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 2f9q_1_C DATA FIRST_RESID 34 DATA SEQUENCE PPGPLPLPXX XXXXXXXXQN TPYCFDQLRR RFGDVFSLQL AWTPVVVLNG DATA SEQUENCE LAAVREALVT HGEDTADRPP VPITQILGFG PRSQGVFLAR YGPAWREQRR DATA SEQUENCE FSVSTLRNLG LGKKSLEQWV TEEAACLCAA FANHSGRPFR PNGLLDKAVS DATA SEQUENCE NVIASLTCGR RFEYDDPRFL RLLDLAQEGL KEESGFLREV LNAVPVDRHI DATA SEQUENCE PALAGKVLRF QKAFLTQLDE LLTEHRMTWD PAQPPRDLTE AFLAEMEKAK DATA SEQUENCE GNPESSFNDE NLRIVVADLF SAGMVTTSTT LAWGLLLMIL HPDVQRRVQQ DATA SEQUENCE EIDDVIGQVR RPEMGDQAHM PYTTAVIHEV QRFGDIVPLG MTHMTSRDIE DATA SEQUENCE VQGFRIPKGT TLITNLSSVL KDEAVWEKPF RFHPEHFLDA QGHFVKPEAF DATA SEQUENCE LPFSAGRRAC LGEPLARMEL FLFFTSLLQH FSFSVPTGQP RPSHHGVFAF DATA SEQUENCE LVSPSPYELC AVPR 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 34 P HA 0.000 nan 4.420 nan 0.000 0.216 34 P C 0.000 176.991 177.300 -0.515 0.000 1.155 34 P CA 0.000 62.799 63.100 -0.502 0.000 0.800 34 P CB 0.000 31.581 31.700 -0.198 0.000 0.726 35 P HA 0.078 nan 4.420 nan 0.000 0.283 35 P C 0.711 177.775 177.300 -0.392 0.000 1.799 35 P CA 1.922 64.847 63.100 -0.292 0.000 1.596 35 P CB -0.144 31.463 31.700 -0.156 0.000 0.399 36 G N -3.009 105.248 108.800 -0.905 0.000 2.692 36 G HA2 0.036 3.995 3.960 -0.000 0.000 0.686 36 G HA3 0.036 3.995 3.960 -0.000 0.000 0.686 36 G C -3.052 171.347 174.900 -0.836 0.000 1.243 36 G CA -0.481 43.881 45.100 -1.229 0.000 0.782 36 G HN 0.528 nan 8.290 nan 0.000 0.625 37 P HA 0.649 nan 4.420 nan 0.000 0.279 37 P C -0.241 177.070 177.300 0.020 0.000 1.252 37 P CA -0.448 62.657 63.100 0.009 0.000 0.811 37 P CB 1.204 32.979 31.700 0.125 0.000 1.035 38 L N 2.483 123.751 121.223 0.076 0.000 2.333 38 L HA 0.579 4.918 4.340 -0.000 0.000 0.269 38 L C -1.293 175.618 176.870 0.069 0.000 1.010 38 L CA -1.502 53.373 54.840 0.058 0.000 0.818 38 L CB 1.344 43.429 42.059 0.043 0.000 1.306 38 L HN 0.429 nan 8.230 nan 0.000 0.430 39 P HA 0.593 nan 4.420 nan 0.000 0.347 39 P C -0.582 176.756 177.300 0.063 0.000 1.277 39 P CA -0.359 62.789 63.100 0.081 0.000 0.796 39 P CB 1.763 33.538 31.700 0.124 0.000 1.787 40 L N -3.835 117.431 121.223 0.072 0.000 1.016 40 L HA 0.113 4.453 4.340 -0.000 0.000 0.502 40 L C -2.039 174.866 176.870 0.059 0.000 0.792 40 L CA -0.055 54.820 54.840 0.058 0.000 1.968 40 L CB -2.940 39.143 42.059 0.040 0.000 1.286 40 L HN 0.319 nan 8.230 nan 0.000 0.414 53 N N 1.746 120.546 118.700 0.167 0.000 2.767 53 N HA 0.212 4.952 4.740 -0.000 0.000 0.238 53 N C 0.085 175.631 175.510 0.060 0.000 1.083 53 N CA 0.709 53.903 53.050 0.239 0.000 0.964 53 N CB 1.370 39.950 38.487 0.154 0.000 1.252 53 N HN 0.473 nan 8.380 nan 0.000 0.512 54 T N -0.354 114.228 114.554 0.046 0.000 3.022 54 T HA 0.301 4.651 4.350 -0.000 0.000 0.250 54 T C -1.433 172.894 174.700 -0.622 0.000 1.060 54 T CA -0.149 61.769 62.100 -0.304 0.000 1.013 54 T CB 0.036 68.722 68.868 -0.302 0.000 0.982 54 T HN 0.280 nan 8.240 nan 0.000 0.508 55 P HA 0.153 nan 4.420 nan 0.000 0.215 55 P C 0.888 178.020 177.300 -0.281 0.000 1.144 55 P CA 0.542 63.363 63.100 -0.466 0.000 0.874 55 P CB -0.254 31.057 31.700 -0.649 0.000 0.796 56 Y N -0.178 119.975 120.300 -0.245 0.000 2.384 56 Y HA -0.198 4.352 4.550 -0.001 0.000 0.289 56 Y C 2.875 178.725 175.900 -0.084 0.000 1.152 56 Y CA 0.947 58.968 58.100 -0.132 0.000 1.258 56 Y CB -1.448 36.920 38.460 -0.154 0.000 0.979 56 Y HN 0.118 nan 8.280 nan 0.000 0.549 57 C N -0.340 118.959 119.300 -0.000 0.000 2.508 57 C HA -0.197 4.263 4.460 -0.000 0.000 0.280 57 C C 2.622 177.687 174.990 0.125 0.000 1.262 57 C CA 0.799 59.820 59.018 0.004 0.000 1.706 57 C CB -1.436 26.249 27.740 -0.091 0.000 2.078 57 C HN 0.576 nan 8.230 nan 0.000 0.480 58 F N 0.689 120.691 119.950 0.087 0.000 2.250 58 F HA -0.147 4.380 4.527 -0.000 0.000 0.301 58 F C 2.263 178.143 175.800 0.134 0.000 1.077 58 F CA 1.224 59.329 58.000 0.176 0.000 1.348 58 F CB -0.340 38.792 39.000 0.220 0.000 1.040 58 F HN 0.349 nan 8.300 nan 0.000 0.509 59 D N 0.067 120.617 120.400 0.251 0.000 2.144 59 D HA -0.153 4.486 4.640 -0.000 0.000 0.199 59 D C 2.153 178.527 176.300 0.124 0.000 0.984 59 D CA 1.078 55.178 54.000 0.166 0.000 0.834 59 D CB -0.022 40.843 40.800 0.109 0.000 0.955 59 D HN 0.151 nan 8.370 nan 0.000 0.465 60 Q N -0.095 119.764 119.800 0.098 0.000 2.020 60 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 60 Q C 2.636 178.635 176.000 -0.001 0.000 0.982 60 Q CA 0.737 56.566 55.803 0.043 0.000 0.838 60 Q CB -0.680 28.079 28.738 0.035 0.000 0.899 60 Q HN 0.355 nan 8.270 nan 0.000 0.423 61 L N 0.632 121.826 121.223 -0.050 0.000 2.079 61 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 61 L C 2.687 179.407 176.870 -0.251 0.000 1.081 61 L CA 1.356 56.043 54.840 -0.256 0.000 0.752 61 L CB -0.519 41.079 42.059 -0.769 0.000 0.896 61 L HN 0.181 nan 8.230 nan 0.000 0.433 62 R N 0.862 121.340 120.500 -0.036 0.000 2.097 62 R HA -0.209 4.130 4.340 -0.000 0.000 0.236 62 R C 2.269 178.631 176.300 0.103 0.000 1.135 62 R CA 1.998 58.207 56.100 0.183 0.000 0.934 62 R CB -0.291 30.154 30.300 0.241 0.000 0.846 62 R HN 0.342 nan 8.270 nan 0.000 0.431 63 R N 0.483 121.017 120.500 0.056 0.000 2.325 63 R HA -0.026 4.313 4.340 -0.000 0.000 0.214 63 R C 1.476 177.755 176.300 -0.036 0.000 0.961 63 R CA 0.870 56.985 56.100 0.025 0.000 1.086 63 R CB 0.009 30.327 30.300 0.031 0.000 1.037 63 R HN 0.258 nan 8.270 nan 0.000 0.493 64 R N -1.154 119.298 120.500 -0.081 0.000 2.369 64 R HA 0.162 4.502 4.340 -0.000 0.000 0.210 64 R C 0.184 176.240 176.300 -0.406 0.000 0.881 64 R CA 0.073 56.023 56.100 -0.250 0.000 1.031 64 R CB 0.323 30.441 30.300 -0.304 0.000 1.184 64 R HN 0.224 nan 8.270 nan 0.000 0.581 65 F N 0.398 120.296 119.950 -0.087 0.000 2.798 65 F HA 0.461 4.988 4.527 -0.000 0.000 0.328 65 F C 0.744 176.569 175.800 0.041 0.000 1.098 65 F CA 0.384 58.352 58.000 -0.052 0.000 1.172 65 F CB 1.888 40.806 39.000 -0.137 0.000 1.072 65 F HN 0.312 nan 8.300 nan 0.000 0.555 66 G N 0.731 109.660 108.800 0.215 0.000 2.685 66 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.387 66 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.387 66 G C -0.066 174.993 174.900 0.265 0.000 1.324 66 G CA -0.182 45.044 45.100 0.210 0.000 0.878 66 G HN 0.049 nan 8.290 nan 0.000 0.527 67 D N -0.789 119.731 120.400 0.201 0.000 2.103 67 D HA 0.017 4.657 4.640 -0.000 0.000 0.199 67 D C 1.683 178.038 176.300 0.092 0.000 0.978 67 D CA 1.867 55.958 54.000 0.152 0.000 0.829 67 D CB -0.212 40.644 40.800 0.094 0.000 0.981 67 D HN 0.521 nan 8.370 nan 0.000 0.464 68 V N 2.222 122.193 119.914 0.094 0.000 2.406 68 V HA 0.368 4.488 4.120 -0.000 0.000 0.272 68 V C -0.076 175.975 176.094 -0.072 0.000 1.043 68 V CA -0.530 61.740 62.300 -0.051 0.000 0.915 68 V CB -0.055 31.807 31.823 0.064 0.000 0.988 68 V HN 0.048 nan 8.190 nan 0.000 0.466 69 F N 1.622 121.432 119.950 -0.233 0.000 2.685 69 F HA 0.846 5.373 4.527 -0.001 0.000 0.315 69 F C -0.389 175.204 175.800 -0.345 