781 nan 8.370 nan 0.000 0.467 303 I N -0.736 119.848 120.570 0.023 0.000 2.916 303 I HA -0.100 4.070 4.170 0.000 0.000 0.267 303 I C 1.763 177.889 176.117 0.014 0.000 1.263 303 I CA 1.234 62.547 61.300 0.022 0.000 1.471 303 I CB -0.602 37.417 38.000 0.031 0.000 1.089 303 I HN -0.141 nan 8.210 nan 0.000 0.468 304 T N -2.177 112.384 114.554 0.012 0.000 3.113 304 T HA 0.300 4.650 4.350 0.000 0.000 0.256 304 T C 1.708 176.386 174.700 -0.037 0.000 1.131 304 T CA 0.444 62.538 62.100 -0.010 0.000 1.074 304 T CB -0.189 68.673 68.868 -0.010 0.000 0.944 304 T HN 0.715 nan 8.240 nan 0.000 0.516 305 G N 1.727 110.514 108.800 -0.022 0.000 2.168 305 G HA2 -0.296 3.664 3.960 0.000 0.000 0.263 305 G HA3 -0.296 3.664 3.960 0.000 0.000 0.263 305 G C 0.398 175.270 174.900 -0.047 0.000 0.977 305 G CA 0.405 45.489 45.100 -0.027 0.000 0.659 305 G HN 0.670 nan 8.290 nan 0.000 0.533 306 R N 0.189 120.648 120.500 -0.069 0.000 2.527 306 R HA 0.396 4.736 4.340 0.000 0.000 0.236 306 R C -0.213 176.094 176.300 0.011 0.000 1.257 306 R CA -0.413 55.636 56.100 -0.086 0.000 1.088 306 R CB 0.026 30.159 30.300 -0.278 0.000 1.396 306 R HN 0.216 nan 8.270 nan 0.000 0.571 307 D N 2.223 122.670 120.400 0.078 0.000 2.554 307 D HA -0.056 4.584 4.640 0.000 0.000 0.251 307 D C -0.213 176.117 176.300 0.050 0.000 1.213 307 D CA 0.741 54.787 54.000 0.075 0.000 0.900 307 D CB 0.289 41.161 40.800 0.121 0.000 1.135 307 D HN 0.085 nan 8.370 nan 0.000 0.522 308 Q N 2.804 122.598 119.800 -0.009 0.000 3.026 308 Q HA 0.202 4.542 4.340 0.000 0.000 0.258 308 Q C -0.356 175.614 176.000 -0.050 0.000 1.388 308 Q CA 0.197 55.983 55.803 -0.029 0.000 1.000 308 Q CB 0.093 28.797 28.738 -0.056 0.000 1.634 308 Q HN 0.488 nan 8.270 nan 0.000 0.571 309 L N -0.622 120.597 121.223 -0.005 0.000 2.371 309 L HA 0.333 4.673 4.340 0.000 0.000 0.262 309 L C 1.358 178.238 176.870 0.017 0.000 1.006 309 L CA -0.615 54.225 54.840 0.001 0.000 0.818 309 L CB 1.947 44.019 42.059 0.020 0.000 1.354 309 L HN 0.124 nan 8.230 nan 0.000 0.415 310 T N 1.003 115.569 114.554 0.020 0.000 2.652 310 T HA -0.069 4.281 4.350 0.000 0.000 0.267 310 T C -1.149 173.565 174.700 0.024 0.000 1.039 310 T CA 1.760 63.872 62.100 0.019 0.000 1.153 310 T CB -0.599 68.284 68.868 0.025 0.000 0.863 310 T HN 0.480 nan 8.240 nan 0.000 0.428 311 P HA 0.058 nan 4.420 nan 0.000 0.226 311 P C 1.362 178.664 177.300 0.002 0.000 1.153 311 P CA 0.425 63.540 63.100 0.024 0.000 0.777 311 P CB -0.142 31.575 31.700 0.028 0.000 0.794 312 V N 0.129 120.045 119.914 0.003 0.000 2.407 312 V HA -0.153 3.967 4.120 0.000 0.000 0.245 312 V C 2.495 178.596 176.094 0.011 0.000 1.041 312 V CA 1.994 64.285 62.300 -0.016 0.000 1.040 312 V CB -1.619 30.223 31.823 0.032 0.000 0.671 312 V HN 0.091 nan 8.190 nan 0.000 0.455 313 A N 0.283 123.123 122.820 0.033 0.000 1.877 313 A HA -0.182 4.138 4.320 0.000 0.000 0.216 313 A C 2.181 179.779 177.584 0.022 0.000 1.186 313 A CA 1.972 54.031 52.037 0.036 0.000 0.620 313 A CB -0.552 18.461 19.000 0.021 0.000 0.822 313 A HN 0.490 nan 8.150 nan 0.000 0.443 314 I N -0.255 120.325 120.570 0.016 0.000 2.099 314 I HA -0.313 3.857 4.170 0.000 0.000 0.239 314 I C 3.028 179.158 176.117 0.022 0.000 1.066 314 I CA 1.272 62.587 61.300 0.025 0.000 1.324 314 I CB -0.515 37.510 38.000 0.042 0.000 1.037 314 I HN 0.363 nan 8.210 nan 0.000 0.401 315 A N 0.780 123.599 122.820 -0.001 0.000 1.908 315 A HA -0.199 4.121 4.320 0.000 0.000 0.218 315 A C 2.555 180.126 177.584 -0.022 0.000 1.181 315 A CA 2.041 54.065 52.037 -0.021 0.000 0.627 315 A CB -0.957 18.004 19.000 -0.066 0.000 0.818 315 A HN 0.466 nan 8.150 nan 0.000 0.445 316 A N -0.506 122.299 122.820 -0.026 0.000 1.908 316 A HA 0.060 4.380 4.320 0.000 0.000 0.218 316 A C 2.441 180.049 177.584 0.040 0.000 1.181 316 A CA 2.130 54.177 52.037 0.016 0.000 0.627 316 A CB -1.460 17.592 19.000 0.086 0.000 0.818 316 A HN 0.768 nan 8.150 nan 0.000 0.445 317 G N -0.826 107.998 108.800 0.041 0.000 2.421 317 G HA2 -0.220 3.740 3.960 0.000 0.000 0.216 317 G HA3 -0.220 3.740 3.960 0.000 0.000 0.216 317 G C 1.787 176.722 174.900 0.059 0.000 1.171 317 G CA 0.906 46.033 45.100 0.045 0.000 0.775 317 G HN 0.556 nan 8.290 nan 0.000 0.543 318 R N -0.069 120.469 120.500 0.063 0.000 2.073 318 R HA 0.013 4.353 4.340 0.000 0.000 0.234 318 R C 2.848 179.208 176.300 0.101 0.000 1.134 318 R CA 1.231 57.385 56.100 0.089 0.000 0.952 318 R CB -0.260 30.085 30.300 0.075 0.000 0.850 318 R HN 0.260 nan 8.270 nan 0.000 0.433 319 R N 0.264 120.802 120.500 0.062 0.000 2.092 319 R HA -0.114 4.226 4.340 0.000 0.000 0.231 319 R C 2.255 178.578 176.300 0.038 0.000 1.119 319 R CA 0.913 57.045 56.100 0.054 0.000 0.970 319 R CB -0.378 29.939 30.300 0.028 0.000 0.864 319 R HN 0.109 nan 8.270 nan 0.000 0.440 320 L N 0.730 121.964 121.223 0.019 0.000 2.046 320 L HA -0.079 4.261 4.340 0.000 0.000 0.208 320 L C 2.197 178.997 176.870 -0.116 0.000 1.077 320 L CA 1.880 56.685 54.840 -0.059 0.000 0.747 320 L CB -0.598 41.413 42.059 -0.079 0.000 0.896 320 L HN 0.117 nan 8.230 nan 0.000 0.432 321 A N -0.915 121.925 122.820 0.033 0.000 1.930 321 A HA -0.209 4.111 4.320 0.000 0.000 0.217 321 A C 2.165 179.847 177.584 0.163 0.000 1.175 321 A CA 1.703 53.861 52.037 0.201 0.000 0.627 321 A CB -0.575 18.637 19.000 0.353 0.000 0.815 321 A HN 0.591 nan 