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 1lny_1_B DATA FIRST_RESID 27 DATA SEQUENCE AATGSRVTVV LGAQWGDEGK GKVVDLLATD ADIVSRCQGG NNAGHTVVVD DATA SEQUENCE GKEYDFHLLP SGIINTKAVS FIGNGVVIHL PGLFEEAEKN EKKGLKDWEK DATA SEQUENCE RLIISDRAHL VFDFHQAVDG LQEVQRQAQE GKNIGTTKKG IGPTYSSKAA DATA SEQUENCE RTGLRICDLL SDFDEFSARF KNLAHQHQSM FPTLEIDVEG QLKRLKGFAE DATA SEQUENCE RIRPMVRDGV YFMYEALHGP PKKVLVEGAN AALLDIDFGT YPFVTSSNCT DATA SEQUENCE VGGVCTGLGI PPQNIGDVYG VVKAYTTRVG IGAFPTEQIN EIGDLLQNRG DATA SEQUENCE HEWGVTTGRK RRCGWLDLMI LRYAHMVNGF TALALTKLDI LDVLSEIKVG DATA SEQUENCE ISYKLNGKRI PYFPANQEIL QKVEVEYETL PGWKADTTGA RKWEDLPPQA DATA SEQUENCE QSYVRFVENH MGVAVKWVGV GKSRESMIQL F VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 A HA 0.000 nan 4.320 nan 0.000 0.244 27 A C 0.000 177.571 177.584 -0.022 0.000 1.274 27 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 27 A CB 0.000 18.983 19.000 -0.029 0.000 0.831 28 A N -0.045 122.778 122.820 0.005 0.000 1.968 28 A HA 0.098 4.419 4.320 0.001 0.000 0.217 28 A C 2.063 179.690 177.584 0.072 0.000 1.169 28 A CA 2.575 54.643 52.037 0.053 0.000 0.638 28 A CB -0.800 18.231 19.000 0.051 0.000 0.812 28 A HN 0.414 nan 8.150 nan 0.000 0.446 29 T N -0.647 113.905 114.554 -0.004 0.000 2.614 29 T HA 0.345 4.696 4.350 0.001 0.000 0.263 29 T C 1.199 175.734 174.700 -0.274 0.000 1.055 29 T CA 1.823 63.896 62.100 -0.044 0.000 1.162 29 T CB -0.630 68.200 68.868 -0.062 0.000 0.863 29 T HN 1.639 nan 8.240 nan 0.000 0.414 30 G N 0.625 109.222 108.800 -0.338 0.000 2.525 30 G HA2 0.045 4.006 3.960 0.001 0.000 0.685 30 G HA3 0.045 4.006 3.960 0.001 0.000 0.685 30 G C -0.128 174.567 174.900 -0.342 0.000 1.290 30 G CA -0.413 44.356 45.100 -0.551 0.000 0.915 30 G HN 0.920 nan 8.290 nan 0.000 0.548 31 S N -0.596 114.916 115.700 -0.313 0.000 2.580 31 S HA 0.590 5.060 4.470 0.001 0.000 0.266 31 S C 0.467 174.964 174.600 -0.170 0.000 1.354 31 S CA 0.327 58.408 58.200 -0.198 0.000 1.008 31 S CB 0.922 64.020 63.200 -0.171 0.000 0.898 31 S HN 0.829 nan 8.310 nan 0.000 0.555 32 R N 0.134 120.565 120.500 -0.114 0.000 2.589 32 R HA 0.607 4.947 4.340 0.001 0.000 0.293 32 R C -0.393 175.866 176.300 -0.069 0.000 0.963 32 R CA -0.991 55.057 56.100 -0.087 0.000 0.905 32 R CB 1.687 31.944 30.300 -0.071 0.000 1.144 32 R HN 0.682 nan 8.270 nan 0.000 0.459 33 V N -0.671 119.211 119.914 -0.054 0.000 2.785 33 V HA 0.453 4.574 4.120 0.001 0.000 0.300 33 V C 0.048 176.113 176.094 -0.049 0.000 1.062 33 V CA -0.396 61.881 62.300 -0.037 0.000 1.029 33 V CB 1.647 33.464 31.823 -0.011 0.000 1.024 33 V HN 0.636 nan 8.190 nan 0.000 0.477 34 T N 3.566 118.094 114.554 -0.042 0.000 2.837 34 T HA 0.648 4.999 4.350 0.001 0.000 0.285 34 T C -0.281 174.383 174.700 -0.061 0.000 0.984 34 T CA -0.281 61.769 62.100 -0.084 0.000 1.049 34 T CB 1.332 70.184 68.868 -0.027 0.000 0.947 34 T HN 0.749 nan 8.240 nan 0.000 0.472 35 V N 3.276 123.123 119.914 -0.111 0.000 2.680 35 V HA 0.563 4.684 4.120 0.001 0.000 0.309 35 V C -0.384 175.721 176.094 0.018 0.000 1.052 35 V CA -0.854 61.429 62.300 -0.028 0.000 0.908 35 V CB 2.088 33.905 31.823 -0.011 0.000 1.001 35 V HN 0.660 nan 8.190 nan 0.000 0.431 36 V N 5.810 125.765 119.914 0.067 0.000 2.350 36 V HA 0.526 4.647 4.120 0.001 0.000 0.285 36 V C -0.324 175.817 176.094 0.078 0.000 1.014 36 V CA -0.243 62.114 62.300 0.095 0.000 0.831 36 V CB 1.278 33.129 31.823 0.046 0.000 1.000 36 V HN 0.639 nan 8.190 nan 0.000 0.433 37 L N 3.227 124.516 121.223 0.111 0.000 2.323 37 L HA 0.804 5.145 4.340 0.001 0.000 0.265 37 L C 0.756 177.668 176.870 0.069 0.000 1.012 37 L CA -0.796 54.117 54.840 0.121 0.000 0.820 37 L CB 2.023 44.218 42.059 0.227 0.000 1.334 37 L HN 0.682 nan 8.230 nan 0.000 0.427 38 G N -0.195 108.644 108.800 0.065 0.000 2.339 38 G HA2 0.451 4.412 3.960 0.001 0.000 0.287 38 G HA3 0.451 4.412 3.960 0.001 0.000 0.287 38 G C 0.431 175.363 174.900 0.054 0.000 1.163 38 G CA 0.120 45.234 45.100 0.023 0.000 0.872 38 G HN 0.812 nan 8.290 nan 0.000 0.464 39 A N 2.256 125.068 122.820 -0.013 0.000 2.195 39 A HA 0.275 4.596 4.320 0.001 0.000 0.210 39 A C 1.439 178.990 177.584 -0.055 0.000 1.165 39 A CA 0.817 52.867 52.037 0.021 0.000 0.806 39 A CB 0.187 19.108 19.000 -0.133 0.000 0.847 39 A HN 0.655 nan 8.150 nan 0.000 0.482 40 Q N -2.439 117.302 119.800 -0.099 0.000 3.079 40 Q HA 0.260 4.600 4.340 0.001 0.000 0.206 40 Q C -0.235 175.617 176.000 -0.247 0.000 1.168 40 Q CA -0.560 55.106 55.803 -0.227 0.000 0.338 40 Q CB 0.391 29.066 28.738 -0.105 0.000 5.762 40 Q HN 0.609 nan 8.270 nan 0.000 0.302 41 W N 1.292 122.577 121.300 -0.026 0.000 2.764 41 W HA 0.501 5.162 4.660 0.001 0.000 0.427 41 W C -0.015 176.494 176.519 -0.016 0.000 0.896 41 W CA 0.702 58.031 57.345 -0.027 0.000 2.307 41 W CB 0.317 29.716 29.460 -0.102 0.000 1.192 41 W HN 0.739 nan 8.180 nan 0.000 0.731 42 G N 1.359 110.251 108.800 0.153 0.000 2.712 42 G HA2 -0.216 3.745 3.960 0.001 0.000 0.683 42 G HA3 -0.216 3.745 3.960 0.001 0.000 0.683 42 G C 0.016 174.950 174.900 0.055 0.000 1.320 42 G CA -0.501 44.663 45.100 0.106 0.000 0.847 42 G HN 0.133 nan 8.290 nan 0.000 0.553 43 D N -0.783 119.639 120.400 0.036 0.000 2.737 43 D HA -0.160 4.481 4.640 0.001 0.000 0.233 43 D C 1.140 177.408 176.300 -0.053 0.000 1.155 43 D CA 1.686 55.685 54.000 -0.002 0.000 0.667 43 D CB -0.669 40.143 40.800 0.020 0.000 1.060 43 D HN 0.746 nan 8.370 nan 0.000 0.427 44 E N -0.338 119.818 120.200 -0.073 0.000 2.371 44 E HA 0.262 4.613 4.350 0.001 0.000 0.194 44 E C 1.737 178.269 176.600 -0.114 0.000 1.012 44 E CA 0.871 57.210 56.400 -0.101 0.000 0.860 44 E CB 0.308 29.953 29.700 -0.091 0.000 0.811 44 E HN 0.500 nan 8.360 nan 0.000 0.502 45 G N 0.728 109.451 108.800 -0.127 0.000 2.157 45 G HA2 -0.209 3.751 3.960 0.001 0.000 0.118 45 G HA3 -0.209 3.751 3.960 0.001 0.000 0.118 45 G C 0.623 175.422 174.900 -0.168 0.000 1.032 45 G CA 0.062 45.084 45.100 -0.129 0.000 0.697 45 G HN 0.118 nan 8.290 nan 0.000 0.495 46 K N 0.066 120.322 120.400 -0.239 0.000 2.097 46 K HA -0.020 4.300 4.320 0.001 0.000 0.206 46 K C 2.716 179.164 176.600 -0.254 0.000 1.049 46 K CA 1.381 57.502 56.287 -0.277 0.000 0.933 46 K CB -0.177 32.076 32.500 -0.411 0.000 0.717 46 K HN 0.399 nan 8.250 nan 0.000 0.442 47 G N 2.071 110.710 108.800 -0.267 0.000 2.421 47 G HA2 -0.303 3.658 3.960 0.001 0.000 0.216 47 G HA3 -0.303 3.658 3.960 0.001 0.000 0.216 47 G C 1.448 176.324 174.900 -0.040 0.000 1.171 47 G CA 0.896 45.958 45.100 -0.062 0.000 0.775 47 G HN 0.256 nan 8.290 nan 0.000 0.543 48 K N 0.081 120.438 120.400 -0.073 0.000 2.026 48 K HA -0.053 4.267 4.320 0.001 0.000 0.208 48 K C 2.541 179.054 176.600 -0.146 0.000 1.048 48 K CA 1.499 57.739 56.287 -0.080 0.000 0.929 48 K CB -0.300 32.150 32.500 -0.083 0.000 0.713 48 K HN 0.179 nan 8.250 nan 0.000 0.439 49 V N 0.911 120.709 119.914 -0.194 0.000 2.307 49 V HA -0.213 3.907 4.120 0.001 0.000 0.245 49 V C 2.396 178.333 176.094 -0.263 0.000 1.045 49 V CA 1.492 63.609 62.300 -0.304 0.000 1.024 49 V CB -0.177 31.468 31.823 -0.298 0.000 0.651 49 V HN 0.179 nan 8.190 nan 0.000 0.449 50 V N 0.774 120.593 119.914 -0.157 0.000 2.332 50 V HA -0.341 3.779 4.120 0.001 0.000 0.248 50 V C 2.324 178.359 176.094 -0.099 0.000 1.055 50 V CA 2.557 64.795 62.300 -0.104 0.000 1.038 50 V CB -0.758 31.036 31.823 -0.049 0.000 0.651 50 V HN 0.738 nan 8.190 nan 0.000 0.450 51 D N -0.287 120.066 120.400 -0.078 0.000 2.123 51 D HA -0.232 4.408 4.640 0.001 0.000 0.196 51 D C 2.003 178.253 176.300 -0.084 0.000 0.992 51 D CA 1.596 55.564 54.000 -0.053 0.000 0.833 51 D CB -0.140 40.660 40.800 -0.001 0.000 0.954 51 D HN 0.299 nan 8.370 nan 0.000 0.455 52 L N 0.175 121.310 121.223 -0.147 0.000 2.017 52 L HA -0.045 4.296 4.340 0.001 0.000 0.208 52 L C 1.971 178.739 176.870 -0.170 0.000 1.073 52 L CA 1.600 56.330 54.840 -0.182 0.000 0.745 52 L CB -0.446 41.417 42.059 -0.326 0.000 0.894 52 L HN 0.240 nan 8.230 nan 0.000 0.432 53 L N -0.702 120.396 121.223 -0.209 0.000 2.478 53 L HA 0.023 4.364 4.340 0.001 0.000 0.223 53 L C 2.316 179.156 176.870 -0.050 0.000 1.140 53 L CA 0.643 55.408 54.840 -0.125 0.000 0.842 53 L CB -0.755 41.227 42.059 -0.128 0.000 0.953 53 L HN 0.366 nan 8.230 nan 0.000 0.452 54 A N -0.004 122.783 122.820 -0.055 0.000 2.178 54 A HA -0.061 4.259 4.320 0.001 0.000 0.211 54 A C 2.295 179.866 177.584 -0.023 0.000 1.157 54 A CA 1.058 53.075 52.037 -0.033 0.000 0.780 54 A CB -0.579 18.395 19.000 -0.043 0.000 0.828 54 A HN 0.462 nan 8.150 nan 0.000 0.476 55 T N -0.843 113.696 114.554 -0.024 0.000 2.869 55 T HA -0.192 4.159 4.350 0.001 0.000 0.270 55 T C 0.894 175.593 174.700 -0.001 0.000 1.082 55 T CA 1.625 63.719 62.100 -0.010 0.000 1.123 55 T CB -0.313 68.551 68.868 -0.007 0.000 0.856 55 T HN 0.614 nan 8.240 nan 0.000 0.499 56 D N 0.225 120.626 120.400 0.002 0.000 2.620 56 D HA 0.432 5.072 4.640 0.001 0.000 0.260 56 D C 0.115 176.418 176.300 0.005 0.000 1.367 56 D CA -0.447 53.556 54.000 0.006 0.000 0.805 56 D CB -0.208 40.599 40.800 0.012 0.000 1.096 56 D HN 0.555 nan 8.370 nan 0.000 0.488 57 A N 0.282 123.104 122.820 0.002 0.000 2.316 57 A HA 0.375 4.695 4.320 0.001 0.000 0.284 57 A C 0.757 178.343 177.584 0.003 0.000 1.115 57 A CA -0.398 51.642 52.037 0.004 0.000 0.812 57 A CB 0.818 19.821 19.000 0.006 0.000 1.064 57 A HN 0.014 nan 8.150 nan 0.000 0.489 58 D N 0.460 120.859 120.400 -0.001 0.000 2.216 58 D HA 0.127 4.767 4.640 0.001 0.000 0.208 58 D C 0.093 176.405 176.300 0.020 0.000 0.960 58 D CA 1.453 55.451 54.000 -0.003 0.000 0.861 58 D CB 0.251 41.034 40.800 -0.028 0.000 0.985 58 D HN 0.512 nan 8.370 nan 0.000 0.493 59 I N 0.974 121.561 120.570 0.029 0.000 2.569 59 I HA 0.204 4.375 4.170 0.001 0.000 0.290 59 I C -1.058 175.108 176.117 0.082 0.000 1.088 59 I CA -0.733 60.615 61.300 0.081 0.000 1.047 59 I CB 3.162 41.215 38.000 0.089 0.000 1.237 59 I HN -0.391 nan 8.210 nan 0.000 0.421 60 V N 4.636 124.608 119.914 0.096 0.000 2.487 60 V HA 0.666 4.787 4.120 0.001 0.000 0.298 60 V C -0.210 175.952 176.094 0.112 0.000 1.028 60 V CA -0.378 61.964 62.300 0.069 0.000 0.860 60 V CB 1.866 33.693 31.823 0.008 0.000 0.991 60 V HN 0.894 nan 8.190 nan 0.000 0.427 61 S N 4.974 120.748 115.700 0.124 0.000 2.618 61 S HA 0.768 5.238 4.470 0.001 0.000 0.277 61 S C -1.073 173.567 174.600 0.066 0.000 1.138 61 S CA -1.189 57.097 58.200 0.143 0.000 0.844 61 S CB 2.636 66.052 63.200 0.360 0.000 1.127 61 S HN 0.511 nan 8.310 nan 0.000 0.474 62 R N 0.171 120.669 120.500 -0.004 0.000 2.514 62 R HA 0.515 4.856 4.340 0.001 0.000 0.301 62 R C 0.354 176.639 176.300 -0.024 0.000 0.962 62 R CA -0.347 55.742 56.100 -0.017 0.000 0.882 62 R CB 1.292 31.553 30.300 -0.066 0.000 1.143 62 R HN 1.028 nan 8.270 nan 0.000 0.452 63 C N -0.684 118.630 119.300 0.024 0.000 3.364 63 C HA 0.383 4.844 4.460 0.001 0.000 0.340 63 C C 0.223 175.241 174.990 0.045 0.000 1.336 63 C CA -0.273 58.768 59.018 0.039 0.000 1.778 63 C CB 0.597 28.381 27.740 0.074 0.000 2.398 63 C HN 0.519 nan 8.230 nan 0.000 0.667 64 Q N 0.288 120.121 119.800 0.054 0.000 2.648 64 Q HA 0.562 4.902 4.340 0.001 0.000 0.300 64 Q C 0.112 176.174 176.000 0.104 0.000 0.954 64 Q CA 0.663 56.520 55.803 0.091 0.000 0.757 64 Q CB 1.424 30.203 28.738 0.069 0.000 1.482 64 Q HN 0.917 nan 8.270 nan 0.000 0.437 65 G N -0.627 108.287 108.800 0.191 0.000 2.693 65 G HA2 0.093 4.053 3.960 0.001 0.000 0.226 65 G HA3 0.093 4.053 3.960 0.001 0.000 0.226 65 G C -0.115 174.849 174.900 0.107 0.000 1.354 65 G CA 0.034 45.242 45.100 0.180 0.000 0.873 65 G HN 1.012 nan 8.290 nan 0.000 0.562 66 G N -1.692 107.143 108.800 0.058 0.000 3.003 66 G HA2 0.649 4.610 3.960 0.001 0.000 0.243 66 G HA3 0.649 4.610 3.960 0.001 0.000 0.243 66 G C 0.598 175.492 174.900 -0.010 0.000 1.176 66 G CA 0.481 45.575 45.100 -0.010 0.000 0.812 66 G HN 1.638 nan 8.290 nan 0.000 0.584 67 N N 0.216 118.908 118.700 -0.014 0.000 2.362 67 N HA -0.012 4.729 4.740 0.001 0.000 0.211 67 N C 0.884 176.416 175.510 0.036 0.000 1.170 67 N CA 0.309 53.373 53.050 0.023 0.000 0.828 67 N CB -0.085 38.395 38.487 -0.012 0.000 1.034 67 N HN 0.359 nan 8.380 nan 0.000 0.475 68 N N 0.741 119.462 118.700 0.035 0.000 2.446 68 N HA -0.039 4.702 4.740 0.001 0.000 0.179 68 N C 0.374 175.938 175.510 0.090 0.000 1.054 68 N CA 0.099 53.178 53.050 0.050 0.000 0.905 68 N CB -0.047 38.471 38.487 0.051 0.000 0.973 68 N HN 0.295 nan 8.380 nan 0.000 0.448 69 A N -0.106 122.757 122.820 0.072 0.000 2.302 69 A HA 0.706 5.027 4.320 0.001 0.000 0.285 69 A C 0.340 177.938 177.584 0.024 0.000 1.105 69 A CA -0.097 51.959 52.037 0.032 0.000 0.816 69 A CB 0.524 19.462 19.000 -0.103 0.000 1.067 69 A HN 0.326 nan 8.150 nan 0.000 0.489 70 G N 0.539 109.348 108.800 0.015 0.000 2.737 70 G HA2 0.568 4.529 3.960 0.001 0.000 0.290 70 G HA3 0.568 4.529 3.960 0.001 0.000 0.290 70 G C -1.150 173.825 174.900 0.125 0.000 1.482 70 G CA -0.359 44.677 45.100 -0.106 0.000 1.017 70 G HN 0.822 nan 8.290 nan 0.000 0.529 71 H N 1.758 120.717 119.070 -0.185 0.000 2.708 71 H HA 0.347 4.903 4.556 0.001 0.000 0.320 71 H C -0.341 174.949 175.328 -0.064 0.000 0.991 71 H CA -0.764 55.247 56.048 -0.063 0.000 1.243 71 H CB 1.811 31.583 29.762 0.016 0.000 1.446 71 H HN 0.368 nan 8.280 nan 0.000 0.502 72 T N 3.730 118.315 114.554 0.051 0.000 2.817 72 T HA 0.263 4.614 4.350 0.001 0.000 0.293 72 T C 0.179 174.904 174.700 0.041 0.000 0.964 72 T CA -0.488 61.610 62.100 -0.004 0.000 1.085 72 T CB 0.940 69.797 68.868 -0.020 0.000 0.921 72 T HN 0.188 nan 8.240 nan 0.000 0.502 73 V N 3.918 123.871 119.914 0.064 0.000 2.588 73 V HA 0.511 4.631 4.120 0.001 0.000 0.304 73 V C -0.474 175.708 176.094 0.147 0.000 1.042 73 V CA -0.797 61.592 62.300 0.147 0.000 0.877 73 V CB 2.147 34.154 31.823 0.307 0.000 0.996 73 V HN 0.687 nan 8.190 nan 0.000 0.425 74 V N 5.291 125.268 119.914 0.105 0.000 2.443 74 V HA 0.624 4.744 4.120 0.001 0.000 0.293 74 V C -0.636 175.514 176.094 0.093 0.000 1.021 74 V CA -0.451 61.892 62.300 0.072 0.000 0.848 74 V CB 1.870 33.706 31.823 0.022 0.000 0.998 74 V HN 0.620 nan 8.190 nan 0.000 0.424 75 V N 3.385 123.377 119.914 0.129 0.000 2.668 75 V HA 0.500 4.620 4.120 0.001 0.000 0.304 75 V C -0.388 175.766 176.094 0.101 0.000 1.071 75 V CA -0.799 61.578 62.300 0.128 0.000 0.894 75 V CB 1.874 33.811 31.823 0.191 0.000 1.008 75 V HN 0.927 nan 8.190 nan 0.000 0.425 76 D N 3.856 124.296 120.400 0.065 0.000 2.737 76 D HA -0.173 4.467 4.640 0.001 0.000 0.238 76 D C 1.304 177.619 176.300 0.025 0.000 1.157 76 D CA 1.497 55.527 54.000 0.049 0.000 0.694 76 D CB -0.793 40.046 40.800 0.065 0.000 1.021 76 D HN 1.548 nan 8.370 nan 0.000 0.420 77 G N -0.088 108.719 108.800 0.011 0.000 2.269 77 G HA2 -0.367 3.594 3.960 0.001 0.000 0.277 77 G HA3 -0.367 3.594 3.960 0.001 0.000 0.277 77 G C 0.312 175.185 174.900 -0.046 0.000 1.008 77 G CA 1.155 46.250 45.100 -0.009 0.000 0.774 77 G HN 0.512 nan 8.290 nan 0.000 0.511 78 K N 0.271 120.627 120.400 -0.073 0.000 2.463 78 K HA 0.569 4.889 4.320 0.001 0.000 0.255 78 K C -0.445 175.958 176.600 -0.327 0.000 0.942 78 K CA -0.808 55.350 56.287 -0.215 0.000 0.814 78 K CB 1.232 33.605 32.500 -0.211 0.000 1.122 78 K HN 0.268 nan 8.250 nan 0.000 0.425 79 E N 3.813 