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 3lfm_1_A DATA FIRST_RESID 26 DATA SEQUENCE PRGSHMTPKD DEFYQQWQLK YPKLILREAS SVSEELHKEV QEAFLTLHKH DATA SEQUENCE GCLFRDLVRI QGKDLLTPVS RILIGNPGCT YKYLNTRLFT VPWPVKXXXX DATA SEQUENCE XXXXAEIAAA CETFLKLNDY LQIETIQALE ELAAXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXDEVDIKS RAAYNVTLLN FMDPQKMPYL KEEPYFGMGK DATA SEQUENCE MAVSWHHDEN LVDRSAVAVY SYSCEXXXXX XXXXXXXXGR DPDIWHVGFK DATA SEQUENCE ISWDIETPGL AIPLHQGDCY FMLDDLNATH QHCVLAGSQP RFSSTHRVAE DATA SEQUENCE CSTGTLDYIL QRCQLALQNV CDDVDNDDVS LKSFEPAVLK QGEEIHNEVE DATA SEQUENCE FEWLRQFWFQ GNRYRKCTDW WCQPMAQLEA LWKKMEGVTN AVLHEVKREX DATA SEQUENCE XXVEQRNEIL TAILASLTAR QNLRREWHAR CQSRIARTXP ADQKPECRPY DATA SEQUENCE WEKDDASMPL PFDLTDIVSE LRGQ 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 26 P HA 0.000 nan 4.420 nan 0.000 0.216 26 P C 0.000 177.308 177.300 0.013 0.000 1.155 26 P CA 0.000 63.108 63.100 0.014 0.000 0.800 26 P CB 0.000 31.707 31.700 0.011 0.000 0.726 27 R N 0.585 121.096 120.500 0.020 0.000 2.875 27 R HA 0.903 5.245 4.340 0.003 0.000 0.251 27 R C 0.227 176.542 176.300 0.026 0.000 1.123 27 R CA -0.116 55.994 56.100 0.016 0.000 1.064 27 R CB 0.298 30.607 30.300 0.016 0.000 1.205 27 R HN 0.105 nan 8.270 nan 0.000 0.503 28 G N 1.121 109.937 108.800 0.026 0.000 2.533 28 G HA2 0.499 4.461 3.960 0.003 0.000 0.310 28 G HA3 0.499 4.461 3.960 0.003 0.000 0.310 28 G C -0.475 174.467 174.900 0.071 0.000 1.266 28 G CA 0.260 45.393 45.100 0.055 0.000 0.967 28 G HN 1.104 nan 8.290 nan 0.000 0.493 29 S N 1.325 117.107 115.700 0.136 0.000 2.634 29 S HA 0.890 5.362 4.470 0.003 0.000 0.296 29 S C -0.599 174.158 174.600 0.263 0.000 1.104 29 S CA -0.978 57.262 58.200 0.068 0.000 0.920 29 S CB 1.953 65.170 63.200 0.028 0.000 1.111 29 S HN 1.057 nan 8.310 nan 0.000 0.493 30 H N -1.526 117.661 119.070 0.195 0.000 2.966 30 H HA 0.778 5.336 4.556 0.003 0.000 0.330 30 H C -1.379 174.017 175.328 0.114 0.000 1.292 30 H CA -1.264 54.867 56.048 0.140 0.000 1.127 30 H CB 0.723 30.572 29.762 0.145 0.000 1.863 30 H HN 0.613 nan 8.280 nan 0.000 0.543 31 M N 0.938 120.761 119.600 0.372 0.000 2.535 31 M HA 0.568 5.050 4.480 0.003 0.000 0.314 31 M C -0.848 175.725 176.300 0.456 0.000 1.153 31 M CA -0.667 54.854 55.300 0.369 0.000 0.924 31 M CB 2.708 35.504 32.600 0.327 0.000 1.710 31 M HN 1.005 nan 8.290 nan 0.000 0.451 32 T N -2.744 111.991 114.554 0.302 0.000 2.812 32 T HA 0.554 4.906 4.350 0.003 0.000 0.294 32 T C -2.583 171.663 174.700 -0.758 0.000 1.159 32 T CA -1.492 60.566 62.100 -0.071 0.000 1.008 32 T CB 1.728 70.615 68.868 0.031 0.000 1.289 32 T HN 0.450 nan 8.240 nan 0.000 0.514 33 P HA 0.050 nan 4.420 nan 0.000 0.236 33 P C 0.742 177.925 177.300 -0.195 0.000 1.172 33 P CA 0.592 63.082 63.100 -1.018 0.000 0.759 33 P CB -0.012 31.320 31.700 -0.614 0.000 0.843 34 K N -0.560 119.773 120.400 -0.113 0.000 2.366 34 K HA 0.002 4.323 4.320 0.003 0.000 0.198 34 K C 0.431 177.085 176.600 0.089 0.000 1.044 34 K CA 0.460 56.763 56.287 0.026 0.000 0.973 34 K CB 0.000 32.520 32.500 0.032 0.000 0.767 34 K HN 0.277 nan 8.250 nan 0.000 0.475 35 D N 0.383 120.853 120.400 0.116 0.000 2.294 35 D HA 0.049 4.691 4.640 0.003 0.000 0.250 35 D C 0.518 177.002 176.300 0.307 0.000 1.058 35 D CA -0.265 53.849 54.000 0.191 0.000 0.950 35 D CB 1.113 42.037 40.800 0.206 0.000 1.158 35 D HN -0.112 nan 8.370 nan 0.000 0.453 36 D N 0.321 120.872 120.400 0.251 0.000 2.137 36 D HA -0.101 4.540 4.640 0.003 0.000 0.202 36 D C 1.310 177.806 176.300 0.327 0.000 0.970 36 D CA 0.851 55.009 54.000 0.264 0.000 0.837 36 D CB 0.275 41.167 40.800 0.153 0.000 0.981 36 D HN 0.520 nan 8.370 nan 0.000 0.475 37 E N 0.440 120.797 120.200 0.261 0.000 2.268 37 E HA -0.130 4.222 4.350 0.003 0.000 0.195 37 E C 1.871 178.633 176.600 0.270 0.000 0.995 37 E CA 0.105 56.642 56.400 0.229 0.000 0.836 37 E CB -0.299 29.500 29.700 0.165 0.000 0.763 37 E HN 0.226 nan 8.360 nan 0.000 0.491 38 F N 1.332 121.372 119.950 0.149 0.000 2.120 38 F HA -0.287 4.241 4.527 0.003 0.000 0.300 38 F C 1.695 177.507 175.800 0.019 0.000 1.095 38 F CA 1.594 59.617 58.000 0.038 0.000 1.249 38 F CB -0.285 38.651 39.000 -0.106 0.000 0.995 38 F HN -0.057 nan 8.300 nan 0.000 0.480 39 Y N 0.512 121.059 120.300 0.412 0.000 2.314 39 Y HA -0.182 4.369 4.550 0.002 0.000 0.293 39 Y C 2.645 178.619 175.900 0.125 0.000 1.129 39 Y CA 1.329 59.584 58.100 0.260 0.000 1.201 39 Y CB -0.847 37.744 38.460 0.218 0.000 0.999 39 Y HN 0.321 nan 8.280 nan 0.000 0.541 40 Q N 0.069 120.023 119.800 0.255 0.000 2.331 40 Q HA -0.169 4.173 4.340 0.003 0.000 0.203 40 Q C 1.851 177.927 176.000 0.127 0.000 0.944 40 Q CA 1.098 56.998 55.803 0.162 0.000 0.892 40 Q CB -0.120 28.701 28.738 0.139 0.000 0.983 40 Q HN 0.385 nan 8.270 nan 0.000 0.482 41 Q N 0.224 120.088 119.800 0.107 0.000 2.049 41 Q HA -0.119 4.222 4.340 0.003 0.000 0.198 41 Q C 1.549 177.654 176.000 0.175 0.000 0.971 41 Q CA 1.624 57.484 55.803 0.095 0.000 0.833 41 Q CB -0.396 28.368 28.738 0.043 0.000 0.896 41 Q HN 0.601 nan 8.270 nan 0.000 0.434 42 W N 1.343 122.543 121.300 -0.167 0.000 2.354 42 W HA -0.186 4.475 4.660 0.002 0.000 0.315 42 W C 1.934 178.443 176.519 -0.017 0.000 1.206 42 W CA 2.057 59.313 57.345 -0.148 0.000 1.290 42 W CB -0.791 28.423 29.460 -0.410 0.000 1.152 42 W HN 0.378 nan 8.180 nan 0.000 0.489 43 Q N -0.425 119.537 119.800 0.270 0.000 2.119 43 Q HA -0.187 4.155 4.340 0.003 0.000 0.201 43 Q C 1.943 178.013 176.000 0.117 0.000 0.972 43 Q CA 1.555 57.444 55.803 0.144 0.000 0.847 43 Q CB -0.171 28.607 28.738 0.067 0.000 0.903 43 Q HN 0.183 nan 8.270 nan 0.000 0.433 44 L N -0.358 120.926 121.223 0.102 0.000 2.529 44 L HA 0.119 4.461 4.340 0.003 0.000 0.223 44 L C 1.278 178.153 176.870 0.009 0.000 1.113 44 L CA 1.122 55.993 54.840 0.052 0.000 0.861 44 L CB 0.423 42.509 42.059 0.046 0.000 1.012 44 L HN -0.044 nan 8.230 nan 0.000 0.461 45 K N -1.909 118.487 120.400 -0.006 0.000 2.553 45 K HA 0.245 4.567 4.320 0.003 0.000 0.205 45 K C -0.571 175.706 176.600 -0.539 0.000 1.168 45 K CA 0.092 56.251 56.287 -0.213 0.000 1.043 45 K CB 0.964 33.317 32.500 -0.245 0.000 0.967 45 K HN 0.039 nan 8.250 nan 0.000 0.585 46 Y N -0.353 119.917 120.300 -0.051 0.000 2.811 46 Y HA 0.140 4.691 4.550 0.002 0.000 0.245 46 Y C -2.079 173.808 175.900 -0.022 0.000 1.041 46 Y CA -1.345 56.640 58.100 -0.192 0.000 1.110 46 Y CB 0.848 39.025 38.460 -0.473 0.000 1.212 46 Y HN -0.008 nan 8.280 nan 0.000 0.635 47 P HA -0.179 nan 4.420 nan 0.000 0.223 47 P C 0.537 177.897 177.300 0.100 0.000 1.144 47 P CA 1.455 64.630 63.100 0.125 0.000 0.783 47 P CB 0.344 32.080 31.700 0.061 0.000 0.771 48 K N -0.751 119.675 120.400 0.042 0.000 2.437 48 K HA 0.133 4.454 4.320 0.003 0.000 0.198 48 K C 0.422 177.040 176.600 0.029 0.000 1.024 48 K CA -0.322 55.983 56.287 0.030 0.000 1.148 48 K CB -0.010 32.491 32.500 0.002 0.000 0.860 48 K HN 0.080 nan 8.250 nan 0.000 0.515 49 L N 1.527 122.773 121.223 0.037 0.000 2.276 49 L HA 0.420 4.762 4.340 0.003 0.000 0.286 49 L C -0.922 176.121 176.870 0.289 0.000 1.024 49 L CA -0.402 54.421 54.840 -0.028 0.000 0.826 49 L CB 0.565 42.314 42.059 -0.517 0.000 1.211 49 L HN -0.037 nan 8.230 nan 0.000 0.422 50 I N 5.342 126.100 120.570 0.314 0.000 2.460 50 I HA 0.403 4.574 4.170 0.003 0.000 0.298 50 I C -0.874 175.548 176.117 0.508 0.000 0.989 50 I CA -0.788 60.728 61.300 0.360 0.000 1.173 50 I CB 1.919 39.997 38.000 0.130 0.000 1.338 50 I HN 0.447 nan 8.210 nan 0.000 0.456 51 L N 6.222 127.727 121.223 0.471 0.000 2.385 51 L HA 0.562 4.904 4.340 0.003 0.000 0.273 51 L C -1.256 175.808 176.870 0.323 0.000 0.990 51 L CA -0.569 54.559 54.840 0.480 0.000 0.821 51 L CB 1.729 44.137 42.059 0.582 0.000 1.279 51 L HN 0.638 nan 8.230 nan 0.000 0.412 52 R N 4.184 124.896 120.500 0.353 0.000 2.422 52 R HA 0.353 4.694 4.340 0.003 0.000 0.307 52 R C -0.552 175.893 176.300 0.242 0.000 1.004 52 R CA -0.578 55.680 56.100 0.264 0.000 0.882 52 R CB 1.673 32.160 30.300 0.311 0.000 1.164 52 R HN 0.690 nan 8.270 nan 0.000 0.489 53 E N 1.095 121.408 120.200 0.188 0.000 2.418 53 E HA 0.050 4.402 4.350 0.003 0.000 0.261 53 E C 1.049 177.748 176.600 0.165 0.000 1.070 53 E CA 0.142 56.641 56.400 0.165 0.000 0.931 53 E CB 0.740 30.518 29.700 0.131 0.000 0.954 53 E HN 0.558 nan 8.360 nan 0.000 0.439 54 A N 2.490 125.393 122.820 0.137 0.000 1.971 54 A HA -0.250 4.072 4.320 0.003 0.000 0.222 54 A C 2.030 179.744 177.584 0.216 0.000 1.182 54 A CA 2.059 54.185 52.037 0.149 0.000 0.649 54 A CB -0.532 18.441 19.000 -0.046 0.000 0.818 54 A HN 0.512 nan 8.150 nan 0.000 0.458 55 S N -0.048 115.727 115.700 0.125 0.000 2.584 55 S HA -0.044 4.428 4.470 0.003 0.000 0.240 55 S C 1.776 176.450 174.600 0.123 0.000 0.975 55 S CA 1.138 59.402 58.200 0.107 0.000 0.949 55 S CB -0.328 62.910 63.200 0.063 0.000 0.761 55 S HN 0.922 nan 8.310 nan 0.000 0.536 56 S N -0.481 115.316 115.700 0.160 0.000 2.505 56 S HA 0.240 4.711 4.470 0.003 0.000 0.216 56 S C 0.393 175.091 174.600 0.164 0.000 1.018 56 S CA -0.386 57.903 58.200 0.149 0.000 0.911 56 S CB 0.101 63.394 63.200 0.156 0.000 0.818 56 S HN 0.137 nan 8.310 nan 0.000 0.497 57 V N 2.742 122.761 119.914 0.175 0.000 2.472 57 V HA 0.534 4.656 4.120 0.003 0.000 0.290 57 V C 0.620 176.655 176.094 -0.099 0.000 1.037 57 V CA -0.749 61.532 62.300 -0.032 0.000 0.908 57 V CB 1.504 33.183 31.823 -0.240 0.000 0.985 57 V HN 0.495 nan 8.190 nan 0.000 0.454 58 S N 2.459 118.027 115.700 -0.219 0.000 2.558 58 S HA -0.027 4.445 4.470 0.003 0.000 0.291 58 S C 1.251 175.820 174.600 -0.052 0.000 1.306 58 S CA 0.539 58.663 58.200 -0.127 0.000 1.056 58 S CB 0.506 63.596 63.200 -0.184 0.000 0.836 58 S HN 0.966 nan 8.310 nan 0.000 0.504 59 E N 2.602 122.843 120.200 0.068 0.000 2.358 59 E HA -0.085 4.267 4.350 0.003 0.000 0.195 59 E C 1.317 177.939 176.600 0.036 0.000 1.010 59 E CA 1.085 57.566 56.400 0.135 0.000 0.856 59 E CB -0.149 29.601 29.700 0.084 0.000 0.795 59 E HN 0.863 nan 8.360 nan 0.000 0.504 60 E N 0.494 120.671 120.200 -0.039 0.000 2.107 60 E HA -0.113 4.238 4.350 0.003 0.000 0.191 60 E C 1.830 178.351 176.600 -0.133 0.000 0.982 60 E CA 0.780 57.133 56.400 -0.078 0.000 0.809 60 E CB -0.023 29.625 29.700 -0.087 0.000 0.756 60 E HN 0.198 nan 8.360 nan 0.000 0.459 61 L N 0.703 121.809 121.223 -0.196 0.000 2.049 61 L HA -0.084 4.257 4.340 0.003 0.000 0.203 61 L C 2.098 178.829 176.870 -0.231 0.000 1.074 61 L CA 1.775 56.442 54.840 -0.288 0.000 0.749 61 L CB -0.530 41.262 42.059 -0.445 0.000 0.907 61 L HN 0.120 nan 8.230 nan 0.000 0.439 62 H N 0.391 119.411 119.070 -0.083 0.000 2.252 62 H HA -0.258 4.300 4.556 0.003 0.000 0.292 62 H C 2.265 177.524 175.328 -0.115 0.000 1.082 62 H CA 2.204 58.250 56.048 -0.003 0.000 1.229 62 H CB -0.258 29.544 29.762 0.067 0.000 1.353 62 H HN 0.320 nan 8.280 nan 0.000 0.488 63 K N 0.715 121.136 120.400 0.034 0.000 2.063 63 K HA -0.190 4.131 4.320 0.003 0.000 0.208 63 K C 2.255 178.759 176.600 -0.160 0.000 1.048 63 K CA 1.655 57.907 56.287 -0.058 0.000 0.928 63 K CB 0.002 32.480 32.500 -0.038 0.000 0.713 63 K HN 0.328 nan 8.250 nan 0.000 0.442 64 E N 0.195 120.278 120.200 -0.195 0.000 2.038 64 E HA -0.184 4.167 4.350 0.003 0.000 0.195 64 E C 1.891 178.231 176.600 -0.434 0.000 1.000 64 E CA 1.781 58.014 56.400 -0.278 0.000 0.803 64 E CB 0.013 29.549 29.700 -0.272 0.000 0.750 64 E HN 0.293 nan 8.360 nan 0.000 0.448 65 V N -1.219 118.376 119.914 -0.532 0.000 2.667 65 V HA -0.171 3.951 4.120 0.003 0.000 0.252 65 V C 1.927 177.568 176.094 -0.756 0.000 1.065 65 V CA 1.619 63.409 62.300 -0.850 0.000 1.083 65 V CB -0.525 30.723 31.823 -0.958 0.000 0.692 65 V HN 0.199 nan 8.190 nan 0.000 0.468 66 Q N 0.294 119.792 119.800 -0.504 0.000 2.172 66 Q HA -0.101 4.241 4.340 0.003 0.000 0.200 66 Q C 2.281 178.082 176.000 -0.331 0.000 0.964 66 Q CA 1.768 57.239 55.803 -0.555 0.000 0.855 66 Q CB -0.137 28.206 28.738 -0.659 0.000 0.918 66 Q HN 0.755 nan 8.270 nan 0.000 0.444 67 E N 0.495 120.520 120.200 -0.292 0.000 2.152 67 E HA -0.116 4.236 4.350 0.003 0.000 0.192 67 E C 1.928 178.381 176.600 -0.246 0.000 0.983 67 E CA 0.719 56.995 56.400 -0.206 0.000 0.818 67 E CB -0.014 29.577 29.700 -0.182 0.000 0.758 67 E HN 0.325 nan 8.360 nan 0.000 0.467 68 A N 0.894 123.474 122.820 -0.400 0.000 1.898 68 A HA -0.156 4.165 4.320 0.003 0.000 0.216 68 A C 1.805 179.242 177.584 -0.245 0.000 1.181 68 A CA 1.046 52.828 52.037 -0.425 0.000 0.620 68 A CB -0.669 17.809 19.000 -0.870 0.000 0.819 68 A HN 0.147 nan 8.150 nan 0.000 0.442 69 F N 0.132 119.923 119.950 -0.265 0.000 2.216 69 F HA -0.101 4.428 4.527 0.003 0.000 0.300 69 F C 2.064 177.501 175.800 -0.606 0.000 1.085 69 F CA 1.085 58.770 58.000 -0.525 0.000 1.326 69 F CB -0.567 37.813 39.000 -1.033 0.000 1.027 69 F HN 0.099 nan 8.300 nan 0.000 0.497 70 L N -0.710 120.395 121.223 -0.196 0.000 2.072 70 L HA -0.160 4.181 4.340 0.003 0.000 0.205 70 L C 2.622 179.497 176.870 0.009 0.000 1.079 70 L CA 1.701 56.493 54.840 -0.080 0.000 0.752 70 L CB -1.258 40.786 42.059 -0.025 0.000 0.906 70 L HN 0.233 nan 8.230 nan 0.000 0.436 71 T N -1.794 112.734 114.554 -0.043 0.000 2.737 71 T HA -0.188 4.164 4.350 0.003 0.000 0.265 71 T C 1.888 176.564 174.700 -0.041 0.000 1.038 71 T CA 0.826 62.897 62.100 -0.049 0.000 1.144 71 T CB -0.573 68.196 68.868 -0.165 0.000 0.866 71 T HN 0.018 nan 8.240 nan 0.000 0.434 72 L N 1.232 122.429 121.223 -0.044 0.000 2.042 72 L HA -0.116 4.226 4.340 0.003 0.000 0.210 72 L C 2.740 179.660 176.870 0.083 0.000 1.076 72 L CA 1.823 56.673 54.840 0.018 0.000 0.749 72 L CB -1.035 41.069 42.059 0.075 0.000 0.893 72 L HN 0.518 nan 8.230 nan 0.000 0.432 73 H N -0.161 118.917 119.070 0.013 0.000 2.326 73 H HA -0.186 4.371 4.556 0.003 0.000 0.301 73 H C 2.267 177.592 175.328 -0.005 0.000 1.081 73 H CA 2.021 58.072 56.048 0.005 0.000 1.334 73 H CB 0.222 30.016 29.762 0.054 0.000 1.385 73 H HN 0.297 nan 8.280 nan 0.000 0.504 74 K N -0.395 120.145 120.400 0.233 0.000 2.097 74 K HA -0.180 4.142 4.320 0.003 0.000 0.206 74 K C 1.842 178.501 176.600 0.098 0.000 1.049 74 K CA 1.429 57.823 56.287 0.179 0.000 0.933 74 K CB -0.122 32.499 32.500 0.202 0.000 0.717 74 K HN 0.310 nan 8.250 nan 0.000 0.442 75 H N -0.670 118.382 119.070 -0.029 0.000 2.561 75 H HA 0.097 4.655 4.556 0.003 0.000 0.278 75 H C 0.653 175.924 175.328 -0.095 0.000 1.014 75 H CA 0.932 56.959 56.048 -0.035 0.000 1.211 75 H CB 0.040 29.802 29.762 -0.000 0.000 