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 1jv3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNINDLKLTL SKAGQEHLLR FWNELEEAQQ VELYAELQAM NFEELNFFFQ DATA SEQUENCE KAIEGFXXXX XXXXXXXRME PVPREVLGSA TRDQDQLQAW ESEGLFQISQ DATA SEQUENCE NKVAVLLLAG GQGTRLGVAY PKGMYDVGLP SRKTLFQIQA ERILKLQQVA DATA SEQUENCE EKYYGNKCII PWYIMTSGRT MESTKEFFTK HKYFGLKKEN VIFFQQGMLP DATA SEQUENCE AMSFDGKIIL EEKNKVSMAP DGNGGLYRAL AAQNIVEDME QRGIWSIHVY DATA SEQUENCE CVDNILVKVA DPRFIGFCIQ KGADCGAKVV EKTNPTEPVG VVCRVDGVYQ DATA SEQUENCE VVEYSEISLA TAQKRSSDGR LLFNAGNIAN HFFTVPFLRD VVNVYEPQLQ DATA SEQUENCE HHVAQKKIPY VDTQGQLIKP DKPNGIKMEK FVFDIFQFAK KFVVYEVLRE DATA SEQUENCE DEFSPLKNAD SQNGKDNPTT ARHALMSLHH CWVLNAGGHF IDENGSRLPA DATA SEQUENCE IPRLKDANDV PIQCEISPLI SYAGEGLESY VADKEFHAPL IIDENGVHEL DATA SEQUENCE V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.375 176.300 0.125 0.000 1.140 1 M CA 0.000 55.353 55.300 0.089 0.000 0.988 1 M CB 0.000 32.664 32.600 0.107 0.000 1.302 2 N N 0.585 119.351 118.700 0.109 0.000 3.038 2 N HA 0.801 5.542 4.740 0.002 0.000 0.307 2 N C 0.612 176.206 175.510 0.139 0.000 1.441 2 N CA -0.490 52.616 53.050 0.094 0.000 0.772 2 N CB 1.843 40.346 38.487 0.026 0.000 1.651 2 N HN 1.000 nan 8.380 nan 0.000 0.593 3 I N 0.754 121.368 120.570 0.073 0.000 2.657 3 I HA -0.168 4.003 4.170 0.002 0.000 0.261 3 I C 1.292 177.337 176.117 -0.119 0.000 1.212 3 I CA 1.008 62.282 61.300 -0.043 0.000 1.453 3 I CB -0.904 36.975 38.000 -0.202 0.000 1.092 3 I HN 0.484 nan 8.210 nan 0.000 0.452 4 N N 0.631 119.295 118.700 -0.059 0.000 2.173 4 N HA -0.112 4.629 4.740 0.002 0.000 0.184 4 N C 1.370 176.840 175.510 -0.067 0.000 1.025 4 N CA 1.525 54.533 53.050 -0.070 0.000 0.852 4 N CB -0.281 38.181 38.487 -0.040 0.000 0.998 4 N HN 0.415 nan 8.380 nan 0.000 0.427 5 D N 1.059 121.438 120.400 -0.035 0.000 2.144 5 D HA -0.114 4.527 4.640 0.002 0.000 0.200 5 D C 2.071 178.330 176.300 -0.068 0.000 0.978 5 D CA 0.361 54.339 54.000 -0.037 0.000 0.833 5 D CB -0.231 40.565 40.800 -0.005 0.000 0.961 5 D HN 0.123 nan 8.370 nan 0.000 0.470 6 L N 1.526 122.702 121.223 -0.079 0.000 2.017 6 L HA -0.152 4.190 4.340 0.002 0.000 0.208 6 L C 2.200 178.948 176.870 -0.203 0.000 1.073 6 L CA 1.806 56.556 54.840 -0.150 0.000 0.745 6 L CB -0.570 41.371 42.059 -0.197 0.000 0.894 6 L HN -0.192 nan 8.230 nan 0.000 0.432 7 K N -0.858 119.418 120.400 -0.206 0.000 2.074 7 K HA -0.242 4.079 4.320 0.002 0.000 0.209 7 K C 2.090 178.582 176.600 -0.181 0.000 1.048 7 K CA 1.999 58.156 56.287 -0.218 0.000 0.926 7 K CB -0.503 31.877 32.500 -0.200 0.000 0.713 7 K HN 0.319 nan 8.250 nan 0.000 0.444 8 L N 0.780 121.921 121.223 -0.138 0.000 2.017 8 L HA -0.158 4.183 4.340 0.002 0.000 0.208 8 L C 1.978 178.772 176.870 -0.126 0.000 1.073 8 L CA 2.123 56.896 54.840 -0.111 0.000 0.745 8 L CB -1.062 40.950 42.059 -0.078 0.000 0.894 8 L HN 0.251 nan 8.230 nan 0.000 0.432 9 T N -0.076 114.398 114.554 -0.133 0.000 2.684 9 T HA -0.213 4.138 4.350 0.002 0.000 0.267 9 T C 1.974 176.522 174.700 -0.254 0.000 1.036 9 T CA 2.031 64.049 62.100 -0.138 0.000 1.148 9 T CB -0.365 68.444 68.868 -0.098 0.000 0.863 9 T HN 0.289 nan 8.240 nan 0.000 0.436 10 L N 0.386 121.384 121.223 -0.375 0.000 2.056 10 L HA -0.079 4.263 4.340 0.002 0.000 0.207 10 L C 2.895 179.575 176.870 -0.317 0.000 1.078 10 L CA 0.980 55.496 54.840 -0.539 0.000 0.749 10 L CB -0.543 41.196 42.059 -0.533 0.000 0.901 10 L HN 0.243 nan 8.230 nan 0.000 0.433 11 S N -0.147 115.423 115.700 -0.217 0.000 2.359 11 S HA -0.210 4.261 4.470 0.002 0.000 0.224 11 S C 1.960 176.494 174.600 -0.110 0.000 1.035 11 S CA 1.467 59.582 58.200 -0.141 0.000 1.018 11 S CB -0.051 63.080 63.200 -0.115 0.000 0.876 11 S HN 0.314 nan 8.310 nan 0.000 0.448 12 K N 0.588 120.925 120.400 -0.105 0.000 2.280 12 K HA 0.042 4.363 4.320 0.002 0.000 0.202 12 K C 1.676 178.240 176.600 -0.060 0.000 1.047 12 K CA 1.036 57.281 56.287 -0.070 0.000 0.942 12 K CB -0.158 32.309 32.500 -0.056 0.000 0.739 12 K HN 0.378 nan 8.250 nan 0.000 0.457 13 A N 0.455 123.220 122.820 -0.092 0.000 2.337 13 A HA 0.274 4.595 4.320 0.002 0.000 0.227 13 A C 1.151 178.700 177.584 -0.057 0.000 1.259 13 A CA 0.462 52.467 52.037 -0.054 0.000 0.870 13 A CB -0.188 18.785 19.000 -0.045 0.000 0.927 13 A HN 0.344 nan 8.150 nan 0.000 0.497 14 G N -0.708 108.050 108.800 -0.070 0.000 2.198 14 G HA2 -0.237 3.724 3.960 0.002 0.000 0.260 14 G HA3 -0.237 3.724 3.960 0.002 0.000 0.260 14 G C 0.307 175.196 174.900 -0.018 0.000 1.025 14 G CA 0.540 45.610 45.100 -0.050 0.000 0.769 14 G HN 0.473 nan 8.290 nan 0.000 0.507 15 Q N -0.516 119.241 119.800 -0.073 0.000 2.135 15 Q HA 0.150 4.491 4.340 0.002 0.000 0.231 15 Q C 1.824 177.705 176.000 -0.198 0.000 0.817 15 Q CA 0.566 56.335 55.803 -0.058 0.000 1.073 15 Q CB 0.348 28.945 28.738 -0.234 0.000 1.176 15 Q HN 0.943 nan 8.270 nan 0.000 0.478 16 E N 0.817 120.953 120.200 -0.107 0.000 2.204 16 E HA -0.233 4.119 4.350 0.002 0.000 0.195 16 E C 1.381 177.893 176.600 -0.146 0.000 0.990 16 E CA 1.317 57.625 56.400 -0.154 0.000 0.821 16 E CB -0.343 29.293 29.700 -0.108 0.000 0.750 16 E HN 0.444 nan 8.360 nan 0.000 0.477 17 H N 1.298 120.296 119.070 -0.120 0.000 2.518 17 H HA -0.049 4.508 4.556 0.002 0.000 0.289 17 H C 1.869 177.155 175.328 -0.070 0.000 1.051 17 H CA 0.890 56.875 56.048 -0.106 0.000 1.280 17 H CB -0.551 29.157 29.762 -0.091 0.000 1.380 17 H HN 0.282 nan 8.280 nan 0.000 0.566 18 L N 0.407 121.215 121.223 -0.691 0.000 2.362 18 L HA -0.050 4.292 4.340 0.002 0.000 0.219 18 L C 1.942 178.752 176.870 -0.100 0.000 1.134 18 L CA 0.613 55.218 54.840 -0.391 0.000 0.807 18 L CB -0.095 41.751 42.059 -0.355 0.000 0.927 18 L HN 0.240 nan 8.230 nan 0.000 0.447 19 L N -0.374 120.783 121.223 -0.111 0.000 2.728 19 L HA 0.090 4.431 4.340 0.002 0.000 0.238 19 L C 2.386 179.277 176.870 0.036 0.000 1.143 19 L CA -0.113 54.730 54.840 0.006 0.000 0.937 19 L CB -0.167 41.808 42.059 -0.139 0.000 1.225 19 L HN 0.273 nan 8.230 nan 0.000 0.507 20 R N 0.513 120.955 120.500 -0.097 0.000 2.159 20 R HA -0.170 4.172 4.340 0.002 0.000 0.237 20 R C 1.116 177.259 176.300 -0.262 0.000 1.131 20 R CA 1.814 57.767 56.100 -0.245 0.000 0.982 20 R CB -0.467 29.559 30.300 -0.455 0.000 0.868 20 R HN 0.258 nan 8.270 nan 0.000 0.453 21 F N -0.797 119.227 119.950 0.124 0.000 2.727 21 F HA 0.150 4.678 4.527 0.002 0.000 0.302 21 F C 1.992 177.880 175.800 0.146 0.000 1.097 21 F CA -0.860 57.204 58.000 0.107 0.000 1.330 21 F CB -0.159 38.884 39.000 0.072 0.000 1.084 21 F HN 0.078 nan 8.300 nan 0.000 0.578 22 W N 2.164 123.544 121.300 0.134 0.000 2.290 22 W HA -0.315 4.346 4.660 0.002 0.000 0.318 22 W C 1.112 177.676 176.519 0.075 0.000 1.248 22 W CA 1.960 59.360 57.345 0.092 0.000 1.263 22 W CB -0.319 29.172 29.460 0.052 0.000 1.147 22 W HN 0.042 nan 8.180 nan 0.000 0.494 23 N N 0.511 119.339 118.700 0.212 0.000 2.550 23 N HA -0.097 4.645 4.740 0.002 0.000 0.186 23 N C 1.074 176.596 175.510 0.019 0.000 1.110 23 N CA 1.230 54.329 53.050 0.082 0.000 0.912 23 N CB -0.365 38.198 38.487 0.126 0.000 0.968 23 N HN 0.479 nan 8.380 nan 0.000 0.448 24 E N -0.293 119.940 120.200 0.055 0.000 2.476 24 E HA 0.156 4.508 4.350 0.002 0.000 0.199 24 E C 0.037 176.621 176.600 -0.025 0.000 1.021 24 E CA -0.108 56.317 56.400 0.041 0.000 0.907 24 E CB 0.607 30.381 29.700 0.123 0.000 0.974 24 E HN 0.242 nan 8.360 nan 0.000 0.489 25 L N 2.050 123.219 121.223 -0.090 0.000 2.418 25 L HA 0.192 4.533 4.340 0.002 0.000 0.265 25 L C 0.650 177.410 176.870 -0.183 0.000 1.143 25 L CA -0.378 54.373 54.840 -0.148 0.000 0.809 25 L CB 0.647 42.575 42.059 -0.219 0.000 1.124 25 L HN -0.004 nan 8.230 nan 0.000 0.456 26 E N 0.988 121.101 120.200 -0.145 0.000 2.392 26 E HA 0.013 4.365 4.350 0.002 0.000 0.256 26 E C 0.398 176.893 176.600 -0.175 0.000 1.145 26 E CA -0.363 55.960 56.400 -0.129 0.000 0.929 26 E CB 0.831 30.477 29.700 -0.090 0.000 0.998 26 E HN 0.526 nan 8.360 nan 0.000 0.442 27 E N 0.822 120.932 120.200 -0.149 0.000 2.118 27 E HA -0.258 4.094 4.350 0.002 0.000 0.195 27 E C 1.871 178.389 176.600 -0.137 0.000 0.992 27 E CA 1.326 57.629 56.400 -0.163 0.000 0.804 27 E CB -0.101 29.534 29.700 -0.109 0.000 0.741 27 E HN 0.599 nan 8.360 nan 0.000 0.458 28 A N 0.821 123.584 122.820 -0.095 0.000 1.969 28 A HA -0.227 4.095 4.320 0.002 0.000 0.218 28 A C 1.979 179.526 177.584 -0.062 0.000 1.169 28 A CA 1.227 53.226 52.037 -0.064 0.000 0.635 28 A CB -0.266 18.707 19.000 -0.045 0.000 0.810 28 A HN 0.184 nan 8.150 nan 0.000 0.445 29 Q N -0.713 119.033 119.800 -0.090 0.000 2.123 29 Q HA -0.166 4.175 4.340 0.002 0.000 0.199 29 Q C 2.232 178.176 176.000 -0.093 0.000 0.966 29 Q CA 1.426 57.184 55.803 -0.075 0.000 0.845 29 Q CB -0.155 28.531 28.738 -0.087 0.000 0.907 29 Q HN 0.771 nan 8.270 nan 0.000 0.439 30 Q N -0.146 119.510 119.800 -0.240 0.000 2.124 30 Q HA -0.128 4.213 4.340 0.002 0.000 0.202 30 Q C 2.197 178.195 176.000 -0.003 0.000 0.977 30 Q CA 1.287 56.844 55.803 -0.410 0.000 0.850 30 Q CB 0.001 28.145 28.738 -0.989 0.000 0.901 30 Q HN 0.201 nan 8.270 nan 0.000 0.429 31 V N 1.224 121.136 119.914 -0.003 0.000 2.295 31 V HA -0.277 3.844 4.120 0.002 0.000 0.246 31 V C 2.206 178.396 176.094 0.160 0.000 1.049 31 V CA 2.092 64.443 62.300 0.085 0.000 1.024 31 V CB -0.535 31.299 31.823 0.020 0.000 0.648 31 V HN 0.412 nan 8.190 nan 0.000 0.447 32 E N -0.160 120.101 120.200 0.101 0.000 2.031 32 E HA -0.263 4.089 4.350 0.002 0.000 0.193 32 E C 2.236 178.928 176.600 0.153 0.000 0.994 32 E CA 1.667 58.129 56.400 0.103 0.000 0.800 32 E CB -0.166 29.568 29.700 0.056 0.000 0.752 32 E HN 0.403 nan 8.360 nan 0.000 0.447 33 L N 0.518 121.850 121.223 0.181 0.000 2.012 33 L HA -0.209 4.132 4.340 0.002 0.000 0.210 33 L C 2.297 179.344 176.870 0.295 0.000 1.073 33 L CA 2.016 56.996 54.840 0.232 0.000 0.748 33 L CB -0.976 41.261 42.059 0.296 0.000 0.891 33 L HN 0.298 nan 8.230 nan 0.000 0.431 34 Y N 0.220 120.700 120.300 0.300 0.000 2.053 34 Y HA -0.345 4.207 4.550 0.002 0.000 0.277 34 Y C 2.434 178.422 175.900 0.147 0.000 1.159 34 Y CA 2.430 60.683 58.100 0.254 0.000 1.125 34 Y CB -0.723 37.924 38.460 0.312 0.000 0.969 34 Y HN 0.281 nan 8.280 nan 0.000 0.492 35 A N 0.093 123.107 122.820 0.323 0.000 1.892 35 A HA -0.311 4.010 4.320 0.002 0.000 0.218 35 A C 2.249 179.865 177.584 0.054 0.000 1.188 35 A CA 2.122 54.265 52.037 0.177 0.000 0.631 35 A CB -1.088 18.018 19.000 0.177 0.000 0.822 35 A HN 0.705 nan 8.150 nan 0.000 0.447 36 E N -0.194 120.047 120.200 0.068 0.000 2.077 36 E HA -0.173 4.178 4.350 0.002 0.000 0.193 36 E C 1.941 178.545 176.600 0.007 0.000 0.989 36 E CA 1.219 57.641 56.400 0.037 0.000 0.800 36 E CB -0.219 29.516 29.700 0.057 0.000 0.746 36 E HN 0.651 nan 8.360 nan 0.000 0.452 37 L N 0.569 121.805 121.223 0.020 0.000 2.141 37 L HA -0.173 4.169 4.340 0.002 0.000 0.209 37 L C 2.702 179.578 176.870 0.010 0.000 1.094 37 L CA 0.767 55.652 54.840 0.076 0.000 0.763 37 L CB -0.406 41.691 42.059 0.065 0.000 0.908 37 L HN 0.194 nan 8.230 nan 0.000 0.437 38 Q N 0.015 119.731 119.800 -0.140 0.000 2.224 38 Q HA -0.062 4.280 4.340 0.002 0.000 0.203 38 Q C 1.991 177.941 176.000 -0.084 0.000 0.970 38 Q CA 1.341 57.056 55.803 -0.146 0.000 0.865 38 Q CB -0.055 28.543 28.738 -0.233 0.000 0.922 38 Q HN 0.488 nan 8.270 nan 0.000 0.445 39 A N -0.283 122.489 122.820 -0.080 0.000 2.302 39 A HA 0.210 4.532 4.320 0.002 0.000 0.219 39 A C 0.635 178.132 177.584 -0.146 0.000 1.243 39 A CA -0.015 51.974 52.037 -0.079 0.000 0.856 39 A CB -0.083 18.892 19.000 -0.041 0.000 0.893 39 A HN 0.170 nan 8.150 nan 0.000 0.491 40 M N 0.148 119.587 119.600 -0.268 0.000 2.472 40 M HA 0.279 4.760 4.480 0.002 0.000 0.331 40 M C -0.321 175.628 176.300 -0.584 0.000 1.170 40 M CA -0.629 54.377 55.300 -0.490 0.000 1.009 40 M CB 1.431 33.545 32.600 -0.811 0.000 1.672 40 M HN 0.137 nan 8.290 nan 0.000 0.453 41 N N 2.002 120.431 118.700 -0.452 0.000 2.678 41 N HA 0.237 4.978 4.740 0.002 0.000 0.231 41 N C -0.174 175.138 175.510 -0.330 0.000 1.038 41 N CA -0.057 52.812 53.050 -0.302 0.000 0.932 41 N CB 0.229 38.610 38.487 -0.177 0.000 1.176 41 N HN 0.533 nan 8.380 nan 0.000 0.511 42 F N 1.250 121.167 119.950 -0.056 0.000 2.216 42 F HA -0.080 4.448 4.527 0.002 0.000 0.300 42 F C 1.995 177.767 175.800 -0.047 0.000 1.085 42 F CA 0.951 58.921 58.000 -0.049 0.000 1.326 42 F CB 0.275 39.243 39.000 -0.053 0.000 1.027 42 F HN 0.460 nan 8.300 nan 0.000 0.497 43 E N 0.167 120.420 120.200 0.090 0.000 2.047 43 E HA -0.250 4.102 4.350 0.002 0.000 0.191 43 E C 2.106 178.688 176.600 -0.029 0.000 0.987 43 E CA 1.295 57.715 56.400 0.033 0.000 0.799 43 E CB -0.316 29.381 29.700 -0.006 0.000 0.752 43 E HN 0.503 nan 8.360 nan 0.000 0.449 44 E N 1.187 121.299 120.200 -0.146 0.000 2.085 44 E HA -0.208 4.143 4.350 0.002 0.000 0.194 44 E C 2.193 178.541 176.600 -0.421 0.000 0.994 44 E CA 0.803 56.987 56.400 -0.359 0.000 0.801 44 E CB -0.045 29.389 29.700 -0.443 0.000 0.743 44 E HN 0.187 nan 8.360 nan 0.000 0.453 45 L N 0.902 122.016 121.223 -0.181 0.000 2.042 45 L HA -0.213 4.128 4.340 0.002 0.000 0.210 45 L C 2.408 179.350 176.870 0.119 0.000 1.076 45 L CA 1.037 55.883 54.840 0.009 0.000 0.749 45 L CB -0.569 41.513 42.059 0.038 0.000 0.893 45 L HN 0.204 nan 8.230 nan 0.000 0.432 46 N N -0.087 118.680 118.700 0.111 0.000 2.120 46 N HA -0.215 4.526 4.740 0.002 0.000 0.188 46 N C 1.714 177.351 175.510 0.212 0.000 1.024 46 N CA 1.265 54.415 53.050 0.166 0.000 0.852 46 N CB -0.438 38.127 38.487 0.129 0.000 1.003 46 N HN 0.201 nan 8.380 nan 0.000 0.424 47 F N 1.099 121.056 119.950 0.011 0.000 2.126 47 F HA -0.176 4.353 4.527 0.002 0.000 0.299 47 F C 1.879 177.785 175.800 0.178 0.000 1.096 47 F CA 1.241 59.256 58.000 0.026 0.000 1.255 47 F CB -0.335 38.604 39.000 -0.102 0.000 0.997 47 F HN -0.122 nan 8.300 nan 0.000 0.479 48 F N -0.519 119.500 119.950 0.115 0.000 2.134 48 F HA -0.151 4.377 4.527 0.002 0.000 0.299 48 F C 2.337 178.111 175.800 -0.043 0.000 1.097 48 F CA 1.002 59.021 58.000 0.031 0.000 1.264 48 F CB -1.784 37.270 39.000 0.091 0.000 1.001 48 F HN 0.099 nan 8.300 nan 0.000 0.479 49 F N 1.146 121.163 119.950 0.111 0.000 2.171 49 F HA -0.206 4.322 4.527 0.002 0.000 0.300 49 F C 2.314 178.092 175.800 -0.036 0.000 1.090 49 F CA 1.551 59.562 58.000 0.018 0.000 1.293 49 F CB -0.551 38.459 39.000 0.016 0.000 1.013 49 F HN 0.008 nan 8.300 nan 0.000 0.486 50 Q N 0.022 119.791 119.800 -0.052 0.000 2.050 50 Q HA -0.187 4.154 4.340 0.002 0.000 0.202 50 Q C 2.170 178.010 176.000 -0.267 0.000 0.980 50 Q CA 1.369 57.073 55.803 -0.165 0.000 0.840 50 Q CB -0.243 28.453 28.738 -0.071 0.000 0.898 50 Q HN 0.245 nan 8.270 nan 0.000 0.424 51 K N 0.629 120.848 120.400 -0.302 0.000 2.097 51 K HA -0.083 4.239 4.320 0.002 0.000 0.206 51 K C 2.030 178.526 176.600 -0.174 0.000 1.049 51 K CA 1.182 57.321 56.287 -0.247 0.000 0.933 51 K CB -0.419 31.919 32.500 -0.269 0.000 0.717 51 K HN 0.188 nan 8.250 nan 0.000 0.442 52 A N 1.811 124.515 122.820 -0.193 0.000 1.845 52 A HA -0.152 4.169 4.320 0.002 0.000 0.215 52 A C 2.156 179.636 177.584 -0.174 0.000 1.195 52 A CA 1.306 53.250 52.037 -0.156 0.000 0.616 52 A CB -0.463 18.422 19.000 -0.192 0.000 0.832 52 A HN 0.111 nan 8.150 nan 0.000 0.443 53 I N 0.203 120.494 120.570 -0.465 0.000 2.286 53 I HA -0.205 3.966 4.170 0.002 0.000 0.248 53 I C 2.261 178.263 176.117 -0.192 0.000 1.115 53 I CA 1.524 62.530 61.300 -0.489 0.000 1.392 53 I CB -1.568 36.030 38.000 -0.670 0.000 1.065 53 I HN 0.477 nan 8.210 nan 0.000 0.418 54 E N 0.280 120.387 120.200 -0.155 0.000 2.265 54 E HA -0.120 4.231 4.350 0.002 0.000 0.196 54 E C 1.535 178.135 176.600 0.001 0.000 0.996 54 E CA 0.751 57.108 56.400 -0.071 0.000 0.832 54 E CB -0.209 29.439 29.700 -0.086 0.000 0.756 54 E HN 0.480 nan 8.360 nan 0.000 0.491 55 G N 0.267 109.089 108.800 0.037 0.000 3.581 55 G HA2 0.254 4.215 3.960 0.002 0.000 0.255 55 G HA3 0.254 4.215 3.960 0.002 0.000 0.255 55 G C -0.579 174.411 174.900 0.149 0.000 1.121 55 G CA -0.135 44.990 45.100 0.043 0.000 1.739 55 G HN -0.065 nan 8.290 nan 0.000 0.646 69 M N 1.557 121.158 119.600 0.001 0.000 2.242 69 M HA 0.350 4.831 4.480 0.002 0.000 0.344 69 M C -0.146 176.316 176.300 0.271 0.000 1.140 69 M CA 0.660 55.984 55.300 0.041 0.000 1.160 69 M CB 0.671 33.127 32.600 -0.240 0.000 1.491 69 M HN 0.210 nan 8.290 nan 0.000 0.459 70 E N 1.890 122.267 120.200 0.295 0.000 2.340 70 E HA 0.465 4.816 4.350 0.002 0.000 0.273 70 E C -2.640 174.131 176.600 0.285 0.000 0.891 70 E CA -2.096 54.455 56.400 0.252 0.000 0.757 70 E CB 1.918 31.676 29.700 0.095 0.000 1.231 70 E HN 0.289 nan 8.360 nan 0.000 0.439 71 P HA -0.028 nan 4.420 nan 0.000 0.271 71 P C -0.512 176.878 177.300 0.149 0.000 1.233 71 P CA -0.456 62.684 63.100 0.065 0.000 0.789 71 P CB 0.408 32.029 31.700 -0.131 0.000 0.951 72 V N -0.912 119.128 119.914 0.211 0.000 2.775 72 V HA 0.374 4.495 4.120 0.002 0.000 0.299 72 V C -2.027 174.188 176.094 0.201 0.000 1.062 72 V CA -1.729 60.760 62.300 0.316 0.000 1.063 72 V CB -0.293 31.749 31.823 0.365 0.000 0.994 72 V HN 0.462 nan 8.190 nan 0.000 0.483 73 P HA 0.269 nan 4.420 nan 0.000 0.271 73 P C 0.767 178.134 177.300 0.110 0.000 