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 1ppj_1_O DATA FIRST_RESID 12 DATA SEQUENCE EXXXXVPPHP QDLEFTRLPN GLVIASLENY APASRIGLFI KAGSRYENSN DATA SEQUENCE NLGTSHLLRL ASSLTTKGAS SFKITRGIEA VGGKLSVTST RENMAYTVEC DATA SEQUENCE LRDDVDILME FLLNVTTAPE FRRWEVAALQ PQLRIDKAVA LQNPQAHVIE DATA SEQUENCE NLHAAAYRNA LANSLYCPDY RIGKVTPVEL HDYVQNHFTS ARMALIGLGV DATA SEQUENCE SHPVLKQVAE QFLNIRGGLG LSGAKAKYHG GEIREQNGDS LVHAALVAES DATA SEQUENCE AAIGSAEANA FSVLQHVLGA GPHVKRGSNA TSSLYQAVAK GVHQPFDVSA DATA SEQUENCE FNASYSDSGL FGFYTISQAA SAGDVIKAAY NQVKTIAQGN LSNPDVQAAK DATA SEQUENCE NKLKAGYLMS VESSEGFLDE VGSQALAAGS YTPPSTVLQQ IDAVADADVI DATA SEQUENCE NAAKKFVSGR KSMAASGNLG HTPFIDEL 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.598 176.600 -0.003 0.000 1.382 12 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 12 E CB 0.000 29.698 29.700 -0.004 0.000 0.812 18 P HA 0.516 nan 4.420 nan 0.000 0.274 18 P C -2.286 175.027 177.300 0.020 0.000 1.237 18 P CA -0.819 62.291 63.100 0.015 0.000 0.793 18 P CB -0.070 31.643 31.700 0.022 0.000 0.977 19 P HA 0.210 nan 4.420 nan 0.000 0.000 19 P C -0.341 177.027 177.300 0.114 0.000 0.000 19 P CA 0.633 63.781 63.100 0.080 0.000 0.000 19 P CB -0.031 31.760 31.700 0.152 0.000 0.000 20 H N -1.793 nan 119.070 nan 0.000 0.000 20 H HA 0.275 4.831 4.556 -0.000 0.000 0.000 20 H C -2.648 172.731 175.328 0.084 0.000 0.000 20 H CA -1.598 54.555 56.048 0.174 0.000 0.000 20 H CB -0.170 29.682 29.762 0.150 0.000 0.000 20 H HN 0.201 nan 8.280 nan 0.000 0.000 21 P HA 0.031 nan 4.420 nan 0.000 0.264 21 P C -0.752 176.629 177.300 0.134 0.000 1.229 21 P CA 0.160 63.341 63.100 0.135 0.000 0.780 21 P CB 0.928 32.668 31.700 0.067 0.000 0.808 22 Q N 2.052 121.925 119.800 0.123 0.000 2.584 22 Q HA 0.126 4.466 4.340 0.000 0.000 0.218 22 Q C -0.298 175.716 176.000 0.023 0.000 1.079 22 Q CA 0.065 55.909 55.803 0.068 0.000 1.008 22 Q CB 0.508 29.234 28.738 -0.021 0.000 1.267 22 Q HN 0.485 nan 8.270 nan 0.000 0.586 23 D N -0.042 120.367 120.400 0.015 0.000 2.326 23 D HA 0.283 4.923 4.640 0.000 0.000 0.251 23 D C -0.947 175.341 176.300 -0.020 0.000 1.023 23 D CA -0.643 53.367 54.000 0.016 0.000 0.966 23 D CB 0.804 41.621 40.800 0.030 0.000 1.156 23 D HN 0.146 nan 8.370 nan 0.000 0.494 24 L N 1.526 122.738 121.223 -0.018 0.000 2.410 24 L HA 0.167 4.507 4.340 0.000 0.000 0.273 24 L C -0.258 176.558 176.870 -0.089 0.000 1.144 24 L CA 0.417 55.219 54.840 -0.062 0.000 0.863 24 L CB 0.103 42.044 42.059 -0.196 0.000 1.140 24 L HN 0.322 nan 8.230 nan 0.000 0.463 25 E N 4.590 124.692 120.200 -0.162 0.000 2.216 25 E HA 0.297 4.647 4.350 0.000 0.000 0.279 25 E C -1.429 175.011 176.600 -0.268 0.000 0.997 25 E CA -0.386 55.781 56.400 -0.388 0.000 0.817 25 E CB 1.566 30.704 29.700 -0.936 0.000 1.096 25 E HN 0.469 nan 8.360 nan 0.000 0.393 26 F N 1.281 121.060 119.950 -0.285 0.000 2.540 26 F HA 0.415 4.942 4.527 0.000 0.000 0.317 26 F C -0.869 174.952 175.800 0.035 0.000 1.104 26 F CA -0.238 57.727 58.000 -0.059 0.000 0.913 26 F CB 2.105 41.082 39.000 -0.039 0.000 1.170 26 F HN 0.210 nan 8.300 nan 0.000 0.450 27 T N 5.487 120.065 114.554 0.041 0.000 3.071 27 T HA 0.358 4.708 4.350 0.000 0.000 0.311 27 T C -1.340 173.325 174.700 -0.059 0.000 1.042 27 T CA -0.717 61.457 62.100 0.123 0.000 1.028 27 T CB 1.642 70.623 68.868 0.188 0.000 1.068 27 T HN 0.712 nan 8.240 nan 0.000 0.451 28 R N 3.916 124.461 120.500 0.075 0.000 2.387 28 R HA 0.664 5.004 4.340 0.000 0.000 0.314 28 R C -0.792 175.528 176.300 0.034 0.000 0.958 28 R CA -0.686 55.438 56.100 0.040 0.000 0.846 28 R CB 0.661 31.058 30.300 0.161 0.000 1.147 28 R HN 0.554 nan 8.270 nan 0.000 0.447 29 L N 5.800 127.022 121.223 -0.000 0.000 2.456 29 L HA 0.350 4.690 4.340 0.000 0.000 0.257 29 L C -1.447 175.429 176.870 0.009 0.000 1.162 29 L CA -2.279 52.561 54.840 0.000 0.000 0.808 29 L CB 1.070 43.118 42.059 -0.019 0.000 1.136 29 L HN 0.550 nan 8.230 nan 0.000 0.466 30 P HA -0.145 nan 4.420 nan 0.000 0.218 30 P C 0.683 177.987 177.300 0.006 0.000 1.148 30 P CA 1.122 64.227 63.100 0.008 0.000 0.822 30 P CB -0.029 31.672 31.700 0.002 0.000 0.784 31 N N -1.277 117.422 118.700 -0.001 0.000 2.521 31 N HA 0.025 4.765 4.740 0.000 0.000 0.188 31 N C 1.285 176.796 175.510 0.002 0.000 1.146 31 N CA 1.169 54.218 53.050 -0.001 0.000 0.893 31 N CB -1.014 37.469 38.487 -0.006 0.000 0.975 31 N HN 0.228 nan 8.380 nan 0.000 0.451 32 G N -0.472 108.332 108.800 0.006 0.000 2.213 32 G HA2 -0.260 3.700 3.960 0.000 0.000 0.226 32 G HA3 -0.260 3.700 3.960 0.000 0.000 0.226 32 G C -0.224 174.677 174.900 0.002 0.000 0.992 32 G CA 0.091 45.198 45.100 0.012 0.000 0.632 32 G HN 0.478 nan 8.290 nan 0.000 0.511 33 L N 2.002 123.218 121.223 -0.012 0.000 2.455 33 L HA 0.585 4.925 4.340 0.000 0.000 0.272 33 L C 0.478 177.309 176.870 -0.064 0.000 1.174 33 L CA -0.447 54.374 54.840 -0.031 0.000 0.869 33 L CB 1.014 43.055 42.059 -0.030 0.000 1.130 33 L HN 0.033 nan 8.230 nan 0.000 0.474 34 V N 6.576 126.428 119.914 -0.104 0.000 2.472 34 V HA 0.415 4.535 4.120 0.000 0.000 0.290 34 V C 0.018 175.955 176.094 -0.261 0.000 1.037 34 V CA -0.369 61.787 62.300 -0.239 0.000 0.908 34 V CB 1.662 33.314 31.823 -0.285 0.000 0.985 34 V HN 0.563 nan 8.190 nan 0.000 0.454 35 I N 3.603 123.974 120.570 -0.332 0.000 2.509 35 I HA 0.807 4.977 4.170 0.000 0.000 0.293 35 I C -0.029 175.945 176.117 -0.239 0.000 1.020 35 I CA -0.261 60.904 61.300 -0.225 0.000 1.088 35 I CB 2.067 39.957 38.000 -0.183 0.000 1.267 35 I HN 0.701 nan 8.210 nan 0.000 0.430 36 A N 4.122 126.862 122.820 -0.133 0.000 2.437 36 A HA 0.879 5.199 4.320 0.000 0.000 0.293 36 A C -0.774 176.843 177.584 0.055 0.000 1.038 36 A CA -0.455 51.551 52.037 -0.052 0.000 0.708 36 A CB 1.517 20.410 19.000 -0.178 0.000 1.251 36 A HN 0.678 nan 8.150 nan 0.000 0.409 37 S N 1.005 116.808 115.700 0.173 0.000 2.588 37 S HA 0.819 5.289 4.470 0.000 0.000 0.275 37 S C -1.333 173.326 174.600 0.098 0.000 1.130 37 S CA -0.691 57.604 58.200 0.159 0.000 0.855 37 S CB 1.631 64.948 63.200 0.196 0.000 1.116 37 S HN 1.788 nan 8.310 nan 0.000 0.472 38 L N 1.415 122.680 121.223 0.071 0.000 2.406 38 L HA 0.725 5.065 4.340 0.000 0.000 0.272 38 L C -0.892 175.904 176.870 -0.122 0.000 0.980 38 L CA -0.336 54.490 54.840 -0.023 0.000 0.831 38 L CB 1.809 43.855 42.059 -0.022 0.000 1.253 38 L HN 0.927 nan 8.230 nan 0.000 0.406 39 E N 2.800 122.873 120.200 -0.213 0.000 2.105 39 E HA 0.256 4.606 4.350 0.000 0.000 0.285 39 E C -0.021 176.263 176.600 -0.527 0.000 1.055 39 E CA -0.072 56.094 56.400 -0.390 0.000 0.843 39 E CB 0.626 30.012 29.700 -0.524 0.000 1.067 39 E HN 0.621 nan 8.360 nan 0.000 0.398 40 N N 3.660 122.124 118.700 -0.393 0.000 2.205 40 N HA -0.039 4.701 4.740 0.000 0.000 0.201 40 N C -0.549 174.892 175.510 -0.115 0.000 1.128 40 N CA -0.295 52.603 53.050 -0.253 0.000 0.867 40 N CB -0.347 38.035 38.487 -0.176 0.000 0.996 40 N HN 0.498 nan 8.380 nan 0.000 0.503 41 Y N -1.123 119.153 120.300 -0.039 0.000 4.409 41 Y HA -0.270 4.280 4.550 -0.000 0.000 0.228 41 Y C 0.781 176.670 175.900 -0.018 0.000 1.108 41 Y CA -0.045 58.039 58.100 -0.026 0.000 1.955 41 Y CB -2.390 36.060 38.460 -0.018 0.000 1.615 41 Y HN 0.419 nan 8.280 nan 0.000 0.665 42 A N -0.063 122.787 122.820 0.050 0.000 2.332 42 A HA 0.521 4.841 4.320 0.000 0.000 0.258 42 A C -0.865 176.741 177.584 0.036 0.000 1.087 42 A CA -0.689 51.368 52.037 0.034 0.000 0.802 42 A CB 0.301 19.299 19.000 -0.004 0.000 1.042 42 A HN 0.064 nan 8.150 nan 0.000 0.489 43 P HA 0.109 nan 4.420 nan 0.000 0.225 43 P C 0.121 177.433 177.300 0.019 0.000 1.156 43 P CA 1.542 64.658 63.100 0.027 0.000 0.787 43 P CB 0.232 31.946 31.700 0.022 0.000 0.802 44 A N -1.240 121.588 122.820 0.014 0.000 2.380 44 A HA 0.690 5.010 4.320 0.000 0.000 0.315 44 A C -0.211 177.378 177.584 0.009 0.000 1.101 44 A CA -0.322 51.722 52.037 0.012 0.000 0.771 44 A CB 1.201 20.209 19.000 0.013 0.000 1.287 44 A HN -0.104 nan 8.150 nan 0.000 0.436 45 S N -0.026 115.682 115.700 0.013 0.000 2.607 45 S HA 0.762 5.232 4.470 0.000 0.000 0.303 45 S C -0.319 174.298 174.600 0.029 0.000 1.086 45 S CA -0.699 57.510 58.200 0.015 0.000 0.995 45 S CB 1.540 64.747 63.200 0.013 0.000 1.084 45 S HN 0.679 nan 8.310 nan 0.000 0.507 46 R N 1.647 122.172 120.500 0.042 0.000 2.514 46 R HA 0.599 4.939 4.340 0.000 0.000 0.296 46 R C -1.867 174.481 176.300 0.079 0.000 1.012 46 R CA -0.322 55.816 56.100 0.062 0.000 0.897 46 R CB 0.614 30.961 30.300 0.079 0.000 1.184 46 R HN 0.669 nan 8.270 nan 0.000 0.440 47 I N 2.791 123.404 120.570 0.072 0.000 2.545 47 I HA 0.538 4.708 4.170 0.000 0.000 0.292 47 I C 0.056 176.227 176.117 0.089 0.000 1.040 47 I CA -0.933 60.415 61.300 0.081 0.000 1.068 47 I CB 2.441 40.472 38.000 0.052 0.000 1.251 47 I HN 0.736 nan 8.210 nan 0.000 0.424 48 G N 5.216 114.099 108.800 0.139 0.000 2.638 48 G HA2 0.643 4.603 3.960 0.000 0.000 0.302 48 G HA3 0.643 4.603 3.960 0.000 0.000 0.302 48 G C -1.997 172.996 174.900 0.155 0.000 1.365 48 G CA -0.498 44.665 45.100 0.104 0.000 0.987 48 G HN 0.371 nan 8.290 nan 0.000 0.495 49 L N 1.951 123.192 121.223 0.030 0.000 2.295 49 L HA 0.705 5.045 4.340 0.000 0.000 0.281 49 L C -1.338 175.525 176.870 -0.013 0.000 1.018 49 L CA -1.000 53.880 54.840 0.066 0.000 0.841 49 L CB 0.306 42.361 42.059 -0.006 0.000 1.218 49 L HN 0.315 nan 8.230 nan 0.000 0.424 50 F N 5.825 125.762 119.950 -0.021 0.000 2.394 50 F HA 0.587 5.114 4.527 0.000 0.000 0.340 50 F C 0.293 176.050 175.800 -0.072 0.000 1.105 50 F CA -0.315 57.669 58.000 -0.025 0.000 1.124 50 F CB 0.948 39.937 39.000 -0.019 0.000 1.145 50 F HN 0.250 nan 8.300 nan 0.000 0.505 51 I N 2.381 122.966 120.570 0.025 0.000 2.647 51 I HA 0.299 4.469 4.170 0.000 0.000 0.295 51 I C -0.557 175.557 176.117 -0.005 0.000 1.078 51 I CA -1.139 60.107 61.300 -0.089 0.000 1.048 51 I CB 2.324 40.077 38.000 -0.412 0.000 1.239 51 I HN 0.389 nan 8.210 nan 0.000 0.421 52 K N 4.364 124.760 120.400 -0.006 0.000 2.111 52 K HA 0.463 4.783 4.320 0.000 0.000 0.249 52 K C 0.230 176.802 176.600 -0.047 0.000 1.157 52 K CA -0.016 56.297 56.287 0.043 0.000 1.048 52 K CB 0.479 32.972 32.500 -0.013 0.000 1.498 52 K HN 0.754 nan 8.250 nan 0.000 0.344 53 A N 1.846 124.741 122.820 0.125 0.000 2.569 53 A HA 0.238 4.558 4.320 0.000 0.000 0.284 53 A C 0.703 178.504 177.584 0.362 0.000 0.948 53 A CA -0.439 51.709 52.037 0.186 0.000 1.007 53 A CB 0.486 19.673 19.000 0.313 0.000 1.232 53 A HN 0.614 nan 8.150 nan 0.000 0.530 54 G N 0.068 109.058 108.800 0.317 0.000 2.716 54 G HA2 0.307 4.267 3.960 0.000 0.000 0.251 54 G HA3 0.307 4.267 3.960 0.000 0.000 0.251 54 G C 1.267 176.225 174.900 0.097 0.000 1.224 54 G CA 0.471 45.654 45.100 0.138 0.000 0.891 54 G HN 0.928 nan 8.290 nan 0.000 0.561 55 S N -0.589 115.084 115.700 -0.046 0.000 2.440 55 S HA -0.237 4.233 4.470 0.000 0.000 0.240 55 S C 2.066 176.582 174.600 -0.140 0.000 1.014 55 S CA 1.480 59.628 58.200 -0.086 0.000 0.980 55 S CB -0.353 62.754 63.200 -0.155 0.000 0.775 55 S HN 0.831 nan 8.310 nan 0.000 0.499 56 R N -0.084 120.236 120.500 -0.301 0.000 2.241 56 R HA -0.057 4.283 4.340 0.000 0.000 0.224 56 R C 1.048 177.073 176.300 -0.459 0.000 1.101 56 R CA 1.319 57.148 56.100 -0.451 0.000 0.995 56 R CB -0.766 29.141 30.300 -0.655 0.000 0.870 56 R HN 0.509 nan 8.270 nan 0.000 0.463 57 Y N 1.494 121.769 120.300 -0.042 0.000 2.490 57 Y HA 0.236 4.786 4.550 -0.000 0.000 0.281 57 Y C 0.155 176.099 175.900 0.073 0.000 1.174 57 Y CA -0.361 57.703 58.100 -0.059 0.000 1.295 57 Y CB 0.047 38.282 38.460 -0.376 0.000 1.062 57 Y HN 0.142 nan 8.280 nan 0.000 0.522 58 E N 1.110 121.433 120.200 0.205 0.000 2.349 58 E HA 0.198 4.548 4.350 0.000 0.000 0.262 58 E C -0.290 176.382 176.600 0.121 0.000 1.088 58 E CA -0.525 56.005 56.400 0.217 0.000 0.899 58 E CB 0.626 30.372 29.700 0.077 0.000 1.044 58 E HN 0.323 nan 8.360 nan 0.000 0.420 59 N N -0.904 117.868 118.700 0.120 0.000 2.653 59 N HA 0.104 4.844 4.740 0.000 0.000 0.294 59 N C 0.335 175.888 175.510 0.072 0.000 1.305 59 N CA -0.756 52.344 53.050 0.084 0.000 0.827 59 N CB 0.787 39.328 38.487 0.090 0.000 1.415 59 N HN 0.251 nan 8.380 nan 0.000 0.546 60 S N -1.085 114.654 115.700 0.064 0.000 2.420 60 S HA -0.122 4.348 4.470 0.000 0.000 0.237 60 S C 0.733 175.388 174.600 0.092 0.000 1.023 60 S CA 1.204 59.448 58.200 0.073 0.000 0.991 60 S CB -0.748 62.484 63.200 0.053 0.000 0.792 60 S HN 0.555 nan 8.310 nan 0.000 0.488 61 N N 1.801 120.548 118.700 0.079 0.000 2.373 61 N HA 0.043 4.783 4.740 0.000 0.000 0.181 61 N C 0.345 175.894 175.510 0.065 0.000 1.082 61 N CA 0.492 53.589 53.050 0.078 0.000 0.885 61 N CB -0.013 38.512 38.487 0.063 0.000 0.977 61 N HN 0.692 nan 8.380 nan 0.000 0.462 62 N N 0.178 118.911 118.700 0.056 0.000 2.466 62 N HA 0.068 4.809 4.740 0.000 0.000 0.272 62 N C -0.485 175.007 175.510 -0.030 0.000 1.455 62 N CA -0.199 52.860 53.050 0.015 0.000 0.875 62 N CB -0.531 37.985 38.487 0.049 0.000 1.372 62 N HN -0.024 nan 8.380 nan 0.000 0.492 63 L N 0.486 121.698 121.223 -0.018 0.000 2.559 63 L HA 0.230 4.570 4.340 0.000 0.000 0.282 63 L C 1.551 178.347 176.870 -0.123 0.000 1.232 63 L CA 1.390 56.200 54.840 -0.049 0.000 0.885 63 L CB 0.114 42.172 42.059 -0.002 0.000 1.131 63 L HN 0.565 nan 8.230 nan 0.000 0.498 64 G N 1.541 110.269 108.800 -0.120 0.000 2.199 64 G HA2 -0.324 3.636 3.960 0.000 0.000 0.254 64 G HA3 -0.324 3.636 3.960 0.000 0.000 0.254 64 G C 0.863 175.654 174.900 -0.183 0.000 0.982 64 G CA 0.526 45.556 45.100 -0.117 0.000 0.632 64 G HN 0.634 nan 8.290 nan 0.000 0.529 65 T N 1.376 115.774 114.554 -0.261 0.000 2.720 65 T HA -0.100 4.250 4.350 0.000 0.000 0.268 65 T C 2.744 177.145 174.700 -0.498 0.000 1.037 65 T CA 2.764 64.638 62.100 -0.376 0.000 1.144 65 T CB -0.387 68.234 68.868 -0.411 0.000 0.864 65 T HN 1.251 nan 8.240 nan 0.000 0.444 66 S N 0.664 116.005 115.700 -0.598 0.000 2.447 66 S HA -0.150 4.320 4.470 0.000 0.000 0.233 66 S C 1.843 176.344 174.600 -0.165 0.000 1.006 66 S CA 1.089 59.010 58.200 -0.466 0.000 0.957 66 S CB -0.719 62.272 63.200 -0.349 0.000 0.773 66 S HN 0.775 nan 8.310 nan 0.000 0.507 67 H N 0.149 119.067 119.070 -0.253 0.000 2.333 67 H HA 0.040 4.596 4.556 0.000 0.000 0.302 67 H C 2.167 177.404 175.328 -0.152 0.000 1.075 67 H CA 1.200 57.130 56.048 -0.196 0.000 1.348 67 H CB -0.134 29.527 29.762 -0.168 0.000 1.393 67 H HN 0.399 nan 8.280 nan 0.000 0.509 68 L N 0.842 121.953 121.223 -0.187 0.000 2.083 68 L HA -0.125 4.215 4.340 0.000 0.000 0.209 68 L C 2.340 179.126 176.870 -0.139 0.000 1.083 68 L CA 1.093 55.791 54.840 -0.237 0.000 0.752 68 L CB -0.778 41.128 42.059 -0.254 0.000 0.899 68 L HN 0.345 nan 8.230 nan 0.000 0.433 69 L N -0.034 121.107 121.223 -0.137 0.000 2.042 69 L HA -0.222 4.118 4.340 0.000 0.000 0.210 69 L C 2.751 179.669 176.870 0.080 0.000 1.076 69 L CA 2.066 56.889 54.840 -0.027 0.000 0.749 69 L CB -0.721 41.325 42.059 -0.021 0.000 0.893 69 L HN 0.389 nan 8.230 