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 3gzc_1_A DATA FIRST_RESID 29 DATA SEQUENCE ERKVYMDYNA TTPLEPEVIQ AMTKAMWEAW GNPSSPYSAG RKAKDIINAA DATA SEQUENCE RESLAKMIGG KPQDIIFTSG GTESNNLVIH SVVKHFHANQ TXXXXXXXXX DATA SEQUENCE XXXXGAKPHF ITSSVEHDSI RLPLEHLVEE QVAAVTFVPV SKVSGQTEVD DATA SEQUENCE DILAAVRPTT RLVTIMLANN ETGIVMPVPE ISQRIKALNQ ERVAAGLPPI DATA SEQUENCE LVHTDAAQAL GKQRVDVEDL GVDFLTIVGH KFYGPRIGAL YIRGLGEFTP DATA SEQUENCE LYPMLFGGGQ ERNFRPGTEN TPMIAGLGKA AELVTQNCEA YEAHMRDVRD DATA SEQUENCE YLEERLEAEF GQKRIHLNSQ FPGTQRLPNT CNFSIRGPRL QGHVVLAQCR DATA SEQUENCE VLMASVGAAC HSDHGDQPSP VLLSYGVPFD VARNALRLSV GRSTTRAEVD DATA SEQUENCE LVVQDLKQAV AQLEDQ 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 29 E HA 0.000 nan 4.350 nan 0.000 0.291 29 E C 0.000 176.620 176.600 0.033 0.000 1.382 29 E CA 0.000 56.417 56.400 0.029 0.000 0.976 29 E CB 0.000 29.718 29.700 0.031 0.000 0.812 30 R N 0.976 121.498 120.500 0.038 0.000 2.490 30 R HA 0.315 4.650 4.340 -0.008 0.000 0.278 30 R C -0.740 175.592 176.300 0.053 0.000 1.069 30 R CA -0.456 55.670 56.100 0.043 0.000 1.080 30 R CB 0.984 31.311 30.300 0.045 0.000 1.030 30 R HN 0.368 nan 8.270 nan 0.000 0.491 31 K N 1.363 121.798 120.400 0.058 0.000 2.144 31 K HA 0.274 4.589 4.320 -0.008 0.000 0.270 31 K C -1.244 175.413 176.600 0.095 0.000 1.005 31 K CA -0.343 55.986 56.287 0.070 0.000 0.932 31 K CB 1.676 34.215 32.500 0.065 0.000 1.021 31 K HN 0.260 nan 8.250 nan 0.000 0.462 32 V N 4.452 124.432 119.914 0.110 0.000 2.378 32 V HA 0.212 4.327 4.120 -0.008 0.000 0.288 32 V C -1.043 175.152 176.094 0.168 0.000 1.016 32 V CA -0.955 61.432 62.300 0.145 0.000 0.840 32 V CB 0.924 32.826 31.823 0.132 0.000 0.994 32 V HN 0.625 nan 8.190 nan 0.000 0.431 33 Y N 5.938 126.260 120.300 0.037 0.000 2.393 33 Y HA 0.446 4.991 4.550 -0.008 0.000 0.338 33 Y C 0.636 176.538 175.900 0.003 0.000 1.029 33 Y CA -0.280 57.787 58.100 -0.055 0.000 1.239 33 Y CB 1.027 39.374 38.460 -0.190 0.000 1.170 33 Y HN 0.620 nan 8.280 nan 0.000 0.515 34 M N 5.549 124.938 119.600 -0.351 0.000 3.189 34 M HA 0.139 4.614 4.480 -0.008 0.000 0.365 34 M C -0.640 175.395 176.300 -0.441 0.000 1.447 34 M CA 0.081 55.253 55.300 -0.214 0.000 0.739 34 M CB 0.522 33.119 32.600 -0.005 0.000 1.411 34 M HN 0.520 nan 8.290 nan 0.000 0.494 35 D N -0.809 118.922 120.400 -1.114 0.000 2.804 35 D HA 0.182 4.817 4.640 -0.008 0.000 0.308 35 D C 0.703 176.690 176.300 -0.520 0.000 1.371 35 D CA -0.103 53.445 54.000 -0.754 0.000 0.823 35 D CB 0.265 40.653 40.800 -0.687 0.000 1.126 35 D HN 0.233 nan 8.370 nan 0.000 0.467 36 Y N -0.070 120.122 120.300 -0.180 0.000 2.384 36 Y HA -0.135 4.410 4.550 -0.008 0.000 0.289 36 Y C 1.932 177.835 175.900 0.004 0.000 1.152 36 Y CA 0.845 58.976 58.100 0.051 0.000 1.258 36 Y CB -0.160 38.350 38.460 0.084 0.000 0.979 36 Y HN 0.109 nan 8.280 nan 0.000 0.549 37 N N -0.375 118.386 118.700 0.102 0.000 2.331 37 N HA -0.089 4.646 4.740 -0.008 0.000 0.180 37 N C 1.864 177.391 175.510 0.030 0.000 1.019 37 N CA 1.046 54.132 53.050 0.060 0.000 0.881 37 N CB -0.335 38.182 38.487 0.050 0.000 0.972 37 N HN 0.381 nan 8.380 nan 0.000 0.435 38 A N -1.280 121.554 122.820 0.024 0.000 1.874 38 A HA 0.119 4.434 4.320 -0.008 0.000 0.214 38 A C 1.126 178.771 177.584 0.102 0.000 1.189 38 A CA 1.225 53.293 52.037 0.052 0.000 0.615 38 A CB -0.016 19.005 19.000 0.034 0.000 0.830 38 A HN 0.250 nan 8.150 nan 0.000 0.443 39 T N -1.972 112.649 114.554 0.112 0.000 2.827 39 T HA 0.484 4.829 4.350 -0.008 0.000 0.328 39 T C -1.098 173.638 174.700 0.060 0.000 1.598 39 T CA 0.072 62.251 62.100 0.132 0.000 1.043 39 T CB 1.191 70.181 68.868 0.204 0.000 1.447 39 T HN 0.620 nan 8.240 nan 0.000 0.491 40 T N 1.757 116.269 114.554 -0.070 0.000 2.912 40 T HA 0.859 5.205 4.350 -0.008 0.000 0.288 40 T C -2.753 171.782 174.700 -0.274 0.000 1.030 40 T CA -1.717 60.223 62.100 -0.268 0.000 1.020 40 T CB 1.556 69.960 68.868 -0.774 0.000 1.056 40 T HN 0.470 nan 8.240 nan 0.000 0.480 41 P HA 0.335 nan 4.420 nan 0.000 0.274 41 P C -0.442 176.858 177.300 0.001 0.000 1.246 41 P CA -0.749 62.286 63.100 -0.108 0.000 0.795 41 P CB 0.675 32.360 31.700 -0.026 0.000 1.006 42 L N 1.230 122.476 121.223 0.038 0.000 2.380 42 L HA 0.147 4.482 4.340 -0.008 0.000 0.273 42 L C 1.302 178.267 176.870 0.158 0.000 1.138 42 L CA -0.324 54.569 54.840 0.088 0.000 0.832 42 L CB -0.010 42.072 42.059 0.039 0.000 1.124 42 L HN 0.307 nan 8.230 nan 0.000 0.454 43 E N 4.087 124.404 120.200 0.194 0.000 2.384 43 E HA 0.010 4.355 4.350 -0.008 0.000 0.266 43 E C -1.546 175.105 176.600 0.085 0.000 1.012 43 E CA -1.406 55.072 56.400 0.130 0.000 0.901 43 E CB 0.859 30.617 29.700 0.097 0.000 0.967 43 E HN 0.358 nan 8.360 nan 0.000 0.435 44 P HA -0.213 nan 4.420 nan 0.000 0.218 44 P C 0.848 178.179 177.300 0.051 0.000 1.154 44 P CA 1.570 64.701 63.100 0.051 0.000 0.872 44 P CB 0.286 32.010 31.700 0.041 0.000 0.790 45 E N -1.038 119.194 120.200 0.053 0.000 2.150 45 E HA -0.099 4.247 4.350 -0.008 0.000 0.193 45 E C 1.935 178.572 176.600 0.061 0.000 0.985 45 E CA 0.823 57.255 56.400 0.054 0.000 0.814 45 E CB -0.425 29.308 29.700 0.055 0.000 0.752 45 E HN 0.058 nan 8.360 nan 0.000 0.466 46 V N 1.280 121.235 119.914 0.069 0.000 2.307 46 V HA -0.240 3.875 4.120 -0.008 0.000 0.245 46 V C 2.199 178.325 176.094 0.053 0.000 1.045 46 V CA 1.432 63.772 62.300 0.068 0.000 1.024 46 V CB -0.341 31.530 31.823 0.080 0.000 0.651 46 V HN 0.269 nan 8.190 nan 0.000 0.449 47 I N 0.258 120.859 120.570 0.051 0.000 2.264 47 I HA -0.306 3.859 4.170 -0.008 0.000 0.248 47 I C 2.711 178.860 176.117 0.054 0.000 1.111 47 I CA 1.931 63.258 61.300 0.045 0.000 1.382 47 I CB -0.438 37.587 38.000 0.042 0.000 1.060 47 I HN 0.446 nan 8.210 nan 0.000 0.418 48 Q N 1.616 121.450 119.800 0.057 0.000 2.079 48 Q HA -0.213 4.122 4.340 -0.008 0.000 0.200 48 Q C 2.274 178.315 176.000 0.068 0.000 0.974 48 Q CA 1.925 57.766 55.803 0.063 0.000 0.840 48 Q CB -0.097 28.673 28.738 0.053 0.000 0.898 48 Q HN 0.510 nan 8.270 nan 0.000 0.430 49 A N 1.017 123.873 122.820 0.060 0.000 1.930 49 A HA -0.119 4.197 4.320 -0.008 0.000 0.217 49 A C 2.145 179.762 177.584 0.056 0.000 1.175 49 A CA 1.435 53.507 52.037 0.058 0.000 0.627 49 A CB -0.459 18.573 19.000 0.054 0.000 0.815 49 A HN 0.474 nan 8.150 nan 0.000 0.443 50 M N -0.958 118.670 119.600 0.048 0.000 2.132 50 M HA -0.106 4.370 4.480 -0.008 0.000 0.263 50 M C 2.214 178.546 176.300 0.053 0.000 1.065 50 M CA 1.887 57.208 55.300 0.034 0.000 1.122 50 M CB -0.739 31.871 32.600 0.016 0.000 1.365 50 M HN 0.393 nan 8.290 nan 0.000 0.411 51 T N 0.418 115.023 114.554 0.085 0.000 2.737 51 T HA -0.154 4.192 4.350 -0.008 0.000 0.265 51 T C 1.792 176.645 174.700 0.255 0.000 1.038 51 T CA 1.255 63.444 62.100 0.148 0.000 1.144 51 T CB -0.216 68.753 68.868 0.168 0.000 0.866 51 T HN 0.337 nan 8.240 nan 0.000 0.434 52 K N 0.935 121.456 120.400 0.200 0.000 2.074 52 K HA -0.118 4.198 4.320 -0.008 0.000 0.209 52 K C 2.453 179.172 176.600 0.198 0.000 1.048 52 K CA 1.407 57.815 56.287 0.202 0.000 0.926 52 K CB -0.292 32.281 32.500 0.122 0.000 0.713 52 K HN 0.307 nan 8.250 nan 0.000 0.444 53 A N 0.780 123.678 122.820 0.129 0.000 1.929 53 A HA -0.123 4.192 4.320 -0.008 0.000 0.216 53 A C 2.074 179.722 177.584 0.107 0.000 1.176 53 A CA 1.329 53.425 52.037 0.098 0.000 0.628 53 A CB -0.385 18.644 19.000 0.047 0.000 0.816 53 A HN 0.307 nan 8.150 nan 0.000 0.444 54 M N -2.198 117.439 119.600 0.061 0.000 2.106 54 M HA -0.243 4.232 4.480 -0.008 0.000 0.259 54 M C 2.066 178.343 176.300 -0.038 0.000 1.068 54 M CA 1.801 57.072 55.300 -0.050 0.000 1.100 54 M CB -0.337 32.143 32.600 -0.200 0.000 1.351 54 M HN 0.687 nan 8.290 nan 0.000 0.404 55 W N -0.161 121.200 121.300 0.101 0.000 2.525 55 W HA -0.021 4.634 4.660 -0.008 0.000 0.288 55 W C 2.262 178.917 176.519 0.228 0.000 1.200 55 W CA 0.533 57.946 57.345 0.113 0.000 1.349 55 W CB 0.129 29.628 29.460 0.065 0.000 1.102 55 W HN 0.165 nan 8.180 nan 0.000 0.558 56 E N -0.799 119.656 120.200 0.425 0.000 2.290 56 E HA 0.151 4.496 4.350 -0.008 0.000 0.197 56 E C 0.983 177.707 176.600 0.206 0.000 0.948 56 E CA 0.449 57.038 56.400 0.316 0.000 0.895 56 E CB 0.298 30.115 29.700 0.195 0.000 0.865 56 E HN 0.029 nan 8.360 nan 0.000 0.486 57 A N 1.663 124.580 122.820 0.161 0.000 3.041 57 A HA 0.100 4.415 4.320 -0.008 0.000 0.307 57 A C 0.771 178.369 177.584 0.024 0.000 1.116 57 A CA -0.747 51.299 52.037 0.016 0.000 1.001 57 A CB -0.781 18.233 19.000 0.024 0.000 1.112 57 A HN 0.444 nan 8.150 nan 0.000 0.556 58 W N -0.416 120.900 121.300 0.026 0.000 2.770 58 W HA 0.233 4.888 4.660 -0.008 0.000 0.256 58 W C 0.361 176.885 176.519 0.009 0.000 1.291 58 W CA 0.294 57.639 57.345 0.000 0.000 1.396 58 W CB -0.808 28.646 29.460 -0.009 0.000 1.114 58 W HN 0.391 nan 8.180 nan 0.000 0.637 59 G N 2.120 110.500 108.800 -0.701 0.000 2.606 59 G HA2 -0.048 3.907 3.960 -0.008 0.000 0.252 59 G HA3 -0.048 3.907 3.960 -0.008 0.000 0.252 59 G C -0.185 174.590 174.900 -0.208 0.000 1.206 59 G CA -0.706 43.996 45.100 -0.663 0.000 0.861 59 G HN 0.048 nan 8.290 nan 0.000 0.561 60 N N 0.928 119.561 118.700 -0.111 0.000 2.411 60 N HA 0.024 4.759 4.740 -0.008 0.000 0.265 60 N C -1.356 174.115 175.510 -0.064 0.000 1.266 60 N CA -1.055 51.970 53.050 -0.042 0.000 0.889 60 N CB 1.471 39.956 38.487 -0.003 0.000 1.069 60 N HN 0.021 nan 8.380 nan 0.000 0.476 61 P HA -0.103 nan 4.420 nan 0.000 0.219 61 P C 0.622 177.899 177.300 -0.038 0.000 1.144 61 P CA 1.247 64.323 63.100 -0.041 0.000 0.806 61 P CB 0.297 31.986 31.700 -0.018 0.000 0.771 62 S N -1.629 114.051 115.700 -0.033 0.000 2.562 62 S HA 0.024 4.489 4.470 -0.008 0.000 0.221 62 S C 1.007 175.571 174.600 -0.060 0.000 0.975 62 S CA 0.080 58.259 58.200 -0.035 0.000 0.918 62 S CB -0.548 62.639 63.200 -0.021 0.000 0.772 62 S HN 0.258 nan 8.310 nan 0.000 0.531 63 S N 2.465 118.122 115.700 -0.072 0.000 2.610 63 S HA 0.302 4.767 4.470 -0.008 0.000 0.273 63 S C -2.019 172.465 174.600 -0.193 0.000 1.274 63 S CA -1.224 56.909 58.200 -0.112 0.000 1.023 63 S CB 1.106 64.290 63.200 -0.028 0.000 0.962 63 S HN 0.046 nan 8.310 nan 0.000 0.523 64 P HA 0.159 nan 4.420 nan 0.000 0.253 64 P C -0.655 176.358 177.300 -0.477 0.000 1.260 64 P CA 0.079 62.933 63.100 -0.411 0.000 0.800 64 P CB -0.319 31.088 31.700 -0.489 0.000 1.162 65 Y N 0.155 120.413 120.300 -0.070 0.000 2.432 65 Y HA 0.173 4.718 4.550 -0.008 0.000 0.322 65 Y C 2.398 178.231 175.900 -0.111 0.000 1.246 65 Y CA -0.549 57.503 58.100 -0.080 0.000 1.268 65 Y CB 0.825 39.233 38.460 -0.086 0.000 1.276 65 Y HN -0.188 nan 8.280 nan 0.000 0.499 66 S N 0.269 116.019 115.700 0.083 0.000 2.383 66 S HA -0.202 4.263 4.470 -0.008 0.000 0.227 66 S C 1.913 176.464 174.600 -0.082 0.000 1.026 66 S CA 0.950 59.150 58.200 0.001 0.000 0.981 66 S CB -0.676 62.540 63.200 0.027 0.000 0.818 66 S HN 0.775 nan 8.310 nan 0.000 0.472 67 A N 1.532 124.235 122.820 -0.195 0.000 1.969 67 A HA 0.283 4.598 4.320 -0.008 0.000 0.218 67 A C 2.340 179.704 177.584 -0.367 0.000 1.169 67 A CA 1.378 53.169 52.037 -0.409 0.000 0.635 67 A CB -1.610 16.755 19.000 -1.058 0.000 0.810 67 A HN 0.665 nan 8.150 nan 0.000 0.445 68 G N -0.454 108.174 108.800 -0.287 0.000 2.402 68 G HA2 -0.168 3.787 3.960 -0.008 0.000 0.216 68 G HA3 -0.168 3.787 3.960 -0.008 0.000 0.216 68 G C 1.680 176.510 174.900 -0.116 0.000 1.162 68 G CA 0.574 45.562 45.100 -0.187 0.000 0.777 68 G HN 0.434 nan 8.290 nan 0.000 0.539 69 R N 0.751 121.194 120.500 -0.095 0.000 2.081 69 R HA -0.001 4.334 4.340 -0.008 0.000 0.235 69 R C 2.455 178.726 176.300 -0.048 0.000 1.131 69 R CA 1.093 57.156 56.100 -0.062 0.000 0.960 69 R CB -0.506 29.765 30.300 -0.048 0.000 0.856 69 R HN 0.350 nan 8.270 nan 0.000 0.436 70 K N 0.654 121.020 120.400 -0.056 0.000 2.057 70 K HA -0.049 4.266 4.320 -0.008 0.000 0.207 70 K C 2.223 178.805 176.600 -0.030 0.000 1.049 70 K CA 1.375 57.642 56.287 -0.032 0.000 0.931 70 K CB -0.205 32.279 32.500 -0.027 0.000 0.714 70 K HN 0.128 nan 8.250 nan 0.000 0.440 71 A N 1.852 124.639 122.820 -0.056 0.000 1.908 71 A HA -0.241 4.074 4.320 -0.008 0.000 0.218 71 A C 2.067 179.634 177.584 -0.028 0.000 1.181 71 A CA 1.771 53.781 52.037 -0.046 0.000 0.627 71 A CB -0.391 18.567 19.000 -0.070 0.000 0.818 71 A HN 0.230 nan 8.150 nan 0.000 0.445 72 K N -0.715 119.669 120.400 -0.028 0.000 2.057 72 K HA -0.206 4.109 4.320 -0.008 0.000 0.206 72 K C 1.793 178.399 176.600 0.009 0.000 1.050 72 K CA 1.577 57.859 56.287 -0.007 0.000 0.935 72 K CB -0.214 32.277 32.500 -0.014 0.000 0.715 72 K HN 0.395 nan 8.250 nan 0.000 0.439 73 D N 0.792 121.194 120.400 0.003 0.000 2.104 73 D HA -0.174 4.461 4.640 -0.008 0.000 0.194 73 D C 1.845 178.160 176.300 0.025 0.000 0.994 73 D CA 0.978 54.987 54.000 0.016 0.000 0.830 73 D CB 0.002 40.808 40.800 0.010 0.000 0.959 73 D HN 0.113 nan 8.370 nan 0.000 0.452 74 I N 0.875 121.454 120.570 0.015 0.000 2.118 74 I HA -0.275 3.890 4.170 -0.008 0.000 0.241 74 I C 2.597 178.726 176.117 0.020 0.000 1.070 74 I CA 1.034 62.342 61.300 0.014 0.000 1.327 74 I CB -1.121 36.876 38.000 -0.005 0.000 1.034 74 I HN 0.179 nan 8.210 nan 0.000 0.405 75 I N 0.621 121.199 120.570 0.014 0.000 2.252 75 I HA -0.275 3.890 4.170 -0.008 0.000 0.245 75 I C 2.207 178.419 176.117 0.157 0.000 1.102 75 I CA 1.010 62.335 61.300 0.042 0.000 1.385 75 I CB -0.473 37.550 38.000 0.039 0.000 1.064 75 I HN 0.260 nan 8.210 nan 0.000 0.414 76 N N 1.322 120.089 118.700 0.112 0.000 2.084 76 N HA -0.135 4.600 4.740 -0.008 0.000 0.190 76 N C 1.945 177.524 175.510 0.116 0.000 1.030 76 N CA 1.730 54.848 53.050 0.113 0.000 0.849 76 N CB -0.483 38.046 38.487 0.071 0.000 1.012 76 N HN 0.347 nan 8.380 nan 0.000 0.423 77 A N 1.036 123.911 122.820 0.093 0.000 1.877 77 A HA 0.031 4.346 4.320 -0.008 0.000 0.216 77 A C 2.365 180.023 177.584 0.124 0.000 1.186 77 A CA 1.999 54.089 52.037 0.088 0.000 0.620 77 A CB -0.944 18.095 19.000 0.066 0.000 0.822 77 A HN 0.316 nan 8.150 nan 0.000 0.443 78 A N -0.490 122.420 122.820 0.150 0.000 1.940 78 A HA -0.205 4.110 4.320 -0.008 0.000 0.219 78 A C 2.255 