8.150 nan 0.000 0.443 322 E N -0.807 119.481 120.200 0.146 0.000 2.077 322 E HA -0.197 4.154 4.350 0.000 0.000 0.193 322 E C 2.280 178.783 176.600 -0.161 0.000 0.989 322 E CA 1.211 57.617 56.400 0.011 0.000 0.800 322 E CB -0.143 29.625 29.700 0.114 0.000 0.746 322 E HN 0.621 nan 8.360 nan 0.000 0.452 323 R N 0.760 121.178 120.500 -0.137 0.000 2.070 323 R HA -0.119 4.221 4.340 0.000 0.000 0.233 323 R C 2.213 178.307 176.300 -0.343 0.000 1.137 323 R CA 1.195 57.184 56.100 -0.184 0.000 0.945 323 R CB -0.124 30.108 30.300 -0.114 0.000 0.845 323 R HN 0.147 nan 8.270 nan 0.000 0.430 324 L N -0.890 119.989 121.223 -0.574 0.000 2.179 324 L HA -0.004 4.336 4.340 0.000 0.000 0.208 324 L C 1.127 177.366 176.870 -1.052 0.000 1.096 324 L CA 0.966 55.185 54.840 -1.034 0.000 0.779 324 L CB 0.047 41.040 42.059 -1.778 0.000 0.922 324 L HN 0.217 nan 8.230 nan 0.000 0.443 325 F N -2.223 117.547 119.950 -0.301 0.000 2.729 325 F HA 0.169 4.696 4.527 0.000 0.000 0.315 325 F C 0.596 176.072 175.800 -0.540 0.000 1.102 325 F CA -0.241 57.572 58.000 -0.311 0.000 1.204 325 F CB 0.537 39.434 39.000 -0.171 0.000 1.052 325 F HN -0.103 nan 8.300 nan 0.000 0.551 326 D N -0.454 119.661 120.400 -0.476 0.000 2.651 326 D HA 0.208 4.848 4.640 0.000 0.000 0.280 326 D C 1.418 177.550 176.300 -0.280 0.000 1.496 326 D CA 0.662 54.330 54.000 -0.553 0.000 0.792 326 D CB 0.298 40.475 40.800 -1.038 0.000 1.144 326 D HN 0.164 nan 8.370 nan 0.000 0.470 327 G N 1.324 109.998 108.800 -0.210 0.000 2.244 327 G HA2 -0.380 3.580 3.960 0.000 0.000 0.274 327 G HA3 -0.380 3.580 3.960 0.000 0.000 0.274 327 G C 0.432 175.267 174.900 -0.108 0.000 1.002 327 G CA 0.407 45.426 45.100 -0.135 0.000 0.740 327 G HN 0.467 nan 8.290 nan 0.000 0.516 328 Q N 0.627 120.355 119.800 -0.121 0.000 3.181 328 Q HA 0.349 4.689 4.340 0.000 0.000 0.293 328 Q C 1.889 177.852 176.000 -0.061 0.000 1.406 328 Q CA 0.299 56.061 55.803 -0.069 0.000 1.026 328 Q CB 0.243 28.951 28.738 -0.049 0.000 1.630 328 Q HN 0.632 nan 8.270 nan 0.000 0.553 329 S N 0.189 115.847 115.700 -0.071 0.000 2.493 329 S HA -0.139 4.331 4.470 0.000 0.000 0.243 329 S C 1.075 175.630 174.600 -0.075 0.000 0.991 329 S CA 0.881 59.025 58.200 -0.093 0.000 0.957 329 S CB 0.198 63.340 63.200 -0.096 0.000 0.756 329 S HN 0.389 nan 8.310 nan 0.000 0.521 330 E N 0.507 120.710 120.200 0.006 0.000 2.481 330 E HA 0.240 4.590 4.350 0.000 0.000 0.198 330 E C 0.137 176.870 176.600 0.220 0.000 1.027 330 E CA -0.114 56.355 56.400 0.115 0.000 0.900 330 E CB 0.057 29.811 29.700 0.090 0.000 0.993 330 E HN 0.443 nan 8.360 nan 0.000 0.482 331 R N 2.326 122.910 120.500 0.140 0.000 2.442 331 R HA 0.135 4.475 4.340 0.000 0.000 0.291 331 R C 0.550 176.949 176.300 0.166 0.000 1.069 331 R CA 0.457 56.627 56.100 0.118 0.000 1.022 331 R CB 0.481 30.817 30.300 0.059 0.000 0.976 331 R HN 0.102 nan 8.270 nan 0.000 0.443 332 K N 1.029 121.469 120.400 0.066 0.000 2.579 332 K HA 0.282 4.602 4.320 0.000 0.000 0.284 332 K C -1.396 175.169 176.600 -0.058 0.000 0.990 332 K CA -1.036 55.241 56.287 -0.018 0.000 0.880 332 K CB 0.909 33.261 32.500 -0.246 0.000 1.488 332 K HN 0.200 nan 8.250 nan 0.000 0.425 333 L N 1.733 122.902 121.223 -0.091 0.000 2.349 333 L HA 0.292 4.633 4.340 0.000 0.000 0.275 333 L C -0.517 176.223 176.870 -0.217 0.000 1.115 333 L CA 0.336 55.044 54.840 -0.221 0.000 0.820 333 L CB 0.960 42.751 42.059 -0.447 0.000 1.135 333 L HN 0.707 nan 8.230 nan 0.000 0.445 334 D N 3.232 123.518 120.400 -0.189 0.000 2.317 334 D HA 0.029 4.669 4.640 0.000 0.000 0.252 334 D C -0.127 176.071 176.300 -0.171 0.000 1.174 334 D CA 0.210 54.151 54.000 -0.098 0.000 0.866 334 D CB 0.633 41.399 40.800 -0.056 0.000 1.127 334 D HN 0.554 nan 8.370 nan 0.000 0.467 335 Y N 1.273 121.553 120.300 -0.034 0.000 2.457 335 Y HA 0.092 4.642 4.550 0.000 0.000 0.263 335 Y C 0.250 176.138 175.900 -0.020 0.000 1.164 335 Y CA -0.407 57.678 58.100 -0.025 0.000 1.274 335 Y CB 0.464 38.906 38.460 -0.029 0.000 1.097 335 Y HN 0.233 nan 8.280 nan 0.000 0.523 336 D N 0.891 121.344 120.400 0.088 0.000 2.350 336 D HA 0.038 4.679 4.640 0.000 0.000 0.249 336 D C 0.137 176.452 176.300 0.025 0.000 1.119 336 D CA 0.195 54.224 54.000 0.049 0.000 0.886 336 D CB 0.312 41.132 40.800 0.032 0.000 1.195 336 D HN 0.142 nan 8.370 nan 0.000 0.437 337 N N 1.128 119.841 118.700 0.021 0.000 2.738 337 N HA -0.157 4.583 4.740 0.000 0.000 0.249 337 N C -0.502 175.012 175.510 0.007 0.000 1.047 337 N CA 0.343 53.399 53.050 0.010 0.000 0.707 337 N CB -0.886 37.610 38.487 0.015 0.000 0.937 337 N HN 0.418 nan 8.380 nan 0.000 0.545 338 I N 1.443 122.019 120.570 0.011 0.000 2.505 338 I HA 0.142 4.312 4.170 0.000 0.000 0.287 338 I C -1.272 174.855 176.117 0.017 0.000 1.104 338 I CA -1.426 59.879 61.300 0.010 0.000 1.387 338 I CB -0.297 37.717 38.000 0.023 0.000 1.404 338 I HN -0.020 nan 8.210 nan 0.000 0.528 339 P HA 0.244 nan 4.420 nan 0.000 0.277 339 P C -0.263 177.068 177.300 0.051 0.000 1.240 339 P CA -0.159 62.957 63.100 0.027 0.000 0.798 339 P CB 1.689 33.408 31.700 0.031 0.000 0.979 340 T N 0.092 114.685 114.554 0.066 0.000 2.894 340 T HA 0.460 4.810 4.350 0.000 0.000 0.309 340 T C -1.490 173.237 174.700 0.045 0.000 1.208 340 T CA -0.490 61.681 62.100 0.119 0.000 1.016 340 T CB 1.091 70.115 68.868 0.260 0.000 1.192 340 T HN 0.086 