nan 0.000 0.432 70 R N -0.798 119.719 120.500 0.028 0.000 2.120 70 R HA -0.120 4.220 4.340 0.000 0.000 0.234 70 R C 1.931 178.233 176.300 0.003 0.000 1.123 70 R CA 1.580 57.674 56.100 -0.010 0.000 0.975 70 R CB -0.243 30.044 30.300 -0.021 0.000 0.866 70 R HN 0.491 nan 8.270 nan 0.000 0.446 71 L N -0.359 120.870 121.223 0.011 0.000 2.567 71 L HA 0.214 4.554 4.340 0.000 0.000 0.225 71 L C 1.682 178.561 176.870 0.015 0.000 1.119 71 L CA 0.274 55.114 54.840 -0.001 0.000 0.871 71 L CB 0.222 42.251 42.059 -0.051 0.000 1.036 71 L HN 0.189 nan 8.230 nan 0.000 0.459 72 A N -0.274 122.577 122.820 0.053 0.000 2.379 72 A HA 0.048 4.368 4.320 0.000 0.000 0.236 72 A C 2.175 179.837 177.584 0.129 0.000 1.272 72 A CA 0.579 52.673 52.037 0.096 0.000 0.886 72 A CB -0.266 18.828 19.000 0.156 0.000 0.962 72 A HN 0.382 nan 8.150 nan 0.000 0.504 73 S N 0.504 116.286 115.700 0.137 0.000 2.440 73 S HA -0.156 4.314 4.470 0.000 0.000 0.238 73 S C 1.568 176.212 174.600 0.074 0.000 1.010 73 S CA 1.661 59.962 58.200 0.169 0.000 0.972 73 S CB -0.620 62.695 63.200 0.192 0.000 0.774 73 S HN 0.976 nan 8.310 nan 0.000 0.501 74 S N 0.421 116.138 115.700 0.028 0.000 2.575 74 S HA 0.456 4.926 4.470 0.000 0.000 0.237 74 S C 0.328 174.920 174.600 -0.014 0.000 0.975 74 S CA -0.827 57.363 58.200 -0.016 0.000 0.960 74 S CB -0.446 62.729 63.200 -0.041 0.000 0.822 74 S HN 0.445 nan 8.310 nan 0.000 0.472 75 L N 1.714 122.934 121.223 -0.005 0.000 2.466 75 L HA 0.314 4.654 4.340 0.000 0.000 0.257 75 L C 0.684 177.523 176.870 -0.053 0.000 1.189 75 L CA -0.571 54.257 54.840 -0.021 0.000 0.813 75 L CB 0.274 42.325 42.059 -0.014 0.000 1.118 75 L HN 0.129 nan 8.230 nan 0.000 0.471 76 T N 0.802 115.326 114.554 -0.051 0.000 2.946 76 T HA 0.193 4.543 4.350 0.000 0.000 0.311 76 T C 0.285 174.919 174.700 -0.109 0.000 1.063 76 T CA -0.099 61.974 62.100 -0.044 0.000 1.139 76 T CB 0.409 69.270 68.868 -0.012 0.000 0.994 76 T HN 0.793 nan 8.240 nan 0.000 0.547 77 T N 0.035 114.549 114.554 -0.067 0.000 2.907 77 T HA 0.477 4.827 4.350 0.000 0.000 0.290 77 T C 1.067 175.740 174.700 -0.046 0.000 1.066 77 T CA -1.176 60.868 62.100 -0.094 0.000 1.012 77 T CB 1.668 70.495 68.868 -0.067 0.000 1.184 77 T HN 0.401 nan 8.240 nan 0.000 0.522 78 K N 0.194 120.564 120.400 -0.050 0.000 2.103 78 K HA 0.009 4.329 4.320 0.000 0.000 0.207 78 K C 2.039 178.636 176.600 -0.005 0.000 1.048 78 K CA 1.586 57.859 56.287 -0.022 0.000 0.930 78 K CB -0.443 32.044 32.500 -0.023 0.000 0.716 78 K HN 0.777 nan 8.250 nan 0.000 0.444 79 G N -0.499 108.296 108.800 -0.007 0.000 3.020 79 G HA2 0.348 4.308 3.960 0.000 0.000 0.217 79 G HA3 0.348 4.308 3.960 0.000 0.000 0.217 79 G C -0.266 174.654 174.900 0.033 0.000 1.144 79 G CA 0.229 45.328 45.100 -0.003 0.000 0.760 79 G HN 0.275 nan 8.290 nan 0.000 0.548 80 A N 0.326 123.187 122.820 0.068 0.000 2.513 80 A HA 0.647 4.967 4.320 0.000 0.000 0.296 80 A C 0.003 177.652 177.584 0.108 0.000 1.052 80 A CA -0.101 52.022 52.037 0.143 0.000 0.714 80 A CB 0.770 19.955 19.000 0.308 0.000 1.279 80 A HN 0.752 nan 8.150 nan 0.000 0.397 81 S N 1.326 117.099 115.700 0.121 0.000 2.600 81 S HA 0.354 4.824 4.470 0.000 0.000 0.265 81 S C 1.376 176.033 174.600 0.095 0.000 1.325 81 S CA 0.445 58.712 58.200 0.112 0.000 1.002 81 S CB 1.337 64.629 63.200 0.153 0.000 0.921 81 S HN 1.556 nan 8.310 nan 0.000 0.554 82 S N 0.757 116.509 115.700 0.087 0.000 2.370 82 S HA -0.169 4.301 4.470 0.000 0.000 0.226 82 S C 1.428 176.063 174.600 0.059 0.000 1.033 82 S CA 1.564 59.795 58.200 0.051 0.000 1.011 82 S CB -0.937 62.304 63.200 0.068 0.000 0.852 82 S HN 0.722 nan 8.310 nan 0.000 0.457 83 F N 2.044 121.985 119.950 -0.015 0.000 2.102 83 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 83 F C 2.293 178.065 175.800 -0.045 0.000 1.105 83 F CA 2.140 60.128 58.000 -0.021 0.000 1.239 83 F CB -0.384 38.617 39.000 0.002 0.000 0.991 83 F HN 0.168 nan 8.300 nan 0.000 0.474 84 K N 0.584 121.044 120.400 0.100 0.000 2.097 84 K HA -0.151 4.169 4.320 0.000 0.000 0.205 84 K C 2.113 178.543 176.600 -0.283 0.000 1.050 84 K CA 1.806 58.087 56.287 -0.009 0.000 0.938 84 K CB -0.311 32.303 32.500 0.190 0.000 0.718 84 K HN 0.400 nan 8.250 nan 0.000 0.442 85 I N 0.713 121.076 120.570 -0.344 0.000 2.163 85 I HA -0.300 3.870 4.170 0.000 0.000 0.243 85 I C 2.139 177.874 176.117 -0.638 0.000 1.085 85 I CA 1.582 62.442 61.300 -0.734 0.000 1.347 85 I CB -0.410 37.365 38.000 -0.375 0.000 1.044 85 I HN 0.259 nan 8.210 nan 0.000 0.408 86 T N 0.315 114.630 114.554 -0.398 0.000 2.701 86 T HA -0.104 4.246 4.350 0.000 0.000 0.263 86 T C 2.060 176.548 174.700 -0.354 0.000 1.040 86 T CA 0.971 62.874 62.100 -0.328 0.000 1.147 86 T CB -0.138 68.581 68.868 -0.249 0.000 0.865 86 T HN 0.161 nan 8.240 nan 0.000 0.426 87 R N 0.915 121.141 120.500 -0.458 0.000 2.096 87 R HA 0.055 4.395 4.340 0.000 0.000 0.235 87 R C 2.786 178.939 176.300 -0.246 0.000 1.127 87 R CA 1.373 57.234 56.100 -0.397 0.000 0.968 87 R CB -1.398 28.539 30.300 -0.605 0.000 0.861 87 R HN 0.510 nan 8.270 nan 0.000 0.440 88 G N 0.898 109.543 108.800 -0.258 0.000 2.402 88 G HA2 -0.181 3.779 3.960 0.000 0.000 0.216 88 G HA3 -0.181 3.779 3.960 0.000 0.000 0.216 88 G C 1.611 176.479 174.900 -0.053 0.000 1.162 88 G CA 0.374 45.431 45.100 -0.070 0.000 0.777 88 G HN 0.234 nan 8.290 nan 0.000 0.539 89 I N 0.275 120.694 120.570 -0.253 0.000 2.353 89 I HA -0.064 4.106 4.170 0.000 0.000 0.248 89 I C 2.657 178.727 176.117 -0.078 0.000 1.119 89 I CA 0.870 62.095 61.300 -0.126 0.000 1.417 89 I CB -0.175 37.703 38.000 -0.203 0.000 1.078 89 I HN 0.230 nan 8.210 nan 0.000 0.421 90 E N 1.047 121.178 120.200 -0.115 0.000 2.152 90 E HA -0.150 4.200 4.350 0.000 0.000 0.192 90 E C 2.335 178.904 176.600 -0.052 0.000 0.983 90 E CA 1.010 57.361 56.400 -0.082 0.000 0.818 90 E CB -0.078 29.560 29.700 -0.103 0.000 0.758 90 E HN 0.474 nan 8.360 nan 0.000 0.467 91 A N 1.278 124.070 122.820 -0.047 0.000 1.978 91 A HA -0.143 4.177 4.320 0.000 0.000 0.220 91 A C 2.252 179.836 177.584 -0.001 0.000 1.170 91 A CA 1.588 53.613 52.037 -0.019 0.000 0.636 91 A CB -0.404 18.593 19.000 -0.005 0.000 0.810 91 A HN 0.223 nan 8.150 nan 0.000 0.448 92 V N -4.064 115.854 119.914 0.008 0.000 3.177 92 V HA 0.573 4.693 4.120 0.000 0.000 0.342 92 V C 1.105 177.204 176.094 0.008 0.000 1.379 92 V CA 0.246 62.556 62.300 0.015 0.000 1.191 92 V CB -0.943 30.899 31.823 0.032 0.000 1.167 92 V HN 1.374 nan 8.190 nan 0.000 0.471 93 G N 0.191 108.988 108.800 -0.004 0.000 2.283 93 G HA2 -0.175 3.785 3.960 0.000 0.000 0.280 93 G HA3 -0.175 3.785 3.960 0.000 0.000 0.280 93 G C 0.588 175.486 174.900 -0.004 0.000 1.029 93 G CA 0.424 45.520 45.100 -0.007 0.000 0.840 93 G HN 1.327 nan 8.290 nan 0.000 0.505 94 G N -1.055 107.743 108.800 -0.003 0.000 2.563 94 G HA2 0.611 4.571 3.960 0.000 0.000 0.283 94 G HA3 0.611 4.571 3.960 0.000 0.000 0.283 94 G C -0.095 174.800 174.900 -0.008 0.000 1.309 94 G CA 0.070 45.173 45.100 0.005 0.000 1.022 94 G HN 0.657 nan 8.290 nan 0.000 0.501 95 K N -1.304 119.096 120.400 -0.000 0.000 2.523 95 K HA 0.557 4.877 4.320 0.000 0.000 0.257 95 K C -2.130 174.470 176.600 0.000 0.000 0.932 95 K CA -0.777 55.506 56.287 -0.008 0.000 0.812 95 K CB 2.071 34.569 32.500 -0.003 0.000 1.326 95 K HN 0.365 nan 8.250 nan 0.000 0.433 96 L N 2.748 123.964 121.223 -0.010 0.000 2.439 96 L HA 0.598 4.938 4.340 0.000 0.000 0.270 96 L C -1.605 175.259 176.870 -0.010 0.000 0.972 96 L CA 0.138 54.981 54.840 0.005 0.000 0.836 96 L CB 1.869 43.932 42.059 0.007 0.000 1.255 96 L HN 0.733 nan 8.230 nan 0.000 0.404 97 S N 3.425 119.112 115.700 -0.021 0.000 2.595 97 S HA 0.930 5.400 4.470 0.000 0.000 0.281 97 S C -1.247 173.267 174.600 -0.144 0.000 1.117 97 S CA -0.742 57.419 58.200 -0.064 0.000 0.873 97 S CB 1.951 65.115 63.200 -0.059 0.000 1.108 97 S HN 0.476 nan 8.310 nan 0.000 0.477 98 V N 1.637 121.424 119.914 -0.212 0.000 2.487 98 V HA 0.680 4.800 4.120 0.000 0.000 0.298 98 V C -0.410 175.515 176.094 -0.281 0.000 1.028 98 V CA -0.373 61.683 62.300 -0.406 0.000 0.860 98 V CB 1.648 33.154 31.823 -0.527 0.000 0.991 98 V HN 1.059 nan 8.190 nan 0.000 0.427 99 T N 3.167 117.544 114.554 -0.296 0.000 2.841 99 T HA 0.662 5.012 4.350 0.000 0.000 0.283 99 T C -0.408 174.177 174.700 -0.191 0.000 1.000 99 T CA -0.479 61.502 62.100 -0.197 0.000 0.977 99 T CB 1.715 70.490 68.868 -0.154 0.000 0.979 99 T HN 0.660 nan 8.240 nan 0.000 0.446 100 S N 1.447 117.058 115.700 -0.149 0.000 2.570 100 S HA 0.865 5.335 4.470 0.000 0.000 0.286 100 S C -0.004 174.537 174.600 -0.097 0.000 1.099 100 S CA -0.961 57.166 58.200 -0.121 0.000 0.913 100 S CB 2.079 65.193 63.200 -0.145 0.000 1.085 100 S HN 0.935 nan 8.310 nan 0.000 0.480 101 T N -1.039 113.483 114.554 -0.053 0.000 2.724 101 T HA 0.512 4.862 4.350 0.000 0.000 0.274 101 T C 0.583 175.245 174.700 -0.064 0.000 0.984 101 T CA -0.971 61.112 62.100 -0.028 0.000 1.024 101 T CB 0.978 69.882 68.868 0.059 0.000 1.320 101 T HN 0.395 nan 8.240 nan 0.000 0.555 102 R N 0.172 120.624 120.500 -0.080 0.000 2.280 102 R HA 0.089 4.429 4.340 0.000 0.000 0.207 102 R C 1.667 177.856 176.300 -0.185 0.000 1.043 102 R CA 1.113 57.092 56.100 -0.202 0.000 1.006 102 R CB 0.016 30.082 30.300 -0.390 0.000 0.885 102 R HN 0.693 nan 8.270 nan 0.000 0.467 103 E N -0.912 119.262 120.200 -0.044 0.000 2.367 103 E HA 0.095 4.445 4.350 0.000 0.000 0.204 103 E C -0.078 176.622 176.600 0.167 0.000 0.840 103 E CA 0.139 56.555 56.400 0.026 0.000 1.051 103 E CB 0.577 30.330 29.700 0.088 0.000 1.051 103 E HN 0.303 nan 8.360 nan 0.000 0.509 104 N N 0.258 119.035 118.700 0.128 0.000 2.381 104 N HA 0.523 5.263 4.740 0.000 0.000 0.294 104 N C -1.024 174.523 175.510 0.061 0.000 1.216 104 N CA -0.468 52.661 53.050 0.131 0.000 0.803 104 N CB 2.069 40.658 38.487 0.169 0.000 1.372 104 N HN -0.172 nan 8.380 nan 0.000 0.500 105 M N 1.337 120.952 119.600 0.025 0.000 2.327 105 M HA 0.562 5.042 4.480 0.000 0.000 0.298 105 M C -1.566 174.637 176.300 -0.161 0.000 1.065 105 M CA -0.603 54.660 55.300 -0.060 0.000 0.916 105 M CB 2.316 34.937 32.600 0.034 0.000 1.630 105 M HN 0.639 nan 8.290 nan 0.000 0.442 106 A N 3.090 125.714 122.820 -0.327 0.000 2.335 106 A HA 0.729 5.049 4.320 0.000 0.000 0.304 106 A C -1.957 175.369 177.584 -0.430 0.000 1.118 106 A CA -0.427 51.278 52.037 -0.553 0.000 0.757 106 A CB 0.670 19.086 19.000 -0.972 0.000 1.188 106 A HN 0.741 nan 8.150 nan 0.000 0.460 107 Y N 1.742 121.852 120.300 -0.316 0.000 2.353 107 Y HA 0.508 5.058 4.550 -0.000 0.000 0.340 107 Y C 1.080 176.880 175.900 -0.167 0.000 0.972 107 Y CA 0.092 58.092 58.100 -0.167 0.000 1.157 107 Y CB 1.847 40.256 38.460 -0.085 0.000 1.157 107 Y HN 0.686 nan 8.280 nan 0.000 0.495 108 T N 0.964 115.503 114.554 -0.024 0.000 2.863 108 T HA 0.789 5.139 4.350 0.000 0.000 0.285 108 T C -0.751 173.965 174.700 0.026 0.000 1.009 108 T CA -0.849 61.243 62.100 -0.012 0.000 0.989 108 T CB 1.100 69.940 68.868 -0.046 0.000 1.004 108 T HN 0.458 nan 8.240 nan 0.000 0.455 109 V N -0.146 119.792 119.914 0.041 0.000 2.769 109 V HA 0.858 4.978 4.120 0.000 0.000 0.312 109 V C -0.869 175.248 176.094 0.039 0.000 1.061 109 V CA -1.059 61.267 62.300 0.044 0.000 0.931 109 V CB 1.596 33.455 31.823 0.060 0.000 1.010 109 V HN 1.068 nan 8.190 nan 0.000 0.433 110 E N 2.312 122.531 120.200 0.032 0.000 2.272 110 E HA 0.812 5.162 4.350 0.000 0.000 0.269 110 E C -0.986 175.629 176.600 0.026 0.000 0.877 110 E CA -0.509 55.908 56.400 0.028 0.000 0.755 110 E CB 2.286 31.999 29.700 0.022 0.000 1.192 110 E HN 1.269 nan 8.360 nan 0.000 0.422 111 C N -0.290 119.025 119.300 0.024 0.000 3.216 111 C HA 0.462 4.922 4.460 0.000 0.000 0.346 111 C C -0.984 174.017 174.990 0.019 0.000 1.384 111 C CA -1.189 57.843 59.018 0.022 0.000 1.208 111 C CB -0.236 27.522 27.740 0.030 0.000 1.483 111 C HN 0.759 nan 8.230 nan 0.000 0.453 112 L N 2.214 123.447 121.223 0.017 0.000 2.452 112 L HA 0.330 4.670 4.340 0.000 0.000 0.267 112 L C 2.255 179.134 176.870 0.015 0.000 1.188 112 L CA -0.170 54.679 54.840 0.015 0.000 0.821 112 L CB 0.522 42.589 42.059 0.014 0.000 1.102 112 L HN 1.018 nan 8.230 nan 0.000 0.470 113 R N 0.217 120.727 120.500 0.015 0.000 2.159 113 R HA -0.159 4.181 4.340 0.000 0.000 0.237 113 R C 0.485 176.792 176.300 0.012 0.000 1.131 113 R CA 1.546 57.654 56.100 0.013 0.000 0.982 113 R CB -0.314 29.996 30.300 0.016 0.000 0.868 113 R HN 0.600 nan 8.270 nan 0.000 0.453 114 D N 0.999 121.407 120.400 0.013 0.000 2.347 114 D HA -0.058 4.582 4.640 0.000 0.000 0.215 114 D C 0.369 176.673 176.300 0.006 0.000 0.976 114 D CA 0.787 54.793 54.000 0.010 0.000 0.884 114 D CB -0.001 40.805 40.800 0.011 0.000 0.915 114 D HN 0.353 nan 8.370 nan 0.000 0.526 115 D N 0.055 120.461 120.400 0.009 0.000 2.368 115 D HA 0.037 4.677 4.640 0.000 0.000 0.218 115 D C 1.900 178.203 176.300 0.005 0.000 1.112 115 D CA -0.050 53.955 54.000 0.009 0.000 0.834 115 D CB 1.095 41.906 40.800 0.020 0.000 0.953 115 D HN -0.004 nan 8.370 nan 0.000 0.505 116 V N 2.253 122.167 119.914 0.001 0.000 2.469 116 V HA -0.272 3.848 4.120 0.000 0.000 0.251 116 V C 2.254 178.331 176.094 -0.027 0.000 1.064 116 V CA 2.112 64.410 62.300 -0.004 0.000 1.066 116 V CB -0.392 31.429 31.823 -0.003 0.000 0.667 116 V HN 0.263 nan 8.190 nan 0.000 0.461 117 D N 0.413 120.790 120.400 -0.039 0.000 2.123 117 D HA -0.224 4.416 4.640 0.000 0.000 0.196 117 D C 1.904 178.126 176.300 -0.130 0.000 0.992 117 D CA 1.706 55.661 54.000 -0.075 0.000 0.833 117 D CB -0.571 40.192 40.800 -0.062 0.000 0.954 117 D HN 0.466 nan 8.370 nan 0.000 0.455 118 I N -0.003 120.506 120.570 -0.102 0.000 2.163 118 I HA -0.192 3.978 4.170 0.000 0.000 0.240 118 I C 2.496 178.537 176.117 -0.127 0.000 1.081 118 I CA 0.526 61.734 61.300 -0.152 0.000 1.353 118 I CB -0.181 37.806 38.000 -0.021 0.000 1.054 118 I HN 0.005 nan 8.210 nan 0.000 0.407 119 L N -0.234 121.006 121.223 0.027 0.000 2.083 119 L HA -0.210 4.130 4.340 0.000 0.000 0.209 119 L C 2.514 179.407 176.870 0.038 0.000 1.083 119 L CA 1.795 56.705 54.840 0.117 0.000 0.752 119 L CB -0.905 41.206 42.059 0.087 0.000 0.899 119 L HN 0.359 nan 8.230 nan 0.000 0.433 120 M N 0.049 119.620 119.600 -0.049 0.000 2.175 120 M HA -0.201 4.279 4.480 0.000 0.000 0.264 120 M C 2.132 178.332 176.300 -0.168 0.000 1.063 120 M CA 1.602 56.853 55.300 -0.082 0.000 1.119 120 M CB -0.398 32.148 32.600 -0.090 0.000 1.377 120 M HN 0.206 nan 8.290 nan 0.000 0.415 121 E N -1.050 118.973 120.200 -0.295 0.000 2.077 121 E HA -0.190 4.160 4.350 0.000 0.000 0.193 121 E C 1.669 178.074 176.600 -0.326 0.000 0.989 121 E CA 1.367 57.512 56.400 -0.426 0.000 0.800 121 E CB -0.121 29.233 29.700 -0.578 0.000 0.746 121 E HN 0.508 nan 8.360 nan 0.000 0.452 122 F N 0.487 120.378 119.950 -0.098 0.000 2.163 122 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 122 F C 2.189 177.949 175.800 -0.067 0.000 1.094 122 F CA 0.625 58.581 58.000 -0.072 0.000 1.290 122 F CB -0.834 