180.050 177.584 0.353 0.000 1.176 78 A CA 1.808 53.979 52.037 0.223 0.000 0.631 78 A CB -0.496 18.597 19.000 0.156 0.000 0.814 78 A HN 0.544 nan 8.150 nan 0.000 0.446 79 R N -0.344 120.381 120.500 0.374 0.000 2.115 79 R HA -0.127 4.208 4.340 -0.008 0.000 0.230 79 R C 1.952 178.322 176.300 0.116 0.000 1.111 79 R CA 1.606 57.842 56.100 0.226 0.000 0.976 79 R CB -0.167 30.226 30.300 0.155 0.000 0.870 79 R HN 0.717 nan 8.270 nan 0.000 0.445 80 E N -0.596 119.674 120.200 0.117 0.000 2.072 80 E HA -0.084 4.262 4.350 -0.008 0.000 0.190 80 E C 1.982 178.627 176.600 0.076 0.000 0.982 80 E CA 1.291 57.738 56.400 0.078 0.000 0.803 80 E CB 0.111 29.851 29.700 0.068 0.000 0.755 80 E HN 0.218 nan 8.360 nan 0.000 0.453 81 S N 1.158 116.918 115.700 0.100 0.000 2.370 81 S HA -0.127 4.338 4.470 -0.008 0.000 0.226 81 S C 1.861 176.516 174.600 0.091 0.000 1.033 81 S CA 0.741 58.998 58.200 0.095 0.000 1.011 81 S CB -0.115 63.155 63.200 0.117 0.000 0.852 81 S HN 0.142 nan 8.310 nan 0.000 0.457 82 L N 1.414 122.712 121.223 0.125 0.000 2.046 82 L HA -0.043 4.292 4.340 -0.008 0.000 0.208 82 L C 2.735 179.626 176.870 0.035 0.000 1.077 82 L CA 1.847 56.747 54.840 0.099 0.000 0.747 82 L CB -1.930 40.206 42.059 0.128 0.000 0.896 82 L HN 0.325 nan 8.230 nan 0.000 0.432 83 A N -0.318 122.522 122.820 0.033 0.000 1.877 83 A HA -0.231 4.084 4.320 -0.008 0.000 0.216 83 A C 2.379 179.957 177.584 -0.009 0.000 1.186 83 A CA 1.614 53.660 52.037 0.016 0.000 0.620 83 A CB -0.407 18.613 19.000 0.033 0.000 0.822 83 A HN 0.323 nan 8.150 nan 0.000 0.443 84 K N -1.177 119.225 120.400 0.004 0.000 2.113 84 K HA -0.172 4.144 4.320 -0.008 0.000 0.208 84 K C 2.130 178.710 176.600 -0.033 0.000 1.047 84 K CA 1.755 58.036 56.287 -0.010 0.000 0.928 84 K CB -0.271 32.233 32.500 0.006 0.000 0.716 84 K HN 0.614 nan 8.250 nan 0.000 0.446 85 M N 0.971 120.549 119.600 -0.036 0.000 2.159 85 M HA -0.138 4.338 4.480 -0.008 0.000 0.263 85 M C 1.807 178.043 176.300 -0.106 0.000 1.063 85 M CA 1.664 56.919 55.300 -0.075 0.000 1.110 85 M CB 0.027 32.567 32.600 -0.099 0.000 1.374 85 M HN 0.210 nan 8.290 nan 0.000 0.411 86 I N -4.064 116.437 120.570 -0.114 0.000 4.018 86 I HA 0.417 4.582 4.170 -0.008 0.000 0.337 86 I C 0.949 176.960 176.117 -0.178 0.000 1.327 86 I CA 0.420 61.622 61.300 -0.164 0.000 1.100 86 I CB -0.141 37.733 38.000 -0.210 0.000 1.025 86 I HN 0.396 nan 8.210 nan 0.000 0.396 87 G N 1.411 110.138 108.800 -0.121 0.000 2.198 87 G HA2 -0.155 3.800 3.960 -0.008 0.000 0.257 87 G HA3 -0.155 3.800 3.960 -0.008 0.000 0.257 87 G C 0.305 175.144 174.900 -0.102 0.000 1.042 87 G CA 0.045 45.086 45.100 -0.098 0.000 0.791 87 G HN 0.865 nan 8.290 nan 0.000 0.502 88 G N -1.097 107.648 108.800 -0.091 0.000 2.990 88 G HA2 0.743 4.698 3.960 -0.008 0.000 0.208 88 G HA3 0.743 4.698 3.960 -0.008 0.000 0.208 88 G C -0.568 174.359 174.900 0.044 0.000 1.334 88 G CA -0.756 44.334 45.100 -0.015 0.000 1.024 88 G HN 0.348 nan 8.290 nan 0.000 0.574 89 K N 0.739 121.200 120.400 0.102 0.000 2.259 89 K HA 0.431 4.747 4.320 -0.008 0.000 0.252 89 K C -1.681 174.958 176.600 0.064 0.000 0.936 89 K CA -2.075 54.253 56.287 0.069 0.000 0.810 89 K CB 2.773 35.315 32.500 0.069 0.000 1.143 89 K HN 0.071 nan 8.250 nan 0.000 0.427 90 P HA -0.205 nan 4.420 nan 0.000 0.217 90 P C 0.324 177.630 177.300 0.010 0.000 1.148 90 P CA 1.347 64.464 63.100 0.027 0.000 0.828 90 P CB 0.447 32.169 31.700 0.037 0.000 0.783 91 Q N -0.216 119.595 119.800 0.018 0.000 2.364 91 Q HA -0.105 4.231 4.340 -0.008 0.000 0.209 91 Q C 1.343 177.320 176.000 -0.038 0.000 0.977 91 Q CA 1.162 56.967 55.803 0.004 0.000 0.885 91 Q CB -0.763 27.985 28.738 0.016 0.000 0.941 91 Q HN 0.305 nan 8.270 nan 0.000 0.464 92 D N -0.801 119.578 120.400 -0.034 0.000 2.328 92 D HA 0.050 4.685 4.640 -0.008 0.000 0.221 92 D C -0.276 175.949 176.300 -0.125 0.000 1.072 92 D CA 0.253 54.180 54.000 -0.122 0.000 0.850 92 D CB 0.464 41.205 40.800 -0.098 0.000 0.922 92 D HN 0.137 nan 8.370 nan 0.000 0.516 93 I N 2.130 122.649 120.570 -0.086 0.000 2.406 93 I HA 0.341 4.506 4.170 -0.008 0.000 0.290 93 I C 0.333 176.316 176.117 -0.224 0.000 0.999 93 I CA -1.103 60.119 61.300 -0.131 0.000 1.124 93 I CB 1.386 39.288 38.000 -0.164 0.000 1.289 93 I HN -0.137 nan 8.210 nan 0.000 0.441 94 I N 2.042 122.484 120.570 -0.213 0.000 2.530 94 I HA 0.588 4.753 4.170 -0.008 0.000 0.297 94 I C -1.100 174.883 176.117 -0.223 0.000 1.011 94 I CA -0.655 60.534 61.300 -0.185 0.000 1.107 94 I CB 1.937 39.919 38.000 -0.030 0.000 1.285 94 I HN 0.154 nan 8.210 nan 0.000 0.436 95 F N 3.161 123.157 119.950 0.076 0.000 2.384 95 F HA 0.556 5.079 4.527 -0.006 0.000 0.338 95 F C 1.068 176.904 175.800 0.059 0.000 1.103 95 F CA 0.025 58.067 58.000 0.071 0.000 1.157 95 F CB 1.833 40.870 39.000 0.062 0.000 1.167 95 F HN 0.721 nan 8.300 nan 0.000 0.529 96 T N -2.492 112.218 114.554 0.260 0.000 2.804 96 T HA 0.266 4.612 4.350 -0.008 0.000 0.290 96 T C 0.681 175.456 174.700 0.126 0.000 1.099 96 T CA -0.166 62.026 62.100 0.152 0.000 1.011 96 T CB 1.281 70.211 68.868 0.104 0.000 1.291 96 T HN 0.495 nan 8.240 nan 0.000 0.523 97 S N -0.833 114.912 115.700 0.076 0.000 2.561 97 S HA 0.506 4.971 4.470 -0.008 0.000 0.225 97 S C 1.118 175.745 174.600 0.047 0.000 0.977 97 S CA 0.430 58.659 58.200 0.048 0.000 0.926 97 S CB -0.971 62.244 63.200 0.024 0.000 0.769 97 S HN 1.807 nan 8.310 nan 0.000 0.533 98 G N -0.991 107.850 108.800 0.068 0.000 2.341 98 G HA2 0.399 4.354 3.960 -0.008 0.000 0.293 98 G HA3 0.399 4.354 3.960 -0.008 0.000 0.293 98 G C 0.393 175.340 174.900 0.079 0.000 1.298 98 G CA -0.210 44.934 45.100 0.074 0.000 0.868 98 G HN 0.422 nan 8.290 nan 0.000 0.540 99 G N -0.960 107.888 108.800 0.081 0.000 2.422 99 G HA2 0.062 4.017 3.960 -0.008 0.000 0.218 99 G HA3 0.062 4.017 3.960 -0.008 0.000 0.218 99 G C 1.720 176.648 174.900 0.047 0.000 1.146 99 G CA 2.552 47.686 45.100 0.057 0.000 0.769 99 G HN 0.921 nan 8.290 nan 0.000 0.547 100 T N 0.246 114.830 114.554 0.051 0.000 2.708 100 T HA -0.089 4.257 4.350 -0.008 0.000 0.266 100 T C 2.109 176.828 174.700 0.032 0.000 1.037 100 T CA 1.492 63.627 62.100 0.059 0.000 1.146 100 T CB -0.146 68.762 68.868 0.067 0.000 0.865 100 T HN 0.527 nan 8.240 nan 0.000 0.435 101 E N 0.685 120.900 120.200 0.026 0.000 2.051 101 E HA -0.131 4.214 4.350 -0.008 0.000 0.192 101 E C 2.344 178.948 176.600 0.006 0.000 0.991 101 E CA 1.265 57.670 56.400 0.009 0.000 0.799 101 E CB -0.063 29.646 29.700 0.015 0.000 0.748 101 E HN 0.349 nan 8.360 nan 0.000 0.449 102 S N 1.029 116.746 115.700 0.030 0.000 2.370 102 S HA -0.146 4.319 4.470 -0.008 0.000 0.226 102 S C 1.689 176.272 174.600 -0.029 0.000 1.033 102 S CA 1.250 59.467 58.200 0.028 0.000 1.011 102 S CB -0.344 62.905 63.200 0.082 0.000 0.852 102 S HN 0.317 nan 8.310 nan 0.000 0.457 103 N N 1.756 120.448 118.700 -0.015 0.000 2.142 103 N HA 0.037 4.772 4.740 -0.008 0.000 0.186 103 N C 1.501 176.939 175.510 -0.121 0.000 1.023 103 N CA 0.743 53.745 53.050 -0.080 0.000 0.852 103 N CB -0.673 37.831 38.487 0.027 0.000 0.998 103 N HN 0.424 nan 8.380 nan 0.000 0.424 104 N N 0.810 119.475 118.700 -0.058 0.000 2.104 104 N HA -0.149 4.586 4.740 -0.008 0.000 0.190 104 N C 1.713 177.197 175.510 -0.044 0.000 1.024 104 N CA 0.670 53.689 53.050 -0.052 0.000 0.853 104 N CB -0.176 38.288 38.487 -0.037 0.000 1.008 104 N HN 0.101 nan 8.380 nan 0.000 0.424 105 L N 1.700 122.891 121.223 -0.052 0.000 2.012 105 L HA -0.127 4.208 4.340 -0.008 0.000 0.210 105 L C 2.227 179.057 176.870 -0.067 0.000 1.073 105 L CA 1.321 56.149 54.840 -0.019 0.000 0.748 105 L CB -0.733 41.314 42.059 -0.020 0.000 0.891 105 L HN -0.104 nan 8.230 nan 0.000 0.431 106 V N -0.035 119.729 119.914 -0.250 0.000 2.252 106 V HA -0.364 3.752 4.120 -0.008 0.000 0.249 106 V C 2.521 178.442 176.094 -0.287 0.000 1.056 106 V CA 2.443 64.437 62.300 -0.510 0.000 1.022 106 V CB -0.558 30.744 31.823 -0.869 0.000 0.641 106 V HN 0.446 nan 8.190 nan 0.000 0.445 107 I N -0.488 119.973 120.570 -0.182 0.000 2.179 107 I HA -0.308 3.858 4.170 -0.008 0.000 0.242 107 I C 2.555 178.697 176.117 0.042 0.000 1.088 107 I CA 2.267 63.528 61.300 -0.064 0.000 1.357 107 I CB -0.605 37.264 38.000 -0.218 0.000 1.051 107 I HN 0.449 nan 8.210 nan 0.000 0.409 108 H N 0.182 119.226 119.070 -0.044 0.000 2.319 108 H HA -0.205 4.346 4.556 -0.008 0.000 0.299 108 H C 2.446 177.800 175.328 0.043 0.000 1.092 108 H CA 2.188 58.243 56.048 0.012 0.000 1.302 108 H CB -0.111 29.663 29.762 0.020 0.000 1.373 108 H HN 0.191 nan 8.280 nan 0.000 0.497 109 S N -0.985 114.724 115.700 0.015 0.000 2.368 109 S HA -0.119 4.346 4.470 -0.008 0.000 0.225 109 S C 2.269 176.863 174.600 -0.010 0.000 1.030 109 S CA 1.209 59.437 58.200 0.047 0.000 0.999 109 S CB -0.611 62.690 63.200 0.167 0.000 0.844 109 S HN 0.312 nan 8.310 nan 0.000 0.459 110 V N 1.639 121.566 119.914 0.023 0.000 2.343 110 V HA -0.131 3.985 4.120 -0.008 0.000 0.247 110 V C 2.473 178.538 176.094 -0.048 0.000 1.051 110 V CA 1.767 64.090 62.300 0.039 0.000 1.036 110 V CB -0.743 31.106 31.823 0.044 0.000 0.654 110 V HN 0.428 nan 8.190 nan 0.000 0.451 111 V N -0.208 119.669 119.914 -0.060 0.000 2.255 111 V HA -0.245 3.870 4.120 -0.008 0.000 0.247 111 V C 2.615 178.459 176.094 -0.416 0.000 1.051 111 V CA 1.843 63.995 62.300 -0.247 0.000 1.018 111 V CB -0.790 30.919 31.823 -0.190 0.000 0.641 111 V HN 0.443 nan 8.190 nan 0.000 0.445 112 K N -0.449 119.718 120.400 -0.388 0.000 2.057 112 K HA -0.191 4.124 4.320 -0.008 0.000 0.207 112 K C 2.095 178.350 176.600 -0.575 0.000 1.049 112 K CA 1.763 57.807 56.287 -0.404 0.000 0.931 112 K CB -0.932 31.313 32.500 -0.426 0.000 0.714 112 K HN 0.718 nan 8.250 nan 0.000 0.440 113 H N -1.045 117.542 119.070 -0.805 0.000 2.353 113 H HA -0.121 4.429 4.556 -0.009 0.000 0.300 113 H C 2.051 177.246 175.328 -0.222 0.000 1.090 113 H CA 1.390 57.054 56.048 -0.640 0.000 1.327 113 H CB -0.042 29.576 29.762 -0.241 0.000 1.383 113 H HN 0.165 nan 8.280 nan 0.000 0.508 114 F N 0.863 120.649 119.950 -0.272 0.000 2.134 114 F HA -0.258 4.264 4.527 -0.009 0.000 0.299 114 F C 2.426 178.178 175.800 -0.080 0.000 1.097 114 F CA 1.543 59.398 58.000 -0.241 0.000 1.264 114 F CB -0.243 38.599 39.000 -0.263 0.000 1.001 114 F HN 0.258 nan 8.300 nan 0.000 0.479 115 H N 0.109 119.248 119.070 0.116 0.000 2.353 115 H HA -0.042 4.510 4.556 -0.007 0.000 0.300 115 H C 2.405 177.714 175.328 -0.031 0.000 1.090 115 H CA 1.090 57.168 56.048 0.051 0.000 1.327 115 H CB -1.146 28.646 29.762 0.050 0.000 1.383 115 H HN 0.382 nan 8.280 nan 0.000 0.508 116 A N 1.404 124.279 122.820 0.092 0.000 1.908 116 A HA -0.211 4.104 4.320 -0.008 0.000 0.218 116 A C 2.190 179.796 177.584 0.038 0.000 1.181 116 A CA 1.870 53.964 52.037 0.095 0.000 0.627 116 A CB -0.310 18.799 19.000 0.182 0.000 0.818 116 A HN 0.394 nan 8.150 nan 0.000 0.445 117 N N -0.421 118.244 118.700 -0.057 0.000 2.409 117 N HA -0.115 4.620 4.740 -0.008 0.000 0.179 117 N C 1.912 177.304 175.510 -0.197 0.000 1.032 117 N CA 1.438 54.400 53.050 -0.147 0.000 0.898 117 N CB -0.212 38.108 38.487 -0.278 0.000 0.971 117 N HN 0.928 nan 8.380 nan 0.000 0.441 118 Q N 0.121 119.798 119.800 -0.205 0.000 2.274 118 Q HA 0.035 4.370 4.340 -0.008 0.000 0.198 118 Q C 0.424 176.392 176.000 -0.052 0.000 0.955 118 Q CA 0.654 56.369 55.803 -0.147 0.000 0.859 118 Q CB -0.118 28.533 28.738 -0.145 0.000 0.956 118 Q HN 0.125 nan 8.270 nan 0.000 0.516 134 A N 0.703 123.610 122.820 0.146 0.000 2.445 134 A HA 0.700 5.015 4.320 -0.008 0.000 0.242 134 A C 0.380 178.109 177.584 0.242 0.000 1.075 134 A CA 0.309 52.470 52.037 0.206 0.000 0.777 134 A CB 0.514 19.696 19.000 0.303 0.000 1.013 134 A HN 0.382 nan 8.150 nan 0.000 0.493 135 K N 2.120 122.532 120.400 0.020 0.000 2.318 135 K HA 0.555 4.870 4.320 -0.008 0.000 0.249 135 K C -2.880 173.288 176.600 -0.720 0.000 0.942 135 K CA -1.940 54.187 56.287 -0.267 0.000 0.808 135 K CB 1.802 34.231 32.500 -0.117 0.000 1.189 135 K HN 0.469 nan 8.250 nan 0.000 0.428 136 P HA -0.001 nan 4.420 nan 0.000 0.274 136 P C -1.215 175.851 177.300 -0.391 0.000 1.231 136 P CA 0.035 62.513 63.100 -1.036 0.000 0.790 136 P CB 0.658 31.750 31.700 -1.013 0.000 0.951 137 H N 2.056 120.864 119.070 -0.437 0.000 2.495 137 H HA 0.456 5.007 4.556 -0.009 0.000 0.348 137 H C -1.366 173.736 175.328 -0.377 0.000 1.113 137 H CA -0.665 55.238 56.048 -0.242 0.000 1.195 137 H CB 0.681 30.350 29.762 -0.155 0.000 1.521 137 H HN 0.169 nan 8.280 nan 0.000 0.509 138 F N 3.909 123.430 119.950 -0.714 0.000 2.522 138 F HA 0.461 4.983 4.527 -0.008 0.000 0.324 138 F C -0.007 175.341 175.800 -0.752 0.000 1.077 138 F CA -0.807 56.842 58.000 -0.586 0.000 0.944 138 F CB 1.644 40.416 39.000 -0.380 0.000 1.175 138 F HN 0.349 nan 8.300 nan 0.000 0.468 139 I N 1.614 122.016 120.570 -0.281 0.000 2.418 139 I HA 0.487 4.653 4.170 -0.008 0.000 0.287 139 I C -0.059 175.987 176.117 -0.118 0.000 1.008 139 I CA -0.094 61.079 61.300 -0.212 0.000 1.104 139 I CB 2.070 40.005 38.000 -0.108 0.000 1.264 139 I HN 0.644 nan 8.210 nan 0.000 0.438 140 T N 2.945 117.400 114.554 -0.166 0.000 2.626 140 T HA 0.578 4.923 4.350 -0.008 0.000 0.279 140 T C -0.607 174.087 174.700 -0.009 0.000 0.983 140 T CA -0.386 61.670 62.100 -0.073 0.000 1.059 140 T CB 1.595 70.408 68.868 -0.091 0.000 1.396 140 T HN 0.630 nan 8.240 nan 0.000 0.519 141 S N -0.010 115.732 115.700 0.070 0.000 2.681 141 S HA 0.436 4.902 4.470 -0.008 0.000 0.299 141 S C 1.217 175.921 174.600 0.172 0.000 1.113 141 S CA 0.189 58.439 58.200 0.083 0.000 1.013 141 S CB 1.258 64.480 63.200 0.037 0.000 1.076 141 S HN 0.958 nan 8.310 nan 0.000 0.534 142 S N -0.161 115.591 115.700 0.087 0.000 2.603 142 S HA 0.007 4.472 4.470 -0.008 0.000 0.229 142 S C 1.003 175.585 174.600 -0.031 0.000 0.972 142 S CA 0.330 58.554 58.200 0.041 0.000 0.935 142 S CB -0.959 62.221 63.200 -0.033 0.000 0.769 142 S HN 1.538 nan 8.310 nan 0.000 0.536 143 V N -2.751 117.154 119.914 -0.015 0.000 3.111 143 V HA 0.441 4.556 4.120 -0.008 0.000 0.343 143 V C -0.234 175.905 176.094 0.076 0.000 1.417 143 V CA -0.803 61.486 62.300 -0.020 