123.784 120.200 -0.382 0.000 2.151 79 E HA 0.273 4.623 4.350 0.001 0.000 0.275 79 E C -1.113 175.191 176.600 -0.492 0.000 0.936 79 E CA -0.638 55.573 56.400 -0.314 0.000 0.777 79 E CB 0.596 30.204 29.700 -0.152 0.000 1.108 79 E HN 0.479 nan 8.360 nan 0.000 0.401 80 Y N 2.054 122.243 120.300 -0.184 0.000 2.496 80 Y HA 0.360 4.911 4.550 0.001 0.000 0.331 80 Y C -0.288 175.270 175.900 -0.570 0.000 1.140 80 Y CA -0.939 56.903 58.100 -0.430 0.000 1.166 80 Y CB 1.685 39.807 38.460 -0.563 0.000 1.249 80 Y HN 0.499 nan 8.280 nan 0.000 0.479 81 D N 1.241 121.290 120.400 -0.585 0.000 2.421 81 D HA 0.370 5.011 4.640 0.001 0.000 0.254 81 D C -1.717 174.210 176.300 -0.621 0.000 1.238 81 D CA -0.221 53.503 54.000 -0.460 0.000 0.919 81 D CB 0.240 40.946 40.800 -0.157 0.000 1.152 81 D HN 0.149 nan 8.370 nan 0.000 0.552 82 F N 1.862 121.676 119.950 -0.228 0.000 2.432 82 F HA 0.491 5.019 4.527 0.001 0.000 0.329 82 F C 1.462 176.848 175.800 -0.690 0.000 1.076 82 F CA -0.553 57.265 58.000 -0.304 0.000 1.018 82 F CB 1.455 40.357 39.000 -0.163 0.000 1.201 82 F HN 0.437 nan 8.300 nan 0.000 0.489 83 H N 0.678 119.772 119.070 0.039 0.000 1.955 83 H HA 0.275 4.832 4.556 0.001 0.000 0.196 83 H C 1.468 176.713 175.328 -0.139 0.000 0.891 83 H CA 0.366 56.352 56.048 -0.103 0.000 1.001 83 H CB 0.675 30.394 29.762 -0.072 0.000 1.195 83 H HN 0.464 nan 8.280 nan 0.000 0.384 84 L N 1.135 122.367 121.223 0.014 0.000 2.425 84 L HA 0.215 4.555 4.340 0.001 0.000 0.215 84 L C 0.299 177.087 176.870 -0.135 0.000 1.065 84 L CA 0.159 54.946 54.840 -0.087 0.000 0.842 84 L CB 0.468 42.452 42.059 -0.124 0.000 1.033 84 L HN -0.088 nan 8.230 nan 0.000 0.474 85 L N 1.361 122.503 121.223 -0.134 0.000 2.367 85 L HA 0.181 4.522 4.340 0.001 0.000 0.275 85 L C -2.116 174.587 176.870 -0.278 0.000 1.129 85 L CA -1.798 52.909 54.840 -0.222 0.000 0.839 85 L CB 0.114 42.013 42.059 -0.267 0.000 1.133 85 L HN -0.227 nan 8.230 nan 0.000 0.453 86 P HA 0.048 nan 4.420 nan 0.000 0.269 86 P C 0.281 177.331 177.300 -0.416 0.000 1.209 86 P CA 0.063 63.033 63.100 -0.218 0.000 0.776 86 P CB 0.805 32.427 31.700 -0.129 0.000 0.876 87 S N 2.143 117.679 115.700 -0.274 0.000 2.419 87 S HA -0.118 4.352 4.470 0.001 0.000 0.235 87 S C 2.045 176.413 174.600 -0.387 0.000 1.019 87 S CA 1.640 59.633 58.200 -0.345 0.000 0.982 87 S CB -0.923 62.291 63.200 0.023 0.000 0.789 87 S HN 0.758 nan 8.310 nan 0.000 0.490 88 G N 0.860 109.511 108.800 -0.249 0.000 2.776 88 G HA2 -0.079 3.881 3.960 0.001 0.000 0.209 88 G HA3 -0.079 3.881 3.960 0.001 0.000 0.209 88 G C 1.140 175.908 174.900 -0.219 0.000 1.145 88 G CA -0.029 44.964 45.100 -0.178 0.000 0.791 88 G HN 0.469 nan 8.290 nan 0.000 0.530 89 I N 0.882 121.230 120.570 -0.369 0.000 2.623 89 I HA -0.158 4.012 4.170 0.001 0.000 0.261 89 I C 2.112 178.097 176.117 -0.219 0.000 1.204 89 I CA 0.581 61.704 61.300 -0.295 0.000 1.444 89 I CB 0.051 37.792 38.000 -0.431 0.000 1.094 89 I HN 0.071 nan 8.210 nan 0.000 0.451 90 I N 0.107 120.516 120.570 -0.269 0.000 2.315 90 I HA -0.189 3.982 4.170 0.001 0.000 0.248 90 I C 1.137 177.202 176.117 -0.087 0.000 1.117 90 I CA 0.746 61.930 61.300 -0.193 0.000 1.404 90 I CB -1.567 36.312 38.000 -0.202 0.000 1.071 90 I HN 0.300 nan 8.210 nan 0.000 0.419 91 N N 2.052 120.709 118.700 -0.073 0.000 2.406 91 N HA -0.056 4.684 4.740 0.001 0.000 0.265 91 N C 1.260 176.763 175.510 -0.012 0.000 1.203 91 N CA 0.439 53.471 53.050 -0.030 0.000 0.945 91 N CB 0.754 39.224 38.487 -0.028 0.000 1.165 91 N HN 0.261 nan 8.380 nan 0.000 0.485 92 T N 0.710 115.267 114.554 0.005 0.000 3.072 92 T HA -0.139 4.212 4.350 0.001 0.000 0.266 92 T C 1.172 175.883 174.700 0.019 0.000 1.127 92 T CA 0.955 63.066 62.100 0.019 0.000 1.107 92 T CB -0.046 68.838 68.868 0.027 0.000 0.910 92 T HN 0.563 nan 8.240 nan 0.000 0.513 93 K N 0.943 121.352 120.400 0.014 0.000 2.372 93 K HA 0.659 4.980 4.320 0.001 0.000 0.200 93 K C 0.374 176.984 176.600 0.016 0.000 1.022 93 K CA -0.310 55.986 56.287 0.014 0.000 1.125 93 K CB 0.322 32.828 32.500 0.011 0.000 0.855 93 K HN 0.342 nan 8.250 nan 0.000 0.524 94 A N 0.311 123.141 122.820 0.017 0.000 2.356 94 A HA 0.687 5.007 4.320 0.001 0.000 0.323 94 A C -1.031 176.580 177.584 0.044 0.000 1.119 94 A CA -0.814 51.237 52.037 0.024 0.000 0.790 94 A CB 1.619 20.626 19.000 0.011 0.000 1.273 94 A HN 0.027 nan 8.150 nan 0.000 0.452 95 V N 1.712 121.671 119.914 0.075 0.000 2.394 95 V HA 0.380 4.500 4.120 0.001 0.000 0.282 95 V C 0.289 176.461 176.094 0.131 0.000 1.031 95 V CA -0.223 62.148 62.300 0.118 0.000 0.881 95 V CB 1.498 33.436 31.823 0.192 0.000 0.982 95 V HN 0.880 nan 8.190 nan 0.000 0.451 96 S N 5.328 121.088 115.700 0.099 0.000 2.499 96 S HA 0.626 5.097 4.470 0.001 0.000 0.279 96 S C -0.743 173.940 174.600 0.139 0.000 1.219 96 S CA -0.242 58.004 58.200 0.077 0.000 1.062 96 S CB 0.684 63.877 63.200 -0.011 0.000 0.978 96 S HN 0.541 nan 8.310 nan 0.000 0.489 97 F N 3.470 123.391 119.950 -0.049 0.000 2.529 97 F HA 0.604 5.132 4.527 0.002 0.000 0.320 97 F C -1.163 174.585 175.800 -0.088 0.000 1.118 97 F CA -1.138 56.794 58.000 -0.114 0.000 0.915 97 F CB 0.802 39.751 39.000 -0.085 0.000 1.161 97 F HN 0.421 nan 8.300 nan 0.000 0.445 98 I N 5.931 125.967 120.570 -0.891 0.000 2.328 98 I HA 0.376 4.546 4.170 0.001 0.000 0.287 98 I C 0.744 176.208 176.117 -1.089 0.000 1.012 98 I CA -0.584 60.284 61.300 -0.720 0.000 1.195 98 I CB 0.985 38.743 38.000 -0.404 0.000 1.350 98 I HN 0.774 nan 8.210 nan 0.000 0.464 99 G N 4.438 112.770 108.800 -0.781 0.000 2.621 99 G HA2 0.002 3.963 3.960 0.001 0.000 0.271 99 G HA3 0.002 3.963 3.960 0.001 0.000 0.271 99 G C 0.993 175.778 174.900 -0.191 0.000 1.236 99 G CA -0.529 44.295 45.100 -0.460 0.000 0.958 99 G HN 0.787 nan 8.290 nan 0.000 0.512 100 N N -0.361 118.324 118.700 -0.025 0.000 2.364 100 N HA -0.094 4.647 4.740 0.001 0.000 0.183 100 N C 1.819 177.356 175.510 0.045 0.000 1.022 100 N CA 1.175 54.245 53.050 0.034 0.000 0.883 100 N CB -0.140 38.405 38.487 0.097 0.000 0.965 100 N HN 0.497 nan 8.380 nan 0.000 0.438 101 G N 0.830 109.656 108.800 0.042 0.000 2.623 101 G HA2 0.091 4.051 3.960 0.001 0.000 0.214 101 G HA3 0.091 4.051 3.960 0.001 0.000 0.214 101 G C 0.607 175.559 174.900 0.086 0.000 1.138 101 G CA -0.106 45.042 45.100 0.079 0.000 0.794 101 G HN 0.163 nan 8.290 nan 0.000 0.535 102 V N 1.157 121.074 119.914 0.004 0.000 2.775 102 V HA 0.328 4.449 4.120 0.001 0.000 0.299 102 V C 0.417 176.449 176.094 -0.103 0.000 1.062 102 V CA -0.699 61.583 62.300 -0.029 0.000 1.063 102 V CB 1.552 33.320 31.823 -0.092 0.000 0.994 102 V HN 0.193 nan 8.190 nan 0.000 0.483 103 V N 3.527 123.342 119.914 -0.165 0.000 2.370 103 V HA 0.627 4.747 4.120 0.001 0.000 0.283 103 V C -0.419 175.560 176.094 -0.192 0.000 1.023 103 V CA -0.562 61.578 62.300 -0.267 0.000 0.857 103 V CB 1.091 32.608 31.823 -0.511 0.000 0.985 103 V HN 0.619 nan 8.190 nan 0.000 0.443 104 I N 5.085 125.542 120.570 -0.188 0.000 2.336 104 I HA 0.411 4.581 4.170 0.001 0.000 0.292 104 I C -0.029 175.991 176.117 -0.163 0.000 0.991 104 I CA -0.399 60.797 61.300 -0.174 0.000 1.227 104 I CB 1.212 39.100 38.000 -0.187 0.000 1.366 104 I HN 0.773 nan 8.210 nan 0.000 0.466 105 H N 7.256 126.189 119.070 -0.229 0.000 2.623 105 H HA 0.305 4.862 4.556 0.001 0.000 0.299 105 H C 0.548 175.721 175.328 -0.258 0.000 1.052 105 H CA -0.551 55.366 56.048 -0.217 0.000 1.231 105 H CB 1.238 30.901 29.762 -0.165 0.000 1.389 105 H HN 0.697 nan 8.280 nan 0.000 0.469 106 L N 5.495 126.345 121.223 -0.622 0.000 2.013 106 L HA -0.150 4.191 4.340 0.001 0.000 0.212 106 L C -0.715 175.621 176.870 -0.890 0.000 1.073 106 L CA 1.195 55.575 54.840 -0.767 0.000 0.753 106 L CB -1.516 39.999 42.059 -0.907 0.000 0.890 106 L HN 0.510 nan 8.230 nan 0.000 0.432 107 P HA -0.140 nan 4.420 nan 0.000 0.215 107 P C 1.616 178.808 177.300 -0.181 0.000 1.157 107 P CA 1.783 64.643 63.100 -0.400 0.000 0.868 107 P CB -0.200 31.392 31.700 -0.180 0.000 0.788 108 G N 0.074 108.760 108.800 -0.191 0.000 2.418 108 G HA2 -0.262 3.699 3.960 0.001 0.000 0.217 108 G HA3 -0.262 3.699 3.960 0.001 0.000 0.217 108 G C 1.467 176.295 174.900 -0.121 0.000 1.158 108 G CA 0.709 45.810 45.100 0.002 0.000 0.771 108 G HN 0.209 nan 8.290 nan 0.000 0.545 109 L N 0.044 121.116 121.223 -0.252 0.000 1.971 109 L HA -0.006 4.334 4.340 0.001 0.000 0.215 109 L C 2.572 179.197 176.870 -0.410 0.000 1.072 109 L CA 1.868 56.478 54.840 -0.383 0.000 0.758 109 L CB -0.945 40.764 42.059 -0.584 0.000 0.889 109 L HN 0.235 nan 8.230 nan 0.000 0.433 110 F N -0.118 119.740 119.950 -0.153 0.000 2.293 110 F HA -0.115 4.413 4.527 0.000 0.000 0.300 110 F C 2.581 178.359 175.800 -0.037 0.000 1.086 110 F CA 1.350 59.321 58.000 -0.049 0.000 1.375 110 F CB -0.405 38.655 39.000 0.101 0.000 1.045 110 F HN 0.303 nan 8.300 nan 0.000 0.516 111 E N 0.628 120.893 120.200 0.109 0.000 2.106 111 E HA -0.250 4.100 4.350 0.001 0.000 0.192 111 E C 2.182 178.788 176.600 0.010 0.000 0.984 111 E CA 1.137 57.581 56.400 0.074 0.000 0.806 111 E CB -0.095 29.637 29.700 0.054 0.000 0.750 111 E HN 0.525 nan 8.360 nan 0.000 0.458 112 E N -0.114 120.057 120.200 -0.048 0.000 2.072 112 E HA -0.187 4.163 4.350 0.001 0.000 0.191 112 E C 1.917 178.451 176.600 -0.110 0.000 0.985 112 E CA 0.903 57.276 56.400 -0.046 0.000 0.801 112 E CB -0.094 29.589 29.700 -0.029 0.000 0.750 112 E HN 0.304 nan 8.360 nan 0.000 0.452 113 A N 1.367 124.026 122.820 -0.269 0.000 1.877 113 A HA -0.215 4.106 4.320 0.001 0.000 0.216 113 A C 1.910 179.382 177.584 -0.187 0.000 1.186 113 A CA 1.674 53.394 52.037 -0.528 0.000 0.620 113 A CB -0.510 17.827 19.000 -1.106 0.000 0.822 113 A HN 0.335 nan 8.150 nan 0.000 0.443 114 E N -0.130 120.073 120.200 0.007 0.000 2.150 114 E HA -0.157 4.193 4.350 0.001 0.000 0.193 114 E C 1.959 178.601 176.600 0.070 0.000 0.985 114 E CA 1.054 57.516 56.400 0.104 0.000 0.814 114 E CB -0.144 29.640 29.700 0.141 0.000 0.752 114 E HN 0.574 nan 8.360 nan 0.000 0.466 115 K N 0.688 121.110 120.400 0.038 0.000 2.097 115 K HA -0.068 4.252 4.320 0.001 0.000 0.206 115 K C 1.803 178.432 176.600 0.048 0.000 1.049 115 K CA 0.888 57.197 56.287 0.037 0.000 0.933 115 K CB -0.013 32.500 32.500 0.023 0.000 0.717 115 K HN 0.071 nan 8.250 nan 0.000 0.442 116 N N 0.951 119.681 118.700 0.050 0.000 2.409 116 N HA -0.087 4.654 4.740 0.001 0.000 0.179 116 N C 1.385 176.988 175.510 0.155 0.000 1.032 116 N CA 0.741 53.863 53.050 0.120 0.000 0.898 116 N CB 0.217 38.792 38.487 0.146 0.000 0.971 116 N HN 0.327 nan 8.380 nan 0.000 0.441 117 E N 1.251 121.530 120.200 0.131 0.000 2.072 117 E HA -0.079 4.272 4.350 0.001 0.000 0.191 117 E C 1.139 177.829 176.600 0.150 0.000 0.985 117 E CA 0.881 57.395 56.400 0.189 0.000 0.801 117 E CB 0.039 29.878 29.700 0.232 0.000 0.750 117 E HN 0.277 nan 8.360 nan 0.000 0.452 118 K N 0.590 121.058 120.400 0.114 0.000 2.574 118 K HA -0.072 4.249 4.320 0.001 0.000 0.193 118 K C 1.224 177.868 176.600 0.074 0.000 1.035 118 K CA 0.589 56.927 56.287 0.084 0.000 0.982 118 K CB 0.122 32.659 32.500 0.062 0.000 0.795 118 K HN -0.006 nan 8.250 nan 0.000 0.491 119 K N -0.963 119.500 120.400 0.105 0.000 2.402 119 K HA 0.090 4.410 4.320 0.001 0.000 0.204 119 K C 0.695 177.391 176.600 0.159 0.000 1.056 119 K CA 0.408 56.749 56.287 0.090 0.000 1.069 119 K CB 1.480 34.020 32.500 0.066 0.000 0.888 119 K HN 0.257 nan 8.250 nan 0.000 0.546 120 G N 1.516 110.424 108.800 0.180 0.000 2.192 120 G HA2 -0.188 3.773 3.960 0.001 0.000 0.193 120 G HA3 -0.188 3.773 3.960 0.001 0.000 0.193 120 G C -0.419 174.609 174.900 0.214 0.000 0.999 120 G CA -0.583 44.629 45.100 0.186 0.000 0.659 120 G HN 0.118 nan 8.290 nan 0.000 0.503 121 L N 1.360 122.731 121.223 0.247 0.000 2.433 121 L HA 0.753 5.093 4.340 0.001 0.000 0.275 121 L C 0.011 177.047 176.870 0.276 0.000 1.128 121 L CA -0.075 54.907 54.840 0.236 0.000 0.875 121 L CB 0.618 42.811 42.059 0.223 0.000 1.171 121 L HN 0.106 nan 8.230 nan 0.000 0.463 122 K N 3.256 123.791 120.400 0.225 0.000 2.316 122 K HA 0.459 4.780 4.320 0.001 0.000 0.251 122 K C -0.321 176.357 176.600 0.129 0.000 0.934 122 K CA -0.452 55.944 56.287 0.182 0.000 0.802 122 K CB 1.403 33.971 32.500 0.113 0.000 1.171 122 K HN 0.596 nan 8.250 nan 0.000 0.426 123 D N 1.207 121.621 120.400 0.024 0.000 2.911 123 D HA -0.224 4.416 4.640 0.001 0.000 0.227 123 D C 0.915 177.145 176.300 -0.116 0.000 1.164 123 D CA 0.863 54.801 54.000 -0.104 0.000 0.782 123 D CB -0.824 39.953 40.800 -0.039 0.000 1.094 123 D HN 0.798 nan 8.370 nan 0.000 0.425 124 W N 1.868 123.184 121.300 0.027 0.000 2.338 124 W HA -0.222 4.439 4.660 0.002 0.000 0.304 124 W C 1.682 178.207 176.519 0.010 0.000 1.212 124 W CA 1.375 58.724 57.345 0.007 0.000 1.264 124 W CB -0.986 28.477 29.460 0.004 0.000 1.142 124 W HN 0.121 nan 8.180 nan 0.000 0.512 125 E N 1.959 121.629 120.200 -0.884 0.000 2.331 125 E HA -0.218 4.133 4.350 0.001 0.000 0.199 125 E C 1.471 177.921 176.600 -0.250 0.000 1.008 125 E CA 1.389 57.371 56.400 -0.697 0.000 0.843 125 E CB -0.717 28.372 29.700 -1.018 0.000 0.761 125 E HN 0.414 nan 8.360 nan 0.000 0.507 126 K N 0.493 120.781 120.400 -0.187 0.000 2.361 126 K HA 0.060 4.381 4.320 0.001 0.000 0.196 126 K C 1.587 178.181 176.600 -0.010 0.000 1.039 126 K CA 0.634 56.873 56.287 -0.081 0.000 1.001 126 K CB 0.221 32.676 32.500 -0.075 0.000 0.795 126 K HN 0.180 nan 8.250 nan 0.000 0.495 127 R N 0.441 120.954 120.500 0.022 0.000 2.662 127 R HA 0.243 4.584 4.340 0.001 0.000 0.396 127 R C -0.631 175.718 176.300 0.083 0.000 1.096 127 R CA -0.367 55.767 56.100 0.058 0.000 1.081 127 R CB 0.072 30.406 30.300 0.056 0.000 1.382 127 R HN -0.111 nan 8.270 nan 0.000 0.580 128 L N 1.634 122.909 121.223 0.086 0.000 2.325 128 L HA 0.535 4.876 4.340 0.001 0.000 0.281 128 L C -1.207 175.695 176.870 0.054 0.000 1.004 128 L CA -1.065 53.831 54.840 0.094 0.000 0.823 128 L CB 1.568 43.736 42.059 0.183 0.000 1.236 128 L HN 0.067 nan 8.230 nan 0.000 0.415 129 I N 6.315 126.905 120.570 0.034 0.000 2.474 129 I HA 0.435 4.606 4.170 0.001 0.000 0.294 129 I C -0.313 175.769 176.117 -0.059 0.000 1.005 129 I CA -0.463 60.833 61.300 -0.007 0.000 1.113 129 I CB 1.821 39.740 38.000 -0.135 0.000 1.289 129 I HN 0.548 nan 8.210 nan 0.000 0.436 130 I N 3.581 124.104 120.570 -0.078 0.000 2.418 130 I HA 0.182 4.353 4.170 0.001 0.000 0.287 130 I C 0.530 176.582 176.117 -0.107 0.000 1.008 130 I CA -0.580 60.619 61.300 -0.168 0.000 1.104 130 I CB 2.011 39.943 38.000 -0.113 0.000 1.264 130 I HN 0.516 nan 8.210 nan 0.000 0.438 131 S N 3.753 119.329 115.700 -0.206 0.000 2.515 131 S HA -0.024 4.447 4.470 0.001 0.000 0.285 131 S C 1.074 175.671 174.600 -0.005 0.000 1.265 131 S CA -0.501 57.686 58.200 -0.021 0.000 1.079 131 S CB 0.276 63.444 63.200 -0.053 0.000 0.877 131 S HN 0.704 nan 8.310 nan 0.000 0.493 132 D N 4.509 124.937 120.400 0.046 0.000 2.392 132 D HA -0.080 4.561 4.640 0.001 0.000 0.228 132 D C 1.185 177.507 176.300 0.038 0.000 1.003 132 D CA 0.696 54.717 54.000 0.035 0.000 0.917 132 D CB -0.069 40.759 40.800 0.046 0.000 0.890 132 D HN 0.581 nan 8.370 nan 0.000 0.532 133 R N -0.326 120.207 120.500 0.055 0.000 2.362 133 R HA 0.400 4.740 4.340 0.001 0.000 0.227 133 R C 0.469 176.826 