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 1fwa_1_C DATA FIRST_RESID 2 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLXIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVAHH LDPDIAEDVA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.618 174.600 0.030 0.000 1.055 2 S CA 0.000 58.221 58.200 0.035 0.000 1.107 2 S CB 0.000 63.222 63.200 0.037 0.000 0.593 3 N N 0.050 118.767 118.700 0.029 0.000 2.284 3 N HA 0.754 5.494 4.740 -0.000 0.000 0.289 3 N C -1.846 173.686 175.510 0.036 0.000 1.179 3 N CA -0.364 52.696 53.050 0.016 0.000 0.774 3 N CB 2.593 41.082 38.487 0.004 0.000 1.548 3 N HN 0.703 nan 8.380 nan 0.000 0.473 4 I N 0.647 121.237 120.570 0.033 0.000 2.752 4 I HA 0.224 4.394 4.170 -0.000 0.000 0.295 4 I C -0.142 176.004 176.117 0.049 0.000 1.219 4 I CA -0.457 60.888 61.300 0.073 0.000 1.030 4 I CB 1.924 40.023 38.000 0.166 0.000 1.259 4 I HN 0.620 nan 8.210 nan 0.000 0.423 5 S N 6.123 121.857 115.700 0.056 0.000 2.585 5 S HA 0.327 4.797 4.470 -0.000 0.000 0.273 5 S C 1.025 175.667 174.600 0.069 0.000 1.339 5 S CA -0.384 57.839 58.200 0.038 0.000 1.028 5 S CB 1.512 64.732 63.200 0.034 0.000 0.906 5 S HN 0.820 nan 8.310 nan 0.000 0.528 6 R N 0.413 120.931 120.500 0.030 0.000 2.096 6 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 6 R C 2.411 178.786 176.300 0.125 0.000 1.127 6 R CA 1.734 57.864 56.100 0.050 0.000 0.968 6 R CB -0.442 29.855 30.300 -0.005 0.000 0.861 6 R HN 0.797 nan 8.270 nan 0.000 0.440 7 Q N 0.619 120.471 119.800 0.087 0.000 2.046 7 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 7 Q C 1.878 177.933 176.000 0.092 0.000 0.975 7 Q CA 2.119 57.971 55.803 0.083 0.000 0.836 7 Q CB -0.310 28.459 28.738 0.051 0.000 0.896 7 Q HN 0.300 nan 8.270 nan 0.000 0.428 8 A N -0.699 122.174 122.820 0.088 0.000 1.933 8 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 8 A C 2.053 179.692 177.584 0.092 0.000 1.175 8 A CA 1.483 53.560 52.037 0.066 0.000 0.628 8 A CB -1.063 17.974 19.000 0.062 0.000 0.814 8 A HN 0.624 nan 8.150 nan 0.000 0.444 9 Y N 0.508 120.853 120.300 0.074 0.000 2.145 9 Y HA -0.107 4.443 4.550 -0.000 0.000 0.286 9 Y C 2.673 178.678 175.900 0.175 0.000 1.145 9 Y CA 1.504 59.710 58.100 0.176 0.000 1.148 9 Y CB -0.426 38.115 38.460 0.135 0.000 0.981 9 Y HN 0.313 nan 8.280 nan 0.000 0.507 10 A N 0.088 123.079 122.820 0.286 0.000 1.940 10 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 10 A C 1.837 179.446 177.584 0.042 0.000 1.176 10 A CA 2.054 54.206 52.037 0.192 0.000 0.631 10 A CB -0.831 18.273 19.000 0.173 0.000 0.814 10 A HN 0.555 nan 8.150 nan 0.000 0.446 11 D N -0.919 119.479 120.400 -0.002 0.000 2.218 11 D HA -0.086 4.554 4.640 -0.000 0.000 0.204 11 D C 1.887 178.085 176.300 -0.170 0.000 0.976 11 D CA 1.154 55.119 54.000 -0.058 0.000 0.853 11 D CB -0.186 40.587 40.800 -0.045 0.000 0.939 11 D HN 0.508 nan 8.370 nan 0.000 0.481 12 M N -1.497 117.908 119.600 -0.326 0.000 2.429 12 M HA 0.082 4.562 4.480 -0.000 0.000 0.265 12 M C 0.710 176.495 176.300 -0.858 0.000 1.120 12 M CA 0.795 55.681 55.300 -0.690 0.000 1.173 12 M CB 0.414 32.361 32.600 -1.088 0.000 1.343 12 M HN -0.093 nan 8.290 nan 0.000 0.464 13 F N -0.164 119.631 119.950 -0.259 0.000 2.706 13 F HA 0.473 5.000 4.527 -0.000 0.000 0.313 13 F C 0.980 176.744 175.800 -0.060 0.000 1.096 13 F CA -0.055 57.822 58.000 -0.206 0.000 1.219 13 F CB 0.397 39.153 39.000 -0.407 0.000 1.051 13 F HN 0.202 nan 8.300 nan 0.000 0.568 14 G N 1.561 110.418 108.800 0.096 0.000 2.707 14 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.686 14 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.686 14 G C -2.978 172.054 174.900 0.219 0.000 1.315 14 G CA -1.339 43.844 45.100 0.137 0.000 0.832 14 G HN -0.056 nan 8.290 nan 0.000 0.573 15 P HA 0.429 nan 4.420 nan 0.000 0.271 15 P C 0.126 177.578 177.300 0.253 0.000 1.233 15 P CA 0.484 63.711 63.100 0.211 0.000 0.789 15 P CB 1.557 33.340 31.700 0.138 0.000 0.951 16 T N -0.658 114.033 114.554 0.228 0.000 2.693 16 T HA 0.276 4.626 4.350 -0.000 0.000 0.278 16 T C -0.502 174.275 174.700 0.129 0.000 0.994 16 T CA -0.780 61.445 62.100 0.208 0.000 1.033 16 T CB 0.604 69.607 68.868 0.225 0.000 1.342 16 T HN 0.098 nan 8.240 nan 0.000 0.538 17 V N 2.259 122.245 119.914 0.121 0.000 2.644 17 V HA 0.309 4.429 4.120 -0.000 0.000 0.303 17 V C 1.843 177.973 176.094 0.058 0.000 1.058 17 V CA 1.778 64.129 62.300 0.085 0.000 1.228 17 V CB -0.246 31.628 31.823 0.085 0.000 0.861 17 V HN 1.327 nan 8.190 nan 0.000 0.484 18 G N 3.737 112.568 108.800 0.051 0.000 2.234 18 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.235 18 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.235 18 G C -0.048 174.875 174.900 0.039 0.000 0.997 18 G CA 0.030 45.151 45.100 0.035 0.000 0.623 18 G HN 0.663 nan 8.290 nan 0.000 0.514 19 D N 1.335 121.770 120.400 0.059 0.000 2.341 19 D HA 0.550 5.190 4.640 -0.000 0.000 0.245 19 D C 0.571 176.924 176.300 0.088 0.000 1.106 19 D CA 0.368 54.412 54.000 0.073 0.000 0.905 19 D CB 1.032 41.890 40.800 0.096 0.000 1.202 19 D HN 0.405 nan 8.370 nan 0.000 0.426 20 K N 0.267 120.739 120.400 0.121 0.000 2.267 20 K HA 0.668 4.988 4.320 -0.000 0.000 0.246 20 K C -0.975 175.795 176.600 0.284 0.000 0.954 20 K CA -0.958 55.449 56.287 0.200 0.000 0.824 20 K CB 2.262 34.892 32.500 0.217 0.000 1.167 20 K HN 0.083 nan 8.250 nan 0.000 0.431 21 V N 1.692 121.740 119.914 0.223 0.000 2.709 21 V HA 0.387 4.507 4.120 -0.000 0.000 0.308 21 V C -0.498 175.445 176.094 -0.252 0.000 1.062 21 V CA -1.018 61.298 62.300 0.027 0.000 0.901 21 V CB 1.706 33.490 31.823 -0.065 0.000 1.003 21 V HN 0.699 nan 8.190 nan 0.000 0.425 22 R N 3.945 124.042 120.500 -0.670 0.000 2.340 22 R HA 0.483 4.823 4.340 -0.000 0.000 0.300 22 R C -0.875 175.050 176.300 -0.624 0.000 1.069 22 R CA -0.519 54.914 56.100 -1.112 0.000 0.984 22 R CB 0.558 30.041 30.300 -1.361 0.000 1.003 22 R HN 0.729 nan 8.270 nan 0.000 0.459 23 L N 6.458 127.330 121.223 -0.585 0.000 2.342 23 L HA 0.217 4.557 4.340 -0.000 0.000 0.285 23 L C 1.140 177.815 176.870 -0.325 0.000 1.095 23 L CA 0.363 54.905 54.840 -0.497 0.000 0.843 23 L CB 0.396 42.087 42.059 -0.612 0.000 1.201 23 L HN 1.135 nan 8.230 nan 0.000 0.445 24 A N 4.171 126.852 122.820 -0.231 0.000 5.483 24 A HA -0.317 4.003 4.320 -0.000 0.000 0.309 24 A C 0.792 178.283 177.584 -0.154 0.000 1.898 24 A CA 1.438 53.381 52.037 -0.157 0.000 0.716 24 A CB -1.083 17.812 19.000 -0.174 0.000 1.309 24 A HN 0.944 nan 8.150 nan 0.000 0.380 25 D N 0.063 120.417 120.400 -0.078 0.000 2.525 25 D HA 0.351 4.991 4.640 -0.000 0.000 0.229 25 D C 0.682 176.908 176.300 -0.123 0.000 1.202 25 D CA 1.025 54.973 54.000 -0.087 0.000 0.828 25 D CB -0.987 39.802 40.800 -0.019 0.000 1.008 25 D HN 1.102 nan 8.370 nan 0.000 0.493 26 T N -2.671 111.790 114.554 -0.155 0.000 2.852 26 T HA 0.268 4.618 4.350 -0.000 0.000 0.281 26 T C 0.763 175.483 174.700 0.033 0.000 0.993 26 T CA -0.489 61.557 62.100 -0.089 0.000 0.933 26 T CB 1.591 70.442 68.868 -0.029 0.000 1.187 26 T HN -0.220 nan 8.240 nan 0.000 0.559 27 E N 0.045 120.422 120.200 0.295 0.000 2.444 27 E HA 0.283 4.633 4.350 -0.000 0.000 0.191 27 E C -0.137 176.551 176.600 0.146 0.000 1.041 27 E CA -0.100 56.416 56.400 0.194 0.000 0.883 27 E CB -0.167 29.631 29.700 0.163 0.000 1.024 27 E HN 0.541 nan 8.360 nan 0.000 0.470 28 L N 0.656 121.882 121.223 0.004 0.000 2.290 28 L HA 0.297 4.637 4.340 -0.000 0.000 0.284 28 L C -0.415 176.350 176.870 -0.176 0.000 1.078 28 L CA -0.441 54.392 54.840 -0.011 0.000 0.815 28 L CB 0.490 42.517 42.059 -0.053 0.000 1.162 28 L HN -0.088 nan 8.230 nan 0.000 0.435 29 W N 4.669 125.926 121.300 -0.072 0.000 2.702 29 W HA 0.652 5.312 4.660 -0.000 0.000 0.331 29 W C -0.219 176.242 176.519 -0.097 0.000 1.049 29 W CA -0.511 56.782 57.345 -0.086 0.000 1.230 29 W CB 1.542 30.971 29.460 -0.050 0.000 1.408 29 W HN 0.239 nan 8.180 nan 0.000 0.492 30 I N -0.406 120.213 120.570 0.083 0.000 2.603 30 I HA 0.659 4.829 4.170 -0.000 0.000 0.300 30 I C -0.625 175.529 176.117 0.061 0.000 1.017 30 I CA -1.126 60.180 61.300 0.010 0.000 1.098 30 I CB 2.222 40.144 38.000 -0.130 0.000 1.279 30 I HN 0.423 nan 8.210 nan 0.000 0.437 31 E N 4.377 124.605 120.200 0.047 0.000 2.187 31 E HA 0.435 4.785 4.350 -0.000 0.000 0.268 31 E C -1.266 175.355 176.600 0.036 0.000 0.896 31 E CA -0.915 55.517 56.400 0.053 0.000 0.766 31 E CB 2.319 32.049 29.700 0.049 0.000 1.142 31 E HN 0.617 nan 8.360 nan 0.000 0.408 32 V N 5.128 125.069 119.914 0.045 0.000 2.493 32 V HA -0.051 4.069 4.120 -0.000 0.000 0.292 32 V C 0.957 177.082 176.094 0.051 0.000 1.016 32 V CA 0.702 63.031 62.300 0.048 0.000 1.097 32 V CB 0.623 32.489 31.823 0.072 0.000 0.947 32 V HN 0.846 nan 8.190 nan 0.000 0.479 33 E N 2.321 122.549 120.200 0.047 0.000 2.170 33 E HA 0.047 4.397 4.350 -0.000 0.000 0.191 33 E C 0.165 176.804 176.600 0.065 0.000 0.981 33 E CA 0.477 56.911 56.400 0.056 0.000 0.830 33 E CB 0.375 30.111 29.700 0.060 0.000 0.775 33 E HN 0.761 nan 8.360 nan 0.000 0.470 34 D N -0.725 119.718 120.400 0.072 0.000 2.623 34 D HA 0.181 4.821 4.640 -0.000 0.000 0.241 34 D C -2.000 174.343 176.300 0.073 0.000 1.241 34 D CA -0.571 53.472 54.000 0.072 0.000 0.788 34 D CB 1.954 42.805 40.800 0.086 0.000 1.413 34 D HN -0.208 nan 8.370 nan 0.000 0.429 35 D N 2.210 122.639 120.400 0.048 0.000 2.686 35 D HA 0.207 4.847 4.640 -0.000 0.000 0.249 35 D C 0.072 176.355 176.300 -0.027 0.000 1.260 35 D CA -0.402 53.617 54.000 0.032 0.000 0.910 35 D CB 1.440 42.264 40.800 0.041 0.000 1.323 35 D HN 0.124 nan 8.370 nan 0.000 0.561 36 L N 2.537 123.759 121.223 -0.001 0.000 2.627 36 L HA 0.151 4.491 4.340 -0.000 0.000 0.233 36 L C 1.415 178.247 176.870 -0.064 0.000 1.144 36 L CA 0.555 55.383 54.840 -0.019 0.000 0.892 36 L CB -0.735 41.339 42.059 0.025 0.000 1.039 36 L HN 0.363 nan 8.230 nan 0.000 0.442 37 T N -1.215 113.266 114.554 -0.121 0.000 2.824 37 T HA 0.348 4.698 4.350 -0.000 0.000 0.277 37 T C 0.136 174.666 174.700 -0.283 0.000 0.975 37 T CA -0.247 61.757 62.100 -0.159 0.000 0.966 37 T CB 0.795 69.583 68.868 -0.133 0.000 1.054 37 T HN 0.075 nan 8.240 nan 0.000 0.533 38 T N 2.777 117.199 114.554 -0.220 0.000 2.809 38 T HA 0.374 4.724 4.350 -0.000 0.000 0.296 38 T C -0.912 173.700 174.700 -0.146 0.000 1.015 38 T CA -0.205 61.774 62.100 -0.202 0.000 0.954 38 T CB -0.048 68.770 68.868 -0.084 0.000 0.950 38 T HN 0.508 nan 8.240 nan 0.000 0.450 39 Y N 2.019 122.302 120.300 -0.030 0.000 2.802 39 Y HA 0.264 4.814 4.550 -0.000 0.000 0.333 39 Y C 1.724 177.612 175.900 -0.021 0.000 1.244 39 Y CA 0.922 59.003 58.100 -0.032 0.000 1.558 39 Y CB 0.162 38.584 38.460 -0.062 0.000 1.233 39 Y HN 1.038 nan 8.280 nan 0.000 0.547 40 G N 2.102 110.982 108.800 0.134 0.000 2.238 40 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 40 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 40 G C 0.585 175.496 174.900 0.019 0.000 0.996 40 G CA -0.151 44.991 45.100 0.069 0.000 0.632 40 G HN 0.540 nan 8.290 nan 0.000 0.503 41 E N 1.100 121.297 120.200 -0.005 0.000 2.499 41 E HA 0.236 4.586 4.350 -0.000 0.000 0.199 41 E C 0.242 176.822 176.600 -0.032 0.000 1.016 41 E CA 0.003 56.397 56.400 -0.011 0.000 0.933 41 E CB 0.473 30.170 29.700 -0.005 0.000 1.050 41 E HN 0.678 nan 8.360 nan 0.000 0.462 42 E N 0.823 120.959 120.200 -0.107 0.000 2.413 42 E HA 0.063 4.413 4.350 -0.000 0.000 0.263 42 E C 0.184 176.794 176.600 0.018 0.000 1.015 42 E CA -0.105 56.224 56.400 -0.118 0.000 0.916 42 E CB 0.841 30.265 29.700 -0.459 0.000 0.947 42 E HN -0.082 nan 8.360 nan 0.000 0.440 43 V N 0.086 120.046 119.914 0.075 0.000 2.481 43 V HA 0.533 4.653 4.120 -0.000 0.000 0.286 43 V C -0.035 176.167 176.094 0.181 0.000 1.042 43 V CA -0.643 61.728 62.300 0.119 0.000 0.928 43 V CB 1.162 33.045 31.823 0.099 0.000 0.986 43 V HN 0.505 nan 8.190 nan 0.000 0.462 44 K N 3.370 123.883 120.400 0.188 0.000 2.468 44 K HA 0.573 4.893 4.320 -0.000 0.000 0.252 44 K C -1.906 174.801 176.600 0.179 0.000 0.932 44 K CA -0.631 55.769 56.287 0.189 0.000 0.794 44 K CB 2.618 35.227 32.500 0.181 0.000 1.241 44 K HN 0.750 nan 8.250 nan 0.000 0.428 45 F N 1.573 121.548 119.950 0.043 0.000 2.450 45 F HA 0.737 5.264 4.527 -0.000 0.000 0.332 45 F C 0.138 175.946 175.800 0.012 0.000 1.093 45 F CA 0.335 58.350 58.000 0.026 0.000 1.003 45 F CB 1.786 40.799 39.000 0.021 0.000 1.151 45 F HN 0.675 nan 8.300 nan 0.000 0.474 46 G N 2.274 110.346 108.800 -1.214 0.000 2.369 46 G HA2 0.346 4.306 3.960 -0.000 0.000 0.293 46 G HA3 0.346 4.306 3.960 -0.000 0.000 0.293 46 G C -0.731 173.836 174.900 -0.556 0.000 1.301 46 G CA -0.496 44.083 45.100 -0.868 0.000 0.913 46 G HN 1.086 nan 8.290 nan 0.000 0.540 47 G N -0.553 108.047 108.800 -0.334 0.000 2.248 47 G HA2 0.533 4.493 3.960 -0.000 0.000 0.260 47 G HA3 0.533 4.493 3.960 -0.000 0.000 0.260 47 G C 1.464 176.275 174.900 -0.149 0.000 1.214 47 G CA 1.797 46.776 45.100 -0.202 0.000 0.979 47 G HN 2.450 nan 8.290 nan 0.000 0.454 48 G N 1.648 110.376 108.800 -0.121 0.000 2.179 48 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.257 48 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.257 48 G C 0.825 175.686 174.900 -0.065 0.000 1.010 48 G CA 0.792 45.848 45.100 -0.074 0.000 0.736 48 G HN 0.709 nan 8.290 nan 0.000 0.513 49 K N -0.838 119.505 120.400 -0.095 0.000 2.842 49 K HA 0.615 4.935 4.320 -0.000 0.000 0.310 49 K C 1.952 178.554 176.600 0.002 0.000 0.992 49 K CA 0.048 56.305 56.287 -0.051 0.000 1.207 49 K CB -0.489 31.959 32.500 -0.086 0.000 1.478 49 K HN 0.099 nan 8.250 nan 0.000 0.601 50 V N 0.708 120.650 119.914 0.047 0.000 2.446 50 V HA 0.007 4.127 4.120 -0.000 0.000 0.244 50 V C 1.338 177.482 176.094 0.084 0.000 1.039 50 V CA 0.862 63.205 62.300 0.070 0.000 1.045 50 V CB -0.230 31.649 31.823 0.094 0.000 0.681 50 V HN 0.412 nan 8.190 nan 0.000 0.459 51 I N 2.557 123.205 120.570 0.129 0.000 2.352 51 I HA 0.162 4.332 4.170 -0.000 0.000 0.303 51 I C 0.337 176.550 176.117 0.160 0.000 1.194 51 I CA 0.673 62.071 61.300 0.164 0.000 1.518 51 I CB -0.675 37.470 38.000 0.242 0.000 1.489 51 I HN 0.237 nan 8.210 nan 0.000 0.702 52 R N 2.468 123.024 120.500 0.094 0.000 2.740 52 R HA 0.269 4.609 4.340 -0.000 0.000 0.273 52 R C -0.869 175.462 176.300 0.052 0.000 0.998 52 R CA -1.206 54.938 56.100 0.073 0.000 0.900 52 R CB 1.719 32.046 30.300 0.044 0.000 1.223 52 R HN 0.233 nan 8.270 nan 0.000 0.466 53 D N 0.434 120.860 120.400 0.043 0.000 2.662 53 D HA 0.016 4.656 4.640 -0.000 0.000 0.233 53 D C 1.221 177.536 176.300 0.025 0.000 1.129 53 D CA 2.607 56.625 54.000 0.030 0.000 0.851 53 D CB 0.369 41.183 40.800 0.024 0.000 1.152 53 D HN 0.693 nan 8.370 nan 0.000 0.507 54 G N 2.746 111.560 108.800 0.022 0.000 2.267 54 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.257 54 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.257 54 G C 0.840 175.754 174.900 0.023 0.000 0.998 54 G CA 0.935 46.047 45.100 0.020 0.000 0.620 54 G HN 0.523 nan 8.290 nan 0.000 0.529 55 M N -0.687 118.930 119.600 0.029 0.000 2.094 55 M HA 0.450 4.930 4.480 -0.000 0.000 0.163 55 M C 2.494 178.817 176.300 0.038 0.000 1.495 55 M CA 1.072 56.391 55.300 0.032 0.000 1.481 55 M CB -0.328 32.292 32.600 0.035 0.000 0.856 55 M HN 0.130 nan 8.290 nan 0.000 0.650 56 G N -0.035 108.794 108.800 0.049 0.000 2.848 56 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.208 56 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.208 56 G C 0.350 175.280 174.900 0.050 0.000 1.152 56 G CA 0.085 45.217 45.100 0.054 0.000 0.789 56 G HN 0.462 nan 8.290 nan 0.000 0.531 57 Q N 0.072 119.899 119.800 0.045 0.000 2.333 57 Q HA 0.564 4.904 4.340 -0.000 0.000 0.267 57 Q C 0.157 176.171 176.000 0.023 0.000 1.012 57 Q CA -0.698 55.125 55.803 0.035 0.000 0.824 57 Q CB 1.686 30.450 28.738 0.042 0.000 1.290 57 Q HN 0.129 nan 8.270 nan 0.000 0.449 58 G N 1.294 110.102 108.800 0.014 0.000 2.532 58 G HA2 0.135 4.095 3.960 -0.000 0.000 0.291 58 G HA3 0.135 4.095 3.960 -0.000 0.000 0.291 58 G C 0.047 174.950 174.900 0.004 0.000 1.349 58 G CA -0.225 44.881 45.100 0.010 0.000 1.038 58 G HN 0.678 nan 8.290 nan 0.000 0.518 59 Q N -0.113 119.688 119.800 0.003 0.000 2.247 59 Q HA 0.092 4.432 4.340 -0.000 0.000 0.204 59 Q C 1.059 177.056 176.000 -0.005 0.000 0.872 59 Q CA -0.286 55.517 55.803 0.000 0.000 0.951 59 Q CB 0.190 28.930 28.738 0.003 0.000 1.099 59 Q HN 0.646 nan 8.270 nan 0.000 0.501 60 M N -0.511 119.084 119.600 -0.008 0.000 2.232 60 M HA 0.243 4.723 4.480 -0.000 0.000 0.321 60 M C 0.019 176.308 176.300 -0.020 0.000 1.101 60 M CA -0.025 55.267 55.300 -0.013 0.000 1.181 60 M CB 0.195 32.786 32.600 -0.015 0.000 1.432 60 M HN -0.094 nan 8.290 nan 0.000 0.457 61 L N 2.089 123.300 121.223 -0.020 0.000 2.475 61 L HA 0.267 4.607 4.340 -0.000 0.000 0.253 61 L C 1.912 178.760 176.870 -0.036 0.000 1.198 61 L CA -0.158 54.667 54.840 -0.024 0.000 0.814 61 L CB 0.277 42.325 42.059 -0.018 0.000 1.134 61 L HN 1.014 nan 8.230 nan 0.000 0.478 62 A N 1.418 124.215 122.820 -0.040 0.000 1.948 62 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 62 A C 2.270 179.816 177.584 -0.064 0.000 1.177 62 A CA 2.074 54.078 52.037 -0.054 0.000 0.636 62 A CB -0.848 18.124 19.000 -0.047 0.000 0.815 62 A HN 0.911 nan 8.150 nan 0.000 0.449 63 A N -0.710 122.083 122.820 -0.045 0.000 2.070 63 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 63 A C 1.342 178.895 177.584 -0.053 0.000 1.159 63 A CA 1.662 53.674 52.037 -0.040 0.000 0.656 63 A CB -0.285 18.705 19.000 -0.017 0.000 0.800 63 A HN 0.479 nan 8.150 nan 0.000 0.453 64 D N -1.092 119.275 120.400 -0.054 0.000 2.368 64 D HA 0.195 4.835 4.640 -0.000 0.000 0.218 64 D C 0.292 176.535 176.300 -0.095 0.000 1.112 64 D CA 0.571 54.540 54.000 -0.052 0.000 0.834 64 D CB -0.089 40.700 40.800 -0.019 0.000 0.953 64 D HN 0.610 nan 8.370 nan 0.000 0.505 65 C N -1.101 118.112 119.300 -0.144 0.000 3.171 65 C HA 0.783 5.243 4.460 -0.000 0.000 0.308 65 C C 0.384 175.210 174.990 -0.273 0.000 1.334 65 C CA -1.193 57.716 59.018 -0.181 0.000 1.473 65 C CB 1.119 28.797 27.740 -0.104 0.000 1.866 65 C HN 0.012 nan 8.230 nan 0.000 0.465 66 V N -0.078 119.657 119.914 -0.298 0.000 3.003 66 V HA 0.410 4.530 4.120 -0.000 0.000 0.305 66 V C 0.495 176.494 176.094 -0.159 0.000 1.078 66 V CA 0.417 62.538 62.300 -0.299 0.000 1.083 66 V CB 0.648 32.324 31.823 -0.246 0.000 1.039 66 V HN 0.908 nan 8.190 nan 0.000 0.481 67 D N 0.662 120.989 120.400 -0.121 0.000 2.249 67 D HA 0.197 4.837 4.640 -0.000 0.000 0.205 67 D C 0.156 176.417 176.300 -0.065 0.000 0.962 67 D CA 1.088 55.039 54.000 -0.081 0.000 0.860 67 D CB 0.729 41.494 40.800 -0.058 0.000 0.955 67 D HN 0.490 nan 8.370 nan 0.000 0.505 68 L N 0.104 121.297 121.223 -0.050 0.000 2.472 68 L HA 0.465 4.804 4.340 -0.000 0.000 0.260 68 L C -1.798 175.067 176.870 -0.010 0.000 0.963 68 L CA -0.846 53.975 54.840 -0.033 0.000 0.829 68 L CB 2.564 44.616 42.059 -0.013 0.000 1.348 68 L HN -0.277 nan 8.230 nan 0.000 0.408 69 V N 5.579 125.487 119.914 -0.010 0.000 2.638 69 V HA 0.632 4.752 4.120 -0.000 0.000 0.306 69 V C -1.382 174.730 176.094 0.030 0.000 1.052 69 V CA -0.471 61.842 62.300 0.022 0.000 0.885 69 V CB 2.026 33.861 31.823 0.021 0.000 0.999 69 V HN 0.723 nan 8.190 nan 0.000 0.424 70 L N 6.482 127.740 121.223 0.059 0.000 2.264 70 L HA 0.503 4.843 4.340 -0.000 0.000 0.287 70 L C 0.671 177.592 176.870 0.084 0.000 1.039 70 L CA 0.086 54.967 54.840 0.068 0.000 0.829 70 L CB 1.605 43.712 42.059 0.081 0.000 1.211 70 L HN 0.853 nan 8.230 nan 0.000 0.427 71 T N -0.224 114.381 114.554 0.086 0.000 2.869 71 T HA 0.245 4.595 4.350 -0.000 0.000 0.295 71 T C 0.598 175.371 174.700 0.122 0.000 0.987 71 T CA -0.675 61.489 62.100 0.106 0.000 1.109 71 T CB 0.443 69.382 68.868 0.119 0.000 0.932 71 T HN 0.601 nan 8.240 nan 0.000 0.518 72 N N 0.116 118.894 118.700 0.130 0.000 2.725 72 N HA -0.157 4.583 4.740 -0.000 0.000 0.251 72 N C -0.010 175.583 175.510 0.137 0.000 1.031 72 N CA 0.839 53.977 53.050 0.147 