0.000 1.126 69 F CA -0.933 56.863 58.000 -0.340 0.000 0.950 69 F CB 1.793 40.597 39.000 -0.325 0.000 1.360 69 F HN 0.209 nan 8.300 nan 0.000 0.469 70 S N 1.776 117.437 115.700 -0.065 0.000 2.451 70 S HA 0.715 5.185 4.470 -0.000 0.000 0.301 70 S C -1.080 173.511 174.600 -0.015 0.000 1.116 70 S CA -0.487 57.647 58.200 -0.110 0.000 1.093 70 S CB 1.266 64.371 63.200 -0.158 0.000 1.017 70 S HN 0.479 nan 8.310 nan 0.000 0.482 71 L N 3.075 124.299 121.223 0.001 0.000 2.334 71 L HA 0.488 4.827 4.340 -0.000 0.000 0.275 71 L C 0.712 177.615 176.870 0.055 0.000 1.036 71 L CA 0.397 55.270 54.840 0.056 0.000 0.807 71 L CB 0.790 42.910 42.059 0.101 0.000 1.231 71 L HN 0.824 nan 8.230 nan 0.000 0.438 72 Q N 1.183 121.042 119.800 0.098 0.000 2.475 72 Q HA -0.241 4.098 4.340 -0.000 0.000 0.280 72 Q C 1.213 177.308 176.000 0.158 0.000 1.234 72 Q CA 0.452 56.364 55.803 0.183 0.000 0.873 72 Q CB -1.127 27.718 28.738 0.179 0.000 1.256 72 Q HN 0.636 nan 8.270 nan 0.000 0.475 73 L N -0.952 120.309 121.223 0.065 0.000 2.030 73 L HA -0.355 3.984 4.340 -0.000 0.000 0.222 73 L C 2.180 179.050 176.870 0.001 0.000 1.082 73 L CA 2.201 57.045 54.840 0.008 0.000 0.785 73 L CB -0.566 41.472 42.059 -0.036 0.000 0.895 73 L HN 0.635 nan 8.230 nan 0.000 0.439 74 A N -1.696 121.112 122.820 -0.020 0.000 2.015 74 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 74 A C 1.422 178.806 177.584 -0.333 0.000 1.163 74 A CA 1.042 52.953 52.037 -0.210 0.000 0.646 74 A CB -0.445 18.357 19.000 -0.330 0.000 0.806 74 A HN 0.503 nan 8.150 nan 0.000 0.448 75 W N 0.202 121.498 121.300 -0.007 0.000 2.969 75 W HA 0.254 4.914 4.660 -0.000 0.000 0.298 75 W C 0.832 177.347 176.519 -0.007 0.000 1.469 75 W CA 1.230 58.573 57.345 -0.004 0.000 1.580 75 W CB -0.959 28.502 29.460 0.001 0.000 1.468 75 W HN 0.084 nan 8.180 nan 0.000 0.487 76 T N -0.033 114.686 114.554 0.275 0.000 2.770 76 T HA 0.420 4.770 4.350 -0.000 0.000 0.283 76 T C -2.520 172.239 174.700 0.099 0.000 0.988 76 T CA -2.421 59.757 62.100 0.130 0.000 0.957 76 T CB 1.429 70.353 68.868 0.093 0.000 0.930 76 T HN -0.177 nan 8.240 nan 0.000 0.443 77 P HA 0.223 nan 4.420 nan 0.000 0.267 77 P C -0.709 176.590 177.300 -0.000 0.000 1.205 77 P CA -0.323 62.786 63.100 0.016 0.000 0.765 77 P CB 0.735 32.423 31.700 -0.020 0.000 0.828 78 V N 4.838 124.747 119.914 -0.010 0.000 2.448 78 V HA 0.228 4.348 4.120 -0.000 0.000 0.295 78 V C 0.345 176.375 176.094 -0.106 0.000 1.025 78 V CA -0.706 61.574 62.300 -0.034 0.000 0.859 78 V CB 2.144 33.970 31.823 0.004 0.000 0.988 78 V HN 0.266 nan 8.190 nan 0.000 0.431 79 V N 5.758 125.581 119.914 -0.152 0.000 2.483 79 V HA 0.478 4.598 4.120 -0.000 0.000 0.295 79 V C -0.187 175.681 176.094 -0.376 0.000 1.035 79 V CA -0.580 61.564 62.300 -0.259 0.000 0.896 79 V CB 2.041 33.740 31.823 -0.206 0.000 0.986 79 V HN 0.604 nan 8.190 nan 0.000 0.447 80 V N 6.371 125.884 119.914 -0.668 0.000 2.347 80 V HA 0.439 4.559 4.120 -0.000 0.000 0.280 80 V C -0.143 175.512 176.094 -0.732 0.000 1.021 80 V CA -0.503 61.281 62.300 -0.859 0.000 0.847 80 V CB 1.307 32.195 31.823 -1.558 0.000 0.990 80 V HN 0.618 nan 8.190 nan 0.000 0.444 81 L N 4.860 125.820 121.223 -0.438 0.000 2.292 81 L HA 0.520 4.860 4.340 -0.000 0.000 0.284 81 L C 1.039 177.770 176.870 -0.230 0.000 1.065 81 L CA -0.024 54.645 54.840 -0.285 0.000 0.806 81 L CB 0.762 42.703 42.059 -0.197 0.000 1.175 81 L HN 0.623 nan 8.230 nan 0.000 0.431 82 N N 1.620 120.232 118.700 -0.147 0.000 2.594 82 N HA 0.065 4.805 4.740 -0.000 0.000 0.237 82 N C 0.840 176.340 175.510 -0.017 0.000 1.057 82 N CA 0.235 53.245 53.050 -0.066 0.000 0.883 82 N CB 0.461 38.946 38.487 -0.004 0.000 1.538 82 N HN 0.709 nan 8.380 nan 0.000 0.451 83 G N 1.853 110.651 108.800 -0.003 0.000 2.771 83 G HA2 0.055 4.015 3.960 -0.000 0.000 0.242 83 G HA3 0.055 4.015 3.960 -0.000 0.000 0.242 83 G C 1.161 176.057 174.900 -0.007 0.000 1.233 83 G CA -0.264 44.838 45.100 0.003 0.000 0.858 83 G HN 0.154 nan 8.290 nan 0.000 0.591 84 L N 1.576 122.797 121.223 -0.003 0.000 2.046 84 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 84 L C 2.951 179.814 176.870 -0.011 0.000 1.077 84 L CA 2.881 57.718 54.840 -0.005 0.000 0.747 84 L CB -0.887 41.165 42.059 -0.011 0.000 0.896 84 L HN 0.618 nan 8.230 nan 0.000 0.432 85 A N -0.157 122.657 122.820 -0.011 0.000 1.892 85 A HA -0.194 4.125 4.320 -0.000 0.000 0.218 85 A C 2.475 180.057 177.584 -0.003 0.000 1.188 85 A CA 2.374 54.406 52.037 -0.007 0.000 0.631 85 A CB -1.359 17.639 19.000 -0.004 0.000 0.822 85 A HN 0.645 nan 8.150 nan 0.000 0.447 86 A N -0.938 121.878 122.820 -0.005 0.000 1.930 86 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 86 A C 2.226 179.791 177.584 -0.032 0.000 1.175 86 A CA 1.668 53.698 52.037 -0.011 0.000 0.627 86 A CB -0.764 18.225 19.000 -0.019 0.000 0.815 86 A HN 0.392 nan 8.150 nan 0.000 0.443 87 V N -0.246 119.642 119.914 -0.042 0.000 2.323 87 V HA -0.197 3.923 4.120 -0.000 0.000 0.244 87 V C 2.612 178.683 176.094 -0.040 0.000 1.041 87 V CA 2.006 64.270 62.300 -0.060 0.000 1.025 87 V CB -0.760 31.028 31.823 -0.060 0.000 0.656 87 V HN 0.517 nan 8.190 nan 0.000 0.451 88 R N -0.201 120.289 120.500 -0.017 0.000 2.083 88 R HA -0.223 4.117 4.340 -0.000 0.000 0.237 88 R C 2.433 178.736 176.300 0.005 0.000 1.137 88 R CA 2.039 58.136 56.100 -0.004 0.000 0.951 88 R CB -0.280 30.019 30.300 -0.001 0.000 0.851 88 R HN 0.632 nan 8.270 nan 0.000 0.434 89 E N -0.432 119.777 120.200 0.016 0.000 2.118 89 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 89 E C 1.646 178.322 176.600 0.128 0.000 0.992 89 E CA 1.298 57.733 56.400 0.059 0.000 0.804 89 E CB 0.025 29.764 29.700 0.065 0.000 0.741 89 E HN 0.407 nan 8.360 nan 0.000 0.458 90 A N 0.181 123.034 122.820 0.056 0.000 1.903 90 A HA 0.015 4.335 4.320 -0.000 0.000 0.213 90 A C 2.019 179.615 177.584 0.020 0.000 1.185 90 A CA 0.617 52.676 52.037 0.036 0.000 0.628 90 A CB -0.145 18.821 19.000 -0.058 0.000 0.830 90 A HN 0.249 nan 8.150 nan 0.000 0.446 91 L N -0.952 120.259 121.223 -0.020 0.000 2.357 91 L HA 0.026 4.366 4.340 -0.000 0.000 0.211 91 L C 2.103 178.984 176.870 0.019 0.000 1.075 91 L CA 0.332 55.155 54.840 -0.029 0.000 0.830 91 L CB -0.044 41.966 42.059 -0.081 0.000 0.996 91 L HN 0.227 nan 8.230 nan 0.000 0.467 92 V N -1.293 118.630 119.914 0.016 0.000 2.398 92 V HA -0.100 4.020 4.120 -0.000 0.000 0.236 92 V C 2.412 178.498 176.094 -0.012 0.000 1.054 92 V CA 1.692 64.001 62.300 0.015 0.000 1.060 92 V CB -0.705 31.125 31.823 0.011 0.000 0.707 92 V HN 0.255 nan 8.190 nan 0.000 0.480 93 T N 0.245 114.772 114.554 -0.046 0.000 2.597 93 T HA -0.234 4.115 4.350 -0.000 0.000 0.267 93 T C 1.415 175.955 174.700 -0.266 0.000 1.053 93 T CA 2.028 64.027 62.100 -0.168 0.000 1.165 93 T CB -0.427 68.308 68.868 -0.222 0.000 0.863 93 T HN 0.538 nan 8.240 nan 0.000 0.427 94 H N -0.038 119.022 119.070 -0.016 0.000 2.507 94 H HA 0.358 4.914 4.556 -0.000 0.000 0.294 94 H C 2.168 177.476 