176.300 0.096 0.000 0.905 133 R CA 0.006 56.152 56.100 0.076 0.000 1.067 133 R CB 0.659 31.022 30.300 0.104 0.000 1.078 133 R HN 0.121 nan 8.270 nan 0.000 0.516 134 A N 1.086 123.931 122.820 0.041 0.000 2.407 134 A HA 0.140 4.460 4.320 0.001 0.000 0.248 134 A C -0.330 177.283 177.584 0.048 0.000 1.082 134 A CA -0.091 51.969 52.037 0.039 0.000 0.785 134 A CB 0.182 19.147 19.000 -0.059 0.000 1.020 134 A HN 0.235 nan 8.150 nan 0.000 0.489 135 H N 0.315 119.314 119.070 -0.118 0.000 2.546 135 H HA 0.404 4.961 4.556 0.001 0.000 0.365 135 H C -0.674 174.519 175.328 -0.224 0.000 1.220 135 H CA -0.143 55.818 56.048 -0.145 0.000 1.386 135 H CB 0.966 30.615 29.762 -0.188 0.000 1.510 135 H HN 0.485 nan 8.280 nan 0.000 0.591 136 L N 1.926 123.015 121.223 -0.223 0.000 2.307 136 L HA 0.230 4.571 4.340 0.001 0.000 0.284 136 L C -0.345 176.138 176.870 -0.646 0.000 1.023 136 L CA -0.821 53.751 54.840 -0.447 0.000 0.810 136 L CB 1.808 43.522 42.059 -0.574 0.000 1.231 136 L HN 0.229 nan 8.230 nan 0.000 0.423 137 V N 3.714 123.351 119.914 -0.461 0.000 2.385 137 V HA 0.262 4.383 4.120 0.001 0.000 0.269 137 V C -0.067 175.900 176.094 -0.212 0.000 1.043 137 V CA -0.238 61.870 62.300 -0.321 0.000 0.906 137 V CB 0.458 32.179 31.823 -0.171 0.000 0.995 137 V HN 0.331 nan 8.190 nan 0.000 0.467 138 F N 2.375 122.417 119.950 0.153 0.000 2.377 138 F HA 0.355 4.882 4.527 0.001 0.000 0.328 138 F C 1.466 177.099 175.800 -0.278 0.000 1.094 138 F CA -0.903 56.982 58.000 -0.193 0.000 1.093 138 F CB 0.600 39.106 39.000 -0.824 0.000 1.214 138 F HN 0.446 nan 8.300 nan 0.000 0.518 139 D N 1.090 121.598 120.400 0.180 0.000 2.149 139 D HA -0.273 4.367 4.640 0.001 0.000 0.194 139 D C 1.938 178.257 176.300 0.031 0.000 1.001 139 D CA 2.068 56.166 54.000 0.163 0.000 0.849 139 D CB -0.473 40.499 40.800 0.287 0.000 0.939 139 D HN 0.533 nan 8.370 nan 0.000 0.449 140 F N -1.117 118.877 119.950 0.073 0.000 2.546 140 F HA 0.063 4.590 4.527 0.001 0.000 0.298 140 F C 1.979 177.699 175.800 -0.134 0.000 1.120 140 F CA 0.775 58.728 58.000 -0.078 0.000 1.456 140 F CB -1.088 37.793 39.000 -0.199 0.000 1.088 140 F HN 0.109 nan 8.300 nan 0.000 0.572 141 H N 0.186 119.078 119.070 -0.296 0.000 2.363 141 H HA -0.041 4.516 4.556 0.001 0.000 0.301 141 H C 2.097 177.373 175.328 -0.087 0.000 1.074 141 H CA 1.576 57.524 56.048 -0.166 0.000 1.354 141 H CB 0.021 29.634 29.762 -0.249 0.000 1.397 141 H HN 0.372 nan 8.280 nan 0.000 0.516 142 Q N 0.132 119.927 119.800 -0.008 0.000 2.079 142 Q HA -0.086 4.254 4.340 0.001 0.000 0.200 142 Q C 2.624 178.607 176.000 -0.028 0.000 0.974 142 Q CA 0.921 56.685 55.803 -0.064 0.000 0.840 142 Q CB -0.035 28.599 28.738 -0.173 0.000 0.898 142 Q HN 0.450 nan 8.270 nan 0.000 0.430 143 A N 0.869 123.689 122.820 0.000 0.000 1.865 143 A HA -0.156 4.165 4.320 0.001 0.000 0.217 143 A C 2.363 179.911 177.584 -0.060 0.000 1.191 143 A CA 1.516 53.549 52.037 -0.007 0.000 0.623 143 A CB -0.912 18.114 19.000 0.044 0.000 0.826 143 A HN 0.213 nan 8.150 nan 0.000 0.444 144 V N 0.781 120.686 119.914 -0.015 0.000 2.688 144 V HA -0.223 3.898 4.120 0.001 0.000 0.256 144 V C 2.312 178.330 176.094 -0.125 0.000 1.084 144 V CA 2.284 64.520 62.300 -0.107 0.000 1.103 144 V CB -0.711 31.224 31.823 0.186 0.000 0.688 144 V HN 0.641 nan 8.190 nan 0.000 0.480 145 D N 0.514 120.897 120.400 -0.028 0.000 2.123 145 D HA -0.077 4.563 4.640 0.001 0.000 0.200 145 D C 2.216 178.481 176.300 -0.057 0.000 0.976 145 D CA 1.511 55.503 54.000 -0.014 0.000 0.831 145 D CB -0.238 40.562 40.800 0.001 0.000 0.974 145 D HN 0.380 nan 8.370 nan 0.000 0.469 146 G N 0.537 109.290 108.800 -0.078 0.000 2.421 146 G HA2 -0.199 3.762 3.960 0.001 0.000 0.216 146 G HA3 -0.199 3.762 3.960 0.001 0.000 0.216 146 G C 1.635 176.463 174.900 -0.120 0.000 1.171 146 G CA 0.592 45.646 45.100 -0.075 0.000 0.775 146 G HN 0.254 nan 8.290 nan 0.000 0.543 147 L N 0.697 121.775 121.223 -0.241 0.000 2.012 147 L HA -0.104 4.236 4.340 0.001 0.000 0.210 147 L C 3.086 179.782 176.870 -0.291 0.000 1.073 147 L CA 1.668 56.278 54.840 -0.383 0.000 0.748 147 L CB -1.091 40.452 42.059 -0.861 0.000 0.891 147 L HN 0.332 nan 8.230 nan 0.000 0.431 148 Q N -1.109 118.526 119.800 -0.274 0.000 2.096 148 Q HA -0.266 4.075 4.340 0.001 0.000 0.204 148 Q C 2.173 178.208 176.000 0.058 0.000 0.982 148 Q CA 1.581 57.419 55.803 0.058 0.000 0.850 148 Q CB -0.169 28.646 28.738 0.128 0.000 0.901 148 Q HN 0.393 nan 8.270 nan 0.000 0.422 149 E N 0.394 120.600 120.200 0.010 0.000 2.051 149 E HA -0.146 4.204 4.350 0.001 0.000 0.192 149 E C 1.920 178.538 176.600 0.028 0.000 0.991 149 E CA 1.073 57.487 56.400 0.024 0.000 0.799 149 E CB -0.099 29.607 29.700 0.010 0.000 0.748 149 E HN 0.113 nan 8.360 nan 0.000 0.449 150 V N 0.747 120.667 119.914 0.010 0.000 2.307 150 V HA -0.265 3.856 4.120 0.001 0.000 0.245 150 V C 2.575 178.697 176.094 0.047 0.000 1.045 150 V CA 2.195 64.507 62.300 0.020 0.000 1.024 150 V CB -0.660 31.165 31.823 0.004 0.000 0.651 150 V HN 0.404 nan 8.190 nan 0.000 0.449 151 Q N 0.364 120.209 119.800 0.075 0.000 2.030 151 Q HA -0.257 4.083 4.340 0.001 0.000 0.204 151 Q C 2.410 178.465 176.000 0.093 0.000 0.986 151 Q CA 1.997 57.871 55.803 0.117 0.000 0.843 151 Q CB -0.188 28.689 28.738 0.231 0.000 0.904 151 Q HN 0.531 nan 8.270 nan 0.000 0.420 152 R N -0.122 120.433 120.500 0.092 0.000 2.200 152 R HA -0.189 4.152 4.340 0.001 0.000 0.234 152 R C 2.286 178.622 176.300 0.061 0.000 1.127 152 R CA 1.400 57.544 56.100 0.073 0.000 0.989 152 R CB -0.106 30.235 30.300 0.068 0.000 0.869 152 R HN 0.354 nan 8.270 nan 0.000 0.459 153 Q N 0.485 120.319 119.800 0.055 0.000 2.123 153 Q HA 0.034 4.375 4.340 0.001 0.000 0.196 153 Q C 1.648 177.672 176.000 0.040 0.000 0.958 153 Q CA 1.680 57.511 55.803 0.046 0.000 0.841 153 Q CB 0.015 28.776 28.738 0.038 0.000 0.915 153 Q HN 0.263 nan 8.270 nan 0.000 0.455 154 A N -0.193 122.652 122.820 0.042 0.000 2.238 154 A HA 0.027 4.347 4.320 0.001 0.000 0.208 154 A C 1.572 179.178 177.584 0.038 0.000 1.177 154 A CA 0.449 52.508 52.037 0.037 0.000 0.804 154 A CB -0.046 18.977 19.000 0.039 0.000 0.823 154 A HN 0.327 nan 8.150 nan 0.000 0.482 155 Q N -0.222 119.603 119.800 0.042 0.000 2.389 155 Q HA -0.010 4.330 4.340 0.001 0.000 0.201 155 Q C 1.217 177.238 176.000 0.034 0.000 0.956 155 Q CA 1.409 57.234 55.803 0.038 0.000 0.871 155 Q CB -0.194 28.570 28.738 0.043 0.000 0.990 155 Q HN 0.968 nan 8.270 nan 0.000 0.554 156 E N -0.371 119.852 120.200 0.039 0.000 2.499 156 E HA 0.306 4.656 4.350 0.001 0.000 0.199 156 E C 0.474 177.099 176.600 0.042 0.000 1.016 156 E CA 0.310 56.733 56.400 0.039 0.000 0.933 156 E CB 0.148 29.874 29.700 0.043 0.000 1.050 156 E HN 0.321 nan 8.360 nan 0.000 0.462 157 G N 2.036 110.858 108.800 0.038 0.000 2.258 157 G HA2 -0.367 3.594 3.960 0.001 0.000 0.274 157 G HA3 -0.367 3.594 3.960 0.001 0.000 0.274 157 G C -0.068 174.856 174.900 0.039 0.000 1.021 157 G CA 1.206 46.326 45.100 0.033 0.000 0.798 157 G HN 0.443 nan 8.290 nan 0.000 0.507 158 K N -0.478 119.955 120.400 0.055 0.000 2.592 158 K HA 0.291 4.611 4.320 0.001 0.000 0.259 158 K C -0.204 176.458 176.600 0.104 0.000 0.937 158 K CA -0.209 56.123 56.287 0.075 0.000 0.874 158 K CB 0.627 33.182 32.500 0.092 0.000 1.339 158 K HN 0.243 nan 8.250 nan 0.000 0.425 159 N N 3.619 122.384 118.700 0.109 0.000 3.040 159 N HA 0.397 5.138 4.740 0.001 0.000 0.339 159 N C 0.800 176.435 175.510 0.209 0.000 1.387 159 N CA -0.547 52.573 53.050 0.118 0.000 0.745 159 N CB 0.179 38.712 38.487 0.076 0.000 1.237 159 N HN 0.501 nan 8.380 nan 0.000 0.565 160 I N -2.191 118.477 120.570 0.162 0.000 3.081 160 I HA 0.280 4.450 4.170 0.001 0.000 0.274 160 I C 0.725 176.954 176.117 0.186 0.000 1.178 160 I CA 0.519 61.965 61.300 0.242 0.000 1.460 160 I CB -0.202 37.855 38.000 0.095 0.000 1.137 160 I HN 0.851 nan 8.210 nan 0.000 0.443 161 G N 1.976 110.834 108.800 0.098 0.000 2.130 161 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 161 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 161 G C 0.319 175.250 174.900 0.053 0.000 0.999 161 G CA 0.074 45.209 45.100 0.058 0.000 0.686 161 G HN 0.229 nan 8.290 nan 0.000 0.515 162 T N 0.745 115.331 114.554 0.054 0.000 2.788 162 T HA 0.318 4.669 4.350 0.001 0.000 0.333 162 T C 2.064 176.784 174.700 0.033 0.000 1.090 162 T CA 1.183 63.310 62.100 0.044 0.000 1.094 162 T CB 0.707 69.596 68.868 0.035 0.000 0.999 162 T HN 0.941 nan 8.240 nan 0.000 0.549 163 T N -1.197 113.376 114.554 0.031 0.000 3.148 163 T HA 0.123 4.474 4.350 0.001 0.000 0.253 163 T C 0.751 175.450 174.700 -0.001 0.000 1.134 163 T CA -0.186 61.927 62.100 0.021 0.000 1.051 163 T CB -0.387 68.498 68.868 0.028 0.000 0.959 163 T HN 0.752 nan 8.240 nan 0.000 0.525 164 K N 0.314 120.712 120.400 -0.004 0.000 3.088 164 K HA -0.144 4.177 4.320 0.001 0.000 0.273 164 K C 0.353 176.921 176.600 -0.053 0.000 1.111 164 K CA 0.592 56.866 56.287 -0.022 0.000 0.803 164 K CB -0.796 31.690 32.500 -0.022 0.000 1.226 164 K HN 0.292 nan 8.250 nan 0.000 0.485 165 K N -0.043 120.322 120.400 -0.058 0.000 2.410 165 K HA 0.075 4.395 4.320 0.001 0.000 0.200 165 K C 1.190 177.708 176.600 -0.136 0.000 1.023 165 K CA 0.905 57.124 56.287 -0.113 0.000 1.149 165 K CB 0.785 33.231 32.500 -0.089 0.000 0.859 165 K HN 0.545 nan 8.250 nan 0.000 0.514 166 G N 1.857 110.608 108.800 -0.082 0.000 2.155 166 G HA2 -0.251 3.709 3.960 0.001 0.000 0.257 166 G HA3 -0.251 3.709 3.960 0.001 0.000 0.257 166 G C 0.927 175.776 174.900 -0.084 0.000 0.983 166 G CA 0.217 45.278 45.100 -0.065 0.000 0.676 166 G HN 0.239 nan 8.290 nan 0.000 0.528 167 I N 1.102 121.650 120.570 -0.036 0.000 2.142 167 I HA -0.077 4.094 4.170 0.001 0.000 0.240 167 I C 3.010 179.189 176.117 0.104 0.000 1.078 167 I CA 2.164 63.475 61.300 0.019 0.000 1.343 167 I CB -1.759 36.303 38.000 0.103 0.000 1.046 167 I HN 0.255 nan 8.210 nan 0.000 0.405 168 G N 2.013 110.879 108.800 0.110 0.000 2.459 168 G HA2 -0.197 3.764 3.960 0.001 0.000 0.217 168 G HA3 -0.197 3.764 3.960 0.001 0.000 0.217 168 G C -0.411 174.561 174.900 0.119 0.000 1.183 168 G CA 0.747 45.927 45.100 0.134 0.000 0.776 168 G HN 0.300 nan 8.290 nan 0.000 0.552 169 P HA -0.095 nan 4.420 nan 0.000 0.216 169 P C 2.113 179.412 177.300 -0.001 0.000 1.150 169 P CA 1.993 65.201 63.100 0.182 0.000 0.837 169 P CB -0.150 31.734 31.700 0.307 0.000 0.786 170 T N -2.390 111.932 114.554 -0.387 0.000 2.777 170 T HA -0.172 4.179 4.350 0.001 0.000 0.266 170 T C 1.566 176.076 174.700 -0.318 0.000 1.040 170 T CA 1.154 62.824 62.100 -0.716 0.000 1.141 170 T CB -0.842 67.557 68.868 -0.781 0.000 0.868 170 T HN -0.054 nan 8.240 nan 0.000 0.444 171 Y N 1.077 121.297 120.300 -0.133 0.000 2.352 171 Y HA 0.068 4.619 4.550 0.001 0.000 0.292 171 Y C 3.098 178.977 175.900 -0.035 0.000 1.136 171 Y CA 1.064 59.108 58.100 -0.094 0.000 1.227 171 Y CB -0.606 37.814 38.460 -0.067 0.000 0.991 171 Y HN 0.234 nan 8.280 nan 0.000 0.545 172 S N -1.159 114.630 115.700 0.148 0.000 2.368 172 S HA -0.161 4.309 4.470 0.001 0.000 0.224 172 S C 2.330 177.020 174.600 0.150 0.000 1.029 172 S CA 1.495 59.781 58.200 0.144 0.000 0.988 172 S CB -0.366 62.930 63.200 0.160 0.000 0.838 172 S HN 0.416 nan 8.310 nan 0.000 0.462 173 S N 0.970 116.785 115.700 0.192 0.000 2.419 173 S HA -0.059 4.412 4.470 0.001 0.000 0.233 173 S C 1.776 176.501 174.600 0.207 0.000 1.016 173 S CA 1.177 59.536 58.200 0.265 0.000 0.974 173 S CB -0.240 63.228 63.200 0.448 0.000 0.786 173 S HN 0.576 nan 8.310 nan 0.000 0.492 174 K N 1.654 122.120 120.400 0.109 0.000 2.001 174 K HA -0.031 4.290 4.320 0.001 0.000 0.208 174 K C 2.243 178.880 176.600 0.061 0.000 1.048 174 K CA 1.213 57.504 56.287 0.006 0.000 0.932 174 K CB -0.413 31.883 32.500 -0.341 0.000 0.715 174 K HN 0.260 nan 8.250 nan 0.000 0.437 175 A N 0.917 123.773 122.820 0.061 0.000 1.940 175 A HA -0.115 4.206 4.320 0.001 0.000 0.219 175 A C 2.236 179.863 177.584 0.072 0.000 1.176 175 A CA 1.940 54.013 52.037 0.061 0.000 0.631 175 A CB -0.757 18.278 19.000 0.058 0.000 0.814 175 A HN 0.514 nan 8.150 nan 0.000 0.446 176 A N -1.669 121.206 122.820 0.092 0.000 2.167 176 A HA 0.217 4.537 4.320 0.001 0.000 0.214 176 A C 1.260 178.903 177.584 0.098 0.000 1.151 176 A CA 0.849 52.937 52.037 0.086 0.000 0.735 176 A CB -0.283 18.772 19.000 0.091 0.000 0.802 176 A HN 0.545 nan 8.150 nan 0.000 0.467 177 R N -2.239 118.339 120.500 0.130 0.000 3.776 177 R HA -0.147 4.194 4.340 0.001 0.000 0.312 177 R C 0.955 177.339 176.300 0.139 0.000 1.181 177 R CA 1.036 57.222 56.100 0.144 0.000 0.836 177 R CB -2.736 27.625 30.300 0.102 0.000 1.324 177 R HN 0.489 nan 8.270 nan 0.000 0.501 178 T N -1.610 113.041 114.554 0.162 0.000 2.990 178 T HA 0.228 4.579 4.350 0.001 0.000 0.250 178 T C 1.083 175.910 174.700 0.212 0.000 1.041 178 T CA 0.579 62.770 62.100 0.151 0.000 1.010 178 T CB 0.270 69.220 68.868 0.137 0.000 1.003 178 T HN 0.467 nan 8.240 nan 0.000 0.499 179 G N 1.227 110.197 108.800 0.284 0.000 2.636 179 G HA2 0.522 4.482 3.960 0.001 0.000 0.246 179 G HA3 0.522 4.482 3.960 0.001 0.000 0.246 179 G C -0.812 174.210 174.900 0.203 0.000 1.216 179 G CA -0.448 44.861 45.100 0.347 0.000 0.854 179 G HN 0.486 nan 8.290 nan 0.000 0.572 180 L N 0.206 121.586 121.223 0.262 0.000 2.334 180 L HA 0.585 4.926 4.340 0.001 0.000 0.273 180 L C 0.592 177.446 176.870 -0.026 0.000 1.013 180 L CA -0.832 54.135 54.840 0.211 0.000 0.816 180 L CB 1.924 44.315 42.059 0.554 0.000 1.278 180 L HN 0.516 nan 8.230 nan 0.000 0.431 181 R N 1.463 121.930 120.500 -0.055 0.000 2.856 181 R HA 0.453 4.793 4.340 0.001 0.000 0.258 181 R C 0.726 177.038 176.300 0.020 0.000 1.066 181 R CA -1.085 54.934 56.100 -0.135 0.000 1.045 181 R CB 1.350 31.529 30.300 -0.200 0.000 1.178 181 R HN 0.436 nan 8.270 nan 0.000 0.499 182 I N 1.148 121.710 120.570 -0.012 0.000 2.151 182 I HA -0.331 3.840 4.170 0.001 0.000 0.243 182 I C 2.669 178.797 176.117 0.019 0.000 1.080 182 I CA 1.652 62.953 61.300 0.002 0.000 1.339 182 I CB -1.277 36.715 38.000 -0.014 0.000 1.039 182 I HN 0.809 nan 8.210 nan 0.000 0.409 183 C N 0.388 119.705 119.300 0.027 0.000 2.411 183 C HA -0.138 4.323 4.460 0.001 0.000 0.279 183 C C 2.256 177.281 174.990 0.057 0.000 1.288 183 C CA 0.437 59.478 59.018 0.038 0.000 1.764 183 C CB -1.301 26.464 27.740 0.042 0.000 1.974 183 C HN 0.451 nan 8.230 nan 0.000 0.498 184 D N 1.049 121.505 120.400 0.094 0.000 2.117 184 D HA -0.083 4.557 4.640 0.001 0.000 0.198 184 D C 2.199 178.579 176.300 0.133 0.000 0.982 184 D CA 0.996 55.103 54.000 0.180 0.000 0.828 184 D CB -0.547 40.429 40.800 0.293 0.000 0.967 184 D HN 0.533 nan 8.370 nan 0.000 0.464 185 L N 0.337 121.532 121.223 -0.047 0.000 2.191 185 L HA -0.154 4.187 4.340 0.001 0.000 0.212 185 L C 1.640 178.399 176.870 -0.185 0.000 1.103 185 L CA 0.779 55.314 54.840 -0.508 0.000 0.769 185 L CB 0.083 41.938 42.059 -0.340 0.000 0.908 185 L HN 0.007 nan 8.230 nan 0.000 0.438 186 L N -1.184 120.012 121.223 -0.045 0.000 2.529 186 L HA 0.073 4.413 4.340 0.001 0.000 0.223 186 L C 1.817 178.709 176.870 0.037 0.000 1.113 186 L CA 0.484 55.326 54.840 0.003 0.000 0.861 186 L CB -0.258 41.807 42.059 0.010 0.000 1.012 186 L HN 0.255 nan 8.230 nan 0.000 0.461 187 S N -2.229 113.505 