38.136 39.000 -0.050 0.000 1.017 122 F HN 0.139 nan 8.300 nan 0.000 0.483 123 L N 0.202 121.494 121.223 0.115 0.000 2.042 123 L HA -0.197 4.143 4.340 0.000 0.000 0.210 123 L C 2.031 178.886 176.870 -0.025 0.000 1.076 123 L CA 1.810 56.678 54.840 0.046 0.000 0.749 123 L CB -0.944 41.135 42.059 0.033 0.000 0.893 123 L HN 0.134 nan 8.230 nan 0.000 0.432 124 L N -0.628 120.560 121.223 -0.058 0.000 2.093 124 L HA -0.175 4.165 4.340 0.000 0.000 0.208 124 L C 2.409 179.242 176.870 -0.062 0.000 1.085 124 L CA 1.060 55.856 54.840 -0.073 0.000 0.755 124 L CB -0.743 41.242 42.059 -0.124 0.000 0.904 124 L HN 0.403 nan 8.230 nan 0.000 0.435 125 N N -0.174 118.493 118.700 -0.055 0.000 2.142 125 N HA -0.130 4.610 4.740 0.000 0.000 0.186 125 N C 1.894 177.374 175.510 -0.050 0.000 1.023 125 N CA 1.267 54.293 53.050 -0.040 0.000 0.852 125 N CB -0.042 38.447 38.487 0.003 0.000 0.998 125 N HN 0.101 nan 8.380 nan 0.000 0.424 126 V N 1.248 121.144 119.914 -0.029 0.000 2.343 126 V HA -0.205 3.915 4.120 0.000 0.000 0.247 126 V C 2.505 178.529 176.094 -0.118 0.000 1.051 126 V CA 2.272 64.540 62.300 -0.055 0.000 1.036 126 V CB -0.927 30.901 31.823 0.010 0.000 0.654 126 V HN 0.547 nan 8.190 nan 0.000 0.451 127 T N -2.953 111.515 114.554 -0.143 0.000 3.051 127 T HA -0.056 4.294 4.350 0.000 0.000 0.255 127 T C 1.504 176.241 174.700 0.060 0.000 1.085 127 T CA 1.233 63.287 62.100 -0.078 0.000 1.109 127 T CB -0.061 68.677 68.868 -0.216 0.000 0.921 127 T HN 0.589 nan 8.240 nan 0.000 0.488 128 T N -2.095 112.458 114.554 -0.002 0.000 3.003 128 T HA 0.658 5.008 4.350 0.000 0.000 0.261 128 T C 1.004 175.692 174.700 -0.019 0.000 1.003 128 T CA 0.130 62.241 62.100 0.018 0.000 0.917 128 T CB 0.310 69.197 68.868 0.031 0.000 1.084 128 T HN 0.434 nan 8.240 nan 0.000 0.522 129 A N 2.314 125.096 122.820 -0.063 0.000 2.676 129 A HA 0.542 4.862 4.320 0.000 0.000 0.258 129 A C -2.862 174.624 177.584 -0.163 0.000 0.898 129 A CA -1.034 50.955 52.037 -0.080 0.000 1.087 129 A CB 0.492 19.463 19.000 -0.049 0.000 1.214 129 A HN 0.387 nan 8.150 nan 0.000 0.474 130 P HA 0.189 nan 4.420 nan 0.000 0.275 130 P C -0.052 176.895 177.300 -0.587 0.000 1.228 130 P CA 0.265 63.009 63.100 -0.592 0.000 0.786 130 P CB 1.366 32.445 31.700 -1.034 0.000 0.927 131 E N 0.538 120.422 120.200 -0.526 0.000 2.389 131 E HA 0.093 4.443 4.350 0.000 0.000 0.199 131 E C -0.272 176.210 176.600 -0.198 0.000 0.978 131 E CA -0.093 56.164 56.400 -0.238 0.000 0.912 131 E CB -0.216 29.399 29.700 -0.141 0.000 0.907 131 E HN 0.288 nan 8.360 nan 0.000 0.494 132 F N 1.783 121.607 119.950 -0.210 0.000 2.866 132 F HA -0.253 4.274 4.527 -0.000 0.000 0.254 132 F C 0.138 175.784 175.800 -0.257 0.000 1.009 132 F CA 0.374 58.206 58.000 -0.281 0.000 0.907 132 F CB -2.058 36.650 39.000 -0.486 0.000 0.859 132 F HN -0.063 nan 8.300 nan 0.000 0.842 133 R N 0.678 121.029 120.500 -0.250 0.000 2.522 133 R HA 0.107 4.447 4.340 0.000 0.000 0.284 133 R C 1.671 177.607 176.300 -0.606 0.000 1.032 133 R CA -0.081 55.654 56.100 -0.609 0.000 1.049 133 R CB 0.403 30.071 30.300 -1.054 0.000 0.956 133 R HN 0.455 nan 8.270 nan 0.000 0.422 134 R N 2.722 122.912 120.500 -0.518 0.000 2.133 134 R HA -0.236 4.104 4.340 0.000 0.000 0.245 134 R C 1.648 177.886 176.300 -0.104 0.000 1.137 134 R CA 2.701 58.680 56.100 -0.201 0.000 0.947 134 R CB -0.193 30.101 30.300 -0.010 0.000 0.865 134 R HN 0.839 nan 8.270 nan 0.000 0.437 135 W N 0.106 121.425 121.300 0.032 0.000 2.436 135 W HA 0.055 4.716 4.660 0.000 0.000 0.284 135 W C 1.362 177.893 176.519 0.021 0.000 1.225 135 W CA 0.712 58.070 57.345 0.021 0.000 1.271 135 W CB -0.326 29.144 29.460 0.017 0.000 1.114 135 W HN 0.086 nan 8.180 nan 0.000 0.559 136 E N 0.985 121.059 120.200 -0.210 0.000 2.107 136 E HA -0.136 4.214 4.350 0.000 0.000 0.191 136 E C 2.271 178.845 176.600 -0.042 0.000 0.982 136 E CA 1.437 57.800 56.400 -0.063 0.000 0.809 136 E CB -0.271 29.342 29.700 -0.145 0.000 0.756 136 E HN 0.194 nan 8.360 nan 0.000 0.459 137 V N 1.506 121.369 119.914 -0.085 0.000 2.358 137 V HA -0.240 3.880 4.120 0.000 0.000 0.246 137 V C 2.328 178.399 176.094 -0.039 0.000 1.047 137 V CA 1.800 64.065 62.300 -0.059 0.000 1.035 137 V CB -0.592 31.183 31.823 -0.081 0.000 0.658 137 V HN 0.285 nan 8.190 nan 0.000 0.452 138 A N 0.129 122.944 122.820 -0.008 0.000 1.877 138 A HA -0.097 4.223 4.320 0.000 0.000 0.216 138 A C 2.402 179.997 177.584 0.017 0.000 1.186 138 A CA 1.943 53.987 52.037 0.012 0.000 0.620 138 A CB -0.803 18.228 19.000 0.052 0.000 0.822 138 A HN 0.567 nan 8.150 nan 0.000 0.443 139 A N -0.953 121.893 122.820 0.043 0.000 2.070 139 A HA 0.017 4.337 4.320 0.000 0.000 0.220 139 A C 2.031 179.623 177.584 0.013 0.000 1.159 139 A CA 1.634 53.696 52.037 0.042 0.000 0.656 139 A CB -0.422 18.624 19.000 0.077 0.000 0.800 139 A HN 0.658 nan 8.150 nan 0.000 0.453 140 L N -0.837 120.383 121.223 -0.005 0.000 2.341 140 L HA -0.030 4.310 4.340 0.000 0.000 0.214 140 L C 2.222 179.059 176.870 -0.054 0.000 1.115 140 L CA 1.247 56.071 54.840 -0.026 0.000 0.820 140 L CB -0.469 41.571 42.059 -0.032 0.000 0.944 140 L HN 0.330 nan 8.230 nan 0.000 0.452 141 Q N 0.490 120.256 119.800 -0.058 0.000 2.096 141 Q HA -0.213 4.127 4.340 0.000 0.000 0.208 141 Q C -0.129 175.828 176.000 -0.072 0.000 0.993 141 Q CA 2.499 58.255 55.803 -0.078 0.000 0.862 141 Q CB -2.103 26.597 28.738 -0.063 0.000 0.915 141 Q HN 0.432 nan 8.270 nan 0.000 0.416 142 P HA -0.165 nan 4.420 nan 0.000 0.218 142 P C 1.293 178.569 177.300 -0.040 0.000 1.146 142 P CA 1.364 64.444 63.100 -0.034 0.000 0.813 142 P CB -0.079 31.610 31.700 -0.017 0.000 0.778 143 Q N -0.485 119.286 119.800 -0.049 0.000 2.226 143 Q HA -0.112 4.228 4.340 0.000 0.000 0.204 143 Q C 1.860 177.819 176.000 -0.068 0.000 0.975 143 Q CA 1.293 57.068 55.803 -0.047 0.000 0.866 143 Q CB -1.164 27.546 28.738 -0.046 0.000 0.915 143 Q HN 0.225 nan 8.270 nan 0.000 0.440 144 L N -0.716 120.430 121.223 -0.127 0.000 2.083 144 L HA -0.153 4.187 4.340 0.000 0.000 0.209 144 L C 2.573 179.420 176.870 -0.039 0.000 1.083 144 L CA 1.397 56.120 54.840 -0.195 0.000 0.752 144 L CB -0.335 41.572 42.059 -0.253 0.000 0.899 144 L HN 0.176 nan 8.230 nan 0.000 0.433 145 R N 0.376 120.855 120.500 -0.035 0.000 2.066 145 R HA -0.117 4.223 4.340 0.000 0.000 0.232 145 R C 2.330 178.627 176.300 -0.005 0.000 1.131 145 R CA 1.359 57.451 56.100 -0.013 0.000 0.955 145 R CB -0.150 30.139 30.300 -0.018 0.000 0.851 145 R HN 0.273 nan 8.270 nan 0.000 0.432 146 I N 0.410 120.976 120.570 -0.006 0.000 2.179 146 I HA -0.275 3.895 4.170 0.000 0.000 0.242 146 I C 2.015 178.138 176.117 0.009 0.000 1.088 146 I CA 1.621 62.920 61.300 -0.002 0.000 1.357 146 I CB -0.409 37.590 38.000 -0.002 0.000 1.051 146 I HN 0.243 nan 8.210 nan 0.000 0.409 147 D N 0.979 121.406 120.400 0.045 0.000 2.123 147 D HA -0.254 4.386 4.640 0.000 0.000 0.196 147 D C 2.196 178.530 176.300 0.057 0.000 0.992 147 D CA 1.498 55.559 54.000 0.102 0.000 0.833 147 D CB 0.022 40.960 40.800 0.228 0.000 0.954 147 D HN 0.103 nan 8.370 nan 0.000 0.455 148 K N -0.416 120.019 120.400 0.060 0.000 2.057 148 K HA -0.054 4.266 4.320 0.000 0.000 0.206 148 K C 2.044 178.508 176.600 -0.227 0.000 1.050 148 K CA 1.064 57.261 56.287 -0.150 0.000 0.935 148 K CB -0.171 32.321 32.500 -0.014 0.000 0.715 148 K HN 0.130 nan 8.250 nan 0.000 0.439 149 A N 0.653 123.408 122.820 -0.108 0.000 1.933 149 A HA -0.114 4.206 4.320 0.000 0.000 0.218 149 A C 2.202 179.728 177.584 -0.097 0.000 1.175 149 A CA 1.573 53.556 52.037 -0.091 0.000 0.628 149 A CB -0.589 18.385 19.000 -0.043 0.000 0.814 149 A HN 0.176 nan 8.150 nan 0.000 0.444 150 V N -0.285 119.579 119.914 -0.084 0.000 2.270 150 V HA -0.227 3.893 4.120 0.000 0.000 0.245 150 V C 3.077 179.107 176.094 -0.107 0.000 1.043 150 V CA 1.958 64.218 62.300 -0.066 0.000 1.014 150 V CB -1.218 30.586 31.823 -0.032 0.000 0.645 150 V HN 0.615 nan 8.190 nan 0.000 0.447 151 A N -0.250 122.454 122.820 -0.193 0.000 1.902 151 A HA -0.127 4.193 4.320 0.000 0.000 0.217 151 A C 2.033 179.448 177.584 -0.282 0.000 1.181 151 A CA 1.549 53.426 52.037 -0.268 0.000 0.623 151 A CB -0.579 18.072 19.000 -0.582 0.000 0.818 151 A HN 0.514 nan 8.150 nan 0.000 0.443 152 L N -0.232 120.781 121.223 -0.351 0.000 2.675 152 L HA -0.083 4.257 4.340 0.000 0.000 0.238 152 L C 2.077 178.922 176.870 -0.042 0.000 1.155 152 L CA 0.333 54.980 54.840 -0.321 0.000 0.881 152 L CB -0.546 41.230 42.059 -0.471 0.000 1.008 152 L HN 0.555 nan 8.230 nan 0.000 0.443 153 Q N -0.132 119.643 119.800 -0.041 0.000 2.435 153 Q HA 0.016 4.356 4.340 0.000 0.000 0.207 153 Q C 0.138 176.149 176.000 0.018 0.000 0.956 153 Q CA 0.348 56.155 55.803 0.007 0.000 0.917 153 Q CB 0.246 28.977 28.738 -0.012 0.000 0.997 153 Q HN 0.503 nan 8.270 nan 0.000 0.497 154 N N 1.303 120.011 118.700 0.013 0.000 2.439 154 N HA 0.102 4.842 4.740 0.000 0.000 0.249 154 N C -2.144 173.404 175.510 0.063 0.000 1.003 154 N CA -1.292 51.770 53.050 0.021 0.000 0.942 154 N CB 1.461 39.957 38.487 0.015 0.000 1.115 154 N HN -0.065 nan 8.380 nan 0.000 0.505 155 P HA -0.126 nan 4.420 nan 0.000 0.218 155 P C 0.985 178.286 177.300 0.001 0.000 1.148 155 P CA 1.290 64.290 63.100 -0.166 0.000 0.822 155 P CB 0.495 31.739 31.700 -0.761 0.000 0.784 156 Q N -0.399 119.455 119.800 0.089 0.000 2.135 156 Q HA -0.131 4.209 4.340 0.000 0.000 0.204 156 Q C 2.260 178.375 176.000 0.191 0.000 0.981 156 Q CA 1.958 57.904 55.803 0.239 0.000 0.856 156 Q CB -1.321 27.486 28.738 0.116 0.000 0.902 156 Q HN 0.205 nan 8.270 nan 0.000 0.425 157 A N 0.327 123.216 122.820 0.115 0.000 1.902 157 A HA -0.233 4.087 4.320 0.000 0.000 0.217 157 A C 1.807 179.428 177.584 0.063 0.000 1.181 157 A CA 1.484 53.561 52.037 0.068 0.000 0.623 157 A CB -0.726 18.242 19.000 -0.053 0.000 0.818 157 A HN 0.424 nan 8.150 nan 0.000 0.443 158 H N -0.686 118.388 119.070 0.007 0.000 2.290 158 H HA -0.118 4.438 4.556 -0.000 0.000 0.298 158 H C 2.344 177.693 175.328 0.035 0.000 1.087 158 H CA 1.968 58.017 56.048 0.000 0.000 1.291 158 H CB -0.376 29.362 29.762 -0.040 0.000 1.369 158 H HN 0.300 nan 8.280 nan 0.000 0.492 159 V N 1.441 121.477 119.914 0.204 0.000 2.295 159 V HA -0.224 3.896 4.120 0.000 0.000 0.246 159 V C 2.640 178.811 176.094 0.128 0.000 1.049 159 V CA 1.268 63.646 62.300 0.131 0.000 1.024 159 V CB -0.381 31.527 31.823 0.142 0.000 0.648 159 V HN 0.291 nan 8.190 nan 0.000 0.447 160 I N -0.194 120.495 120.570 0.199 0.000 2.315 160 I HA -0.112 4.058 4.170 0.000 0.000 0.248 160 I C 2.558 178.859 176.117 0.306 0.000 1.117 160 I CA 1.255 62.695 61.300 0.233 0.000 1.404 160 I CB -1.295 36.885 38.000 0.300 0.000 1.071 160 I HN 0.359 nan 8.210 nan 0.000 0.419 161 E N 0.874 121.198 120.200 0.206 0.000 2.072 161 E HA -0.153 4.197 4.350 0.000 0.000 0.191 161 E C 1.905 178.605 176.600 0.167 0.000 0.985 161 E CA 0.839 57.343 56.400 0.174 0.000 0.801 161 E CB -0.416 29.349 29.700 0.110 0.000 0.750 161 E HN 0.467 nan 8.360 nan 0.000 0.452 162 N N 0.943 119.714 118.700 0.119 0.000 2.244 162 N HA -0.127 4.613 4.740 0.000 0.000 0.183 162 N C 1.920 177.462 175.510 0.052 0.000 1.016 162 N CA 0.402 53.498 53.050 0.076 0.000 0.866 162 N CB -0.336 38.180 38.487 0.048 0.000 0.980 162 N HN 0.092 nan 8.380 nan 0.000 0.430 163 L N 0.860 122.107 121.223 0.040 0.000 2.017 163 L HA -0.159 4.181 4.340 0.000 0.000 0.208 163 L C 1.804 178.648 176.870 -0.043 0.000 1.073 163 L CA 1.902 56.706 54.840 -0.060 0.000 0.745 163 L CB -0.726 41.238 42.059 -0.158 0.000 0.894 163 L HN 0.178 nan 8.230 nan 0.000 0.432 164 H N -0.825 118.304 119.070 0.098 0.000 2.387 164 H HA 0.013 4.569 4.556 0.000 0.000 0.299 164 H C 2.164 177.584 175.328 0.153 0.000 1.090 164 H CA 1.431 57.596 56.048 0.195 0.000 1.332 164 H CB -0.367 29.512 29.762 0.196 0.000 1.386 164 H HN 0.498 nan 8.280 nan 0.000 0.516 165 A N 0.595 123.532 122.820 0.195 0.000 1.972 165 A HA -0.064 4.256 4.320 0.000 0.000 0.219 165 A C 2.446 180.068 177.584 0.063 0.000 1.169 165 A CA 1.468 53.579 52.037 0.122 0.000 0.635 165 A CB -0.821 18.234 19.000 0.091 0.000 0.810 165 A HN 0.471 nan 8.150 nan 0.000 0.446 166 A N -0.470 122.353 122.820 0.006 0.000 1.930 166 A HA 0.346 4.666 4.320 0.000 0.000 0.215 166 A C 2.413 179.890 177.584 -0.179 0.000 1.176 166 A CA 1.554 53.552 52.037 -0.066 0.000 0.632 166 A CB -0.736 18.209 19.000 -0.093 0.000 0.819 166 A HN 0.898 nan 8.150 nan 0.000 0.445 167 A N -1.506 121.157 122.820 -0.261 0.000 1.929 167 A HA 0.261 4.581 4.320 0.000 0.000 0.216 167 A C 0.658 177.769 177.584 -0.789 0.000 1.176 167 A CA 0.606 52.259 52.037 -0.640 0.000 0.628 167 A CB -0.321 18.304 19.000 -0.624 0.000 0.816 167 A HN 0.455 nan 8.150 nan 0.000 0.444 168 Y N -1.431 118.798 120.300 -0.118 0.000 2.420 168 Y HA 0.509 5.059 4.550 -0.000 0.000 0.334 168 Y C 1.279 177.168 175.900 -0.018 0.000 1.094 168 Y CA -0.850 57.221 58.100 -0.049 0.000 1.126 168 Y CB 1.361 39.827 38.460 0.009 0.000 1.217 168 Y HN 0.028 nan 8.280 nan 0.000 0.462 169 R N 1.044 121.631 120.500 0.144 0.000 2.193 169 R HA 0.012 4.352 4.340 0.000 0.000 0.213 169 R C 0.022 176.344 176.300 0.037 0.000 1.055 169 R CA 0.886 56.994 56.100 0.014 0.000 0.995 169 R CB -0.045 30.223 30.300 -0.053 0.000 0.893 169 R HN 0.785 nan 8.270 nan 0.000 0.459 170 N N -2.138 116.606 118.700 0.075 0.000 3.517 170 N HA 0.195 4.935 4.740 0.000 0.000 0.329 170 N C 0.371 175.857 175.510 -0.040 0.000 1.569 170 N CA 0.030 53.092 53.050 0.020 0.000 0.852 170 N CB 0.038 38.529 38.487 0.007 0.000 1.955 170 N HN -0.115 nan 8.380 nan 0.000 0.555 171 A N 0.492 123.260 122.820 -0.087 0.000 4.368 171 A HA -0.338 3.982 4.320 0.000 0.000 0.362 171 A C 1.764 179.184 177.584 -0.275 0.000 2.036 171 A CA 3.152 55.075 52.037 -0.191 0.000 0.807 171 A CB -2.174 16.688 19.000 -0.230 0.000 1.408 171 A HN 0.717 nan 8.150 nan 0.000 0.477 172 L N -0.325 120.637 121.223 -0.434 0.000 2.549 172 L HA -0.032 4.308 4.340 0.000 0.000 0.230 172 L C 2.806 179.544 176.870 -0.220 0.000 1.162 172 L CA 0.883 55.388 54.840 -0.559 0.000 0.834 172 L CB -0.536 40.850 42.059 -1.121 0.000 0.947 172 L HN 0.723 nan 8.230 nan 0.000 0.452 173 A N -0.752 122.032 122.820 -0.060 0.000 2.067 173 A HA -0.034 4.286 4.320 0.000 0.000 0.217 173 A C 0.946 178.554 177.584 0.040 0.000 1.156 173 A CA 0.293 52.397 52.037 0.111 0.000 0.683 173 A CB -0.314 18.762 19.000 0.127 0.000 0.808 173 A HN 0.357 nan 8.150 nan 0.000 0.455 174 N N 0.979 119.653 118.700 -0.043 0.000 2.454 174 N HA 0.127 4.867 4.740 0.000 0.000 0.254 174 N C 0.038 175.504 175.510 -0.074 0.000 1.228 174 N CA 0.312 53.331 53.050 -0.051 0.000 0.900 174 N CB 0.636 39.075 38.487 -0.081 0.000 1.089 174 N HN 0.243 nan 8.380 nan 0.000 0.449 175 S N 0.960 116.632 115.700 -0.046 0.000 2.617 175 S HA 0.267 4.737 4.470 0.000 0.000 0.269 175 S C 1.535 176.041 174.600 -0.156 0.000 1.292 175 S CA -0.690 57.476 58.200 -0.057 0.000 1.010 175 S CB 0.413 63.626 63.200 0.021 0.000 0.944 175 S HN 0.461 