nan 8.240 nan 0.000 0.491 341 V N 3.422 123.305 119.914 -0.052 0.000 2.604 341 V HA 0.636 4.756 4.120 0.000 0.000 0.305 341 V C -0.367 175.469 176.094 -0.429 0.000 1.043 341 V CA -0.700 61.377 62.300 -0.371 0.000 0.888 341 V CB 2.031 33.378 31.823 -0.793 0.000 0.995 341 V HN 0.779 nan 8.190 nan 0.000 0.429 342 V N 4.749 124.347 119.914 -0.527 0.000 2.370 342 V HA 0.382 4.502 4.120 0.000 0.000 0.283 342 V C -0.286 175.491 176.094 -0.529 0.000 1.023 342 V CA -0.288 61.708 62.300 -0.507 0.000 0.857 342 V CB 1.244 32.636 31.823 -0.717 0.000 0.985 342 V HN 0.749 nan 8.190 nan 0.000 0.443 343 F N 3.884 123.696 119.950 -0.230 0.000 2.733 343 F HA 0.502 5.029 4.527 0.000 0.000 0.344 343 F C 1.244 177.038 175.800 -0.011 0.000 1.179 343 F CA -0.113 57.671 58.000 -0.360 0.000 1.316 343 F CB -0.241 38.331 39.000 -0.713 0.000 1.577 343 F HN 0.587 nan 8.300 nan 0.000 0.591 344 A N -0.391 122.487 122.820 0.097 0.000 2.262 344 A HA 0.548 4.868 4.320 0.000 0.000 0.273 344 A C 0.210 177.998 177.584 0.340 0.000 1.202 344 A CA 0.372 52.500 52.037 0.151 0.000 0.811 344 A CB -0.330 18.665 19.000 -0.008 0.000 1.159 344 A HN 0.665 nan 8.150 nan 0.000 0.505 345 H N 0.398 119.570 119.070 0.170 0.000 2.792 345 H HA 0.651 5.207 4.556 0.000 0.000 0.298 345 H C -2.838 172.525 175.328 0.058 0.000 1.042 345 H CA -1.684 54.437 56.048 0.123 0.000 1.300 345 H CB 0.150 29.901 29.762 -0.018 0.000 1.431 345 H HN 0.728 nan 8.280 nan 0.000 0.496 346 P HA 0.326 nan 4.420 nan 0.000 0.276 346 P C -2.931 174.466 177.300 0.161 0.000 1.261 346 P CA -1.715 61.496 63.100 0.185 0.000 0.800 346 P CB 1.788 33.590 31.700 0.169 0.000 1.066 347 P HA 0.275 nan 4.420 nan 0.000 0.276 347 P C -0.731 176.513 177.300 -0.094 0.000 1.261 347 P CA -0.206 62.900 63.100 0.010 0.000 0.800 347 P CB 0.570 32.207 31.700 -0.106 0.000 1.066 348 L N -2.729 118.365 121.223 -0.214 0.000 2.283 348 L HA 0.951 5.291 4.340 0.000 0.000 0.259 348 L C -0.231 176.520 176.870 -0.198 0.000 1.027 348 L CA -0.837 53.896 54.840 -0.178 0.000 0.828 348 L CB 1.678 43.621 42.059 -0.194 0.000 1.380 348 L HN 0.327 nan 8.230 nan 0.000 0.425 349 S N -0.390 115.262 115.700 -0.080 0.000 2.537 349 S HA 0.836 5.306 4.470 0.000 0.000 0.271 349 S C -1.688 172.932 174.600 0.033 0.000 1.148 349 S CA -0.636 57.538 58.200 -0.044 0.000 0.868 349 S CB 1.487 64.640 63.200 -0.079 0.000 1.115 349 S HN 1.007 nan 8.310 nan 0.000 0.461 350 K N 0.289 120.714 120.400 0.042 0.000 2.556 350 K HA 0.837 5.157 4.320 0.000 0.000 0.274 350 K C -1.867 174.677 176.600 -0.093 0.000 0.966 350 K CA -0.851 55.397 56.287 -0.064 0.000 0.865 350 K CB 1.601 34.125 32.500 0.040 0.000 1.444 350 K HN 0.522 nan 8.250 nan 0.000 0.433 351 V N 1.189 120.988 119.914 -0.192 0.000 2.733 351 V HA 0.829 4.949 4.120 0.000 0.000 0.306 351 V C 0.036 176.038 176.094 -0.153 0.000 1.084 351 V CA 0.950 63.185 62.300 -0.108 0.000 0.905 351 V CB 0.785 32.594 31.823 -0.023 0.000 1.010 351 V HN 1.481 nan 8.190 nan 0.000 0.424 352 G N 5.243 113.995 108.800 -0.080 0.000 2.508 352 G HA2 -0.119 3.841 3.960 0.000 0.000 0.220 352 G HA3 -0.119 3.841 3.960 0.000 0.000 0.220 352 G C -0.894 173.999 174.900 -0.012 0.000 1.287 352 G CA -0.205 44.869 45.100 -0.043 0.000 0.916 352 G HN 1.204 nan 8.290 nan 0.000 0.574 353 L N 1.353 122.601 121.223 0.042 0.000 2.325 353 L HA 0.574 4.914 4.340 0.000 0.000 0.279 353 L C 1.474 178.471 176.870 0.212 0.000 1.054 353 L CA -0.172 54.713 54.840 0.075 0.000 0.804 353 L CB 1.639 43.718 42.059 0.032 0.000 1.200 353 L HN 0.995 nan 8.230 nan 0.000 0.436 354 S N 0.580 116.329 115.700 0.082 0.000 2.608 354 S HA 0.042 4.512 4.470 0.000 0.000 0.261 354 S C 0.901 175.433 174.600 -0.113 0.000 1.314 354 S CA -0.335 57.773 58.200 -0.152 0.000 0.992 354 S CB 1.219 64.295 63.200 -0.207 0.000 0.935 354 S HN 0.785 nan 8.310 nan 0.000 0.564 355 E N 1.064 121.159 120.200 -0.174 0.000 2.038 355 E HA -0.096 4.254 4.350 0.000 0.000 0.195 355 E C -0.857 175.693 176.600 -0.083 0.000 1.000 355 E CA 1.412 57.751 56.400 -0.102 0.000 0.803 355 E CB -1.214 28.423 29.700 -0.105 0.000 0.750 355 E HN 0.591 nan 8.360 nan 0.000 0.448 356 P HA -0.156 nan 4.420 nan 0.000 0.215 356 P C 0.645 177.898 177.300 -0.077 0.000 1.153 356 P CA 1.471 64.517 63.100 -0.090 0.000 0.853 356 P CB -0.008 31.619 31.700 -0.122 0.000 0.788 357 E N -0.513 119.636 120.200 -0.086 0.000 2.077 357 E HA -0.165 4.185 4.350 0.000 0.000 0.193 357 E C 2.116 178.693 176.600 -0.039 0.000 0.989 357 E CA 1.316 57.678 56.400 -0.063 0.000 0.800 357 E CB -0.580 29.082 29.700 -0.064 0.000 0.746 357 E HN 0.139 nan 8.360 nan 0.000 0.452 358 A N 1.151 123.952 122.820 -0.031 0.000 1.898 358 A HA -0.160 4.160 4.320 0.000 0.000 0.216 358 A C 2.058 179.631 177.584 -0.020 0.000 1.181 358 A CA 1.118 53.145 52.037 -0.016 0.000 0.620 358 A CB -0.310 18.687 19.000 -0.005 0.000 0.819 358 A HN 0.048 nan 8.150 nan 0.000 0.442 359 R N -0.821 119.663 120.500 -0.028 0.000 2.096 359 R HA -0.108 4.232 4.340 0.000 0.000 0.235 359 R C 2.186 178.473 176.300 -0.022 0.000 1.127 359 R CA 1.254 57.339 56.100 -0.025 0.000 0.968 359 R CB -0.175 30.107 30.300 -0.030 0.000 0.861 359 R HN 0.584 nan 8.270 nan 0.000 0.440 360 E N 0.677 120.861 120.200 -0.026 0.000 2.072 360 E HA -0.157 4.193 4.350 0.000 0.000 0.191 360 E C 1.819 178.409 176.600 -0.016 0.000 