1.218 73 P CA 0.216 63.399 63.100 0.138 0.000 0.780 73 P CB 0.838 32.628 31.700 0.150 0.000 0.901 74 R N 2.501 123.045 120.500 0.075 0.000 2.159 74 R HA -0.177 4.164 4.340 0.002 0.000 0.237 74 R C 1.864 178.209 176.300 0.076 0.000 1.131 74 R CA 2.081 58.219 56.100 0.063 0.000 0.982 74 R CB -1.812 28.516 30.300 0.048 0.000 0.868 74 R HN 0.569 nan 8.270 nan 0.000 0.453 75 E N 0.277 120.525 120.200 0.079 0.000 2.265 75 E HA -0.099 4.252 4.350 0.002 0.000 0.196 75 E C 1.856 178.498 176.600 0.069 0.000 0.996 75 E CA 1.582 58.027 56.400 0.075 0.000 0.832 75 E CB 0.107 29.849 29.700 0.071 0.000 0.756 75 E HN 0.619 nan 8.360 nan 0.000 0.491 76 V N -1.859 118.096 119.914 0.068 0.000 3.578 76 V HA 0.322 4.444 4.120 0.002 0.000 0.290 76 V C 0.301 176.423 176.094 0.046 0.000 1.376 76 V CA -0.435 61.874 62.300 0.014 0.000 1.083 76 V CB -0.182 31.600 31.823 -0.068 0.000 0.911 76 V HN 0.080 nan 8.190 nan 0.000 0.433 77 L N 2.302 123.576 121.223 0.085 0.000 2.298 77 L HA 0.916 5.257 4.340 0.002 0.000 0.284 77 L C 0.504 177.424 176.870 0.084 0.000 1.013 77 L CA -0.140 54.739 54.840 0.064 0.000 0.824 77 L CB 0.913 42.985 42.059 0.021 0.000 1.221 77 L HN 0.266 nan 8.230 nan 0.000 0.418 78 G N 2.111 110.907 108.800 -0.006 0.000 2.412 78 G HA2 0.501 4.463 3.960 0.002 0.000 0.318 78 G HA3 0.501 4.463 3.960 0.002 0.000 0.318 78 G C -1.213 173.505 174.900 -0.304 0.000 1.146 78 G CA -0.414 44.612 45.100 -0.124 0.000 0.882 78 G HN 0.521 nan 8.290 nan 0.000 0.501 79 S N -0.117 115.500 115.700 -0.137 0.000 2.594 79 S HA 0.530 5.001 4.470 0.002 0.000 0.296 79 S C 1.108 175.616 174.600 -0.154 0.000 1.124 79 S CA 0.182 58.231 58.200 -0.252 0.000 1.011 79 S CB 1.464 64.595 63.200 -0.116 0.000 1.016 79 S HN 1.142 nan 8.310 nan 0.000 0.485 80 A N 4.028 126.635 122.820 -0.355 0.000 1.972 80 A HA 0.015 4.336 4.320 0.002 0.000 0.219 80 A C 1.901 179.469 177.584 -0.026 0.000 1.169 80 A CA 2.313 54.286 52.037 -0.106 0.000 0.635 80 A CB -1.106 17.797 19.000 -0.161 0.000 0.810 80 A HN 0.792 nan 8.150 nan 0.000 0.446 81 T N -0.643 113.871 114.554 -0.067 0.000 2.739 81 T HA -0.036 4.315 4.350 0.002 0.000 0.249 81 T C 2.082 176.772 174.700 -0.016 0.000 1.050 81 T CA 1.144 63.224 62.100 -0.033 0.000 1.165 81 T CB -0.228 68.615 68.868 -0.042 0.000 0.872 81 T HN 0.468 nan 8.240 nan 0.000 0.411 82 R N 1.346 121.835 120.500 -0.018 0.000 2.105 82 R HA -0.047 4.294 4.340 0.002 0.000 0.239 82 R C 0.637 176.948 176.300 0.018 0.000 1.135 82 R CA 1.204 57.304 56.100 -0.001 0.000 0.967 82 R CB -0.136 30.164 30.300 0.001 0.000 0.861 82 R HN 0.361 nan 8.270 nan 0.000 0.442 83 D N 0.452 120.883 120.400 0.052 0.000 2.889 83 D HA -0.030 4.611 4.640 0.002 0.000 0.243 83 D C 0.886 177.165 176.300 -0.035 0.000 1.270 83 D CA 0.101 54.134 54.000 0.056 0.000 0.838 83 D CB 0.608 41.561 40.800 0.255 0.000 1.040 83 D HN 0.288 nan 8.370 nan 0.000 0.480 84 Q N 1.082 120.864 119.800 -0.030 0.000 2.181 84 Q HA -0.196 4.146 4.340 0.002 0.000 0.205 84 Q C 0.852 176.783 176.000 -0.115 0.000 0.980 84 Q CA 1.584 57.358 55.803 -0.048 0.000 0.862 84 Q CB 0.251 28.973 28.738 -0.026 0.000 0.905 84 Q HN 0.222 nan 8.270 nan 0.000 0.429 85 D N -0.449 119.874 120.400 -0.129 0.000 2.309 85 D HA -0.194 4.448 4.640 0.002 0.000 0.212 85 D C 1.214 177.352 176.300 -0.269 0.000 0.968 85 D CA 1.022 54.929 54.000 -0.155 0.000 0.882 85 D CB -0.178 40.553 40.800 -0.115 0.000 0.918 85 D HN 0.353 nan 8.370 nan 0.000 0.503 86 Q N -0.628 118.896 119.800 -0.460 0.000 2.247 86 Q HA 0.262 4.603 4.340 0.002 0.000 0.211 86 Q C 1.891 177.321 176.000 -0.950 0.000 0.861 86 Q CA -0.262 55.029 55.803 -0.854 0.000 0.949 86 Q CB 0.423 28.336 28.738 -1.375 0.000 1.115 86 Q HN 0.333 nan 8.270 nan 0.000 0.507 87 L N 0.490 121.444 121.223 -0.449 0.000 2.012 87 L HA -0.281 4.060 4.340 0.002 0.000 0.210 87 L C 2.503 179.352 176.870 -0.036 0.000 1.073 87 L CA 1.488 56.277 54.840 -0.086 0.000 0.748 87 L CB -0.316 41.774 42.059 0.051 0.000 0.891 87 L HN 0.269 nan 8.230 nan 0.000 0.431 88 Q N 0.148 119.890 119.800 -0.098 0.000 2.061 88 Q HA -0.218 4.123 4.340 0.002 0.000 0.204 88 Q C 2.166 178.138 176.000 -0.046 0.000 0.984 88 Q CA 2.311 58.081 55.803 -0.055 0.000 0.846 88 Q CB -0.294 28.394 28.738 -0.083 0.000 0.902 88 Q HN 0.451 nan 8.270 nan 0.000 0.421 89 A N -0.515 122.221 122.820 -0.139 0.000 1.902 89 A HA -0.163 4.159 4.320 0.002 0.000 0.217 89 A C 1.814 179.448 177.584 0.084 0.000 1.181 89 A CA 1.490 53.475 52.037 -0.088 0.000 0.623 89 A CB -1.183 17.702 19.000 -0.191 0.000 0.818 89 A HN 0.646 nan 8.150 nan 0.000 0.443 90 W N -0.037 121.289 121.300 0.043 0.000 2.388 90 W HA -0.064 4.597 4.660 0.002 0.000 0.294 90 W C 2.206 178.749 176.519 0.040 0.000 1.212 90 W CA 0.876 58.245 57.345 0.039 0.000 1.271 90 W CB -1.084 28.418 29.460 0.070 0.000 1.126 90 W HN 0.649 nan 8.180 nan 0.000 0.535 91 E N 0.289 120.649 120.200 0.267 0.000 2.077 91 E HA -0.166 4.185 4.350 0.002 0.000 0.193 91 E C 2.193 178.899 176.600 0.177 0.000 0.989 91 E CA 1.992 58.507 56.400 0.191 0.000 0.800 91 E CB -0.106 29.687 29.700 0.154 0.000 0.746 91 E HN -0.056 nan 8.360 nan 0.000 0.452 92 S N 0.527 116.321 115.700 0.157 0.000 2.370 92 S HA -0.215 4.256 4.470 0.002 0.000 0.226 92 S C 1.818 176.556 174.600 0.231 0.000 1.033 92 S CA 1.459 59.767 58.200 0.179 0.000 1.011 92 S CB -0.319 62.937 63.200 0.093 0.000 0.852 92 S HN 0.303 nan 8.310 nan 0.000 0.457 93 E N 1.260 121.575 120.200 0.191 0.000 2.051 93 E HA -0.075 4.276 4.350 0.002 0.000 0.192 93 E C 2.096 178.820 176.600 0.206 0.000 0.991 93 E CA 1.544 58.066 56.400 0.204 0.000 0.799 93 E CB -0.944 28.851 29.700 0.159 0.000 0.748 93 E HN 0.401 nan 8.360 nan 0.000 0.449 94 G N 0.594 109.485 108.800 0.153 0.000 2.421 94 G HA2 -0.234 3.727 3.960 0.002 0.000 0.216 94 G HA3 -0.234 3.727 3.960 0.002 0.000 0.216 94 G C 1.631 176.588 174.900 0.094 0.000 1.171 94 G CA 0.917 46.077 45.100 0.101 0.000 0.775 94 G HN 0.306 nan 8.290 nan 0.000 0.543 95 L N -0.747 120.563 121.223 0.144 0.000 2.083 95 L HA -0.000 4.341 4.340 0.002 0.000 0.209 95 L C 2.549 179.441 176.870 0.036 0.000 1.083 95 L CA 0.845 55.774 54.840 0.148 0.000 0.752 95 L CB -0.371 41.878 42.059 0.317 0.000 0.899 95 L HN 0.247 nan 8.230 nan 0.000 0.433 96 F N 0.790 120.678 119.950 -0.104 0.000 2.102 96 F HA -0.241 4.287 4.527 0.002 0.000 0.298 96 F C 2.701 178.342 175.800 -0.264 0.000 1.105 96 F CA 1.537 59.300 58.000 -0.395 0.000 1.239 96 F CB -0.311 38.603 39.000 -0.144 0.000 0.991 96 F HN 0.040 nan 8.300 nan 0.000 0.474 97 Q N 0.590 120.256 119.800 -0.224 0.000 2.135 97 Q HA -0.193 4.149 4.340 0.002 0.000 0.204 97 Q C 2.555 178.417 176.000 -0.230 0.000 0.981 97 Q CA 2.044 57.695 55.803 -0.254 0.000 0.856 97 Q CB -0.710 28.027 28.738 -0.002 0.000 0.902 97 Q HN 0.539 nan 8.270 nan 0.000 0.425 98 I N 0.983 121.464 120.570 -0.149 0.000 2.179 98 I HA -0.265 3.907 4.170 0.002 0.000 0.242 98 I C 2.420 178.439 176.117 -0.164 0.000 1.088 98 I CA 1.443 62.681 61.300 -0.103 0.000 1.357 98 I CB -0.369 37.599 38.000 -0.053 0.000 1.051 98 I HN 0.189 nan 8.210 nan 0.000 0.409 99 S N 0.002 115.536 115.700 -0.277 0.000 2.442 99 S HA -0.163 4.308 4.470 0.002 0.000 0.236 99 S C 1.737 176.154 174.600 -0.305 0.000 1.007 99 S CA 0.750 58.778 58.200 -0.286 0.000 0.965 99 S CB -0.222 62.685 63.200 -0.489 0.000 0.773 99 S HN 0.440 nan 8.310 nan 0.000 0.504 100 Q N 0.996 120.542 119.800 -0.423 0.000 2.360 100 Q HA 0.203 4.545 4.340 0.002 0.000 0.202 100 Q C -0.174 175.716 176.000 -0.183 0.000 0.915 100 Q CA -0.049 55.540 55.803 -0.357 0.000 0.943 100 Q CB -0.224 28.186 28.738 -0.547 0.000 1.064 100 Q HN 0.588 nan 8.270 nan 0.000 0.511 101 N N 0.730 119.352 118.700 -0.129 0.000 2.741 101 N HA -0.143 4.598 4.740 0.002 0.000 0.250 101 N C -0.019 175.484 175.510 -0.011 0.000 1.115 101 N CA 0.639 53.660 53.050 -0.048 0.000 0.724 101 N CB -0.612 37.857 38.487 -0.029 0.000 1.090 101 N HN 0.243 nan 8.380 nan 0.000 0.558 102 K N -0.145 120.241 120.400 -0.024 0.000 2.397 102 K HA 0.266 4.587 4.320 0.002 0.000 0.202 102 K C 0.291 176.962 176.600 0.119 0.000 1.022 102 K CA 0.144 56.467 56.287 0.061 0.000 1.141 102 K CB 1.030 33.557 32.500 0.046 0.000 0.857 102 K HN 0.046 nan 8.250 nan 0.000 0.514 103 V N 0.974 120.940 119.914 0.087 0.000 2.540 103 V HA 0.661 4.782 4.120 0.002 0.000 0.302 103 V C -0.380 175.798 176.094 0.139 0.000 1.035 103 V CA -1.081 61.289 62.300 0.116 0.000 0.873 103 V CB 1.716 33.598 31.823 0.099 0.000 0.992 103 V HN 0.196 nan 8.190 nan 0.000 0.428 104 A N 3.857 126.784 122.820 0.178 0.000 2.479 104 A HA 0.997 5.318 4.320 0.002 0.000 0.296 104 A C -0.723 177.039 177.584 0.297 0.000 1.121 104 A CA -0.585 51.606 52.037 0.256 0.000 0.743 104 A CB 2.226 21.443 19.000 0.362 0.000 1.323 104 A HN 1.474 nan 8.150 nan 0.000 0.415 105 V N -1.084 119.050 119.914 0.368 0.000 2.864 105 V HA 0.875 4.996 4.120 0.002 0.000 0.314 105 V C -0.669 175.737 176.094 0.521 0.000 1.073 105 V CA -0.799 61.749 62.300 0.413 0.000 0.956 105 V CB 1.570 33.615 31.823 0.370 0.000 1.023 105 V HN 1.044 nan 8.190 nan 0.000 0.435 106 L N 3.757 125.234 121.223 0.424 0.000 2.404 106 L HA 0.632 4.973 4.340 0.002 0.000 0.272 106 L C -1.245 175.699 176.870 0.123 0.000 0.980 106 L CA -0.770 54.291 54.840 0.368 0.000 0.836 106 L CB 1.613 43.845 42.059 0.289 0.000 1.238 106 L HN 0.869 nan 8.230 nan 0.000 0.408 107 L N 5.813 127.079 121.223 0.070 0.000 2.276 107 L HA 0.473 4.814 4.340 0.002 0.000 0.286 107 L C -0.990 175.783 176.870 -0.162 0.000 1.061 107 L CA 0.058 54.719 54.840 -0.297 0.000 0.807 107 L CB 1.252 43.292 42.059 -0.033 0.000 1.177 107 L HN 0.530 nan 8.230 nan 0.000 0.429 108 L N 6.645 127.739 121.223 -0.214 0.000 2.268 108 L HA 0.547 4.888 4.340 0.002 0.000 0.289 108 L C 0.552 177.373 176.870 -0.081 0.000 1.064 108 L CA -0.064 54.706 54.840 -0.117 0.000 0.824 108 L CB 0.804 42.813 42.059 -0.083 0.000 1.202 108 L HN 0.864 nan 8.230 nan 0.000 0.433 109 A N 2.220 125.008 122.820 -0.053 0.000 2.795 109 A HA 0.485 4.806 4.320 0.002 0.000 0.282 109 A C 1.153 178.735 177.584 -0.004 0.000 0.964 109 A CA 0.035 52.082 52.037 0.016 0.000 1.045 109 A CB 0.220 19.314 19.000 0.157 0.000 1.174 109 A HN 0.764 nan 8.150 nan 0.000 0.493 110 G N -0.285 108.487 108.800 -0.047 0.000 2.986 110 G HA2 0.368 4.329 3.960 0.002 0.000 0.213 110 G HA3 0.368 4.329 3.960 0.002 0.000 0.213 110 G C 0.830 175.716 174.900 -0.023 0.000 1.156 110 G CA 0.536 45.607 45.100 -0.049 0.000 0.763 110 G HN 0.802 nan 8.290 nan 0.000 0.547 111 G N 0.408 109.197 108.800 -0.018 0.000 2.313 111 G HA2 0.424 4.386 3.960 0.002 0.000 0.250 111 G HA3 0.424 4.386 3.960 0.002 0.000 0.250 111 G C 0.268 175.163 174.900 -0.009 0.000 1.281 111 G CA 0.095 45.189 45.100 -0.010 0.000 0.917 111 G HN 0.595 nan 8.290 nan 0.000 0.501 112 Q N 1.741 121.538 119.800 -0.005 0.000 3.138 112 Q HA 0.650 4.992 4.340 0.002 0.000 0.205 112 Q C 0.878 176.870 176.000 -0.013 0.000 1.131 112 Q CA -0.491 55.307 55.803 -0.008 0.000 0.558 112 Q CB 0.026 28.763 28.738 -0.001 0.000 4.484 112 Q HN 1.351 nan 8.270 nan 0.000 0.324 113 G N 1.397 110.190 108.800 -0.012 0.000 2.290 113 G HA2 -0.213 3.748 3.960 0.002 0.000 0.270 113 G HA3 -0.213 3.748 3.960 0.002 0.000 0.270 113 G C -0.416 174.466 174.900 -0.030 0.000 0.891 113 G CA 0.517 45.609 45.100 -0.013 0.000 1.321 113 G HN 0.501 nan 8.290 nan 0.000 0.425 114 T N 1.123 115.645 114.554 -0.052 0.000 2.765 114 T HA 0.155 4.507 4.350 0.002 0.000 0.284 114 T C 1.684 176.345 174.700 -0.065 0.000 0.946 114 T CA 0.340 62.393 62.100 -0.078 0.000 1.185 114 T CB 0.965 69.755 68.868 -0.129 0.000 0.887 114 T HN 0.657 nan 8.240 nan 0.000 0.532 115 R N 3.328 123.790 120.500 -0.063 0.000 2.275 115 R HA 0.142 4.483 4.340 0.002 0.000 0.199 115 R C 1.432 177.689 176.300 -0.070 0.000 0.989 115 R CA 0.525 56.593 56.100 -0.053 0.000 1.016 115 R CB -0.068 30.205 30.300 -0.045 0.000 0.918 115 R HN 0.614 nan 8.270 nan 0.000 0.473 116 L N -0.089 121.075 121.223 -0.099 0.000 2.610 116 L HA 0.189 4.530 4.340 0.002 0.000 0.232 116 L C 1.093 177.931 176.870 -0.053 0.000 1.149 116 L CA 0.675 55.448 54.840 -0.110 0.000 0.872 116 L CB 0.084 42.029 42.059 -0.192 0.000 0.992 116 L HN 0.540 nan 8.230 nan 0.000 0.447 117 G N 0.711 109.475 108.800 -0.059 0.000 2.136 117 G HA2 -0.237 3.724 3.960 0.002 0.000 0.242 117 G HA3 -0.237 3.724 3.960 0.002 0.000 0.242 117 G C 0.169 175.027 174.900 -0.070 0.000 0.989 117 G CA 0.229 45.303 45.100 -0.044 0.000 0.682 117 G HN 0.288 nan 8.290 nan 0.000 0.522 118 V N -4.135 115.686 119.914 -0.155 0.000 3.113 118 V HA 0.977 5.099 4.120 0.002 0.000 0.316 118 V C 0.893 176.805 176.094 -0.303 0.000 1.125 118 V CA -0.072 62.047 62.300 -0.302 0.000 1.026 118 V CB 1.566 32.950 31.823 -0.731 0.000 1.080 118 V HN 1.295 nan 8.190 nan 0.000 0.444 119 A N 0.414 123.071 122.820 -0.271 0.000 2.252 119 A HA 0.460 4.782 4.320 0.002 0.000 0.213 119 A C 0.644 178.195 177.584 -0.055 0.000 1.188 119 A CA 0.249 52.221 52.037 -0.109 0.000 0.863 119 A CB -0.464 18.537 19.000 0.001 0.000 0.893 119 A HN 1.194 nan 8.150 nan 0.000 0.495 120 Y N -0.706 119.604 120.300 0.017 0.000 2.392 120 Y HA 0.695 5.247 4.550 0.002 0.000 0.323 120 Y C -2.546 173.357 175.900 0.006 0.000 1.291 120 Y CA -3.988 54.117 58.100 0.008 0.000 1.345 120 Y CB -0.298 38.156 38.460 -0.010 0.000 1.320 120 Y HN -0.094 nan 8.280 nan 0.000 0.518 121 P HA 0.097 nan 4.420 nan 0.000 0.272 121 P C -0.257 177.099 177.300 0.094 0.000 1.223 121 P CA -0.312 62.854 63.100 0.110 0.000 0.784 121 P CB 1.403 33.184 31.700 0.134 0.000 0.923 122 K N 1.594 121.985 120.400 -0.015 0.000 2.113 122 K HA -0.143 4.178 4.320 0.002 0.000 0.208 122 K C 2.193 178.679 176.600 -0.190 0.000 1.047 122 K CA 1.951 58.206 56.287 -0.054 0.000 0.928 122 K CB -0.914 31.521 32.500 -0.108 0.000 0.716 122 K HN 0.668 nan 8.250 nan 0.000 0.446 123 G N 0.894 109.384 108.800 -0.516 0.000 2.499 123 G HA2 -0.245 3.717 3.960 0.002 0.000 0.221 123 G HA3 -0.245 3.717 3.960 0.002 0.000 0.221 123 G C 1.268 175.616 174.900 -0.920 0.000 1.109 123 G CA 0.706 44.998 45.100 -1.347 0.000 0.749 123 G HN 0.239 nan 8.290 nan 0.000 0.568 124 M N -0.818 118.523 119.600 -0.431 0.000 2.495 124 M HA 0.287 4.768 4.480 0.002 0.000 0.237 124 M C 0.164 176.372 176.300 -0.153 0.000 1.131 124 M CA -0.375 54.668 55.300 -0.427 0.000 1.032 124 M CB 0.374 32.603 32.600 -0.618 0.000 1.513 124 M HN 0.164 nan 8.290 nan 0.000 0.488 125 Y N 1.540 121.803 120.300 -0.062 0.000 2.346 125 Y HA 0.055 4.607 4.550 0.002 0.000 0.330 125 Y C 0.126 176.019 175.900 -0.012 0.000 1.178 125 Y CA -0.179 57.957 58.100 0.061 0.000 1.331 125 Y CB 0.524 39.008 38.460 0.039 0.000 1.253 125 Y HN -0.016 nan 8.280 nan 0.000 0.529 126 D N 4.923 125.222 120.400 -0.170 0.000 2.427 126 D HA 0.101 4.743 4.640 0.002 0.000 0.226 126 D C 0.510 176.864 176.300 0.090 0.000 1.076 126 D CA -0.399 53.575 54.000 -0.044 0.000 0.849 126 D CB 1.006 41.734 40.800 -0.120 0.000 1.052 126 D HN 0.449 nan 8.370 nan 0.000 0.515 127 V N 1.992 122.024 119.914 0.196 0.000 3.510 127 V HA 0.312 4.433 4.120 0.002 0.000 0.270 127 V C 1.305 177.444 176.094 0.074 0.000 1.201 127 V CA 0.629 63.047 62.300 0.198 0.000 1.166 127 V CB -0.790 31.080 31.823 0.078 0.000 0.825 127 V HN 0.776 nan 8.190 nan 0.000 0.484 128 G N -0.007 108.808 108.800 0.024 0.000 2.141 128 G HA2 -0.181 3.780 3.960 0.002 0.000 0.195 128 G HA3 -0.181 3.780 3.960 0.002 0.000 0.195 128 G C -0.194 174.673 174.900 -0.055 0.000 1.012 128 G CA 0.069 45.160 45.100 -0.015 0.000 0.696 128 G HN 0.540 nan 8.290 nan 0.000 0.508 129 L N -0.394 120.798 121.223 -0.052 0.000 2.464 129 L HA 0.221 4.563 4.340 0.002 0.000 0.264 129 L C -0.276 176.566 176.870 -0.048 0.000 1.199 129 L CA -1.629 53.166 54.840 -0.074 0.000 0.818 129 L CB 0.678 42.699 42.059 -0.064 0.000 1.102 129 L HN -0.076 nan 8.230 nan 0.000 0.473 130 P HA -0.183 nan 4.420 nan 0.000 0.216 130 P C 1.417 178.718 177.300 0.001 0.000 1.150 130 P CA 1.386 64.475 63.100 -0.019 0.000 0.843 130 P CB 0.162 31.857 31.700 -0.008 0.000 0.787 131 S N -1.407 114.298 115.700 0.009 0.000 2.522 131 S HA -0.010 4.461 4.470 0.002 0.000 0.227 131 S C 1.046 175.660 174.600 0.024 0.000 0.986 131 S CA 0.118 58.333 58.200 0.025 0.000 0.929 131 S CB -0.823 62.401 63.200 0.039 0.000 0.769 131 S HN 0.058 nan 8.310 nan 0.000 0.529 132 R N 0.143 120.649 120.500 0.010 0.000 4.000 132 R HA -0.139 4.202 4.340 0.002 0.000 0.362 132 R C -0.608 175.710 176.300 0.030 0.000 1.183 132 R CA 1.128 57.236 56.100 0.013 0.000 1.011 132 R CB -2.185 28.125 30.300 0.016 0.000 1.501 132 R HN 0.517 nan 8.270 nan 0.000 0.553 133 K N 1.717 122.137 120.400 0.033 0.000 2.414 133 K HA 0.057 4.378 4.320 0.002 0.000 0.272 133 K C 1.121 177.739 176.600 0.031 0.000 0.993 133 K CA 0.855 57.167 56.287 0.042 0.000 0.964 133 K CB 0.462 32.981 32.500 0.031 0.000 0.925 133 K HN 0.177 nan 8.250 nan 0.000 0.487 134 T N -0.854 113.728 114.554 0.046 0.000 2.816 134 T HA 0.180 4.532 4.350 0.002 0.000 0.282 134 T C 1.596 176.288 174.700 -0.013 0.000 0.993 134 T CA -0.780 61.338 62.100 0.030 0.000 0.994 134 T CB 0.508 69.422 68.868 0.076 0.000 1.025 134 T HN 0.451 nan 8.240 nan 0.000 0.529 