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 1n9a_1_B DATA FIRST_RESID 23 DATA SEQUENCE LYSLRPEHAR ERLQDDSVET VTSIEQAKVE EKIQEVFSSY KFNHLVPRLV DATA SEQUENCE LQREKHFHYL KRGLRQLTDA YECLDASRPW LCYWILHSLE LLDEPIPQIV DATA SEQUENCE ATDVCQFLEL CQSPDGGFGG GPGQYPHLAP TYAAVNALCI IGTEEAYNVI DATA SEQUENCE NREKLLQYLY SLKQPDGSFL MHVGGEVDVR SAYCAASVAS LTNIITPDLF DATA SEQUENCE EGTAEWIARC QNWEGGIGGV PGMEAHGGYT FCGLAALVIL KKERSLNLKS DATA SEQUENCE LLQWVTSRQM RFEGGFQGRC NKLVDGCYSF WQAGLLPLLH RALHAQGDPA DATA SEQUENCE LSMSHWMFHQ QALQEYILMC CQCPAGGLLD KPGKSRDFYH TCYCLSGLSI DATA SEQUENCE AQHFGSGAML HDVVMGVPEN VLQPTHPVYN IGPDKVIQAT THFLQKPVPG DATA SEQUENCE F 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 23 L HA 0.000 nan 4.340 nan 0.000 0.249 23 L C 0.000 176.767 176.870 -0.172 0.000 1.165 23 L CA 0.000 54.743 54.840 -0.161 0.000 0.813 23 L CB 0.000 41.904 42.059 -0.258 0.000 0.961 24 Y N 2.014 122.174 120.300 -0.233 0.000 2.102 24 Y HA -0.290 4.260 4.550 -0.000 0.000 0.280 24 Y C 2.111 177.737 175.900 -0.457 0.000 1.178 24 Y CA 2.573 60.526 58.100 -0.245 0.000 1.146 24 Y CB 0.134 38.480 38.460 -0.191 0.000 0.968 24 Y HN 0.649 nan 8.280 nan 0.000 0.504 25 S N 0.244 115.496 115.700 -0.747 0.000 2.368 25 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 25 S C 1.851 175.709 174.600 -1.237 0.000 1.029 25 S CA 1.460 58.786 58.200 -1.456 0.000 0.988 25 S CB -0.472 61.748 63.200 -1.633 0.000 0.838 25 S HN 0.477 nan 8.310 nan 0.000 0.462 26 L N 0.908 121.692 121.223 -0.732 0.000 2.610 26 L HA 0.112 4.452 4.340 -0.000 0.000 0.232 26 L C 0.885 177.594 176.870 -0.268 0.000 1.149 26 L CA 0.178 54.766 54.840 -0.420 0.000 0.872 26 L CB -0.401 41.492 42.059 -0.277 0.000 0.992 26 L HN 0.101 nan 8.230 nan 0.000 0.447 27 R N 0.728 121.038 120.500 -0.316 0.000 2.738 27 R HA 0.045 4.385 4.340 -0.000 0.000 0.268 27 R C -1.333 174.905 176.300 -0.103 0.000 1.062 27 R CA -1.208 54.783 56.100 -0.182 0.000 1.158 27 R CB 0.108 30.293 30.300 -0.193 0.000 1.046 27 R HN -0.155 nan 8.270 nan 0.000 0.493 28 P HA -0.117 nan 4.420 nan 0.000 0.224 28 P C 0.508 177.811 177.300 0.005 0.000 1.157 28 P CA 0.880 63.980 63.100 0.000 0.000 0.799 28 P CB 0.249 31.953 31.700 0.006 0.000 0.809 29 E N -0.860 119.330 120.200 -0.018 0.000 2.299 29 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 29 E C 1.748 178.327 176.600 -0.036 0.000 0.998 29 E CA 0.786 57.176 56.400 -0.016 0.000 0.851 29 E CB -1.348 28.343 29.700 -0.015 0.000 0.795 29 E HN 0.429 nan 8.360 nan 0.000 0.492 30 H N 1.654 120.605 119.070 -0.199 0.000 2.489 30 H HA 0.103 4.659 4.556 -0.000 0.000 0.293 30 H C 1.509 176.756 175.328 -0.136 0.000 1.066 30 H CA 1.298 57.164 56.048 -0.302 0.000 1.305 30 H CB 0.160 29.589 29.762 -0.555 0.000 1.386 30 H HN 0.223 nan 8.280 nan 0.000 0.551 31 A N 0.908 123.739 122.820 0.018 0.000 2.209 31 A HA -0.061 4.258 4.320 -0.000 0.000 0.212 31 A C 2.345 179.991 177.584 0.104 0.000 1.158 31 A CA 0.515 52.642 52.037 0.150 0.000 0.742 31 A CB -0.371 18.728 19.000 0.165 0.000 0.790 31 A HN 0.412 nan 8.150 nan 0.000 0.472 32 R N -0.255 120.253 120.500 0.014 0.000 2.297 32 R HA 0.077 4.417 4.340 -0.000 0.000 0.197 32 R C 0.730 177.033 176.300 0.005 0.000 0.943 32 R CA 0.387 56.494 56.100 0.013 0.000 1.038 32 R CB 0.153 30.453 30.300 -0.001 0.000 0.957 32 R HN 0.339 nan 8.270 nan 0.000 0.484 33 E N 0.970 121.152 120.200 -0.029 0.000 2.494 33 E HA -0.014 4.336 4.350 -0.000 0.000 0.193 33 E C 0.108 176.802 176.600 0.157 0.000 1.074 33 E CA 0.065 56.459 56.400 -0.009 0.000 0.867 33 E CB 0.063 29.631 29.700 -0.220 0.000 0.924 33 E HN 0.050 nan 8.360 nan 0.000 0.502 34 R N 0.980 121.574 120.500 0.155 0.000 2.784 34 R HA 0.049 4.389 4.340 -0.000 0.000 0.266 34 R C -0.063 176.182 176.300 -0.093 0.000 1.044 34 R CA -0.389 55.664 56.100 -0.078 0.000 1.151 34 R CB 0.173 30.410 30.300 -0.104 0.000 1.037 34 R HN -0.015 nan 8.270 nan 0.000 0.478 35 L N 3.243 124.367 121.223 -0.165 0.000 2.513 35 L HA 0.062 4.402 4.340 -0.000 0.000 0.272 35 L C -0.642 176.187 176.870 -0.068 0.000 1.187 35 L CA 0.859 55.638 54.840 -0.102 0.000 0.895 35 L CB 0.617 42.605 42.059 -0.119 0.000 1.147 35 L HN 0.514 nan 8.230 nan 0.000 0.483 36 Q N 4.192 123.967 119.800 -0.042 0.000 2.406 36 Q HA 0.060 4.400 4.340 -0.000 0.000 0.242 36 Q C 0.150 176.134 176.000 -0.027 0.000 1.036 36 Q CA -0.120 55.665 55.803 -0.029 0.000 0.904 36 Q CB 1.063 29.791 28.738 -0.016 0.000 1.244 36 Q HN 0.759 nan 8.270 nan 0.000 0.478 37 D N 2.748 123.130 120.400 -0.030 0.000 2.269 37 D HA -0.152 4.488 4.640 -0.000 0.000 0.208 37 D C -0.161 176.130 176.300 -0.016 0.000 0.963 37 D CA 0.790 54.775 54.000 -0.025 0.000 0.864 37 D CB 0.413 41.195 40.800 -0.029 0.000 0.936 37 D HN 0.480 nan 8.370 nan 0.000 0.505 38 D N -1.493 118.899 120.400 -0.013 0.000 3.028 38 D HA -0.218 4.422 4.640 -0.000 0.000 0.207 38 D C 0.427 176.723 176.300 -0.007 0.000 1.100 38 D CA 1.085 55.081 54.000 -0.007 0.000 0.995 38 D CB -1.491 39.306 40.800 -0.004 0.000 1.108 38 D HN 0.273 nan 8.370 nan 0.000 0.421 39 S N -2.821 112.873 115.700 -0.010 0.000 2.981 39 S HA -0.244 4.226 4.470 -0.000 0.000 0.274 39 S C 0.425 175.020 174.600 -0.008 0.000 1.297 39 S CA 1.061 59.255 58.200 -0.009 0.000 1.266 39 S CB -0.813 62.383 63.200 -0.007 0.000 1.542 39 S HN 0.335 nan 8.310 nan 0.000 0.674 40 V N 3.336 123.246 119.914 -0.007 0.000 2.240 40 V HA 0.233 4.353 4.120 -0.000 0.000 0.265 40 V C 0.487 176.577 176.094 -0.007 0.000 1.073 40 V CA -0.419 61.878 62.300 -0.005 0.000 0.857 40 V CB 0.474 32.295 31.823 -0.002 0.000 1.114 40 V HN 0.483 nan 8.190 nan 0.000 0.469 41 E N 2.735 122.930 120.200 -0.008 0.000 2.259 41 E HA 0.557 4.907 4.350 -0.000 0.000 0.281 41 E C -0.052 176.544 176.600 -0.007 0.000 1.027 41 E CA -0.501 55.893 56.400 -0.011 0.000 0.838 41 E CB 1.468 31.160 29.700 -0.014 0.000 1.066 41 E HN 0.555 nan 8.360 nan 0.000 0.401 42 T N -1.318 113.232 114.554 -0.007 0.000 2.888 42 T HA 0.213 4.563 4.350 -0.000 0.000 0.288 42 T C 1.136 175.834 174.700 -0.004 0.000 1.063 42 T CA -0.727 61.371 62.100 -0.002 0.000 1.010 42 T CB 1.129 69.999 68.868 0.002 0.000 1.214 42 T HN 0.207 nan 8.240 nan 0.000 0.533 43 V N 1.076 120.989 119.914 -0.000 0.000 2.527 43 V HA -0.196 3.924 4.120 -0.000 0.000 0.255 43 V C 2.752 178.845 176.094 -0.003 0.000 1.081 43 V CA 2.569 64.869 62.300 -0.001 0.000 1.092 43 V CB -1.629 30.197 31.823 0.005 0.000 0.673 43 V HN 1.077 nan 8.190 nan 0.000 0.470 44 T N -0.289 114.264 114.554 -0.001 0.000 2.851 44 T HA -0.116 4.234 4.350 -0.000 0.000 0.262 44 T C 2.116 176.807 174.700 -0.015 0.000 1.043 44 T CA 1.506 63.604 62.100 -0.004 0.000 1.140 44 T CB -0.233 68.636 68.868 0.002 0.000 0.872 44 T HN 0.603 nan 8.240 nan 0.000 0.446 45 S N 2.025 117.714 115.700 -0.017 0.000 2.351 45 S HA -0.081 4.389 4.470 -0.000 0.000 0.220 45 S C 2.060 176.639 174.600 -0.035 0.000 1.035 45 S CA 1.119 59.302 58.200 -0.028 0.000 1.031 45 S CB -0.681 62.504 63.200 -0.025 0.000 0.928 45 S HN 0.388 nan 8.310 nan 0.000 0.433 46 I N 1.959 122.512 120.570 -0.027 0.000 2.091 46 I HA -0.270 3.900 4.170 -0.000 0.000 0.240 46 I C 2.768 178.865 176.117 -0.033 0.000 1.046 46 I CA 1.530 62.812 61.300 -0.029 0.000 1.306 46 I CB -0.492 37.496 38.000 -0.020 0.000 1.018 46 I HN 0.219 nan 8.210 nan 0.000 0.404 47 E N 0.201 120.386 120.200 -0.026 0.000 2.077 47 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 47 E C 2.001 178.580 176.600 -0.036 0.000 0.989 47 E CA 1.289 57.675 56.400 -0.025 0.000 0.800 47 E CB -0.420 29.272 29.700 -0.013 0.000 0.746 47 E HN 0.459 nan 8.360 nan 0.000 0.452 48 Q N 0.949 120.724 119.800 -0.042 0.000 2.050 48 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 48 Q C 2.001 177.949 176.000 -0.086 0.000 0.980 48 Q CA 2.135 57.904 55.803 -0.057 0.000 0.840 48 Q CB -0.588 28.115 28.738 -0.058 0.000 0.898 48 Q HN 0.199 nan 8.270 nan 0.000 0.424 49 A N 0.402 123.168 122.820 -0.090 0.000 2.024 49 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 49 A C 1.967 179.487 177.584 -0.108 0.000 1.164 49 A CA 1.720 53.687 52.037 -0.116 0.000 0.643 49 A CB -0.451 18.494 19.000 -0.092 0.000 0.806 49 A HN 0.419 nan 8.150 nan 0.000 0.451 50 K N -0.583 119.772 120.400 -0.075 0.000 2.025 50 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 50 K C 1.891 178.451 176.600 -0.067 0.000 1.049 50 K CA 1.348 57.597 56.287 -0.063 0.000 0.933 50 K CB -0.324 32.150 32.500 -0.043 0.000 0.714 50 K HN 0.317 nan 8.250 nan 0.000 0.438 51 V N 1.973 121.851 119.914 -0.060 0.000 2.295 51 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 51 V C 1.999 178.051 176.094 -0.070 0.000 1.049 51 V CA 1.733 64.007 62.300 -0.044 0.000 1.024 51 V CB -0.474 31.338 31.823 -0.017 0.000 0.648 51 V HN 0.329 nan 8.190 nan 0.000 0.447 52 E N -0.344 119.778 120.200 -0.130 0.000 2.097 52 E HA -0.256 4.093 4.350 -0.000 0.000 0.196 52 E C 2.349 178.826 176.600 -0.205 0.000 1.000 52 E CA 1.353 57.602 56.400 -0.253 0.000 0.804 52 E CB -0.127 29.273 29.700 -0.500 0.000 0.740 52 E HN 0.530 nan 8.360 nan 0.000 0.454 53 E N 0.852 120.960 120.200 -0.154 0.000 2.047 53 E HA -0.145 4.204 4.350 -0.000 0.000 0.191 53 E C 1.900 178.449 176.600 -0.084 0.000 0.987 53 E CA 0.993 57.332 56.400 -0.102 0.000 0.799 53 E CB -0.016 29.636 29.700 -0.080 0.000 0.752 53 E HN 0.248 nan 8.360 nan 0.000 0.449 54 K N 0.334 120.683 120.400 -0.084 0.000 2.147 54 K HA -0.086 4.233 4.320 -0.000 0.000 0.205 54 K C 2.064 178.587 176.600 -0.129 0.000 1.049 54 K CA 0.845 57.077 56.287 -0.091 0.000 0.936 54 K CB 0.059 32.516 32.500 -0.073 0.000 0.722 54 K HN 0.101 nan 8.250 nan 0.000 0.446 55 I N 1.171 121.662 120.570 -0.133 0.000 2.333 55 I HA -0.160 4.010 4.170 -0.000 0.000 0.246 55 I C 2.517 178.411 176.117 -0.372 0.000 1.106 55 I CA 1.184 62.320 61.300 -0.274 0.000 1.411 55 I CB -0.978 36.912 38.000 -0.184 0.000 1.082 55 I HN 0.165 nan 8.210 nan 0.000 0.420 56 Q N 1.795 121.555 119.800 -0.067 0.000 2.045 56 Q HA -0.243 4.097 4.340 -0.000 0.000 0.206 56 Q C 2.020 178.006 176.000 -0.024 0.000 0.991 56 Q CA 2.045 57.916 55.803 0.114 0.000 0.851 56 Q CB -0.277 28.564 28.738 0.170 0.000 0.911 56 Q HN 0.481 nan 8.270 nan 0.000 0.418 57 E N -0.954 119.176 120.200 -0.116 0.000 2.068 57 E HA -0.249 4.101 4.350 -0.000 0.000 0.207 57 E C 1.976 178.433 176.600 -0.239 0.000 1.032 57 E CA 1.954 58.220 56.400 -0.223 0.000 0.839 57 E CB -0.370 29.212 29.700 -0.197 0.000 0.758 57 E HN 0.235 nan 8.360 nan 0.000 0.457 58 V N 0.977 120.766 119.914 -0.208 0.000 2.282 58 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 58 V C 2.053 178.152 176.094 0.008 0.000 1.057 58 V CA 1.944 64.143 62.300 -0.169 0.000 1.032 58 V CB -0.683 31.029 31.823 -0.184 0.000 0.645 58 V HN 0.289 nan 8.190 nan 0.000 0.447 59 F N 0.508 120.438 119.950 -0.034 0.000 2.026 59 F HA -0.214 4.313 4.527 -0.000 0.000 0.296 59 F C 2.618 178.441 175.800 0.039 0.000 1.133 59 F CA 1.410 59.432 58.000 0.037 0.000 1.188 59 F CB -0.467 38.536 39.000 0.005 0.000 0.968 59 F HN 0.102 nan 8.300 nan 0.000 0.476 60 S N -0.237 115.539 115.700 0.126 0.000 2.584 60 S HA -0.166 4.304 4.470 -0.000 0.000 0.240 60 S C 1.898 176.335 174.600 -0.271 0.000 0.975 60 S CA 0.725 58.904 58.200 -0.034 0.000 0.949 60 S CB -0.389 62.705 63.200 -0.176 0.000 0.761 60 S HN 0.348 nan 8.310 nan 0.000 0.536 61 S N 1.216 116.692 115.700 -0.374 0.000 2.381 61 S HA -0.252 4.218 4.470 -0.000 0.000 0.230 61 S C 1.537 175.829 174.600 -0.513 0.000 1.052 61 S CA 1.732 59.587 58.200 -0.575 0.000 1.068 61 S CB -0.471 62.268 63.200 -0.769 0.000 0.918 61 S HN 0.668 nan 8.310 nan 0.000 0.448 62 Y N 1.717 121.990 120.300 -0.044 0.000 2.089 62 Y HA -0.071 4.479 4.550 -0.000 0.000 0.282 62 Y C 2.583 178.482 175.900 -0.000 0.000 1.139 62 Y CA 1.653 59.743 58.100 -0.016 0.000 1.123 62 Y CB -0.652 37.803 38.460 -0.008 0.000 0.980 62 Y HN 0.220 nan 8.280 nan 0.000 0.493 63 K N -0.304 120.226 120.400 0.217 0.000 2.015 63 K HA -0.229 4.091 4.320 -0.000 0.000 0.216 63 K C 1.820 178.466 176.600 0.078 0.000 1.052 63 K CA 2.228 58.634 56.287 0.197 0.000 0.937 63 K CB -0.743 31.937 32.500 0.300 0.000 0.719 63 K HN 0.147 nan 8.250 nan 0.000 0.446 64 F N 1.674 121.506 119.950 -0.196 0.000 2.161 64 F HA -0.166 4.361 4.527 -0.000 0.000 0.300 64 F C 1.963 177.444 175.800 -0.531 0.000 1.089 64 F CA 1.071 58.904 58.000 -0.277 0.000 1.282 64 F CB -0.590 38.322 39.000 -0.146 0.000 1.010 64 F HN 0.137 nan 8.300 nan 0.000 0.485 65 N N -1.266 117.303 118.700 -0.218 0.000 2.373 65 N HA -0.050 4.690 4.740 -0.000 0.000 0.181 65 N C -0.453 174.949 175.510 -0.181 0.000 1.082 65 N CA 0.496 53.424 53.050 -0.204 0.000 0.885 65 N CB -0.327 38.118 38.487 -0.070 0.000 0.977 65 N HN 0.425 nan 8.380 nan 0.000 0.462 66 H N -0.662 118.470 119.070 0.102 0.000 2.882 66 H HA -0.102 4.454 4.556 -0.000 0.000 0.314 66 H C -0.742 174.631 175.328 0.075 0.000 1.270 66 H CA 0.256 56.353 56.048 0.080 0.000 1.165 66 H CB -1.973 27.821 29.762 0.053 0.000 1.436 66 H HN 0.162 nan 8.280 nan 0.000 0.431 67 L N -0.553 120.761 121.223 0.151 0.000 2.283 67 L HA 0.692 5.032 4.340 -0.000 0.000 0.259 67 L C 0.181 177.132 176.870 0.136 0.000 1.027 67 L CA -1.671 53.248 54.840 0.132 0.000 0.828 67 L CB 1.927 44.061 42.059 0.125 0.000 1.380 67 L HN -0.033 nan 8.230 nan 0.000 0.425 68 V N -0.038 119.932 119.914 0.093 0.000 2.509 68 V HA 0.309 4.429 4.120 -0.000 0.000 0.284 68 V C -2.204 173.902 176.094 0.020 0.000 1.047 68 V CA -1.689 60.637 62.300 0.043 0.000 0.952 68 V CB 0.509 32.342 31.823 0.016 0.000 0.988 68 V HN 0.582 nan 8.190 nan 0.000 0.469 69 P HA 0.343 nan 4.420 nan 0.000 0.267 69 P C -0.455 176.732 177.300 -0.188 0.000 1.209 69 P CA -0.077 62.798 63.100 -0.375 0.000 0.763 69 P CB 0.336 31.528 31.700 -0.847 0.000 0.816 70 R N 3.031 123.488 120.500 -0.071 0.000 2.487 70 R HA 0.287 4.627 4.340 -0.000 0.000 0.288 70 R C -0.989 175.312 176.300 0.002 0.000 1.394 70 R CA -0.875 55.208 56.100 -0.028 0.000 1.155 70 R CB 0.393 30.699 30.300 0.009 0.000 1.156 70 R HN 0.342 nan 8.270 nan 0.000 0.553 71 L N 3.720 124.926 121.223 -0.028 0.000 2.500 71 L HA 0.174 4.514 4.340 -0.000 0.000 0.272 71 L C -0.384 176.495 176.870 0.015 0.000 1.149 71 L CA 0.626 55.469 54.840 0.005 0.000 0.897 71 L CB 1.089 43.140 42.059 -0.014 0.000 1.178 71 L HN 0.211 nan 8.230 