0.985 360 E CA 1.224 57.611 56.400 -0.021 0.000 0.801 360 E CB 0.176 29.859 29.700 -0.027 0.000 0.750 360 E HN 0.286 nan 8.360 nan 0.000 0.452 361 R N -0.619 119.871 120.500 -0.016 0.000 2.173 361 R HA 0.140 4.480 4.340 0.000 0.000 0.208 361 R C 2.058 178.354 176.300 -0.008 0.000 1.035 361 R CA 0.415 56.508 56.100 -0.011 0.000 1.004 361 R CB 0.313 30.607 30.300 -0.011 0.000 0.917 361 R HN 0.138 nan 8.270 nan 0.000 0.462 362 L N -1.182 120.036 121.223 -0.009 0.000 2.878 362 L HA 0.334 4.674 4.340 0.000 0.000 0.253 362 L C 0.777 177.643 176.870 -0.007 0.000 1.135 362 L CA 0.042 54.878 54.840 -0.006 0.000 0.943 362 L CB 0.917 42.973 42.059 -0.005 0.000 1.307 362 L HN 0.288 nan 8.230 nan 0.000 0.545 363 G N 0.891 109.685 108.800 -0.010 0.000 2.660 363 G HA2 -0.296 3.664 3.960 0.000 0.000 0.215 363 G HA3 -0.296 3.664 3.960 0.000 0.000 0.215 363 G C -0.502 174.390 174.900 -0.013 0.000 1.345 363 G CA -0.155 44.939 45.100 -0.010 0.000 0.877 363 G HN 0.171 nan 8.290 nan 0.000 0.549 364 D N 0.518 120.910 120.400 -0.013 0.000 2.767 364 D HA 0.323 4.963 4.640 0.000 0.000 0.231 364 D C 1.573 177.864 176.300 -0.015 0.000 1.105 364 D CA 0.886 54.877 54.000 -0.015 0.000 1.024 364 D CB -0.420 40.371 40.800 -0.014 0.000 1.123 364 D HN 1.364 nan 8.370 nan 0.000 0.470 365 V N -0.569 119.336 119.914 -0.015 0.000 3.276 365 V HA 0.350 4.470 4.120 0.000 0.000 0.319 365 V C 0.179 176.265 176.094 -0.013 0.000 1.476 365 V CA -0.511 61.782 62.300 -0.012 0.000 1.097 365 V CB -0.562 31.257 31.823 -0.007 0.000 0.988 365 V HN 0.065 nan 8.190 nan 0.000 0.473 366 L N 1.654 122.865 121.223 -0.021 0.000 2.292 366 L HA 0.608 4.948 4.340 0.000 0.000 0.284 366 L C 0.143 176.987 176.870 -0.043 0.000 1.065 366 L CA 0.072 54.898 54.840 -0.023 0.000 0.806 366 L CB 1.551 43.594 42.059 -0.026 0.000 1.175 366 L HN 0.135 nan 8.230 nan 0.000 0.431 367 T N 2.778 117.310 114.554 -0.037 0.000 2.756 367 T HA 0.475 4.825 4.350 0.000 0.000 0.290 367 T C -0.164 174.459 174.700 -0.128 0.000 0.985 367 T CA -0.419 61.618 62.100 -0.105 0.000 0.955 367 T CB 1.562 70.402 68.868 -0.048 0.000 0.930 367 T HN 0.202 nan 8.240 nan 0.000 0.451 368 V N 4.496 124.260 119.914 -0.249 0.000 2.448 368 V HA 0.465 4.585 4.120 0.000 0.000 0.295 368 V C -1.105 174.815 176.094 -0.290 0.000 1.025 368 V CA -1.021 61.189 62.300 -0.150 0.000 0.859 368 V CB 0.834 32.606 31.823 -0.085 0.000 0.988 368 V HN 0.808 nan 8.190 nan 0.000 0.431 369 Y N 2.350 122.642 120.300 -0.013 0.000 2.377 369 Y HA 0.683 5.233 4.550 0.000 0.000 0.339 369 Y C 0.358 176.266 175.900 0.014 0.000 1.011 369 Y CA -0.538 57.562 58.100 -0.000 0.000 1.093 369 Y CB 1.842 40.300 38.460 -0.004 0.000 1.201 369 Y HN 0.581 nan 8.280 nan 0.000 0.455 370 E N 0.831 121.123 120.200 0.154 0.000 2.356 370 E HA 0.558 4.908 4.350 0.000 0.000 0.275 370 E C -1.355 175.319 176.600 0.124 0.000 0.904 370 E CA -0.753 55.714 56.400 0.110 0.000 0.757 370 E CB 2.750 32.484 29.700 0.056 0.000 1.232 370 E HN 0.579 nan 8.360 nan 0.000 0.442 371 T N 0.297 114.934 114.554 0.138 0.000 2.821 371 T HA 0.543 4.893 4.350 0.000 0.000 0.306 371 T C -1.800 173.021 174.700 0.201 0.000 1.313 371 T CA -0.467 61.737 62.100 0.174 0.000 1.012 371 T CB 1.776 70.765 68.868 0.202 0.000 1.298 371 T HN 0.277 nan 8.240 nan 0.000 0.502 372 S N 1.755 117.598 115.700 0.239 0.000 2.546 372 S HA 0.878 5.348 4.470 0.000 0.000 0.272 372 S C -1.766 173.010 174.600 0.294 0.000 1.140 372 S CA -0.645 57.652 58.200 0.163 0.000 0.920 372 S CB 0.569 63.813 63.200 0.072 0.000 1.083 372 S HN 0.850 nan 8.310 nan 0.000 0.476 373 F N -0.301 119.680 119.950 0.051 0.000 2.807 373 F HA 0.613 5.140 4.527 0.000 0.000 0.316 373 F C -1.058 174.788 175.800 0.076 0.000 1.162 373 F CA -0.891 57.145 58.000 0.060 0.000 0.910 373 F CB 0.894 39.933 39.000 0.065 0.000 1.314 373 F HN 0.302 nan 8.300 nan 0.000 0.454 374 T N 3.689 118.381 114.554 0.230 0.000 2.733 374 T HA 0.504 4.854 4.350 0.000 0.000 0.294 374 T C -2.562 172.353 174.700 0.358 0.000 0.956 374 T CA -1.026 61.176 62.100 0.171 0.000 0.987 374 T CB 0.974 69.935 68.868 0.156 0.000 0.920 374 T HN 0.461 nan 8.240 nan 0.000 0.470 375 P HA 0.177 nan 4.420 nan 0.000 0.274 375 P C 0.915 178.380 177.300 0.275 0.000 1.237 375 P CA -0.584 62.754 63.100 0.397 0.000 0.793 375 P CB 0.783 32.653 31.700 0.283 0.000 0.977 376 M N 0.702 120.425 119.600 0.204 0.000 2.435 376 M HA -0.189 4.291 4.480 0.000 0.000 0.262 376 M C 1.987 178.357 176.300 0.118 0.000 1.065 376 M CA 1.373 56.761 55.300 0.147 0.000 1.076 376 M CB -0.255 32.404 32.600 0.097 0.000 1.403 376 M HN 0.200 nan 8.290 nan 0.000 0.454 377 R N 0.275 120.763 120.500 -0.020 0.000 2.170 377 R HA -0.193 4.147 4.340 0.000 0.000 0.242 377 R C 0.224 176.357 176.300 -0.279 0.000 1.145 377 R CA 1.967 57.899 56.100 -0.279 0.000 0.984 377 R CB -0.705 29.271 30.300 -0.541 0.000 0.869 377 R HN 0.517 nan 8.270 nan 0.000 0.455 378 Y N -0.931 119.503 120.300 0.224 0.000 2.681 378 Y HA 0.493 5.043 4.550 0.000 0.000 0.267 378 Y C 1.522 177.496 175.900 0.123 0.000 1.166 378 Y CA -0.102 58.121 58.100 0.204 0.000 1.209 378 Y CB -0.034 38.492 38.460 0.110 0.000 1.161 378 Y HN 0.141 nan 8.280 nan 0.000 0.534 379 A N 0.302 123.260 122.820 0.230 0.000 1.940 379 A HA -0.102 4.218 4.320 0.000 0.000 0.219 379 A C 1.583 179.080 177.584 -0.145 