135 L N -0.499 120.695 121.223 -0.048 0.000 2.042 135 L HA -0.038 4.303 4.340 0.002 0.000 0.210 135 L C 2.591 179.468 176.870 0.011 0.000 1.076 135 L CA 1.606 56.415 54.840 -0.053 0.000 0.749 135 L CB -0.756 41.233 42.059 -0.116 0.000 0.893 135 L HN 0.675 nan 8.230 nan 0.000 0.432 136 F N 0.109 120.060 119.950 0.002 0.000 2.095 136 F HA -0.337 4.191 4.527 0.002 0.000 0.298 136 F C 2.961 178.518 175.800 -0.404 0.000 1.104 136 F CA 1.585 59.569 58.000 -0.027 0.000 1.232 136 F CB -0.178 38.792 39.000 -0.051 0.000 0.987 136 F HN 0.165 nan 8.300 nan 0.000 0.475 137 Q N 0.845 120.361 119.800 -0.474 0.000 2.079 137 Q HA -0.192 4.149 4.340 0.002 0.000 0.200 137 Q C 2.163 178.022 176.000 -0.236 0.000 0.974 137 Q CA 1.550 56.913 55.803 -0.735 0.000 0.840 137 Q CB -0.179 28.326 28.738 -0.388 0.000 0.898 137 Q HN 0.481 nan 8.270 nan 0.000 0.430 138 I N 0.595 121.108 120.570 -0.094 0.000 2.264 138 I HA -0.325 3.846 4.170 0.002 0.000 0.248 138 I C 2.408 178.512 176.117 -0.022 0.000 1.111 138 I CA 1.378 62.662 61.300 -0.027 0.000 1.382 138 I CB -0.219 37.775 38.000 -0.010 0.000 1.060 138 I HN 0.352 nan 8.210 nan 0.000 0.418 139 Q N 0.444 120.249 119.800 0.007 0.000 2.079 139 Q HA -0.171 4.170 4.340 0.002 0.000 0.200 139 Q C 2.488 178.363 176.000 -0.208 0.000 0.974 139 Q CA 1.743 57.533 55.803 -0.022 0.000 0.840 139 Q CB -0.282 28.593 28.738 0.228 0.000 0.898 139 Q HN 0.577 nan 8.270 nan 0.000 0.430 140 A N 1.321 124.039 122.820 -0.170 0.000 1.908 140 A HA -0.250 4.071 4.320 0.002 0.000 0.218 140 A C 1.795 179.357 177.584 -0.038 0.000 1.181 140 A CA 1.655 53.605 52.037 -0.144 0.000 0.627 140 A CB -0.429 18.648 19.000 0.128 0.000 0.818 140 A HN 0.352 nan 8.150 nan 0.000 0.445 141 E N -0.712 119.488 120.200 -0.000 0.000 2.208 141 E HA -0.133 4.219 4.350 0.002 0.000 0.193 141 E C 2.256 178.895 176.600 0.065 0.000 0.988 141 E CA 0.732 57.164 56.400 0.055 0.000 0.828 141 E CB -0.122 29.618 29.700 0.066 0.000 0.763 141 E HN 0.551 nan 8.360 nan 0.000 0.478 142 R N 0.412 120.941 120.500 0.048 0.000 2.090 142 R HA -0.035 4.307 4.340 0.002 0.000 0.228 142 R C 2.337 178.710 176.300 0.121 0.000 1.110 142 R CA 0.839 57.037 56.100 0.163 0.000 0.973 142 R CB -0.157 30.231 30.300 0.146 0.000 0.869 142 R HN 0.171 nan 8.270 nan 0.000 0.440 143 I N 0.834 121.385 120.570 -0.031 0.000 2.142 143 I HA -0.302 3.869 4.170 0.002 0.000 0.240 143 I C 2.213 178.324 176.117 -0.011 0.000 1.078 143 I CA 1.349 62.606 61.300 -0.072 0.000 1.343 143 I CB -0.277 37.590 38.000 -0.222 0.000 1.046 143 I HN 0.139 nan 8.210 nan 0.000 0.405 144 L N 0.575 121.811 121.223 0.021 0.000 2.042 144 L HA -0.264 4.077 4.340 0.002 0.000 0.210 144 L C 2.633 179.525 176.870 0.036 0.000 1.076 144 L CA 1.336 56.205 54.840 0.049 0.000 0.749 144 L CB -0.557 41.551 42.059 0.083 0.000 0.893 144 L HN 0.200 nan 8.230 nan 0.000 0.432 145 K N 0.823 121.255 120.400 0.053 0.000 2.032 145 K HA -0.181 4.140 4.320 0.002 0.000 0.209 145 K C 1.927 178.508 176.600 -0.032 0.000 1.048 145 K CA 1.755 58.069 56.287 0.046 0.000 0.927 145 K CB -0.541 32.044 32.500 0.143 0.000 0.712 145 K HN 0.188 nan 8.250 nan 0.000 0.441 146 L N 0.402 121.575 121.223 -0.083 0.000 2.083 146 L HA -0.191 4.150 4.340 0.002 0.000 0.209 146 L C 2.689 179.512 176.870 -0.079 0.000 1.083 146 L CA 1.393 56.136 54.840 -0.162 0.000 0.752 146 L CB -0.455 41.472 42.059 -0.219 0.000 0.899 146 L HN 0.346 nan 8.230 nan 0.000 0.433 147 Q N -0.384 119.393 119.800 -0.038 0.000 2.061 147 Q HA -0.287 4.055 4.340 0.002 0.000 0.204 147 Q C 2.311 178.302 176.000 -0.015 0.000 0.984 147 Q CA 1.783 57.578 55.803 -0.014 0.000 0.846 147 Q CB -0.093 28.650 28.738 0.009 0.000 0.902 147 Q HN 0.469 nan 8.270 nan 0.000 0.421 148 Q N -0.293 119.496 119.800 -0.019 0.000 2.050 148 Q HA -0.140 4.201 4.340 0.002 0.000 0.202 148 Q C 2.143 178.096 176.000 -0.078 0.000 0.980 148 Q CA 1.506 57.291 55.803 -0.030 0.000 0.840 148 Q CB -0.145 28.581 28.738 -0.018 0.000 0.898 148 Q HN 0.172 nan 8.270 nan 0.000 0.424 149 V N 0.583 120.430 119.914 -0.113 0.000 2.332 149 V HA -0.307 3.814 4.120 0.002 0.000 0.248 149 V C 2.125 178.111 176.094 -0.180 0.000 1.055 149 V CA 1.791 63.960 62.300 -0.218 0.000 1.038 149 V CB -1.080 30.620 31.823 -0.204 0.000 0.651 149 V HN 0.461 nan 8.190 nan 0.000 0.450 150 A N -0.635 122.167 122.820 -0.031 0.000 1.902 150 A HA -0.263 4.058 4.320 0.002 0.000 0.217 150 A C 2.306 179.996 177.584 0.177 0.000 1.181 150 A CA 1.874 53.987 52.037 0.128 0.000 0.623 150 A CB -0.506 18.529 19.000 0.058 0.000 0.818 150 A HN 0.599 nan 8.150 nan 0.000 0.443 151 E N -0.126 120.111 120.200 0.063 0.000 2.204 151 E HA -0.178 4.173 4.350 0.002 0.000 0.195 151 E C 1.740 178.373 176.600 0.054 0.000 0.990 151 E CA 1.107 57.549 56.400 0.071 0.000 0.821 151 E CB -0.055 29.663 29.700 0.031 0.000 0.750 151 E HN 0.587 nan 8.360 nan 0.000 0.477 152 K N -0.697 119.677 120.400 -0.044 0.000 2.296 152 K HA -0.062 4.260 4.320 0.002 0.000 0.200 152 K C 1.357 177.967 176.600 0.017 0.000 1.048 152 K CA 0.691 56.929 56.287 -0.082 0.000 0.966 152 K CB 0.151 32.512 32.500 -0.231 0.000 0.754 152 K HN 0.349 nan 8.250 nan 0.000 0.466 153 Y N -1.624 118.660 120.300 -0.026 0.000 2.457 153 Y HA 0.019 4.570 4.550 0.002 0.000 0.263 153 Y C 0.603 176.185 175.900 -0.531 0.000 1.164 153 Y CA -0.102 57.852 58.100 -0.243 0.000 1.274 153 Y CB 0.593 38.891 38.460 -0.269 0.000 1.097 153 Y HN 0.034 nan 8.280 nan 0.000 0.523 154 Y N -1.970 118.439 120.300 0.181 0.000 2.590 154 Y HA 0.311 4.863 4.550 0.002 0.000 0.263 154 Y C 1.732 177.685 175.900 0.089 0.000 1.069 154 Y CA 0.213 58.395 58.100 0.137 0.000 1.242 154 Y CB 1.180 39.727 38.460 0.145 0.000 1.357 154 Y HN 0.059 nan 8.280 nan 0.000 0.556 155 G N 1.302 110.207 108.800 0.175 0.000 2.304 155 G HA2 -0.392 3.570 3.960 0.002 0.000 0.252 155 G HA3 -0.392 3.570 3.960 0.002 0.000 0.252 155 G C 0.128 175.086 174.900 0.097 0.000 1.014 155 G CA 0.524 45.690 45.100 0.110 0.000 0.619 155 G HN 0.553 nan 8.290 nan 0.000 0.525 156 N N -0.063 118.708 118.700 0.120 0.000 2.487 156 N HA 0.588 5.329 4.740 0.002 0.000 0.292 156 N C -0.217 175.327 175.510 0.056 0.000 1.108 156 N CA -0.754 52.342 53.050 0.076 0.000 0.956 156 N CB 1.038 39.564 38.487 0.066 0.000 1.176 156 N HN 0.358 nan 8.380 nan 0.000 0.484 157 K N 0.596 121.017 120.400 0.037 0.000 2.298 157 K HA 0.322 4.643 4.320 0.002 0.000 0.280 157 K C -0.441 176.168 176.600 0.015 0.000 1.032 157 K CA -0.638 55.665 56.287 0.026 0.000 0.958 157 K CB 0.220 32.734 32.500 0.023 0.000 0.978 157 K HN 0.812 nan 8.250 nan 0.000 0.472 158 C N 1.204 120.510 119.300 0.009 0.000 3.080 158 C HA 0.709 5.170 4.460 0.002 0.000 0.307 158 C C -0.772 174.220 174.990 0.005 0.000 1.311 158 C CA -1.182 57.833 59.018 -0.005 0.000 1.533 158 C CB 0.632 28.355 27.740 -0.029 0.000 1.970 158 C HN 0.566 nan 8.230 nan 0.000 0.467 159 I N 1.529 122.102 120.570 0.005 0.000 2.569 159 I HA 0.515 4.686 4.170 0.002 0.000 0.296 159 I C -0.474 175.662 176.117 0.030 0.000 1.028 159 I CA -1.064 60.249 61.300 0.021 0.000 1.082 159 I CB 1.824 39.838 38.000 0.022 0.000 1.264 159 I HN 0.734 nan 8.210 nan 0.000 0.429 160 I N 6.559 127.157 120.570 0.046 0.000 2.495 160 I HA 0.262 4.433 4.170 0.002 0.000 0.277 160 I C -2.370 173.806 176.117 0.098 0.000 1.045 160 I CA -1.662 59.679 61.300 0.068 0.000 1.135 160 I CB 1.778 39.806 38.000 0.048 0.000 1.241 160 I HN 0.177 nan 8.210 nan 0.000 0.469 161 P HA -0.071 nan 4.420 nan 0.000 0.268 161 P C -1.050 176.351 177.300 0.167 0.000 1.205 161 P CA -0.006 63.124 63.100 0.049 0.000 0.771 161 P CB 0.390 32.073 31.700 -0.028 0.000 0.858 162 W N 5.481 126.696 121.300 -0.142 0.000 2.363 162 W HA 0.341 5.002 4.660 0.002 0.000 0.314 162 W C -1.505 174.910 176.519 -0.173 0.000 0.994 162 W CA -1.020 56.303 57.345 -0.036 0.000 1.449 162 W CB -0.303 29.185 29.460 0.046 0.000 1.248 162 W HN 0.340 nan 8.180 nan 0.000 0.409 163 Y N 5.636 126.097 120.300 0.268 0.000 2.316 163 Y HA 0.413 4.964 4.550 0.002 0.000 0.331 163 Y C 0.675 176.623 175.900 0.078 0.000 1.083 163 Y CA -0.147 58.033 58.100 0.133 0.000 1.206 163 Y CB 0.852 39.424 38.460 0.187 0.000 1.195 163 Y HN 0.057 nan 8.280 nan 0.000 0.497 164 I N 4.897 125.487 120.570 0.033 0.000 2.439 164 I HA 0.300 4.471 4.170 0.002 0.000 0.285 164 I C -0.638 175.368 176.117 -0.185 0.000 1.021 164 I CA -0.731 60.477 61.300 -0.154 0.000 1.091 164 I CB 1.694 39.365 38.000 -0.547 0.000 1.242 164 I HN 0.540 nan 8.210 nan 0.000 0.439 165 M N 7.233 126.623 119.600 -0.349 0.000 2.108 165 M HA 0.353 4.835 4.480 0.002 0.000 0.354 165 M C -0.044 176.042 176.300 -0.357 0.000 1.229 165 M CA -0.028 54.800 55.300 -0.787 0.000 1.081 165 M CB 0.907 33.057 32.600 -0.750 0.000 1.606 165 M HN 0.781 nan 8.290 nan 0.000 0.467 166 T N 1.399 115.769 114.554 -0.308 0.000 2.919 166 T HA 0.823 5.175 4.350 0.002 0.000 0.282 166 T C -0.074 174.543 174.700 -0.137 0.000 1.020 166 T CA -0.601 61.417 62.100 -0.137 0.000 0.994 166 T CB 1.626 70.447 68.868 -0.079 0.000 1.180 166 T HN 0.721 nan 8.240 nan 0.000 0.566 167 S N -1.145 114.511 115.700 -0.073 0.000 2.751 167 S HA 0.662 5.134 4.470 0.002 0.000 0.310 167 S C 1.558 176.137 174.600 -0.034 0.000 1.128 167 S CA -0.366 57.801 58.200 -0.054 0.000 0.931 167 S CB 0.906 64.085 63.200 -0.035 0.000 1.177 167 S HN 1.164 nan 8.310 nan 0.000 0.530 168 G N 0.230 109.018 108.800 -0.020 0.000 2.462 168 G HA2 -0.173 3.788 3.960 0.002 0.000 0.220 168 G HA3 -0.173 3.788 3.960 0.002 0.000 0.220 168 G C 1.329 176.224 174.900 -0.007 0.000 1.121 168 G CA 0.591 45.684 45.100 -0.011 0.000 0.758 168 G HN 0.644 nan 8.290 nan 0.000 0.559 169 R N -0.017 120.481 120.500 -0.004 0.000 2.297 169 R HA 0.116 4.458 4.340 0.002 0.000 0.197 169 R C 2.251 178.557 176.300 0.010 0.000 0.943 169 R CA 1.343 57.445 56.100 0.004 0.000 1.038 169 R CB 0.058 30.362 30.300 0.006 0.000 0.957 169 R HN 0.422 nan 8.270 nan 0.000 0.484 170 T N -4.213 110.343 114.554 0.003 0.000 2.958 170 T HA 0.072 4.424 4.350 0.002 0.000 0.256 170 T C 1.463 176.158 174.700 -0.008 0.000 0.983 170 T CA -0.083 62.029 62.100 0.021 0.000 0.924 170 T CB -0.029 68.862 68.868 0.038 0.000 1.136 170 T HN -0.031 nan 8.240 nan 0.000 0.506 171 M N 2.764 122.338 119.600 -0.043 0.000 2.115 171 M HA -0.060 4.421 4.480 0.002 0.000 0.258 171 M C 1.839 178.057 176.300 -0.137 0.000 1.071 171 M CA 1.988 57.227 55.300 -0.100 0.000 1.100 171 M CB -0.943 31.609 32.600 -0.080 0.000 1.292 171 M HN 0.306 nan 8.290 nan 0.000 0.415 172 E N -0.076 120.076 120.200 -0.081 0.000 2.021 172 E HA -0.218 4.134 4.350 0.002 0.000 0.200 172 E C 1.981 178.551 176.600 -0.050 0.000 1.015 172 E CA 2.565 58.923 56.400 -0.070 0.000 0.824 172 E CB -0.552 29.131 29.700 -0.029 0.000 0.762 172 E HN 0.772 nan 8.360 nan 0.000 0.454 173 S N -0.015 115.687 115.700 0.003 0.000 2.383 173 S HA -0.209 4.262 4.470 0.002 0.000 0.229 173 S C 2.131 176.785 174.600 0.091 0.000 1.030 173 S CA 1.729 59.965 58.200 0.059 0.000 1.002 173 S CB -0.833 62.421 63.200 0.091 0.000 0.829 173 S HN 0.169 nan 8.310 nan 0.000 0.467 174 T N 2.317 116.895 114.554 0.039 0.000 2.737 174 T HA -0.016 4.335 4.350 0.002 0.000 0.265 174 T C 1.820 176.457 174.700 -0.103 0.000 1.038 174 T CA 1.510 63.643 62.100 0.056 0.000 1.144 174 T CB -0.277 68.580 68.868 -0.019 0.000 0.866 174 T HN 0.509 nan 8.240 nan 0.000 0.434 175 K N 0.926 121.085 120.400 -0.402 0.000 2.057 175 K HA -0.108 4.214 4.320 0.002 0.000 0.207 175 K C 2.442 178.940 176.600 -0.170 0.000 1.049 175 K CA 1.357 57.307 56.287 -0.562 0.000 0.931 175 K CB -0.114 32.070 32.500 -0.526 0.000 0.714 175 K HN 0.472 nan 8.250 nan 0.000 0.440 176 E N 0.135 120.302 120.200 -0.055 0.000 2.051 176 E HA -0.192 4.159 4.350 0.002 0.000 0.192 176 E C 1.864 178.501 176.600 0.062 0.000 0.991 176 E CA 1.030 57.433 56.400 0.005 0.000 0.799 176 E CB -0.189 29.528 29.700 0.029 0.000 0.748 176 E HN 0.198 nan 8.360 nan 0.000 0.449 177 F N 0.692 120.652 119.950 0.016 0.000 2.095 177 F HA -0.241 4.288 4.527 0.002 0.000 0.298 177 F C 1.868 177.664 175.800 -0.007 0.000 1.104 177 F CA 1.434 59.478 58.000 0.073 0.000 1.232 177 F CB -0.227 38.875 39.000 0.169 0.000 0.987 177 F HN -0.079 nan 8.300 nan 0.000 0.475 178 F N 0.438 120.315 119.950 -0.123 0.000 2.102 178 F HA -0.204 4.324 4.527 0.002 0.000 0.298 178 F C 2.630 177.968 175.800 -0.770 0.000 1.105 178 F CA 2.062 59.766 58.000 -0.493 0.000 1.239 178 F CB -1.367 37.364 39.000 -0.447 0.000 0.991 178 F HN -0.138 nan 8.300 nan 0.000 0.474 179 T N -0.224 114.124 114.554 -0.344 0.000 2.665 179 T HA -0.299 4.053 4.350 0.002 0.000 0.268 179 T C 2.023 176.581 174.700 -0.237 0.000 1.035 179 T CA 1.820 63.795 62.100 -0.209 0.000 1.151 179 T CB -0.371 68.476 68.868 -0.036 0.000 0.862 179 T HN 0.189 nan 8.240 nan 0.000 0.438 180 K N 0.156 120.387 120.400 -0.281 0.000 2.152 180 K HA -0.163 4.159 4.320 0.002 0.000 0.206 180 K C 1.332 177.584 176.600 -0.581 0.000 1.048 180 K CA 1.505 57.571 56.287 -0.369 0.000 0.933 180 K CB -0.121 32.161 32.500 -0.363 0.000 0.721 180 K HN 0.456 nan 8.250 nan 0.000 0.447 181 H N 0.073 118.719 119.070 -0.707 0.000 2.519 181 H HA 0.241 4.798 4.556 0.002 0.000 0.289 181 H C -0.513 174.412 175.328 -0.672 0.000 1.040 181 H CA 0.067 55.608 56.048 -0.846 0.000 1.165 181 H CB 0.430 29.263 29.762 -1.548 0.000 1.462 181 H HN 0.121 nan 8.280 nan 0.000 0.555 182 K N -0.146 120.058 120.400 -0.326 0.000 3.035 182 K HA -0.296 4.026 4.320 0.002 0.000 0.262 182 K C -0.835 175.817 176.600 0.086 0.000 1.024 182 K CA 0.645 56.906 56.287 -0.043 0.000 0.748 182 K CB -1.920 30.559 32.500 -0.034 0.000 1.247 182 K HN 0.531 nan 8.250 nan 0.000 0.482 183 Y N -2.365 117.822 120.300 -0.187 0.000 4.079 183 Y HA -0.320 4.231 4.550 0.002 0.000 0.223 183 Y C 0.533 176.517 175.900 0.139 0.000 1.155 183 Y CA 1.401 59.527 58.100 0.044 0.000 1.805 183 Y CB -2.912 35.684 38.460 0.227 0.000 1.571 183 Y HN 0.420 nan 8.280 nan 0.000 0.654 184 F N -1.992 118.030 119.950 0.122 0.000 3.093 184 F HA -0.267 4.261 4.527 0.002 0.000 0.283 184 F C 1.651 177.541 175.800 0.150 0.000 0.848 184 F CA 1.821 59.888 58.000 0.111 0.000 1.059 184 F CB -1.472 37.584 39.000 0.094 0.000 1.191 184 F HN 0.605 nan 8.300 nan 0.000 0.514 185 G N -1.134 107.817 108.800 0.252 0.000 2.201 185 G HA2 -0.250 3.712 3.960 0.002 0.000 0.212 185 G HA3 -0.250 3.712 3.960 0.002 0.000 0.212 185 G C 0.152 175.180 174.900 0.213 0.000 0.994 185 G CA -0.114 45.108 45.100 0.203 0.000 0.644 185 G HN 0.418 nan 8.290 nan 0.000 0.508 186 L N 0.431 121.836 121.223 0.303 0.000 2.431 186 L HA 0.557 4.898 4.340 0.002 0.000 0.260 186 L C 0.767 177.754 176.870 0.195 0.000 1.098 186 L CA -0.890 54.113 54.840 0.271 0.000 0.800 186 L CB 0.781 43.080 42.059 0.399 0.000 1.210 186 L HN -0.007 nan 8.230 nan 0.000 0.465 187 K N 0.891 121.351 120.400 0.099 0.000 2.234 187 K HA 0.104 4.425 4.320 0.002 0.000 0.282 187 K C 0.595 177.094 176.600 -0.167 0.000 1.039 187 K CA -0.420 55.855 56.287 -0.021 0.000 0.928 187 K CB 1.481 33.970 32.500 -0.018 0.000 1.039 187 K HN 0.396 nan 8.250 nan 0.000 0.470 188 K N 3.605 123.743 120.400 -0.437 0.000 2.113 188 K HA -0.247 4.074 4.320 0.002 0.000 0.208 188 K C 1.398 177.772 176.600 -0.378 0.000 1.047 188 K CA 2.048 57.837 56.287 -0.830 0.000 0.928 188 K CB 0.178 32.197 32.500 -0.803 0.000 0.716 188 K HN 0.738 nan 8.250 nan 0.000 0.446 189 E N -0.383 119.689 120.200 -0.213 0.000 2.338 189 E HA -0.148 4.203 4.350 0.002 0.000 0.197 189 E C 0.442 176.971 176.600 -0.118 0.000 1.007 189 E CA 0.772 57.094 56.400 -0.130 0.000 0.849 189 E CB -0.092 29.559 29.700 -0.082 0.000 0.774 189 E HN 0.296 nan 8.360 nan 0.000 0.506 190 N N 0.891 119.528 118.700 -0.105 0.000 2.251 190 N HA 0.129 4.871 4.740 0.002 0.000 0.217 190 N C -1.001 174.464 175.510 -0.075 0.000 1.124 190 N CA 0.069 53.075 53.050 -0.074 0.000 0.843 190 N CB 1.653 40.139 38.487 -0.000 0.000 1.024 190 N HN -0.029 nan 8.380 nan 0.000 0.501 191 V N 1.982 121.801 119.914 -0.158 0.000 2.380 191 V HA 0.407 4.528 4.120 0.002 0.000 0.286 191 V C -0.570 175.242 176.094 -0.470 0.000 1.015 191 V CA -0.736 61.396 62.300 -0.281 0.000 0.834 191 V CB 1.428 33.152 31.823 -0.165 0.000 1.009 191 V HN -0.079 nan 8.190 nan 0.000 0.428 192 I N 5.478 125.733 120.570 -0.526 0.000 2.328 192 I HA 0.460 4.631 4.170 0.002 0.000 0.287 192 I C -0.236 175.746 176.117 -0.224 0.000 1.012 192 I CA -0.016 61.083 61.300 -0.334 0.000 1.195 192 I CB 0.633 38.453 38.000 -0.301 0.000 1.350 192 I HN 0.305 nan 8.210 nan 0.000 0.464 193 F N 6.986 126.937 119.950 0.002 0.000 2.384 193 F HA 0.624 5.152 4.527 0.002 0.000 0.338 193 F C 0.097 176.023 175.800 0.210 0.000 1.103 193 F CA -0.371 57.634 58.000 0.009 0.000 1.157 193 F CB 0.831 39.764 39.000 -0.111 0.000 1.167 193 F HN 0.369 nan 8.300 nan 0.000 0.529 194 F N 0.454 120.496 119.950 0.152 0.000 2.615 194 F HA 0.434 4.962 4.527 0.002 0.000 0.312 194 F C -1.287 174.554 175.800 0.068 0.000 1.119 194 F CA -1.138 56.920 58.000 0.098 0.000 0.979 194 F CB 1.274 40.326 39.000 0.087 0.000 1.266 194 F HN 0.434 nan 8.300 nan 0.000 0.444 195 Q N 3.719 123.528 119.800 0.015 0.000 2.243 195 Q HA 0.345 4.686 4.340 0.002 0.000 0.252 195 Q C -0.660 