0.000 1.142 143 V CB -0.183 31.551 31.823 -0.149 0.000 1.114 143 V HN 0.076 nan 8.190 nan 0.000 0.520 144 E N 1.589 121.853 120.200 0.106 0.000 2.390 144 E HA 0.181 4.526 4.350 -0.008 0.000 0.261 144 E C 0.127 176.825 176.600 0.163 0.000 1.076 144 E CA -0.073 56.416 56.400 0.149 0.000 0.905 144 E CB 0.539 30.342 29.700 0.171 0.000 0.984 144 E HN 0.611 nan 8.360 nan 0.000 0.427 145 H N 2.014 121.143 119.070 0.100 0.000 2.929 145 H HA -0.089 4.462 4.556 -0.008 0.000 0.358 145 H C 0.269 175.653 175.328 0.093 0.000 1.111 145 H CA 0.245 56.347 56.048 0.091 0.000 1.409 145 H CB 0.797 30.603 29.762 0.073 0.000 1.373 145 H HN 0.362 nan 8.280 nan 0.000 0.610 146 D N 2.053 122.211 120.400 -0.404 0.000 2.203 146 D HA -0.188 4.447 4.640 -0.008 0.000 0.199 146 D C 2.008 178.321 176.300 0.023 0.000 0.997 146 D CA 1.906 55.807 54.000 -0.165 0.000 0.863 146 D CB -0.137 40.523 40.800 -0.232 0.000 0.928 146 D HN 0.595 nan 8.370 nan 0.000 0.458 147 S N -0.861 114.980 115.700 0.234 0.000 2.522 147 S HA -0.000 4.465 4.470 -0.008 0.000 0.227 147 S C 1.740 176.427 174.600 0.144 0.000 0.986 147 S CA 0.134 58.470 58.200 0.226 0.000 0.929 147 S CB 0.163 63.543 63.200 0.300 0.000 0.769 147 S HN 0.132 nan 8.310 nan 0.000 0.529 148 I N 1.347 122.014 120.570 0.161 0.000 2.899 148 I HA 0.208 4.373 4.170 -0.008 0.000 0.257 148 I C 2.722 178.900 176.117 0.102 0.000 1.115 148 I CA 0.397 61.760 61.300 0.105 0.000 1.451 148 I CB -0.971 37.117 38.000 0.146 0.000 1.251 148 I HN 0.315 nan 8.210 nan 0.000 0.456 149 R N 1.367 121.951 120.500 0.140 0.000 2.096 149 R HA -0.163 4.173 4.340 -0.008 0.000 0.240 149 R C 2.291 178.664 176.300 0.121 0.000 1.139 149 R CA 1.644 57.849 56.100 0.176 0.000 0.952 149 R CB -0.166 30.177 30.300 0.073 0.000 0.854 149 R HN 0.265 nan 8.270 nan 0.000 0.436 150 L N 0.510 121.769 121.223 0.060 0.000 2.095 150 L HA -0.017 4.318 4.340 -0.008 0.000 0.204 150 L C -0.706 176.196 176.870 0.054 0.000 1.080 150 L CA 0.521 55.387 54.840 0.042 0.000 0.759 150 L CB -1.092 40.976 42.059 0.015 0.000 0.914 150 L HN 0.256 nan 8.230 nan 0.000 0.439 151 P HA -0.197 nan 4.420 nan 0.000 0.216 151 P C 1.904 179.206 177.300 0.003 0.000 1.150 151 P CA 1.513 64.620 63.100 0.012 0.000 0.837 151 P CB 0.090 31.769 31.700 -0.036 0.000 0.786 152 L N -0.033 121.169 121.223 -0.036 0.000 1.994 152 L HA -0.161 4.174 4.340 -0.008 0.000 0.208 152 L C 2.736 179.653 176.870 0.079 0.000 1.071 152 L CA 1.714 56.504 54.840 -0.082 0.000 0.745 152 L CB -1.028 40.985 42.059 -0.076 0.000 0.892 152 L HN -0.006 nan 8.230 nan 0.000 0.431 153 E N -0.932 119.380 120.200 0.187 0.000 2.118 153 E HA -0.300 4.045 4.350 -0.008 0.000 0.195 153 E C 1.999 178.660 176.600 0.101 0.000 0.992 153 E CA 1.506 57.994 56.400 0.146 0.000 0.804 153 E CB -0.215 29.522 29.700 0.062 0.000 0.741 153 E HN 0.528 nan 8.360 nan 0.000 0.458 154 H N 0.899 119.974 119.070 0.009 0.000 2.357 154 H HA -0.036 4.515 4.556 -0.008 0.000 0.301 154 H C 2.008 177.337 175.328 0.000 0.000 1.082 154 H CA 1.334 57.383 56.048 0.002 0.000 1.342 154 H CB -0.169 29.592 29.762 -0.003 0.000 1.389 154 H HN 0.030 nan 8.280 nan 0.000 0.511 155 L N -0.376 120.812 121.223 -0.057 0.000 2.079 155 L HA -0.168 4.167 4.340 -0.008 0.000 0.210 155 L C 2.647 179.463 176.870 -0.091 0.000 1.081 155 L CA 1.259 56.033 54.840 -0.110 0.000 0.752 155 L CB -0.515 41.484 42.059 -0.100 0.000 0.896 155 L HN 0.313 nan 8.230 nan 0.000 0.433 156 V N -0.185 119.705 119.914 -0.039 0.000 2.323 156 V HA -0.226 3.889 4.120 -0.008 0.000 0.244 156 V C 2.264 178.340 176.094 -0.030 0.000 1.041 156 V CA 1.733 64.030 62.300 -0.004 0.000 1.025 156 V CB -0.082 31.777 31.823 0.060 0.000 0.656 156 V HN 0.467 nan 8.190 nan 0.000 0.451 157 E N -0.160 120.012 120.200 -0.047 0.000 2.114 157 E HA -0.241 4.105 4.350 -0.008 0.000 0.199 157 E C 1.917 178.458 176.600 -0.100 0.000 1.008 157 E CA 1.696 58.059 56.400 -0.061 0.000 0.810 157 E CB -0.127 29.544 29.700 -0.048 0.000 0.739 157 E HN 0.614 nan 8.360 nan 0.000 0.456 158 E N 0.166 120.256 120.200 -0.183 0.000 2.489 158 E HA -0.043 4.302 4.350 -0.008 0.000 0.193 158 E C -0.036 176.519 176.600 -0.076 0.000 1.057 158 E CA 0.131 56.434 56.400 -0.161 0.000 0.866 158 E CB 0.238 29.770 29.700 -0.279 0.000 0.916 158 E HN 0.296 nan 8.360 nan 0.000 0.500 159 Q N -0.566 119.203 119.800 -0.051 0.000 2.481 159 Q HA -0.187 4.149 4.340 -0.008 0.000 0.272 159 Q C 0.928 176.928 176.000 -0.000 0.000 1.157 159 Q CA 0.477 56.270 55.803 -0.017 0.000 0.935 159 Q CB -2.107 26.627 28.738 -0.007 0.000 1.338 159 Q HN 0.145 nan 8.270 nan 0.000 0.494 160 V N -1.461 118.449 119.914 -0.007 0.000 2.685 160 V HA 0.186 4.301 4.120 -0.008 0.000 0.244 160 V C 0.868 176.971 176.094 0.014 0.000 1.054 160 V CA 1.627 63.947 62.300 0.033 0.000 1.076 160 V CB 0.658 32.507 31.823 0.043 0.000 0.725 160 V HN 0.499 nan 8.190 nan 0.000 0.467 161 A N -0.665 122.158 122.820 0.005 0.000 2.479 161 A HA 0.896 5.212 4.320 -0.008 0.000 0.296 161 A C -0.663 176.952 177.584 0.052 0.000 1.121 161 A CA -0.037 52.021 52.037 0.036 0.000 0.743 161 A CB 1.584 20.661 19.000 0.129 0.000 1.323 161 A HN 0.396 nan 8.150 nan 0.000 0.415 162 A N 0.139 123.017 122.820 0.097 0.000 2.324 162 A HA 0.730 5.046 4.320 -0.008 0.000 0.330 162 A C -0.827 176.868 177.584 0.184 0.000 1.165 162 A CA -0.467 51.661 52.037 0.151 0.000 0.813 162 A CB 0.892 19.991 19.000 0.165 0.000 1.197 162 A HN 1.461 nan 8.150 nan 0.000 0.484 163 V N 1.413 121.387 119.914 0.099 0.000 2.686 163 V HA 0.493 4.608 4.120 -0.008 0.000 0.306 163 V C -0.276 175.751 176.094 -0.111 0.000 1.065 163 V CA -0.522 61.691 62.300 -0.144 0.000 0.894 163 V CB 2.027 33.629 31.823 -0.368 0.000 1.004 163 V HN 0.890 nan 8.190 nan 0.000 0.424 164 T N 4.904 119.355 114.554 -0.170 0.000 2.756 164 T HA 0.581 4.926 4.350 -0.008 0.000 0.290 164 T C -0.554 174.002 174.700 -0.239 0.000 0.985 164 T CA -0.013 62.064 62.100 -0.038 0.000 0.955 164 T CB 0.224 69.178 68.868 0.142 0.000 0.930 164 T HN 0.329 nan 8.240 nan 0.000 0.451 165 F N 2.678 122.644 119.950 0.027 0.000 2.375 165 F HA 0.332 4.855 4.527 -0.007 0.000 0.362 165 F C 0.530 176.331 175.800 0.001 0.000 1.129 165 F CA -0.902 57.101 58.000 0.004 0.000 1.154 165 F CB 0.465 39.460 39.000 -0.008 0.000 1.205 165 F HN 0.207 nan 8.300 nan 0.000 0.513 166 V N 6.560 126.538 119.914 0.106 0.000 2.455 166 V HA 0.168 4.283 4.120 -0.008 0.000 0.273 166 V C -1.630 174.488 176.094 0.040 0.000 1.045 166 V CA -1.568 60.768 62.300 0.060 0.000 0.976 166 V CB 0.506 32.346 31.823 0.027 0.000 0.993 166 V HN 0.488 nan 8.190 nan 0.000 0.475 167 P HA 0.188 nan 4.420 nan 0.000 0.273 167 P C -0.491 176.778 177.300 -0.052 0.000 1.250 167 P CA -0.071 63.019 63.100 -0.016 0.000 0.793 167 P CB 0.985 32.681 31.700 -0.006 0.000 1.011 168 V N -2.048 117.798 119.914 -0.113 0.000 2.567 168 V HA 0.381 4.496 4.120 -0.008 0.000 0.289 168 V C 0.540 176.587 176.094 -0.078 0.000 1.049 168 V CA -0.750 61.467 62.300 -0.139 0.000 0.969 168 V CB 0.785 32.431 31.823 -0.294 0.000 0.995 168 V HN 0.615 nan 8.190 nan 0.000 0.471 169 S N 2.109 117.774 115.700 -0.059 0.000 2.537 169 S HA 0.111 4.576 4.470 -0.008 0.000 0.286 169 S C 1.069 175.689 174.600 0.033 0.000 1.299 169 S CA 0.120 58.313 58.200 -0.012 0.000 1.067 169 S CB 0.513 63.705 63.200 -0.013 0.000 0.864 169 S HN 1.040 nan 8.310 nan 0.000 0.494 170 K N 4.348 124.812 120.400 0.106 0.000 2.283 170 K HA -0.020 4.296 4.320 -0.008 0.000 0.202 170 K C 1.582 178.366 176.600 0.307 0.000 1.048 170 K CA 1.622 58.044 56.287 0.224 0.000 0.948 170 K CB -0.477 32.122 32.500 0.166 0.000 0.742 170 K HN 0.469 nan 8.250 nan 0.000 0.458 171 V N -0.059 119.972 119.914 0.194 0.000 2.379 171 V HA -0.096 4.019 4.120 -0.008 0.000 0.243 171 V C 1.672 177.914 176.094 0.247 0.000 1.035 171 V CA 2.195 64.621 62.300 0.211 0.000 1.035 171 V CB -0.102 31.792 31.823 0.119 0.000 0.673 171 V HN 0.598 nan 8.190 nan 0.000 0.457 172 S N -0.795 114.938 115.700 0.056 0.000 2.503 172 S HA 0.288 4.753 4.470 -0.008 0.000 0.215 172 S C 1.694 175.977 174.600 -0.528 0.000 1.003 172 S CA 0.739 58.896 58.200 -0.071 0.000 0.910 172 S CB 0.532 63.701 63.200 -0.051 0.000 0.790 172 S HN 1.648 nan 8.310 nan 0.000 0.514 173 G N 0.933 109.242 108.800 -0.819 0.000 2.168 173 G HA2 -0.256 3.699 3.960 -0.008 0.000 0.257 173 G HA3 -0.256 3.699 3.960 -0.008 0.000 0.257 173 G C -0.219 174.493 174.900 -0.313 0.000 0.997 173 G CA 0.477 44.986 45.100 -0.984 0.000 0.708 173 G HN 0.621 nan 8.290 nan 0.000 0.520 174 Q N -0.187 119.490 119.800 -0.204 0.000 2.399 174 Q HA 0.581 4.916 4.340 -0.008 0.000 0.276 174 Q C 0.359 176.311 176.000 -0.080 0.000 1.098 174 Q CA -0.296 55.445 55.803 -0.103 0.000 0.827 174 Q CB 1.510 30.205 28.738 -0.071 0.000 1.386 174 Q HN 0.417 nan 8.270 nan 0.000 0.443 175 T N -1.201 113.319 114.554 -0.056 0.000 2.829 175 T HA 0.064 4.409 4.350 -0.008 0.000 0.293 175 T C 0.168 174.855 174.700 -0.022 0.000 0.970 175 T CA -0.400 61.679 62.100 -0.035 0.000 1.168 175 T CB 0.457 69.314 68.868 -0.018 0.000 0.911 175 T HN 0.432 nan 8.240 nan 0.000 0.535 176 E N 1.811 122.001 120.200 -0.016 0.000 2.376 176 E HA 0.059 4.404 4.350 -0.008 0.000 0.266 176 E C 1.405 178.005 176.600 -0.001 0.000 1.009 176 E CA -0.249 56.147 56.400 -0.007 0.000 0.902 176 E CB 1.127 30.826 29.700 -0.001 0.000 0.972 176 E HN 0.702 nan 8.360 nan 0.000 0.439 177 V N 2.947 122.861 119.914 0.001 0.000 2.515 177 V HA -0.192 3.923 4.120 -0.008 0.000 0.250 177 V C 1.196 177.294 176.094 0.007 0.000 1.058 177 V CA 1.797 64.099 62.300 0.004 0.000 1.064 177 V CB -0.107 31.718 31.823 0.003 0.000 0.675 177 V HN 0.596 nan 8.190 nan 0.000 0.461 178 D N 0.962 121.366 120.400 0.007 0.000 2.158 178 D HA -0.174 4.461 4.640 -0.008 0.000 0.197 178 D C 1.843 178.149 176.300 0.011 0.000 0.995 178 D CA 1.936 55.941 54.000 0.008 0.000 0.846 178 D CB -0.332 40.473 40.800 0.008 0.000 0.941 178 D HN 0.571 nan 8.370 nan 0.000 0.456 179 D N -0.188 120.219 120.400 0.011 0.000 2.149 179 D HA -0.034 4.601 4.640 -0.008 0.000 0.201 179 D C 2.279 178.591 176.300 0.020 0.000 0.972 179 D CA 0.267 54.276 54.000 0.015 0.000 0.835 179 D CB -0.185 40.623 40.800 0.013 0.000 0.966 179 D HN 0.268 nan 8.370 nan 0.000 0.476 180 I N 0.470 121.050 120.570 0.017 0.000 2.179 180 I HA -0.222 3.943 4.170 -0.008 0.000 0.242 180 I C 2.107 178.240 176.117 0.026 0.000 1.088 180 I CA 0.630 61.942 61.300 0.020 0.000 1.357 180 I CB -0.075 37.933 38.000 0.014 0.000 1.051 180 I HN 0.048 nan 8.210 nan 0.000 0.409 181 L N 0.543 121.778 121.223 0.020 0.000 2.093 181 L HA -0.137 4.198 4.340 -0.008 0.000 0.208 181 L C 2.841 179.724 176.870 0.021 0.000 1.085 181 L CA 1.905 56.757 54.840 0.019 0.000 0.755 181 L CB -1.644 40.422 42.059 0.013 0.000 0.904 181 L HN 0.239 nan 8.230 nan 0.000 0.435 182 A N -0.057 122.774 122.820 0.019 0.000 1.972 182 A HA -0.081 4.235 4.320 -0.008 0.000 0.219 182 A C 2.363 179.959 177.584 0.020 0.000 1.169 182 A CA 1.478 53.525 52.037 0.016 0.000 0.635 182 A CB -0.418 18.591 19.000 0.014 0.000 0.810 182 A HN 0.378 nan 8.150 nan 0.000 0.446 183 A N -0.586 122.257 122.820 0.038 0.000 2.206 183 A HA 0.368 4.683 4.320 -0.008 0.000 0.211 183 A C 0.883 178.520 177.584 0.089 0.000 1.158 183 A CA 0.237 52.313 52.037 0.065 0.000 0.761 183 A CB -0.544 18.517 19.000 0.101 0.000 0.801 183 A HN 0.245 nan 8.150 nan 0.000 0.473 184 V N 2.519 122.470 119.914 0.062 0.000 2.655 184 V HA 0.177 4.293 4.120 -0.008 0.000 0.300 184 V C 0.585 176.676 176.094 -0.005 0.000 1.044 184 V CA 0.146 62.481 62.300 0.058 0.000 1.095 184 V CB 0.124 31.970 31.823 0.037 0.000 0.952 184 V HN 0.688 nan 8.190 nan 0.000 0.485 185 R N 4.590 125.076 120.500 -0.022 0.000 2.905 185 R HA 0.507 4.842 4.340 -0.008 0.000 0.260 185 R C -2.431 173.856 176.300 -0.022 0.000 1.086 185 R CA -2.010 54.047 56.100 -0.072 0.000 0.978 185 R CB 0.342 30.522 30.300 -0.200 0.000 1.215 185 R HN 0.270 nan 8.270 nan 0.000 0.480 186 P HA -0.120 nan 4.420 nan 0.000 0.220 186 P C 1.033 178.354 177.300 0.034 0.000 1.148 186 P CA 1.511 64.615 63.100 0.006 0.000 0.803 186 P CB -0.037 31.666 31.700 0.005 0.000 0.782 187 T N -5.551 109.022 114.554 0.032 0.000 3.129 187 T HA 0.063 4.409 4.350 -0.008 0.000 0.251 187 T C 0.640 175.357 174.700 0.028 0.000 1.117 187 T CA -0.029 62.117 62.100 0.076 0.000 1.034 187 T CB -1.320 67.569 68.868 0.035 0.000 0.968 187 T HN -0.035 nan 8.240 nan 0.000 0.526 188 T N 3.015 117.604 114.554 0.058 0.000 2.902 188 T HA 0.251 4.597 4.350 -0.008 0.000 0.301 188 T C 0.891 175.546 174.700 -0.074 0.000 1.012 188 T CA -0.454 61.671 62.100 0.042 0.000 1.151 188 T CB 0.894 69.846 68.868 0.139 0.000 0.946 188 T HN 0.191 nan 8.240 nan 0.000 0.542 189 R N 0.911 121.275 120.500 -0.226 0.000 2.576 189 R HA 0.317 4.653 4.340 -0.008 0.000 0.237 189 R C -0.594 175.590 176.300 -0.193 0.000 0.917 189 R CA -0.172 55.807 56.100 -0.201 0.000 1.002 189 R CB 0.257 30.397 30.300 -0.266 0.000 1.428 189 R HN 0.483 nan 8.270 nan 0.000 0.603 190 L N 0.684 121.730 121.223 -0.295 0.000 2.526 190 L HA 0.441 4.776 4.340 -0.008 0.000 0.263 190 L C -1.464 175.382 176.870 -0.040 0.000 0.943 190 L CA -0.695 54.084 54.840 -0.102 0.000 0.859 190 L CB 2.416 44.450 42.059 -0.040 0.000 1.313 190 L HN -0.267 nan 8.230 nan 0.000 0.406 191 V N 3.199 123.139 119.914 0.044 0.000 2.370 191 V HA 0.584 4.699 4.120 -0.008 0.000 0.279 191 V C 0.063 176.235 176.094 0.130 0.000 1.029 191 V CA -0.285 62.048 62.300 0.055 0.000 0.870 191 V CB 1.406 33.253 31.823 0.039 0.000 0.984 191 V HN 0.820 nan 8.190 nan 0.000 0.451 192 T N 6.789 121.422 114.554 0.132 0.000 2.847 192 T HA 0.658 5.003 4.350 -0.008 0.000 0.291 192 T C -1.054 173.714 174.700 0.114 0.000 0.998 192 T CA -0.405 61.815 62.100 0.201 0.000 0.967 192 T CB 0.221 69.283 68.868 0.323 0.000 0.954 192 T HN 0.338 nan 8.240 nan 0.000 0.441 193 I N 6.575 127.186 120.570 0.067 0.000 2.512 193 I HA 0.327 4.492 4.170 -0.008 0.000 0.287 193 I C 0.503 176.627 176.117 0.011 0.000 1.069 193 I CA -1.041 60.283 61.300 0.039 0.000 1.056 193 I CB 1.910 39.924 38.000 0.024 0.000 1.229 193 I HN 