0.000 1.176 379 A CA 1.492 53.565 52.037 0.060 0.000 0.631 379 A CB -0.461 18.588 19.000 0.082 0.000 0.814 379 A HN 0.484 nan 8.150 nan 0.000 0.446 380 L N -0.867 120.070 121.223 -0.476 0.000 2.818 380 L HA 0.226 4.566 4.340 0.000 0.000 0.243 380 L C -0.374 176.275 176.870 -0.369 0.000 1.185 380 L CA -0.293 54.187 54.840 -0.600 0.000 0.988 380 L CB -0.646 40.789 42.059 -1.039 0.000 1.292 380 L HN 0.303 nan 8.230 nan 0.000 0.519 381 N N -0.194 118.435 118.700 -0.119 0.000 2.477 381 N HA 0.180 4.920 4.740 0.000 0.000 0.284 381 N C 0.715 176.202 175.510 -0.038 0.000 1.182 381 N CA -0.705 52.355 53.050 0.017 0.000 0.949 381 N CB 1.612 40.230 38.487 0.219 0.000 1.204 381 N HN -0.021 nan 8.380 nan 0.000 0.526 382 E N 0.374 120.540 120.200 -0.056 0.000 2.046 382 E HA -0.088 4.262 4.350 0.000 0.000 0.190 382 E C -0.116 176.223 176.600 -0.435 0.000 0.982 382 E CA 1.274 57.551 56.400 -0.204 0.000 0.800 382 E CB 0.117 29.762 29.700 -0.092 0.000 0.756 382 E HN 0.525 nan 8.360 nan 0.000 0.449 383 H N -0.622 118.433 119.070 -0.025 0.000 2.597 383 H HA 0.257 4.813 4.556 0.000 0.000 0.225 383 H C 0.086 175.330 175.328 -0.140 0.000 1.422 383 H CA -0.130 55.884 56.048 -0.057 0.000 1.335 383 H CB 0.269 30.001 29.762 -0.050 0.000 1.783 383 H HN 0.027 nan 8.280 nan 0.000 0.513 384 G N 2.445 111.169 108.800 -0.128 0.000 2.647 384 G HA2 0.075 4.035 3.960 0.000 0.000 0.234 384 G HA3 0.075 4.035 3.960 0.000 0.000 0.234 384 G C -2.028 172.588 174.900 -0.474 0.000 1.252 384 G CA -0.604 44.158 45.100 -0.563 0.000 0.846 384 G HN 0.154 nan 8.290 nan 0.000 0.589 385 P HA 0.136 nan 4.420 nan 0.000 0.269 385 P C -0.061 177.116 177.300 -0.204 0.000 1.209 385 P CA -0.202 62.708 63.100 -0.317 0.000 0.776 385 P CB 0.890 32.433 31.700 -0.262 0.000 0.876 386 K N 0.891 121.211 120.400 -0.132 0.000 2.355 386 K HA 0.218 4.538 4.320 0.000 0.000 0.270 386 K C -0.026 176.466 176.600 -0.180 0.000 1.003 386 K CA 0.142 56.353 56.287 -0.128 0.000 0.957 386 K CB 0.263 32.708 32.500 -0.091 0.000 0.939 386 K HN 0.416 nan 8.250 nan 0.000 0.482 387 T N 1.481 115.829 114.554 -0.343 0.000 2.859 387 T HA 0.619 4.969 4.350 0.000 0.000 0.281 387 T C -1.114 173.359 174.700 -0.377 0.000 1.005 387 T CA -0.692 61.135 62.100 -0.456 0.000 1.025 387 T CB 1.631 69.975 68.868 -0.874 0.000 0.977 387 T HN 0.642 nan 8.240 nan 0.000 0.458 388 A N 3.229 125.937 122.820 -0.187 0.000 2.486 388 A HA 0.885 5.205 4.320 0.000 0.000 0.300 388 A C -1.114 176.474 177.584 0.007 0.000 1.048 388 A CA -0.789 51.213 52.037 -0.059 0.000 0.696 388 A CB 1.394 20.372 19.000 -0.038 0.000 1.278 388 A HN 0.782 nan 8.150 nan 0.000 0.405 389 M N 1.289 120.931 119.600 0.070 0.000 2.484 389 M HA 0.521 5.001 4.480 0.000 0.000 0.289 389 M C -0.780 175.581 176.300 0.103 0.000 1.206 389 M CA -0.369 54.986 55.300 0.093 0.000 0.892 389 M CB 2.921 35.597 32.600 0.127 0.000 1.712 389 M HN 0.693 nan 8.290 nan 0.000 0.462 390 K N 2.777 123.249 120.400 0.121 0.000 2.535 390 K HA 0.585 4.905 4.320 0.000 0.000 0.250 390 K C -2.094 174.606 176.600 0.168 0.000 0.948 390 K CA -0.531 55.835 56.287 0.132 0.000 0.796 390 K CB 1.897 34.445 32.500 0.080 0.000 1.216 390 K HN 0.752 nan 8.250 nan 0.000 0.432 391 L N 4.832 126.143 121.223 0.146 0.000 2.272 391 L HA 0.406 4.746 4.340 0.000 0.000 0.289 391 L C -0.681 176.273 176.870 0.140 0.000 1.032 391 L CA -1.083 53.817 54.840 0.101 0.000 0.810 391 L CB 1.746 43.810 42.059 0.008 0.000 1.205 391 L HN 0.418 nan 8.230 nan 0.000 0.422 392 V N 3.292 123.272 119.914 0.109 0.000 2.350 392 V HA 0.302 4.422 4.120 0.000 0.000 0.276 392 V C -0.016 176.101 176.094 0.039 0.000 1.028 392 V CA -0.478 61.871 62.300 0.081 0.000 0.860 392 V CB 1.224 33.105 31.823 0.096 0.000 0.990 392 V HN 0.804 nan 8.190 nan 0.000 0.453 393 C N 3.988 123.319 119.300 0.051 0.000 2.493 393 C HA 0.968 5.428 4.460 0.000 0.000 0.326 393 C C 0.488 175.490 174.990 0.020 0.000 1.200 393 C CA -0.705 58.330 59.018 0.029 0.000 1.739 393 C CB 1.171 28.959 27.740 0.080 0.000 2.300 393 C HN 0.989 nan 8.230 nan 0.000 0.500 394 A N 1.697 124.522 122.820 0.008 0.000 2.414 394 A HA 0.967 5.287 4.320 0.000 0.000 0.306 394 A C -0.059 177.529 177.584 0.006 0.000 1.054 394 A CA 0.483 52.523 52.037 0.005 0.000 0.724 394 A CB 0.913 19.914 19.000 0.002 0.000 1.267 394 A HN 2.574 nan 8.150 nan 0.000 0.418 395 G N 1.981 110.784 108.800 0.005 0.000 2.757 395 G HA2 -0.020 3.940 3.960 0.000 0.000 0.638 395 G HA3 -0.020 3.940 3.960 0.000 0.000 0.638 395 G C -1.536 173.370 174.900 0.010 0.000 1.344 395 G CA -0.073 45.031 45.100 0.006 0.000 0.855 395 G HN 0.757 nan 8.290 nan 0.000 0.537 396 P HA 0.104 nan 4.420 nan 0.000 0.219 396 P C 1.584 178.894 177.300 0.018 0.000 1.150 396 P CA 2.497 65.605 63.100 0.013 0.000 0.814 396 P CB -0.179 31.527 31.700 0.010 0.000 0.787 397 E N 0.207 120.416 120.200 0.015 0.000 2.418 397 E HA -0.119 4.231 4.350 0.000 0.000 0.197 397 E C 0.926 177.535 176.600 0.014 0.000 1.026 397 E CA 0.450 56.859 56.400 0.015 0.000 0.862 397 E CB -1.111 28.597 29.700 0.013 0.000 0.799 397 E HN 0.408 nan 8.360 nan 0.000 0.518 398 Q N -0.977 118.833 119.800 0.016 0.000 2.460 398 Q HA -0.202 4.138 4.340 0.000 0.000 0.311 398 Q C 0.244 176.232 176.000 -0.018 0.000 1.396 398 Q CA 0.595 56.407 55.803 0.016 0.000 0.838 398 Q CB -1.590 27.177 28.738 0.048 