nan 8.310 nan 0.000 0.536 176 L N 2.128 123.193 121.223 -0.264 0.000 2.395 176 L HA 0.120 4.460 4.340 0.000 0.000 0.218 176 L C -0.400 175.967 176.870 -0.839 0.000 1.130 176 L CA 0.513 55.029 54.840 -0.540 0.000 0.826 176 L CB -0.202 41.444 42.059 -0.688 0.000 0.941 176 L HN 0.614 nan 8.230 nan 0.000 0.451 177 Y N -1.727 118.414 120.300 -0.264 0.000 2.409 177 Y HA 0.239 4.789 4.550 -0.000 0.000 0.339 177 Y C 0.388 176.273 175.900 -0.025 0.000 1.033 177 Y CA -1.319 56.599 58.100 -0.303 0.000 1.094 177 Y CB 1.104 39.417 38.460 -0.245 0.000 1.210 177 Y HN -0.188 nan 8.280 nan 0.000 0.456 178 C N 5.780 125.315 119.300 0.392 0.000 2.634 178 C HA 0.234 4.694 4.460 0.000 0.000 0.418 178 C C -2.116 172.905 174.990 0.052 0.000 1.373 178 C CA -1.434 57.672 59.018 0.146 0.000 1.756 178 C CB -0.627 27.153 27.740 0.067 0.000 2.589 178 C HN 0.545 nan 8.230 nan 0.000 0.602 179 P HA 0.117 nan 4.420 nan 0.000 0.269 179 P C 0.370 177.622 177.300 -0.080 0.000 1.209 179 P CA 0.248 63.330 63.100 -0.030 0.000 0.776 179 P CB 0.545 32.222 31.700 -0.038 0.000 0.876 180 D N 1.124 121.538 120.400 0.024 0.000 2.133 180 D HA -0.210 4.430 4.640 0.000 0.000 0.195 180 D C 1.673 177.980 176.300 0.013 0.000 0.997 180 D CA 1.788 55.802 54.000 0.023 0.000 0.840 180 D CB -0.783 40.054 40.800 0.062 0.000 0.947 180 D HN 0.610 nan 8.370 nan 0.000 0.452 181 Y N -0.019 120.284 120.300 0.005 0.000 2.497 181 Y HA 0.036 4.586 4.550 0.000 0.000 0.292 181 Y C 1.778 177.675 175.900 -0.005 0.000 1.137 181 Y CA 0.785 58.885 58.100 0.000 0.000 1.285 181 Y CB -0.110 38.351 38.460 0.002 0.000 0.991 181 Y HN -0.212 nan 8.280 nan 0.000 0.556 182 R N 1.065 121.153 120.500 -0.686 0.000 2.246 182 R HA 0.237 4.577 4.340 0.000 0.000 0.199 182 R C 0.263 176.414 176.300 -0.249 0.000 0.984 182 R CA 0.018 55.793 56.100 -0.542 0.000 1.015 182 R CB -0.162 29.743 30.300 -0.659 0.000 0.930 182 R HN 0.388 nan 8.270 nan 0.000 0.475 183 I N 1.229 121.693 120.570 -0.176 0.000 2.664 183 I HA -0.079 4.091 4.170 0.000 0.000 0.284 183 I C 1.227 177.294 176.117 -0.083 0.000 1.154 183 I CA 1.086 62.316 61.300 -0.117 0.000 1.402 183 I CB 0.380 38.333 38.000 -0.078 0.000 1.395 183 I HN 0.427 nan 8.210 nan 0.000 0.545 184 G N 5.242 113.992 108.800 -0.084 0.000 2.194 184 G HA2 -0.219 3.741 3.960 0.000 0.000 0.236 184 G HA3 -0.219 3.741 3.960 0.000 0.000 0.236 184 G C 0.877 175.745 174.900 -0.053 0.000 0.987 184 G CA -0.297 44.770 45.100 -0.055 0.000 0.635 184 G HN 0.557 nan 8.290 nan 0.000 0.520 185 K N 0.061 120.415 120.400 -0.076 0.000 2.373 185 K HA 0.359 4.679 4.320 0.000 0.000 0.200 185 K C 0.902 177.452 176.600 -0.083 0.000 1.054 185 K CA 0.190 56.439 56.287 -0.064 0.000 1.065 185 K CB 1.245 33.712 32.500 -0.055 0.000 0.886 185 K HN 0.348 nan 8.250 nan 0.000 0.546 186 V N 4.059 123.903 119.914 -0.117 0.000 2.446 186 V HA 0.014 4.134 4.120 0.000 0.000 0.276 186 V C 0.858 176.877 176.094 -0.124 0.000 1.030 186 V CA -0.085 62.132 62.300 -0.138 0.000 1.033 186 V CB 0.137 31.851 31.823 -0.183 0.000 0.993 186 V HN 0.313 nan 8.190 nan 0.000 0.477 187 T N 3.371 117.861 114.554 -0.106 0.000 2.902 187 T HA 0.389 4.739 4.350 0.000 0.000 0.280 187 T C -1.788 172.838 174.700 -0.125 0.000 0.992 187 T CA -2.013 60.036 62.100 -0.086 0.000 1.015 187 T CB 1.819 70.662 68.868 -0.042 0.000 1.044 187 T HN 0.352 nan 8.240 nan 0.000 0.520 188 P HA -0.044 nan 4.420 nan 0.000 0.217 188 P C 1.731 179.035 177.300 0.006 0.000 1.150 188 P CA 0.423 63.479 63.100 -0.073 0.000 0.832 188 P CB -0.096 31.626 31.700 0.036 0.000 0.787 189 V N 0.112 120.059 119.914 0.055 0.000 2.407 189 V HA -0.240 3.880 4.120 0.000 0.000 0.248 189 V C 2.184 178.300 176.094 0.036 0.000 1.055 189 V CA 1.821 64.175 62.300 0.090 0.000 1.049 189 V CB -1.086 30.765 31.823 0.048 0.000 0.662 189 V HN 0.210 nan 8.190 nan 0.000 0.455 190 E N -0.184 119.994 120.200 -0.036 0.000 2.106 190 E HA -0.158 4.192 4.350 0.000 0.000 0.192 190 E C 2.223 178.761 176.600 -0.103 0.000 0.984 190 E CA 1.018 57.392 56.400 -0.042 0.000 0.806 190 E CB -0.137 29.522 29.700 -0.068 0.000 0.750 190 E HN 0.503 nan 8.360 nan 0.000 0.458 191 L N 0.483 121.520 121.223 -0.311 0.000 2.027 191 L HA -0.174 4.166 4.340 0.000 0.000 0.206 191 L C 2.559 179.164 176.870 -0.442 0.000 1.074 191 L CA 0.979 55.432 54.840 -0.645 0.000 0.745 191 L CB -0.459 40.727 42.059 -1.454 0.000 0.898 191 L HN 0.229 nan 8.230 nan 0.000 0.433 192 H N -0.587 118.382 119.070 -0.169 0.000 2.321 192 H HA -0.216 4.340 4.556 -0.000 0.000 0.300 192 H C 1.855 177.196 175.328 0.022 0.000 1.087 192 H CA 2.123 58.215 56.048 0.073 0.000 1.319 192 H CB -0.168 29.652 29.762 0.097 0.000 1.379 192 H HN 0.393 nan 8.280 nan 0.000 0.501 193 D N -0.165 120.317 120.400 0.136 0.000 2.104 193 D HA -0.218 4.422 4.640 0.000 0.000 0.194 193 D C 2.222 178.566 176.300 0.074 0.000 0.994 193 D CA 1.089 55.137 54.000 0.080 0.000 0.830 193 D CB -0.343 40.502 40.800 0.075 0.000 0.959 193 D HN 0.277 nan 8.370 nan 0.000 0.452 194 Y N -0.042 120.259 120.300 0.000 0.000 2.181 194 Y HA -0.157 4.393 4.550 0.000 0.000 0.288 194 Y C 2.272 178.221 175.900 0.081 0.000 1.146 194 Y CA 1.342 59.506 58.100 0.107 0.000 1.164 194 Y CB -0.195 38.281 38.460 0.026 0.000 0.982 194 Y HN -0.073 nan 8.280 nan 0.000 0.515 195 V N 0.123 120.033 119.914 -0.006 0.000 2.358 195 V HA -0.332 3.788 4.120 0.000 0.000 0.246 195 V C 2.054 178.075 176.094 -0.121 0.000 1.047 195 V CA 2.249 64.346 62.300 -0.338 0.000 1.035 195 V CB -0.613 30.995 31.823 -0.359 0.000 0.658 195 V HN 0.444 nan 8.190 nan 0.000 0.452 196 Q N -0.160 119.614 119.800 -0.043 0.000 2.167 196 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 196 Q C 2.005 177.934 176.000 -0.118 0.000 0.970 196 Q CA 1.430 57.210 55.803 -0.037 0.000 0.855 196 Q CB -0.164 28.568 28.738 -0.009 0.000 0.911 196 Q HN 0.604 nan 8.270 nan 0.000 0.438 197 N N -0.711 117.833 118.700 -0.259 0.000 2.416 197 N HA -0.049 4.691 4.740 0.000 0.000 0.177 197 N C 0.670 175.737 175.510 -0.738 0.000 1.036 197 N CA 1.010 53.743 53.050 -0.528 0.000 0.901 197 N CB 0.247 38.280 38.487 -0.756 0.000 0.976 197 N HN 0.446 nan 8.380 nan 0.000 0.444 198 H N -2.151 116.847 119.070 -0.121 0.000 3.091 198 H HA 0.271 4.827 4.556 -0.000 0.000 0.249 198 H C -0.295 175.129 175.328 0.160 0.000 0.985 198 H CA -0.257 55.741 56.048 -0.082 0.000 1.177 198 H CB 0.192 29.809 29.762 -0.242 0.000 1.456 198 H HN -0.047 nan 8.280 nan 0.000 0.467 199 F N 3.522 123.475 119.950 0.005 0.000 2.640 199 F HA 0.213 4.740 4.527 -0.000 0.000 0.354 199 F C 0.753 176.542 175.800 -0.018 0.000 1.213 199 F CA -0.639 57.368 58.000 0.013 0.000 1.314 199 F CB -0.793 38.224 39.000 0.027 0.000 1.679 199 F HN -0.001 nan 8.300 nan 0.000 0.622 200 T N -3.479 111.134 114.554 0.098 0.000 2.912 200 T HA 0.335 4.685 4.350 0.000 0.000 0.288 200 T C 1.297 176.005 174.700 0.013 0.000 1.030 200 T CA -0.133 61.990 62.100 0.039 0.000 1.020 200 T CB 1.713 70.580 68.868 -0.002 0.000 1.056 200 T HN 0.242 nan 8.240 nan 0.000 0.480 201 S N 1.815 117.520 115.700 0.008 0.000 2.381 201 S HA -0.220 4.250 4.470 0.000 0.000 0.230 201 S C 2.216 176.813 174.600 -0.004 0.000 1.052 201 S CA 1.188 59.388 58.200 -0.000 0.000 1.068 201 S CB -1.323 61.876 63.200 -0.001 0.000 0.918 201 S HN 1.261 nan 8.310 nan 0.000 0.448 202 A N 1.036 123.854 122.820 -0.004 0.000 2.235 202 A HA 0.252 4.572 4.320 0.000 0.000 0.208 202 A C 1.991 179.574 177.584 -0.002 0.000 1.172 202 A CA 0.290 52.327 52.037 0.000 0.000 0.786 202 A CB -0.303 18.697 19.000 0.001 0.000 0.804 202 A HN 0.637 nan 8.150 nan 0.000 0.479 203 R N -1.505 118.988 120.500 -0.011 0.000 2.508 203 R HA 0.409 4.749 4.340 0.000 0.000 0.300 203 R C -0.443 175.847 176.300 -0.016 0.000 0.970 203 R CA -0.004 56.086 56.100 -0.017 0.000 1.102 203 R CB 0.425 30.699 30.300 -0.043 0.000 1.246 203 R HN 0.416 nan 8.270 nan 0.000 0.539 204 M N 0.221 119.813 119.600 -0.014 0.000 2.602 204 M HA 0.600 5.080 4.480 0.000 0.000 0.312 204 M C -1.065 175.234 176.300 -0.002 0.000 1.181 204 M CA -0.858 54.434 55.300 -0.013 0.000 0.910 204 M CB 2.567 35.147 32.600 -0.035 0.000 1.723 204 M HN -0.045 nan 8.290 nan 0.000 0.459 205 A N 2.481 125.319 122.820 0.029 0.000 2.408 205 A HA 0.736 5.056 4.320 0.000 0.000 0.295 205 A C -1.849 175.768 177.584 0.055 0.000 1.040 205 A CA -0.586 51.449 52.037 -0.003 0.000 0.707 205 A CB 1.251 20.226 19.000 -0.041 0.000 1.235 205 A HN 0.736 nan 8.150 nan 0.000 0.418 206 L N 4.704 125.923 121.223 -0.006 0.000 2.262 206 L HA 0.603 4.943 4.340 0.000 0.000 0.288 206 L C -0.996 175.877 176.870 0.004 0.000 1.035 206 L CA -0.338 54.518 54.840 0.027 0.000 0.820 206 L CB 0.514 42.565 42.059 -0.013 0.000 1.204 206 L HN 0.537 nan 8.230 nan 0.000 0.424 207 I N 4.338 124.956 120.570 0.080 0.000 2.493 207 I HA 0.729 4.899 4.170 0.000 0.000 0.298 207 I C 0.607 176.776 176.117 0.086 0.000 0.998 207 I CA -0.594 60.730 61.300 0.040 0.000 1.137 207 I CB 1.184 39.179 38.000 -0.008 0.000 1.310 207 I HN 0.673 nan 8.210 nan 0.000 0.445 208 G N 4.995 113.840 108.800 0.074 0.000 2.667 208 G HA2 0.658 4.618 3.960 0.000 0.000 0.298 208 G HA3 0.658 4.618 3.960 0.000 0.000 0.298 208 G C -2.118 172.855 174.900 0.121 0.000 1.377 208 G CA -0.417 44.736 45.100 0.088 0.000 0.964 208 G HN 0.403 nan 8.290 nan 0.000 0.493 209 L N 1.307 122.594 121.223 0.107 0.000 2.409 209 L HA 0.740 5.080 4.340 0.000 0.000 0.272 209 L C 0.686 177.557 176.870 0.001 0.000 0.980 209 L CA 0.767 55.650 54.840 0.073 0.000 0.826 209 L CB 1.808 43.940 42.059 0.121 0.000 1.268 209 L HN 1.687 nan 8.230 nan 0.000 0.407 210 G N 3.182 111.947 108.800 -0.059 0.000 2.248 210 G HA2 -0.037 3.923 3.960 0.000 0.000 0.263 210 G HA3 -0.037 3.923 3.960 0.000 0.000 0.263 210 G C -0.538 174.332 174.900 -0.049 0.000 1.082 210 G CA 0.332 45.390 45.100 -0.070 0.000 0.863 210 G HN 1.157 nan 8.290 nan 0.000 0.495 211 V N -0.688 119.192 119.914 -0.056 0.000 3.120 211 V HA 0.854 4.974 4.120 0.000 0.000 0.303 211 V C 0.333 176.401 176.094 -0.043 0.000 1.238 211 V CA 0.247 62.527 62.300 -0.034 0.000 1.008 211 V CB 2.162 33.978 31.823 -0.012 0.000 1.064 211 V HN 1.631 nan 8.190 nan 0.000 0.434 212 S N 3.014 118.697 115.700 -0.028 0.000 2.565 212 S HA 0.281 4.750 4.470 0.000 0.000 0.274 212 S C 0.873 175.484 174.600 0.019 0.000 1.309 212 S CA 0.678 58.871 58.200 -0.010 0.000 1.043 212 S CB 0.947 64.148 63.200 0.001 0.000 0.939 212 S HN 1.054 nan 8.310 nan 0.000 0.504 213 H N 3.682 122.727 119.070 -0.042 0.000 2.387 213 H HA 0.072 4.628 4.556 0.000 0.000 0.299 213 H C -1.297 174.020 175.328 -0.019 0.000 1.099 213 H CA 2.160 58.190 56.048 -0.030 0.000 1.315 213 H CB -1.077 28.670 29.762 -0.025 0.000 1.380 213 H HN 0.549 nan 8.280 nan 0.000 0.513 214 P HA -0.179 nan 4.420 nan 0.000 0.215 214 P C 1.823 179.087 177.300 -0.060 0.000 1.157 214 P CA 2.114 65.202 63.100 -0.019 0.000 0.863 214 P CB -0.146 31.567 31.700 0.021 0.000 0.787 215 V N -2.532 117.356 119.914 -0.043 0.000 2.358 215 V HA -0.196 3.924 4.120 0.000 0.000 0.246 215 V C 2.174 178.233 176.094 -0.058 0.000 1.047 215 V CA 1.584 63.863 62.300 -0.035 0.000 1.035 215 V CB -1.876 29.937 31.823 -0.016 0.000 0.658 215 V HN -0.050 nan 8.190 nan 0.000 0.452 216 L N 0.722 121.885 121.223 -0.101 0.000 2.083 216 L HA -0.092 4.248 4.340 0.000 0.000 0.209 216 L C 2.649 179.420 176.870 -0.165 0.000 1.083 216 L CA 2.520 57.287 54.840 -0.121 0.000 0.752 216 L CB -0.884 41.087 42.059 -0.147 0.000 0.899 216 L HN 0.501 nan 8.230 nan 0.000 0.433 217 K N -1.204 119.043 120.400 -0.255 0.000 2.057 217 K HA -0.251 4.069 4.320 0.000 0.000 0.206 217 K C 2.185 178.719 176.600 -0.110 0.000 1.050 217 K CA 1.517 57.669 56.287 -0.224 0.000 0.935 217 K CB -0.081 32.272 32.500 -0.245 0.000 0.715 217 K HN 0.282 nan 8.250 nan 0.000 0.439 218 Q N 0.461 120.214 119.800 -0.078 0.000 2.230 218 Q HA -0.049 4.291 4.340 0.000 0.000 0.202 218 Q C 1.713 177.700 176.000 -0.021 0.000 0.963 218 Q CA 1.158 56.931 55.803 -0.050 0.000 0.866 218 Q CB 0.014 28.733 28.738 -0.032 0.000 0.931 218 Q HN 0.182 nan 8.270 nan 0.000 0.452 219 V N 0.340 120.268 119.914 0.024 0.000 2.307 219 V HA -0.204 3.916 4.120 0.000 0.000 0.245 219 V C 2.194 178.360 176.094 0.121 0.000 1.045 219 V CA 1.719 64.106 62.300 0.144 0.000 1.024 219 V CB -1.009 30.874 31.823 0.100 0.000 0.651 219 V HN 0.511 nan 8.190 nan 0.000 0.449 220 A N -0.678 122.154 122.820 0.020 0.000 1.902 220 A HA -0.248 4.072 4.320 0.000 0.000 0.217 220 A C 2.142 179.709 177.584 -0.028 0.000 1.181 220 A CA 1.938 53.974 52.037 -0.001 0.000 0.623 220 A CB -0.476 18.496 19.000 -0.047 0.000 0.818 220 A HN 0.609 nan 8.150 nan 0.000 0.443 221 E N -1.093 119.070 120.200 -0.061 0.000 2.077 221 E HA -0.240 4.110 4.350 0.000 0.000 0.193 221 E C 2.254 178.768 176.600 -0.145 0.000 0.989 221 E CA 1.555 57.904 56.400 -0.086 0.000 0.800 221 E CB -0.080 29.570 29.700 -0.084 0.000 0.746 221 E HN 0.779 nan 8.360 nan 0.000 0.452 222 Q N -0.974 118.682 119.800 -0.240 0.000 2.163 222 Q HA -0.054 4.286 4.340 0.000 0.000 0.198 222 Q C 1.027 176.641 176.000 -0.644 0.000 0.954 222 Q CA 1.076 56.572 55.803 -0.512 0.000 0.851 222 Q CB 0.258 28.525 28.738 -0.785 0.000 0.928 222 Q HN 0.201 nan 8.270 nan 0.000 0.459 223 F N -1.312 118.615 119.950 -0.039 0.000 2.724 223 F HA 0.260 4.787 4.527 0.000 0.000 0.306 223 F C 0.822 176.602 175.800 -0.033 0.000 1.100 223 F CA 0.049 58.026 58.000 -0.037 0.000 1.255 223 F CB 0.709 39.683 39.000 -0.044 0.000 1.072 223 F HN -0.058 nan 8.300 nan 0.000 0.589 224 L N 0.142 121.423 121.223 0.097 0.000 2.965 224 L HA 0.231 4.571 4.340 0.000 0.000 0.254 224 L C 0.594 177.471 176.870 0.012 0.000 1.220 224 L CA -0.052 54.819 54.840 0.052 0.000 1.023 224 L CB -0.172 41.908 42.059 0.035 0.000 1.355 224 L HN -0.058 nan 8.230 nan 0.000 0.545 225 N N 1.980 120.675 118.700 -0.007 0.000 3.111 225 N HA 0.099 4.839 4.740 0.000 0.000 0.302 225 N C 0.406 175.910 175.510 -0.010 0.000 1.317 225 N CA -0.149 52.887 53.050 -0.023 0.000 1.151 225 N CB -0.160 38.296 38.487 -0.051 0.000 1.456 225 N HN 0.404 nan 8.380 nan 0.000 0.547 226 I N -2.808 117.765 120.570 0.004 0.000 3.468 226 I HA 0.456 4.626 4.170 0.000 0.000 0.276 226 I C 0.716 176.834 176.117 0.002 0.000 1.182 226 I CA -0.843 60.462 61.300 0.009 0.000 0.881 226 I CB 0.643 38.658 38.000 0.024 0.000 1.609 226 I HN -0.079 nan 8.210 nan 0.000 0.780 227 R N -0.406 120.096 120.500 0.004 0.000 3.379 227 R HA 0.490 4.830 4.340 0.000 0.000 0.189 227 R C 0.623 176.921 176.300 -0.002 0.000 1.353 227 R CA -0.156 55.943 56.100 -0.002 0.000 0.804 227 R CB -0.543 29.754 30.300 -0.006 0.000 1.496 227 R HN 1.081 nan 8.270 nan 0.000 0.465 228 G N -0.150 108.644 108.800 -0.010 0.000 2.217 228 G HA2 -0.209 3.751 3.960 0.000 0.000 0.246 228 G HA3 -0.209 3.751 3.960 0.000 0.000 0.246 228 G C 0.756 175.642 174.900 -0.023 0.000 0.990 228 G CA 0.633 45.722 45.100 -0.018 0.000 0.627 228 G HN 1.060 nan 8.290 nan 0.000 