0.836 nan 8.210 nan 0.000 0.429 194 M N 4.414 124.035 119.600 0.035 0.000 2.249 194 M HA 0.132 4.607 4.480 -0.008 0.000 0.340 194 M C 0.468 176.775 176.300 0.011 0.000 1.166 194 M CA 0.097 55.412 55.300 0.025 0.000 1.115 194 M CB 1.006 33.648 32.600 0.070 0.000 1.606 194 M HN 0.462 nan 8.290 nan 0.000 0.448 195 L N 3.400 124.620 121.223 -0.006 0.000 2.027 195 L HA 0.248 4.583 4.340 -0.008 0.000 0.206 195 L C 0.669 177.551 176.870 0.020 0.000 1.074 195 L CA 2.053 56.891 54.840 -0.003 0.000 0.745 195 L CB -0.531 41.518 42.059 -0.016 0.000 0.898 195 L HN 0.961 nan 8.230 nan 0.000 0.433 196 A N -0.662 122.179 122.820 0.036 0.000 2.449 196 A HA 0.394 4.709 4.320 -0.008 0.000 0.302 196 A C -0.646 176.985 177.584 0.079 0.000 1.048 196 A CA -0.671 51.399 52.037 0.055 0.000 0.708 196 A CB 0.606 19.635 19.000 0.048 0.000 1.274 196 A HN 0.231 nan 8.150 nan 0.000 0.410 197 N N 1.457 120.221 118.700 0.108 0.000 2.514 197 N HA -0.016 4.720 4.740 -0.008 0.000 0.277 197 N C 0.441 176.023 175.510 0.119 0.000 1.126 197 N CA -0.207 52.929 53.050 0.145 0.000 0.978 197 N CB 0.794 39.419 38.487 0.229 0.000 1.106 197 N HN 0.751 nan 8.380 nan 0.000 0.461 198 N N 3.147 121.924 118.700 0.129 0.000 2.331 198 N HA -0.205 4.530 4.740 -0.008 0.000 0.180 198 N C 1.120 176.684 175.510 0.089 0.000 1.019 198 N CA 1.107 54.220 53.050 0.105 0.000 0.881 198 N CB -0.122 38.442 38.487 0.127 0.000 0.972 198 N HN 0.723 nan 8.380 nan 0.000 0.435 199 E N 0.871 121.133 120.200 0.103 0.000 2.140 199 E HA -0.040 4.305 4.350 -0.008 0.000 0.191 199 E C 1.523 178.134 176.600 0.019 0.000 0.973 199 E CA 1.406 57.849 56.400 0.072 0.000 0.829 199 E CB 0.015 29.779 29.700 0.107 0.000 0.781 199 E HN 0.448 nan 8.360 nan 0.000 0.466 200 T N -4.038 110.513 114.554 -0.005 0.000 3.015 200 T HA 0.311 4.657 4.350 -0.008 0.000 0.250 200 T C 1.627 176.324 174.700 -0.006 0.000 1.057 200 T CA 0.414 62.467 62.100 -0.079 0.000 1.066 200 T CB 0.524 69.205 68.868 -0.313 0.000 0.959 200 T HN 0.351 nan 8.240 nan 0.000 0.488 201 G N 1.791 110.612 108.800 0.035 0.000 2.184 201 G HA2 -0.199 3.756 3.960 -0.008 0.000 0.264 201 G HA3 -0.199 3.756 3.960 -0.008 0.000 0.264 201 G C 0.107 175.041 174.900 0.056 0.000 0.975 201 G CA 0.051 45.181 45.100 0.051 0.000 0.642 201 G HN 0.585 nan 8.290 nan 0.000 0.536 202 I N 1.331 121.937 120.570 0.060 0.000 2.618 202 I HA 0.168 4.333 4.170 -0.008 0.000 0.284 202 I C 1.153 177.310 176.117 0.066 0.000 1.146 202 I CA -0.066 61.273 61.300 0.065 0.000 1.425 202 I CB 1.034 39.074 38.000 0.066 0.000 1.383 202 I HN -0.111 nan 8.210 nan 0.000 0.562 203 V N 7.487 127.428 119.914 0.046 0.000 2.461 203 V HA 0.192 4.307 4.120 -0.008 0.000 0.275 203 V C 0.700 176.808 176.094 0.023 0.000 1.047 203 V CA -0.594 61.726 62.300 0.034 0.000 0.955 203 V CB 1.255 33.094 31.823 0.026 0.000 0.988 203 V HN 0.561 nan 8.190 nan 0.000 0.471 204 M N 7.390 127.003 119.600 0.021 0.000 2.250 204 M HA 0.321 4.796 4.480 -0.008 0.000 0.344 204 M C -1.943 174.359 176.300 0.003 0.000 1.150 204 M CA -2.709 52.597 55.300 0.010 0.000 1.147 204 M CB 0.795 33.404 32.600 0.014 0.000 1.498 204 M HN 0.332 nan 8.290 nan 0.000 0.461 205 P HA 0.101 nan 4.420 nan 0.000 0.225 205 P C 0.830 178.128 177.300 -0.002 0.000 1.768 205 P CA 0.030 63.129 63.100 -0.002 0.000 0.943 205 P CB -0.318 31.380 31.700 -0.003 0.000 1.936 206 V N 1.852 121.764 119.914 -0.004 0.000 2.295 206 V HA -0.153 3.962 4.120 -0.008 0.000 0.246 206 V C -0.297 175.793 176.094 -0.005 0.000 1.049 206 V CA 2.203 64.501 62.300 -0.005 0.000 1.024 206 V CB -2.190 29.626 31.823 -0.012 0.000 0.648 206 V HN 0.309 nan 8.190 nan 0.000 0.447 207 P HA -0.184 nan 4.420 nan 0.000 0.216 207 P C 1.669 178.965 177.300 -0.007 0.000 1.150 207 P CA 1.522 64.615 63.100 -0.011 0.000 0.837 207 P CB 0.052 31.743 31.700 -0.014 0.000 0.786 208 E N -0.597 119.600 120.200 -0.004 0.000 2.107 208 E HA -0.118 4.227 4.350 -0.008 0.000 0.191 208 E C 1.917 178.518 176.600 0.000 0.000 0.982 208 E CA 0.669 57.067 56.400 -0.002 0.000 0.809 208 E CB -0.384 29.316 29.700 -0.001 0.000 0.756 208 E HN 0.147 nan 8.360 nan 0.000 0.459 209 I N 0.612 121.183 120.570 0.003 0.000 2.202 209 I HA -0.259 3.906 4.170 -0.008 0.000 0.242 209 I C 2.470 178.593 176.117 0.009 0.000 1.091 209 I CA 0.973 62.278 61.300 0.007 0.000 1.368 209 I CB -0.151 37.855 38.000 0.011 0.000 1.058 209 I HN 0.040 nan 8.210 nan 0.000 0.410 210 S N -0.009 115.696 115.700 0.008 0.000 2.370 210 S HA -0.302 4.163 4.470 -0.008 0.000 0.226 210 S C 1.911 176.512 174.600 0.001 0.000 1.033 210 S CA 1.526 59.730 58.200 0.008 0.000 1.011 210 S CB -0.350 62.854 63.200 0.006 0.000 0.852 210 S HN 0.387 nan 8.310 nan 0.000 0.457 211 Q N 1.222 121.021 119.800 -0.002 0.000 2.046 211 Q HA 0.019 4.354 4.340 -0.008 0.000 0.200 211 Q C 2.252 178.251 176.000 -0.003 0.000 0.975 211 Q CA 1.278 57.078 55.803 -0.005 0.000 0.836 211 Q CB -0.072 28.662 28.738 -0.007 0.000 0.896 211 Q HN 0.268 nan 8.270 nan 0.000 0.428 212 R N -0.117 120.383 120.500 0.000 0.000 2.096 212 R HA -0.086 4.249 4.340 -0.008 0.000 0.235 212 R C 2.042 178.345 176.300 0.004 0.000 1.127 212 R CA 0.986 57.088 56.100 0.002 0.000 0.968 212 R CB -0.520 29.783 30.300 0.004 0.000 0.861 212 R HN 0.354 nan 8.270 nan 0.000 0.440 213 I N 1.149 121.723 120.570 0.006 0.000 2.315 213 I HA -0.220 3.945 4.170 -0.008 0.000 0.248 213 I C 2.396 178.516 176.117 0.004 0.000 1.117 213 I CA 1.174 62.479 61.300 0.009 0.000 1.404 213 I CB -0.726 37.283 38.000 0.016 0.000 1.071 213 I HN 0.149 nan 8.210 nan 0.000 0.419 214 K N 1.251 121.651 120.400 -0.001 0.000 2.057 214 K HA -0.104 4.211 4.320 -0.008 0.000 0.206 214 K C 2.196 178.792 176.600 -0.006 0.000 1.050 214 K CA 1.412 57.695 56.287 -0.007 0.000 0.935 214 K CB 0.014 32.506 32.500 -0.013 0.000 0.715 214 K HN 0.199 nan 8.250 nan 0.000 0.439 215 A N 1.484 124.301 122.820 -0.005 0.000 1.930 215 A HA -0.123 4.193 4.320 -0.008 0.000 0.217 215 A C 2.101 179.684 177.584 -0.001 0.000 1.175 215 A CA 1.141 53.175 52.037 -0.004 0.000 0.627 215 A CB -0.617 18.381 19.000 -0.003 0.000 0.815 215 A HN 0.439 nan 8.150 nan 0.000 0.443 216 L N -0.364 120.860 121.223 0.001 0.000 2.093 216 L HA -0.170 4.166 4.340 -0.008 0.000 0.208 216 L C 1.847 178.719 176.870 0.003 0.000 1.085 216 L CA 1.654 56.496 54.840 0.003 0.000 0.755 216 L CB -0.535 41.528 42.059 0.006 0.000 0.904 216 L HN 0.350 nan 8.230 nan 0.000 0.435 217 N N 0.164 118.865 118.700 0.003 0.000 2.289 217 N HA -0.205 4.530 4.740 -0.008 0.000 0.184 217 N C 1.758 177.270 175.510 0.002 0.000 1.016 217 N CA 1.048 54.100 53.050 0.003 0.000 0.872 217 N CB -0.118 38.371 38.487 0.004 0.000 0.973 217 N HN 0.518 nan 8.380 nan 0.000 0.433 218 Q N 0.601 120.401 119.800 -0.001 0.000 2.050 218 Q HA -0.104 4.231 4.340 -0.008 0.000 0.202 218 Q C 1.660 177.660 176.000 -0.000 0.000 0.980 218 Q CA 1.128 56.931 55.803 -0.001 0.000 0.840 218 Q CB -0.134 28.602 28.738 -0.004 0.000 0.898 218 Q HN 0.491 nan 8.270 nan 0.000 0.424 219 E N 0.433 120.633 120.200 0.000 0.000 2.110 219 E HA -0.174 4.172 4.350 -0.008 0.000 0.193 219 E C 2.062 178.663 176.600 0.001 0.000 0.988 219 E CA 0.763 57.163 56.400 0.000 0.000 0.804 219 E CB 0.016 29.716 29.700 0.000 0.000 0.745 219 E HN 0.229 nan 8.360 nan 0.000 0.458 220 R N 0.209 120.710 120.500 0.002 0.000 2.075 220 R HA -0.073 4.262 4.340 -0.008 0.000 0.232 220 R C 2.424 178.725 176.300 0.002 0.000 1.126 220 R CA 0.986 57.087 56.100 0.002 0.000 0.963 220 R CB -0.283 30.019 30.300 0.004 0.000 0.858 220 R HN 0.064 nan 8.270 nan 0.000 0.435 221 V N 1.146 121.062 119.914 0.003 0.000 2.358 221 V HA -0.215 3.901 4.120 -0.008 0.000 0.246 221 V C 2.445 178.541 176.094 0.003 0.000 1.047 221 V CA 1.880 64.183 62.300 0.004 0.000 1.035 221 V CB -0.628 31.200 31.823 0.007 0.000 0.658 221 V HN 0.390 nan 8.190 nan 0.000 0.452 222 A N -0.060 122.761 122.820 0.002 0.000 1.978 222 A HA -0.126 4.189 4.320 -0.008 0.000 0.220 222 A C 2.239 179.823 177.584 0.000 0.000 1.170 222 A CA 2.065 54.102 52.037 0.001 0.000 0.636 222 A CB -0.552 18.448 19.000 0.001 0.000 0.810 222 A HN 0.606 nan 8.150 nan 0.000 0.448 223 A N -2.258 120.562 122.820 -0.001 0.000 2.218 223 A HA 0.421 4.736 4.320 -0.008 0.000 0.209 223 A C 1.789 179.371 177.584 -0.003 0.000 1.168 223 A CA 1.184 53.220 52.037 -0.002 0.000 0.804 223 A CB -0.723 18.276 19.000 -0.002 0.000 0.834 223 A HN 1.895 nan 8.150 nan 0.000 0.482 224 G N -1.799 106.999 108.800 -0.003 0.000 2.141 224 G HA2 -0.154 3.801 3.960 -0.008 0.000 0.242 224 G HA3 -0.154 3.801 3.960 -0.008 0.000 0.242 224 G C -0.203 174.691 174.900 -0.009 0.000 0.982 224 G CA 0.178 45.275 45.100 -0.006 0.000 0.662 224 G HN 0.309 nan 8.290 nan 0.000 0.527 225 L N 1.167 122.386 121.223 -0.006 0.000 2.334 225 L HA 0.565 4.900 4.340 -0.008 0.000 0.277 225 L C -1.697 175.168 176.870 -0.007 0.000 1.075 225 L CA -2.411 52.425 54.840 -0.007 0.000 0.804 225 L CB 0.770 42.828 42.059 -0.001 0.000 1.174 225 L HN -0.128 nan 8.230 nan 0.000 0.438 226 P HA 0.144 nan 4.420 nan 0.000 0.268 226 P C -2.459 174.841 177.300 0.001 0.000 1.205 226 P CA -0.827 62.264 63.100 -0.015 0.000 0.771 226 P CB -0.069 31.603 31.700 -0.046 0.000 0.858 227 P HA 0.119 nan 4.420 nan 0.000 0.269 227 P C -0.297 177.015 177.300 0.020 0.000 1.209 227 P CA 0.311 63.422 63.100 0.018 0.000 0.776 227 P CB 0.318 32.035 31.700 0.027 0.000 0.876 228 I N 2.542 123.123 120.570 0.017 0.000 2.395 228 I HA 0.177 4.343 4.170 -0.008 0.000 0.289 228 I C 0.436 176.576 176.117 0.039 0.000 1.023 228 I CA -0.331 60.979 61.300 0.017 0.000 1.350 228 I CB 0.324 38.330 38.000 0.010 0.000 1.409 228 I HN 0.079 nan 8.210 nan 0.000 0.507 229 L N 6.456 127.721 121.223 0.070 0.000 2.375 229 L HA 0.610 4.946 4.340 -0.008 0.000 0.268 229 L C -0.616 176.349 176.870 0.158 0.000 1.058 229 L CA -0.944 53.970 54.840 0.123 0.000 0.803 229 L CB 1.662 43.866 42.059 0.242 0.000 1.212 229 L HN 0.256 nan 8.230 nan 0.000 0.451 230 V N 0.696 120.720 119.914 0.183 0.000 2.483 230 V HA 0.315 4.431 4.120 -0.008 0.000 0.297 230 V C -0.515 175.773 176.094 0.323 0.000 1.027 230 V CA -0.647 61.769 62.300 0.194 0.000 0.855 230 V CB 1.483 33.368 31.823 0.103 0.000 0.995 230 V HN 0.678 nan 8.190 nan 0.000 0.424 231 H N 2.886 122.110 119.070 0.257 0.000 2.457 231 H HA 0.581 5.133 4.556 -0.006 0.000 0.335 231 H C -1.114 174.312 175.328 0.162 0.000 1.115 231 H CA -0.170 56.042 56.048 0.274 0.000 1.219 231 H CB 2.167 32.044 29.762 0.191 0.000 1.471 231 H HN 0.647 nan 8.280 nan 0.000 0.491 232 T N 3.393 117.641 114.554 -0.511 0.000 2.841 232 T HA 0.060 4.405 4.350 -0.008 0.000 0.283 232 T C -0.853 173.443 174.700 -0.675 0.000 1.000 232 T CA -0.855 60.952 62.100 -0.488 0.000 0.977 232 T CB 0.947 69.718 68.868 -0.161 0.000 0.979 232 T HN 0.664 nan 8.240 nan 0.000 0.446 233 D N 3.793 123.956 120.400 -0.394 0.000 2.393 233 D HA 0.389 5.024 4.640 -0.008 0.000 0.232 233 D C 0.648 176.924 176.300 -0.040 0.000 1.192 233 D CA -0.496 53.452 54.000 -0.087 0.000 0.882 233 D CB 0.817 41.667 40.800 0.083 0.000 1.038 233 D HN 0.592 nan 8.370 nan 0.000 0.499 234 A N 3.549 126.357 122.820 -0.020 0.000 2.370 234 A HA 0.393 4.709 4.320 -0.008 0.000 0.238 234 A C 1.948 179.550 177.584 0.029 0.000 1.289 234 A CA 0.539 52.574 52.037 -0.004 0.000 0.885 234 A CB -0.183 18.807 19.000 -0.016 0.000 0.961 234 A HN 0.600 nan 8.150 nan 0.000 0.499 235 A N -0.277 122.562 122.820 0.033 0.000 1.927 235 A HA -0.240 4.075 4.320 -0.008 0.000 0.220 235 A C 2.013 179.622 177.584 0.042 0.000 1.185 235 A CA 1.787 53.844 52.037 0.033 0.000 0.639 235 A CB -0.308 18.666 19.000 -0.043 0.000 0.820 235 A HN 0.480 nan 8.150 nan 0.000 0.451 236 Q N -1.494 118.325 119.800 0.031 0.000 2.424 236 Q HA 0.209 4.544 4.340 -0.008 0.000 0.204 236 Q C 2.067 178.100 176.000 0.055 0.000 0.933 236 Q CA 0.958 56.788 55.803 0.044 0.000 0.929 236 Q CB -0.084 28.681 28.738 0.046 0.000 1.037 236 Q HN 0.691 nan 8.270 nan 0.000 0.511 237 A N 0.139 122.984 122.820 0.042 0.000 2.044 237 A HA 0.136 4.451 4.320 -0.008 0.000 0.213 237 A C 1.064 178.658 177.584 0.016 0.000 1.169 237 A CA -0.067 51.986 52.037 0.028 0.000 0.724 237 A CB -0.016 18.988 19.000 0.007 0.000 0.840 237 A HN 0.225 nan 8.150 nan 0.000 0.463 238 L N -0.075 121.152 121.223 0.007 0.000 2.455 238 L HA 0.374 4.710 4.340 -0.008 0.000 0.272 238 L C 1.554 178.401 176.870 -0.038 0.000 1.174 238 L CA 0.893 55.669 54.840 -0.106 0.000 0.869 238 L CB 0.464 42.367 42.059 -0.259 0.000 1.130 238 L HN 0.577 nan 8.230 nan 0.000 0.474 239 G N 2.431 111.197 108.800 -0.057 0.000 2.199 239 G HA2 -0.298 3.657 3.960 -0.008 0.000 0.254 239 G HA3 -0.298 3.657 3.960 -0.008 0.000 0.254 239 G C 0.934 175.925 174.900 0.151 0.000 0.982 239 G CA 0.535 45.691 45.100 0.093 0.000 0.632 239 G HN 0.684 nan 8.290 nan 0.000 0.529 240 K N -0.248 120.211 120.400 0.098 0.000 2.435 240 K HA 0.245 4.561 4.320 -0.008 0.000 0.199 240 K C 0.959 177.602 176.600 0.073 0.000 1.153 240 K CA 0.903 57.249 56.287 0.099 0.000 0.974 240 K CB 0.577 33.126 32.500 0.082 0.000 0.997 240 K HN 0.702 nan 8.250 nan 0.000 0.547 241 Q N 0.202 120.027 119.800 0.043 0.000 2.522 241 Q HA 0.301 4.636 4.340 -0.008 0.000 0.285 241 Q C -1.285 174.712 176.000 -0.006 0.000 0.982 241 Q CA -1.054 54.761 55.803 0.020 0.000 0.805 241 Q CB 1.479 30.227 28.738 0.016 0.000 1.457 241 Q HN -0.095 nan 8.270 nan 0.000 0.394 242 R N 1.061 121.550 120.500 -0.018 0.000 2.502 242 R HA 0.233 4.569 4.340 -0.008 0.000 0.292 242 R C -1.144 175.126 176.300 -0.051 0.000 0.998 242 R CA 0.181 56.257 56.100 -0.039 0.000 1.056 242 R CB 0.452 30.728 30.300 -0.039 0.000 0.939 242 R HN 0.477 nan 8.270 nan 0.000 0.411 243 V N 5.402 125.271 119.914 -0.074 0.000 2.350 243 V HA 0.192 4.307 4.120 -0.008 0.000 0.285 243 V C -0.363 175.665 176.094 -0.110 0.000 1.014 243 V CA -0.541 61.706 62.300 -0.089 0.000 0.831 243 V CB 1.464 33.225 31.823 -0.102 0.000 1.000 243 V HN 0.751 nan 8.190 nan 0.000 0.433 244 D N 3.403 123.739 120.400 -0.107 0.000 2.593 244 D HA 0.274 4.910 4.640 -0.008 0.000 0.251 244 D C 0.770 176.981 176.300 -0.148 0.000 