0.000 0.720 72 N CB -1.652 36.950 38.487 0.192 0.000 0.930 72 N HN 1.118 nan 8.380 nan 0.000 0.543 73 A N 0.155 123.051 122.820 0.127 0.000 2.327 73 A HA 0.559 4.879 4.320 -0.000 0.000 0.283 73 A C 0.426 178.082 177.584 0.119 0.000 1.127 73 A CA -0.546 51.566 52.037 0.125 0.000 0.810 73 A CB 0.809 19.885 19.000 0.127 0.000 1.066 73 A HN 0.317 nan 8.150 nan 0.000 0.492 74 L N 4.139 125.427 121.223 0.109 0.000 2.272 74 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 74 L C -0.487 176.420 176.870 0.061 0.000 1.045 74 L CA -0.169 54.718 54.840 0.079 0.000 0.842 74 L CB -0.162 41.932 42.059 0.059 0.000 1.224 74 L HN 0.553 nan 8.230 nan 0.000 0.430 75 I N 5.345 125.940 120.570 0.041 0.000 2.441 75 I HA 0.242 4.412 4.170 -0.000 0.000 0.287 75 I C -0.382 175.661 176.117 -0.124 0.000 1.049 75 I CA -0.451 60.846 61.300 -0.004 0.000 1.381 75 I CB 1.171 39.172 38.000 0.002 0.000 1.409 75 I HN 0.243 nan 8.210 nan 0.000 0.523 76 V N 5.701 125.554 119.914 -0.103 0.000 2.409 76 V HA 0.431 4.551 4.120 -0.000 0.000 0.290 76 V C -0.595 175.398 176.094 -0.168 0.000 1.017 76 V CA -0.329 61.879 62.300 -0.153 0.000 0.841 76 V CB 1.535 33.295 31.823 -0.104 0.000 1.003 76 V HN 0.696 nan 8.190 nan 0.000 0.426 77 D N 0.832 120.993 120.400 -0.398 0.000 2.626 77 D HA 0.305 4.945 4.640 -0.000 0.000 0.278 77 D C 0.812 176.868 176.300 -0.407 0.000 1.211 77 D CA -0.414 53.325 54.000 -0.435 0.000 0.903 77 D CB 1.513 41.828 40.800 -0.808 0.000 1.408 77 D HN 0.687 nan 8.370 nan 0.000 0.454 78 H N -0.192 118.790 119.070 -0.146 0.000 2.489 78 H HA -0.040 4.516 4.556 -0.000 0.000 0.293 78 H C 1.391 176.823 175.328 0.172 0.000 1.066 78 H CA 1.727 57.814 56.048 0.065 0.000 1.305 78 H CB -0.299 29.529 29.762 0.110 0.000 1.386 78 H HN 0.495 nan 8.280 nan 0.000 0.551 79 W N 0.351 121.500 121.300 -0.251 0.000 3.077 79 W HA 0.596 5.256 4.660 -0.000 0.000 0.266 79 W C -0.140 176.396 176.519 0.029 0.000 1.300 79 W CA 0.151 57.459 57.345 -0.062 0.000 1.586 79 W CB 0.169 29.505 29.460 -0.207 0.000 1.103 79 W HN 0.389 nan 8.180 nan 0.000 0.652 80 G N 0.961 109.523 108.800 -0.397 0.000 2.325 80 G HA2 0.402 4.362 3.960 -0.000 0.000 0.297 80 G HA3 0.402 4.362 3.960 -0.000 0.000 0.297 80 G C -2.086 172.551 174.900 -0.438 0.000 1.448 80 G CA -1.080 43.878 45.100 -0.236 0.000 0.838 80 G HN 0.048 nan 8.290 nan 0.000 0.579 81 I N 1.479 121.934 120.570 -0.190 0.000 2.495 81 I HA 0.481 4.651 4.170 -0.000 0.000 0.277 81 I C 0.144 176.225 176.117 -0.059 0.000 1.045 81 I CA -0.948 60.259 61.300 -0.155 0.000 1.135 81 I CB 1.406 39.348 38.000 -0.097 0.000 1.241 81 I HN 0.577 nan 8.210 nan 0.000 0.469 82 V N 2.210 122.096 119.914 -0.047 0.000 3.102 82 V HA 0.675 4.795 4.120 -0.000 0.000 0.312 82 V C -0.722 175.418 176.094 0.076 0.000 1.135 82 V CA -1.054 61.280 62.300 0.056 0.000 1.022 82 V CB 2.223 34.138 31.823 0.152 0.000 1.056 82 V HN 0.522 nan 8.190 nan 0.000 0.436 83 K N 1.729 122.188 120.400 0.098 0.000 2.213 83 K HA 0.909 5.229 4.320 -0.000 0.000 0.270 83 K C -0.462 176.205 176.600 0.112 0.000 1.002 83 K CA 0.647 57.000 56.287 0.111 0.000 0.868 83 K CB 0.948 33.525 32.500 0.128 0.000 1.093 83 K HN 1.624 nan 8.250 nan 0.000 0.454 84 A N 3.175 126.067 122.820 0.120 0.000 2.566 84 A HA 0.433 4.753 4.320 -0.000 0.000 0.290 84 A C -1.734 175.918 177.584 0.115 0.000 1.071 84 A CA -0.950 51.154 52.037 0.112 0.000 0.658 84 A CB 0.803 19.882 19.000 0.131 0.000 1.285 84 A HN 0.658 nan 8.150 nan 0.000 0.427 85 D N 0.442 120.903 120.400 0.102 0.000 2.193 85 D HA 0.604 5.244 4.640 -0.000 0.000 0.249 85 D C -0.614 175.755 176.300 0.115 0.000 1.034 85 D CA 0.321 54.383 54.000 0.103 0.000 0.902 85 D CB 1.457 42.311 40.800 0.089 0.000 1.182 85 D HN 0.428 nan 8.370 nan 0.000 0.436 86 I N 0.822 121.463 120.570 0.118 0.000 2.406 86 I HA 0.374 4.544 4.170 -0.000 0.000 0.290 86 I C 0.662 176.856 176.117 0.128 0.000 0.999 86 I CA -0.774 60.605 61.300 0.131 0.000 1.124 86 I CB 2.085 40.166 38.000 0.136 0.000 1.289 86 I HN 0.196 nan 8.210 nan 0.000 0.441 87 G N 5.396 114.297 108.800 0.168 0.000 2.356 87 G HA2 0.620 4.580 3.960 -0.000 0.000 0.322 87 G HA3 0.620 4.580 3.960 -0.000 0.000 0.322 87 G C -0.973 174.048 174.900 0.202 0.000 1.125 87 G CA -0.355 44.854 45.100 0.182 0.000 0.885 87 G HN 0.335 nan 8.290 nan 0.000 0.467 88 V N 2.011 121.995 119.914 0.116 0.000 2.487 88 V HA 0.610 4.730 4.120 -0.000 0.000 0.298 88 V C -0.114 176.007 176.094 0.046 0.000 1.028 88 V CA -0.809 61.557 62.300 0.111 0.000 0.860 88 V CB 1.766 33.636 31.823 0.079 0.000 0.991 88 V HN 0.808 nan 8.190 nan 0.000 0.427 89 K N 3.116 123.562 120.400 0.076 0.000 2.482 89 K HA 0.421 4.741 4.320 -0.000 0.000 0.251 89 K C -0.729 175.907 176.600 0.061 0.000 0.936 89 K CA -0.473 55.815 56.287 0.002 0.000 0.791 89 K CB 1.385 33.811 32.500 -0.124 0.000 1.213 89 K HN 0.682 nan 8.250 nan 0.000 0.428 90 D N 3.098 123.523 120.400 0.042 0.000 2.870 90 D HA -0.176 4.464 4.640 -0.000 0.000 0.228 90 D C 0.586 176.943 176.300 0.096 0.000 1.147 90 D CA 1.789 55.834 54.000 0.074 0.000 0.757 90 D CB -1.165 39.681 40.800 0.077 0.000 1.091 90 D HN 1.108 nan 8.370 nan 0.000 0.429 91 G N -0.475 108.378 108.800 0.089 0.000 2.184 91 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.264 91 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.264 91 G C 0.367 175.318 174.900 0.085 0.000 0.975 91 G CA 0.781 45.936 45.100 0.092 0.000 0.642 91 G HN 0.544 nan 8.290 nan 0.000 0.536 92 R N -0.918 119.640 120.500 0.096 0.000 2.854 92 R HA 0.646 4.986 4.340 -0.000 0.000 0.271 92 R C 0.106 176.486 176.300 0.133 0.000 0.996 92 R CA -1.201 54.962 56.100 0.105 0.000 0.961 92 R CB 1.345 31.704 30.300 0.098 0.000 1.182 92 R HN 0.156 nan 8.270 nan 0.000 0.479 93 I N 2.491 123.135 120.570 0.124 0.000 2.581 93 I HA -0.078 4.092 4.170 -0.000 0.000 0.285 93 I C 0.932 177.140 176.117 0.152 0.000 1.129 93 I CA 0.334 61.716 61.300 0.136 0.000 1.397 93 I CB 0.206 38.273 38.000 0.111 0.000 1.399 93 I HN 0.602 nan 8.210 nan 0.000 0.537 94 F N 6.991 126.963 119.950 0.036 0.000 2.147 94 F HA 0.398 4.925 4.527 -0.000 0.000 0.291 94 F C 1.021 176.832 175.800 0.018 0.000 1.093 94 F CA 0.751 58.766 58.000 0.026 0.000 1.263 94 F CB 0.301 39.315 39.000 0.024 0.000 1.036 94 F HN 0.463 nan 8.300 nan 0.000 0.481 95 A N -0.303 122.543 122.820 0.044 0.000 2.597 95 A HA 0.588 4.908 4.320 -0.000 0.000 0.292 95 A C -1.652 175.967 177.584 0.059 0.000 1.057 95 A CA -0.587 51.408 52.037 -0.070 0.000 0.674 95 A CB 0.424 19.335 19.000 -0.149 0.000 1.278 95 A HN 0.101 nan 8.150 nan 0.000 0.416 96 I N 1.484 122.064 120.570 0.017 0.000 2.411 96 I HA 0.634 4.804 4.170 -0.000 0.000 0.284 96 I C 0.695 176.840 176.117 0.045 0.000 1.012 96 I CA 0.328 61.668 61.300 0.066 0.000 1.119 96 I CB 1.616 39.657 38.000 0.069 0.000 1.261 96 I HN 1.088 nan 8.210 nan 0.000 0.448 97 G N 5.390 114.232 108.800 0.069 0.000 2.818 97 G HA2 0.218 4.178 3.960 -0.000 0.000 0.109 97 G HA3 0.218 4.178 3.960 -0.000 0.000 0.109 97 G C -1.507 173.425 174.900 0.053 0.000 1.206 97 G CA -0.373 44.756 45.100 0.049 0.000 1.243 97 G HN 0.277 nan 8.290 nan 0.000 0.609 98 K N 1.146 121.573 120.400 0.044 0.000 2.394 98 K HA 0.719 5.039 4.320 -0.000 0.000 0.260 98 K C -0.332 176.299 176.600 0.051 0.000 0.967 98 K CA -0.276 56.033 56.287 0.036 0.000 0.855 98 K CB 1.136 33.642 32.500 0.011 0.000 1.101 98 K HN 0.763 nan 8.250 nan 0.000 0.433 99 A N 2.433 125.287 122.820 0.057 0.000 2.279 99 A HA 0.862 5.182 4.320 -0.000 0.000 0.303 99 A C 0.344 177.957 177.584 0.048 0.000 1.108 99 A CA 0.391 52.464 52.037 0.060 0.000 0.830 99 A CB 0.857 19.895 19.000 0.065 0.000 1.106 99 A HN 0.904 nan 8.150 nan 0.000 0.493 100 G N 0.097 108.923 108.800 0.044 0.000 2.332 100 G HA2 0.273 4.233 3.960 -0.000 0.000 0.265 100 G HA3 0.273 4.233 3.960 -0.000 0.000 0.265 100 G C -1.474 173.446 174.900 0.032 0.000 1.329 100 G CA -0.261 44.863 45.100 0.040 0.000 0.949 100 G HN 1.085 nan 8.290 nan 0.000 0.476 101 N N 0.923 119.641 118.700 0.030 0.000 2.476 101 N HA 0.614 5.354 4.740 -0.000 0.000 0.257 101 N C -1.618 173.905 175.510 0.023 0.000 0.970 101 N CA -2.307 50.758 53.050 0.025 0.000 0.938 101 N CB 2.426 40.928 38.487 0.025 0.000 1.144 101 N HN 0.022 nan 8.380 nan 0.000 0.500 102 P HA -0.039 nan 4.420 nan 0.000 0.222 102 P C 0.245 177.555 177.300 0.018 0.000 1.147 102 P CA 0.847 63.959 63.100 0.021 0.000 0.790 102 P CB 0.434 32.147 31.700 0.022 0.000 0.780 103 D N -0.743 119.667 120.400 0.017 0.000 2.178 103 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 103 D C 1.665 177.975 176.300 0.016 0.000 0.980 103 D CA 1.211 55.221 54.000 0.015 0.000 0.842 103 D CB -0.146 40.662 40.800 0.014 0.000 0.948 103 D HN 0.359 nan 8.370 nan 0.000 0.472 104 I N -3.867 116.713 120.570 0.018 0.000 4.655 104 I HA 0.235 4.405 4.170 -0.000 0.000 0.333 104 I C 0.023 176.152 176.117 0.019 0.000 1.312 104 I CA -0.418 60.892 61.300 0.018 0.000 1.270 104 I CB 0.385 38.397 38.000 0.020 0.000 1.318 104 I HN -0.317 nan 8.210 nan 0.000 0.456 105 Q N 3.420 123.231 119.800 0.019 0.000 2.301 105 Q HA 0.568 4.908 4.340 -0.000 0.000 0.267 105 Q C -2.567 173.442 176.000 0.015 0.000 1.035 105 Q CA -1.991 53.823 55.803 0.018 0.000 0.856 105 Q CB 2.089 30.839 28.738 0.020 0.000 1.337 105 Q HN 0.100 nan 8.270 nan 0.000 0.450 106 P HA 0.183 nan 4.420 nan 0.000 0.285 106 P C -1.059 176.243 177.300 0.003 0.000 1.269 106 P CA -0.325 62.779 63.100 0.006 0.000 0.844 106 P CB 0.738 32.441 31.700 0.003 0.000 1.094 107 N N -1.791 116.911 118.700 0.003 0.000 2.725 107 N HA -0.129 4.611 4.740 -0.000 0.000 0.249 107 N C -0.379 175.136 175.510 0.010 0.000 1.103 107 N CA 0.191 53.241 53.050 0.001 0.000 0.707 107 N CB -1.689 36.791 38.487 -0.012 0.000 1.043 107 N HN 0.155 nan 8.380 nan 0.000 0.553 108 V N 0.943 120.869 119.914 0.019 0.000 2.470 108 V HA 0.143 4.263 4.120 -0.000 0.000 0.276 108 V C 1.673 177.794 176.094 0.045 0.000 1.040 108 V CA 0.993 63.312 62.300 0.032 0.000 1.008 108 V CB 1.166 33.009 31.823 0.033 0.000 0.990 108 V HN 0.500 nan 8.190 nan 0.000 0.477 109 T N 1.660 116.249 114.554 0.058 0.000 2.985 109 T HA 0.384 4.734 4.350 -0.000 0.000 0.254 109 T C 0.322 175.114 174.700 0.154 0.000 1.021 109 T CA 0.185 62.332 62.100 0.079 0.000 0.957 109 T CB 0.114 69.008 68.868 0.044 0.000 1.047 109 T HN 0.353 nan 8.240 nan 0.000 0.511 110 I N 3.895 124.548 120.570 0.138 0.000 2.502 110 I HA 0.355 4.525 4.170 -0.000 0.000 0.276 110 I C -2.695 173.470 176.117 0.081 0.000 1.057 110 I CA -2.685 58.717 61.300 0.170 0.000 1.163 110 I CB 1.899 39.994 38.000 0.159 0.000 1.288 110 I HN -0.055 nan 8.210 nan 0.000 0.479 111 P HA 0.211 nan 4.420 nan 0.000 0.271 111 P C -0.494 176.791 177.300 -0.025 0.000 1.220 111 P CA 0.202 63.307 63.100 0.009 0.000 0.768 111 P CB 1.209 32.909 31.700 0.000 0.000 0.848 112 I N 2.741 123.307 120.570 -0.008 0.000 2.336 112 I HA 0.537 4.707 4.170 -0.000 0.000 0.292 112 I C 1.083 177.191 176.117 -0.016 0.000 0.991 112 I CA -0.104 61.187 61.300 -0.015 0.000 1.227 112 I CB 1.771 39.776 38.000 0.008 0.000 1.366 112 I HN 0.433 nan 8.210 nan 0.000 0.466 113 G N 2.899 111.681 108.800 -0.031 0.000 3.086 113 G HA2 0.543 4.503 3.960 -0.000 0.000 0.282 113 G HA3 0.543 4.503 3.960 -0.000 0.000 0.282 113 G C 0.528 175.412 174.900 -0.027 0.000 1.343 113 G CA 0.047 45.132 45.100 -0.025 0.000 0.895 113 G HN 0.600 nan 8.290 nan 0.000 0.557 114 A N -0.758 122.048 122.820 -0.024 0.000 1.978 114 A HA 0.246 4.566 4.320 -0.000 0.000 0.220 114 A C 2.332 179.892 177.584 -0.040 0.000 1.170 114 A CA 2.549 54.571 52.037 -0.024 0.000 0.636 114 A CB -0.622 18.366 19.000 -0.020 0.000 0.810 114 A HN 1.531 nan 8.150 nan 0.000 0.448 115 A N -0.762 122.029 122.820 -0.048 0.000 2.276 115 A HA 0.346 4.666 4.320 -0.000 0.000 0.212 115 A C 0.714 178.256 177.584 -0.071 0.000 1.230 115 A CA 0.578 52.579 52.037 -0.059 0.000 0.844 115 A CB -0.512 18.452 19.000 -0.061 0.000 0.860 115 A HN 0.277 nan 8.150 nan 0.000 0.486 116 T N 0.844 115.355 114.554 -0.071 0.000 2.767 116 T HA 0.429 4.779 4.350 -0.000 0.000 0.284 116 T C -0.300 174.339 174.700 -0.102 0.000 0.973 116 T CA -0.349 61.703 62.100 -0.081 0.000 0.996 116 T CB 1.513 70.340 68.868 -0.069 0.000 0.927 116 T HN 0.453 nan 8.240 nan 0.000 0.456 117 E N 2.391 122.526 120.200 -0.108 0.000 2.283 117 E HA 0.528 4.878 4.350 -0.000 0.000 0.271 117 E C -1.190 175.317 176.600 -0.155 0.000 1.031 117 E CA -0.637 55.676 56.400 -0.145 0.000 0.868 117 E CB 0.911 30.542 29.700 -0.115 0.000 1.094 117 E HN 0.322 nan 8.360 nan 0.000 0.401 118 V N 4.661 124.432 119.914 -0.238 0.000 2.588 118 V HA 0.449 4.568 4.120 -0.000 0.000 0.304 118 V C -0.276 175.727 176.094 -0.151 0.000 1.042 118 V CA -0.671 61.505 62.300 -0.207 0.000 0.877 118 V CB 1.577 33.208 31.823 -0.319 0.000 0.996 118 V HN 0.671 nan 8.190 nan 0.000 0.425 119 I N 3.520 124.057 120.570 -0.056 0.000 2.418 119 I HA 0.596 4.766 4.170 -0.000 0.000 0.287 119 I C 0.382 176.518 176.117 0.031 0.000 1.008 119 I CA -0.648 60.645 61.300 -0.012 0.000 1.104 119 I CB 1.876 39.878 38.000 0.002 0.000 1.264 119 I HN 0.712 nan 8.210 nan 0.000 0.438 120 A N 5.099 127.951 122.820 0.054 0.000 2.350 120 A HA 0.598 4.918 4.320 -0.000 0.000 0.293 120 A C 0.744 178.373 177.584 0.075 0.000 1.231 120 A CA -0.133 51.954 52.037 0.083 0.000 0.883 120 A CB 0.396 19.459 19.000 0.104 0.000 1.133 120 A HN 0.886 nan 8.150 nan 0.000 0.533 121 A N 2.859 125.731 122.820 0.086 0.000 2.430 121 A HA 0.264 4.584 4.320 -0.000 0.000 0.243 121 A C 0.699 178.343 177.584 0.101 0.000 1.254 121 A CA -0.226 51.866 52.037 0.092 0.000 0.914 121 A CB -0.128 18.932 19.000 0.100 0.000 0.998 121 A HN 0.819 nan 8.150 nan 0.000 0.515 122 E N 0.108 120.367 120.200 0.097 0.000 2.417 122 E HA 0.291 4.641 4.350 -0.000 0.000 0.261 122 E C 0.830 177.474 176.600 0.074 0.000 1.000 122 E CA 0.548 57.005 56.400 0.095 0.000 0.919 122 E CB 0.131 29.878 29.700 0.077 0.000 0.955 122 E HN 0.912 nan 8.360 nan 0.000 0.455 123 G N 2.850 111.702 108.800 0.085 0.000 2.176 123 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.253 123 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.253 123 G C -0.040 174.917 174.900 0.095 0.000 0.979 123 G CA 0.287 45.433 45.100 0.077 0.000 0.641 123 G HN 0.481 nan 8.290 nan 0.000 0.530 124 K N -0.171 120.296 120.400 0.111 0.000 2.281 124 K HA 0.749 5.069 4.320 -0.000 0.000 0.242 124 K C -0.081 176.614 176.600 0.159 0.000 0.971 124 K CA -0.884 55.491 56.287 0.147 0.000 0.834 124 K CB 2.093 34.678 32.500 0.143 0.000 1.181 124 K HN 0.199 nan 8.250 nan 0.000 0.435 125 I N 1.449 122.155 120.570 0.227 0.000 2.377 125 I HA 0.260 4.430 4.170 -0.000 0.000 0.293 125 I C -0.453 175.891 176.117 0.379 0.000 0.987 125 I CA -1.046 60.395 61.300 0.236 0.000 1.185 125 I CB 1.773 39.880 38.000 0.178 0.000 1.341 125 I HN 0.013 nan 8.210 nan 0.000 0.455 126 V N 4.773 124.861 119.914 0.290 0.000 2.495 126 V HA 0.605 4.725 4.120 -0.000 0.000 0.298 126 V C 0.086 176.370 176.094 0.317 0.000 1.031 126 V CA -0.386 62.092 62.300 0.296 0.000 0.871 126 V CB 1.936 33.873 31.823 0.190 0.000 0.988 126 V HN 0.904 nan 8.190 nan 0.000 0.432 127 T N 1.473 116.267 114.554 0.399 0.000 2.887 127 T HA 0.872 5.222 4.350 -0.000 0.000 0.292 127 T C -0.118 174.767 174.700 0.308 0.000 1.087 127 T CA -0.371 61.955 62.100 0.377 0.000 1.009 127 T CB 1.942 71.150 68.868 0.568 0.000 1.203 127 T HN 0.999 nan 8.240 nan 0.000 0.518 128 A N 0.306 123.288 122.820 0.270 0.000 2.366 128 A HA 0.702 5.022 4.320 -0.000 0.000 0.249 128 A C 0.948 178.692 177.584 0.268 0.000 1.084 128 A CA -0.152 52.026 52.037 0.235 0.000 0.794 128 A CB -0.606 18.521 19.000 0.213 0.000 1.034 128 A HN 1.370 nan 8.150 nan 0.000 0.491 129 G N -0.221 108.711 108.800 0.219 0.000 2.483 129 G HA2 0.477 4.437 3.960 -0.000 0.000 0.248 129 G HA3 0.477 4.437 3.960 -0.000 0.000 0.248 129 G C 0.533 175.594 174.900 0.268 0.000 1.248 129 G CA 0.198 45.431 45.100 0.222 0.000 0.838 129 G HN 1.133 nan 8.290 nan 0.000 0.566 130 G N -0.519 108.473 108.800 0.320 0.000 2.594 130 G HA2 0.456 4.416 3.960 -0.000 0.000 0.243 130 G HA3 0.456 4.416 3.960 -0.000 0.000 0.243 130 G C -0.272 174.778 174.900 0.250 0.000 1.229 130 G CA -0.536 44.794 45.100 0.384 0.000 0.843 130 G HN 0.635 nan 8.290 nan 0.000 0.578 131 I N 1.095 121.810 120.570 0.241 0.000 2.468 131 I HA 0.165 4.335 4.170 -0.000 0.000 0.284 131 I C -1.252 174.950 176.117 0.142 0.000 1.038 131 I CA -0.708 60.692 61.300 0.167 0.000 1.083 131 I CB 2.039 40.123 38.000 0.140 0.000 1.223 131 I HN 0.311 nan 8.210 nan 0.000 0.443 132 D N 4.703 125.162 120.400 0.098 0.000 2.329 132 D HA 0.200 4.840 4.640 -0.000 0.000 0.232 132 D C 0.872 177.192 176.300 0.033 0.000 1.088 132 D CA -0.160 53.874 54.000 0.058 0.000 0.835 132 D CB 1.546 42.350 40.800 0.006 0.000 1.078 132 D HN 0.609 nan 8.370 nan 0.000 0.495 133 T N 0.347 114.942 114.554 0.068 0.000 3.186 133 T HA 0.122 4.471 4.350 -0.000 0.000 0.257 133 T C 0.549 175.273 174.700 0.040 0.000 1.029 133 T CA -0.149 61.974 62.100 0.038 0.000 0.916 133 T CB -0.458 68.493 68.868 0.140 0.000 1.041 133 T HN 0.485 nan 8.240 nan 0.000 0.562 134 H N 0.646 119.605 119.070 -0.185 0.000 2.439 134 H HA 0.450 5.006 4.556 -0.000 0.000 0.230 134 H C -0.841 174.303 175.328 -0.307 0.000 1.420 134 H CA -0.935 54.860 56.048 -0.421 0.000 1.305 134 H CB -0.079 29.269 29.762 -0.691 0.000 1.667 134 H HN 0.190 nan 8.280 nan 0.000 0.515 135 I N 2.101 122.566 120.570 -0.174 0.000 2.385 135 I HA 0.138 4.308 4.170 -0.000 0.000 0.294 135 I C 0.245 176.117 176.117 -0.409 0.000 0.988 135 I CA -0.302 60.775 61.300 -0.371 0.000 1.265 135 I CB 1.133 38.660 38.000 -0.789 0.000 1.388 135 I HN 0.562 nan 8.210 nan 0.000 0.480 136 H N 5.517 124.410 119.070 -0.296 0.000 2.623 136 H HA 0.134 4.690 4.556 -0.000 0.000 0.299 136 H C -0.765 174.467 175.328 -0.159 0.000 1.052 136 H CA -0.352 55.615 56.048 -0.133 0.000 1.231 136 H CB 0.634 30.385 29.762 -0.019 0.000 1.389 136 H HN 0.558 nan 8.280 nan 0.000 0.469 137 W N 5.432 126.808 121.300 0.127 0.000 1.539 137 W HA 0.117 4.777 4.660 -0.000 0.000 0.502 137 W C 1.023 177.588 176.519 0.077 0.000 0.689 137 W CA -0.283 57.113 57.345 0.085 0.000 2.088 137 W CB -0.333 29.159 29.460 0.053 0.000 1.686 137 W HN 0.635 nan 8.180 nan 0.000 0.211 138 I N 1.207 121.936 120.570 0.267 0.000 2.584 138 I HA -0.072 4.098 4.170 -0.000 0.000 0.255 138 I C 1.078 177.301 176.117 0.177 0.000 1.145 138 I CA 0.625 62.041 61.300 0.192 0.000 1.462 138 I CB -0.098 38.013 38.000 0.185 0.000 1.102 138 I HN 0.244 nan 8.210 nan 0.000 0.433 139 C N -2.292 117.132 119.300 0.207 0.000 3.171 139 C HA 0.377 4.837 4.460 -0.000 0.000 0.336 139 C C -1.964 173.154 174.990 0.213 0.000 1.198 139 C CA -1.330 57.788 59.018 0.167 0.000 1.319 139 C CB 1.233 29.043 27.740 0.116 0.000 1.682 139 C HN -0.049 nan 8.230 nan 0.000 0.497 140 P HA -0.065 nan 4.420 nan 0.000 0.223 140 P C 1.066 178.455 177.300 0.147 0.000 1.151 140 P CA 1.510 64.699 63.100 0.148 0.000 0.787 140 P CB 0.228 31.966 31.700 0.063 0.000 0.788 141 Q N 0.219 120.086 119.800 0.112 0.000 2.297 141 Q HA -0.140 4.200 4.340 -0.000 0.000 0.208 141 Q C 2.367 178.424 176.000 0.095 0.000 0.981 141 Q CA 1.306 57.160 55.803 0.085 0.000 0.876 141 Q CB -0.882 27.892 28.738 0.059 0.000 0.921 141 Q HN 0.442 nan 8.270 nan 0.000 0.446 142 Q N -0.519 119.360 119.800 0.130 0.000 2.181 142 Q HA -0.156 4.184 4.340 -0.000 0.000 0.205 142 Q C 2.001 178.075 176.000 0.124 0.000 0.980 142 Q CA 1.259 57.125 55.803 0.105 0.000 0.862 142 Q CB -0.219 28.577 28.738 0.097 0.000 0.905 142 Q HN 0.501 nan 8.270 nan 0.000 0.429 143 A N 1.033 123.979 122.820 0.210 0.000 1.902 143 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 143 A C 1.878 179.524 177.584 0.103 0.000 1.181 143 A CA 1.657 53.813 52.037 0.198 0.000 0.623 143 A CB -0.460 18.677 19.000 0.227 0.000 0.818 143 A HN 0.436 nan 8.150 nan 0.000 0.443 144 E N -0.672 119.575 120.200 0.077 0.000 2.107 144 