0.000 1.140 398 Q HN 0.669 nan 8.270 nan 0.000 0.415 399 R N 0.304 120.796 120.500 -0.012 0.000 2.583 399 R HA 0.142 4.482 4.340 0.000 0.000 0.274 399 R C -0.251 176.018 176.300 -0.051 0.000 0.998 399 R CA 0.047 56.134 56.100 -0.021 0.000 1.081 399 R CB 0.629 30.928 30.300 -0.001 0.000 0.940 399 R HN 0.100 nan 8.270 nan 0.000 0.413 400 V N 7.030 126.888 119.914 -0.092 0.000 2.427 400 V HA 0.002 4.122 4.120 0.000 0.000 0.268 400 V C 1.128 177.197 176.094 -0.042 0.000 1.046 400 V CA 0.099 62.316 62.300 -0.138 0.000 0.970 400 V CB 1.106 32.726 31.823 -0.337 0.000 1.001 400 V HN 0.821 nan 8.190 nan 0.000 0.476 401 V N 2.344 122.245 119.914 -0.022 0.000 3.621 401 V HA 0.615 4.735 4.120 0.000 0.000 0.263 401 V C 0.750 176.853 176.094 0.015 0.000 1.272 401 V CA 0.815 63.118 62.300 0.005 0.000 1.080 401 V CB 0.367 32.196 31.823 0.010 0.000 0.816 401 V HN 0.777 nan 8.190 nan 0.000 0.451 402 G N -0.025 108.788 108.800 0.021 0.000 2.719 402 G HA2 0.612 4.572 3.960 0.000 0.000 0.298 402 G HA3 0.612 4.572 3.960 0.000 0.000 0.298 402 G C -1.661 173.186 174.900 -0.088 0.000 1.433 402 G CA -0.404 44.708 45.100 0.020 0.000 1.034 402 G HN 0.308 nan 8.290 nan 0.000 0.517 403 V N 3.377 123.062 119.914 -0.381 0.000 2.531 403 V HA 0.590 4.710 4.120 0.000 0.000 0.301 403 V C -0.905 174.832 176.094 -0.595 0.000 1.034 403 V CA -0.851 61.271 62.300 -0.297 0.000 0.865 403 V CB 1.550 33.294 31.823 -0.132 0.000 0.995 403 V HN 0.804 nan 8.190 nan 0.000 0.424 404 H N 3.188 122.245 119.070 -0.023 0.000 2.759 404 H HA 0.748 5.304 4.556 0.000 0.000 0.354 404 H C -1.282 174.037 175.328 -0.016 0.000 1.074 404 H CA -0.524 55.522 56.048 -0.003 0.000 1.226 404 H CB 2.734 32.505 29.762 0.015 0.000 1.648 404 H HN 0.512 nan 8.280 nan 0.000 0.529 405 V N 5.029 124.986 119.914 0.071 0.000 2.851 405 V HA 0.515 4.636 4.120 0.000 0.000 0.307 405 V C -1.343 174.751 176.094 -0.000 0.000 1.129 405 V CA -0.661 61.652 62.300 0.022 0.000 0.932 405 V CB 2.454 34.269 31.823 -0.014 0.000 1.024 405 V HN 0.762 nan 8.190 nan 0.000 0.426 406 I N 5.982 126.540 120.570 -0.020 0.000 2.498 406 I HA 0.957 5.127 4.170 0.000 0.000 0.290 406 I C -0.073 176.013 176.117 -0.051 0.000 1.032 406 I CA 0.602 61.876 61.300 -0.045 0.000 1.073 406 I CB 1.745 39.710 38.000 -0.058 0.000 1.251 406 I HN 1.169 nan 8.210 nan 0.000 0.426 407 G N 4.660 113.448 108.800 -0.019 0.000 2.359 407 G HA2 -0.024 3.936 3.960 0.000 0.000 0.314 407 G HA3 -0.024 3.936 3.960 0.000 0.000 0.314 407 G C -1.568 173.380 174.900 0.081 0.000 1.364 407 G CA -0.898 44.204 45.100 0.004 0.000 0.978 407 G HN 0.773 nan 8.290 nan 0.000 0.615 408 D N -0.166 120.320 120.400 0.142 0.000 2.586 408 D HA 0.428 5.068 4.640 0.000 0.000 0.234 408 D C 1.604 177.987 176.300 0.137 0.000 1.132 408 D CA 2.831 56.936 54.000 0.175 0.000 0.860 408 D CB 0.155 41.049 40.800 0.158 0.000 1.159 408 D HN 2.021 nan 8.370 nan 0.000 0.490 409 G N 2.608 111.502 108.800 0.157 0.000 2.199 409 G HA2 -0.350 3.610 3.960 0.000 0.000 0.254 409 G HA3 -0.350 3.610 3.960 0.000 0.000 0.254 409 G C 1.246 176.202 174.900 0.094 0.000 0.982 409 G CA 0.511 45.688 45.100 0.128 0.000 0.632 409 G HN 0.931 nan 8.290 nan 0.000 0.529 410 A N 1.285 124.146 122.820 0.069 0.000 2.084 410 A HA -0.010 4.310 4.320 0.000 0.000 0.221 410 A C 2.063 179.625 177.584 -0.037 0.000 1.161 410 A CA 2.304 54.348 52.037 0.011 0.000 0.653 410 A CB -0.458 18.529 19.000 -0.021 0.000 0.802 410 A HN 0.878 nan 8.150 nan 0.000 0.457 411 D N -0.975 119.398 120.400 -0.044 0.000 2.312 411 D HA -0.095 4.545 4.640 0.000 0.000 0.211 411 D C 0.799 177.089 176.300 -0.017 0.000 0.964 411 D CA 0.837 54.763 54.000 -0.123 0.000 0.877 411 D CB -0.168 40.547 40.800 -0.141 0.000 0.924 411 D HN 0.421 nan 8.370 nan 0.000 0.515 412 E N -0.566 119.656 120.200 0.038 0.000 2.583 412 E HA 0.186 4.536 4.350 0.000 0.000 0.213 412 E C 1.469 178.114 176.600 0.075 0.000 0.989 412 E CA -0.170 56.267 56.400 0.061 0.000 0.991 412 E CB 0.638 30.384 29.700 0.076 0.000 1.040 412 E HN 0.315 nan 8.360 nan 0.000 0.481 413 M N -0.127 119.523 119.600 0.082 0.000 2.325 413 M HA 0.092 4.572 4.480 0.000 0.000 0.265 413 M C 1.481 177.924 176.300 0.239 0.000 1.094 413 M CA 1.068 56.453 55.300 0.143 0.000 1.161 413 M CB 0.390 33.055 32.600 0.108 0.000 1.358 413 M HN 0.034 nan 8.290 nan 0.000 0.446 414 L N -0.493 120.831 121.223 0.169 0.000 2.567 414 L HA -0.009 4.331 4.340 0.000 0.000 0.225 414 L C 2.080 179.065 176.870 0.192 0.000 1.119 414 L CA 0.061 55.041 54.840 0.232 0.000 0.871 414 L CB -0.390 41.718 42.059 0.082 0.000 1.036 414 L HN 0.337 nan 8.230 nan 0.000 0.459 415 Q N 1.301 121.167 119.800 0.109 0.000 2.077 415 Q HA -0.179 4.161 4.340 0.000 0.000 0.206 415 Q C 2.098 178.116 176.000 0.029 0.000 0.989 415 Q CA 2.407 58.245 55.803 0.058 0.000 0.853 415 Q CB -0.496 28.263 28.738 0.035 0.000 0.907 415 Q HN 0.386 nan 8.270 nan 0.000 0.418 416 G N -1.382 107.406 108.800 -0.020 0.000 2.422 416 G HA2 -0.201 3.759 3.960 0.000 0.000 0.218 416 G HA3 -0.201 3.759 3.960 0.000 0.000 0.218 416 G C 1.074 175.854 174.900 -0.201 0.000 1.140 416 G CA 0.570 45.581 45.100 -0.148 0.000 0.775 416 G HN 0.406 nan 8.290 nan 0.000 0.545 417 F N 1.636 121.551 119.950 -0.057 0.000 2.234 417 F HA 0.063 4.590 4.527 0.000 0.000 0.299 417 F C 2.970 178.777 175.800 0.011 0.000 