1.365 75 H HN 0.512 nan 8.280 nan 0.000 0.594 76 G N -0.245 108.495 108.800 -0.101 0.000 2.314 76 G HA2 -0.302 3.660 3.960 0.003 0.000 0.292 76 G HA3 -0.302 3.660 3.960 0.003 0.000 0.292 76 G C 0.912 175.570 174.900 -0.404 0.000 1.059 76 G CA 0.473 45.391 45.100 -0.304 0.000 0.982 76 G HN 0.534 nan 8.290 nan 0.000 0.505 77 C N -0.736 118.409 119.300 -0.258 0.000 2.780 77 C HA 0.431 4.892 4.460 0.003 0.000 0.267 77 C C 1.057 175.919 174.990 -0.212 0.000 1.266 77 C CA -0.125 58.819 59.018 -0.123 0.000 1.709 77 C CB -0.790 26.994 27.740 0.074 0.000 1.975 77 C HN 0.535 nan 8.230 nan 0.000 0.582 78 L N 1.093 122.077 121.223 -0.398 0.000 2.272 78 L HA 0.567 4.908 4.340 0.003 0.000 0.289 78 L C -0.541 176.088 176.870 -0.401 0.000 1.032 78 L CA 0.348 55.075 54.840 -0.190 0.000 0.810 78 L CB 0.202 42.259 42.059 -0.003 0.000 1.205 78 L HN 0.028 nan 8.230 nan 0.000 0.422 79 F N 0.808 120.756 119.950 -0.004 0.000 2.593 79 F HA 0.713 5.242 4.527 0.002 0.000 0.320 79 F C 0.217 176.023 175.800 0.009 0.000 1.060 79 F CA -1.234 56.756 58.000 -0.016 0.000 0.940 79 F CB 1.323 40.283 39.000 -0.065 0.000 1.268 79 F HN 0.376 nan 8.300 nan 0.000 0.475 80 R N 0.306 120.932 120.500 0.210 0.000 2.459 80 R HA 0.481 4.823 4.340 0.003 0.000 0.281 80 R C -1.353 175.023 176.300 0.127 0.000 1.050 80 R CA -0.794 55.389 56.100 0.139 0.000 1.055 80 R CB 0.692 31.046 30.300 0.090 0.000 1.045 80 R HN 0.442 nan 8.270 nan 0.000 0.495 81 D N 2.150 122.622 120.400 0.121 0.000 2.177 81 D HA 0.086 4.728 4.640 0.003 0.000 0.247 81 D C -0.450 175.901 176.300 0.085 0.000 1.063 81 D CA -0.503 53.562 54.000 0.107 0.000 0.867 81 D CB 1.865 42.746 40.800 0.136 0.000 1.168 81 D HN 0.271 nan 8.370 nan 0.000 0.445 82 L N 4.155 125.454 121.223 0.127 0.000 2.466 82 L HA 0.151 4.493 4.340 0.003 0.000 0.248 82 L C -0.613 176.344 176.870 0.146 0.000 1.240 82 L CA -0.242 54.687 54.840 0.148 0.000 1.180 82 L CB -0.183 41.992 42.059 0.193 0.000 1.413 82 L HN 0.043 nan 8.230 nan 0.000 0.406 83 V N 3.023 122.940 119.914 0.005 0.000 3.185 83 V HA 0.283 4.404 4.120 0.003 0.000 0.305 83 V C 1.087 177.096 176.094 -0.141 0.000 1.090 83 V CA -0.513 61.719 62.300 -0.114 0.000 1.107 83 V CB 1.056 32.768 31.823 -0.185 0.000 1.061 83 V HN 0.616 nan 8.190 nan 0.000 0.480 84 R N 2.655 123.026 120.500 -0.215 0.000 2.782 84 R HA 0.323 4.665 4.340 0.003 0.000 0.293 84 R C -0.438 175.746 176.300 -0.193 0.000 1.333 84 R CA -0.410 55.563 56.100 -0.211 0.000 1.479 84 R CB 0.405 30.523 30.300 -0.304 0.000 1.306 84 R HN 0.806 nan 8.270 nan 0.000 0.654 85 I N 1.065 121.536 120.570 -0.165 0.000 2.648 85 I HA -0.033 4.138 4.170 0.003 0.000 0.284 85 I C 0.489 176.540 176.117 -0.110 0.000 1.153 85 I CA 0.645 61.858 61.300 -0.144 0.000 1.426 85 I CB 0.437 38.357 38.000 -0.134 0.000 1.381 85 I HN 0.652 nan 8.210 nan 0.000 0.571 86 Q N 4.951 124.692 119.800 -0.097 0.000 2.435 86 Q HA -0.245 4.097 4.340 0.003 0.000 0.286 86 Q C 0.829 176.784 176.000 -0.075 0.000 1.229 86 Q CA 0.932 56.691 55.803 -0.073 0.000 0.884 86 Q CB -1.402 27.304 28.738 -0.053 0.000 1.245 86 Q HN 1.391 nan 8.270 nan 0.000 0.488 87 G N -1.068 107.674 108.800 -0.097 0.000 2.225 87 G HA2 -0.326 3.635 3.960 0.003 0.000 0.254 87 G HA3 -0.326 3.635 3.960 0.003 0.000 0.254 87 G C -0.022 174.822 174.900 -0.092 0.000 0.988 87 G CA 0.498 45.541 45.100 -0.095 0.000 0.625 87 G HN 0.337 nan 8.290 nan 0.000 0.527 88 K N 0.699 121.046 120.400 -0.088 0.000 2.207 88 K HA 0.469 4.791 4.320 0.003 0.000 0.255 88 K C -1.325 175.225 176.600 -0.084 0.000 0.941 88 K CA -0.879 55.362 56.287 -0.075 0.000 0.825 88 K CB 1.227 33.693 32.500 -0.057 0.000 1.119 88 K HN 0.053 nan 8.250 nan 0.000 0.430 89 D N 2.721 123.080 120.400 -0.068 0.000 2.317 89 D HA 0.278 4.919 4.640 0.003 0.000 0.252 89 D C -0.784 175.494 176.300 -0.037 0.000 1.174 89 D CA 0.194 54.161 54.000 -0.055 0.000 0.866 89 D CB 0.435 41.218 40.800 -0.029 0.000 1.127 89 D HN 0.170 nan 8.370 nan 0.000 0.467 90 L N 2.226 123.426 121.223 -0.038 0.000 2.455 90 L HA 0.424 4.765 4.340 0.003 0.000 0.264 90 L C -0.628 176.234 176.870 -0.014 0.000 0.968 90 L CA -0.875 53.948 54.840 -0.029 0.000 0.827 90 L CB 1.951 43.983 42.059 -0.045 0.000 1.317 90 L HN 0.131 nan 8.230 nan 0.000 0.407 91 L N 1.656 122.878 121.223 -0.002 0.000 2.375 91 L HA 0.481 4.823 4.340 0.003 0.000 0.271 91 L C 0.315 177.189 176.870 0.006 0.000 1.107 91 L CA -0.306 54.541 54.840 0.012 0.000 0.806 91 L CB 1.999 44.067 42.059 0.015 0.000 1.146 91 L HN 0.717 nan 8.230 nan 0.000 0.447 92 T N -0.182 114.385 114.554 0.022 0.000 2.806 92 T HA 0.304 4.656 4.350 0.003 0.000 0.290 92 T C -1.962 172.748 174.700 0.016 0.000 0.966 92 T CA -1.813 60.300 62.100 0.022 0.000 1.060 92 T CB 1.515 70.421 68.868 0.063 0.000 0.927 92 T HN 0.352 nan 8.240 nan 0.000 0.485 93 P HA -0.054 nan 4.420 nan 0.000 0.216 93 P C 0.227 177.510 177.300 -0.027 0.000 1.150 93 P CA 0.565 63.650 63.100 -0.026 0.000 0.843 93 P CB 0.019 31.690 31.700 -0.049 0.000 0.787 94 V N -0.165 119.738 119.914 -0.018 0.000 2.686 94 V HA 0.193 4.315 4.120 0.003 0.000 0.295 94 V C 0.471 176.585 176.094 0.032 0.000 1.057 94 V CA -0.323 61.962 62.300 -0.025 0.000 1.012 94 V CB 1.287 33.089 31.823 -0.035 0.000 1.006 94 V HN -0.001 nan 8.190 nan 0.000 0.477 95 S N 5.197 120.930 115.700 0.056 0.000 2.525 95 S HA 0.856 5.327 4.470 0.003 0.000 0.290 95 S C -0.375 174.293 174.600 0.113 0.000 1.152 95 S CA -1.054 57.212 58.200 0.110 0.000 1.072 95 S CB 1.601 64.887 63.200 0.143 0.000 1.027 95 S HN 0.847 nan 8.310 nan 0.000 0.500 96 R N 0.259 120.833 120.500 0.123 0.000 2.831 96 R HA 0.832 5.174 4.340 0.003 0.000 0.266 96 R C -1.862 174.511 176.300 0.123 0.000 1.051 96 R CA -1.056 55.103 56.100 0.098 0.000 0.943 96 R CB 1.106 31.427 30.300 0.034 0.000 1.228 96 R HN 0.540 nan 8.270 nan 0.000 0.467 97 I N 0.893 121.506 120.570 0.072 0.000 2.627 97 I HA 0.274 4.446 4.170 0.003 0.000 0.288 97 I C -1.918 174.196 176.117 -0.006 0.000 1.202 97 I CA -0.849 60.497 61.300 0.077 0.000 1.050 97 I CB 2.163 40.213 38.000 0.083 0.000 1.264 97 I HN 0.661 nan 8.210 nan 0.000 0.429 98 L N 8.595 129.829 121.223 0.018 0.000 2.265 98 L HA 0.642 4.983 4.340 0.003 0.000 0.288 98 L C -1.104 175.702 176.870 -0.107 0.000 1.058 98 L CA 0.315 55.117 54.840 -0.063 0.000 0.809 98 L CB 0.418 42.472 42.059 -0.009 0.000 1.179 98 L HN 0.499 nan 8.230 nan 0.000 0.429 99 I N 4.983 125.403 120.570 -0.249 0.000 2.509 99 I HA 0.843 5.014 4.170 0.003 0.000 0.293 99 I C 0.445 176.120 176.117 -0.736 0.000 1.020 99 I CA -0.370 60.732 61.300 -0.330 0.000 1.088 99 I CB 1.842 39.714 38.000 -0.213 0.000 1.267 99 I HN 0.765 nan 8.210 nan 0.000 0.430 100 G N 4.272 112.434 108.800 -1.064 0.000 2.356 100 G HA2 0.081 4.043 3.960 0.003 0.000 0.281 100 G HA3 0.081 4.043 3.960 0.003 0.000 0.281 100 G C -1.433 172.581 174.900 -1.477 0.000 1.246 100 G CA -0.937 43.020 45.100 -1.905 0.000 0.889 100 G HN 0.579 nan 8.290 nan 0.000 0.486 101 N N 2.328 120.574 118.700 -0.756 0.000 2.353 101 N HA 0.219 4.961 4.740 0.003 0.000 0.248 101 N C -2.279 173.050 175.510 -0.302 0.000 1.240 101 N CA -0.437 52.493 53.050 -0.201 0.000 0.862 101 N CB 0.739 39.246 38.487 0.034 0.000 1.086 101 N HN 0.240 nan 8.380 nan 0.000 0.453 102 P HA 0.026 nan 4.420 nan 0.000 0.271 102 P C 0.578 177.543 177.300 -0.558 0.000 1.216 102 P CA 0.304 62.961 63.100 -0.739 0.000 0.771 102 P CB 0.931 32.296 31.700 -0.559 0.000 0.864 103 G N 1.422 109.707 108.800 -0.858 0.000 2.176 103 G HA2 -0.229 3.733 3.960 0.003 0.000 0.253 103 G HA3 -0.229 3.733 3.960 0.003 0.000 0.253 103 G C 0.159 175.260 174.900 0.335 0.000 0.979 103 G CA -0.000 45.020 45.100 -0.134 0.000 0.641 103 G HN 0.774 nan 8.290 nan 0.000 0.530 104 C N 1.650 121.084 119.300 0.223 0.000 2.364 104 C HA 0.936 5.398 4.460 0.003 0.000 0.356 104 C C 0.911 176.025 174.990 0.208 0.000 1.201 104 C CA 0.768 59.919 59.018 0.222 0.000 2.227 104 C CB 0.970 28.747 27.740 0.063 0.000 2.387 104 C HN 1.091 nan 8.230 nan 0.000 0.546 105 T N 1.542 116.149 114.554 0.088 0.000 2.896 105 T HA 0.592 4.943 4.350 0.003 0.000 0.297 105 T C -1.401 173.273 174.700 -0.043 0.000 1.108 105 T CA -0.448 61.564 62.100 -0.147 0.000 1.004 105 T CB 1.568 70.109 68.868 -0.545 0.000 1.159 105 T HN 0.711 nan 8.240 nan 0.000 0.499 106 Y N 0.999 121.153 120.300 -0.243 0.000 2.329 106 Y HA 0.648 5.200 4.550 0.003 0.000 0.328 106 Y C -0.627 175.193 175.900 -0.133 0.000 0.992 106 Y CA -1.314 56.702 58.100 -0.140 0.000 1.151 106 Y CB 1.787 40.189 38.460 -0.096 0.000 1.150 106 Y HN 0.864 nan 8.280 nan 0.000 0.450 107 K N 5.290 125.387 120.400 -0.504 0.000 2.312 107 K HA 0.301 4.623 4.320 0.003 0.000 0.287 107 K C -2.010 174.267 176.600 -0.538 0.000 1.062 107 K CA -0.129 55.902 56.287 -0.426 0.000 0.934 107 K CB 0.167 32.485 32.500 -0.302 0.000 1.027 107 K HN 0.584 nan 8.250 nan 0.000 0.478 108 Y N 5.768 125.804 120.300 -0.440 0.000 2.344 108 Y HA 0.325 4.876 4.550 0.003 0.000 0.328 108 Y C -0.860 174.938 175.900 -0.170 0.000 1.067 108 Y CA -1.066 56.834 58.100 -0.332 0.000 1.247 108 Y CB 0.376 38.696 38.460 -0.234 0.000 1.113 108 Y HN 0.593 nan 8.280 nan 0.000 0.465 109 L N 6.547 127.479 121.223 -0.485 0.000 3.472 109 L HA -0.403 3.938 4.340 0.003 0.000 0.485 109 L C 0.254 176.907 176.870 -0.361 0.000 1.312 109 L CA 0.858 55.407 54.840 -0.485 0.000 0.869 109 L CB -1.229 40.369 42.059 -0.769 0.000 1.687 109 L HN 0.942 nan 8.230 nan 0.000 0.853 110 N N -2.878 115.669 118.700 -0.255 0.000 2.857 110 N HA -0.166 4.575 4.740 0.003 0.000 0.242 110 N C 0.476 175.879 175.510 -0.178 0.000 0.983 110 N CA 1.847 54.778 53.050 -0.198 0.000 0.934 110 N CB -1.207 37.154 38.487 -0.209 0.000 1.115 110 N HN 0.802 nan 8.380 nan 0.000 0.593 111 T N -1.234 113.196 114.554 -0.208 0.000 2.824 111 T HA 0.531 4.883 4.350 0.003 0.000 0.280 111 T C 0.304 174.925 174.700 -0.131 0.000 0.995 111 T CA -0.938 61.091 62.100 -0.119 0.000 1.009 111 T CB 2.834 71.649 68.868 -0.088 0.000 0.955 111 T HN 0.315 nan 8.240 nan 0.000 0.452 112 R N 2.582 122.997 120.500 -0.143 0.000 2.215 112 R HA 0.505 4.846 4.340 0.003 0.000 0.336 112 R C -1.257 174.801 176.300 -0.403 0.000 0.996 112 R CA -0.772 55.115 56.100 -0.354 0.000 0.847 112 R CB 0.179 30.156 30.300 -0.538 0.000 1.127 112 R HN 0.444 nan 8.270 nan 0.000 0.465 113 L N 5.191 126.235 121.223 -0.299 0.000 2.334 113 L HA 0.420 4.762 4.340 0.003 0.000 0.277 113 L C -0.620 175.989 176.870 -0.435 0.000 1.075 113 L CA 0.076 54.833 54.840 -0.137 0.000 0.804 113 L CB 0.865 42.963 42.059 0.065 0.000 1.174 113 L HN 0.544 nan 8.230 nan 0.000 0.438 114 F N -0.109 119.744 119.950 -0.162 0.000 2.443 114 F HA 0.447 4.976 4.527 0.003 0.000 0.335 114 F C 0.668 176.430 175.800 -0.063 0.000 1.104 114 F CA -0.880 56.881 58.000 -0.398 0.000 1.013 114 F CB 1.441 39.701 39.000 -1.234 0.000 1.136 114 F HN 0.462 nan 8.300 nan 0.000 0.470 115 T N 0.245 114.943 114.554 0.241 0.000 2.870 115 T HA 0.386 4.738 4.350 0.003 0.000 0.300 115 T C -0.191 174.641 174.700 0.219 0.000 0.989 115 T CA -0.903 61.272 62.100 0.126 0.000 1.139 115 T CB 0.877 69.689 68.868 -0.092 0.000 0.920 115 T HN 0.605 nan 8.240 nan 0.000 0.537 116 V N 2.460 122.447 119.914 0.121 0.000 2.455 116 V HA 0.476 4.598 4.120 0.003 0.000 0.273 116 V C -2.221 173.839 176.094 -0.057 0.000 1.045 116 V CA -2.368 60.018 62.300 0.143 0.000 0.976 116 V CB 0.270 32.195 31.823 0.169 0.000 0.993 116 V HN 0.833 nan 8.190 nan 0.000 0.475 117 P HA 0.158 nan 4.420 nan 0.000 0.269 117 P C -1.072 176.229 177.300 0.002 0.000 1.209 117 P CA 0.189 63.134 63.100 -0.259 0.000 0.776 117 P CB 0.475 31.894 31.700 -0.469 0.000 0.876 118 W N 1.952 123.216 121.300 -0.060 0.000 2.706 118 W HA 0.569 5.230 4.660 0.002 0.000 0.346 118 W C -2.752 173.759 176.519 -0.012 0.000 1.071 118 W CA -3.712 53.626 57.345 -0.012 0.000 1.206 118 W CB -1.695 27.772 29.460 0.013 0.000 1.413 118 W HN 0.215 nan 8.180 nan 0.000 0.542 119 P HA -0.111 nan 4.420 nan 0.000 0.236 119 P C 0.325 177.661 177.300 0.060 0.000 1.360 119 P CA 0.516 63.677 63.100 0.102 0.000 0.829 119 P CB -0.662 31.055 31.700 0.028 0.000 1.635 120 V N 0.015 120.028 119.914 0.165 0.000 2.479 120 V HA 0.284 4.405 4.120 0.003 0.000 0.281 120 V C 1.079 177.222 176.094 0.081 0.000 1.031 120 V CA -0.042 62.326 62.300 0.113 0.000 1.038 120 V CB -0.338 31.625 31.823 0.233 0.000 0.981 120 V HN 0.281 nan 8.190 nan 0.000 0.478 131 E N 0.581 120.777 120.200 -0.006 0.000 2.015 131 E HA -0.069 4.283 4.350 0.003 0.000 0.191 131 E C 1.575 178.097 176.600 -0.131 0.000 0.991 131 E CA 1.509 57.852 56.400 -0.096 0.000 0.802 131 E CB -0.185 29.410 29.700 -0.175 0.000 0.759 131 E HN 0.687 nan 8.360 nan 0.000 0.447 132 I N 1.287 121.775 120.570 -0.136 0.000 2.248 132 I HA -0.314 3.858 4.170 0.003 0.000 0.248 132 I C 2.465 178.589 176.117 0.011 0.000 1.107 132 I CA 1.091 62.352 61.300 -0.065 0.000 1.373 132 I CB -0.341 37.681 38.000 0.036 0.000 1.055 132 I HN 0.119 nan 8.210 nan 0.000 0.418 133 A N 0.423 123.260 122.820 0.028 0.000 2.014 133 A HA 0.013 4.335 4.320 0.003 0.000 0.218 133 A C 2.514 180.111 177.584 0.022 0.000 1.163 133 A CA 1.414 53.480 52.037 0.050 0.000 0.652 133 A CB -0.511 18.524 19.000 0.057 0.000 0.808 133 A HN 0.425 nan 8.150 nan 0.000 0.449 134 A N 0.015 122.823 122.820 -0.020 0.000 1.897 134 A HA 0.244 4.566 4.320 0.003 0.000 0.215 134 A C 2.484 180.015 177.584 -0.088 0.000 1.181 134 A CA 1.756 53.759 52.037 -0.056 0.000 0.620 134 A CB -0.963 17.991 19.000 -0.077 0.000 0.821 134 A HN 0.944 nan 8.150 nan 0.000 0.443 135 A N -0.614 122.152 122.820 -0.091 0.000 1.877 135 A HA -0.203 4.119 4.320 0.003 0.000 0.216 135 A C 2.231 179.816 177.584 0.002 0.000 1.186 135 A CA 1.744 53.705 52.037 -0.125 0.000 0.620 135 A CB -1.400 17.571 19.000 -0.048 0.000 0.822 135 A HN 0.647 nan 8.150 nan 0.000 0.443 136 C N -0.460 118.916 119.300 0.128 0.000 2.419 136 C HA -0.047 4.415 4.460 0.003 0.000 0.283 136 C C 2.530 177.642 174.990 0.202 0.000 1.373 136 C CA 1.014 60.185 59.018 0.256 0.000 1.781 136 C CB -1.110 26.766 27.740 0.226 0.000 1.886 136 C HN 0.610 nan 8.230 nan 0.000 0.520 137 E N 0.830 121.058 120.200 0.047 0.000 2.076 137 E HA -0.094 4.258 4.350 0.003 0.000 0.190 137 E C 2.200 178.730 176.600 -0.117 0.000 0.979 137 E CA 1.162 57.544 56.400 -0.030 0.000 0.807 137 E CB -0.248 29.421 29.700 -0.052 0.000 0.761 137 E HN 0.542 nan 8.360 nan 0.000 0.454 138 T N 0.714 115.146 114.554 -0.204 0.000 2.674 138 