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 144 E C 1.945 178.552 176.600 0.011 0.000 0.982 144 E CA 1.208 57.633 56.400 0.042 0.000 0.809 144 E CB -0.079 29.646 29.700 0.042 0.000 0.756 144 E HN 0.569 nan 8.360 nan 0.000 0.459 145 E N 0.407 120.615 120.200 0.015 0.000 2.051 145 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 145 E C 1.744 178.326 176.600 -0.030 0.000 0.991 145 E CA 1.572 57.964 56.400 -0.014 0.000 0.799 145 E CB -0.285 29.411 29.700 -0.007 0.000 0.748 145 E HN 0.350 nan 8.360 nan 0.000 0.449 146 A N 0.105 122.922 122.820 -0.005 0.000 1.898 146 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 146 A C 2.184 179.765 177.584 -0.005 0.000 1.181 146 A CA 1.347 53.382 52.037 -0.005 0.000 0.620 146 A CB -0.749 18.261 19.000 0.016 0.000 0.819 146 A HN 0.351 nan 8.150 nan 0.000 0.442 147 L N -0.061 121.165 121.223 0.005 0.000 2.042 147 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 147 L C 2.384 179.211 176.870 -0.071 0.000 1.076 147 L CA 1.812 56.650 54.840 -0.005 0.000 0.749 147 L CB -0.432 41.636 42.059 0.016 0.000 0.893 147 L HN 0.156 nan 8.230 nan 0.000 0.432 148 V N -0.424 119.412 119.914 -0.129 0.000 2.490 148 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 148 V C 2.647 178.561 176.094 -0.299 0.000 1.061 148 V CA 1.683 63.789 62.300 -0.322 0.000 1.064 148 V CB -0.813 30.746 31.823 -0.439 0.000 0.670 148 V HN 0.770 nan 8.190 nan 0.000 0.461 149 S N -0.340 115.277 115.700 -0.137 0.000 2.489 149 S HA 0.198 4.668 4.470 -0.000 0.000 0.228 149 S C 1.575 176.204 174.600 0.048 0.000 0.995 149 S CA 0.945 59.124 58.200 -0.035 0.000 0.934 149 S CB 0.562 63.754 63.200 -0.013 0.000 0.771 149 S HN 1.169 nan 8.310 nan 0.000 0.522 150 G N -0.225 108.566 108.800 -0.016 0.000 2.159 150 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.170 150 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.170 150 G C -0.204 174.763 174.900 0.113 0.000 1.007 150 G CA -0.194 44.922 45.100 0.027 0.000 0.672 150 G HN 0.592 nan 8.290 nan 0.000 0.507 151 V N 2.078 122.037 119.914 0.076 0.000 2.370 151 V HA 0.565 4.685 4.120 -0.000 0.000 0.279 151 V C 1.398 177.551 176.094 0.100 0.000 1.029 151 V CA 0.678 63.040 62.300 0.104 0.000 0.870 151 V CB 1.355 33.218 31.823 0.068 0.000 0.984 151 V HN 0.584 nan 8.190 nan 0.000 0.451 152 T N -0.215 114.416 114.554 0.128 0.000 3.023 152 T HA 0.160 4.510 4.350 -0.000 0.000 0.253 152 T C 0.595 175.387 174.700 0.153 0.000 1.038 152 T CA -0.046 62.128 62.100 0.124 0.000 0.962 152 T CB 0.252 69.190 68.868 0.117 0.000 1.018 152 T HN 0.532 nan 8.240 nan 0.000 0.521 153 T N 2.352 117.009 114.554 0.172 0.000 2.881 153 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 153 T C -1.045 173.766 174.700 0.185 0.000 1.000 153 T CA -0.574 61.654 62.100 0.213 0.000 0.978 153 T CB 1.752 70.762 68.868 0.237 0.000 0.997 153 T HN 0.190 nan 8.240 nan 0.000 0.443 154 M N 3.159 122.898 119.600 0.232 0.000 2.151 154 M HA 0.529 5.009 4.480 -0.000 0.000 0.290 154 M C -1.159 175.283 176.300 0.237 0.000 0.965 154 M CA -0.842 54.567 55.300 0.181 0.000 0.930 154 M CB 2.237 34.960 32.600 0.205 0.000 1.560 154 M HN 0.234 nan 8.290 nan 0.000 0.438 155 V N 2.535 122.498 119.914 0.081 0.000 2.495 155 V HA 1.005 5.125 4.120 -0.000 0.000 0.298 155 V C 0.255 176.333 176.094 -0.026 0.000 1.031 155 V CA -0.155 62.178 62.300 0.056 0.000 0.871 155 V CB 1.598 33.340 31.823 -0.134 0.000 0.988 155 V HN 1.073 nan 8.190 nan 0.000 0.432 156 G N 2.961 111.800 108.800 0.066 0.000 2.364 156 G HA2 0.680 4.640 3.960 -0.000 0.000 0.286 156 G HA3 0.680 4.640 3.960 -0.000 0.000 0.286 156 G C -0.619 174.366 174.900 0.142 0.000 1.241 156 G CA 0.129 45.196 45.100 -0.055 0.000 0.887 156 G HN 1.114 nan 8.290 nan 0.000 0.484 157 G N -2.066 106.782 108.800 0.079 0.000 2.692 157 G HA2 0.982 4.942 3.960 -0.000 0.000 0.291 157 G HA3 0.982 4.942 3.960 -0.000 0.000 0.291 157 G C -0.266 174.805 174.900 0.285 0.000 1.423 157 G CA 0.373 45.637 45.100 0.272 0.000 0.843 157 G HN 2.242 nan 8.290 nan 0.000 0.486 158 G N -1.727 107.253 108.800 0.300 0.000 2.352 158 G HA2 0.528 4.488 3.960 -0.000 0.000 0.302 158 G HA3 0.528 4.488 3.960 -0.000 0.000 0.302 158 G C 0.107 175.089 174.900 0.136 0.000 1.370 158 G CA 0.923 46.158 45.100 0.225 0.000 0.918 158 G HN 1.766 nan 8.290 nan 0.000 0.610 159 T N -2.966 111.605 114.554 0.029 0.000 3.087 159 T HA 0.643 4.993 4.350 -0.000 0.000 0.283 159 T C 1.231 175.942 174.700 0.017 0.000 0.956 159 T CA 1.247 63.317 62.100 -0.051 0.000 0.894 159 T CB 0.459 69.069 68.868 -0.431 0.000 1.160 159 T HN 2.728 nan 8.240 nan 0.000 0.532 160 G N 2.418 111.250 108.800 0.053 0.000 2.298 160 G HA2 0.166 4.126 3.960 -0.000 0.000 0.309 160 G HA3 0.166 4.126 3.960 -0.000 0.000 0.309 160 G C -2.953 171.935 174.900 -0.020 0.000 1.279 160 G CA -0.420 44.713 45.100 0.056 0.000 1.042 160 G HN 0.069 nan 8.290 nan 0.000 0.480 161 P HA 0.482 nan 4.420 nan 0.000 0.226 161 P C 0.039 177.136 177.300 -0.338 0.000 1.783 161 P CA 0.998 64.022 63.100 -0.127 0.000 0.980 161 P CB 0.081 31.849 31.700 0.113 0.000 1.967 162 A N 1.250 123.798 122.820 -0.454 0.000 2.337 162 A HA 0.652 4.972 4.320 -0.000 0.000 0.331 162 A C 1.574 178.911 177.584 -0.411 0.000 1.137 162 A CA -0.209 51.646 52.037 -0.305 0.000 0.807 162 A CB 1.129 20.040 19.000 -0.149 0.000 1.250 162 A HN 0.220 nan 8.150 nan 0.000 0.468 163 A N 1.383 124.106 122.820 -0.160 0.000 1.917 163 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 163 A C 2.170 179.788 177.584 0.057 0.000 1.182 163 A CA 2.663 54.663 52.037 -0.062 0.000 0.633 163 A CB -1.305 17.494 19.000 -0.335 0.000 0.819 163 A HN 1.569 nan 8.150 nan 0.000 0.448 164 G N -1.516 107.289 108.800 0.009 0.000 2.440 164 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 164 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 164 G C 1.548 176.544 174.900 0.160 0.000 1.154 164 G CA 1.655 46.822 45.100 0.112 0.000 0.767 164 G HN 0.454 nan 8.290 nan 0.000 0.552 165 T N -0.081 114.529 114.554 0.093 0.000 2.942 165 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 165 T C 2.093 176.929 174.700 0.226 0.000 1.062 165 T CA 0.819 63.005 62.100 0.143 0.000 1.139 165 T CB -0.242 68.657 68.868 0.052 0.000 0.883 165 T HN 0.276 nan 8.240 nan 0.000 0.468 166 H N 1.184 120.332 119.070 0.130 0.000 2.387 166 H HA 0.133 4.689 4.556 -0.000 0.000 0.299 166 H C 2.377 177.624 175.328 -0.135 0.000 1.090 166 H CA 1.308 57.362 56.048 0.009 0.000 1.332 166 H CB -0.353 29.461 29.762 0.086 0.000 1.386 166 H HN 0.422 nan 8.280 nan 0.000 0.516 167 A N 0.083 122.959 122.820 0.093 0.000 1.973 167 A HA 0.090 4.410 4.320 -0.000 0.000 0.210 167 A C 1.280 178.912 177.584 0.079 0.000 1.200 167 A CA 0.973 52.975 52.037 -0.058 0.000 0.707 167 A CB 0.049 18.994 19.000 -0.092 0.000 0.862 167 A HN 0.441 nan 8.150 nan 0.000 0.461 168 T N -2.628 112.004 114.554 0.131 0.000 2.907 168 T HA 0.465 4.815 4.350 -0.000 0.000 0.292 168 T C -0.142 174.628 174.700 0.117 0.000 1.043 168 T CA 0.197 62.355 62.100 0.096 0.000 1.003 168 T CB 1.360 70.215 68.868 -0.021 0.000 1.084 168 T HN 0.296 nan 8.240 nan 0.000 0.483 169 T N 0.026 114.542 114.554 -0.063 0.000 3.783 169 T HA 0.471 4.821 4.350 -0.000 0.000 0.262 169 T C -0.011 174.716 174.700 0.045 0.000 1.381 169 T CA -0.693 61.290 62.100 -0.196 0.000 1.155 169 T CB -1.874 66.855 68.868 -0.232 0.000 1.256 169 T HN 0.708 nan 8.240 nan 0.000 0.807 170 C N 1.758 121.126 119.300 0.114 0.000 2.441 170 C HA 0.631 5.091 4.460 -0.000 0.000 0.318 170 C C 0.503 175.540 174.990 0.079 0.000 1.222 170 C CA -0.840 58.236 59.018 0.098 0.000 1.474 170 C CB 1.370 29.163 27.740 0.088 0.000 2.125 170 C HN 0.672 nan 8.230 nan 0.000 0.479 171 T N 4.402 118.994 114.554 0.062 0.000 2.947 171 T HA 0.305 4.655 4.350 -0.000 0.000 0.337 171 T C -2.697 172.026 174.700 0.037 0.000 1.139 171 T CA -0.751 61.384 62.100 0.059 0.000 0.992 171 T CB 0.328 69.256 68.868 0.100 0.000 1.043 171 T HN 0.423 nan 8.240 nan 0.000 0.498 172 P HA 0.359 nan 4.420 nan 0.000 0.270 172 P C 0.722 178.094 177.300 0.120 0.000 1.242 172 P CA 0.706 63.797 63.100 -0.015 0.000 0.768 172 P CB 0.217 31.865 31.700 -0.086 0.000 0.820 173 G N 5.444 114.284 108.800 0.066 0.000 2.856 173 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.674 173 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.674 173 G C -1.971 173.010 174.900 0.135 0.000 1.519 173 G CA -0.813 44.346 45.100 0.098 0.000 0.940 173 G HN 0.264 nan 8.290 nan 0.000 0.564 174 P HA -0.147 nan 4.420 nan 0.000 0.216 174 P C 1.645 179.008 177.300 0.104 0.000 1.154 174 P CA 2.253 65.405 63.100 0.087 0.000 0.865 174 P CB 0.003 31.749 31.700 0.076 0.000 0.789 175 W N -1.135 120.143 121.300 -0.036 0.000 2.378 175 W HA -0.168 4.492 4.660 -0.000 0.000 0.313 175 W C 2.316 178.767 176.519 -0.114 0.000 1.197 175 W CA 1.422 58.701 57.345 -0.109 0.000 1.304 175 W CB -1.130 28.215 29.460 -0.191 0.000 1.148 175 W HN -0.079 nan 8.180 nan 0.000 0.494 176 Y N 0.005 120.451 120.300 0.244 0.000 2.242 176 Y HA -0.229 4.321 4.550 -0.000 0.000 0.291 176 Y C 2.356 178.221 175.900 -0.058 0.000 1.137 176 Y CA 1.679 59.828 58.100 0.081 0.000 1.181 176 Y CB -0.451 38.113 38.460 0.174 0.000 0.989 176 Y HN -0.096 nan 8.280 nan 0.000 0.527 177 I N -1.099 119.546 120.570 0.124 0.000 2.179 177 I HA -0.342 3.828 4.170 -0.000 0.000 0.242 177 I C 2.355 178.440 176.117 -0.053 0.000 1.088 177 I CA 1.368 62.692 61.300 0.040 0.000 1.357 177 I CB -0.485 37.541 38.000 0.043 0.000 1.051 177 I HN 0.064 nan 8.210 nan 0.000 0.409 178 S N 0.326 115.957 115.700 -0.114 0.000 2.359 178 S HA -0.225 4.245 4.470 -0.000 0.000 0.224 178 S C 2.088 176.538 174.600 -0.249 0.000 1.035 178 S CA 1.386 59.478 58.200 -0.181 0.000 1.018 178 S CB -0.300 62.762 63.200 -0.230 0.000 0.876 178 S HN 0.266 nan 8.310 nan 0.000 0.448 179 R N 0.896 121.175 120.500 -0.368 0.000 2.081 179 R HA 0.121 4.461 4.340 -0.000 0.000 0.235 179 R C 2.250 178.425 176.300 -0.208 0.000 1.131 179 R CA 1.291 57.163 56.100 -0.379 0.000 0.960 179 R CB -0.352 29.614 30.300 -0.556 0.000 0.856 179 R HN 0.309 nan 8.270 nan 0.000 0.436 180 M N -0.306 119.210 119.600 -0.140 0.000 2.319 180 M HA -0.028 4.452 4.480 -0.000 0.000 0.265 180 M C 2.021 178.216 176.300 -0.175 0.000 1.068 180 M CA 1.220 56.431 55.300 -0.149 0.000 1.118 180 M CB -0.552 31.978 32.600 -0.116 0.000 1.395 180 M HN 0.161 nan 8.290 nan 0.000 0.435 181 L N -0.388 120.752 121.223 -0.138 0.000 2.093 181 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 181 L C 2.532 179.320 176.870 -0.137 0.000 1.085 181 L CA 1.136 55.903 54.840 -0.122 0.000 0.755 181 L CB -0.475 41.530 42.059 -0.091 0.000 0.904 181 L HN 0.380 nan 8.230 nan 0.000 0.435 182 Q N -0.388 119.324 119.800 -0.147 0.000 2.079 182 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 182 Q C 2.422 178.345 176.000 -0.129 0.000 0.974 182 Q CA 1.491 57.210 55.803 -0.140 0.000 0.840 182 Q CB -0.218 28.429 28.738 -0.151 0.000 0.898 182 Q HN 0.542 nan 8.270 nan 0.000 0.430 183 A N 1.144 123.879 122.820 -0.142 0.000 1.969 183 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 183 A C 2.294 179.787 177.584 -0.151 0.000 1.169 183 A CA 1.352 53.309 52.037 -0.134 0.000 0.635 183 A CB -0.642 18.269 19.000 -0.148 0.000 0.810 183 A HN 0.384 nan 8.150 nan 0.000 0.445 184 A N 0.112 122.818 122.820 -0.189 0.000 1.978 184 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 184 A C 1.663 179.189 177.584 -0.096 0.000 1.170 184 A CA 1.865 53.786 52.037 -0.192 0.000 0.636 184 A CB -0.566 18.319 19.000 -0.192 0.000 0.810 184 A HN 0.442 nan 8.150 nan 0.000 0.448 185 D N -0.126 120.231 120.400 -0.071 0.000 2.265 185 D HA -0.063 4.577 4.640 -0.000 0.000 0.208 185 D C 1.862 178.240 176.300 0.129 0.000 0.977 185 D CA 1.363 55.368 54.000 0.009 0.000 0.871 185 D CB -0.131 40.611 40.800 -0.097 0.000 0.925 185 D HN 0.410 nan 8.370 nan 0.000 0.485 186 S N -0.441 115.286 115.700 0.044 0.000 2.527 186 S HA 0.091 4.561 4.470 -0.000 0.000 0.222 186 S C 0.958 175.564 174.600 0.009 0.000 0.985 186 S CA 0.012 58.233 58.200 0.036 0.000 0.921 186 S CB 0.458 63.659 63.200 0.003 0.000 0.772 186 S HN 0.190 nan 8.310 nan 0.000 0.529 187 L N 2.930 124.150 121.223 -0.006 0.000 2.309 187 L HA 0.343 4.683 4.340 -0.000 0.000 0.282 187 L C -1.927 174.960 176.870 0.028 0.000 1.036 187 L CA -2.175 52.667 54.840 0.004 0.000 0.806 187 L CB 1.061 43.104 42.059 -0.026 0.000 1.220 187 L HN -0.151 nan 8.230 nan 0.000 0.429 188 P HA 0.014 nan 4.420 nan 0.000 0.259 188 P C -0.426 176.910 177.300 0.060 0.000 1.480 188 P CA 0.289 63.414 63.100 0.041 0.000 0.842 188 P CB -0.115 31.603 31.700 0.031 0.000 1.513 189 V N -3.686 116.276 119.914 0.080 0.000 3.102 189 V HA 0.550 4.670 4.120 -0.000 0.000 0.312 189 V C -0.320 175.837 176.094 0.104 0.000 1.135 189 V CA -1.416 60.950 62.300 0.110 0.000 1.022 189 V CB 1.807 33.730 31.823 0.166 0.000 1.056 189 V HN -0.181 nan 8.190 nan 0.000 0.436 190 N N 1.633 120.408 118.700 0.125 0.000 2.520 190 N HA 0.603 5.343 4.740 -0.000 0.000 0.273 190 N C -0.777 174.869 175.510 0.227 0.000 1.155 190 N CA 0.085 53.196 53.050 0.103 0.000 0.967 190 N CB 1.380 39.973 38.487 0.177 0.000 1.092 190 N HN 0.723 nan 8.380 nan 0.000 0.457 191 I N -0.028 120.653 120.570 0.185 0.000 2.647 191 I HA 0.505 4.675 4.170 -0.000 0.000 0.295 191 I C 0.296 176.636 176.117 0.372 0.000 1.078 191 I CA -0.886 60.588 61.300 0.290 0.000 1.048 191 I CB 2.461 40.541 38.000 0.133 0.000 1.239 191 I HN 0.417 nan 8.210 nan 0.000 0.421 192 G N 5.774 114.809 108.800 0.392 0.000 2.638 192 G HA2 0.730 4.689 3.960 -0.000 0.000 0.302 192 G HA3 0.730 4.689 3.960 -0.000 0.000 0.302 192 G C -1.410 173.644 174.900 0.256 0.000 1.365 192 G CA -0.462 44.834 45.100 0.327 0.000 0.987 192 G HN 0.378 nan 8.290 nan 0.000 0.495 193 L N 1.120 122.461 121.223 0.196 0.000 2.334 193 L HA 0.608 4.948 4.340 -0.000 0.000 0.272 193 L C -0.267 176.687 176.870 0.140 0.000 1.020 193 L CA -0.949 54.006 54.840 0.192 0.000 0.812 193 L CB 2.029 44.170 42.059 0.136 0.000 1.264 193 L HN 0.206 nan 8.230 nan 0.000 0.439 194 L N 1.158 122.462 121.223 0.135 0.000 2.322 194 L HA 0.624 4.964 4.340 -0.000 0.000 0.281 194 L C 0.465 177.377 176.870 0.071 0.000 1.014 194 L CA -0.477 54.416 54.840 0.089 0.000 0.815 194 L CB 1.740 43.843 42.059 0.075 0.000 1.247 194 L HN 0.665 nan 8.230 nan 0.000 0.421 195 G N 1.244 110.068 108.800 0.040 0.000 2.531 195 G HA2 0.281 4.241 3.960 -0.000 0.000 0.313 195 G HA3 0.281 4.241 3.960 -0.000 0.000 0.313 195 G C -0.897 173.986 174.900 -0.029 0.000 1.238 195 G CA -0.574 44.533 45.100 0.010 0.000 0.994 195 G HN 0.527 nan 8.290 nan 0.000 0.493 196 K N 0.143 120.486 120.400 -0.095 0.000 2.310 196 K HA 0.276 4.596 4.320 -0.000 0.000 0.290 196 K C 1.097 177.612 176.600 -0.142 0.000 1.077 196 K CA -0.039 56.132 56.287 -0.193 0.000 0.922 196 K CB 0.476 32.718 32.500 -0.430 0.000 1.057 196 K HN 0.454 nan 8.250 nan 0.000 0.479 197 G N 3.518 112.269 108.800 -0.082 0.000 2.985 197 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.209 197 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.209 197 G C 0.024 174.897 174.900 -0.044 0.000 1.165 197 G CA -0.285 44.784 45.100 -0.053 0.000 0.776 197 G HN 0.618 nan 8.290 nan 0.000 0.541 198 N N 0.825 119.490 118.700 -0.058 0.000 2.671 198 N HA 0.409 5.149 4.740 -0.000 0.000 0.274 198 N C -0.938 174.551 175.510 -0.034 0.000 1.188 198 N CA 0.178 53.221 53.050 -0.010 0.000 1.065 198 N CB 1.187 39.720 38.487 0.077 0.000 1.415 198 N HN 0.031 nan 8.380 nan 0.000 0.511 199 V N -0.764 119.135 119.914 -0.024 0.000 3.147 199 V HA 0.309 4.429 4.120 -0.000 0.000 0.299 199 V C 0.185 176.271 176.094 -0.013 0.000 1.302 199 V CA -0.949 61.337 62.300 -0.024 0.000 1.015 199 V CB 2.077 33.876 31.823 -0.040 0.000 1.086 199 V HN 0.273 nan 8.190 nan 0.000 0.437 200 S N 0.745 116.440 115.700 -0.008 0.000 2.575 200 S HA 0.180 4.650 4.470 -0.000 0.000 0.237 200 S C 0.145 174.740 174.600 -0.009 0.000 0.975 200 S CA 0.003 58.199 58.200 -0.006 0.000 0.960 200 S CB -0.005 63.194 63.200 -0.002 0.000 0.822 200 S HN 0.792 nan 8.310 nan 0.000 0.472 201 Q N 1.646 121.439 119.800 -0.012 0.000 2.363 201 Q HA 0.420 4.760 4.340 -0.000 0.000 0.265 201 Q C -2.448 173.544 176.000 -0.014 0.000 1.032 201 Q CA -2.179 53.617 55.803 -0.012 0.000 0.746 201 Q CB 1.451 30.182 28.738 -0.012 0.000 1.237 201 Q HN -0.094 nan 8.270 nan 0.000 0.475 202 P HA -0.194 nan 4.420 nan 0.000 0.216 202 P C 0.228 177.521 177.300 -0.012 0.000 1.157 202 P CA 1.423 64.516 63.100 -0.012 0.000 0.880 202 P CB 0.359 32.053 31.700 -0.010 0.000 0.791 203 D N -0.885 119.509 120.400 -0.010 0.000 2.182 203 D HA -0.135 4.505 4.640 -0.000 0.000 0.201 203 D C 1.902 178.196 176.300 -0.010 0.000 0.986 203 D CA 1.526 55.521 54.000 -0.008 0.000 0.847 203 D CB -0.614 40.182 40.800 -0.007 0.000 0.942 203 D HN 0.126 nan 8.370 nan 0.000 0.467 204 A N 0.194 123.006 122.820 -0.015 0.000 2.067 204 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 204 A C 2.304 179.874 177.584 -0.022 0.000 1.158 204 A CA 0.658 52.684 52.037 -0.019 0.000 0.661 204 A CB -0.353 18.631 19.000 -0.027 0.000 0.801 204 A HN 0.203 nan 8.150 nan 0.000 0.452 205 L N -1.696 119.514 121.223 -0.021 0.000 2.168 205 L HA -0.007 4.333 4.340 -0.000 0.000 0.203 205 L C 2.699 179.563 176.870 -0.010 0.000 1.078 205 L CA 0.605 55.433 54.840 -0.020 0.000 0.780 205 L CB -0.468 41.579 42.059 -0.021 0.000 0.939 205 L HN 0.280 nan 8.230 nan 0.000 0.451 206 R N 0.483 120.978 120.500 -0.008 0.000 2.105 206 R HA -0.183 4.157 4.340 -0.000 0.000 0.239 206 R C 2.082 178.382 176.300 0.001 0.000 1.135 206 R CA 1.406 57.505 56.100 -0.003 0.000 0.967 206 R CB -0.283 30.015 30.300 -0.003 0.000 0.861 206 R HN 0.453 nan 8.270 nan 0.000 0.442 207 E N 0.703 120.903 120.200 0.000 0.000 2.077 207 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 207 E C 2.146 178.752 176.600 0.010 0.000 0.989 207 E CA 1.189 57.592 56.400 0.005 0.000 0.800 207 E CB -0.004 29.700 29.700 0.006 0.000 0.746 207 E HN 0.435 nan 8.360 nan 0.000 0.452 208 Q N 0.226 120.030 119.800 0.007 0.000 2.079 208 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 208 Q C 2.409 178.419 176.000 0.017 0.000 0.974 208 Q CA 1.309 57.120 55.803 0.013 0.000 0.840 208 Q CB 0.027 28.767 28.738 0.003 0.000 0.898 208 Q HN 0.163 nan 8.270 nan 0.000 0.430 209 V N 0.994 120.916 119.914 0.013 0.000 2.358 209 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 209 V C 2.254 178.359 176.094 0.019 0.000 1.047 209 V CA 1.753 64.064 62.300 0.018 0.000 1.035 209 V CB -0.952 30.879 31.823 0.013 0.000 0.658 209 V HN 0.368 nan 8.190 nan 0.000 0.452 210 A N -0.070 122.758 122.820 0.013 0.000 2.070 210 A HA 0.008 4.328 4.320 -0.000 0.000 0.220 210 A C 2.286 179.877 177.584 0.011 0.000 1.159 210 A CA 1.724 53.767 52.037 0.012 0.000 0.656 210 A CB -0.505 18.499 19.000 0.008 0.000 0.800 210 A HN 0.571 nan 8.150 nan 0.000 0.453 211 A N -2.205 120.623 122.820 0.013 0.000 2.123 211 A HA 0.413 4.733 4.320 -0.000 0.000 0.214 211 A C 1.728 179.318 177.584 0.009 0.000 1.152 211 A CA 1.584 53.627 52.037 0.010 0.000 0.728 211 A CB -0.344 18.665 19.000 0.016 0.000 0.814 211 A HN 1.577 nan 8.150 nan 0.000 0.464 212 G N -1.667 107.145 108.800 0.021 0.000 2.977 212 G HA2 0.014 3.974 3.960 -0.000 0.000 0.211 212 G HA3 0.014 3.974 3.960 -0.000 0.000 0.211 212 G C 0.343 175.274 174.900 0.050 0.000 0.994 212 G CA 0.061 45.179 45.100 0.029 0.000 0.795 212 G HN 1.375 nan 8.290 nan 0.000 0.518 213 V N 1.234 121.178 119.914 0.050 0.000 2.843 213 V HA 0.571 4.691 4.120 -0.000 0.000 0.305 213 V C 1.673 177.812 176.094 0.075 0.000 1.065 213 V CA 0.245 62.585 62.300 0.066 0.000 1.116 213 V CB 1.083 32.939 31.823 0.056 0.000 0.968 213 V HN 0.835 nan 8.190 nan 0.000 0.487 214 I N 0.453 121.081 120.570 0.096 0.000 3.928 214 I HA 0.757 4.927 4.170 -0.000 0.000 0.335 214 I C 0.667 176.845 176.117 0.103 0.000 1.325 214 I CA 0.366 61.727 61.300 0.102 0.000 1.107 214 I