1.140 244 D CA -0.379 53.547 54.000 -0.123 0.000 0.855 244 D CB 2.671 43.419 40.800 -0.088 0.000 1.267 244 D HN 0.362 nan 8.370 nan 0.000 0.532 245 V N 1.747 121.527 119.914 -0.223 0.000 2.809 245 V HA -0.029 4.086 4.120 -0.008 0.000 0.256 245 V C 1.520 177.525 176.094 -0.149 0.000 1.080 245 V CA 0.942 63.073 62.300 -0.281 0.000 1.102 245 V CB -0.211 31.219 31.823 -0.656 0.000 0.705 245 V HN 0.365 nan 8.190 nan 0.000 0.475 246 E N 0.835 120.967 120.200 -0.112 0.000 2.122 246 E HA -0.094 4.252 4.350 -0.008 0.000 0.190 246 E C 1.913 178.480 176.600 -0.055 0.000 0.977 246 E CA 1.316 57.676 56.400 -0.067 0.000 0.820 246 E CB -0.395 29.271 29.700 -0.056 0.000 0.770 246 E HN 0.631 nan 8.360 nan 0.000 0.462 247 D N 0.871 121.235 120.400 -0.060 0.000 2.144 247 D HA -0.089 4.546 4.640 -0.008 0.000 0.199 247 D C 2.140 178.414 176.300 -0.044 0.000 0.984 247 D CA 0.621 54.593 54.000 -0.047 0.000 0.834 247 D CB -0.165 40.606 40.800 -0.047 0.000 0.955 247 D HN 0.149 nan 8.370 nan 0.000 0.465 248 L N -0.444 120.746 121.223 -0.055 0.000 2.109 248 L HA 0.048 4.384 4.340 -0.008 0.000 0.207 248 L C 1.800 178.653 176.870 -0.027 0.000 1.086 248 L CA 0.909 55.722 54.840 -0.044 0.000 0.760 248 L CB -0.444 41.580 42.059 -0.059 0.000 0.910 248 L HN 0.187 nan 8.230 nan 0.000 0.437 249 G N 0.349 109.132 108.800 -0.028 0.000 2.148 249 G HA2 -0.259 3.696 3.960 -0.008 0.000 0.254 249 G HA3 -0.259 3.696 3.960 -0.008 0.000 0.254 249 G C 0.381 175.288 174.900 0.011 0.000 0.981 249 G CA 0.314 45.406 45.100 -0.012 0.000 0.670 249 G HN 0.297 nan 8.290 nan 0.000 0.528 250 V N -2.875 117.059 119.914 0.033 0.000 2.953 250 V HA 0.622 4.737 4.120 -0.008 0.000 0.304 250 V C 1.078 177.238 176.094 0.110 0.000 1.073 250 V CA 0.299 62.644 62.300 0.076 0.000 1.064 250 V CB 1.421 33.298 31.823 0.091 0.000 1.047 250 V HN 0.089 nan 8.190 nan 0.000 0.478 251 D N 0.844 121.265 120.400 0.036 0.000 2.240 251 D HA 0.174 4.810 4.640 -0.008 0.000 0.206 251 D C -0.051 175.987 176.300 -0.437 0.000 0.963 251 D CA 1.381 55.247 54.000 -0.223 0.000 0.863 251 D CB 0.338 40.923 40.800 -0.357 0.000 0.973 251 D HN 0.562 nan 8.370 nan 0.000 0.501 252 F N 0.124 120.188 119.950 0.190 0.000 2.588 252 F HA 0.541 5.063 4.527 -0.007 0.000 0.314 252 F C -0.438 175.565 175.800 0.338 0.000 1.069 252 F CA -1.087 57.065 58.000 0.252 0.000 0.931 252 F CB 2.462 41.639 39.000 0.295 0.000 1.260 252 F HN -0.340 nan 8.300 nan 0.000 0.465 253 L N 1.168 122.733 121.223 0.570 0.000 2.505 253 L HA 0.569 4.904 4.340 -0.008 0.000 0.266 253 L C -1.079 175.970 176.870 0.298 0.000 0.954 253 L CA -0.098 54.922 54.840 0.300 0.000 0.852 253 L CB 2.226 44.389 42.059 0.173 0.000 1.282 253 L HN 0.632 nan 8.230 nan 0.000 0.403 254 T N 5.642 120.343 114.554 0.245 0.000 2.806 254 T HA 0.577 4.922 4.350 -0.008 0.000 0.290 254 T C -0.193 174.601 174.700 0.156 0.000 0.966 254 T CA 0.023 62.258 62.100 0.225 0.000 1.060 254 T CB 0.627 69.651 68.868 0.260 0.000 0.927 254 T HN 0.326 nan 8.240 nan 0.000 0.485 255 I N 2.995 123.671 120.570 0.177 0.000 2.433 255 I HA 0.466 4.631 4.170 -0.008 0.000 0.292 255 I C -0.682 175.581 176.117 0.244 0.000 1.001 255 I CA -1.020 60.418 61.300 0.230 0.000 1.119 255 I CB 2.012 40.153 38.000 0.235 0.000 1.289 255 I HN 0.274 nan 8.210 nan 0.000 0.438 256 V N 5.409 125.500 119.914 0.295 0.000 2.385 256 V HA 0.238 4.353 4.120 -0.008 0.000 0.277 256 V C 1.096 177.145 176.094 -0.075 0.000 1.012 256 V CA -0.475 61.897 62.300 0.120 0.000 0.832 256 V CB 0.980 32.810 31.823 0.012 0.000 1.028 256 V HN 1.029 nan 8.190 nan 0.000 0.436 257 G N 2.988 111.647 108.800 -0.235 0.000 2.556 257 G HA2 -0.311 3.644 3.960 -0.008 0.000 0.220 257 G HA3 -0.311 3.644 3.960 -0.008 0.000 0.220 257 G C 1.082 175.596 174.900 -0.644 0.000 1.156 257 G CA 1.886 46.544 45.100 -0.735 0.000 0.766 257 G HN 1.097 nan 8.290 nan 0.000 0.583 258 H N -0.795 118.080 119.070 -0.325 0.000 2.556 258 H HA 0.332 4.884 4.556 -0.007 0.000 0.268 258 H C 1.839 177.065 175.328 -0.169 0.000 0.996 258 H CA 0.689 56.604 56.048 -0.223 0.000 1.157 258 H CB 0.296 29.975 29.762 -0.138 0.000 1.355 258 H HN 0.189 nan 8.280 nan 0.000 0.597 259 K N 0.854 121.006 120.400 -0.413 0.000 2.379 259 K HA 0.049 4.364 4.320 -0.008 0.000 0.194 259 K C -0.144 176.501 176.600 0.075 0.000 1.031 259 K CA 0.244 56.420 56.287 -0.184 0.000 1.037 259 K CB 0.280 32.708 32.500 -0.120 0.000 0.824 259 K HN 0.599 nan 8.250 nan 0.000 0.516 260 F N -2.509 117.455 119.950 0.024 0.000 2.818 260 F HA 0.342 4.865 4.527 -0.005 0.000 0.369 260 F C -0.741 175.236 175.800 0.294 0.000 1.327 260 F CA -1.354 56.747 58.000 0.169 0.000 1.211 260 F CB -0.305 38.774 39.000 0.131 0.000 1.036 260 F HN -0.105 nan 8.300 nan 0.000 0.510 261 Y N -0.489 119.803 120.300 -0.013 0.000 4.490 261 Y HA -0.168 4.377 4.550 -0.009 0.000 0.233 261 Y C 1.155 177.025 175.900 -0.051 0.000 1.101 261 Y CA 0.157 58.252 58.100 -0.008 0.000 2.010 261 Y CB -1.474 36.992 38.460 0.011 0.000 1.622 261 Y HN 0.637 nan 8.280 nan 0.000 0.675 262 G N -0.707 108.034 108.800 -0.098 0.000 2.820 262 G HA2 0.739 4.694 3.960 -0.008 0.000 0.291 262 G HA3 0.739 4.694 3.960 -0.008 0.000 0.291 262 G C -2.531 172.299 174.900 -0.116 0.000 1.323 262 G CA -1.377 43.645 45.100 -0.130 0.000 1.055 262 G HN -0.023 nan 8.290 nan 0.000 0.520 263 P HA 0.234 nan 4.420 nan 0.000 0.279 263 P C -0.276 176.993 177.300 -0.052 0.000 1.282 263 P CA -0.565 62.500 63.100 -0.057 0.000 0.788 263 P CB 1.132 32.804 31.700 -0.046 0.000 1.139 264 R N 0.678 121.141 120.500 -0.062 0.000 3.907 264 R HA 0.199 4.534 4.340 -0.008 0.000 0.241 264 R C 0.624 176.905 176.300 -0.032 0.000 1.784 264 R CA 0.069 56.119 56.100 -0.084 0.000 1.509 264 R CB -1.460 28.729 30.300 -0.186 0.000 1.275 264 R HN 0.536 nan 8.270 nan 0.000 0.642 265 I N -4.614 115.956 120.570 0.001 0.000 3.237 265 I HA 0.850 5.015 4.170 -0.008 0.000 0.308 265 I C 0.332 176.501 176.117 0.087 0.000 1.093 265 I CA -1.030 60.294 61.300 0.040 0.000 1.001 265 I CB 2.097 40.117 38.000 0.033 0.000 1.245 265 I HN -0.050 nan 8.210 nan 0.000 0.485 266 G N 0.007 108.890 108.800 0.138 0.000 2.947 266 G HA2 0.869 4.825 3.960 -0.008 0.000 0.293 266 G HA3 0.869 4.825 3.960 -0.008 0.000 0.293 266 G C -1.739 173.311 174.900 0.250 0.000 1.243 266 G CA -0.356 44.854 45.100 0.183 0.000 0.802 266 G HN 1.158 nan 8.290 nan 0.000 0.560 267 A N -1.720 121.221 122.820 0.201 0.000 2.581 267 A HA 0.781 5.096 4.320 -0.008 0.000 0.290 267 A C -2.290 175.364 177.584 0.117 0.000 1.119 267 A CA -0.498 51.619 52.037 0.134 0.000 0.670 267 A CB 1.749 20.784 19.000 0.059 0.000 1.280 267 A HN 1.677 nan 8.150 nan 0.000 0.425 268 L N 0.394 121.662 121.223 0.075 0.000 2.406 268 L HA 0.591 4.926 4.340 -0.008 0.000 0.272 268 L C -1.244 175.691 176.870 0.109 0.000 0.980 268 L CA -0.416 54.495 54.840 0.118 0.000 0.831 268 L CB 1.509 43.621 42.059 0.088 0.000 1.253 268 L HN 0.761 nan 8.230 nan 0.000 0.406 269 Y N 5.940 126.274 120.300 0.056 0.000 2.359 269 Y HA 0.652 5.197 4.550 -0.009 0.000 0.334 269 Y C -0.834 175.109 175.900 0.072 0.000 1.058 269 Y CA -0.140 57.977 58.100 0.028 0.000 1.244 269 Y CB 0.596 39.067 38.460 0.018 0.000 1.187 269 Y HN 0.535 nan 8.280 nan 0.000 0.510 270 I N 7.092 127.264 120.570 -0.664 0.000 2.439 270 I HA 0.320 4.485 4.170 -0.008 0.000 0.283 270 I C -0.375 175.178 176.117 -0.941 0.000 1.023 270 I CA -0.730 60.160 61.300 -0.683 0.000 1.100 270 I CB 1.545 39.337 38.000 -0.347 0.000 1.238 270 I HN 0.539 nan 8.210 nan 0.000 0.445 271 R N 5.056 124.952 120.500 -1.007 0.000 2.458 271 R HA 0.276 4.611 4.340 -0.008 0.000 0.303 271 R C 0.973 177.127 176.300 -0.243 0.000 1.013 271 R CA 1.004 56.775 56.100 -0.547 0.000 1.026 271 R CB 0.144 30.294 30.300 -0.250 0.000 0.948 271 R HN 0.998 nan 8.270 nan 0.000 0.417 272 G N 4.432 113.188 108.800 -0.072 0.000 2.323 272 G HA2 -0.293 3.663 3.960 -0.008 0.000 0.292 272 G HA3 -0.293 3.663 3.960 -0.008 0.000 0.292 272 G C -0.020 174.857 174.900 -0.038 0.000 1.040 272 G CA 0.244 45.430 45.100 0.143 0.000 0.942 272 G HN 0.617 nan 8.290 nan 0.000 0.506 273 L N -0.040 121.077 121.223 -0.177 0.000 2.628 273 L HA 0.439 4.775 4.340 -0.008 0.000 0.274 273 L C 1.532 178.302 176.870 -0.166 0.000 1.209 273 L CA 1.876 56.555 54.840 -0.267 0.000 0.930 273 L CB 0.087 41.918 42.059 -0.381 0.000 1.183 273 L HN 1.686 nan 8.230 nan 0.000 0.492 274 G N 2.767 111.492 108.800 -0.125 0.000 2.132 274 G HA2 -0.307 3.649 3.960 -0.008 0.000 0.234 274 G HA3 -0.307 3.649 3.960 -0.008 0.000 0.234 274 G C 0.424 175.269 174.900 -0.092 0.000 0.989 274 G CA 0.783 45.892 45.100 0.016 0.000 0.676 274 G HN 0.906 nan 8.290 nan 0.000 0.522 275 E N -1.606 118.478 120.200 -0.192 0.000 3.575 275 E HA 0.413 4.758 4.350 -0.008 0.000 0.263 275 E C 1.314 177.577 176.600 -0.562 0.000 1.230 275 E CA 0.301 56.444 56.400 -0.428 0.000 1.875 275 E CB -0.485 28.902 29.700 -0.522 0.000 1.961 275 E HN 0.303 nan 8.360 nan 0.000 0.904 276 F N 0.654 120.569 119.950 -0.059 0.000 2.653 276 F HA 0.432 4.958 4.527 -0.001 0.000 0.288 276 F C 0.182 175.940 175.800 -0.070 0.000 1.121 276 F CA 0.279 58.246 58.000 -0.056 0.000 1.384 276 F CB 1.307 40.268 39.000 -0.066 0.000 1.115 276 F HN -0.153 nan 8.300 nan 0.000 0.599 277 T N 2.920 117.493 114.554 0.032 0.000 2.841 277 T HA 0.363 4.709 4.350 -0.008 0.000 0.285 277 T C -2.709 171.956 174.700 -0.059 0.000 0.991 277 T CA -1.569 60.507 62.100 -0.040 0.000 0.966 277 T CB 2.220 70.968 68.868 -0.200 0.000 0.962 277 T HN -0.277 nan 8.240 nan 0.000 0.438 278 P HA 0.613 nan 4.420 nan 0.000 0.279 278 P C -1.228 176.104 177.300 0.052 0.000 1.252 278 P CA -0.894 62.174 63.100 -0.053 0.000 0.811 278 P CB 0.991 32.585 31.700 -0.176 0.000 1.035 279 L N 2.487 123.730 121.223 0.033 0.000 2.441 279 L HA 0.414 4.749 4.340 -0.008 0.000 0.270 279 L C -1.562 175.416 176.870 0.180 0.000 0.973 279 L CA -0.654 54.270 54.840 0.140 0.000 0.842 279 L CB 0.972 42.990 42.059 -0.068 0.000 1.239 279 L HN 0.214 nan 8.230 nan 0.000 0.406 280 Y N 6.877 127.270 120.300 0.155 0.000 2.425 280 Y HA 0.431 4.976 4.550 -0.009 0.000 0.347 280 Y C -1.754 174.270 175.900 0.206 0.000 0.976 280 Y CA -1.904 56.297 58.100 0.168 0.000 1.190 280 Y CB 0.650 39.176 38.460 0.111 0.000 1.136 280 Y HN 0.486 nan 8.280 nan 0.000 0.517 281 P HA 0.007 nan 4.420 nan 0.000 0.269 281 P C 0.048 177.351 177.300 0.006 0.000 1.217 281 P CA 0.178 63.288 63.100 0.016 0.000 0.783 281 P CB 1.055 32.583 31.700 -0.286 0.000 0.898 282 M N -0.159 119.345 119.600 -0.159 0.000 2.486 282 M HA 0.073 4.548 4.480 -0.008 0.000 0.264 282 M C 0.226 176.360 176.300 -0.276 0.000 1.125 282 M CA 0.884 55.990 55.300 -0.323 0.000 1.144 282 M CB 0.036 32.385 32.600 -0.419 0.000 1.353 282 M HN 0.190 nan 8.290 nan 0.000 0.466 283 L N -0.239 120.758 121.223 -0.377 0.000 2.334 283 L HA 0.547 4.882 4.340 -0.008 0.000 0.273 283 L C -1.086 175.420 176.870 -0.606 0.000 1.013 283 L CA -0.521 54.148 54.840 -0.285 0.000 0.816 283 L CB 1.320 43.299 42.059 -0.133 0.000 1.278 283 L HN -0.063 nan 8.230 nan 0.000 0.431 284 F N 0.604 120.568 119.950 0.022 0.000 2.540 284 F HA 0.811 5.333 4.527 -0.008 0.000 0.317 284 F C 0.680 176.486 175.800 0.010 0.000 1.104 284 F CA -0.272 57.738 58.000 0.016 0.000 0.913 284 F CB 2.306 41.319 39.000 0.023 0.000 1.170 284 F HN 0.560 nan 8.300 nan 0.000 0.450 285 G N 0.693 109.579 108.800 0.145 0.000 2.441 285 G HA2 0.346 4.301 3.960 -0.008 0.000 0.225 285 G HA3 0.346 4.301 3.960 -0.008 0.000 0.225 285 G C 0.179 175.108 174.900 0.049 0.000 1.200 285 G CA -0.109 45.039 45.100 0.080 0.000 0.947 285 G HN 0.878 nan 8.290 nan 0.000 0.484 286 G N -0.353 108.464 108.800 0.028 0.000 3.210 286 G HA2 0.492 4.447 3.960 -0.008 0.000 0.220 286 G HA3 0.492 4.447 3.960 -0.008 0.000 0.220 286 G C 1.327 176.228 174.900 0.002 0.000 1.200 286 G CA 1.581 46.691 45.100 0.017 0.000 0.834 286 G HN 2.287 nan 8.290 nan 0.000 0.524 287 G N -1.148 107.645 108.800 -0.012 0.000 2.176 287 G HA2 -0.243 3.712 3.960 -0.008 0.000 0.232 287 G HA3 -0.243 3.712 3.960 -0.008 0.000 0.232 287 G C 0.352 175.235 174.900 -0.028 0.000 0.986 287 G CA 0.069 45.149 45.100 -0.033 0.000 0.643 287 G HN 0.603 nan 8.290 nan 0.000 0.522 288 Q N 0.537 120.334 119.800 -0.005 0.000 2.417 288 Q HA 0.532 4.867 4.340 -0.008 0.000 0.241 288 Q C 0.798 176.818 176.000 0.035 0.000 1.008 288 Q CA 0.159 55.974 55.803 0.021 0.000 0.901 288 Q CB 0.350 29.108 28.738 0.034 0.000 1.259 288 Q HN 0.305 nan 8.270 nan 0.000 0.489 289 E N 1.398 121.646 120.200 0.081 0.000 2.269 289 E HA -0.307 4.038 4.350 -0.008 0.000 0.223 289 E C -0.538 176.135 176.600 0.122 0.000 1.244 289 E CA 0.937 57.415 56.400 0.129 0.000 0.713 289 E CB -1.195 28.603 29.700 0.163 0.000 1.178 289 E HN 0.715 nan 8.360 nan 0.000 0.370 290 R N -0.192 120.327 120.500 0.031 0.000 3.758 290 R HA -0.272 4.063 4.340 -0.008 0.000 0.299 290 R C 0.382 176.443 176.300 -0.399 0.000 1.182 290 R CA 0.985 57.026 56.100 -0.100 0.000 0.809 290 R CB -1.306 29.036 30.300 0.069 0.000 1.249 290 R HN 0.454 nan 8.270 nan 0.000 0.497 291 N N -2.784 115.766 118.700 -0.251 0.000 2.863 291 N HA -0.258 4.477 4.740 -0.008 0.000 0.245 291 N C 0.144 175.448 175.510 -0.342 0.000 1.001 291 N CA 1.733 54.612 53.050 -0.286 0.000 0.901 291 N CB -1.151 37.165 38.487 -0.286 0.000 1.124 291 N HN 0.353 nan 8.380 nan 0.000 0.582 292 F N -0.201 119.711 119.950 -0.063 0.000 2.512 292 F HA 0.190 4.713 4.527 -0.006 0.000 0.296 292 F C 1.714 177.466 175.800 -0.080 0.000 1.110 292 F CA 0.697 58.653 58.000 -0.073 0.000 1.446 292 F CB 0.330 39.303 39.000 -0.045 0.000 1.092 292 F HN -0.105 nan 8.300 nan 0.000 0.554 293 R N 0.283 120.835 120.500 0.088 0.000 3.033 293 R HA 0.270 4.605 4.340 -0.008 0.000 0.236 293 R C -3.211 173.103 176.300 0.025 0.000 1.774 293 R CA -1.972 54.155 56.100 0.045 0.000 1.401 293 R CB 0.241 30.595 30.300 0.090 0.000 1.539 293 R HN -0.068 nan 8.270 nan 0.000 0.618 294 P HA 0.505 nan 4.420 nan 0.000 0.272 294 P C -0.386 176.920 177.300 0.010 0.000 1.240 294 P CA 0.269 63.364 63.100 -0.009 0.000 0.791 294 P CB 0.837 32.521 31.700 -0.025 0.000 