115.700 0.057 0.000 2.481 187 S HA 0.081 4.552 4.470 0.001 0.000 0.267 187 S C 0.297 174.961 174.600 0.106 0.000 1.174 187 S CA -0.721 57.523 58.200 0.073 0.000 1.027 187 S CB -0.005 63.240 63.200 0.074 0.000 1.117 187 S HN 0.211 nan 8.310 nan 0.000 0.495 188 D N 0.207 120.669 120.400 0.104 0.000 2.502 188 D HA -0.071 4.569 4.640 0.001 0.000 0.249 188 D C 0.316 176.726 176.300 0.184 0.000 1.188 188 D CA 0.037 54.114 54.000 0.127 0.000 0.890 188 D CB 0.081 40.936 40.800 0.093 0.000 1.140 188 D HN 0.479 nan 8.370 nan 0.000 0.505 189 F N 4.095 124.083 119.950 0.063 0.000 2.171 189 F HA -0.174 4.354 4.527 0.001 0.000 0.300 189 F C 1.842 177.736 175.800 0.156 0.000 1.090 189 F CA 1.113 59.174 58.000 0.102 0.000 1.293 189 F CB 0.193 39.213 39.000 0.033 0.000 1.013 189 F HN 0.410 nan 8.300 nan 0.000 0.486 190 D N 0.128 120.629 120.400 0.168 0.000 2.123 190 D HA -0.180 4.461 4.640 0.001 0.000 0.196 190 D C 2.126 178.429 176.300 0.005 0.000 0.992 190 D CA 1.311 55.357 54.000 0.076 0.000 0.833 190 D CB -0.288 40.563 40.800 0.086 0.000 0.954 190 D HN 0.323 nan 8.370 nan 0.000 0.455 191 E N 0.097 120.317 120.200 0.033 0.000 2.106 191 E HA -0.114 4.237 4.350 0.001 0.000 0.192 191 E C 1.958 178.546 176.600 -0.019 0.000 0.984 191 E CA 0.128 56.537 56.400 0.014 0.000 0.806 191 E CB -0.450 29.276 29.700 0.044 0.000 0.750 191 E HN 0.328 nan 8.360 nan 0.000 0.458 192 F N 1.792 121.643 119.950 -0.166 0.000 2.134 192 F HA -0.206 4.322 4.527 0.001 0.000 0.299 192 F C 2.331 177.961 175.800 -0.283 0.000 1.097 192 F CA 1.508 59.374 58.000 -0.222 0.000 1.264 192 F CB -0.180 38.615 39.000 -0.341 0.000 1.001 192 F HN -0.110 nan 8.300 nan 0.000 0.479 193 S N 0.688 116.159 115.700 -0.382 0.000 2.356 193 S HA -0.194 4.276 4.470 0.001 0.000 0.223 193 S C 2.354 176.813 174.600 -0.235 0.000 1.032 193 S CA 1.152 59.136 58.200 -0.359 0.000 1.005 193 S CB -1.019 62.041 63.200 -0.233 0.000 0.867 193 S HN 0.556 nan 8.310 nan 0.000 0.449 194 A N 2.264 124.981 122.820 -0.171 0.000 1.908 194 A HA -0.148 4.172 4.320 0.001 0.000 0.218 194 A C 2.198 179.672 177.584 -0.183 0.000 1.181 194 A CA 1.246 53.203 52.037 -0.133 0.000 0.627 194 A CB -0.437 18.516 19.000 -0.079 0.000 0.818 194 A HN 0.260 nan 8.150 nan 0.000 0.445 195 R N -1.682 118.687 120.500 -0.218 0.000 2.066 195 R HA -0.098 4.242 4.340 0.001 0.000 0.232 195 R C 1.984 178.093 176.300 -0.317 0.000 1.131 195 R CA 1.456 57.420 56.100 -0.227 0.000 0.955 195 R CB -1.171 29.006 30.300 -0.205 0.000 0.851 195 R HN 0.631 nan 8.270 nan 0.000 0.432 196 F N 2.435 121.993 119.950 -0.653 0.000 2.069 196 F HA -0.244 4.283 4.527 0.001 0.000 0.298 196 F C 2.139 177.629 175.800 -0.516 0.000 1.113 196 F CA 1.746 59.320 58.000 -0.710 0.000 1.214 196 F CB -0.114 38.344 39.000 -0.904 0.000 0.978 196 F HN -0.105 nan 8.300 nan 0.000 0.474 197 K N 0.244 120.440 120.400 -0.340 0.000 2.044 197 K HA -0.250 4.071 4.320 0.001 0.000 0.210 197 K C 1.884 177.966 176.600 -0.864 0.000 1.049 197 K CA 2.148 58.112 56.287 -0.539 0.000 0.927 197 K CB -0.639 31.653 32.500 -0.346 0.000 0.713 197 K HN 0.477 nan 8.250 nan 0.000 0.443 198 N N 0.695 119.066 118.700 -0.548 0.000 2.120 198 N HA -0.173 4.568 4.740 0.001 0.000 0.188 198 N C 1.808 177.117 175.510 -0.334 0.000 1.024 198 N CA 0.666 53.488 53.050 -0.380 0.000 0.852 198 N CB -0.088 38.288 38.487 -0.184 0.000 1.003 198 N HN 0.015 nan 8.380 nan 0.000 0.424 199 L N 1.406 122.417 121.223 -0.354 0.000 2.046 199 L HA -0.066 4.275 4.340 0.001 0.000 0.208 199 L C 2.205 178.811 176.870 -0.440 0.000 1.077 199 L CA 1.355 56.059 54.840 -0.226 0.000 0.747 199 L CB -0.752 41.236 42.059 -0.118 0.000 0.896 199 L HN 0.078 nan 8.230 nan 0.000 0.432 200 A N -1.187 121.055 122.820 -0.963 0.000 1.883 200 A HA -0.277 4.044 4.320 0.001 0.000 0.217 200 A C 2.140 179.405 177.584 -0.532 0.000 1.186 200 A CA 2.006 53.279 52.037 -1.273 0.000 0.624 200 A CB -1.141 17.161 19.000 -1.162 0.000 0.822 200 A HN 0.714 nan 8.150 nan 0.000 0.444 201 H N -0.691 118.161 119.070 -0.363 0.000 2.290 201 H HA -0.171 4.385 4.556 0.001 0.000 0.298 201 H C 2.339 177.571 175.328 -0.159 0.000 1.087 201 H CA 1.387 57.309 56.048 -0.210 0.000 1.291 201 H CB -0.134 29.534 29.762 -0.157 0.000 1.369 201 H HN 0.594 nan 8.280 nan 0.000 0.492 202 Q N -0.067 119.723 119.800 -0.017 0.000 2.268 202 Q HA -0.195 4.145 4.340 0.001 0.000 0.210 202 Q C 1.734 177.647 176.000 -0.146 0.000 0.988 202 Q CA 1.169 56.926 55.803 -0.078 0.000 0.883 202 Q CB -0.023 28.659 28.738 -0.095 0.000 0.911 202 Q HN 0.706 nan 8.270 nan 0.000 0.430 203 H N -0.062 118.935 119.070 -0.121 0.000 2.465 203 H HA 0.041 4.597 4.556 0.001 0.000 0.289 203 H C 1.857 177.192 175.328 0.012 0.000 1.022 203 H CA 0.743 56.765 56.048 -0.043 0.000 1.340 203 H CB 0.420 30.097 29.762 -0.141 0.000 1.437 203 H HN 0.377 nan 8.280 nan 0.000 0.539 204 Q N 0.113 119.944 119.800 0.051 0.000 2.230 204 Q HA -0.080 4.260 4.340 0.001 0.000 0.202 204 Q C 2.384 178.402 176.000 0.031 0.000 0.963 204 Q CA 0.931 56.764 55.803 0.051 0.000 0.866 204 Q CB 0.118 28.858 28.738 0.003 0.000 0.931 204 Q HN 0.151 nan 8.270 nan 0.000 0.452 205 S N 0.799 116.491 115.700 -0.012 0.000 2.371 205 S HA -0.134 4.336 4.470 0.001 0.000 0.224 205 S C 1.926 176.478 174.600 -0.080 0.000 1.029 205 S CA 0.782 58.952 58.200 -0.049 0.000 0.978 205 S CB -0.069 63.093 63.200 -0.065 0.000 0.833 205 S HN 0.360 nan 8.310 nan 0.000 0.466 206 M N -0.472 119.077 119.600 -0.085 0.000 2.106 206 M HA -0.021 4.459 4.480 0.001 0.000 0.259 206 M C -0.723 175.326 176.300 -0.418 0.000 1.068 206 M CA 1.540 56.717 55.300 -0.204 0.000 1.100 206 M CB 0.042 32.603 32.600 -0.066 0.000 1.351 206 M HN 0.347 nan 8.290 nan 0.000 0.404 207 F N -0.311 119.645 119.950 0.010 0.000 2.771 207 F HA 0.350 4.877 4.527 0.001 0.000 0.365 207 F C -1.738 174.069 175.800 0.011 0.000 1.169 207 F CA -2.032 55.980 58.000 0.021 0.000 1.093 207 F CB 0.864 39.892 39.000 0.046 0.000 1.363 207 F HN 0.001 nan 8.300 nan 0.000 0.496 208 P HA -0.200 nan 4.420 nan 0.000 0.221 208 P C 1.615 178.967 177.300 0.087 0.000 1.145 208 P CA 1.467 64.606 63.100 0.065 0.000 0.795 208 P CB 0.273 31.987 31.700 0.024 0.000 0.775 209 T N -1.362 113.272 114.554 0.134 0.000 3.055 209 T HA -0.013 4.338 4.350 0.001 0.000 0.265 209 T C 0.855 175.612 174.700 0.095 0.000 1.111 209 T CA -0.308 61.856 62.100 0.107 0.000 1.118 209 T CB -0.806 68.134 68.868 0.119 0.000 0.909 209 T HN -0.116 nan 8.240 nan 0.000 0.501 210 L N 2.929 124.230 121.223 0.130 0.000 2.540 210 L HA 0.246 4.587 4.340 0.001 0.000 0.276 210 L C -0.293 176.617 176.870 0.066 0.000 1.212 210 L CA 0.439 55.335 54.840 0.094 0.000 0.893 210 L CB 0.297 42.439 42.059 0.138 0.000 1.138 210 L HN 0.221 nan 8.230 nan 0.000 0.491 211 E N 6.432 126.668 120.200 0.059 0.000 2.151 211 E HA 0.518 4.868 4.350 0.001 0.000 0.275 211 E C -0.980 175.664 176.600 0.072 0.000 0.936 211 E CA -0.255 56.179 56.400 0.057 0.000 0.777 211 E CB 1.654 31.386 29.700 0.053 0.000 1.108 211 E HN 0.517 nan 8.360 nan 0.000 0.401 212 I N 2.421 123.029 120.570 0.063 0.000 2.497 212 I HA 0.102 4.272 4.170 0.001 0.000 0.284 212 I C -0.751 175.426 176.117 0.101 0.000 1.060 212 I CA -0.754 60.598 61.300 0.088 0.000 1.071 212 I CB 1.684 39.688 38.000 0.007 0.000 1.216 212 I HN 0.442 nan 8.210 nan 0.000 0.442 213 D N 6.443 126.922 120.400 0.131 0.000 2.558 213 D HA 0.080 4.721 4.640 0.001 0.000 0.221 213 D C 1.358 177.756 176.300 0.163 0.000 1.143 213 D CA -0.310 53.762 54.000 0.120 0.000 1.010 213 D CB 0.838 41.702 40.800 0.106 0.000 1.068 213 D HN 0.421 nan 8.370 nan 0.000 0.511 214 V N 1.664 121.681 119.914 0.171 0.000 2.317 214 V HA -0.237 3.883 4.120 0.001 0.000 0.251 214 V C 1.724 177.919 176.094 0.167 0.000 1.065 214 V CA 1.448 63.900 62.300 0.252 0.000 1.049 214 V CB -0.369 31.562 31.823 0.181 0.000 0.651 214 V HN 0.273 nan 8.190 nan 0.000 0.450 215 E N 1.315 121.579 120.200 0.107 0.000 2.107 215 E HA -0.021 4.330 4.350 0.001 0.000 0.191 215 E C 2.369 179.004 176.600 0.058 0.000 0.982 215 E CA 1.465 57.908 56.400 0.071 0.000 0.809 215 E CB -0.833 28.902 29.700 0.059 0.000 0.756 215 E HN 0.727 nan 8.360 nan 0.000 0.459 216 G N 1.259 110.101 108.800 0.070 0.000 2.402 216 G HA2 -0.277 3.683 3.960 0.001 0.000 0.216 216 G HA3 -0.277 3.683 3.960 0.001 0.000 0.216 216 G C 1.533 176.470 174.900 0.062 0.000 1.162 216 G CA 0.440 45.575 45.100 0.059 0.000 0.777 216 G HN 0.245 nan 8.290 nan 0.000 0.539 217 Q N -0.404 119.454 119.800 0.097 0.000 2.172 217 Q HA 0.176 4.517 4.340 0.001 0.000 0.200 217 Q C 2.574 178.549 176.000 -0.040 0.000 0.964 217 Q CA 0.417 56.279 55.803 0.099 0.000 0.855 217 Q CB -0.121 28.765 28.738 0.247 0.000 0.918 217 Q HN 0.408 nan 8.270 nan 0.000 0.444 218 L N 0.500 121.658 121.223 -0.109 0.000 2.156 218 L HA -0.153 4.188 4.340 0.001 0.000 0.208 218 L C 2.132 179.072 176.870 0.118 0.000 1.095 218 L CA 1.036 55.834 54.840 -0.070 0.000 0.770 218 L CB -0.139 41.895 42.059 -0.042 0.000 0.914 218 L HN 0.150 nan 8.230 nan 0.000 0.439 219 K N -0.127 120.293 120.400 0.033 0.000 2.062 219 K HA -0.120 4.201 4.320 0.001 0.000 0.205 219 K C 2.219 178.749 176.600 -0.116 0.000 1.051 219 K CA 1.057 57.324 56.287 -0.033 0.000 0.941 219 K CB -0.057 32.421 32.500 -0.038 0.000 0.719 219 K HN 0.230 nan 8.250 nan 0.000 0.440 220 R N 0.801 121.238 120.500 -0.106 0.000 2.075 220 R HA -0.048 4.292 4.340 0.001 0.000 0.232 220 R C 2.324 178.436 176.300 -0.314 0.000 1.126 220 R CA 1.004 56.940 56.100 -0.274 0.000 0.963 220 R CB -0.343 29.894 30.300 -0.105 0.000 0.858 220 R HN 0.104 nan 8.270 nan 0.000 0.435 221 L N 0.711 121.972 121.223 0.063 0.000 2.083 221 L HA -0.187 4.154 4.340 0.001 0.000 0.209 221 L C 2.446 179.380 176.870 0.107 0.000 1.083 221 L CA 1.174 56.178 54.840 0.272 0.000 0.752 221 L CB -0.254 41.998 42.059 0.322 0.000 0.899 221 L HN 0.053 nan 8.230 nan 0.000 0.433 222 K N 0.430 120.795 120.400 -0.060 0.000 2.057 222 K HA -0.130 4.190 4.320 0.001 0.000 0.207 222 K C 1.942 178.338 176.600 -0.339 0.000 1.049 222 K CA 1.640 57.647 56.287 -0.467 0.000 0.931 222 K CB -0.664 31.465 32.500 -0.618 0.000 0.714 222 K HN 0.220 nan 8.250 nan 0.000 0.440 223 G N -0.704 107.892 108.800 -0.340 0.000 2.408 223 G HA2 -0.168 3.793 3.960 0.001 0.000 0.217 223 G HA3 -0.168 3.793 3.960 0.001 0.000 0.217 223 G C 1.167 175.883 174.900 -0.306 0.000 1.150 223 G CA 0.592 45.466 45.100 -0.376 0.000 0.776 223 G HN 0.277 nan 8.290 nan 0.000 0.542 224 F N 1.821 121.697 119.950 -0.123 0.000 2.234 224 F HA 0.154 4.681 4.527 0.001 0.000 0.299 224 F C 2.940 178.725 175.800 -0.024 0.000 1.087 224 F CA 0.195 58.148 58.000 -0.077 0.000 1.340 224 F CB -0.720 38.311 39.000 0.052 0.000 1.031 224 F HN 0.241 nan 8.300 nan 0.000 0.500 225 A N 0.228 123.113 122.820 0.109 0.000 1.851 225 A HA -0.287 4.033 4.320 0.001 0.000 0.216 225 A C 2.164 179.752 177.584 0.006 0.000 1.195 225 A CA 2.100 54.156 52.037 0.032 0.000 0.622 225 A CB -0.983 17.982 19.000 -0.058 0.000 0.831 225 A HN 0.330 nan 8.150 nan 0.000 0.444 226 E N 0.024 120.189 120.200 -0.059 0.000 2.070 226 E HA -0.242 4.109 4.350 0.001 0.000 0.197 226 E C 2.154 178.738 176.600 -0.028 0.000 1.004 226 E CA 1.984 58.344 56.400 -0.066 0.000 0.805 226 E CB -0.329 29.302 29.700 -0.116 0.000 0.744 226 E HN 0.558 nan 8.360 nan 0.000 0.451 227 R N -0.458 120.027 120.500 -0.025 0.000 2.092 227 R HA 0.020 4.361 4.340 0.001 0.000 0.231 227 R C 2.416 178.813 176.300 0.162 0.000 1.119 227 R CA 1.508 57.609 56.100 0.002 0.000 0.970 227 R CB -0.265 29.927 30.300 -0.180 0.000 0.864 227 R HN 0.348 nan 8.270 nan 0.000 0.440 228 I N -0.014 120.697 120.570 0.234 0.000 3.030 228 I HA -0.110 4.061 4.170 0.001 0.000 0.270 228 I C 2.409 178.592 176.117 0.110 0.000 1.211 228 I CA 0.119 61.566 61.300 0.244 0.000 1.479 228 I CB -0.055 38.108 38.000 0.271 0.000 1.105 228 I HN 0.189 nan 8.210 nan 0.000 0.447 229 R N 1.782 122.322 120.500 0.068 0.000 2.133 229 R HA -0.203 4.137 4.340 0.001 0.000 0.245 229 R C -0.575 175.742 176.300 0.029 0.000 1.137 229 R CA 2.331 58.452 56.100 0.034 0.000 0.947 229 R CB -1.389 28.918 30.300 0.011 0.000 0.865 229 R HN 0.260 nan 8.270 nan 0.000 0.437 230 P HA -0.136 nan 4.420 nan 0.000 0.225 230 P C 0.862 178.174 177.300 0.020 0.000 1.148 230 P CA 1.477 64.585 63.100 0.013 0.000 0.779 230 P CB -0.035 31.662 31.700 -0.005 0.000 0.780 231 M N -1.220 118.399 119.600 0.031 0.000 2.509 231 M HA 0.078 4.559 4.480 0.001 0.000 0.250 231 M C 0.509 176.823 176.300 0.024 0.000 1.132 231 M CA 0.175 55.493 55.300 0.030 0.000 1.080 231 M CB 0.291 32.918 32.600 0.045 0.000 1.408 231 M HN -0.314 nan 8.290 nan 0.000 0.484 232 V N 1.674 121.604 119.914 0.028 0.000 2.649 232 V HA 0.303 4.423 4.120 0.001 0.000 0.292 232 V C 0.131 176.250 176.094 0.042 0.000 1.055 232 V CA -0.074 62.242 62.300 0.025 0.000 1.023 232 V CB 1.059 32.897 31.823 0.025 0.000 0.992 232 V HN 0.380 nan 8.190 nan 0.000 0.480 233 R N 1.361 121.895 120.500 0.056 0.000 2.733 233 R HA 0.280 4.621 4.340 0.001 0.000 0.272 233 R C -1.239 175.138 176.300 0.128 0.000 1.029 233 R CA -0.926 55.230 56.100 0.093 0.000 0.888 233 R CB 1.369 31.740 30.300 0.117 0.000 1.251 233 R HN 0.763 nan 8.270 nan 0.000 0.464 234 D N 0.696 121.188 120.400 0.154 0.000 2.346 234 D HA 0.030 4.671 4.640 0.001 0.000 0.260 234 D C 0.736 177.208 176.300 0.286 0.000 1.252 234 D CA 0.436 54.545 54.000 0.181 0.000 0.895 234 D CB 1.486 42.372 40.800 0.142 0.000 1.097 234 D HN 0.689 nan 8.370 nan 0.000 0.489 235 G N 3.127 112.108 108.800 0.301 0.000 2.402 235 G HA2 -0.189 3.771 3.960 0.001 0.000 0.216 235 G HA3 -0.189 3.771 3.960 0.001 0.000 0.216 235 G C 1.692 176.825 174.900 0.389 0.000 1.162 235 G CA 0.413 45.783 45.100 0.450 0.000 0.777 235 G HN 0.501 nan 8.290 nan 0.000 0.539 236 V N -0.185 119.909 119.914 0.299 0.000 2.287 236 V HA -0.244 3.877 4.120 0.001 0.000 0.248 236 V C 2.287 178.538 176.094 0.263 0.000 1.053 236 V CA 2.001 64.449 62.300 0.247 0.000 1.027 236 V CB -0.662 31.270 31.823 0.181 0.000 0.646 236 V HN 0.503 nan 8.190 nan 0.000 0.447 237 Y N -0.210 120.181 120.300 0.151 0.000 2.220 237 Y HA -0.240 4.310 4.550 -0.000 0.000 0.291 237 Y C 2.264 178.260 175.900 0.160 0.000 1.129 237 Y CA 1.832 60.012 58.100 0.134 0.000 1.161 237 Y CB -0.332 38.184 38.460 0.093 0.000 0.997 237 Y HN 0.270 nan 8.280 nan 0.000 0.522 238 F N 0.220 120.252 119.950 0.137 0.000 2.069 238 F HA -0.308 4.220 4.527 0.001 0.000 0.298 238 F C 2.199 177.891 175.800 -0.181 0.000 1.113 238 F CA 2.213 60.186 58.000 -0.044 0.000 1.214 238 F CB -0.542 38.387 39.000 -0.118 0.000 0.978 238 F HN 0.188 nan 8.300 nan 0.000 0.474 239 M N -0.675 118.915 119.600 -0.017 0.000 2.254 239 M HA -0.103 4.378 4.480 0.001 0.000 0.265 239 M C 1.874 178.108 176.300 -0.109 0.000 1.066 239 M CA 1.513 56.730 55.300 -0.139 0.000 1.123 239 M CB -1.094 31.549 32.600 0.073 0.000 1.388 239 M HN 0.414 nan 8.290 nan 0.000 0.425 240 Y N 0.849 121.068 120.300 -0.136 0.000 2.089 240 Y HA -0.206 4.344 4.550 0.000 0.000 0.282 240 Y C 2.107 177.915 175.900 -0.154 0.000 1.139 240 Y CA 2.126 60.157 58.100 -0.114 0.000 1.123 240 Y CB -0.248 38.091 38.460 -0.201 0.000 0.980 240 Y HN 0.229 nan 8.280 nan 0.000 0.493 241 E N 