T HA -0.129 4.223 4.350 0.003 0.000 0.265 138 T C 1.503 175.980 174.700 -0.372 0.000 1.039 138 T CA 1.202 63.076 62.100 -0.377 0.000 1.150 138 T CB -0.403 68.094 68.868 -0.617 0.000 0.864 138 T HN 0.103 nan 8.240 nan 0.000 0.427 139 F N 0.831 120.715 119.950 -0.111 0.000 2.494 139 F HA 0.102 4.630 4.527 0.002 0.000 0.298 139 F C 1.824 177.638 175.800 0.022 0.000 1.106 139 F CA -0.063 57.930 58.000 -0.011 0.000 1.452 139 F CB -0.564 38.467 39.000 0.051 0.000 1.085 139 F HN 0.091 nan 8.300 nan 0.000 0.569 140 L N 1.084 122.291 121.223 -0.026 0.000 2.162 140 L HA -0.092 4.250 4.340 0.003 0.000 0.205 140 L C 2.339 179.013 176.870 -0.328 0.000 1.086 140 L CA 1.641 56.192 54.840 -0.482 0.000 0.778 140 L CB -0.796 40.950 42.059 -0.522 0.000 0.928 140 L HN 0.157 nan 8.230 nan 0.000 0.446 141 K N -0.850 119.430 120.400 -0.199 0.000 2.167 141 K HA -0.106 4.216 4.320 0.003 0.000 0.203 141 K C 2.109 178.665 176.600 -0.075 0.000 1.052 141 K CA 1.266 57.466 56.287 -0.144 0.000 0.956 141 K CB -0.727 31.684 32.500 -0.148 0.000 0.735 141 K HN 0.373 nan 8.250 nan 0.000 0.451 142 L N 1.758 122.935 121.223 -0.077 0.000 2.046 142 L HA -0.195 4.147 4.340 0.003 0.000 0.208 142 L C 2.063 178.952 176.870 0.031 0.000 1.077 142 L CA 1.868 56.695 54.840 -0.022 0.000 0.747 142 L CB -0.502 41.547 42.059 -0.016 0.000 0.896 142 L HN 0.360 nan 8.230 nan 0.000 0.432 143 N N 0.255 119.001 118.700 0.075 0.000 2.043 143 N HA -0.239 4.503 4.740 0.003 0.000 0.193 143 N C 1.500 177.063 175.510 0.087 0.000 1.037 143 N CA 1.981 55.109 53.050 0.130 0.000 0.851 143 N CB -0.056 38.493 38.487 0.103 0.000 1.027 143 N HN 0.315 nan 8.380 nan 0.000 0.422 144 D N -0.850 119.549 120.400 -0.001 0.000 2.123 144 D HA -0.207 4.435 4.640 0.003 0.000 0.196 144 D C 1.614 177.953 176.300 0.066 0.000 0.992 144 D CA 0.914 54.920 54.000 0.010 0.000 0.833 144 D CB -0.490 40.288 40.800 -0.036 0.000 0.954 144 D HN 0.380 nan 8.370 nan 0.000 0.455 145 Y N 1.861 122.145 120.300 -0.027 0.000 2.049 145 Y HA -0.210 4.342 4.550 0.004 0.000 0.277 145 Y C 2.400 178.339 175.900 0.064 0.000 1.143 145 Y CA 1.420 59.519 58.100 -0.003 0.000 1.115 145 Y CB -0.699 37.742 38.460 -0.031 0.000 0.975 145 Y HN -0.115 nan 8.280 nan 0.000 0.487 146 L N 0.236 121.465 121.223 0.010 0.000 2.081 146 L HA -0.306 4.035 4.340 0.003 0.000 0.212 146 L C 2.677 179.669 176.870 0.203 0.000 1.080 146 L CA 1.935 56.808 54.840 0.054 0.000 0.754 146 L CB -0.784 41.231 42.059 -0.073 0.000 0.893 146 L HN 0.399 nan 8.230 nan 0.000 0.433 147 Q N 0.650 120.565 119.800 0.192 0.000 2.061 147 Q HA -0.234 4.108 4.340 0.003 0.000 0.204 147 Q C 2.326 178.324 176.000 -0.003 0.000 0.984 147 Q CA 1.808 57.676 55.803 0.108 0.000 0.846 147 Q CB -0.068 28.692 28.738 0.038 0.000 0.902 147 Q HN 0.517 nan 8.270 nan 0.000 0.421 148 I N 0.898 121.431 120.570 -0.061 0.000 2.179 148 I HA -0.272 3.900 4.170 0.003 0.000 0.242 148 I C 2.196 178.226 176.117 -0.146 0.000 1.088 148 I CA 1.111 62.347 61.300 -0.107 0.000 1.357 148 I CB -0.349 37.577 38.000 -0.124 0.000 1.051 148 I HN 0.246 nan 8.210 nan 0.000 0.409 149 E N 0.439 120.502 120.200 -0.229 0.000 2.160 149 E HA -0.188 4.163 4.350 0.003 0.000 0.195 149 E C 2.156 178.619 176.600 -0.227 0.000 0.991 149 E CA 1.724 57.966 56.400 -0.264 0.000 0.810 149 E CB -0.722 28.823 29.700 -0.260 0.000 0.742 149 E HN 0.502 nan 8.360 nan 0.000 0.466 150 T N 1.879 116.422 114.554 -0.019 0.000 2.732 150 T HA -0.094 4.258 4.350 0.003 0.000 0.261 150 T C 2.168 176.844 174.700 -0.040 0.000 1.040 150 T CA 1.277 63.396 62.100 0.032 0.000 1.145 150 T CB -0.359 68.664 68.868 0.258 0.000 0.866 150 T HN 0.307 nan 8.240 nan 0.000 0.427 151 I N 1.413 121.953 120.570 -0.050 0.000 2.208 151 I HA -0.217 3.955 4.170 0.003 0.000 0.245 151 I C 2.435 178.514 176.117 -0.063 0.000 1.097 151 I CA 1.781 63.047 61.300 -0.056 0.000 1.363 151 I CB -0.948 37.017 38.000 -0.059 0.000 1.051 151 I HN 0.267 nan 8.210 nan 0.000 0.413 152 Q N 1.465 121.215 119.800 -0.083 0.000 1.956 152 Q HA -0.276 4.066 4.340 0.003 0.000 0.208 152 Q C 2.340 178.284 176.000 -0.093 0.000 0.998 152 Q CA 2.668 58.419 55.803 -0.088 0.000 0.855 152 Q CB -0.588 28.085 28.738 -0.109 0.000 0.928 152 Q HN 0.648 nan 8.270 nan 0.000 0.418 153 A N 0.371 123.108 122.820 -0.139 0.000 2.032 153 A HA -0.187 4.134 4.320 0.003 0.000 0.221 153 A C 1.982 179.519 177.584 -0.078 0.000 1.165 153 A CA 1.436 53.390 52.037 -0.140 0.000 0.645 153 A CB -0.604 18.246 19.000 -0.249 0.000 0.807 153 A HN 0.497 nan 8.150 nan 0.000 0.453 154 L N -0.540 120.649 121.223 -0.057 0.000 2.179 154 L HA -0.035 4.307 4.340 0.003 0.000 0.208 154 L C 2.234 179.089 176.870 -0.024 0.000 1.096 154 L CA 1.815 56.640 54.840 -0.025 0.000 0.779 154 L CB -0.457 41.594 42.059 -0.013 0.000 0.922 154 L HN 0.494 nan 8.230 nan 0.000 0.443 155 E N -0.762 119.418 120.200 -0.033 0.000 2.046 155 E HA -0.192 4.160 4.350 0.003 0.000 0.190 155 E C 1.919 178.503 176.600 -0.026 0.000 0.982 155 E CA 1.031 57.414 56.400 -0.027 0.000 0.800 155 E CB -0.079 29.603 29.700 -0.031 0.000 0.756 155 E HN 0.488 nan 8.360 nan 0.000 0.449 156 E N 0.551 120.730 120.200 -0.035 0.000 2.267 156 E HA -0.198 4.153 4.350 0.003 0.000 0.197 156 E C 1.950 178.536 176.600 -0.023 0.000 0.998 156 E CA 0.447 56.828 56.400 -0.032 0.000 0.830 156 E CB 0.039 29.712 29.700 -0.044 0.000 0.751 156 E HN 0.106 nan 8.360 nan 0.000 0.491 157 L N 0.339 121.551 121.223 -0.020 0.000 2.068 157 L HA 0.030 4.371 4.340 0.003 0.000 0.204 157 L C 2.181 179.049 176.870 -0.003 0.000 1.076 157 L CA 1.715 56.550 54.840 -0.008 0.000 0.753 157 L CB -0.521 41.538 42.059 -0.001 0.000 0.910 157 L HN 0.005 nan 8.230 nan 0.000 0.439 158 A N 0.299 123.116 122.820 -0.004 0.000 2.042 158 A HA -0.017 4.305 4.320 0.003 0.000 0.222 158 A C 1.625 179.208 177.584 -0.002 0.000 1.167 158 A CA 1.281 53.317 52.037 -0.002 0.000 0.649 158 A CB -1.350 17.648 19.000 -0.003 0.000 0.809 158 A HN 0.599 nan 8.150 nan 0.000 0.457 190 E N -0.148 120.050 120.200 -0.003 0.000 2.502 190 E HA 0.186 4.538 4.350 0.003 0.000 0.194 190 E C 1.710 178.305 176.600 -0.009 0.000 1.062 190 E CA 1.136 57.531 56.400 -0.007 0.000 0.867 190 E CB 0.815 30.510 29.700 -0.009 0.000 0.888 190 E HN 0.422 nan 8.360 nan 0.000 0.510 191 V N 1.070 120.981 119.914 -0.005 0.000 2.725 191 V HA -0.133 3.988 4.120 0.003 0.000 0.247 191 V C 1.158 177.250 176.094 -0.004 0.000 1.058 191 V CA 1.675 63.972 62.300 -0.004 0.000 1.080 191 V CB 0.075 31.898 31.823 0.001 0.000 0.713 191 V HN 0.040 nan 8.190 nan 0.000 0.465 192 D N 0.469 120.868 120.400 -0.001 0.000 2.117 192 D HA -0.136 4.505 4.640 0.003 0.000 0.197 192 D C 2.014 178.311 176.300 -0.005 0.000 0.987 192 D CA 1.910 55.912 54.000 0.002 0.000 0.829 192 D CB -0.198 40.607 40.800 0.007 0.000 0.961 192 D HN 0.492 nan 8.370 nan 0.000 0.460 193 I N 0.218 120.783 120.570 -0.009 0.000 2.179 193 I HA -0.267 3.904 4.170 0.003 0.000 0.242 193 I C 2.160 178.255 176.117 -0.035 0.000 1.088 193 I CA 0.996 62.285 61.300 -0.018 0.000 1.357 193 I CB -0.092 37.896 38.000 -0.019 0.000 1.051 193 I HN -0.090 nan 8.210 nan 0.000 0.409 194 K N 1.077 121.457 120.400 -0.033 0.000 2.032 194 K HA -0.176 4.145 4.320 0.003 0.000 0.209 194 K C 2.334 178.902 176.600 -0.054 0.000 1.048 194 K CA 1.985 58.245 56.287 -0.044 0.000 0.927 194 K CB -0.504 31.979 32.500 -0.029 0.000 0.712 194 K HN 0.425 nan 8.250 nan 0.000 0.441 195 S N 0.393 116.074 115.700 -0.032 0.000 2.368 195 S HA -0.127 4.344 4.470 0.003 0.000 0.224 195 S C 1.828 176.405 174.600 -0.038 0.000 1.029 195 S CA 0.752 58.938 58.200 -0.024 0.000 0.988 195 S CB -0.281 62.918 63.200 -0.001 0.000 0.838 195 S HN 0.218 nan 8.310 nan 0.000 0.462 196 R N 1.253 121.733 120.500 -0.033 0.000 2.316 196 R HA 0.224 4.565 4.340 0.003 0.000 0.202 196 R C 1.579 177.824 176.300 -0.092 0.000 1.029 196 R CA 0.857 56.943 56.100 -0.024 0.000 1.018 196 R CB -0.331 29.974 30.300 0.009 0.000 0.888 196 R HN 0.601 nan 8.270 nan 0.000 0.471 197 A N 0.427 123.131 122.820 -0.193 0.000 2.508 197 A HA 0.374 4.696 4.320 0.003 0.000 0.257 197 A C 0.733 177.901 177.584 -0.695 0.000 1.226 197 A CA -0.245 51.521 52.037 -0.451 0.000 0.947 197 A CB 0.637 19.482 19.000 -0.259 0.000 1.079 197 A HN 0.157 nan 8.150 nan 0.000 0.531 198 A N 0.728 123.329 122.820 -0.365 0.000 2.990 198 A HA 0.506 4.827 4.320 0.003 0.000 0.282 198 A C -0.477 177.042 177.584 -0.108 0.000 1.688 198 A CA -0.349 51.562 52.037 -0.210 0.000 1.391 198 A CB -1.206 17.753 19.000 -0.067 0.000 1.112 198 A HN 0.457 nan 8.150 nan 0.000 0.588 199 Y N 1.297 121.674 120.300 0.127 0.000 2.632 199 Y HA -0.041 4.513 4.550 0.006 0.000 0.329 199 Y C 1.612 177.654 175.900 0.237 0.000 1.174 199 Y CA 0.592 58.794 58.100 0.170 0.000 1.469 199 Y CB 0.438 39.036 38.460 0.230 0.000 1.242 199 Y HN 0.852 nan 8.280 nan 0.000 0.540 200 N N 1.201 120.099 118.700 0.331 0.000 2.220 200 N HA 0.194 4.935 4.740 0.003 0.000 0.195 200 N C -0.452 175.117 175.510 0.098 0.000 1.123 200 N CA 0.086 53.301 53.050 0.276 0.000 0.874 200 N CB 0.715 39.295 38.487 0.155 0.000 0.995 200 N HN 0.356 nan 8.380 nan 0.000 0.498 201 V N -3.198 116.723 119.914 0.013 0.000 3.232 201 V HA 0.671 4.793 4.120 0.003 0.000 0.303 201 V C -1.317 174.606 176.094 -0.285 0.000 1.311 201 V CA -0.639 61.477 62.300 -0.307 0.000 1.061 201 V CB 1.721 33.355 31.823 -0.316 0.000 1.085 201 V HN -0.017 nan 8.190 nan 0.000 0.447 202 T N 2.073 116.360 114.554 -0.446 0.000 3.032 202 T HA 0.627 4.978 4.350 0.003 0.000 0.312 202 T C -1.912 172.526 174.700 -0.437 0.000 1.078 202 T CA -0.318 61.464 62.100 -0.529 0.000 1.028 202 T CB 1.287 69.662 68.868 -0.822 0.000 1.091 202 T HN 1.230 nan 8.240 nan 0.000 0.457 203 L N 5.875 126.873 121.223 -0.375 0.000 2.272 203 L HA 0.699 5.041 4.340 0.003 0.000 0.289 203 L C -1.343 175.407 176.870 -0.200 0.000 1.032 203 L CA -0.545 54.136 54.840 -0.266 0.000 0.810 203 L CB 0.733 42.636 42.059 -0.260 0.000 1.205 203 L HN 0.583 nan 8.230 nan 0.000 0.422 204 L N 5.668 126.803 121.223 -0.147 0.000 2.325 204 L HA 0.558 4.899 4.340 0.003 0.000 0.279 204 L C -0.041 176.851 176.870 0.036 0.000 1.054 204 L CA 0.031 54.855 54.840 -0.027 0.000 0.804 204 L CB 1.213 43.263 42.059 -0.015 0.000 1.200 204 L HN 0.634 nan 8.230 nan 0.000 0.436 205 N N 2.036 120.775 118.700 0.065 0.000 2.321 205 N HA 0.610 5.352 4.740 0.003 0.000 0.290 205 N C -1.506 174.031 175.510 0.045 0.000 1.212 205 N CA -0.385 52.684 53.050 0.031 0.000 0.767 205 N CB 2.835 41.292 38.487 -0.049 0.000 1.494 205 N HN 0.369 nan 8.380 nan 0.000 0.479 206 F N 0.657 120.483 119.950 -0.207 0.000 2.641 206 F HA 0.657 5.185 4.527 0.002 0.000 0.308 206 F C -1.491 174.133 175.800 -0.294 0.000 1.105 206 F CA -0.615 57.126 58.000 -0.432 0.000 0.964 206 F CB 1.635 40.328 39.000 -0.511 0.000 1.294 206 F HN 0.432 nan 8.300 nan 0.000 0.442 207 M N 3.503 122.152 119.600 -1.585 0.000 2.833 207 M HA 0.406 4.887 4.480 0.003 0.000 0.270 207 M C -1.788 173.949 176.300 -0.939 0.000 1.209 207 M CA -0.176 54.530 55.300 -0.991 0.000 0.826 207 M CB 1.970 34.353 32.600 -0.361 0.000 1.657 207 M HN 0.892 nan 8.290 nan 0.000 0.492 208 D N 0.287 120.432 120.400 -0.425 0.000 5.019 208 D HA -0.094 4.548 4.640 0.003 0.000 0.304 208 D C -2.715 173.497 176.300 -0.146 0.000 2.360 208 D CA 0.458 54.335 54.000 -0.205 0.000 1.276 208 D CB -0.633 40.120 40.800 -0.079 0.000 1.079 208 D HN 0.437 nan 8.370 nan 0.000 1.254 209 P HA 0.170 nan 4.420 nan 0.000 0.264 209 P C -0.395 176.883 177.300 -0.037 0.000 1.537 209 P CA 0.590 63.677 63.100 -0.023 0.000 1.189 209 P CB -0.090 31.616 31.700 0.010 0.000 1.687 210 Q N 0.865 120.626 119.800 -0.064 0.000 2.426 210 Q HA -0.316 4.025 4.340 0.003 0.000 0.254 210 Q C 1.245 177.213 176.000 -0.053 0.000 1.017 210 Q CA 0.813 56.570 55.803 -0.077 0.000 1.083 210 Q CB -1.432 27.261 28.738 -0.076 0.000 1.552 210 Q HN 0.450 nan 8.270 nan 0.000 0.532 211 K N 0.174 120.549 120.400 -0.042 0.000 2.444 211 K HA -0.124 4.197 4.320 0.003 0.000 0.200 211 K C 0.254 176.839 176.600 -0.024 0.000 1.045 211 K CA 0.660 56.935 56.287 -0.021 0.000 0.934 211 K CB 0.147 32.641 32.500 -0.009 0.000 0.756 211 K HN 0.200 nan 8.250 nan 0.000 0.477 212 M N 1.867 121.441 119.600 -0.044 0.000 2.184 212 M HA 0.061 4.543 4.480 0.003 0.000 0.351 212 M C -1.488 174.800 176.300 -0.021 0.000 1.395 212 M CA -2.047 53.228 55.300 -0.041 0.000 1.117 212 M CB 0.654 33.207 32.600 -0.078 0.000 1.708 212 M HN -0.076 nan 8.290 nan 0.000 0.468 213 P HA -0.148 nan 4.420 nan 0.000 0.219 213 P C -0.410 176.961 177.300 0.119 0.000 1.146 213 P CA 1.488 64.615 63.100 0.045 0.000 0.808 213 P CB 0.262 31.987 31.700 0.042 0.000 0.779 214 Y N -0.783 119.483 120.300 -0.056 0.000 2.333 214 Y HA 0.394 4.946 4.550 0.003 0.000 0.319 214 Y C -1.448 174.407 175.900 -0.075 0.000 1.200 214 Y CA -1.063 56.999 58.100 -0.064 0.000 1.084 214 Y CB 0.434 38.861 38.460 -0.055 0.000 1.268 214 Y HN -0.288 nan 8.280 nan 0.000 0.422 215 L N 5.611 126.487 121.223 -0.579 0.000 2.360 215 L HA 0.491 4.832 4.340 0.003 0.000 0.271 215 L C -0.033 176.421 176.870 -0.694 0.000 1.057 215 L CA -1.097 53.449 54.840 -0.491 0.000 0.803 215 L CB 1.573 43.422 42.059 -0.351 0.000 1.207 215 L HN 0.638 nan 8.230 nan 0.000 0.445 216 K N 1.987 122.140 120.400 -0.411 0.000 2.326 216 K HA 0.126 4.448 4.320 0.003 0.000 0.275 216 K C -0.470 175.944 176.600 -0.310 0.000 1.018 216 K CA -0.268 55.825 56.287 -0.323 0.000 0.962 216 K CB 0.640 33.027 32.500 -0.188 0.000 0.953 216 K HN 0.455 nan 8.250 nan 0.000 0.475 217 E N 2.664 122.713 120.200 -0.251 0.000 2.249 217 E HA -0.001 4.350 4.350 0.003 0.000 0.280 217 E C -0.587 175.903 176.600 -0.183 0.000 1.016 217 E CA -0.596 55.679 56.400 -0.208 0.000 0.830 217 E CB 1.326 30.936 29.700 -0.150 0.000 1.081 217 E HN 0.520 nan 8.360 nan 0.000 0.395 218 E N 4.826 124.922 120.200 -0.174 0.000 2.493 218 E HA -0.044 4.307 4.350 0.003 0.000 0.255 218 E C -1.696 174.824 176.600 -0.133 0.000 0.999 218 E CA -1.030 55.290 56.400 -0.133 0.000 0.934 218 E CB 0.676 30.343 29.700 -0.056 0.000 0.940 218 E HN 0.265 nan 8.360 nan 0.000 0.473 219 P HA 0.002 nan 4.420 nan 0.000 0.253 219 P C -0.103 176.857 177.300 -0.566 0.000 1.260 219 P CA 0.479 63.291 63.100 -0.480 0.000 0.800 219 P CB 0.079 31.390 31.700 -0.649 0.000 1.162 220 Y N -2.047 118.173 120.300 -0.133 0.000 2.572 220 Y HA 0.312 4.864 4.550 0.003 0.000 0.274 220 Y C 1.335 176.768 175.900 -0.777 0.000 1.135 220 Y CA -0.039 57.708 58.100 -0.588 0.000 1.230 220 Y CB -0.133 37.700 38.460 -1.044 0.000 1.293 220 Y HN -0.240 nan 8.280 nan 0.000 0.501 221 F N -0.742 119.391 119.950 0.306 0.000 2.775 221 F HA 0.536 5.064 4.527 0.003 0.000 0.313 221 F C 1.383 177.353 175.800 0.282 0.000 1.121 221 F CA -0.390 57.773 58.000 0.271 0.000 1.206 221 F CB 0.701 39.903 39.000 0.338 0.000 1.052 221 F HN 0.005 nan 8.300 nan 0.000 0.524 222 G N 1.652 110.617 108.800 0.275 0.000 2.366 222 G HA2 -0.334 3.627 3.960 0.003 0.000 0.299 222 G HA3 -0.334 3.627 3.960 0.003 0.000 0.299 222 G C 0.627 175.728 174.900 0.334 0.000 1.020 222 G CA 0.481 45.706 45.100 0.208 0.000 1.026 222 G HN 0.460 nan 8.290 nan 0.000 0.512 223 M N 0.217 119.958 119.600 0.234 0.000 2.568 223 M HA 0.317 4.799 4.480 0.003 0.000 0.226 223 M C 1.746 177.955 176.300 -0.152 0.000 1.148 223 M CA 0.878 56.139 55.300 -0.065 0.000 1.007 223 M CB -0.129 32.374 32.600 -0.162 0.000 1.651 223 M HN 1.284 nan 8.290 nan 0.000 0.488 224 G N 1.315 110.066 108.800 -0.081 0.000 2.593 224 G HA2 -0.234 3.727 3.960 0.003 0.000 0.237 224 G HA3 -0.234 3.727 3.960 0.003 0.000 0.237 224 G C -0.628 174.145 174.900 -0.212 0.000 1.312 224 G CA -0.745 44.267 45.100 -0.147 0.000 0.896 224 G HN 0.320 nan 8.290 nan 0.000 0.574 225 K N 0.413 120.658 120.400 -0.257 0.000 2.380 225 K HA 0.592 4.914 4.320 0.003 0.000 0.267 225 K C 0.762 177.163 176.600 -0.333 0.000 0.990 225 K CA 0.964 57.069 56.287 -0.303 0.000 0.946 225 K CB 0.412 32.717 32.500 -0.325 0.000 0.937 225 K HN 0.798 nan 8.250 nan 0.000 0.491 226 M N -0.652 118.756 119.600 -0.321 0.000 2.378 226 M HA 0.558 5.040 4.480 0.003 0.000 0.289 226 M C -0.237 175.914 176.300 -0.248 0.000 1.136 226 M CA -0.747 54.366 55.300 -0.312 0.000 0.917 226 M CB 2.498 34.889 32.600 -0.348 0.000 1.669 226 M HN 0.403 nan 8.290 nan 0.000 0.461 227 A N 2.189 124.905 122.820 -0.173 0.000 2.178 227 A HA 0.527 4.849 4.320 0.003 0.000 0.211 227 A C 0.346 177.884 177.584 -0.077 0.000 1.157 227 A CA 0.367 52.363 52.037 -0.068 0.000 0.780 227 A CB 0.324 19.424 19.000 0.167 0.000 0.828 227 A HN 0.630 nan 8.150 nan 0.000 0.476 228 V N 1.158 120.998 119.914 -0.124 0.000 2.663 228 V HA 0.222 4.344 4.120 0.003 0.000 0.286 228 V C 0.018 175.985 176.094 -0.211 0.000 1.085 228 V CA -0.558 61.654 62.300 -0.148 0.000 0.916 228 V CB 1.316 33.074 31.823 -0.108 0.000 1.039 228 V HN 0.463 nan 8.190 nan 0.000 0.453 229 S N 2.677 118.256 115.700 -0.201 0.000 2.587 229 S HA 0.330 4.801 4.470 0.003 0.000 0.260 229 S C -0.139 174.408 174.600 -0.089 0.000 1.353 229 S CA -0.432 57.637 58.200 -0.217 0.000 0.995 229 S CB 0.246 63.379 63.200 -0.111 0.000 0.912 229 S HN 0.581 nan 8.310 nan 0.000 0.568 230 W N 3.043 124.346 121.300 0.004 0.000 2.476 230 W HA 0.190 4.851 4.660 0.002 0.000 0.338 230 W C 1.220 177.729 176.519 -0.016 0.000 1.328 230 W CA 0.661 57.988 57.345 -0.030 0.000 1.300 230 W CB -0.065 29.410 29.460 0.024 0.000 1.252 230 W HN 0.802 nan 8.180 nan 0.000 0.568 231 H N 0.047 119.086 119.070 -0.051 0.000 2.905 231 H HA 0.417 4.975 4.556 0.003 0.000 0.280 231 H C -1.312 173.909 175.328 -0.178 0.000 1.445 231 H CA -0.972 55.004 56.048 -0.119 0.000 1.165 231 H CB 1.131 30.856 29.762 -0.063 0.000 1.857 231 H HN 0.335 nan 8.280 nan 0.000 0.567 232 H N 0.277 119.363 119.070 0.028 0.000 2.622 232 H HA 0.250 4.808 4.556 0.003 0.000 0.363 232 H C -0.820 174.653 175.328 0.241 0.000 1.151 232 H CA -0.574 55.528 56.048 0.090 0.000 1.184 232 H CB 1.896 31.733 29.762 0.125 0.000 1.643 232 H HN 0.501 nan 8.280 nan 0.000 0.531 233 D N 2.335 122.991 120.400 0.425 0.000 2.325 233 D HA 0.084 4.725 4.640 0.003 0.000 0.251 233 D C 0.596 177.100 176.300 0.341 0.000 1.196 233 D CA -0.045 54.205 54.000 0.416 0.000 0.866 233 D CB 1.110 42.115 40.800 0.341 0.000 1.101 233 D HN 0.562 nan 8.370 nan 0.000 0.476 234 E N 0.600 120.998 120.200 0.329 0.000 2.284 234 E HA 0.373 4.724 4.350 0.003 0.000 0.255 234 E C -0.413 176.317 176.600 0.217 0.000 1.052 234 E CA -0.958 55.576 56.400 0.222 0.000 0.904 234 E CB 0.795 30.588 29.700 0.155 0.000 1.217 234 E HN 0.285 nan 8.360 nan 0.000 0.438 235 N N -0.871 117.907 118.700 0.130 0.000 2.758 235 N HA -0.175 4.567 4.740 0.003 0.000 0.248 235 N C -1.440 174.209 175.510 0.232 0.000 1.076 235 N CA -0.013 53.104 53.050 0.112 0.000 0.696 235 N CB -0.853 37.608 38.487 -0.043 0.000 0.979 235 N HN 0.229 nan 8.380 nan 0.000 0.550 236 L N 0.323 121.665 121.223 0.198 0.000 2.333 236 L HA 0.532 4.873 4.340 0.003 0.000 0.269 236 L C 0.445 177.391 176.870 0.127 0.000 1.010 236 L CA -0.939 54.012 54.840 0.185 0.000 0.818 236 L CB 1.780 43.950 42.059 0.186 0.000 1.306 236 L HN -0.103 nan 8.230 nan 0.000 0.430 237 V N 1.267 121.249 119.914 0.114 0.000 2.788 237 V HA -0.056 4.065 4.120 0.003 0.000 0.307 237 V C 0.286 176.429 176.094 0.081 0.000 1.069 237 V CA -0.304 62.047 62.300 0.086 0.000 1.173 237 V CB 0.522 32.391 31.823 0.076 0.000 0.925 237 V HN 0.810 nan 8.190 nan 0.000 0.492 238 D N 3.386 123.825 120.400 0.065 0.000 2.571 238 D HA 0.003 4.644 4.640 0.003 0.000 0.231 238 D C 1.031 177.367 176.300 0.061 0.000 1.133 238 D CA 0.306 54.341 54.000 0.058 0.000 0.862 238 D CB 0.156 40.984 40.800 0.046 0.000 1.179 238 D HN 0.567 nan 8.370 nan 0.000 0.474 239 R N 0.701 121.240 120.500 0.065 0.000 3.946 239 R HA -0.202 4.139 4.340 0.003 0.000 0.329 239 R C -0.336 176.010 176.300 0.078 0.000 1.209 239 R CA 1.058 57.198 56.100 0.068 0.000 0.909 239 R CB -2.216 28.116 30.300 0.053 0.000 1.355 239 R HN 0.527 nan 8.270 nan 0.000 0.539 240 S N -1.218 114.537 115.700 0.092 0.000 2.580 240 S HA 0.694 5.166 4.470 0.003 0.000 0.274 240 S C 0.654 175.343 174.600 0.148 0.000 1.329 240 S CA -0.423 57.842 58.200 0.108 0.000 1.036 240 S CB 1.894 65.166 63.200 0.121 0.000 0.919 240 S HN 0.445 nan 8.310 nan 0.000 0.515 241 A N 2.002 124.930 122.820 0.181 0.000 2.257 241 A HA 0.734 5.055 4.320 0.003 0.000 0.289 241 A C -0.406 177.389 177.584 0.350 0.000 1.095 241 A CA -0.780 51.407 52.037 0.249 0.000 0.836 241 A CB 0.440 19.599 19.000 0.265 0.000 1.111 241 A HN 1.008 nan 8.150 nan 0.000 0.497 242 V N -0.184 119.875 119.914 0.243 0.000 2.686 242 V HA 0.664 4.786 4.120 0.003 0.000 0.306 242 V C -0.000 176.009 176.094 -0.142 0.000 1.065 242 V CA -0.185 62.145 62.300 0.050 0.000 0.894 242 V CB 1.569 33.399 31.823 0.012 0.000 1.004 242 V HN 1.334 nan 8.190 nan 0.000 0.424 243 A N 4.074 126.632 122.820 -0.437 0.000 2.342 243 A HA 0.934 5.256 4.320 0.003 0.000 0.323 243 A C -1.072 176.170 177.584 -0.571 0.000 1.125 243 A CA -0.590 51.034 52.037 -0.688 0.000 0.785 243 A CB 1.744 20.299 19.000 -0.742 0.000 1.221 243 A HN 0.745 nan 8.150 nan 0.000 0.463 244 V N 2.406 121.885 119.914 -0.725 0.000 2.531 244 V HA 0.336 4.457 4.120 0.003 0.000 0.301 244 V C -1.293 174.653 176.094 -0.246 0.000 1.034 244 V CA -0.484 61.521 62.300 -0.493 0.000 0.865 244 V CB 1.557 32.843 31.823 -0.894 0.000 0.995 244 V HN 0.820 nan 8.190 nan 0.000 0.424 245 Y N 3.606 123.872 120.300 -0.057 0.000 2.342 245 Y HA 0.629 5.181 4.550 0.002 0.000 0.338 245 Y C 0.300 176.309 175.900 0.182 0.000 0.965 245 Y CA -0.270 57.892 58.100 0.104 0.000 1.159 245 Y CB 1.705 40.297 38.460 0.219 0.000 1.157 245 Y HN 0.618 nan 8.280 nan 0.000 0.486 246 S N 6.672 122.406 115.700 0.057 0.000 2.480 246 S HA 0.329 4.800 4.470 0.003 0.000 0.286 246 S C -1.418 173.302 174.600 0.200 0.000 1.180 246 S CA -0.403 57.875 58.200 0.130 0.000 1.075 246 S CB 0.122 63.370 63.200 0.080 0.000 0.996 246 S HN 0.730 nan 8.310 nan 0.000 0.487 247 Y N 3.975 124.332 120.300 0.095 0.000 2.749 247 Y HA 0.400 4.951 4.550 0.003 0.000 0.343 247 Y C -0.462 175.430 175.900 -0.013 0.000 1.015 247 Y CA -0.626 57.563 58.100 0.149 0.000 1.270 247 Y CB 0.450 39.078 38.460 0.280 0.000 1.097 247 Y HN 0.587 nan 8.280 nan 0.000 0.571 248 S N 4.647 120.212 115.700 -0.226 0.000 2.416 248 S HA 0.167 4.639 4.470 0.003 0.000 0.287 248 S C -0.278 174.086 174.600 -0.395 0.000 1.139 248 S CA -0.676 57.312 58.200 -0.352 0.000 1.058 248 S CB -0.368 62.748 63.200 -0.140 0.000 0.967 248 S HN 0.706 nan 8.310 nan 0.000 0.495 249 C N 3.187 122.175 119.300 -0.520 0.000 2.227 249 C HA 0.559 5.020 4.460 0.003 0.000 0.333 249 C C 0.459 175.381 174.990 -0.113 0.000 1.145 249 C CA -1.216 57.571 59.018 -0.385 0.000 1.643 249 C CB -1.514 25.989 27.740 -0.394 0.000 2.185 249 C HN 0.773 nan 8.230 nan 0.000 0.497 265 R N -0.130 120.502 120.500 0.219 0.000 2.679 265 R HA 0.378 4.720 4.340 0.003 0.000 0.268 265 R C -0.541 175.704 176.300 -0.092 0.000 1.044 265 R CA -0.231 55.819 56.100 -0.083 0.000 1.105 265 R CB 0.595 30.547 30.300 -0.581 0.000 0.989 265 R HN 0.338 nan 8.270 nan 0.000 0.447 266 D N 3.221 123.609 120.400 -0.021 0.000 2.346 266 D HA 0.088 4.729 4.640 0.003 0.000 0.260 266 D C -1.564 174.697 176.300 -0.065 0.000 1.252 266 D CA -2.501 51.503 54.000 0.006 0.000 0.895 266 D CB 1.164 42.015 40.800 0.084 0.000 1.097 266 D HN 0.334 nan 8.370 nan 0.000 0.489 267 P HA -0.155 nan 4.420 nan 0.000 0.218 267 P C 0.200 177.395 177.300 -0.175 0.000 1.152 267 P CA 1.258 64.263 63.100 -0.158 0.000 0.857 267 P CB 0.215 31.843 31.700 -0.119 0.000 0.787 268 D N -1.705 118.632 120.400 -0.105 0.000 2.349 268 D HA 0.088 4.730 4.640 0.003 0.000 0.224 268 D C 0.550 176.802 176.300 -0.081 0.000 1.029 268 D CA 0.453 54.392 54.000 -0.103 0.000 0.879 268 D CB -0.139 40.634 40.800 -0.045 0.000 0.906 268 D HN 0.223 nan 8.370 nan 0.000 0.528 269 I N -0.047 120.500 120.570 -0.038 0.000 2.530 269 I HA 0.311 4.482 4.170 0.003 0.000 0.297 269 I C -0.494 175.658 176.117 0.059 0.000 1.011 269 I CA -1.112 60.209 61.300 0.034 0.000 1.107 269 I CB 1.564 39.601 38.000 0.062 0.000 1.285 269 I HN -0.141 nan 8.210 nan 0.000 0.436 270 W N 3.529 124.804 121.300 -0.043 0.000 2.202 270 W HA 0.336 4.998 4.660 0.003 0.000 0.332 270 W C 0.019 176.483 176.519 -0.092 0.000 1.263 270 W CA 0.532 57.861 57.345 -0.028 0.000 1.223 270 W CB 0.302 29.699 29.460 -0.106 0.000 1.128 270 W HN 0.382 nan 8.180 nan 0.000 0.573 271 H N -0.202 118.883 119.070 0.024 0.000 2.985 271 H HA 0.558 5.115 4.556 0.003 0.000 0.360 271 H C -1.120 174.140 175.328 -0.114 0.000 1.221 271 H CA -1.106 54.892 56.048 -0.084 0.000 1.121 271 H CB 1.616 31.281 29.762 -0.162 0.000 1.854 271 H HN 0.210 nan 8.280 nan 0.000 0.551 272 V N 1.257 121.119 119.914 -0.086 0.000 2.495 272 V HA 0.810 4.932 4.120 0.003 0.000 0.298 272 V C 0.091 175.993 176.094 -0.320 0.000 1.031 272 V CA -0.180 61.959 62.300 -0.269 0.000 0.871 272 V CB 1.152 32.657 31.823 -0.529 0.000 0.988 272 V HN 0.909 nan 8.190 nan 0.000 0.432 273 G N 4.967 113.504 108.800 -0.439 0.000 2.412 273 G HA2 0.690 4.651 3.960 0.003 0.000 0.318 273 G HA3 0.690 4.651 3.960 0.003 0.000 0.318 273 G C -1.497 173.215 174.900 -0.314 0.000 1.146 273 G CA -0.382 44.532 45.100 -0.310 0.000 0.882 273 G HN 0.579 nan 8.290 nan 0.000 0.501 274 F N -0.303 119.814 119.950 0.278 0.000 2.601 274 F HA 0.643 5.172 4.527 0.003 0.000 0.309 274 F C 0.163 175.965 175.800 0.003 0.000 1.089 274 F CA -0.696 57.411 58.000 0.179 0.000 0.940 274 F CB 2.976 41.820 39.000 -0.260 0.000 1.273 274 F HN 0.656 nan 8.300 nan 0.000 0.450 275 K N 1.769 122.272 120.400 0.171 0.000 2.597 275 K HA 0.618 4.940 4.320 0.003 0.000 0.282 275 K C -1.973 174.644 176.600 0.028 0.000 0.975 275 K CA -0.821 55.405 56.287 -0.103 0.000 0.867 275 K CB 1.888 34.002 32.500 -0.643 0.000 1.465 275 K HN 0.571 nan 8.250 nan 0.000 0.417 276 I N 1.943 122.467 120.570 -0.077 0.000 2.474 276 I HA 0.062 4.234 4.170 0.003 0.000 0.287 276 I C 0.730 176.719 176.117 -0.214 0.000 1.048 276 I CA -0.486 60.661 61.300 -0.255 0.000 1.383 276 I CB 1.622 39.483 38.000 -0.231 0.000 1.412 276 I HN 0.724 nan 8.210 nan 0.000 0.531 277 S N 4.932 120.506 115.700 -0.209 0.000 2.558 277 S HA -0.082 4.389 4.470 0.003 0.000 0.287 277 S C 0.372 174.866 174.600 -0.177 0.000 1.321 277 S CA 0.269 58.298 58.200 -0.286 0.000 1.048 277 S CB -0.078 62.998 63.200 -0.206 0.000 0.844 277 S HN 0.713 nan 8.310 nan 0.000 0.512 278 W N 0.123 121.350 121.300 -0.122 0.000 1.453 278 W HA -0.227 4.435 4.660 0.002 0.000 0.232 278 W C 0.240 176.669 176.519 -0.149 0.000 0.953 278 W CA 0.923 58.195 57.345 -0.122 0.000 0.399 278 W CB -1.663 27.748 29.460 -0.081 0.000 1.953 278 W HN 0.691 nan 8.180 nan 0.000 1.387 279 D N 1.190 121.597 120.400 0.013 0.000 2.316 279 D HA 0.281 4.923 4.640 0.003 0.000 0.245 279 D C 0.468 176.725 176.300 -0.071 0.000 1.171 279 D CA 0.159 54.149 54.000 -0.017 0.000 0.856 279 D CB 0.705 41.496 40.800 -0.014 0.000 1.090 279 D HN 0.245 nan 8.370 nan 0.000 0.476 280 I N 2.860 123.380 120.570 -0.083 0.000 4.139 280 I HA 0.078 4.249 4.170 0.003 0.000 0.335 280 I C 0.959 177.074 176.117 -0.003 0.000 1.327 280 I CA 0.018 61.219 61.300 -0.165 0.000 1.112 280 I CB 0.317 38.121 38.000 -0.327 0.000 1.058 280 I HN 0.400 nan 8.210 nan 0.000 0.396 281 E N 0.113 120.348 120.200 0.058 0.000 2.498 281 E HA 0.145 4.496 4.350 0.003 0.000 0.203 281 E C -0.248 176.436 176.600 0.140 0.000 1.013 281 E CA -0.171 56.285 56.400 0.094 0.000 0.927 281 E CB 0.169 29.895 29.700 0.044 0.000 1.012 281 E HN 0.165 nan 8.360 nan 0.000 0.482 282 T N 5.053 119.701 114.554 0.158 0.000 2.743 282 T HA 0.243 4.595 4.350 0.003 0.000 0.292 282 T C -2.450 172.341 174.700 0.152 0.000 0.972 282 T CA -1.500 60.670 62.100 0.117 0.000 0.967 282 T CB 1.367 70.269 68.868 0.057 0.000 0.926 282 T HN 0.092 nan 8.240 nan 0.000 0.459 283 P HA 0.050 nan 4.420 nan 0.000 0.260 283 P C 0.448 177.637 177.300 -0.184 0.000 1.172 283 P CA -0.035 63.126 63.100 0.101 0.000 0.760 283 P CB 0.368 32.151 31.700 0.137 0.000 0.773 284 G N 2.942 111.270 108.800 -0.786 0.000 2.572 284 G HA2 0.395 4.357 3.960 0.003 0.000 0.261 284 G HA3 0.395 4.357 3.960 0.003 0.000 0.261 284 G C -0.788 173.964 174.900 -0.247 0.000 1.197 284 G CA -0.511 44.163 45.100 -0.710 0.000 0.870 284 G HN 0.410 nan 8.290 nan 0.000 0.548 285 L N 0.841 121.956 121.223 -0.179 0.000 2.289 285 L HA 0.594 4.935 4.340 0.003 0.000 0.285 285 L C 0.569 177.422 176.870 -0.029 0.000 1.049 285 L CA -0.327 54.435 54.840 -0.130 0.000 0.804 285 L CB 1.636 43.404 42.059 -0.486 0.000 1.195 285 L HN 0.600 nan 8.230 nan 0.000 0.428 286 A N 5.022 127.871 122.820 0.048 0.000 2.328 286 A HA 0.598 4.919 4.320 0.003 0.000 0.318 286 A C -0.643 177.044 177.584 0.171 0.000 1.347 286 A CA -0.464 51.576 52.037 0.004 0.000 0.842 286 A CB 0.100 18.962 19.000 -0.229 