175.307 176.000 -0.056 0.000 0.909 195 Q CA -0.773 54.981 55.803 -0.081 0.000 0.922 195 Q CB 1.640 30.372 28.738 -0.011 0.000 1.215 195 Q HN 0.867 nan 8.270 nan 0.000 0.427 196 Q N 1.797 121.528 119.800 -0.115 0.000 2.249 196 Q HA 0.604 4.945 4.340 0.002 0.000 0.226 196 Q C 0.112 176.108 176.000 -0.006 0.000 0.983 196 Q CA -0.746 55.027 55.803 -0.050 0.000 0.930 196 Q CB 0.777 29.463 28.738 -0.086 0.000 1.193 196 Q HN 0.646 nan 8.270 nan 0.000 0.508 197 G N 0.627 109.440 108.800 0.021 0.000 2.588 197 G HA2 0.503 4.465 3.960 0.002 0.000 0.278 197 G HA3 0.503 4.465 3.960 0.002 0.000 0.278 197 G C -0.472 174.442 174.900 0.025 0.000 1.307 197 G CA -0.804 44.316 45.100 0.032 0.000 1.016 197 G HN 0.576 nan 8.290 nan 0.000 0.503 198 M N -0.604 119.014 119.600 0.030 0.000 2.593 198 M HA 0.488 4.970 4.480 0.002 0.000 0.290 198 M C -1.260 175.061 176.300 0.034 0.000 1.244 198 M CA -0.461 54.854 55.300 0.025 0.000 0.857 198 M CB 2.511 35.120 32.600 0.014 0.000 1.738 198 M HN 0.224 nan 8.290 nan 0.000 0.461 199 L N 2.454 123.693 121.223 0.028 0.000 2.388 199 L HA 0.631 4.972 4.340 0.002 0.000 0.264 199 L C -2.384 174.498 176.870 0.021 0.000 0.998 199 L CA -1.766 53.091 54.840 0.030 0.000 0.817 199 L CB 2.927 44.990 42.059 0.006 0.000 1.338 199 L HN 0.367 nan 8.230 nan 0.000 0.414 200 P HA 0.226 nan 4.420 nan 0.000 0.278 200 P C -0.928 176.387 177.300 0.024 0.000 1.238 200 P CA -0.378 62.739 63.100 0.028 0.000 0.794 200 P CB 1.516 33.237 31.700 0.035 0.000 0.955 201 A N 3.795 126.626 122.820 0.018 0.000 2.351 201 A HA 0.578 4.900 4.320 0.002 0.000 0.257 201 A C 0.195 177.768 177.584 -0.017 0.000 1.087 201 A CA -0.156 51.882 52.037 0.002 0.000 0.798 201 A CB -0.134 18.862 19.000 -0.006 0.000 1.033 201 A HN 0.576 nan 8.150 nan 0.000 0.488 202 M N 1.506 121.080 119.600 -0.044 0.000 2.446 202 M HA 0.311 4.792 4.480 0.002 0.000 0.294 202 M C 0.167 176.350 176.300 -0.195 0.000 1.158 202 M CA -0.439 54.797 55.300 -0.107 0.000 0.899 202 M CB 2.594 35.144 32.600 -0.084 0.000 1.687 202 M HN 0.858 nan 8.290 nan 0.000 0.455 203 S N 0.680 116.206 115.700 -0.289 0.000 2.624 203 S HA 0.414 4.885 4.470 0.002 0.000 0.263 203 S C 0.651 175.067 174.600 -0.307 0.000 1.287 203 S CA -0.557 57.384 58.200 -0.432 0.000 0.990 203 S CB 0.302 63.280 63.200 -0.370 0.000 0.950 203 S HN 0.635 nan 8.310 nan 0.000 0.561 204 F N 1.087 121.023 119.950 -0.023 0.000 2.373 204 F HA -0.083 4.445 4.527 0.002 0.000 0.300 204 F C 2.025 177.865 175.800 0.067 0.000 1.080 204 F CA 0.857 58.880 58.000 0.038 0.000 1.417 204 F CB -0.378 38.608 39.000 -0.024 0.000 1.070 204 F HN 0.640 nan 8.300 nan 0.000 0.546 205 D N -0.913 119.523 120.400 0.059 0.000 2.340 205 D HA 0.129 4.770 4.640 0.002 0.000 0.220 205 D C 1.805 177.989 176.300 -0.193 0.000 1.039 205 D CA 0.880 54.870 54.000 -0.017 0.000 0.866 205 D CB -0.046 40.710 40.800 -0.074 0.000 0.913 205 D HN 0.284 nan 8.370 nan 0.000 0.523 206 G N -0.011 108.459 108.800 -0.551 0.000 2.176 206 G HA2 -0.268 3.694 3.960 0.002 0.000 0.232 206 G HA3 -0.268 3.694 3.960 0.002 0.000 0.232 206 G C 0.076 174.571 174.900 -0.675 0.000 0.986 206 G CA -0.096 44.277 45.100 -1.212 0.000 0.643 206 G HN 0.424 nan 8.290 nan 0.000 0.522 207 K N 0.512 120.656 120.400 -0.426 0.000 2.234 207 K HA 0.559 4.880 4.320 0.002 0.000 0.282 207 K C 0.724 177.256 176.600 -0.115 0.000 1.039 207 K CA -0.629 55.495 56.287 -0.270 0.000 0.928 207 K CB 1.338 33.537 32.500 -0.503 0.000 1.039 207 K HN 0.273 nan 8.250 nan 0.000 0.470 208 I N 3.957 124.581 120.570 0.089 0.000 2.648 208 I HA -0.029 4.143 4.170 0.002 0.000 0.284 208 I C 0.412 176.632 176.117 0.171 0.000 1.153 208 I CA 0.123 61.483 61.300 0.100 0.000 1.426 208 I CB 0.326 38.403 38.000 0.128 0.000 1.381 208 I HN 0.371 nan 8.210 nan 0.000 0.571 209 I N 7.114 127.727 120.570 0.072 0.000 2.342 209 I HA 0.201 4.373 4.170 0.002 0.000 0.291 209 I C -0.076 176.110 176.117 0.117 0.000 1.010 209 I CA -0.351 60.996 61.300 0.078 0.000 1.308 209 I CB 0.757 38.756 38.000 -0.002 0.000 1.400 209 I HN 0.346 nan 8.210 nan 0.000 0.488 210 L N 6.494 127.819 121.223 0.170 0.000 2.305 210 L HA 0.198 4.540 4.340 0.002 0.000 0.281 210 L C 1.399 178.362 176.870 0.154 0.000 1.085 210 L CA 0.104 55.040 54.840 0.160 0.000 0.813 210 L CB 1.363 43.553 42.059 0.219 0.000 1.157 210 L HN 0.708 nan 8.230 nan 0.000 0.436 211 E N 2.016 122.276 120.200 0.099 0.000 2.086 211 E HA -0.003 4.348 4.350 0.002 0.000 0.190 211 E C 0.054 176.666 176.600 0.020 0.000 0.975 211 E CA 0.737 57.180 56.400 0.072 0.000 0.813 211 E CB 0.630 30.358 29.700 0.047 0.000 0.768 211 E HN 0.552 nan 8.360 nan 0.000 0.457 212 E N -0.557 119.643 120.200 -0.001 0.000 2.410 212 E HA 0.195 4.546 4.350 0.002 0.000 0.269 212 E C 0.274 176.812 176.600 -0.103 0.000 0.937 212 E CA -0.537 55.818 56.400 -0.076 0.000 0.793 212 E CB 1.445 31.108 29.700 -0.062 0.000 1.314 212 E HN -0.033 nan 8.360 nan 0.000 0.447 213 K N 0.761 120.997 120.400 -0.273 0.000 2.160 213 K HA -0.144 4.178 4.320 0.002 0.000 0.206 213 K C 1.100 177.702 176.600 0.005 0.000 1.047 213 K CA 1.494 57.556 56.287 -0.376 0.000 0.930 213 K CB 0.009 32.142 32.500 -0.612 0.000 0.720 213 K HN 0.354 nan 8.250 nan 0.000 0.450 214 N N 0.331 119.028 118.700 -0.005 0.000 2.282 214 N HA 0.039 4.780 4.740 0.002 0.000 0.240 214 N C -0.837 174.712 175.510 0.065 0.000 1.182 214 N CA -0.162 52.925 53.050 0.062 0.000 0.874 214 N CB 0.674 39.173 38.487 0.020 0.000 1.126 214 N HN -0.126 nan 8.380 nan 0.000 0.516 215 K N 0.323 120.757 120.400 0.057 0.000 2.581 215 K HA 0.326 4.647 4.320 0.002 0.000 0.249 215 K C -1.519 175.120 176.600 0.064 0.000 0.966 215 K CA -0.524 55.795 56.287 0.054 0.000 0.811 215 K CB 1.981 34.498 32.500 0.028 0.000 1.223 215 K HN -0.128 nan 8.250 nan 0.000 0.438 216 V N 3.083 123.038 119.914 0.068 0.000 2.555 216 V HA 0.162 4.284 4.120 0.002 0.000 0.286 216 V C 0.309 176.436 176.094 0.055 0.000 1.044 216 V CA -0.373 61.968 62.300 0.069 0.000 1.026 216 V CB 1.341 33.204 31.823 0.066 0.000 0.981 216 V HN 0.847 nan 8.190 nan 0.000 0.480 217 S N 7.024 122.760 115.700 0.060 0.000 2.481 217 S HA 0.297 4.768 4.470 0.002 0.000 0.282 217 S C -0.174 174.449 174.600 0.037 0.000 1.243 217 S CA -0.334 57.895 58.200 0.049 0.000 1.078 217 S CB -0.402 62.831 63.200 0.055 0.000 0.916 217 S HN 0.542 nan 8.310 nan 0.000 0.495 218 M N 3.324 122.942 119.600 0.030 0.000 2.716 218 M HA 0.787 5.268 4.480 0.002 0.000 0.307 218 M C -0.286 176.027 176.300 0.021 0.000 1.223 218 M CA -0.733 54.582 55.300 0.024 0.000 0.871 218 M CB 1.674 34.286 32.600 0.020 0.000 1.739 218 M HN 0.667 nan 8.290 nan 0.000 0.475 219 A N 1.654 124.486 122.820 0.019 0.000 2.612 219 A HA 0.839 5.160 4.320 0.002 0.000 0.293 219 A C -2.926 174.668 177.584 0.018 0.000 1.075 219 A CA -1.263 50.785 52.037 0.019 0.000 0.680 219 A CB 1.292 20.306 19.000 0.024 0.000 1.279 219 A HN 0.467 nan 8.150 nan 0.000 0.411 220 P HA 0.106 nan 4.420 nan 0.000 0.266 220 P C -0.373 176.941 177.300 0.023 0.000 1.193 220 P CA 0.395 63.502 63.100 0.012 0.000 0.770 220 P CB 0.422 32.124 31.700 0.003 0.000 0.836 221 D N 1.454 121.870 120.400 0.026 0.000 2.395 221 D HA 0.208 4.849 4.640 0.002 0.000 0.250 221 D C 0.770 177.104 176.300 0.056 0.000 1.203 221 D CA -0.140 53.885 54.000 0.042 0.000 0.872 221 D CB -0.975 39.860 40.800 0.058 0.000 0.941 221 D HN 0.567 nan 8.370 nan 0.000 0.504 222 G N 1.274 110.108 108.800 0.057 0.000 2.712 222 G HA2 -0.250 3.711 3.960 0.002 0.000 0.686 222 G HA3 -0.250 3.711 3.960 0.002 0.000 0.686 222 G C 0.481 175.409 174.900 0.047 0.000 1.321 222 G CA -0.292 44.864 45.100 0.093 0.000 0.813 222 G HN 0.318 nan 8.290 nan 0.000 0.599 223 N N -0.147 118.579 118.700 0.043 0.000 2.520 223 N HA 0.067 4.808 4.740 0.002 0.000 0.185 223 N C 2.051 177.523 175.510 -0.063 0.000 1.068 223 N CA 2.072 55.108 53.050 -0.025 0.000 0.911 223 N CB -0.285 38.180 38.487 -0.037 0.000 0.961 223 N HN 1.303 nan 8.380 nan 0.000 0.446 224 G N -0.551 108.249 108.800 -0.001 0.000 2.848 224 G HA2 0.030 3.992 3.960 0.002 0.000 0.208 224 G HA3 0.030 3.992 3.960 0.002 0.000 0.208 224 G C 1.257 176.135 174.900 -0.036 0.000 1.152 224 G CA 0.273 45.381 45.100 0.013 0.000 0.789 224 G HN 0.478 nan 8.290 nan 0.000 0.531 225 G N 0.631 109.401 108.800 -0.050 0.000 2.848 225 G HA2 0.029 3.990 3.960 0.002 0.000 0.208 225 G HA3 0.029 3.990 3.960 0.002 0.000 0.208 225 G C 1.527 176.380 174.900 -0.080 0.000 1.152 225 G CA 0.522 45.606 45.100 -0.028 0.000 0.789 225 G HN 0.391 nan 8.290 nan 0.000 0.531 226 L N -0.124 120.958 121.223 -0.235 0.000 2.043 226 L HA -0.100 4.241 4.340 0.002 0.000 0.212 226 L C 2.497 179.229 176.870 -0.230 0.000 1.075 226 L CA 1.724 56.402 54.840 -0.269 0.000 0.752 226 L CB -0.690 41.051 42.059 -0.530 0.000 0.891 226 L HN 0.390 nan 8.230 nan 0.000 0.432 227 Y N -0.571 119.751 120.300 0.037 0.000 2.145 227 Y HA -0.147 4.404 4.550 0.002 0.000 0.286 227 Y C 2.721 178.622 175.900 0.000 0.000 1.145 227 Y CA 1.335 59.425 58.100 -0.017 0.000 1.148 227 Y CB -0.411 38.010 38.460 -0.066 0.000 0.981 227 Y HN 0.075 nan 8.280 nan 0.000 0.507 228 R N 0.013 120.591 120.500 0.130 0.000 2.189 228 R HA -0.041 4.300 4.340 0.002 0.000 0.218 228 R C 2.349 178.706 176.300 0.095 0.000 1.074 228 R CA 0.825 56.983 56.100 0.097 0.000 0.991 228 R CB -0.385 29.971 30.300 0.094 0.000 0.883 228 R HN 0.364 nan 8.270 nan 0.000 0.457 229 A N 1.195 124.087 122.820 0.119 0.000 1.897 229 A HA -0.065 4.256 4.320 0.002 0.000 0.215 229 A C 2.172 179.880 177.584 0.207 0.000 1.181 229 A CA 0.768 52.927 52.037 0.204 0.000 0.620 229 A CB -0.380 18.782 19.000 0.269 0.000 0.821 229 A HN 0.148 nan 8.150 nan 0.000 0.443 230 L N -0.709 120.583 121.223 0.114 0.000 2.079 230 L HA -0.227 4.114 4.340 0.002 0.000 0.210 230 L C 3.071 179.901 176.870 -0.067 0.000 1.081 230 L CA 1.150 55.934 54.840 -0.094 0.000 0.752 230 L CB -0.539 41.461 42.059 -0.099 0.000 0.896 230 L HN 0.462 nan 8.230 nan 0.000 0.433 231 A N -0.083 122.734 122.820 -0.004 0.000 1.872 231 A HA -0.075 4.246 4.320 0.002 0.000 0.214 231 A C 2.497 180.083 177.584 0.003 0.000 1.187 231 A CA 1.414 53.445 52.037 -0.010 0.000 0.614 231 A CB -0.658 18.345 19.000 0.005 0.000 0.826 231 A HN 0.370 nan 8.150 nan 0.000 0.442 232 A N -1.393 121.448 122.820 0.035 0.000 2.070 232 A HA -0.103 4.218 4.320 0.002 0.000 0.220 232 A C 1.832 179.441 177.584 0.043 0.000 1.159 232 A CA 1.671 53.734 52.037 0.043 0.000 0.656 232 A CB -0.264 18.776 19.000 0.066 0.000 0.800 232 A HN 0.594 nan 8.150 nan 0.000 0.453 233 Q N -0.989 118.833 119.800 0.036 0.000 2.135 233 Q HA 0.167 4.508 4.340 0.002 0.000 0.222 233 Q C -0.405 175.580 176.000 -0.025 0.000 0.808 233 Q CA -0.293 55.528 55.803 0.030 0.000 1.049 233 Q CB 0.489 29.283 28.738 0.094 0.000 1.168 233 Q HN 0.594 nan 8.270 nan 0.000 0.483 234 N N 0.586 119.259 118.700 -0.044 0.000 2.708 234 N HA -0.218 4.524 4.740 0.002 0.000 0.249 234 N C 0.550 176.000 175.510 -0.099 0.000 1.097 234 N CA 0.626 53.640 53.050 -0.059 0.000 0.710 234 N CB -0.591 37.880 38.487 -0.027 0.000 1.032 234 N HN 0.343 nan 8.380 nan 0.000 0.551 235 I N -0.164 120.289 120.570 -0.195 0.000 2.264 235 I HA -0.188 3.983 4.170 0.002 0.000 0.248 235 I C 2.440 178.394 176.117 -0.272 0.000 1.111 235 I CA 1.013 62.129 61.300 -0.305 0.000 1.382 235 I CB -1.004 36.596 38.000 -0.667 0.000 1.060 235 I HN 0.052 nan 8.210 nan 0.000 0.418 236 V N 0.849 120.629 119.914 -0.223 0.000 2.427 236 V HA -0.227 3.895 4.120 0.002 0.000 0.248 236 V C 2.500 178.533 176.094 -0.102 0.000 1.051 236 V CA 1.546 63.741 62.300 -0.175 0.000 1.048 236 V CB -0.676 31.065 31.823 -0.138 0.000 0.666 236 V HN 0.292 nan 8.190 nan 0.000 0.456 237 E N 0.280 120.436 120.200 -0.074 0.000 2.085 237 E HA -0.246 4.105 4.350 0.002 0.000 0.194 237 E C 1.902 178.496 176.600 -0.010 0.000 0.994 237 E CA 1.685 58.065 56.400 -0.034 0.000 0.801 237 E CB -0.462 29.223 29.700 -0.025 0.000 0.743 237 E HN 0.726 nan 8.360 nan 0.000 0.453 238 D N -0.605 119.793 120.400 -0.003 0.000 2.123 238 D HA -0.156 4.485 4.640 0.002 0.000 0.196 238 D C 1.748 178.108 176.300 0.101 0.000 0.992 238 D CA 1.340 55.380 54.000 0.066 0.000 0.833 238 D CB 0.058 40.946 40.800 0.146 0.000 0.954 238 D HN 0.116 nan 8.370 nan 0.000 0.455 239 M N -0.138 119.486 119.600 0.040 0.000 2.175 239 M HA -0.084 4.397 4.480 0.002 0.000 0.264 239 M C 2.072 178.401 176.300 0.048 0.000 1.063 239 M CA 1.214 56.542 55.300 0.048 0.000 1.119 239 M CB -0.142 32.394 32.600 -0.108 0.000 1.377 239 M HN 0.036 nan 8.290 nan 0.000 0.415 240 E N 0.060 120.272 120.200 0.019 0.000 2.072 240 E HA -0.219 4.132 4.350 0.002 0.000 0.191 240 E C 2.101 178.728 176.600 0.045 0.000 0.985 240 E CA 0.925 57.345 56.400 0.034 0.000 0.801 240 E CB -0.166 29.544 29.700 0.017 0.000 0.750 240 E HN 0.511 nan 8.360 nan 0.000 0.452 241 Q N 1.017 120.841 119.800 0.040 0.000 2.084 241 Q HA -0.166 4.175 4.340 0.002 0.000 0.202 241 Q C 2.008 178.036 176.000 0.047 0.000 0.978 241 Q CA 1.242 57.069 55.803 0.038 0.000 0.844 241 Q CB 0.078 28.836 28.738 0.033 0.000 0.898 241 Q HN 0.155 nan 8.270 nan 0.000 0.426 242 R N -1.123 119.415 120.500 0.063 0.000 2.237 242 R HA -0.040 4.301 4.340 0.002 0.000 0.219 242 R C 1.177 177.515 176.300 0.064 0.000 1.080 242 R CA 0.661 56.801 56.100 0.066 0.000 0.995 242 R CB 0.041 30.397 30.300 0.094 0.000 0.875 242 R HN 0.508 nan 8.270 nan 0.000 0.462 243 G N 0.766 109.609 108.800 0.071 0.000 2.132 243 G HA2 -0.200 3.761 3.960 0.002 0.000 0.228 243 G HA3 -0.200 3.761 3.960 0.002 0.000 0.228 243 G C 0.076 175.042 174.900 0.109 0.000 1.000 243 G CA -0.437 44.710 45.100 0.078 0.000 0.693 243 G HN 0.093 nan 8.290 nan 0.000 0.515 244 I N 0.238 120.877 120.570 0.117 0.000 2.588 244 I HA 0.161 4.332 4.170 0.002 0.000 0.283 244 I C 1.280 177.506 176.117 0.182 0.000 1.119 244 I CA -0.440 60.942 61.300 0.137 0.000 1.419 244 I CB 0.790 38.863 38.000 0.121 0.000 1.394 244 I HN 0.419 nan 8.210 nan 0.000 0.562 245 W N 5.589 126.898 121.300 0.015 0.000 2.777 245 W HA 0.166 4.827 4.660 0.002 0.000 0.260 245 W C -0.377 176.134 176.519 -0.013 0.000 1.194 245 W CA 0.115 57.468 57.345 0.013 0.000 1.447 245 W CB 0.750 30.225 29.460 0.025 0.000 1.009 245 W HN 0.386 nan 8.180 nan 0.000 0.613 246 S N 2.306 117.979 115.700 -0.046 0.000 2.482 246 S HA 0.525 4.996 4.470 0.002 0.000 0.303 246 S C -0.590 173.920 174.600 -0.150 0.000 1.091 246 S CA -0.504 57.548 58.200 -0.246 0.000 1.057 246 S CB 2.074 65.340 63.200 0.110 0.000 1.031 246 S HN -0.038 nan 8.310 nan 0.000 0.485 247 I N 2.960 123.362 120.570 -0.281 0.000 2.436 247 I HA 0.262 4.434 4.170 0.002 0.000 0.289 247 I C 0.014 176.152 176.117 0.034 0.000 1.010 247 I CA -0.346 60.932 61.300 -0.035 0.000 1.098 247 I CB 1.488 39.498 38.000 0.018 0.000 1.266 247 I HN 0.786 nan 8.210 nan 0.000 0.434 248 H N 6.159 125.294 119.070 0.108 0.000 2.641 248 H HA 0.512 5.070 4.556 0.002 0.000 0.295 248 H C -1.342 174.170 175.328 0.307 0.000 1.070 248 H CA -0.545 55.630 56.048 0.212 0.000 1.257 248 H CB 1.318 31.244 29.762 0.273 0.000 1.393 248 H HN 0.329 nan 8.280 nan 0.000 0.464 249 V N 7.399 127.443 119.914 0.216 0.000 2.481 249 V HA 0.197 4.319 4.120 0.002 0.000 0.286 249 V C -0.663 175.457 176.094 0.044 0.000 1.042 249 V CA -0.282 62.100 62.300 0.137 0.000 0.928 249 V CB 0.585 32.563 31.823 0.257 0.000 0.986 249 V HN 0.727 nan 8.190 nan 0.000 0.462 250 Y N 2.448 122.668 120.300 -0.134 0.000 2.625 250 Y HA 0.692 5.244 4.550 0.002 0.000 0.338 250 Y C -0.469 175.428 175.900 -0.005 0.000 1.123 250 Y CA -1.399 56.626 58.100 -0.124 0.000 1.046 250 Y CB 0.995 39.326 38.460 -0.215 0.000 1.299 250 Y HN 0.618 nan 8.280 nan 0.000 0.464 251 C N 2.728 122.089 119.300 0.102 0.000 2.452 251 C HA 0.348 4.809 4.460 0.002 0.000 0.379 251 C C 1.755 176.821 174.990 0.127 0.000 1.275 251 C CA 0.063 59.113 59.018 0.054 0.000 2.056 251 C CB 0.531 28.329 27.740 0.098 0.000 2.506 251 C HN 0.974 nan 8.230 nan 0.000 0.560 252 V N 4.403 124.332 119.914 0.025 0.000 2.594 252 V HA -0.108 4.014 4.120 0.002 0.000 0.253 252 V C 1.896 178.018 176.094 0.046 0.000 1.069 252 V CA 2.778 65.113 62.300 0.059 0.000 1.082 252 V CB -0.453 31.353 31.823 -0.028 0.000 0.680 252 V HN 1.056 nan 8.190 nan 0.000 0.469 253 D N -0.658 119.756 120.400 0.023 0.000 2.349 253 D HA -0.039 4.603 4.640 0.002 0.000 0.224 253 D C 0.748 177.028 176.300 -0.034 0.000 1.029 253 D CA 0.064 54.046 54.000 -0.030 0.000 0.879 253 D CB -0.595 40.170 40.800 -0.058 0.000 0.906 253 D HN 0.485 nan 8.370 nan 0.000 0.528 254 N N 0.740 119.459 118.700 0.032 0.000 2.500 254 N HA 0.064 4.805 4.740 0.002 0.000 0.236 254 N C 0.504 176.012 175.510 -0.004 0.000 1.022 254 N CA -0.587 52.469 53.050 0.009 0.000 0.935 254 N CB 0.572 39.138 38.487 0.132 0.000 1.147 254 N HN 0.007 nan 8.380 nan 0.000 0.512 255 I N 3.817 124.348 120.570 -0.065 0.000 2.530 255 I HA -0.131 4.040 4.170 0.002 0.000 0.257 255 I C 1.142 177.216 176.117 -0.072 0.000 1.179 255 I CA 1.413 62.670 61.300 -0.072 0.000 1.440 255 I CB 0.113 38.046 38.000 -0.112 0.000 1.087 255 I HN 0.674 nan 8.210 nan 0.000 0.440 256 L N -0.674 120.513 121.223 -0.060 0.000 2.640 256 L HA 0.217 4.558 4.340 0.002 0.000 