0.267 120.317 120.200 -0.251 0.000 2.118 241 E HA -0.246 4.105 4.350 0.001 0.000 0.195 241 E C 2.325 178.729 176.600 -0.327 0.000 0.992 241 E CA 1.153 57.358 56.400 -0.325 0.000 0.804 241 E CB -0.618 28.834 29.700 -0.412 0.000 0.741 241 E HN 0.598 nan 8.360 nan 0.000 0.458 242 A N 0.831 123.404 122.820 -0.412 0.000 1.930 242 A HA -0.088 4.233 4.320 0.001 0.000 0.217 242 A C 2.248 179.651 177.584 -0.302 0.000 1.175 242 A CA 0.890 52.684 52.037 -0.405 0.000 0.627 242 A CB -0.415 18.246 19.000 -0.565 0.000 0.815 242 A HN 0.178 nan 8.150 nan 0.000 0.443 243 L N -1.964 119.082 121.223 -0.294 0.000 2.509 243 L HA 0.063 4.404 4.340 0.001 0.000 0.222 243 L C 1.341 177.878 176.870 -0.555 0.000 1.123 243 L CA 0.545 55.176 54.840 -0.348 0.000 0.856 243 L CB -0.150 41.724 42.059 -0.309 0.000 0.985 243 L HN 0.448 nan 8.230 nan 0.000 0.456 244 H N -1.361 117.447 119.070 -0.437 0.000 2.784 244 H HA 0.279 4.835 4.556 0.000 0.000 0.273 244 H C 1.050 176.230 175.328 -0.247 0.000 1.112 244 H CA 0.152 55.966 56.048 -0.390 0.000 1.162 244 H CB 0.659 30.048 29.762 -0.622 0.000 1.586 244 H HN 0.167 nan 8.280 nan 0.000 0.548 245 G N 0.754 109.464 108.800 -0.150 0.000 3.019 245 G HA2 0.255 4.216 3.960 0.001 0.000 0.152 245 G HA3 0.255 4.216 3.960 0.001 0.000 0.152 245 G C -1.746 173.089 174.900 -0.109 0.000 1.320 245 G CA -1.047 43.987 45.100 -0.109 0.000 1.013 245 G HN 0.021 nan 8.290 nan 0.000 0.593 246 P HA 0.217 nan 4.420 nan 0.000 0.268 246 P C -2.501 174.741 177.300 -0.097 0.000 1.204 246 P CA -0.727 62.325 63.100 -0.080 0.000 0.768 246 P CB 0.278 31.940 31.700 -0.063 0.000 0.842 247 P HA -0.011 nan 4.420 nan 0.000 0.259 247 P C -0.370 176.878 177.300 -0.086 0.000 1.163 247 P CA 0.863 63.908 63.100 -0.091 0.000 0.760 247 P CB 0.527 32.185 31.700 -0.070 0.000 0.762 248 K N 2.711 123.051 120.400 -0.100 0.000 2.469 248 K HA 0.353 4.674 4.320 0.001 0.000 0.254 248 K C -0.265 176.289 176.600 -0.075 0.000 0.939 248 K CA -0.968 55.266 56.287 -0.088 0.000 0.812 248 K CB 2.552 34.983 32.500 -0.114 0.000 1.301 248 K HN 0.312 nan 8.250 nan 0.000 0.433 249 K N 1.868 122.238 120.400 -0.050 0.000 2.264 249 K HA 0.323 4.644 4.320 0.001 0.000 0.277 249 K C -0.695 175.889 176.600 -0.026 0.000 1.067 249 K CA -0.574 55.694 56.287 -0.032 0.000 0.900 249 K CB 1.252 33.745 32.500 -0.012 0.000 1.124 249 K HN 0.165 nan 8.250 nan 0.000 0.469 250 V N 4.748 124.646 119.914 -0.028 0.000 2.417 250 V HA 0.314 4.434 4.120 0.001 0.000 0.291 250 V C -0.744 175.356 176.094 0.011 0.000 1.024 250 V CA -1.006 61.289 62.300 -0.009 0.000 0.861 250 V CB 1.342 33.148 31.823 -0.027 0.000 0.985 250 V HN 0.538 nan 8.190 nan 0.000 0.436 251 L N 6.473 127.714 121.223 0.031 0.000 2.341 251 L HA 0.734 5.074 4.340 0.001 0.000 0.278 251 L C -0.554 176.348 176.870 0.054 0.000 1.005 251 L CA -0.099 54.761 54.840 0.034 0.000 0.818 251 L CB 1.960 44.035 42.059 0.026 0.000 1.259 251 L HN 0.433 nan 8.230 nan 0.000 0.418 252 V N 4.756 124.699 119.914 0.049 0.000 2.357 252 V HA 0.391 4.512 4.120 0.001 0.000 0.284 252 V C -0.118 176.010 176.094 0.057 0.000 1.018 252 V CA -0.651 61.689 62.300 0.066 0.000 0.841 252 V CB 1.358 33.222 31.823 0.067 0.000 0.991 252 V HN 0.806 nan 8.190 nan 0.000 0.437 253 E N 4.081 124.318 120.200 0.061 0.000 2.046 253 E HA 0.502 4.852 4.350 0.001 0.000 0.279 253 E C 0.449 177.105 176.600 0.092 0.000 0.989 253 E CA -0.372 56.068 56.400 0.066 0.000 0.798 253 E CB 1.111 30.854 29.700 0.072 0.000 1.086 253 E HN 0.821 nan 8.360 nan 0.000 0.399 254 G N 2.791 111.643 108.800 0.087 0.000 2.599 254 G HA2 0.517 4.477 3.960 0.001 0.000 0.264 254 G HA3 0.517 4.477 3.960 0.001 0.000 0.264 254 G C -0.706 174.290 174.900 0.159 0.000 1.200 254 G CA -0.002 45.159 45.100 0.102 0.000 0.896 254 G HN 0.626 nan 8.290 nan 0.000 0.536 255 A N -0.018 122.900 122.820 0.163 0.000 2.435 255 A HA 0.791 5.111 4.320 0.001 0.000 0.296 255 A C 0.349 178.035 177.584 0.171 0.000 1.147 255 A CA -0.082 52.096 52.037 0.235 0.000 0.775 255 A CB 0.633 19.732 19.000 0.165 0.000 1.340 255 A HN 1.130 nan 8.150 nan 0.000 0.427 256 N N -1.365 117.454 118.700 0.197 0.000 1.324 256 N HA -0.015 4.725 4.740 0.001 0.000 0.111 256 N C -0.156 175.429 175.510 0.125 0.000 0.839 256 N CA 1.396 54.538 53.050 0.153 0.000 0.856 256 N CB -0.765 37.800 38.487 0.130 0.000 0.936 256 N HN 2.027 nan 8.380 nan 0.000 0.657 257 A N -1.470 121.423 122.820 0.122 0.000 2.599 257 A HA 0.830 5.150 4.320 0.001 0.000 0.290 257 A C 0.610 178.246 177.584 0.086 0.000 1.101 257 A CA 0.094 52.186 52.037 0.091 0.000 0.674 257 A CB 0.526 19.568 19.000 0.069 0.000 1.277 257 A HN 1.115 nan 8.150 nan 0.000 0.419 258 A N -0.226 122.629 122.820 0.058 0.000 1.884 258 A HA -0.058 4.263 4.320 0.001 0.000 0.219 258 A C 1.431 179.054 177.584 0.065 0.000 1.197 258 A CA 2.012 54.084 52.037 0.058 0.000 0.637 258 A CB -0.580 18.440 19.000 0.033 0.000 0.827 258 A HN 0.833 nan 8.150 nan 0.000 0.450 259 L N -0.599 120.571 121.223 -0.088 0.000 2.610 259 L HA 0.119 4.459 4.340 0.001 0.000 0.232 259 L C 1.404 178.401 176.870 0.211 0.000 1.149 259 L CA 0.931 55.702 54.840 -0.115 0.000 0.872 259 L CB -0.885 40.650 42.059 -0.875 0.000 0.992 259 L HN 0.421 nan 8.230 nan 0.000 0.447 260 L N -1.476 119.886 121.223 0.231 0.000 2.766 260 L HA 0.155 4.496 4.340 0.001 0.000 0.242 260 L C 0.868 177.857 176.870 0.199 0.000 1.136 260 L CA -0.168 54.846 54.840 0.288 0.000 0.933 260 L CB 0.410 42.627 42.059 0.264 0.000 1.241 260 L HN 0.130 nan 8.230 nan 0.000 0.522 261 D N 1.267 121.779 120.400 0.186 0.000 2.458 261 D HA -0.087 4.553 4.640 0.001 0.000 0.243 261 D C 1.250 177.610 176.300 0.101 0.000 1.146 261 D CA 0.023 54.107 54.000 0.140 0.000 0.877 261 D CB 1.502 42.429 40.800 0.212 0.000 1.176 261 D HN 0.027 nan 8.370 nan 0.000 0.461 262 I N 4.072 124.656 120.570 0.022 0.000 2.315 262 I HA -0.265 3.905 4.170 0.001 0.000 0.251 262 I C 1.419 177.497 176.117 -0.065 0.000 1.125 262 I CA 1.671 62.983 61.300 0.020 0.000 1.392 262 I CB 0.014 37.976 38.000 -0.065 0.000 1.065 262 I HN 0.439 nan 8.210 nan 0.000 0.424 263 D N -0.820 119.422 120.400 -0.262 0.000 2.269 263 D HA -0.012 4.629 4.640 0.001 0.000 0.220 263 D C 1.624 177.562 176.300 -0.603 0.000 0.962 263 D CA 1.139 54.778 54.000 -0.603 0.000 0.884 263 D CB 0.037 40.168 40.800 -1.115 0.000 1.023 263 D HN 0.376 nan 8.370 nan 0.000 0.484 264 F N 1.139 121.163 119.950 0.123 0.000 2.721 264 F HA 0.277 4.804 4.527 0.001 0.000 0.301 264 F C 1.671 177.672 175.800 0.335 0.000 1.096 264 F CA -0.476 57.668 58.000 0.239 0.000 1.308 264 F CB -0.176 38.919 39.000 0.158 0.000 1.086 264 F HN -0.203 nan 8.300 nan 0.000 0.587 265 G N 0.056 109.078 108.800 0.370 0.000 2.516 265 G HA2 0.269 4.230 3.960 0.001 0.000 0.276 265 G HA3 0.269 4.230 3.960 0.001 0.000 0.276 265 G C 0.341 175.501 174.900 0.434 0.000 1.390 265 G CA -0.030 45.298 45.100 0.380 0.000 1.050 265 G HN 0.169 nan 8.290 nan 0.000 0.519 266 T N -1.984 112.875 114.554 0.509 0.000 4.099 266 T HA 0.168 4.518 4.350 0.001 0.000 0.223 266 T C 0.195 175.135 174.700 0.399 0.000 0.968 266 T CA -0.514 61.890 62.100 0.507 0.000 0.966 266 T CB -0.894 68.346 68.868 0.620 0.000 1.328 266 T HN 0.335 nan 8.240 nan 0.000 0.783 267 Y N 3.526 123.941 120.300 0.191 0.000 2.903 267 Y HA 0.086 4.636 4.550 0.001 0.000 0.338 267 Y C -1.116 174.768 175.900 -0.027 0.000 1.265 267 Y CA -1.347 56.786 58.100 0.054 0.000 1.532 267 Y CB 0.855 39.329 38.460 0.022 0.000 1.293 267 Y HN 0.257 nan 8.280 nan 0.000 0.609 268 P HA -0.017 nan 4.420 nan 0.000 0.249 268 P C -0.533 176.291 177.300 -0.792 0.000 1.229 268 P CA 0.505 62.792 63.100 -1.354 0.000 0.788 268 P CB -0.134 30.804 31.700 -1.271 0.000 1.072 269 F N 2.094 121.963 119.950 -0.134 0.000 2.640 269 F HA 0.169 4.696 4.527 0.001 0.000 0.354 269 F C 1.217 177.039 175.800 0.037 0.000 1.213 269 F CA -0.468 57.503 58.000 -0.048 0.000 1.314 269 F CB -0.565 38.417 39.000 -0.030 0.000 1.679 269 F HN -0.167 nan 8.300 nan 0.000 0.622 270 V N -3.048 116.924 119.914 0.097 0.000 3.181 270 V HA 0.689 4.809 4.120 0.001 0.000 0.307 270 V C -0.253 175.892 176.094 0.084 0.000 1.310 270 V CA -0.836 61.554 62.300 0.150 0.000 1.067 270 V CB 1.585 33.518 31.823 0.183 0.000 1.081 270 V HN 0.092 nan 8.190 nan 0.000 0.453 271 T N -0.419 114.191 114.554 0.093 0.000 2.897 271 T HA 0.433 4.783 4.350 0.001 0.000 0.278 271 T C 0.712 175.411 174.700 -0.002 0.000 0.981 271 T CA 0.298 62.430 62.100 0.053 0.000 0.973 271 T CB 1.391 70.298 68.868 0.066 0.000 1.092 271 T HN 0.966 nan 8.240 nan 0.000 0.543 272 S N 1.444 117.110 115.700 -0.057 0.000 2.618 272 S HA 0.289 4.760 4.470 0.001 0.000 0.242 272 S C 0.144 174.393 174.600 -0.585 0.000 0.972 272 S CA -0.582 57.503 58.200 -0.191 0.000 1.004 272 S CB -0.435 62.734 63.200 -0.052 0.000 0.778 272 S HN 0.762 nan 8.310 nan 0.000 0.459 273 S N 0.569 115.996 115.700 -0.455 0.000 2.661 273 S HA 0.514 4.984 4.470 0.001 0.000 0.285 273 S C -1.134 173.349 174.600 -0.195 0.000 1.138 273 S CA -1.157 56.735 58.200 -0.514 0.000 0.855 273 S CB 0.695 63.586 63.200 -0.516 0.000 1.136 273 S HN 0.172 nan 8.310 nan 0.000 0.484 274 N N 0.336 118.959 118.700 -0.129 0.000 2.406 274 N HA 0.320 5.060 4.740 0.001 0.000 0.251 274 N C 0.190 175.713 175.510 0.022 0.000 1.069 274 N CA -0.459 52.577 53.050 -0.024 0.000 0.947 274 N CB 0.434 38.922 38.487 0.001 0.000 1.111 274 N HN 0.627 nan 8.380 nan 0.000 0.497 275 C N 0.257 119.591 119.300 0.057 0.000 2.594 275 C HA 0.024 4.485 4.460 0.001 0.000 0.265 275 C C 1.520 176.559 174.990 0.081 0.000 1.351 275 C CA -0.252 58.811 59.018 0.075 0.000 1.744 275 C CB -1.678 26.117 27.740 0.092 0.000 1.890 275 C HN 0.732 nan 8.230 nan 0.000 0.551 276 T N -1.498 113.109 114.554 0.089 0.000 2.732 276 T HA 0.268 4.618 4.350 0.001 0.000 0.287 276 T C 1.287 176.001 174.700 0.022 0.000 0.993 276 T CA -0.068 62.060 62.100 0.047 0.000 0.966 276 T CB 0.816 69.710 68.868 0.042 0.000 1.047 276 T HN -0.017 nan 8.240 nan 0.000 0.527 277 V N 1.400 121.292 119.914 -0.036 0.000 2.324 277 V HA -0.075 4.045 4.120 0.001 0.000 0.250 277 V C 2.611 178.699 176.094 -0.010 0.000 1.060 277 V CA 2.821 65.101 62.300 -0.034 0.000 1.042 277 V CB -1.503 30.263 31.823 -0.096 0.000 0.650 277 V HN 1.118 nan 8.190 nan 0.000 0.450 278 G N -0.573 108.224 108.800 -0.004 0.000 2.475 278 G HA2 -0.234 3.726 3.960 0.001 0.000 0.220 278 G HA3 -0.234 3.726 3.960 0.001 0.000 0.220 278 G C 1.559 176.479 174.900 0.033 0.000 1.125 278 G CA 0.864 45.976 45.100 0.019 0.000 0.755 278 G HN 0.744 nan 8.290 nan 0.000 0.565 279 G N 0.136 108.960 108.800 0.040 0.000 2.498 279 G HA2 -0.071 3.889 3.960 0.001 0.000 0.219 279 G HA3 -0.071 3.889 3.960 0.001 0.000 0.219 279 G C 1.666 176.597 174.900 0.051 0.000 1.119 279 G CA 1.038 46.163 45.100 0.042 0.000 0.766 279 G HN 0.359 nan 8.290 nan 0.000 0.552 280 V N 0.393 120.335 119.914 0.047 0.000 2.307 280 V HA -0.199 3.921 4.120 0.001 0.000 0.245 280 V C 3.004 179.138 176.094 0.066 0.000 1.045 280 V CA 1.770 64.105 62.300 0.057 0.000 1.024 280 V CB -0.716 31.132 31.823 0.042 0.000 0.651 280 V HN 0.498 nan 8.190 nan 0.000 0.449 281 C N 0.716 120.048 119.300 0.052 0.000 2.462 281 C HA -0.140 4.321 4.460 0.001 0.000 0.278 281 C C 3.181 178.212 174.990 0.068 0.000 1.253 281 C CA 1.725 60.778 59.018 0.058 0.000 1.713 281 C CB -1.356 26.408 27.740 0.040 0.000 2.049 281 C HN 0.752 nan 8.230 nan 0.000 0.477 282 T N -1.090 113.499 114.554 0.058 0.000 2.915 282 T HA 0.006 4.356 4.350 0.001 0.000 0.269 282 T C 1.710 176.454 174.700 0.075 0.000 1.071 282 T CA 1.750 63.887 62.100 0.060 0.000 1.132 282 T CB -0.507 68.388 68.868 0.045 0.000 0.878 282 T HN 0.545 nan 8.240 nan 0.000 0.479 283 G N 0.251 109.098 108.800 0.079 0.000 2.939 283 G HA2 0.382 4.342 3.960 0.001 0.000 0.210 283 G HA3 0.382 4.342 3.960 0.001 0.000 0.210 283 G C 1.183 176.152 174.900 0.115 0.000 1.160 283 G CA -0.010 45.141 45.100 0.086 0.000 0.770 283 G HN 0.544 nan 8.290 nan 0.000 0.543 284 L N -1.226 120.083 121.223 0.144 0.000 2.948 284 L HA 0.336 4.676 4.340 0.001 0.000 0.259 284 L C 1.597 178.589 176.870 0.203 0.000 1.136 284 L CA 0.333 55.305 54.840 0.220 0.000 0.959 284 L CB 0.679 42.877 42.059 0.232 0.000 1.370 284 L HN 0.198 nan 8.230 nan 0.000 0.552 285 G N 2.494 111.383 108.800 0.149 0.000 2.212 285 G HA2 -0.256 3.705 3.960 0.001 0.000 0.255 285 G HA3 -0.256 3.705 3.960 0.001 0.000 0.255 285 G C 0.012 174.994 174.900 0.136 0.000 1.062 285 G CA 0.507 45.688 45.100 0.135 0.000 0.815 285 G HN 0.443 nan 8.290 nan 0.000 0.497 286 I N -2.308 118.334 120.570 0.121 0.000 2.530 286 I HA 0.831 5.002 4.170 0.001 0.000 0.297 286 I C -2.128 174.040 176.117 0.084 0.000 1.011 286 I CA -3.174 58.195 61.300 0.114 0.000 1.107 286 I CB 2.423 40.482 38.000 0.099 0.000 1.285 286 I HN -0.060 nan 8.210 nan 0.000 0.436 287 P HA 0.302 nan 4.420 nan 0.000 0.276 287 P C -2.218 175.102 177.300 0.034 0.000 1.252 287 P CA -1.498 61.636 63.100 0.057 0.000 0.802 287 P CB 0.401 32.141 31.700 0.066 0.000 1.035 288 P HA -0.220 nan 4.420 nan 0.000 0.217 288 P C 1.447 178.741 177.300 -0.009 0.000 1.151 288 P CA 1.818 64.917 63.100 -0.002 0.000 0.849 288 P CB -0.193 31.501 31.700 -0.010 0.000 0.787 289 Q N 0.041 119.840 119.800 -0.001 0.000 2.437 289 Q HA -0.098 4.243 4.340 0.001 0.000 0.210 289 Q C 0.547 176.532 176.000 -0.024 0.000 0.972 289 Q CA 1.216 57.012 55.803 -0.012 0.000 0.903 289 Q CB -1.265 27.472 28.738 -0.002 0.000 0.967 289 Q HN 0.350 nan 8.270 nan 0.000 0.486 290 N N 0.326 119.016 118.700 -0.016 0.000 2.279 290 N HA 0.309 5.050 4.740 0.001 0.000 0.226 290 N C -0.775 174.714 175.510 -0.035 0.000 1.126 290 N CA -0.067 52.961 53.050 -0.038 0.000 0.846 290 N CB 0.629 39.102 38.487 -0.023 0.000 1.050 290 N HN 0.187 nan 8.380 nan 0.000 0.502 291 I N 0.270 120.820 120.570 -0.033 0.000 2.355 291 I HA 0.350 4.520 4.170 0.001 0.000 0.288 291 I C 1.002 177.088 176.117 -0.052 0.000 0.999 291 I CA -0.682 60.596 61.300 -0.037 0.000 1.163 291 I CB 1.535 39.516 38.000 -0.032 0.000 1.316 291 I HN 0.107 nan 8.210 nan 0.000 0.454 292 G N 5.173 113.935 108.800 -0.064 0.000 3.411 292 G HA2 0.119 4.079 3.960 0.001 0.000 0.186 292 G HA3 0.119 4.079 3.960 0.001 0.000 0.186 292 G C -0.108 174.728 174.900 -0.105 0.000 1.766 292 G CA -0.268 44.789 45.100 -0.073 0.000 0.971 292 G HN 0.483 nan 8.290 nan 0.000 0.590 293 D N 0.438 120.743 120.400 -0.159 0.000 2.455 293 D HA 0.288 4.928 4.640 0.001 0.000 0.241 293 D C -0.443 175.606 176.300 -0.418 0.000 1.138 293 D CA 0.450 54.267 54.000 -0.306 0.000 0.877 293 D CB 1.978 42.494 40.800 -0.475 0.000 1.187 293 D HN -0.099 nan 8.370 nan 0.000 0.451 294 V N 4.174 123.905 119.914 -0.305 0.000 2.349 294 V HA 0.109 4.230 4.120 0.001 0.000 0.284 294 V C -0.784 175.336 176.094 0.044 0.000 1.014 294 V CA -0.810 61.413 62.300 -0.128 0.000 0.826 294 V CB 0.287 32.119 31.823 0.015 0.000 1.009 294 V HN 0.315 nan 8.190 nan 0.000 0.431 295 Y N 2.177 122.588 120.300 0.186 0.000 2.313 295 Y HA 0.651 5.201 4.550 0.001 0.000 0.332 295 Y C 0.975 176.877 175.900 0.003 0.000 1.071 295 Y CA -1.123 57.053 58.100 0.128 0.000 1.169 295 Y CB 1.511 40.050 38.460 0.132 0.000 1.192 295 Y HN 0.620 nan 8.280 nan 0.000 0.487 296 G N 