0.522 229 G N 0.127 108.918 108.800 -0.014 0.000 2.634 229 G HA2 -0.295 3.665 3.960 0.000 0.000 0.309 229 G HA3 -0.295 3.665 3.960 0.000 0.000 0.309 229 G C 1.102 175.992 174.900 -0.017 0.000 1.265 229 G CA 0.896 45.989 45.100 -0.013 0.000 0.998 229 G HN 1.269 nan 8.290 nan 0.000 0.551 230 L N 2.749 123.961 121.223 -0.019 0.000 2.552 230 L HA 0.343 4.683 4.340 0.000 0.000 0.227 230 L C 2.121 178.961 176.870 -0.050 0.000 1.146 230 L CA 0.804 55.631 54.840 -0.023 0.000 0.858 230 L CB -1.242 40.812 42.059 -0.009 0.000 0.969 230 L HN 1.686 nan 8.230 nan 0.000 0.451 231 G N 0.576 109.338 108.800 -0.062 0.000 2.641 231 G HA2 -0.323 3.637 3.960 0.000 0.000 0.254 231 G HA3 -0.323 3.637 3.960 0.000 0.000 0.254 231 G C -0.581 174.246 174.900 -0.122 0.000 1.315 231 G CA -0.574 44.460 45.100 -0.110 0.000 0.907 231 G HN 0.005 nan 8.290 nan 0.000 0.572 232 L N 1.922 123.022 121.223 -0.206 0.000 2.288 232 L HA 0.498 4.838 4.340 0.000 0.000 0.283 232 L C 1.411 178.245 176.870 -0.060 0.000 1.072 232 L CA 0.586 55.339 54.840 -0.145 0.000 0.862 232 L CB 0.350 42.284 42.059 -0.208 0.000 1.245 232 L HN 0.942 nan 8.230 nan 0.000 0.432 233 S N 1.112 116.811 115.700 -0.001 0.000 2.596 233 S HA 0.648 5.118 4.470 0.000 0.000 0.260 233 S C 0.584 175.313 174.600 0.215 0.000 1.336 233 S CA -0.345 57.908 58.200 0.089 0.000 0.993 233 S CB 0.997 64.252 63.200 0.093 0.000 0.923 233 S HN 0.578 nan 8.310 nan 0.000 0.567 234 G N -0.516 108.515 108.800 0.385 0.000 2.583 234 G HA2 0.649 4.609 3.960 0.000 0.000 0.280 234 G HA3 0.649 4.609 3.960 0.000 0.000 0.280 234 G C -0.238 174.747 174.900 0.141 0.000 1.376 234 G CA -0.730 44.538 45.100 0.280 0.000 1.043 234 G HN 1.119 nan 8.290 nan 0.000 0.538 235 A N -0.702 122.167 122.820 0.081 0.000 2.304 235 A HA 0.596 4.916 4.320 0.000 0.000 0.271 235 A C 0.320 177.924 177.584 0.033 0.000 1.091 235 A CA -0.406 51.663 52.037 0.054 0.000 0.812 235 A CB 0.407 19.431 19.000 0.040 0.000 1.056 235 A HN 0.555 nan 8.150 nan 0.000 0.489 236 K N 0.772 121.195 120.400 0.039 0.000 2.295 236 K HA 0.405 4.725 4.320 0.000 0.000 0.270 236 K C 0.250 176.862 176.600 0.021 0.000 1.011 236 K CA 0.258 56.565 56.287 0.034 0.000 0.953 236 K CB 0.729 33.262 32.500 0.055 0.000 0.956 236 K HN 0.745 nan 8.250 nan 0.000 0.477 237 A N 3.361 126.175 122.820 -0.010 0.000 2.454 237 A HA 0.079 4.399 4.320 0.000 0.000 0.260 237 A C -0.413 177.263 177.584 0.153 0.000 1.106 237 A CA -0.079 51.943 52.037 -0.025 0.000 0.780 237 A CB 0.168 19.021 19.000 -0.245 0.000 1.044 237 A HN 0.424 nan 8.150 nan 0.000 0.498 238 K N 2.997 123.523 120.400 0.209 0.000 2.334 238 K HA 0.158 4.478 4.320 0.000 0.000 0.265 238 K C -0.925 175.895 176.600 0.366 0.000 1.039 238 K CA -0.247 56.188 56.287 0.246 0.000 0.920 238 K CB 0.959 33.541 32.500 0.135 0.000 1.160 238 K HN 0.708 nan 8.250 nan 0.000 0.451 239 Y N 2.625 123.082 120.300 0.262 0.000 2.511 239 Y HA -0.102 4.448 4.550 0.000 0.000 0.332 239 Y C 1.557 177.517 175.900 0.099 0.000 1.177 239 Y CA 1.020 59.167 58.100 0.077 0.000 1.422 239 Y CB 0.473 38.930 38.460 -0.005 0.000 1.271 239 Y HN 0.714 nan 8.280 nan 0.000 0.550 240 H N 3.286 121.973 119.070 -0.638 0.000 2.176 240 H HA 0.335 4.891 4.556 -0.000 0.000 0.228 240 H C 0.478 175.521 175.328 -0.476 0.000 0.879 240 H CA 0.599 56.427 56.048 -0.366 0.000 1.027 240 H CB 0.838 30.457 29.762 -0.237 0.000 1.356 240 H HN 0.908 nan 8.280 nan 0.000 0.425 241 G N -0.019 108.197 108.800 -0.973 0.000 2.692 241 G HA2 0.297 4.257 3.960 0.000 0.000 0.686 241 G HA3 0.297 4.257 3.960 0.000 0.000 0.686 241 G C -0.097 174.419 174.900 -0.639 0.000 1.243 241 G CA -0.321 44.356 45.100 -0.704 0.000 0.782 241 G HN 1.043 nan 8.290 nan 0.000 0.625 242 G N 0.081 108.656 108.800 -0.375 0.000 2.343 242 G HA2 0.782 4.742 3.960 0.000 0.000 0.289 242 G HA3 0.782 4.742 3.960 0.000 0.000 0.289 242 G C -0.919 173.885 174.900 -0.160 0.000 1.295 242 G CA 0.722 45.664 45.100 -0.262 0.000 0.869 242 G HN 2.135 nan 8.290 nan 0.000 0.522 243 E N -1.144 119.000 120.200 -0.093 0.000 2.343 243 E HA 0.683 5.033 4.350 0.000 0.000 0.278 243 E C -1.602 174.974 176.600 -0.041 0.000 0.910 243 E CA -1.029 55.327 56.400 -0.073 0.000 0.757 243 E CB 2.547 32.217 29.700 -0.050 0.000 1.218 243 E HN 0.525 nan 8.360 nan 0.000 0.435 244 I N 2.158 122.696 120.570 -0.055 0.000 2.447 244 I HA 0.403 4.573 4.170 0.000 0.000 0.287 244 I C -0.537 175.545 176.117 -0.058 0.000 1.023 244 I CA -0.816 60.464 61.300 -0.033 0.000 1.083 244 I CB 1.827 39.818 38.000 -0.016 0.000 1.245 244 I HN 0.376 nan 8.210 nan 0.000 0.434 245 R N 4.764 125.232 120.500 -0.053 0.000 2.343 245 R HA 0.365 4.705 4.340 0.000 0.000 0.320 245 R C -0.606 175.661 176.300 -0.055 0.000 0.956 245 R CA -0.618 55.430 56.100 -0.088 0.000 0.836 245 R CB 2.081 32.302 30.300 -0.132 0.000 1.151 245 R HN 0.515 nan 8.270 nan 0.000 0.450 246 E N 3.227 123.389 120.200 -0.063 0.000 2.121 246 E HA 0.051 4.401 4.350 0.000 0.000 0.255 246 E C -1.069 175.488 176.600 -0.070 0.000 0.906 246 E CA -0.752 55.618 56.400 -0.051 0.000 0.745 246 E CB 1.070 30.745 29.700 -0.041 0.000 1.155 246 E HN 0.303 nan 8.360 nan 0.000 0.424 247 Q N 3.317 123.083 119.800 -0.057 0.000 2.293 247 Q HA 0.107 4.447 4.340 0.000 0.000 0.263 247 Q C -0.395 175.569 176.000 -0.061 0.000 1.002 247 Q CA 0.427 56.195 55.803 -0.058 0.000 0.910 247 Q CB 0.549 29.263 28.738 -0.040 0.000 1.185 247 Q HN 0.656 nan 8.270 nan 0.000 0.401 248 N N 2.237 120.893 118.700 -0.073 0.000 2.081 248 N HA 0.160 4.900 4.740 0.000 0.000 0.230 248 N C 0.542 176.014 175.510 -0.064 0.000 1.351 248 N CA 0.143 53.148 53.050 -0.076 0.000 0.840 248 N CB 0.296 38.712 38.487 -0.118 0.000 1.189 248 N HN 0.711 nan 8.380 nan 0.000 0.503 249 G N 0.096 108.862 108.800 -0.056 0.000 2.212 249 G HA2 -0.307 3.653 3.960 0.000 0.000 0.267 249 G HA3 -0.307 3.653 3.960 0.000 0.000 0.267 249 G C -0.738 174.137 174.900 -0.042 0.000 1.002 249 G CA 0.589 45.660 45.100 -0.048 0.000 0.729 249 G HN 0.492 nan 8.290 nan 0.000 0.517 250 D N 0.104 120.477 120.400 -0.045 0.000 2.399 250 D HA 0.391 5.031 4.640 0.000 0.000 0.241 250 D C 1.908 178.201 176.300 -0.012 0.000 1.133 250 D CA 0.471 54.454 54.000 -0.029 0.000 0.890 250 D CB 1.067 41.848 40.800 -0.032 0.000 1.201 250 D HN 0.304 nan 8.370 nan 0.000 0.432 251 S N 1.473 117.172 115.700 -0.002 0.000 2.420 251 S HA -0.145 4.325 4.470 0.000 0.000 0.237 251 S C 0.948 175.560 174.600 0.019 0.000 1.023 251 S CA 0.737 58.939 58.200 0.004 0.000 0.991 251 S CB -0.189 63.017 63.200 0.010 0.000 0.792 251 S HN 0.397 nan 8.310 nan 0.000 0.488 252 L N 1.467 122.717 121.223 0.045 0.000 2.334 252 L HA 0.605 4.945 4.340 0.000 0.000 0.276 252 L C -0.778 176.155 176.870 0.106 0.000 1.014 252 L CA -0.940 53.947 54.840 0.077 0.000 0.815 252 L CB 1.985 44.116 42.059 0.121 0.000 1.268 252 L HN -0.041 nan 8.230 nan 0.000 0.428 253 V N 1.946 121.901 119.914 0.069 0.000 2.427 253 V HA 0.340 4.460 4.120 0.000 0.000 0.286 253 V C -0.249 175.879 176.094 0.057 0.000 1.034 253 V CA -0.486 61.846 62.300 0.054 0.000 0.893 253 V CB 1.355 33.171 31.823 -0.011 0.000 0.982 253 V HN 0.593 nan 8.190 nan 0.000 0.452 254 H N 3.168 122.192 119.070 -0.077 0.000 2.459 254 H HA 0.774 5.330 4.556 0.000 0.000 0.332 254 H C -0.181 174.967 175.328 -0.301 0.000 1.094 254 H CA -0.284 55.683 56.048 -0.135 0.000 1.224 254 H CB 2.128 31.882 29.762 -0.013 0.000 1.449 254 H HN 0.782 nan 8.280 nan 0.000 0.484 255 A N 2.057 124.607 122.820 -0.450 0.000 2.574 255 A HA 0.730 5.050 4.320 0.000 0.000 0.297 255 A C -1.483 175.705 177.584 -0.659 0.000 1.062 255 A CA -0.389 51.387 52.037 -0.435 0.000 0.686 255 A CB 1.745 20.596 19.000 -0.249 0.000 1.285 255 A HN 0.720 nan 8.150 nan 0.000 0.403 256 A N 0.688 123.195 122.820 -0.522 0.000 2.422 256 A HA 0.757 5.077 4.320 0.000 0.000 0.302 256 A C -1.588 175.726 177.584 -0.450 0.000 1.041 256 A CA -0.395 51.335 52.037 -0.511 0.000 0.708 256 A CB 1.354 20.061 19.000 -0.488 0.000 1.257 256 A HN 1.932 nan 8.150 nan 0.000 0.414 257 L N 3.529 124.406 121.223 -0.575 0.000 2.376 257 L HA 0.811 5.151 4.340 0.000 0.000 0.275 257 L C -0.564 176.125 176.870 -0.301 0.000 0.987 257 L CA -0.355 54.191 54.840 -0.491 0.000 0.828 257 L CB 1.827 43.475 42.059 -0.684 0.000 1.249 257 L HN 1.133 nan 8.230 nan 0.000 0.409 258 V N 1.824 121.691 119.914 -0.078 0.000 3.167 258 V HA 1.099 5.219 4.120 0.000 0.000 0.310 258 V C -0.692 175.528 176.094 0.209 0.000 1.207 258 V CA -0.142 62.260 62.300 0.170 0.000 1.059 258 V CB 1.330 33.202 31.823 0.082 0.000 1.079 258 V HN 1.142 nan 8.190 nan 0.000 0.446 259 A N 0.115 123.113 122.820 0.297 0.000 2.566 259 A HA 0.765 5.085 4.320 0.000 0.000 0.292 259 A C -0.646 176.903 177.584 -0.058 0.000 1.112 259 A CA -0.574 51.522 52.037 0.099 0.000 0.707 259 A CB 1.608 20.653 19.000 0.074 0.000 1.302 259 A HN 1.140 nan 8.150 nan 0.000 0.409 260 E N 0.507 120.386 120.200 -0.535 0.000 2.376 260 E HA 0.353 4.703 4.350 0.000 0.000 0.266 260 E C 0.783 177.225 176.600 -0.264 0.000 1.009 260 E CA 0.436 56.499 56.400 -0.563 0.000 0.902 260 E CB 0.551 29.666 29.700 -0.975 0.000 0.972 260 E HN 0.716 nan 8.360 nan 0.000 0.439 261 S N 3.639 119.165 115.700 -0.290 0.000 3.096 261 S HA 0.704 5.174 4.470 0.000 0.000 0.169 261 S C 0.054 174.450 174.600 -0.340 0.000 0.736 261 S CA -0.099 57.708 58.200 -0.655 0.000 0.976 261 S CB 0.297 62.681 63.200 -1.359 0.000 0.705 261 S HN 0.610 nan 8.310 nan 0.000 0.666 262 A N 0.052 122.695 122.820 -0.295 0.000 2.572 262 A HA 0.836 5.156 4.320 0.000 0.000 0.295 262 A C -0.459 177.126 177.584 0.002 0.000 1.072 262 A CA -0.503 51.511 52.037 -0.038 0.000 0.691 262 A CB 0.887 19.946 19.000 0.098 0.000 1.291 262 A HN 1.303 nan 8.150 nan 0.000 0.404 263 A N 0.995 123.844 122.820 0.048 0.000 2.462 263 A HA 0.500 4.820 4.320 0.000 0.000 0.243 263 A C 0.368 177.978 177.584 0.043 0.000 1.076 263 A CA -0.073 52.002 52.037 0.064 0.000 0.773 263 A CB -0.156 18.890 19.000 0.077 0.000 1.010 263 A HN 1.154 nan 8.150 nan 0.000 0.493 264 I N 1.605 122.195 120.570 0.034 0.000 2.710 264 I HA 0.325 4.495 4.170 0.000 0.000 0.286 264 I C 1.389 177.520 176.117 0.024 0.000 1.181 264 I CA 1.930 63.239 61.300 0.015 0.000 1.430 264 I CB 0.594 38.597 38.000 0.005 0.000 1.367 264 I HN 1.120 nan 8.210 nan 0.000 0.577 265 G N 3.901 112.707 108.800 0.009 0.000 2.232 265 G HA2 -0.247 3.713 3.960 0.000 0.000 0.226 265 G HA3 -0.247 3.713 3.960 0.000 0.000 0.226 265 G C 0.186 175.088 174.900 0.005 0.000 0.996 265 G CA 0.124 45.226 45.100 0.004 0.000 0.626 265 G HN 0.912 nan 8.290 nan 0.000 0.509 266 S N 0.179 115.890 115.700 0.018 0.000 2.672 266 S HA 0.800 5.270 4.470 0.000 0.000 0.276 266 S C 1.556 176.165 174.600 0.016 0.000 1.207 266 S CA 0.459 58.672 58.200 0.022 0.000 1.002 266 S CB 1.922 65.146 63.200 0.041 0.000 0.998 266 S HN 1.598 nan 8.310 nan 0.000 0.542 267 A N 0.391 123.217 122.820 0.008 0.000 1.969 267 A HA -0.049 4.271 4.320 0.000 0.000 0.218 267 A C 2.016 179.605 177.584 0.008 0.000 1.169 267 A CA 1.489 53.524 52.037 -0.004 0.000 0.635 267 A CB -1.024 17.968 19.000 -0.013 0.000 0.810 267 A HN 1.003 nan 8.150 nan 0.000 0.445 268 E N 0.009 120.232 120.200 0.038 0.000 2.204 268 E HA -0.094 4.256 4.350 0.000 0.000 0.195 268 E C 1.974 178.677 176.600 0.171 0.000 0.990 268 E CA 0.830 57.275 56.400 0.075 0.000 0.821 268 E CB -0.212 29.562 29.700 0.123 0.000 0.750 268 E HN 0.560 nan 8.360 nan 0.000 0.477 269 A N 1.236 124.140 122.820 0.140 0.000 1.969 269 A HA -0.176 4.144 4.320 0.000 0.000 0.218 269 A C 1.894 179.547 177.584 0.115 0.000 1.169 269 A CA 1.305 53.434 52.037 0.153 0.000 0.635 269 A CB -0.434 18.606 19.000 0.066 0.000 0.810 269 A HN 0.265 nan 8.150 nan 0.000 0.445 270 N N 0.529 119.253 118.700 0.039 0.000 2.188 270 N HA -0.099 4.641 4.740 0.000 0.000 0.184 270 N C 1.925 177.423 175.510 -0.020 0.000 1.018 270 N CA 1.389 54.437 53.050 -0.005 0.000 0.858 270 N CB -0.459 38.004 38.487 -0.040 0.000 0.989 270 N HN 0.476 nan 8.380 nan 0.000 0.426 271 A N 0.738 123.523 122.820 -0.058 0.000 1.877 271 A HA -0.089 4.231 4.320 0.000 0.000 0.216 271 A C 1.980 179.423 177.584 -0.236 0.000 1.186 271 A CA 1.012 52.945 52.037 -0.173 0.000 0.620 271 A CB -0.885 17.951 19.000 -0.274 0.000 0.822 271 A HN 0.149 nan 8.150 nan 0.000 0.443 272 F N 0.771 120.625 119.950 -0.159 0.000 2.171 272 F HA -0.128 4.399 4.527 0.000 0.000 0.300 272 F C 2.807 178.553 175.800 -0.090 0.000 1.090 272 F CA 1.617 59.450 58.000 -0.279 0.000 1.293 272 F CB -0.361 38.488 39.000 -0.251 0.000 1.013 272 F HN 0.139 nan 8.300 nan 0.000 0.486 273 S N -0.480 115.321 115.700 0.168 0.000 2.383 273 S HA -0.124 4.346 4.470 0.000 0.000 0.227 273 S C 2.281 177.018 174.600 0.228 0.000 1.026 273 S CA 1.112 59.433 58.200 0.203 0.000 0.981 273 S CB -0.427 62.840 63.200 0.112 0.000 0.818 273 S HN 0.134 nan 8.310 nan 0.000 0.472 274 V N 1.672 121.638 119.914 0.088 0.000 2.453 274 V HA -0.064 4.056 4.120 0.000 0.000 0.247 274 V C 2.177 178.332 176.094 0.102 0.000 1.048 274 V CA 1.179 63.522 62.300 0.071 0.000 1.049 274 V CB -0.530 31.284 31.823 -0.016 0.000 0.672 274 V HN 0.371 nan 8.190 nan 0.000 0.457 275 L N 0.335 121.568 121.223 0.016 0.000 2.083 275 L HA -0.208 4.132 4.340 0.000 0.000 0.209 275 L C 2.470 179.465 176.870 0.209 0.000 1.083 275 L CA 2.266 57.111 54.840 0.007 0.000 0.752 275 L CB -0.862 41.046 42.059 -0.252 0.000 0.899 275 L HN 0.440 nan 8.230 nan 0.000 0.433 276 Q N -1.231 118.772 119.800 0.339 0.000 2.096 276 Q HA -0.282 4.058 4.340 0.000 0.000 0.204 276 Q C 1.885 177.960 176.000 0.125 0.000 0.982 276 Q CA 2.217 58.240 55.803 0.367 0.000 0.850 276 Q CB -0.194 28.745 28.738 0.335 0.000 0.901 276 Q HN 0.689 nan 8.270 nan 0.000 0.422 277 H N -1.132 118.025 119.070 0.145 0.000 2.547 277 H HA 0.038 4.594 4.556 -0.000 0.000 0.272 277 H C 1.750 177.135 175.328 0.095 0.000 0.989 277 H CA 0.812 56.931 56.048 0.119 0.000 1.214 277 H CB 0.445 30.267 29.762 0.100 0.000 1.389 277 H HN 0.062 nan 8.280 nan 0.000 0.577 278 V N 0.187 120.205 119.914 0.172 0.000 2.346 278 V HA -0.165 3.955 4.120 0.000 0.000 0.244 278 V C 2.176 178.330 176.094 0.100 0.000 1.037 278 V CA 1.322 63.688 62.300 0.110 0.000 1.029 278 V CB -0.329 31.540 31.823 0.076 0.000 0.663 278 V HN 0.360 nan 8.190 nan 0.000 0.454 279 L N 0.117 121.411 121.223 0.118 0.000 2.141 279 L HA 0.209 4.549 4.340 0.000 0.000 0.209 279 L C 1.063 177.992 176.870 0.098 0.000 1.094 279 L CA 1.198 56.101 54.840 0.106 0.000 0.763 279 L CB -0.538 41.603 42.059 0.138 0.000 0.908 279 L HN 0.559 nan 8.230 nan 0.000 0.437 280 G N -0.946 107.904 108.800 0.084 0.000 3.313 280 G HA2 0.196 4.156 3.960 0.000 0.000 0.659 280 G HA3 0.196 4.156 3.960 0.000 0.000 0.659 280 G C -0.382 174.526 174.900 0.014 0.000 1.286 280 G CA -0.451 44.693 45.100 0.075 0.000 1.077 280 G HN 0.164 nan 8.290 nan 0.000 0.551 281 A N 0.811 123.591 122.820 -0.067 0.000 2.606 281 A HA 0.936 5.256 4.320 0.000 0.000 