nan 0.000 0.473 72 V N 4.358 124.289 119.914 0.029 0.000 2.841 72 V HA 0.371 4.491 4.120 -0.000 0.000 0.310 72 V C -0.626 175.483 176.094 0.025 0.000 1.090 72 V CA -0.873 61.439 62.300 0.020 0.000 0.930 72 V CB 2.242 34.072 31.823 0.011 0.000 1.014 72 V HN 0.445 nan 8.190 nan 0.000 0.425 73 L N 4.243 125.481 121.223 0.026 0.000 2.268 73 L HA 0.439 4.779 4.340 -0.000 0.000 0.289 73 L C 0.802 177.642 176.870 -0.050 0.000 1.064 73 L CA 0.223 55.090 54.840 0.045 0.000 0.824 73 L CB 1.032 43.142 42.059 0.086 0.000 1.202 73 L HN 0.649 nan 8.230 nan 0.000 0.433 74 Q N 4.529 124.215 119.800 -0.190 0.000 2.434 74 Q HA -0.118 4.222 4.340 -0.000 0.000 0.163 74 Q C 1.284 176.963 176.000 -0.535 0.000 0.954 74 Q CA 0.320 55.897 55.803 -0.378 0.000 0.985 74 Q CB -0.699 27.762 28.738 -0.461 0.000 1.631 74 Q HN 0.700 nan 8.270 nan 0.000 0.390 75 R N 0.727 121.112 120.500 -0.190 0.000 2.117 75 R HA -0.188 4.152 4.340 -0.000 0.000 0.243 75 R C 1.208 177.486 176.300 -0.038 0.000 1.143 75 R CA 1.207 57.278 56.100 -0.048 0.000 0.968 75 R CB 0.432 30.726 30.300 -0.011 0.000 0.863 75 R HN 0.236 nan 8.270 nan 0.000 0.444 76 E N 0.407 120.573 120.200 -0.056 0.000 2.072 76 E HA -0.137 4.213 4.350 -0.000 0.000 0.190 76 E C 1.860 178.431 176.600 -0.048 0.000 0.982 76 E CA 1.005 57.377 56.400 -0.047 0.000 0.803 76 E CB -0.046 29.742 29.700 0.146 0.000 0.755 76 E HN 0.073 nan 8.360 nan 0.000 0.453 77 K N 0.188 120.619 120.400 0.052 0.000 2.097 77 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 77 K C 1.979 178.682 176.600 0.171 0.000 1.049 77 K CA 1.163 57.532 56.287 0.137 0.000 0.933 77 K CB -0.293 32.201 32.500 -0.009 0.000 0.717 77 K HN 0.180 nan 8.250 nan 0.000 0.442 78 H N -1.454 117.684 119.070 0.112 0.000 2.389 78 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 78 H C 1.770 177.193 175.328 0.159 0.000 1.081 78 H CA 1.279 57.424 56.048 0.163 0.000 1.345 78 H CB -0.529 29.307 29.762 0.123 0.000 1.393 78 H HN 0.195 nan 8.280 nan 0.000 0.520 79 F N 1.510 121.461 119.950 0.002 0.000 2.186 79 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 79 F C 2.059 177.790 175.800 -0.116 0.000 1.090 79 F CA 1.477 59.395 58.000 -0.136 0.000 1.307 79 F CB -0.402 38.402 39.000 -0.326 0.000 1.019 79 F HN 0.187 nan 8.300 nan 0.000 0.489 80 H N -2.626 116.416 119.070 -0.047 0.000 2.462 80 H HA -0.107 4.449 4.556 -0.000 0.000 0.292 80 H C 1.741 177.049 175.328 -0.034 0.000 1.049 80 H CA 1.491 57.442 56.048 -0.161 0.000 1.334 80 H CB -0.393 29.385 29.762 0.027 0.000 1.404 80 H HN 0.408 nan 8.280 nan 0.000 0.544 81 Y N 1.556 121.882 120.300 0.043 0.000 2.153 81 Y HA -0.145 4.405 4.550 -0.000 0.000 0.289 81 Y C 1.929 177.883 175.900 0.091 0.000 1.127 81 Y CA 1.184 59.347 58.100 0.105 0.000 1.131 81 Y CB -0.625 37.932 38.460 0.162 0.000 0.995 81 Y HN 0.057 nan 8.280 nan 0.000 0.505 82 L N 0.685 121.870 121.223 -0.064 0.000 2.012 82 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 82 L C 2.646 179.316 176.870 -0.333 0.000 1.073 82 L CA 2.138 56.815 54.840 -0.271 0.000 0.748 82 L CB -0.772 41.204 42.059 -0.138 0.000 0.891 82 L HN 0.155 nan 8.230 nan 0.000 0.431 83 K N -0.021 120.139 120.400 -0.399 0.000 2.160 83 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 83 K C 2.365 178.803 176.600 -0.270 0.000 1.047 83 K CA 1.272 57.298 56.287 -0.436 0.000 0.930 83 K CB 0.064 32.079 32.500 -0.807 0.000 0.720 83 K HN 0.184 nan 8.250 nan 0.000 0.450 84 R N -0.572 119.810 120.500 -0.197 0.000 2.075 84 R HA -0.012 4.328 4.340 -0.000 0.000 0.226 84 R C 2.390 178.592 176.300 -0.163 0.000 1.114 84 R CA 1.284 57.314 56.100 -0.117 0.000 0.972 84 R CB -0.546 29.750 30.300 -0.007 0.000 0.869 84 R HN 0.381 nan 8.270 nan 0.000 0.437 85 G N 1.021 109.665 108.800 -0.260 0.000 2.471 85 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 85 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 85 G C 1.335 175.936 174.900 -0.497 0.000 1.125 85 G CA 0.088 44.923 45.100 -0.442 0.000 0.775 85 G HN 0.188 nan 8.290 nan 0.000 0.548 86 L N -0.019 120.960 121.223 -0.406 0.000 2.376 86 L HA 0.292 4.632 4.340 -0.000 0.000 0.219 86 L C 2.400 179.117 176.870 -0.255 0.000 1.133 86 L CA 1.260 55.903 54.840 -0.329 0.000 0.816 86 L CB -0.055 41.851 42.059 -0.256 0.000 0.933 86 L HN 0.174 nan 8.230 nan 0.000 0.449 87 R N 0.171 120.539 120.500 -0.220 0.000 2.123 87 R HA 0.208 4.548 4.340 -0.000 0.000 0.209 87 R C -0.169 176.034 176.300 -0.161 0.000 1.078 87 R CA 0.971 56.969 56.100 -0.171 0.000 1.028 87 R CB 0.203 30.427 30.300 -0.127 0.000 0.939 87 R HN 0.620 nan 8.270 nan 0.000 0.463 88 Q N -0.573 119.139 119.800 -0.147 0.000 2.594 88 Q HA 0.369 4.709 4.340 -0.000 0.000 0.278 88 Q C -1.750 174.209 176.000 -0.068 0.000 0.961 88 Q CA -0.840 54.900 55.803 -0.105 0.000 0.844 88 Q CB 1.154 29.854 28.738 -0.063 0.000 1.475 88 Q HN 0.065 nan 8.270 nan 0.000 0.389 89 L N 1.254 122.460 121.223 -0.028 0.000 2.354 89 L HA 0.666 5.006 4.340 -0.000 0.000 0.264 89 L C 0.417 177.372 176.870 0.142 0.000 1.008 89 L CA -0.907 53.970 54.840 0.062 0.000 0.819 89 L CB 2.285 44.337 42.059 -0.011 0.000 1.339 89 L HN 0.960 nan 8.230 nan 0.000 0.420 90 T N -3.618 111.068 114.554 0.221 0.000 2.726 90 T HA 0.058 4.408 4.350 -0.000 0.000 0.294 90 T C 0.688 175.499 174.700 0.185 0.000 1.013 90 T CA -0.149 62.055 62.100 0.173 0.000 0.996 90 T CB 0.530 69.496 68.868 0.163 0.000 1.016 90 T HN 0.740 nan 8.240 nan 0.000 0.529 91 D N -0.345 120.126 120.400 0.119 0.000 2.392 91 D HA 0.042 4.682 4.640 -0.000 0.000 0.228 91 D C 1.802 178.153 176.300 0.086 0.000 1.003 91 D CA 0.769 54.828 54.000 0.098 0.000 0.917 91 D CB -0.627 40.210 40.800 0.063 0.000 0.890 91 D HN 0.661 nan 8.370 nan 0.000 0.532 92 A N -0.550 122.321 122.820 0.086 0.000 2.168 92 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 92 A C 1.034 178.544 177.584 -0.124 0.000 1.152 92 A CA 0.395 52.421 52.037 -0.018 0.000 0.716 92 A CB -0.754 18.223 19.000 -0.037 0.000 0.794 92 A HN 0.355 nan 8.150 nan 0.000 0.465 93 Y N -0.092 120.265 120.300 0.095 0.000 2.625 93 Y HA 0.170 4.720 4.550 0.000 0.000 0.285 93 Y C 1.698 177.659 175.900 0.102 0.000 1.168 93 Y CA -0.076 58.097 58.100 0.123 0.000 1.250 93 Y CB 0.137 38.699 38.460 0.169 0.000 1.130 93 Y HN 0.434 nan 8.280 nan 0.000 0.526 94 E N -0.582 119.700 120.200 0.137 0.000 2.208 94 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 94 E C 1.989 178.644 176.600 0.093 0.000 0.988 94 E CA 1.252 57.717 56.400 0.108 0.000 0.828 94 E CB -0.095 29.646 29.700 0.068 0.000 0.763 94 E HN 0.638 nan 8.360 nan 0.000 0.478 95 C N -0.649 118.692 119.300 0.068 0.000 2.522 95 C HA 0.153 4.613 4.460 -0.000 0.000 0.271 95 C C 1.618 176.666 174.990 0.097 0.000 1.425 95 C CA -0.245 58.804 59.018 0.053 0.000 1.751 95 C CB -0.860 26.884 27.740 0.005 0.000 1.775 95 C HN 0.214 nan 8.230 nan 0.000 0.557 96 L N 0.886 122.214 121.223 0.176 0.000 3.110 96 L HA 0.236 4.576 4.340 -0.000 0.000 0.266 96 L C 1.408 178.409 176.870 0.218 0.000 1.257 96 L CA 0.154 55.138 54.840 0.240 0.000 1.038 96 L CB -0.175 42.139 42.059 0.426 0.000 1.395 96 L HN 0.159 nan 8.230 nan 0.000 0.566 97 D N 1.122 121.618 120.400 0.160 0.000 2.350 97 D HA -0.099 4.541 4.640 -0.000 0.000 0.216 97 D C 1.582 177.950 176.300 0.113 0.000 0.968 97 D CA 0.986 55.067 54.000 0.134 0.000 0.894 97 D CB 0.539 41.399 40.800 0.100 0.000 0.909 97 D HN 0.297 nan 8.370 nan 0.000 0.520 98 A N -0.920 121.960 122.820 0.099 0.000 2.503 98 A HA 0.361 4.681 4.320 -0.000 0.000 0.263 98 A C 0.809 178.451 177.584 0.097 0.000 1.258 98 A CA -0.322 51.754 52.037 0.065 0.000 0.936 98 A CB 0.512 19.520 19.000 0.015 0.000 1.070 98 A HN 0.043 nan 8.150 nan 0.000 0.522 99 S N -0.430 115.369 115.700 0.165 0.000 2.835 99 S HA 0.195 4.665 4.470 -0.000 0.000 0.248 99 S C 1.107 175.844 174.600 0.228 0.000 1.070 99 S CA -0.510 57.849 58.200 0.265 0.000 1.090 99 S CB 0.083 63.440 63.200 0.262 0.000 0.978 99 S HN 0.561 nan 8.310 nan 0.000 0.510 100 R N 1.836 122.445 120.500 0.183 0.000 2.092 100 R HA -0.016 4.324 4.340 -0.000 0.000 0.231 100 R C -1.104 175.270 176.300 0.123 0.000 1.119 100 R CA 1.176 57.393 56.100 0.195 0.000 0.970 100 R CB -1.310 29.191 30.300 0.335 0.000 0.864 100 R HN 0.281 nan 8.270 nan 0.000 0.440 101 P HA -0.148 nan 4.420 nan 0.000 0.222 101 P C 0.301 177.451 177.300 -0.251 0.000 1.147 101 P CA 1.006 64.014 63.100 -0.153 0.000 0.790 101 P CB -0.057 31.456 31.700 -0.312 0.000 0.780 102 W N -0.716 120.394 121.300 -0.317 0.000 2.409 102 W HA -0.024 4.636 4.660 0.000 0.000 0.299 102 W C 2.052 178.025 176.519 -0.910 0.000 1.203 102 W CA 0.416 57.321 57.345 -0.734 0.000 1.298 102 W CB -0.803 28.073 29.460 -0.974 0.000 1.127 102 W HN -0.144 nan 8.180 nan 0.000 0.528 103 L N -0.920 120.173 121.223 -0.216 0.000 2.083 103 L HA -0.264 4.076 4.340 -0.000 0.000 0.209 103 L C 2.307 179.116 176.870 -0.103 0.000 1.083 103 L CA 0.972 55.794 54.840 -0.029 0.000 0.752 103 L CB -0.954 41.110 42.059 0.008 0.000 0.899 103 L HN 0.074 nan 8.230 nan 0.000 0.433 104 C N -1.377 117.863 119.300 -0.100 0.000 2.432 104 C HA -0.222 4.238 4.460 -0.000 0.000 0.277 104 C C 2.720 177.665 174.990 -0.076 0.000 1.249 104 C CA 0.505 59.467 59.018 -0.093 0.000 1.725 104 C CB -0.861 26.849 27.740 -0.049 0.000 2.028 104 C HN 0.550 nan 8.230 nan 0.000 0.477 105 Y N 0.869 121.040 120.300 -0.214 0.000 2.097 105 Y HA -0.199 4.351 4.550 -0.000 0.000 0.282 105 Y C 2.367 178.285 175.900 0.030 0.000 1.152 105 Y CA 1.523 59.517 58.100 -0.176 0.000 1.136 105 Y CB -0.671 37.599 38.460 -0.317 0.000 0.975 105 Y HN 0.378 nan 8.280 nan 0.000 0.498 106 W N 0.494 121.707 121.300 -0.146 0.000 2.335 106 W HA -0.227 4.433 4.660 0.000 0.000 0.311 106 W C 2.481 178.837 176.519 -0.273 0.000 1.213 106 W CA 1.442 58.628 57.345 -0.265 0.000 1.274 106 W CB -1.322 28.176 29.460 0.063 0.000 1.148 106 W HN 0.207 nan 8.180 nan 0.000 0.498 107 I N -0.439 120.117 120.570 -0.023 0.000 2.163 107 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 107 I C 2.149 178.182 176.117 -0.140 0.000 1.081 107 I CA 0.947 62.148 61.300 -0.166 0.000 1.353 107 I CB -0.837 36.955 38.000 -0.347 0.000 1.054 107 I HN -0.221 nan 8.210 nan 0.000 0.407 108 L N 0.099 121.245 121.223 -0.128 0.000 2.633 108 L HA -0.193 4.147 4.340 -0.000 0.000 0.235 108 L C 2.003 178.836 176.870 -0.061 0.000 1.163 108 L CA 1.614 56.401 54.840 -0.087 0.000 0.859 108 L CB -1.041 40.979 42.059 -0.065 0.000 0.973 108 L HN 0.324 nan 8.230 nan 0.000 0.451 109 H N -3.063 115.848 119.070 -0.266 0.000 2.788 109 H HA 0.180 4.736 4.556 -0.000 0.000 0.262 109 H C 2.157 177.355 175.328 -0.216 0.000 0.968 109 H CA 0.858 56.728 56.048 -0.297 0.000 1.218 109 H CB 0.502 29.897 29.762 -0.612 0.000 1.443 109 H HN 0.101 nan 8.280 nan 0.000 0.478 110 S N 0.454 115.987 115.700 -0.279 0.000 2.357 110 S HA -0.049 4.421 4.470 -0.000 0.000 0.221 110 S C 2.151 176.658 174.600 -0.155 0.000 1.031 110 S CA 1.132 59.181 58.200 -0.251 0.000 0.982 110 S CB -0.199 62.921 63.200 -0.134 0.000 0.853 110 S HN 0.334 nan 8.310 nan 0.000 0.458 111 L N 1.581 122.753 121.223 -0.085 0.000 2.042 111 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 111 L C 2.752 179.593 176.870 -0.048 0.000 1.076 111 L CA 1.461 56.298 54.840 -0.005 0.000 0.749 111 L CB -0.605 41.469 42.059 0.025 0.000 0.893 111 L HN 0.387 nan 8.230 nan 0.000 0.432 112 E N 0.708 120.853 120.200 -0.092 0.000 2.118 112 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 112 E C 2.256 178.784 176.600 -0.119 0.000 0.992 112 E CA 1.301 57.653 56.400 -0.080 0.000 0.804 112 E CB 0.008 29.691 29.700 -0.029 0.000 0.741 112 E HN 0.485 nan 8.360 nan 0.000 0.458 113 L N 0.210 121.301 121.223 -0.221 0.000 2.209 113 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 113 L C 2.162 178.987 176.870 -0.076 0.000 1.094 113 L CA 0.361 55.096 54.840 -0.175 0.000 0.790 113 L CB 0.023 41.918 42.059 -0.274 0.000 0.932 113 L HN 0.125 nan 8.230 nan 0.000 0.447 114 L N -0.494 120.693 121.223 -0.060 0.000 2.627 114 L HA -0.021 4.319 4.340 -0.000 0.000 0.233 114 L C 0.575 177.422 176.870 -0.038 0.000 1.144 114 L CA 0.069 54.898 54.840 -0.018 0.000 0.892 114 L CB -0.408 41.666 42.059 0.025 0.000 1.039 114 L HN 0.264 nan 8.230 nan 0.000 0.442 115 D N 0.310 120.684 120.400 -0.044 0.000 3.012 115 D HA -0.179 4.461 4.640 -0.000 0.000 0.222 115 D C 0.425 176.681 176.300 -0.072 0.000 1.167 115 D CA 0.739 54.710 54.000 -0.048 0.000 0.854 115 D CB -0.242 40.533 40.800 -0.041 0.000 1.107 115 D HN 0.325 nan 8.370 nan 0.000 0.421 116 E N 0.320 120.480 120.200 -0.067 0.000 2.345 116 E HA 0.390 4.740 4.350 -0.000 0.000 0.259 116 E C -1.828 174.754 176.600 -0.031 0.000 1.117 116 E CA -1.168 55.172 56.400 -0.100 0.000 0.913 116 E CB 0.273 29.953 29.700 -0.033 0.000 1.057 116 E HN 0.288 nan 8.360 nan 0.000 0.432 117 P HA 0.245 nan 4.420 nan 0.000 0.278 117 P C -0.410 176.917 177.300 0.045 0.000 1.238 117 P CA -0.204 62.901 63.100 0.010 0.000 0.794 117 P CB 0.745 32.448 31.700 0.004 0.000 0.955 118 I N 2.546 123.123 120.570 0.012 0.000 2.697 118 I HA 0.248 4.418 4.170 -0.000 0.000 0.279 118 I C -2.286 173.825 176.117 -0.010 0.000 1.171 118 I CA -2.700 58.600 61.300 0.000 0.000 1.135 118 I CB -0.300 37.688 38.000 -0.020 0.000 1.445 118 I HN 0.114 nan 8.210 nan 0.000 0.541 119 P HA -0.081 nan 4.420 nan 0.000 0.260 119 P C 0.970 178.258 177.300 -0.020 0.000 1.147 119 P CA 0.492 63.589 63.100 -0.005 0.000 0.758 119 P CB 0.512 32.213 31.700 0.002 0.000 0.744 120 Q N 1.838 121.624 119.800 -0.022 0.000 2.515 120 Q HA -0.156 4.184 4.340 -0.000 0.000 0.215 120 Q C 1.008 176.990 176.000 -0.029 0.000 0.983 120 Q CA 1.070 56.855 55.803 -0.031 0.000 0.905 120 Q CB -0.273 28.448 28.738 -0.029 0.000 0.961 120 Q HN 0.529 nan 8.270 nan 0.000 0.503 121 I N -1.941 118.615 120.570 -0.024 0.000 3.039 121 I HA -0.103 4.067 4.170 -0.000 0.000 0.270 121 I C 1.963 178.065 176.117 -0.026 0.000 1.150 121 I CA 0.319 61.605 61.300 -0.022 0.000 1.448 121 I CB -0.387 37.602 38.000 -0.018 0.000 1.197 121 I HN -0.075 nan 8.210 nan 0.000 0.450 122 V N 1.060 120.956 119.914 -0.029 0.000 2.358 122 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 122 V C 2.672 178.742 176.094 -0.039 0.000 1.047 122 V CA 1.992 64.269 62.300 -0.038 0.000 1.035 122 V CB -0.392 31.405 31.823 -0.043 0.000 