2.518 111.207 108.800 -0.184 0.000 2.347 296 G HA2 0.475 4.436 3.960 0.001 0.000 0.314 296 G HA3 0.475 4.436 3.960 0.001 0.000 0.314 296 G C -1.140 173.507 174.900 -0.422 0.000 1.126 296 G CA -0.575 44.015 45.100 -0.850 0.000 0.929 296 G HN 0.470 nan 8.290 nan 0.000 0.441 297 V N 3.528 123.301 119.914 -0.235 0.000 2.408 297 V HA 0.338 4.459 4.120 0.001 0.000 0.267 297 V C 0.436 176.433 176.094 -0.161 0.000 1.047 297 V CA -0.572 61.636 62.300 -0.152 0.000 0.937 297 V CB 0.940 32.694 31.823 -0.114 0.000 0.999 297 V HN 0.621 nan 8.190 nan 0.000 0.472 298 V N 4.978 124.813 119.914 -0.132 0.000 2.448 298 V HA 0.567 4.687 4.120 0.001 0.000 0.295 298 V C -0.107 175.955 176.094 -0.053 0.000 1.025 298 V CA -0.882 61.360 62.300 -0.097 0.000 0.859 298 V CB 1.500 33.266 31.823 -0.094 0.000 0.988 298 V HN 0.881 nan 8.190 nan 0.000 0.431 299 K N 4.762 125.114 120.400 -0.079 0.000 2.326 299 K HA 0.532 4.853 4.320 0.001 0.000 0.275 299 K C 1.289 177.873 176.600 -0.027 0.000 1.018 299 K CA 0.383 56.586 56.287 -0.140 0.000 0.962 299 K CB 1.527 33.836 32.500 -0.318 0.000 0.953 299 K HN 0.992 nan 8.250 nan 0.000 0.475 300 A N 4.039 126.901 122.820 0.071 0.000 2.178 300 A HA -0.078 4.243 4.320 0.001 0.000 0.218 300 A C -0.098 177.773 177.584 0.478 0.000 1.157 300 A CA 1.099 53.355 52.037 0.365 0.000 0.689 300 A CB -0.614 18.662 19.000 0.461 0.000 0.787 300 A HN 0.726 nan 8.150 nan 0.000 0.465 301 Y N -4.523 115.940 120.300 0.271 0.000 2.677 301 Y HA 0.701 5.252 4.550 0.001 0.000 0.334 301 Y C -0.404 175.656 175.900 0.268 0.000 1.154 301 Y CA -1.351 56.924 58.100 0.292 0.000 1.070 301 Y CB 0.333 38.921 38.460 0.212 0.000 1.294 301 Y HN -0.191 nan 8.280 nan 0.000 0.475 302 T N 1.722 116.543 114.554 0.446 0.000 2.859 302 T HA 0.654 5.004 4.350 0.001 0.000 0.281 302 T C -0.442 174.545 174.700 0.479 0.000 1.005 302 T CA -0.451 61.885 62.100 0.393 0.000 1.025 302 T CB 1.269 70.487 68.868 0.583 0.000 0.977 302 T HN 0.903 nan 8.240 nan 0.000 0.458 303 T N 0.455 115.147 114.554 0.232 0.000 2.896 303 T HA 0.795 5.146 4.350 0.001 0.000 0.297 303 T C -0.852 173.816 174.700 -0.054 0.000 1.108 303 T CA -1.114 61.096 62.100 0.184 0.000 1.004 303 T CB 2.333 71.295 68.868 0.156 0.000 1.159 303 T HN 0.608 nan 8.240 nan 0.000 0.499 304 R N 1.016 121.434 120.500 -0.136 0.000 2.707 304 R HA 0.692 5.033 4.340 0.001 0.000 0.272 304 R C -0.541 175.698 176.300 -0.103 0.000 1.011 304 R CA -0.723 55.202 56.100 -0.293 0.000 0.893 304 R CB 2.312 32.114 30.300 -0.829 0.000 1.233 304 R HN 0.538 nan 8.270 nan 0.000 0.464 305 V N 0.958 120.819 119.914 -0.089 0.000 2.735 305 V HA 0.284 4.404 4.120 0.001 0.000 0.234 305 V C 1.306 177.376 176.094 -0.041 0.000 1.121 305 V CA 1.007 63.296 62.300 -0.019 0.000 1.160 305 V CB -0.062 31.776 31.823 0.026 0.000 0.908 305 V HN 0.878 nan 8.190 nan 0.000 0.495 306 G N 0.492 109.259 108.800 -0.056 0.000 2.486 306 G HA2 0.352 4.312 3.960 0.001 0.000 0.272 306 G HA3 0.352 4.312 3.960 0.001 0.000 0.272 306 G C -0.017 174.807 174.900 -0.127 0.000 1.426 306 G CA -0.399 44.672 45.100 -0.049 0.000 1.058 306 G HN 0.098 nan 8.290 nan 0.000 0.531 307 I N 0.426 120.916 120.570 -0.134 0.000 2.945 307 I HA 0.555 4.725 4.170 0.001 0.000 0.292 307 I C 1.036 176.796 176.117 -0.595 0.000 1.093 307 I CA 0.767 61.868 61.300 -0.332 0.000 1.336 307 I CB -0.050 37.745 38.000 -0.341 0.000 1.435 307 I HN 0.971 nan 8.210 nan 0.000 0.593 308 G N 2.073 110.389 108.800 -0.808 0.000 2.334 308 G HA2 0.370 4.331 3.960 0.001 0.000 0.566 308 G HA3 0.370 4.331 3.960 0.001 0.000 0.566 308 G C -0.783 173.899 174.900 -0.363 0.000 1.413 308 G CA -0.436 44.224 45.100 -0.733 0.000 0.993 308 G HN 0.882 nan 8.290 nan 0.000 0.642 309 A N 0.029 122.751 122.820 -0.164 0.000 2.520 309 A HA 0.568 4.888 4.320 0.001 0.000 0.235 309 A C -0.123 177.465 177.584 0.007 0.000 1.065 309 A CA 0.799 52.827 52.037 -0.015 0.000 0.764 309 A CB 0.266 19.325 19.000 0.098 0.000 1.002 309 A HN 1.997 nan 8.150 nan 0.000 0.502 310 F N 3.979 123.879 119.950 -0.084 0.000 3.020 310 F HA 0.382 4.909 4.527 0.001 0.000 0.389 310 F C -2.429 173.436 175.800 0.108 0.000 1.265 310 F CA -2.242 55.738 58.000 -0.033 0.000 1.195 310 F CB 0.476 39.361 39.000 -0.191 0.000 2.250 310 F HN 0.356 nan 8.300 nan 0.000 0.627 311 P HA -0.224 nan 4.420 nan 0.000 0.219 311 P C 1.473 178.894 177.300 0.201 0.000 1.158 311 P CA 2.875 66.085 63.100 0.183 0.000 0.895 311 P CB 0.088 31.827 31.700 0.066 0.000 0.792 312 T N -4.036 110.727 114.554 0.348 0.000 3.235 312 T HA 0.085 4.435 4.350 0.001 0.000 0.251 312 T C 0.438 175.051 174.700 -0.145 0.000 1.060 312 T CA -0.394 61.902 62.100 0.328 0.000 0.949 312 T CB -0.844 68.383 68.868 0.598 0.000 1.020 312 T HN 0.151 nan 8.240 nan 0.000 0.564 313 E N 2.041 121.802 120.200 -0.732 0.000 2.415 313 E HA -0.011 4.339 4.350 0.001 0.000 0.260 313 E C -0.394 175.924 176.600 -0.470 0.000 1.016 313 E CA -0.166 55.557 56.400 -1.127 0.000 0.924 313 E CB 0.349 29.374 29.700 -1.125 0.000 0.961 313 E HN 0.269 nan 8.360 nan 0.000 0.459 314 Q N 5.010 124.554 119.800 -0.427 0.000 2.430 314 Q HA 0.270 4.611 4.340 0.001 0.000 0.245 314 Q C -0.345 175.514 176.000 -0.235 0.000 1.021 314 Q CA -0.226 55.388 55.803 -0.315 0.000 0.867 314 Q CB 0.810 29.267 28.738 -0.468 0.000 1.210 314 Q HN 0.605 nan 8.270 nan 0.000 0.487 315 I N 3.778 124.247 120.570 -0.169 0.000 2.243 315 I HA 0.125 4.296 4.170 0.001 0.000 0.289 315 I C -0.109 175.948 176.117 -0.099 0.000 1.140 315 I CA -0.235 60.993 61.300 -0.119 0.000 1.289 315 I CB -0.340 37.603 38.000 -0.094 0.000 1.498 315 I HN 0.522 nan 8.210 nan 0.000 0.561 316 N N 1.731 120.364 118.700 -0.111 0.000 3.547 316 N HA 0.042 4.782 4.740 0.001 0.000 0.347 316 N C 0.467 175.916 175.510 -0.102 0.000 1.533 316 N CA -0.683 52.311 53.050 -0.093 0.000 0.848 316 N CB 0.281 38.715 38.487 -0.089 0.000 2.112 316 N HN 0.169 nan 8.380 nan 0.000 0.527 317 E N -0.380 119.766 120.200 -0.091 0.000 2.110 317 E HA -0.124 4.227 4.350 0.001 0.000 0.193 317 E C 1.118 177.639 176.600 -0.132 0.000 0.988 317 E CA 1.212 57.558 56.400 -0.090 0.000 0.804 317 E CB -0.244 29.415 29.700 -0.069 0.000 0.745 317 E HN 0.454 nan 8.360 nan 0.000 0.458 318 I N 2.000 122.464 120.570 -0.178 0.000 2.179 318 I HA -0.127 4.043 4.170 0.001 0.000 0.242 318 I C 2.700 178.616 176.117 -0.335 0.000 1.088 318 I CA 1.674 62.798 61.300 -0.293 0.000 1.357 318 I CB -1.790 35.951 38.000 -0.431 0.000 1.051 318 I HN 0.352 nan 8.210 nan 0.000 0.409 319 G N 0.819 109.441 108.800 -0.297 0.000 2.442 319 G HA2 -0.242 3.719 3.960 0.001 0.000 0.219 319 G HA3 -0.242 3.719 3.960 0.001 0.000 0.219 319 G C 1.302 176.111 174.900 -0.152 0.000 1.141 319 G CA 0.813 45.770 45.100 -0.239 0.000 0.763 319 G HN 0.344 nan 8.290 nan 0.000 0.554 320 D N 0.046 120.374 120.400 -0.119 0.000 2.144 320 D HA -0.068 4.573 4.640 0.001 0.000 0.200 320 D C 2.389 178.648 176.300 -0.069 0.000 0.978 320 D CA 0.489 54.450 54.000 -0.065 0.000 0.833 320 D CB -0.162 40.606 40.800 -0.053 0.000 0.961 320 D HN 0.271 nan 8.370 nan 0.000 0.470 321 L N 0.659 121.809 121.223 -0.121 0.000 2.093 321 L HA -0.074 4.266 4.340 0.001 0.000 0.208 321 L C 2.155 178.923 176.870 -0.169 0.000 1.085 321 L CA 1.203 55.967 54.840 -0.127 0.000 0.755 321 L CB -0.307 41.659 42.059 -0.156 0.000 0.904 321 L HN -0.034 nan 8.230 nan 0.000 0.435 322 L N -1.391 119.678 121.223 -0.258 0.000 2.109 322 L HA -0.154 4.187 4.340 0.001 0.000 0.207 322 L C 2.564 179.314 176.870 -0.201 0.000 1.086 322 L CA 0.960 55.561 54.840 -0.397 0.000 0.760 322 L CB -0.553 41.152 42.059 -0.589 0.000 0.910 322 L HN 0.332 nan 8.230 nan 0.000 0.437 323 Q N -0.081 119.684 119.800 -0.057 0.000 2.050 323 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 323 Q C 2.024 178.126 176.000 0.171 0.000 0.980 323 Q CA 1.419 57.273 55.803 0.084 0.000 0.840 323 Q CB -0.107 28.715 28.738 0.139 0.000 0.898 323 Q HN 0.518 nan 8.270 nan 0.000 0.424 324 N N 0.486 119.288 118.700 0.170 0.000 2.135 324 N HA -0.086 4.654 4.740 0.001 0.000 0.186 324 N C 1.707 177.358 175.510 0.235 0.000 1.027 324 N CA 1.012 54.230 53.050 0.281 0.000 0.849 324 N CB -0.103 38.483 38.487 0.165 0.000 1.002 324 N HN 0.189 nan 8.380 nan 0.000 0.425 325 R N -0.008 120.523 120.500 0.052 0.000 2.148 325 R HA 0.026 4.367 4.340 0.001 0.000 0.223 325 R C 1.851 178.070 176.300 -0.135 0.000 1.088 325 R CA 1.011 57.094 56.100 -0.027 0.000 0.985 325 R CB -0.142 30.103 30.300 -0.091 0.000 0.880 325 R HN 0.166 nan 8.270 nan 0.000 0.451 326 G N -0.746 107.989 108.800 -0.108 0.000 3.088 326 G HA2 -0.065 3.895 3.960 0.001 0.000 0.217 326 G HA3 -0.065 3.895 3.960 0.001 0.000 0.217 326 G C -0.541 174.233 174.900 -0.210 0.000 1.159 326 G CA -0.282 44.758 45.100 -0.100 0.000 0.760 326 G HN 0.326 nan 8.290 nan 0.000 0.550 327 H N 0.482 119.297 119.070 -0.424 0.000 2.655 327 H HA -0.107 4.450 4.556 0.001 0.000 0.313 327 H C -0.058 174.485 175.328 -1.308 0.000 1.141 327 H CA 0.663 55.936 56.048 -1.292 0.000 1.138 327 H CB -1.695 27.522 29.762 -0.909 0.000 1.446 327 H HN 0.386 nan 8.280 nan 0.000 0.415 328 E N 0.474 120.386 120.200 -0.480 0.000 1.802 328 E HA 0.225 4.576 4.350 0.001 0.000 0.265 328 E C 0.409 177.026 176.600 0.029 0.000 1.168 328 E CA 0.045 56.338 56.400 -0.178 0.000 1.033 328 E CB -0.397 29.342 29.700 0.065 0.000 1.095 328 E HN 0.561 nan 8.360 nan 0.000 0.436 329 W N -0.492 120.863 121.300 0.091 0.000 3.248 329 W HA 0.529 5.189 4.660 0.001 0.000 0.311 329 W C -0.079 176.472 176.519 0.054 0.000 1.258 329 W CA -1.668 55.712 57.345 0.058 0.000 1.191 329 W CB -0.116 29.364 29.460 0.034 0.000 1.389 329 W HN 0.242 nan 8.180 nan 0.000 0.561 330 G N 1.357 110.359 108.800 0.336 0.000 2.265 330 G HA2 0.185 4.146 3.960 0.001 0.000 0.240 330 G HA3 0.185 4.146 3.960 0.001 0.000 0.240 330 G C 0.521 175.592 174.900 0.285 0.000 1.270 330 G CA 0.156 45.395 45.100 0.232 0.000 0.901 330 G HN 1.250 nan 8.290 nan 0.000 0.507 331 V N 2.458 122.491 119.914 0.198 0.000 2.392 331 V HA -0.179 3.942 4.120 0.001 0.000 0.249 331 V C 2.643 178.828 176.094 0.152 0.000 1.059 331 V CA 3.356 65.765 62.300 0.183 0.000 1.051 331 V CB -0.354 31.549 31.823 0.134 0.000 0.658 331 V HN 0.997 nan 8.190 nan 0.000 0.455 332 T N -5.251 109.372 114.554 0.116 0.000 2.999 332 T HA -0.025 4.325 4.350 0.001 0.000 0.247 332 T C 1.839 176.572 174.700 0.055 0.000 1.012 332 T CA 1.108 63.250 62.100 0.069 0.000 1.048 332 T CB -0.058 68.834 68.868 0.040 0.000 1.020 332 T HN 0.464 nan 8.240 nan 0.000 0.478 333 T N 0.335 114.931 114.554 0.071 0.000 2.896 333 T HA 0.304 4.655 4.350 0.001 0.000 0.263 333 T C 2.010 176.736 174.700 0.044 0.000 1.050 333 T CA 1.878 64.009 62.100 0.051 0.000 1.140 333 T CB -1.086 67.817 68.868 0.058 0.000 0.877 333 T HN 1.029 nan 8.240 nan 0.000 0.457 334 G N 1.881 110.734 108.800 0.089 0.000 2.179 334 G HA2 -0.319 3.642 3.960 0.001 0.000 0.260 334 G HA3 -0.319 3.642 3.960 0.001 0.000 0.260 334 G C 0.239 175.171 174.900 0.053 0.000 0.977 334 G CA 0.351 45.460 45.100 0.014 0.000 0.641 334 G HN 0.986 nan 8.290 nan 0.000 0.533 335 R N 0.368 120.928 120.500 0.100 0.000 2.458 335 R HA 0.433 4.774 4.340 0.001 0.000 0.303 335 R C 0.411 176.820 176.300 0.183 0.000 1.013 335 R CA 0.133 56.292 56.100 0.099 0.000 1.026 335 R CB 0.219 30.564 30.300 0.076 0.000 0.948 335 R HN 0.334 nan 8.270 nan 0.000 0.417 336 K N 3.332 123.832 120.400 0.167 0.000 2.401 336 K HA 0.108 4.428 4.320 0.001 0.000 0.278 336 K C -0.358 176.342 176.600 0.167 0.000 1.018 336 K CA -0.265 56.159 56.287 0.228 0.000 0.981 336 K CB 0.678 33.284 32.500 0.178 0.000 0.933 336 K HN 0.514 nan 8.250 nan 0.000 0.477 337 R N 2.336 122.942 120.500 0.177 0.000 2.500 337 R HA 0.251 4.591 4.340 0.001 0.000 0.275 337 R C -0.179 176.211 176.300 0.150 0.000 1.051 337 R CA -0.841 55.339 56.100 0.134 0.000 1.088 337 R CB 0.750 31.122 30.300 0.120 0.000 1.063 337 R HN 0.597 nan 8.270 nan 0.000 0.511 338 R N 0.842 121.439 120.500 0.161 0.000 2.491 338 R HA 0.180 4.520 4.340 0.001 0.000 0.283 338 R C -0.494 176.048 176.300 0.403 0.000 1.072 338 R CA -0.099 56.145 56.100 0.239 0.000 1.048 338 R CB 0.431 30.913 30.300 0.303 0.000 0.983 338 R HN 0.502 nan 8.270 nan 0.000 0.450 339 C N 1.468 120.931 119.300 0.271 0.000 2.614 339 C HA 0.916 5.377 4.460 0.001 0.000 0.320 339 C C 0.632 175.666 174.990 0.074 0.000 1.200 339 C CA -0.503 58.694 59.018 0.298 0.000 1.700 339 C CB 1.700 29.521 27.740 0.136 0.000 2.275 339 C HN 0.988 nan 8.230 nan 0.000 0.492 340 G N -0.174 108.769 108.800 0.239 0.000 2.645 340 G HA2 0.590 4.551 3.960 0.001 0.000 0.292 340 G HA3 0.590 4.551 3.960 0.001 0.000 0.292 340 G C -1.718 173.305 174.900 0.205 0.000 1.415 340 G CA -0.698 44.386 45.100 -0.028 0.000 0.785 340 G HN 0.736 nan 8.290 nan 0.000 0.483 341 W N -0.647 120.810 121.300 0.261 0.000 2.079 341 W HA 0.456 5.116 4.660 0.001 0.000 0.354 341 W C 0.795 177.556 176.519 0.402 0.000 1.302 341 W CA -0.583 56.946 57.345 0.307 0.000 1.281 341 W CB 0.648 30.277 29.460 0.283 0.000 1.165 341 W HN 0.400 nan 8.180 nan 0.000 0.603 342 L N 2.973 124.604 121.223 0.679 0.000 2.525 342 L HA -0.012 4.329 4.340 0.001 0.000 0.278 342 L C -0.122 177.012 176.870 0.440 0.000 1.218 342 L CA 0.883 56.015 54.840 0.487 0.000 0.878 342 L CB 0.004 42.314 42.059 0.418 0.000 1.127 342 L HN 0.259 nan 8.230 nan 0.000 0.492 343 D N 4.515 125.134 120.400 0.365 0.000 2.454 343 D HA 0.156 4.796 4.640 0.001 0.000 0.247 343 D C 0.803 177.212 176.300 0.182 0.000 1.129 343 D CA -0.268 53.925 54.000 0.321 0.000 0.877 343 D CB 0.872 41.932 40.800 0.434 0.000 1.082 343 D HN 0.630 nan 8.370 nan 0.000 0.537 344 L N 2.784 124.082 121.223 0.125 0.000 2.362 344 L HA -0.105 4.236 4.340 0.001 0.000 0.219 344 L C 2.250 179.124 176.870 0.006 0.000 1.134 344 L CA 0.496 55.375 54.840 0.066 0.000 0.807 344 L CB -0.157 41.937 42.059 0.059 0.000 0.927 344 L HN 0.458 nan 8.230 nan 0.000 0.447 345 M N -0.053 119.506 119.600 -0.068 0.000 2.099 345 M HA -0.174 4.307 4.480 0.001 0.000 0.262 345 M C 2.468 178.730 176.300 -0.063 0.000 1.067 345 M CA 1.861 57.066 55.300 -0.159 0.000 1.124 345 M CB -0.747 31.446 32.600 -0.678 0.000 1.353 345 M HN 0.345 nan 8.290 nan 0.000 0.410 346 I N -2.339 118.188 120.570 -0.071 0.000 2.439 346 I HA -0.206 3.964 4.170 0.001 0.000 0.251 346 I C 2.026 178.059 176.117 -0.140 0.000 1.139 346 I CA 1.096 62.213 61.300 -0.306 0.000 1.438 346 I CB -0.551 37.203 38.000 -0.410 0.000 1.085 346 I HN 0.123 nan 8.210 nan 0.000 0.427 347 L N 0.788 121.990 121.223 -0.034 0.000 2.056 347 L HA -0.073 4.267 4.340 0.001 0.000 0.207 347 L C 2.957 179.888 176.870 0.102 0.000 1.078 347 L CA 1.360 56.223 54.840 0.039 0.000 0.749 347 L CB -0.561 41.524 42.059 0.044 0.000 0.901 347 L HN 0.174 nan 8.230 nan 0.000 0.433 348 R N -1.218 119.330 120.500 0.080 0.000 2.115 348 R HA -0.181 4.160 4.340 0.001 0.000 0.226 348 R C 2.285 178.639 176.300 0.089 0.000 1.100 348 R CA 1.346 57.511 56.100 0.109 0.000 0.980 348 R CB -0.345 30.005 30.300 0.084 0.000 0.875 348 R HN 0.290 nan 8.270 nan 0.000 0.445 349 Y N 1.130 121.378 120.300 -0.088 0.000 2.200 349 Y HA -0.154 4.397 4.550 0.001 0.000 0.290 349 Y C 2.207 177.997 175.900 -0.182 0.000 1.137 349 Y CA 1.239 59.248 