0.230 256 L C 0.750 177.615 176.870 -0.008 0.000 1.123 256 L CA -0.362 54.449 54.840 -0.047 0.000 0.900 256 L CB -0.052 41.981 42.059 -0.043 0.000 1.146 256 L HN -0.092 nan 8.230 nan 0.000 0.484 257 V N 2.193 122.113 119.914 0.010 0.000 2.509 257 V HA -0.070 4.051 4.120 0.002 0.000 0.297 257 V C 0.645 176.707 176.094 -0.053 0.000 1.014 257 V CA 0.126 62.431 62.300 0.009 0.000 1.127 257 V CB 0.361 32.191 31.823 0.013 0.000 0.925 257 V HN 0.302 nan 8.190 nan 0.000 0.480 258 K N 6.392 126.790 120.400 -0.004 0.000 2.111 258 K HA 0.267 4.588 4.320 0.002 0.000 0.249 258 K C -0.358 176.334 176.600 0.153 0.000 1.157 258 K CA -0.365 55.931 56.287 0.014 0.000 1.048 258 K CB 0.494 33.044 32.500 0.083 0.000 1.498 258 K HN 0.648 nan 8.250 nan 0.000 0.344 259 V N 2.034 121.964 119.914 0.026 0.000 2.694 259 V HA -0.090 4.031 4.120 0.002 0.000 0.306 259 V C 1.195 177.429 176.094 0.233 0.000 1.054 259 V CA 0.691 62.965 62.300 -0.044 0.000 1.161 259 V CB 0.440 32.088 31.823 -0.293 0.000 0.916 259 V HN 0.952 nan 8.190 nan 0.000 0.490 260 A N 3.570 126.650 122.820 0.434 0.000 2.799 260 A HA -0.217 4.104 4.320 0.002 0.000 0.287 260 A C 0.659 178.312 177.584 0.115 0.000 1.484 260 A CA 0.928 53.115 52.037 0.249 0.000 0.813 260 A CB -1.903 17.178 19.000 0.135 0.000 1.009 260 A HN 1.195 nan 8.150 nan 0.000 0.545 261 D N 0.002 120.479 120.400 0.128 0.000 2.554 261 D HA 0.127 4.768 4.640 0.002 0.000 0.251 261 D C 0.025 176.384 176.300 0.099 0.000 1.213 261 D CA -0.546 53.572 54.000 0.196 0.000 0.900 261 D CB 0.662 41.583 40.800 0.203 0.000 1.135 261 D HN 0.374 nan 8.370 nan 0.000 0.522 262 P HA -0.171 nan 4.420 nan 0.000 0.220 262 P C 1.151 178.501 177.300 0.083 0.000 1.148 262 P CA 0.966 64.095 63.100 0.048 0.000 0.803 262 P CB 0.332 32.046 31.700 0.023 0.000 0.782 263 R N -1.383 119.201 120.500 0.139 0.000 2.066 263 R HA -0.086 4.255 4.340 0.002 0.000 0.232 263 R C 2.426 178.687 176.300 -0.064 0.000 1.131 263 R CA 1.160 57.363 56.100 0.170 0.000 0.955 263 R CB -0.964 29.513 30.300 0.295 0.000 0.851 263 R HN 0.153 nan 8.270 nan 0.000 0.432 264 F N 1.640 121.405 119.950 -0.307 0.000 2.113 264 F HA -0.090 4.439 4.527 0.002 0.000 0.297 264 F C 1.896 177.421 175.800 -0.459 0.000 1.103 264 F CA 1.127 58.761 58.000 -0.611 0.000 1.248 264 F CB -0.354 38.453 39.000 -0.322 0.000 0.999 264 F HN -0.126 nan 8.300 nan 0.000 0.475 265 I N 0.163 120.532 120.570 -0.335 0.000 2.226 265 I HA -0.224 3.947 4.170 0.002 0.000 0.245 265 I C 2.740 178.630 176.117 -0.378 0.000 1.100 265 I CA 1.462 62.531 61.300 -0.386 0.000 1.374 265 I CB -1.262 36.710 38.000 -0.048 0.000 1.057 265 I HN 0.284 nan 8.210 nan 0.000 0.413 266 G N 0.526 109.213 108.800 -0.189 0.000 2.422 266 G HA2 -0.305 3.657 3.960 0.002 0.000 0.218 266 G HA3 -0.305 3.657 3.960 0.002 0.000 0.218 266 G C 1.583 176.304 174.900 -0.299 0.000 1.146 266 G CA 0.505 45.547 45.100 -0.096 0.000 0.769 266 G HN 0.354 nan 8.290 nan 0.000 0.547 267 F N 1.478 120.967 119.950 -0.769 0.000 2.051 267 F HA -0.145 4.383 4.527 0.002 0.000 0.296 267 F C 2.728 177.976 175.800 -0.920 0.000 1.122 267 F CA 1.602 58.814 58.000 -1.313 0.000 1.201 267 F CB -0.711 37.328 39.000 -1.601 0.000 0.978 267 F HN 0.192 nan 8.300 nan 0.000 0.472 268 C N 1.108 119.805 119.300 -1.005 0.000 2.413 268 C HA -0.202 4.259 4.460 0.002 0.000 0.276 268 C C 2.873 177.355 174.990 -0.847 0.000 1.248 268 C CA 0.808 59.113 59.018 -1.188 0.000 1.742 268 C CB -1.355 25.192 27.740 -1.989 0.000 2.017 268 C HN 0.532 nan 8.230 nan 0.000 0.481 269 I N 0.806 121.006 120.570 -0.617 0.000 2.142 269 I HA -0.237 3.935 4.170 0.002 0.000 0.240 269 I C 2.694 178.682 176.117 -0.216 0.000 1.078 269 I CA 1.722 62.882 61.300 -0.233 0.000 1.343 269 I CB -1.617 36.343 38.000 -0.066 0.000 1.046 269 I HN 0.527 nan 8.210 nan 0.000 0.405 270 Q N 0.997 120.647 119.800 -0.250 0.000 2.234 270 Q HA -0.209 4.132 4.340 0.002 0.000 0.206 270 Q C 1.618 177.482 176.000 -0.227 0.000 0.980 270 Q CA 1.406 57.116 55.803 -0.155 0.000 0.869 270 Q CB 0.181 28.912 28.738 -0.011 0.000 0.912 270 Q HN 0.317 nan 8.270 nan 0.000 0.436 271 K N -0.826 119.312 120.400 -0.436 0.000 2.444 271 K HA 0.086 4.408 4.320 0.002 0.000 0.193 271 K C 0.840 177.282 176.600 -0.264 0.000 1.024 271 K CA 0.766 56.804 56.287 -0.416 0.000 1.077 271 K CB 0.476 32.535 32.500 -0.735 0.000 0.833 271 K HN 0.391 nan 8.250 nan 0.000 0.517 272 G N 1.730 110.412 108.800 -0.196 0.000 2.221 272 G HA2 -0.293 3.668 3.960 0.002 0.000 0.265 272 G HA3 -0.293 3.668 3.960 0.002 0.000 0.265 272 G C 0.225 175.093 174.900 -0.055 0.000 1.041 272 G CA 0.404 45.461 45.100 -0.072 0.000 0.807 272 G HN 0.497 nan 8.290 nan 0.000 0.502 273 A N -0.193 122.546 122.820 -0.135 0.000 2.302 273 A HA 0.650 4.971 4.320 0.002 0.000 0.285 273 A C 1.185 178.832 177.584 0.106 0.000 1.105 273 A CA 0.507 52.484 52.037 -0.100 0.000 0.816 273 A CB 0.559 19.391 19.000 -0.281 0.000 1.067 273 A HN 0.642 nan 8.150 nan 0.000 0.489 274 D N -0.833 119.595 120.400 0.047 0.000 2.407 274 D HA 0.124 4.765 4.640 0.002 0.000 0.208 274 D C 0.035 176.390 176.300 0.092 0.000 1.083 274 D CA 0.072 54.102 54.000 0.051 0.000 0.844 274 D CB -0.080 40.640 40.800 -0.133 0.000 0.967 274 D HN 0.358 nan 8.370 nan 0.000 0.506 275 C N 0.294 119.663 119.300 0.114 0.000 2.811 275 C HA 0.813 5.274 4.460 0.002 0.000 0.352 275 C C -0.439 174.569 174.990 0.030 0.000 1.098 275 C CA -0.054 59.129 59.018 0.275 0.000 1.295 275 C CB 0.893 28.780 27.740 0.245 0.000 1.758 275 C HN 0.387 nan 8.230 nan 0.000 0.488 276 G N 2.831 111.666 108.800 0.058 0.000 2.659 276 G HA2 0.886 4.848 3.960 0.002 0.000 0.296 276 G HA3 0.886 4.848 3.960 0.002 0.000 0.296 276 G C -1.381 173.562 174.900 0.071 0.000 1.369 276 G CA 0.025 45.009 45.100 -0.193 0.000 0.937 276 G HN 1.563 nan 8.290 nan 0.000 0.485 277 A N 1.168 123.971 122.820 -0.029 0.000 2.343 277 A HA 0.763 5.084 4.320 0.002 0.000 0.308 277 A C -0.248 177.401 177.584 0.110 0.000 1.092 277 A CA -0.728 51.451 52.037 0.236 0.000 0.751 277 A CB 1.559 20.708 19.000 0.248 0.000 1.203 277 A HN 0.688 nan 8.150 nan 0.000 0.452 278 K N 1.854 122.210 120.400 -0.074 0.000 2.205 278 K HA 0.610 4.932 4.320 0.002 0.000 0.279 278 K C -0.336 176.166 176.600 -0.163 0.000 1.027 278 K CA -0.302 55.766 56.287 -0.366 0.000 0.932 278 K CB 0.891 32.956 32.500 -0.726 0.000 1.032 278 K HN 0.833 nan 8.250 nan 0.000 0.466 279 V N 0.847 120.650 119.914 -0.186 0.000 3.160 279 V HA 0.768 4.889 4.120 0.002 0.000 0.310 279 V C -0.704 175.269 176.094 -0.202 0.000 1.181 279 V CA -0.889 61.313 62.300 -0.162 0.000 1.047 279 V CB 1.549 33.325 31.823 -0.079 0.000 1.068 279 V HN 0.580 nan 8.190 nan 0.000 0.441 280 V N -1.423 118.375 119.914 -0.193 0.000 3.040 280 V HA 0.707 4.828 4.120 0.002 0.000 0.312 280 V C -0.245 175.794 176.094 -0.092 0.000 1.115 280 V CA -0.683 61.531 62.300 -0.143 0.000 0.998 280 V CB 1.633 33.389 31.823 -0.112 0.000 1.042 280 V HN 1.253 nan 8.190 nan 0.000 0.433 281 E N 2.066 122.230 120.200 -0.060 0.000 2.366 281 E HA 0.169 4.520 4.350 0.002 0.000 0.266 281 E C -0.158 176.436 176.600 -0.009 0.000 1.015 281 E CA -0.250 56.130 56.400 -0.034 0.000 0.906 281 E CB 0.695 30.378 29.700 -0.029 0.000 0.979 281 E HN 0.736 nan 8.360 nan 0.000 0.443 282 K N 3.610 124.011 120.400 0.002 0.000 2.258 282 K HA 0.100 4.421 4.320 0.002 0.000 0.284 282 K C 0.302 176.916 176.600 0.023 0.000 1.051 282 K CA 0.192 56.492 56.287 0.022 0.000 0.923 282 K CB 0.782 33.304 32.500 0.038 0.000 1.046 282 K HN 0.738 nan 8.250 nan 0.000 0.474 283 T N -0.038 114.530 114.554 0.023 0.000 2.987 283 T HA 0.044 4.395 4.350 0.002 0.000 0.248 283 T C 0.544 175.256 174.700 0.020 0.000 0.997 283 T CA -0.205 61.906 62.100 0.018 0.000 1.013 283 T CB -0.055 68.819 68.868 0.011 0.000 1.077 283 T HN 0.439 nan 8.240 nan 0.000 0.483 284 N N 2.873 121.586 118.700 0.022 0.000 2.414 284 N HA 0.330 5.072 4.740 0.002 0.000 0.256 284 N C -2.168 173.359 175.510 0.028 0.000 1.029 284 N CA -2.357 50.705 53.050 0.019 0.000 0.948 284 N CB 1.738 40.232 38.487 0.012 0.000 1.102 284 N HN -0.087 nan 8.380 nan 0.000 0.496 285 P HA -0.134 nan 4.420 nan 0.000 0.217 285 P C 0.605 177.930 177.300 0.043 0.000 1.151 285 P CA 1.746 64.873 63.100 0.044 0.000 0.849 285 P CB 0.131 31.855 31.700 0.040 0.000 0.787 286 T N -4.507 110.065 114.554 0.030 0.000 3.206 286 T HA 0.111 4.462 4.350 0.002 0.000 0.253 286 T C 0.462 175.166 174.700 0.007 0.000 1.042 286 T CA -0.437 61.680 62.100 0.027 0.000 0.931 286 T CB -0.660 68.220 68.868 0.020 0.000 1.029 286 T HN 0.105 nan 8.240 nan 0.000 0.564 287 E N 3.392 123.595 120.200 0.006 0.000 2.415 287 E HA 0.074 4.425 4.350 0.002 0.000 0.263 287 E C -1.961 174.598 176.600 -0.069 0.000 0.995 287 E CA -1.948 54.439 56.400 -0.020 0.000 0.915 287 E CB 0.703 30.411 29.700 0.014 0.000 0.951 287 E HN 0.173 nan 8.360 nan 0.000 0.449 288 P HA 0.033 nan 4.420 nan 0.000 0.226 288 P C -0.833 176.159 177.300 -0.515 0.000 1.783 288 P CA 0.051 62.779 63.100 -0.620 0.000 0.980 288 P CB -0.427 30.762 31.700 -0.851 0.000 1.967 289 V N -1.347 118.531 119.914 -0.061 0.000 2.709 289 V HA 0.850 4.971 4.120 0.002 0.000 0.308 289 V C 0.467 176.680 176.094 0.198 0.000 1.062 289 V CA -1.036 61.322 62.300 0.098 0.000 0.901 289 V CB 1.617 33.455 31.823 0.025 0.000 1.003 289 V HN 0.268 nan 8.190 nan 0.000 0.425 290 G N 1.934 110.848 108.800 0.190 0.000 2.636 290 G HA2 0.525 4.486 3.960 0.002 0.000 0.246 290 G HA3 0.525 4.486 3.960 0.002 0.000 0.246 290 G C -0.125 174.761 174.900 -0.022 0.000 1.216 290 G CA 0.167 45.282 45.100 0.026 0.000 0.854 290 G HN 1.922 nan 8.290 nan 0.000 0.572 291 V N -0.652 119.229 119.914 -0.055 0.000 2.495 291 V HA 0.661 4.782 4.120 0.002 0.000 0.298 291 V C 0.125 176.220 176.094 0.001 0.000 1.031 291 V CA -1.128 61.177 62.300 0.009 0.000 0.871 291 V CB 1.401 33.267 31.823 0.072 0.000 0.988 291 V HN 0.529 nan 8.190 nan 0.000 0.432 292 V N 4.524 124.491 119.914 0.087 0.000 2.686 292 V HA 0.621 4.742 4.120 0.002 0.000 0.295 292 V C 0.653 176.875 176.094 0.214 0.000 1.055 292 V CA 0.620 63.016 62.300 0.161 0.000 1.050 292 V CB 0.534 32.516 31.823 0.265 0.000 0.984 292 V HN 1.500 nan 8.190 nan 0.000 0.482 293 C N 3.790 123.220 119.300 0.217 0.000 3.260 293 C HA 0.870 5.331 4.460 0.002 0.000 0.366 293 C C -0.952 174.151 174.990 0.188 0.000 1.537 293 C CA -1.255 57.915 59.018 0.253 0.000 1.160 293 C CB 1.928 29.805 27.740 0.228 0.000 1.760 293 C HN 1.051 nan 8.230 nan 0.000 0.432 294 R N 0.388 120.945 120.500 0.095 0.000 2.725 294 R HA 0.892 5.233 4.340 0.002 0.000 0.277 294 R C -1.793 174.460 176.300 -0.079 0.000 0.987 294 R CA -0.674 55.365 56.100 -0.102 0.000 0.901 294 R CB 1.958 32.027 30.300 -0.386 0.000 1.207 294 R HN 1.707 nan 8.270 nan 0.000 0.463 295 V N 2.324 122.165 119.914 -0.121 0.000 2.577 295 V HA 0.320 4.441 4.120 0.002 0.000 0.303 295 V C -0.959 175.069 176.094 -0.111 0.000 1.042 295 V CA -0.307 61.940 62.300 -0.089 0.000 0.872 295 V CB 1.438 33.215 31.823 -0.076 0.000 0.998 295 V HN 0.958 nan 8.190 nan 0.000 0.423 296 D N 4.728 125.075 120.400 -0.088 0.000 2.723 296 D HA -0.169 4.472 4.640 0.002 0.000 0.236 296 D C 1.188 177.420 176.300 -0.114 0.000 1.138 296 D CA 1.868 55.819 54.000 -0.083 0.000 0.676 296 D CB -1.304 39.455 40.800 -0.068 0.000 1.069 296 D HN 1.855 nan 8.370 nan 0.000 0.430 297 G N -2.106 106.600 108.800 -0.156 0.000 2.189 297 G HA2 -0.338 3.623 3.960 0.002 0.000 0.267 297 G HA3 -0.338 3.623 3.960 0.002 0.000 0.267 297 G C 0.411 175.116 174.900 -0.325 0.000 0.975 297 G CA 0.469 45.440 45.100 -0.214 0.000 0.644 297 G HN 0.701 nan 8.290 nan 0.000 0.537 298 V N 1.106 120.845 119.914 -0.292 0.000 2.394 298 V HA 0.547 4.668 4.120 0.002 0.000 0.282 298 V C 0.415 176.302 176.094 -0.345 0.000 1.031 298 V CA -1.235 60.894 62.300 -0.285 0.000 0.881 298 V CB 0.843 32.548 31.823 -0.197 0.000 0.982 298 V HN 0.235 nan 8.190 nan 0.000 0.451 299 Y N 4.325 124.520 120.300 -0.175 0.000 2.397 299 Y HA 0.481 5.032 4.550 0.002 0.000 0.335 299 Y C 0.737 176.481 175.900 -0.260 0.000 1.213 299 Y CA 0.191 58.128 58.100 -0.273 0.000 1.391 299 Y CB 0.729 38.828 38.460 -0.601 0.000 1.293 299 Y HN 0.792 nan 8.280 nan 0.000 0.557 300 Q N -0.908 118.887 119.800 -0.009 0.000 2.869 300 Q HA 0.698 5.039 4.340 0.002 0.000 0.322 300 Q C -2.428 173.545 176.000 -0.045 0.000 0.832 300 Q CA -1.082 54.706 55.803 -0.025 0.000 0.791 300 Q CB 1.546 30.242 28.738 -0.071 0.000 1.412 300 Q HN 0.388 nan 8.270 nan 0.000 0.483 301 V N 0.921 120.683 119.914 -0.253 0.000 2.604 301 V HA 0.509 4.631 4.120 0.002 0.000 0.305 301 V C -0.748 175.115 176.094 -0.385 0.000 1.043 301 V CA -0.744 61.270 62.300 -0.476 0.000 0.888 301 V CB 1.887 32.925 31.823 -1.309 0.000 0.995 301 V HN 0.582 nan 8.190 nan 0.000 0.429 302 V N 3.490 123.250 119.914 -0.256 0.000 2.347 302 V HA 0.345 4.466 4.120 0.002 0.000 0.280 302 V C 0.224 176.230 176.094 -0.148 0.000 1.021 302 V CA -0.577 61.635 62.300 -0.148 0.000 0.847 302 V CB 1.420 33.150 31.823 -0.156 0.000 0.990 302 V HN 0.972 nan 8.190 nan 0.000 0.444 303 E N 3.322 123.477 120.200 -0.074 0.000 2.418 303 E HA -0.017 4.334 4.350 0.002 0.000 0.261 303 E C 0.803 177.323 176.600 -0.134 0.000 1.070 303 E CA 0.244 56.577 56.400 -0.111 0.000 0.931 303 E CB 0.406 30.055 29.700 -0.086 0.000 0.954 303 E HN 0.639 nan 8.360 nan 0.000 0.439 304 Y N 0.910 121.206 120.300 -0.006 0.000 2.256 304 Y HA -0.127 4.424 4.550 0.002 0.000 0.288 304 Y C 1.656 177.564 175.900 0.015 0.000 1.155 304 Y CA 1.084 59.184 58.100 -0.001 0.000 1.203 304 Y CB -0.766 37.699 38.460 0.008 0.000 0.980 304 Y HN 0.329 nan 8.280 nan 0.000 0.530 305 S N -0.494 114.975 115.700 -0.384 0.000 2.603 305 S HA 0.044 4.515 4.470 0.002 0.000 0.220 305 S C 0.858 175.414 174.600 -0.074 0.000 0.967 305 S CA 0.484 58.588 58.200 -0.160 0.000 0.920 305 S CB -0.227 62.813 63.200 -0.266 0.000 0.773 305 S HN 0.691 nan 8.310 nan 0.000 0.529 306 E N 0.235 120.395 120.200 -0.067 0.000 2.630 306 E HA 0.406 4.757 4.350 0.002 0.000 0.218 306 E C -0.228 176.344 176.600 -0.048 0.000 0.977 306 E CA -0.216 56.161 56.400 -0.037 0.000 1.038 306 E CB 0.703 30.408 29.700 0.008 0.000 1.051 306 E HN 0.518 nan 8.360 nan 0.000 0.487 307 I N 1.573 122.117 120.570 -0.042 0.000 2.577 307 I HA 0.198 4.369 4.170 0.002 0.000 0.305 307 I C 0.175 176.271 176.117 -0.034 0.000 0.986 307 I CA -0.577 60.688 61.300 -0.059 0.000 1.189 307 I CB 1.177 39.141 38.000 -0.061 0.000 1.355 307 I HN -0.032 nan 8.210 nan 0.000 0.476 308 S N 5.820 121.494 115.700 -0.044 0.000 2.632 308 S HA 0.179 4.650 4.470 0.002 0.000 0.271 308 S C 0.691 175.290 174.600 -0.001 0.000 1.260 308 S CA -0.710 57.477 58.200 -0.021 0.000 1.010 308 S CB 1.680 64.864 63.200 -0.026 0.000 0.965 308 S HN 0.713 nan 8.310 nan 0.000 0.534 309 L N 2.219 123.448 121.223 0.010 0.000 2.046 309 L HA 0.091 4.432 4.340 0.002 0.000 0.208 309 L C 2.627 179.514 176.870 0.029 0.000 1.077 309 L CA 2.376 57.230 54.840 0.022 0.000 0.747 309 L CB -1.606 40.465 42.059 0.021 0.000 0.896 309 L HN 0.967 nan 8.230 nan 0.000 0.432 310 A N -1.472 121.363 122.820 0.024 0.000 1.892 310 A HA -0.262 4.060 4.320 0.002 0.000 0.218 310 A C 2.280 179.899 177.584 0.057 0.000 1.188 310 A CA 2.601 54.658 52.037 0.034 0.000 0.631 310 A CB -1.296 17.719 19.000 0.025 0.000 0.822 310 A HN 0.525 nan 8.150 nan 0.000 0.447 311 T N 0.104 114.685 114.554 0.044 0.000 2.737 311 T HA 0.043 4.395 4.350 0.002 0.000 0.265 311 T C 2.226 177.005 174.700 0.132 0.000 1.038 311 T CA 1.521 63.663 62.100 0.071 0.000 1.144 311 T CB -0.467 68.358 68.868 -0.072 0.000 0.866 311 T HN 0.612 nan 8.240 nan 0.000 0.434 312 A N 1.337 124.200 122.820 0.072 0.000 1.972 312 A HA -0.119 4.202 4.320 0.002 0.000 0.219 312 A C 2.163 179.813 177.584 0.110 0.000 1.169 312 A CA 1.230 53.325 52.037 0.096 0.000 0.635 312 A CB -0.466 18.570 19.000 0.060 0.000 0.810 312 A HN 0.548 nan 8.150 nan 0.000 0.446 313 Q N -0.623 119.229 119.800 0.086 0.000 2.392 313 Q HA 0.091 4.432 4.340 0.002 0.000 0.203 313 Q C 0.153 176.195 176.000 0.070 0.000 0.917 313 Q CA -0.100 55.743 55.803 0.067 0.000 0.939 313 Q CB 0.145 28.910 28.738 0.046 0.000 1.063 313 Q HN 0.467 nan 8.270 nan 0.000 0.516 314 K N 1.967 122.429 120.400 0.102 0.000 2.484 314 K HA 0.015 4.336 4.320 0.002 0.000 0.280 314 K C -0.194 176.429 176.600 0.038 0.000 1.013 314 K CA 0.542 56.879 56.287 0.084 0.000 1.029 314 K CB 0.461 33.048 32.500 0.145 0.000 0.902 314 K HN 0.033 nan 8.250 nan 0.000 0.481 315 R N 1.325 121.830 120.500 0.008 0.000 2.732 315 R HA 0.249 4.590 4.340 0.002 0.000 0.278 315 R C -0.062 176.215 176.300 -0.038 0.000 0.976 315 R CA -0.693 55.398 56.100 -0.015 0.000 0.963 315 R CB 1.812 32.108 30.300 -0.005 0.000 1.150 315 R HN 0.732 nan 8.270 nan 0.000 0.478 316 S N -0.465 115.202 115.700 -0.054 0.000 2.730 316 S HA 0.079 4.551 4.470 0.002 0.000 0.284 316 S C 1.332 175.910 174.600 -0.036 0.000 1.153 316 S CA -0.332 57.833 58.200 -0.059 0.000 0.995 316 S CB 1.487 64.639 63.200 -0.080 0.000 1.058 316 S HN 0.686 nan 8.310 nan 0.000 0.552 317 S N 0.441 116.122 115.700 -0.031 0.000 2.420 317 S HA -0.218 4.253 4.470 0.002 0.000 0.237 317 S C 1.153 175.742 174.600 -0.018 