0.000 1.148 286 A HN 0.598 nan 8.150 nan 0.000 0.499 287 I N 2.808 123.436 120.570 0.097 0.000 2.315 287 I HA 0.549 4.721 4.170 0.003 0.000 0.291 287 I C -2.746 173.311 176.117 -0.099 0.000 1.006 287 I CA -2.445 58.905 61.300 0.083 0.000 1.265 287 I CB 1.157 39.160 38.000 0.004 0.000 1.387 287 I HN 0.222 nan 8.210 nan 0.000 0.475 288 P HA 0.111 nan 4.420 nan 0.000 0.265 288 P C -1.270 175.739 177.300 -0.484 0.000 1.193 288 P CA 0.056 62.705 63.100 -0.753 0.000 0.765 288 P CB 0.429 31.849 31.700 -0.467 0.000 0.823 289 L N 4.980 125.874 121.223 -0.549 0.000 2.342 289 L HA 0.362 4.704 4.340 0.003 0.000 0.276 289 L C -0.080 176.591 176.870 -0.332 0.000 0.997 289 L CA -0.275 54.403 54.840 -0.269 0.000 0.838 289 L CB 0.551 42.565 42.059 -0.074 0.000 1.224 289 L HN 0.464 nan 8.230 nan 0.000 0.416 290 H N 0.830 119.899 119.070 -0.001 0.000 2.567 290 H HA 0.355 4.913 4.556 0.002 0.000 0.345 290 H C -0.325 175.006 175.328 0.005 0.000 1.169 290 H CA -0.724 55.327 56.048 0.004 0.000 1.227 290 H CB 1.067 30.830 29.762 0.001 0.000 1.607 290 H HN 0.480 nan 8.280 nan 0.000 0.534 291 Q N 1.176 121.065 119.800 0.148 0.000 2.388 291 Q HA 0.002 4.343 4.340 0.003 0.000 0.302 291 Q C 0.536 176.566 176.000 0.050 0.000 1.149 291 Q CA 1.112 56.993 55.803 0.129 0.000 1.014 291 Q CB -0.479 28.343 28.738 0.141 0.000 1.072 291 Q HN 1.046 nan 8.270 nan 0.000 0.395 292 G N 3.513 112.311 108.800 -0.003 0.000 2.201 292 G HA2 -0.177 3.784 3.960 0.003 0.000 0.212 292 G HA3 -0.177 3.784 3.960 0.003 0.000 0.212 292 G C -0.394 174.417 174.900 -0.148 0.000 0.994 292 G CA -0.092 44.889 45.100 -0.198 0.000 0.644 292 G HN 0.659 nan 8.290 nan 0.000 0.508 293 D N 0.360 120.723 120.400 -0.061 0.000 2.341 293 D HA 0.554 5.196 4.640 0.003 0.000 0.245 293 D C 0.356 176.649 176.300 -0.012 0.000 1.106 293 D CA 0.406 54.429 54.000 0.039 0.000 0.905 293 D CB 1.380 42.253 40.800 0.121 0.000 1.202 293 D HN 0.256 nan 8.370 nan 0.000 0.426 294 C N 1.929 121.295 119.300 0.110 0.000 2.498 294 C HA 0.589 5.051 4.460 0.003 0.000 0.316 294 C C -0.699 174.440 174.990 0.249 0.000 1.209 294 C CA -0.948 58.116 59.018 0.077 0.000 1.518 294 C CB 0.150 27.950 27.740 0.100 0.000 2.147 294 C HN 0.614 nan 8.230 nan 0.000 0.483 295 Y N -0.178 120.126 120.300 0.007 0.000 2.512 295 Y HA 0.910 5.462 4.550 0.003 0.000 0.348 295 Y C -1.467 174.420 175.900 -0.022 0.000 0.990 295 Y CA -1.627 56.572 58.100 0.164 0.000 1.033 295 Y CB 0.707 39.266 38.460 0.165 0.000 1.259 295 Y HN 0.467 nan 8.280 nan 0.000 0.461 296 F N 2.665 122.739 119.950 0.207 0.000 2.532 296 F HA 0.681 5.209 4.527 0.002 0.000 0.321 296 F C -0.391 175.494 175.800 0.142 0.000 1.089 296 F CA -1.538 56.526 58.000 0.107 0.000 0.926 296 F CB 2.293 41.349 39.000 0.094 0.000 1.168 296 F HN 0.432 nan 8.300 nan 0.000 0.459 297 M N 4.604 124.360 119.600 0.260 0.000 2.125 297 M HA 0.546 5.028 4.480 0.003 0.000 0.321 297 M C -1.245 175.163 176.300 0.180 0.000 0.983 297 M CA -0.279 55.128 55.300 0.178 0.000 0.934 297 M CB 1.530 34.223 32.600 0.155 0.000 1.542 297 M HN 0.402 nan 8.290 nan 0.000 0.424 298 L N 1.366 122.673 121.223 0.140 0.000 2.333 298 L HA 0.633 4.974 4.340 0.003 0.000 0.269 298 L C 0.160 177.086 176.870 0.093 0.000 1.010 298 L CA -0.682 54.234 54.840 0.127 0.000 0.818 298 L CB 1.636 43.758 42.059 0.105 0.000 1.306 298 L HN 0.739 nan 8.230 nan 0.000 0.430 299 D N 1.297 121.750 120.400 0.089 0.000 3.528 299 D HA -0.303 4.339 4.640 0.003 0.000 0.163 299 D C 0.510 176.860 176.300 0.084 0.000 1.069 299 D CA 1.988 56.032 54.000 0.073 0.000 1.082 299 D CB -0.275 40.559 40.800 0.056 0.000 0.538 299 D HN 0.958 nan 8.370 nan 0.000 0.579 300 D N 0.300 120.748 120.400 0.079 0.000 2.319 300 D HA 0.023 4.665 4.640 0.003 0.000 0.230 300 D C 2.093 178.473 176.300 0.135 0.000 1.094 300 D CA 0.106 54.162 54.000 0.093 0.000 0.856 300 D CB -0.302 40.545 40.800 0.079 0.000 0.915 300 D HN 0.401 nan 8.370 nan 0.000 0.517 301 L N 1.288 122.585 121.223 0.124 0.000 2.012 301 L HA -0.193 4.148 4.340 0.003 0.000 0.210 301 L C 1.870 178.897 176.870 0.263 0.000 1.073 301 L CA 1.804 56.727 54.840 0.139 0.000 0.748 301 L CB -1.054 41.007 42.059 0.003 0.000 0.891 301 L HN 0.023 nan 8.230 nan 0.000 0.431 302 N N -0.528 118.306 118.700 0.224 0.000 2.348 302 N HA -0.155 4.587 4.740 0.003 0.000 0.185 302 N C 1.548 177.230 175.510 0.286 0.000 1.019 302 N CA 1.422 54.646 53.050 0.289 0.000 0.880 302 N CB -0.085 38.532 38.487 0.218 0.000 0.965 302 N HN 0.540 nan 8.380 nan 0.000 0.437 303 A N -1.188 121.719 122.820 0.146 0.000 1.997 303 A HA 0.036 4.357 4.320 0.003 0.000 0.212 303 A C 2.157 179.767 177.584 0.044 0.000 1.178 303 A CA 1.390 53.397 52.037 -0.050 0.000 0.698 303 A CB -0.764 18.226 19.000 -0.017 0.000 0.842 303 A HN 0.503 nan 8.150 nan 0.000 0.458 304 T N -2.585 112.098 114.554 0.215 0.000 3.035 304 T HA 0.138 4.489 4.350 0.003 0.000 0.259 304 T C 0.598 175.336 174.700 0.063 0.000 1.078 304 T CA 0.734 62.925 62.100 0.153 0.000 1.132 304 T CB -0.306 68.654 68.868 0.154 0.000 0.900 304 T HN 0.467 nan 8.240 nan 0.000 0.480 305 H N 0.493 119.728 119.070 0.274 0.000 2.670 305 H HA 0.699 5.257 4.556 0.003 0.000 0.361 305 H C -0.411 175.082 175.328 0.275 0.000 1.169 305 H CA -0.872 55.337 56.048 0.269 0.000 1.198 305 H CB 1.152 31.112 29.762 0.330 0.000 1.700 305 H HN 0.210 nan 8.280 nan 0.000 0.542 306 Q N 1.417 121.317 119.800 0.167 0.000 2.248 306 Q HA 0.356 4.698 4.340 0.003 0.000 0.263 306 Q C -0.567 175.614 176.000 0.301 0.000 1.007 306 Q CA -1.053 54.721 55.803 -0.047 0.000 0.877 306 Q CB 2.324 30.912 28.738 -0.250 0.000 1.315 306 Q HN 0.743 nan 8.270 nan 0.000 0.454 307 H N -1.589 117.523 119.070 0.069 0.000 2.985 307 H HA 0.716 5.274 4.556 0.003 0.000 0.360 307 H C -0.937 174.285 175.328 -0.175 0.000 1.221 307 H CA -1.078 54.897 56.048 -0.121 0.000 1.121 307 H CB 1.105 30.465 29.762 -0.671 0.000 1.854 307 H HN 0.916 nan 8.280 nan 0.000 0.551 308 C N -0.331 118.633 119.300 -0.561 0.000 3.336 308 C HA 0.841 5.303 4.460 0.003 0.000 0.352 308 C C -0.882 173.879 174.990 -0.382 0.000 1.567 308 C CA -0.791 57.864 59.018 -0.605 0.000 1.328 308 C CB 1.227 28.265 27.740 -1.170 0.000 1.922 308 C HN 0.577 nan 8.230 nan 0.000 0.439 309 V N 2.774 122.527 119.914 -0.269 0.000 2.398 309 V HA 0.356 4.478 4.120 0.003 0.000 0.282 309 V C -0.547 175.470 176.094 -0.129 0.000 1.014 309 V CA -0.242 62.001 62.300 -0.095 0.000 0.838 309 V CB 1.086 32.950 31.823 0.069 0.000 1.018 309 V HN 0.747 nan 8.190 nan 0.000 0.432 310 L N 3.742 124.849 121.223 -0.193 0.000 2.453 310 L HA 0.480 4.822 4.340 0.003 0.000 0.272 310 L C 0.893 177.534 176.870 -0.383 0.000 1.182 310 L CA 0.619 55.284 54.840 -0.292 0.000 0.858 310 L CB 0.510 42.374 42.059 -0.326 0.000 1.120 310 L HN 0.707 nan 8.230 nan 0.000 0.474 311 A N 2.714 125.168 122.820 -0.611 0.000 2.322 311 A HA 0.665 4.986 4.320 0.003 0.000 0.269 311 A C 0.648 177.448 177.584 -1.307 0.000 1.094 311 A CA 0.242 51.520 52.037 -1.265 0.000 0.807 311 A CB 0.674 19.157 19.000 -0.862 0.000 1.047 311 A HN 0.854 nan 8.150 nan 0.000 0.487 312 G N -0.693 106.832 108.800 -2.124 0.000 2.782 312 G HA2 0.423 4.385 3.960 0.003 0.000 0.201 312 G HA3 0.423 4.385 3.960 0.003 0.000 0.201 312 G C 0.981 175.522 174.900 -0.598 0.000 1.374 312 G CA 0.548 44.947 45.100 -1.167 0.000 1.039 312 G HN 1.313 nan 8.290 nan 0.000 0.576 313 S N -1.866 113.672 115.700 -0.269 0.000 2.506 313 S HA 0.225 4.696 4.470 0.003 0.000 0.219 313 S C 0.770 175.357 174.600 -0.023 0.000 1.031 313 S CA 0.004 58.124 58.200 -0.133 0.000 0.911 313 S CB 0.180 63.329 63.200 -0.085 0.000 0.812 313 S HN 0.393 nan 8.310 nan 0.000 0.497 314 Q N 1.621 121.475 119.800 0.090 0.000 2.194 314 Q HA 0.597 4.939 4.340 0.003 0.000 0.245 314 Q C -2.858 173.284 176.000 0.237 0.000 0.993 314 Q CA -2.292 53.591 55.803 0.134 0.000 0.930 314 Q CB 0.234 29.043 28.738 0.117 0.000 1.238 314 Q HN 0.167 nan 8.270 nan 0.000 0.486 315 P HA 0.388 nan 4.420 nan 0.000 0.279 315 P C -0.842 176.257 177.300 -0.335 0.000 1.252 315 P CA -0.407 62.605 63.100 -0.146 0.000 0.811 315 P CB 0.984 32.625 31.700 -0.099 0.000 1.035 316 R N 1.309 121.358 120.500 -0.751 0.000 2.668 316 R HA 0.571 4.912 4.340 0.003 0.000 0.272 316 R C -1.448 174.417 176.300 -0.725 0.000 1.019 316 R CA -0.549 55.036 56.100 -0.858 0.000 0.894 316 R CB 1.020 30.385 30.300 -1.559 0.000 1.228 316 R HN 0.275 nan 8.270 nan 0.000 0.460 317 F N 0.352 120.062 119.950 -0.399 0.000 2.572 317 F HA 0.646 5.175 4.527 0.003 0.000 0.342 317 F C -0.009 175.512 175.800 -0.465 0.000 1.064 317 F CA -0.085 57.647 58.000 -0.446 0.000 1.008 317 F CB 2.237 40.703 39.000 -0.889 0.000 1.303 317 F HN 0.651 nan 8.300 nan 0.000 0.492 318 S N -0.206 115.366 115.700 -0.212 0.000 2.606 318 S HA 0.484 4.956 4.470 0.003 0.000 0.290 318 S C -1.469 173.261 174.600 0.216 0.000 1.103 318 S CA -0.889 57.352 58.200 0.068 0.000 0.870 318 S CB 0.818 64.027 63.200 0.014 0.000 1.077 318 S HN 0.986 nan 8.310 nan 0.000 0.448 319 S N 0.897 116.819 115.700 0.370 0.000 2.640 319 S HA 0.679 5.151 4.470 0.003 0.000 0.320 319 S C -0.216 174.453 174.600 0.115 0.000 1.097 319 S CA -0.235 58.075 58.200 0.184 0.000 1.092 319 S CB 0.839 64.154 63.200 0.191 0.000 0.988 319 S HN 1.596 nan 8.310 nan 0.000 0.470 320 T N 1.378 115.886 114.554 -0.077 0.000 2.811 320 T HA 0.353 4.705 4.350 0.003 0.000 0.309 320 T C -0.176 174.373 174.700 -0.252 0.000 1.005 320 T CA -0.611 61.417 62.100 -0.120 0.000 0.955 320 T CB -0.341 68.459 68.868 -0.113 0.000 0.970 320 T HN 0.749 nan 8.240 nan 0.000 0.496 321 H N 3.719 122.582 119.070 -0.345 0.000 2.646 321 H HA 0.450 5.007 4.556 0.002 0.000 0.325 321 H C 0.505 175.500 175.328 -0.556 0.000 1.075 321 H CA -0.557 55.224 56.048 -0.446 0.000 1.421 321 H CB 1.023 30.415 29.762 -0.617 0.000 1.461 321 H HN 0.564 nan 8.280 nan 0.000 0.525 322 R N 1.271 121.661 120.500 -0.183 0.000 2.855 322 R HA 0.465 4.807 4.340 0.003 0.000 0.266 322 R C -1.091 175.369 176.300 0.267 0.000 1.034 322 R CA -1.071 55.046 56.100 0.028 0.000 0.944 322 R CB 1.687 31.900 30.300 -0.145 0.000 1.219 322 R HN 0.218 nan 8.270 nan 0.000 0.474 323 V N 1.740 121.812 119.914 0.263 0.000 2.220 323 V HA 0.353 4.475 4.120 0.003 0.000 0.265 323 V C 0.062 176.233 176.094 0.129 0.000 1.078 323 V CA -0.804 61.614 62.300 0.196 0.000 0.872 323 V CB 0.673 32.586 31.823 0.150 0.000 1.121 323 V HN 0.872 nan 8.190 nan 0.000 0.460 324 A N 3.359 126.235 122.820 0.094 0.000 2.511 324 A HA 0.396 4.718 4.320 0.003 0.000 0.242 324 A C 0.596 178.264 177.584 0.140 0.000 1.069 324 A CA -0.134 51.993 52.037 0.149 0.000 0.763 324 A CB 0.142 19.243 19.000 0.169 0.000 1.001 324 A HN 0.997 nan 8.150 nan 0.000 0.498 325 E N 1.291 121.578 120.200 0.145 0.000 2.104 325 E HA 0.227 4.579 4.350 0.003 0.000 0.278 325 E C 0.224 176.871 176.600 0.078 0.000 1.127 325 E CA -0.044 56.413 56.400 0.094 0.000 0.897 325 E CB -0.234 29.514 29.700 0.079 0.000 1.043 325 E HN 0.611 nan 8.360 nan 0.000 0.410 326 C N 2.796 122.136 119.300 0.068 0.000 2.647 326 C HA 0.484 4.946 4.460 0.003 0.000 0.296 326 C C 0.575 175.573 174.990 0.014 0.000 1.403 326 C CA -0.299 58.756 59.018 0.061 0.000 1.781 326 C CB -1.855 25.945 27.740 0.099 0.000 2.464 326 C HN 0.623 nan 8.230 nan 0.000 0.559 327 S N 0.599 116.280 115.700 -0.031 0.000 2.585 327 S HA 0.392 4.864 4.470 0.003 0.000 0.273 327 S C 1.000 175.413 174.600 -0.312 0.000 1.339 327 S CA 0.973 59.106 58.200 -0.111 0.000 1.028 327 S CB 0.582 63.742 63.200 -0.066 0.000 0.906 327 S HN 1.981 nan 8.310 nan 0.000 0.528 328 T N -1.690 112.345 114.554 -0.865 0.000 4.881 328 T HA -0.189 4.162 4.350 0.003 0.000 0.318 328 T C 0.839 175.326 174.700 -0.355 0.000 1.054 328 T CA 1.631 62.803 62.100 -1.546 0.000 2.138 328 T CB -2.221 66.267 68.868 -0.633 0.000 2.039 328 T HN 1.782 nan 8.240 nan 0.000 0.926 329 G N -0.121 108.666 108.800 -0.023 0.000 3.695 329 G HA2 0.469 4.430 3.960 0.003 0.000 0.277 329 G HA3 0.469 4.430 3.960 0.003 0.000 0.277 329 G C 0.226 175.443 174.900 0.529 0.000 1.001 329 G CA 0.491 45.764 45.100 0.288 0.000 0.837 329 G HN 1.277 nan 8.290 nan 0.000 0.492 330 T N -2.390 112.498 114.554 0.558 0.000 2.942 330 T HA 0.479 4.831 4.350 0.003 0.000 0.289 330 T C 1.142 176.115 174.700 0.454 0.000 1.044 330 T CA -0.698 61.728 62.100 0.543 0.000 1.023 330 T CB 2.052 71.115 68.868 0.325 0.000 1.123 330 T HN -0.057 nan 8.240 nan 0.000 0.512 331 L N 0.808 122.290 121.223 0.431 0.000 2.079 331 L HA 0.011 4.353 4.340 0.003 0.000 0.210 331 L C 1.731 178.621 176.870 0.032 0.000 1.081 331 L CA 2.052 57.006 54.840 0.190 0.000 0.752 331 L CB -1.062 41.178 42.059 0.301 0.000 0.896 331 L HN 0.745 nan 8.230 nan 0.000 0.433 332 D N -1.683 118.784 120.400 0.111 0.000 2.117 332 D HA -0.252 4.389 4.640 0.003 0.000 0.197 332 D C 1.948 178.269 176.300 0.034 0.000 0.987 332 D CA 1.746 55.783 54.000 0.062 0.000 0.829 332 D CB -0.391 40.468 40.800 0.098 0.000 0.961 332 D HN 0.542 nan 8.370 nan 0.000 0.460 333 Y N 0.926 121.227 120.300 0.003 0.000 2.145 333 Y HA -0.195 4.356 4.550 0.002 0.000 0.286 333 Y C 2.116 177.962 175.900 -0.090 0.000 1.145 333 Y CA 1.148 59.247 58.100 -0.002 0.000 1.148 333 Y CB -0.441 38.064 38.460 0.074 0.000 0.981 333 Y HN -0.068 nan 8.280 nan 0.000 0.507 334 I N 0.149 120.464 120.570 -0.426 0.000 2.394 334 I HA -0.226 3.946 4.170 0.003 0.000 0.251 334 I C 2.108 177.939 176.117 -0.477 0.000 1.136 334 I CA 1.211 62.098 61.300 -0.689 0.000 1.425 334 I CB -0.553 36.744 38.000 -1.171 0.000 1.079 334 I HN 0.387 nan 8.210 nan 0.000 0.425 335 L N -0.336 120.690 121.223 -0.329 0.000 1.994 335 L HA -0.267 4.074 4.340 0.003 0.000 0.208 335 L C 2.577 179.327 176.870 -0.200 0.000 1.071 335 L CA 1.623 56.333 54.840 -0.217 0.000 0.745 335 L CB -0.749 41.226 42.059 -0.141 0.000 0.892 335 L HN 0.300 nan 8.230 nan 0.000 0.431 336 Q N -0.602 119.081 119.800 -0.195 0.000 2.112 336 Q HA -0.226 4.115 4.340 0.003 0.000 0.206 336 Q C 2.349 178.229 176.000 -0.199 0.000 0.987 336 Q CA 1.264 56.970 55.803 -0.162 0.000 0.858 336 Q CB -0.171 28.494 28.738 -0.122 0.000 0.905 336 Q HN 0.363 nan 8.270 nan 0.000 0.420 337 R N 0.137 120.441 120.500 -0.327 0.000 2.103 337 R HA -0.146 4.195 4.340 0.003 0.000 0.242 337 R C 2.273 178.468 176.300 -0.175 0.000 1.142 337 R CA 1.174 57.100 56.100 -0.290 0.000 0.960 337 R CB -1.033 29.001 30.300 -0.443 0.000 0.858 337 R HN 0.386 nan 8.270 nan 0.000 0.439 338 C N 0.341 119.533 119.300 -0.179 