0.978 295 G N -0.832 107.978 108.800 0.018 0.000 2.764 295 G HA2 0.025 3.980 3.960 -0.008 0.000 0.678 295 G HA3 0.025 3.980 3.960 -0.008 0.000 0.678 295 G C -0.726 174.188 174.900 0.025 0.000 1.341 295 G CA -0.948 44.165 45.100 0.022 0.000 0.836 295 G HN 0.523 nan 8.290 nan 0.000 0.632 296 T N 2.314 116.880 114.554 0.021 0.000 2.905 296 T HA 0.326 4.671 4.350 -0.008 0.000 0.299 296 T C 0.704 175.414 174.700 0.016 0.000 1.024 296 T CA 0.603 62.715 62.100 0.020 0.000 1.151 296 T CB 0.586 69.467 68.868 0.021 0.000 0.987 296 T HN 0.605 nan 8.240 nan 0.000 0.535 297 E N 2.566 122.774 120.200 0.013 0.000 2.360 297 E HA 0.064 4.409 4.350 -0.008 0.000 0.269 297 E C 0.523 177.108 176.600 -0.025 0.000 1.022 297 E CA -0.314 56.086 56.400 -0.001 0.000 0.887 297 E CB 0.289 29.988 29.700 -0.003 0.000 0.990 297 E HN 0.348 nan 8.360 nan 0.000 0.426 298 N N 2.695 121.369 118.700 -0.045 0.000 2.739 298 N HA 0.001 4.736 4.740 -0.008 0.000 0.266 298 N C -0.044 175.413 175.510 -0.088 0.000 1.168 298 N CA 0.159 53.177 53.050 -0.054 0.000 1.055 298 N CB 0.213 38.670 38.487 -0.050 0.000 1.393 298 N HN 0.391 nan 8.380 nan 0.000 0.514 299 T N 2.310 116.825 114.554 -0.066 0.000 2.665 299 T HA -0.100 4.245 4.350 -0.008 0.000 0.268 299 T C -0.922 173.735 174.700 -0.072 0.000 1.035 299 T CA 1.355 63.410 62.100 -0.075 0.000 1.151 299 T CB -0.623 68.224 68.868 -0.036 0.000 0.862 299 T HN 0.467 nan 8.240 nan 0.000 0.438 300 P HA 0.010 nan 4.420 nan 0.000 0.217 300 P C 1.662 178.931 177.300 -0.052 0.000 1.150 300 P CA 0.910 63.989 63.100 -0.035 0.000 0.832 300 P CB -0.117 31.565 31.700 -0.030 0.000 0.787 301 M N -1.405 118.152 119.600 -0.071 0.000 2.132 301 M HA -0.089 4.386 4.480 -0.008 0.000 0.263 301 M C 2.197 178.428 176.300 -0.116 0.000 1.065 301 M CA 1.609 56.863 55.300 -0.077 0.000 1.122 301 M CB -1.357 31.199 32.600 -0.073 0.000 1.365 301 M HN -0.022 nan 8.290 nan 0.000 0.411 302 I N 0.280 120.724 120.570 -0.210 0.000 2.226 302 I HA -0.262 3.903 4.170 -0.008 0.000 0.245 302 I C 2.651 178.655 176.117 -0.187 0.000 1.100 302 I CA 1.231 62.305 61.300 -0.377 0.000 1.374 302 I CB -0.645 36.955 38.000 -0.667 0.000 1.057 302 I HN 0.215 nan 8.210 nan 0.000 0.413 303 A N 0.976 123.734 122.820 -0.104 0.000 1.917 303 A HA -0.188 4.128 4.320 -0.008 0.000 0.219 303 A C 2.447 180.035 177.584 0.007 0.000 1.182 303 A CA 2.144 54.165 52.037 -0.027 0.000 0.633 303 A CB -1.522 17.474 19.000 -0.006 0.000 0.819 303 A HN 0.481 nan 8.150 nan 0.000 0.448 304 G N -0.665 108.132 108.800 -0.004 0.000 2.402 304 G HA2 -0.090 3.866 3.960 -0.008 0.000 0.216 304 G HA3 -0.090 3.866 3.960 -0.008 0.000 0.216 304 G C 1.477 176.404 174.900 0.045 0.000 1.162 304 G CA 1.146 46.257 45.100 0.019 0.000 0.777 304 G HN 0.441 nan 8.290 nan 0.000 0.539 305 L N 1.400 122.646 121.223 0.040 0.000 2.056 305 L HA 0.216 4.551 4.340 -0.008 0.000 0.207 305 L C 2.830 179.831 176.870 0.218 0.000 1.078 305 L CA 2.106 57.016 54.840 0.116 0.000 0.749 305 L CB -0.890 41.254 42.059 0.141 0.000 0.901 305 L HN 0.170 nan 8.230 nan 0.000 0.433 306 G N -1.004 107.898 108.800 0.170 0.000 2.418 306 G HA2 -0.333 3.622 3.960 -0.008 0.000 0.217 306 G HA3 -0.333 3.622 3.960 -0.008 0.000 0.217 306 G C 1.698 176.695 174.900 0.163 0.000 1.158 306 G CA 0.932 46.144 45.100 0.187 0.000 0.771 306 G HN 0.343 nan 8.290 nan 0.000 0.545 307 K N 0.927 121.405 120.400 0.131 0.000 2.057 307 K HA 0.167 4.482 4.320 -0.008 0.000 0.206 307 K C 2.697 179.396 176.600 0.166 0.000 1.050 307 K CA 1.452 57.812 56.287 0.122 0.000 0.935 307 K CB -0.530 32.026 32.500 0.092 0.000 0.715 307 K HN 0.159 nan 8.250 nan 0.000 0.439 308 A N 0.574 123.519 122.820 0.208 0.000 1.908 308 A HA -0.093 4.222 4.320 -0.008 0.000 0.218 308 A C 2.359 180.188 177.584 0.408 0.000 1.181 308 A CA 2.041 54.264 52.037 0.310 0.000 0.627 308 A CB -1.051 18.109 19.000 0.267 0.000 0.818 308 A HN 0.441 nan 8.150 nan 0.000 0.445 309 A N -0.297 122.754 122.820 0.385 0.000 1.873 309 A HA -0.153 4.162 4.320 -0.008 0.000 0.215 309 A C 1.870 179.529 177.584 0.124 0.000 1.186 309 A CA 1.586 53.758 52.037 0.225 0.000 0.616 309 A CB -0.594 18.533 19.000 0.213 0.000 0.823 309 A HN 0.617 nan 8.150 nan 0.000 0.442 310 E N -0.154 120.121 120.200 0.126 0.000 2.114 310 E HA -0.235 4.111 4.350 -0.008 0.000 0.199 310 E C 1.915 178.565 176.600 0.083 0.000 1.008 310 E CA 1.466 57.918 56.400 0.087 0.000 0.810 310 E CB -0.366 29.384 29.700 0.083 0.000 0.739 310 E HN 0.635 nan 8.360 nan 0.000 0.456 311 L N 0.270 121.571 121.223 0.130 0.000 2.046 311 L HA -0.185 4.151 4.340 -0.008 0.000 0.208 311 L C 2.456 179.430 176.870 0.174 0.000 1.077 311 L CA 0.712 55.646 54.840 0.156 0.000 0.747 311 L CB -0.320 41.870 42.059 0.218 0.000 0.896 311 L HN 0.076 nan 8.230 nan 0.000 0.432 312 V N -0.720 119.305 119.914 0.185 0.000 2.307 312 V HA -0.274 3.841 4.120 -0.008 0.000 0.245 312 V C 2.540 178.637 176.094 0.005 0.000 1.045 312 V CA 2.303 64.684 62.300 0.135 0.000 1.024 312 V CB -0.789 31.031 31.823 -0.005 0.000 0.651 312 V HN 0.469 nan 8.190 nan 0.000 0.449 313 T N -0.536 114.013 114.554 -0.009 0.000 2.684 313 T HA -0.319 4.026 4.350 -0.008 0.000 0.267 313 T C 1.911 176.579 174.700 -0.053 0.000 1.036 313 T CA 2.111 64.192 62.100 -0.032 0.000 1.148 313 T CB -0.252 68.607 68.868 -0.015 0.000 0.863 313 T HN 0.568 nan 8.240 nan 0.000 0.436 314 Q N 0.632 120.402 119.800 -0.051 0.000 2.123 314 Q HA -0.019 4.316 4.340 -0.008 0.000 0.199 314 Q C 1.094 176.998 176.000 -0.160 0.000 0.966 314 Q CA 1.331 57.086 55.803 -0.079 0.000 0.845 314 Q CB 0.042 28.748 28.738 -0.053 0.000 0.907 314 Q HN 0.596 nan 8.270 nan 0.000 0.439 315 N N -1.551 116.988 118.700 -0.269 0.000 2.143 315 N HA 0.074 4.809 4.740 -0.008 0.000 0.222 315 N C 0.947 176.047 175.510 -0.683 0.000 1.264 315 N CA -0.181 52.538 53.050 -0.551 0.000 0.897 315 N CB 0.390 38.319 38.487 -0.930 0.000 1.092 315 N HN 0.125 nan 8.380 nan 0.000 0.516 316 C N 1.677 120.782 119.300 -0.324 0.000 2.391 316 C HA -0.200 4.255 4.460 -0.008 0.000 0.276 316 C C 2.634 177.562 174.990 -0.103 0.000 1.217 316 C CA 1.695 60.643 59.018 -0.117 0.000 1.766 316 C CB -0.626 27.093 27.740 -0.035 0.000 2.046 316 C HN 0.560 nan 8.230 nan 0.000 0.475 317 E N 0.183 120.304 120.200 -0.131 0.000 2.051 317 E HA -0.146 4.199 4.350 -0.008 0.000 0.192 317 E C 2.241 178.797 176.600 -0.074 0.000 0.991 317 E CA 1.457 57.809 56.400 -0.080 0.000 0.799 317 E CB -0.324 29.332 29.700 -0.074 0.000 0.748 317 E HN 0.656 nan 8.360 nan 0.000 0.449 318 A N 0.350 123.078 122.820 -0.154 0.000 1.873 318 A HA -0.216 4.099 4.320 -0.008 0.000 0.218 318 A C 2.030 179.629 177.584 0.025 0.000 1.193 318 A CA 1.792 53.762 52.037 -0.113 0.000 0.629 318 A CB -1.130 17.738 19.000 -0.220 0.000 0.826 318 A HN 0.462 nan 8.150 nan 0.000 0.447 319 Y N -0.219 120.082 120.300 0.002 0.000 2.128 319 Y HA -0.193 4.352 4.550 -0.009 0.000 0.284 319 Y C 2.442 178.373 175.900 0.051 0.000 1.154 319 Y CA 1.101 59.212 58.100 0.019 0.000 1.149 319 Y CB -1.088 37.365 38.460 -0.012 0.000 0.976 319 Y HN 0.605 nan 8.280 nan 0.000 0.505 320 E N 0.041 120.352 120.200 0.185 0.000 2.058 320 E HA -0.213 4.132 4.350 -0.008 0.000 0.194 320 E C 2.342 178.990 176.600 0.080 0.000 0.997 320 E CA 1.286 57.751 56.400 0.108 0.000 0.801 320 E CB -0.222 29.515 29.700 0.063 0.000 0.746 320 E HN 0.361 nan 8.360 nan 0.000 0.450 321 A N 0.117 122.981 122.820 0.074 0.000 1.930 321 A HA -0.206 4.109 4.320 -0.008 0.000 0.217 321 A C 1.969 179.588 177.584 0.058 0.000 1.175 321 A CA 1.846 53.914 52.037 0.052 0.000 0.627 321 A CB -0.819 18.204 19.000 0.040 0.000 0.815 321 A HN 0.544 nan 8.150 nan 0.000 0.443 322 H N -0.770 118.320 119.070 0.033 0.000 2.333 322 H HA 0.047 4.598 4.556 -0.008 0.000 0.302 322 H C 1.947 177.294 175.328 0.031 0.000 1.075 322 H CA 2.042 58.108 56.048 0.029 0.000 1.348 322 H CB -0.301 29.486 29.762 0.042 0.000 1.393 322 H HN 0.373 nan 8.280 nan 0.000 0.509 323 M N -0.096 119.459 119.600 -0.074 0.000 2.080 323 M HA -0.206 4.269 4.480 -0.008 0.000 0.260 323 M C 2.605 178.850 176.300 -0.092 0.000 1.068 323 M CA 2.129 57.370 55.300 -0.098 0.000 1.109 323 M CB -0.224 32.391 32.600 0.024 0.000 1.342 323 M HN 0.274 nan 8.290 nan 0.000 0.405 324 R N 0.520 120.997 120.500 -0.039 0.000 2.096 324 R HA -0.241 4.094 4.340 -0.008 0.000 0.240 324 R C 1.744 178.025 176.300 -0.032 0.000 1.139 324 R CA 2.499 58.587 56.100 -0.019 0.000 0.952 324 R CB -0.447 29.855 30.300 0.002 0.000 0.854 324 R HN 0.370 nan 8.270 nan 0.000 0.436 325 D N -0.630 119.734 120.400 -0.061 0.000 2.116 325 D HA -0.175 4.461 4.640 -0.008 0.000 0.193 325 D C 1.882 178.160 176.300 -0.037 0.000 0.998 325 D CA 2.035 56.003 54.000 -0.053 0.000 0.836 325 D CB 0.077 40.830 40.800 -0.079 0.000 0.951 325 D HN 0.244 nan 8.370 nan 0.000 0.449 326 V N -1.667 118.178 119.914 -0.115 0.000 2.649 326 V HA 0.057 4.172 4.120 -0.008 0.000 0.248 326 V C 2.370 178.495 176.094 0.052 0.000 1.054 326 V CA 0.954 63.234 62.300 -0.035 0.000 1.073 326 V CB -0.418 31.320 31.823 -0.142 0.000 0.699 326 V HN 0.102 nan 8.190 nan 0.000 0.463 327 R N 0.726 121.230 120.500 0.008 0.000 2.075 327 R HA -0.146 4.189 4.340 -0.008 0.000 0.232 327 R C 1.953 178.266 176.300 0.022 0.000 1.126 327 R CA 2.232 58.345 56.100 0.023 0.000 0.963 327 R CB -0.791 29.520 30.300 0.018 0.000 0.858 327 R HN 0.608 nan 8.270 nan 0.000 0.435 328 D N -0.519 119.899 120.400 0.030 0.000 2.117 328 D HA -0.173 4.462 4.640 -0.008 0.000 0.198 328 D C 1.651 177.980 176.300 0.048 0.000 0.982 328 D CA 0.949 54.965 54.000 0.028 0.000 0.828 328 D CB -0.504 40.315 40.800 0.031 0.000 0.967 328 D HN 0.216 nan 8.370 nan 0.000 0.464 329 Y N 1.378 121.654 120.300 -0.041 0.000 2.128 329 Y HA -0.212 4.333 4.550 -0.009 0.000 0.284 329 Y C 2.158 178.034 175.900 -0.040 0.000 1.154 329 Y CA 1.060 59.139 58.100 -0.036 0.000 1.149 329 Y CB -0.642 37.798 38.460 -0.033 0.000 0.976 329 Y HN -0.039 nan 8.280 nan 0.000 0.505 330 L N 0.867 122.040 121.223 -0.084 0.000 1.990 330 L HA -0.252 4.084 4.340 -0.008 0.000 0.213 330 L C 2.141 178.879 176.870 -0.219 0.000 1.072 330 L CA 2.381 57.125 54.840 -0.160 0.000 0.755 330 L CB -1.031 41.003 42.059 -0.041 0.000 0.889 330 L HN 0.354 nan 8.230 nan 0.000 0.432 331 E N -0.647 119.457 120.200 -0.161 0.000 2.097 331 E HA -0.312 4.034 4.350 -0.008 0.000 0.196 331 E C 2.067 178.563 176.600 -0.174 0.000 1.000 331 E CA 1.537 57.833 56.400 -0.173 0.000 0.804 331 E CB -0.281 29.357 29.700 -0.104 0.000 0.740 331 E HN 0.716 nan 8.360 nan 0.000 0.454 332 E N 0.881 120.980 120.200 -0.167 0.000 2.051 332 E HA -0.215 4.130 4.350 -0.008 0.000 0.192 332 E C 2.131 178.602 176.600 -0.215 0.000 0.991 332 E CA 0.813 57.118 56.400 -0.159 0.000 0.799 332 E CB 0.157 29.787 29.700 -0.118 0.000 0.748 332 E HN 0.037 nan 8.360 nan 0.000 0.449 333 R N 0.303 120.594 120.500 -0.349 0.000 2.115 333 R HA -0.024 4.312 4.340 -0.008 0.000 0.226 333 R C 2.555 178.739 176.300 -0.194 0.000 1.100 333 R CA 0.535 56.436 56.100 -0.332 0.000 0.980 333 R CB -0.588 29.412 30.300 -0.501 0.000 0.875 333 R HN 0.338 nan 8.270 nan 0.000 0.445 334 L N 0.603 121.717 121.223 -0.182 0.000 2.046 334 L HA -0.160 4.176 4.340 -0.008 0.000 0.208 334 L C 2.227 179.105 176.870 0.013 0.000 1.077 334 L CA 1.458 56.254 54.840 -0.073 0.000 0.747 334 L CB -0.309 41.559 42.059 -0.318 0.000 0.896 334 L HN 0.200 nan 8.230 nan 0.000 0.432 335 E N -0.143 120.015 120.200 -0.070 0.000 2.107 335 E HA -0.147 4.198 4.350 -0.008 0.000 0.191 335 E C 2.322 178.899 176.600 -0.038 0.000 0.982 335 E CA 0.902 57.279 56.400 -0.038 0.000 0.809 335 E CB -0.103 29.558 29.700 -0.064 0.000 0.756 335 E HN 0.477 nan 8.360 nan 0.000 0.459 336 A N 1.606 124.380 122.820 -0.076 0.000 1.902 336 A HA -0.211 4.104 4.320 -0.008 0.000 0.217 336 A C 1.972 179.492 177.584 -0.106 0.000 1.181 336 A CA 1.339 53.326 52.037 -0.084 0.000 0.623 336 A CB -0.190 18.750 19.000 -0.099 0.000 0.818 336 A HN 0.084 nan 8.150 nan 0.000 0.443 337 E N -1.539 118.572 120.200 -0.149 0.000 2.140 337 E HA 0.016 4.361 4.350 -0.008 0.000 0.191 337 E C 1.383 177.729 176.600 -0.425 0.000 0.973 337 E CA 0.752 56.969 56.400 -0.304 0.000 0.829 337 E CB -0.155 29.298 29.700 -0.413 0.000 0.781 337 E HN 0.711 nan 8.360 nan 0.000 0.466 338 F N 0.219 120.134 119.950 -0.058 0.000 2.678 338 F HA 0.303 4.825 4.527 -0.008 0.000 0.291 338 F C 1.099 176.880 175.800 -0.032 0.000 1.123 338 F CA 0.663 58.642 58.000 -0.034 0.000 1.395 338 F CB 0.698 39.684 39.000 -0.023 0.000 1.121 338 F HN -0.046 nan 8.300 nan 0.000 0.592 339 G N 0.874 109.737 108.800 0.106 0.000 3.055 339 G HA2 -0.174 3.781 3.960 -0.008 0.000 0.686 339 G HA3 -0.174 3.781 3.960 -0.008 0.000 0.686 339 G C 0.222 175.144 174.900 0.037 0.000 1.087 339 G CA -0.443 44.688 45.100 0.050 0.000 0.779 339 G HN 0.086 nan 8.290 nan 0.000 0.599 340 Q N 0.331 120.127 119.800 -0.006 0.000 2.156 340 Q HA -0.215 4.120 4.340 -0.008 0.000 0.211 340 Q C 2.555 178.523 176.000 -0.053 0.000 0.995 340 Q CA 2.053 57.834 55.803 -0.037 0.000 0.877 340 Q CB -0.030 28.681 28.738 -0.044 0.000 0.920 340 Q HN 0.679 nan 8.270 nan 0.000 0.416 341 K N -0.020 120.363 120.400 -0.028 0.000 2.148 341 K HA -0.082 4.233 4.320 -0.008 0.000 0.204 341 K C 1.845 178.437 176.600 -0.013 0.000 1.050 341 K CA 0.582 56.848 56.287 -0.034 0.000 0.942 341 K CB 0.161 32.658 32.500 -0.005 0.000 0.724 341 K HN 0.043 nan 8.250 nan 0.000 0.446 342 R N 0.198 120.716 120.500 0.030 0.000 2.275 342 R HA 0.097 4.432 4.340 -0.008 0.000 0.199 342 R C 0.160 176.496 176.300 0.061 0.000 0.989 342 R CA 0.359 56.499 56.100 0.067 0.000 1.016 342 R CB 0.359 30.729 30.300 0.115 0.000 0.918 342 R HN 0.081 nan 8.270 nan 0.000 0.473 343 I N 1.403 121.980 120.570 0.011 0.000 2.362 343 I HA 0.199 4.365 4.170 -0.008 0.000 0.289 343 I C -0.034 176.061 176.117 -0.036 0.000 0.994 343 I CA -0.678 60.636 61.300 0.023 0.000 1.158 343 I CB 1.329 39.311 38.000 -0.029 0.000 1.315 343 I HN -0.066 nan 8.210 nan 0.000 0.451 344 H N 6.842 125.927 119.070 0.024 0.000 2.556 344 H HA 0.371 4.922 4.556 -0.008 0.000 0.310 344 H C -0.376 