0.000 1.023 317 S CA 1.454 59.641 58.200 -0.021 0.000 0.991 317 S CB -1.084 62.105 63.200 -0.018 0.000 0.792 317 S HN 0.895 nan 8.310 nan 0.000 0.488 318 D N 0.430 120.817 120.400 -0.022 0.000 2.363 318 D HA 0.230 4.871 4.640 0.002 0.000 0.220 318 D C 1.512 177.802 176.300 -0.016 0.000 0.994 318 D CA 0.758 54.748 54.000 -0.018 0.000 0.890 318 D CB -0.811 39.977 40.800 -0.020 0.000 0.906 318 D HN 0.676 nan 8.370 nan 0.000 0.530 319 G N -0.050 108.740 108.800 -0.017 0.000 2.194 319 G HA2 -0.294 3.668 3.960 0.002 0.000 0.236 319 G HA3 -0.294 3.668 3.960 0.002 0.000 0.236 319 G C 0.365 175.257 174.900 -0.014 0.000 0.987 319 G CA -0.061 45.031 45.100 -0.013 0.000 0.635 319 G HN 0.474 nan 8.290 nan 0.000 0.520 320 R N -0.207 120.280 120.500 -0.021 0.000 2.543 320 R HA 0.673 5.015 4.340 0.002 0.000 0.268 320 R C 0.820 177.104 176.300 -0.026 0.000 1.067 320 R CA -0.740 55.347 56.100 -0.021 0.000 1.142 320 R CB 0.664 30.948 30.300 -0.027 0.000 1.110 320 R HN 0.208 nan 8.270 nan 0.000 0.549 321 L N 2.150 123.364 121.223 -0.014 0.000 2.456 321 L HA -0.056 4.286 4.340 0.002 0.000 0.272 321 L C 1.619 178.448 176.870 -0.069 0.000 1.189 321 L CA -0.141 54.694 54.840 -0.008 0.000 0.846 321 L CB 0.316 42.396 42.059 0.035 0.000 1.111 321 L HN 0.579 nan 8.230 nan 0.000 0.475 322 L N 3.483 124.628 121.223 -0.130 0.000 2.042 322 L HA -0.102 4.239 4.340 0.002 0.000 0.210 322 L C 0.573 177.106 176.870 -0.561 0.000 1.076 322 L CA 1.767 56.387 54.840 -0.366 0.000 0.749 322 L CB -0.219 41.548 42.059 -0.487 0.000 0.893 322 L HN 0.333 nan 8.230 nan 0.000 0.432 323 F N 1.042 121.000 119.950 0.013 0.000 2.300 323 F HA 0.283 4.812 4.527 0.002 0.000 0.364 323 F C 0.847 176.654 175.800 0.011 0.000 1.090 323 F CA -0.603 57.406 58.000 0.016 0.000 1.200 323 F CB -0.135 38.874 39.000 0.015 0.000 1.493 323 F HN 0.207 nan 8.300 nan 0.000 0.518 324 N N 1.071 119.818 118.700 0.078 0.000 2.204 324 N HA 0.165 4.906 4.740 0.002 0.000 0.219 324 N C -0.038 175.494 175.510 0.037 0.000 1.151 324 N CA -0.160 52.919 53.050 0.049 0.000 0.867 324 N CB 0.464 38.953 38.487 0.004 0.000 1.043 324 N HN 0.268 nan 8.380 nan 0.000 0.516 325 A N 0.591 123.452 122.820 0.067 0.000 2.798 325 A HA 0.641 4.962 4.320 0.002 0.000 0.316 325 A C 0.682 178.288 177.584 0.037 0.000 1.506 325 A CA -0.494 51.570 52.037 0.045 0.000 1.162 325 A CB -0.827 18.225 19.000 0.088 0.000 1.138 325 A HN 0.292 nan 8.150 nan 0.000 0.532 326 G N 1.917 110.710 108.800 -0.012 0.000 2.372 326 G HA2 0.298 4.260 3.960 0.002 0.000 0.286 326 G HA3 0.298 4.260 3.960 0.002 0.000 0.286 326 G C 0.149 174.990 174.900 -0.098 0.000 1.153 326 G CA -0.466 44.608 45.100 -0.043 0.000 0.985 326 G HN 0.736 nan 8.290 nan 0.000 0.429 327 N N 1.951 120.629 118.700 -0.037 0.000 2.411 327 N HA -0.019 4.722 4.740 0.002 0.000 0.265 327 N C 1.201 176.636 175.510 -0.124 0.000 1.266 327 N CA -0.055 53.001 53.050 0.011 0.000 0.889 327 N CB 0.279 38.815 38.487 0.081 0.000 1.069 327 N HN 0.528 nan 8.380 nan 0.000 0.476 328 I N 1.108 121.558 120.570 -0.199 0.000 3.889 328 I HA 0.442 4.614 4.170 0.002 0.000 0.332 328 I C 0.657 176.726 176.117 -0.080 0.000 1.493 328 I CA -0.512 60.542 61.300 -0.410 0.000 1.158 328 I CB -0.318 37.231 38.000 -0.752 0.000 1.117 328 I HN 0.502 nan 8.210 nan 0.000 0.411 329 A N 1.470 124.318 122.820 0.046 0.000 2.791 329 A HA -0.249 4.072 4.320 0.002 0.000 0.292 329 A C -0.363 177.073 177.584 -0.246 0.000 1.487 329 A CA 0.793 52.798 52.037 -0.053 0.000 0.760 329 A CB -2.654 16.384 19.000 0.063 0.000 1.031 329 A HN 0.791 nan 8.150 nan 0.000 0.503 330 N N -0.192 118.369 118.700 -0.231 0.000 2.540 330 N HA 0.452 5.193 4.740 0.002 0.000 0.275 330 N C -0.917 174.685 175.510 0.153 0.000 1.053 330 N CA -0.298 52.758 53.050 0.011 0.000 0.876 330 N CB 1.055 39.605 38.487 0.104 0.000 1.284 330 N HN 0.709 nan 8.380 nan 0.000 0.518 331 H N 0.583 119.913 119.070 0.432 0.000 2.679 331 H HA 0.369 4.926 4.556 0.002 0.000 0.367 331 H C -1.203 174.247 175.328 0.204 0.000 1.162 331 H CA -0.801 55.431 56.048 0.306 0.000 1.181 331 H CB 2.314 32.090 29.762 0.023 0.000 1.693 331 H HN 0.378 nan 8.280 nan 0.000 0.538 332 F N 2.963 122.906 119.950 -0.012 0.000 2.426 332 F HA 0.500 5.028 4.527 0.002 0.000 0.348 332 F C -1.745 173.913 175.800 -0.237 0.000 1.124 332 F CA -0.649 57.203 58.000 -0.247 0.000 1.008 332 F CB 0.491 39.124 39.000 -0.611 0.000 1.139 332 F HN 0.393 nan 8.300 nan 0.000 0.452 333 F N 3.511 123.228 119.950 -0.388 0.000 2.556 333 F HA 0.410 4.938 4.527 0.002 0.000 0.314 333 F C 0.230 175.637 175.800 -0.656 0.000 1.106 333 F CA -1.140 56.729 58.000 -0.219 0.000 0.911 333 F CB 2.376 41.435 39.000 0.099 0.000 1.190 333 F HN 0.524 nan 8.300 nan 0.000 0.448 334 T N -1.202 113.162 114.554 -0.316 0.000 2.874 334 T HA 0.281 4.633 4.350 0.002 0.000 0.281 334 T C 0.884 175.333 174.700 -0.417 0.000 0.994 334 T CA -0.770 60.913 62.100 -0.695 0.000 1.015 334 T CB 1.696 70.001 68.868 -0.938 0.000 1.028 334 T HN 0.338 nan 8.240 nan 0.000 0.523 335 V N 2.174 121.771 119.914 -0.527 0.000 2.358 335 V HA -0.025 4.096 4.120 0.002 0.000 0.246 335 V C -0.591 175.389 176.094 -0.188 0.000 1.047 335 V CA 1.317 63.454 62.300 -0.272 0.000 1.035 335 V CB -1.579 30.133 31.823 -0.185 0.000 0.658 335 V HN 0.746 nan 8.190 nan 0.000 0.452 336 P HA -0.173 nan 4.420 nan 0.000 0.217 336 P C 1.727 179.049 177.300 0.037 0.000 1.150 336 P CA 1.320 64.388 63.100 -0.054 0.000 0.832 336 P CB -0.122 31.576 31.700 -0.004 0.000 0.787 337 F N 0.271 120.141 119.950 -0.132 0.000 2.102 337 F HA -0.142 4.386 4.527 0.002 0.000 0.298 337 F C 1.912 177.668 175.800 -0.073 0.000 1.105 337 F CA 1.339 59.308 58.000 -0.051 0.000 1.239 337 F CB -1.167 37.815 39.000 -0.031 0.000 0.991 337 F HN -0.241 nan 8.300 nan 0.000 0.474 338 L N 0.069 121.149 121.223 -0.238 0.000 2.083 338 L HA -0.226 4.115 4.340 0.002 0.000 0.209 338 L C 2.761 179.492 176.870 -0.232 0.000 1.083 338 L CA 1.704 56.346 54.840 -0.330 0.000 0.752 338 L CB -0.667 41.282 42.059 -0.183 0.000 0.899 338 L HN 0.139 nan 8.230 nan 0.000 0.433 339 R N 0.272 120.683 120.500 -0.148 0.000 2.083 339 R HA -0.203 4.138 4.340 0.002 0.000 0.237 339 R C 1.845 178.058 176.300 -0.145 0.000 1.137 339 R CA 2.075 58.103 56.100 -0.120 0.000 0.951 339 R CB -0.206 30.049 30.300 -0.075 0.000 0.851 339 R HN 0.269 nan 8.270 nan 0.000 0.434 340 D N -0.054 120.271 120.400 -0.125 0.000 2.149 340 D HA -0.129 4.512 4.640 0.002 0.000 0.198 340 D C 1.949 178.072 176.300 -0.295 0.000 0.990 340 D CA 1.256 55.149 54.000 -0.178 0.000 0.839 340 D CB -0.117 40.697 40.800 0.023 0.000 0.948 340 D HN 0.120 nan 8.370 nan 0.000 0.460 341 V N 0.452 120.216 119.914 -0.250 0.000 2.270 341 V HA -0.197 3.924 4.120 0.002 0.000 0.245 341 V C 2.633 178.564 176.094 -0.272 0.000 1.043 341 V CA 1.049 63.173 62.300 -0.293 0.000 1.014 341 V CB -0.440 30.981 31.823 -0.671 0.000 0.645 341 V HN 0.062 nan 8.190 nan 0.000 0.447 342 V N 0.694 120.483 119.914 -0.208 0.000 2.407 342 V HA -0.212 3.909 4.120 0.002 0.000 0.248 342 V C 1.758 177.774 176.094 -0.129 0.000 1.055 342 V CA 2.288 64.519 62.300 -0.116 0.000 1.049 342 V CB -0.860 30.915 31.823 -0.080 0.000 0.662 342 V HN 0.617 nan 8.190 nan 0.000 0.455 343 N N -1.691 116.905 118.700 -0.173 0.000 2.236 343 N HA 0.178 4.919 4.740 0.002 0.000 0.196 343 N C 0.662 176.031 175.510 -0.235 0.000 1.114 343 N CA 0.270 53.219 53.050 -0.168 0.000 0.859 343 N CB 1.328 39.729 38.487 -0.143 0.000 0.982 343 N HN 0.328 nan 8.380 nan 0.000 0.493 344 V N -1.625 118.079 119.914 -0.350 0.000 4.138 344 V HA 0.054 4.175 4.120 0.002 0.000 0.171 344 V C 0.853 176.656 176.094 -0.484 0.000 1.315 344 V CA 0.064 62.073 62.300 -0.485 0.000 1.238 344 V CB -0.525 30.820 31.823 -0.797 0.000 1.358 344 V HN 0.008 nan 8.190 nan 0.000 0.587 345 Y N 0.977 121.031 120.300 -0.410 0.000 2.242 345 Y HA -0.124 4.427 4.550 0.002 0.000 0.291 345 Y C 2.672 178.326 175.900 -0.410 0.000 1.137 345 Y CA 1.352 59.075 58.100 -0.630 0.000 1.181 345 Y CB -0.097 37.724 38.460 -1.065 0.000 0.989 345 Y HN 0.249 nan 8.280 nan 0.000 0.527 346 E N 1.011 121.116 120.200 -0.158 0.000 2.149 346 E HA -0.255 4.097 4.350 0.002 0.000 0.215 346 E C -0.762 175.816 176.600 -0.036 0.000 1.055 346 E CA 2.192 58.539 56.400 -0.089 0.000 0.870 346 E CB -1.395 28.281 29.700 -0.040 0.000 0.764 346 E HN 0.320 nan 8.360 nan 0.000 0.463 347 P HA -0.090 nan 4.420 nan 0.000 0.225 347 P C 0.805 178.128 177.300 0.039 0.000 1.148 347 P CA 1.234 64.349 63.100 0.024 0.000 0.779 347 P CB -0.152 31.562 31.700 0.023 0.000 0.780 348 Q N -1.108 118.710 119.800 0.030 0.000 2.444 348 Q HA 0.094 4.435 4.340 0.002 0.000 0.206 348 Q C 0.339 176.411 176.000 0.119 0.000 0.948 348 Q CA 0.052 55.918 55.803 0.105 0.000 0.946 348 Q CB -0.104 28.742 28.738 0.182 0.000 1.027 348 Q HN 0.340 nan 8.270 nan 0.000 0.513 349 L N 2.049 123.303 121.223 0.052 0.000 2.360 349 L HA 0.109 4.450 4.340 0.002 0.000 0.276 349 L C 0.188 176.974 176.870 -0.141 0.000 1.121 349 L CA 0.005 54.846 54.840 0.002 0.000 0.845 349 L CB 0.628 42.681 42.059 -0.010 0.000 1.143 349 L HN 0.094 nan 8.230 nan 0.000 0.452 350 Q N 2.124 121.825 119.800 -0.166 0.000 2.214 350 Q HA 0.340 4.682 4.340 0.002 0.000 0.251 350 Q C -0.728 175.042 176.000 -0.384 0.000 0.936 350 Q CA -0.862 54.779 55.803 -0.270 0.000 0.894 350 Q CB 1.610 30.209 28.738 -0.231 0.000 1.252 350 Q HN 0.428 nan 8.270 nan 0.000 0.448 351 H N 1.111 120.012 119.070 -0.282 0.000 2.610 351 H HA 0.151 4.708 4.556 0.002 0.000 0.336 351 H C -0.663 174.427 175.328 -0.397 0.000 1.087 351 H CA 0.110 55.980 56.048 -0.297 0.000 1.405 351 H CB 0.629 30.234 29.762 -0.262 0.000 1.460 351 H HN 0.494 nan 8.280 nan 0.000 0.538 352 H N 0.919 119.808 119.070 -0.301 0.000 2.473 352 H HA 0.279 4.836 4.556 0.002 0.000 0.327 352 H C -0.279 174.951 175.328 -0.163 0.000 1.105 352 H CA -0.416 55.422 56.048 -0.351 0.000 1.280 352 H CB 0.993 30.272 29.762 -0.806 0.000 1.450 352 H HN 0.205 nan 8.280 nan 0.000 0.492 353 V N 2.474 122.393 119.914 0.008 0.000 2.417 353 V HA 0.657 4.778 4.120 0.002 0.000 0.291 353 V C 0.000 176.176 176.094 0.136 0.000 1.024 353 V CA -0.785 61.575 62.300 0.099 0.000 0.861 353 V CB 1.321 33.280 31.823 0.227 0.000 0.985 353 V HN 0.934 nan 8.190 nan 0.000 0.436 354 A N 4.085 126.993 122.820 0.147 0.000 2.342 354 A HA 0.721 5.042 4.320 0.002 0.000 0.323 354 A C -0.488 177.213 177.584 0.196 0.000 1.125 354 A CA -0.696 51.434 52.037 0.155 0.000 0.785 354 A CB 1.148 20.226 19.000 0.129 0.000 1.221 354 A HN 0.798 nan 8.150 nan 0.000 0.463 355 Q N 1.660 121.594 119.800 0.225 0.000 2.349 355 Q HA 0.344 4.685 4.340 0.002 0.000 0.254 355 Q C -0.455 175.664 176.000 0.199 0.000 0.980 355 Q CA 0.231 56.203 55.803 0.281 0.000 0.924 355 Q CB 1.134 30.058 28.738 0.309 0.000 1.209 355 Q HN 0.595 nan 8.270 nan 0.000 0.445 356 K N 1.615 122.108 120.400 0.155 0.000 2.306 356 K HA 0.443 4.764 4.320 0.002 0.000 0.236 356 K C -0.708 175.938 176.600 0.076 0.000 1.013 356 K CA -0.971 55.377 56.287 0.103 0.000 0.857 356 K CB 1.604 34.148 32.500 0.074 0.000 1.214 356 K HN 0.246 nan 8.250 nan 0.000 0.449 357 K N 1.978 122.420 120.400 0.071 0.000 2.299 357 K HA 0.304 4.625 4.320 0.002 0.000 0.268 357 K C -0.826 175.810 176.600 0.061 0.000 1.075 357 K CA -0.354 55.973 56.287 0.067 0.000 0.936 357 K CB 0.350 32.897 32.500 0.078 0.000 1.228 357 K HN 0.273 nan 8.250 nan 0.000 0.454 358 I N 6.053 126.649 120.570 0.043 0.000 2.312 358 I HA 0.163 4.334 4.170 0.002 0.000 0.290 358 I C -1.940 174.276 176.117 0.165 0.000 1.008 358 I CA -2.410 58.927 61.300 0.063 0.000 1.226 358 I CB 0.877 38.880 38.000 0.006 0.000 1.371 358 I HN 0.380 nan 8.210 nan 0.000 0.468 359 P HA 0.059 nan 4.420 nan 0.000 0.265 359 P C -1.334 176.105 177.300 0.230 0.000 1.193 359 P CA 0.329 63.525 63.100 0.160 0.000 0.765 359 P CB 0.284 32.020 31.700 0.061 0.000 0.823 360 Y N 0.159 120.462 120.300 0.004 0.000 2.705 360 Y HA 0.632 5.183 4.550 0.002 0.000 0.332 360 Y C -1.589 174.318 175.900 0.012 0.000 1.221 360 Y CA -1.613 56.495 58.100 0.013 0.000 1.059 360 Y CB 0.846 39.318 38.460 0.021 0.000 1.298 360 Y HN 0.216 nan 8.280 nan 0.000 0.459 361 V N 3.210 123.132 119.914 0.013 0.000 2.394 361 V HA 0.394 4.516 4.120 0.002 0.000 0.282 361 V C -0.818 175.351 176.094 0.126 0.000 1.031 361 V CA -0.359 61.887 62.300 -0.090 0.000 0.881 361 V CB 0.690 32.440 31.823 -0.121 0.000 0.982 361 V HN 0.939 nan 8.190 nan 0.000 0.451 362 D N 3.668 124.078 120.400 0.016 0.000 2.433 362 D HA 0.137 4.778 4.640 0.002 0.000 0.255 362 D C 1.299 177.803 176.300 0.341 0.000 1.226 362 D CA 0.393 54.539 54.000 0.243 0.000 1.015 362 D CB 0.698 41.580 40.800 0.137 0.000 1.091 362 D HN 0.593 nan 8.370 nan 0.000 0.527 363 T N -2.918 111.797 114.554 0.267 0.000 2.929 363 T HA -0.189 4.163 4.350 0.002 0.000 0.271 363 T C 1.207 176.046 174.700 0.233 0.000 1.085 363 T CA 0.924 63.148 62.100 0.205 0.000 1.125 363 T CB -0.281 68.639 68.868 0.087 0.000 0.874 363 T HN 0.356 nan 8.240 nan 0.000 0.494 364 Q N 0.826 120.743 119.800 0.196 0.000 2.403 364 Q HA 0.278 4.620 4.340 0.002 0.000 0.203 364 Q C 1.822 177.919 176.000 0.161 0.000 0.932 364 Q CA 0.668 56.560 55.803 0.148 0.000 0.945 364 Q CB -0.037 28.749 28.738 0.079 0.000 1.045 364 Q HN 0.792 nan 8.270 nan 0.000 0.511 365 G N 1.928 110.859 108.800 0.219 0.000 2.143 365 G HA2 -0.271 3.690 3.960 0.002 0.000 0.249 365 G HA3 -0.271 3.690 3.960 0.002 0.000 0.249 365 G C -0.041 174.792 174.900 -0.112 0.000 0.981 365 G CA 0.424 45.513 45.100 -0.018 0.000 0.665 365 G HN 0.476 nan 8.290 nan 0.000 0.528 366 Q N 0.197 119.956 119.800 -0.070 0.000 2.293 366 Q HA 0.725 5.067 4.340 0.002 0.000 0.261 366 Q C 0.212 176.104 176.000 -0.180 0.000 0.960 366 Q CA -1.150 54.588 55.803 -0.109 0.000 0.882 366 Q CB 1.790 30.484 28.738 -0.073 0.000 1.275 366 Q HN 0.327 nan 8.270 nan 0.000 0.445 367 L N 3.851 124.968 121.223 -0.176 0.000 2.462 367 L HA 0.264 4.605 4.340 0.002 0.000 0.272 367 L C -0.163 176.560 176.870 -0.245 0.000 1.166 367 L CA 0.274 54.988 54.840 -0.210 0.000 0.880 367 L CB -0.232 41.743 42.059 -0.139 0.000 1.142 367 L HN 0.589 nan 8.230 nan 0.000 0.473 368 I N 3.319 123.647 120.570 -0.402 0.000 2.608 368 I HA 0.332 4.503 4.170 0.002 0.000 0.295 368 I C -0.468 175.532 176.117 -0.195 0.000 1.049 368 I CA -0.981 60.109 61.300 -0.351 0.000 1.063 368 I CB 2.151 39.824 38.000 -0.546 0.000 1.248 368 I HN 0.375 nan 8.210 nan 0.000 0.424 369 K N 6.004 126.372 120.400 -0.052 0.000 2.347 369 K HA 0.377 4.698 4.320 0.002 0.000 0.262 369 K C -2.361 174.291 176.600 0.086 0.000 1.052 369 K CA -1.765 54.541 56.287 0.032 0.000 0.946 369 K CB 0.478 32.987 32.500 0.016 0.000 1.220 369 K HN 0.255 nan 8.250 nan 0.000 0.450 370 P HA -0.027 nan 4.420 nan 0.000 0.264 370 P C -0.428 176.938 177.300 0.110 0.000 1.183 370 P CA 0.096 63.305 63.100 0.182 0.000 0.763 370 P CB 0.983 32.802 31.700 0.198 0.000 0.807 371 D N 1.693 122.151 120.400 0.097 0.000 2.249 371 D HA 0.005 4.647 4.640 0.002 0.000 0.205 371 D C 0.431 176.777 176.300 0.076 0.000 0.962 371 D CA 1.227 55.271 54.000 0.073 0.000 0.860 371 D CB 0.491 41.328 40.800 0.062 0.000 0.955 371 D HN 0.509 nan 8.370 nan 0.000 0.505 372 K N 0.729 121.182 120.400 0.089 0.000 2.375 372 K HA 0.461 4.782 4.320 0.002 0.000 0.249 372 K C -2.795 173.876 176.600 0.120 0.000 0.942 372 K CA -2.012 54.333 56.287 0.097 0.000 0.806 372 K CB 2.013 34.570 32.500 0.095 0.000 1.227 372 K HN -0.296 nan 8.250 nan 0.000 0.430 373 P HA -0.049 nan 4.420 nan 0.000 0.262 373 P C -0.383 177.056 177.300 0.231 0.000 1.182 373 P CA 0.181 63.398 63.100 0.195 0.000 0.761 373 P CB 0.342 32.203 31.700 0.268 0.000 0.795 374 N N 1.639 120.333 118.700 -0.010 0.000 2.170 374 N HA 0.240 4.982 4.740 0.002 0.000 0.222 374 N C 0.361 175.350 175.510 -0.867 0.000 1.218 374 N CA -0.225 52.653 53.050 -0.287 0.000 0.889 374 N CB 0.805 39.119 38.487 -0.289 0.000 1.083 374 N HN 0.455 nan 8.380 nan 0.000 0.520 375 G N 0.411 108.687 108.800 -0.873 0.000 2.489 375 G HA2 0.506 4.468 3.960 0.002 0.000 0.305 375 G HA3 0.506 4.468 3.960 0.002 0.000 0.305 375 G C -1.729 172.998 174.900 -0.288 0.000 1.311 375 G CA -0.799 43.789 45.100 -0.853 0.000 0.813 375 G HN 0.266 nan 8.290 nan 0.000 0.480 376 I N -2.466 118.046 120.570 -0.097 0.000 3.002 376 I HA 0.892 5.064 4.170 0.002 0.000 0.310 376 I C -0.906 175.244 176.117 0.055 0.000 1.087 376 I CA -1.199 60.151 61.300 0.083 0.000 1.017 376 I CB 2.635 40.738 38.000 0.172 0.000 1.226 376 I HN 0.544 nan 8.210 nan 0.000 0.443 377 K N 4.916 125.360 120.400 0.073 0.000 2.376 377 K HA 0.595 4.916 4.320 0.002 0.000 0.257 377 K C -1.536 175.081 176.600 0.029 0.000 0.939 377 K CA -0.705 55.608 56.287 0.045 0.000 0.809 377 K CB 1.862 34.395 32.500 0.055 0.000 1.121 377 K HN 0.789 nan 8.250 nan 0.000 0.425 378 M N 3.798 123.378 119.600 -0.034 0.000 2.300 378 M HA 0.284 4.765 4.480 0.002 0.000 0.348 378 M C -0.673 175.595 176.300 -0.054 0.000 1.151 378 M CA -0.300 54.930 55.300 -0.116 0.000 1.046 378 M CB 1.677 34.036 32.600 -0.402 0.000 1.647 378 M HN 0.620 nan 8.290 nan 0.000 0.451 379 E N 1.665 121.881 120.200 0.028 0.000 2.375 379 E HA 0.505 4.856 4.350 0.002 