0.000 2.462 338 C HA -0.080 4.382 4.460 0.003 0.000 0.278 338 C C 2.764 177.693 174.990 -0.101 0.000 1.253 338 C CA 0.489 59.433 59.018 -0.123 0.000 1.713 338 C CB -0.902 26.764 27.740 -0.123 0.000 2.049 338 C HN 0.541 nan 8.230 nan 0.000 0.477 339 Q N 0.165 119.903 119.800 -0.103 0.000 2.248 339 Q HA -0.202 4.140 4.340 0.003 0.000 0.208 339 Q C 2.158 178.115 176.000 -0.071 0.000 0.984 339 Q CA 1.186 56.940 55.803 -0.081 0.000 0.875 339 Q CB -0.263 28.430 28.738 -0.075 0.000 0.910 339 Q HN 0.690 nan 8.270 nan 0.000 0.433 340 L N -0.150 121.028 121.223 -0.076 0.000 2.072 340 L HA -0.104 4.238 4.340 0.003 0.000 0.205 340 L C 2.185 179.024 176.870 -0.052 0.000 1.079 340 L CA 1.525 56.330 54.840 -0.058 0.000 0.752 340 L CB -0.673 41.351 42.059 -0.058 0.000 0.906 340 L HN 0.278 nan 8.230 nan 0.000 0.436 341 A N -0.054 122.733 122.820 -0.055 0.000 1.897 341 A HA -0.123 4.199 4.320 0.003 0.000 0.215 341 A C 2.041 179.588 177.584 -0.062 0.000 1.181 341 A CA 0.915 52.923 52.037 -0.047 0.000 0.620 341 A CB -0.597 18.380 19.000 -0.038 0.000 0.821 341 A HN 0.480 nan 8.150 nan 0.000 0.443 342 L N -0.304 120.877 121.223 -0.071 0.000 2.622 342 L HA -0.118 4.223 4.340 0.003 0.000 0.233 342 L C 2.246 179.074 176.870 -0.069 0.000 1.156 342 L CA 0.432 55.227 54.840 -0.076 0.000 0.866 342 L CB -0.419 41.593 42.059 -0.078 0.000 0.980 342 L HN 0.521 nan 8.230 nan 0.000 0.448 343 Q N -0.243 119.519 119.800 -0.063 0.000 2.436 343 Q HA -0.148 4.194 4.340 0.003 0.000 0.209 343 Q C 1.225 177.185 176.000 -0.067 0.000 0.965 343 Q CA 0.688 56.456 55.803 -0.058 0.000 0.910 343 Q CB 0.003 28.712 28.738 -0.049 0.000 0.980 343 Q HN 0.359 nan 8.270 nan 0.000 0.491 344 N N -0.104 118.549 118.700 -0.079 0.000 2.268 344 N HA 0.021 4.763 4.740 0.003 0.000 0.204 344 N C -1.064 174.374 175.510 -0.120 0.000 1.124 344 N CA -0.141 52.846 53.050 -0.105 0.000 0.838 344 N CB 1.014 39.432 38.487 -0.116 0.000 0.994 344 N HN -0.033 nan 8.380 nan 0.000 0.489 345 V N 0.093 119.951 119.914 -0.094 0.000 2.588 345 V HA 0.419 4.541 4.120 0.003 0.000 0.304 345 V C -0.360 175.693 176.094 -0.068 0.000 1.042 345 V CA -0.984 61.264 62.300 -0.086 0.000 0.877 345 V CB 0.953 32.728 31.823 -0.081 0.000 0.996 345 V HN 0.091 nan 8.190 nan 0.000 0.425 346 C N 6.421 125.685 119.300 -0.059 0.000 2.592 346 C HA 0.196 4.658 4.460 0.003 0.000 0.408 346 C C 1.173 176.137 174.990 -0.044 0.000 1.436 346 C CA 0.239 59.230 59.018 -0.046 0.000 1.595 346 C CB -0.969 26.750 27.740 -0.035 0.000 2.487 346 C HN 0.948 nan 8.230 nan 0.000 0.610 347 D N 1.301 121.676 120.400 -0.042 0.000 2.525 347 D HA 0.006 4.648 4.640 0.003 0.000 0.229 347 D C 0.508 176.787 176.300 -0.036 0.000 1.202 347 D CA -0.141 53.834 54.000 -0.042 0.000 0.828 347 D CB -0.142 40.631 40.800 -0.044 0.000 1.008 347 D HN 0.458 nan 8.370 nan 0.000 0.493 348 D N 0.638 121.019 120.400 -0.031 0.000 2.097 348 D HA -0.077 4.564 4.640 0.003 0.000 0.195 348 D C 0.884 177.167 176.300 -0.028 0.000 0.989 348 D CA 0.875 54.859 54.000 -0.027 0.000 0.827 348 D CB 0.526 41.312 40.800 -0.023 0.000 0.966 348 D HN 0.221 nan 8.370 nan 0.000 0.456 349 V N -0.003 119.894 119.914 -0.030 0.000 3.078 349 V HA 0.276 4.398 4.120 0.003 0.000 0.311 349 V C -1.670 174.403 176.094 -0.035 0.000 1.138 349 V CA -0.880 61.401 62.300 -0.030 0.000 1.007 349 V CB 2.487 34.294 31.823 -0.026 0.000 1.045 349 V HN -0.166 nan 8.190 nan 0.000 0.432 350 D N 3.479 123.857 120.400 -0.037 0.000 2.557 350 D HA 0.364 5.006 4.640 0.003 0.000 0.236 350 D C -0.099 176.175 176.300 -0.042 0.000 1.154 350 D CA -0.176 53.798 54.000 -0.043 0.000 0.985 350 D CB 0.012 40.785 40.800 -0.044 0.000 1.010 350 D HN 0.798 nan 8.370 nan 0.000 0.516 351 N N 0.011 118.685 118.700 -0.042 0.000 3.369 351 N HA 0.295 5.037 4.740 0.003 0.000 0.362 351 N C -0.073 175.410 175.510 -0.046 0.000 1.523 351 N CA -0.641 52.385 53.050 -0.040 0.000 0.684 351 N CB 0.427 38.895 38.487 -0.032 0.000 1.796 351 N HN -0.144 nan 8.380 nan 0.000 0.641 352 D N -1.419 118.958 120.400 -0.040 0.000 2.424 352 D HA 0.138 4.779 4.640 0.003 0.000 0.220 352 D C -0.788 175.498 176.300 -0.023 0.000 1.150 352 D CA 0.096 54.072 54.000 -0.039 0.000 0.831 352 D CB -0.043 40.733 40.800 -0.040 0.000 0.981 352 D HN 0.368 nan 8.370 nan 0.000 0.500 353 D N 1.175 121.562 120.400 -0.021 0.000 3.168 353 D HA 0.063 4.704 4.640 0.003 0.000 0.255 353 D C 0.218 176.515 176.300 -0.006 0.000 1.314 353 D CA -0.134 53.860 54.000 -0.010 0.000 0.900 353 D CB 0.991 41.783 40.800 -0.013 0.000 1.072 353 D HN -0.045 nan 8.370 nan 0.000 0.487 354 V N 1.723 121.633 119.914 -0.007 0.000 2.493 354 V HA 0.019 4.141 4.120 0.003 0.000 0.292 354 V C 0.823 176.925 176.094 0.014 0.000 1.016 354 V CA 0.072 62.365 62.300 -0.012 0.000 1.097 354 V CB 0.243 32.050 31.823 -0.026 0.000 0.947 354 V HN 0.298 nan 8.190 nan 0.000 0.479 355 S N 5.987 121.687 115.700 0.000 0.000 2.500 355 S HA 0.786 5.257 4.470 0.003 0.000 0.301 355 S C -0.852 173.723 174.600 -0.042 0.000 1.092 355 S CA -0.970 57.240 58.200 0.017 0.000 1.030 355 S CB 1.579 64.791 63.200 0.021 0.000 1.031 355 S HN 0.452 nan 8.310 nan 0.000 0.483 356 L N 2.903 124.072 121.223 -0.091 0.000 2.312 356 L HA 0.456 4.798 4.340 0.003 0.000 0.281 356 L C 1.245 177.920 176.870 -0.324 0.000 1.070 356 L CA -0.801 53.867 54.840 -0.287 0.000 0.805 356 L CB 0.853 42.564 42.059 -0.580 0.000 1.174 356 L HN 0.784 nan 8.230 nan 0.000 0.434 357 K N 0.958 121.206 120.400 -0.253 0.000 2.288 357 K HA -0.018 4.304 4.320 0.003 0.000 0.201 357 K C 0.473 176.938 176.600 -0.226 0.000 1.048 357 K CA 0.669 56.847 56.287 -0.181 0.000 0.956 357 K CB 0.128 32.556 32.500 -0.120 0.000 0.746 357 K HN 0.740 nan 8.250 nan 0.000 0.461 358 S N -1.168 114.287 115.700 -0.408 0.000 2.567 358 S HA 0.364 4.836 4.470 0.003 0.000 0.270 358 S C -1.040 173.193 174.600 -0.612 0.000 1.152 358 S CA -0.986 56.998 58.200 -0.360 0.000 0.835 358 S CB 0.397 63.517 63.200 -0.133 0.000 1.115 358 S HN 0.041 nan 8.310 nan 0.000 0.459 359 F N 0.694 120.649 119.950 0.008 0.000 2.850 359 F HA 0.390 4.919 4.527 0.003 0.000 0.329 359 F C 0.358 176.164 175.800 0.011 0.000 1.182 359 F CA -0.598 57.408 58.000 0.010 0.000 1.270 359 F CB 0.470 39.477 39.000 0.011 0.000 0.979 359 F HN 0.572 nan 8.300 nan 0.000 0.506 360 E N 3.918 124.172 120.200 0.090 0.000 2.292 360 E HA -0.001 4.350 4.350 0.003 0.000 0.265 360 E C -1.401 175.237 176.600 0.064 0.000 1.093 360 E CA -1.309 55.132 56.400 0.068 0.000 0.922 360 E CB 0.378 30.096 29.700 0.030 0.000 1.001 360 E HN 0.095 nan 8.360 nan 0.000 0.444 361 P HA -0.362 nan 4.420 nan 0.000 0.219 361 P C 0.923 178.252 177.300 0.048 0.000 1.151 361 P CA 1.823 64.961 63.100 0.062 0.000 0.850 361 P CB 0.278 32.009 31.700 0.052 0.000 0.784 362 A N -0.383 122.460 122.820 0.039 0.000 1.872 362 A HA -0.065 4.257 4.320 0.003 0.000 0.214 362 A C 2.509 180.109 177.584 0.027 0.000 1.187 362 A CA 1.680 53.736 52.037 0.032 0.000 0.614 362 A CB -1.416 17.601 19.000 0.027 0.000 0.826 362 A HN 0.098 nan 8.150 nan 0.000 0.442 363 V N -0.197 119.727 119.914 0.017 0.000 2.515 363 V HA -0.191 3.930 4.120 0.003 0.000 0.250 363 V C 2.444 178.542 176.094 0.007 0.000 1.058 363 V CA 1.622 63.924 62.300 0.002 0.000 1.064 363 V CB -0.723 31.085 31.823 -0.024 0.000 0.675 363 V HN 0.448 nan 8.190 nan 0.000 0.461 364 L N -0.589 120.648 121.223 0.022 0.000 2.093 364 L HA -0.068 4.274 4.340 0.003 0.000 0.208 364 L C 2.412 179.311 176.870 0.049 0.000 1.085 364 L CA 1.641 56.504 54.840 0.038 0.000 0.755 364 L CB -0.858 41.242 42.059 0.070 0.000 0.904 364 L HN 0.166 nan 8.230 nan 0.000 0.435 365 K N -0.167 120.262 120.400 0.048 0.000 1.987 365 K HA -0.274 4.047 4.320 0.003 0.000 0.216 365 K C 2.103 178.739 176.600 0.059 0.000 1.051 365 K CA 1.988 58.307 56.287 0.053 0.000 0.942 365 K CB -0.483 32.046 32.500 0.048 0.000 0.722 365 K HN 0.443 nan 8.250 nan 0.000 0.444 366 Q N -0.206 119.624 119.800 0.049 0.000 2.197 366 Q HA -0.143 4.199 4.340 0.003 0.000 0.207 366 Q C 1.860 177.893 176.000 0.054 0.000 0.984 366 Q CA 2.019 57.853 55.803 0.051 0.000 0.869 366 Q CB -0.340 28.419 28.738 0.035 0.000 0.906 366 Q HN 0.392 nan 8.270 nan 0.000 0.426 367 G N 0.058 108.885 108.800 0.046 0.000 2.404 367 G HA2 -0.247 3.714 3.960 0.003 0.000 0.215 367 G HA3 -0.247 3.714 3.960 0.003 0.000 0.215 367 G C 1.197 176.157 174.900 0.101 0.000 1.174 367 G CA 0.773 45.902 45.100 0.048 0.000 0.780 367 G HN 0.343 nan 8.290 nan 0.000 0.537 368 E N 0.431 120.695 120.200 0.106 0.000 2.208 368 E HA 0.036 4.388 4.350 0.003 0.000 0.193 368 E C 2.452 179.141 176.600 0.147 0.000 0.988 368 E CA 0.577 57.056 56.400 0.132 0.000 0.828 368 E CB -0.018 29.731 29.700 0.082 0.000 0.763 368 E HN 0.592 nan 8.360 nan 0.000 0.478 369 E N -0.087 120.190 120.200 0.129 0.000 2.047 369 E HA -0.140 4.211 4.350 0.003 0.000 0.191 369 E C 2.053 178.760 176.600 0.179 0.000 0.987 369 E CA 1.003 57.490 56.400 0.145 0.000 0.799 369 E CB -0.125 29.646 29.700 0.119 0.000 0.752 369 E HN 0.305 nan 8.360 nan 0.000 0.449 370 I N 0.627 121.287 120.570 0.150 0.000 2.361 370 I HA -0.290 3.882 4.170 0.003 0.000 0.251 370 I C 2.548 178.788 176.117 0.204 0.000 1.133 370 I CA 1.253 62.635 61.300 0.136 0.000 1.413 370 I CB -0.425 37.611 38.000 0.059 0.000 1.073 370 I HN 0.235 nan 8.210 nan 0.000 0.424 371 H N 1.196 120.326 119.070 0.100 0.000 2.319 371 H HA -0.189 4.369 4.556 0.003 0.000 0.299 371 H C 2.136 177.575 175.328 0.184 0.000 1.092 371 H CA 1.769 57.893 56.048 0.127 0.000 1.302 371 H CB 0.238 30.044 29.762 0.074 0.000 1.373 371 H HN 0.241 nan 8.280 nan 0.000 0.497 372 N N 0.490 119.391 118.700 0.335 0.000 2.120 372 N HA -0.166 4.575 4.740 0.003 0.000 0.188 372 N C 1.894 177.632 175.510 0.379 0.000 1.024 372 N CA 1.283 54.547 53.050 0.356 0.000 0.852 372 N CB -0.397 38.334 38.487 0.408 0.000 1.003 372 N HN 0.562 nan 8.380 nan 0.000 0.424 373 E N 0.419 120.821 120.200 0.336 0.000 2.058 373 E HA -0.143 4.208 4.350 0.003 0.000 0.194 373 E C 1.825 178.654 176.600 0.383 0.000 0.997 373 E CA 1.006 57.622 56.400 0.360 0.000 0.801 373 E CB -0.094 29.796 29.700 0.316 0.000 0.746 373 E HN 0.084 nan 8.360 nan 0.000 0.450 374 V N 0.829 120.903 119.914 0.266 0.000 2.515 374 V HA -0.210 3.911 4.120 0.003 0.000 0.250 374 V C 2.139 178.333 176.094 0.167 0.000 1.058 374 V CA 2.381 64.809 62.300 0.212 0.000 1.064 374 V CB -0.265 31.617 31.823 0.097 0.000 0.675 374 V HN 0.366 nan 8.190 nan 0.000 0.461 375 E N -0.639 119.598 120.200 0.062 0.000 2.015 375 E HA -0.185 4.167 4.350 0.003 0.000 0.191 375 E C 1.881 178.235 176.600 -0.409 0.000 0.991 375 E CA 1.996 58.197 56.400 -0.332 0.000 0.802 375 E CB -0.214 29.157 29.700 -0.547 0.000 0.759 375 E HN 0.699 nan 8.360 nan 0.000 0.447 376 F N -0.134 119.839 119.950 0.038 0.000 2.619 376 F HA 0.187 4.716 4.527 0.002 0.000 0.293 376 F C 2.102 177.869 175.800 -0.055 0.000 1.119 376 F CA 0.269 58.196 58.000 -0.122 0.000 1.445 376 F CB 0.150 39.187 39.000 0.062 0.000 1.119 376 F HN -0.001 nan 8.300 nan 0.000 0.573 377 E N -1.455 118.909 120.200 0.275 0.000 2.400 377 E HA 0.006 4.358 4.350 0.003 0.000 0.195 377 E C 0.986 177.502 176.600 -0.141 0.000 1.012 377 E CA 0.836 57.316 56.400 0.133 0.000 0.875 377 E CB -0.005 29.864 29.700 0.282 0.000 0.859 377 E HN 0.372 nan 8.360 nan 0.000 0.498 378 W N -1.377 119.982 121.300 0.097 0.000 4.332 378 W HA 0.299 4.960 4.660 0.002 0.000 0.205 378 W C 1.650 178.203 176.519 0.057 0.000 0.907 378 W CA -0.249 57.184 57.345 0.147 0.000 2.184 378 W CB -0.495 29.045 29.460 0.134 0.000 0.933 378 W HN -0.116 nan 8.180 nan 0.000 0.867 379 L N 0.890 122.213 121.223 0.166 0.000 1.976 379 L HA -0.167 4.175 4.340 0.003 0.000 0.209 379 L C 2.511 179.420 176.870 0.064 0.000 1.071 379 L CA 1.634 56.513 54.840 0.066 0.000 0.746 379 L CB -0.805 41.188 42.059 -0.110 0.000 0.890 379 L HN -0.056 nan 8.230 nan 0.000 0.432 380 R N -0.446 119.943 120.500 -0.185 0.000 2.152 380 R HA -0.191 4.151 4.340 0.003 0.000 0.232 380 R C 2.160 178.217 176.300 -0.405 0.000 1.117 380 R CA 1.056 56.936 56.100 -0.367 0.000 0.981 380 R CB -0.322 29.418 30.300 -0.934 0.000 0.870 380 R HN 0.341 nan 8.270 nan 0.000 0.451 381 Q N 0.521 120.138 119.800 -0.305 0.000 2.083 381 Q HA -0.105 4.237 4.340 0.003 0.000 0.198 381 Q C 1.643 177.788 176.000 0.240 0.000 0.969 381 Q CA 1.366 57.180 55.803 0.018 0.000 0.838 381 Q CB -0.237 28.534 28.738 0.054 0.000 0.900 381 Q HN 0.293 nan 8.270 nan 0.000 0.436 382 F N -1.402 118.522 119.950 -0.045 0.000 2.113 382 F HA -0.103 4.426 4.527 0.003 0.000 0.297 382 F C 1.173 176.768 175.800 -0.341 0.000 1.103 382 F CA 1.408 59.163 58.000 -0.408 0.000 1.248 382 F CB -0.220 38.188 39.000 -0.987 0.000 0.999 382 F HN 0.149 nan 8.300 nan 0.000 0.475 383 W N -1.238 120.154 121.300 0.152 0.000 2.678 383 W HA -0.076 4.586 4.660 0.003 0.000 0.256 383 W C 2.121 178.668 176.519 0.047 0.000 1.280 383 W CA 0.344 57.731 57.345 0.070 0.000 1.345 383 W CB -0.562 28.959 29.460 0.102 0.000 1.118 383 W HN 0.079 nan 8.180 nan 0.000 0.629 384 F N 1.254 121.308 119.950 0.174 0.000 2.216 384 F HA -0.199 4.330 4.527 0.003 0.000 0.300 384 F C 2.108 177.935 175.800 0.045 0.000 1.085 384 F CA 1.715 59.828 58.000 0.188 0.000 1.326 384 F CB -0.372 38.852 39.000 0.373 0.000 1.027 384 F HN -0.153 nan 8.300 nan 0.000 0.497 385 Q N 0.637 120.445 119.800 0.012 0.000 2.515 385 Q HA 0.151 4.492 4.340 0.003 0.000 0.212 385 Q C 1.389 177.154 176.000 -0.392 0.000 0.970 385 Q CA 0.299 55.952 55.803 -0.250 0.000 0.941 385 Q CB -0.490 28.062 28.738 -0.308 0.000 0.998 385 Q HN 0.588 nan 8.270 nan 0.000 0.518 386 G N 1.657 110.325 108.800 -0.220 0.000 2.566 386 G HA2 -0.382 3.580 3.960 0.003 0.000 0.308 386 G HA3 -0.382 3.580 3.960 0.003 0.000 0.308 386 G C -0.484 174.312 174.900 -0.173 0.000 1.317 386 G CA -0.118 44.921 45.100 -0.101 0.000 0.930 386 G HN 0.566 nan 8.290 nan 0.000 0.547 387 N N 1.141 119.796 118.700 -0.074 0.000 2.410 387 N HA 0.294 5.036 4.740 0.003 0.000 0.281 387 N C 1.249 176.600 175.510 -0.266 0.000 1.241 387 N CA 0.102 53.112 53.050 -0.066 0.000 0.998 387 N CB 0.524 39.024 38.487 0.023 0.000 1.376 387 N HN 0.498 nan 8.380 nan 0.000 0.490 388 R N 1.081 121.308 120.500 -0.454 0.000 3.069 388 R HA 0.065 4.407 4.340 0.003 0.000 0.141 388 R C 0.959 176.993 176.300 -0.443 0.000 1.845 388 R CA -0.011 55.605 56.100 -0.806 0.000 1.419 388 R CB -0.288 29.159 30.300 -1.422 0.000 1.346 388 R HN 0.425 nan 8.270 nan 0.000 