CB -0.226 37.846 38.000 0.120 0.000 1.014 214 I HN 0.911 nan 8.210 nan 0.000 0.400 215 G N 0.826 109.678 108.800 0.087 0.000 2.506 215 G HA2 0.592 4.552 3.960 -0.000 0.000 0.292 215 G HA3 0.592 4.552 3.960 -0.000 0.000 0.292 215 G C -1.660 173.265 174.900 0.042 0.000 1.425 215 G CA -0.708 44.439 45.100 0.079 0.000 0.788 215 G HN 0.083 nan 8.290 nan 0.000 0.490 219 H N 5.439 124.596 119.070 0.145 0.000 2.637 219 H HA 0.391 4.947 4.556 -0.000 0.000 0.363 219 H C 0.593 175.923 175.328 0.004 0.000 1.131 219 H CA -0.298 55.804 56.048 0.090 0.000 1.183 219 H CB 2.405 32.286 29.762 0.198 0.000 1.637 219 H HN 0.838 nan 8.280 nan 0.000 0.531 220 E N 2.215 122.291 120.200 -0.208 0.000 2.153 220 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 220 E C 0.123 176.736 176.600 0.021 0.000 0.988 220 E CA 1.465 57.813 56.400 -0.086 0.000 0.811 220 E CB 0.165 29.767 29.700 -0.163 0.000 0.746 220 E HN 0.466 nan 8.360 nan 0.000 0.466 221 D N 0.240 120.729 120.400 0.147 0.000 2.263 221 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 221 D C 0.564 176.758 176.300 -0.177 0.000 0.971 221 D CA 0.969 54.918 54.000 -0.086 0.000 0.867 221 D CB -0.225 40.419 40.800 -0.261 0.000 0.929 221 D HN 0.498 nan 8.370 nan 0.000 0.492 222 W N 0.291 121.635 121.300 0.073 0.000 3.127 222 W HA 0.413 5.073 4.660 -0.000 0.000 0.344 222 W C 0.570 177.102 176.519 0.022 0.000 1.151 222 W CA -0.103 57.264 57.345 0.037 0.000 1.765 222 W CB 0.809 30.291 29.460 0.036 0.000 1.085 222 W HN -0.072 nan 8.180 nan 0.000 0.596 223 G N 1.382 110.297 108.800 0.191 0.000 2.860 223 G HA2 0.079 4.039 3.960 -0.000 0.000 0.547 223 G HA3 0.079 4.039 3.960 -0.000 0.000 0.547 223 G C -0.239 174.711 174.900 0.083 0.000 1.103 223 G CA -0.590 44.570 45.100 0.101 0.000 1.126 223 G HN 0.419 nan 8.290 nan 0.000 0.490 224 A N 2.420 125.266 122.820 0.043 0.000 3.168 224 A HA 0.684 5.004 4.320 -0.000 0.000 0.260 224 A C 1.245 178.840 177.584 0.019 0.000 1.598 224 A CA 0.833 52.889 52.037 0.032 0.000 1.285 224 A CB -0.478 18.529 19.000 0.011 0.000 1.149 224 A HN 2.056 nan 8.150 nan 0.000 0.630 225 T N -2.503 112.065 114.554 0.022 0.000 2.899 225 T HA 0.435 4.785 4.350 -0.000 0.000 0.284 225 T C -1.816 172.894 174.700 0.017 0.000 1.004 225 T CA -1.678 60.431 62.100 0.015 0.000 1.043 225 T CB 1.152 70.026 68.868 0.009 0.000 1.013 225 T HN 0.077 nan 8.240 nan 0.000 0.518 226 P HA -0.084 nan 4.420 nan 0.000 0.216 226 P C 1.616 178.918 177.300 0.003 0.000 1.150 226 P CA 1.514 64.620 63.100 0.009 0.000 0.843 226 P CB -0.227 31.476 31.700 0.004 0.000 0.787 227 A N -0.120 122.702 122.820 0.002 0.000 1.873 227 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 227 A C 2.325 179.910 177.584 0.001 0.000 1.186 227 A CA 2.083 54.120 52.037 0.000 0.000 0.616 227 A CB -1.599 17.401 19.000 0.000 0.000 0.823 227 A HN 0.190 nan 8.150 nan 0.000 0.442 228 A N -0.095 122.729 122.820 0.006 0.000 1.902 228 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 228 A C 2.134 179.719 177.584 0.001 0.000 1.181 228 A CA 1.541 53.582 52.037 0.007 0.000 0.623 228 A CB -0.638 18.374 19.000 0.021 0.000 0.818 228 A HN 0.493 nan 8.150 nan 0.000 0.443 229 I N -0.277 120.295 120.570 0.003 0.000 2.179 229 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 229 I C 2.328 178.438 176.117 -0.013 0.000 1.088 229 I CA 1.958 63.255 61.300 -0.005 0.000 1.357 229 I CB -0.394 37.606 38.000 0.000 0.000 1.051 229 I HN 0.418 nan 8.210 nan 0.000 0.409 230 D N 0.095 120.489 120.400 -0.010 0.000 2.117 230 D HA -0.233 4.407 4.640 -0.000 0.000 0.197 230 D C 2.306 178.598 176.300 -0.014 0.000 0.987 230 D CA 1.266 55.258 54.000 -0.013 0.000 0.829 230 D CB -0.163 40.631 40.800 -0.010 0.000 0.961 230 D HN 0.392 nan 8.370 nan 0.000 0.460 231 C N 0.020 119.313 119.300 -0.012 0.000 2.432 231 C HA 0.033 4.493 4.460 -0.000 0.000 0.277 231 C C 2.899 177.879 174.990 -0.016 0.000 1.249 231 C CA 1.572 60.582 59.018 -0.013 0.000 1.725 231 C CB -1.469 26.264 27.740 -0.011 0.000 2.028 231 C HN 0.447 nan 8.230 nan 0.000 0.477 232 A N 0.073 122.882 122.820 -0.018 0.000 1.902 232 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 232 A C 2.176 179.745 177.584 -0.026 0.000 1.181 232 A CA 1.806 53.829 52.037 -0.023 0.000 0.623 232 A CB -0.730 18.255 19.000 -0.026 0.000 0.818 232 A HN 0.675 nan 8.150 nan 0.000 0.443 233 L N -0.788 120.418 121.223 -0.027 0.000 2.141 233 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 233 L C 2.742 179.597 176.870 -0.025 0.000 1.094 233 L CA 1.605 56.427 54.840 -0.030 0.000 0.763 233 L CB -0.697 41.343 42.059 -0.032 0.000 0.908 233 L HN 0.350 nan 8.230 nan 0.000 0.437 234 T N -0.738 113.804 114.554 -0.020 0.000 2.777 234 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 234 T C 1.974 176.664 174.700 -0.016 0.000 1.040 234 T CA 1.312 63.402 62.100 -0.017 0.000 1.141 234 T CB -0.120 68.739 68.868 -0.014 0.000 0.868 234 T HN 0.062 nan 8.240 nan 0.000 0.444 235 V N 1.650 121.555 119.914 -0.016 0.000 2.427 235 V HA -0.109 4.011 4.120 -0.000 0.000 0.248 235 V C 2.864 178.949 176.094 -0.014 0.000 1.051 235 V CA 1.511 63.803 62.300 -0.014 0.000 1.048 235 V CB -1.167 30.648 31.823 -0.013 0.000 0.666 235 V HN 0.507 nan 8.190 nan 0.000 0.456 236 A N -0.117 122.692 122.820 -0.019 0.000 1.902 236 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 236 A C 1.995 179.566 177.584 -0.022 0.000 1.181 236 A CA 2.052 54.076 52.037 -0.021 0.000 0.623 236 A CB -0.623 18.358 19.000 -0.031 0.000 0.818 236 A HN 0.508 nan 8.150 nan 0.000 0.443 237 D N -0.246 120.141 120.400 -0.022 0.000 2.178 237 D HA -0.139 4.501 4.640 -0.000 0.000 0.201 237 D C 2.014 178.304 176.300 -0.017 0.000 0.980 237 D CA 1.554 55.541 54.000 -0.022 0.000 0.842 237 D CB -0.194 40.593 40.800 -0.021 0.000 0.948 237 D HN 0.881 nan 8.370 nan 0.000 0.472 238 E N -0.653 119.539 120.200 -0.014 0.000 2.340 238 E HA 0.035 4.385 4.350 -0.000 0.000 0.194 238 E C 1.548 178.142 176.600 -0.009 0.000 0.996 238 E CA 0.231 56.624 56.400 -0.011 0.000 0.869 238 E CB -0.042 29.652 29.700 -0.010 0.000 0.835 238 E HN 0.197 nan 8.360 nan 0.000 0.493 239 M N 0.967 120.563 119.600 -0.008 0.000 2.333 239 M HA 0.134 4.614 4.480 -0.000 0.000 0.257 239 M C -0.333 175.966 176.300 -0.002 0.000 1.078 239 M CA -0.065 55.233 55.300 -0.003 0.000 1.005 239 M CB 0.408 33.008 32.600 0.001 0.000 1.444 239 M HN -0.111 nan 8.290 nan 0.000 0.496 240 D N 2.854 123.248 120.400 -0.009 0.000 2.705 240 D HA -0.154 4.486 4.640 -0.000 0.000 0.240 240 D C -1.032 175.266 176.300 -0.004 0.000 1.137 240 D CA 0.626 54.619 54.000 -0.011 0.000 0.677 240 D CB -0.793 40.000 40.800 -0.012 0.000 1.049 240 D HN 0.523 nan 8.370 nan 0.000 0.427 241 I N -2.565 118.002 120.570 -0.006 0.000 3.002 241 I HA 0.729 4.899 4.170 -0.000 0.000 0.310 241 I C -0.055 176.052 176.117 -0.017 0.000 1.087 241 I CA -1.173 60.130 61.300 0.006 0.000 1.017 241 I CB 1.528 39.540 38.000 0.021 0.000 1.226 241 I HN -0.117 nan 8.210 nan 0.000 0.443 242 Q N 1.530 121.323 119.800 -0.012 0.000 2.214 242 Q HA 0.738 5.077 4.340 -0.000 0.000 0.251 242 Q C -1.493 174.477 176.000 -0.049 0.000 0.936 242 Q CA -0.650 55.110 55.803 -0.073 0.000 0.894 242 Q CB 1.965 30.575 28.738 -0.213 0.000 1.252 242 Q HN 0.646 nan 8.270 nan 0.000 0.448 243 V N 2.149 122.007 119.914 -0.092 0.000 2.459 243 V HA 0.859 4.979 4.120 -0.000 0.000 0.295 243 V C -0.681 175.295 176.094 -0.196 0.000 1.029 243 V CA -0.690 61.545 62.300 -0.109 0.000 0.874 243 V CB 1.392 33.159 31.823 -0.093 0.000 0.985 243 V HN 0.860 nan 8.190 nan 0.000 0.438 244 A N 4.980 127.609 122.820 -0.318 0.000 2.318 244 A HA 0.888 5.208 4.320 -0.000 0.000 0.324 244 A C -1.126 176.108 177.584 -0.583 0.000 1.170 244 A CA -0.488 51.108 52.037 -0.735 0.000 0.810 244 A CB 1.254 19.479 19.000 -1.292 0.000 1.198 244 A HN 0.812 nan 8.150 nan 0.000 0.484 245 L N 1.923 122.818 121.223 -0.546 0.000 2.346 245 L HA 0.595 4.935 4.340 -0.000 0.000 0.276 245 L C -0.485 176.301 176.870 -0.139 0.000 1.006 245 L CA -0.203 54.487 54.840 -0.250 0.000 0.817 245 L CB 1.671 43.646 42.059 -0.141 0.000 1.272 245 L HN 0.805 nan 8.230 nan 0.000 0.421 246 H N 3.157 122.159 119.070 -0.114 0.000 2.887 246 H HA 0.529 5.085 4.556 -0.000 0.000 0.300 246 H C -0.428 174.859 175.328 -0.068 0.000 1.038 246 H CA -0.415 55.617 56.048 -0.027 0.000 1.352 246 H CB 0.921 30.607 29.762 -0.126 0.000 1.473 246 H HN 0.839 nan 8.280 nan 0.000 0.503 247 S N 2.627 118.433 115.700 0.177 0.000 2.617 247 S HA -0.056 4.414 4.470 -0.000 0.000 0.259 247 S C 0.453 175.025 174.600 -0.047 0.000 1.301 247 S CA -0.796 57.436 58.200 0.053 0.000 0.984 247 S CB 0.928 64.166 63.200 0.063 0.000 0.954 247 S HN 0.752 nan 8.310 nan 0.000 0.572 248 D N 0.526 120.727 120.400 -0.331 0.000 2.441 248 D HA 0.172 4.812 4.640 -0.000 0.000 0.243 248 D C 1.037 177.058 176.300 -0.466 0.000 1.257 248 D CA 0.091 53.872 54.000 -0.365 0.000 1.027 248 D CB -0.235 40.382 40.800 -0.306 0.000 1.084 248 D HN 0.547 nan 8.370 nan 0.000 0.514 249 T N 3.491 117.951 114.554 -0.156 0.000 2.720 249 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 249 T C 1.960 176.667 174.700 0.012 0.000 1.037 249 T CA 0.828 62.921 62.100 -0.011 0.000 1.144 249 T CB -0.038 68.958 68.868 0.213 0.000 0.864 249 T HN 0.444 nan 8.240 nan 0.000 0.444 250 L N 0.939 122.111 121.223 -0.086 0.000 2.456 250 L HA -0.010 4.330 4.340 -0.000 0.000 0.224 250 L C 0.768 177.625 176.870 -0.022 0.000 1.148 250 L CA 0.301 55.083 54.840 -0.097 0.000 0.825 250 L CB -0.762 41.152 42.059 -0.241 0.000 0.937 250 L HN 0.302 nan 8.230 nan 0.000 0.450 251 N N 0.010 118.711 118.700 0.003 0.000 2.714 251 N HA -0.271 4.469 4.740 -0.000 0.000 0.250 251 N C 1.146 176.594 175.510 -0.104 0.000 1.117 251 N CA 1.285 54.369 53.050 0.057 0.000 0.719 251 N CB -1.025 37.565 38.487 0.171 0.000 1.081 251 N HN 0.579 nan 8.380 nan 0.000 0.557 252 E N 0.503 120.647 120.200 -0.095 0.000 2.077 252 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 252 E C 1.450 177.988 176.600 -0.104 0.000 0.989 252 E CA 1.756 58.093 56.400 -0.105 0.000 0.800 252 E CB 0.119 29.756 29.700 -0.105 0.000 0.746 252 E HN 0.559 nan 8.360 nan 0.000 0.452 253 S N -1.305 114.348 115.700 -0.079 0.000 2.511 253 S HA 0.398 4.868 4.470 -0.000 0.000 0.214 253 S C 0.561 175.109 174.600 -0.086 0.000 0.997 253 S CA 0.024 58.186 58.200 -0.064 0.000 0.908 253 S CB 1.341 64.526 63.200 -0.025 0.000 0.803 253 S HN 0.401 nan 8.310 nan 0.000 0.504 254 G N 0.002 108.725 108.800 -0.129 0.000 2.337 254 G HA2 0.391 4.351 3.960 -0.000 0.000 0.298 254 G HA3 0.391 4.351 3.960 -0.000 0.000 0.298 254 G C -1.155 173.622 174.900 -0.204 0.000 1.335 254 G CA -1.138 43.826 45.100 -0.226 0.000 0.875 254 G HN 0.156 nan 8.290 nan 0.000 0.579 255 F N -1.043 118.891 119.950 -0.027 0.000 2.321 255 F HA 0.511 5.038 4.527 -0.000 0.000 0.318 255 F C 1.895 177.300 175.800 -0.657 0.000 1.129 255 F CA 0.019 57.915 58.000 -0.174 0.000 1.074 255 F CB 1.262 40.208 39.000 -0.089 0.000 1.432 255 F HN 0.305 nan 8.300 nan 0.000 0.502 256 V N 1.439 121.013 119.914 -0.567 0.000 2.392 256 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 256 V C 2.218 178.156 176.094 -0.261 0.000 1.059 256 V CA 2.441 64.361 62.300 -0.633 0.000 1.051 256 V CB -0.633 31.055 31.823 -0.224 0.000 0.658 256 V HN 0.820 nan 8.190 nan 0.000 0.455 257 E N -1.021 119.116 120.200 -0.106 0.000 2.204 257 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 257 E C 1.640 178.213 176.600 -0.045 0.000 0.990 257 E CA 1.659 58.032 56.400 -0.045 0.000 0.821 257 E CB -0.610 29.097 29.700 0.013 0.000 0.750 257 E HN 0.670 nan 8.360 nan 0.000 0.477 258 D N 0.975 121.347 120.400 -0.047 0.000 2.123 258 D HA -0.063 4.577 4.640 -0.000 0.000 0.200 258 D C 1.797 178.079 176.300 -0.030 0.000 0.976 258 D CA 1.609 55.592 54.000 -0.029 0.000 0.831 258 D CB -0.094 40.692 40.800 -0.023 0.000 0.974 258 D HN 0.192 nan 8.370 nan 0.000 0.469 259 T N 1.726 116.256 114.554 -0.039 0.000 2.708 259 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 259 T C 2.286 176.962 174.700 -0.039 0.000 1.037 259 T CA 0.551 62.661 62.100 0.017 0.000 1.146 259 T CB -0.288 68.659 68.868 0.130 0.000 0.865 259 T HN 0.088 nan 8.240 nan 0.000 0.435 260 L N 0.680 121.848 121.223 -0.092 0.000 2.079 260 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 260 L C 2.970 179.778 176.870 -0.104 0.000 1.081 260 L CA 1.281 56.030 54.840 -0.152 0.000 0.752 260 L CB -0.598 41.313 42.059 -0.247 0.000 0.896 260 L HN 0.251 nan 8.230 nan 0.000 0.433 261 A N -0.246 122.536 122.820 -0.063 0.000 1.930 261 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 261 A C 2.515 180.082 177.584 -0.029 0.000 1.175 261 A CA 1.497 53.513 52.037 -0.035 0.000 0.627 261 A CB -0.601 18.388 19.000 -0.019 0.000 0.815 261 A HN 0.394 nan 8.150 nan 0.000 0.443 262 A N 0.021 122.826 122.820 -0.026 0.000 1.930 262 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 262 A C 2.062 179.631 177.584 -0.025 0.000 1.175 262 A CA 1.431 53.457 52.037 -0.018 0.000 0.627 262 A CB -0.582 18.414 19.000 -0.007 0.000 0.815 262 A HN 0.498 nan 8.150 nan 0.000 0.443 263 I N -0.443 120.104 120.570 -0.038 0.000 2.286 263 I HA -0.100 4.070 4.170 -0.000 0.000 0.248 263 I C 1.764 177.857 176.117 -0.041 0.000 1.115 263 I CA 0.897 62.170 61.300 -0.046 0.000 1.392 263 I CB -0.674 37.285 38.000 -0.068 0.000 1.065 263 I HN 0.474 nan 8.210 nan 0.000 0.418 264 G N 1.192 109.969 108.800 -0.039 0.000 2.366 264 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.299 264 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.299 264 G C 0.988 175.875 174.900 -0.021 0.000 1.020 264 G CA 0.445 45.529 45.100 -0.026 0.000 1.026 264 G HN 0.930 nan 8.290 nan 0.000 0.512 265 G N -1.724 107.062 108.800 -0.024 0.000 2.168 265 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.263 265 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.263 265 G C 0.541 175.429 174.900 -0.019 0.000 0.977 265 G CA 1.071 46.165 45.100 -0.011 0.000 0.659 265 G HN 1.030 nan 8.290 nan 0.000 0.533 266 R N 0.383 120.865 120.500 -0.030 0.000 2.459 266 R HA 0.499 4.839 4.340 -0.000 0.000 0.281 266 R C 0.425 176.699 176.300 -0.043 0.000 1.050 266 R CA -0.152 55.928 56.100 -0.034 0.000 1.055 266 R CB 0.555 30.834 30.300 -0.034 0.000 1.045 266 R HN 0.145 nan 8.270 nan 0.000 0.495 267 T N 2.932 117.458 114.554 -0.047 0.000 2.902 267 T HA 0.206 4.555 4.350 -0.000 0.000 0.301 267 T C 0.127 174.785 174.700 -0.071 0.000 1.012 267 T CA 0.434 62.498 62.100 -0.059 0.000 1.151 267 T CB 0.061 68.890 68.868 -0.066 0.000 0.946 267 T HN 0.387 nan 8.240 nan 0.000 0.542 268 I N 1.761 122.286 120.570 -0.075 0.000 2.787 268 I HA 0.233 4.403 4.170 -0.000 0.000 0.294 268 I C -0.839 175.245 176.117 -0.056 0.000 1.365 268 I CA -0.848 60.403 61.300 -0.081 0.000 1.029 268 I CB 2.092 40.043 38.000 -0.083 0.000 1.313 268 I HN 0.748 nan 8.210 nan 0.000 0.431 269 H N 5.587 124.526 119.070 -0.218 0.000 2.594 269 H HA 0.415 4.971 4.556 -0.000 0.000 0.304 269 H C -0.804 174.371 175.328 -0.255 0.000 1.068 269 H CA -0.542 55.375 56.048 -0.219 0.000 1.308 269 H CB 0.983 30.595 29.762 -0.250 0.000 1.409 269 H HN 0.592 nan 8.280 nan 0.000 0.460 270 T N 3.664 118.246 114.554 0.046 0.000 2.728 270 T HA 0.194 4.544 4.350 -0.000 0.000 0.296 270 T C -0.085 174.574 174.700 -0.068 0.000 0.940 270 T CA -0.796 61.239 62.100 -0.109 0.000 1.013 270 T CB 0.137 68.953 68.868 -0.088 0.000 0.912 270 T HN 0.199 nan 8.240 nan 0.000 0.484 271 F N 3.856 123.543 119.950 -0.439 0.000 2.450 271 F HA 0.237 4.763 4.527 -0.000 0.000 0.339 271 F C 1.558 176.900 175.800 -0.763 0.000 1.146 271 F CA -0.874 56.788 58.000 -0.562 0.000 1.267 271 F CB -0.179 38.412 39.000 -0.683 0.000 1.178 271 F HN 0.965 nan 8.300 nan 0.000 0.585 272 H N -0.853 118.367 119.070 0.251 0.000 2.284 272 H HA -0.209 4.347 4.556 -0.000 0.000 0.322 272 H C 0.722 176.111 175.328 0.102 0.000 0.973 272 H CA 0.453 56.589 56.048 0.147 0.000 1.076 272 H CB -2.438 27.374 29.762 0.084 0.000 1.596 272 H HN 0.531 nan 8.280 nan 0.000 0.361 273 T N -0.886 113.724 114.554 0.093 0.000 2.946 273 T HA -0.231 4.119 4.350 -0.000 0.000 0.271 273 T C 1.743 176.589 174.700 0.243 0.000 1.104 273 T CA 1.288 63.398 62.100 0.017 0.000 1.114 273 T CB 0.028 68.633 68.868 -0.439 0.000 0.867 273 T HN 0.705 nan 8.240 nan 0.000 0.513 274 E N 0.768 121.200 120.200 0.387 0.000 2.152 274 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 274 E C 1.910 178.590 176.600 0.133 0.000 0.983 274 E CA 1.164 57.735 56.400 0.285 0.000 0.818 274 E CB -0.244 29.579 29.700 0.206 0.000 0.758 274 E HN 0.588 nan 8.360 nan 0.000 0.467 275 G N -0.035 108.843 108.800 0.129 0.000 2.339 275 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.209 275 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.209 275 G C 1.403 176.259 174.900 -0.073 0.000 1.015 275 G CA 0.595 45.713 45.100 0.030 0.000 0.635 275 G HN 0.545 nan 8.290 nan 0.000 0.499 276 A N 0.835 123.615 122.820 -0.066 0.000 1.948 276 A HA 0.277 4.597 4.320 -0.000 0.000 0.220 276 A C 2.654 180.160 177.584 -0.131 0.000 1.177 276 A CA 2.545 54.532 52.037 -0.084 0.000 0.636 276 A CB -0.953 18.009 19.000 -0.064 0.000 0.815 276 A HN 1.692 nan 8.150 nan 0.000 0.449 277 G N -1.663 106.981 108.800 -0.260 0.000 2.744 277 G HA2 0.431 4.391 3.960 -0.000 0.000 0.211 277 G HA3 0.431 4.391 3.960 -0.000 0.000 0.211 277 G C 0.688 175.004 174.900 -0.972 0.000 1.143 277 G CA 0.790 45.564 45.100 -0.542 0.000 0.788 277 G HN 1.657 nan 8.290 nan 0.000 0.534 278 G N -2.220 106.103 108.800 -0.795 0.000 2.351 278 G HA2 0.571 4.531 3.960 -0.000 0.000 0.472 278 G HA3 0.571 4.531 3.960 -0.000 0.000 0.472 278 G C -0.330 174.329 174.900 -0.401 0.000 1.570 278 G CA -0.095 44.559 45.100 -0.743 0.000 0.921 278 G HN 1.761 nan 8.290 nan 0.000 0.674 279 G N 0.556 109.276 108.800 -0.133 0.000 2.321 279 G HA2 0.488 4.447 3.960 -0.000 0.000 0.339 279 G HA3 0.488 4.447 3.960 -0.000 0.000 0.339 279 G C -0.503 174.413 174.900 0.026 0.000 1.518 279 G CA -0.489 44.605 45.100 -0.010 0.000 0.994 279 G HN 1.372 nan 8.290 nan 0.000 0.668 280 H N 0.094 119.210 119.070 0.076 0.000 3.232 280 H HA 0.222 4.777 4.556 -0.000 0.000 0.276 280 H C 1.093 176.461 175.328 0.066 0.000 0.882 280 H CA 1.551 57.653 56.048 0.089 0.000 1.415 280 H CB 0.472 30.295 29.762 0.101 0.000 1.405 280 H HN 0.952 nan 8.280 nan 0.000 0.543 281 A N 6.998 129.920 122.820 0.170 0.000 2.301 281 A HA 0.278 4.598 4.320 -0.000 0.000 0.298 281 A C -1.455 176.182 177.584 0.088 0.000 1.185 281 A CA -1.224 50.856 52.037 0.072 0.000 0.830 281 A CB 0.706 19.735 19.000 0.049 0.000 1.112 281 A HN 0.542 nan 8.150 nan 0.000 0.508 282 P HA 0.143 nan 4.420 nan 0.000 0.282 282 P C -0.520 176.762 177.300 -0.029 0.000 1.373 282 P CA 0.206 63.233 63.100 -0.122 0.000 1.001 282 P CB 0.501 31.990 31.700 -0.352 0.000 1.489 283 D N -0.670 119.755 120.400 0.041 0.000 2.427 283 D HA 0.018 4.658 4.640 -0.000 0.000 0.224 283 D C 1.344 177.693 176.300 0.081 0.000 1.157 283 D CA -0.621 53.411 54.000 0.054 0.000 0.828 283 D CB -0.595 40.227 40.800 0.036 0.000 0.974 283 D HN -0.013 nan 8.370 nan 0.000 0.498 284 I N 0.501 121.137 120.570 0.110 0.000 2.567 284 I HA -0.102 4.068 4.170 -0.000 0.000 0.257 284 I C 1.651 177.831 176.117 0.105 0.000 1.184 284 I CA 0.774 62.150 61.300 0.127 0.000 1.451 284 I CB -0.167 37.919 38.000 0.144 0.000 1.089 284 I HN 0.198 nan 8.210 nan 0.000 0.441 285 I N 0.379 121.020 120.570 0.118 0.000 2.567 285 I HA -0.297 3.873 4.170 -0.000 0.000 0.257 285 I C 2.070 178.277 176.117 0.150 0.000 1.184 285 I CA 1.719 63.121 61.300 0.170 0.000 1.451 285 I CB -0.322 37.787 38.000 0.182 0.000 1.089 285 I HN 0.488 nan 8.210 nan 0.000 0.441 286 T N -1.501 113.120 114.554 0.112 0.000 3.098 286 T HA 0.030 4.380 4.350 -0.000 0.000 0.266 286 T C 1.778 176.571 174.700 0.155 0.000 1.145 286 T CA 0.706 62.873 62.100 0.113 0.000 1.092 286 T CB -0.392 68.532 68.868 0.093 0.000 0.908 286 T HN 0.387 nan 