175.328 -0.033 0.000 1.064 94 H CA 0.114 56.149 56.048 -0.022 0.000 1.138 94 H CB -0.256 29.487 29.762 -0.032 0.000 1.515 94 H HN 0.430 nan 8.280 nan 0.000 0.547 95 G N 1.470 110.303 108.800 0.054 0.000 2.545 95 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.222 95 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.222 95 G C 1.486 176.391 174.900 0.007 0.000 1.126 95 G CA 1.111 46.234 45.100 0.039 0.000 0.754 95 G HN 0.465 nan 8.290 nan 0.000 0.583 96 E N 0.407 120.626 120.200 0.030 0.000 2.037 96 E HA -0.213 4.137 4.350 -0.000 0.000 0.214 96 E C 1.488 177.965 176.600 -0.206 0.000 1.041 96 E CA 1.647 58.060 56.400 0.022 0.000 0.872 96 E CB -0.165 29.584 29.700 0.080 0.000 0.785 96 E HN 0.338 nan 8.360 nan 0.000 0.476 97 D N -0.841 119.493 120.400 -0.110 0.000 2.352 97 D HA -0.044 4.595 4.640 -0.000 0.000 0.232 97 D C 0.905 177.080 176.300 -0.209 0.000 1.055 97 D CA 1.108 55.010 54.000 -0.164 0.000 0.891 97 D CB 0.353 41.136 40.800 -0.028 0.000 0.897 97 D HN 0.295 nan 8.370 nan 0.000 0.529 98 T N -3.582 110.850 114.554 -0.203 0.000 3.231 98 T HA 0.432 4.781 4.350 -0.000 0.000 0.292 98 T C 1.141 175.769 174.700 -0.121 0.000 1.001 98 T CA -0.327 61.697 62.100 -0.126 0.000 0.920 98 T CB 0.562 69.406 68.868 -0.040 0.000 1.140 98 T HN -0.043 nan 8.240 nan 0.000 0.525 99 A N 0.714 123.283 122.820 -0.419 0.000 2.370 99 A HA 0.415 4.735 4.320 -0.000 0.000 0.238 99 A C 0.481 177.703 177.584 -0.604 0.000 1.289 99 A CA -0.289 51.457 52.037 -0.485 0.000 0.885 99 A CB -0.310 18.410 19.000 -0.467 0.000 0.961 99 A HN 0.508 nan 8.150 nan 0.000 0.499 100 D N -0.296 119.823 120.400 -0.468 0.000 2.294 100 D HA 0.508 5.147 4.640 -0.000 0.000 0.250 100 D C -0.042 176.081 176.300 -0.294 0.000 1.058 100 D CA -0.303 53.514 54.000 -0.305 0.000 0.950 100 D CB 0.775 41.472 40.800 -0.172 0.000 1.158 100 D HN 0.022 nan 8.370 nan 0.000 0.453 101 R N 1.316 121.678 120.500 -0.230 0.000 2.460 101 R HA 0.533 4.873 4.340 -0.000 0.000 0.303 101 R C -2.420 173.821 176.300 -0.098 0.000 0.968 101 R CA -2.179 53.801 56.100 -0.199 0.000 0.889 101 R CB 1.475 31.657 30.300 -0.196 0.000 1.123 101 R HN 0.287 nan 8.270 nan 0.000 0.455 102 P HA 0.183 nan 4.420 nan 0.000 0.275 102 P C -2.454 174.834 177.300 -0.021 0.000 1.227 102 P CA -1.194 61.888 63.100 -0.030 0.000 0.781 102 P CB 0.114 31.808 31.700 -0.010 0.000 0.906 103 P HA 0.024 nan 4.420 nan 0.000 0.267 103 P C -0.705 176.585 177.300 -0.018 0.000 1.200 103 P CA 0.284 63.377 63.100 -0.012 0.000 0.772 103 P CB 0.361 32.058 31.700 -0.005 0.000 0.855 104 V N -0.739 119.150 119.914 -0.042 0.000 2.925 104 V HA 0.415 4.535 4.120 -0.000 0.000 0.311 104 V C -2.256 173.757 176.094 -0.134 0.000 1.104 104 V CA -2.353 59.912 62.300 -0.059 0.000 0.954 104 V CB 1.659 33.443 31.823 -0.065 0.000 1.022 104 V HN 0.164 nan 8.190 nan 0.000 0.427 105 P HA 0.040 nan 4.420 nan 0.000 0.222 105 P C 1.575 178.605 177.300 -0.450 0.000 1.147 105 P CA 1.112 64.064 63.100 -0.247 0.000 0.790 105 P CB 0.113 31.701 31.700 -0.186 0.000 0.780 106 I N -0.181 120.053 120.570 -0.559 0.000 2.113 106 I HA -0.350 3.820 4.170 -0.000 0.000 0.242 106 I C 2.526 178.269 176.117 -0.622 0.000 1.064 106 I CA 2.409 63.347 61.300 -0.603 0.000 1.320 106 I CB -1.613 36.117 38.000 -0.449 0.000 1.028 106 I HN 0.127 nan 8.210 nan 0.000 0.406 107 T N -1.189 112.990 114.554 -0.626 0.000 2.665 107 T HA -0.350 3.999 4.350 -0.000 0.000 0.268 107 T C 1.855 176.267 174.700 -0.480 0.000 1.035 107 T CA 1.985 63.569 62.100 -0.860 0.000 1.151 107 T CB -0.651 68.028 68.868 -0.314 0.000 0.862 107 T HN 0.463 nan 8.240 nan 0.000 0.438 108 Q N 0.397 120.038 119.800 -0.266 0.000 2.050 108 Q HA -0.015 4.325 4.340 -0.000 0.000 0.202 108 Q C 2.479 178.386 176.000 -0.155 0.000 0.980 108 Q CA 1.601 57.318 55.803 -0.143 0.000 0.840 108 Q CB -0.322 28.354 28.738 -0.103 0.000 0.898 108 Q HN 0.697 nan 8.270 nan 0.000 0.424 109 I N 0.578 121.012 120.570 -0.228 0.000 2.208 109 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 109 I C 1.702 177.727 176.117 -0.153 0.000 1.097 109 I CA 1.007 62.192 61.300 -0.190 0.000 1.363 109 I CB -0.090 37.748 38.000 -0.268 0.000 1.051 109 I HN 0.279 nan 8.210 nan 0.000 0.413 110 L N 0.921 122.007 121.223 -0.228 0.000 2.675 110 L HA 0.124 4.464 4.340 -0.000 0.000 0.239 110 L C 1.124 178.028 176.870 0.057 0.000 1.151 110 L CA 0.116 54.892 54.840 -0.108 0.000 0.905 110 L CB -0.934 41.006 42.059 -0.197 0.000 1.057 110 L HN 0.462 nan 8.230 nan 0.000 0.435 111 G N 0.056 108.870 108.800 0.022 0.000 2.372 111 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.297 111 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.297 111 G C 0.514 175.560 174.900 0.243 0.000 1.005 111 G CA 0.201 45.357 45.100 0.093 0.000 1.173 111 G HN 0.322 nan 8.290 nan 0.000 0.511 112 F N 0.672 120.612 119.950 -0.016 0.000 2.038 112 F HA 0.309 4.836 4.527 -0.001 0.000 0.288 112 F C 2.272 178.071 175.800 -0.002 0.000 1.296 112 F CA 1.100 59.096 58.000 -0.006 0.000 1.133 112 F CB -0.321 38.678 39.000 -0.000 0.000 0.969 112 F HN 0.927 nan 8.300 nan 0.000 0.499 113 G N 0.107 109.047 108.800 0.234 0.000 2.542 113 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.235 113 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.235 113 G C -2.107 172.827 174.900 0.056 0.000 1.286 113 G CA -0.324 44.841 45.100 0.108 0.000 0.904 113 G HN 0.283 nan 8.290 nan 0.000 0.577 114 P HA -0.145 nan 4.420 nan 0.000 0.205 114 P C 0.774 178.077 177.300 0.006 0.000 1.046 114 P CA 2.538 65.648 63.100 0.017 0.000 0.968 114 P CB -0.197 31.508 31.700 0.009 0.000 0.753 115 R N -0.929 119.560 120.500 -0.018 0.000 2.674 115 R HA 0.426 4.765 4.340 -0.000 0.000 0.270 115 R C -0.757 175.498 176.300 -0.076 0.000 1.492 115 R CA -0.210 55.866 56.100 -0.039 0.000 1.624 115 R CB -0.449 29.828 30.300 -0.038 0.000 1.307 115 R HN 0.034 nan 8.270 nan 0.000 0.683 116 S N 0.653 116.288 115.700 -0.108 0.000 2.526 116 S HA 0.220 4.690 4.470 -0.000 0.000 0.220 116 S C -0.434 173.921 174.600 -0.409 0.000 1.159 116 S CA -0.699 57.388 58.200 -0.190 0.000 1.196 116 S CB 0.597 63.722 63.200 -0.125 0.000 1.225 116 S HN 0.473 nan 8.310 nan 0.000 0.432 117 Q N 0.203 119.783 119.800 -0.366 0.000 2.359 117 Q HA 0.758 5.097 4.340 -0.000 0.000 0.275 117 Q C 0.903 176.707 176.000 -0.326 0.000 1.082 117 Q CA -1.135 54.328 55.803 -0.565 0.000 0.849 117 Q CB 1.096 29.784 28.738 -0.083 0.000 1.377 117 Q HN 0.317 nan 8.270 nan 0.000 0.452 118 G N -0.192 108.478 108.800 -0.218 0.000 3.224 118 G HA2 0.214 4.174 3.960 -0.000 0.000 0.161 118 G HA3 0.214 4.174 3.960 -0.000 0.000 0.161 118 G C 0.437 175.415 174.900 0.131 0.000 1.872 118 G CA 0.171 45.260 45.100 -0.018 0.000 1.012 118 G HN 0.371 nan 8.290 nan 0.000 0.504 119 V N -1.440 118.627 119.914 0.254 0.000 3.029 119 V HA 0.200 4.319 4.120 -0.000 0.000 0.230 119 V C 2.061 178.435 176.094 0.468 0.000 1.254 119 V CA 0.320 62.844 62.300 0.374 0.000 1.276 119 V CB -0.685 31.300 31.823 0.271 0.000 1.080 119 V HN 0.388 nan 8.190 nan 0.000 0.495 120 F N 1.334 121.442 119.950 0.263 0.000 2.043 120 F HA -0.211 4.316 4.527 -0.000 0.000 0.297 120 F C 1.812 177.712 175.800 0.166 0.000 1.118 120 F CA 2.195 60.325 58.000 0.216 0.000 1.202 120 F CB 0.016 39.132 39.000 0.192 0.000 0.965 120 F HN 0.008 nan 8.300 nan 0.000 0.482 121 L N -0.780 120.665 121.223 0.369 0.000 2.640 121 L HA 0.317 4.657 4.340 -0.000 0.000 0.230 121 L C 1.012 177.991 176.870 0.183 0.000 1.123 121 L CA -0.112 54.869 54.840 0.234 0.000 0.900 121 L CB -0.862 41.386 42.059 0.315 0.000 1.146 121 L HN 0.054 nan 8.230 nan 0.000 0.484 122 A N 1.098 124.052 122.820 0.224 0.000 2.483 122 A HA 0.272 4.592 4.320 -0.000 0.000 0.238 122 A C 0.295 177.918 177.584 0.065 0.000 1.070 122 A CA 0.010 52.169 52.037 0.204 0.000 0.770 122 A CB 0.153 19.333 19.000 0.300 0.000 1.008 122 A HN 0.296 nan 8.150 nan 0.000 0.497 123 R N 0.284 120.827 120.500 0.072 0.000 2.357 123 R HA 0.170 4.510 4.340 -0.000 0.000 0.296 123 R C -0.787 175.526 176.300 0.022 0.000 1.052 123 R CA -0.443 55.663 56.100 0.010 0.000 0.988 123 R CB 0.673 30.997 30.300 0.039 0.000 1.025 123 R HN 0.731 nan 8.270 nan 0.000 0.469 124 Y N 1.981 122.142 120.300 -0.232 0.000 2.852 124 Y HA 0.033 4.583 4.550 -0.001 0.000 0.343 124 Y C 0.475 176.375 175.900 0.001 0.000 1.280 124 Y CA 1.715 59.688 58.100 -0.212 0.000 1.604 124 Y CB -0.105 38.191 38.460 -0.273 0.000 1.216 124 Y HN 0.776 nan 8.280 nan 0.000 0.541 125 G N 5.554 114.249 108.800 -0.174 0.000 2.320 125 G HA2 0.162 4.122 3.960 -0.000 0.000 0.296 125 G HA3 0.162 4.122 3.960 -0.000 0.000 0.296 125 G C -2.518 172.356 174.900 -0.043 0.000 1.306 125 G CA -0.540 44.486 45.100 -0.124 0.000 0.836 125 G HN 0.237 nan 8.290 nan 0.000 0.517 126 P HA -0.209 nan 4.420 nan 0.000 0.216 126 P C 2.202 179.496 177.300 -0.011 0.000 1.167 126 P CA 2.939 66.025 63.100 -0.023 0.000 0.914 126 P CB -0.218 31.470 31.700 -0.021 0.000 0.793 127 A N -0.687 122.136 122.820 0.005 0.000 1.896 127 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 127 A C 2.310 179.907 177.584 0.023 0.000 1.206 127 A CA 2.428 54.461 52.037 -0.006 0.000 0.647 127 A CB -2.087 16.923 19.000 0.017 0.000 0.828 127 A HN 0.384 nan 8.150 nan 0.000 0.455 128 W N 0.205 121.465 121.300 -0.066 0.000 2.409 128 W HA -0.080 4.580 4.660 -0.001 0.000 0.299 128 W C 2.393 178.898 176.519 -0.024 0.000 1.203 128 W CA 1.587 58.913 57.345 -0.030 0.000 1.298 128 W CB -0.157 29.304 29.460 0.002 0.000 1.127 128 W HN 0.235 nan 8.180 nan 0.000 0.528 129 R N 0.396 120.861 120.500 -0.058 0.000 2.097 129 R HA -0.212 4.127 4.340 -0.000 0.000 0.236 129 R C 2.217 178.357 176.300 -0.267 0.000 1.135 129 R CA 1.955 57.898 56.100 -0.263 0.000 0.934 129 R CB -0.890 29.388 30.300 -0.037 0.000 0.846 129 R HN 0.200 nan 8.270 nan 0.000 0.431 130 E N 0.179 120.285 120.200 -0.156 0.000 2.164 130 E HA -0.267 4.083 4.350 -0.000 0.000 0.206 130 E C 1.980 178.481 176.600 -0.166 0.000 1.032 130 E CA 1.562 57.880 56.400 -0.136 0.000 0.832 130 E CB 0.060 29.647 29.700 -0.188 0.000 0.742 130 E HN 0.370 nan 8.360 nan 0.000 0.460 131 Q N -0.776 118.876 119.800 -0.247 0.000 2.349 131 Q HA 0.070 4.410 4.340 -0.000 0.000 0.209 131 Q C 2.112 178.027 176.000 -0.142 0.000 0.920 131 Q CA 0.020 55.725 55.803 -0.164 0.000 0.901 131 Q CB -0.000 28.641 28.738 -0.162 0.000 1.021 131 Q HN 0.180 nan 8.270 nan 0.000 0.519 132 R N 0.814 121.045 120.500 -0.447 0.000 2.105 132 R HA -0.109 4.231 4.340 -0.000 0.000 0.239 132 R C 2.126 178.306 176.300 -0.201 0.000 1.135 132 R CA 1.350 57.187 56.100 -0.438 0.000 0.967 132 R CB 0.064 29.823 30.300 -0.903 0.000 0.861 132 R HN 0.052 nan 8.270 nan 0.000 0.442 133 R N -0.748 119.656 120.500 -0.159 0.000 2.090 133 R HA -0.099 4.241 4.340 -0.000 0.000 0.228 133 R C 2.074 178.399 176.300 0.043 0.000 1.110 133 R CA 1.212 57.280 56.100 -0.054 0.000 0.973 133 R CB -0.255 30.024 30.300 -0.034 0.000 0.869 133 R HN 0.186 nan 8.270 nan 0.000 0.440 134 F N 0.235 120.172 119.950 -0.021 0.000 2.206 134 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 134 F C 1.937 177.774 175.800 0.061 0.000 1.090 134 F CA 1.447 59.489 58.000 0.070 0.000 1.323 134 F CB -0.031 39.077 39.000 0.180 0.000 1.028 134 F HN -0.070 nan 8.300 nan 0.000 0.492 135 S N 0.252 115.899 115.700 -0.088 0.000 2.371 135 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 135 S C 2.320 176.825 174.600 -0.159 0.000 1.029 135 S CA 1.219 59.315 58.200 -0.173 0.000 0.978 135 S CB -0.625 62.592 63.200 0.027 0.000 0.833 135 S HN 0.462 nan 8.310 nan 0.000 0.466 136 V N 0.709 120.564 119.914 -0.099 0.000 2.343 136 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 136 V C 2.026 178.061 176.094 -0.099 0.000 1.051 136 V CA 2.258 64.512 62.300 -0.077 0.000 1.036 136 V CB -1.227 30.568 31.823 -0.048 0.000 0.654 136 V HN 0.366 nan 8.190 nan 0.000 0.451 137 S N 0.521 116.149 115.700 -0.119 0.000 2.365 137 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 137 S C 2.000 176.506 174.600 -0.158 0.000 1.039 137 S CA 2.427 60.557 58.200 -0.117 0.000 1.033 137 S CB -0.712 62.429 63.200 -0.099 0.000 0.887 137 S HN 0.839 nan 8.310 nan 0.000 0.447 138 T N 2.387 116.773 114.554 -0.281 0.000 2.857 138 T HA 0.130 4.480 4.350 -0.000 0.000 0.266 138 T C 1.725 176.340 174.700 -0.143 0.000 1.048 138 T CA 0.710 62.646 62.100 -0.273 0.000 1.139 138 T CB -0.267 68.283 68.868 -0.530 0.000 0.874 138 T HN 0.246 nan 8.240 nan 0.000 0.455 139 L N 0.479 121.629 121.223 -0.120 0.000 2.191 139 L HA -0.025 4.315 4.340 -0.000 0.000 0.212 139 L C 2.776 179.611 176.870 -0.059 0.000 1.103 139 L CA 1.132 55.937 54.840 -0.058 0.000 0.769 139 L CB -0.400 41.636 42.059 -0.037 0.000 0.908 139 L HN 0.180 nan 8.230 nan 0.000 0.438 140 R N 0.192 120.651 120.500 -0.068 0.000 2.057 140 R HA -0.079 4.261 4.340 -0.000 0.000 0.224 140 R C 2.170 178.431 176.300 -0.064 0.000 1.136 140 R CA 1.001 57.065 56.100 -0.060 0.000 0.968 140 R CB 0.011 30.279 30.300 -0.054 0.000 0.863 140 R HN 0.290 nan 8.270 nan 0.000 0.433 141 N N 1.056 119.717 118.700 -0.065 0.000 2.069 141 N HA -0.226 4.513 4.740 -0.000 0.000 0.196 141 N C 1.796 177.261 175.510 -0.074 0.000 1.024 141 N CA 1.587 54.601 53.050 -0.059 0.000 0.869 141 N CB -0.318 38.140 38.487 -0.050 0.000 1.035 141 N HN 0.300 nan 8.380 nan 0.000 0.434 142 L N -0.146 121.027 121.223 -0.084 0.000 2.270 142 L HA 0.086 4.426 4.340 -0.000 0.000 0.210 142 L C 2.473 179.239 176.870 -0.172 0.000 1.104 142 L CA 0.631 55.388 54.840 -0.138 0.000 0.804 142 L CB -0.762 41.238 42.059 -0.099 0.000 0.937 142 L HN 0.158 nan 8.230 nan 0.000 0.450 143 G N 1.310 110.043 108.800 -0.111 0.000 2.586 143 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.218 143 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.218 143 G C 1.170 176.002 174.900 -0.113 0.000 1.216 143 G CA 1.375 46.416 45.100 -0.099 0.000 0.786 143 G HN 0.369 nan 8.290 nan 0.000 0.583 