0.467 389 Y N 1.459 121.638 120.300 -0.200 0.000 2.465 389 Y HA -0.076 4.476 4.550 0.003 0.000 0.289 389 Y C 2.041 178.004 175.900 0.104 0.000 1.150 389 Y CA 0.769 58.878 58.100 0.015 0.000 1.293 389 Y CB -0.699 37.787 38.460 0.043 0.000 0.977 389 Y HN 0.081 nan 8.280 nan 0.000 0.556 390 R N 1.518 122.169 120.500 0.252 0.000 2.189 390 R HA -0.122 4.220 4.340 0.003 0.000 0.223 390 R C 2.116 178.530 176.300 0.190 0.000 1.092 390 R CA 1.008 57.247 56.100 0.232 0.000 0.989 390 R CB -0.125 30.292 30.300 0.195 0.000 0.876 390 R HN 0.315 nan 8.270 nan 0.000 0.457 391 K N -0.032 120.473 120.400 0.176 0.000 2.486 391 K HA -0.070 4.251 4.320 0.003 0.000 0.194 391 K C 0.902 177.627 176.600 0.208 0.000 1.033 391 K CA 1.151 57.550 56.287 0.187 0.000 1.004 391 K CB 0.239 32.881 32.500 0.236 0.000 0.798 391 K HN 0.477 nan 8.250 nan 0.000 0.495 392 C N -3.169 116.270 119.300 0.232 0.000 3.919 392 C HA 0.355 4.816 4.460 0.003 0.000 0.422 392 C C 0.534 175.663 174.990 0.231 0.000 1.533 392 C CA -0.602 58.552 59.018 0.227 0.000 2.014 392 C CB 0.335 28.213 27.740 0.229 0.000 2.967 392 C HN 0.197 nan 8.230 nan 0.000 0.692 393 T N 1.412 116.127 114.554 0.267 0.000 2.886 393 T HA 0.393 4.744 4.350 0.003 0.000 0.330 393 T C -1.061 173.822 174.700 0.305 0.000 1.488 393 T CA 0.345 62.616 62.100 0.286 0.000 1.054 393 T CB 1.580 70.650 68.868 0.337 0.000 1.348 393 T HN 0.383 nan 8.240 nan 0.000 0.489 394 D N 0.733 121.291 120.400 0.265 0.000 2.407 394 D HA 0.001 4.643 4.640 0.003 0.000 0.208 394 D C 1.598 178.015 176.300 0.196 0.000 1.083 394 D CA -0.208 53.920 54.000 0.214 0.000 0.844 394 D CB -0.284 40.596 40.800 0.133 0.000 0.967 394 D HN 0.618 nan 8.370 nan 0.000 0.506 395 W N 1.168 122.501 121.300 0.055 0.000 2.274 395 W HA -0.245 4.416 4.660 0.002 0.000 0.314 395 W C 0.978 177.372 176.519 -0.209 0.000 1.254 395 W CA 1.936 59.221 57.345 -0.100 0.000 1.265 395 W CB -0.392 28.963 29.460 -0.174 0.000 1.141 395 W HN 0.028 nan 8.180 nan 0.000 0.505 396 W N -1.519 119.936 121.300 0.258 0.000 3.139 396 W HA 0.062 4.724 4.660 0.002 0.000 0.260 396 W C 2.288 178.661 176.519 -0.242 0.000 1.312 396 W CA 0.301 57.646 57.345 0.000 0.000 1.606 396 W CB -0.874 28.536 29.460 -0.084 0.000 1.118 396 W HN -0.219 nan 8.180 nan 0.000 0.675 397 C N 0.154 119.492 119.300 0.064 0.000 2.413 397 C HA -0.273 4.189 4.460 0.003 0.000 0.277 397 C C 2.845 177.808 174.990 -0.045 0.000 1.228 397 C CA 1.905 60.944 59.018 0.036 0.000 1.731 397 C CB -1.293 26.501 27.740 0.091 0.000 2.042 397 C HN 0.499 nan 8.230 nan 0.000 0.468 398 Q N 2.050 121.779 119.800 -0.119 0.000 2.083 398 Q HA -0.039 4.303 4.340 0.003 0.000 0.198 398 Q C -0.388 175.513 176.000 -0.166 0.000 0.969 398 Q CA 2.245 57.966 55.803 -0.136 0.000 0.838 398 Q CB -1.735 26.898 28.738 -0.175 0.000 0.900 398 Q HN 0.438 nan 8.270 nan 0.000 0.436 399 P HA -0.096 nan 4.420 nan 0.000 0.219 399 P C 1.176 178.413 177.300 -0.105 0.000 1.150 399 P CA 1.105 64.089 63.100 -0.192 0.000 0.814 399 P CB -0.025 31.508 31.700 -0.278 0.000 0.787 400 M N -0.100 119.408 119.600 -0.153 0.000 2.394 400 M HA 0.081 4.563 4.480 0.003 0.000 0.264 400 M C 2.002 178.267 176.300 -0.059 0.000 1.073 400 M CA 0.962 56.119 55.300 -0.238 0.000 1.111 400 M CB -1.227 30.928 32.600 -0.741 0.000 1.401 400 M HN -0.120 nan 8.290 nan 0.000 0.448 401 A N -1.000 121.805 122.820 -0.024 0.000 1.970 401 A HA -0.150 4.171 4.320 0.003 0.000 0.216 401 A C 2.022 179.608 177.584 0.004 0.000 1.170 401 A CA 1.430 53.484 52.037 0.029 0.000 0.645 401 A CB -0.638 18.375 19.000 0.022 0.000 0.816 401 A HN 0.626 nan 8.150 nan 0.000 0.447 402 Q N -0.240 119.540 119.800 -0.033 0.000 2.123 402 Q HA 0.018 4.359 4.340 0.003 0.000 0.199 402 Q C 1.727 177.713 176.000 -0.022 0.000 0.966 402 Q CA 1.088 56.868 55.803 -0.039 0.000 0.845 402 Q CB -0.258 28.438 28.738 -0.071 0.000 0.907 402 Q HN 0.602 nan 8.270 nan 0.000 0.439 403 L N 0.536 121.747 121.223 -0.021 0.000 2.201 403 L HA -0.112 4.229 4.340 0.003 0.000 0.212 403 L C 2.432 179.342 176.870 0.066 0.000 1.105 403 L CA 1.211 56.049 54.840 -0.004 0.000 0.775 403 L CB -0.271 41.778 42.059 -0.017 0.000 0.913 403 L HN 0.412 nan 8.230 nan 0.000 0.440 404 E N 0.221 120.466 120.200 0.075 0.000 2.072 404 E HA -0.181 4.171 4.350 0.003 0.000 0.190 404 E C 2.268 178.984 176.600 0.193 0.000 0.982 404 E CA 0.938 57.424 56.400 0.143 0.000 0.803 404 E CB 0.074 29.834 29.700 0.100 0.000 0.755 404 E HN 0.438 nan 8.360 nan 0.000 0.453 405 A N 1.248 124.120 122.820 0.086 0.000 1.883 405 A HA -0.183 4.139 4.320 0.003 0.000 0.217 405 A C 2.187 179.782 177.584 0.019 0.000 1.186 405 A CA 1.207 53.267 52.037 0.038 0.000 0.624 405 A CB -0.779 18.220 19.000 -0.002 0.000 0.822 405 A HN 0.282 nan 8.150 nan 0.000 0.444 406 L N -2.473 118.761 121.223 0.018 0.000 2.012 406 L HA -0.236 4.106 4.340 0.003 0.000 0.210 406 L C 2.576 179.436 176.870 -0.017 0.000 1.073 406 L CA 1.985 56.814 54.840 -0.018 0.000 0.748 406 L CB -0.636 41.408 42.059 -0.026 0.000 0.891 406 L HN 0.797 nan 8.230 nan 0.000 0.431 407 W N 1.449 122.659 121.300 -0.149 0.000 2.355 407 W HA -0.245 4.416 4.660 0.002 0.000 0.309 407 W C 2.698 179.071 176.519 -0.244 0.000 1.206 407 W CA 1.796 59.016 57.345 -0.208 0.000 1.284 407 W CB -0.108 29.280 29.460 -0.120 0.000 1.145 407 W HN -0.057 nan 8.180 nan 0.000 0.502 408 K N 0.712 121.036 120.400 -0.126 0.000 2.063 408 K HA -0.308 4.013 4.320 0.003 0.000 0.208 408 K C 2.145 178.485 176.600 -0.433 0.000 1.048 408 K CA 2.104 58.137 56.287 -0.424 0.000 0.928 408 K CB -0.369 32.058 32.500 -0.122 0.000 0.713 408 K HN 0.053 nan 8.250 nan 0.000 0.442 409 K N 0.663 120.897 120.400 -0.277 0.000 2.097 409 K HA -0.085 4.237 4.320 0.003 0.000 0.206 409 K C 1.915 178.333 176.600 -0.304 0.000 1.049 409 K CA 1.600 57.746 56.287 -0.234 0.000 0.933 409 K CB -0.046 32.360 32.500 -0.157 0.000 0.717 409 K HN 0.163 nan 8.250 nan 0.000 0.442 410 M N 0.385 119.730 119.600 -0.425 0.000 2.229 410 M HA -0.099 4.383 4.480 0.003 0.000 0.264 410 M C 1.756 177.704 176.300 -0.586 0.000 1.063 410 M CA 1.180 56.170 55.300 -0.516 0.000 1.114 410 M CB -0.146 32.031 32.600 -0.705 0.000 1.387 410 M HN 0.115 nan 8.290 nan 0.000 0.420 411 E N 0.367 120.112 120.200 -0.757 0.000 2.110 411 E HA -0.110 4.241 4.350 0.003 0.000 0.193 411 E C 2.149 178.587 176.600 -0.270 0.000 0.988 411 E CA 1.454 57.551 56.400 -0.504 0.000 0.804 411 E CB -0.421 28.820 29.700 -0.764 0.000 0.745 411 E HN 0.587 nan 8.360 nan 0.000 0.458 412 G N 1.059 109.692 108.800 -0.278 0.000 2.443 412 G HA2 -0.182 3.779 3.960 0.003 0.000 0.219 412 G HA3 -0.182 3.779 3.960 0.003 0.000 0.219 412 G C 1.768 176.612 174.900 -0.094 0.000 1.131 412 G CA 1.177 46.181 45.100 -0.159 0.000 0.775 412 G HN 0.315 nan 8.290 nan 0.000 0.547 413 V N -1.893 117.957 119.914 -0.107 0.000 2.591 413 V HA -0.023 4.099 4.120 0.003 0.000 0.249 413 V C 2.548 178.641 176.094 -0.002 0.000 1.053 413 V CA 2.247 64.519 62.300 -0.047 0.000 1.068 413 V CB -1.000 30.785 31.823 -0.062 0.000 0.689 413 V HN 0.178 nan 8.190 nan 0.000 0.462 414 T N 1.748 116.301 114.554 -0.001 0.000 2.674 414 T HA -0.200 4.152 4.350 0.003 0.000 0.265 414 T C 1.887 176.573 174.700 -0.024 0.000 1.039 414 T CA 2.452 64.570 62.100 0.029 0.000 1.150 414 T CB -0.631 68.279 68.868 0.069 0.000 0.864 414 T HN 0.649 nan 8.240 nan 0.000 0.427 415 N N 1.411 120.073 118.700 -0.063 0.000 2.149 415 N HA -0.096 4.646 4.740 0.003 0.000 0.188 415 N C 1.843 177.253 175.510 -0.167 0.000 1.019 415 N CA 1.576 54.531 53.050 -0.158 0.000 0.857 415 N CB -0.448 37.978 38.487 -0.100 0.000 0.997 415 N HN 0.376 nan 8.380 nan 0.000 0.426 416 A N 0.059 122.889 122.820 0.017 0.000 1.851 416 A HA -0.105 4.216 4.320 0.003 0.000 0.216 416 A C 2.441 180.121 177.584 0.160 0.000 1.195 416 A CA 1.930 54.053 52.037 0.144 0.000 0.622 416 A CB -1.118 17.967 19.000 0.142 0.000 0.831 416 A HN 0.170 nan 8.150 nan 0.000 0.444 417 V N -0.224 119.779 119.914 0.149 0.000 2.392 417 V HA -0.240 3.882 4.120 0.003 0.000 0.249 417 V C 2.492 178.616 176.094 0.051 0.000 1.059 417 V CA 1.837 64.243 62.300 0.176 0.000 1.051 417 V CB -0.805 31.105 31.823 0.146 0.000 0.658 417 V HN 0.469 nan 8.190 nan 0.000 0.455 418 L N -0.682 120.519 121.223 -0.037 0.000 2.131 418 L HA -0.117 4.225 4.340 0.003 0.000 0.210 418 L C 2.395 179.205 176.870 -0.101 0.000 1.092 418 L CA 1.792 56.570 54.840 -0.103 0.000 0.759 418 L CB -1.255 40.691 42.059 -0.188 0.000 0.903 418 L HN 0.407 nan 8.230 nan 0.000 0.435 419 H N -1.285 117.789 119.070 0.007 0.000 2.470 419 H HA -0.003 4.555 4.556 0.003 0.000 0.289 419 H C 2.105 177.396 175.328 -0.061 0.000 1.033 419 H CA 0.736 56.775 56.048 -0.015 0.000 1.331 419 H CB 0.367 30.128 29.762 -0.002 0.000 1.414 419 H HN 0.308 nan 8.280 nan 0.000 0.545 420 E N 0.864 121.068 120.200 0.006 0.000 2.028 420 E HA -0.095 4.257 4.350 0.003 0.000 0.190 420 E C 2.505 179.013 176.600 -0.152 0.000 0.984 420 E CA 1.118 57.403 56.400 -0.192 0.000 0.800 420 E CB -0.131 29.252 29.700 -0.528 0.000 0.758 420 E HN 0.340 nan 8.360 nan 0.000 0.448 421 V N -0.123 119.735 119.914 -0.093 0.000 2.317 421 V HA -0.191 3.931 4.120 0.003 0.000 0.251 421 V C 1.082 177.151 176.094 -0.042 0.000 1.065 421 V CA 1.726 63.990 62.300 -0.059 0.000 1.049 421 V CB -0.571 31.238 31.823 -0.023 0.000 0.651 421 V HN 0.015 nan 8.190 nan 0.000 0.450 422 K N 2.071 122.459 120.400 -0.021 0.000 2.459 422 K HA 0.443 4.764 4.320 0.003 0.000 0.218 422 K C -0.286 176.313 176.600 -0.002 0.000 1.067 422 K CA -0.378 55.905 56.287 -0.007 0.000 1.045 422 K CB 0.600 33.105 32.500 0.008 0.000 1.623 422 K HN 0.478 nan 8.250 nan 0.000 0.509 423 R N 2.440 122.924 120.500 -0.027 0.000 2.584 423 R HA 0.193 4.534 4.340 0.003 0.000 0.276 423 R C -0.757 175.521 176.300 -0.037 0.000 1.046 423 R CA -0.185 55.896 56.100 -0.031 0.000 0.906 423 R CB 0.967 31.239 30.300 -0.046 0.000 1.215 423 R HN 0.548 nan 8.270 nan 0.000 0.449 429 E N -1.624 118.569 120.200 -0.011 0.000 2.652 429 E HA 0.133 4.484 4.350 0.003 0.000 0.197 429 E C 1.312 177.910 176.600 -0.004 0.000 0.936 429 E CA 0.139 56.534 56.400 -0.008 0.000 1.638 429 E CB 0.930 30.626 29.700 -0.006 0.000 1.884 429 E HN 0.630 nan 8.360 nan 0.000 1.005 430 Q N 0.633 120.433 119.800 -0.001 0.000 2.311 430 Q HA 0.060 4.401 4.340 0.003 0.000 0.203 430 Q C 1.046 177.049 176.000 0.005 0.000 0.954 430 Q CA 0.476 56.281 55.803 0.004 0.000 0.885 430 Q CB 0.123 28.865 28.738 0.006 0.000 0.963 430 Q HN 0.030 nan 8.270 nan 0.000 0.471 431 R N 1.267 121.767 120.500 0.000 0.000 2.416 431 R HA -0.030 4.311 4.340 0.003 0.000 0.207 431 R C 0.048 176.349 176.300 0.001 0.000 1.220 431 R CA 0.100 56.201 56.100 0.002 0.000 1.194 431 R CB -0.194 30.100 30.300 -0.010 0.000 0.892 431 R HN 0.142 nan 8.270 nan 0.000 0.481 432 N N 0.843 119.546 118.700 0.004 0.000 2.451 432 N HA 0.006 4.748 4.740 0.003 0.000 0.264 432 N C 0.021 175.541 175.510 0.016 0.000 1.167 432 N CA 0.177 53.231 53.050 0.006 0.000 0.898 432 N CB 0.819 39.308 38.487 0.002 0.000 1.176 432 N HN 0.359 nan 8.380 nan 0.000 0.507 433 E N -0.034 120.180 120.200 0.023 0.000 2.427 433 E HA 0.083 4.434 4.350 0.003 0.000 0.196 433 E C 0.952 177.575 176.600 0.037 0.000 1.028 433 E CA 0.444 56.861 56.400 0.029 0.000 0.864 433 E CB 0.196 29.915 29.700 0.033 0.000 0.813 433 E HN 0.427 nan 8.360 nan 0.000 0.514 434 I N 0.726 121.320 120.570 0.040 0.000 3.680 434 I HA -0.049 4.123 4.170 0.003 0.000 0.306 434 I C 1.333 177.474 176.117 0.039 0.000 1.260 434 I CA 0.160 61.492 61.300 0.053 0.000 1.201 434 I CB 0.207 38.242 38.000 0.058 0.000 1.009 434 I HN 0.112 nan 8.210 nan 0.000 0.467 435 L N 0.153 121.393 121.223 0.029 0.000 2.600 435 L HA 0.093 4.434 4.340 0.003 0.000 0.213 435 L C 2.079 178.964 176.870 0.024 0.000 1.045 435 L CA 1.063 55.917 54.840 0.022 0.000 0.863 435 L CB 0.225 42.293 42.059 0.014 0.000 1.189 435 L HN 0.237 nan 8.230 nan 0.000 0.484 436 T N -2.832 111.737 114.554 0.024 0.000 3.312 436 T HA 0.454 4.805 4.350 0.003 0.000 0.251 436 T C 0.766 175.483 174.700 0.029 0.000 1.012 436 T CA 0.377 62.491 62.100 0.024 0.000 0.925 436 T CB 0.194 69.074 68.868 0.021 0.000 1.049 436 T HN 0.213 nan 8.240 nan 0.000 0.583 437 A N 1.024 123.864 122.820 0.035 0.000 2.548 437 A HA 0.570 4.892 4.320 0.003 0.000 0.236 437 A C 1.473 179.083 177.584 0.044 0.000 1.246 437 A CA 0.019 52.080 52.037 0.040 0.000 0.993 437 A CB 0.131 19.158 19.000 0.045 0.000 1.209 437 A HN 0.748 nan 8.150 nan 0.000 0.570 438 I N -4.624 115.970 120.570 0.041 0.000 4.670 438 I HA 0.331 4.503 4.170 0.003 0.000 0.339 438 I C 1.285 177.423 176.117 0.034 0.000 1.310 438 I CA -0.042 61.283 61.300 0.042 0.000 1.288 438 I CB 0.312 38.339 38.000 0.046 0.000 1.427 438 I HN -0.022 nan 8.210 nan 0.000 0.494 439 L N 2.574 123.814 121.223 0.029 0.000 2.083 439 L HA 0.105 4.446 4.340 0.003 0.000 0.209 439 L C 2.664 179.548 176.870 0.023 0.000 1.083 439 L CA 2.447 57.300 54.840 0.022 0.000 0.752 439 L CB -0.654 41.416 42.059 0.018 0.000 0.899 439 L HN 0.388 nan 8.230 nan 0.000 0.433 440 A N -1.746 121.090 122.820 0.027 0.000 1.898 440 A HA -0.158 4.163 4.320 0.003 0.000 0.216 440 A C 2.354 179.959 177.584 0.034 0.000 1.181 440 A CA 1.876 53.929 52.037 0.027 0.000 0.620 440 A CB -0.785 18.233 19.000 0.031 0.000 0.819 440 A HN 0.496 nan 8.150 nan 0.000 0.442 441 S N -0.134 115.593 115.700 0.044 0.000 2.428 441 S HA 0.015 4.486 4.470 0.003 0.000 0.230 441 S C 1.714 176.343 174.600 0.050 0.000 1.014 441 S CA 1.143 59.378 58.200 0.058 0.000 0.957 441 S CB -0.315 62.924 63.200 0.065 0.000 0.784 441 S HN 0.499 nan 8.310 nan 0.000 0.499 442 L N 1.420 122.662 121.223 0.031 0.000 2.131 442 L HA -0.047 4.295 4.340 0.003 0.000 0.206 442 L C 2.937 179.821 176.870 0.024 0.000 1.087 442 L CA 1.456 56.309 54.840 0.021 0.000 0.767 442 L CB -1.177 40.890 42.059 0.013 0.000 0.917 442 L HN 0.445 nan 8.230 nan 0.000 0.441 443 T N -2.469 112.096 114.554 0.017 0.000 2.904 443 T HA -0.060 4.292 4.350 0.003 0.000 0.267 443 T C 1.958 176.657 174.700 -0.001 0.000 1.059 443 T CA 0.869 62.972 62.100 0.006 0.000 1.137 443 T CB -0.232 68.637 68.868 0.002 0.000 0.879 443 T HN 0.261 nan 8.240 nan 0.000 0.467 444 A N 1.834 124.659 122.820 0.008 0.000 1.898 444 A HA 0.028 4.350 4.320 0.003 0.000 0.216 444 A C 2.533 180.098 177.584 -0.032 0.000 1.181 444 A CA 1.388 53.413 52.037 -0.019 0.000 0.620 444 A CB -0.780 18.226 19.000 0.009 0.000 0.819 444 A HN 0.474 nan 8.150 