8.240 nan 0.000 0.526 287 A N 1.304 124.197 122.820 0.121 0.000 2.015 287 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 287 A C 2.612 180.285 177.584 0.148 0.000 1.163 287 A CA 1.189 53.300 52.037 0.124 0.000 0.646 287 A CB -1.476 17.529 19.000 0.008 0.000 0.806 287 A HN 0.987 nan 8.150 nan 0.000 0.448 288 C N -1.699 117.644 119.300 0.071 0.000 2.460 288 C HA 0.403 4.863 4.460 -0.000 0.000 0.291 288 C C 2.324 177.344 174.990 0.051 0.000 1.493 288 C CA 0.052 59.087 59.018 0.029 0.000 1.748 288 C CB -1.802 25.973 27.740 0.059 0.000 1.656 288 C HN 0.625 nan 8.230 nan 0.000 0.576 289 A N -0.618 122.238 122.820 0.060 0.000 2.132 289 A HA 0.162 4.482 4.320 -0.000 0.000 0.213 289 A C 0.972 178.442 177.584 -0.191 0.000 1.154 289 A CA 0.179 52.168 52.037 -0.081 0.000 0.753 289 A CB -0.560 18.343 19.000 -0.162 0.000 0.826 289 A HN 0.846 nan 8.150 nan 0.000 0.469 290 H N -0.028 119.032 119.070 -0.016 0.000 2.525 290 H HA 0.161 4.717 4.556 -0.000 0.000 0.339 290 H C -1.614 173.698 175.328 -0.028 0.000 1.109 290 H CA -1.423 54.613 56.048 -0.021 0.000 1.352 290 H CB 1.105 30.854 29.762 -0.023 0.000 1.461 290 H HN 0.163 nan 8.280 nan 0.000 0.533 291 P HA -0.130 nan 4.420 nan 0.000 0.221 291 P C 0.784 178.094 177.300 0.015 0.000 1.150 291 P CA 1.043 64.157 63.100 0.023 0.000 0.800 291 P CB 0.359 32.066 31.700 0.011 0.000 0.787 292 N N -0.308 118.410 118.700 0.031 0.000 2.336 292 N HA 0.016 4.756 4.740 -0.000 0.000 0.189 292 N C 0.259 175.756 175.510 -0.022 0.000 1.113 292 N CA 0.138 53.186 53.050 -0.004 0.000 0.858 292 N CB -0.061 38.422 38.487 -0.007 0.000 0.970 292 N HN 0.109 nan 8.380 nan 0.000 0.471 293 I N 1.917 122.483 120.570 -0.006 0.000 2.336 293 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 293 I C -0.084 175.998 176.117 -0.057 0.000 0.991 293 I CA -0.770 60.511 61.300 -0.032 0.000 1.227 293 I CB 1.544 39.537 38.000 -0.012 0.000 1.366 293 I HN -0.066 nan 8.210 nan 0.000 0.466 294 L N 8.653 129.829 121.223 -0.079 0.000 2.283 294 L HA 0.396 4.735 4.340 -0.000 0.000 0.281 294 L C -2.327 174.484 176.870 -0.098 0.000 1.033 294 L CA -1.557 53.207 54.840 -0.126 0.000 0.848 294 L CB 1.200 43.137 42.059 -0.204 0.000 1.226 294 L HN 0.315 nan 8.230 nan 0.000 0.429 295 P HA 0.290 nan 4.420 nan 0.000 0.296 295 P C -0.907 176.266 177.300 -0.211 0.000 1.306 295 P CA -0.353 62.601 63.100 -0.243 0.000 0.818 295 P CB 1.938 33.335 31.700 -0.505 0.000 0.969 296 S N 1.689 117.360 115.700 -0.050 0.000 2.671 296 S HA 0.754 5.224 4.470 -0.000 0.000 0.299 296 S C -0.417 174.287 174.600 0.173 0.000 1.116 296 S CA -0.682 57.602 58.200 0.140 0.000 0.912 296 S CB 1.224 64.665 63.200 0.402 0.000 1.130 296 S HN 0.312 nan 8.310 nan 0.000 0.501 297 S N 1.007 116.918 115.700 0.351 0.000 2.568 297 S HA 0.803 5.273 4.470 -0.000 0.000 0.302 297 S C -0.130 174.604 174.600 0.223 0.000 1.082 297 S CA -0.753 57.682 58.200 0.391 0.000 1.009 297 S CB 1.681 65.233 63.200 0.586 0.000 1.069 297 S HN 0.998 nan 8.310 nan 0.000 0.500 298 T N -0.049 114.603 114.554 0.164 0.000 2.912 298 T HA 0.328 4.678 4.350 -0.000 0.000 0.280 298 T C 0.953 175.672 174.700 0.031 0.000 0.989 298 T CA -0.800 61.311 62.100 0.018 0.000 0.995 298 T CB 0.541 69.372 68.868 -0.062 0.000 1.077 298 T HN 0.579 nan 8.240 nan 0.000 0.531 299 N N 0.293 118.975 118.700 -0.030 0.000 2.446 299 N HA 0.039 4.779 4.740 -0.000 0.000 0.179 299 N C -0.963 174.550 175.510 0.003 0.000 1.054 299 N CA -0.169 52.869 53.050 -0.020 0.000 0.905 299 N CB -1.390 37.062 38.487 -0.058 0.000 0.973 299 N HN 0.423 nan 8.380 nan 0.000 0.448 300 P HA -0.092 nan 4.420 nan 0.000 0.220 300 P C 0.798 178.207 177.300 0.182 0.000 1.148 300 P CA 1.499 64.639 63.100 0.066 0.000 0.803 300 P CB -0.285 31.407 31.700 -0.014 0.000 0.782 301 T N -3.430 111.216 114.554 0.152 0.000 3.129 301 T HA 0.167 4.517 4.350 -0.000 0.000 0.251 301 T C 0.797 175.542 174.700 0.076 0.000 1.117 301 T CA -0.020 62.130 62.100 0.082 0.000 1.034 301 T CB -0.569 68.302 68.868 0.006 0.000 0.968 301 T HN -0.006 nan 8.240 nan 0.000 0.526 302 L N 3.339 124.601 121.223 0.066 0.000 2.265 302 L HA 0.509 4.849 4.340 -0.000 0.000 0.289 302 L C -2.359 174.535 176.870 0.039 0.000 1.033 302 L CA -2.329 52.538 54.840 0.045 0.000 0.814 302 L CB 1.536 43.596 42.059 0.001 0.000 1.203 302 L HN 0.018 nan 8.230 nan 0.000 0.423 303 P HA 0.109 nan 4.420 nan 0.000 0.289 303 P C -1.253 176.138 177.300 0.151 0.000 1.300 303 P CA -0.738 62.419 63.100 0.096 0.000 0.828 303 P CB 1.059 32.814 31.700 0.091 0.000 1.235 304 Y N 1.626 121.932 120.300 0.010 0.000 2.650 304 Y HA 0.248 4.798 4.550 -0.000 0.000 0.342 304 Y C 0.385 176.292 175.900 0.011 0.000 1.110 304 Y CA 0.254 58.354 58.100 0.000 0.000 1.438 304 Y CB -0.837 37.620 38.460 -0.005 0.000 1.181 304 Y HN 0.368 nan 8.280 nan 0.000 0.526 305 T N 2.612 117.141 114.554 -0.042 0.000 2.883 305 T HA 0.388 4.738 4.350 -0.000 0.000 0.284 305 T C 1.024 175.596 174.700 -0.213 0.000 1.041 305 T CA -0.871 61.135 62.100 -0.157 0.000 1.007 305 T CB 0.903 69.748 68.868 -0.038 0.000 1.220 305 T HN 0.586 nan 8.240 nan 0.000 0.552 306 L N 0.525 121.652 121.223 -0.160 0.000 2.191 306 L HA -0.019 4.321 4.340 -0.000 0.000 0.212 306 L C 2.057 178.903 176.870 -0.040 0.000 1.103 306 L CA 1.074 55.845 54.840 -0.115 0.000 0.769 306 L CB -0.398 41.613 42.059 -0.079 0.000 0.908 306 L HN 0.664 nan 8.230 nan 0.000 0.438 307 N N -1.441 117.252 118.700 -0.012 0.000 2.280 307 N HA -0.006 4.734 4.740 -0.000 0.000 0.192 307 N C 1.555 177.102 175.510 0.060 0.000 1.109 307 N CA 0.403 53.465 53.050 0.019 0.000 0.855 307 N CB 0.417 38.912 38.487 0.013 0.000 0.974 307 N HN 0.201 nan 8.380 nan 0.000 0.482 308 T N 2.224 116.828 114.554 0.083 0.000 2.607 308 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 308 T C 1.993 176.788 174.700 0.158 0.000 1.049 308 T CA 0.813 63.000 62.100 0.144 0.000 1.162 308 T CB 0.050 69.017 68.868 0.165 0.000 0.863 308 T HN 0.102 nan 8.240 nan 0.000 0.424 309 I N 1.888 122.519 120.570 0.102 0.000 2.142 309 I HA -0.155 4.015 4.170 -0.000 0.000 0.240 309 I C 2.107 178.279 176.117 0.092 0.000 1.078 309 I CA 1.638 62.977 61.300 0.063 0.000 1.343 309 I CB -1.479 36.559 38.000 0.064 0.000 1.046 309 I HN 0.298 nan 8.210 nan 0.000 0.405 310 D N 0.857 121.302 120.400 0.075 0.000 2.133 310 D HA -0.256 4.384 4.640 -0.000 0.000 0.195 310 D C 1.950 178.281 176.300 0.051 0.000 0.997 310 D CA 1.612 55.644 54.000 0.052 0.000 0.840 310 D CB -0.175 40.645 40.800 0.034 0.000 0.947 310 D HN 0.637 nan 8.370 nan 0.000 0.452 311 E N -0.624 119.619 120.200 0.072 0.000 2.435 311 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 311 E C 1.332 177.922 176.600 -0.017 0.000 1.029 311 E CA 0.655 57.066 56.400 0.018 0.000 0.865 311 E CB -0.113 29.583 29.700 -0.007 0.000 0.833 311 E HN 0.373 nan 8.360 nan 0.000 0.510 312 H N 0.136 119.183 119.070 -0.037 0.000 2.395 312 H HA 0.003 4.559 4.556 -0.000 0.000 0.299 312 H C 1.758 177.046 175.328 -0.067 0.000 1.070 312 H CA 1.369 57.385 56.048 -0.053 0.000 1.356 312 H CB 0.015 29.748 29.762 -0.048 0.000 1.401 312 H HN 0.162 nan 8.280 nan 0.000 0.524 313 L N 0.738 121.986 121.223 0.042 0.000 1.971 313 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 313 L C 1.515 178.354 176.870 -0.052 0.000 1.072 313 L CA 2.003 56.835 54.840 -0.013 0.000 0.758 313 L CB -0.517 41.536 42.059 -0.009 0.000 0.889 313 L HN 0.264 nan 8.230 nan 0.000 0.433 314 D N -0.990 119.376 120.400 -0.056 0.000 2.219 314 D HA -0.205 4.435 4.640 -0.000 0.000 0.205 314 D C 2.165 178.399 176.300 -0.109 0.000 0.970 314 D CA 1.396 55.353 54.000 -0.073 0.000 0.851 314 D CB -0.017 40.745 40.800 -0.063 0.000 0.943 314 D HN 0.481 nan 8.370 nan 0.000 0.488 315 M N 0.466 119.983 119.600 -0.138 0.000 2.132 315 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 315 M C 1.977 178.164 176.300 -0.189 0.000 1.065 315 M CA 0.901 56.085 55.300 -0.195 0.000 1.122 315 M CB 0.052 32.483 32.600 -0.282 0.000 1.365 315 M HN -0.031 nan 8.290 nan 0.000 0.411 316 L N 1.261 122.401 121.223 -0.138 0.000 1.989 316 L HA -0.243 4.097 4.340 -0.000 0.000 0.211 316 L C 2.309 179.134 176.870 -0.076 0.000 1.071 316 L CA 1.995 56.786 54.840 -0.082 0.000 0.749 316 L CB -1.109 40.902 42.059 -0.080 0.000 0.890 316 L HN 0.431 nan 8.230 nan 0.000 0.431 317 M N -1.136 118.409 119.600 -0.093 0.000 2.065 317 M HA -0.207 4.273 4.480 -0.000 0.000 0.259 317 M C 2.271 178.506 176.300 -0.108 0.000 1.071 317 M CA 1.635 56.891 55.300 -0.074 0.000 1.109 317 M CB -1.208 31.357 32.600 -0.059 0.000 1.313 317 M HN 0.126 nan 8.290 nan 0.000 0.408 318 V N 0.716 120.541 119.914 -0.148 0.000 2.332 318 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 318 V C 2.752 178.643 176.094 -0.339 0.000 1.055 318 V CA 1.910 64.093 62.300 -0.195 0.000 1.038 318 V CB -1.414 30.299 31.823 -0.184 0.000 0.651 318 V HN 0.537 nan 8.190 nan 0.000 0.450 319 A N -1.272 121.309 122.820 -0.399 0.000 1.972 319 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 319 A C 1.841 178.916 177.584 -0.849 0.000 1.169 319 A CA 1.544 53.212 52.037 -0.614 0.000 0.635 319 A CB -0.492 18.116 19.000 -0.654 0.000 0.810 319 A HN 0.714 nan 8.150 nan 0.000 0.446 320 H N -1.804 117.059 119.070 -0.345 0.000 2.592 320 H HA 0.139 4.695 4.556 -0.000 0.000 0.279 320 H C -0.412 174.760 175.328 -0.260 0.000 1.089 320 H CA 0.146 56.017 56.048 -0.295 0.000 1.150 320 H CB 0.057 29.789 29.762 -0.049 0.000 1.575 320 H HN 0.659 nan 8.280 nan 0.000 0.547 321 H N -0.356 118.733 119.070 0.032 0.000 2.770 321 H HA -0.155 4.401 4.556 -0.000 0.000 0.309 321 H C 0.036 175.393 175.328 0.048 0.000 1.206 321 H CA 0.373 56.431 56.048 0.017 0.000 1.147 321 H CB -2.376 27.388 29.762 0.004 0.000 1.422 321 H HN 0.340 nan 8.280 nan 0.000 0.420 322 L N 0.617 121.905 121.223 0.107 0.000 2.357 322 L HA 0.308 4.648 4.340 -0.000 0.000 0.273 322 L C 1.015 177.927 176.870 0.071 0.000 1.080 322 L CA -0.324 54.584 54.840 0.113 0.000 0.803 322 L CB 1.054 43.178 42.059 0.109 0.000 1.174 322 L HN 0.010 nan 8.230 nan 0.000 0.443 323 D N 3.517 123.960 120.400 0.072 0.000 2.373 323 D HA 0.195 4.835 4.640 -0.000 0.000 0.227 323 D C -1.632 174.692 176.300 0.039 0.000 1.091 323 D CA -1.982 52.046 54.000 0.047 0.000 0.840 323 D CB 1.877 42.704 40.800 0.045 0.000 1.060 323 D HN 0.224 nan 8.370 nan 0.000 0.502 324 P HA -0.076 nan 4.420 nan 0.000 0.228 324 P C 0.422 177.734 177.300 0.019 0.000 1.151 324 P CA 0.597 63.706 63.100 0.016 0.000 0.770 324 P CB 0.720 32.423 31.700 0.004 0.000 0.786 325 D N -0.215 120.198 120.400 0.021 0.000 2.305 325 D HA 0.094 4.734 4.640 -0.000 0.000 0.206 325 D C 0.993 177.309 176.300 0.025 0.000 0.974 325 D CA 0.326 54.337 54.000 0.020 0.000 0.871 325 D CB 0.151 40.961 40.800 0.016 0.000 0.947 325 D HN 0.280 nan 8.370 nan 0.000 0.516 326 I N 1.600 122.190 120.570 0.033 0.000 2.308 326 I HA 0.095 4.265 4.170 -0.000 0.000 0.293 326 I C 1.595 177.741 176.117 0.048 0.000 1.078 326 I CA -0.531 60.793 61.300 0.039 0.000 1.292 326 I CB 1.605 39.632 38.000 0.046 0.000 1.423 326 I HN -0.162 nan 8.210 nan 0.000 0.493 327 A N 5.370 128.215 122.820 0.041 0.000 1.915 327 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 327 A C 2.040 179.663 177.584 0.065 0.000 1.198 327 A CA 1.923 53.988 52.037 0.046 0.000 0.647 327 A CB -0.360 18.663 19.000 0.037 0.000 0.825 327 A HN 0.745 nan 8.150 nan 0.000 0.456 328 E N -0.006 120.234 120.200 0.067 0.000 2.153 328 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 328 E C 1.528 178.223 176.600 0.158 0.000 0.988 328 E CA 1.252 57.703 56.400 0.087 0.000 0.811 328 E CB -0.243 29.486 29.700 0.049 0.000 0.746 328 E HN 0.614 nan 8.360 nan 0.000 0.466 329 D N -0.751 119.740 120.400 0.152 0.000 2.149 329 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 329 D C 1.982 178.381 176.300 0.166 0.000 0.972 329 D CA 1.312 55.449 54.000 0.229 0.000 0.835 329 D CB -0.038 40.852 40.800 0.149 0.000 0.966 329 D HN 0.247 nan 8.370 nan 0.000 0.476 330 V N -1.389 118.580 119.914 0.090 0.000 2.719 330 V HA 0.124 4.244 4.120 -0.000 0.000 0.252 330 V C 2.150 178.267 176.094 0.039 0.000 1.065 330 V CA 1.248 63.570 62.300 0.036 0.000 1.086 330 V CB -0.696 31.143 31.823 0.027 0.000 0.700 330 V HN 0.082 nan 8.190 nan 0.000 0.467 331 A N 1.018 123.891 122.820 0.088 0.000 1.930 331 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 331 A C 2.041 179.704 177.584 0.131 0.000 1.175 331 A CA 1.746 53.841 52.037 0.096 0.000 0.627 331 A CB -0.805 18.258 19.000 0.104 0.000 0.815 331 A HN 0.849 nan 8.150 nan 0.000 0.443 332 F N 0.418 120.372 119.950 0.007 0.000 2.558 332 F HA 0.299 4.826 4.527 -0.000 0.000 0.298 332 F C 2.011 177.802 175.800 -0.014 0.000 1.119 332 F CA 0.648 58.645 58.000 -0.004 0.000 1.451 332 F CB -0.240 38.753 39.000 -0.011 0.000 1.091 332 F HN 0.191 nan 8.300 nan 0.000 0.563 333 A N 0.817 123.389 122.820 -0.412 0.000 1.898 333 A HA -0.068 4.252 4.320 -0.000 0.000 0.214 333 A C 2.165 179.617 177.584 -0.220 0.000 1.183 333 A CA 1.387 53.147 52.037 -0.461 0.000 0.622 333 A CB -0.754 18.080 19.000 -0.277 0.000 0.824 333 A HN 0.509 nan 8.150 nan 0.000 0.444 334 E N 0.601 120.739 120.200 -0.104 0.000 2.110 334 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 334 E C 2.199 178.772 176.600 -0.045 0.000 0.988 334 E CA 1.475 57.848 56.400 -0.046 0.000 0.804 334 E CB -0.229 29.472 29.700 0.002 0.000 0.745 334 E HN 0.765 nan 8.360 nan 0.000 0.458 335 S N 0.621 116.303 115.700 -0.030 0.000 2.500 335 S HA -0.078 4.392 4.470 -0.000 0.000 0.239 335 S C 1.749 176.278 174.600 -0.118 0.000 0.989 335 S CA 0.600 58.776 58.200 -0.041 0.000 0.951 335 S CB -0.075 63.149 63.200 0.040 0.000 0.759 335 S HN 0.151 nan 8.310 nan 0.000 0.523 336 R N 0.130 120.556 120.500 -0.124 0.000 2.210 336 R HA 0.375 4.715 4.340 -0.000 0.000 0.203 336 R C -0.065 176.150 176.300 -0.141 0.000 1.010 336 R CA 0.375 56.392 56.100 -0.138 0.000 1.008 336 R CB 0.016 30.216 30.300 -0.166 0.000 0.923 336 R HN 0.434 nan 8.270 nan 0.000 0.469 337 I N 1.992 122.487 120.570 -0.125 0.000 2.287 337 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 337 I C -0.497 175.550 176.117 -0.117 0.000 1.069 337 I CA -0.157 61.070 61.300 -0.122 0.000 1.237 337 I CB 1.005 38.960 38.000 -0.074 0.000 1.418 337 I HN -0.128 nan 8.210 nan 0.000 0.481 338 R N 4.950 125.361 120.500 -0.148 0.000 2.476 338 R HA 0.367 4.707 4.340 -0.000 0.000 0.305 338 R C 0.884 177.111 176.300 -0.120 0.000 0.965 338 R CA -0.809 55.224 56.100 -0.111 0.000 0.867 338 R CB 2.148 32.332 30.300 -0.194 0.000 1.176 338 R HN 0.489 nan 8.270 nan 0.000 0.447 339 R N 1.818 122.273 120.500 -0.075 0.000 2.105 339 R HA -0.217 4.123 4.340 -0.000 0.000 0.239 339 R C 0.592 176.761 176.300 -0.219 0.000 1.135 339 R CA 1.944 57.955 56.100 -0.148 0.000 0.967 339 R CB 0.273 30.565 30.300 -0.014 0.000 0.861 339 R HN 0.562 nan 8.270 nan 0.000 0.442 340 E N -0.507 119.645 120.200 -0.080 0.000 2.058 340 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 340 E C 2.009 178.547 176.600 -0.104 0.000 0.997 340 E CA 2.245 58.611 56.400 -0.057 0.000 0.801 340 E CB -0.277 29.458 29.700 0.059 0.000 0.746 340 E HN 0.586 nan 8.360 nan 0.000 0.450 341 T N -1.343 113.147 114.554 -0.107 0.000 2.942 341 T HA 0.037 4.387 4.350 -0.000 0.000 0.265 341 T C 2.016 176.613 174.700 -0.172 0.000 1.062 341 T CA 0.487 62.522 62.100 -0.109 0.000 1.139 341 T CB -0.272 68.550 68.868 -0.077 0.000 0.883 341 T HN 0.029 nan 8.240 nan 0.000 0.468 342 I N 1.811 122.230 120.570 -0.252 0.000 2.252 342 I HA -0.078 4.092 4.170 -0.000 0.000 0.245 342 I C 3.156 179.024 176.117 -0.415 0.000 1.102 342 I CA 1.193 62.301 61.300 -0.320 0.000 1.385 342 I CB -0.493 37.270 38.000 -0.396 0.000 1.064 342 I HN 0.333 nan 8.210 nan 0.000 0.414 343 A N 0.608 123.075 122.820 -0.588 0.000 1.930 343 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 343 A C 2.511 179.993 177.584 -0.170 0.000 1.175 343 A CA 1.674 53.436 52.037 -0.459 0.000 0.627 343 A CB -0.718 18.047 19.000 -0.391 0.000 0.815 343 A HN 0.422 nan 8.150 nan 0.000 0.443 344 A N -0.305 122.416 122.820 -0.164 0.000 1.930 344 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 344 A C 1.982 179.456 177.584 -0.183 0.000 1.175 344 A CA 1.664 53.626 52.037 -0.125 0.000 0.627 344 A CB -0.535 18.403 19.000 -0.103 0.000 0.815 344 A HN 0.674 nan 8.150 nan 0.000 0.443 345 E N 0.033 120.090 120.200 -0.238 0.000 2.097 345 E HA -0.290 4.059 4.350 -0.000 0.000 0.196 345 E C 1.165 177.626 176.600 -0.232 0.000 1.000 345 E CA 1.653 57.822 56.400 -0.386 0.000 0.804 345 E CB -0.176 29.371 29.700 -0.256 0.000 0.740 345 E HN 0.547 nan 8.360 nan 0.000 0.454 346 D N -0.161 120.205 120.400 -0.057 0.000 2.117 346 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 346 D C 2.042 178.381 176.300 0.066 0.000 0.987 346 D CA 1.050 55.088 54.000 0.063 0.000 0.829 346 D CB -0.143 40.712 40.800 0.092 0.000 0.961 346 D HN 0.130 nan 8.370 nan 0.000 0.460 347 V N 0.893 120.807 119.914 0.001 0.000 2.358 347 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 347 V C 2.585 178.664 176.094 -0.026 0.000 1.047 347 V CA 0.952 63.259 62.300 0.013 0.000 1.035 347 V CB -0.428 31.394 31.823 -0.001 0.000 0.658 347 V HN 0.197 nan 8.190 nan 0.000 0.452 348 L N -0.817 120.317 121.223 -0.148 0.000 2.131 348 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 348 L C 2.459 179.214 176.870 -0.191 0.000 1.092 348 L CA 1.644 56.358 54.840 -0.211 0.000 0.759 348 L CB -0.663 41.132 42.059 -0.439 0.000 0.903 348 L HN 0.420 nan 8.230 nan 0.000 0.435 349 H N -1.035 117.940 119.070 -0.158 0.000 2.363 349 H HA -0.173 4.383 4.556 -0.000 0.000 0.301 349 H C 1.929 177.172 175.328 -0.142 0.000 1.074 349 H CA 1.572 57.549 56.048 -0.117 0.000 1.354 349 H CB 0.190 29.898 29.762 -0.091 0.000 1.397 349 H HN 0.187 nan 8.280 nan 0.000 0.516 350 D N -0.075 120.411 120.400 0.143 0.000 2.178 350 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 350 D C 1.635 178.009 176.300 0.123 0.000 0.980 350 D CA 0.738 54.862 54.000 0.207 0.000 0.842 350 D CB 0.019 40.963 40.800 0.241 0.000 0.948 350 D HN 0.324 nan 8.370 nan 0.000 0.472 351 L N -1.490 119.776 121.223 0.071 0.000 2.492 351 L HA 0.222 4.562 4.340 -0.000 0.000 0.223 351 L C 1.612 178.521 176.870 0.066 0.000 1.132 351 L CA 0.531 55.413 54.840 0.071 0.000 0.850 351 L CB 0.020 42.106 42.059 0.045 0.000 0.966 351 L HN 0.233 nan 8.230 nan 0.000 0.454 352 G N -0.497 108.319 108.800 0.028 0.000 2.131 352 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.223 352 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.223 352 G C 0.880 175.802 174.900 0.036 0.000 0.990 352 G CA 0.351 45.468 45.100 0.028 0.000 0.671 352 G HN 0.389 nan 8.290 nan 0.000 0.521 353 A N -0.904 121.944 122.820 0.046 0.000 1.975 353 A HA 0.627 4.947 4.320 -0.000 0.000 0.215 353 A C 0.661 178.352 177.584 0.178 0.000 1.170 353 A CA 0.821 52.918 52.037 0.100 0.000 0.656 353 A CB 0.035 19.107 19.000 0.119 0.000 0.821 353 A HN 0.589 nan 8.150 nan 0.000 0.449 354 F N -0.023 119.776 119.950 -0.252 0.000 2.415 354 F HA 0.421 4.948 4.527 -0.000 0.000 0.348 354 F C 1.132 176.792 175.800 -0.234 0.000 1.119 354 F CA -0.978 56.807 58.000 -0.357 0.000 1.069 354 F CB 1.926 40.381 39.000 -0.908 0.000 1.124 354 F HN -0.022 nan 8.300 nan 0.000 0.472 355 S N 2.595 118.291 115.700 -0.008 0.000 2.511 355 S HA 0.340 4.810 4.470 -0.000 0.000 0.214 355 S C -0.174 174.458 174.600 0.054 0.000 0.997 355 S CA 0.047 58.252 58.200 0.009 0.000 0.908 355 S CB 0.246 63.418 63.200 -0.047 0.000 0.803 355 S HN 0.257 nan 8.310 nan 0.000 0.504 356 L N 1.293 122.597 121.223 0.134 0.000 2.415 356 L HA 0.572 4.912 4.340 -0.000 0.000 0.256 356 L C -0.225 176.810 176.870 0.275 0.000 1.010 356 L CA -0.369 54.567 54.840 0.161 0.000 0.826 356 L CB 1.973 44.093 42.059 0.102 0.000 1.405 356 L HN 0.039 nan 8.230 nan 0.000 0.410 357 T N -1.960 112.711 114.554 0.194 0.000 2.893 357 T HA 0.952 5.302 4.350 -0.000 0.000 0.291 357 T