58.100 -0.153 0.000 1.163 349 Y CB -0.337 37.927 38.460 -0.327 0.000 0.988 349 Y HN 0.010 nan 8.280 nan 0.000 0.518 350 A N -0.619 122.107 122.820 -0.158 0.000 1.933 350 A HA -0.262 4.058 4.320 0.001 0.000 0.218 350 A C 2.036 179.438 177.584 -0.304 0.000 1.175 350 A CA 2.013 53.934 52.037 -0.193 0.000 0.628 350 A CB -1.262 17.791 19.000 0.088 0.000 0.814 350 A HN 0.717 nan 8.150 nan 0.000 0.444 351 H N -0.641 118.297 119.070 -0.220 0.000 2.423 351 H HA 0.055 4.612 4.556 0.001 0.000 0.297 351 H C 1.864 176.925 175.328 -0.444 0.000 1.075 351 H CA 1.904 57.720 56.048 -0.387 0.000 1.342 351 H CB -0.309 29.449 29.762 -0.007 0.000 1.395 351 H HN 0.439 nan 8.280 nan 0.000 0.530 352 M N -0.400 118.921 119.600 -0.465 0.000 2.108 352 M HA -0.150 4.331 4.480 0.001 0.000 0.261 352 M C 2.273 178.209 176.300 -0.605 0.000 1.066 352 M CA 1.957 56.953 55.300 -0.507 0.000 1.107 352 M CB -0.008 32.361 32.600 -0.384 0.000 1.356 352 M HN 0.364 nan 8.290 nan 0.000 0.406 353 V N -2.982 116.498 119.914 -0.723 0.000 2.725 353 V HA 0.011 4.131 4.120 0.001 0.000 0.247 353 V C 1.534 177.265 176.094 -0.604 0.000 1.058 353 V CA 1.320 63.173 62.300 -0.746 0.000 1.080 353 V CB -0.701 30.509 31.823 -1.023 0.000 0.713 353 V HN 0.366 nan 8.190 nan 0.000 0.465 354 N N 1.266 119.556 118.700 -0.683 0.000 2.405 354 N HA 0.156 4.897 4.740 0.001 0.000 0.175 354 N C 1.554 176.683 175.510 -0.635 0.000 1.051 354 N CA 1.125 53.778 53.050 -0.662 0.000 0.899 354 N CB 0.221 38.172 38.487 -0.893 0.000 1.000 354 N HN 0.775 nan 8.380 nan 0.000 0.451 355 G N 1.710 110.062 108.800 -0.747 0.000 2.350 355 G HA2 -0.288 3.673 3.960 0.001 0.000 0.298 355 G HA3 -0.288 3.673 3.960 0.001 0.000 0.298 355 G C -0.164 174.647 174.900 -0.147 0.000 1.037 355 G CA -0.170 44.608 45.100 -0.537 0.000 1.074 355 G HN 0.292 nan 8.290 nan 0.000 0.511 356 F N -0.281 119.838 119.950 0.282 0.000 2.629 356 F HA 0.228 4.755 4.527 0.001 0.000 0.369 356 F C 2.125 178.046 175.800 0.202 0.000 1.125 356 F CA 0.695 58.827 58.000 0.221 0.000 1.330 356 F CB 0.601 39.709 39.000 0.179 0.000 1.071 356 F HN 0.242 nan 8.300 nan 0.000 0.595 357 T N -0.669 114.086 114.554 0.335 0.000 3.014 357 T HA 0.605 4.955 4.350 0.001 0.000 0.250 357 T C 0.228 175.103 174.700 0.292 0.000 1.060 357 T CA 0.276 62.518 62.100 0.237 0.000 1.040 357 T CB 0.242 69.194 68.868 0.140 0.000 0.971 357 T HN 0.781 nan 8.240 nan 0.000 0.497 358 A N 0.446 123.491 122.820 0.375 0.000 2.597 358 A HA 0.676 4.996 4.320 0.001 0.000 0.292 358 A C -1.833 175.865 177.584 0.189 0.000 1.057 358 A CA -1.048 51.164 52.037 0.291 0.000 0.674 358 A CB 0.632 19.807 19.000 0.292 0.000 1.278 358 A HN 0.291 nan 8.150 nan 0.000 0.416 359 L N 0.309 121.547 121.223 0.025 0.000 2.322 359 L HA 0.850 5.191 4.340 0.001 0.000 0.269 359 L C 0.358 177.216 176.870 -0.019 0.000 1.012 359 L CA -0.904 53.900 54.840 -0.059 0.000 0.815 359 L CB 2.156 44.152 42.059 -0.104 0.000 1.295 359 L HN 0.959 nan 8.230 nan 0.000 0.438 360 A N 2.437 125.248 122.820 -0.014 0.000 2.360 360 A HA 0.574 4.895 4.320 0.001 0.000 0.309 360 A C -1.063 176.526 177.584 0.008 0.000 1.311 360 A CA -0.378 51.692 52.037 0.055 0.000 0.805 360 A CB 0.754 19.762 19.000 0.014 0.000 1.144 360 A HN 0.489 nan 8.150 nan 0.000 0.486 361 L N 4.171 125.423 121.223 0.047 0.000 2.268 361 L HA 0.527 4.867 4.340 0.001 0.000 0.289 361 L C 0.700 177.616 176.870 0.077 0.000 1.064 361 L CA 0.518 55.395 54.840 0.062 0.000 0.824 361 L CB 0.598 42.719 42.059 0.103 0.000 1.202 361 L HN 0.732 nan 8.230 nan 0.000 0.433 362 T N 0.811 115.390 114.554 0.041 0.000 2.952 362 T HA 0.475 4.825 4.350 0.001 0.000 0.286 362 T C 0.188 174.923 174.700 0.059 0.000 1.024 362 T CA -0.712 61.407 62.100 0.030 0.000 1.029 362 T CB 1.084 69.934 68.868 -0.029 0.000 1.094 362 T HN 0.592 nan 8.240 nan 0.000 0.515 363 K N -0.057 120.383 120.400 0.066 0.000 3.071 363 K HA -0.164 4.156 4.320 0.001 0.000 0.265 363 K C 0.623 177.357 176.600 0.224 0.000 1.060 363 K CA 0.455 56.818 56.287 0.126 0.000 0.767 363 K CB -1.764 30.805 32.500 0.115 0.000 1.241 363 K HN 0.508 nan 8.250 nan 0.000 0.486 364 L N 1.951 123.297 121.223 0.205 0.000 2.093 364 L HA -0.155 4.186 4.340 0.001 0.000 0.208 364 L C 2.266 179.327 176.870 0.318 0.000 1.085 364 L CA 2.394 57.398 54.840 0.274 0.000 0.755 364 L CB -0.273 41.903 42.059 0.196 0.000 0.904 364 L HN 0.411 nan 8.230 nan 0.000 0.435 365 D N -0.649 119.881 120.400 0.217 0.000 2.265 365 D HA -0.246 4.395 4.640 0.001 0.000 0.208 365 D C 1.953 178.334 176.300 0.136 0.000 0.977 365 D CA 1.096 55.213 54.000 0.194 0.000 0.871 365 D CB -0.261 40.604 40.800 0.107 0.000 0.925 365 D HN 0.344 nan 8.370 nan 0.000 0.485 366 I N 1.405 122.049 120.570 0.123 0.000 2.286 366 I HA -0.185 3.986 4.170 0.001 0.000 0.248 366 I C 2.459 178.544 176.117 -0.054 0.000 1.115 366 I CA 0.685 62.001 61.300 0.025 0.000 1.392 366 I CB -0.887 37.155 38.000 0.070 0.000 1.065 366 I HN 0.132 nan 8.210 nan 0.000 0.418 367 L N 0.167 121.384 121.223 -0.011 0.000 2.599 367 L HA -0.055 4.286 4.340 0.001 0.000 0.230 367 L C 1.611 178.162 176.870 -0.532 0.000 1.141 367 L CA 0.084 54.776 54.840 -0.246 0.000 0.877 367 L CB -0.584 41.306 42.059 -0.282 0.000 1.009 367 L HN 0.123 nan 8.230 nan 0.000 0.447 368 D N 0.332 120.595 120.400 -0.228 0.000 2.228 368 D HA -0.159 4.482 4.640 0.001 0.000 0.203 368 D C 2.132 178.212 176.300 -0.366 0.000 0.988 368 D CA 1.103 54.948 54.000 -0.259 0.000 0.864 368 D CB 0.121 40.953 40.800 0.053 0.000 0.928 368 D HN 0.153 nan 8.370 nan 0.000 0.469 369 V N 0.324 120.070 119.914 -0.279 0.000 3.235 369 V HA 0.015 4.135 4.120 0.001 0.000 0.259 369 V C 1.120 177.071 176.094 -0.238 0.000 1.133 369 V CA 0.184 62.355 62.300 -0.215 0.000 1.128 369 V CB -0.038 31.702 31.823 -0.139 0.000 0.757 369 V HN 0.113 nan 8.190 nan 0.000 0.469 370 L N -0.058 120.976 121.223 -0.314 0.000 2.380 370 L HA 0.196 4.537 4.340 0.001 0.000 0.273 370 L C 1.551 178.262 176.870 -0.264 0.000 1.138 370 L CA 0.113 54.807 54.840 -0.243 0.000 0.832 370 L CB 1.110 43.054 42.059 -0.192 0.000 1.124 370 L HN 0.025 nan 8.230 nan 0.000 0.454 371 S N 1.111 116.713 115.700 -0.163 0.000 2.406 371 S HA -0.063 4.408 4.470 0.001 0.000 0.228 371 S C 0.370 174.888 174.600 -0.137 0.000 1.020 371 S CA 0.812 58.931 58.200 -0.136 0.000 0.965 371 S CB -0.036 63.111 63.200 -0.087 0.000 0.798 371 S HN 0.799 nan 8.310 nan 0.000 0.488 372 E N -0.463 119.656 120.200 -0.135 0.000 2.383 372 E HA 0.635 4.985 4.350 0.001 0.000 0.275 372 E C -1.508 174.974 176.600 -0.197 0.000 0.918 372 E CA -0.843 55.466 56.400 -0.152 0.000 0.764 372 E CB 1.458 31.078 29.700 -0.135 0.000 1.252 372 E HN 0.089 nan 8.360 nan 0.000 0.449 373 I N 1.389 121.801 120.570 -0.264 0.000 2.498 373 I HA 0.366 4.536 4.170 0.001 0.000 0.290 373 I C -0.565 175.182 176.117 -0.616 0.000 1.032 373 I CA -0.937 60.136 61.300 -0.378 0.000 1.073 373 I CB 2.043 39.934 38.000 -0.182 0.000 1.251 373 I HN 0.362 nan 8.210 nan 0.000 0.426 374 K N 4.894 124.461 120.400 -1.389 0.000 2.138 374 K HA 0.730 5.050 4.320 0.001 0.000 0.263 374 K C -1.090 175.164 176.600 -0.578 0.000 0.965 374 K CA -0.776 54.788 56.287 -1.204 0.000 0.868 374 K CB 2.878 34.197 32.500 -1.967 0.000 1.083 374 K HN 0.380 nan 8.250 nan 0.000 0.443 375 V N 0.536 120.379 119.914 -0.118 0.000 2.686 375 V HA 0.599 4.720 4.120 0.001 0.000 0.306 375 V C -0.422 175.824 176.094 0.254 0.000 1.065 375 V CA -0.469 61.927 62.300 0.161 0.000 0.894 375 V CB 1.679 33.525 31.823 0.038 0.000 1.004 375 V HN 0.835 nan 8.190 nan 0.000 0.424 376 G N 4.970 113.933 108.800 0.272 0.000 2.378 376 G HA2 0.447 4.408 3.960 0.001 0.000 0.255 376 G HA3 0.447 4.408 3.960 0.001 0.000 0.255 376 G C 0.554 175.473 174.900 0.032 0.000 1.270 376 G CA 0.153 45.248 45.100 -0.008 0.000 0.876 376 G HN 1.489 nan 8.290 nan 0.000 0.521 377 I N 0.010 120.571 120.570 -0.015 0.000 4.035 377 I HA 0.359 4.529 4.170 0.001 0.000 0.321 377 I C 0.613 176.705 176.117 -0.042 0.000 1.289 377 I CA 0.035 61.335 61.300 0.001 0.000 1.236 377 I CB 0.293 38.315 38.000 0.036 0.000 1.076 377 I HN 0.466 nan 8.210 nan 0.000 0.418 378 S N -0.892 114.768 115.700 -0.067 0.000 2.636 378 S HA 0.556 5.026 4.470 0.001 0.000 0.266 378 S C -1.565 173.060 174.600 0.043 0.000 1.147 378 S CA -0.755 57.386 58.200 -0.098 0.000 0.815 378 S CB 1.310 64.495 63.200 -0.026 0.000 1.119 378 S HN 0.120 nan 8.310 nan 0.000 0.470 379 Y N 0.669 120.971 120.300 0.003 0.000 2.409 379 Y HA 0.727 5.277 4.550 0.001 0.000 0.339 379 Y C 0.319 176.205 175.900 -0.024 0.000 1.033 379 Y CA -1.387 56.705 58.100 -0.013 0.000 1.094 379 Y CB 1.606 40.065 38.460 -0.002 0.000 1.210 379 Y HN 0.670 nan 8.280 nan 0.000 0.456 380 K N 2.995 123.477 120.400 0.137 0.000 2.318 380 K HA 0.741 5.061 4.320 0.001 0.000 0.249 380 K C -1.484 175.133 176.600 0.028 0.000 0.942 380 K CA -0.815 55.509 56.287 0.062 0.000 0.808 380 K CB 2.364 34.891 32.500 0.045 0.000 1.189 380 K HN 0.523 nan 8.250 nan 0.000 0.428 381 L N 3.335 124.566 121.223 0.014 0.000 2.471 381 L HA 0.326 4.666 4.340 0.001 0.000 0.263 381 L C -0.535 176.335 176.870 0.001 0.000 0.985 381 L CA -0.501 54.339 54.840 -0.000 0.000 0.868 381 L CB 1.077 43.130 42.059 -0.011 0.000 1.203 381 L HN 0.770 nan 8.230 nan 0.000 0.429 382 N N 2.678 121.380 118.700 0.005 0.000 2.862 382 N HA -0.171 4.570 4.740 0.001 0.000 0.246 382 N C 0.923 176.439 175.510 0.009 0.000 1.111 382 N CA 0.838 53.892 53.050 0.006 0.000 0.688 382 N CB -0.810 37.679 38.487 0.003 0.000 1.018 382 N HN 1.102 nan 8.380 nan 0.000 0.556 383 G N -0.659 108.149 108.800 0.014 0.000 2.220 383 G HA2 -0.399 3.562 3.960 0.001 0.000 0.269 383 G HA3 -0.399 3.562 3.960 0.001 0.000 0.269 383 G C 0.091 175.000 174.900 0.016 0.000 0.977 383 G CA 1.490 46.600 45.100 0.017 0.000 0.634 383 G HN 0.758 nan 8.290 nan 0.000 0.539 384 K N 0.324 120.731 120.400 0.011 0.000 2.206 384 K HA 0.765 5.086 4.320 0.001 0.000 0.264 384 K C 0.204 176.809 176.600 0.008 0.000 0.967 384 K CA -1.091 55.200 56.287 0.008 0.000 0.844 384 K CB 1.285 33.785 32.500 0.000 0.000 1.099 384 K HN 0.231 nan 8.250 nan 0.000 0.441 385 R N 2.790 123.295 120.500 0.008 0.000 2.449 385 R HA 0.153 4.493 4.340 0.001 0.000 0.296 385 R C 0.388 176.677 176.300 -0.018 0.000 1.047 385 R CA -0.311 55.795 56.100 0.009 0.000 1.018 385 R CB -0.132 30.173 30.300 0.009 0.000 0.962 385 R HN 0.829 nan 8.270 nan 0.000 0.428 386 I N 1.782 122.339 120.570 -0.021 0.000 2.575 386 I HA 0.191 4.362 4.170 0.001 0.000 0.285 386 I C -1.221 174.811 176.117 -0.143 0.000 1.085 386 I CA -1.888 59.351 61.300 -0.101 0.000 1.403 386 I CB 0.913 38.860 38.000 -0.089 0.000 1.409 386 I HN 0.500 nan 8.210 nan 0.000 0.557 387 P HA -0.087 nan 4.420 nan 0.000 0.218 387 P C -0.383 176.871 177.300 -0.078 0.000 1.149 387 P CA 1.565 64.545 63.100 -0.201 0.000 0.817 387 P CB -0.099 31.456 31.700 -0.241 0.000 0.785 388 Y N -4.827 115.524 120.300 0.085 0.000 2.725 388 Y HA 0.556 5.106 4.550 0.001 0.000 0.333 388 Y C -0.638 175.355 175.900 0.155 0.000 1.242 388 Y CA -2.105 56.072 58.100 0.128 0.000 1.059 388 Y CB -0.086 38.458 38.460 0.140 0.000 1.306 388 Y HN -0.315 nan 8.280 nan 0.000 0.454 389 F N 3.782 123.899 119.950 0.278 0.000 2.578 389 F HA 0.412 4.940 4.527 0.001 0.000 0.381 389 F C -2.234 173.669 175.800 0.172 0.000 1.069 389 F CA -2.154 55.906 58.000 0.100 0.000 1.231 389 F CB 0.554 39.385 39.000 -0.281 0.000 1.086 389 F HN 0.237 nan 8.300 nan 0.000 0.564 390 P HA 0.155 nan 4.420 nan 0.000 0.271 390 P C -0.382 176.865 177.300 -0.088 0.000 1.226 390 P CA 0.053 63.081 63.100 -0.119 0.000 0.765 390 P CB 1.168 32.743 31.700 -0.208 0.000 0.835 391 A N 3.401 126.265 122.820 0.074 0.000 2.067 391 A HA -0.071 4.250 4.320 0.001 0.000 0.217 391 A C 1.142 178.782 177.584 0.093 0.000 1.156 391 A CA 0.722 52.826 52.037 0.110 0.000 0.683 391 A CB -0.521 18.547 19.000 0.114 0.000 0.808 391 A HN 0.565 nan 8.150 nan 0.000 0.455 392 N N 0.698 119.434 118.700 0.060 0.000 2.437 392 N HA 0.042 4.782 4.740 0.001 0.000 0.243 392 N C 0.669 176.210 175.510 0.050 0.000 1.041 392 N CA -0.165 52.925 53.050 0.067 0.000 0.940 392 N CB 0.775 39.294 38.487 0.055 0.000 1.133 392 N HN 0.363 nan 8.380 nan 0.000 0.506 393 Q N 2.222 122.087 119.800 0.109 0.000 2.173 393 Q HA -0.188 4.152 4.340 0.001 0.000 0.208 393 Q C 0.393 176.444 176.000 0.085 0.000 0.989 393 Q CA 1.509 57.392 55.803 0.134 0.000 0.872 393 Q CB 0.383 29.275 28.738 0.255 0.000 0.909 393 Q HN 0.624 nan 8.270 nan 0.000 0.420 394 E N 0.168 120.416 120.200 0.079 0.000 2.204 394 E HA -0.148 4.203 4.350 0.001 0.000 0.195 394 E C 1.985 178.589 176.600 0.006 0.000 0.990 394 E CA 0.459 56.889 56.400 0.050 0.000 0.821 394 E CB -0.104 29.628 29.700 0.053 0.000 0.750 394 E HN 0.396 nan 8.360 nan 0.000 0.477 395 I N 0.838 121.399 120.570 -0.015 0.000 2.252 395 I HA -0.217 3.953 4.170 0.001 0.000 0.245 395 I C 2.458 178.517 176.117 -0.096 0.000 1.102 395 I CA 0.798 62.068 61.300 -0.050 0.000 1.385 395 I CB -1.082 36.882 38.000 -0.060 0.000 1.064 395 I HN 0.118 nan 8.210 nan 0.000 0.414 396 L N 0.102 121.251 121.223 -0.124 0.000 2.189 396 L HA -0.263 4.077 4.340 0.001 0.000 0.214 396 L C 2.437 179.230 176.870 -0.129 0.000 1.097 396 L CA 1.345 56.077 54.840 -0.181 0.000 0.764 396 L CB -0.582 41.416 42.059 -0.101 0.000 0.900 396 L HN 0.340 nan 8.230 nan 0.000 0.436 397 Q N -0.697 119.063 119.800 -0.066 0.000 2.311 397 Q HA -0.073 4.268 4.340 0.001 0.000 0.203 397 Q C 1.695 177.664 176.000 -0.053 0.000 0.954 397 Q CA 0.708 56.482 55.803 -0.048 0.000 0.885 397 Q CB 0.295 29.018 28.738 -0.025 0.000 0.963 397 Q HN 0.209 nan 8.270 nan 0.000 0.471 398 K N 0.042 120.407 120.400 -0.059 0.000 2.374 398 K HA 0.105 4.426 4.320 0.001 0.000 0.196 398 K C 0.397 176.961 176.600 -0.060 0.000 1.023 398 K CA 0.108 56.367 56.287 -0.047 0.000 1.103 398 K CB 0.429 32.910 32.500 -0.031 0.000 0.848 398 K HN 0.143 nan 8.250 nan 0.000 0.528 399 V N -0.467 119.383 119.914 -0.107 0.000 2.953 399 V HA 0.293 4.413 4.120 0.001 0.000 0.304 399 V C -0.012 176.026 176.094 -0.092 0.000 1.073 399 V CA -0.802 61.427 62.300 -0.119 0.000 1.064 399 V CB 1.435 33.111 31.823 -0.245 0.000 1.047 399 V HN 0.143 nan 8.190 nan 0.000 0.478 400 E N 2.305 122.481 120.200 -0.039 0.000 2.133 400 E HA 0.518 4.869 4.350 0.001 0.000 0.274 400 E C -1.229 175.377 176.600 0.009 0.000 0.930 400 E CA -0.796 55.602 56.400 -0.002 0.000 0.770 400 E CB 1.949 31.662 29.700 0.022 0.000 1.104 400 E HN 0.744 nan 8.360 nan 0.000 0.403 401 V N 4.705 124.609 119.914 -0.018 0.000 2.488 401 V HA 0.083 4.203 4.120 0.001 0.000 0.277 401 V C 0.327 176.283 176.094 -0.229 0.000 1.046 401 V CA -0.166 62.070 62.300 -0.107 0.000 0.986 401 V CB 1.127 32.778 31.823 -0.287 0.000 0.989 401 V HN 0.714 nan 8.190 nan 0.000 0.475 402 E N 4.454 124.563 120.200 -0.152 0.000 2.130 402 E HA 0.313 4.664 4.350 0.001 0.000 0.284 402 E C -1.463 175.029 176.600 -0.179 0.000 1.018 402 E CA -0.425 55.923 56.400 -0.087 0.000 0.817 402 E CB 0.605 30.305 29.700 -0.001 0.000 1.078 402 E HN 0.622 nan 8.360 nan 0.000 0.396 403 Y N 2.230 122.554 120.300 0.040 0.000 2.488 403 Y HA 0.348 4.899 4.550 0.001 0.000 0.325 403 Y C 0.262 176.135 175.900 -0.045 0.000 1.204 403 