0.000 0.280 379 E C -1.847 174.737 176.600 -0.026 0.000 0.972 379 E CA -1.165 55.274 56.400 0.065 0.000 0.782 379 E CB 2.064 31.817 29.700 0.087 0.000 1.229 379 E HN 0.494 nan 8.360 nan 0.000 0.439 380 K N 1.242 121.639 120.400 -0.004 0.000 2.095 380 K HA 0.500 4.822 4.320 0.002 0.000 0.252 380 K C -1.025 175.582 176.600 0.012 0.000 0.977 380 K CA -0.788 55.440 56.287 -0.099 0.000 0.900 380 K CB 0.920 33.368 32.500 -0.086 0.000 1.060 380 K HN 0.270 nan 8.250 nan 0.000 0.449 381 F N 0.788 120.631 119.950 -0.178 0.000 2.469 381 F HA 0.167 4.695 4.527 0.002 0.000 0.332 381 F C 1.213 176.774 175.800 -0.399 0.000 1.103 381 F CA -1.451 56.246 58.000 -0.504 0.000 0.979 381 F CB 1.321 39.693 39.000 -1.048 0.000 1.137 381 F HN 0.239 nan 8.300 nan 0.000 0.463 382 V N 4.587 124.401 119.914 -0.167 0.000 2.594 382 V HA -0.261 3.861 4.120 0.002 0.000 0.253 382 V C 1.735 177.895 176.094 0.111 0.000 1.069 382 V CA 1.994 64.347 62.300 0.088 0.000 1.082 382 V CB -0.724 31.191 31.823 0.154 0.000 0.680 382 V HN 0.623 nan 8.190 nan 0.000 0.469 383 F N -0.617 119.313 119.950 -0.033 0.000 2.811 383 F HA 0.316 4.844 4.527 0.002 0.000 0.301 383 F C 1.385 176.810 175.800 -0.624 0.000 1.151 383 F CA -0.287 57.287 58.000 -0.711 0.000 1.412 383 F CB -1.265 37.122 39.000 -1.023 0.000 1.113 383 F HN 0.150 nan 8.300 nan 0.000 0.579 384 D N 1.730 122.147 120.400 0.028 0.000 2.378 384 D HA -0.035 4.606 4.640 0.002 0.000 0.227 384 D C 2.056 178.368 176.300 0.020 0.000 1.012 384 D CA 0.962 55.015 54.000 0.087 0.000 0.905 384 D CB -0.248 40.632 40.800 0.134 0.000 0.895 384 D HN 0.656 nan 8.370 nan 0.000 0.532 385 I N -3.944 116.647 120.570 0.034 0.000 3.883 385 I HA 0.046 4.218 4.170 0.002 0.000 0.326 385 I C 1.309 177.647 176.117 0.368 0.000 1.283 385 I CA -0.088 61.291 61.300 0.132 0.000 1.161 385 I CB -0.095 37.774 38.000 -0.218 0.000 1.012 385 I HN -0.304 nan 8.210 nan 0.000 0.421 386 F N 3.166 123.192 119.950 0.127 0.000 2.120 386 F HA -0.242 4.286 4.527 0.002 0.000 0.300 386 F C 2.847 178.556 175.800 -0.152 0.000 1.095 386 F CA 1.733 59.741 58.000 0.014 0.000 1.249 386 F CB -1.321 37.519 39.000 -0.268 0.000 0.995 386 F HN 0.431 nan 8.300 nan 0.000 0.480 387 Q N -0.557 119.179 119.800 -0.106 0.000 2.297 387 Q HA -0.222 4.119 4.340 0.002 0.000 0.208 387 Q C 1.548 177.296 176.000 -0.421 0.000 0.981 387 Q CA 1.863 57.453 55.803 -0.354 0.000 0.876 387 Q CB -1.027 27.349 28.738 -0.604 0.000 0.921 387 Q HN 0.417 nan 8.270 nan 0.000 0.446 388 F N 1.051 120.964 119.950 -0.061 0.000 2.765 388 F HA 0.389 4.917 4.527 0.002 0.000 0.302 388 F C 1.150 176.910 175.800 -0.067 0.000 1.111 388 F CA -0.441 57.415 58.000 -0.240 0.000 1.359 388 F CB 0.335 38.865 39.000 -0.784 0.000 1.097 388 F HN 0.071 nan 8.300 nan 0.000 0.577 389 A N 0.817 123.666 122.820 0.049 0.000 2.445 389 A HA 0.134 4.455 4.320 0.002 0.000 0.242 389 A C 1.323 178.834 177.584 -0.122 0.000 1.075 389 A CA -0.246 51.584 52.037 -0.345 0.000 0.777 389 A CB 0.492 19.339 19.000 -0.255 0.000 1.013 389 A HN 0.365 nan 8.150 nan 0.000 0.493 390 K N -0.195 120.110 120.400 -0.159 0.000 2.243 390 K HA 0.006 4.327 4.320 0.002 0.000 0.201 390 K C 0.040 176.643 176.600 0.004 0.000 1.051 390 K CA 1.101 57.378 56.287 -0.017 0.000 0.970 390 K CB 0.110 32.616 32.500 0.011 0.000 0.755 390 K HN 0.509 nan 8.250 nan 0.000 0.465 391 K N 0.579 120.956 120.400 -0.038 0.000 2.761 391 K HA 0.148 4.469 4.320 0.002 0.000 0.257 391 K C -1.980 174.599 176.600 -0.035 0.000 1.053 391 K CA -0.384 55.896 56.287 -0.011 0.000 1.035 391 K CB 0.230 32.713 32.500 -0.029 0.000 1.267 391 K HN -0.140 nan 8.250 nan 0.000 0.505 392 F N 5.191 125.026 119.950 -0.192 0.000 2.404 392 F HA 0.663 5.192 4.527 0.002 0.000 0.339 392 F C -0.442 175.141 175.800 -0.360 0.000 1.105 392 F CA -0.441 57.377 58.000 -0.304 0.000 1.087 392 F CB 0.938 39.710 39.000 -0.381 0.000 1.143 392 F HN 0.263 nan 8.300 nan 0.000 0.491 393 V N 3.832 123.097 119.914 -1.081 0.000 3.102 393 V HA 0.850 4.971 4.120 0.002 0.000 0.312 393 V C -1.403 174.200 176.094 -0.818 0.000 1.135 393 V CA -0.997 60.871 62.300 -0.720 0.000 1.022 393 V CB 1.390 33.004 31.823 -0.347 0.000 1.056 393 V HN 0.594 nan 8.190 nan 0.000 0.436 394 V N 2.125 121.851 119.914 -0.313 0.000 2.604 394 V HA 0.547 4.668 4.120 0.002 0.000 0.305 394 V C -1.392 174.672 176.094 -0.049 0.000 1.043 394 V CA -0.461 61.731 62.300 -0.179 0.000 0.888 394 V CB 1.770 33.530 31.823 -0.105 0.000 0.995 394 V HN 0.945 nan 8.190 nan 0.000 0.429 395 Y N 3.084 123.224 120.300 -0.266 0.000 2.327 395 Y HA 0.479 5.030 4.550 0.002 0.000 0.325 395 Y C -0.122 175.565 175.900 -0.355 0.000 0.999 395 Y CA -0.643 57.163 58.100 -0.489 0.000 1.195 395 Y CB 1.486 39.643 38.460 -0.504 0.000 1.132 395 Y HN 0.753 nan 8.280 nan 0.000 0.455 396 E N 5.699 125.529 120.200 -0.617 0.000 2.197 396 E HA 0.596 4.948 4.350 0.002 0.000 0.281 396 E C -1.209 175.054 176.600 -0.562 0.000 0.995 396 E CA -0.669 55.457 56.400 -0.457 0.000 0.808 396 E CB 1.115 30.648 29.700 -0.280 0.000 1.093 396 E HN 0.556 nan 8.360 nan 0.000 0.394 397 V N 1.513 121.205 119.914 -0.370 0.000 3.126 397 V HA 0.547 4.668 4.120 0.002 0.000 0.314 397 V C -0.476 175.538 176.094 -0.133 0.000 1.138 397 V CA -1.143 60.999 62.300 -0.263 0.000 1.034 397 V CB 1.387 33.093 31.823 -0.197 0.000 1.075 397 V HN 0.608 nan 8.190 nan 0.000 0.442 398 L N 2.194 123.377 121.223 -0.067 0.000 2.331 398 L HA 0.481 4.823 4.340 0.002 0.000 0.278 398 L C 1.988 178.870 176.870 0.019 0.000 1.106 398 L CA -0.418 54.410 54.840 -0.020 0.000 0.824 398 L CB 1.230 43.290 42.059 0.001 0.000 1.142 398 L HN 0.955 nan 8.230 nan 0.000 0.443 399 R N 2.616 123.143 120.500 0.045 0.000 2.096 399 R HA -0.153 4.188 4.340 0.002 0.000 0.235 399 R C 1.458 177.802 176.300 0.074 0.000 1.127 399 R CA 1.486 57.655 56.100 0.115 0.000 0.968 399 R CB -0.308 30.099 30.300 0.179 0.000 0.861 399 R HN 0.767 nan 8.270 nan 0.000 0.440 400 E N 1.017 121.238 120.200 0.035 0.000 2.265 400 E HA -0.206 4.145 4.350 0.002 0.000 0.196 400 E C 0.514 177.120 176.600 0.008 0.000 0.996 400 E CA 1.306 57.709 56.400 0.006 0.000 0.832 400 E CB -0.158 29.544 29.700 0.002 0.000 0.756 400 E HN 0.498 nan 8.360 nan 0.000 0.491 401 D N 0.718 121.146 120.400 0.046 0.000 2.355 401 D HA 0.048 4.690 4.640 0.002 0.000 0.206 401 D C 1.062 177.407 176.300 0.074 0.000 1.010 401 D CA 0.489 54.538 54.000 0.082 0.000 0.875 401 D CB 0.402 41.272 40.800 0.117 0.000 0.966 401 D HN 0.375 nan 8.370 nan 0.000 0.512 402 E N -1.102 119.142 120.200 0.073 0.000 2.665 402 E HA 0.084 4.435 4.350 0.002 0.000 0.225 402 E C -0.527 176.180 176.600 0.179 0.000 0.922 402 E CA -0.211 56.244 56.400 0.092 0.000 1.242 402 E CB 1.606 31.346 29.700 0.066 0.000 1.197 402 E HN -0.030 nan 8.360 nan 0.000 0.581 403 F N 1.624 121.552 119.950 -0.038 0.000 2.828 403 F HA 0.398 4.926 4.527 0.002 0.000 0.355 403 F C -1.261 174.511 175.800 -0.046 0.000 1.200 403 F CA -0.864 57.114 58.000 -0.037 0.000 1.062 403 F CB 1.880 40.861 39.000 -0.033 0.000 1.351 403 F HN -0.252 nan 8.300 nan 0.000 0.504 404 S N 8.427 123.852 115.700 -0.458 0.000 2.383 404 S HA 0.461 4.933 4.470 0.002 0.000 0.196 404 S C -3.056 171.256 174.600 -0.481 0.000 1.364 404 S CA -1.119 56.777 58.200 -0.507 0.000 1.212 404 S CB 0.693 63.734 63.200 -0.265 0.000 1.171 404 S HN 0.421 nan 8.310 nan 0.000 0.456 405 P HA 0.260 nan 4.420 nan 0.000 0.275 405 P C -0.788 176.351 177.300 -0.269 0.000 1.228 405 P CA -0.669 62.195 63.100 -0.393 0.000 0.786 405 P CB 0.845 32.308 31.700 -0.394 0.000 0.927 406 L N 3.752 124.854 121.223 -0.201 0.000 2.283 406 L HA 0.317 4.658 4.340 0.002 0.000 0.281 406 L C 0.701 177.459 176.870 -0.187 0.000 1.033 406 L CA 0.363 55.075 54.840 -0.212 0.000 0.848 406 L CB 0.472 42.386 42.059 -0.243 0.000 1.226 406 L HN 0.208 nan 8.230 nan 0.000 0.429 407 K N 2.304 122.602 120.400 -0.170 0.000 2.474 407 K HA 0.382 4.703 4.320 0.002 0.000 0.202 407 K C -0.258 176.265 176.600 -0.129 0.000 1.248 407 K CA 0.033 56.241 56.287 -0.131 0.000 0.946 407 K CB 0.590 33.028 32.500 -0.105 0.000 1.102 407 K HN 0.493 nan 8.250 nan 0.000 0.541 408 N N 0.708 119.324 118.700 -0.140 0.000 2.328 408 N HA 0.422 5.163 4.740 0.002 0.000 0.299 408 N C -0.845 174.587 175.510 -0.130 0.000 1.179 408 N CA -0.452 52.529 53.050 -0.116 0.000 0.793 408 N CB 1.962 40.394 38.487 -0.092 0.000 1.366 408 N HN -0.032 nan 8.380 nan 0.000 0.493 409 A N 0.051 122.813 122.820 -0.097 0.000 2.313 409 A HA 0.194 4.515 4.320 0.002 0.000 0.261 409 A C 0.672 178.221 177.584 -0.059 0.000 1.090 409 A CA -0.199 51.791 52.037 -0.078 0.000 0.807 409 A CB 0.211 19.185 19.000 -0.044 0.000 1.055 409 A HN 0.624 nan 8.150 nan 0.000 0.492 410 D N 0.588 120.965 120.400 -0.037 0.000 2.149 410 D HA -0.136 4.506 4.640 0.002 0.000 0.198 410 D C 2.121 178.406 176.300 -0.025 0.000 0.990 410 D CA 2.128 56.111 54.000 -0.028 0.000 0.839 410 D CB -0.174 40.623 40.800 -0.005 0.000 0.948 410 D HN 0.618 nan 8.370 nan 0.000 0.460 411 S N -0.773 114.916 115.700 -0.018 0.000 2.660 411 S HA 0.009 4.480 4.470 0.002 0.000 0.223 411 S C 1.249 175.837 174.600 -0.020 0.000 0.963 411 S CA 0.121 58.312 58.200 -0.016 0.000 0.932 411 S CB 0.182 63.377 63.200 -0.009 0.000 0.775 411 S HN 0.197 nan 8.310 nan 0.000 0.531 412 Q N 2.094 121.878 119.800 -0.028 0.000 3.050 412 Q HA 0.241 4.582 4.340 0.002 0.000 0.259 412 Q C 1.538 177.521 176.000 -0.029 0.000 1.161 412 Q CA 0.507 56.293 55.803 -0.028 0.000 0.334 412 Q CB -0.134 28.583 28.738 -0.034 0.000 5.720 412 Q HN 0.625 nan 8.270 nan 0.000 0.324 413 N N -0.866 117.813 118.700 -0.034 0.000 2.515 413 N HA 0.057 4.799 4.740 0.002 0.000 0.185 413 N C 0.645 176.131 175.510 -0.040 0.000 1.109 413 N CA 0.958 53.988 53.050 -0.034 0.000 0.903 413 N CB 0.462 38.928 38.487 -0.035 0.000 0.969 413 N HN 0.635 nan 8.380 nan 0.000 0.450 414 G N -1.353 107.418 108.800 -0.047 0.000 2.179 414 G HA2 -0.231 3.730 3.960 0.002 0.000 0.220 414 G HA3 -0.231 3.730 3.960 0.002 0.000 0.220 414 G C -0.208 174.653 174.900 -0.064 0.000 0.990 414 G CA 0.187 45.256 45.100 -0.052 0.000 0.646 414 G HN 0.470 nan 8.290 nan 0.000 0.517 415 K N -0.034 120.322 120.400 -0.073 0.000 2.466 415 K HA 0.488 4.810 4.320 0.002 0.000 0.260 415 K C -0.564 175.970 176.600 -0.110 0.000 1.011 415 K CA -0.633 55.600 56.287 -0.090 0.000 0.871 415 K CB 1.337 33.785 32.500 -0.086 0.000 1.404 415 K HN -0.009 nan 8.250 nan 0.000 0.450 416 D N 1.593 121.911 120.400 -0.137 0.000 2.704 416 D HA -0.190 4.452 4.640 0.002 0.000 0.232 416 D C -0.569 175.634 176.300 -0.160 0.000 1.183 416 D CA 1.238 55.135 54.000 -0.172 0.000 0.647 416 D CB -1.284 39.410 40.800 -0.177 0.000 1.013 416 D HN 0.678 nan 8.370 nan 0.000 0.415 417 N N -2.674 115.941 118.700 -0.142 0.000 2.966 417 N HA 0.570 5.311 4.740 0.002 0.000 0.314 417 N C -2.463 172.965 175.510 -0.136 0.000 1.397 417 N CA -1.744 51.221 53.050 -0.142 0.000 0.776 417 N CB 0.510 38.936 38.487 -0.102 0.000 1.576 417 N HN -0.314 nan 8.380 nan 0.000 0.592 418 P HA -0.071 nan 4.420 nan 0.000 0.216 418 P C 0.750 178.044 177.300 -0.009 0.000 1.150 418 P CA 1.848 64.908 63.100 -0.067 0.000 0.837 418 P CB -0.010 31.710 31.700 0.035 0.000 0.786 419 T N -0.955 113.606 114.554 0.013 0.000 2.708 419 T HA -0.149 4.202 4.350 0.002 0.000 0.266 419 T C 1.851 176.623 174.700 0.119 0.000 1.037 419 T CA 2.266 64.420 62.100 0.089 0.000 1.146 419 T CB -1.361 67.542 68.868 0.059 0.000 0.865 419 T HN 0.331 nan 8.240 nan 0.000 0.435 420 T N 0.867 115.421 114.554 -0.001 0.000 2.867 420 T HA 0.117 4.469 4.350 0.002 0.000 0.268 420 T C 2.248 176.917 174.700 -0.051 0.000 1.057 420 T CA 0.981 63.061 62.100 -0.033 0.000 1.136 420 T CB -0.509 68.303 68.868 -0.093 0.000 0.874 420 T HN 0.334 nan 8.240 nan 0.000 0.466 421 A N 3.348 126.118 122.820 -0.083 0.000 1.855 421 A HA -0.063 4.258 4.320 0.002 0.000 0.215 421 A C 2.564 180.078 177.584 -0.117 0.000 1.191 421 A CA 1.776 53.742 52.037 -0.119 0.000 0.613 421 A CB -0.710 18.212 19.000 -0.130 0.000 0.829 421 A HN 0.736 nan 8.150 nan 0.000 0.442 422 R N -1.181 119.258 120.500 -0.102 0.000 2.096 422 R HA -0.163 4.178 4.340 0.002 0.000 0.235 422 R C 1.823 177.973 176.300 -0.251 0.000 1.127 422 R CA 1.968 57.960 56.100 -0.180 0.000 0.968 422 R CB -0.843 29.341 30.300 -0.195 0.000 0.861 422 R HN 0.599 nan 8.270 nan 0.000 0.440 423 H N 0.604 119.594 119.070 -0.134 0.000 2.428 423 H HA 0.135 4.692 4.556 0.002 0.000 0.296 423 H C 2.215 177.446 175.328 -0.163 0.000 1.062 423 H CA 1.632 57.597 56.048 -0.140 0.000 1.350 423 H CB 0.091 29.785 29.762 -0.114 0.000 1.403 423 H HN 0.467 nan 8.280 nan 0.000 0.533 424 A N 0.991 123.771 122.820 -0.067 0.000 1.898 424 A HA -0.097 4.225 4.320 0.002 0.000 0.216 424 A C 2.228 179.681 177.584 -0.220 0.000 1.181 424 A CA 0.962 52.925 52.037 -0.124 0.000 0.620 424 A CB -0.525 18.395 19.000 -0.134 0.000 0.819 424 A HN 0.352 nan 8.150 nan 0.000 0.442 425 L N -0.334 120.718 121.223 -0.285 0.000 2.005 425 L HA -0.126 4.215 4.340 0.002 0.000 0.207 425 L C 2.446 178.963 176.870 -0.588 0.000 1.072 425 L CA 2.358 56.909 54.840 -0.481 0.000 0.744 425 L CB -1.058 40.732 42.059 -0.447 0.000 0.895 425 L HN 0.458 nan 8.230 nan 0.000 0.433 426 M N -0.761 118.595 119.600 -0.406 0.000 2.149 426 M HA -0.221 4.261 4.480 0.002 0.000 0.261 426 M C 2.447 178.616 176.300 -0.218 0.000 1.064 426 M CA 2.044 57.155 55.300 -0.315 0.000 1.102 426 M CB -0.441 31.995 32.600 -0.273 0.000 1.369 426 M HN 0.373 nan 8.290 nan 0.000 0.408 427 S N 0.749 116.346 115.700 -0.173 0.000 2.368 427 S HA -0.139 4.332 4.470 0.002 0.000 0.224 427 S C 1.781 176.327 174.600 -0.090 0.000 1.029 427 S CA 1.034 59.194 58.200 -0.067 0.000 0.988 427 S CB -0.228 62.948 63.200 -0.040 0.000 0.838 427 S HN 0.374 nan 8.310 nan 0.000 0.462 428 L N 1.852 122.934 121.223 -0.235 0.000 1.994 428 L HA -0.065 4.276 4.340 0.002 0.000 0.208 428 L C 2.220 178.779 176.870 -0.519 0.000 1.071 428 L CA 2.299 56.928 54.840 -0.353 0.000 0.745 428 L CB -1.206 40.580 42.059 -0.455 0.000 0.892 428 L HN 0.362 nan 8.230 nan 0.000 0.431 429 H N -1.298 117.342 119.070 -0.717 0.000 2.387 429 H HA -0.174 4.383 4.556 0.002 0.000 0.299 429 H C 2.189 177.448 175.328 -0.115 0.000 1.090 429 H CA 1.657 57.358 56.048 -0.579 0.000 1.332 429 H CB -0.717 28.812 29.762 -0.387 0.000 1.386 429 H HN 0.620 nan 8.280 nan 0.000 0.516 430 H N -0.235 118.794 119.070 -0.067 0.000 2.319 430 H HA -0.134 4.424 4.556 0.002 0.000 0.299 430 H C 1.800 177.178 175.328 0.083 0.000 1.092 430 H CA 1.669 57.687 56.048 -0.050 0.000 1.302 430 H CB -0.151 29.477 29.762 -0.224 0.000 1.373 430 H HN 0.299 nan 8.280 nan 0.000 0.497 431 C N 0.481 119.707 119.300 -0.125 0.000 2.425 431 C HA -0.149 4.313 4.460 0.002 0.000 0.277 431 C C 2.582 177.662 174.990 0.149 0.000 1.280 431 C CA 0.346 59.304 59.018 -0.100 0.000 1.744 431 C CB -1.495 26.234 27.740 -0.019 0.000 1.989 431 C HN 0.721 nan 8.230 nan 0.000 0.491 432 W N 0.735 122.029 121.300 -0.010 0.000 2.338 432 W HA -0.091 4.570 4.660 0.002 0.000 0.304 432 W C 2.339 178.843 176.519 -0.025 0.000 1.212 432 W CA 0.819 58.151 57.345 -0.021 0.000 1.264 432 W CB -1.649 27.783 29.460 -0.047 0.000 1.142 432 W HN 0.149 nan 8.180 nan 0.000 0.512 433 V N 0.059 120.127 119.914 0.257 0.000 2.295 433 V HA -0.282 3.839 4.120 0.002 0.000 0.246 433 V C 2.312 178.445 176.094 0.064 0.000 1.049 433 V CA 1.416 63.806 62.300 0.150 0.000 1.024 433 V CB -1.171 30.794 31.823 0.236 0.000 0.648 433 V HN -0.016 nan 8.190 nan 0.000 0.447 434 L N 0.517 121.767 121.223 0.045 0.000 2.046 434 L HA -0.126 4.216 4.340 0.002 0.000 0.208 434 L C 2.212 179.057 176.870 -0.043 0.000 1.077 434 L CA 1.763 56.573 54.840 -0.050 0.000 0.747 434 L CB -1.169 40.841 42.059 -0.083 0.000 0.896 434 L HN 0.344 nan 8.230 nan 0.000 0.432 435 N N -0.563 118.143 118.700 0.010 0.000 2.381 435 N HA -0.051 4.690 4.740 0.002 0.000 0.182 435 N C 1.550 177.060 175.510 -0.001 0.000 1.025 435 N CA 1.131 54.189 53.050 0.014 0.000 0.888 435 N CB -0.086 38.428 38.487 0.044 0.000 0.965 435 N HN 0.342 nan 8.380 nan 0.000 0.438 436 A N -0.469 122.353 122.820 0.003 0.000 2.251 436 A HA 0.455 4.776 4.320 0.002 0.000 0.209 436 A C 1.467 179.046 177.584 -0.008 0.000 1.187 436 A CA 0.724 52.760 52.037 -0.001 0.000 0.823 436 A CB -0.121 18.887 19.000 0.014 0.000 0.846 436 A HN 0.290 nan 8.150 nan 0.000 0.486 437 G N -2.098 106.673 108.800 -0.048 0.000 2.179 437 G HA2 -0.027 3.934 3.960 0.002 0.000 0.220 437 G HA3 -0.027 3.934 3.960 0.002 0.000 0.220 437 G C 0.724 175.507 174.900 -0.196 0.000 0.990 437 G CA 0.150 45.205 45.100 -0.075 0.000 0.646 437 G HN 1.302 nan 8.290 nan 0.000 0.517 438 G N -0.930 107.754 108.800 -0.194 0.000 2.557 438 G HA2 0.642 4.604 3.960 0.002 0.000 0.292 438 G HA3 0.642 4.604 3.960 0.002 0.000 0.292 438 G C -0.446 174.099 174.900 -0.591 0.000 1.237 438 G CA -0.273 44.720 45.100 -0.179 0.000 0.978 438 G HN 0.499 nan 8.290 nan 0.000 0.498 439 H N -1.632 117.453 119.070 0.026 0.000 3.008 439 H HA 0.397 4.955 4.556 0.002 0.000 0.354 439 H C -1.510 173.712 175.328 -0.177 0.000 1.252 439 H CA -0.429 55.630 56.048 0.018 0.000 1.117 439 H CB 1.935 31.699 29.762 0.004 0.000 1.857 439 H