C -0.401 174.373 174.700 0.123 0.000 1.028 357 T CA -0.540 61.645 62.100 0.142 0.000 0.995 357 T CB 1.862 70.746 68.868 0.026 0.000 1.051 357 T HN 0.765 nan 8.240 nan 0.000 0.470 358 S N 0.496 116.242 115.700 0.077 0.000 2.688 358 S HA 0.672 5.142 4.470 -0.000 0.000 0.275 358 S C 0.902 175.471 174.600 -0.052 0.000 1.175 358 S CA -0.109 58.112 58.200 0.034 0.000 0.818 358 S CB 1.154 64.395 63.200 0.068 0.000 1.157 358 S HN 1.106 nan 8.310 nan 0.000 0.482 359 S N 0.097 115.736 115.700 -0.102 0.000 2.370 359 S HA 0.241 4.711 4.470 -0.000 0.000 0.214 359 S C 0.358 174.802 174.600 -0.260 0.000 1.033 359 S CA 1.187 59.298 58.200 -0.149 0.000 0.941 359 S CB -0.775 62.349 63.200 -0.127 0.000 0.886 359 S HN 1.267 nan 8.310 nan 0.000 0.521 360 D N 1.483 121.662 120.400 -0.368 0.000 2.865 360 D HA -0.131 4.509 4.640 -0.000 0.000 0.231 360 D C -0.360 175.824 176.300 -0.194 0.000 1.069 360 D CA 0.719 54.404 54.000 -0.524 0.000 0.761 360 D CB -1.956 38.460 40.800 -0.640 0.000 1.081 360 D HN 0.680 nan 8.370 nan 0.000 0.440 361 S N 0.702 116.335 115.700 -0.110 0.000 2.885 361 S HA -0.024 4.446 4.470 -0.000 0.000 0.334 361 S C 1.046 175.567 174.600 -0.131 0.000 1.224 361 S CA 1.140 59.274 58.200 -0.110 0.000 1.080 361 S CB 0.779 63.913 63.200 -0.109 0.000 0.801 361 S HN 0.450 nan 8.310 nan 0.000 0.510 362 Q N 0.201 119.906 119.800 -0.159 0.000 2.468 362 Q HA -0.282 4.058 4.340 -0.000 0.000 0.256 362 Q C 0.339 176.170 176.000 -0.283 0.000 0.984 362 Q CA 1.067 56.764 55.803 -0.177 0.000 1.110 362 Q CB -2.049 26.631 28.738 -0.097 0.000 1.527 362 Q HN 1.269 nan 8.270 nan 0.000 0.535 363 A N 0.095 122.684 122.820 -0.385 0.000 3.292 363 A HA 0.577 4.897 4.320 -0.000 0.000 0.231 363 A C 0.380 177.737 177.584 -0.379 0.000 0.952 363 A CA 0.159 51.884 52.037 -0.519 0.000 1.044 363 A CB 0.478 18.846 19.000 -1.053 0.000 1.236 363 A HN 0.336 nan 8.150 nan 0.000 0.525 364 M N -1.299 118.118 119.600 -0.304 0.000 2.758 364 M HA -0.135 4.345 4.480 -0.000 0.000 0.223 364 M C 0.134 176.304 176.300 -0.217 0.000 0.490 364 M CA 0.888 56.037 55.300 -0.251 0.000 0.713 364 M CB -1.405 31.077 32.600 -0.196 0.000 2.624 364 M HN 1.264 nan 8.290 nan 0.000 0.718 365 G N 0.578 109.249 108.800 -0.214 0.000 2.556 365 G HA2 0.663 4.623 3.960 -0.000 0.000 0.294 365 G HA3 0.663 4.623 3.960 -0.000 0.000 0.294 365 G C -1.431 173.373 174.900 -0.161 0.000 1.516 365 G CA -1.142 43.848 45.100 -0.183 0.000 0.824 365 G HN 0.249 nan 8.290 nan 0.000 0.535 366 R N 1.638 122.056 120.500 -0.136 0.000 2.275 366 R HA 0.397 4.737 4.340 -0.000 0.000 0.326 366 R C 0.973 177.206 176.300 -0.111 0.000 0.973 366 R CA -0.743 55.283 56.100 -0.123 0.000 0.854 366 R CB 2.088 32.315 30.300 -0.122 0.000 1.156 366 R HN 0.318 nan 8.270 nan 0.000 0.487 367 V N 2.822 122.674 119.914 -0.102 0.000 2.568 367 V HA -0.160 3.960 4.120 -0.000 0.000 0.253 367 V C 1.504 177.553 176.094 -0.075 0.000 1.072 367 V CA 2.549 64.795 62.300 -0.089 0.000 1.084 367 V CB -0.081 31.695 31.823 -0.078 0.000 0.676 367 V HN 1.007 nan 8.190 nan 0.000 0.469 368 G N -1.413 107.342 108.800 -0.075 0.000 3.284 368 G HA2 0.104 4.064 3.960 -0.000 0.000 0.236 368 G HA3 0.104 4.064 3.960 -0.000 0.000 0.236 368 G C 0.782 175.640 174.900 -0.071 0.000 1.158 368 G CA 0.090 45.152 45.100 -0.063 0.000 0.774 368 G HN 0.612 nan 8.290 nan 0.000 0.545 369 E N 0.034 120.179 120.200 -0.092 0.000 2.734 369 E HA 0.150 4.500 4.350 -0.000 0.000 0.211 369 E C 1.466 177.997 176.600 -0.115 0.000 0.991 369 E CA -0.234 56.107 56.400 -0.099 0.000 1.065 369 E CB 1.105 30.737 29.700 -0.112 0.000 1.047 369 E HN 0.188 nan 8.360 nan 0.000 0.470 370 V N 0.856 120.691 119.914 -0.131 0.000 2.307 370 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 370 V C 2.162 178.078 176.094 -0.296 0.000 1.045 370 V CA 1.576 63.775 62.300 -0.167 0.000 1.024 370 V CB -0.265 31.477 31.823 -0.135 0.000 0.651 370 V HN 0.348 nan 8.190 nan 0.000 0.449 371 I N -0.317 120.020 120.570 -0.389 0.000 2.163 371 I HA -0.250 3.920 4.170 -0.000 0.000 0.240 371 I C 2.470 178.427 176.117 -0.266 0.000 1.081 371 I CA 1.682 62.617 61.300 -0.608 0.000 1.353 371 I CB -0.400 37.312 38.000 -0.480 0.000 1.054 371 I HN 0.287 nan 8.210 nan 0.000 0.407 372 L N 1.014 122.167 121.223 -0.118 0.000 2.013 372 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 372 L C 2.832 179.690 176.870 -0.020 0.000 1.073 372 L CA 1.802 56.630 54.840 -0.021 0.000 0.753 372 L CB -0.295 41.759 42.059 -0.009 0.000 0.890 372 L HN 0.147 nan 8.230 nan 0.000 0.432 373 R N -1.113 119.342 120.500 -0.076 0.000 2.115 373 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 373 R C 2.128 178.373 176.300 -0.091 0.000 1.111 373 R CA 1.681 57.743 56.100 -0.063 0.000 0.976 373 R CB -0.507 29.753 30.300 -0.066 0.000 0.870 373 R HN 0.433 nan 8.270 nan 0.000 0.445 374 T N -0.132 114.307 114.554 -0.193 0.000 2.746 374 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 374 T C 1.226 175.746 174.700 -0.300 0.000 1.039 374 T CA 1.331 63.272 62.100 -0.264 0.000 1.142 374 T CB -0.198 68.449 68.868 -0.368 0.000 0.866 374 T HN 0.449 nan 8.240 nan 0.000 0.444 375 W N 1.433 122.729 121.300 -0.007 0.000 2.467 375 W HA 0.029 4.689 4.660 -0.000 0.000 0.275 375 W C 2.622 179.101 176.519 -0.066 0.000 1.239 375 W CA -0.011 57.306 57.345 -0.046 0.000 1.266 375 W CB -0.199 29.239 29.460 -0.036 0.000 1.112 375 W HN 0.299 nan 8.180 nan 0.000 0.576 376 Q N -0.018 119.855 119.800 0.123 0.000 2.119 376 Q HA -0.165 4.175 4.340 -0.000 0.000 0.201 376 Q C 2.135 178.189 176.000 0.090 0.000 0.972 376 Q CA 1.564 57.419 55.803 0.087 0.000 0.847 376 Q CB -0.447 28.316 28.738 0.043 0.000 0.903 376 Q HN 0.184 nan 8.270 nan 0.000 0.433 377 V N 0.897 120.829 119.914 0.030 0.000 2.307 377 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 377 V C 2.285 178.345 176.094 -0.057 0.000 1.045 377 V CA 1.820 64.144 62.300 0.039 0.000 1.024 377 V CB -1.007 30.865 31.823 0.082 0.000 0.651 377 V HN 0.397 nan 8.190 nan 0.000 0.449 378 A N -0.212 122.398 122.820 -0.349 0.000 1.908 378 A HA -0.340 3.980 4.320 -0.000 0.000 0.218 378 A C 2.111 179.603 177.584 -0.153 0.000 1.181 378 A CA 2.569 54.215 52.037 -0.652 0.000 0.627 378 A CB -0.926 17.584 19.000 -0.817 0.000 0.818 378 A HN 0.805 nan 8.150 nan 0.000 0.445 379 H N -0.714 118.308 119.070 -0.080 0.000 2.293 379 H HA -0.078 4.478 4.556 -0.000 0.000 0.300 379 H C 2.234 177.560 175.328 -0.003 0.000 1.082 379 H CA 1.940 57.979 56.048 -0.016 0.000 1.308 379 H CB -0.018 29.750 29.762 0.010 0.000 1.375 379 H HN 0.233 nan 8.280 nan 0.000 0.495 380 R N -0.229 120.304 120.500 0.053 0.000 2.120 380 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 380 R C 2.163 178.445 176.300 -0.029 0.000 1.123 380 R CA 1.149 57.254 56.100 0.008 0.000 0.975 380 R CB -0.276 30.084 30.300 0.099 0.000 0.866 380 R HN 0.484 nan 8.270 nan 0.000 0.446 381 M N 0.226 119.822 119.600 -0.006 0.000 2.236 381 M HA -0.068 4.412 4.480 -0.000 0.000 0.266 381 M C 2.107 178.406 176.300 -0.002 0.000 1.070 381 M CA 1.170 56.486 55.300 0.027 0.000 1.137 381 M CB -0.620 32.038 32.600 0.097 0.000 1.378 381 M HN 0.040 nan 8.290 nan 0.000 0.426 382 K N 0.444 120.815 120.400 -0.048 0.000 2.025 382 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 382 K C 1.853 178.412 176.600 -0.068 0.000 1.049 382 K CA 1.212 57.476 56.287 -0.039 0.000 0.933 382 K CB 0.027 32.500 32.500 -0.045 0.000 0.714 382 K HN 0.058 nan 8.250 nan 0.000 0.438 383 V N 1.643 121.464 119.914 -0.156 0.000 2.332 383 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 383 V C 2.325 178.383 176.094 -0.060 0.000 1.055 383 V CA 2.002 64.217 62.300 -0.143 0.000 1.038 383 V CB -0.412 31.264 31.823 -0.246 0.000 0.651 383 V HN 0.455 nan 8.190 nan 0.000 0.450 384 Q N -0.785 118.992 119.800 -0.038 0.000 2.123 384 Q HA 0.014 4.354 4.340 -0.000 0.000 0.196 384 Q C 2.242 178.248 176.000 0.009 0.000 0.958 384 Q CA 0.879 56.679 55.803 -0.004 0.000 0.841 384 Q CB 0.015 28.761 28.738 0.014 0.000 0.915 384 Q HN 0.568 nan 8.270 nan 0.000 0.455 385 R N -0.108 120.403 120.500 0.018 0.000 2.334 385 R HA 0.245 4.585 4.340 -0.000 0.000 0.212 385 R C 0.745 177.062 176.300 0.030 0.000 0.897 385 R CA 0.489 56.607 56.100 0.030 0.000 1.056 385 R CB 0.924 31.253 30.300 0.048 0.000 1.046 385 R HN 0.219 nan 8.270 nan 0.000 0.513 386 G N 1.493 110.306 108.800 0.022 0.000 2.593 386 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.237 386 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.237 386 G C -0.301 174.626 174.900 0.044 0.000 1.312 386 G CA -0.411 44.704 45.100 0.025 0.000 0.896 386 G HN 0.432 nan 8.290 nan 0.000 0.574 387 A N -0.539 122.308 122.820 0.045 0.000 2.445 387 A HA 0.608 4.928 4.320 -0.000 0.000 0.242 387 A C 0.904 178.534 177.584 0.077 0.000 1.075 387 A CA 0.248 52.324 52.037 0.064 0.000 0.777 387 A CB 0.078 19.107 19.000 0.048 0.000 1.013 387 A HN 1.208 nan 8.150 nan 0.000 0.493 388 L N 1.449 122.741 121.223 0.115 0.000 2.436 388 L HA 0.269 4.609 4.340 -0.000 0.000 0.265 388 L C 1.822 178.728 176.870 0.060 0.000 1.168 388 L CA -0.024 54.893 54.840 0.128 0.000 0.815 388 L CB 0.821 43.028 42.059 0.247 0.000 1.109 388 L HN 0.902 nan 8.230 nan 0.000 0.462 389 A N 1.408 124.245 122.820 0.029 0.000 2.024 389 A HA -0.164 4.155 4.320 -0.000 0.000 0.220 389 A C 1.804 179.336 177.584 -0.088 0.000 1.164 389 A CA 1.506 53.531 52.037 -0.019 0.000 0.643 389 A CB -0.396 18.593 19.000 -0.018 0.000 0.806 389 A HN 0.875 nan 8.150 nan 0.000 0.451 390 E N 0.496 120.592 120.200 -0.174 0.000 2.435 390 E HA 0.037 4.386 4.350 -0.000 0.000 0.195 390 E C 0.194 176.615 176.600 -0.298 0.000 1.029 390 E CA 0.016 56.158 56.400 -0.429 0.000 0.865 390 E CB 0.107 29.094 29.700 -1.188 0.000 0.833 390 E HN 0.485 nan 8.360 nan 0.000 0.510 391 E N 0.707 120.865 120.200 -0.070 0.000 2.413 391 E HA 0.081 4.431 4.350 -0.000 0.000 0.263 391 E C -0.258 176.339 176.600 -0.004 0.000 1.015 391 E CA 0.456 56.873 56.400 0.028 0.000 0.916 391 E CB 1.256 31.004 29.700 0.080 0.000 0.947 391 E HN -0.109 nan 8.360 nan 0.000 0.440 392 T N 0.759 115.325 114.554 0.021 0.000 2.886 392 T HA 0.578 4.928 4.350 -0.000 0.000 0.292 392 T C -0.260 174.455 174.700 0.025 0.000 1.012 392 T CA 0.437 62.544 62.100 0.011 0.000 0.982 392 T CB 1.118 69.990 68.868 0.007 0.000 1.018 392 T HN 0.715 nan 8.240 nan 0.000 0.451 393 G N 3.420 112.228 108.800 0.014 0.000 2.829 393 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.628 393 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.628 393 G C -0.530 174.375 174.900 0.008 0.000 1.412 393 G CA -0.215 44.892 45.100 0.011 0.000 0.864 393 G HN 0.830 nan 8.290 nan 0.000 0.544 394 D N 1.488 121.884 120.400 -0.007 0.000 2.639 394 D HA 0.427 5.067 4.640 -0.000 0.000 0.233 394 D C 0.743 177.032 176.300 -0.019 0.000 1.161 394 D CA 0.364 54.349 54.000 -0.025 0.000 1.003 394 D CB -0.478 40.289 40.800 -0.056 0.000 1.034 394 D HN 0.705 nan 8.370 nan 0.000 0.514 395 N N -0.414 118.300 118.700 0.023 0.000 3.020 395 N HA 0.157 4.897 4.740 -0.000 0.000 0.248 395 N C -0.946 174.617 175.510 0.088 0.000 1.480 395 N CA -0.719 52.369 53.050 0.062 0.000 0.874 395 N CB 1.123 39.649 38.487 0.065 0.000 1.433 395 N HN -0.146 nan 8.380 nan 0.000 0.530 396 D N -0.244 120.223 120.400 0.111 0.000 2.501 396 D HA 0.111 4.751 4.640 -0.000 0.000 0.226 396 D C 0.285 176.645 176.300 0.100 0.000 1.198 396 D CA -0.230 53.837 54.000 0.112 0.000 0.830 396 D CB 0.004 40.870 40.800 0.110 0.000 1.014 396 D HN 0.357 nan 8.370 nan 0.000 0.496 397 N N 0.947 119.701 118.700 0.089 0.000 2.037 397 N HA -0.213 4.527 4.740 -0.000 0.000 0.196 397 N C 1.413 176.969 175.510 0.077 0.000 1.034 397 N CA 0.909 53.999 53.050 0.067 0.000 0.861 397 N CB -0.507 38.022 38.487 0.070 0.000 1.039 397 N HN 0.282 nan 8.380 nan 0.000 0.427 398 F N 1.484 121.442 119.950 0.013 0.000 2.134 398 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 398 F C 2.557 178.377 175.800 0.034 0.000 1.097 398 F CA 1.213 59.201 58.000 -0.021 0.000 1.264 398 F CB -0.070 38.913 39.000 -0.028 0.000 1.001 398 F HN -0.061 nan 8.300 nan 0.000 0.479 399 R N -0.043 120.493 120.500 0.060 0.000 2.096 399 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 399 R C 1.987 178.387 176.300 0.166 0.000 1.127 399 R CA 1.702 57.870 56.100 0.115 0.000 0.968 399 R CB -0.533 29.881 30.300 0.190 0.000 0.861 399 R HN 0.299 nan 8.270 nan 0.000 0.440 400 V N 1.283 121.280 119.914 0.138 0.000 2.358 400 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 400 V C 2.095 178.324 176.094 0.225 0.000 1.047 400 V CA 1.947 64.418 62.300 0.285 0.000 1.035 400 V CB -0.335 31.545 31.823 0.095 0.000 0.658 400 V HN 0.374 nan 8.190 nan 0.000 0.452 401 K N -0.164 120.212 120.400 -0.040 0.000 2.097 401 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 401 K C 2.345 178.887 176.600 -0.097 0.000 1.050 401 K CA 1.413 57.646 56.287 -0.090 0.000 0.938 401 K CB -0.234 32.112 32.500 -0.256 0.000 0.718 401 K HN 0.342 nan 8.250 nan 0.000 0.442 402 R N 0.138 120.427 120.500 -0.351 0.000 2.081 402 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 402 R C 1.722 177.940 176.300 -0.137 0.000 1.131 402 R CA 1.542 57.485 56.100 -0.262 0.000 0.960 402 R CB -0.222 29.838 30.300 -0.400 0.000 0.856 402 R HN 0.183 nan 8.270 nan 0.000 0.436 403 Y N 0.228 120.446 120.300 -0.137 0.000 2.286 403 Y HA -0.045 4.505 4.550 -0.000 0.000 0.293 403 Y C 2.120 177.813 175.900 -0.345 0.000 1.124 403 Y CA 1.108 59.055 58.100 -0.255 0.000 1.178 403 Y CB -0.067 38.135 38.460 -0.430 0.000 1.010 403 Y HN 0.094 nan 8.280 nan 0.000 0.536 404 I N -0.505 120.042 120.570 -0.039 0.000 2.394 404 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 404 I C 2.296 178.202 176.117 -0.352 0.000 1.136 404 I CA 1.114 62.307 61.300 -0.177 0.000 1.425 404 I CB -0.124 37.995 38.000 0.199 0.000 1.079 404 I HN 0.193 nan 8.210 nan 0.000 0.425 405 A N 0.627 123.374 122.820 -0.123 0.000 2.019 405 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 405 A C 2.177 179.680 177.584 -0.135 0.000 1.164 405 A CA 1.470 53.450 52.037 -0.095 0.000 0.644 405 A CB -0.441 18.544 19.000 -0.024 0.000 0.805 405 A HN 0.427 nan 8.150 nan 0.000 0.449 406 K N -1.324 118.992 120.400 -0.141 0.000 2.209 406 K HA -0.144 4.176 4.320 -0.000 0.000 0.204 406 K C 1.058 177.689 176.600 0.051 0.000 1.048 406 K CA 1.688 57.953 56.287 -0.038 0.000 0.940 406 K CB -0.253 32.236 32.500 -0.018 0.000 0.729 406 K HN 0.920 nan 8.250 nan 0.000 0.451 407 Y N -1.526 118.776 120.300 0.003 0.000 2.641 407 Y HA 0.291 4.840 4.550 -0.000 0.000 0.248 407 Y C 1.063 177.009 175.900 0.078 0.000 1.170 407 Y CA -0.253 57.867 58.100 0.034 0.000 1.201 407 Y CB -0.206 38.261 38.460 0.012 0.000 1.232 407 Y HN -0.058 nan 8.280 nan 0.000 0.537 408 T N -2.890 111.608 114.554 -0.094 0.000 3.364 408 T HA 0.128 4.478 4.350 -0.000 0.000 0.179 408 T C 1.262 175.980 174.700 0.030 0.000 0.939 408 T CA 0.610 62.708 62.100 -0.003 0.000 1.094 408 T CB -0.745 68.094 68.868 -0.048 0.000 1.532 408 T HN 0.091 nan 8.240 nan 0.000 0.346 409 I N 3.016 123.590 120.570 0.008 0.000 2.315 409 I HA 0.007 4.176 4.170 -0.000 0.000 0.248 409 I C 1.883 177.969 176.117 -0.053 0.000 1.117 409 I CA 1.306 62.597 61.300 -0.015 0.000 1.404 409 I CB -0.764 37.177 38.000 -0.099 0.000 1.071 409 I HN 0.256 nan 8.210 nan 0.000 0.419 410 N N 0.758 119.417 118.700 -0.070 0.000 2.120 410 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 410 N C -0.785 174.698 175.510 -0.045 0.000 1.024 410 N CA 1.645 54.652 53.050 -0.072 0.000 0.852 410 N CB -1.824 36.618 38.487 -0.075 0.000 1.003 410 N HN 0.315 nan 8.380 nan 0.000 0.424 411 P HA 0.011 nan 4.420 nan 0.000 0.217 411 P C 1.051 178.390 177.300 0.066 0.000 1.151 411 P CA 1.280 64.415 63.100 0.058 0.000 0.828 411 P CB -0.004 31.760 31.700 0.106 0.000 0.788 412 A N -0.623 122.218 122.820 0.035 0.000 1.902 412 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 412 A C 2.186 179.772 177.584 0.003 0.000 1.181 412 A CA 1.405 53.453 52.037 0.018 0.000 0.623 412 A CB -1.629 17.387 19.000 0.027 0.000 0.818 412 A HN 0.103 nan 8.150 nan 0.000 0.443 413 L N -0.853 120.358 121.223 -0.020 0.000 2.027 413 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 413 L C 2.823 179.649 176.870 -0.075 0.000 1.074 413 L CA 1.789 56.604 54.840 -0.041 0.000 0.745 413 L CB -0.886 41.134 42.059 -0.066 0.000 0.898 413 L HN 0.347 nan 8.230 nan 0.000 0.433 414 T N -1.988 112.498 114.554 -0.113 0.000 2.759 414 T HA -0.215 4.135 4.350 -0.000 0.000 0.269 414 T C 1.499 176.003 174.700 -0.326 0.000 1.042 414 T CA 1.243 63.202 62.100 -0.235 0.000 1.140 414 T CB -0.280 68.389 68.868 -0.332 0.000 0.864 414 T HN 0.362 nan 8.240 nan 0.000 0.455 415 H N -0.242 118.788 119.070 -0.067 0.000 2.529 415 H HA 0.338 4.894 4.556 -0.000 0.000 0.277 415 H C 1.680 176.965 175.328 -0.072 0.000 1.004 415 H CA 0.405 56.419 56.048 -0.056 0.000 1.167 415 H CB 0.079 29.813 29.762 -0.047 0.000 1.445 415 H HN 0.516 nan 8.280 nan 0.000 0.554 416 G N 2.256 111.055 108.800 -0.003 0.000 2.198 416 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.257 416 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.257 416 G C 0.835 175.788 174.900 0.089 0.000 1.042 416 G CA 0.667 45.787 45.100 0.034 0.000 0.791 416 G HN 0.624 nan 8.290 nan 0.000 0.502 417 I N -4.134 116.431 120.570 -0.008 0.000 4.225 417 I HA 0.676 4.846 4.170 -0.000 0.000 0.327 417 I C 1.799 177.855 176.117 -0.101 0.000 1.422 417 I CA 0.389 61.590 61.300 -0.165 0.000 1.150 417 I CB 0.306 37.947 38.000 -0.598 0.000 1.192 417 I HN 0.120 nan 8.210 nan 0.000 0.440 418 A N 1.857 124.705 122.820 0.045 0.000 2.125 418 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 418 A C 2.033 179.675 177.584 0.096 0.000 1.156 418 A CA 1.852 53.925 52.037 0.060 0.000 0.671 418 A CB -1.278 17.759 19.000 0.062 0.000 0.794 418 A HN 0.852 nan 8.150 nan 0.000 0.459 419 H N -2.696 116.408 119.070 0.056 0.000 2.529 419 H HA 0.172 4.727 4.556 -0.000 0.000 0.277 419 H C 1.509 176.895 175.328 0.097 0.000 0.999 419 H CA 1.023 57.111 56.048 0.067 0.000 1.256 419 H CB 0.163 29.959 29.762 0.057 0.000 1.402 419 H HN 0.386 nan 8.280 nan 0.000 0.566 420 E N 1.011 121.041 120.200 -0.284 0.000 2.256 420 E HA 0.131 4.481 4.350 -0.000 0.000 0.198 420 E C 0.847 177.468 176.600 0.035 0.000 0.908 420 E CA 0.936 57.269 56.400 -0.112 0.000 0.915 420 E CB 1.025 30.674 29.700 -0.086 0.000 0.890 420 E HN 0.398 nan 8.360 nan 0.000 0.484 421 V N -4.850 115.098 119.914 0.057 0.000 3.105 421 V HA 0.856 4.976 4.120 -0.000 0.000 0.311 421 V C 0.750 176.908 176.094 0.106 0.000 1.287 421 V CA -0.178 62.188 62.300 0.111 0.000 1.066 421 V CB 1.314 33.237 31.823 0.166 0.000 1.105 421 V HN 0.297 nan 8.190 nan 0.000 0.462 422 G N -0.017 108.862 108.800 0.132 0.000 2.253 422 G HA2 0.118 4.078 3.960 -0.000 0.000 0.209 422 G HA3 0.118 4.078 3.960 -0.000 0.000 0.209 422 G C 0.238 175.245 174.900 0.179 0.000 0.997 422 G CA 0.609 45.789 45.100 0.133 0.000 0.640 422 G HN 2.442 nan 8.290 nan 0.000 0.496 423 S N -1.105 114.719 115.700 0.208 0.000 2.611 423 S HA 0.663 5.133 4.470 -0.000 0.000 0.268 423 S C -0.773 173.983 174.600 0.260 0.000 1.156 423 S CA -0.746 57.619 58.200 0.276 0.000 0.817 423 S CB 1.246 64.688 63.200 0.403 0.000 1.122 423 S HN 0.754 nan 8.310 nan 0.000 0.466 424 I N 1.575 122.341 120.570 0.327 0.000 2.241 424 I HA 0.394 4.564 4.170 -0.000 0.000 0.294 424 I C -0.114 176.181 176.117 0.296 0.000 1.145 424 I CA 0.175 61.663 61.300 0.313 0.000 1.261 424 I CB -0.174 38.035 38.000 0.349 0.000 1.475 424 I HN 0.579 nan 8.210 nan 0.000 0.533 425 E N 3.995 124.287 120.200 0.154 0.000 2.340 425 E HA 0.339 4.689 4.350 -0.000 0.000 0.273 425 E C -0.722 175.888 176.600 0.017 0.000 0.891 425 E CA -1.026 55.388 56.400 0.022 0.000 0.757 425 E CB 3.201 32.910 29.700 0.015 0.000 1.231 425 E HN 0.296 nan 8.360 nan 0.000 0.439 426 V N 0.052 119.939 119.914 -0.045 0.000 2.694 426 V HA 0.392 4.512 4.120 -0.000 