0.658 122 V HN 0.402 nan 8.190 nan 0.000 0.452 123 A N -0.883 121.913 122.820 -0.040 0.000 1.940 123 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 123 A C 2.325 179.885 177.584 -0.040 0.000 1.176 123 A CA 2.659 54.668 52.037 -0.047 0.000 0.631 123 A CB -1.072 17.894 19.000 -0.057 0.000 0.814 123 A HN 0.557 nan 8.150 nan 0.000 0.446 124 T N 0.233 114.766 114.554 -0.034 0.000 2.737 124 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 124 T C 1.529 176.227 174.700 -0.003 0.000 1.038 124 T CA 1.412 63.497 62.100 -0.024 0.000 1.144 124 T CB -0.417 68.438 68.868 -0.022 0.000 0.866 124 T HN 0.508 nan 8.240 nan 0.000 0.434 125 D N 0.998 121.395 120.400 -0.004 0.000 2.123 125 D HA -0.082 4.558 4.640 -0.000 0.000 0.196 125 D C 2.271 178.602 176.300 0.052 0.000 0.992 125 D CA 0.781 54.789 54.000 0.013 0.000 0.833 125 D CB -0.580 40.209 40.800 -0.019 0.000 0.954 125 D HN 0.200 nan 8.370 nan 0.000 0.455 126 V N 1.059 120.988 119.914 0.025 0.000 2.287 126 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 126 V C 2.802 178.941 176.094 0.074 0.000 1.053 126 V CA 1.417 63.753 62.300 0.060 0.000 1.027 126 V CB -0.565 31.257 31.823 -0.002 0.000 0.646 126 V HN 0.297 nan 8.190 nan 0.000 0.447 127 C N -0.644 118.669 119.300 0.022 0.000 2.413 127 C HA -0.215 4.245 4.460 -0.000 0.000 0.276 127 C C 2.832 177.847 174.990 0.041 0.000 1.248 127 C CA 1.595 60.619 59.018 0.010 0.000 1.742 127 C CB -1.042 26.690 27.740 -0.013 0.000 2.017 127 C HN 0.693 nan 8.230 nan 0.000 0.481 128 Q N -0.540 119.295 119.800 0.059 0.000 2.119 128 Q HA -0.201 4.139 4.340 -0.000 0.000 0.201 128 Q C 2.054 178.122 176.000 0.114 0.000 0.972 128 Q CA 1.567 57.413 55.803 0.070 0.000 0.847 128 Q CB -0.301 28.475 28.738 0.063 0.000 0.903 128 Q HN 0.657 nan 8.270 nan 0.000 0.433 129 F N 0.856 120.800 119.950 -0.010 0.000 2.128 129 F HA -0.072 4.454 4.527 -0.000 0.000 0.295 129 F C 1.641 177.451 175.800 0.017 0.000 1.100 129 F CA 1.124 59.120 58.000 -0.006 0.000 1.260 129 F CB -0.295 38.688 39.000 -0.028 0.000 1.009 129 F HN 0.044 nan 8.300 nan 0.000 0.476 130 L N 0.120 121.252 121.223 -0.151 0.000 2.131 130 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 130 L C 2.416 179.295 176.870 0.016 0.000 1.092 130 L CA 1.755 56.479 54.840 -0.194 0.000 0.759 130 L CB -0.796 41.179 42.059 -0.139 0.000 0.903 130 L HN 0.240 nan 8.230 nan 0.000 0.435 131 E N 0.499 120.712 120.200 0.022 0.000 2.153 131 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 131 E C 2.246 178.820 176.600 -0.045 0.000 0.988 131 E CA 0.898 57.317 56.400 0.032 0.000 0.811 131 E CB 0.031 29.746 29.700 0.025 0.000 0.746 131 E HN 0.456 nan 8.360 nan 0.000 0.466 132 L N -0.513 120.650 121.223 -0.099 0.000 2.313 132 L HA -0.107 4.233 4.340 -0.000 0.000 0.214 132 L C 2.209 178.974 176.870 -0.175 0.000 1.119 132 L CA 0.275 55.046 54.840 -0.116 0.000 0.809 132 L CB 0.078 42.091 42.059 -0.075 0.000 0.933 132 L HN 0.333 nan 8.230 nan 0.000 0.449 133 C N -1.125 118.027 119.300 -0.247 0.000 2.485 133 C HA -0.042 4.418 4.460 -0.000 0.000 0.278 133 C C 1.577 176.512 174.990 -0.092 0.000 1.356 133 C CA -0.411 58.497 59.018 -0.183 0.000 1.747 133 C CB -0.510 27.100 27.740 -0.217 0.000 2.001 133 C HN 0.410 nan 8.230 nan 0.000 0.501 134 Q N 1.577 121.286 119.800 -0.151 0.000 2.330 134 Q HA 0.092 4.432 4.340 -0.000 0.000 0.279 134 Q C 0.153 175.922 176.000 -0.384 0.000 1.024 134 Q CA 0.326 55.764 55.803 -0.608 0.000 0.900 134 Q CB 0.535 28.841 28.738 -0.719 0.000 1.221 134 Q HN 0.493 nan 8.270 nan 0.000 0.396 135 S N 3.695 119.138 115.700 -0.427 0.000 2.585 135 S HA 0.386 4.856 4.470 -0.000 0.000 0.277 135 S C -1.742 172.723 174.600 -0.225 0.000 1.241 135 S CA -1.658 56.385 58.200 -0.261 0.000 1.041 135 S CB 0.951 64.002 63.200 -0.249 0.000 0.987 135 S HN 0.643 nan 8.310 nan 0.000 0.512 136 P HA 0.018 nan 4.420 nan 0.000 0.230 136 P C -0.017 177.228 177.300 -0.090 0.000 1.158 136 P CA 0.803 63.843 63.100 -0.100 0.000 0.769 136 P CB 0.075 31.738 31.700 -0.063 0.000 0.807 137 D N -0.354 119.980 120.400 -0.110 0.000 2.349 137 D HA 0.255 4.895 4.640 -0.000 0.000 0.214 137 D C 1.168 177.418 176.300 -0.083 0.000 1.063 137 D CA 0.584 54.543 54.000 -0.069 0.000 0.847 137 D CB 0.418 41.188 40.800 -0.050 0.000 0.933 137 D HN 0.156 nan 8.370 nan 0.000 0.513 138 G N -0.236 108.448 108.800 -0.193 0.000 2.663 138 G HA2 0.379 4.339 3.960 -0.000 0.000 0.686 138 G HA3 0.379 4.339 3.960 -0.000 0.000 0.686 138 G C 0.288 174.864 174.900 -0.539 0.000 1.246 138 G CA -0.483 44.473 45.100 -0.241 0.000 0.795 138 G HN 0.697 nan 8.290 nan 0.000 0.627 139 G N -0.870 107.612 108.800 -0.530 0.000 2.760 139 G HA2 0.364 4.324 3.960 -0.000 0.000 0.246 139 G HA3 0.364 4.324 3.960 -0.000 0.000 0.246 139 G C -0.458 173.983 174.900 -0.764 0.000 1.359 139 G CA 0.192 44.938 45.100 -0.590 0.000 0.861 139 G HN 1.808 nan 8.290 nan 0.000 0.541 140 F N 0.256 120.056 119.950 -0.251 0.000 2.563 140 F HA 0.707 5.234 4.527 -0.000 0.000 0.316 140 F C 1.084 176.810 175.800 -0.124 0.000 1.076 140 F CA 0.212 58.101 58.000 -0.184 0.000 0.921 140 F CB 2.101 40.993 39.000 -0.179 0.000 1.209 140 F HN 0.839 nan 8.300 nan 0.000 0.462 141 G N -0.037 108.797 108.800 0.056 0.000 2.557 141 G HA2 0.442 4.402 3.960 -0.000 0.000 0.302 141 G HA3 0.442 4.402 3.960 -0.000 0.000 0.302 141 G C 0.800 175.719 174.900 0.031 0.000 1.311 141 G CA -0.358 44.768 45.100 0.044 0.000 1.030 141 G HN 0.895 nan 8.290 nan 0.000 0.509 142 G N -1.857 106.955 108.800 0.019 0.000 2.813 142 G HA2 0.465 4.425 3.960 -0.000 0.000 0.209 142 G HA3 0.465 4.425 3.960 -0.000 0.000 0.209 142 G C 0.631 175.561 174.900 0.050 0.000 1.150 142 G CA 0.958 46.079 45.100 0.035 0.000 0.785 142 G HN 1.234 nan 8.290 nan 0.000 0.535 143 G N -1.249 107.558 108.800 0.011 0.000 2.441 143 G HA2 0.485 4.445 3.960 -0.000 0.000 0.294 143 G HA3 0.485 4.445 3.960 -0.000 0.000 0.294 143 G C -3.405 171.473 174.900 -0.037 0.000 1.393 143 G CA -0.958 44.162 45.100 0.033 0.000 0.796 143 G HN -0.109 nan 8.290 nan 0.000 0.494 144 P HA 0.299 nan 4.420 nan 0.000 0.262 144 P C 1.020 178.316 177.300 -0.006 0.000 1.182 144 P CA 2.047 65.131 63.100 -0.026 0.000 0.761 144 P CB 0.903 32.638 31.700 0.057 0.000 0.795 145 G N 1.680 110.468 108.800 -0.019 0.000 2.179 145 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 145 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 145 G C 0.072 174.965 174.900 -0.013 0.000 0.977 145 G CA -0.232 44.866 45.100 -0.004 0.000 0.641 145 G HN 0.570 nan 8.290 nan 0.000 0.533 146 Q N -0.522 119.265 119.800 -0.023 0.000 2.230 146 Q HA 0.512 4.852 4.340 -0.000 0.000 0.248 146 Q C 0.103 176.152 176.000 0.082 0.000 0.915 146 Q CA -0.767 55.006 55.803 -0.050 0.000 0.900 146 Q CB 0.947 29.659 28.738 -0.044 0.000 1.229 146 Q HN 0.493 nan 8.270 nan 0.000 0.439 147 Y N 2.570 122.875 120.300 0.009 0.000 2.702 147 Y HA -0.001 4.549 4.550 -0.000 0.000 0.336 147 Y C -1.543 174.365 175.900 0.013 0.000 1.235 147 Y CA -1.841 56.271 58.100 0.020 0.000 1.492 147 Y CB 0.003 38.513 38.460 0.084 0.000 1.308 147 Y HN 0.397 nan 8.280 nan 0.000 0.589 148 P HA -0.059 nan 4.420 nan 0.000 0.269 148 P C -0.907 176.510 177.300 0.196 0.000 1.209 148 P CA 0.677 63.738 63.100 -0.065 0.000 0.776 148 P CB 0.999 32.350 31.700 -0.581 0.000 0.876 149 H N 2.054 121.202 119.070 0.130 0.000 2.996 149 H HA 0.208 4.764 4.556 -0.000 0.000 0.368 149 H C 0.647 176.150 175.328 0.293 0.000 1.185 149 H CA -0.616 55.591 56.048 0.264 0.000 1.160 149 H CB 1.609 31.441 29.762 0.118 0.000 1.820 149 H HN 0.212 nan 8.280 nan 0.000 0.547 150 L N 2.556 123.999 121.223 0.367 0.000 2.141 150 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 150 L C 2.478 179.576 176.870 0.380 0.000 1.094 150 L CA 1.395 56.431 54.840 0.327 0.000 0.763 150 L CB -0.402 41.740 42.059 0.138 0.000 0.908 150 L HN 0.674 nan 8.230 nan 0.000 0.437 151 A N 0.727 123.932 122.820 0.641 0.000 1.855 151 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 151 A C -0.144 177.559 177.584 0.199 0.000 1.191 151 A CA 1.417 53.807 52.037 0.589 0.000 0.613 151 A CB -1.725 17.751 19.000 0.792 0.000 0.829 151 A HN 0.258 nan 8.150 nan 0.000 0.442 152 P HA -0.064 nan 4.420 nan 0.000 0.218 152 P C 1.395 178.569 177.300 -0.210 0.000 1.149 152 P CA 1.624 64.619 63.100 -0.176 0.000 0.817 152 P CB -0.166 31.544 31.700 0.016 0.000 0.785 153 T N -1.298 113.278 114.554 0.036 0.000 2.701 153 T HA -0.208 4.142 4.350 -0.000 0.000 0.263 153 T C 1.620 176.244 174.700 -0.127 0.000 1.040 153 T CA 1.295 63.454 62.100 0.098 0.000 1.147 153 T CB -1.194 67.833 68.868 0.264 0.000 0.865 153 T HN 0.110 nan 8.240 nan 0.000 0.426 154 Y N 2.268 122.432 120.300 -0.226 0.000 2.114 154 Y HA -0.169 4.381 4.550 -0.000 0.000 0.282 154 Y C 2.471 178.019 175.900 -0.586 0.000 1.165 154 Y CA 1.258 59.158 58.100 -0.333 0.000 1.148 154 Y CB -0.729 37.587 38.460 -0.238 0.000 0.972 154 Y HN 0.174 nan 8.280 nan 0.000 0.504 155 A N 0.820 123.128 122.820 -0.853 0.000 1.877 155 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 155 A C 2.471 179.558 177.584 -0.828 0.000 1.186 155 A CA 2.077 53.412 52.037 -1.170 0.000 0.620 155 A CB -1.630 16.441 19.000 -1.549 0.000 0.822 155 A HN 0.683 nan 8.150 nan 0.000 0.443 156 A N -0.489 121.869 122.820 -0.770 0.000 1.883 156 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 156 A C 2.246 179.403 177.584 -0.711 0.000 1.186 156 A CA 1.973 53.499 52.037 -0.852 0.000 0.624 156 A CB -1.096 16.945 19.000 -1.598 0.000 0.822 156 A HN 0.442 nan 8.150 nan 0.000 0.444 157 V N 0.767 120.291 119.914 -0.650 0.000 2.287 157 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 157 V C 2.354 178.224 176.094 -0.373 0.000 1.053 157 V CA 2.306 64.355 62.300 -0.419 0.000 1.027 157 V CB -1.103 30.529 31.823 -0.319 0.000 0.646 157 V HN 0.555 nan 8.190 nan 0.000 0.447 158 N N 0.186 118.558 118.700 -0.548 0.000 2.166 158 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 158 N C 1.819 177.207 175.510 -0.202 0.000 1.019 158 N CA 1.599 54.373 53.050 -0.459 0.000 0.856 158 N CB -0.534 37.413 38.487 -0.900 0.000 0.993 158 N HN 0.495 nan 8.380 nan 0.000 0.426 159 A N 1.009 123.699 122.820 -0.215 0.000 1.835 159 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 159 A C 2.276 179.800 177.584 -0.100 0.000 1.199 159 A CA 1.107 53.088 52.037 -0.094 0.000 0.615 159 A CB -1.018 17.892 19.000 -0.149 0.000 0.838 159 A HN 0.260 nan 8.150 nan 0.000 0.444 160 L N -0.690 120.446 121.223 -0.145 0.000 2.137 160 L HA -0.320 4.020 4.340 -0.000 0.000 0.213 160 L C 2.654 179.512 176.870 -0.019 0.000 1.085 160 L CA 1.460 56.251 54.840 -0.082 0.000 0.760 160 L CB -0.719 41.309 42.059 -0.050 0.000 0.893 160 L HN 0.540 nan 8.230 nan 0.000 0.434 161 C N -0.621 118.694 119.300 0.026 0.000 2.467 161 C HA -0.019 4.441 4.460 -0.000 0.000 0.279 161 C C 2.686 177.708 174.990 0.053 0.000 1.347 161 C CA -0.061 59.036 59.018 0.132 0.000 1.748 161 C CB -0.434 27.358 27.740 0.087 0.000 1.977 161 C HN 0.428 nan 8.230 nan 0.000 0.501 162 I N 0.892 121.470 120.570 0.014 0.000 2.226 162 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 162 I C 2.251 178.356 176.117 -0.019 0.000 1.100 162 I CA 1.717 63.032 61.300 0.025 0.000 1.374 162 I CB -0.357 37.672 38.000 0.047 0.000 1.057 162 I HN 0.325 nan 8.210 nan 0.000 0.413 163 I N 0.632 121.164 120.570 -0.063 0.000 2.110 163 I HA -0.136 4.034 4.170 -0.000 0.000 0.236 163 I C 1.426 177.441 176.117 -0.171 0.000 1.068 163 I CA 1.248 62.483 61.300 -0.109 0.000 1.333 163 I CB -0.894 37.027 38.000 -0.130 0.000 1.054 163 I HN 0.409 nan 8.210 nan 0.000 0.402 164 G N 2.417 111.042 108.800 -0.292 0.000 2.385 164 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.294 164 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.294 164 G C 0.077 174.538 174.900 -0.733 0.000 1.070 164 G CA 0.348 45.122 45.100 -0.543 0.000 1.172 164 G HN 0.634 nan 8.290 nan 0.000 0.516 165 T N -3.068 110.920 114.554 -0.943 0.000 2.896 165 T HA 0.697 5.047 4.350 -0.000 0.000 0.297 165 T C 0.940 175.256 174.700 -0.641 0.000 1.108 165 T CA -0.097 61.644 62.100 -0.598 0.000 1.004 165 T CB 2.029 70.702 68.868 -0.325 0.000 1.159 165 T HN -0.063 nan 8.240 nan 0.000 0.499 166 E N 0.796 120.799 120.200 -0.329 0.000 2.114 166 E HA -0.228 4.122 4.350 -0.000 0.000 0.199 166 E C 1.671 178.188 176.600 -0.138 0.000 1.008 166 E CA 1.908 58.200 56.400 -0.180 0.000 0.810 166 E CB -0.150 29.508 29.700 -0.069 0.000 0.739 166 E HN 0.925 nan 8.360 nan 0.000 0.456 167 E N 0.154 120.266 120.200 -0.146 0.000 2.017 167 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 167 E C 2.026 178.577 176.600 -0.081 0.000 0.997 167 E CA 1.121 57.470 56.400 -0.086 0.000 0.804 167 E CB -0.072 29.580 29.700 -0.080 0.000 0.757 167 E HN 0.161 nan 8.360 nan 0.000 0.448 168 A N 0.661 123.377 122.820 -0.172 0.000 1.851 168 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 168 A C 2.098 179.687 177.584 0.009 0.000 1.195 168 A CA 1.736 53.695 52.037 -0.130 0.000 0.622 168 A CB -1.394 17.461 19.000 -0.242 0.000 0.831 168 A HN 0.545 nan 8.150 nan 0.000 0.444 169 Y N -0.013 120.267 120.300 -0.034 0.000 2.151 169 Y HA -0.259 4.290 4.550 -0.000 0.000 0.284 169 Y C 2.296 178.296 175.900 0.166 0.000 1.166 169 Y CA 0.935 59.078 58.100 0.070 0.000 1.163 169 Y CB -0.276 37.949 38.460 -0.392 0.000 0.974 169 Y HN 0.314 nan 8.280 nan 0.000 0.511 170 N N -0.273 118.554 118.700 0.211 0.000 2.550 170 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 170 N C 1.570 177.172 175.510 0.153 0.000 1.110 170 N CA 0.505 53.659 53.050 0.174 0.000 0.912 170 N CB -0.181 38.362 38.487 0.094 0.000 0.968 170 N HN 0.162 nan 8.380 nan 0.000 0.448 171 V N 1.028 121.033 119.914 0.152 0.000 2.453 171 V HA -0.046 4.074 4.120 -0.000 0.000 0.247 171 V C 1.062 177.264 176.094 0.181 0.000 1.048 171 V CA 0.609 62.992 62.300 0.138 0.000 1.049 171 V CB -0.241 31.660 31.823 0.130 0.000 0.672 171 V HN 0.194 nan 8.190 nan 0.000 0.457 172 I N 2.500 123.217 120.570 0.245 0.000 2.578 172 I HA 0.024 4.194 4.170 -0.000 0.000 0.286 172 I C 0.512 176.716 176.117 0.145 0.000 1.126 172 I CA 0.239 61.679 61.300 0.234 0.000 1.380 172 I CB -0.268 37.860 38.000 0.213 0.000 1.408 172 I HN 0.162 nan 8.210 nan 0.000 0.532 173 N N 7.208 125.938 118.700 0.049 0.000 2.482 173 