HN 0.337 nan 8.280 nan 0.000 0.547 440 F N 1.197 121.316 119.950 0.282 0.000 2.522 440 F HA 0.533 5.062 4.527 0.002 0.000 0.324 440 F C 0.507 176.364 175.800 0.095 0.000 1.077 440 F CA -0.754 57.365 58.000 0.198 0.000 0.944 440 F CB 1.644 40.762 39.000 0.196 0.000 1.175 440 F HN 0.335 nan 8.300 nan 0.000 0.468 441 I N -1.278 119.371 120.570 0.133 0.000 3.074 441 I HA 0.628 4.799 4.170 0.002 0.000 0.310 441 I C -1.157 175.009 176.117 0.081 0.000 1.153 441 I CA -1.153 60.162 61.300 0.025 0.000 0.993 441 I CB 2.092 39.998 38.000 -0.158 0.000 1.237 441 I HN 0.501 nan 8.210 nan 0.000 0.443 442 D N 1.907 122.370 120.400 0.105 0.000 2.453 442 D HA 0.149 4.790 4.640 0.002 0.000 0.282 442 D C 0.588 177.049 176.300 0.268 0.000 1.222 442 D CA -0.035 54.065 54.000 0.167 0.000 1.079 442 D CB 0.350 41.215 40.800 0.109 0.000 1.128 442 D HN 0.653 nan 8.370 nan 0.000 0.568 443 E N -1.298 119.021 120.200 0.198 0.000 2.268 443 E HA -0.017 4.334 4.350 0.002 0.000 0.195 443 E C 0.761 177.451 176.600 0.151 0.000 0.995 443 E CA 0.695 57.191 56.400 0.160 0.000 0.836 443 E CB -0.179 29.562 29.700 0.067 0.000 0.763 443 E HN 0.301 nan 8.360 nan 0.000 0.491 444 N N -0.484 118.289 118.700 0.122 0.000 2.230 444 N HA 0.096 4.837 4.740 0.002 0.000 0.202 444 N C 0.636 176.196 175.510 0.082 0.000 1.119 444 N CA 0.777 53.879 53.050 0.085 0.000 0.851 444 N CB 1.361 39.879 38.487 0.052 0.000 0.990 444 N HN 0.233 nan 8.380 nan 0.000 0.497 445 G N 0.386 109.251 108.800 0.108 0.000 2.143 445 G HA2 -0.261 3.701 3.960 0.002 0.000 0.249 445 G HA3 -0.261 3.701 3.960 0.002 0.000 0.249 445 G C -0.087 174.809 174.900 -0.005 0.000 0.981 445 G CA 0.074 45.190 45.100 0.026 0.000 0.665 445 G HN 0.296 nan 8.290 nan 0.000 0.528 446 S N -0.165 115.548 115.700 0.021 0.000 2.565 446 S HA 0.501 4.972 4.470 0.002 0.000 0.274 446 S C 0.714 175.326 174.600 0.019 0.000 1.309 446 S CA -0.546 57.663 58.200 0.015 0.000 1.043 446 S CB 1.327 64.545 63.200 0.029 0.000 0.939 446 S HN 0.508 nan 8.310 nan 0.000 0.504 447 R N 2.313 122.819 120.500 0.011 0.000 2.401 447 R HA 0.238 4.580 4.340 0.002 0.000 0.299 447 R C -0.568 175.782 176.300 0.083 0.000 1.064 447 R CA -0.118 56.004 56.100 0.038 0.000 1.000 447 R CB 0.112 30.411 30.300 -0.003 0.000 0.973 447 R HN 0.555 nan 8.270 nan 0.000 0.438 448 L N 6.574 127.881 121.223 0.141 0.000 2.375 448 L HA 0.403 4.744 4.340 0.002 0.000 0.271 448 L C -1.503 175.466 176.870 0.165 0.000 1.107 448 L CA -1.943 52.983 54.840 0.144 0.000 0.806 448 L CB 0.924 43.083 42.059 0.166 0.000 1.146 448 L HN 0.554 nan 8.230 nan 0.000 0.447 449 P HA 0.120 nan 4.420 nan 0.000 0.274 449 P C 0.068 177.470 177.300 0.170 0.000 1.256 449 P CA -0.458 62.718 63.100 0.127 0.000 0.795 449 P CB 1.090 32.839 31.700 0.082 0.000 1.038 450 A N 1.531 124.452 122.820 0.168 0.000 1.972 450 A HA -0.038 4.284 4.320 0.002 0.000 0.219 450 A C 1.303 179.014 177.584 0.212 0.000 1.169 450 A CA 1.135 53.295 52.037 0.205 0.000 0.635 450 A CB -0.816 18.252 19.000 0.113 0.000 0.810 450 A HN 0.552 nan 8.150 nan 0.000 0.446 451 I N 1.470 122.109 120.570 0.115 0.000 2.411 451 I HA 0.254 4.425 4.170 0.002 0.000 0.284 451 I C -2.375 173.764 176.117 0.037 0.000 1.012 451 I CA -2.243 59.098 61.300 0.068 0.000 1.119 451 I CB 1.917 39.945 38.000 0.046 0.000 1.261 451 I HN 0.088 nan 8.210 nan 0.000 0.448 452 P HA 0.094 nan 4.420 nan 0.000 0.266 452 P C -0.714 176.582 177.300 -0.006 0.000 1.195 452 P CA -0.203 62.891 63.100 -0.009 0.000 0.768 452 P CB 0.800 32.471 31.700 -0.047 0.000 0.838 453 R N 2.685 123.185 120.500 0.001 0.000 2.210 453 R HA 0.354 4.695 4.340 0.002 0.000 0.338 453 R C -0.174 176.121 176.300 -0.008 0.000 1.062 453 R CA -0.477 55.622 56.100 -0.001 0.000 0.902 453 R CB 0.185 30.489 30.300 0.006 0.000 1.050 453 R HN 0.501 nan 8.270 nan 0.000 0.461 454 L N 4.912 126.126 121.223 -0.015 0.000 2.360 454 L HA 0.280 4.622 4.340 0.002 0.000 0.265 454 L C 0.748 177.608 176.870 -0.017 0.000 1.066 454 L CA -0.342 54.487 54.840 -0.020 0.000 0.929 454 L CB 0.762 42.801 42.059 -0.033 0.000 1.306 454 L HN 0.422 nan 8.230 nan 0.000 0.434 455 K N -0.193 120.201 120.400 -0.010 0.000 2.350 455 K HA 0.248 4.569 4.320 0.002 0.000 0.196 455 K C 0.090 176.686 176.600 -0.008 0.000 1.084 455 K CA 0.272 56.553 56.287 -0.008 0.000 0.967 455 K CB 0.677 33.174 32.500 -0.004 0.000 0.950 455 K HN 0.384 nan 8.250 nan 0.000 0.512 456 D N -0.053 120.344 120.400 -0.006 0.000 2.326 456 D HA 0.301 4.943 4.640 0.002 0.000 0.251 456 D C 0.947 177.243 176.300 -0.006 0.000 1.023 456 D CA -0.201 53.797 54.000 -0.004 0.000 0.966 456 D CB 1.557 42.356 40.800 -0.000 0.000 1.156 456 D HN -0.089 nan 8.370 nan 0.000 0.494 457 A N 1.393 124.210 122.820 -0.005 0.000 1.917 457 A HA -0.230 4.091 4.320 0.002 0.000 0.219 457 A C 1.550 179.132 177.584 -0.004 0.000 1.182 457 A CA 1.453 53.486 52.037 -0.006 0.000 0.633 457 A CB -0.366 18.632 19.000 -0.004 0.000 0.819 457 A HN 0.484 nan 8.150 nan 0.000 0.448 458 N N 0.695 119.395 118.700 -0.000 0.000 2.463 458 N HA -0.022 4.719 4.740 0.002 0.000 0.181 458 N C -0.581 174.930 175.510 0.003 0.000 1.078 458 N CA 0.375 53.426 53.050 0.002 0.000 0.902 458 N CB -0.198 38.292 38.487 0.005 0.000 0.970 458 N HN 0.416 nan 8.380 nan 0.000 0.451 459 D N 1.244 121.643 120.400 -0.001 0.000 2.458 459 D HA 0.093 4.735 4.640 0.002 0.000 0.243 459 D C 0.561 176.857 176.300 -0.007 0.000 1.146 459 D CA 0.267 54.266 54.000 -0.003 0.000 0.877 459 D CB 1.360 42.155 40.800 -0.007 0.000 1.176 459 D HN -0.047 nan 8.370 nan 0.000 0.461 460 V N -0.290 119.620 119.914 -0.007 0.000 3.078 460 V HA 0.675 4.796 4.120 0.002 0.000 0.311 460 V C -2.642 173.437 176.094 -0.025 0.000 1.138 460 V CA -1.776 60.522 62.300 -0.004 0.000 1.007 460 V CB 1.853 33.684 31.823 0.012 0.000 1.045 460 V HN 0.330 nan 8.190 nan 0.000 0.432 461 P HA 0.438 nan 4.420 nan 0.000 0.274 461 P C -0.150 177.057 177.300 -0.156 0.000 1.246 461 P CA -0.378 62.673 63.100 -0.081 0.000 0.795 461 P CB 0.831 32.516 31.700 -0.024 0.000 1.006 462 I N 1.119 121.496 120.570 -0.321 0.000 2.668 462 I HA -0.052 4.120 4.170 0.002 0.000 0.285 462 I C 1.099 176.995 176.117 -0.368 0.000 1.168 462 I CA 0.632 61.664 61.300 -0.447 0.000 1.424 462 I CB -0.118 37.314 38.000 -0.947 0.000 1.377 462 I HN 0.192 nan 8.210 nan 0.000 0.560 463 Q N 5.886 125.545 119.800 -0.236 0.000 2.331 463 Q HA 0.399 4.740 4.340 0.002 0.000 0.257 463 Q C -1.055 174.874 176.000 -0.118 0.000 0.957 463 Q CA -0.364 55.337 55.803 -0.169 0.000 0.923 463 Q CB 1.926 30.604 28.738 -0.100 0.000 1.212 463 Q HN 0.682 nan 8.270 nan 0.000 0.443 464 C N 3.155 122.389 119.300 -0.112 0.000 2.698 464 C HA 0.582 5.044 4.460 0.002 0.000 0.309 464 C C -1.298 173.710 174.990 0.030 0.000 1.186 464 C CA -0.227 58.797 59.018 0.011 0.000 1.474 464 C CB 1.600 29.379 27.740 0.064 0.000 2.020 464 C HN 1.003 nan 8.230 nan 0.000 0.474 465 E N 4.969 125.225 120.200 0.093 0.000 2.287 465 E HA 0.524 4.876 4.350 0.002 0.000 0.274 465 E C -1.466 175.238 176.600 0.173 0.000 0.896 465 E CA -0.477 56.031 56.400 0.180 0.000 0.788 465 E CB 1.244 30.985 29.700 0.068 0.000 1.244 465 E HN 0.682 nan 8.360 nan 0.000 0.408 466 I N 2.895 123.602 120.570 0.228 0.000 2.378 466 I HA 0.185 4.356 4.170 0.002 0.000 0.291 466 I C 0.579 176.720 176.117 0.039 0.000 0.992 466 I CA -0.576 60.705 61.300 -0.031 0.000 1.154 466 I CB 1.202 39.106 38.000 -0.160 0.000 1.315 466 I HN 0.420 nan 8.210 nan 0.000 0.448 467 S N 7.565 123.287 115.700 0.037 0.000 2.560 467 S HA 0.173 4.645 4.470 0.002 0.000 0.284 467 S C -1.449 173.197 174.600 0.077 0.000 1.327 467 S CA -0.623 57.617 58.200 0.066 0.000 1.055 467 S CB 0.849 64.079 63.200 0.050 0.000 0.868 467 S HN 0.387 nan 8.310 nan 0.000 0.506 468 P HA -0.059 nan 4.420 nan 0.000 0.218 468 P C 1.203 178.570 177.300 0.111 0.000 1.148 468 P CA 1.049 64.223 63.100 0.124 0.000 0.822 468 P CB 0.006 31.777 31.700 0.118 0.000 0.784 469 L N -1.728 119.546 121.223 0.085 0.000 2.265 469 L HA -0.141 4.200 4.340 0.002 0.000 0.215 469 L C 1.958 178.859 176.870 0.051 0.000 1.117 469 L CA 0.976 55.858 54.840 0.071 0.000 0.782 469 L CB -0.631 41.469 42.059 0.068 0.000 0.914 469 L HN 0.021 nan 8.230 nan 0.000 0.441 470 I N -1.934 118.654 120.570 0.029 0.000 2.628 470 I HA 0.027 4.199 4.170 0.002 0.000 0.255 470 I C 1.045 177.160 176.117 -0.003 0.000 1.119 470 I CA 0.746 62.044 61.300 -0.004 0.000 1.448 470 I CB -0.002 37.931 38.000 -0.112 0.000 1.133 470 I HN 0.027 nan 8.210 nan 0.000 0.438 471 S N -1.281 114.416 115.700 -0.005 0.000 2.619 471 S HA 0.308 4.779 4.470 0.002 0.000 0.280 471 S C 0.133 174.725 174.600 -0.015 0.000 1.150 471 S CA -0.549 57.606 58.200 -0.075 0.000 0.978 471 S CB 1.165 64.233 63.200 -0.221 0.000 1.041 471 S HN 0.198 nan 8.310 nan 0.000 0.485 472 Y N 4.550 124.771 120.300 -0.132 0.000 2.206 472 Y HA 0.444 4.995 4.550 0.002 0.000 0.292 472 Y C 1.331 177.200 175.900 -0.052 0.000 1.123 472 Y CA 1.694 59.773 58.100 -0.035 0.000 1.142 472 Y CB 0.187 38.631 38.460 -0.027 0.000 1.006 472 Y HN 0.748 nan 8.280 nan 0.000 0.518 473 A N -1.431 121.218 122.820 -0.285 0.000 2.676 473 A HA 0.564 4.886 4.320 0.002 0.000 0.258 473 A C 0.972 177.899 177.584 -1.094 0.000 0.898 473 A CA 0.268 52.039 52.037 -0.443 0.000 1.087 473 A CB -0.524 18.469 19.000 -0.012 0.000 1.214 473 A HN 0.858 nan 8.150 nan 0.000 0.474 474 G N 0.166 107.717 108.800 -2.082 0.000 2.213 474 G HA2 -0.213 3.749 3.960 0.002 0.000 0.226 474 G HA3 -0.213 3.749 3.960 0.002 0.000 0.226 474 G C 0.185 174.649 174.900 -0.727 0.000 0.992 474 G CA 0.252 44.234 45.100 -1.864 0.000 0.632 474 G HN 1.027 nan 8.290 nan 0.000 0.511 475 E N 1.231 121.144 120.200 -0.478 0.000 2.345 475 E HA 0.482 4.833 4.350 0.002 0.000 0.259 475 E C 1.126 177.644 176.600 -0.137 0.000 1.117 475 E CA 0.315 56.585 56.400 -0.216 0.000 0.913 475 E CB 0.582 30.216 29.700 -0.109 0.000 1.057 475 E HN 1.737 nan 8.360 nan 0.000 0.432 476 G N 1.429 110.199 108.800 -0.051 0.000 2.198 476 G HA2 -0.246 3.715 3.960 0.002 0.000 0.260 476 G HA3 -0.246 3.715 3.960 0.002 0.000 0.260 476 G C 0.446 175.400 174.900 0.090 0.000 1.025 476 G CA 0.648 45.758 45.100 0.016 0.000 0.769 476 G HN 0.447 nan 8.290 nan 0.000 0.507 477 L N -1.416 119.843 121.223 0.061 0.000 2.609 477 L HA 0.261 4.602 4.340 0.002 0.000 0.230 477 L C 2.398 179.355 176.870 0.145 0.000 1.087 477 L CA 0.533 55.466 54.840 0.154 0.000 0.874 477 L CB -0.028 42.059 42.059 0.048 0.000 1.114 477 L HN 0.140 nan 8.230 nan 0.000 0.488 478 E N 0.741 120.977 120.200 0.061 0.000 2.114 478 E HA -0.268 4.083 4.350 0.002 0.000 0.199 478 E C 2.303 178.923 176.600 0.034 0.000 1.008 478 E CA 1.916 58.340 56.400 0.040 0.000 0.810 478 E CB -0.215 29.491 29.700 0.011 0.000 0.739 478 E HN 0.458 nan 8.360 nan 0.000 0.456 479 S N -0.864 114.826 115.700 -0.016 0.000 2.447 479 S HA -0.138 4.333 4.470 0.002 0.000 0.233 479 S C 1.803 176.340 174.600 -0.106 0.000 1.006 479 S CA 0.659 58.798 58.200 -0.103 0.000 0.957 479 S CB -0.335 62.735 63.200 -0.217 0.000 0.773 479 S HN 0.347 nan 8.310 nan 0.000 0.507 480 Y N 1.173 121.485 120.300 0.020 0.000 2.397 480 Y HA 0.193 4.744 4.550 0.002 0.000 0.292 480 Y C 2.511 178.485 175.900 0.124 0.000 1.115 480 Y CA 0.734 58.856 58.100 0.037 0.000 1.208 480 Y CB 0.313 38.756 38.460 -0.028 0.000 1.046 480 Y HN 0.380 nan 8.280 nan 0.000 0.552 481 V N -3.864 116.210 119.914 0.267 0.000 3.548 481 V HA 0.558 4.680 4.120 0.002 0.000 0.279 481 V C 0.857 177.078 176.094 0.212 0.000 1.446 481 V CA -0.248 62.248 62.300 0.325 0.000 1.023 481 V CB -0.650 31.269 31.823 0.161 0.000 0.820 481 V HN 0.061 nan 8.190 nan 0.000 0.438 482 A N 1.603 124.495 122.820 0.119 0.000 2.548 482 A HA 0.314 4.635 4.320 0.002 0.000 0.247 482 A C 0.968 178.597 177.584 0.074 0.000 1.067 482 A CA 0.997 53.076 52.037 0.071 0.000 0.757 482 A CB -0.661 18.365 19.000 0.043 0.000 0.996 482 A HN 0.745 nan 8.150 nan 0.000 0.504 483 D N 0.024 120.480 120.400 0.095 0.000 3.046 483 D HA -0.143 4.498 4.640 0.002 0.000 0.210 483 D C 0.090 176.426 176.300 0.061 0.000 1.124 483 D CA 2.004 56.067 54.000 0.105 0.000 0.986 483 D CB -1.068 39.761 40.800 0.049 0.000 1.118 483 D HN 0.792 nan 8.370 nan 0.000 0.416 484 K N 0.323 120.744 120.400 0.035 0.000 2.166 484 K HA 0.556 4.877 4.320 0.002 0.000 0.245 484 K C 0.183 176.580 176.600 -0.337 0.000 0.967 484 K CA -0.507 55.665 56.287 -0.191 0.000 0.863 484 K CB 1.771 34.115 32.500 -0.261 0.000 1.107 484 K HN -0.035 nan 8.250 nan 0.000 0.436 485 E N 1.080 120.901 120.200 -0.632 0.000 2.227 485 E HA 0.466 4.818 4.350 0.002 0.000 0.268 485 E C -1.221 174.750 176.600 -1.048 0.000 0.907 485 E CA -0.710 55.342 56.400 -0.580 0.000 0.786 485 E CB 1.461 30.973 29.700 -0.313 0.000 1.191 485 E HN 0.229 nan 8.360 nan 0.000 0.411 486 F N 0.168 119.920 119.950 -0.329 0.000 2.588 486 F HA 0.317 4.846 4.527 0.002 0.000 0.310 486 F C 0.044 175.735 175.800 -0.181 0.000 1.082 486 F CA -0.976 56.862 58.000 -0.269 0.000 0.929 486 F CB 1.485 40.298 39.000 -0.311 0.000 1.254 486 F HN 0.329 nan 8.300 nan 0.000 0.455 487 H N 1.346 120.561 119.070 0.241 0.000 2.517 487 H HA 0.621 5.178 4.556 0.002 0.000 0.317 487 H C -0.192 175.312 175.328 0.294 0.000 1.080 487 H CA -0.538 55.649 56.048 0.232 0.000 1.301 487 H CB 1.541 31.391 29.762 0.147 0.000 1.425 487 H HN 0.792 nan 8.280 nan 0.000 0.471 488 A N 5.295 128.377 122.820 0.436 0.000 2.304 488 A HA 0.396 4.718 4.320 0.002 0.000 0.271 488 A C -2.097 175.604 177.584 0.195 0.000 1.091 488 A CA -1.407 50.822 52.037 0.319 0.000 0.812 488 A CB -0.110 19.003 19.000 0.188 0.000 1.056 488 A HN 0.450 nan 8.150 nan 0.000 0.489 489 P HA 0.377 nan 4.420 nan 0.000 0.276 489 P C -1.012 176.387 177.300 0.167 0.000 1.230 489 P CA -0.118 63.050 63.100 0.113 0.000 0.776 489 P CB 0.597 32.331 31.700 0.057 0.000 0.888 490 L N 4.734 126.070 121.223 0.189 0.000 2.322 490 L HA 0.571 4.913 4.340 0.002 0.000 0.281 490 L C -1.142 175.781 176.870 0.087 0.000 1.014 490 L CA -0.271 54.666 54.840 0.163 0.000 0.815 490 L CB 0.775 42.961 42.059 0.212 0.000 1.247 490 L HN 0.263 nan 8.230 nan 0.000 0.421 491 I N 6.089 126.694 120.570 0.059 0.000 2.545 491 I HA 0.450 4.621 4.170 0.002 0.000 0.292 491 I C -0.914 175.167 176.117 -0.061 0.000 1.040 491 I CA -0.554 60.776 61.300 0.049 0.000 1.068 491 I CB 2.138 40.219 38.000 0.136 0.000 1.251 491 I HN 0.497 nan 8.210 nan 0.000 0.424 492 I N 5.318 125.818 120.570 -0.117 0.000 2.439 492 I HA 0.305 4.476 4.170 0.002 0.000 0.283 492 I C -1.172 174.837 176.117 -0.180 0.000 1.023 492 I CA -0.418 60.719 61.300 -0.272 0.000 1.100 492 I CB 1.507 39.256 38.000 -0.418 0.000 1.238 492 I HN 0.607 nan 8.210 nan 0.000 0.445 493 D N 4.109 124.435 120.400 -0.123 0.000 2.801 493 D HA 0.186 4.828 4.640 0.002 0.000 0.277 493 D C 0.760 177.064 176.300 0.008 0.000 1.125 493 D CA -0.644 53.349 54.000 -0.011 0.000 1.102 493 D CB 0.384 41.241 40.800 0.096 0.000 1.400 493 D HN 0.433 nan 8.370 nan 0.000 0.601 494 E N -0.189 120.049 120.200 0.062 0.000 2.333 494 E HA -0.174 4.177 4.350 0.002 0.000 0.198 494 E C 0.125 176.790 176.600 0.107 0.000 1.007 494 E CA 0.793 57.241 56.400 0.079 0.000 0.845 494 E CB -0.510 29.238 29.700 0.080 0.000 0.766 494 E HN 0.349 nan 8.360 nan 0.000 0.507 495 N N 1.020 119.815 118.700 0.158 0.000 2.270 495 N HA 0.149 4.891 4.740 0.002 0.000 0.198 495 N C 0.788 176.443 175.510 0.242 0.000 1.117 495 N CA 0.891 54.071 53.050 0.216 0.000 0.845 495 N CB 1.254 39.886 38.487 0.240 0.000 0.980 495 N HN 0.384 nan 8.380 nan 0.000 0.486 496 G N -0.286 108.540 108.800 0.042 0.000 2.396 496 G HA2 -0.173 3.788 3.960 0.002 0.000 0.254 496 G HA3 -0.173 3.788 3.960 0.002 0.000 0.254 496 G C -1.260 173.284 174.900 -0.594 0.000 1.248 496 G CA -0.747 44.276 45.100 -0.128 0.000 1.033 496 G HN -0.033 nan 8.290 nan 0.000 0.502 497 V N 1.523 121.161 119.914 -0.459 0.000 2.407 497 V HA 0.630 4.752 4.120 0.002 0.000 0.278 497 V C -0.083 175.719 176.094 -0.487 0.000 1.037 497 V CA -0.240 61.802 62.300 -0.430 0.000 0.900 497 V CB 0.947 32.728 31.823 -0.070 0.000 0.983 497 V HN 0.769 nan 8.190 nan 0.000 0.459 498 H N 2.340 121.434 119.070 0.039 0.000 2.744 498 H HA 0.501 5.059 4.556 0.002 0.000 0.339 498 H C -0.821 174.558 175.328 0.086 0.000 1.004 498 H CA -0.624 55.464 56.048 0.065 0.000 1.257 498 H CB 1.516 31.305 29.762 0.045 0.000 1.552 498 H HN 0.611 nan 8.280 nan 0.000 0.522 499 E N 3.522 123.857 120.200 0.225 0.000 2.115 499 E HA 0.243 4.595 4.350 0.002 0.000 0.282 499 E C -0.370 176.327 176.600 0.161 0.000 0.987 499 E CA -0.534 55.991 56.400 0.210 0.000 0.797 499 E CB 1.610 31.461 29.700 0.252 0.000 1.086 499 E HN 0.361 nan 8.360 nan 0.000 0.397 500 L N 3.374 124.679 121.223 0.136 0.000 2.417 500 L HA 0.274 4.616 4.340 0.002 0.000 0.268 500 L C 0.412 177.324 176.870 0.070 0.000 1.158 500 L CA -0.681 54.213 54.840 0.090 0.000 0.819 500 L CB 0.506 42.607 42.059 0.071 0.000 1.112 500 L HN 0.332 nan 8.230 nan 0.000 0.458 501 V N 0.000 119.940 119.914 0.044 0.000 2.409 501 V HA 0.000 4.121 4.120 0.002 0.000 0.244 501 V CA 0.000 62.316 62.300 0.026 0.000 1.235 501 V CB 0.000 31.831 31.823 0.014 0.000 1.184 501 V HN 0.000 nan 8.190 nan 0.000 0.556