144 L N -0.173 120.994 121.223 -0.095 0.000 3.520 144 L HA 0.391 4.731 4.340 -0.000 0.000 0.323 144 L C 2.359 179.183 176.870 -0.077 0.000 1.246 144 L CA 0.475 55.263 54.840 -0.086 0.000 1.085 144 L CB 0.229 42.249 42.059 -0.065 0.000 1.477 144 L HN 0.216 nan 8.230 nan 0.000 0.624 145 G N 1.262 110.015 108.800 -0.077 0.000 2.719 145 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 145 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 145 G C 1.047 175.906 174.900 -0.068 0.000 1.234 145 G CA 0.962 46.023 45.100 -0.065 0.000 0.788 145 G HN 0.372 nan 8.290 nan 0.000 0.619 146 K N -0.058 120.285 120.400 -0.095 0.000 3.239 146 K HA 0.285 4.605 4.320 -0.000 0.000 0.204 146 K C -0.035 176.484 176.600 -0.135 0.000 1.126 146 K CA -0.248 55.984 56.287 -0.092 0.000 0.948 146 K CB 0.689 33.148 32.500 -0.067 0.000 0.818 146 K HN 0.294 nan 8.250 nan 0.000 0.480 147 K N -0.946 119.369 120.400 -0.143 0.000 3.086 147 K HA -0.298 4.021 4.320 -0.000 0.000 0.288 147 K C 0.974 177.396 176.600 -0.297 0.000 1.127 147 K CA 0.764 56.949 56.287 -0.169 0.000 0.854 147 K CB -1.641 30.790 32.500 -0.115 0.000 1.213 147 K HN 0.197 nan 8.250 nan 0.000 0.456 148 S N 1.007 116.462 115.700 -0.409 0.000 2.427 148 S HA -0.193 4.277 4.470 -0.000 0.000 0.231 148 S C 1.784 175.707 174.600 -1.128 0.000 1.045 148 S CA 1.766 59.468 58.200 -0.830 0.000 1.154 148 S CB -0.139 62.577 63.200 -0.806 0.000 1.093 148 S HN 0.355 nan 8.310 nan 0.000 0.422 149 L N 0.939 121.702 121.223 -0.768 0.000 2.043 149 L HA -0.215 4.124 4.340 -0.000 0.000 0.212 149 L C 2.719 179.452 176.870 -0.228 0.000 1.075 149 L CA 1.710 56.295 54.840 -0.425 0.000 0.752 149 L CB -0.532 41.431 42.059 -0.161 0.000 0.891 149 L HN 0.467 nan 8.230 nan 0.000 0.432 150 E N -0.259 119.815 120.200 -0.211 0.000 2.023 150 E HA -0.330 4.019 4.350 -0.000 0.000 0.196 150 E C 2.132 178.677 176.600 -0.092 0.000 1.003 150 E CA 1.677 58.010 56.400 -0.112 0.000 0.809 150 E CB -0.039 29.608 29.700 -0.089 0.000 0.755 150 E HN 0.364 nan 8.360 nan 0.000 0.449 151 Q N -0.210 119.500 119.800 -0.150 0.000 2.082 151 Q HA -0.222 4.118 4.340 -0.000 0.000 0.211 151 Q C 1.865 177.903 176.000 0.064 0.000 1.002 151 Q CA 2.761 58.518 55.803 -0.077 0.000 0.868 151 Q CB -0.283 28.368 28.738 -0.144 0.000 0.931 151 Q HN 0.437 nan 8.270 nan 0.000 0.414 152 W N -0.563 120.738 121.300 0.001 0.000 2.363 152 W HA -0.082 4.578 4.660 -0.000 0.000 0.296 152 W C 2.131 178.656 176.519 0.010 0.000 1.212 152 W CA 0.745 58.096 57.345 0.010 0.000 1.260 152 W CB -1.076 28.394 29.460 0.017 0.000 1.131 152 W HN 0.138 nan 8.180 nan 0.000 0.530 153 V N 0.762 120.781 119.914 0.177 0.000 2.270 153 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 153 V C 2.303 178.349 176.094 -0.080 0.000 1.043 153 V CA 2.744 65.040 62.300 -0.006 0.000 1.014 153 V CB -1.639 30.109 31.823 -0.126 0.000 0.645 153 V HN 0.112 nan 8.190 nan 0.000 0.447 154 T N 1.314 115.843 114.554 -0.041 0.000 2.699 154 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 154 T C 1.711 176.433 174.700 0.036 0.000 1.036 154 T CA 1.959 64.044 62.100 -0.024 0.000 1.147 154 T CB -0.477 68.391 68.868 0.001 0.000 0.862 154 T HN 0.855 nan 8.240 nan 0.000 0.446 155 E N 1.511 121.756 120.200 0.076 0.000 2.106 155 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 155 E C 2.165 178.843 176.600 0.129 0.000 0.984 155 E CA 1.114 57.570 56.400 0.093 0.000 0.806 155 E CB -0.270 29.489 29.700 0.098 0.000 0.750 155 E HN 0.353 nan 8.360 nan 0.000 0.458 156 E N 1.535 121.844 120.200 0.182 0.000 2.110 156 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 156 E C 2.006 178.858 176.600 0.421 0.000 0.988 156 E CA 1.602 58.188 56.400 0.311 0.000 0.804 156 E CB -0.401 29.551 29.700 0.420 0.000 0.745 156 E HN 0.384 nan 8.360 nan 0.000 0.458 157 A N 0.488 123.497 122.820 0.316 0.000 1.940 157 A HA -0.090 4.229 4.320 -0.000 0.000 0.219 157 A C 2.380 180.086 177.584 0.204 0.000 1.176 157 A CA 2.044 54.281 52.037 0.333 0.000 0.631 157 A CB -0.834 18.221 19.000 0.092 0.000 0.814 157 A HN 0.354 nan 8.150 nan 0.000 0.446 158 A N -1.086 121.810 122.820 0.127 0.000 1.929 158 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 158 A C 2.278 179.899 177.584 0.062 0.000 1.176 158 A CA 1.513 53.584 52.037 0.057 0.000 0.628 158 A CB -1.106 17.922 19.000 0.047 0.000 0.816 158 A HN 0.610 nan 8.150 nan 0.000 0.444 159 C N -1.254 118.106 119.300 0.100 0.000 2.462 159 C HA -0.046 4.414 4.460 -0.000 0.000 0.278 159 C C 2.458 177.568 174.990 0.200 0.000 1.253 159 C CA 0.927 59.982 59.018 0.062 0.000 1.713 159 C CB -1.488 26.227 27.740 -0.042 0.000 2.049 159 C HN 0.645 nan 8.230 nan 0.000 0.477 160 L N 1.149 122.575 121.223 0.339 0.000 2.021 160 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 160 L C 2.506 179.540 176.870 0.274 0.000 1.074 160 L CA 1.978 57.040 54.840 0.370 0.000 0.760 160 L CB -1.068 41.145 42.059 0.255 0.000 0.889 160 L HN 0.458 nan 8.230 nan 0.000 0.433 161 C N -0.981 118.420 119.300 0.170 0.000 2.425 161 C HA -0.135 4.324 4.460 -0.000 0.000 0.277 161 C C 2.966 178.141 174.990 0.309 0.000 1.280 161 C CA 0.625 59.765 59.018 0.203 0.000 1.744 161 C CB -1.595 26.062 27.740 -0.139 0.000 1.989 161 C HN 0.743 nan 8.230 nan 0.000 0.491 162 A N 0.410 123.338 122.820 0.179 0.000 1.873 162 A HA 0.076 4.396 4.320 -0.000 0.000 0.215 162 A C 2.385 180.094 177.584 0.209 0.000 1.186 162 A CA 2.067 54.196 52.037 0.154 0.000 0.616 162 A CB -1.030 18.008 19.000 0.065 0.000 0.823 162 A HN 0.558 nan 8.150 nan 0.000 0.442 163 A N -0.907 122.070 122.820 0.263 0.000 1.865 163 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 163 A C 1.952 179.700 177.584 0.273 0.000 1.191 163 A CA 1.769 53.980 52.037 0.291 0.000 0.623 163 A CB -0.882 18.411 19.000 0.488 0.000 0.826 163 A HN 0.435 nan 8.150 nan 0.000 0.444 164 F N 0.190 120.187 119.950 0.078 0.000 2.065 164 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 164 F C 2.865 178.616 175.800 -0.082 0.000 1.112 164 F CA 1.095 59.037 58.000 -0.097 0.000 1.212 164 F CB -0.917 37.902 39.000 -0.302 0.000 0.975 164 F HN 0.265 nan 8.300 nan 0.000 0.476 165 A N -0.234 122.810 122.820 0.373 0.000 1.972 165 A HA -0.225 4.094 4.320 -0.000 0.000 0.219 165 A C 1.914 179.600 177.584 0.169 0.000 1.169 165 A CA 1.849 54.134 52.037 0.414 0.000 0.635 165 A CB -1.156 18.117 19.000 0.455 0.000 0.810 165 A HN 0.569 nan 8.150 nan 0.000 0.446 166 N N -1.406 117.337 118.700 0.071 0.000 2.573 166 N HA -0.132 4.608 4.740 -0.000 0.000 0.187 166 N C 0.743 176.118 175.510 -0.225 0.000 1.107 166 N CA 0.601 53.609 53.050 -0.070 0.000 0.918 166 N CB -0.185 38.237 38.487 -0.109 0.000 0.966 166 N HN 0.679 nan 8.380 nan 0.000 0.448 167 H N -0.177 118.771 119.070 -0.203 0.000 2.539 167 H HA 0.204 4.760 4.556 -0.001 0.000 0.267 167 H C 0.299 175.571 175.328 -0.094 0.000 0.982 167 H CA 0.038 55.932 56.048 -0.256 0.000 1.146 167 H CB 0.396 29.796 29.762 -0.604 0.000 1.382 167 H HN -0.057 nan 8.280 nan 0.000 0.577 168 S N 0.105 115.839 115.700 0.057 0.000 3.486 168 S HA -0.245 4.225 4.470 -0.000 0.000 0.371 168 S C 1.761 176.417 174.600 0.095 0.000 1.001 168 S CA 0.717 58.962 58.200 0.074 0.000 1.164 168 S CB -1.810 61.412 63.200 0.037 0.000 0.911 168 S HN 1.018 nan 8.310 nan 0.000 0.472 169 G N -0.084 108.792 108.800 0.127 0.000 2.257 169 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.267 169 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.267 169 G C 0.189 175.159 174.900 0.116 0.000 0.984 169 G CA 0.554 45.728 45.100 0.123 0.000 0.626 169 G HN 0.617 nan 8.290 nan 0.000 0.540 170 R N 1.591 122.159 120.500 0.114 0.000 2.537 170 R HA 0.267 4.607 4.340 -0.000 0.000 0.280 170 R C -1.925 174.475 176.300 0.167 0.000 1.058 170 R CA -1.225 54.940 56.100 0.109 0.000 1.057 170 R CB 0.265 30.617 30.300 0.088 0.000 0.973 170 R HN 0.284 nan 8.270 nan 0.000 0.438 171 P HA 0.155 nan 4.420 nan 0.000 0.272 171 P C -0.858 176.520 177.300 0.130 0.000 1.223 171 P CA 0.109 63.263 63.100 0.091 0.000 0.784 171 P CB 0.437 32.142 31.700 0.009 0.000 0.923 172 F N -1.009 118.794 119.950 -0.245 0.000 2.741 172 F HA 0.626 5.152 4.527 -0.001 0.000 0.313 172 F C -1.056 174.520 175.800 -0.373 0.000 1.153 172 F CA -1.471 56.319 58.000 -0.351 0.000 0.931 172 F CB 1.377 39.969 39.000 -0.680 0.000 1.335 172 F HN 0.240 nan 8.300 nan 0.000 0.460 173 R N 0.856 121.132 120.500 -0.373 0.000 2.393 173 R HA 0.510 4.850 4.340 -0.000 0.000 0.310 173 R C -2.706 173.317 176.300 -0.462 0.000 0.968 173 R CA -1.698 54.057 56.100 -0.575 0.000 0.867 173 R CB 1.668 31.679 30.300 -0.482 0.000 1.124 173 R HN 0.437 nan 8.270 nan 0.000 0.450 174 P HA 0.003 nan 4.420 nan 0.000 0.245 174 P C 0.080 177.296 177.300 -0.140 0.000 1.212 174 P CA 0.290 63.209 63.100 -0.301 0.000 0.774 174 P CB 0.106 31.669 31.700 -0.228 0.000 0.999 175 N N 0.749 119.314 118.700 -0.225 0.000 2.043 175 N HA -0.134 4.605 4.740 -0.000 0.000 0.193 175 N C 2.073 177.511 175.510 -0.120 0.000 1.037 175 N CA 1.920 54.869 53.050 -0.168 0.000 0.851 175 N CB -0.996 37.364 38.487 -0.210 0.000 1.027 175 N HN 0.203 nan 8.380 nan 0.000 0.422 176 G N 1.958 110.686 108.800 -0.119 0.000 2.440 176 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.218 176 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.218 176 G C 1.727 176.556 174.900 -0.120 0.000 1.154 176 G CA 0.334 45.363 45.100 -0.118 0.000 0.767 176 G HN 0.163 nan 8.290 nan 0.000 0.552 177 L N -0.131 121.051 121.223 -0.068 0.000 2.093 177 L HA 0.035 4.374 4.340 -0.000 0.000 0.208 177 L C 2.894 179.730 176.870 -0.058 0.000 1.085 177 L CA 0.389 55.195 54.840 -0.056 0.000 0.755 177 L CB -0.291 41.836 42.059 0.114 0.000 0.904 177 L HN 0.202 nan 8.230 nan 0.000 0.435 178 L N -0.568 120.649 121.223 -0.010 0.000 2.083 178 L HA -0.249 4.090 4.340 -0.000 0.000 0.209 178 L C 2.206 179.013 176.870 -0.105 0.000 1.083 178 L CA 1.124 55.924 54.840 -0.066 0.000 0.752 178 L CB -0.607 41.433 42.059 -0.031 0.000 0.899 178 L HN 0.316 nan 8.230 nan 0.000 0.433 179 D N 0.160 120.502 120.400 -0.095 0.000 2.117 179 D HA -0.151 4.489 4.640 -0.000 0.000 0.198 179 D C 2.174 178.440 176.300 -0.057 0.000 0.982 179 D CA 1.142 55.095 54.000 -0.078 0.000 0.828 179 D CB -0.013 40.721 40.800 -0.110 0.000 0.967 179 D HN 0.299 nan 8.370 nan 0.000 0.464 180 K N 0.937 121.256 120.400 -0.134 0.000 2.026 180 K HA -0.072 4.247 4.320 -0.000 0.000 0.208 180 K C 2.193 178.882 176.600 0.148 0.000 1.048 180 K CA 1.271 57.535 56.287 -0.038 0.000 0.929 180 K CB -0.086 32.167 32.500 -0.411 0.000 0.713 180 K HN 0.010 nan 8.250 nan 0.000 0.439 181 A N 0.907 123.708 122.820 -0.032 0.000 1.855 181 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 181 A C 2.403 180.085 177.584 0.165 0.000 1.191 181 A CA 1.521 53.621 52.037 0.105 0.000 0.613 181 A CB -0.804 18.127 19.000 -0.115 0.000 0.829 181 A HN 0.063 nan 8.150 nan 0.000 0.442 182 V N -0.003 119.918 119.914 0.012 0.000 2.255 182 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 182 V C 2.783 179.001 176.094 0.208 0.000 1.051 182 V CA 2.418 64.799 62.300 0.135 0.000 1.018 182 V CB -1.120 30.744 31.823 0.067 0.000 0.641 182 V HN 0.552 nan 8.190 nan 0.000 0.445 183 S N 0.348 116.191 115.700 0.238 0.000 2.372 183 S HA -0.269 4.201 4.470 -0.000 0.000 0.227 183 S C 1.933 176.775 174.600 0.403 0.000 1.044 183 S CA 1.889 60.314 58.200 0.374 0.000 1.050 183 S CB -0.597 62.919 63.200 0.527 0.000 0.901 183 S HN 0.608 nan 8.310 nan 0.000 0.447 184 N N 0.975 119.924 118.700 0.415 0.000 2.205 184 N HA -0.071 4.669 4.740 -0.000 0.000 0.186 184 N C 1.607 177.212 175.510 0.159 0.000 1.015 184 N CA 0.846 54.060 53.050 0.274 0.000 0.862 184 N CB -0.640 37.999 38.487 0.254 0.000 0.986 184 N HN 0.219 nan 8.380 nan 0.000 0.429 185 V N 0.733 120.771 119.914 0.207 0.000 2.343 185 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 185 V C 2.062 178.185 176.094 0.048 0.000 1.051 185 V CA 1.139 63.548 62.300 0.181 0.000 1.036 185 V CB -0.315 31.675 31.823 0.278 0.000 0.654 185 V HN 0.151 nan 8.190 nan 0.000 0.451 186 I N 0.666 121.202 120.570 -0.055 0.000 2.252 186 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 186 I C 2.585 178.519 176.117 -0.305 0.000 1.102 186 I CA 1.560 62.671 61.300 -0.315 0.000 1.385 186 I CB -0.914 36.644 38.000 -0.736 0.000 1.064 186 I HN 0.187 nan 8.210 nan 0.000 0.414 187 A N -0.258 122.523 122.820 -0.065 0.000 1.927 187 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 187 A C 2.505 180.001 177.584 -0.147 0.000 1.185 187 A CA 2.510 54.649 52.037 0.171 0.000 0.639 187 A CB -1.021 18.194 19.000 0.358 0.000 0.820 187 A HN 0.439 nan 8.150 nan 0.000 0.451 188 S N -0.746 114.769 115.700 -0.308 0.000 2.368 188 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 188 S C 1.812 175.891 174.600 -0.868 0.000 1.029 188 S CA 1.334 59.085 58.200 -0.748 0.000 0.988 188 S CB -0.404 62.240 63.200 -0.926 0.000 0.838 188 S HN 0.463 nan 8.310 nan 0.000 0.462 189 L N 1.877 122.848 121.223 -0.420 0.000 2.131 189 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 189 L C 2.192 179.042 176.870 -0.033 0.000 1.092 189 L CA 2.041 56.826 54.840 -0.091 0.000 0.759 189 L CB -0.739 41.368 42.059 0.080 0.000 0.903 189 L HN 0.535 nan 8.230 nan 0.000 0.435 190 T N -7.498 107.023 114.554 -0.056 0.000 3.004 190 T HA 0.093 4.443 4.350 -0.000 0.000 0.266 190 T C 1.240 175.972 174.700 0.053 0.000 0.986 190 T CA 0.485 62.626 62.100 0.067 0.000 0.902 190 T CB -0.651 68.299 68.868 0.136 0.000 1.118 190 T HN 0.269 nan 8.240 nan 0.000 0.522 191 C N 0.504 119.729 119.300 -0.125 0.000 3.724 191 C HA 0.750 5.210 4.460 -0.000 0.000 0.327 191 C C 2.360 176.925 174.990 -0.708 0.000 1.490 191 C CA -0.181 58.644 59.018 -0.323 0.000 1.825 191 C CB -0.086 27.575 27.740 -0.132 0.000 2.613 191 C HN 0.817 nan 8.230 nan 0.000 0.692 192 G N 1.854 110.343 108.800 -0.517 0.000 2.990 192 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.225 