1.087 417 F CA 0.759 58.732 58.000 -0.045 0.000 1.340 417 F CB 0.008 39.001 39.000 -0.013 0.000 1.031 417 F HN 0.232 nan 8.300 nan 0.000 0.500 418 A N -0.053 122.862 122.820 0.158 0.000 1.902 418 A HA -0.126 4.194 4.320 0.000 0.000 0.217 418 A C 2.326 179.943 177.584 0.056 0.000 1.181 418 A CA 1.803 53.896 52.037 0.092 0.000 0.623 418 A CB -1.180 17.855 19.000 0.058 0.000 0.818 418 A HN 0.154 nan 8.150 nan 0.000 0.443 419 V N 0.003 119.928 119.914 0.019 0.000 2.287 419 V HA -0.293 3.827 4.120 0.000 0.000 0.248 419 V C 3.055 179.154 176.094 0.008 0.000 1.053 419 V CA 2.116 64.413 62.300 -0.005 0.000 1.027 419 V CB -1.386 30.413 31.823 -0.040 0.000 0.646 419 V HN 0.623 nan 8.190 nan 0.000 0.447 420 A N -0.228 122.594 122.820 0.005 0.000 1.877 420 A HA -0.158 4.162 4.320 0.000 0.000 0.216 420 A C 2.400 180.059 177.584 0.124 0.000 1.186 420 A CA 2.093 54.154 52.037 0.041 0.000 0.620 420 A CB -0.785 18.210 19.000 -0.008 0.000 0.822 420 A HN 0.326 nan 8.150 nan 0.000 0.443 421 V N 0.234 120.249 119.914 0.169 0.000 2.332 421 V HA -0.293 3.827 4.120 0.000 0.000 0.248 421 V C 2.552 178.693 176.094 0.078 0.000 1.055 421 V CA 2.522 64.908 62.300 0.144 0.000 1.038 421 V CB -0.705 31.200 31.823 0.138 0.000 0.651 421 V HN 0.667 nan 8.190 nan 0.000 0.450 422 K N -0.014 120.420 120.400 0.057 0.000 2.113 422 K HA -0.152 4.168 4.320 0.000 0.000 0.208 422 K C 1.923 178.541 176.600 0.031 0.000 1.047 422 K CA 1.825 58.132 56.287 0.033 0.000 0.928 422 K CB -0.262 32.248 32.500 0.018 0.000 0.716 422 K HN 0.437 nan 8.250 nan 0.000 0.446 423 M N -1.044 118.578 119.600 0.036 0.000 2.595 423 M HA 0.134 4.614 4.480 0.000 0.000 0.248 423 M C 0.692 177.017 176.300 0.041 0.000 1.119 423 M CA 0.801 56.120 55.300 0.032 0.000 1.079 423 M CB 0.562 33.177 32.600 0.025 0.000 1.472 423 M HN 0.400 nan 8.290 nan 0.000 0.501 424 G N 1.302 110.134 108.800 0.054 0.000 2.203 424 G HA2 -0.134 3.826 3.960 0.000 0.000 0.231 424 G HA3 -0.134 3.826 3.960 0.000 0.000 0.231 424 G C 0.100 175.041 174.900 0.069 0.000 1.058 424 G CA -0.125 45.006 45.100 0.051 0.000 0.781 424 G HN 0.722 nan 8.290 nan 0.000 0.496 425 A N 0.198 123.087 122.820 0.116 0.000 2.565 425 A HA 0.582 4.902 4.320 0.000 0.000 0.237 425 A C 1.226 178.868 177.584 0.097 0.000 1.053 425 A CA 1.581 53.724 52.037 0.177 0.000 0.755 425 A CB 0.141 19.377 19.000 0.395 0.000 0.980 425 A HN 2.021 nan 8.150 nan 0.000 0.506 426 T N -0.315 114.285 114.554 0.078 0.000 2.910 426 T HA 0.462 4.812 4.350 0.000 0.000 0.279 426 T C 1.018 175.676 174.700 -0.070 0.000 0.989 426 T CA -0.091 62.003 62.100 -0.010 0.000 0.968 426 T CB 0.991 69.866 68.868 0.012 0.000 1.135 426 T HN 0.542 nan 8.240 nan 0.000 0.562 427 K N 0.414 120.729 120.400 -0.140 0.000 2.057 427 K HA 0.083 4.403 4.320 0.000 0.000 0.207 427 K C 2.404 178.987 176.600 -0.029 0.000 1.049 427 K CA 1.669 57.835 56.287 -0.201 0.000 0.931 427 K CB -1.128 31.241 32.500 -0.218 0.000 0.714 427 K HN 0.698 nan 8.250 nan 0.000 0.440 428 A N 1.224 124.048 122.820 0.007 0.000 1.917 428 A HA -0.230 4.090 4.320 0.000 0.000 0.219 428 A C 1.773 179.409 177.584 0.088 0.000 1.182 428 A CA 2.187 54.247 52.037 0.039 0.000 0.633 428 A CB -0.838 18.180 19.000 0.030 0.000 0.819 428 A HN 0.445 nan 8.150 nan 0.000 0.448 429 D N -0.959 119.519 120.400 0.130 0.000 2.123 429 D HA -0.137 4.503 4.640 0.000 0.000 0.196 429 D C 1.617 178.055 176.300 0.231 0.000 0.992 429 D CA 1.141 55.242 54.000 0.168 0.000 0.833 429 D CB -0.387 40.532 40.800 0.198 0.000 0.954 429 D HN 0.440 nan 8.370 nan 0.000 0.455 430 F N 1.626 121.579 119.950 0.006 0.000 2.113 430 F HA -0.110 4.417 4.527 0.000 0.000 0.297 430 F C 2.194 177.997 175.800 0.005 0.000 1.103 430 F CA 0.907 58.923 58.000 0.028 0.000 1.248 430 F CB -0.529 38.489 39.000 0.029 0.000 0.999 430 F HN -0.122 nan 8.300 nan 0.000 0.475 431 D N -0.468 120.037 120.400 0.175 0.000 2.178 431 D HA -0.122 4.518 4.640 0.000 0.000 0.202 431 D C 1.728 178.056 176.300 0.047 0.000 0.974 431 D CA 0.831 54.877 54.000 0.076 0.000 0.841 431 D CB -0.531 40.288 40.800 0.032 0.000 0.953 431 D HN 0.203 nan 8.370 nan 0.000 0.478 432 N N 0.112 118.841 118.700 0.048 0.000 2.512 432 N HA -0.075 4.665 4.740 0.000 0.000 0.183 432 N C 0.637 176.151 175.510 0.007 0.000 1.073 432 N CA 0.429 53.493 53.050 0.024 0.000 0.911 432 N CB -0.058 38.444 38.487 0.024 0.000 0.964 432 N HN 0.187 nan 8.380 nan 0.000 0.447 433 T N 0.373 114.928 114.554 0.001 0.000 2.771 433 T HA 0.338 4.688 4.350 0.000 0.000 0.291 433 T C 0.130 174.818 174.700 -0.020 0.000 0.954 433 T CA -0.650 61.431 62.100 -0.031 0.000 1.045 433 T CB 0.846 69.663 68.868 -0.085 0.000 0.917 433 T HN -0.233 nan 8.240 nan 0.000 0.484 434 V N 4.926 124.827 119.914 -0.021 0.000 2.655 434 V HA 0.448 4.568 4.120 0.000 0.000 0.300 434 V C 1.314 177.405 176.094 -0.005 0.000 1.044 434 V CA -0.383 61.911 62.300 -0.010 0.000 1.095 434 V CB 0.221 32.037 31.823 -0.010 0.000 0.952 434 V HN 1.194 nan 8.190 nan 0.000 0.485 435 A N 5.966 128.792 122.820 0.010 0.000 2.483 435 A HA 0.464 4.784 4.320 0.000 0.000 0.238 435 A C -0.102 177.508 177.584 0.044 0.000 1.070 435 A CA -0.188 51.868 52.037 0.032 0.000 0.770 435 A CB -0.065 18.958 19.000 0.038 0.000 1.008 435 A HN 0.751 nan 8.150 nan 0.000 0.497 436 I N 1.472 122.076 120.570 0.056 0.000 2.342 436 I