0.000 0.306 426 V C 1.033 177.124 176.094 -0.006 0.000 1.054 426 V CA 1.085 63.360 62.300 -0.042 0.000 1.161 426 V CB 0.118 31.868 31.823 -0.121 0.000 0.916 426 V HN 1.030 nan 8.190 nan 0.000 0.490 427 G N 2.941 111.755 108.800 0.024 0.000 2.241 427 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 427 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 427 G C 0.316 175.254 174.900 0.063 0.000 0.998 427 G CA 0.369 45.495 45.100 0.044 0.000 0.621 427 G HN 0.889 nan 8.290 nan 0.000 0.519 428 K N 0.088 120.531 120.400 0.070 0.000 2.118 428 K HA 0.562 4.882 4.320 -0.000 0.000 0.264 428 K C 0.298 176.948 176.600 0.084 0.000 1.000 428 K CA -0.940 55.395 56.287 0.080 0.000 0.929 428 K CB 1.548 34.106 32.500 0.096 0.000 1.021 428 K HN 0.142 nan 8.250 nan 0.000 0.463 429 L N 1.902 123.172 121.223 0.078 0.000 2.525 429 L HA -0.049 4.291 4.340 -0.000 0.000 0.278 429 L C 0.005 176.929 176.870 0.091 0.000 1.218 429 L CA 0.763 55.648 54.840 0.075 0.000 0.878 429 L CB 0.348 42.446 42.059 0.064 0.000 1.127 429 L HN 0.751 nan 8.230 nan 0.000 0.492 430 A N 4.033 126.906 122.820 0.089 0.000 3.048 430 A HA 0.176 4.496 4.320 -0.000 0.000 0.264 430 A C -0.364 177.275 177.584 0.090 0.000 1.796 430 A CA -0.377 51.717 52.037 0.095 0.000 1.445 430 A CB -1.160 17.894 19.000 0.091 0.000 1.074 430 A HN 0.691 nan 8.150 nan 0.000 0.621 431 D N 1.433 121.893 120.400 0.101 0.000 2.443 431 D HA 0.550 5.190 4.640 -0.000 0.000 0.221 431 D C -0.326 176.040 176.300 0.111 0.000 1.097 431 D CA 0.426 54.486 54.000 0.100 0.000 0.865 431 D CB 0.948 41.816 40.800 0.113 0.000 1.034 431 D HN 0.397 nan 8.370 nan 0.000 0.511 432 L N 1.133 122.409 121.223 0.088 0.000 2.371 432 L HA 0.658 4.998 4.340 -0.000 0.000 0.262 432 L C -0.616 176.275 176.870 0.035 0.000 1.006 432 L CA -1.197 53.699 54.840 0.093 0.000 0.818 432 L CB 2.450 44.566 42.059 0.095 0.000 1.354 432 L HN -0.084 nan 8.230 nan 0.000 0.415 433 V N 2.019 121.948 119.914 0.025 0.000 2.531 433 V HA 0.435 4.555 4.120 -0.000 0.000 0.301 433 V C -0.347 175.606 176.094 -0.235 0.000 1.034 433 V CA -0.685 61.499 62.300 -0.192 0.000 0.865 433 V CB 2.188 33.838 31.823 -0.289 0.000 0.995 433 V HN 0.406 nan 8.190 nan 0.000 0.424 434 V N 3.957 123.691 119.914 -0.300 0.000 2.427 434 V HA 0.540 4.660 4.120 -0.000 0.000 0.286 434 V C -0.839 175.128 176.094 -0.212 0.000 1.034 434 V CA -0.461 61.768 62.300 -0.118 0.000 0.893 434 V CB 1.377 33.181 31.823 -0.031 0.000 0.982 434 V HN 0.915 nan 8.190 nan 0.000 0.452 435 W N 1.772 123.152 121.300 0.133 0.000 2.844 435 W HA 0.648 5.308 4.660 -0.000 0.000 0.340 435 W C 0.167 176.782 176.519 0.159 0.000 1.093 435 W CA -0.673 56.763 57.345 0.152 0.000 1.212 435 W CB 1.762 31.359 29.460 0.229 0.000 1.422 435 W HN 0.451 nan 8.180 nan 0.000 0.515 436 S N 1.932 117.892 115.700 0.433 0.000 2.525 436 S HA 0.334 4.804 4.470 -0.000 0.000 0.278 436 S C -1.573 173.231 174.600 0.341 0.000 1.234 436 S CA -1.353 57.044 58.200 0.329 0.000 1.058 436 S CB 1.137 64.542 63.200 0.342 0.000 0.983 436 S HN 0.208 nan 8.310 nan 0.000 0.495 437 P HA -0.101 nan 4.420 nan 0.000 0.216 437 P C 1.151 178.471 177.300 0.033 0.000 1.150 437 P CA 1.595 64.736 63.100 0.069 0.000 0.843 437 P CB 0.034 31.726 31.700 -0.013 0.000 0.787 438 A N -2.288 120.563 122.820 0.052 0.000 2.121 438 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 438 A C 1.311 178.723 177.584 -0.287 0.000 1.154 438 A CA 1.199 53.156 52.037 -0.135 0.000 0.679 438 A CB -1.306 17.576 19.000 -0.197 0.000 0.795 438 A HN 0.192 nan 8.150 nan 0.000 0.458 439 F N -2.519 117.510 119.950 0.131 0.000 2.683 439 F HA 0.324 4.851 4.527 -0.000 0.000 0.306 439 F C 0.298 176.093 175.800 -0.007 0.000 1.102 439 F CA -1.145 56.894 58.000 0.065 0.000 1.244 439 F CB 0.090 39.180 39.000 0.150 0.000 1.029 439 F HN 0.147 nan 8.300 nan 0.000 0.545 440 F N 1.611 121.512 119.950 -0.082 0.000 2.623 440 F HA 0.315 4.842 4.527 -0.000 0.000 0.386 440 F C 1.386 176.788 175.800 -0.664 0.000 1.068 440 F CA 1.104 58.835 58.000 -0.448 0.000 1.265 440 F CB 0.427 39.092 39.000 -0.559 0.000 1.026 440 F HN 0.326 nan 8.300 nan 0.000 0.568 441 G N 3.333 110.909 108.800 -2.040 0.000 2.220 441 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.269 441 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.269 441 G C 0.548 175.209 174.900 -0.399 0.000 0.977 441 G CA 0.524 44.849 45.100 -1.291 0.000 0.634 441 G HN 0.780 nan 8.290 nan 0.000 0.539 442 V N -0.834 118.967 119.914 -0.188 0.000 2.840 442 V HA 0.381 4.501 4.120 -0.000 0.000 0.234 442 V C 0.991 177.193 176.094 0.181 0.000 1.159 442 V CA 1.758 64.038 62.300 -0.033 0.000 1.194 442 V CB 0.345 31.915 31.823 -0.421 0.000 0.971 442 V HN 0.269 nan 8.190 nan 0.000 0.494 443 K N 1.161 121.738 120.400 0.295 0.000 2.668 443 K HA 0.448 4.768 4.320 -0.000 0.000 0.246 443 K C -2.929 173.862 176.600 0.318 0.000 0.976 443 K CA -1.606 54.846 56.287 0.276 0.000 0.902 443 K CB 2.579 35.201 32.500 0.203 0.000 1.172 443 K HN 0.156 nan 8.250 nan 0.000 0.452 444 P HA 0.059 nan 4.420 nan 0.000 0.272 444 P C -0.053 177.221 177.300 -0.042 0.000 1.230 444 P CA -0.134 62.812 63.100 -0.256 0.000 0.788 444 P CB 1.042 32.345 31.700 -0.660 0.000 0.949 445 A N 1.257 124.010 122.820 -0.112 0.000 1.984 445 A HA 0.176 4.496 4.320 -0.000 0.000 0.214 445 A C 0.427 177.952 177.584 -0.097 0.000 1.173 445 A CA 1.382 53.368 52.037 -0.085 0.000 0.673 445 A CB -0.347 18.633 19.000 -0.033 0.000 0.830 445 A HN 0.558 nan 8.150 nan 0.000 0.453 446 T N -0.739 113.737 114.554 -0.130 0.000 3.097 446 T HA 0.484 4.834 4.350 -0.000 0.000 0.332 446 T C -1.354 173.265 174.700 -0.135 0.000 1.269 446 T CA -0.416 61.627 62.100 -0.095 0.000 1.076 446 T CB 1.886 70.716 68.868 -0.062 0.000 1.209 446 T HN 0.024 nan 8.240 nan 0.000 0.474 447 V N 3.938 123.804 119.914 -0.080 0.000 2.378 447 V HA 0.533 4.652 4.120 -0.000 0.000 0.288 447 V C -0.337 175.742 176.094 -0.024 0.000 1.016 447 V CA -0.738 61.514 62.300 -0.080 0.000 0.840 447 V CB 1.225 33.008 31.823 -0.067 0.000 0.994 447 V HN 0.784 nan 8.190 nan 0.000 0.431 448 I N 5.007 125.572 120.570 -0.009 0.000 2.336 448 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 448 I C 0.132 176.273 176.117 0.039 0.000 0.991 448 I CA -0.460 60.853 61.300 0.021 0.000 1.227 448 I CB 1.356 39.373 38.000 0.028 0.000 1.366 448 I HN 0.396 nan 8.210 nan 0.000 0.466 449 K N 4.410 124.837 120.400 0.045 0.000 2.394 449 K HA 0.348 4.668 4.320 -0.000 0.000 0.260 449 K C 0.435 177.072 176.600 0.060 0.000 0.967 449 K CA -0.336 55.984 56.287 0.054 0.000 0.855 449 K CB 1.823 34.354 32.500 0.050 0.000 1.101 449 K HN 0.913 nan 8.250 nan 0.000 0.433 450 G N 2.014 110.853 108.800 0.064 0.000 2.283 450 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 450 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 450 G C 0.730 175.677 174.900 0.079 0.000 1.029 450 G CA 0.986 46.127 45.100 0.069 0.000 0.840 450 G HN 1.078 nan 8.290 nan 0.000 0.505 451 G N -2.127 106.714 108.800 0.069 0.000 2.175 451 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 451 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 451 G C 0.254 175.181 174.900 0.045 0.000 0.982 451 G CA 0.824 45.959 45.100 0.059 0.000 0.641 451 G HN 1.064 nan 8.290 nan 0.000 0.527 452 M N 0.408 120.039 119.600 0.051 0.000 2.465 452 M HA 0.540 5.020 4.480 -0.000 0.000 0.316 452 M C 0.186 176.516 176.300 0.049 0.000 1.121 452 M CA -0.882 54.447 55.300 0.048 0.000 0.934 452 M CB 2.191 34.827 32.600 0.059 0.000 1.692 452 M HN 0.057 nan 8.290 nan 0.000 0.444 453 I N 1.841 122.442 120.570 0.051 0.000 2.598 453 I HA 0.033 4.203 4.170 -0.000 0.000 0.284 453 I C 0.936 177.079 176.117 0.043 0.000 1.140 453 I CA 0.181 61.505 61.300 0.039 0.000 1.420 453 I CB 1.037 39.059 38.000 0.037 0.000 1.387 453 I HN 0.885 nan 8.210 nan 0.000 0.553 454 A N 7.124 129.960 122.820 0.026 0.000 2.035 454 A HA 0.420 4.740 4.320 -0.000 0.000 0.208 454 A C 0.615 178.202 177.584 0.005 0.000 1.206 454 A CA 0.537 52.586 52.037 0.019 0.000 0.773 454 A CB 0.407 19.422 19.000 0.025 0.000 0.878 454 A HN 0.647 nan 8.150 nan 0.000 0.469 455 I N -2.092 118.486 120.570 0.014 0.000 2.842 455 I HA 0.606 4.776 4.170 -0.000 0.000 0.297 455 I C -1.399 174.753 176.117 0.059 0.000 1.380 455 I CA -0.409 60.914 61.300 0.038 0.000 1.018 455 I CB 2.177 40.217 38.000 0.067 0.000 1.311 455 I HN 0.268 nan 8.210 nan 0.000 0.439 456 A N 5.632 128.485 122.820 0.055 0.000 2.586 456 A HA 0.816 5.136 4.320 -0.000 0.000 0.291 456 A C -3.120 174.305 177.584 -0.265 0.000 1.062 456 A CA -1.158 50.858 52.037 -0.036 0.000 0.666 456 A CB 1.551 20.505 19.000 -0.078 0.000 1.281 456 A HN 0.308 nan 8.150 nan 0.000 0.421 457 P HA 0.526 nan 4.420 nan 0.000 0.276 457 P C -0.769 176.296 177.300 -0.392 0.000 1.230 457 P CA 0.053 62.711 63.100 -0.737 0.000 0.776 457 P CB 0.616 31.886 31.700 -0.717 0.000 0.888 458 M N 2.884 122.263 119.600 -0.367 0.000 2.324 458 M HA 0.603 5.083 4.480 -0.000 0.000 0.288 458 M C -0.223 175.912 176.300 -0.276 0.000 1.097 458 M CA -0.413 54.722 55.300 -0.274 0.000 0.928 458 M CB 1.537 33.990 32.600 -0.245 0.000 1.648 458 M HN 0.414 nan 8.290 nan 0.000 0.460 459 G N 1.264 109.954 108.800 -0.183 0.000 2.510 459 G HA2 0.257 4.217 3.960 -0.000 0.000 0.280 459 G HA3 0.257 4.217 3.960 -0.000 0.000 0.280 459 G C -0.879 173.954 174.900 -0.111 0.000 1.386 459 G CA -0.574 44.446 45.100 -0.135 0.000 1.047 459 G HN 0.745 nan 8.290 nan 0.000 0.527 460 D N -0.097 120.266 120.400 -0.062 0.000 2.662 460 D HA -0.105 4.535 4.640 -0.000 0.000 0.237 460 D C 1.745 178.019 176.300 -0.044 0.000 1.154 460 D CA -0.231 53.746 54.000 -0.038 0.000 0.861 460 D CB 0.261 41.049 40.800 -0.020 0.000 1.146 460 D HN 0.047 nan 8.370 nan 0.000 0.518 461 I N 3.684 124.229 120.570 -0.042 0.000 2.361 461 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 461 I C 1.848 177.952 176.117 -0.022 0.000 1.133 461 I CA 0.990 62.267 61.300 -0.039 0.000 1.413 461 I CB -1.100 36.878 38.000 -0.036 0.000 1.073 461 I HN 0.451 nan 8.210 nan 0.000 0.424 462 N N 0.932 119.623 118.700 -0.015 0.000 2.336 462 N HA 0.125 4.865 4.740 -0.000 0.000 0.189 462 N C 0.668 176.173 175.510 -0.009 0.000 1.113 462 N CA 0.152 53.197 53.050 -0.008 0.000 0.858 462 N CB 0.254 38.739 38.487 -0.004 0.000 0.970 462 N HN 0.265 nan 8.380 nan 0.000 0.471 463 A N -0.474 122.338 122.820 -0.014 0.000 2.366 463 A HA 0.256 4.576 4.320 -0.000 0.000 0.250 463 A C 1.409 178.987 177.584 -0.011 0.000 1.099 463 A CA 0.244 52.273 52.037 -0.013 0.000 0.794 463 A CB 0.011 18.999 19.000 -0.019 0.000 1.056 463 A HN 0.463 nan 8.150 nan 0.000 0.499 464 S N -0.508 115.186 115.700 -0.010 0.000 2.489 464 S HA 0.169 4.639 4.470 -0.000 0.000 0.228 464 S C 0.553 175.149 174.600 -0.008 0.000 0.995 464 S CA 0.932 59.128 58.200 -0.007 0.000 0.934 464 S CB -0.916 62.280 63.200 -0.007 0.000 0.771 464 S HN 0.777 nan 8.310 nan 0.000 0.522 465 I N -2.880 117.683 120.570 -0.013 0.000 3.191 465 I HA 0.459 4.629 4.170 -0.000 0.000 0.313 465 I C -2.498 173.604 176.117 -0.024 0.000 1.193 465 I CA -2.762 58.529 61.300 -0.014 0.000 0.968 465 I CB 1.732 39.723 38.000 -0.014 0.000 1.262 465 I HN -0.353 nan 8.210 nan 0.000 0.456 466 P HA -0.022 nan 4.420 nan 0.000 0.245 466 P C 1.067 178.329 177.300 -0.063 0.000 1.206 466 P CA 0.932 64.004 63.100 -0.047 0.000 0.781 466 P CB 0.104 31.777 31.700 -0.044 0.000 0.994 467 T N -4.126 110.397 114.554 -0.051 0.000 3.054 467 T HA 0.172 4.522 4.350 -0.000 0.000 0.259 467 T C -1.495 173.174 174.700 -0.051 0.000 1.092 467 T CA -0.318 61.748 62.100 -0.057 0.000 1.121 467 T CB -2.019 66.823 68.868 -0.043 0.000 0.912 467 T HN 0.125 nan 8.240 nan 0.000 0.489 468 P HA 0.179 nan 4.420 nan 0.000 0.267 468 P C 0.107 177.388 177.300 -0.031 0.000 1.200 468 P CA -0.139 62.943 63.100 -0.030 0.000 0.772 468 P CB 0.359 32.045 31.700 -0.022 0.000 0.855 469 Q N 2.921 122.710 119.800 -0.019 0.000 2.454 469 Q HA 0.191 4.531 4.340 -0.000 0.000 0.247 469 Q C -1.884 174.122 176.000 0.009 0.000 1.028 469 Q CA -1.170 54.630 55.803 -0.006 0.000 0.910 469 Q CB -0.566 28.172 28.738 0.000 0.000 1.276 469 Q HN 0.403 nan 8.270 nan 0.000 0.489 470 P HA 0.212 nan 4.420 nan 0.000 0.285 470 P C -0.851 176.490 177.300 0.069 0.000 1.259 470 P CA -0.344 62.802 63.100 0.076 0.000 0.794 470 P CB 0.921 32.701 31.700 0.134 0.000 0.940 471 V N 5.089 125.020 119.914 0.028 0.000 2.347 471 V HA 0.380 4.500 4.120 -0.000 0.000 0.280 471 V C 0.127 176.214 176.094 -0.012 0.000 1.021 471 V CA -0.162 62.093 62.300 -0.075 0.000 0.847 471 V CB 0.277 32.024 31.823 -0.127 0.000 0.990 471 V HN 0.880 nan 8.190 nan 0.000 0.444 472 H N 2.018 121.008 119.070 -0.134 0.000 3.008 472 H HA 0.632 5.188 4.556 -0.000 0.000 0.354 472 H C -1.540 173.697 175.328 -0.153 0.000 1.252 472 H CA -1.130 54.861 56.048 -0.096 0.000 1.117 472 H CB 0.772 30.547 29.762 0.022 0.000 1.857 472 H HN 0.366 nan 8.280 nan 0.000 0.547 473 Y N 1.259 121.603 120.300 0.073 0.000 2.544 473 Y HA 0.252 4.802 4.550 -0.000 0.000 0.330 473 Y C 0.582 176.481 175.900 -0.003 0.000 1.136 473 Y CA 0.328 58.428 58.100 -0.000 0.000 1.417 473 Y CB 0.471 38.944 38.460 0.021 0.000 1.229 473 Y HN 0.369 nan 8.280 nan 0.000 0.532 474 R N 4.296 124.806 120.500 0.017 0.000 2.686 474 R HA 0.427 4.767 4.340 -0.000 0.000 0.283 474 R C -2.983 173.299 176.300 -0.031 0.000 0.978 474 R CA -2.375 53.711 56.100 -0.023 0.000 0.897 474 R CB 1.512 31.730 30.300 -0.135 0.000 1.192 474 R HN 0.318 nan 8.270 nan 0.000 0.457 475 P HA 0.038 nan 4.420 nan 0.000 0.268 475 P C -0.428 176.785 177.300 -0.146 0.000 1.204 475 P CA 0.232 63.295 63.100 -0.062 0.000 0.768 475 P CB 0.614 32.280 31.700 -0.057 0.000 0.842 476 M N 1.857 121.372 119.600 -0.142 0.000 2.799 476 M HA 0.337 4.817 4.480 -0.000 0.000 0.274 476 M C 1.395 177.542 176.300 -0.255 0.000 1.137 476 M CA -0.711 54.441 55.300 -0.246 0.000 0.897 476 M CB -0.466 32.072 32.600 -0.104 0.000 1.567 476 M HN 0.240 nan 8.290 nan 0.000 0.536 477 F N 0.620 120.554 119.950 -0.027 0.000 2.202 477 F HA -0.091 4.436 4.527 -0.000 0.000 0.301 477 F C 2.238 178.020 175.800 -0.031 0.000 1.082 477 F CA 1.485 59.465 58.000 -0.032 0.000 1.313 477 F CB -0.881 38.098 39.000 -0.035 0.000 1.024 477 F HN 0.751 nan 8.300 nan 0.000 0.495 478 G N -0.686 108.188 108.800 0.124 0.000 2.559 478 G HA2 0.018 3.978 3.960 -0.000 0.000 0.216 478 G HA3 0.018 3.978 3.960 -0.000 0.000 0.216 478 G C 1.484 176.402 174.900 0.030 0.000 1.126 478 G CA 0.594 45.737 45.100 0.073 0.000 0.778 478 G HN 0.427 nan 8.290 nan 0.000 0.543 479 A N -0.252 122.569 122.820 0.002 0.000 2.387 479 A HA 0.603 4.923 4.320 -0.000 0.000 0.234 479 A C 0.552 178.110 177.584 -0.044 0.000 1.253 479 A CA -0.320 51.705 52.037 -0.020 0.000 0.894 479 A CB 0.122 19.108 19.000 -0.024 0.000 0.963 479 A HN 0.245 nan 8.150 nan 0.000 0.508 480 L N -0.242 120.959 121.223 -0.037 0.000 2.295 480 L HA 0.486 4.826 4.340 -0.000 0.000 0.285 480 L C 1.623 178.434 176.870 -0.098 0.000 1.035 480 L CA -0.202 54.609 54.840 -0.049 0.000 0.806 480 L CB 1.169 43.228 42.059 0.000 0.000 1.214 480 L HN 0.519 nan 8.230 nan 0.000 0.426 481 G N 2.333 111.049 108.800 -0.141 0.000 2.699 481 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.408 481 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.408 481 G C 1.136 175.766 174.900 -0.450 0.000 1.112 481 G CA 1.026 45.984 45.100 -0.238 0.000 0.885 481 G HN 0.623 nan 8.290 nan 0.000 0.690 482 S N 0.680 116.240 115.700 -0.233 0.000 2.423 482 S HA 0.108 4.578 4.470 -0.000 0.000 0.231 482 S C 2.704 177.276 174.600 -0.048 0.000 1.014 482 S CA 1.709 59.839 58.200 -0.117 0.000 0.965 482 S CB -0.453 62.763 63.200 0.026 0.000 0.785 482 S HN 1.153 nan 8.310 nan 0.000 0.495 483 A N 1.774 124.564 122.820 -0.051 0.000 1.930 483 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 483 A C 2.067 179.668 177.584 0.029 0.000 1.175 483 A CA 1.169 53.209 52.037 0.006 0.000 0.627 483 A CB -0.475 18.537 19.000 0.020 0.000 0.815 483 A HN 0.419 nan 8.150 nan 0.000 0.443 484 R N -0.633 119.833 120.500 -0.058 0.000 2.073 484 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 484 R C 1.948 178.272 176.300 0.038 0.000 1.134 484 R CA 2.042 58.117 56.100 -0.041 0.000 0.952 484 R CB -0.611 29.618 30.300 -0.119 0.000 0.850 484 R HN 0.782 nan 8.270 nan 0.000 0.433 485 H N -2.056 117.038 119.070 0.040 0.000 2.390 485 H HA -0.189 4.367 4.556 -0.000 0.000 0.298 485 H C 1.972 177.314 175.328 0.023 0.000 1.106 485 H CA 1.666 57.725 56.048 0.018 0.000 1.297 485 H CB -0.129 29.645 29.762 0.019 0.000 1.375 485 H HN 0.459 nan 8.280 nan 0.000 0.509 486 H N -0.854 118.277 119.070 0.102 0.000 2.529 486 H HA 0.022 4.578 4.556 -0.000 0.000 0.277 486 H C 1.198 176.542 175.328 0.027 0.000 0.999 486 H CA 0.931 57.009 56.048 0.050 0.000 1.256 486 H CB 0.262 30.045 29.762 0.034 0.000 1.402 486 H HN 0.303 nan 8.280 nan 0.000 0.566 487 C N 1.284 120.663 119.300 0.132 0.000 3.038 487 C HA 0.279 4.739 4.460 -0.000 0.000 0.279 487 C C 0.670 175.678 174.990 0.030 0.000 1.276 487 C CA -0.382 58.687 59.018 0.085 0.000 1.697 487 C CB -1.100 26.698 27.740 0.098 0.000 2.032 487 C HN 0.520 nan 8.230 nan 0.000 0.636 488 R N 0.135 120.638 120.500 0.005 0.000 2.919 488 R HA 0.849 5.189 4.340 -0.000 0.000 0.260 488 R C -1.517 174.718 176.300 -0.109 0.000 1.067 488 R CA -0.663 55.420 56.100 -0.028 0.000 1.003 488 R CB 0.952 31.254 30.300 0.004 0.000 1.192 488 R HN 0.088 nan 8.270 nan 0.000 0.488 489 L N 0.581 121.684 121.223 -0.199 0.000 2.381 489 L HA 0.465 4.805 4.340 -0.000 0.000 0.268 489 L C -0.700 175.901 176.870 -0.449 0.000 0.997 489 L CA -0.905 53.705 54.840 -0.383 0.000 0.818 489 L CB 2.783 44.451 42.059 -0.651 0.000 1.310 489 L HN 0.738 nan 8.230 nan 0.000 0.416 490 T N 2.340 116.673 114.554 -0.368 0.000 2.772 490 T HA 0.512 4.862 4.350 -0.000 0.000 0.288 490 T C -0.487 174.066 174.700 -0.246 0.000 0.994 490 T CA -0.245 61.712 62.100 -0.238 0.000 0.951 490 T CB 0.267 69.060 68.868 -0.126 0.000 0.933 490 T HN 0.100 nan 8.240 nan 0.000 0.447 491 F N 3.406 123.373 119.950 0.029 0.000 2.396 491 F HA 0.535 5.062 4.527 -0.000 0.000 0.343 491 F C 0.452 176.277 175.800 0.042 0.000 1.104 491 F CA -0.767 57.259 58.000 0.044 0.000 1.161 491 F CB 0.670 39.707 39.000 0.062 0.000 1.146 491 F HN 0.181 nan 8.300 nan 0.000 0.522 492 L N 1.745 123.108 121.223 0.233 0.000 2.309 492 L HA 0.505 4.844 4.340 -0.000 0.000 0.261 492 L C -0.165 176.784 176.870 0.133 0.000 1.021 492 L CA -1.084 53.839 54.840 0.139 0.000 0.823 492 L CB 2.404 44.510 42.059 0.078 0.000 1.366 492 L HN 0.641 nan 8.230 nan 0.000 0.423 493 S N -0.485 115.270 115.700 0.091 0.000 2.603 493 S HA 0.167 4.637 4.470 -0.000 0.000 0.268 493 S C 0.534 175.169 174.600 0.058 0.000 1.317 493 S CA -0.563 57.680 58.200 0.072 0.000 1.012 493 S CB 1.353 64.584 63.200 0.052 0.000 0.926 493 S HN 0.687 nan 8.310 nan 0.000 0.539 494 Q N 1.000 120.828 119.800 0.046 0.000 2.135 494 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 494 Q C 2.463 178.477 176.000 0.024 0.000 0.981 494 Q CA 1.644 57.467 55.803 0.033 0.000 0.856 494 Q CB -0.614 28.136 28.738 0.020 0.000 0.902 494 Q HN 0.928 nan 8.270 nan 0.000 0.425 495 A N 0.999 123.831 122.820 0.021 0.000 1.902 495 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 495 A C 2.292 179.885 177.584 0.015 0.000 1.181 495 A CA 1.542 53.587 52.037 0.015 0.000 0.623 495 A CB -0.787 18.221 19.000 0.012 0.000 0.818 495 A HN 0.400 nan 8.150 nan 0.000 0.443 496 A N -0.113 122.720 122.820 0.021 0.000 1.898 496 A HA 0.186 4.506 4.320 -0.000 0.000 0.216 496 A C 2.513 180.106 177.584 0.014 0.000 1.181 496 A CA 2.026 54.073 52.037 0.017 0.000 0.620 496 A CB -1.044 17.970 19.000 0.022 0.000 0.819 496 A HN 1.038 nan 8.150 nan 0.000 0.442 497 A N -0.014 122.819 122.820 0.022 0.000 1.883 497 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 497 A C 2.514 180.104 177.584 0.010 0.000 1.186 497 A CA 2.325 54.373 52.037 0.018 0.000 0.624 