192 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.225 192 G C 0.305 174.939 174.900 -0.445 0.000 1.304 192 G CA 0.305 45.147 45.100 -0.431 0.000 0.816 192 G HN 0.557 nan 8.290 nan 0.000 0.528 193 R N 1.567 121.787 120.500 -0.466 0.000 2.738 193 R HA 0.535 4.875 4.340 -0.000 0.000 0.268 193 R C 1.103 177.064 176.300 -0.565 0.000 1.062 193 R CA 0.353 56.150 56.100 -0.506 0.000 1.158 193 R CB 0.385 30.290 30.300 -0.658 0.000 1.046 193 R HN 0.809 nan 8.270 nan 0.000 0.493 194 R N 0.749 120.950 120.500 -0.498 0.000 2.700 194 R HA 0.415 4.754 4.340 -0.000 0.000 0.253 194 R C -1.088 174.824 176.300 -0.647 0.000 1.091 194 R CA -0.592 55.239 56.100 -0.447 0.000 1.104 194 R CB 0.881 31.050 30.300 -0.218 0.000 1.202 194 R HN 0.370 nan 8.270 nan 0.000 0.532 195 F N -0.137 119.587 119.950 -0.377 0.000 2.532 195 F HA 0.273 4.800 4.527 -0.000 0.000 0.321 195 F C 0.135 175.748 175.800 -0.313 0.000 1.089 195 F CA -1.080 56.634 58.000 -0.476 0.000 0.926 195 F CB 2.061 40.428 39.000 -1.056 0.000 1.168 195 F HN 0.533 nan 8.300 nan 0.000 0.459 196 E N 1.445 121.684 120.200 0.065 0.000 2.452 196 E HA -0.027 4.323 4.350 -0.000 0.000 0.261 196 E C 0.400 177.199 176.600 0.331 0.000 0.987 196 E CA 0.673 57.130 56.400 0.095 0.000 0.926 196 E CB 0.203 29.957 29.700 0.090 0.000 0.934 196 E HN 0.572 nan 8.360 nan 0.000 0.452 197 Y N 1.191 121.608 120.300 0.195 0.000 2.421 197 Y HA -0.193 4.357 4.550 -0.001 0.000 0.292 197 Y C 1.366 177.422 175.900 0.259 0.000 1.136 197 Y CA 0.570 58.857 58.100 0.312 0.000 1.255 197 Y CB 0.233 38.824 38.460 0.219 0.000 0.991 197 Y HN 0.522 nan 8.280 nan 0.000 0.552 198 D N -1.268 119.326 120.400 0.323 0.000 2.339 198 D HA -0.075 4.564 4.640 -0.000 0.000 0.217 198 D C 0.126 176.534 176.300 0.180 0.000 1.050 198 D CA 0.018 54.138 54.000 0.200 0.000 0.856 198 D CB -0.507 40.367 40.800 0.124 0.000 0.922 198 D HN -0.014 nan 8.370 nan 0.000 0.518 199 D N 1.354 121.899 120.400 0.242 0.000 2.426 199 D HA -0.011 4.629 4.640 -0.000 0.000 0.261 199 D C -1.384 175.014 176.300 0.163 0.000 1.245 199 D CA -1.578 52.549 54.000 0.211 0.000 0.917 199 D CB 1.445 42.415 40.800 0.283 0.000 1.123 199 D HN -0.059 nan 8.370 nan 0.000 0.508 200 P HA -0.166 nan 4.420 nan 0.000 0.217 200 P C 1.422 178.734 177.300 0.020 0.000 1.151 200 P CA 1.041 64.169 63.100 0.046 0.000 0.849 200 P CB 0.246 31.969 31.700 0.037 0.000 0.787 201 R N -1.771 118.745 120.500 0.027 0.000 2.075 201 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 201 R C 2.342 178.574 176.300 -0.113 0.000 1.126 201 R CA 1.293 57.375 56.100 -0.030 0.000 0.963 201 R CB -1.235 29.063 30.300 -0.002 0.000 0.858 201 R HN 0.316 nan 8.270 nan 0.000 0.435 202 F N 1.396 121.131 119.950 -0.358 0.000 2.098 202 F HA -0.150 4.377 4.527 -0.001 0.000 0.294 202 F C 2.152 177.817 175.800 -0.224 0.000 1.107 202 F CA 0.947 58.653 58.000 -0.490 0.000 1.234 202 F CB -0.094 38.690 39.000 -0.362 0.000 1.002 202 F HN -0.108 nan 8.300 nan 0.000 0.472 203 L N 0.339 121.467 121.223 -0.158 0.000 2.013 203 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 203 L C 2.681 179.441 176.870 -0.183 0.000 1.073 203 L CA 1.625 56.331 54.840 -0.223 0.000 0.753 203 L CB -0.895 41.110 42.059 -0.089 0.000 0.890 203 L HN 0.137 nan 8.230 nan 0.000 0.432 204 R N 0.230 120.663 120.500 -0.111 0.000 2.083 204 R HA -0.228 4.111 4.340 -0.000 0.000 0.237 204 R C 2.405 178.650 176.300 -0.091 0.000 1.137 204 R CA 1.885 57.938 56.100 -0.077 0.000 0.951 204 R CB -0.437 29.834 30.300 -0.048 0.000 0.851 204 R HN 0.227 nan 8.270 nan 0.000 0.434 205 L N 1.127 122.273 121.223 -0.129 0.000 2.012 205 L HA -0.213 4.126 4.340 -0.000 0.000 0.210 205 L C 2.217 178.980 176.870 -0.179 0.000 1.073 205 L CA 1.634 56.412 54.840 -0.105 0.000 0.748 205 L CB -0.294 41.674 42.059 -0.152 0.000 0.891 205 L HN 0.230 nan 8.230 nan 0.000 0.431 206 L N -0.818 120.224 121.223 -0.301 0.000 2.083 206 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 206 L C 2.295 179.016 176.870 -0.249 0.000 1.083 206 L CA 1.579 56.229 54.840 -0.317 0.000 0.752 206 L CB -0.927 40.867 42.059 -0.442 0.000 0.899 206 L HN 0.382 nan 8.230 nan 0.000 0.433 207 D N 0.486 120.773 120.400 -0.189 0.000 2.117 207 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 207 D C 2.317 178.575 176.300 -0.069 0.000 0.987 207 D CA 1.246 55.177 54.000 -0.115 0.000 0.829 207 D CB 0.014 40.789 40.800 -0.042 0.000 0.961 207 D HN 0.182 nan 8.370 nan 0.000 0.460 208 L N -0.163 121.039 121.223 -0.035 0.000 2.093 208 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 208 L C 2.479 179.172 176.870 -0.295 0.000 1.085 208 L CA 1.117 55.983 54.840 0.042 0.000 0.755 208 L CB -0.378 41.764 42.059 0.139 0.000 0.904 208 L HN 0.061 nan 8.230 nan 0.000 0.435 209 A N -1.039 121.408 122.820 -0.622 0.000 2.016 209 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 209 A C 2.135 179.436 177.584 -0.471 0.000 1.162 209 A CA 0.977 52.416 52.037 -0.996 0.000 0.662 209 A CB -0.165 18.238 19.000 -0.995 0.000 0.812 209 A HN 0.328 nan 8.150 nan 0.000 0.450 210 Q N -0.591 119.022 119.800 -0.312 0.000 2.008 210 Q HA -0.093 4.247 4.340 -0.000 0.000 0.196 210 Q C 2.099 177.964 176.000 -0.225 0.000 0.973 210 Q CA 1.744 57.410 55.803 -0.228 0.000 0.826 210 Q CB -0.217 28.401 28.738 -0.201 0.000 0.894 210 Q HN 0.627 nan 8.270 nan 0.000 0.439 211 E N -0.477 119.564 120.200 -0.265 0.000 2.153 211 E HA -0.096 4.253 4.350 -0.000 0.000 0.194 211 E C 1.738 178.207 176.600 -0.219 0.000 0.988 211 E CA 1.446 57.630 56.400 -0.360 0.000 0.811 211 E CB -0.598 28.623 29.700 -0.799 0.000 0.746 211 E HN 0.401 nan 8.360 nan 0.000 0.466 212 G N 0.225 108.948 108.800 -0.128 0.000 2.422 212 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.218 212 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.218 212 G C 1.433 176.296 174.900 -0.060 0.000 1.140 212 G CA 0.804 45.888 45.100 -0.027 0.000 0.775 212 G HN 0.353 nan 8.290 nan 0.000 0.545 213 L N 0.118 121.267 121.223 -0.122 0.000 2.209 213 L HA 0.348 4.688 4.340 -0.000 0.000 0.207 213 L C 2.512 179.333 176.870 -0.081 0.000 1.094 213 L CA 1.547 56.326 54.840 -0.101 0.000 0.790 213 L CB -0.375 41.607 42.059 -0.128 0.000 0.932 213 L HN 0.149 nan 8.230 nan 0.000 0.447 214 K N 0.168 120.505 120.400 -0.105 0.000 1.978 214 K HA -0.215 4.105 4.320 -0.000 0.000 0.214 214 K C 1.888 178.448 176.600 -0.066 0.000 1.049 214 K CA 2.231 58.457 56.287 -0.101 0.000 0.939 214 K CB -0.168 32.243 32.500 -0.148 0.000 0.721 214 K HN 0.467 nan 8.250 nan 0.000 0.441 215 E N 0.304 120.477 120.200 -0.045 0.000 2.171 215 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 215 E C 1.766 178.446 176.600 0.133 0.000 0.997 215 E CA 1.714 58.135 56.400 0.035 0.000 0.810 215 E CB -0.159 29.587 29.700 0.077 0.000 0.738 215 E HN 0.597 nan 8.360 nan 0.000 0.467 216 E N 0.988 121.239 120.200 0.084 0.000 2.285 216 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 216 E C 