N HA 0.113 4.853 4.740 -0.000 0.000 0.242 173 N C 0.965 176.484 175.510 0.015 0.000 1.100 173 N CA -0.058 53.003 53.050 0.020 0.000 0.946 173 N CB 0.497 38.960 38.487 -0.040 0.000 1.227 173 N HN 0.455 nan 8.380 nan 0.000 0.508 174 R N 1.336 121.860 120.500 0.040 0.000 2.115 174 R HA -0.083 4.257 4.340 -0.000 0.000 0.230 174 R C 1.259 177.568 176.300 0.015 0.000 1.111 174 R CA 1.167 57.273 56.100 0.011 0.000 0.976 174 R CB 0.193 30.506 30.300 0.022 0.000 0.870 174 R HN 0.581 nan 8.270 nan 0.000 0.445 175 E N 0.706 120.924 120.200 0.031 0.000 2.216 175 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 175 E C 1.382 178.039 176.600 0.095 0.000 0.988 175 E CA 0.732 57.164 56.400 0.054 0.000 0.834 175 E CB 0.004 29.735 29.700 0.052 0.000 0.772 175 E HN 0.114 nan 8.360 nan 0.000 0.479 176 K N 0.548 120.982 120.400 0.056 0.000 2.211 176 K HA 0.075 4.395 4.320 -0.000 0.000 0.201 176 K C 2.084 178.731 176.600 0.079 0.000 1.052 176 K CA 0.084 56.403 56.287 0.053 0.000 0.973 176 K CB -0.246 32.246 32.500 -0.014 0.000 0.766 176 K HN 0.105 nan 8.250 nan 0.000 0.466 177 L N 1.437 122.692 121.223 0.054 0.000 2.083 177 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 177 L C 1.984 178.924 176.870 0.116 0.000 1.083 177 L CA 1.368 56.259 54.840 0.084 0.000 0.752 177 L CB -0.488 41.589 42.059 0.030 0.000 0.899 177 L HN 0.084 nan 8.230 nan 0.000 0.433 178 L N -1.283 120.002 121.223 0.102 0.000 2.056 178 L HA -0.237 4.103 4.340 -0.000 0.000 0.207 178 L C 2.607 179.631 176.870 0.257 0.000 1.078 178 L CA 1.307 56.219 54.840 0.120 0.000 0.749 178 L CB -0.214 41.958 42.059 0.189 0.000 0.901 178 L HN 0.404 nan 8.230 nan 0.000 0.433 179 Q N -1.186 118.788 119.800 0.291 0.000 2.045 179 Q HA -0.312 4.028 4.340 -0.000 0.000 0.206 179 Q C 2.051 178.181 176.000 0.217 0.000 0.991 179 Q CA 2.433 58.388 55.803 0.253 0.000 0.851 179 Q CB -0.407 28.432 28.738 0.168 0.000 0.911 179 Q HN 0.451 nan 8.270 nan 0.000 0.418 180 Y N 1.201 121.539 120.300 0.063 0.000 2.097 180 Y HA -0.249 4.301 4.550 -0.000 0.000 0.282 180 Y C 1.837 177.766 175.900 0.048 0.000 1.152 180 Y CA 1.471 59.590 58.100 0.033 0.000 1.136 180 Y CB -0.427 38.031 38.460 -0.003 0.000 0.975 180 Y HN 0.044 nan 8.280 nan 0.000 0.498 181 L N -1.202 119.950 121.223 -0.118 0.000 2.013 181 L HA -0.321 4.019 4.340 -0.000 0.000 0.212 181 L C 2.341 179.159 176.870 -0.086 0.000 1.073 181 L CA 1.990 56.691 54.840 -0.232 0.000 0.753 181 L CB -0.947 40.964 42.059 -0.247 0.000 0.890 181 L HN 0.303 nan 8.230 nan 0.000 0.432 182 Y N -0.084 120.192 120.300 -0.041 0.000 2.352 182 Y HA -0.257 4.293 4.550 -0.000 0.000 0.292 182 Y C 3.038 178.872 175.900 -0.110 0.000 1.136 182 Y CA 1.154 59.216 58.100 -0.062 0.000 1.227 182 Y CB -0.066 38.360 38.460 -0.058 0.000 0.991 182 Y HN 0.326 nan 8.280 nan 0.000 0.545 183 S N -0.043 115.677 115.700 0.034 0.000 2.423 183 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 183 S C 1.526 176.069 174.600 -0.096 0.000 1.014 183 S CA 1.088 59.266 58.200 -0.037 0.000 0.965 183 S CB -0.642 62.552 63.200 -0.010 0.000 0.785 183 S HN 0.509 nan 8.310 nan 0.000 0.495 184 L N -0.337 120.804 121.223 -0.136 0.000 2.416 184 L HA 0.333 4.673 4.340 -0.000 0.000 0.216 184 L C 1.005 177.814 176.870 -0.102 0.000 1.098 184 L CA -0.212 54.562 54.840 -0.109 0.000 0.840 184 L CB -0.420 41.557 42.059 -0.136 0.000 0.981 184 L HN 0.105 nan 8.230 nan 0.000 0.462 185 K N 1.900 122.206 120.400 -0.156 0.000 2.511 185 K HA -0.022 4.298 4.320 -0.000 0.000 0.280 185 K C -0.193 176.168 176.600 -0.399 0.000 1.008 185 K CA 0.673 56.631 56.287 -0.548 0.000 1.050 185 K CB 0.317 32.550 32.500 -0.445 0.000 0.889 185 K HN -0.053 nan 8.250 nan 0.000 0.484 186 Q N 4.789 124.293 119.800 -0.494 0.000 2.266 186 Q HA 0.279 4.619 4.340 -0.000 0.000 0.261 186 Q C -1.808 174.026 176.000 -0.276 0.000 0.985 186 Q CA -2.287 53.318 55.803 -0.330 0.000 0.873 186 Q CB 1.119 29.653 28.738 -0.341 0.000 1.306 186 Q HN 0.417 nan 8.270 nan 0.000 0.447 187 P HA -0.170 nan 4.420 nan 0.000 0.218 187 P C 0.452 177.692 177.300 -0.100 0.000 1.148 187 P CA 1.388 64.414 63.100 -0.123 0.000 0.822 187 P CB 0.275 31.924 31.700 -0.085 0.000 0.784 188 D N -2.045 118.294 120.400 -0.101 0.000 2.336 188 D HA 0.071 4.711 4.640 -0.000 0.000 0.229 188 D C 1.427 177.708 176.300 -0.031 0.000 1.061 188 D CA 0.695 54.687 54.000 -0.014 0.000 0.875 188 D CB -0.766 40.087 40.800 0.087 0.000 0.904 188 D HN 0.266 nan 8.370 nan 0.000 0.525 189 G N -0.112 108.577 108.800 -0.184 0.000 2.232 189 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.226 189 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.226 189 G C 0.454 175.114 174.900 -0.400 0.000 0.996 189 G CA 0.280 45.267 45.100 -0.187 0.000 0.626 189 G HN 0.805 nan 8.290 nan 0.000 0.509 190 S N -0.157 115.103 115.700 -0.733 0.000 2.681 190 S HA 0.840 5.310 4.470 -0.000 0.000 0.270 190 S C -0.245 173.977 174.600 -0.630 0.000 1.209 190 S CA -0.479 57.171 58.200 -0.916 0.000 0.988 190 S CB 1.573 63.782 63.200 -1.651 0.000 1.006 190 S HN 0.504 nan 8.310 nan 0.000 0.558 191 F N -0.614 119.094 119.950 -0.402 0.000 2.598 191 F HA 0.590 5.117 4.527 -0.000 0.000 0.327 191 F C -0.003 175.645 175.800 -0.253 0.000 1.057 191 F CA -1.141 56.698 58.000 -0.267 0.000 0.957 191 F CB 1.333 40.217 39.000 -0.192 0.000 1.278 191 F HN 0.440 nan 8.300 nan 0.000 0.484 192 L N 2.085 123.299 121.223 -0.015 0.000 2.416 192 L HA 0.285 4.625 4.340 -0.000 0.000 0.262 192 L C 1.083 177.919 176.870 -0.057 0.000 1.093 192 L CA -0.814 53.978 54.840 -0.080 0.000 0.801 192 L CB 0.673 42.654 42.059 -0.129 0.000 1.191 192 L HN 0.622 nan 8.230 nan 0.000 0.459 193 M N -0.059 119.499 119.600 -0.070 0.000 2.288 193 M HA 0.041 4.521 4.480 -0.000 0.000 0.266 193 M C 0.349 176.572 176.300 -0.129 0.000 1.072 193 M CA 1.170 56.400 55.300 -0.117 0.000 1.132 193 M CB -0.827 31.700 32.600 -0.122 0.000 1.386 193 M HN 0.784 nan 8.290 nan 0.000 0.432 194 H N -4.551 114.414 119.070 -0.174 0.000 2.981 194 H HA 0.495 5.051 4.556 -0.000 0.000 0.327 194 H C -0.907 174.438 175.328 0.029 0.000 1.342 194 H CA -1.271 54.774 56.048 -0.006 0.000 1.123 194 H CB 0.736 30.534 29.762 0.060 0.000 1.851 194 H HN -0.250 nan 8.280 nan 0.000 0.531 195 V N 1.784 121.747 119.914 0.082 0.000 2.493 195 V HA 0.238 4.358 4.120 -0.000 0.000 0.292 195 V C 1.511 177.517 176.094 -0.145 0.000 1.016 195 V CA 1.743 64.023 62.300 -0.033 0.000 1.097 195 V CB 0.107 31.943 31.823 0.022 0.000 0.947 195 V HN 1.307 nan 8.190 nan 0.000 0.479 196 G N 3.676 112.368 108.800 -0.181 0.000 2.162 196 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.260 196 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.260 196 G C 0.494 175.202 174.900 -0.320 0.000 0.976 196 G CA 0.075 45.076 45.100 -0.165 0.000 0.655 196 G HN 1.321 nan 8.290 nan 0.000 0.533 197 G N -0.491 107.923 108.800 -0.644 0.000 2.531 197 G HA2 0.653 4.613 3.960 -0.000 0.000 0.313 197 G HA3 0.653 4.613 3.960 -0.000 0.000 0.313 197 G C 0.331 175.088 174.900 -0.238 0.000 1.238 197 G CA 0.228 44.867 45.100 -0.767 0.000 0.994 197 G HN 0.677 nan 8.290 nan 0.000 0.493 198 E N -1.052 119.114 120.200 -0.056 0.000 2.391 198 E HA 0.284 4.634 4.350 -0.000 0.000 0.255 198 E C -0.927 175.665 176.600 -0.013 0.000 1.187 198 E CA -0.289 56.112 56.400 0.002 0.000 0.941 198 E CB 1.221 30.965 29.700 0.074 0.000 1.010 198 E HN 0.088 nan 8.360 nan 0.000 0.458 199 V N 1.570 121.479 119.914 -0.010 0.000 2.540 199 V HA 0.426 4.546 4.120 -0.000 0.000 0.302 199 V C -0.767 175.339 176.094 0.020 0.000 1.035 199 V CA -0.257 62.019 62.300 -0.041 0.000 0.873 199 V CB 1.364 33.124 31.823 -0.105 0.000 0.992 199 V HN 0.965 nan 8.190 nan 0.000 0.428 200 D N 1.904 122.321 120.400 0.028 0.000 2.755 200 D HA 0.222 4.862 4.640 -0.000 0.000 0.277 200 D C 0.362 176.752 176.300 0.150 0.000 1.261 200 D CA -0.576 53.484 54.000 0.101 0.000 0.759 200 D CB 1.366 42.139 40.800 -0.045 0.000 1.279 200 D HN 0.143 nan 8.370 nan 0.000 0.420 201 V N 0.056 120.096 119.914 0.211 0.000 2.527 201 V HA -0.279 3.841 4.120 -0.000 0.000 0.255 201 V C 2.298 178.537 176.094 0.243 0.000 1.081 201 V CA 1.988 64.462 62.300 0.290 0.000 1.092 201 V CB -1.181 30.784 31.823 0.236 0.000 0.673 201 V HN 0.551 nan 8.190 nan 0.000 0.470 202 R N 1.443 122.103 120.500 0.266 0.000 2.117 202 R HA -0.184 4.156 4.340 -0.000 0.000 0.243 202 R C 2.692 179.098 176.300 0.176 0.000 1.143 202 R CA 1.827 58.075 56.100 0.246 0.000 0.968 202 R CB -0.686 29.764 30.300 0.250 0.000 0.863 202 R HN 0.770 nan 8.270 nan 0.000 0.444 203 S N 0.645 116.416 115.700 0.120 0.000 2.382 203 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 203 S C 2.230 176.796 174.600 -0.057 0.000 1.027 203 S CA 0.983 59.200 58.200 0.029 0.000 0.991 203 S CB -0.174 63.045 63.200 0.031 0.000 0.823 203 S HN 0.382 nan 8.310 nan 0.000 0.469 204 A N 0.791 123.646 122.820 0.058 0.000 1.898 204 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 204 A C 2.114 179.695 177.584 -0.006 0.000 1.181 204 A CA 1.496 53.574 52.037 0.069 0.000 0.620 204 A CB -1.220 17.898 19.000 0.197 0.000 0.819 204 A HN 0.707 nan 8.150 nan 0.000 0.442 205 Y N 0.006 120.267 120.300 -0.064 0.000 2.220 205 Y HA -0.197 4.353 4.550 -0.000 0.000 0.291 205 Y C 2.492 178.347 175.900 -0.074 0.000 1.129 205 Y CA 1.195 59.237 58.100 -0.096 0.000 1.161 205 Y CB -0.848 37.569 38.460 -0.072 0.000 0.997 205 Y HN 0.359 nan 8.280 nan 0.000 0.522 206 C N 0.683 119.874 119.300 -0.182 0.000 2.413 206 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 206 C C 3.091 177.986 174.990 -0.157 0.000 1.228 206 C CA 1.453 60.352 59.018 -0.198 0.000 1.731 206 C CB -1.740 25.986 27.740 -0.023 0.000 2.042 206 C HN 0.749 nan 8.230 nan 0.000 0.468 207 A N 0.536 123.222 122.820 -0.224 0.000 1.858 207 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 207 A C 2.396 179.976 177.584 -0.007 0.000 1.190 207 A CA 2.310 54.207 52.037 -0.233 0.000 0.617 207 A CB -1.156 17.408 19.000 -0.727 0.000 0.827 207 A HN 0.602 nan 8.150 nan 0.000 0.443 208 A N -0.676 122.073 122.820 -0.117 0.000 1.917 208 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 208 A C 2.522 180.029 177.584 -0.128 0.000 1.182 208 A CA 2.496 54.365 52.037 -0.280 0.000 0.633 208 A CB -1.061 17.622 19.000 -0.528 0.000 0.819 208 A HN 0.668 nan 8.150 nan 0.000 0.448 209 S N -0.487 115.097 115.700 -0.193 0.000 2.356 209 S HA -0.150 4.320 4.470 -0.000 0.000 0.223 209 S C 2.033 176.675 174.600 0.070 0.000 1.032 209 S CA 2.242 60.419 58.200 -0.039 0.000 1.005 209 S CB -0.809 62.270 63.200 -0.202 0.000 0.867 209 S HN 0.982 nan 8.310 nan 0.000 0.449 210 V N 0.199 120.105 119.914 -0.014 0.000 2.488 210 V HA 0.241 4.361 4.120 -0.000 0.000 0.246 210 V C 2.610 178.661 176.094 -0.072 0.000 1.046 210 V CA 1.392 63.655 62.300 -0.062 0.000 1.053 210 V CB -1.631 30.166 31.823 -0.044 0.000 0.679 210 V HN 0.504 nan 8.190 nan 0.000 0.458 211 A N 1.875 124.695 122.820 0.000 0.000 1.898 211 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 211 A C 2.573 180.166 177.584 0.015 0.000 1.181 211 A CA 2.473 54.519 52.037 0.016 0.000 0.620 211 A CB -0.982 18.098 19.000 0.133 0.000 0.819 211 A HN 0.858 nan 8.150 nan 0.000 0.442 212 S N 0.322 116.059 115.700 0.061 0.000 2.345 212 S HA -0.106 4.364 4.470 -0.000 0.000 0.220 212 S C 1.933 176.522 174.600 -0.017 0.000 1.031 212 S CA 1.392 59.628 58.200 0.060 0.000 0.996 212 S CB -0.932 62.340 63.200 0.120 0.000 0.882 212 S HN 0.414 nan 8.310 nan 0.000 0.445 213 L N 1.988 123.165 121.223 -0.077 0.000 2.013 213 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 213 L C 3.073 179.767 176.870 -0.294 0.000 1.073 213 L CA 1.849 56.564 54.840 -0.210 0.000 0.753 213 L CB -1.312 40.567 42.059 -0.299 0.000 0.890 213 L HN 0.642 nan 8.230 nan 0.000 0.432 214 T N -3.653 110.624 114.554 -0.463 0.000 3.148 214 T HA -0.006 4.344 4.350 -0.000 0.000 0.253 214 T C 0.828 175.340 174.700 -0.313 0.000 1.134 214 T CA 0.312 61.905 62.100 -0.844 0.000 1.051 214 T CB -0.507 67.862 68.868 -0.831 0.000 0.959 214 T HN 0.416 nan 8.240 nan 0.000 0.525 215 N N 1.155 119.778 118.700 -0.128 0.000 2.641 215 N HA -0.180 4.560 4.740 -0.000 0.000 0.267 215 N C 0.179 175.660 175.510 -0.048 0.000 1.087 215 N CA 0.935 53.964 53.050 -0.034 0.000 0.731 215 N CB -1.848 36.655 38.487 0.025 0.000 0.886 215 N HN 0.887 nan 8.380 nan 0.000 0.547 216 I N -2.297 118.237 120.570 -0.059 0.000 4.225 216 I HA 0.362 4.532 4.170 -0.000 0.000 0.327 216 I C 0.127 176.201 176.117 -0.071 0.000 1.422 216 I CA -0.640 60.614 61.300 -0.078 0.000 1.150 216 I CB 0.160 38.104 38.000 -0.094 0.000 1.192 216 I HN 0.060 nan 8.210 nan 0.000 0.440 217 I N 4.210 124.774 120.570 -0.010 0.000 2.483 217 I HA 0.067 4.237 4.170 -0.000 0.000 0.291 217 I C 1.156 177.282 176.117 0.016 0.000 1.112 217 I CA 0.200 61.518 61.300 0.030 0.000 1.350 217 I CB 0.392 38.493 38.000 0.169 0.000 1.419 217 I HN 0.356 nan 8.210 nan 0.000 0.523 218 T N 4.408 118.955 114.554 -0.011 0.000 2.770 218 T HA 0.298 4.648 4.350 -0.000 0.000 0.281 218 T C -1.132 173.615 174.700 0.077 0.000 0.981 218 T CA -1.325 60.803 62.100 0.046 0.000 0.955 218 T CB 1.037 69.993 68.868 0.147 0.000 1.060 218 T HN 0.412 nan 8.240 nan 0.000 0.531 219 P HA 0.010 nan 4.420 nan 0.000 0.220 219 P C 0.667 178.030 177.300 0.106 0.000 1.152 219 P CA 1.099 64.254 63.100 0.093 0.000 0.812 219 P CB 0.025 31.771 31.700 0.078 0.000 0.792 220 D N -0.981 119.494 120.400 0.125 0.000 2.395 220 D HA -0.015 4.625 4.640 -0.000 0.000 0.213 220 D C 1.737 178.104 176.300 0.111 0.000 1.110 220 D CA -0.318 53.755 54.000 0.120 0.000 0.835 220 D CB -0.645 40.225 40.800 0.116 0.000 0.965 220 D HN -0.013 nan 8.370 nan 0.000 0.505 221 L N 0.353 121.586 121.223 0.016 0.000 1.971 221 L HA -0.035 4.305 4.340 -0.000 0.000 0.215 221 L C 1.125 177.795 176.870 -0.334 0.000 1.072 221 L CA 1.800 56.442 54.840 -0.331 0.000 0.758 221 L CB -0.867 40.789 42.059 -0.673 0.000 0.889 221 L HN -0.036 nan 8.230 nan 0.000 0.433 222 F N -0.222 119.781 119.950 0.087 0.000 2.798 222 F HA 0.245 4.772 4.527 -0.000 0.000 0.291 222 F C 0.722 176.557 175.800 0.058 0.000 1.174 222 F CA -0.610 57.461 58.000 0.118 0.000 1.392 222 F CB -0.477 38.599 39.000 0.126 0.000 0.966 222 F HN 0.082 nan 8.300 nan 0.000 0.509 223 E N 0.783 121.062 120.200 0.132 