497 A CB -1.075 17.943 19.000 0.031 0.000 0.822 497 A HN 1.102 nan 8.150 nan 0.000 0.444 498 A N -0.109 122.718 122.820 0.011 0.000 1.930 498 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 498 A C 1.734 179.320 177.584 0.003 0.000 1.175 498 A CA 1.604 53.645 52.037 0.006 0.000 0.627 498 A CB -0.562 18.442 19.000 0.006 0.000 0.815 498 A HN 0.523 nan 8.150 nan 0.000 0.443 499 N N -0.380 118.322 118.700 0.003 0.000 2.550 499 N HA 0.052 4.792 4.740 -0.000 0.000 0.186 499 N C 1.128 176.635 175.510 -0.004 0.000 1.110 499 N CA 1.099 54.149 53.050 0.000 0.000 0.912 499 N CB -0.134 38.354 38.487 0.001 0.000 0.968 499 N HN 0.679 nan 8.380 nan 0.000 0.448 500 G N -0.123 108.674 108.800 -0.004 0.000 2.160 500 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 500 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 500 G C 0.987 175.878 174.900 -0.015 0.000 1.022 500 G CA 0.395 45.489 45.100 -0.010 0.000 0.741 500 G HN 0.216 nan 8.290 nan 0.000 0.508 501 V N 0.100 120.006 119.914 -0.014 0.000 2.392 501 V HA -0.139 3.981 4.120 -0.000 0.000 0.249 501 V C 3.195 179.269 176.094 -0.034 0.000 1.059 501 V CA 3.108 65.395 62.300 -0.022 0.000 1.051 501 V CB -0.843 30.971 31.823 -0.016 0.000 0.658 501 V HN 1.003 nan 8.190 nan 0.000 0.455 502 A N -0.289 122.512 122.820 -0.033 0.000 1.933 502 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 502 A C 2.104 179.659 177.584 -0.049 0.000 1.175 502 A CA 1.937 53.946 52.037 -0.046 0.000 0.628 502 A CB -0.387 18.587 19.000 -0.043 0.000 0.814 502 A HN 0.561 nan 8.150 nan 0.000 0.444 503 E N -0.610 119.568 120.200 -0.037 0.000 2.072 503 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 503 E C 2.142 178.720 176.600 -0.036 0.000 0.982 503 E CA 1.107 57.487 56.400 -0.034 0.000 0.803 503 E CB -0.286 29.400 29.700 -0.024 0.000 0.755 503 E HN 0.614 nan 8.360 nan 0.000 0.453 504 R N 0.363 120.843 120.500 -0.034 0.000 2.073 504 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 504 R C 1.838 178.110 176.300 -0.047 0.000 1.134 504 R CA 1.188 57.267 56.100 -0.035 0.000 0.952 504 R CB -0.200 30.082 30.300 -0.030 0.000 0.850 504 R HN 0.194 nan 8.270 nan 0.000 0.433 505 L N 0.352 121.539 121.223 -0.059 0.000 2.492 505 L HA 0.035 4.375 4.340 -0.000 0.000 0.223 505 L C 0.603 177.425 176.870 -0.081 0.000 1.132 505 L CA 0.192 54.985 54.840 -0.078 0.000 0.850 505 L CB -0.308 41.697 42.059 -0.092 0.000 0.966 505 L HN 0.447 nan 8.230 nan 0.000 0.454 506 N N 1.214 119.871 118.700 -0.071 0.000 2.756 506 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 506 N C -0.495 174.953 175.510 -0.103 0.000 1.062 506 N CA -0.141 52.864 53.050 -0.074 0.000 0.696 506 N CB -0.442 38.007 38.487 -0.064 0.000 0.946 506 N HN 0.033 nan 8.380 nan 0.000 0.548 507 L N 1.523 122.681 121.223 -0.109 0.000 2.455 507 L HA 0.072 4.412 4.340 -0.000 0.000 0.272 507 L C 1.828 178.591 176.870 -0.178 0.000 1.174 507 L CA 0.744 55.498 54.840 -0.145 0.000 0.869 507 L CB 0.876 42.863 42.059 -0.120 0.000 1.130 507 L HN 0.170 nan 8.230 nan 0.000 0.474 508 R N 0.474 120.797 120.500 -0.295 0.000 2.173 508 R HA 0.152 4.492 4.340 -0.000 0.000 0.208 508 R C 0.639 176.764 176.300 -0.292 0.000 1.035 508 R CA 0.213 56.092 56.100 -0.369 0.000 1.004 508 R CB -0.013 29.844 30.300 -0.739 0.000 0.917 508 R HN 0.630 nan 8.270 nan 0.000 0.462 509 S N 0.296 115.836 115.700 -0.267 0.000 2.624 509 S HA 0.500 4.970 4.470 -0.000 0.000 0.263 509 S C 0.142 174.673 174.600 -0.115 0.000 1.287 509 S CA -0.479 57.651 58.200 -0.116 0.000 0.990 509 S CB 1.094 64.243 63.200 -0.083 0.000 0.950 509 S HN 0.385 nan 8.310 nan 0.000 0.561 510 A N 1.376 124.124 122.820 -0.120 0.000 2.445 510 A HA 0.464 4.783 4.320 -0.000 0.000 0.242 510 A C -0.141 177.353 177.584 -0.150 0.000 1.075 510 A CA -0.184 51.767 52.037 -0.143 0.000 0.777 510 A CB -0.180 18.713 19.000 -0.179 0.000 1.013 510 A HN 0.586 nan 8.150 nan 0.000 0.493 511 I N 0.776 121.275 120.570 -0.118 0.000 2.493 511 I HA 0.613 4.783 4.170 -0.000 0.000 0.298 511 I C 0.485 176.556 176.117 -0.076 0.000 0.998 511 I CA -0.170 61.068 61.300 -0.103 0.000 1.137 511 I CB 1.177 39.145 38.000 -0.054 0.000 1.310 511 I HN 0.740 nan 8.210 nan 0.000 0.445 512 A N 5.888 128.665 122.820 -0.071 0.000 2.435 512 A HA 0.815 5.135 4.320 -0.000 0.000 0.304 512 A C -1.026 176.707 177.584 0.248 0.000 1.064 512 A CA -0.515 51.569 52.037 0.079 0.000 0.727 512 A CB 1.758 20.766 19.000 0.013 0.000 1.284 512 A HN 0.377 nan 8.150 nan 0.000 0.415 513 V N 1.851 121.947 119.914 0.303 0.000 2.581 513 V HA 0.563 4.683 4.120 -0.000 0.000 0.303 513 V C 0.357 176.651 176.094 0.333 0.000 1.041 513 V CA -0.570 61.886 62.300 0.261 0.000 0.907 513 V CB 1.563 33.474 31.823 0.146 0.000 0.994 513 V HN 1.034 nan 8.190 nan 0.000 0.442 514 V N 2.337 122.391 119.914 0.234 0.000 2.686 514 V HA 0.813 4.933 4.120 -0.000 0.000 0.295 514 V C -0.375 175.769 176.094 0.083 0.000 1.057 514 V CA -0.508 61.901 62.300 0.182 0.000 1.012 514 V CB 0.956 32.837 31.823 0.097 0.000 1.006 514 V HN 1.086 nan 8.190 nan 0.000 0.477 515 K N 1.869 122.290 120.400 0.035 0.000 2.578 515 K HA 0.688 5.008 4.320 -0.000 0.000 0.269 515 K C 0.089 176.664 176.600 -0.042 0.000 0.941 515 K CA -0.536 55.727 56.287 -0.041 0.000 0.847 515 K CB 1.417 33.841 32.500 -0.126 0.000 1.397 515 K HN 1.944 nan 8.250 nan 0.000 0.422 516 G N 0.749 109.523 108.800 -0.043 0.000 2.149 516 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.235 516 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.235 516 G C 0.547 175.421 174.900 -0.044 0.000 1.018 516 G CA 0.122 45.197 45.100 -0.041 0.000 0.728 516 G HN 0.670 nan 8.290 nan 0.000 0.508 517 C N -0.263 119.010 119.300 -0.046 0.000 2.495 517 C HA 0.160 4.620 4.460 -0.000 0.000 0.275 517 C C 2.567 177.513 174.990 -0.074 0.000 1.392 517 C CA 0.987 59.962 59.018 -0.071 0.000 1.766 517 C CB -0.457 27.244 27.740 -0.064 0.000 1.933 517 C HN 0.574 nan 8.230 nan 0.000 0.519 518 R N 1.234 121.701 120.500 -0.055 0.000 2.173 518 R HA -0.003 4.337 4.340 -0.000 0.000 0.208 518 R C 1.988 178.260 176.300 -0.047 0.000 1.035 518 R CA 1.581 57.651 56.100 -0.050 0.000 1.004 518 R CB -1.322 28.955 30.300 -0.038 0.000 0.917 518 R HN 0.690 nan 8.270 nan 0.000 0.462 519 T N -0.911 113.616 114.554 -0.045 0.000 3.065 519 T HA 0.098 4.448 4.350 -0.000 0.000 0.252 519 T C 1.144 175.818 174.700 -0.045 0.000 1.099 519 T CA -0.162 61.914 62.100 -0.040 0.000 1.063 519 T CB -0.370 68.478 68.868 -0.034 0.000 0.948 519 T HN -0.025 nan 8.240 nan 0.000 0.506 520 V N 1.558 121.437 119.914 -0.057 0.000 2.686 520 V HA 0.547 4.667 4.120 -0.000 0.000 0.295 520 V C -0.285 175.771 176.094 -0.064 0.000 1.055 520 V CA -1.043 61.218 62.300 -0.064 0.000 1.050 520 V CB 0.578 32.351 31.823 -0.084 0.000 0.984 520 V HN 0.681 nan 8.190 nan 0.000 0.482 521 Q N 1.895 121.661 119.800 -0.057 0.000 2.615 521 Q HA 0.531 4.871 4.340 -0.000 0.000 0.298 521 Q C 0.390 176.360 176.000 -0.051 0.000 1.023 521 Q CA -1.104 54.670 55.803 -0.049 0.000 0.768 521 Q CB 1.632 30.351 28.738 -0.033 0.000 1.500 521 Q HN 0.367 nan 8.270 nan 0.000 0.441 522 K N 0.833 121.209 120.400 -0.041 0.000 2.113 522 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 522 K C 1.775 178.356 176.600 -0.033 0.000 1.047 522 K CA 2.431 58.695 56.287 -0.039 0.000 0.928 522 K CB -0.867 31.618 32.500 -0.024 0.000 0.716 522 K HN 0.675 nan 8.250 nan 0.000 0.446 523 A N 0.475 123.280 122.820 -0.025 0.000 2.125 523 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 523 A C 1.319 178.886 177.584 -0.028 0.000 1.156 523 A CA 1.842 53.868 52.037 -0.019 0.000 0.671 523 A CB -0.377 18.615 19.000 -0.014 0.000 0.794 523 A HN 0.391 nan 8.150 nan 0.000 0.459 524 D N -0.597 119.778 120.400 -0.043 0.000 2.348 524 D HA 0.041 4.681 4.640 -0.000 0.000 0.211 524 D C 0.360 176.613 176.300 -0.079 0.000 0.998 524 D CA 0.252 54.218 54.000 -0.056 0.000 0.873 524 D CB -0.101 40.665 40.800 -0.056 0.000 0.925 524 D HN 0.285 nan 8.370 nan 0.000 0.524 525 M N 1.802 121.357 119.600 -0.075 0.000 2.307 525 M HA 0.054 4.534 4.480 -0.000 0.000 0.346 525 M C 0.010 176.247 176.300 -0.105 0.000 1.552 525 M CA -0.164 55.082 55.300 -0.090 0.000 1.116 525 M CB 0.609 33.166 32.600 -0.071 0.000 1.889 525 M HN -0.319 nan 8.290 nan 0.000 0.460 526 V N 6.368 126.174 119.914 -0.180 0.000 2.509 526 V HA -0.088 4.032 4.120 -0.000 0.000 0.297 526 V C 1.160 177.133 176.094 -0.202 0.000 1.014 526 V CA 0.341 62.456 62.300 -0.309 0.000 1.127 526 V CB -0.884 30.635 31.823 -0.508 0.000 0.925 526 V HN 0.903 nan 8.190 nan 0.000 0.480 527 H N 2.649 121.735 119.070 0.027 0.000 3.366 527 H HA -0.161 4.395 4.556 -0.000 0.000 0.233 527 H C 0.594 175.944 175.328 0.037 0.000 1.102 527 H CA 1.368 57.459 56.048 0.071 0.000 1.184 527 H CB -1.278 28.458 29.762 -0.043 0.000 1.216 527 H HN 0.854 nan 8.280 nan 0.000 0.317 528 N N 0.038 118.789 118.700 0.085 0.000 2.687 528 N HA 0.122 4.862 4.740 -0.000 0.000 0.275 528 N C 0.216 175.738 175.510 0.021 0.000 1.789 528 N CA 0.663 53.738 53.050 0.042 0.000 0.806 528 N CB 0.982 39.468 38.487 -0.001 0.000 1.256 528 N HN 0.296 nan 8.380 nan 0.000 0.500 529 S N -0.754 114.970 115.700 0.039 0.000 2.593 529 S HA 0.152 4.622 4.470 -0.000 0.000 0.236 529 S C 0.438 175.051 174.600 0.023 0.000 0.991 529 S CA -0.412 57.799 58.200 0.019 0.000 0.963 529 S CB 0.269 63.480 63.200 0.018 0.000 0.865 529 S HN 0.257 nan 8.310 nan 0.000 0.488 530 L N 2.636 123.880 121.223 0.035 0.000 2.453 530 L HA 0.324 4.664 4.340 -0.000 0.000 0.272 530 L C -0.168 176.714 176.870 0.019 0.000 1.182 530 L CA 0.874 55.733 54.840 0.031 0.000 0.858 530 L CB 0.481 42.565 42.059 0.043 0.000 1.120 530 L HN 0.284 nan 8.230 nan 0.000 0.474 531 Q N 6.964 126.768 119.800 0.006 0.000 2.607 531 Q HA 0.388 4.728 4.340 -0.000 0.000 0.247 531 Q C -2.251 173.739 176.000 -0.016 0.000 1.033 531 Q CA -1.718 54.078 55.803 -0.011 0.000 0.769 531 Q CB 1.013 29.733 28.738 -0.031 0.000 1.169 531 Q HN 0.553 nan 8.270 nan 0.000 0.508 532 P HA 0.061 nan 4.420 nan 0.000 0.277 532 P C -0.589 176.699 177.300 -0.019 0.000 1.240 532 P CA -0.487 62.611 63.100 -0.002 0.000 0.798 532 P CB 0.885 32.594 31.700 0.016 0.000 0.979 533 N N 2.301 120.989 118.700 -0.020 0.000 2.739 533 N HA 0.139 4.879 4.740 -0.000 0.000 0.266 533 N C -0.554 174.950 175.510 -0.010 0.000 1.168 533 N CA -0.202 52.832 53.050 -0.027 0.000 1.055 533 N CB -0.999 37.474 38.487 -0.023 0.000 1.393 533 N HN 0.418 nan 8.380 nan 0.000 0.514 534 I N 2.198 122.766 120.570 -0.003 0.000 2.437 534 I HA 0.480 4.650 4.170 -0.000 0.000 0.298 534 I C -0.403 175.725 176.117 0.018 0.000 0.984 534 I CA -0.336 60.973 61.300 0.015 0.000 1.214 534 I CB 1.191 39.213 38.000 0.036 0.000 1.365 534 I HN 0.489 nan 8.210 nan 0.000 0.469 535 T N 3.873 118.438 114.554 0.019 0.000 2.903 535 T HA 0.668 5.018 4.350 -0.000 0.000 0.299 535 T C -0.968 173.748 174.700 0.026 0.000 1.093 535 T CA -0.713 61.398 62.100 0.019 0.000 1.002 535 T CB 1.783 70.657 68.868 0.009 0.000 1.127 535 T HN 0.286 nan 8.240 nan 0.000 0.488 536 V N 2.007 121.940 119.914 0.030 0.000 2.487 536 V HA 0.409 4.529 4.120 -0.000 0.000 0.298 536 V C -0.321 175.800 176.094 0.046 0.000 1.028 536 V CA -0.880 61.447 62.300 0.046 0.000 0.860 536 V CB 1.723 33.579 31.823 0.056 0.000 0.991 536 V HN 1.058 nan 8.190 nan 0.000 0.427 537 D N 3.498 123.930 120.400 0.054 0.000 2.339 537 D HA 0.237 4.877 4.640 -0.000 0.000 0.256 537 D C 1.102 177.444 176.300 0.069 0.000 1.214 537 D CA 0.398 54.418 54.000 0.033 0.000 0.877 537 D CB 2.083 42.886 40.800 0.005 0.000 1.111 537 D HN 0.670 nan 8.370 nan 0.000 0.478 538 A N 4.273 127.114 122.820 0.035 0.000 1.986 538 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 538 A C 1.906 179.519 177.584 0.048 0.000 1.171 538 A CA 1.650 53.721 52.037 0.056 0.000 0.640 538 A CB -0.104 18.881 19.000 -0.024 0.000 0.811 538 A HN 0.675 nan 8.150 nan 0.000 0.451 539 Q N -1.334 118.425 119.800 -0.068 0.000 2.178 539 Q HA -0.011 4.329 4.340 -0.000 0.000 0.195 539 Q C 2.199 177.923 176.000 -0.461 0.000 0.960 539 Q CA 1.642 57.327 55.803 -0.196 0.000 0.843 539 Q CB -0.239 28.422 28.738 -0.128 0.000 0.927 539 Q HN 0.764 nan 8.270 nan 0.000 0.487 540 T N -3.142 111.222 114.554 -0.316 0.000 3.067 540 T HA -0.016 4.334 4.350 -0.000 0.000 0.257 540 T C -0.125 174.418 174.700 -0.262 0.000 1.105 540 T CA 0.157 62.058 62.100 -0.332 0.000 1.104 540 T CB -0.005 68.780 68.868 -0.139 0.000 0.925 540 T HN 0.275 nan 8.240 nan 0.000 0.498 541 Y N 0.422 120.712 120.300 -0.016 0.000 4.907 541 Y HA -0.187 4.363 4.550 -0.000 0.000 0.246 541 Y C 0.258 176.145 175.900 -0.022 0.000 0.968 541 Y CA -0.326 57.764 58.100 -0.018 0.000 1.961 541 Y CB -2.909 35.539 38.460 -0.020 0.000 1.487 541 Y HN 0.502 nan 8.280 nan 0.000 0.575 542 E N 0.543 120.800 120.200 0.094 0.000 2.415 542 E HA 0.335 4.684 4.350 -0.000 0.000 0.263 542 E C 0.010 176.635 176.600 0.041 0.000 0.995 542 E CA -0.073 56.355 56.400 0.047 0.000 0.915 542 E CB 1.065 30.774 29.700 0.015 0.000 0.951 542 E HN 0.033 nan 8.360 nan 0.000 0.449 543 V N 4.779 124.707 119.914 0.024 0.000 2.439 543 V HA 0.354 4.474 4.120 -0.000 0.000 0.282 543 V C 0.172 176.271 176.094 0.009 0.000 1.039 543 V CA -0.366 61.944 62.300 0.016 0.000 0.913 543 V CB 1.098 32.922 31.823 0.001 0.000 0.983 543 V HN 0.615 nan 8.190 nan 0.000 0.460 544 R N 2.950 123.457 120.500 0.011 0.000 2.686 544 R HA 0.784 5.124 4.340 -0.000 0.000 0.283 544 R C -1.741 174.563 176.300 0.007 0.000 0.978 544 R CA -0.750 55.354 56.100 0.006 0.000 0.897 544 R CB 2.675 32.978 30.300 0.005 0.000 1.192 544 R HN 0.479 nan 8.270 nan 0.000 0.457 545 V N 2.892 122.808 119.914 0.005 0.000 2.444 545 V HA 0.169 4.289 4.120 -0.000 0.000 0.294 545 V C -0.364 175.732 176.094 0.002 0.000 1.022 545 V CA -0.552 61.750 62.300 0.004 0.000 0.850 545 V CB 1.585 33.412 31.823 0.006 0.000 0.992 545 V HN 0.873 nan 8.190 nan 0.000 0.426 546 D N 4.352 124.752 120.400 -0.001 0.000 2.772 546 D HA -0.214 4.426 4.640 -0.000 0.000 0.233 546 D C 1.361 177.661 176.300 -0.001 0.000 1.143 546 D CA 1.700 55.699 54.000 -0.002 0.000 0.700 546 D CB -1.007 39.792 40.800 -0.001 0.000 1.076 546 D HN 1.383 nan 8.370 nan 0.000 0.430 547 G N -0.005 108.795 108.800 -0.001 0.000 2.304 547 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.252 547 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.252 547 G C 0.171 175.071 174.900 0.001 0.000 1.014 547 G CA 0.817 45.917 45.100 -0.001 0.000 0.619 547 G HN 0.713 nan 8.290 nan 0.000 0.525 548 E N 1.010 121.211 120.200 0.002 0.000 2.331 548 E HA 0.566 4.916 4.350 -0.000 0.000 0.272 548 E C 0.120 176.723 176.600 0.004 0.000 1.036 548 E CA -0.998 55.404 56.400 0.003 0.000 0.864 548 E CB 1.615 31.317 29.700 0.004 0.000 1.035 548 E HN 0.422 nan 8.360 nan 0.000 0.408 549 L N 4.167 125.393 121.223 0.004 0.000 2.367 549 L HA 0.198 4.538 4.340 -0.000 0.000 0.275 549 L C -0.826 176.047 176.870 0.004 0.000 1.129 549 L CA -0.143 54.699 54.840 0.004 0.000 0.839 549 L CB 0.532 42.594 42.059 0.005 0.000 1.133 549 L HN 0.568 nan 8.230 nan 0.000 0.453 550 I N 5.077 125.647 120.570 0.000 0.000 2.354 550 I HA 0.522 4.692 4.170 -0.000 0.000 0.292 550 I C 0.300 176.412 176.117 -0.008 0.000 0.989 550 I CA -0.100 61.197 61.300 -0.005 0.000 1.188 550 I CB 0.878 38.869 38.000 -0.015 0.000 1.342 550 I HN 0.719 nan 8.210 nan 0.000 0.457 551 T N 3.938 118.493 114.554 0.002 0.000 2.700 551 T HA 0.661 5.011 4.350 -0.000 0.000 0.307 551 T C -1.180 173.544 174.700 0.040 0.000 1.580 551 T CA -0.281 61.825 62.100 0.009 0.000 0.992 551 T CB 1.439 70.319 68.868 0.020 0.000 1.577 551 T HN 0.834 nan 8.240 nan 0.000 0.496 552 S N 0.807 116.558 115.700 0.084 0.000 2.643 552 S HA 0.766 5.236 4.470 -0.000 0.000 0.270 552 S C -1.880 172.850 174.600 0.216 0.000 1.166 552 S CA -0.968 57.309 58.200 0.129 0.000 0.815 552 S CB 1.895 65.175 63.200 0.134 0.000 1.139 552 S HN 0.645 nan 8.310 nan 0.000 0.472 553 E N 1.853 122.142 120.200 0.147 0.000 2.191 553 E HA 0.519 4.869 4.350 -0.000 0.000 0.274 553 E C -2.640 173.909 176.600 -0.085 0.000 0.948 553 E CA -2.250 54.190 56.400 0.067 0.000 0.802 553 E CB 1.627 31.337 29.700 0.016 0.000 1.137 553 E HN 0.498 nan 8.360 nan 0.000 0.397 554 P HA 0.132 nan 4.420 nan 0.000 0.276 554 P C -0.812 176.308 177.300 -0.300 0.000 1.230 554 P CA -0.244 62.408 63.100 -0.746 0.000 0.776 554 P CB 0.843 31.887 31.700 -1.095 0.000 0.888 555 A N 3.336 126.040 122.820 -0.192 0.000 2.388 555 A HA 0.213 4.533 4.320 -0.000 0.000 0.257 555 A C 1.252 178.791 177.584 -0.076 0.000 1.095 555 A CA -0.372 51.618 52.037 -0.079 0.000 0.791 555 A CB 0.080 19.073 19.000 -0.011 0.000 1.029 555 A HN 0.665 nan 8.150 nan 0.000 0.489 556 D N 0.700 121.075 120.400 -0.042 0.000 2.338 556 D HA 0.082 4.722 4.640 -0.000 0.000 0.208 556 D C 0.090 176.383 176.300 -0.012 0.000 0.997 556 D CA 0.589 54.570 54.000 -0.032 0.000 0.880 556 D CB 0.043 40.828 40.800 -0.025 0.000 0.980 556 D HN 0.203 nan 8.370 nan 0.000 0.509 557 V N 0.912 120.827 119.914 0.002 0.000 2.841 557 V HA 0.417 4.537 4.120 -0.000 0.000 0.310 557 V C -0.622 175.483 176.094 0.020 0.000 1.090 557 V CA -0.872 61.434 62.300 0.011 0.000 0.930 557 V CB 2.716 34.547 31.823 0.013 0.000 1.014 557 V HN 0.064 nan 8.190 nan 0.000 0.425 558 L N 4.329 125.557 121.223 0.009 0.000 2.354 558 L HA 0.653 4.993 4.340 -0.000 0.000 0.264 558 L C -2.442 174.398 176.870 -0.051 0.000 1.008 558 L CA -1.745 53.086 54.840 -0.014 0.000 0.819 558 L CB 2.839 44.900 42.059 0.004 0.000 1.339 558 L HN 0.460 nan 8.230 nan 0.000 0.420 559 P HA 0.330 nan 4.420 nan 0.000 0.279 559 P C -0.255 177.041 177.300 -0.007 0.000 1.282 559 P CA -0.548 62.470 63.100 -0.137 0.000 0.788 559 P CB 0.360 31.841 31.700 -0.365 0.000 1.139 560 M N -2.725 116.930 119.600 0.090 0.000 2.333 560 M HA -0.286 4.194 4.480 -0.000 0.000 0.199 560 M C 0.272 176.726 176.300 0.256 0.000 0.376 560 M CA 0.809 56.152 55.300 0.072 0.000 0.440 560 M CB -2.205 30.357 32.600 -0.064 0.000 1.506 560 M HN 0.482 nan 8.290 nan 0.000 0.889 561 A N -0.240 122.774 122.820 0.324 0.000 2.751 561 A HA 0.300 4.620 4.320 -0.000 0.000 0.201 561 A C 1.086 178.893 177.584 0.373 0.000 1.619 561 A CA 0.232 52.456 52.037 0.313 0.000 1.607 561 A CB 0.022 19.105 19.000 0.139 0.000 1.580 561 A HN 0.446 nan 8.150 nan 0.000 0.499 562 Q N -0.237 119.681 119.800 0.196 0.000 2.368 562 Q HA -0.137 4.203 4.340 -0.000 0.000 0.210 562 Q C 1.927 177.959 176.000 0.054 0.000 0.982 562 Q CA 1.385 57.269 55.803 0.135 0.000 0.884 562 Q CB -0.123 28.652 28.738 0.062 0.000 0.933 562 Q HN 0.544 nan 8.270 nan 0.000 0.460 563 R N -0.547 119.943 120.500 -0.017 0.000 2.236 563 R HA -0.104 4.236 4.340 -0.000 0.000 0.208 563 R C 0.724 176.754 176.300 -0.450 0.000 1.036 563 R CA 0.973 56.902 56.100 -0.285 0.000 1.001 563 R CB 0.285 30.301 30.300 -0.472 0.000 0.896 563 R HN 0.274 nan 8.270 nan 0.000 0.464 564 Y N -1.885 118.365 120.300 -0.084 0.000 2.535 564 Y HA 0.263 4.813 4.550 -0.000 0.000 0.264 564 Y C -0.074 175.577 175.900 -0.415 0.000 1.087 564 Y CA -0.476 57.468 58.100 -0.259 0.000 1.285 564 Y CB 0.501 38.691 38.460 -0.449 0.000 1.200 564 Y HN -0.167 nan 8.280 nan 0.000 0.514 565 F N 0.063 120.126 119.950 0.189 0.000 2.421 565 F HA 0.269 4.796 4.527 -0.000 0.000 0.337 565 F C 0.851 176.669 175.800 0.030 0.000 1.105 565 F CA -0.826 57.251 58.000 0.127 0.000 1.049 565 F CB 1.388 40.466 39.000 0.130 0.000 1.139 565 F HN -0.195 nan 8.300 nan 0.000 0.479 566 L N 2.264 123.588 121.223 0.168 0.000 2.217 566 L HA 0.172 4.512 4.340 -0.000 0.000 0.211 566 L C -0.484 176.159 176.870 -0.378 0.000 1.107 566 L CA 1.732 56.498 54.840 -0.124 0.000 0.783 566 L CB -0.380 41.602 42.059 -0.129 0.000 0.919 566 L HN 0.450 nan 8.230 nan 0.000 0.442 567 F N 0.000 120.042 119.950 0.154 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.052 58.000 0.087 0.000 1.383 567 F CB 0.000 39.032 39.000 0.053 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574