0.290 281 A C 1.211 178.733 177.584 -0.104 0.000 1.174 281 A CA 0.935 52.875 52.037 -0.161 0.000 0.958 281 A CB 0.030 18.720 19.000 -0.517 0.000 1.194 281 A HN 2.804 nan 8.150 nan 0.000 0.526 282 G N 0.279 109.049 108.800 -0.051 0.000 2.317 282 G HA2 0.306 4.266 3.960 0.000 0.000 0.445 282 G HA3 0.306 4.266 3.960 0.000 0.000 0.445 282 G C -3.387 171.446 174.900 -0.112 0.000 1.486 282 G CA -0.457 44.594 45.100 -0.082 0.000 0.991 282 G HN 0.179 nan 8.290 nan 0.000 0.660 283 P HA 0.368 nan 4.420 nan 0.000 0.274 283 P C -0.250 176.942 177.300 -0.180 0.000 1.231 283 P CA -0.163 62.874 63.100 -0.106 0.000 0.790 283 P CB 1.026 32.667 31.700 -0.099 0.000 0.951 284 H N -0.538 118.505 119.070 -0.045 0.000 3.058 284 H HA 0.237 4.793 4.556 0.000 0.000 0.258 284 H C -0.081 175.232 175.328 -0.026 0.000 1.015 284 H CA 0.262 56.297 56.048 -0.021 0.000 1.210 284 H CB 1.342 31.098 29.762 -0.010 0.000 1.481 284 H HN 0.097 nan 8.280 nan 0.000 0.492 285 V N 2.081 122.035 119.914 0.067 0.000 2.577 285 V HA 0.115 4.235 4.120 0.000 0.000 0.303 285 V C 0.153 176.241 176.094 -0.011 0.000 1.042 285 V CA -1.164 61.149 62.300 0.023 0.000 0.872 285 V CB 2.841 34.673 31.823 0.015 0.000 0.998 285 V HN 0.078 nan 8.190 nan 0.000 0.423 286 K N 4.377 124.771 120.400 -0.011 0.000 2.430 286 K HA 0.120 4.440 4.320 0.000 0.000 0.280 286 K C 0.700 177.286 176.600 -0.024 0.000 1.063 286 K CA 0.356 56.632 56.287 -0.019 0.000 1.071 286 K CB -0.095 32.398 32.500 -0.012 0.000 0.899 286 K HN 0.668 nan 8.250 nan 0.000 0.473 287 R N 0.905 121.383 120.500 -0.035 0.000 3.878 287 R HA -0.165 4.175 4.340 0.000 0.000 0.330 287 R C 0.556 176.828 176.300 -0.046 0.000 1.186 287 R CA 0.547 56.625 56.100 -0.038 0.000 0.885 287 R CB -2.231 28.056 30.300 -0.023 0.000 1.377 287 R HN 0.852 nan 8.270 nan 0.000 0.523 288 G N 0.134 108.898 108.800 -0.059 0.000 2.651 288 G HA2 0.233 4.193 3.960 0.000 0.000 0.260 288 G HA3 0.233 4.193 3.960 0.000 0.000 0.260 288 G C 0.810 175.645 174.900 -0.108 0.000 1.216 288 G CA 0.107 45.168 45.100 -0.064 0.000 0.913 288 G HN 0.258 nan 8.290 nan 0.000 0.535 289 S N -0.870 114.779 115.700 -0.085 0.000 2.556 289 S HA 0.026 4.496 4.470 0.000 0.000 0.216 289 S C 0.760 175.251 174.600 -0.182 0.000 0.970 289 S CA 0.197 58.347 58.200 -0.082 0.000 0.912 289 S CB -0.243 62.967 63.200 0.018 0.000 0.790 289 S HN 0.668 nan 8.310 nan 0.000 0.504 290 N N 1.200 119.771 118.700 -0.216 0.000 2.725 290 N HA -0.195 4.545 4.740 0.000 0.000 0.251 290 N C 0.928 176.403 175.510 -0.058 0.000 1.031 290 N CA 0.723 53.648 53.050 -0.208 0.000 0.720 290 N CB -1.582 36.591 38.487 -0.523 0.000 0.930 290 N HN 0.656 nan 8.380 nan 0.000 0.543 291 A N 0.272 123.080 122.820 -0.021 0.000 1.997 291 A HA -0.208 4.112 4.320 0.000 0.000 0.221 291 A C 2.106 179.703 177.584 0.022 0.000 1.172 291 A CA 2.354 54.401 52.037 0.017 0.000 0.645 291 A CB -0.433 18.570 19.000 0.006 0.000 0.813 291 A HN 0.672 nan 8.150 nan 0.000 0.454 292 T N -3.411 111.143 114.554 0.001 0.000 3.145 292 T HA 0.321 4.671 4.350 0.000 0.000 0.255 292 T C 0.502 175.222 174.700 0.032 0.000 1.039 292 T CA 0.517 62.621 62.100 0.005 0.000 0.928 292 T CB -0.236 68.614 68.868 -0.030 0.000 1.029 292 T HN 0.268 nan 8.240 nan 0.000 0.554 293 S N 1.029 116.764 115.700 0.058 0.000 2.411 293 S HA 0.379 4.849 4.470 0.000 0.000 0.294 293 S C 1.439 176.114 174.600 0.125 0.000 1.115 293 S CA -0.330 57.929 58.200 0.098 0.000 1.071 293 S CB 0.960 64.229 63.200 0.114 0.000 0.967 293 S HN 0.392 nan 8.310 nan 0.000 0.488 294 S N 4.774 120.530 115.700 0.093 0.000 2.359 294 S HA -0.072 4.398 4.470 0.000 0.000 0.224 294 S C 1.741 176.382 174.600 0.068 0.000 1.035 294 S CA 1.308 59.551 58.200 0.072 0.000 1.018 294 S CB -0.491 62.741 63.200 0.054 0.000 0.876 294 S HN 0.812 nan 8.310 nan 0.000 0.448 295 L N -0.592 120.674 121.223 0.073 0.000 2.056 295 L HA -0.053 4.287 4.340 0.000 0.000 0.207 295 L C 2.391 179.302 176.870 0.069 0.000 1.078 295 L CA 1.672 56.523 54.840 0.018 0.000 0.749 295 L CB -0.624 41.430 42.059 -0.008 0.000 0.901 295 L HN 0.410 nan 8.230 nan 0.000 0.433 296 Y N 0.628 120.973 120.300 0.075 0.000 2.145 296 Y HA -0.281 4.269 4.550 -0.000 0.000 0.286 296 Y C 2.836 178.838 175.900 0.170 0.000 1.145 296 Y CA 1.553 59.763 58.100 0.183 0.000 1.148 296 Y CB 0.048 38.602 38.460 0.157 0.000 0.981 296 Y HN 0.162 nan 8.280 nan 0.000 0.507 297 Q N -0.329 119.639 119.800 0.280 0.000 2.167 297 Q HA -0.114 4.226 4.340 0.000 0.000 0.202 297 Q C 2.443 178.478 176.000 0.059 0.000 0.970 297 Q CA 1.214 57.124 55.803 0.178 0.000 0.855 297 Q CB -0.687 28.132 28.738 0.135 0.000 0.911 297 Q HN 0.603 nan 8.270 nan 0.000 0.438 298 A N 0.099 122.923 122.820 0.007 0.000 1.897 298 A HA -0.084 4.236 4.320 0.000 0.000 0.215 298 A C 2.402 179.904 177.584 -0.136 0.000 1.181 298 A CA 1.296 53.299 52.037 -0.057 0.000 0.620 298 A CB -0.472 18.486 19.000 -0.071 0.000 0.821 298 A HN 0.197 nan 8.150 nan 0.000 0.443 299 V N -0.075 119.695 119.914 -0.240 0.000 2.323 299 V HA -0.193 3.927 4.120 0.000 0.000 0.244 299 V C 3.055 178.890 176.094 -0.433 0.000 1.041 299 V CA 1.724 63.727 62.300 -0.495 0.000 1.025 299 V CB -1.276 29.968 31.823 -0.966 0.000 0.656 299 V HN 0.588 nan 8.190 nan 0.000 0.451 300 A N 0.485 123.204 122.820 -0.169 0.000 1.948 300 A HA -0.295 4.025 4.320 0.000 0.000 0.220 300 A C 2.463 180.061 177.584 0.024 0.000 1.177 300 A CA 2.905 54.997 52.037 0.091 0.000 0.636 300 A CB -0.770 18.353 19.000 0.205 0.000 0.815 300 A HN 0.558 nan 8.150 nan 0.000 0.449 301 K N -0.868 119.523 120.400 -0.015 0.000 2.097 301 K HA 0.066 4.386 4.320 0.000 0.000 0.206 301 K C 1.500 178.078 176.600 -0.036 0.000 1.049 301 K CA 1.621 57.901 56.287 -0.013 0.000 0.933 301 K CB -1.243 31.247 32.500 -0.018 0.000 0.717 301 K HN 0.956 nan 8.250 nan 0.000 0.442 302 G N -0.546 108.204 108.800 -0.083 0.000 4.699 302 G HA2 0.586 4.546 3.960 0.000 0.000 0.308 302 G HA3 0.586 4.546 3.960 0.000 0.000 0.308 302 G C -0.301 174.527 174.900 -0.121 0.000 1.399 302 G CA 0.537 45.584 45.100 -0.089 0.000 1.221 302 G HN 1.454 nan 8.290 nan 0.000 0.596 303 V N -2.005 117.864 119.914 -0.074 0.000 2.700 303 V HA 0.539 4.659 4.120 0.000 0.000 0.246 303 V C -0.319 175.819 176.094 0.073 0.000 1.817 303 V CA 0.151 62.422 62.300 -0.049 0.000 0.832 303 V CB -0.286 nan 31.823 nan 0.000 1.340 303 V HN 0.987 nan 8.190 nan 0.000 0.479 304 H N 1.265 120.387 119.070 0.087 0.000 3.233 304 H HA 1.055 5.611 4.556 0.000 0.000 0.263 304 H C 0.516 175.907 175.328 0.104 0.000 1.168 304 H CA 2.429 58.540 56.048 0.106 0.000 1.159 304 H CB 0.667 nan 29.762 nan 0.000 1.593 304 H HN 2.754 nan 8.280 nan 0.000 0.580 305 Q N 0.014 119.879 119.800 0.109 0.000 0.000 305 Q HA 0.527 4.867 4.340 0.000 0.000 0.000 305 Q C -2.396 173.793 176.000 0.315 0.000 0.000 305 Q CA -0.463 nan 55.803 nan 0.000 0.000 305 Q CB -1.508 nan 28.738 nan 0.000 0.000 305 Q HN 0.490 nan 8.270 nan 0.000 0.000 306 P HA 0.591 5.011 4.420 0.000 0.000 0.257 306 P C -0.891 176.481 177.300 0.120 0.000 1.189 306 P CA 0.467 63.592 63.100 0.042 0.000 0.780 306 P CB -0.952 30.770 31.700 0.037 0.000 0.772 307 F N -0.677 119.257 119.950 -0.026 0.000 2.877 307 F HA 0.715 5.242 4.527 0.000 0.000 0.319 307 F C -1.732 174.060 175.800 -0.013 0.000 1.174 307 F CA -1.396 56.577 58.000 -0.046 0.000 0.903 307 F CB 1.493 40.431 39.000 -0.103 0.000 1.357 307 F HN 0.120 nan 8.300 nan 0.000 0.472 308 D N 0.400 120.944 120.400 0.241 0.000 2.736 308 D HA 0.624 5.264 4.640 0.000 0.000 0.223 308 D C -1.991 174.538 176.300 0.382 0.000 1.231 308 D CA -0.303 53.835 54.000 0.230 0.000 0.818 308 D CB 2.670 43.553 40.800 0.139 0.000 1.587 308 D HN 0.874 nan 8.370 nan 0.000 0.463 309 V N 1.602 121.759 119.914 0.405 0.000 3.012 309 V HA 0.890 5.010 4.120 0.000 0.000 0.307 309 V C -1.716 174.560 176.094 0.302 0.000 1.166 309 V CA -0.107 62.384 62.300 0.319 0.000 0.974 309 V CB 2.029 33.969 31.823 0.196 0.000 1.040 309 V HN 0.636 nan 8.190 nan 0.000 0.428 310 S N 4.057 119.919 115.700 0.269 0.000 2.542 310 S HA 0.802 5.272 4.470 0.000 0.000 0.276 310 S C -0.512 174.213 174.600 0.209 0.000 1.148 310 S CA 0.081 58.404 58.200 0.204 0.000 0.886 310 S CB 1.558 64.850 63.200 0.153 0.000 1.109 310 S HN 2.148 nan 8.310 nan 0.000 0.458 311 A N 3.049 125.940 122.820 0.118 0.000 2.462 311 A HA 0.620 4.940 4.320 0.000 0.000 0.243 311 A C -0.618 176.987 177.584 0.035 0.000 1.076 311 A CA -0.086 51.975 52.037 0.041 0.000 0.773 311 A CB -0.174 18.846 19.000 0.033 0.000 1.010 311 A HN 1.057 nan 8.150 nan 0.000 0.493 312 F N 2.234 122.032 119.950 -0.253 0.000 2.482 312 F HA 0.594 5.121 4.527 -0.000 0.000 0.331 312 F C -0.332 175.323 175.800 -0.241 0.000 1.115 312 F CA -0.689 57.209 58.000 -0.169 0.000 0.955 312 F CB 1.645 40.596 39.000 -0.083 0.000 1.136 312 F HN 0.600 nan 8.300 nan 0.000 0.452 313 N N 4.252 122.560 118.700 -0.654 0.000 2.500 313 N HA 0.676 5.416 4.740 0.000 0.000 0.291 313 N C -1.932 173.268 175.510 -0.516 0.000 1.092 313 N CA -0.337 52.520 53.050 -0.321 0.000 0.890 313 N CB 1.868 40.387 38.487 0.053 0.000 1.466 313 N HN 0.778 nan 8.380 nan 0.000 0.507 314 A N 2.220 124.816 122.820 -0.374 0.000 2.335 314 A HA 0.679 4.999 4.320 0.000 0.000 0.304 314 A C -0.907 176.445 177.584 -0.387 0.000 1.118 314 A CA -0.631 51.178 52.037 -0.379 0.000 0.757 314 A CB 1.191 20.126 19.000 -0.109 0.000 1.188 314 A HN 0.449 nan 8.150 nan 0.000 0.460 315 S N 1.824 117.227 115.700 -0.495 0.000 2.519 315 S HA 0.768 5.238 4.470 0.000 0.000 0.309 315 S C -1.180 173.131 174.600 -0.482 0.000 1.100 315 S CA -0.258 57.730 58.200 -0.352 0.000 1.059 315 S CB 0.196 63.307 63.200 -0.148 0.000 1.008 315 S HN 0.483 nan 8.310 nan 0.000 0.478 316 Y N 1.278 121.617 120.300 0.064 0.000 2.675 316 Y HA 0.365 4.915 4.550 -0.000 0.000 0.328 316 Y C 1.968 177.892 175.900 0.039 0.000 1.092 316 Y CA -0.530 57.598 58.100 0.046 0.000 1.190 316 Y CB 0.661 39.139 38.460 0.029 0.000 1.350 316 Y HN 0.679 nan 8.280 nan 0.000 0.525 317 S N -0.335 115.499 115.700 0.223 0.000 2.382 317 S HA -0.176 4.294 4.470 0.000 0.000 0.228 317 S C 0.670 175.339 174.600 0.115 0.000 1.027 317 S CA 1.866 60.148 58.200 0.136 0.000 0.991 317 S CB -0.379 62.895 63.200 0.123 0.000 0.823 317 S HN 0.796 nan 8.310 nan 0.000 0.469 318 D N -0.422 120.050 120.400 0.120 0.000 2.513 318 D HA 0.465 5.105 4.640 0.000 0.000 0.222 318 D C 0.232 176.613 176.300 0.136 0.000 1.210 318 D CA -0.103 53.959 54.000 0.104 0.000 0.825 318 D CB 0.333 41.178 40.800 0.076 0.000 1.037 318 D HN 0.339 nan 8.370 nan 0.000 0.506 319 S N -1.837 113.975 115.700 0.186 0.000 2.669 319 S HA 0.696 5.166 4.470 0.000 0.000 0.266 319 S C -1.491 173.277 174.600 0.279 0.000 1.149 319 S CA -0.208 58.138 58.200 0.244 0.000 0.842 319 S CB 1.072 64.490 63.200 0.364 0.000 1.160 319 S HN 0.567 nan 8.310 nan 0.000 0.487 320 G N 0.369 109.335 108.800 0.277 0.000 2.632 320 G HA2 0.589 4.549 3.960 0.000 0.000 0.292 320 G HA3 0.589 4.549 3.960 0.000 0.000 0.292 320 G C -2.384 172.619 174.900 0.171 0.000 1.465 320 G CA -0.595 44.612 45.100 0.178 0.000 0.824 320 G HN 0.736 nan 8.290 nan 0.000 0.509 321 L N 0.486 121.812 121.223 0.172 0.000 2.386 321 L HA 0.749 5.089 4.340 0.000 0.000 0.271 321 L C -1.305 175.680 176.870 0.191 0.000 0.993 321 L CA -0.830 54.129 54.840 0.199 0.000 0.819 321 L CB 2.334 44.582 42.059 0.315 0.000 1.294 321 L HN 0.571 nan 8.230 nan 0.000 0.414 322 F N 1.633 121.609 119.950 0.043 0.000 2.578 322 F HA 0.863 5.390 4.527 0.000 0.000 0.311 322 F C 0.022 175.916 175.800 0.156 0.000 1.094 322 F CA 0.078 58.117 58.000 0.064 0.000 0.923 322 F CB 2.195 41.126 39.000 -0.115 0.000 1.230 322 F HN 0.525 nan 8.300 nan 0.000 0.450 323 G N 3.119 111.320 108.800 -0.997 0.000 2.498 323 G HA2 0.385 4.345 3.960 0.000 0.000 0.181 323 G HA3 0.385 4.345 3.960 0.000 0.000 0.181 323 G C -1.871 172.700 174.900 -0.550 0.000 1.169 323 G CA -0.041 44.593 45.100 -0.776 0.000 0.992 323 G HN 1.094 nan 8.290 nan 0.000 0.490 324 F N -1.560 118.260 119.950 -0.217 0.000 2.643 324 F HA 0.874 5.401 4.527 -0.000 0.000 0.314 324 F C -1.598 174.225 175.800 0.038 0.000 1.096 324 F CA -1.967 55.992 58.000 -0.067 0.000 0.953 324 F CB 1.738 40.704 39.000 -0.056 0.000 1.345 324 F HN 0.632 nan 8.300 nan 0.000 0.468 325 Y N 1.337 121.777 120.300 0.233 0.000 2.376 325 Y HA 0.668 5.218 4.550 0.000 0.000 0.340 325 Y C -0.549 175.467 175.900 0.193 0.000 0.965 325 Y CA -0.554 57.614 58.100 0.114 0.000 1.078 325 Y CB 1.962 40.468 38.460 0.076 0.000 1.193 325 Y HN 0.972 nan 8.280 nan 0.000 0.452 326 T N 4.406 119.016 114.554 0.093 0.000 2.893 326 T HA 0.787 5.137 4.350 0.000 0.000 0.291 326 T C -1.016 173.678 174.700 -0.010 0.000 1.028 326 T CA -0.749 61.429 62.100 0.130 0.000 0.995 326 T CB 1.521 70.446 68.868 0.095 0.000 1.051 326 T HN 0.517 nan 8.240 nan 0.000 0.470 327 I N 2.548 123.143 120.570 0.040 0.000 2.512 327 I HA 0.589 4.759 4.170 0.000 0.000 0.287 327 I C -0.244 175.887 176.117 0.025 0.000 1.069 327 I CA -0.626 60.609 61.300 -0.108 0.000 1.056 327 I CB 2.048 39.936 38.000 -0.187 0.000 1.229 327 I HN 1.053 nan 8.210 nan 0.000 0.429 328 S N 4.080 119.786 115.700 0.011 0.000 2.615 328 S HA 0.467 4.937 4.470 0.000 0.000 0.269 328 S C -1.157 173.469 174.600 0.044 0.000 1.161 328 S CA -1.089 57.150 58.200 0.065 0.000 0.817 328 S CB 1.744 64.979 63.200 0.058 0.000 1.131 328 S HN 0.568 nan 8.310 nan 0.000 0.467 329 Q N 0.423 120.254 119.800 0.052 0.000 2.392 329 Q HA 0.431 4.771 4.340 0.000 0.000 0.262 329 Q C 1.603 177.616 176.000 0.021 0.000 1.003 329 Q CA 0.158 55.982 55.803 0.035 0.000 0.888 329 Q CB 0.766 29.527 28.738 0.038 0.000 1.260 329 Q HN 0.890 nan 8.270 nan 0.000 0.435 330 A N 2.596 125.417 122.820 0.001 0.000 1.927 330 A HA -0.286 4.034 4.320 0.000 0.000 0.220 330 A C 2.031 179.606 177.584 -0.016 0.000 1.185 330 A CA 2.231 54.254 52.037 -0.024 0.000 0.639 330 A CB -0.868 18.095 19.000 -0.060 0.000 0.820 330 A HN 0.870 nan 8.150 nan 0.000 0.451 331 A N -1.243 121.576 122.820 -0.002 0.000 2.067 331 A HA 0.070 4.390 4.320 0.000 0.000 0.219 331 A C 2.117 179.821 177.584 0.199 0.000 1.158 331 A CA 1.692 53.803 52.037 0.124 0.000 0.661 331 A CB -0.397 18.659 19.000 0.093 0.000 0.801 331 A HN 0.436 nan 8.150 nan 0.000 0.452 332 S N -0.562 115.189 115.700 0.086 0.000 2.556 332 S HA 0.369 4.839 4.470 0.000 0.000 0.216 332 S C 1.879 176.487 174.600 0.013 0.000 0.970 332 S CA 0.359 58.584 58.200 0.042 0.000 0.912 332 S CB 0.133 63.346 63.200 0.021 0.000 0.790 332 S HN 0.719 nan 8.310 nan 0.000 0.504 333 A N 2.026 124.864 122.820 0.030 0.000 1.892 333 A HA -0.056 4.264 4.320 0.000 0.000 0.218 333 A C 2.267 179.845 177.584 -0.009 0.000 1.188 333 A CA 1.948 53.986 52.037 0.002 0.000 0.631 333 A CB -1.413 17.587 19.000 -0.000 0.000 0.822 333 A HN 0.523 nan 8.150 nan 0.000 0.447 334 G N -0.466 108.337 108.800 0.004 0.000 2.418 334 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 334 