0.000 2.498 223 E HA 0.246 4.596 4.350 -0.000 0.000 0.252 223 E C 1.251 177.890 176.600 0.064 0.000 1.025 223 E CA 1.082 57.534 56.400 0.087 0.000 0.938 223 E CB 0.100 29.827 29.700 0.044 0.000 0.947 223 E HN 0.534 nan 8.360 nan 0.000 0.478 224 G N 3.295 112.146 108.800 0.086 0.000 2.184 224 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.264 224 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.264 224 G C 1.157 176.135 174.900 0.130 0.000 0.975 224 G CA 0.718 45.869 45.100 0.085 0.000 0.642 224 G HN 0.608 nan 8.290 nan 0.000 0.536 225 T N 0.574 115.226 114.554 0.164 0.000 2.821 225 T HA 0.196 4.546 4.350 -0.000 0.000 0.267 225 T C 2.746 177.578 174.700 0.220 0.000 1.046 225 T CA 2.081 64.317 62.100 0.227 0.000 1.139 225 T CB -0.287 68.802 68.868 0.367 0.000 0.871 225 T HN 1.123 nan 8.240 nan 0.000 0.454 226 A N 1.276 124.185 122.820 0.148 0.000 2.015 226 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 226 A C 2.159 179.802 177.584 0.099 0.000 1.163 226 A CA 1.358 53.454 52.037 0.099 0.000 0.646 226 A CB -0.370 18.664 19.000 0.057 0.000 0.806 226 A HN 0.394 nan 8.150 nan 0.000 0.448 227 E N -1.577 118.693 120.200 0.116 0.000 2.107 227 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 227 E C 1.519 178.180 176.600 0.102 0.000 0.982 227 E CA 0.961 57.413 56.400 0.086 0.000 0.809 227 E CB -0.276 29.472 29.700 0.080 0.000 0.756 227 E HN 0.832 nan 8.360 nan 0.000 0.459 228 W N 0.780 122.078 121.300 -0.003 0.000 2.379 228 W HA -0.048 4.612 4.660 -0.000 0.000 0.307 228 W C 1.634 178.141 176.519 -0.021 0.000 1.200 228 W CA 1.280 58.617 57.345 -0.012 0.000 1.297 228 W CB -0.119 29.338 29.460 -0.004 0.000 1.140 228 W HN -0.040 nan 8.180 nan 0.000 0.507 229 I N 0.804 121.533 120.570 0.264 0.000 2.335 229 I HA -0.319 3.851 4.170 -0.000 0.000 0.251 229 I C 2.439 178.496 176.117 -0.100 0.000 1.129 229 I CA 1.430 62.790 61.300 0.100 0.000 1.402 229 I CB -0.957 37.133 38.000 0.150 0.000 1.069 229 I HN 0.097 nan 8.210 nan 0.000 0.424 230 A N 0.407 123.180 122.820 -0.078 0.000 2.119 230 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 230 A C 2.295 179.775 177.584 -0.174 0.000 1.153 230 A CA 0.841 52.815 52.037 -0.105 0.000 0.692 230 A CB -0.371 18.596 19.000 -0.056 0.000 0.799 230 A HN 0.313 nan 8.150 nan 0.000 0.458 231 R N -1.187 119.154 120.500 -0.265 0.000 2.240 231 R HA -0.014 4.326 4.340 -0.000 0.000 0.203 231 R C 1.483 177.549 176.300 -0.389 0.000 1.011 231 R CA 0.950 56.859 56.100 -0.318 0.000 1.007 231 R CB -0.417 29.640 30.300 -0.405 0.000 0.911 231 R HN 0.583 nan 8.270 nan 0.000 0.468 232 C N 0.634 119.661 119.300 -0.455 0.000 2.481 232 C HA -0.008 4.452 4.460 -0.000 0.000 0.275 232 C C 1.426 176.233 174.990 -0.306 0.000 1.419 232 C CA -0.205 58.554 59.018 -0.431 0.000 1.773 232 C CB -0.789 26.683 27.740 -0.446 0.000 1.862 232 C HN 0.432 nan 8.230 nan 0.000 0.530 233 Q N 2.781 122.426 119.800 -0.259 0.000 2.286 233 Q HA 0.131 4.471 4.340 -0.000 0.000 0.267 233 Q C 0.195 176.061 176.000 -0.223 0.000 1.028 233 Q CA 0.191 55.844 55.803 -0.249 0.000 0.901 233 Q CB 0.475 29.098 28.738 -0.192 0.000 1.183 233 Q HN 0.711 nan 8.270 nan 0.000 0.392 234 N N 3.747 122.280 118.700 -0.279 0.000 2.725 234 N HA 0.117 4.857 4.740 -0.000 0.000 0.312 234 N C 0.811 176.203 175.510 -0.196 0.000 1.295 234 N CA -0.623 52.307 53.050 -0.200 0.000 0.914 234 N CB -0.336 38.008 38.487 -0.238 0.000 1.177 234 N HN 0.837 nan 8.380 nan 0.000 0.601 235 W N -0.550 120.689 121.300 -0.101 0.000 2.389 235 W HA -0.061 4.599 4.660 -0.000 0.000 0.267 235 W C 0.192 176.681 176.519 -0.049 0.000 1.219 235 W CA 0.771 58.079 57.345 -0.063 0.000 1.189 235 W CB -1.003 28.433 29.460 -0.040 0.000 1.129 235 W HN 0.592 nan 8.180 nan 0.000 0.581 236 E N 0.123 119.871 120.200 -0.753 0.000 2.442 236 E HA 0.191 4.541 4.350 -0.000 0.000 0.195 236 E C 2.042 178.442 176.600 -0.334 0.000 1.030 236 E CA 0.616 56.640 56.400 -0.626 0.000 0.869 236 E CB -0.256 28.909 29.700 -0.890 0.000 0.857 236 E HN 0.366 nan 8.360 nan 0.000 0.505 237 G N 1.035 109.626 108.800 -0.348 0.000 2.234 237 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.235 237 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.235 237 G C 0.552 175.193 174.900 -0.432 0.000 0.997 237 G CA -0.199 44.774 45.100 -0.211 0.000 0.623 237 G HN 0.518 nan 8.290 nan 0.000 0.514 238 G N -0.529 107.644 108.800 -1.045 0.000 2.522 238 G HA2 0.665 4.625 3.960 -0.000 0.000 0.304 238 G HA3 0.665 4.625 3.960 -0.000 0.000 0.304 238 G C -0.135 174.245 174.900 -0.867 0.000 1.210 238 G CA -0.688 43.482 45.100 -1.550 0.000 0.960 238 G HN 0.597 nan 8.290 nan 0.000 0.497 239 I N 0.142 120.302 120.570 -0.685 0.000 2.493 239 I HA 0.508 4.678 4.170 -0.000 0.000 0.298 239 I C 0.838 176.798 176.117 -0.262 0.000 0.998 239 I CA -0.706 60.372 61.300 -0.370 0.000 1.137 239 I CB 2.029 39.896 38.000 -0.222 0.000 1.310 239 I HN 0.590 nan 8.210 nan 0.000 0.445 240 G N 2.173 110.833 108.800 -0.233 0.000 2.601 240 G HA2 0.450 4.410 3.960 -0.000 0.000 0.317 240 G HA3 0.450 4.410 3.960 -0.000 0.000 0.317 240 G C 0.810 175.503 174.900 -0.345 0.000 1.246 240 G CA -0.220 44.773 45.100 -0.179 0.000 1.012 240 G HN 0.765 nan 8.290 nan 0.000 0.494 241 G N -1.430 106.990 108.800 -0.634 0.000 2.422 241 G HA2 0.236 4.196 3.960 -0.000 0.000 0.218 241 G HA3 0.236 4.196 3.960 -0.000 0.000 0.218 241 G C 0.629 175.251 174.900 -0.464 0.000 1.146 241 G CA 1.967 46.346 45.100 -1.201 0.000 0.769 241 G HN 1.529 nan 8.290 nan 0.000 0.547 242 V N -4.840 114.890 119.914 -0.307 0.000 3.147 242 V HA 0.639 4.759 4.120 -0.000 0.000 0.306 242 V C -3.036 172.853 176.094 -0.343 0.000 1.209 242 V CA -3.019 59.151 62.300 -0.218 0.000 1.023 242 V CB 1.751 33.582 31.823 0.013 0.000 1.059 242 V HN -0.133 nan 8.190 nan 0.000 0.435 243 P HA 0.352 nan 4.420 nan 0.000 0.262 243 P C 0.993 178.177 177.300 -0.193 0.000 1.182 243 P CA 2.103 64.979 63.100 -0.373 0.000 0.761 243 P CB 0.655 32.108 31.700 -0.410 0.000 0.795 244 G N 1.716 110.430 108.800 -0.143 0.000 2.232 244 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.226 244 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.226 244 G C 0.237 175.119 174.900 -0.029 0.000 0.996 244 G CA -0.411 44.654 45.100 -0.059 0.000 0.626 244 G HN 0.409 nan 8.290 nan 0.000 0.509 245 M N 1.168 120.721 119.600 -0.078 0.000 2.291 245 M HA 0.365 4.845 4.480 -0.000 0.000 0.324 245 M C 0.738 177.007 176.300 -0.052 0.000 1.148 245 M CA -0.508 54.762 55.300 -0.050 0.000 1.104 245 M CB 0.920 33.468 32.600 -0.088 0.000 1.483 245 M HN 0.363 nan 8.290 nan 0.000 0.467 246 E N 1.114 121.316 120.200 0.004 0.000 2.442 246 E HA 0.218 4.568 4.350 -0.000 0.000 0.262 246 E C -0.642 175.920 176.600 -0.063 0.000 1.004 246 E CA -0.364 56.029 56.400 -0.011 0.000 0.928 246 E CB 0.768 30.515 29.700 0.078 0.000 0.937 246 E HN 0.689 nan 8.360 nan 0.000 0.446 247 A N 5.062 127.746 122.820 -0.227 0.000 2.520 247 A HA 0.044 4.364 4.320 -0.000 0.000 0.245 247 A C -0.402 177.214 177.584 0.053 0.000 1.072 247 A CA 0.186 52.002 52.037 -0.369 0.000 0.761 247 A CB 0.249 18.648 19.000 -1.002 0.000 1.004 247 A HN 0.705 nan 8.150 nan 0.000 0.499 248 H N 1.728 120.809 119.070 0.017 0.000 2.771 248 H HA 0.391 4.947 4.556 -0.000 0.000 0.361 248 H C 1.135 176.626 175.328 0.271 0.000 1.108 248 H CA 0.146 56.314 56.048 0.200 0.000 1.201 248 H CB 1.798 31.691 29.762 0.219 0.000 1.681 248 H HN 0.648 nan 8.280 nan 0.000 0.534 249 G N 2.254 111.049 108.800 -0.008 0.000 2.442 249 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 249 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 249 G C 1.459 176.522 174.900 0.270 0.000 1.141 249 G CA 0.756 45.972 45.100 0.194 0.000 0.763 249 G HN 0.660 nan 8.290 nan 0.000 0.554 250 G N -0.619 108.325 108.800 0.241 0.000 2.448 250 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.218 250 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.218 250 G C 1.524 176.296 174.900 -0.214 0.000 1.135 250 G CA 0.489 45.410 45.100 -0.298 0.000 0.784 250 G HN 0.529 nan 8.290 nan 0.000 0.543 251 Y N 0.493 120.871 120.300 0.130 0.000 2.397 251 Y HA 0.004 4.554 4.550 -0.000 0.000 0.292 251 Y C 3.178 179.078 175.900 0.001 0.000 1.115 251 Y CA 0.962 59.068 58.100 0.010 0.000 1.208 251 Y CB 0.229 38.678 38.460 -0.018 0.000 1.046 251 Y HN 0.101 nan 8.280 nan 0.000 0.552 252 T N 0.473 115.144 114.554 0.194 0.000 2.867 252 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 252 T C 1.503 176.245 174.700 0.070 0.000 1.057 252 T CA 1.211 63.361 62.100 0.082 0.000 1.136 252 T CB -0.500 68.444 68.868 0.127 0.000 0.874 252 T HN 0.343 nan 8.240 nan 0.000 0.466 253 F N 1.212 121.164 119.950 0.002 0.000 2.146 253 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 253 F C 2.321 178.008 175.800 -0.188 0.000 1.096 253 F CA 0.497 58.461 58.000 -0.060 0.000 1.275 253 F CB -0.673 38.368 39.000 0.069 0.000 1.008 253 F HN 0.125 nan 8.300 nan 0.000 0.480 254 C N 0.859 120.034 119.300 -0.209 0.000 2.429 254 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 254 C C 3.084 177.961 174.990 -0.189 0.000 1.262 254 C CA 1.278 60.099 59.018 -0.327 0.000 1.733 254 C CB -1.872 25.872 27.740 0.007 0.000 2.010 254 C HN 0.728 nan 8.230 nan 0.000 0.483 255 G N 0.123 108.869 108.800 -0.091 0.000 2.434 255 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 255 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 255 G C 1.476 176.304 174.900 -0.120 0.000 1.202 255 G CA 0.896 45.963 45.100 -0.056 0.000 0.788 255 G HN 0.403 nan 8.290 nan 0.000 0.539 256 L N 1.644 122.766 121.223 -0.168 0.000 1.970 256 L HA 0.042 4.382 4.340 -0.000 0.000 0.212 256 L C 3.136 179.867 176.870 -0.232 0.000 1.071 256 L CA 2.476 57.215 54.840 -0.167 0.000 0.751 256 L CB -1.025 40.948 42.059 -0.143 0.000 0.889 256 L HN 0.264 nan 8.230 nan 0.000 0.432 257 A N -0.687 121.864 122.820 -0.447 0.000 1.948 257 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 257 A C 2.412 179.887 177.584 -0.182 0.000 1.177 257 A CA 2.157 53.933 52.037 -0.434 0.000 0.636 257 A CB -1.203 17.241 19.000 -0.926 0.000 0.815 257 A HN 0.642 nan 8.150 nan 0.000 0.449 258 A N -0.554 122.200 122.820 -0.110 0.000 1.930 258 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 258 A C 2.131 179.645 177.584 -0.117 0.000 1.175 258 A CA 1.345 53.346 52.037 -0.060 0.000 0.627 258 A CB -0.469 18.530 19.000 -0.001 0.000 0.815 258 A HN 0.473 nan 8.150 nan 0.000 0.443 259 L N -0.615 120.552 121.223 -0.093 0.000 2.156 259 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 259 L C 2.454 179.283 176.870 -0.068 0.000 1.095 259 L CA 0.643 55.440 54.840 -0.072 0.000 0.770 259 L CB -0.407 41.622 42.059 -0.050 0.000 0.914 259 L HN 0.234 nan 8.230 nan 0.000 0.439 260 V N 0.327 120.195 119.914 -0.078 0.000 2.343 260 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 260 V C 2.334 178.400 176.094 -0.046 0.000 1.051 260 V CA 1.742 64.013 62.300 -0.047 0.000 1.036 260 V CB -0.254 31.540 31.823 -0.049 0.000 0.654 260 V HN 0.303 nan 8.190 nan 0.000 0.451 261 I N -0.270 120.243 120.570 -0.095 0.000 2.127 261 I HA -0.271 3.899 4.170 -0.000 0.000 0.241 261 I C 2.155 178.223 176.117 -0.082 0.000 1.075 261 I CA 1.749 62.992 61.300 -0.094 0.000 1.334 261 I CB -0.383 37.513 38.000 -0.172 0.000 1.040 261 I HN 0.242 nan 8.210 nan 0.000 0.405 262 L N 0.629 121.773 121.223 -0.132 0.000 2.633 262 L HA -0.091 4.249 4.340 -0.000 0.000 0.235 262 L C 0.458 177.309 176.870 -0.031 0.000 1.163 262 L CA 0.523 55.300 54.840 -0.104 0.000 0.859 262 L CB -0.595 41.382 42.059 -0.136 0.000 0.973 262 L HN 0.311 nan 8.230 nan 0.000 0.451 263 K N 0.203 120.591 120.400 -0.020 0.000 3.125 263 K HA -0.202 4.118 4.320 -0.000 0.000 0.268 263 K C 0.118 176.721 176.600 0.005 0.000 1.078 263 K CA 0.592 56.882 56.287 0.005 0.000 0.775 263 K CB -1.432 31.080 32.500 0.021 0.000 1.253 263 K HN 0.352 nan 8.250 nan 0.000 0.486 264 K N -0.178 120.218 120.400 -0.006 0.000 2.734 264 K HA 0.055 4.375 4.320 -0.000 0.000 0.200 264 K C 0.236 176.832 176.600 -0.006 0.000 1.120 264 K CA -0.260 56.027 56.287 -0.001 0.000 1.067 264 K CB 0.671 33.172 32.500 0.002 0.000 0.771 264 K HN 0.119 nan 8.250 nan 0.000 0.481 265 E N 1.062 121.257 120.200 -0.008 0.000 2.147 265 E HA -0.218 4.132 4.350 -0.000 0.000 0.199 265 E C 1.338 177.934 176.600 -0.005 0.000 1.005 265 E CA 1.339 57.733 56.400 -0.010 0.000 0.810 265 E CB -0.094 29.607 29.700 0.001 0.000 0.736 265 E HN 0.160 nan 8.360 nan 0.000 0.460 266 R N 0.220 120.721 120.500 0.002 0.000 2.355 266 R HA 0.034 4.374 4.340 -0.000 0.000 0.219 266 R C 1.475 177.774 176.300 -0.001 0.000 1.107 266 R CA 0.700 56.802 56.100 0.003 0.000 1.021 266 R CB -0.069 30.235 30.300 0.007 0.000 0.852 266 R HN 0.008 nan 8.270 nan 0.000 0.475 267 S N -0.022 115.675 115.700 -0.005 0.000 2.607 267 S HA 0.110 4.580 4.470 -0.000 0.000 0.224 267 S C 0.387 174.976 174.600 -0.019 0.000 0.969 267 S CA 0.428 58.623 58.200 -0.007 0.000 0.927 267 S CB 0.069 63.268 63.200 -0.003 0.000 0.772 267 S HN 0.154 nan 8.310 nan 0.000 0.533 268 L N 0.917 122.128 121.223 -0.021 0.000 2.286 268 L HA 0.499 4.839 4.340 -0.000 0.000 0.265 268 L C 0.094 176.952 176.870 -0.020 0.000 1.012 268 L CA -1.034 53.787 54.840 -0.032 0.000 0.818 268 L CB 0.694 42.729 42.059 -0.041 0.000 1.337 268 L HN -0.092 nan 8.230 nan 0.000 0.438 269 N N 1.216 119.901 118.700 -0.024 0.000 2.558 269 N HA 0.220 4.960 4.740 -0.000 0.000 0.233 269 N C 0.449 175.960 175.510 0.002 0.000 1.038 269 N CA -0.061 52.985 53.050 -0.008 0.000 0.934 269 N CB 0.675 39.157 38.487 -0.009 0.000 1.175 269 N HN 0.580 nan 8.380 nan 0.000 0.512 270 L N 2.006 123.237 121.223 0.013 0.000 2.275 270 L HA -0.085 4.255 4.340 -0.000 0.000 0.215 270 L C 2.214 179.112 176.870 0.045 0.000 1.119 270 L CA 0.660 55.517 54.840 0.028 0.000 0.790 270 L CB -0.176 41.901 42.059 0.030 0.000 0.919 270 L HN 0.383 nan 8.230 nan 0.000 0.443 271 K N 0.508 120.933 120.400 0.041 0.000 1.967 271 K HA -0.123 4.197 4.320 -0.000 0.000 0.212 271 K C 2.412 179.052 176.600 0.066 0.000 1.044 271 K CA 1.860 58.178 56.287 0.052 0.000 0.942 271 K CB -0.661 31.865 32.500 0.043 0.000 0.726 271 K HN 0.366 nan 8.250 nan 0.000 0.440 272 S N 1.877 117.611 115.700 0.056 0.000 2.400 272 S HA -0.168 4.301 4.470 -0.000 0.000 0.232 