HA 0.279 4.449 4.170 0.000 0.000 0.291 436 I C 0.051 176.238 176.117 0.117 0.000 1.010 436 I CA 0.094 61.432 61.300 0.064 0.000 1.308 436 I CB 0.838 38.862 38.000 0.039 0.000 1.400 436 I HN 0.828 nan 8.210 nan 0.000 0.488 437 H N 7.100 126.172 119.070 0.004 0.000 2.717 437 H HA 0.609 5.165 4.556 0.000 0.000 0.366 437 H C -2.505 172.828 175.328 0.008 0.000 1.132 437 H CA -1.585 54.466 56.048 0.004 0.000 1.180 437 H CB 1.663 31.423 29.762 -0.003 0.000 1.678 437 H HN 0.341 nan 8.280 nan 0.000 0.537 438 P HA 0.616 nan 4.420 nan 0.000 0.292 438 P C -0.617 176.555 177.300 -0.213 0.000 1.283 438 P CA -0.529 62.122 63.100 -0.747 0.000 0.835 438 P CB 1.939 33.155 31.700 -0.807 0.000 1.017 439 G N -0.536 108.218 108.800 -0.076 0.000 2.488 439 G HA2 0.326 4.286 3.960 0.000 0.000 0.301 439 G HA3 0.326 4.286 3.960 0.000 0.000 0.301 439 G C 0.198 175.150 174.900 0.086 0.000 1.339 439 G CA -0.355 44.757 45.100 0.020 0.000 0.803 439 G HN 0.248 nan 8.290 nan 0.000 0.482 440 S N -0.349 115.445 115.700 0.157 0.000 2.388 440 S HA 0.122 4.592 4.470 0.000 0.000 0.223 440 S C 2.726 177.454 174.600 0.213 0.000 1.034 440 S CA 1.538 59.904 58.200 0.276 0.000 0.963 440 S CB -0.266 63.151 63.200 0.361 0.000 0.827 440 S HN 1.121 nan 8.310 nan 0.000 0.481 441 A N 2.425 125.347 122.820 0.171 0.000 1.986 441 A HA -0.237 4.083 4.320 0.000 0.000 0.220 441 A C 1.962 179.645 177.584 0.165 0.000 1.171 441 A CA 1.901 54.044 52.037 0.177 0.000 0.640 441 A CB -0.817 18.316 19.000 0.221 0.000 0.811 441 A HN 0.774 nan 8.150 nan 0.000 0.451 442 E N -0.377 119.898 120.200 0.126 0.000 2.219 442 E HA -0.255 4.095 4.350 0.000 0.000 0.198 442 E C 1.271 177.912 176.600 0.069 0.000 0.998 442 E CA 1.298 57.756 56.400 0.098 0.000 0.818 442 E CB -0.330 29.423 29.700 0.087 0.000 0.741 442 E HN 0.569 nan 8.360 nan 0.000 0.477 443 E N 0.897 121.125 120.200 0.046 0.000 2.204 443 E HA -0.099 4.251 4.350 0.000 0.000 0.195 443 E C 2.166 178.810 176.600 0.073 0.000 0.990 443 E CA 0.680 57.091 56.400 0.020 0.000 0.821 443 E CB -0.121 29.579 29.700 0.001 0.000 0.750 443 E HN 0.479 nan 8.360 nan 0.000 0.477 444 L N 0.502 121.778 121.223 0.088 0.000 2.291 444 L HA -0.074 4.266 4.340 0.000 0.000 0.214 444 L C 2.058 179.056 176.870 0.213 0.000 1.120 444 L CA 0.610 55.501 54.840 0.084 0.000 0.799 444 L CB -0.041 41.933 42.059 -0.143 0.000 0.925 444 L HN 0.024 nan 8.230 nan 0.000 0.446 445 V N -5.061 114.961 119.914 0.182 0.000 3.483 445 V HA 0.160 4.280 4.120 0.000 0.000 0.301 445 V C 1.056 177.205 176.094 0.091 0.000 1.389 445 V CA 0.533 62.940 62.300 0.179 0.000 1.101 445 V CB -0.201 31.696 31.823 0.123 0.000 0.971 445 V HN 0.389 nan 8.190 nan 0.000 0.434 446 T N -1.900 112.690 114.554 0.059 0.000 3.442 446 T HA 0.487 4.837 4.350 0.000 0.000 0.295 446 T C -0.064 174.646 174.700 0.017 0.000 1.007 446 T CA -0.203 61.911 62.100 0.023 0.000 0.962 446 T CB -0.347 68.525 68.868 0.007 0.000 1.187 446 T HN 0.293 nan 8.240 nan 0.000 0.490 447 L N 1.669 122.894 121.223 0.005 0.000 2.325 447 L HA 0.574 4.914 4.340 0.000 0.000 0.284 447 L C 1.593 178.482 176.870 0.031 0.000 1.089 447 L CA -0.333 54.523 54.840 0.026 0.000 0.836 447 L CB 0.689 42.752 42.059 0.007 0.000 1.184 447 L HN 0.428 nan 8.230 nan 0.000 0.444 448 K N 2.897 123.364 120.400 0.111 0.000 2.057 448 K HA 0.295 4.615 4.320 0.000 0.000 0.209 448 K C 0.841 177.580 176.600 0.230 0.000 1.028 448 K CA 1.140 57.499 56.287 0.120 0.000 0.950 448 K CB -0.503 32.041 32.500 0.074 0.000 0.784 448 K HN 0.626 nan 8.250 nan 0.000 0.448 449 E N 2.514 122.828 120.200 0.189 0.000 2.175 449 E HA 0.530 4.880 4.350 0.000 0.000 0.278 449 E C -2.644 173.984 176.600 0.046 0.000 0.969 449 E CA -2.307 54.169 56.400 0.126 0.000 0.796 449 E CB 0.740 30.472 29.700 0.054 0.000 1.104 449 E HN 0.508 nan 8.360 nan 0.000 0.395 450 P HA 0.211 nan 4.420 nan 0.000 0.277 450 P C 0.701 177.855 177.300 -0.243 0.000 1.240 450 P CA -0.430 62.346 63.100 -0.540 0.000 0.798 450 P CB 1.892 33.085 31.700 -0.845 0.000 0.979 451 V N 2.046 121.836 119.914 -0.206 0.000 2.535 451 V HA 0.046 4.166 4.120 0.000 0.000 0.246 451 V C 0.928 176.954 176.094 -0.113 0.000 1.045 451 V CA 1.341 63.575 62.300 -0.110 0.000 1.058 451 V CB -0.282 31.503 31.823 -0.064 0.000 0.689 451 V HN 0.510 nan 8.190 nan 0.000 0.461 452 R N -0.488 119.922 120.500 -0.151 0.000 2.673 452 R HA 0.753 5.093 4.340 0.000 0.000 0.281 452 R C -0.464 175.750 176.300 -0.145 0.000 0.991 452 R CA -0.130 55.899 56.100 -0.119 0.000 0.896 452 R CB 1.892 32.139 30.300 -0.089 0.000 1.201 452 R HN 0.260 nan 8.270 nan 0.000 0.457 453 R N 1.753 122.190 120.500 -0.104 0.000 2.919 453 R HA 0.579 4.919 4.340 0.000 0.000 0.260 453 R C -2.738 173.526 176.300 -0.060 0.000 1.067 453 R CA -1.997 54.049 56.100 -0.091 0.000 1.003 453 R CB -0.324 29.930 30.300 -0.077 0.000 1.192 453 R HN 0.409 nan 8.270 nan 0.000 0.488 454 P HA 0.325 nan 4.420 nan 0.000 0.258 454 P C 0.289 177.572 177.300 -0.029 0.000 1.187 454 P CA 1.716 64.796 63.100 -0.032 0.000 0.767 454 P CB 0.413 32.099 31.700 -0.023 0.000 0.770 455 G N 0.000 108.783 108.800 -0.028 0.000 5.446 455 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 455 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 455 G CA 0.000 45.086 45.100 -0.024 0.000 0.502 455 G HN 0.000 nan 8.290 nan 0.000 0.925