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 334 G C 1.142 176.026 174.900 -0.026 0.000 1.158 334 G CA 1.191 46.284 45.100 -0.012 0.000 0.771 334 G HN 0.481 nan 8.290 nan 0.000 0.545 335 D N 0.328 120.702 120.400 -0.043 0.000 2.117 335 D HA -0.090 4.550 4.640 0.000 0.000 0.197 335 D C 2.778 179.011 176.300 -0.112 0.000 0.987 335 D CA 0.777 54.736 54.000 -0.069 0.000 0.829 335 D CB -0.469 40.287 40.800 -0.073 0.000 0.961 335 D HN 0.212 nan 8.370 nan 0.000 0.460 336 V N 1.242 121.074 119.914 -0.136 0.000 2.307 336 V HA -0.195 3.925 4.120 0.000 0.000 0.245 336 V C 2.564 178.573 176.094 -0.143 0.000 1.045 336 V CA 1.083 63.251 62.300 -0.220 0.000 1.024 336 V CB -0.346 31.349 31.823 -0.214 0.000 0.651 336 V HN 0.153 nan 8.190 nan 0.000 0.449 337 I N -0.406 120.146 120.570 -0.029 0.000 2.226 337 I HA -0.261 3.909 4.170 0.000 0.000 0.245 337 I C 2.540 178.726 176.117 0.114 0.000 1.100 337 I CA 1.679 63.041 61.300 0.102 0.000 1.374 337 I CB -0.381 37.683 38.000 0.107 0.000 1.057 337 I HN 0.268 nan 8.210 nan 0.000 0.413 338 K N 0.749 121.186 120.400 0.062 0.000 2.057 338 K HA -0.079 4.241 4.320 0.000 0.000 0.206 338 K C 2.276 178.907 176.600 0.052 0.000 1.050 338 K CA 1.358 57.708 56.287 0.104 0.000 0.935 338 K CB -0.236 32.298 32.500 0.057 0.000 0.715 338 K HN 0.288 nan 8.250 nan 0.000 0.439 339 A N 1.607 124.395 122.820 -0.053 0.000 1.902 339 A HA -0.107 4.213 4.320 0.000 0.000 0.217 339 A C 2.374 179.868 177.584 -0.150 0.000 1.181 339 A CA 1.818 53.791 52.037 -0.108 0.000 0.623 339 A CB -0.643 18.251 19.000 -0.177 0.000 0.818 339 A HN 0.323 nan 8.150 nan 0.000 0.443 340 A N -1.541 121.129 122.820 -0.251 0.000 1.873 340 A HA -0.083 4.237 4.320 0.000 0.000 0.215 340 A C 2.163 179.535 177.584 -0.353 0.000 1.186 340 A CA 1.667 53.417 52.037 -0.478 0.000 0.616 340 A CB -0.819 17.596 19.000 -0.974 0.000 0.823 340 A HN 0.630 nan 8.150 nan 0.000 0.442 341 Y N 1.669 121.827 120.300 -0.236 0.000 2.145 341 Y HA -0.208 4.342 4.550 0.000 0.000 0.286 341 Y C 2.213 178.173 175.900 0.100 0.000 1.145 341 Y CA 1.835 60.023 58.100 0.146 0.000 1.148 341 Y CB -0.469 38.170 38.460 0.298 0.000 0.981 341 Y HN 0.334 nan 8.280 nan 0.000 0.507 342 N N 0.245 118.951 118.700 0.010 0.000 2.149 342 N HA -0.209 4.531 4.740 0.000 0.000 0.188 342 N C 1.825 177.286 175.510 -0.083 0.000 1.019 342 N CA 1.510 54.508 53.050 -0.085 0.000 0.857 342 N CB -0.558 37.906 38.487 -0.038 0.000 0.997 342 N HN 0.424 nan 8.380 nan 0.000 0.426 343 Q N 0.988 120.747 119.800 -0.069 0.000 2.124 343 Q HA -0.009 4.331 4.340 0.000 0.000 0.202 343 Q C 1.738 177.724 176.000 -0.024 0.000 0.977 343 Q CA 1.059 56.829 55.803 -0.054 0.000 0.850 343 Q CB -0.218 28.476 28.738 -0.073 0.000 0.901 343 Q HN 0.170 nan 8.270 nan 0.000 0.429 344 V N 0.489 120.404 119.914 0.001 0.000 2.548 344 V HA -0.164 3.956 4.120 0.000 0.000 0.249 344 V C 2.054 178.175 176.094 0.045 0.000 1.055 344 V CA 1.767 64.116 62.300 0.082 0.000 1.065 344 V CB -0.452 31.521 31.823 0.250 0.000 0.681 344 V HN 0.323 nan 8.190 nan 0.000 0.462 345 K N 0.634 120.994 120.400 -0.068 0.000 2.147 345 K HA -0.159 4.161 4.320 0.000 0.000 0.205 345 K C 2.318 178.890 176.600 -0.045 0.000 1.049 345 K CA 1.857 58.084 56.287 -0.101 0.000 0.936 345 K CB -0.396 31.983 32.500 -0.201 0.000 0.722 345 K HN 0.716 nan 8.250 nan 0.000 0.446 346 T N -0.167 114.365 114.554 -0.036 0.000 2.867 346 T HA -0.058 4.292 4.350 0.000 0.000 0.268 346 T C 1.870 176.564 174.700 -0.010 0.000 1.057 346 T CA 0.617 62.703 62.100 -0.023 0.000 1.136 346 T CB -0.114 68.741 68.868 -0.022 0.000 0.874 346 T HN -0.063 nan 8.240 nan 0.000 0.466 347 I N 2.453 123.023 120.570 0.001 0.000 2.252 347 I HA 0.034 4.204 4.170 0.000 0.000 0.245 347 I C 3.118 179.236 176.117 0.001 0.000 1.102 347 I CA 1.175 62.478 61.300 0.005 0.000 1.385 347 I CB -1.774 36.237 38.000 0.019 0.000 1.064 347 I HN 0.392 nan 8.210 nan 0.000 0.414 348 A N 0.099 122.927 122.820 0.014 0.000 2.070 348 A HA -0.187 4.133 4.320 0.000 0.000 0.220 348 A C 2.085 179.667 177.584 -0.003 0.000 1.159 348 A CA 1.103 53.148 52.037 0.013 0.000 0.656 348 A CB -0.560 18.463 19.000 0.038 0.000 0.800 348 A HN 0.532 nan 8.150 nan 0.000 0.453 349 Q N -1.781 118.014 119.800 -0.009 0.000 2.403 349 Q HA 0.293 4.633 4.340 0.000 0.000 0.203 349 Q C 1.126 177.119 176.000 -0.013 0.000 0.932 349 Q CA 0.408 56.203 55.803 -0.012 0.000 0.945 349 Q CB 0.235 28.963 28.738 -0.016 0.000 1.045 349 Q HN 0.828 nan 8.270 nan 0.000 0.511 350 G N 0.983 109.774 108.800 -0.014 0.000 2.176 350 G HA2 -0.212 3.748 3.960 0.000 0.000 0.232 350 G HA3 -0.212 3.748 3.960 0.000 0.000 0.232 350 G C 0.008 174.900 174.900 -0.014 0.000 0.986 350 G CA -0.365 44.726 45.100 -0.016 0.000 0.643 350 G HN 0.299 nan 8.290 nan 0.000 0.522 351 N N 0.649 119.342 118.700 -0.012 0.000 2.971 351 N HA 0.334 5.074 4.740 0.000 0.000 0.294 351 N C -0.573 174.933 175.510 -0.007 0.000 1.210 351 N CA 0.530 53.575 53.050 -0.009 0.000 1.157 351 N CB 0.809 39.291 38.487 -0.009 0.000 1.450 351 N HN 0.522 nan 8.380 nan 0.000 0.527 352 L N 0.853 122.070 121.223 -0.010 0.000 2.439 352 L HA 0.311 4.651 4.340 0.000 0.000 0.270 352 L C -0.093 176.771 176.870 -0.009 0.000 0.972 352 L CA -0.625 54.210 54.840 -0.009 0.000 0.836 352 L CB 1.692 43.742 42.059 -0.014 0.000 1.255 352 L HN 0.158 nan 8.230 nan 0.000 0.404 353 S N 2.898 118.594 115.700 -0.006 0.000 2.586 353 S HA 0.272 4.742 4.470 0.000 0.000 0.274 353 S C 0.881 175.476 174.600 -0.008 0.000 1.281 353 S CA -0.328 57.868 58.200 -0.007 0.000 1.035 353 S CB 1.012 64.210 63.200 -0.004 0.000 0.962 353 S HN 0.823 nan 8.310 nan 0.000 0.512 354 N N 2.419 121.113 118.700 -0.010 0.000 2.149 354 N HA -0.062 4.678 4.740 0.000 0.000 0.188 354 N C -1.108 174.396 175.510 -0.010 0.000 1.019 354 N CA 1.410 54.453 53.050 -0.012 0.000 0.857 354 N CB -1.084 37.395 38.487 -0.013 0.000 0.997 354 N HN 0.492 nan 8.380 nan 0.000 0.426 355 P HA -0.052 nan 4.420 nan 0.000 0.218 355 P C 0.702 177.999 177.300 -0.005 0.000 1.149 355 P CA 1.048 64.144 63.100 -0.007 0.000 0.817 355 P CB -0.006 31.691 31.700 -0.006 0.000 0.785 356 D N -1.017 119.382 120.400 -0.002 0.000 2.117 356 D HA -0.092 4.548 4.640 0.000 0.000 0.198 356 D C 1.984 178.289 176.300 0.008 0.000 0.982 356 D CA 1.045 55.048 54.000 0.005 0.000 0.828 356 D CB -0.641 40.165 40.800 0.009 0.000 0.967 356 D HN -0.009 nan 8.370 nan 0.000 0.464 357 V N 0.860 120.774 119.914 0.000 0.000 2.427 357 V HA -0.220 3.900 4.120 0.000 0.000 0.248 357 V C 2.462 178.552 176.094 -0.006 0.000 1.051 357 V CA 1.350 63.648 62.300 -0.003 0.000 1.048 357 V CB -0.390 31.424 31.823 -0.015 0.000 0.666 357 V HN 0.084 nan 8.190 nan 0.000 0.456 358 Q N 0.682 120.477 119.800 -0.010 0.000 2.079 358 Q HA -0.084 4.256 4.340 0.000 0.000 0.200 358 Q C 2.161 178.153 176.000 -0.012 0.000 0.974 358 Q CA 2.076 57.871 55.803 -0.013 0.000 0.840 358 Q CB -0.628 28.102 28.738 -0.014 0.000 0.898 358 Q HN 0.577 nan 8.270 nan 0.000 0.430 359 A N 0.246 123.061 122.820 -0.008 0.000 1.902 359 A HA -0.052 4.268 4.320 0.000 0.000 0.217 359 A C 2.283 179.869 177.584 0.003 0.000 1.181 359 A CA 1.920 53.949 52.037 -0.012 0.000 0.623 359 A CB -1.158 17.832 19.000 -0.016 0.000 0.818 359 A HN 0.491 nan 8.150 nan 0.000 0.443 360 A N -0.202 122.634 122.820 0.027 0.000 1.902 360 A HA -0.177 4.143 4.320 0.000 0.000 0.217 360 A C 2.115 179.702 177.584 0.006 0.000 1.181 360 A CA 1.850 53.931 52.037 0.073 0.000 0.623 360 A CB -0.440 18.616 19.000 0.093 0.000 0.818 360 A HN 0.543 nan 8.150 nan 0.000 0.443 361 K N -0.448 119.939 120.400 -0.021 0.000 2.097 361 K HA -0.125 4.195 4.320 0.000 0.000 0.206 361 K C 1.714 178.280 176.600 -0.056 0.000 1.049 361 K CA 1.330 57.584 56.287 -0.055 0.000 0.933 361 K CB -0.205 32.270 32.500 -0.041 0.000 0.717 361 K HN 0.395 nan 8.250 nan 0.000 0.442 362 N N 1.191 119.873 118.700 -0.030 0.000 2.106 362 N HA -0.121 4.619 4.740 0.000 0.000 0.188 362 N C 1.441 176.948 175.510 -0.005 0.000 1.029 362 N CA 1.251 54.291 53.050 -0.017 0.000 0.848 362 N CB -0.056 38.423 38.487 -0.014 0.000 1.007 362 N HN 0.170 nan 8.380 nan 0.000 0.423 363 K N 0.325 120.730 120.400 0.009 0.000 2.057 363 K HA -0.098 4.222 4.320 0.000 0.000 0.207 363 K C 1.893 178.482 176.600 -0.019 0.000 1.049 363 K CA 0.710 57.058 56.287 0.102 0.000 0.931 363 K CB -0.258 32.394 32.500 0.254 0.000 0.714 363 K HN 0.033 nan 8.250 nan 0.000 0.440 364 L N 1.918 122.966 121.223 -0.292 0.000 2.017 364 L HA -0.171 4.169 4.340 0.000 0.000 0.208 364 L C 1.782 178.576 176.870 -0.126 0.000 1.073 364 L CA 1.857 56.410 54.840 -0.477 0.000 0.745 364 L CB -0.238 41.502 42.059 -0.532 0.000 0.894 364 L HN -0.017 nan 8.230 nan 0.000 0.432 365 K N -0.575 119.788 120.400 -0.063 0.000 2.026 365 K HA -0.072 4.248 4.320 0.000 0.000 0.208 365 K C 2.105 178.751 176.600 0.076 0.000 1.048 365 K CA 1.411 57.710 56.287 0.021 0.000 0.929 365 K CB -0.475 32.027 32.500 0.003 0.000 0.713 365 K HN 0.451 nan 8.250 nan 0.000 0.439 366 A N 1.088 123.940 122.820 0.054 0.000 1.933 366 A HA -0.079 4.241 4.320 0.000 0.000 0.218 366 A C 2.398 180.031 177.584 0.082 0.000 1.175 366 A CA 1.876 53.954 52.037 0.069 0.000 0.628 366 A CB -1.182 17.861 19.000 0.071 0.000 0.814 366 A HN 0.431 nan 8.150 nan 0.000 0.444 367 G N -1.649 107.207 108.800 0.095 0.000 2.418 367 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 367 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 367 G C 1.551 176.519 174.900 0.113 0.000 1.158 367 G CA 1.248 46.412 45.100 0.107 0.000 0.771 367 G HN 0.557 nan 8.290 nan 0.000 0.545 368 Y N 1.249 121.555 120.300 0.010 0.000 2.145 368 Y HA -0.030 4.520 4.550 0.000 0.000 0.286 368 Y C 2.582 178.503 175.900 0.034 0.000 1.145 368 Y CA 1.326 59.436 58.100 0.016 0.000 1.148 368 Y CB -0.315 38.142 38.460 -0.004 0.000 0.981 368 Y HN 0.104 nan 8.280 nan 0.000 0.507 369 L N -0.695 120.528 121.223 -0.000 0.000 2.083 369 L HA -0.266 4.074 4.340 0.000 0.000 0.209 369 L C 2.484 179.309 176.870 -0.074 0.000 1.083 369 L CA 1.585 56.385 54.840 -0.066 0.000 0.752 369 L CB -0.504 41.578 42.059 0.038 0.000 0.899 369 L HN 0.318 nan 8.230 nan 0.000 0.433 370 M N -0.619 118.964 119.600 -0.028 0.000 2.319 370 M HA -0.131 4.349 4.480 0.000 0.000 0.265 370 M C 2.433 178.712 176.300 -0.034 0.000 1.068 370 M CA 1.694 56.985 55.300 -0.016 0.000 1.118 370 M CB -0.218 32.389 32.600 0.011 0.000 1.395 370 M HN 0.340 nan 8.290 nan 0.000 0.435 371 S N -0.154 115.506 115.700 -0.068 0.000 2.522 371 S HA -0.016 4.454 4.470 0.000 0.000 0.227 371 S C 1.266 175.819 174.600 -0.078 0.000 0.986 371 S CA 0.672 58.834 58.200 -0.063 0.000 0.929 371 S CB -0.632 62.536 63.200 -0.053 0.000 0.769 371 S HN 0.435 nan 8.310 nan 0.000 0.529 372 V N -2.129 117.712 119.914 -0.122 0.000 3.121 372 V HA 0.457 4.577 4.120 0.000 0.000 0.344 372 V C 1.411 177.531 176.094 0.043 0.000 1.390 372 V CA -0.040 62.244 62.300 -0.026 0.000 1.177 372 V CB -0.334 31.435 31.823 -0.090 0.000 1.163 372 V HN 0.344 nan 8.190 nan 0.000 0.484 373 E N 1.955 122.157 120.200 0.004 0.000 2.112 373 E HA -0.002 4.348 4.350 0.000 0.000 0.190 373 E C 1.375 177.979 176.600 0.008 0.000 0.979 373 E CA 1.003 57.404 56.400 0.001 0.000 0.814 373 E CB 0.230 29.927 29.700 -0.005 0.000 0.762 373 E HN 0.842 nan 8.360 nan 0.000 0.460 374 S N -0.588 115.129 115.700 0.029 0.000 2.687 374 S HA 0.133 4.603 4.470 0.000 0.000 0.283 374 S C 1.188 175.835 174.600 0.077 0.000 1.170 374 S CA -0.111 58.109 58.200 0.034 0.000 1.008 374 S CB 1.670 64.889 63.200 0.032 0.000 1.026 374 S HN 0.165 nan 8.310 nan 0.000 0.541 375 S N 0.354 116.093 115.700 0.064 0.000 2.383 375 S HA -0.239 4.231 4.470 0.000 0.000 0.229 375 S C 1.643 176.346 174.600 0.172 0.000 1.030 375 S CA 1.350 59.620 58.200 0.116 0.000 1.002 375 S CB -0.941 62.300 63.200 0.069 0.000 0.829 375 S HN 0.898 nan 8.310 nan 0.000 0.467 376 E N 1.750 122.018 120.200 0.113 0.000 2.051 376 E HA -0.073 4.277 4.350 0.000 0.000 0.192 376 E C 2.232 178.904 176.600 0.119 0.000 0.991 376 E CA 1.278 57.742 56.400 0.107 0.000 0.799 376 E CB -0.979 28.761 29.700 0.066 0.000 0.748 376 E HN 0.623 nan 8.360 nan 0.000 0.449 377 G N 0.174 109.035 108.800 0.102 0.000 2.402 377 G HA2 -0.283 3.677 3.960 0.000 0.000 0.216 377 G HA3 -0.283 3.677 3.960 0.000 0.000 0.216 377 G C 1.365 176.321 174.900 0.093 0.000 1.162 377 G CA 0.649 45.795 45.100 0.078 0.000 0.777 377 G HN 0.384 nan 8.290 nan 0.000 0.539 378 F N 0.928 120.876 119.950 -0.003 0.000 2.069 378 F HA -0.044 4.483 4.527 0.000 0.000 0.298 378 F C 2.349 178.157 175.800 0.013 0.000 1.113 378 F CA 1.384 59.380 58.000 -0.006 0.000 1.214 378 F CB -0.442 38.552 39.000 -0.009 0.000 0.978 378 F HN 0.092 nan 8.300 nan 0.000 0.474 379 L N 0.785 122.050 121.223 0.071 0.000 2.042 379 L HA -0.240 4.100 4.340 0.000 0.000 0.210 379 L C 2.111 178.975 176.870 -0.010 0.000 1.076 379 L CA 2.383 57.233 54.840 0.017 0.000 0.749 379 L CB -0.985 41.216 42.059 0.237 0.000 0.893 379 L HN 0.278 nan 8.230 nan 0.000 0.432 380 D N -1.249 119.223 120.400 0.120 0.000 2.144 380 D HA -0.240 4.400 4.640 0.000 0.000 0.199 380 D C 2.063 178.336 176.300 -0.045 0.000 0.984 380 D CA 1.092 55.194 54.000 0.170 0.000 0.834 380 D CB 0.113 41.011 40.800 0.162 0.000 0.955 380 D HN 0.344 nan 8.370 nan 0.000 0.465 381 E N -0.249 119.889 120.200 -0.102 0.000 2.028 381 E HA -0.093 4.257 4.350 0.000 0.000 0.191 381 E C 2.129 178.623 176.600 -0.177 0.000 0.988 381 E CA 1.161 57.505 56.400 -0.093 0.000 0.799 381 E CB -0.428 29.229 29.700 -0.072 0.000 0.755 381 E HN 0.182 nan 8.360 nan 0.000 0.447 382 V N 0.413 120.106 119.914 -0.368 0.000 2.295 382 V HA -0.170 3.950 4.120 0.000 0.000 0.246 382 V C 2.356 178.193 176.094 -0.428 0.000 1.049 382 V CA 1.939 64.015 62.300 -0.373 0.000 1.024 382 V CB -1.216 30.233 31.823 -0.624 0.000 0.648 382 V HN 0.484 nan 8.190 nan 0.000 0.447 383 G N -0.490 107.829 108.800 -0.802 0.000 2.422 383 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 383 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 383 G C 1.823 176.263 174.900 -0.766 0.000 1.146 383 G CA 1.231 45.467 45.100 -1.440 0.000 0.769 383 G HN 0.524 nan 8.290 nan 0.000 0.547 384 S N 0.157 115.605 115.700 -0.421 0.000 2.371 384 S HA -0.087 4.383 4.470 0.000 0.000 0.224 384 S C 2.323 176.892 174.600 -0.052 0.000 1.029 384 S CA 1.099 59.236 58.200 -0.106 0.000 0.978 384 S CB -0.217 62.980 63.200 -0.004 0.000 0.833 384 S HN 0.488 nan 8.310 nan 0.000 0.466 385 Q N 0.783 120.554 119.800 -0.049 0.000 2.084 385 Q HA -0.059 4.281 4.340 0.000 0.000 0.202 385 Q C 2.525 178.551 176.000 0.044 0.000 0.978 385 Q CA 1.342 57.160 55.803 0.024 0.000 0.844 385 Q CB -0.378 28.410 28.738 0.084 0.000 0.898 385 Q HN 0.596 nan 8.270 nan 0.000 0.426 386 A N 0.675 123.500 122.820 0.007 0.000 1.940 386 A HA -0.167 4.153 4.320 0.000 0.000 0.219 386 A C 1.954 179.561 177.584 0.038 0.000 1.176 386 A CA 1.204 53.267 52.037 0.044 0.000 0.631 