272 S C 2.029 176.689 174.600 0.101 0.000 1.025 272 S CA 1.277 59.520 58.200 0.070 0.000 0.993 272 S CB -0.503 62.721 63.200 0.040 0.000 0.808 272 S HN 0.242 nan 8.310 nan 0.000 0.478 273 L N 1.044 122.313 121.223 0.076 0.000 2.046 273 L HA 0.148 4.488 4.340 -0.000 0.000 0.208 273 L C 2.202 179.193 176.870 0.202 0.000 1.077 273 L CA 1.503 56.411 54.840 0.113 0.000 0.747 273 L CB -1.222 40.869 42.059 0.054 0.000 0.896 273 L HN 0.382 nan 8.230 nan 0.000 0.432 274 L N 0.063 121.372 121.223 0.144 0.000 2.046 274 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 274 L C 2.685 179.646 176.870 0.151 0.000 1.077 274 L CA 2.310 57.238 54.840 0.146 0.000 0.747 274 L CB -1.082 41.048 42.059 0.118 0.000 0.896 274 L HN 0.674 nan 8.230 nan 0.000 0.432 275 Q N -1.391 118.495 119.800 0.143 0.000 2.119 275 Q HA -0.280 4.060 4.340 -0.000 0.000 0.201 275 Q C 2.219 178.303 176.000 0.140 0.000 0.972 275 Q CA 2.081 57.959 55.803 0.125 0.000 0.847 275 Q CB -0.877 27.928 28.738 0.111 0.000 0.903 275 Q HN 0.667 nan 8.270 nan 0.000 0.433 276 W N 1.095 122.398 121.300 0.005 0.000 2.380 276 W HA -0.185 4.474 4.660 -0.000 0.000 0.317 276 W C 2.238 178.762 176.519 0.008 0.000 1.196 276 W CA 2.113 59.446 57.345 -0.020 0.000 1.307 276 W CB -0.699 28.722 29.460 -0.065 0.000 1.157 276 W HN -0.008 nan 8.180 nan 0.000 0.483 277 V N 1.416 121.369 119.914 0.066 0.000 2.287 277 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 277 V C 2.508 178.558 176.094 -0.073 0.000 1.053 277 V CA 3.489 65.694 62.300 -0.158 0.000 1.027 277 V CB -1.278 30.586 31.823 0.068 0.000 0.646 277 V HN 0.496 nan 8.190 nan 0.000 0.447 278 T N -3.013 111.572 114.554 0.052 0.000 2.929 278 T HA -0.138 4.212 4.350 -0.000 0.000 0.271 278 T C 1.788 176.490 174.700 0.002 0.000 1.085 278 T CA 1.712 63.878 62.100 0.110 0.000 1.125 278 T CB -0.508 68.438 68.868 0.129 0.000 0.874 278 T HN 0.478 nan 8.240 nan 0.000 0.494 279 S N 0.992 116.633 115.700 -0.098 0.000 2.489 279 S HA 0.111 4.581 4.470 -0.000 0.000 0.228 279 S C 1.953 176.417 174.600 -0.226 0.000 0.995 279 S CA -0.029 58.085 58.200 -0.143 0.000 0.934 279 S CB -0.139 62.973 63.200 -0.147 0.000 0.771 279 S HN 0.445 nan 8.310 nan 0.000 0.522 280 R N 1.371 121.704 120.500 -0.278 0.000 2.307 280 R HA 0.124 4.464 4.340 -0.000 0.000 0.199 280 R C 0.910 177.056 176.300 -0.256 0.000 1.000 280 R CA 0.140 56.083 56.100 -0.261 0.000 1.023 280 R CB -0.343 29.772 30.300 -0.310 0.000 0.908 280 R HN 0.514 nan 8.270 nan 0.000 0.473 281 Q N 1.030 120.528 119.800 -0.503 0.000 2.267 281 Q HA 0.149 4.489 4.340 -0.000 0.000 0.255 281 Q C -0.514 175.227 176.000 -0.431 0.000 0.923 281 Q CA -0.357 54.871 55.803 -0.958 0.000 0.925 281 Q CB 0.817 28.897 28.738 -1.096 0.000 1.195 281 Q HN -0.150 nan 8.270 nan 0.000 0.417 282 M N 5.014 124.400 119.600 -0.357 0.000 2.220 282 M HA 0.059 4.539 4.480 -0.000 0.000 0.343 282 M C 1.196 177.456 176.300 -0.067 0.000 1.470 282 M CA 0.470 55.673 55.300 -0.162 0.000 1.161 282 M CB 0.166 32.691 32.600 -0.125 0.000 1.737 282 M HN 0.736 nan 8.290 nan 0.000 0.464 283 R N 1.977 122.462 120.500 -0.026 0.000 2.119 283 R HA -0.222 4.118 4.340 -0.000 0.000 0.246 283 R C 1.528 177.856 176.300 0.046 0.000 1.146 283 R CA 1.914 58.025 56.100 0.019 0.000 0.962 283 R CB -0.718 29.590 30.300 0.014 0.000 0.863 283 R HN 0.553 nan 8.270 nan 0.000 0.442 284 F N 1.600 121.519 119.950 -0.052 0.000 2.317 284 F HA 0.089 4.616 4.527 0.000 0.000 0.293 284 F C 1.766 177.737 175.800 0.285 0.000 1.085 284 F CA 1.063 59.041 58.000 -0.037 0.000 1.390 284 F CB 0.351 39.308 39.000 -0.072 0.000 1.077 284 F HN -0.037 nan 8.300 nan 0.000 0.517 285 E N -0.275 120.153 120.200 0.381 0.000 2.122 285 E HA 0.171 4.521 4.350 -0.000 0.000 0.190 285 E C 1.807 178.588 176.600 0.301 0.000 0.977 285 E CA 1.006 57.619 56.400 0.356 0.000 0.820 285 E CB -0.237 29.554 29.700 0.151 0.000 0.770 285 E HN 0.484 nan 8.360 nan 0.000 0.462 286 G N -0.010 108.850 108.800 0.100 0.000 2.284 286 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.230 286 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.230 286 G C 0.668 175.511 174.900 -0.096 0.000 1.021 286 G CA -0.121 45.017 45.100 0.063 0.000 0.619 286 G HN 0.599 nan 8.290 nan 0.000 0.510 287 G N -0.543 108.055 108.800 -0.337 0.000 2.543 287 G HA2 0.619 4.579 3.960 -0.000 0.000 0.290 287 G HA3 0.619 4.579 3.960 -0.000 0.000 0.290 287 G C -0.444 174.223 174.900 -0.389 0.000 1.310 287 G CA -0.716 44.132 45.100 -0.419 0.000 1.025 287 G HN 0.269 nan 8.290 nan 0.000 0.502 288 F N -0.665 119.163 119.950 -0.203 0.000 2.450 288 F HA 0.432 4.959 4.527 -0.000 0.000 0.328 288 F C 0.774 176.467 175.800 -0.179 0.000 1.068 288 F CA -0.521 57.373 58.000 -0.177 0.000 1.007 288 F CB 1.986 40.894 39.000 -0.153 0.000 1.251 288 F HN 0.486 nan 8.300 nan 0.000 0.492 289 Q N 0.245 120.011 119.800 -0.057 0.000 2.301 289 Q HA 0.571 4.911 4.340 -0.000 0.000 0.267 289 Q C 0.275 175.947 176.000 -0.548 0.000 1.035 289 Q CA -0.713 54.948 55.803 -0.238 0.000 0.856 289 Q CB 1.921 30.532 28.738 -0.212 0.000 1.337 289 Q HN 0.808 nan 8.270 nan 0.000 0.450 290 G N 1.519 109.726 108.800 -0.989 0.000 2.464 290 G HA2 0.030 3.990 3.960 -0.000 0.000 0.217 290 G HA3 0.030 3.990 3.960 -0.000 0.000 0.217 290 G C 0.304 174.802 174.900 -0.670 0.000 1.138 290 G CA 0.015 44.252 45.100 -1.437 0.000 0.793 290 G HN 0.471 nan 8.290 nan 0.000 0.539 291 R N -1.568 118.701 120.500 -0.385 0.000 2.698 291 R HA 0.346 4.686 4.340 -0.000 0.000 0.275 291 R C -1.087 175.156 176.300 -0.096 0.000 1.001 291 R CA -0.843 55.188 56.100 -0.115 0.000 0.896 291 R CB 1.652 31.937 30.300 -0.026 0.000 1.218 291 R HN 0.084 nan 8.270 nan 0.000 0.462 292 C N 2.806 122.099 119.300 -0.012 0.000 2.563 292 C HA 0.001 4.461 4.460 -0.000 0.000 0.411 292 C C 0.816 175.797 174.990 -0.015 0.000 1.386 292 C CA 0.658 59.655 59.018 -0.034 0.000 1.703 292 C CB -0.965 26.796 27.740 0.034 0.000 2.596 292 C HN 0.959 nan 8.230 nan 0.000 0.605 293 N N 2.215 120.894 118.700 -0.034 0.000 2.741 293 N HA -0.122 4.618 4.740 -0.000 0.000 0.250 293 N C -0.360 175.137 175.510 -0.022 0.000 1.115 293 N CA 1.189 54.229 53.050 -0.018 0.000 0.724 293 N CB -0.488 38.008 38.487 0.014 0.000 1.090 293 N HN 0.739 nan 8.380 nan 0.000 0.558 294 K N -0.080 120.291 120.400 -0.048 0.000 2.400 294 K HA 0.594 4.914 4.320 -0.000 0.000 0.249 294 K C 0.933 177.502 176.600 -0.052 0.000 1.069 294 K CA -0.548 55.714 56.287 -0.042 0.000 0.965 294 K CB 0.612 33.074 32.500 -0.063 0.000 1.365 294 K HN 0.019 nan 8.250 nan 0.000 0.539 295 L N 0.585 121.788 121.223 -0.033 0.000 2.365 295 L HA 0.437 4.777 4.340 -0.000 0.000 0.267 295 L C 0.184 177.037 176.870 -0.028 0.000 1.033 295 L CA -1.408 53.417 54.840 -0.026 0.000 0.802 295 L CB 1.093 43.154 42.059 0.003 0.000 1.267 295 L HN 0.188 nan 8.230 nan 0.000 0.457 296 V N -0.972 118.919 119.914 -0.039 0.000 3.096 296 V HA 0.278 4.398 4.120 -0.000 0.000 0.306 296 V C -0.468 175.666 176.094 0.065 0.000 1.088 296 V CA -0.176 62.084 62.300 -0.066 0.000 1.129 296 V CB 0.912 32.598 31.823 -0.229 0.000 1.014 296 V HN 0.797 nan 8.190 nan 0.000 0.486 297 D N 0.996 121.493 120.400 0.161 0.000 2.804 297 D HA 0.343 4.983 4.640 -0.000 0.000 0.209 297 D C 0.878 177.382 176.300 0.340 0.000 1.314 297 D CA 0.144 54.327 54.000 0.305 0.000 0.894 297 D CB 1.659 42.733 40.800 0.457 0.000 1.615 297 D HN 0.637 nan 8.370 nan 0.000 0.571 298 G N 1.912 110.924 108.800 0.353 0.000 2.507 298 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.221 298 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.221 298 G C 1.716 176.753 174.900 0.228 0.000 1.119 298 G CA 1.409 46.719 45.100 0.350 0.000 0.751 298 G HN 0.769 nan 8.290 nan 0.000 0.574 299 C N -1.764 117.644 119.300 0.181 0.000 2.432 299 C HA 0.155 4.615 4.460 -0.000 0.000 0.282 299 C C 2.270 177.128 174.990 -0.220 0.000 1.388 299 C CA 0.030 58.951 59.018 -0.162 0.000 1.777 299 C CB -1.555 25.950 27.740 -0.391 0.000 1.882 299 C HN 0.423 nan 8.230 nan 0.000 0.520 300 Y N 2.016 122.403 120.300 0.145 0.000 2.578 300 Y HA 0.015 4.564 4.550 -0.000 0.000 0.297 300 Y C 2.642 178.511 175.900 -0.052 0.000 1.176 300 Y CA 0.797 58.949 58.100 0.087 0.000 1.315 300 Y CB -0.271 38.239 38.460 0.083 0.000 1.031 300 Y HN 0.320 nan 8.280 nan 0.000 0.524 301 S N -0.353 115.414 115.700 0.112 0.000 2.447 301 S HA -0.153 4.317 4.470 -0.000 0.000 0.233 301 S C 1.492 176.044 174.600 -0.079 0.000 1.006 301 S CA 1.082 59.334 58.200 0.086 0.000 0.957 301 S CB -0.249 63.064 63.200 0.188 0.000 0.773 301 S HN 0.589 nan 8.310 nan 0.000 0.507 302 F N -0.118 119.674 119.950 -0.264 0.000 2.419 302 F HA 0.252 4.779 4.527 -0.000 0.000 0.283 302 F C 1.409 176.942 175.800 -0.447 0.000 1.044 302 F CA -0.177 57.594 58.000 -0.381 0.000 1.376 302 F CB -0.412 38.323 39.000 -0.441 0.000 1.131 302 F HN 0.138 nan 8.300 nan 0.000 0.585 303 W N 1.075 122.140 121.300 -0.392 0.000 2.363 303 W HA -0.165 4.495 4.660 -0.000 0.000 0.296 303 W C 2.288 178.595 176.519 -0.353 0.000 1.212 303 W CA 0.940 58.015 57.345 -0.450 0.000 1.260 303 W CB -0.282 29.079 29.460 -0.165 0.000 1.131 303 W HN 0.055 nan 8.180 nan 0.000 0.530 304 Q N -0.337 119.340 119.800 -0.204 0.000 2.178 304 Q HA 0.070 4.410 4.340 -0.000 0.000 0.195 304 Q C 2.431 177.894 176.000 -0.896 0.000 0.960 304 Q CA 1.343 56.848 55.803 -0.496 0.000 0.843 304 Q CB -1.103 27.228 28.738 -0.678 0.000 0.927 304 Q HN 0.272 nan 8.270 nan 0.000 0.487 305 A N 1.093 123.160 122.820 -1.255 0.000 1.969 305 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 305 A C 2.200 179.357 177.584 -0.712 0.000 1.169 305 A CA 1.577 52.845 52.037 -1.281 0.000 0.635 305 A CB -0.920 17.344 19.000 -1.226 0.000 0.810 305 A HN 0.427 nan 8.150 nan 0.000 0.445 306 G N -0.472 107.922 108.800 -0.677 0.000 2.559 306 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.216 306 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.216 306 G C 1.333 176.057 174.900 -0.293 0.000 1.126 306 G CA 0.731 45.484 45.100 -0.579 0.000 0.778 306 G HN 0.465 nan 8.290 nan 0.000 0.543 307 L N -0.392 120.687 121.223 -0.239 0.000 2.376 307 L HA 0.128 4.468 4.340 -0.000 0.000 0.219 307 L C 2.604 179.433 176.870 -0.068 0.000 1.133 307 L CA 0.137 54.922 54.840 -0.091 0.000 0.816 307 L CB -0.135 41.906 42.059 -0.031 0.000 0.933 307 L HN 0.223 nan 8.230 nan 0.000 0.449 308 L N -0.389 120.770 121.223 -0.106 0.000 2.068 308 L HA -0.061 4.279 4.340 -0.000 0.000 0.204 308 L C -0.244 176.574 176.870 -0.087 0.000 1.076 308 L CA 0.987 55.848 54.840 0.034 0.000 0.753 308 L CB -1.552 40.654 42.059 0.244 0.000 0.910 308 L HN 0.149 nan 8.230 nan 0.000 0.439 309 P HA -0.169 nan 4.420 nan 0.000 0.216 309 P C 1.921 179.136 177.300 -0.141 0.000 1.150 309 P CA 1.351 64.000 63.100 -0.751 0.000 0.837 309 P CB 0.071 31.218 31.700 -0.922 0.000 0.786 310 L N -1.454 119.718 121.223 -0.084 0.000 2.046 310 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 310 L C 2.309 179.214 176.870 0.058 0.000 1.077 310 L CA 1.404 56.246 54.840 0.005 0.000 0.747 310 L CB -0.936 41.105 42.059 -0.030 0.000 0.896 310 L HN -0.006 nan 8.230 nan 0.000 0.432 311 L N -1.390 119.876 121.223 0.070 0.000 2.551 311 L HA -0.161 4.179 4.340 -0.000 0.000 0.228 311 L C 2.272 179.246 176.870 0.174 0.000 1.153 311 L CA 0.306 55.212 54.840 0.110 0.000 0.851 311 L CB -0.372 41.755 42.059 0.113 0.000 0.959 311 L HN 0.286 nan 8.230 nan 0.000 0.451 312 H N 0.094 119.256 119.070 0.154 0.000 2.276 312 H HA -0.029 4.527 4.556 -0.000 0.000 0.307 312 H C 2.338 177.795 175.328 0.216 0.000 1.061 312 H CA 1.508 57.708 56.048 0.254 0.000 1.336 312 H CB 0.235 30.253 29.762 0.427 0.000 1.396 312 H HN 0.013 nan 8.280 nan 0.000 0.503 313 R N 0.213 120.897 120.500 0.307 0.000 2.143 313 R HA -0.246 4.094 4.340 -0.000 0.000 0.239 313 R C 2.500 178.912 176.300 0.187 0.000 1.126 313 R CA 1.535 57.782 56.100 0.244 0.000 0.927 313 R CB -0.749 29.660 30.300 0.181 0.000 0.860 313 R HN 0.370 nan 8.270 nan 0.000 0.433 314 A N 1.316 124.213 122.820 0.129 0.000 1.881 314 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 314 A C 2.277 179.906 177.584 0.077 0.000 1.215 314 A CA 1.894 53.981 52.037 0.085 0.000 0.648 314 A CB -0.930 18.106 19.000 0.061 0.000 0.832 314 A HN 0.263 nan 8.150 nan 0.000 0.455 315 L N -1.673 119.597 121.223 0.079 0.000 2.046 315 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 315 L C 2.758 179.673 176.870 0.074 0.000 1.077 315 L CA 1.701 56.574 54.840 0.055 0.000 0.747 315 L CB -0.836 41.239 42.059 0.027 0.000 0.896 315 L HN 0.707 nan 8.230 nan 0.000 0.432 316 H N 0.541 119.616 119.070 0.009 0.000 2.423 316 H HA -0.115 4.441 4.556 -0.000 0.000 0.297 316 H C 2.075 177.428 175.328 0.042 0.000 1.075 316 H CA 1.207 57.273 56.048 0.029 0.000 1.342 316 H CB 0.406 30.210 29.762 0.070 0.000 1.395 316 H HN 0.314 nan 8.280 nan 0.000 0.530 317 A N 1.387 124.196 122.820 -0.018 0.000 1.940 317 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 317 A C 2.048 179.581 177.584 -0.085 0.000 1.176 317 A CA 1.580 53.575 52.037 -0.072 0.000 0.631 317 A CB -0.461 18.553 19.000 0.024 0.000 0.814 317 A HN 0.770 nan 8.150 nan 0.000 0.446 318 Q N -0.813 118.961 119.800 -0.043 0.000 2.244 318 Q HA 0.409 4.749 4.340 -0.000 0.000 0.239 318 Q C 0.590 176.563 176.000 -0.045 0.000 0.890 318 Q CA 0.011 55.795 55.803 -0.033 0.000 0.964 318 Q CB -0.754 27.980 28.738 -0.006 0.000 1.076 318 Q HN 0.744 nan 8.270 nan 0.000 0.447 319 G N 1.968 110.706 108.800 -0.103 0.000 2.372 319 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.290 319 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.290 319 G C -0.768 174.122 174.900 -0.016 0.000 0.965 319 G CA 0.383 45.427 45.100 -0.094 0.000 1.263 319 G HN 0.569 nan 8.290 nan 0.000 0.498 320 D N 0.298 120.710 120.400 0.020 0.000 2.277 320 D HA 0.377 5.017 4.640 -0.000 0.000 0.249 320 D C -0.453 175.891 176.300 0.074 0.000 1.134 320 D CA -1.820 52.207 54.000 0.044 0.000 0.863 320 D CB 1.422 42.246 40.800 0.040 0.000 1.143 320 D HN 0.164 nan 8.370 nan 0.000 0.458 321 P HA 0.069 nan 4.420 nan 0.000 0.216 321 P C 0.811 178.144 177.300 0.055 0.000 1.156 321 P CA 0.524 63.659 63.100 0.059 0.000 0.855 321 P CB 0.190 31.915 31.700 0.041 0.000 0.786 322 A N -0.642 122.204 122.820 0.043 0.000 2.259 322 A HA -0.033 