Y CA -0.765 57.324 58.100 -0.018 0.000 1.229 403 Y CB 1.549 39.958 38.460 -0.085 0.000 1.274 403 Y HN 0.531 nan 8.280 nan 0.000 0.493 404 E N -0.125 120.132 120.200 0.094 0.000 2.248 404 E HA 0.442 4.792 4.350 0.001 0.000 0.267 404 E C -1.570 174.949 176.600 -0.134 0.000 0.877 404 E CA -0.712 55.684 56.400 -0.007 0.000 0.759 404 E CB 1.422 31.126 29.700 0.008 0.000 1.182 404 E HN 0.607 nan 8.360 nan 0.000 0.418 405 T N 4.355 118.827 114.554 -0.137 0.000 2.749 405 T HA 0.415 4.765 4.350 0.001 0.000 0.287 405 T C -0.291 174.306 174.700 -0.172 0.000 0.970 405 T CA -0.486 61.492 62.100 -0.203 0.000 0.980 405 T CB 0.271 69.038 68.868 -0.167 0.000 0.924 405 T HN 0.297 nan 8.240 nan 0.000 0.456 406 L N 5.430 126.536 121.223 -0.196 0.000 2.331 406 L HA 0.529 4.870 4.340 0.001 0.000 0.275 406 L C -2.070 174.765 176.870 -0.058 0.000 1.022 406 L CA -2.678 52.097 54.840 -0.108 0.000 0.812 406 L CB 1.677 43.687 42.059 -0.082 0.000 1.257 406 L HN 0.340 nan 8.230 nan 0.000 0.435 407 P HA 0.097 nan 4.420 nan 0.000 0.276 407 P C -0.105 177.215 177.300 0.033 0.000 1.235 407 P CA -0.076 63.026 63.100 0.003 0.000 0.772 407 P CB 1.126 32.845 31.700 0.031 0.000 0.871 408 G N 2.043 110.803 108.800 -0.067 0.000 2.651 408 G HA2 0.173 4.133 3.960 0.001 0.000 0.260 408 G HA3 0.173 4.133 3.960 0.001 0.000 0.260 408 G C 0.121 175.017 174.900 -0.006 0.000 1.216 408 G CA -0.718 44.267 45.100 -0.192 0.000 0.913 408 G HN 0.706 nan 8.290 nan 0.000 0.535 409 W N -2.336 118.931 121.300 -0.055 0.000 3.058 409 W HA 0.421 5.081 4.660 0.001 0.000 0.306 409 W C 0.754 177.249 176.519 -0.041 0.000 1.188 409 W CA -0.750 56.568 57.345 -0.045 0.000 1.651 409 W CB 0.040 29.471 29.460 -0.049 0.000 1.051 409 W HN 0.441 nan 8.180 nan 0.000 0.592 410 K N 1.324 121.577 120.400 -0.245 0.000 3.540 410 K HA -0.034 4.286 4.320 0.001 0.000 0.274 410 K C -0.080 176.522 176.600 0.005 0.000 0.890 410 K CA 0.765 56.962 56.287 -0.150 0.000 0.701 410 K CB -1.717 30.729 32.500 -0.090 0.000 1.523 410 K HN 0.429 nan 8.250 nan 0.000 0.450 411 A N 0.598 123.488 122.820 0.115 0.000 2.606 411 A HA 0.410 4.730 4.320 0.001 0.000 0.293 411 A C -1.444 176.271 177.584 0.219 0.000 1.082 411 A CA -0.874 51.272 52.037 0.183 0.000 0.685 411 A CB 1.469 20.601 19.000 0.221 0.000 1.284 411 A HN 0.178 nan 8.150 nan 0.000 0.408 412 D N 1.583 122.059 120.400 0.127 0.000 2.352 412 D HA 0.309 4.949 4.640 0.001 0.000 0.245 412 D C 1.378 177.737 176.300 0.098 0.000 1.224 412 D CA 0.785 54.848 54.000 0.105 0.000 0.879 412 D CB 0.940 41.774 40.800 0.057 0.000 1.057 412 D HN 0.562 nan 8.370 nan 0.000 0.491 413 T N -0.442 114.189 114.554 0.128 0.000 3.081 413 T HA -0.039 4.312 4.350 0.001 0.000 0.250 413 T C 1.770 176.494 174.700 0.040 0.000 1.100 413 T CA 0.178 62.309 62.100 0.052 0.000 1.038 413 T CB -0.031 68.851 68.868 0.023 0.000 0.962 413 T HN 0.213 nan 8.240 nan 0.000 0.516 414 T N 1.874 116.461 114.554 0.056 0.000 2.714 414 T HA -0.081 4.270 4.350 0.001 0.000 0.268 414 T C 1.906 176.622 174.700 0.028 0.000 1.036 414 T CA 1.848 63.972 62.100 0.040 0.000 1.148 414 T CB -0.835 68.055 68.868 0.037 0.000 0.856 414 T HN 0.674 nan 8.240 nan 0.000 0.462 415 G N 0.109 108.923 108.800 0.022 0.000 3.042 415 G HA2 0.457 4.417 3.960 0.001 0.000 0.212 415 G HA3 0.457 4.417 3.960 0.001 0.000 0.212 415 G C 0.388 175.295 174.900 0.010 0.000 1.166 415 G CA 0.264 45.374 45.100 0.016 0.000 0.767 415 G HN 0.665 nan 8.290 nan 0.000 0.546 416 A N 0.494 123.317 122.820 0.004 0.000 2.488 416 A HA 0.574 4.894 4.320 0.001 0.000 0.249 416 A C 1.212 178.805 177.584 0.014 0.000 1.083 416 A CA -0.109 51.923 52.037 -0.007 0.000 0.768 416 A CB 0.464 19.442 19.000 -0.036 0.000 1.017 416 A HN 0.204 nan 8.150 nan 0.000 0.496 417 R N 0.809 121.321 120.500 0.020 0.000 2.521 417 R HA 0.202 4.542 4.340 0.001 0.000 0.289 417 R C -0.409 175.923 176.300 0.055 0.000 0.936 417 R CA 0.501 56.624 56.100 0.038 0.000 1.089 417 R CB 0.433 30.752 30.300 0.033 0.000 1.348 417 R HN 0.771 nan 8.270 nan 0.000 0.536 418 K N -0.700 119.731 120.400 0.052 0.000 2.508 418 K HA 0.156 4.477 4.320 0.001 0.000 0.260 418 K C 0.021 176.691 176.600 0.117 0.000 0.949 418 K CA -0.737 55.604 56.287 0.090 0.000 0.834 418 K CB 2.098 34.641 32.500 0.072 0.000 1.365 418 K HN -0.135 nan 8.250 nan 0.000 0.437 419 W N 2.220 123.506 121.300 -0.023 0.000 2.305 419 W HA -0.269 4.392 4.660 0.001 0.000 0.308 419 W C 0.533 177.032 176.519 -0.034 0.000 1.226 419 W CA 2.210 59.537 57.345 -0.031 0.000 1.253 419 W CB 0.319 29.764 29.460 -0.024 0.000 1.146 419 W HN 0.736 nan 8.180 nan 0.000 0.507 420 E N 0.352 120.520 120.200 -0.053 0.000 2.268 420 E HA -0.169 4.181 4.350 0.001 0.000 0.195 420 E C 1.409 177.894 176.600 -0.192 0.000 0.995 420 E CA 1.428 57.729 56.400 -0.164 0.000 0.836 420 E CB -0.635 29.052 29.700 -0.023 0.000 0.763 420 E HN 0.228 nan 8.360 nan 0.000 0.491 421 D N -0.145 120.167 120.400 -0.145 0.000 2.347 421 D HA -0.012 4.629 4.640 0.001 0.000 0.215 421 D C 0.238 176.423 176.300 -0.191 0.000 0.976 421 D CA 0.293 54.217 54.000 -0.126 0.000 0.884 421 D CB 0.166 40.927 40.800 -0.066 0.000 0.915 421 D HN 0.206 nan 8.370 nan 0.000 0.526 422 L N 2.880 123.911 121.223 -0.319 0.000 2.349 422 L HA 0.219 4.560 4.340 0.001 0.000 0.275 422 L C -1.950 174.679 176.870 -0.402 0.000 1.115 422 L CA -1.651 52.947 54.840 -0.404 0.000 0.820 422 L CB 0.770 42.493 42.059 -0.560 0.000 1.135 422 L HN -0.211 nan 8.230 nan 0.000 0.445 423 P HA 0.150 nan 4.420 nan 0.000 0.275 423 P C -2.331 174.826 177.300 -0.239 0.000 1.228 423 P CA -1.546 61.422 63.100 -0.220 0.000 0.786 423 P CB 0.515 32.160 31.700 -0.091 0.000 0.927 424 P HA -0.256 nan 4.420 nan 0.000 0.219 424 P C 1.454 178.732 177.300 -0.038 0.000 1.158 424 P CA 2.025 65.071 63.100 -0.089 0.000 0.895 424 P CB -0.095 31.590 31.700 -0.025 0.000 0.792 425 Q N -1.378 118.448 119.800 0.044 0.000 2.230 425 Q HA 0.016 4.357 4.340 0.001 0.000 0.202 425 Q C 2.179 178.240 176.000 0.101 0.000 0.963 425 Q CA 1.597 57.508 55.803 0.179 0.000 0.866 425 Q CB -1.222 27.724 28.738 0.348 0.000 0.931 425 Q HN 0.225 nan 8.270 nan 0.000 0.452 426 A N 0.487 123.086 122.820 -0.368 0.000 1.872 426 A HA -0.208 4.113 4.320 0.001 0.000 0.214 426 A C 2.017 179.355 177.584 -0.409 0.000 1.187 426 A CA 1.231 52.647 52.037 -1.034 0.000 0.614 426 A CB -0.406 17.716 19.000 -1.463 0.000 0.826 426 A HN 0.339 nan 8.150 nan 0.000 0.442 427 Q N -0.626 118.958 119.800 -0.361 0.000 2.096 427 Q HA -0.166 4.174 4.340 0.001 0.000 0.204 427 Q C 2.440 178.513 176.000 0.122 0.000 0.982 427 Q CA 1.768 57.419 55.803 -0.252 0.000 0.850 427 Q CB -0.264 28.190 28.738 -0.474 0.000 0.901 427 Q HN 0.667 nan 8.270 nan 0.000 0.422 428 S N -0.471 115.292 115.700 0.104 0.000 2.399 428 S HA -0.192 4.279 4.470 0.001 0.000 0.231 428 S C 1.741 176.508 174.600 0.279 0.000 1.022 428 S CA 0.868 59.188 58.200 0.200 0.000 0.983 428 S CB -0.240 63.068 63.200 0.179 0.000 0.803 428 S HN 0.477 nan 8.310 nan 0.000 0.480 429 Y N 1.905 122.288 120.300 0.139 0.000 2.163 429 Y HA -0.052 4.499 4.550 0.001 0.000 0.288 429 Y C 2.252 178.290 175.900 0.230 0.000 1.136 429 Y CA 1.583 59.801 58.100 0.196 0.000 1.147 429 Y CB -0.607 37.978 38.460 0.208 0.000 0.987 429 Y HN 0.125 nan 8.280 nan 0.000 0.509 430 V N 0.817 120.881 119.914 0.251 0.000 2.287 430 V HA -0.344 3.776 4.120 0.001 0.000 0.248 430 V C 2.389 178.575 176.094 0.155 0.000 1.053 430 V CA 2.347 64.772 62.300 0.208 0.000 1.027 430 V CB -0.640 31.387 31.823 0.339 0.000 0.646 430 V HN 0.343 nan 8.190 nan 0.000 0.447 431 R N -1.113 119.510 120.500 0.206 0.000 2.096 431 R HA -0.160 4.180 4.340 0.001 0.000 0.235 431 R C 2.248 178.620 176.300 0.121 0.000 1.127 431 R CA 1.806 57.988 56.100 0.137 0.000 0.968 431 R CB -0.530 29.868 30.300 0.164 0.000 0.861 431 R HN 0.509 nan 8.270 nan 0.000 0.440 432 F N 1.054 121.028 119.950 0.039 0.000 2.171 432 F HA -0.212 4.316 4.527 0.001 0.000 0.300 432 F C 2.072 177.918 175.800 0.076 0.000 1.090 432 F CA 1.189 59.239 58.000 0.083 0.000 1.293 432 F CB 0.049 39.024 39.000 -0.041 0.000 1.013 432 F HN -0.263 nan 8.300 nan 0.000 0.486 433 V N -0.048 119.935 119.914 0.115 0.000 2.283 433 V HA -0.255 3.865 4.120 0.001 0.000 0.243 433 V C 2.186 178.278 176.094 -0.003 0.000 1.039 433 V CA 2.127 64.450 62.300 0.040 0.000 1.016 433 V CB -0.744 31.072 31.823 -0.011 0.000 0.650 433 V HN 0.274 nan 8.190 nan 0.000 0.449 434 E N 0.595 120.782 120.200 -0.021 0.000 2.012 434 E HA -0.249 4.102 4.350 0.001 0.000 0.197 434 E C 2.200 178.734 176.600 -0.109 0.000 1.007 434 E CA 1.660 58.020 56.400 -0.065 0.000 0.816 434 E CB -0.295 29.361 29.700 -0.073 0.000 0.762 434 E HN 0.557 nan 8.360 nan 0.000 0.451 435 N N 0.481 119.094 118.700 -0.145 0.000 2.060 435 N HA -0.187 4.554 4.740 0.001 0.000 0.195 435 N C 1.637 176.927 175.510 -0.366 0.000 1.028 435 N CA 1.303 54.190 53.050 -0.271 0.000 0.861 435 N CB -0.614 37.656 38.487 -0.360 0.000 1.029 435 N HN 0.377 nan 8.380 nan 0.000 0.428 436 H N -0.675 118.224 119.070 -0.284 0.000 2.529 436 H HA 0.177 4.734 4.556 0.001 0.000 0.277 436 H C 1.638 176.888 175.328 -0.131 0.000 0.999 436 H CA 0.488 56.390 56.048 -0.243 0.000 1.256 436 H CB 0.273 29.829 29.762 -0.342 0.000 1.402 436 H HN 0.256 nan 8.280 nan 0.000 0.566 437 M N -1.050 118.530 119.600 -0.033 0.000 2.534 437 M HA 0.113 4.594 4.480 0.001 0.000 0.263 437 M C 1.347 177.590 176.300 -0.095 0.000 1.152 437 M CA 0.771 56.042 55.300 -0.047 0.000 1.145 437 M CB 0.937 33.492 32.600 -0.074 0.000 1.333 437 M HN 0.396 nan 8.290 nan 0.000 0.477 438 G N 1.056 109.788 108.800 -0.113 0.000 2.141 438 G HA2 -0.181 3.780 3.960 0.001 0.000 0.242 438 G HA3 -0.181 3.780 3.960 0.001 0.000 0.242 438 G C -0.171 174.657 174.900 -0.120 0.000 0.982 438 G CA 0.033 45.073 45.100 -0.099 0.000 0.662 438 G HN 0.342 nan 8.290 nan 0.000 0.527 439 V N 0.144 119.960 119.914 -0.164 0.000 2.604 439 V HA 0.865 4.986 4.120 0.001 0.000 0.305 439 V C 0.661 176.705 176.094 -0.083 0.000 1.043 439 V CA -0.661 61.556 62.300 -0.139 0.000 0.888 439 V CB 1.717 33.407 31.823 -0.222 0.000 0.995 439 V HN 1.207 nan 8.190 nan 0.000 0.429 440 A N 3.408 126.202 122.820 -0.042 0.000 2.388 440 A HA 0.627 4.947 4.320 0.001 0.000 0.257 440 A C -0.146 177.475 177.584 0.062 0.000 1.095 440 A CA -0.254 51.767 52.037 -0.027 0.000 0.791 440 A CB 0.576 19.510 19.000 -0.111 0.000 1.029 440 A HN 0.748 nan 8.150 nan 0.000 0.489 441 V N 2.972 122.907 119.914 0.035 0.000 2.461 441 V HA 0.157 4.277 4.120 0.001 0.000 0.275 441 V C 1.247 177.341 176.094 -0.000 0.000 1.047 441 V CA 0.249 62.553 62.300 0.006 0.000 0.955 441 V CB 1.103 32.922 31.823 -0.007 0.000 0.988 441 V HN 1.124 nan 8.190 nan 0.000 0.471 442 K N 3.824 124.053 120.400 -0.285 0.000 2.365 442 K HA 0.151 4.471 4.320 0.001 0.000 0.195 442 K C -0.189 175.819 176.600 -0.986 0.000 1.079 442 K CA 0.166 55.861 56.287 -0.987 0.000 0.979 442 K CB 0.627 32.177 32.500 -1.583 0.000 0.929 442 K HN 0.597 nan 8.250 nan 0.000 0.523 443 W N 1.008 122.146 121.300 -0.271 0.000 3.022 443 W HA 0.402 5.062 4.660 0.000 0.000 0.335 443 W C -1.286 175.179 176.519 -0.090 0.000 1.133 443 W CA -0.887 56.346 57.345 -0.187 0.000 1.219 443 W CB 1.749 31.077 29.460 -0.220 0.000 1.409 443 W HN -0.437 nan 8.180 nan 0.000 0.507 444 V N 2.039 122.070 119.914 0.195 0.000 2.444 444 V HA 0.572 4.692 4.120 0.001 0.000 0.294 444 V C 0.426 176.594 176.094 0.122 0.000 1.022 444 V CA -0.661 61.728 62.300 0.147 0.000 0.850 444 V CB 1.474 33.389 31.823 0.152 0.000 0.992 444 V HN 0.613 nan 8.190 nan 0.000 0.426 445 G N 2.552 111.407 108.800 0.092 0.000 2.325 445 G HA2 0.498 4.459 3.960 0.001 0.000 0.298 445 G HA3 0.498 4.459 3.960 0.001 0.000 0.298 445 G C 0.304 175.242 174.900 0.064 0.000 1.134 445 G CA -0.035 45.100 45.100 0.058 0.000 0.876 445 G HN 1.072 nan 8.290 nan 0.000 0.452 446 V N 0.225 120.169 119.914 0.051 0.000 3.166 446 V HA 0.752 4.872 4.120 0.001 0.000 0.332 446 V C 0.577 176.693 176.094 0.037 0.000 1.434 446 V CA 0.190 62.522 62.300 0.054 0.000 1.121 446 V CB -0.050 31.800 31.823 0.045 0.000 1.062 446 V HN 1.204 nan 8.190 nan 0.000 0.489 447 G N -0.226 108.586 108.800 0.021 0.000 2.489 447 G HA2 0.319 4.280 3.960 0.001 0.000 0.291 447 G HA3 0.319 4.280 3.960 0.001 0.000 0.291 447 G C -0.269 174.627 174.900 -0.007 0.000 1.487 447 G CA -0.271 44.832 45.100 0.005 0.000 0.795 447 G HN -0.078 nan 8.290 nan 0.000 0.513 448 K N -0.176 120.215 120.400 -0.014 0.000 2.057 448 K HA -0.009 4.311 4.320 0.001 0.000 0.206 448 K C 1.951 178.548 176.600 -0.005 0.000 1.050 448 K CA 1.445 57.722 56.287 -0.016 0.000 0.935 448 K CB -0.306 32.186 32.500 -0.013 0.000 0.715 448 K HN 0.639 nan 8.250 nan 0.000 0.439 449 S N 0.932 116.635 115.700 0.004 0.000 2.589 449 S HA 0.059 4.530 4.470 0.001 0.000 0.265 449 S C 1.134 175.737 174.600 0.005 0.000 1.342 449 S CA -0.536 57.672 58.200 0.012 0.000 1.005 449 S CB 1.676 64.886 63.200 0.018 0.000 0.909 449 S HN 0.255 nan 8.310 nan 0.000 0.555 450 R N 1.124 121.630 120.500 0.011 0.000 2.105 450 R HA -0.146 4.195 4.340 0.001 0.000 0.239 450 R C 1.844 178.141 176.300 -0.005 0.000 1.135 450 R CA 1.921 58.018 56.100 -0.005 0.000 0.967 450 R CB -0.390 29.915 30.300 0.009 0.000 0.861 450 R HN 0.905 nan 8.270 nan 0.000 0.442 451 E N -0.006 120.201 120.200 0.011 0.000 2.358 451 E HA -0.025 4.325 4.350 0.001 0.000 0.195 451 E C 0.323 176.935 176.600 0.021 0.000 1.010 451 E CA 0.377 56.787 56.400 0.017 0.000 0.856 451 E CB 0.041 29.755 29.700 0.022 0.000 0.795 451 E HN 0.062 nan 8.360 nan 0.000 0.504 452 S N 1.472 117.182 115.700 0.015 0.000 4.085 452 S HA 0.222 4.693 4.470 0.001 0.000 0.189 452 S C 0.120 174.735 174.600 0.025 0.000 1.392 452 S CA 0.125 58.337 58.200 0.020 0.000 0.972 452 S CB -0.418 62.791 63.200 0.015 0.000 1.482 452 S HN 0.178 nan 8.310 nan 0.000 0.446 453 M N 1.782 121.406 119.600 0.039 0.000 2.520 453 M HA 0.535 5.015 4.480 0.001 0.000 0.283 453 M C -1.401 174.963 176.300 0.107 0.000 1.237 453 M CA -0.397 54.944 55.300 0.069 0.000 0.885 453 M CB 2.286 34.913 32.600 0.044 0.000 1.727 453 M HN 0.155 nan 8.290 nan 0.000 0.468 454 I N 1.445 122.105 120.570 0.149 0.000 2.436 454 I HA 0.370 4.540 4.170 0.001 0.000 0.289 454 I C -0.370 175.834 176.117 0.146 0.000 1.010 454 I CA -0.604 60.779 61.300 0.139 0.000 1.098 454 I CB 2.160 40.240 38.000 0.134 0.000 1.266 454 I HN 0.584 nan 8.210 nan 0.000 0.434 455 Q N 5.705 125.545 119.800 0.067 0.000 2.290 455 Q HA 0.433 4.774 4.340 0.001 0.000 0.259 455 Q C -0.018 175.853 176.000 -0.215 0.000 0.941 455 Q CA -0.528 55.157 55.803 -0.198 0.000 0.912 455 Q CB 1.625 30.263 28.738 -0.166 0.000 1.244 455 Q HN 0.765 nan 8.270 nan 0.000 0.441 456 L N 4.563 125.581 121.223 -0.341 0.000 2.446 456 L HA 0.221 4.562 4.340 0.001 0.000 0.219 456 L C 0.078 176.911 176.870 -0.062 0.000 1.116 456 L CA 0.283 55.010 54.840 -0.187 0.000 0.844 456 L CB -0.176 41.767 42.059 -0.194 0.000 0.970 456 L HN 0.600 nan 8.230 nan 0.000 0.457 457 F N 0.000 119.734 119.950 -0.360 0.000 2.286 457 F HA 0.000 4.527 4.527 0.001 0.000 0.279 457 F CA 0.000 57.828 58.000 -0.286 0.000 1.383 457 F CB 0.000 38.840 39.000 -0.266 0.000 1.145 457 F HN 0.000 nan 8.300 nan 0.000 0.574