386 A CB -0.478 18.478 19.000 -0.073 0.000 0.814 386 A HN 0.299 nan 8.150 nan 0.000 0.446 387 L N -1.809 119.420 121.223 0.011 0.000 2.249 387 L HA 0.038 4.378 4.340 0.000 0.000 0.207 387 L C 2.940 179.849 176.870 0.065 0.000 1.090 387 L CA 0.724 55.592 54.840 0.048 0.000 0.802 387 L CB -0.384 41.719 42.059 0.072 0.000 0.947 387 L HN 0.425 nan 8.230 nan 0.000 0.453 388 A N -0.024 122.832 122.820 0.059 0.000 1.874 388 A HA 0.123 4.443 4.320 0.000 0.000 0.214 388 A C 2.100 179.718 177.584 0.057 0.000 1.189 388 A CA 1.458 53.533 52.037 0.064 0.000 0.615 388 A CB -0.292 18.741 19.000 0.055 0.000 0.830 388 A HN 0.323 nan 8.150 nan 0.000 0.443 389 A N -2.162 120.690 122.820 0.054 0.000 2.469 389 A HA 0.469 4.790 4.320 0.000 0.000 0.245 389 A C 1.520 179.144 177.584 0.067 0.000 1.221 389 A CA 1.000 53.066 52.037 0.047 0.000 0.946 389 A CB -0.545 18.470 19.000 0.025 0.000 1.049 389 A HN 1.828 nan 8.150 nan 0.000 0.529 390 G N 0.666 109.527 108.800 0.102 0.000 2.341 390 G HA2 -0.107 3.853 3.960 0.000 0.000 0.292 390 G HA3 -0.107 3.853 3.960 0.000 0.000 0.292 390 G C 0.283 175.300 174.900 0.196 0.000 1.021 390 G CA 1.249 46.450 45.100 0.167 0.000 0.905 390 G HN 1.934 nan 8.290 nan 0.000 0.508 391 S N -1.854 113.932 115.700 0.144 0.000 2.643 391 S HA 0.676 5.146 4.470 0.000 0.000 0.270 391 S C -1.208 173.445 174.600 0.089 0.000 1.166 391 S CA -0.942 57.249 58.200 -0.015 0.000 0.815 391 S CB 2.115 65.272 63.200 -0.070 0.000 1.139 391 S HN 1.416 nan 8.310 nan 0.000 0.472 392 Y N 1.036 121.241 120.300 -0.158 0.000 2.331 392 Y HA 0.637 5.187 4.550 0.000 0.000 0.334 392 Y C -0.788 175.076 175.900 -0.061 0.000 0.960 392 Y CA -0.351 57.712 58.100 -0.062 0.000 1.130 392 Y CB 1.994 40.438 38.460 -0.027 0.000 1.164 392 Y HN 0.831 nan 8.280 nan 0.000 0.458 393 T N 9.428 123.601 114.554 -0.634 0.000 2.756 393 T HA 0.356 4.706 4.350 0.000 0.000 0.290 393 T C -2.735 171.451 174.700 -0.857 0.000 0.985 393 T CA -1.365 60.404 62.100 -0.552 0.000 0.955 393 T CB 1.067 69.763 68.868 -0.287 0.000 0.930 393 T HN 0.436 nan 8.240 nan 0.000 0.451 394 P HA 0.241 nan 4.420 nan 0.000 0.274 394 P C -2.247 174.987 177.300 -0.110 0.000 1.237 394 P CA -1.620 61.244 63.100 -0.393 0.000 0.793 394 P CB 0.766 32.394 31.700 -0.119 0.000 0.977 395 P HA -0.257 nan 4.420 nan 0.000 0.216 395 P C 2.000 179.342 177.300 0.069 0.000 1.157 395 P CA 2.498 65.709 63.100 0.185 0.000 0.880 395 P CB -0.425 31.397 31.700 0.204 0.000 0.791 396 S N -1.609 114.114 115.700 0.038 0.000 2.368 396 S HA -0.243 4.227 4.470 0.000 0.000 0.226 396 S C 1.957 176.540 174.600 -0.027 0.000 1.044 396 S CA 2.453 60.659 58.200 0.009 0.000 1.062 396 S CB -2.102 61.103 63.200 0.008 0.000 0.931 396 S HN 0.139 nan 8.310 nan 0.000 0.440 397 T N 2.056 116.575 114.554 -0.059 0.000 2.777 397 T HA 0.021 4.371 4.350 0.000 0.000 0.266 397 T C 1.951 176.585 174.700 -0.110 0.000 1.040 397 T CA 1.282 63.331 62.100 -0.086 0.000 1.141 397 T CB -0.606 68.194 68.868 -0.114 0.000 0.868 397 T HN 0.305 nan 8.240 nan 0.000 0.444 398 V N 1.834 121.664 119.914 -0.141 0.000 2.287 398 V HA -0.142 3.978 4.120 0.000 0.000 0.248 398 V C 2.494 178.480 176.094 -0.181 0.000 1.053 398 V CA 1.516 63.680 62.300 -0.228 0.000 1.027 398 V CB -0.769 30.795 31.823 -0.431 0.000 0.646 398 V HN 0.457 nan 8.190 nan 0.000 0.447 399 L N -0.607 120.554 121.223 -0.104 0.000 2.083 399 L HA -0.238 4.102 4.340 0.000 0.000 0.209 399 L C 2.672 179.504 176.870 -0.064 0.000 1.083 399 L CA 1.609 56.410 54.840 -0.065 0.000 0.752 399 L CB -0.660 41.392 42.059 -0.012 0.000 0.899 399 L HN 0.394 nan 8.230 nan 0.000 0.433 400 Q N -0.307 119.456 119.800 -0.062 0.000 2.079 400 Q HA -0.222 4.118 4.340 0.000 0.000 0.200 400 Q C 2.246 178.208 176.000 -0.065 0.000 0.974 400 Q CA 1.305 57.076 55.803 -0.054 0.000 0.840 400 Q CB -0.090 28.619 28.738 -0.049 0.000 0.898 400 Q HN 0.569 nan 8.270 nan 0.000 0.430 401 Q N 0.135 119.885 119.800 -0.083 0.000 2.226 401 Q HA -0.126 4.214 4.340 0.000 0.000 0.204 401 Q C 1.950 177.899 176.000 -0.085 0.000 0.975 401 Q CA 0.900 56.652 55.803 -0.085 0.000 0.866 401 Q CB 0.002 28.677 28.738 -0.104 0.000 0.915 401 Q HN 0.444 nan 8.270 nan 0.000 0.440 402 I N 0.740 121.253 120.570 -0.095 0.000 2.277 402 I HA -0.219 3.951 4.170 0.000 0.000 0.243 402 I C 1.545 177.622 176.117 -0.067 0.000 1.094 402 I CA 0.850 62.097 61.300 -0.089 0.000 1.393 402 I CB -0.136 37.803 38.000 -0.102 0.000 1.078 402 I HN 0.111 nan 8.210 nan 0.000 0.417 403 D N 1.254 121.619 120.400 -0.057 0.000 2.178 403 D HA -0.136 4.504 4.640 0.000 0.000 0.201 403 D C 2.155 178.429 176.300 -0.044 0.000 0.980 403 D CA 1.378 55.351 54.000 -0.045 0.000 0.842 403 D CB -0.039 40.738 40.800 -0.037 0.000 0.948 403 D HN 0.334 nan 8.370 nan 0.000 0.472 404 A N 0.676 123.468 122.820 -0.048 0.000 2.121 404 A HA -0.015 4.305 4.320 0.000 0.000 0.218 404 A C 1.265 178.821 177.584 -0.046 0.000 1.154 404 A CA 0.164 52.175 52.037 -0.044 0.000 0.679 404 A CB -0.115 18.858 19.000 -0.045 0.000 0.795 404 A HN 0.055 nan 8.150 nan 0.000 0.458 405 V N 0.885 120.768 119.914 -0.052 0.000 2.540 405 V HA 0.326 4.446 4.120 0.000 0.000 0.297 405 V C 0.823 176.885 176.094 -0.054 0.000 1.024 405 V CA 0.062 62.327 62.300 -0.058 0.000 1.105 405 V CB 0.311 32.096 31.823 -0.064 0.000 0.938 405 V HN 0.512 nan 8.190 nan 0.000 0.482 406 A N 3.567 126.353 122.820 -0.056 0.000 2.295 406 A HA 0.451 4.771 4.320 0.000 0.000 0.318 406 A C 0.895 178.445 177.584 -0.058 0.000 1.134 406 A CA -0.537 51.470 52.037 -0.051 0.000 0.827 406 A CB 0.429 19.402 19.000 -0.046 0.000 1.136 406 A HN 0.844 nan 8.150 nan 0.000 0.493 407 D N 1.425 121.797 120.400 -0.048 0.000 2.158 407 D HA -0.148 4.492 4.640 0.000 0.000 0.197 407 D C 2.071 178.336 176.300 -0.058 0.000 0.995 407 D CA 2.275 56.246 54.000 -0.048 0.000 0.846 407 D CB -0.109 40.669 40.800 -0.036 0.000 0.941 407 D HN 0.644 nan 8.370 nan 0.000 0.456 408 A N 0.617 123.405 122.820 -0.054 0.000 1.969 408 A HA -0.166 4.154 4.320 0.000 0.000 0.218 408 A C 1.675 179.211 177.584 -0.080 0.000 1.169 408 A CA 1.469 53.472 52.037 -0.057 0.000 0.635 408 A CB -0.247 18.726 19.000 -0.045 0.000 0.810 408 A HN 0.067 nan 8.150 nan 0.000 0.445 409 D N -0.159 120.187 120.400 -0.091 0.000 2.144 409 D HA -0.083 4.557 4.640 0.000 0.000 0.200 409 D C 2.072 178.258 176.300 -0.190 0.000 0.978 409 D CA 1.367 55.292 54.000 -0.125 0.000 0.833 409 D CB -0.371 40.362 40.800 -0.112 0.000 0.961 409 D HN 0.253 nan 8.370 nan 0.000 0.470 410 V N 1.375 121.189 119.914 -0.166 0.000 2.307 410 V HA -0.192 3.928 4.120 0.000 0.000 0.245 410 V C 2.567 178.546 176.094 -0.191 0.000 1.045 410 V CA 1.026 63.206 62.300 -0.199 0.000 1.024 410 V CB -0.330 31.420 31.823 -0.123 0.000 0.651 410 V HN 0.157 nan 8.190 nan 0.000 0.449 411 I N 0.501 120.997 120.570 -0.123 0.000 2.226 411 I HA -0.276 3.894 4.170 0.000 0.000 0.245 411 I C 2.242 178.298 176.117 -0.101 0.000 1.100 411 I CA 1.974 63.221 61.300 -0.089 0.000 1.374 411 I CB -0.533 37.432 38.000 -0.058 0.000 1.057 411 I HN 0.421 nan 8.210 nan 0.000 0.413 412 N N 0.471 119.098 118.700 -0.123 0.000 2.244 412 N HA -0.128 4.612 4.740 0.000 0.000 0.183 412 N C 1.929 177.333 175.510 -0.177 0.000 1.016 412 N CA 0.972 53.954 53.050 -0.114 0.000 0.866 412 N CB -0.098 38.328 38.487 -0.101 0.000 0.980 412 N HN 0.332 nan 8.380 nan 0.000 0.430 413 A N 1.178 123.778 122.820 -0.367 0.000 1.898 413 A HA 0.031 4.351 4.320 0.000 0.000 0.216 413 A C 2.320 179.696 177.584 -0.346 0.000 1.181 413 A CA 1.517 53.109 52.037 -0.742 0.000 0.620 413 A CB -0.742 17.397 19.000 -1.435 0.000 0.819 413 A HN 0.325 nan 8.150 nan 0.000 0.442 414 A N -0.017 122.686 122.820 -0.196 0.000 1.933 414 A HA -0.167 4.153 4.320 0.000 0.000 0.218 414 A C 2.084 179.768 177.584 0.167 0.000 1.175 414 A CA 1.831 53.897 52.037 0.049 0.000 0.628 414 A CB -0.411 18.606 19.000 0.029 0.000 0.814 414 A HN 0.554 nan 8.150 nan 0.000 0.444 415 K N -0.457 119.982 120.400 0.065 0.000 2.148 415 K HA -0.107 4.213 4.320 0.000 0.000 0.204 415 K C 2.117 178.783 176.600 0.110 0.000 1.050 415 K CA 1.420 57.751 56.287 0.074 0.000 0.942 415 K CB -0.090 32.424 32.500 0.022 0.000 0.724 415 K HN 0.511 nan 8.250 nan 0.000 0.446 416 K N 0.546 121.025 120.400 0.133 0.000 2.097 416 K HA -0.144 4.176 4.320 0.000 0.000 0.205 416 K C 1.938 178.691 176.600 0.255 0.000 1.050 416 K CA 0.986 57.382 56.287 0.181 0.000 0.938 416 K CB -0.094 32.558 32.500 0.254 0.000 0.718 416 K HN 0.039 nan 8.250 nan 0.000 0.442 417 F N 0.950 121.046 119.950 0.243 0.000 2.084 417 F HA -0.169 4.358 4.527 0.000 0.000 0.296 417 F C 1.736 177.695 175.800 0.264 0.000 1.111 417 F CA 1.267 59.455 58.000 0.313 0.000 1.224 417 F CB -0.536 38.752 39.000 0.480 0.000 0.991 417 F HN -0.219 nan 8.300 nan 0.000 0.471 418 V N 0.529 120.520 119.914 0.129 0.000 2.332 418 V HA -0.315 3.805 4.120 0.000 0.000 0.248 418 V C 2.536 178.620 176.094 -0.017 0.000 1.055 418 V CA 2.314 64.623 62.300 0.015 0.000 1.038 418 V CB -1.187 30.682 31.823 0.076 0.000 0.651 418 V HN 0.613 nan 8.190 nan 0.000 0.450 419 S N -0.309 115.396 115.700 0.009 0.000 2.528 419 S HA 0.192 4.662 4.470 0.000 0.000 0.219 419 S C 1.156 175.748 174.600 -0.014 0.000 0.985 419 S CA 0.336 58.539 58.200 0.005 0.000 0.914 419 S CB -0.167 63.045 63.200 0.020 0.000 0.776 419 S HN 0.555 nan 8.310 nan 0.000 0.526 420 G N 1.397 110.175 108.800 -0.037 0.000 2.503 420 G HA2 0.389 4.349 3.960 0.000 0.000 0.257 420 G HA3 0.389 4.349 3.960 0.000 0.000 0.257 420 G C -0.405 174.459 174.900 -0.060 0.000 1.214 420 G CA -0.927 44.146 45.100 -0.047 0.000 0.839 420 G HN 0.485 nan 8.290 nan 0.000 0.559 421 R N 1.013 121.508 120.500 -0.009 0.000 2.522 421 R HA 0.109 4.449 4.340 0.000 0.000 0.284 421 R C 0.091 176.426 176.300 0.059 0.000 1.032 421 R CA -0.060 56.060 56.100 0.032 0.000 1.049 421 R CB 0.349 30.710 30.300 0.101 0.000 0.956 421 R HN 0.265 nan 8.270 nan 0.000 0.422 422 K N 2.008 122.392 120.400 -0.027 0.000 2.087 422 K HA 0.303 4.623 4.320 0.000 0.000 0.255 422 K C -0.581 175.985 176.600 -0.056 0.000 0.988 422 K CA -0.526 55.729 56.287 -0.054 0.000 0.915 422 K CB 1.909 34.307 32.500 -0.171 0.000 1.043 422 K HN 0.524 nan 8.250 nan 0.000 0.457 423 S N 1.047 116.708 115.700 -0.064 0.000 2.538 423 S HA 0.613 5.083 4.470 0.000 0.000 0.288 423 S C -0.773 173.731 174.600 -0.160 0.000 1.108 423 S CA -0.759 57.356 58.200 -0.141 0.000 0.971 423 S CB 1.582 64.684 63.200 -0.163 0.000 1.041 423 S HN 0.607 nan 8.310 nan 0.000 0.483 424 M N 2.671 122.168 119.600 -0.171 0.000 2.484 424 M HA 0.783 5.263 4.480 0.000 0.000 0.289 424 M C -2.127 174.069 176.300 -0.173 0.000 1.206 424 M CA -0.520 54.662 55.300 -0.196 0.000 0.892 424 M CB 1.891 34.373 32.600 -0.196 0.000 1.712 424 M HN 0.769 nan 8.290 nan 0.000 0.462 425 A N 2.631 125.335 122.820 -0.194 0.000 2.455 425 A HA 0.988 5.308 4.320 0.000 0.000 0.300 425 A C -1.719 175.757 177.584 -0.180 0.000 1.040 425 A CA -0.268 51.678 52.037 -0.153 0.000 0.697 425 A CB 1.667 20.598 19.000 -0.115 0.000 1.265 425 A HN 1.203 nan 8.150 nan 0.000 0.407 426 A N 1.013 123.744 122.820 -0.147 0.000 2.549 426 A HA 0.932 5.252 4.320 0.000 0.000 0.297 426 A C -0.421 177.100 177.584 -0.106 0.000 1.061 426 A CA 0.112 52.061 52.037 -0.148 0.000 0.690 426 A CB 1.441 20.334 19.000 -0.178 0.000 1.287 426 A HN 2.351 nan 8.150 nan 0.000 0.402 427 S N 0.389 116.039 115.700 -0.083 0.000 2.540 427 S HA 0.956 5.426 4.470 0.000 0.000 0.275 427 S C -0.056 174.503 174.600 -0.069 0.000 1.123 427 S CA 0.222 58.367 58.200 -0.091 0.000 0.907 427 S CB 1.313 64.434 63.200 -0.132 0.000 1.081 427 S HN 2.847 nan 8.310 nan 0.000 0.476 428 G N 1.922 110.672 108.800 -0.083 0.000 2.293 428 G HA2 0.065 4.025 3.960 0.000 0.000 0.282 428 G HA3 0.065 4.025 3.960 0.000 0.000 0.282 428 G C -1.499 173.363 174.900 -0.063 0.000 1.299 428 G CA -0.772 44.294 45.100 -0.058 0.000 1.018 428 G HN 0.958 nan 8.290 nan 0.000 0.478 429 N N 1.144 119.811 118.700 -0.055 0.000 2.415 429 N HA 0.314 5.054 4.740 0.000 0.000 0.250 429 N C 1.262 176.727 175.510 -0.075 0.000 1.127 429 N CA -0.336 52.675 53.050 -0.065 0.000 0.945 429 N CB 0.222 38.668 38.487 -0.069 0.000 1.196 429 N HN 0.482 nan 8.380 nan 0.000 0.499 430 L N 2.376 123.553 121.223 -0.077 0.000 2.645 430 L HA 0.208 4.548 4.340 0.000 0.000 0.234 430 L C 2.066 178.898 176.870 -0.065 0.000 1.165 430 L CA -0.160 54.627 54.840 -0.089 0.000 0.944 430 L CB -0.272 41.711 42.059 -0.125 0.000 1.149 430 L HN 0.529 nan 8.230 nan 0.000 0.446 431 G N -0.530 108.230 108.800 -0.066 0.000 2.475 431 G HA2 -0.251 3.709 3.960 0.000 0.000 0.220 431 G HA3 -0.251 3.709 3.960 0.000 0.000 0.220 431 G C 1.118 176.096 174.900 0.131 0.000 1.125 431 G CA 0.703 45.787 45.100 -0.027 0.000 0.755 431 G HN 0.597 nan 8.290 nan 0.000 0.565 432 H N -0.938 118.111 119.070 -0.034 0.000 2.512 432 H HA 0.214 4.770 4.556 0.000 0.000 0.276 432 H C -0.127 175.168 175.328 -0.055 0.000 1.126 432 H CA -0.487 55.543 56.048 -0.030 0.000 1.060 432 H CB 0.777 30.526 29.762 -0.021 0.000 1.646 432 H HN 0.106 nan 8.280 nan 0.000 0.571 433 T N 4.780 119.341 114.554 0.012 0.000 2.733 433 T HA 0.152 4.502 4.350 0.000 0.000 0.294 433 T C -2.156 172.444 174.700 -0.166 0.000 0.956 433 T CA -1.378 60.670 62.100 -0.086 0.000 0.987 433 T CB 1.572 70.353 68.868 -0.145 0.000 0.920 433 T HN 0.227 nan 8.240 nan 0.000 0.470 434 P HA 0.275 nan 4.420 nan 0.000 0.272 434 P C -0.671 176.523 177.300 -0.176 0.000 1.230 434 P CA -0.491 62.569 63.100 -0.067 0.000 0.788 434 P CB 0.682 32.383 31.700 0.001 0.000 0.949 435 F N -0.267 119.654 119.950 -0.047 0.000 2.380 435 F HA 0.266 4.793 4.527 0.000 0.000 0.321 435 F C 2.316 178.067 175.800 -0.082 0.000 1.103 435 F CA -0.510 57.452 58.000 -0.063 0.000 1.067 435 F CB 0.171 39.141 39.000 -0.051 0.000 1.265 435 F HN 0.194 nan 8.300 nan 0.000 0.517 436 I N 0.804 121.428 120.570 0.091 0.000 2.151 436 I HA -0.326 3.844 4.170 0.000 0.000 0.243 436 I C 1.861 177.974 176.117 -0.006 0.000 1.080 436 I CA 1.722 63.007 61.300 -0.025 0.000 1.339 436 I CB -0.390 37.577 38.000 -0.055 0.000 1.039 436 I HN 0.647 nan 8.210 nan 0.000 0.409 437 D N 0.450 120.872 120.400 0.036 0.000 2.392 437 D HA -0.169 4.471 4.640 0.000 0.000 0.228 437 D C 1.221 177.539 176.300 0.030 0.000 1.003 437 D CA 0.784 54.793 54.000 0.014 0.000 0.917 437 D CB -0.480 40.312 40.800 -0.012 0.000 0.890 437 D HN 0.477 nan 8.370 nan 0.000 0.532 438 E N -0.399 119.836 120.200 0.058 0.000 2.501 438 E HA 0.240 4.590 4.350 0.000 0.000 0.201 438 E C 0.448 177.080 176.600 0.053 0.000 1.016 438 E CA -0.246 56.190 56.400 0.061 0.000 0.920 438 E CB 0.809 30.569 29.700 0.099 0.000 1.023 438 E HN 0.305 nan 8.360 nan 0.000 0.474 439 L N 0.000 121.243 121.223 0.033 0.000 2.949 439 L HA 0.000 4.340 4.340 0.000 0.000 0.249 439 L CA 0.000 54.871 54.840 0.052 0.000 0.813 439 L CB 0.000 41.967 42.059 -0.154 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502