4.287 4.320 -0.000 0.000 0.212 322 A C 0.864 178.474 177.584 0.042 0.000 1.178 322 A CA 0.497 52.557 52.037 0.038 0.000 0.734 322 A CB -1.496 17.525 19.000 0.034 0.000 0.774 322 A HN 0.150 nan 8.150 nan 0.000 0.481 323 L N 0.474 121.725 121.223 0.046 0.000 2.349 323 L HA 0.191 4.531 4.340 -0.000 0.000 0.275 323 L C 1.072 178.012 176.870 0.116 0.000 1.115 323 L CA -0.416 54.453 54.840 0.048 0.000 0.820 323 L CB 1.199 43.225 42.059 -0.055 0.000 1.135 323 L HN 0.260 nan 8.230 nan 0.000 0.445 324 S N 2.796 118.591 115.700 0.158 0.000 2.576 324 S HA 0.143 4.613 4.470 -0.000 0.000 0.272 324 S C 0.792 175.433 174.600 0.068 0.000 1.352 324 S CA -0.331 57.896 58.200 0.046 0.000 1.021 324 S CB 0.561 63.719 63.200 -0.070 0.000 0.887 324 S HN 0.590 nan 8.310 nan 0.000 0.542 325 M N 3.007 122.533 119.600 -0.123 0.000 2.346 325 M HA 0.166 4.646 4.480 -0.000 0.000 0.280 325 M C 1.078 177.169 176.300 -0.349 0.000 1.075 325 M CA 0.156 55.429 55.300 -0.046 0.000 0.989 325 M CB -0.421 32.177 32.600 -0.004 0.000 1.447 325 M HN 0.820 nan 8.290 nan 0.000 0.511 326 S N -2.112 112.951 115.700 -1.062 0.000 2.648 326 S HA 0.254 4.724 4.470 -0.000 0.000 0.270 326 S C 0.485 173.690 174.600 -2.325 0.000 1.082 326 S CA -0.295 57.056 58.200 -1.416 0.000 1.116 326 S CB 0.863 63.520 63.200 -0.904 0.000 1.040 326 S HN 0.378 nan 8.310 nan 0.000 0.572 327 H N -0.929 116.955 119.070 -1.976 0.000 2.949 327 H HA 0.485 5.041 4.556 -0.000 0.000 0.356 327 H C -1.392 173.432 175.328 -0.841 0.000 1.212 327 H CA -1.109 54.116 56.048 -1.371 0.000 1.136 327 H CB 0.607 29.905 29.762 -0.773 0.000 1.869 327 H HN 0.311 nan 8.280 nan 0.000 0.556 328 W N 0.686 121.941 121.300 -0.074 0.000 2.359 328 W HA 0.336 4.996 4.660 -0.000 0.000 0.344 328 W C 0.948 177.493 176.519 0.042 0.000 1.170 328 W CA -0.775 56.618 57.345 0.080 0.000 1.296 328 W CB 0.805 30.312 29.460 0.078 0.000 1.197 328 W HN 0.283 nan 8.180 nan 0.000 0.618 329 M N 3.693 123.627 119.600 0.557 0.000 3.484 329 M HA 0.139 4.619 4.480 -0.000 0.000 0.196 329 M C -1.076 175.480 176.300 0.428 0.000 1.359 329 M CA 0.454 55.981 55.300 0.378 0.000 1.510 329 M CB -1.309 31.505 32.600 0.356 0.000 1.284 329 M HN 0.316 nan 8.290 nan 0.000 0.463 330 F N -3.519 116.568 119.950 0.229 0.000 2.713 330 F HA 0.405 4.932 4.527 -0.000 0.000 0.311 330 F C -0.802 175.068 175.800 0.116 0.000 1.141 330 F CA -1.520 56.609 58.000 0.214 0.000 0.939 330 F CB 0.902 40.138 39.000 0.392 0.000 1.325 330 F HN -0.035 nan 8.300 nan 0.000 0.453 331 H N 2.133 121.294 119.070 0.151 0.000 3.232 331 H HA 0.204 4.760 4.556 -0.000 0.000 0.254 331 H C 0.829 176.095 175.328 -0.104 0.000 1.213 331 H CA 0.467 56.441 56.048 -0.123 0.000 1.503 331 H CB 0.949 30.620 29.762 -0.152 0.000 1.563 331 H HN 0.755 nan 8.280 nan 0.000 0.490 332 Q N 2.369 121.946 119.800 -0.371 0.000 2.124 332 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 332 Q C 2.167 178.194 176.000 0.044 0.000 0.977 332 Q CA 1.521 57.186 55.803 -0.230 0.000 0.850 332 Q CB 0.142 28.654 28.738 -0.376 0.000 0.901 332 Q HN 0.743 nan 8.270 nan 0.000 0.429 333 Q N -0.103 119.708 119.800 0.018 0.000 1.967 333 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 333 Q C 2.084 178.160 176.000 0.127 0.000 0.985 333 Q CA 1.446 57.291 55.803 0.070 0.000 0.839 333 Q CB -0.235 28.526 28.738 0.038 0.000 0.906 333 Q HN 0.422 nan 8.270 nan 0.000 0.423 334 A N 0.940 123.828 122.820 0.113 0.000 1.917 334 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 334 A C 2.002 179.701 177.584 0.192 0.000 1.182 334 A CA 1.628 53.691 52.037 0.044 0.000 0.633 334 A CB -0.840 18.043 19.000 -0.194 0.000 0.819 334 A HN 0.504 nan 8.150 nan 0.000 0.448 335 L N -0.501 120.890 121.223 0.280 0.000 2.141 335 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 335 L C 2.346 179.414 176.870 0.331 0.000 1.094 335 L CA 2.070 57.127 54.840 0.362 0.000 0.763 335 L CB -0.448 41.930 42.059 0.532 0.000 0.908 335 L HN 0.499 nan 8.230 nan 0.000 0.437 336 Q N -0.888 119.063 119.800 0.252 0.000 2.187 336 Q HA -0.131 4.209 4.340 -0.000 0.000 0.199 336 Q C 1.951 178.039 176.000 0.148 0.000 0.957 336 Q CA 1.322 57.236 55.803 0.186 0.000 0.857 336 Q CB 0.041 28.858 28.738 0.131 0.000 0.929 336 Q HN 0.639 nan 8.270 nan 0.000 0.453 337 E N 0.083 120.368 120.200 0.142 0.000 2.028 337 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 337 E C 1.670 178.372 176.600 0.170 0.000 0.984 337 E CA 0.862 57.325 56.400 0.103 0.000 0.800 337 E CB -0.187 29.526 29.700 0.022 0.000 0.758 337 E HN 0.271 nan 8.360 nan 0.000 0.448 338 Y N 2.061 122.465 120.300 0.174 0.000 2.040 338 Y HA -0.320 4.230 4.550 -0.000 0.000 0.275 338 Y C 2.025 178.016 175.900 0.153 0.000 1.171 338 Y CA 1.839 60.060 58.100 0.202 0.000 1.123 338 Y CB -0.395 38.171 38.460 0.176 0.000 0.963 338 Y HN -0.036 nan 8.280 nan 0.000 0.493 339 I N -0.421 120.194 120.570 0.075 0.000 2.099 339 I HA -0.364 3.806 4.170 -0.000 0.000 0.239 339 I C 2.476 178.575 176.117 -0.031 0.000 1.066 339 I CA 1.775 63.080 61.300 0.008 0.000 1.324 339 I CB -0.766 37.323 38.000 0.147 0.000 1.037 339 I HN 0.281 nan 8.210 nan 0.000 0.401 340 L N -0.263 120.981 121.223 0.035 0.000 2.017 340 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 340 L C 2.690 179.576 176.870 0.028 0.000 1.073 340 L CA 1.588 56.454 54.840 0.044 0.000 0.745 340 L CB -0.385 41.709 42.059 0.059 0.000 0.894 340 L HN 0.287 nan 8.230 nan 0.000 0.432 341 M N -1.654 117.964 119.600 0.030 0.000 2.160 341 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 341 M C 2.257 178.527 176.300 -0.050 0.000 1.073 341 M CA 1.377 56.716 55.300 0.065 0.000 1.142 341 M CB -0.192 32.533 32.600 0.208 0.000 1.358 341 M HN 0.377 nan 8.290 nan 0.000 0.422 342 C N -1.221 117.949 119.300 -0.217 0.000 2.551 342 C HA 0.073 4.533 4.460 -0.000 0.000 0.277 342 C C 2.062 176.851 174.990 -0.334 0.000 1.349 342 C CA -0.339 58.466 59.018 -0.355 0.000 1.750 342 C CB -0.569 26.802 27.740 -0.615 0.000 2.058 342 C HN 0.587 nan 8.230 nan 0.000 0.518 343 C N 0.763 119.870 119.300 -0.323 0.000 2.688 343 C HA 0.236 4.696 4.460 -0.000 0.000 0.297 343 C C 0.583 175.518 174.990 -0.092 0.000 1.308 343 C CA -0.177 58.733 59.018 -0.180 0.000 1.726 343 C CB -2.286 25.383 27.740 -0.118 0.000 1.982 343 C HN 0.614 nan 8.230 nan 0.000 0.604 344 Q N 0.352 120.117 119.800 -0.058 0.000 2.271 344 Q HA 0.437 4.777 4.340 -0.000 0.000 0.258 344 Q C -0.684 175.321 176.000 0.009 0.000 0.936 344 Q CA -0.156 55.660 55.803 0.020 0.000 0.909 344 Q CB 1.136 29.929 28.738 0.092 0.000 1.253 344 Q HN 0.534 nan 8.270 nan 0.000 0.440 345 C N 6.616 125.932 119.300 0.027 0.000 2.347 345 C HA 0.440 4.900 4.460 -0.000 0.000 0.353 345 C C -1.449 173.546 174.990 0.009 0.000 1.273 345 C CA -2.010 56.989 59.018 -0.031 0.000 1.861 345 C CB 0.223 27.888 27.740 -0.126 0.000 2.420 345 C HN 0.829 nan 8.230 nan 0.000 0.542 346 P HA -0.137 nan 4.420 nan 0.000 0.216 346 P C 1.266 178.548 177.300 -0.030 0.000 1.157 346 P CA 2.407 65.491 63.100 -0.028 0.000 0.880 346 P CB 0.067 31.745 31.700 -0.037 0.000 0.791 347 A N -1.421 121.369 122.820 -0.051 0.000 2.209 347 A HA 0.403 4.723 4.320 -0.000 0.000 0.212 347 A C 1.070 178.617 177.584 -0.062 0.000 1.158 347 A CA 1.043 53.048 52.037 -0.054 0.000 0.742 347 A CB -1.086 17.867 19.000 -0.079 0.000 0.790 347 A HN 0.375 nan 8.150 nan 0.000 0.472 348 G N -3.193 105.583 108.800 -0.040 0.000 2.525 348 G HA2 0.543 4.503 3.960 -0.000 0.000 0.685 348 G HA3 0.543 4.503 3.960 -0.000 0.000 0.685 348 G C 0.338 175.084 174.900 -0.257 0.000 1.285 348 G CA -0.179 44.972 45.100 0.086 0.000 0.849 348 G HN 2.394 nan 8.290 nan 0.000 0.653 349 G N -0.560 108.205 108.800 -0.058 0.000 2.712 349 G HA2 0.367 4.327 3.960 -0.000 0.000 0.686 349 G HA3 0.367 4.327 3.960 -0.000 0.000 0.686 349 G C -0.486 174.266 174.900 -0.246 0.000 1.321 349 G CA -0.190 44.782 45.100 -0.214 0.000 0.813 349 G HN 1.570 nan 8.290 nan 0.000 0.599 350 L N 0.342 121.462 121.223 -0.171 0.000 2.298 350 L HA 0.949 5.289 4.340 -0.000 0.000 0.268 350 L C 0.626 177.451 176.870 -0.075 0.000 1.010 350 L CA -0.673 54.086 54.840 -0.136 0.000 0.812 350 L CB 1.245 43.227 42.059 -0.129 0.000 1.331 350 L HN 1.142 nan 8.230 nan 0.000 0.450 351 L N -2.533 118.638 121.223 -0.086 0.000 2.630 351 L HA 0.585 4.925 4.340 -0.000 0.000 0.258 351 L C 0.601 177.326 176.870 -0.242 0.000 1.072 351 L CA -0.638 54.092 54.840 -0.185 0.000 0.885 351 L CB 0.379 42.328 42.059 -0.184 0.000 1.502 351 L HN 0.406 nan 8.230 nan 0.000 0.406 352 D N 0.427 120.492 120.400 -0.559 0.000 2.108 352 D HA -0.156 4.484 4.640 -0.000 0.000 0.190 352 D C 0.066 176.369 176.300 0.005 0.000 0.995 352 D CA 2.621 56.421 54.000 -0.333 0.000 0.834 352 D CB 0.347 40.938 40.800 -0.347 0.000 0.967 352 D HN 0.748 nan 8.370 nan 0.000 0.446 353 K N -1.876 118.508 120.400 -0.026 0.000 2.617 353 K HA 0.438 4.758 4.320 -0.000 0.000 0.293 353 K C -2.922 173.655 176.600 -0.039 0.000 1.034 353 K CA -1.447 54.873 56.287 0.054 0.000 0.884 353 K CB 1.463 34.041 32.500 0.129 0.000 1.541 353 K HN -0.228 nan 8.250 nan 0.000 0.409 354 P HA -0.015 nan 4.420 nan 0.000 0.264 354 P C 0.529 177.791 177.300 -0.064 0.000 1.193 354 P CA 1.616 64.669 63.100 -0.079 0.000 0.763 354 P CB 0.703 32.346 31.700 -0.094 0.000 0.810 355 G N 2.444 111.202 108.800 -0.071 0.000 2.399 355 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 355 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 355 G C 0.177 175.038 174.900 -0.065 0.000 1.096 355 G CA -0.334 44.729 45.100 -0.061 0.000 0.650 355 G HN 0.528 nan 8.290 nan 0.000 0.512 356 K N 1.720 122.076 120.400 -0.074 0.000 2.336 356 K HA 0.505 4.825 4.320 -0.000 0.000 0.262 356 K C 0.611 177.149 176.600 -0.103 0.000 0.992 356 K CA 0.201 56.434 56.287 -0.090 0.000 0.927 356 K CB 0.703 33.127 32.500 -0.127 0.000 0.956 356 K HN 0.328 nan 8.250 nan 0.000 0.495 357 S N 0.862 116.504 115.700 -0.097 0.000 2.632 357 S HA 0.254 4.724 4.470 -0.000 0.000 0.271 357 S C 0.310 174.846 174.600 -0.106 0.000 1.260 357 S CA -0.806 57.338 58.200 -0.093 0.000 1.010 357 S CB 0.950 64.106 63.200 -0.073 0.000 0.965 357 S HN 0.520 nan 8.310 nan 0.000 0.534 358 R N 0.770 121.204 120.500 -0.109 0.000 2.459 358 R HA 0.545 4.885 4.340 -0.000 0.000 0.281 358 R C -1.262 175.010 176.300 -0.046 0.000 1.050 358 R CA -0.471 55.564 56.100 -0.108 0.000 1.055 358 R CB 0.201 30.368 30.300 -0.221 0.000 1.045 358 R HN 0.777 nan 8.270 nan 0.000 0.495 359 D N 0.582 120.982 120.400 0.000 0.000 2.653 359 D HA 0.133 4.773 4.640 -0.000 0.000 0.258 359 D C -0.298 175.930 176.300 -0.120 0.000 1.252 359 D CA -0.856 53.102 54.000 -0.071 0.000 0.777 359 D CB 0.261 41.099 40.800 0.064 0.000 1.339 359 D HN 0.399 nan 8.370 nan 0.000 0.422 360 F N -0.852 119.196 119.950 0.163 0.000 2.365 360 F HA -0.035 4.492 4.527 0.000 0.000 0.300 360 F C 1.800 177.386 175.800 -0.357 0.000 1.090 360 F CA 0.336 58.325 58.000 -0.020 0.000 1.408 360 F CB -0.312 38.754 39.000 0.109 0.000 1.060 360 F HN 0.441 nan 8.300 nan 0.000 0.534 361 Y N 0.418 120.311 120.300 -0.678 0.000 2.184 361 Y HA -0.181 4.369 4.550 -0.000 0.000 0.290 361 Y C 2.318 177.917 175.900 -0.502 0.000 1.129 361 Y CA 1.750 59.152 58.100 -1.162 0.000 1.144 361 Y CB -0.857 36.907 38.460 -1.160 0.000 0.995 361 Y HN 0.025 nan 8.280 nan 0.000 0.513 362 H N -1.057 117.807 119.070 -0.344 0.000 2.462 362 H HA -0.062 4.493 4.556 -0.000 0.000 0.292 362 H C 2.137 177.317 175.328 -0.247 0.000 1.049 362 H CA 1.811 57.683 56.048 -0.293 0.000 1.334 362 H CB -0.128 29.581 29.762 -0.088 0.000 1.404 362 H HN 0.296 nan 8.280 nan 0.000 0.544 363 T N -0.485 114.013 114.554 -0.093 0.000 2.674 363 T HA -0.236 4.114 4.350 -0.000 0.000 0.265 363 T C 2.332 176.906 174.700 -0.209 0.000 1.039 363 T CA 1.406 63.453 62.100 -0.088 0.000 1.150 363 T CB -0.716 68.197 68.868 0.075 0.000 0.864 363 T HN 0.596 nan 8.240 nan 0.000 0.427 364 C N 0.538 119.642 119.300 -0.327 0.000 2.422 364 C HA -0.077 4.383 4.460 -0.000 0.000 0.279 364 C C 2.267 176.821 174.990 -0.727 0.000 1.305 364 C CA 0.442 59.159 59.018 -0.503 0.000 1.757 364 C CB -1.538 25.869 27.740 -0.555 0.000 1.962 364 C HN 0.645 nan 8.230 nan 0.000 0.499 365 Y N -0.926 119.104 120.300 -0.450 0.000 2.476 365 Y HA 0.083 4.633 4.550 -0.000 0.000 0.283 365 Y C 2.821 178.567 175.900 -0.256 0.000 1.109 365 Y CA 0.985 58.795 58.100 -0.483 0.000 1.246 365 Y CB -0.394 37.596 38.460 -0.785 0.000 1.068 365 Y HN 0.343 nan 8.280 nan 0.000 0.552 366 C N -0.044 119.214 119.300 -0.070 0.000 2.466 366 C HA -0.107 4.353 4.460 -0.000 0.000 0.278 366 C C 2.633 177.627 174.990 0.007 0.000 1.288 366 C CA 0.825 59.855 59.018 0.020 0.000 1.722 366 C CB -1.102 26.650 27.740 0.020 0.000 2.017 366 C HN 0.515 nan 8.230 nan 0.000 0.488 367 L N 0.359 121.539 121.223 -0.072 0.000 2.017 367 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 367 L C 2.680 179.528 176.870 -0.037 0.000 1.073 367 L CA 1.492 56.294 54.840 -0.064 0.000 0.745 367 L CB -0.837 41.138 42.059 -0.140 0.000 0.894 367 L HN 0.278 nan 8.230 nan 0.000 0.432 368 S N 0.049 115.684 115.700 -0.108 0.000 2.383 368 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 368 S C 1.933 176.640 174.600 0.177 0.000 1.030 368 S CA 1.345 59.520 58.200 -0.042 0.000 1.002 368 S CB -0.525 62.479 63.200 -0.325 0.000 0.829 368 S HN 0.637 nan 8.310 nan 0.000 0.467 369 G N 0.995 109.902 108.800 0.179 0.000 2.421 369 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.217 369 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.217 369 G C 1.337 176.383 174.900 0.245 0.000 1.143 369 G CA 0.448 45.683 45.100 0.225 0.000 0.784 369 G HN 0.403 nan 8.290 nan 0.000 0.541 370 L N 1.179 122.520 121.223 0.197 0.000 2.017 370 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 370 L C 2.872 179.884 176.870 0.237 0.000 1.073 370 L CA 2.429 57.389 54.840 0.200 0.000 0.745 370 L CB -0.853 41.289 42.059 0.138 0.000 0.894 370 L HN 0.219 nan 8.230 nan 0.000 0.432 371 S N -0.900 114.948 115.700 0.246 0.000 2.382 371 S HA -0.137 4.333 4.470 -0.000 0.000 0.228 371 S C 2.036 176.918 174.600 0.470 0.000 1.027 371 S CA 1.220 59.638 58.200 0.364 0.000 0.991 371 S CB -0.322 63.040 63.200 0.271 0.000 0.823 371 S HN 0.405 nan 8.310 nan 0.000 0.469 372 I N 1.891 122.703 120.570 0.403 0.000 2.202 372 I HA -0.098 4.072 4.170 -0.000 0.000 0.242 372 I C 2.847 179.319 176.117 0.592 0.000 1.091 372 I CA 1.418 62.987 61.300 0.448 0.000 1.368 372 I CB -1.787 36.397 38.000 0.307 0.000 1.058 372 I HN 0.379 nan 8.210 nan 0.000 0.410 373 A N 0.025 123.170 122.820 0.542 0.000 2.019 373 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 373 A C 2.158 179.895 177.584 0.254 0.000 1.164 373 A CA 1.433 53.770 52.037 0.500 0.000 0.644 373 A CB -0.533 18.747 19.000 0.467 0.000 0.805 373 A HN 0.565 nan 8.150 nan 0.000 0.449 374 Q N -1.046 118.849 119.800 0.158 0.000 2.398 374 Q HA 0.041 4.381 4.340 -0.000 0.000 0.204 374 Q C -0.360 175.476 176.000 -0.273 0.000 0.932 374 Q CA 0.466 56.183 55.803 -0.143 0.000 0.916 374 Q CB 0.231 28.728 28.738 -0.402 0.000 1.024 374 Q HN 0.768 nan 8.270 nan 0.000 0.504 375 H N -0.791 118.448 119.070 0.282 0.000 2.658 375 H HA 0.245 4.801 4.556 -0.000 0.000 0.337 375 H C -1.478 174.040 175.328 0.316 0.000 1.009 375 H CA -0.615 55.587 56.048 0.257 0.000 1.231 375 H CB 1.042 30.938 29.762 0.223 0.000 1.508 375 H HN 0.005 nan 8.280 nan 0.000 0.517 376 F N 1.656 121.597 119.950 -0.016 0.000 2.523 376 F HA 0.682 5.208 4.527 -0.000 0.000 0.329 376 F C -0.166 175.487 175.800 -0.244 0.000 1.061 376 F CA -0.216 57.469 58.000 -0.526 0.000 0.967 376 F CB 2.092 40.544 39.000 -0.914 0.000 1.218 376 F HN 0.613 nan 8.300 nan 0.000 0.480 377 G N 0.527 108.404 108.800 -1.539 0.000 2.677 377 G HA2 0.460 4.420 3.960 -0.000 0.000 0.291 377 G HA3 0.460 4.420 3.960 -0.000 0.000 0.291 377 G C -1.475 172.719 174.900 -1.176 0.000 1.435 377 G CA -0.443 44.168 45.100 -0.815 0.000 0.826 377 G HN 0.874 nan 8.290 nan 0.000 0.491 378 S N -0.552 114.881 115.700 -0.446 0.000 2.619 378 S HA 0.483 4.953 4.470 -0.000 0.000 0.179 378 S C 0.855 175.381 174.600 -0.124 0.000 0.810 378 S CA 0.988 59.044 58.200 -0.240 0.000 0.898 378 S CB -0.843 62.350 63.200 -0.012 0.000 1.650 378 S HN 2.707 nan 8.310 nan 0.000 0.554 379 G N 1.764 110.512 108.800 -0.087 0.000 3.626 379 G HA2 0.016 3.976 3.960 -0.000 0.000 0.241 379 G HA3 0.016 3.976 3.960 -0.000 0.000 0.241 379 G C 0.558 175.452 174.900 -0.010 0.000 1.824 379 G CA 0.314 45.399 45.100 -0.025 0.000 1.511 379 G HN 1.650 nan 8.290 nan 0.000 0.600 380 A N -0.115 122.702 122.820 -0.004 0.000 2.661 380 A HA 0.688 5.008 4.320 -0.000 0.000 0.278 380 A C 0.702 178.291 177.584 0.008 0.000 1.090 380 A CA 0.448 52.487 52.037 0.004 0.000 0.969 380 A CB 0.018 19.025 19.000 0.012 0.000 1.240 380 A HN 0.424 nan 8.150 nan 0.000 0.578 381 M N 0.305 119.913 119.600 0.014 0.000 2.288 381 M HA 0.458 4.938 4.480 -0.000 0.000 0.334 381 M C -0.581 175.754 176.300 0.059 0.000 1.150 381 M CA -0.207 55.126 55.300 0.056 0.000 1.118 381 M CB 1.097 33.786 32.600 0.148 0.000 1.501 381 M HN 0.046 nan 8.290 nan 0.000 0.462 382 L N 3.432 124.706 121.223 0.085 0.000 2.435 382 L HA 0.159 4.499 4.340 -0.000 0.000 0.259 382 L C -0.753 176.186 176.870 0.113 0.000 1.563 382 L CA 0.010 54.906 54.840 0.092 0.000 0.789 382 L CB -0.171 41.916 42.059 0.047 0.000 0.989 382 L HN 0.716 nan 8.230 nan 0.000 0.522 383 H N 1.473 120.561 119.070 0.029 0.000 2.882 383 H HA 0.312 4.868 4.556 -0.000 0.000 0.258 383 H C -0.687 174.610 175.328 -0.052 0.000 1.579 383 H CA -0.267 55.720 56.048 -0.100 0.000 1.340 383 H CB 0.285 29.831 29.762 -0.360 0.000 1.645 383 H HN 0.299 nan 8.280 nan 0.000 0.541 384 D N 2.565 123.108 120.400 0.240 0.000 2.372 384 D HA 0.122 4.762 4.640 -0.000 0.000 0.243 384 D C -0.061 176.349 176.300 0.182 0.000 1.121 384 D CA -0.164 53.920 54.000 0.140 0.000 0.898 384 D CB 1.751 42.596 40.800 0.076 0.000 1.202 384 D HN 0.163 nan 8.370 nan 0.000 0.428 385 V N 2.189 122.129 119.914 0.044 0.000 2.398 385 V HA 0.190 4.310 4.120 -0.000 0.000 0.282 385 V C -0.330 175.750 176.094 -0.023 0.000 1.014 385 V CA -0.758 61.569 62.300 0.044 0.000 0.838 385 V CB 1.714 33.529 31.823 -0.015 0.000 1.018 385 V HN 0.244 nan 8.190 nan 0.000 0.432 386 V N 5.847 125.752 119.914 -0.015 0.000 2.347 386 V HA 0.442 4.562 4.120 -0.000 0.000 0.280 386 V C 0.234 176.325 176.094 -0.004 0.000 1.021 386 V CA -0.509 61.778 62.300 -0.022 0.000 0.847 386 V CB 1.498 33.308 31.823 -0.021 0.000 0.990 386 V HN 0.782 nan 8.190 nan 0.000 0.444 387 M N 4.465 124.067 119.600 0.004 0.000 2.217 387 M HA 0.592 5.072 4.480 -0.000 0.000 0.354 387 M C 0.888 177.188 176.300 0.000 0.000 1.225 387 M CA 1.316 56.618 55.300 0.003 0.000 1.137 387 M CB 0.262 32.871 32.600 0.016 0.000 1.576 387 M HN 1.040 nan 8.290 nan 0.000 0.461 388 G N 2.313 111.105 108.800 -0.013 0.000 2.601 388 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.252 388 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.252 388 G C -0.767 174.128 174.900 -0.008 0.000 1.294 388 G CA -0.650 44.441 45.100 -0.016 0.000 0.912 388 G HN 0.817 nan 8.290 nan 0.000 0.574 389 V N 3.459 123.370 119.914 -0.005 0.000 2.644 389 V HA 0.054 4.174 4.120 -0.000 0.000 0.303 389 V C 0.176 176.272 176.094 0.003 0.000 1.058 389 V CA 0.829 63.129 62.300 -0.001 0.000 1.228 389 V CB 0.926 32.750 31.823 0.002 0.000 0.861 389 V HN 0.733 nan 8.190 nan 0.000 0.484 390 P HA -0.103 nan 4.420 nan 0.000 0.236 390 P C 0.748 178.055 177.300 0.012 0.000 1.172 390 P CA 0.766 63.870 63.100 0.005 0.000 0.759 390 P CB 0.465 32.166 31.700 0.002 0.000 0.843 391 E N -0.268 119.937 120.200 0.010 0.000 2.489 391 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 391 E C 1.460 178.072 176.600 0.020 0.000 1.057 391 E CA 0.320 56.727 56.400 0.010 0.000 0.866 391 E CB -0.797 28.904 29.700 0.002 0.000 0.916 391 E HN 0.436 nan 8.360 nan 0.000 0.500 392 N N -0.395 118.319 118.700 0.024 0.000 2.494 392 N HA -0.033 4.707 4.740 -0.000 0.000 0.182 392 N C 0.263 175.804 175.510 0.051 0.000 1.076 392 N CA -0.151 52.921 53.050 0.037 0.000 0.908 392 N CB 0.604 39.111 38.487 0.033 0.000 0.967 392 N HN -0.007 nan 8.380 nan 0.000 0.449 393 V N 2.466 122.410 119.914 0.050 0.000 2.585 393 V HA 0.112 4.232 4.120 -0.000 0.000 0.296 393 V C -0.189 175.985 176.094 0.133 0.000 1.035 393 V CA 0.005 62.354 62.300 0.082 0.000 1.084 393 V CB 0.221 32.097 31.823 0.087 0.000 0.953 393 V HN 0.050 nan 8.190 nan 0.000 0.483 394 L N 5.710 127.066 121.223 0.222 0.000 2.332 394 L HA 0.555 4.895 4.340 -0.000 0.000 0.269 394 L C 0.159 177.135 176.870 0.178 0.000 1.016 394 L CA -1.011 53.937 54.840 0.179 0.000 0.809 394 L CB 1.232 43.378 42.059 0.145 0.000 1.280 394 L HN 0.494 nan 8.230 nan 0.000 0.447 395 Q N 0.946 120.771 119.800 0.042 0.000 2.474 395 Q HA 0.234 4.574 4.340 -0.000 0.000 0.256 395 Q C -2.242 173.703 176.000 -0.092 0.000 1.048 395 Q CA -1.448 54.335 55.803 -0.032 0.000 0.922 395 Q CB 0.249 28.970 28.738 -0.029 0.000 1.288 395 Q HN 0.272 nan 8.270 nan 0.000 0.484 396 P HA 0.199 nan 4.420 nan 0.000 0.276 396 P C -0.735 176.588 177.300 0.039 0.000 1.244 396 P CA -0.268 62.736 63.100 -0.161 0.000 0.801 396 P CB 0.825 32.408 31.700 -0.195 0.000 1.006 397 T N 0.130 114.765 114.554 0.134 0.000 2.893 397 T HA 0.243 4.593 4.350 -0.000 0.000 0.293 397 T C -1.126 173.761 174.700 0.312 0.000 1.027 397 T CA -0.443 61.807 62.100 0.251 0.000 0.988 397 T CB 0.222 69.268 68.868 0.297 0.000 1.043 397 T HN 0.325 nan 8.240 nan 0.000 0.461 398 H N 6.223 125.445 119.070 0.253 0.000 2.878 398 H HA 0.261 4.817 4.556 -0.000 0.000 0.290 398 H C -1.629 173.915 175.328 0.360 0.000 1.065 398 H CA -1.804 54.417 56.048 0.288 0.000 1.477 398 H CB 1.608 31.570 29.762 0.333 0.000 1.484 398 H HN 0.372 nan 8.280 nan 0.000 0.504 399 P HA -0.105 nan 4.420 nan 0.000 0.236 399 P C 0.767 178.375 177.300 0.512 0.000 1.172 399 P CA 0.499 63.900 63.100 0.502 0.000 0.759 399 P CB 0.574 32.412 31.700 0.230 0.000 0.843 400 V N -2.273 117.872 119.914 0.385 0.000 2.911 400 V HA 0.014 4.134 4.120 -0.000 0.000 0.237 400 V C 1.966 178.126 176.094 0.108 0.000 1.156 400 V CA 0.959 63.282 62.300 0.038 0.000 1.180 400 V CB -0.757 30.826 31.823 -0.399 0.000 0.932 400 V HN -0.077 nan 8.190 nan 0.000 0.483 401 Y N 0.048 120.442 120.300 0.157 0.000 2.503 401 Y HA 0.233 4.783 4.550 -0.000 0.000 0.278 401 Y C 1.417 177.496 175.900 0.297 0.000 1.111 401 Y CA 0.474 58.704 58.100 0.216 0.000 1.270 401 Y CB 0.075 38.502 38.460 -0.055 0.000 1.063 401 Y HN 0.414 nan 8.280 nan 0.000 0.548 402 N N 0.773 119.741 118.700 0.446 0.000 2.756 402 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 402 N C -1.039 174.438 175.510 -0.055 0.000 1.062 402 N CA 0.922 54.081 53.050 0.181 0.000 0.696 402 N CB -1.529 36.904 38.487 -0.090 0.000 0.946 402 N HN 0.598 nan 8.380 nan 0.000 0.548 403 I N -4.239 116.415 120.570 0.141 0.000 2.994 403 I HA 0.693 4.863 4.170 -0.000 0.000 0.306 403 I C 0.987 177.258 176.117 0.257 0.000 1.195 403 I CA -1.087 60.276 61.300 0.106 0.000 1.001 403 I CB 1.658 39.704 38.000 0.077 0.000 1.244 403 I HN 0.012 nan 8.210 nan 0.000 0.437 404 G N 3.534 112.478 108.800 0.240 0.000 2.178 404 G HA2 0.173 4.133 3.960 -0.000 0.000 0.244 404 G HA3 0.173 4.133 3.960 -0.000 0.000 0.244 404 G C -1.273 173.735 174.900 0.180 0.000 1.213 404 G CA -0.576 44.634 45.100 0.183 0.000 0.912 404 G HN 0.689 nan 8.290 nan 0.000 0.474 405 P HA -0.200 nan 4.420 nan 0.000 0.219 405 P C 0.929 178.291 177.300 0.105 0.000 1.144 405 P CA 1.821 65.002 63.100 0.134 0.000 0.806 405 P CB 0.166 31.872 31.700 0.009 0.000 0.771 406 D N -0.606 119.842 120.400 0.080 0.000 2.162 406 D HA -0.117 4.523 4.640 -0.000 0.000 0.203 406 D C 1.839 178.184 176.300 0.075 0.000 0.967 406 D CA 0.730 54.768 54.000 0.063 0.000 0.840 406 D CB -0.449 40.377 40.800 0.044 0.000 0.972 406 D HN -0.036 nan 8.370 nan 0.000 0.482 407 K N 0.785 121.236 120.400 0.086 0.000 2.103 407 K HA -0.003 4.317 4.320 -0.000 0.000 0.204 407 K C 2.274 178.917 176.600 0.071 0.000 1.052 407 K CA 0.411 56.751 56.287 0.089 0.000 0.945 407 K CB -0.461 32.091 32.500 0.086 0.000 0.722 407 K HN 0.201 nan 8.250 nan 0.000 0.443 408 V N 2.143 122.095 119.914 0.063 0.000 2.220 408 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 408 V C 2.439 178.537 176.094 0.006 0.000 1.049 408 V CA 1.701 63.990 62.300 -0.019 0.000 1.003 408 V CB -0.445 31.476 31.823 0.163 0.000 0.634 408 V HN 0.181 nan 8.190 nan 0.000 0.444 409 I N -0.303 120.308 120.570 0.069 0.000 2.194 409 I HA -0.381 3.789 4.170 -0.000 0.000 0.246 409 I C 2.711 178.854 176.117 0.044 0.000 1.093 409 I CA 2.182 63.517 61.300 0.058 0.000 1.355 409 I CB -0.390 37.646 38.000 0.060 0.000 1.046 409 I HN 0.464 nan 8.210 nan 0.000 0.413 410 Q N 0.670 120.505 119.800 0.059 0.000 2.084 410 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 410 Q C 2.291 178.315 176.000 0.041 0.000 0.978 410 Q CA 1.847 57.696 55.803 0.076 0.000 0.844 410 Q CB -0.037 28.772 28.738 0.119 0.000 0.898 410 Q HN 0.565 nan 8.270 nan 0.000 0.426 411 A N 0.481 123.317 122.820 0.026 0.000 1.841 411 A HA -0.189 4.130 4.320 -0.000 0.000 0.214 411 A C 2.325 179.919 177.584 0.016 0.000 1.195 411 A CA 2.166 54.142 52.037 -0.102 0.000 0.611 411 A CB -1.449 17.572 19.000 0.035 0.000 0.835 411 A HN 0.669 nan 8.150 nan 0.000 0.443 412 T N -1.022 113.542 114.554 0.018 0.000 2.653 412 T HA -0.276 4.074 4.350 -0.000 0.000 0.268 412 T C 1.948 176.674 174.700 0.043 0.000 1.035 412 T CA 3.095 65.220 62.100 0.041 0.000 1.154 412 T CB -1.687 67.183 68.868 0.002 0.000 0.862 412 T HN 0.702 nan 8.240 nan 0.000 0.441 413 T N -0.199 114.362 114.554 0.011 0.000 2.788 413 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 413 T C 1.991 176.653 174.700 -0.064 0.000 1.044 413 T CA 1.575 63.670 62.100 -0.009 0.000 1.139 413 T CB -1.002 67.868 68.868 0.004 0.000 0.867 413 T HN 0.719 nan 8.240 nan 0.000 0.454 414 H N 0.337 119.281 119.070 -0.210 0.000 2.389 414 H HA 0.008 4.564 4.556 -0.000 0.000 0.299 414 H C 1.587 176.655 175.328 -0.432 0.000 1.081 414 H CA 1.306 57.134 56.048 -0.366 0.000 1.345 414 H CB -0.447 28.929 29.762 -0.644 0.000 1.393 414 H HN 0.529 nan 8.280 nan 0.000 0.520 415 F N -0.117 119.652 119.950 -0.301 0.000 2.615 415 F HA -0.039 4.488 4.527 -0.000 0.000 0.297 415 F C 2.245 177.922 175.800 -0.206 0.000 1.124 415 F CA -0.182 57.656 58.000 -0.270 0.000 1.451 415 F CB 0.085 38.997 39.000 -0.147 0.000 1.103 415 F HN 0.141 nan 8.300 nan 0.000 0.569 416 L N 0.694 121.904 121.223 -0.021 0.000 2.362 416 L HA -0.141 4.199 4.340 -0.000 0.000 0.219 416 L C 2.257 179.086 176.870 -0.068 0.000 1.134 416 L CA 1.550 56.376 54.840 -0.023 0.000 0.807 416 L CB -0.955 41.096 42.059 -0.013 0.000 0.927 416 L HN 0.305 nan 8.230 nan 0.000 0.447 417 Q N -1.259 118.455 119.800 -0.143 0.000 2.247 417 Q HA 0.064 4.404 4.340 -0.000 0.000 0.205 417 Q C -0.212 175.708 176.000 -0.132 0.000 0.896 417 Q CA 0.037 55.759 55.803 -0.136 0.000 0.950 417 Q CB 0.226 28.865 28.738 -0.165 0.000 1.054 417 Q HN 0.123 nan 8.270 nan 0.000 0.482 418 K N 2.068 122.405 120.400 -0.104 0.000 2.318 418 K HA 0.499 4.819 4.320 -0.000 0.000 0.249 418 K C -2.680 173.898 176.600 -0.038 0.000 0.942 418 K CA -2.266 53.981 56.287 -0.067 0.000 0.808 418 K CB 1.894 34.374 32.500 -0.033 0.000 1.189 418 K HN -0.012 nan 8.250 nan 0.000 0.428 419 P HA 0.133 nan 4.420 nan 0.000 0.284 419 P C -0.468 176.800 177.300 -0.053 0.000 1.253 419 P CA -0.528 62.547 63.100 -0.041 0.000 0.800 419 P CB 0.925 32.600 31.700 -0.043 0.000 0.961 420 V N 5.373 125.251 119.914 -0.061 0.000 2.617 420 V HA -0.026 4.094 4.120 -0.000 0.000 0.304 420 V C -1.664 174.333 176.094 -0.162 0.000 1.040 420 V CA -0.581 61.665 62.300 -0.091 0.000 1.149 420 V CB -0.535 31.241 31.823 -0.080 0.000 0.914 420 V HN 0.550 nan 8.190 nan 0.000 0.487 421 P HA 0.064 nan 4.420 nan 0.000 0.254 421 P C 0.400 177.274 177.300 -0.710 0.000 1.467 421 P CA 0.425 63.315 63.100 -0.351 0.000 1.281 421 P CB -0.100 31.425 31.700 -0.291 0.000 1.754 422 G N 2.938 111.473 108.800 -0.442 0.000 2.390 422 G HA2 0.540 4.500 3.960 -0.000 0.000 0.270 422 G HA3 0.540 4.500 3.960 -0.000 0.000 0.270 422 G C -0.502 174.237 174.900 -0.268 0.000 1.211 422 G CA -0.415 44.456 45.100 -0.383 0.000 0.842 422 G HN 0.415 nan 8.290 nan 0.000 0.519 423 F N 0.000 119.957 119.950 0.012 0.000 2.286 423 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 423 F CA 0.000 57.995 58.000 -0.009 0.000 1.383 423 F CB 0.000 38.992 39.000 -0.013 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574