174.968 175.328 0.026 0.000 1.057 344 H CA -0.627 55.421 56.048 -0.000 0.000 1.264 344 H CB 2.032 31.781 29.762 -0.022 0.000 1.404 344 H HN 0.370 nan 8.280 nan 0.000 0.462 345 L N 4.260 125.513 121.223 0.051 0.000 2.312 345 L HA 0.047 4.383 4.340 -0.008 0.000 0.287 345 L C 1.151 178.009 176.870 -0.020 0.000 1.091 345 L CA -0.383 54.478 54.840 0.035 0.000 0.846 345 L CB 0.229 42.272 42.059 -0.027 0.000 1.219 345 L HN 0.565 nan 8.230 nan 0.000 0.439 346 N N 0.572 119.272 118.700 0.000 0.000 2.309 346 N HA -0.104 4.631 4.740 -0.008 0.000 0.182 346 N C 1.437 176.870 175.510 -0.128 0.000 1.018 346 N CA 0.846 53.847 53.050 -0.081 0.000 0.876 346 N CB 0.241 38.691 38.487 -0.062 0.000 0.972 346 N HN 0.452 nan 8.380 nan 0.000 0.434 347 S N 0.132 115.799 115.700 -0.056 0.000 2.562 347 S HA -0.010 4.456 4.470 -0.008 0.000 0.221 347 S C 0.765 175.393 174.600 0.046 0.000 0.975 347 S CA 0.082 58.279 58.200 -0.004 0.000 0.918 347 S CB 0.228 63.441 63.200 0.022 0.000 0.772 347 S HN 0.350 nan 8.310 nan 0.000 0.531 348 Q N 0.538 120.295 119.800 -0.072 0.000 2.368 348 Q HA 0.390 4.725 4.340 -0.008 0.000 0.256 348 Q C -1.660 174.210 176.000 -0.216 0.000 0.980 348 Q CA -0.272 55.499 55.803 -0.053 0.000 0.887 348 Q CB 0.351 29.051 28.738 -0.064 0.000 1.221 348 Q HN 0.234 nan 8.270 nan 0.000 0.458 349 F N 5.264 125.218 119.950 0.007 0.000 2.444 349 F HA 0.410 4.934 4.527 -0.005 0.000 0.342 349 F C -1.733 174.080 175.800 0.021 0.000 1.121 349 F CA -2.452 55.562 58.000 0.023 0.000 0.997 349 F CB 1.397 40.421 39.000 0.040 0.000 1.130 349 F HN 0.476 nan 8.300 nan 0.000 0.454 350 P HA 0.059 nan 4.420 nan 0.000 0.258 350 P C 0.712 178.076 177.300 0.106 0.000 1.187 350 P CA 0.871 64.031 63.100 0.101 0.000 0.767 350 P CB 0.339 32.083 31.700 0.074 0.000 0.770 351 G N 2.453 111.302 108.800 0.081 0.000 2.159 351 G HA2 -0.198 3.757 3.960 -0.008 0.000 0.256 351 G HA3 -0.198 3.757 3.960 -0.008 0.000 0.256 351 G C 0.096 175.036 174.900 0.066 0.000 0.977 351 G CA 0.064 45.203 45.100 0.065 0.000 0.652 351 G HN 0.611 nan 8.290 nan 0.000 0.531 352 T N 1.002 115.612 114.554 0.093 0.000 2.756 352 T HA 0.503 4.848 4.350 -0.008 0.000 0.290 352 T C 0.266 175.009 174.700 0.071 0.000 0.985 352 T CA -0.232 61.912 62.100 0.073 0.000 0.955 352 T CB 1.753 70.664 68.868 0.072 0.000 0.930 352 T HN 0.494 nan 8.240 nan 0.000 0.451 353 Q N 3.677 123.505 119.800 0.046 0.000 2.304 353 Q HA 0.038 4.374 4.340 -0.008 0.000 0.315 353 Q C 0.222 176.251 176.000 0.049 0.000 1.075 353 Q CA 0.458 56.286 55.803 0.041 0.000 0.988 353 Q CB 0.479 29.233 28.738 0.027 0.000 1.146 353 Q HN 0.687 nan 8.270 nan 0.000 0.383 354 R N 2.549 123.080 120.500 0.051 0.000 2.905 354 R HA 0.552 4.887 4.340 -0.008 0.000 0.260 354 R C -0.837 175.490 176.300 0.045 0.000 1.086 354 R CA -1.099 55.032 56.100 0.053 0.000 0.978 354 R CB 0.623 30.962 30.300 0.064 0.000 1.215 354 R HN 0.468 nan 8.270 nan 0.000 0.480 355 L N 1.767 123.018 121.223 0.047 0.000 2.483 355 L HA 0.137 4.472 4.340 -0.008 0.000 0.276 355 L C -1.208 175.688 176.870 0.044 0.000 1.213 355 L CA -1.552 53.315 54.840 0.046 0.000 0.843 355 L CB 0.720 42.811 42.059 0.053 0.000 1.107 355 L HN 0.601 nan 8.230 nan 0.000 0.487 356 P HA -0.104 nan 4.420 nan 0.000 0.226 356 P C 0.407 177.726 177.300 0.031 0.000 1.153 356 P CA 1.018 64.139 63.100 0.035 0.000 0.777 356 P CB 0.057 31.778 31.700 0.036 0.000 0.794 357 N N -1.077 117.648 118.700 0.043 0.000 2.282 357 N HA 0.013 4.748 4.740 -0.008 0.000 0.185 357 N C -0.126 175.421 175.510 0.060 0.000 1.099 357 N CA 0.267 53.344 53.050 0.046 0.000 0.878 357 N CB -0.521 38.000 38.487 0.056 0.000 0.993 357 N HN -0.129 nan 8.380 nan 0.000 0.481 358 T N 0.957 115.546 114.554 0.058 0.000 2.795 358 T HA 0.375 4.720 4.350 -0.008 0.000 0.282 358 T C -0.831 173.906 174.700 0.063 0.000 0.980 358 T CA -0.491 61.646 62.100 0.062 0.000 1.012 358 T CB 1.513 70.415 68.868 0.056 0.000 0.936 358 T HN 0.290 nan 8.240 nan 0.000 0.457 359 C N 5.620 124.971 119.300 0.084 0.000 2.478 359 C HA 0.496 4.951 4.460 -0.008 0.000 0.334 359 C C -0.443 174.650 174.990 0.172 0.000 1.106 359 C CA -1.035 58.053 59.018 0.117 0.000 1.363 359 C CB -0.594 27.216 27.740 0.117 0.000 1.941 359 C HN 0.869 nan 8.230 nan 0.000 0.436 360 N N 5.131 123.898 118.700 0.111 0.000 2.426 360 N HA 0.614 5.349 4.740 -0.008 0.000 0.257 360 N C -0.884 174.691 175.510 0.109 0.000 1.002 360 N CA 0.033 53.113 53.050 0.049 0.000 0.942 360 N CB 0.803 39.276 38.487 -0.023 0.000 1.112 360 N HN 0.727 nan 8.380 nan 0.000 0.499 361 F N 0.172 120.089 119.950 -0.055 0.000 2.643 361 F HA 0.684 5.206 4.527 -0.009 0.000 0.314 361 F C -0.983 174.777 175.800 -0.068 0.000 1.096 361 F CA -0.888 57.079 58.000 -0.056 0.000 0.953 361 F CB 1.072 40.036 39.000 -0.060 0.000 1.345 361 F HN 0.047 nan 8.300 nan 0.000 0.468 362 S N 1.633 117.351 115.700 0.029 0.000 2.526 362 S HA 0.717 5.182 4.470 -0.008 0.000 0.293 362 S C -0.940 173.704 174.600 0.073 0.000 1.092 362 S CA -0.647 57.503 58.200 -0.082 0.000 0.980 362 S CB 1.703 64.845 63.200 -0.098 0.000 1.048 362 S HN 0.588 nan 8.310 nan 0.000 0.483 363 I N 2.304 122.850 120.570 -0.040 0.000 2.354 363 I HA 0.386 4.551 4.170 -0.008 0.000 0.292 363 I C 0.305 176.399 176.117 -0.038 0.000 0.989 363 I CA -0.658 60.603 61.300 -0.065 0.000 1.188 363 I CB 1.096 38.948 38.000 -0.247 0.000 1.342 363 I HN 0.380 nan 8.210 nan 0.000 0.457 364 R N 4.219 124.735 120.500 0.027 0.000 2.484 364 R HA 0.518 4.853 4.340 -0.008 0.000 0.293 364 R C 0.140 176.445 176.300 0.009 0.000 1.023 364 R CA 0.154 56.272 56.100 0.029 0.000 1.037 364 R CB 0.474 30.825 30.300 0.085 0.000 0.951 364 R HN 0.942 nan 8.270 nan 0.000 0.418 365 G N 3.379 112.177 108.800 -0.004 0.000 2.378 365 G HA2 0.049 4.004 3.960 -0.008 0.000 0.302 365 G HA3 0.049 4.004 3.960 -0.008 0.000 0.302 365 G C -2.460 172.435 174.900 -0.009 0.000 1.669 365 G CA -0.980 44.120 45.100 0.001 0.000 0.920 365 G HN 0.380 nan 8.290 nan 0.000 0.697 366 P HA -0.089 nan 4.420 nan 0.000 0.220 366 P C 1.135 178.429 177.300 -0.011 0.000 1.148 366 P CA 0.714 63.813 63.100 -0.001 0.000 0.803 366 P CB 0.310 32.013 31.700 0.005 0.000 0.782 367 R N -0.477 120.013 120.500 -0.016 0.000 2.317 367 R HA 0.254 4.589 4.340 -0.008 0.000 0.208 367 R C 1.145 177.412 176.300 -0.055 0.000 0.914 367 R CA 0.127 56.210 56.100 -0.028 0.000 1.060 367 R CB -0.210 30.079 30.300 -0.017 0.000 1.015 367 R HN 0.343 nan 8.270 nan 0.000 0.498 368 L N 1.808 122.994 121.223 -0.061 0.000 3.100 368 L HA 0.262 4.598 4.340 -0.008 0.000 0.259 368 L C -0.411 176.389 176.870 -0.117 0.000 1.316 368 L CA -0.474 54.314 54.840 -0.087 0.000 0.992 368 L CB 0.292 42.306 42.059 -0.075 0.000 1.390 368 L HN -0.183 nan 8.230 nan 0.000 0.550 369 Q N 0.190 119.912 119.800 -0.130 0.000 2.395 369 Q HA 0.100 4.436 4.340 -0.008 0.000 0.271 369 Q C 1.524 177.414 176.000 -0.182 0.000 1.026 369 Q CA 0.801 56.523 55.803 -0.136 0.000 0.900 369 Q CB 0.921 29.590 28.738 -0.115 0.000 1.266 369 Q HN 0.374 nan 8.270 nan 0.000 0.430 370 G N 1.324 110.050 108.800 -0.123 0.000 2.491 370 G HA2 -0.359 3.596 3.960 -0.008 0.000 0.218 370 G HA3 -0.359 3.596 3.960 -0.008 0.000 0.218 370 G C 1.146 175.991 174.900 -0.092 0.000 1.180 370 G CA 1.557 46.581 45.100 -0.127 0.000 0.774 370 G HN 1.015 nan 8.290 nan 0.000 0.562 371 H N -0.611 118.415 119.070 -0.073 0.000 2.387 371 H HA 0.090 4.641 4.556 -0.008 0.000 0.299 371 H C 2.267 177.571 175.328 -0.040 0.000 1.090 371 H CA 1.178 57.196 56.048 -0.051 0.000 1.332 371 H CB -0.450 29.289 29.762 -0.039 0.000 1.386 371 H HN 0.153 nan 8.280 nan 0.000 0.516 372 V N 0.736 120.239 119.914 -0.686 0.000 2.358 372 V HA -0.204 3.911 4.120 -0.008 0.000 0.246 372 V C 2.568 178.543 176.094 -0.197 0.000 1.047 372 V CA 1.384 63.406 62.300 -0.464 0.000 1.035 372 V CB -0.318 31.229 31.823 -0.461 0.000 0.658 372 V HN 0.402 nan 8.190 nan 0.000 0.452 373 V N -0.189 119.626 119.914 -0.166 0.000 2.358 373 V HA -0.227 3.889 4.120 -0.008 0.000 0.246 373 V C 2.293 178.354 176.094 -0.054 0.000 1.047 373 V CA 1.819 64.064 62.300 -0.091 0.000 1.035 373 V CB -0.474 31.291 31.823 -0.096 0.000 0.658 373 V HN 0.437 nan 8.190 nan 0.000 0.452 374 L N 0.214 121.403 121.223 -0.056 0.000 2.046 374 L HA -0.149 4.186 4.340 -0.008 0.000 0.208 374 L C 2.690 179.556 176.870 -0.007 0.000 1.077 374 L CA 1.528 56.354 54.840 -0.023 0.000 0.747 374 L CB -0.799 41.249 42.059 -0.018 0.000 0.896 374 L HN 0.362 nan 8.230 nan 0.000 0.432 375 A N -0.874 121.939 122.820 -0.011 0.000 2.076 375 A HA -0.190 4.125 4.320 -0.008 0.000 0.220 375 A C 2.141 179.726 177.584 0.000 0.000 1.160 375 A CA 1.265 53.303 52.037 0.002 0.000 0.653 375 A CB -0.228 18.776 19.000 0.008 0.000 0.801 375 A HN 0.418 nan 8.150 nan 0.000 0.455 376 Q N -1.082 118.714 119.800 -0.006 0.000 2.408 376 Q HA 0.084 4.419 4.340 -0.008 0.000 0.205 376 Q C 0.394 176.405 176.000 0.017 0.000 0.919 376 Q CA 0.132 55.937 55.803 0.004 0.000 0.932 376 Q CB -0.508 28.230 28.738 0.000 0.000 1.058 376 Q HN 0.621 nan 8.270 nan 0.000 0.517 377 C N 1.458 120.770 119.300 0.020 0.000 2.637 377 C HA 0.191 4.647 4.460 -0.008 0.000 0.418 377 C C 1.739 176.748 174.990 0.031 0.000 1.319 377 C CA -0.257 58.781 59.018 0.033 0.000 1.949 377 C CB 0.129 27.890 27.740 0.035 0.000 2.639 377 C HN 0.408 nan 8.230 nan 0.000 0.594 378 R N 1.875 122.396 120.500 0.036 0.000 2.308 378 R HA 0.132 4.467 4.340 -0.008 0.000 0.202 378 R C 0.992 177.316 176.300 0.040 0.000 0.898 378 R CA 0.328 56.449 56.100 0.034 0.000 1.046 378 R CB 0.147 30.465 30.300 0.030 0.000 1.026 378 R HN 0.633 nan 8.270 nan 0.000 0.512 379 V N 0.360 120.302 119.914 0.047 0.000 2.948 379 V HA 0.081 4.196 4.120 -0.008 0.000 0.234 379 V C 0.400 176.531 176.094 0.062 0.000 1.205 379 V CA -0.100 62.234 62.300 0.056 0.000 1.234 379 V CB 0.107 31.966 31.823 0.060 0.000 1.020 379 V HN 0.082 nan 8.190 nan 0.000 0.491 380 L N 2.029 123.287 121.223 0.059 0.000 2.455 380 L HA 0.257 4.592 4.340 -0.008 0.000 0.272 380 L C -0.267 176.625 176.870 0.036 0.000 1.174 380 L CA 1.064 55.936 54.840 0.054 0.000 0.869 380 L CB 0.314 42.408 42.059 0.057 0.000 1.130 380 L HN 0.241 nan 8.230 nan 0.000 0.474 381 M N 6.122 125.736 119.600 0.022 0.000 2.125 381 M HA 0.682 5.158 4.480 -0.008 0.000 0.321 381 M C -0.282 175.945 176.300 -0.123 0.000 0.983 381 M CA -0.179 55.117 55.300 -0.007 0.000 0.934 381 M CB 1.537 34.187 32.600 0.083 0.000 1.542 381 M HN 0.816 nan 8.290 nan 0.000 0.424 382 A N 2.009 124.768 122.820 -0.102 0.000 2.583 382 A HA 0.968 5.284 4.320 -0.008 0.000 0.299 382 A C -0.892 176.634 177.584 -0.097 0.000 1.258 382 A CA -0.458 51.497 52.037 -0.137 0.000 0.682 382 A CB 1.474 20.424 19.000 -0.084 0.000 1.332 382 A HN 0.726 nan 8.150 nan 0.000 0.485 383 S N -1.835 113.812 115.700 -0.088 0.000 2.732 383 S HA 0.603 5.068 4.470 -0.008 0.000 0.293 383 S C 0.056 174.619 174.600 -0.062 0.000 1.159 383 S CA 0.172 58.337 58.200 -0.059 0.000 0.847 383 S CB 1.034 64.205 63.200 -0.048 0.000 1.169 383 S HN 2.069 nan 8.310 nan 0.000 0.501 384 V N -1.987 117.904 119.914 -0.039 0.000 3.427 384 V HA 0.758 4.873 4.120 -0.008 0.000 0.305 384 V C 0.713 176.793 176.094 -0.023 0.000 1.412 384 V CA 0.685 62.956 62.300 -0.049 0.000 1.086 384 V CB -0.550 31.256 31.823 -0.028 0.000 0.964 384 V HN 1.440 nan 8.190 nan 0.000 0.439 385 G N -0.351 108.448 108.800 -0.001 0.000 2.393 385 G HA2 0.541 4.496 3.960 -0.008 0.000 0.264 385 G HA3 0.541 4.496 3.960 -0.008 0.000 0.264 385 G C -0.507 174.415 174.900 0.037 0.000 1.221 385 G CA -0.257 44.864 45.100 0.036 0.000 0.912 385 G HN 0.972 nan 8.290 nan 0.000 0.483 386 A N 0.100 122.956 122.820 0.061 0.000 2.548 386 A HA 0.558 4.873 4.320 -0.008 0.000 0.247 386 A C 1.912 179.459 177.584 -0.061 0.000 1.067 386 A CA 1.376 53.392 52.037 -0.035 0.000 0.757 386 A CB 0.172 19.029 19.000 -0.238 0.000 0.996 386 A HN 2.302 nan 8.150 nan 0.000 0.504 387 A N 2.280 125.080 122.820 -0.033 0.000 1.940 387 A HA -0.288 4.027 4.320 -0.008 0.000 0.221 387 A C 2.130 179.685 177.584 -0.048 0.000 1.190 387 A CA 2.372 54.397 52.037 -0.020 0.000 0.647 387 A CB -1.527 17.482 19.000 0.016 0.000 0.821 387 A HN 1.885 nan 8.150 nan 0.000 0.457 388 C N -2.805 116.419 119.300 -0.126 0.000 2.539 388 C HA 0.259 4.714 4.460 -0.008 0.000 0.271 388 C C 1.473 176.404 174.990 -0.099 0.000 1.412 388 C CA 0.353 59.288 59.018 -0.138 0.000 1.729 388 C CB -2.313 25.321 27.740 -0.175 0.000 1.739 388 C HN 0.639 nan 8.230 nan 0.000 0.570 389 H N 0.827 119.907 119.070 0.016 0.000 2.581 389 H HA 0.139 4.690 4.556 -0.008 0.000 0.275 389 H C 2.081 177.424 175.328 0.026 0.000 1.126 389 H CA 0.376 56.450 56.048 0.043 0.000 1.097 389 H CB 0.472 30.253 29.762 0.030 0.000 1.626 389 H HN 0.652 nan 8.280 nan 0.000 0.565 390 S N 0.089 115.833 115.700 0.075 0.000 2.383 390 S HA -0.196 4.269 4.470 -0.008 0.000 0.227 390 S C 1.613 176.191 174.600 -0.036 0.000 1.026 390 S CA 1.133 59.343 58.200 0.017 0.000 0.981 390 S CB 0.003 63.200 63.200 -0.004 0.000 0.818 390 S HN 0.248 nan 8.310 nan 0.000 0.472 391 D N 1.813 122.166 120.400 -0.078 0.000 2.248 391 D HA -0.183 4.452 4.640 -0.008 0.000 0.189 391 D C 1.085 177.193 176.300 -0.320 0.000 1.011 391 D CA 1.573 55.437 54.000 -0.227 0.000 0.868 391 D CB -0.575 40.024 40.800 -0.334 0.000 0.931 391 D HN 0.588 nan 8.370 nan 0.000 0.449 392 H N -0.637 118.412 119.070 -0.035 0.000 2.660 392 H HA 0.283 4.834 4.556 -0.008 0.000 0.310 392 H C 1.684 176.961 175.328 -0.085 0.000 1.080 392 H CA 0.297 56.307 56.048 -0.064 0.000 1.145 392 H CB -0.215 29.511 29.762 -0.060 0.000 1.432 392 H HN 0.107 nan 8.280 nan 0.000 0.542 393 G N 0.327 109.096 108.800 -0.052 0.000 2.535 393 G HA2 -0.198 3.757 3.960 -0.008 0.000 0.218 393 G HA3 -0.198 3.757 3.960 -0.008 0.000 0.218 393 G C 1.102 175.896 174.900 -0.175 0.000 1.122 393 G CA 0.229 45.278 45.100 -0.085 0.000 0.769 393 G HN 0.319 nan 8.290 nan 0.000 0.549 394 D N -0.261 119.998 120.400 -0.235 0.000 2.289 394 D HA 0.070 4.705 4.640 -0.008 0.000 0.207 394 D C 1.101 177.379 176.300 -0.036 0.000 0.966 394 D CA 0.682 54.534 54.000 -0.246 0.000 0.868 394 D CB 0.300 40.972 40.800 -0.212 0.000 0.943 394 D HN 0.319 nan 8.370 nan 0.000 0.514 395 Q N -0.055 119.734 119.800 -0.018 0.000 2.351 395 Q HA 0.461 4.796 4.340 -0.008 0.000 0.273 395 Q C -2.467 173.482 176.000 -0.086 0.000 1.077 395 Q CA -1.827 53.968 55.803 -0.014 0.000 0.843 395 Q CB 1.895 30.641 28.738 0.014 0.000 1.367 395 Q HN -0.135 nan 8.270 nan 0.000 0.449 396 P HA -0.002 nan 4.420 nan 0.000 0.272 396 P C -0.763 176.438 177.300 -0.165 0.000 1.230 396 P CA -0.327 62.616 63.100 -0.261 0.000 0.788 396 P CB 0.664 32.032 31.700 -0.553 0.000 0.949 397 S N 2.742 118.370 115.700 -0.119 0.000 2.546 397 S HA 0.056 4.522 4.470 -0.008 0.000 0.290 397 S C -1.377 173.178 174.600 -0.076 0.000 1.262 397 S CA -0.848 57.310 58.200 -0.070 0.000 1.083 397 S CB -0.463 62.727 63.200 -0.017 0.000 0.859 397 S HN 0.232 nan 8.310 nan 0.000 0.495 398 P HA -0.100 nan 4.420 nan 0.000 0.218 398 P C 1.354 178.635 177.300 -0.032 0.000 1.146 398 P CA 0.627 63.673 63.100 -0.090 0.000 0.813 398 P CB 0.064 31.670 31.700 -0.156 0.000 0.778 399 V N -0.675 119.248 119.914 0.016 0.000 2.323 399 V HA -0.178 3.937 4.120 -0.008 0.000 0.244 399 V C 2.446 178.671 176.094 0.218 0.000 1.041 399 V CA 1.423 63.787 62.300 0.107 0.000 1.025 399 V CB -1.120 30.803 31.823 0.166 0.000 0.656 399 V HN 0.065 nan 8.190 nan 0.000 0.451 400 L N -0.577 120.739 121.223 0.155 0.000 2.079 400 L HA -0.202 4.134 4.340 -0.008 0.000 0.210 400 L C 2.415 179.372 176.870 0.145 0.000 1.081 400 L CA 1.540 56.479 54.840 0.165 0.000 0.752 400 L CB -0.523 41.552 42.059 0.026 0.000 0.896 400 L HN 0.329 nan 8.230 nan 0.000 0.433 401 L N -0.982 120.273 121.223 0.053 0.000 2.046 401 L HA -0.179 4.156 4.340 -0.008 0.000 0.208 401 L C 2.634 179.542 176.870 0.062 0.000 1.077 401 L CA 1.081 55.947 54.840 0.044 0.000 0.747 401 L CB -0.494 41.572 42.059 0.012 0.000 0.896 401 L HN 0.201 nan 8.230 nan 0.000 0.432 402 S N -1.313 114.404 115.700 0.028 0.000 2.442 402 S HA -0.164 4.301 4.470 -0.008 0.000 0.236 402 S C 1.596 176.152 174.600 -0.073 0.000 1.007 402 S CA 0.961 59.138 58.200 -0.040 0.000 0.965 402 S CB -0.340 62.796 63.200 -0.107 0.000 0.773 402 S HN 0.381 nan 8.310 nan 0.000 0.504 403 Y N 1.324 121.661 120.300 0.063 0.000 2.578 403 Y HA 0.199 4.744 4.550 -0.010 0.000 0.297 403 Y C 1.802 177.794 175.900 0.152 0.000 1.176 403 Y CA 0.120 58.293 58.100 0.121 0.000 1.315 403 Y CB -0.281 38.283 38.460 0.173 0.000 1.031 403 Y HN 0.375 nan 8.280 nan 0.000 0.524 404 G N 0.282 109.211 108.800 0.214 0.000 2.160 404 G HA2 -0.285 3.670 3.960 -0.008 0.000 0.251 404 G HA3 -0.285 3.670 3.960 -0.008 0.000 0.251 404 G C -0.077 174.908 174.900 0.142 0.000 1.008 404 G CA 0.210 45.409 45.100 0.165 0.000 0.724 404 G HN 0.118 nan 8.290 nan 0.000 0.514 405 V N 1.637 121.631 119.914 0.133 0.000 2.521 405 V HA 0.288 4.403 4.120 -0.008 0.000 0.286 405 V C -1.026 175.084 176.094 0.026 0.000 1.034 405 V CA -1.050 61.283 62.300 0.055 0.000 1.045 405 V CB 0.918 32.756 31.823 0.025 0.000 0.974 405 V HN 0.185 nan 8.190 nan 0.000 0.480 406 P HA -0.009 nan 4.420 nan 0.000 0.265 406 P C 0.527 177.847 177.300 0.032 0.000 1.187 406 P CA 0.128 63.244 63.100 0.027 0.000 0.766 406 P CB 0.374 32.060 31.700 -0.023 0.000 0.820 407 F N 3.299 123.227 119.950 -0.038 0.000 2.095 407 F HA -0.251 4.271 4.527 -0.008 0.000 0.298 407 F C 2.023 177.792 175.800 -0.051 0.000 1.104 407 F CA 2.167 60.146 58.000 -0.036 0.000 1.232 407 F CB -0.141 38.843 39.000 -0.026 0.000 0.987 407 F HN 0.374 nan 8.300 nan 0.000 0.475 408 D N -0.321 120.192 120.400 0.187 0.000 2.178 408 D HA -0.157 4.478 4.640 -0.008 0.000 0.201 408 D C 2.138 178.387 176.300 -0.086 0.000 0.980 408 D CA 1.526 55.565 54.000 0.064 0.000 0.842 408 D CB -1.046 39.784 40.800 0.050 0.000 0.948 408 D HN 0.313 nan 8.370 nan 0.000 0.472 409 V N 1.441 121.263 119.914 -0.155 0.000 2.379 409 V HA -0.104 4.011 4.120 -0.008 0.000 0.245 409 V C 2.914 178.889 176.094 -0.197 0.000 1.044 409 V CA 1.591 63.745 62.300 -0.242 0.000 1.036 409 V CB -0.772 30.831 31.823 -0.368 0.000 0.664 409 V HN 0.367 nan 8.190 nan 0.000 0.453 410 A N -0.199 122.499 122.820 -0.204 0.000 2.019 410 A HA -0.210 4.106 4.320 -0.008 0.000 0.219 410 A C 2.335 179.762 177.584 -0.262 0.000 1.164 410 A CA 1.513 53.409 52.037 -0.234 0.000 0.644 410 A CB -0.494 18.339 19.000 -0.278 0.000 0.805 410 A HN 0.494 nan 8.150 nan 0.000 0.449 411 R N -0.534 119.800 120.500 -0.276 0.000 2.120 411 R HA -0.087 4.249 4.340 -0.008 0.000 0.234 411 R C 0.646 176.868 176.300 -0.131 0.000 1.123 411 R CA 1.431 57.415 56.100 -0.193 0.000 0.975 411 R CB -0.179 30.058 30.300 -0.105 0.000 0.866 411 R HN 0.454 nan 8.270 nan 0.000 0.446 412 N N -0.130 118.481 118.700 -0.148 0.000 2.230 412 N HA 0.108 4.843 4.740 -0.008 0.000 0.202 412 N C -0.578 174.807 175.510 -0.208 0.000 1.119 412 N CA 0.038 52.996 53.050 -0.154 0.000 0.851 412 N CB 0.788 39.193 38.487 -0.136 0.000 0.990 412 N HN 0.117 nan 8.380 nan 0.000 0.497 413 A N 0.712 123.409 122.820 -0.205 0.000 2.477 413 A HA 0.416 4.732 4.320 -0.008 0.000 0.246 413 A C -0.202 177.206 177.584 -0.292 0.000 1.078 413 A CA 0.154 52.042 52.037 -0.249 0.000 0.770 413 A CB -0.012 18.880 19.000 -0.180 0.000 1.011 413 A HN 0.254 nan 8.150 nan 0.000 0.494 414 L N 2.687 123.631 121.223 -0.466 0.000 2.386 414 L HA 0.553 4.888 4.340 -0.008 0.000 0.271 414 L C 0.425 177.085 176.870 -0.350 0.000 0.993 414 L CA -0.607 53.963 54.840 -0.451 0.000 0.819 414 L CB 1.817 43.471 42.059 -0.674 0.000 1.294 414 L HN 0.771 nan 8.230 nan 0.000 0.414 415 R N 3.179 123.577 120.500 -0.171 0.000 2.246 415 R HA 0.527 4.862 4.340 -0.008 0.000 0.332 415 R C -1.722 174.559 176.300 -0.031 0.000 0.974 415 R CA -0.759 55.298 56.100 -0.071 0.000 0.837 415 R CB 0.967 31.241 30.300 -0.044 0.000 1.145 415 R HN 0.442 nan 8.270 nan 0.000 0.467 416 L N 3.378 124.630 121.223 0.048 0.000 2.287 416 L HA 0.347 4.682 4.340 -0.008 0.000 0.287 416 L C -0.359 176.554 176.870 0.073 0.000 1.022 416 L CA -0.005 54.879 54.840 0.074 0.000 0.814 416 L CB 1.882 44.049 42.059 0.180 0.000 1.217 416 L HN 0.598 nan 8.230 nan 0.000 0.420 417 S N 2.576 118.310 115.700 0.057 0.000 2.519 417 S HA 0.815 5.280 4.470 -0.008 0.000 0.309 417 S C -0.236 174.498 174.600 0.223 0.000 1.100 417 S CA -0.887 57.379 58.200 0.110 0.000 1.059 417 S CB 1.560 64.818 63.200 0.096 0.000 1.008 417 S HN 0.412 nan 8.310 nan 0.000 0.478 418 V N 0.753 120.782 119.914 0.192 0.000 3.109 418 V HA 1.047 5.162 4.120 -0.008 0.000 0.317 418 V C 0.495 176.559 176.094 -0.050 0.000 1.074 418 V CA -0.058 62.358 62.300 0.194 0.000 1.033 418 V CB 0.947 32.828 31.823 0.096 0.000 1.111 418 V HN 1.128 nan 8.190 nan 0.000 0.458 419 G N 0.549 109.117 108.800 -0.387 0.000 3.135 419 G HA2 0.449 4.404 3.960 -0.008 0.000 0.278 419 G HA3 0.449 4.404 3.960 -0.008 0.000 0.278 419 G C 0.113 174.873 174.900 -0.233 0.000 1.302 419 G CA -0.757 43.851 45.100 -0.820 0.000 0.880 419 G HN 0.687 nan 8.290 nan 0.000 0.574 420 R N -0.387 119.974 120.500 -0.232 0.000 2.092 420 R HA -0.055 4.280 4.340 -0.008 0.000 0.231 420 R C 2.703 178.915 176.300 -0.146 0.000 1.119 420 R CA 1.857 57.841 56.100 -0.194 0.000 0.970 420 R CB -0.137 29.831 30.300 -0.553 0.000 0.864 420 R HN 0.470 nan 8.270 nan 0.000 0.440 421 S N -0.379 115.302 115.700 -0.031 0.000 2.528 421 S HA 0.016 4.481 4.470 -0.008 0.000 0.219 421 S C 0.686 175.384 174.600 0.164 0.000 0.985 421 S CA -0.169 58.057 58.200 0.044 0.000 0.914 421 S CB 0.107 63.376 63.200 0.115 0.000 0.776 421 S HN 0.002 nan 8.310 nan 0.000 0.526 422 T N 3.958 118.661 114.554 0.248 0.000 2.867 422 T HA 0.352 4.697 4.350 -0.008 0.000 0.297 422 T C 0.364 175.231 174.700 0.279 0.000 0.989 422 T CA 0.416 62.672 62.100 0.260 0.000 1.159 422 T CB 0.679 69.681 68.868 0.224 0.000 0.928 422 T HN 0.629 nan 8.240 nan 0.000 0.538 423 T N 0.907 115.576 114.554 0.192 0.000 2.945 423 T HA 0.438 4.783 4.350 -0.008 0.000 0.286 423 T C 1.316 176.075 174.700 0.098 0.000 1.025 423 T CA -1.247 60.942 62.100 0.147 0.000 1.039 423 T CB 1.599 70.530 68.868 0.105 0.000 1.068 423 T HN 0.492 nan 8.240 nan 0.000 0.497 424 R N 0.845 121.353 120.500 0.012 0.000 2.103 424 R HA -0.126 4.210 4.340 -0.008 0.000 0.242 424 R C 2.712 179.073 176.300 0.101 0.000 1.142 424 R CA 1.575 57.645 56.100 -0.050 0.000 0.960 424 R CB -1.019 28.989 30.300 -0.486 0.000 0.858 424 R HN 0.841 nan 8.270 nan 0.000 0.439 425 A N 1.230 124.084 122.820 0.057 0.000 1.948 425 A HA -0.243 4.072 4.320 -0.008 0.000 0.220 425 A C 1.917 179.565 177.584 0.107 0.000 1.177 425 A CA 1.666 53.752 52.037 0.082 0.000 0.636 425 A CB -0.360 18.672 19.000 0.054 0.000 0.815 425 A HN 0.377 nan 8.150 nan 0.000 0.449 426 E N -0.694 119.575 120.200 0.116 0.000 2.107 426 E HA -0.071 4.274 4.350 -0.008 0.000 0.191 426 E C 1.956 178.636 176.600 0.133 0.000 0.982 426 E CA 0.965 57.439 56.400 0.122 0.000 0.809 426 E CB -0.162 29.620 29.700 0.138 0.000 0.756 426 E HN 0.388 nan 8.360 nan 0.000 0.459 427 V N 2.069 122.083 119.914 0.167 0.000 2.392 427 V HA -0.264 3.851 4.120 -0.008 0.000 0.249 427 V C 1.649 177.820 176.094 0.130 0.000 1.059 427 V CA 1.890 64.292 62.300 0.170 0.000 1.051 427 V CB -0.403 31.586 31.823 0.277 0.000 0.658 427 V HN 0.239 nan 8.190 nan 0.000 0.455 428 D N 0.145 120.646 120.400 0.167 0.000 2.117 428 D HA -0.118 4.517 4.640 -0.008 0.000 0.197 428 D C 2.135 178.477 176.300 0.069 0.000 0.987 428 D CA 1.212 55.278 54.000 0.109 0.000 0.829 428 D CB -0.244 40.635 40.800 0.131 0.000 0.961 428 D HN 0.356 nan 8.370 nan 0.000 0.460 429 L N 0.400 121.670 121.223 0.078 0.000 2.131 429 L HA -0.125 4.210 4.340 -0.008 0.000 0.210 429 L C 2.518 179.429 176.870 0.068 0.000 1.092 429 L CA 0.455 55.335 54.840 0.066 0.000 0.759 429 L CB -0.275 41.826 42.059 0.070 0.000 0.903 429 L HN -0.073 nan 8.230 nan 0.000 0.435 430 V N -0.979 118.983 119.914 0.079 0.000 2.453 430 V HA -0.169 3.946 4.120 -0.008 0.000 0.247 430 V C 2.294 178.444 176.094 0.093 0.000 1.048 430 V CA 1.133 63.485 62.300 0.087 0.000 1.049 430 V CB 0.292 32.172 31.823 0.096 0.000 0.672 430 V HN 0.182 nan 8.190 nan 0.000 0.457 431 V N -0.797 119.159 119.914 0.070 0.000 2.548 431 V HA -0.187 3.928 4.120 -0.008 0.000 0.249 431 V C 2.390 178.516 176.094 0.053 0.000 1.055 431 V CA 1.434 63.779 62.300 0.075 0.000 1.065 431 V CB -0.419 31.401 31.823 -0.004 0.000 0.681 431 V HN 0.453 nan 8.190 nan 0.000 0.462 432 Q N -0.052 119.765 119.800 0.028 0.000 2.187 432 Q HA -0.141 4.194 4.340 -0.008 0.000 0.199 432 Q C 1.881 177.905 176.000 0.039 0.000 0.957 432 Q CA 1.568 57.375 55.803 0.008 0.000 0.857 432 Q CB -0.450 28.292 28.738 0.007 0.000 0.929 432 Q HN 0.671 nan 8.270 nan 0.000 0.453 433 D N -0.726 119.712 120.400 0.062 0.000 2.117 433 D HA -0.115 4.521 4.640 -0.008 0.000 0.197 433 D C 1.613 177.977 176.300 0.105 0.000 0.987 433 D CA 0.911 54.954 54.000 0.072 0.000 0.829 433 D CB -0.005 40.837 40.800 0.071 0.000 0.961 433 D HN 0.260 nan 8.370 nan 0.000 0.460 434 L N -0.009 121.310 121.223 0.160 0.000 2.141 434 L HA -0.071 4.264 4.340 -0.008 0.000 0.209 434 L C 2.541 179.623 176.870 0.353 0.000 1.094 434 L CA 0.844 55.831 54.840 0.246 0.000 0.763 434 L CB -0.326 41.934 42.059 0.334 0.000 0.908 434 L HN 0.022 nan 8.230 nan 0.000 0.437 435 K N 0.454 121.007 120.400 0.255 0.000 2.009 435 K HA -0.279 4.036 4.320 -0.008 0.000 0.210 435 K C 2.212 178.863 176.600 0.086 0.000 1.049 435 K CA 2.049 58.388 56.287 0.085 0.000 0.929 435 K CB -0.000 32.421 32.500 -0.131 0.000 0.714 435 K HN 0.348 nan 8.250 nan 0.000 0.440 436 Q N 0.210 120.047 119.800 0.062 0.000 2.124 436 Q HA -0.096 4.240 4.340 -0.008 0.000 0.202 436 Q C 1.797 177.835 176.000 0.063 0.000 0.977 436 Q CA 1.802 57.633 55.803 0.048 0.000 0.850 436 Q CB -0.596 28.162 28.738 0.034 0.000 0.901 436 Q HN 0.302 nan 8.270 nan 0.000 0.429 437 A N 1.366 124.235 122.820 0.081 0.000 1.877 437 A HA -0.118 4.198 4.320 -0.008 0.000 0.216 437 A C 2.411 180.033 177.584 0.063 0.000 1.186 437 A CA 2.252 54.327 52.037 0.063 0.000 0.620 437 A CB -1.199 17.837 19.000 0.061 0.000 0.822 437 A HN 0.643 nan 8.150 nan 0.000 0.443 438 V N -2.420 117.558 119.914 0.107 0.000 2.515 438 V HA -0.006 4.109 4.120 -0.008 0.000 0.250 438 V C 2.495 178.639 176.094 0.084 0.000 1.058 438 V CA 1.774 64.133 62.300 0.100 0.000 1.064 438 V CB -1.428 30.499 31.823 0.174 0.000 0.675 438 V HN 0.522 nan 8.190 nan 0.000 0.461 439 A N 1.749 124.620 122.820 0.086 0.000 1.902 439 A HA -0.252 4.063 4.320 -0.008 0.000 0.217 439 A C 2.345 179.950 177.584 0.036 0.000 1.181 439 A CA 2.129 54.199 52.037 0.055 0.000 0.623 439 A CB -0.695 18.330 19.000 0.041 0.000 0.818 439 A HN 0.834 nan 8.150 nan 0.000 0.443 440 Q N -0.369 119.451 119.800 0.032 0.000 2.167 440 Q HA -0.061 4.274 4.340 -0.008 0.000 0.202 440 Q C 1.916 177.925 176.000 0.015 0.000 0.970 440 Q CA 1.509 57.325 55.803 0.021 0.000 0.855 440 Q CB -0.524 28.224 28.738 0.018 0.000 0.911 440 Q HN 0.597 nan 8.270 nan 0.000 0.438 441 L N 0.692 121.924 121.223 0.014 0.000 2.156 441 L HA -0.099 4.236 4.340 -0.008 0.000 0.208 441 L C 2.201 179.075 176.870 0.007 0.000 1.095 441 L CA 1.200 56.041 54.840 0.002 0.000 0.770 441 L CB -0.196 41.857 42.059 -0.011 0.000 0.914 441 L HN 0.246 nan 8.230 nan 0.000 0.439 442 E N -0.436 119.775 120.200 0.018 0.000 2.158 442 E HA -0.201 4.144 4.350 -0.008 0.000 0.191 442 E C 1.433 178.043 176.600 0.016 0.000 0.982 442 E CA 0.825 57.237 56.400 0.020 0.000 0.823 442 E CB 0.032 29.751 29.700 0.032 0.000 0.766 442 E HN 0.315 nan 8.360 nan 0.000 0.468 443 D N 0.710 121.120 120.400 0.016 0.000 2.277 443 D HA -0.082 4.553 4.640 -0.008 0.000 0.208 443 D C 0.900 177.206 176.300 0.009 0.000 0.962 443 D CA 0.416 54.424 54.000 0.013 0.000 0.865 443 D CB 0.195 41.003 40.800 0.013 0.000 0.939 443 D HN 0.044 nan 8.370 nan 0.000 0.510 444 Q N 0.000 119.805 119.800 0.008 0.000 2.315 444 Q HA 0.000 4.335 4.340 -0.008 0.000 0.214 444 Q CA 0.000 55.806 55.803 0.006 0.000 1.022 444 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 444 Q HN 0.000 nan 8.270 nan 0.000 0.481