nan 0.000 0.442 445 R N -0.621 119.935 120.500 0.095 0.000 2.152 445 R HA -0.171 4.171 4.340 0.003 0.000 0.232 445 R C 2.418 178.816 176.300 0.163 0.000 1.117 445 R CA 1.590 57.864 56.100 0.289 0.000 0.981 445 R CB -0.205 30.233 30.300 0.229 0.000 0.870 445 R HN 0.768 nan 8.270 nan 0.000 0.451 446 Q N 0.206 120.028 119.800 0.038 0.000 2.020 446 Q HA -0.138 4.204 4.340 0.003 0.000 0.198 446 Q C 1.347 177.326 176.000 -0.035 0.000 0.974 446 Q CA 1.364 57.158 55.803 -0.015 0.000 0.829 446 Q CB 0.002 28.729 28.738 -0.019 0.000 0.894 446 Q HN 0.379 nan 8.270 nan 0.000 0.433 447 N N 0.963 119.633 118.700 -0.050 0.000 2.039 447 N HA -0.144 4.597 4.740 0.003 0.000 0.193 447 N C 1.912 177.373 175.510 -0.081 0.000 1.044 447 N CA 0.960 53.972 53.050 -0.063 0.000 0.847 447 N CB -0.546 37.898 38.487 -0.072 0.000 1.030 447 N HN 0.235 nan 8.380 nan 0.000 0.422 448 L N 1.411 122.518 121.223 -0.193 0.000 2.187 448 L HA -0.094 4.248 4.340 0.003 0.000 0.213 448 L C 2.247 179.172 176.870 0.092 0.000 1.100 448 L CA 1.259 55.937 54.840 -0.270 0.000 0.765 448 L CB -0.924 40.508 42.059 -1.044 0.000 0.904 448 L HN 0.232 nan 8.230 nan 0.000 0.437 449 R N -0.608 119.980 120.500 0.147 0.000 2.090 449 R HA -0.077 4.264 4.340 0.003 0.000 0.228 449 R C 2.418 178.898 176.300 0.299 0.000 1.110 449 R CA 0.717 57.005 56.100 0.313 0.000 0.973 449 R CB -0.033 30.238 30.300 -0.048 0.000 0.869 449 R HN 0.373 nan 8.270 nan 0.000 0.440 450 R N 0.417 121.002 120.500 0.141 0.000 2.062 450 R HA -0.138 4.204 4.340 0.003 0.000 0.231 450 R C 2.225 178.624 176.300 0.164 0.000 1.136 450 R CA 1.476 57.659 56.100 0.139 0.000 0.948 450 R CB -0.261 30.061 30.300 0.037 0.000 0.845 450 R HN 0.258 nan 8.270 nan 0.000 0.430 451 E N 0.147 120.391 120.200 0.073 0.000 2.065 451 E HA -0.251 4.100 4.350 0.003 0.000 0.201 451 E C 1.649 178.237 176.600 -0.020 0.000 1.016 451 E CA 1.857 58.232 56.400 -0.043 0.000 0.818 451 E CB -0.149 29.447 29.700 -0.175 0.000 0.749 451 E HN 0.346 nan 8.360 nan 0.000 0.453 452 W N -0.139 121.225 121.300 0.106 0.000 2.381 452 W HA -0.142 4.520 4.660 0.002 0.000 0.301 452 W C 2.652 179.304 176.519 0.220 0.000 1.205 452 W CA 1.220 58.657 57.345 0.153 0.000 1.285 452 W CB -0.563 29.041 29.460 0.240 0.000 1.133 452 W HN 0.349 nan 8.180 nan 0.000 0.521 453 H N 0.373 119.687 119.070 0.407 0.000 2.421 453 H HA -0.122 4.435 4.556 0.003 0.000 0.298 453 H C 1.948 177.366 175.328 0.149 0.000 1.087 453 H CA 1.972 58.181 56.048 0.267 0.000 1.330 453 H CB -0.316 29.634 29.762 0.314 0.000 1.388 453 H HN 0.129 nan 8.280 nan 0.000 0.526 454 A N 1.330 124.344 122.820 0.323 0.000 1.840 454 A HA -0.111 4.211 4.320 0.003 0.000 0.214 454 A C 2.570 180.234 177.584 0.134 0.000 1.198 454 A CA 1.183 53.336 52.037 0.193 0.000 0.608 454 A CB -0.504 18.552 19.000 0.093 0.000 0.839 454 A HN 0.405 nan 8.150 nan 0.000 0.443 455 R N -0.947 119.612 120.500 0.098 0.000 2.261 455 R HA -0.164 4.178 4.340 0.003 0.000 0.236 455 R C 2.003 178.485 176.300 0.303 0.000 1.141 455 R CA 1.223 57.400 56.100 0.129 0.000 1.001 455 R CB -0.718 29.552 30.300 -0.050 0.000 0.866 455 R HN 0.644 nan 8.270 nan 0.000 0.468 456 C N 0.038 119.487 119.300 0.247 0.000 2.576 456 C HA -0.042 4.420 4.460 0.003 0.000 0.281 456 C C 1.364 176.360 174.990 0.009 0.000 1.292 456 C CA 0.135 59.233 59.018 0.134 0.000 1.697 456 C CB -0.398 27.367 27.740 0.041 0.000 2.109 456 C HN 0.489 nan 8.230 nan 0.000 0.497 457 Q N 1.722 121.519 119.800 -0.004 0.000 2.823 457 Q HA 0.319 4.660 4.340 0.003 0.000 0.370 457 Q C 0.015 176.037 176.000 0.037 0.000 1.110 457 Q CA 0.087 55.889 55.803 -0.003 0.000 0.990 457 Q CB -0.304 28.435 28.738 0.002 0.000 1.383 457 Q HN 0.602 nan 8.270 nan 0.000 0.430 458 S N -0.600 115.122 115.700 0.037 0.000 2.651 458 S HA 0.471 4.943 4.470 0.003 0.000 0.291 458 S C 0.794 175.403 174.600 0.016 0.000 1.141 458 S CA -0.955 57.266 58.200 0.034 0.000 1.027 458 S CB 1.583 64.810 63.200 0.044 0.000 1.043 458 S HN 0.469 nan 8.310 nan 0.000 0.530 459 R N 0.353 120.860 120.500 0.012 0.000 2.094 459 R HA -0.071 4.270 4.340 0.003 0.000 0.239 459 R C 1.953 178.254 176.300 0.001 0.000 1.137 459 R CA 1.450 57.553 56.100 0.004 0.000 0.943 459 R CB -0.694 29.607 30.300 0.002 0.000 0.850 459 R HN 0.600 nan 8.270 nan 0.000 0.433 460 I N 1.391 121.964 120.570 0.005 0.000 2.361 460 I HA -0.147 4.025 4.170 0.003 0.000 0.251 460 I C 1.900 178.016 176.117 -0.001 0.000 1.133 460 I CA 1.276 62.578 61.300 0.004 0.000 1.413 460 I CB -0.869 37.136 38.000 0.009 0.000 1.073 460 I HN 0.176 nan 8.210 nan 0.000 0.424 461 A N -0.010 122.810 122.820 0.001 0.000 2.248 461 A HA -0.143 4.179 4.320 0.003 0.000 0.210 461 A C 2.091 179.650 177.584 -0.041 0.000 1.174 461 A CA 0.819 52.840 52.037 -0.026 0.000 0.750 461 A CB -0.464 18.524 19.000 -0.021 0.000 0.780 461 A HN 0.322 nan 8.150 nan 0.000 0.478 462 R N -0.549 119.936 120.500 -0.025 0.000 2.140 462 R HA 0.102 4.444 4.340 0.003 0.000 0.213 462 R C 1.010 177.297 176.300 -0.022 0.000 1.059 462 R CA 0.840 56.925 56.100 -0.025 0.000 1.000 462 R CB -0.747 29.544 30.300 -0.016 0.000 0.910 462 R HN 0.401 nan 8.270 nan 0.000 0.455 466 A N -0.429 122.387 122.820 -0.007 0.000 1.878 466 A HA 0.002 4.324 4.320 0.003 0.000 0.213 466 A C 1.106 178.679 177.584 -0.018 0.000 1.192 466 A CA 1.596 53.624 52.037 -0.014 0.000 0.619 466 A CB -0.492 18.506 19.000 -0.004 0.000 0.837 466 A HN 0.637 nan 8.150 nan 0.000 0.446 467 D N -0.447 119.952 120.400 -0.001 0.000 2.349 467 D HA 0.001 4.642 4.640 0.003 0.000 0.224 467 D C 1.347 177.614 176.300 -0.056 0.000 1.029 467 D CA 0.559 54.556 54.000 -0.005 0.000 0.879 467 D CB 0.200 41.022 40.800 0.037 0.000 0.906 467 D HN 0.621 nan 8.370 nan 0.000 0.528 468 Q N 0.275 120.035 119.800 -0.067 0.000 2.353 468 Q HA 0.033 4.374 4.340 0.003 0.000 0.240 468 Q C 0.379 176.266 176.000 -0.189 0.000 0.868 468 Q CA -0.156 55.562 55.803 -0.142 0.000 0.944 468 Q CB 0.638 29.347 28.738 -0.048 0.000 1.104 468 Q HN 0.211 nan 8.270 nan 0.000 0.531 469 K N 3.194 123.508 120.400 -0.143 0.000 2.511 469 K HA 0.074 4.395 4.320 0.003 0.000 0.280 469 K C -2.366 174.088 176.600 -0.244 0.000 1.008 469 K CA -0.914 55.267 56.287 -0.177 0.000 1.050 469 K CB -0.165 32.266 32.500 -0.115 0.000 0.889 469 K HN -0.143 nan 8.250 nan 0.000 0.484 470 P HA -0.053 nan 4.420 nan 0.000 0.268 470 P C -0.950 176.232 177.300 -0.196 0.000 1.205 470 P CA 0.165 62.961 63.100 -0.506 0.000 0.771 470 P CB 0.803 31.805 31.700 -1.164 0.000 0.858 471 E N 1.581 121.752 120.200 -0.048 0.000 2.183 471 E HA 0.214 4.566 4.350 0.003 0.000 0.271 471 E C -0.580 176.068 176.600 0.080 0.000 0.919 471 E CA -0.751 55.654 56.400 0.009 0.000 0.781 471 E CB 1.202 30.945 29.700 0.072 0.000 1.140 471 E HN 0.399 nan 8.360 nan 0.000 0.402 472 C N 6.482 125.758 119.300 -0.039 0.000 2.439 472 C HA 0.306 4.768 4.460 0.003 0.000 0.411 472 C C 0.575 175.570 174.990 0.007 0.000 1.337 472 C CA -0.332 58.673 59.018 -0.021 0.000 1.716 472 C CB -2.057 25.493 27.740 -0.316 0.000 2.332 472 C HN 0.579 nan 8.230 nan 0.000 0.594 473 R N 1.916 122.424 120.500 0.015 0.000 2.459 473 R HA 0.449 4.791 4.340 0.003 0.000 0.281 473 R C -2.783 173.509 176.300 -0.013 0.000 1.050 473 R CA -0.983 55.074 56.100 -0.072 0.000 1.055 473 R CB 0.624 30.650 30.300 -0.457 0.000 1.045 473 R HN 0.202 nan 8.270 nan 0.000 0.495 474 P HA 0.102 nan 4.420 nan 0.000 0.282 474 P C -1.827 175.700 177.300 0.378 0.000 1.262 474 P CA -0.024 63.090 63.100 0.023 0.000 0.773 474 P CB 0.433 31.943 31.700 -0.317 0.000 0.879 475 Y N 4.423 124.826 120.300 0.173 0.000 2.477 475 Y HA 0.688 5.240 4.550 0.003 0.000 0.347 475 Y C -1.507 174.549 175.900 0.261 0.000 0.981 475 Y CA -0.587 57.508 58.100 -0.008 0.000 1.033 475 Y CB 1.556 39.853 38.460 -0.271 0.000 1.245 475 Y HN 0.597 nan 8.280 nan 0.000 0.455 476 W N 4.435 125.217 121.300 -0.863 0.000 3.479 476 W HA 0.576 5.237 4.660 0.003 0.000 0.304 476 W C -1.692 174.460 176.519 -0.611 0.000 1.243 476 W CA -0.818 56.222 57.345 -0.508 0.000 1.202 476 W CB 0.692 30.049 29.460 -0.171 0.000 1.346 476 W HN 0.343 nan 8.180 nan 0.000 0.539 477 E N 2.622 122.646 120.200 -0.293 0.000 2.366 477 E HA 0.067 4.418 4.350 0.003 0.000 0.266 477 E C 0.870 177.423 176.600 -0.079 0.000 1.051 477 E CA -0.181 56.081 56.400 -0.230 0.000 0.884 477 E CB 1.266 30.929 29.700 -0.061 0.000 1.006 477 E HN 0.629 nan 8.360 nan 0.000 0.417 478 K N 1.043 121.393 120.400 -0.083 0.000 2.228 478 K HA -0.213 4.108 4.320 0.003 0.000 0.205 478 K C 1.007 177.650 176.600 0.072 0.000 1.045 478 K CA 1.290 57.587 56.287 0.015 0.000 0.931 478 K CB 0.116 32.623 32.500 0.012 0.000 0.727 478 K HN 0.300 nan 8.250 nan 0.000 0.458 479 D N 1.282 121.715 120.400 0.055 0.000 2.336 479 D HA -0.058 4.583 4.640 0.003 0.000 0.229 479 D C -0.515 175.833 176.300 0.079 0.000 1.061 479 D CA 0.107 54.143 54.000 0.060 0.000 0.875 479 D CB -0.193 40.632 40.800 0.041 0.000 0.904 479 D HN 0.074 nan 8.370 nan 0.000 0.525 480 D N -0.978 119.499 120.400 0.129 0.000 2.351 480 D HA 0.313 4.954 4.640 0.003 0.000 0.251 480 D C 0.896 177.257 176.300 0.103 0.000 1.137 480 D CA -0.094 53.988 54.000 0.136 0.000 0.879 480 D CB 1.446 42.389 40.800 0.237 0.000 1.181 480 D HN 0.002 nan 8.370 nan 0.000 0.448 481 A N 2.631 125.481 122.820 0.050 0.000 1.943 481 A HA -0.044 4.278 4.320 0.003 0.000 0.213 481 A C 2.066 179.643 177.584 -0.011 0.000 1.181 481 A CA 1.101 53.153 52.037 0.024 0.000 0.653 481 A CB -0.598 18.412 19.000 0.016 0.000 0.833 481 A HN 0.613 nan 8.150 nan 0.000 0.451 482 S N -0.429 115.249 115.700 -0.037 0.000 2.419 482 S HA -0.013 4.459 4.470 0.003 0.000 0.235 482 S C 0.919 175.426 174.600 -0.154 0.000 1.019 482 S CA 0.733 58.882 58.200 -0.085 0.000 0.982 482 S CB -0.451 62.696 63.200 -0.089 0.000 0.789 482 S HN 0.336 nan 8.310 nan 0.000 0.490 483 M N 2.021 121.496 119.600 -0.208 0.000 2.180 483 M HA 0.343 4.825 4.480 0.003 0.000 0.358 483 M C -1.901 174.321 176.300 -0.130 0.000 1.233 483 M CA -2.455 52.646 55.300 -0.331 0.000 1.114 483 M CB 0.394 32.548 32.600 -0.743 0.000 1.594 483 M HN -0.066 nan 8.290 nan 0.000 0.467 484 P HA 0.035 nan 4.420 nan 0.000 0.215 484 P C -0.037 177.279 177.300 0.026 0.000 1.157 484 P CA 1.191 64.266 63.100 -0.042 0.000 0.863 484 P CB 0.326 31.979 31.700 -0.079 0.000 0.787 485 L N -1.740 119.518 121.223 0.059 0.000 2.271 485 L HA 0.510 4.851 4.340 0.003 0.000 0.265 485 L C -2.306 174.792 176.870 0.381 0.000 1.013 485 L CA -2.537 52.398 54.840 0.158 0.000 0.820 485 L CB 1.716 43.848 42.059 0.122 0.000 1.352 485 L HN -0.221 nan 8.230 nan 0.000 0.443 486 P HA 0.091 nan 4.420 nan 0.000 0.284 486 P C -0.131 177.380 177.300 0.353 0.000 1.292 486 P CA -0.438 62.888 63.100 0.377 0.000 0.800 486 P CB 0.752 32.550 31.700 0.164 0.000 1.188 487 F N 0.244 120.014 119.950 -0.301 0.000 2.707 487 F HA 0.005 4.534 4.527 0.003 0.000 0.299 487 F C 1.206 176.959 175.800 -0.078 0.000 1.259 487 F CA 0.785 58.501 58.000 -0.473 0.000 1.437 487 F CB -1.340 37.177 39.000 -0.806 0.000 1.071 487 F HN 0.295 nan 8.300 nan 0.000 0.518 488 D N -0.220 120.181 120.400 0.001 0.000 4.344 488 D HA -0.360 4.281 4.640 0.003 0.000 0.144 488 D C 1.073 177.361 176.300 -0.020 0.000 0.730 488 D CA 2.383 56.373 54.000 -0.017 0.000 1.156 488 D CB -0.982 39.780 40.800 -0.063 0.000 0.570 488 D HN 0.444 nan 8.370 nan 0.000 0.533 489 L N -1.242 119.947 121.223 -0.056 0.000 4.696 489 L HA -0.232 4.110 4.340 0.003 0.000 0.398 489 L C 0.475 177.337 176.870 -0.013 0.000 0.971 489 L CA 3.171 57.995 54.840 -0.025 0.000 1.427 489 L CB -1.640 40.424 42.059 0.008 0.000 1.965 489 L HN 0.963 nan 8.230 nan 0.000 0.593 490 T N -3.182 111.364 114.554 -0.014 0.000 10.133 490 T HA -0.127 4.225 4.350 0.003 0.000 0.301 490 T C 0.537 175.240 174.700 0.005 0.000 1.464 490 T CA 0.592 62.689 62.100 -0.005 0.000 1.793 490 T CB -1.073 67.793 68.868 -0.005 0.000 2.673 490 T HN 0.534 nan 8.240 nan 0.000 0.195 491 D N -0.286 120.118 120.400 0.006 0.000 3.475 491 D HA -0.188 4.454 4.640 0.003 0.000 0.191 491 D C 1.323 177.629 176.300 0.011 0.000 1.523 491 D CA 2.183 56.190 54.000 0.011 0.000 2.228 491 D CB -1.373 39.437 40.800 0.016 0.000 1.310 491 D HN 0.657 nan 8.370 nan 0.000 0.413 492 I N 0.410 120.987 120.570 0.011 0.000 2.400 492 I HA -0.124 4.048 4.170 0.003 0.000 0.248 492 I C 2.402 178.522 176.117 0.005 0.000 1.109 492 I CA 0.677 61.983 61.300 0.009 0.000 1.425 492 I CB -0.068 37.939 38.000 0.011 0.000 1.094 492 I HN 0.013 nan 8.210 nan 0.000 0.425 493 V N 0.025 119.942 119.914 0.005 0.000 2.307 493 V HA -0.221 3.901 4.120 0.003 0.000 0.245 493 V C 2.527 178.623 176.094 0.003 0.000 1.045 493 V CA 1.872 64.174 62.300 0.004 0.000 1.024 493 V CB -0.620 31.203 31.823 0.001 0.000 0.651 493 V HN 0.325 nan 8.190 nan 0.000 0.449 494 S N -0.453 115.249 115.700 0.003 0.000 2.351 494 S HA -0.293 4.179 4.470 0.003 0.000 0.220 494 S C 2.037 176.639 174.600 0.004 0.000 1.035 494 S CA 1.916 60.118 58.200 0.003 0.000 1.031 494 S CB -0.411 62.791 63.200 0.003 0.000 0.928 494 S HN 0.691 nan 8.310 nan 0.000 0.433 495 E N 0.588 120.791 120.200 0.005 0.000 2.219 495 E HA -0.154 4.198 4.350 0.003 0.000 0.198 495 E C 1.610 178.212 176.600 0.004 0.000 0.998 495 E CA 0.750 57.153 56.400 0.005 0.000 0.818 495 E CB -0.148 29.556 29.700 0.007 0.000 0.741 495 E HN 0.457 nan 8.360 nan 0.000 0.477 496 L N 0.531 121.756 121.223 0.004 0.000 2.478 496 L HA -0.074 4.267 4.340 0.003 0.000 0.223 496 L C 2.406 179.279 176.870 0.005 0.000 1.140 496 L CA 0.581 55.423 54.840 0.005 0.000 0.842 496 L CB -0.370 41.692 42.059 0.005 0.000 0.953 496 L HN 0.102 nan 8.230 nan 0.000 0.452 497 R N 1.691 122.193 120.500 0.005 0.000 2.096 497 R HA -0.068 4.274 4.340 0.003 0.000 0.235 497 R C 1.306 177.608 176.300 0.004 0.000 1.127 497 R CA 0.884 56.987 56.100 0.005 0.000 0.968 497 R CB -1.820 28.482 30.300 0.004 0.000 0.861 497 R HN 0.107 nan 8.270 nan 0.000 0.440 498 G N 0.943 109.746 108.800 0.004 0.000 2.147 498 G HA2 0.252 4.214 3.960 0.003 0.000 0.269 498 G HA3 0.252 4.214 3.960 0.003 0.000 0.269 498 G C 0.083 174.985 174.900 0.004 0.000 0.912 498 G CA 0.741 45.843 45.100 0.004 0.000 1.057 498 G HN 0.977 nan 8.290 nan 0.000 0.364 499 Q N 0.000 119.802 119.800 0.003 0.000 2.315 499 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 499 Q CA 0.000 55.805 55.803 0.004 0.000 1.022 499 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 499 Q HN 0.000 nan 8.270 nan 0.000 0.481