1.999 178.646 176.600 0.079 0.000 0.997 216 E CA 1.108 57.583 56.400 0.126 0.000 0.845 216 E CB -0.063 29.650 29.700 0.023 0.000 0.782 216 E HN 0.195 nan 8.360 nan 0.000 0.491 217 S N 1.091 116.781 115.700 -0.017 0.000 2.453 217 S HA 0.004 4.474 4.470 -0.000 0.000 0.231 217 S C 2.145 176.673 174.600 -0.121 0.000 1.005 217 S CA 0.502 58.639 58.200 -0.105 0.000 0.949 217 S CB -0.472 62.676 63.200 -0.088 0.000 0.774 217 S HN 0.370 nan 8.310 nan 0.000 0.510 218 G N 1.442 110.180 108.800 -0.103 0.000 2.491 218 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 218 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 218 G C 1.075 175.811 174.900 -0.273 0.000 1.180 218 G CA 1.043 46.012 45.100 -0.219 0.000 0.774 218 G HN 0.571 nan 8.290 nan 0.000 0.562 219 F N 0.270 120.150 119.950 -0.116 0.000 2.234 219 F HA 0.164 4.691 4.527 -0.001 0.000 0.299 219 F C 2.544 178.254 175.800 -0.149 0.000 1.087 219 F CA 0.510 58.443 58.000 -0.112 0.000 1.340 219 F CB -0.146 38.794 39.000 -0.100 0.000 1.031 219 F HN 0.022 nan 8.300 nan 0.000 0.500 220 L N 0.112 121.310 121.223 -0.042 0.000 2.313 220 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 220 L C 2.564 179.192 176.870 -0.403 0.000 1.119 220 L CA 0.879 55.566 54.840 -0.256 0.000 0.809 220 L CB -0.332 41.465 42.059 -0.436 0.000 0.933 220 L HN 0.155 nan 8.230 nan 0.000 0.449 221 R N -0.688 119.638 120.500 -0.291 0.000 2.223 221 R HA -0.043 4.296 4.340 -0.000 0.000 0.198 221 R C 1.580 177.871 176.300 -0.016 0.000 0.984 221 R CA 0.511 56.527 56.100 -0.140 0.000 1.018 221 R CB -0.038 30.241 30.300 -0.035 0.000 0.945 221 R HN 0.104 nan 8.270 nan 0.000 0.479 222 E N 0.790 120.958 120.200 -0.053 0.000 2.347 222 E HA -0.016 4.333 4.350 -0.000 0.000 0.196 222 E C 1.124 177.727 176.600 0.005 0.000 1.008 222 E CA 0.354 56.738 56.400 -0.027 0.000 0.852 222 E CB 0.316 29.981 29.700 -0.058 0.000 0.783 222 E HN 0.066 nan 8.360 nan 0.000 0.505 223 V N 1.140 121.057 119.914 0.004 0.000 3.570 223 V HA -0.028 4.091 4.120 -0.000 0.000 0.293 223 V C 0.491 176.622 176.094 0.061 0.000 1.237 223 V CA 0.642 62.957 62.300 0.024 0.000 1.226 223 V CB -0.480 31.347 31.823 0.008 0.000 1.028 223 V HN 0.278 nan 8.190 nan 0.000 0.430 224 L N 1.206 122.478 121.223 0.083 0.000 2.848 224 L HA 0.384 4.724 4.340 -0.000 0.000 0.240 224 L C 0.952 177.865 176.870 0.070 0.000 1.232 224 L CA -0.031 54.875 54.840 0.111 0.000 1.031 224 L CB -0.637 41.532 42.059 0.184 0.000 1.338 224 L HN 0.544 nan 8.230 nan 0.000 0.509 225 N N -0.039 118.683 118.700 0.036 0.000 2.602 225 N HA 0.055 4.795 4.740 -0.000 0.000 0.361 225 N C 0.448 175.956 175.510 -0.004 0.000 1.005 225 N CA -0.160 52.894 53.050 0.008 0.000 1.784 225 N CB 0.365 38.838 38.487 -0.024 0.000 0.718 225 N HN 0.013 nan 8.380 nan 0.000 1.682 226 A N 2.233 125.039 122.820 -0.023 0.000 2.429 226 A HA 0.392 4.711 4.320 -0.000 0.000 0.242 226 A C 0.660 178.243 177.584 -0.001 0.000 1.088 226 A CA -0.176 51.845 52.037 -0.027 0.000 0.784 226 A CB 0.226 19.199 19.000 -0.046 0.000 1.038 226 A HN 0.312 nan 8.150 nan 0.000 0.501 227 V N 2.803 122.719 119.914 0.003 0.000 2.901 227 V HA 0.073 4.193 4.120 -0.000 0.000 0.307 227 V C -0.778 175.324 176.094 0.014 0.000 1.084 227 V CA -0.506 61.802 62.300 0.015 0.000 1.184 227 V CB 0.180 32.015 31.823 0.020 0.000 0.941 227 V HN 0.991 nan 8.190 nan 0.000 0.493 228 P HA -0.174 nan 4.420 nan 0.000 0.223 228 P C 0.017 177.321 177.300 0.007 0.000 1.073 228 P CA 2.901 66.007 63.100 0.008 0.000 1.008 228 P CB -0.280 31.425 31.700 0.009 0.000 0.760 229 V N -5.678 114.241 119.914 0.008 0.000 2.444 229 V HA 0.349 4.469 4.120 -0.000 0.000 0.277 229 V C 0.556 176.654 176.094 0.007 0.000 1.779 229 V CA -0.027 62.277 62.300 0.007 0.000 0.781 229 V CB -0.671 31.149 31.823 -0.005 0.000 1.322 229 V HN 0.158 nan 8.190 nan 0.000 0.396 230 D N 2.615 123.020 120.400 0.008 0.000 2.423 230 D HA 0.508 5.147 4.640 -0.000 0.000 0.263 230 D C 1.752 178.057 176.300 0.007 0.000 1.255 230 D CA 3.093 57.099 54.000 0.009 0.000 0.965 230 D CB -0.416 40.389 40.800 0.009 0.000 0.933 230 D HN 2.789 nan 8.370 nan 0.000 0.507 231 R N -3.152 117.351 120.500 0.005 0.000 3.986 231 R HA -0.216 4.124 4.340 -0.000 0.000 0.379 231 R C 1.317 177.618 176.300 0.001 0.000 0.669 231 R CA 3.155 59.257 56.100 0.004 0.000 1.661 231 R CB -2.744 27.561 30.300 0.008 0.000 2.089 231 R HN 2.336 nan 8.270 nan 0.000 0.432 232 H N -1.265 117.806 119.070 0.002 0.000 2.423 232 H HA 0.896 5.452 4.556 -0.000 0.000 0.237 232 H C 0.989 176.316 175.328 -0.001 0.000 1.391 232 H CA 0.452 56.500 56.048 -0.000 0.000 1.453 232 H CB -0.528 29.235 29.762 0.003 0.000 1.484 232 H HN 1.940 nan 8.280 nan 0.000 0.505 233 I N 1.423 121.989 120.570 -0.007 0.000 2.993 233 I HA 0.448 4.617 4.170 -0.000 0.000 0.301 233 I C 0.283 176.400 176.117 0.000 0.000 1.229 233 I CA -0.390 60.908 61.300 -0.004 0.000 1.435 233 I CB -0.645 37.344 38.000 -0.018 0.000 1.328 233 I HN 0.640 nan 8.210 nan 0.000 0.584 234 P HA 0.187 nan 4.420 nan 0.000 0.226 234 P C 1.441 178.745 177.300 0.006 0.000 1.146 234 P CA 3.303 66.408 63.100 0.008 0.000 0.773 234 P CB -0.468 31.240 31.700 0.012 0.000 0.772 235 A N -3.725 119.096 122.820 0.002 0.000 4.411 235 A HA -0.277 4.042 4.320 -0.000 0.000 0.252 235 A C 2.442 180.029 177.584 0.004 0.000 0.659 235 A CA 2.594 54.630 52.037 -0.001 0.000 1.147 235 A CB -2.352 16.646 19.000 -0.002 0.000 1.142 235 A HN 1.266 nan 8.150 nan 0.000 0.682 236 L N -1.602 119.626 121.223 0.009 0.000 2.187 236 L HA 0.397 4.737 4.340 -0.000 0.000 0.213 236 L C 2.990 179.873 176.870 0.021 0.000 1.100 236 L CA 2.834 57.681 54.840 0.012 0.000 0.765 236 L CB -2.341 39.724 42.059 0.011 0.000 0.904 236 L HN 2.027 nan 8.230 nan 0.000 0.437 237 A N 0.135 122.970 122.820 0.025 0.000 2.194 237 A HA 0.091 4.411 4.320 -0.000 0.000 0.220 237 A C 2.659 180.262 177.584 0.031 0.000 1.162 237 A CA 1.619 53.681 52.037 0.042 0.000 0.674 237 A CB -1.441 17.582 19.000 0.038 0.000 0.789 237 A HN 1.034 nan 8.150 nan 0.000 0.470 238 G N -0.048 108.760 108.800 0.013 0.000 2.721 238 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 238 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 238 G C 1.682 176.596 174.900 0.023 0.000 1.265 238 G CA 2.507 47.611 45.100 0.007 0.000 0.796 238 G HN 0.943 nan 8.290 nan 0.000 0.620 239 K N -0.117 120.299 120.400 0.028 0.000 2.587 239 K HA 0.119 4.439 4.320 -0.000 0.000 0.196 239 K C 2.207 178.847 176.600 0.067 0.000 1.046 239 K CA 1.784 58.094 56.287 0.038 0.000 0.930 239 K CB -0.756 31.763 32.500 0.031 0.000 0.771 239 K HN 0.388 nan 8.250 nan 0.000 0.492 240 V N -0.687 119.277 119.914 0.083 0.000 3.125 240 V HA 0.143 4.262 4.120 -0.000 0.000 0.249 240 V C 1.694 177.879 176.094 0.151 0.000 1.113 240 V CA 0.622 63.002 62.300 0.134 0.000 1.106 240 V CB 0.150 32.108 31.823 0.224 0.000 0.768 240 V HN 0.525 nan 8.190 nan 0.000 0.468 241 L N 0.046 121.328 121.223 0.099 0.000 2.872 241 L HA 0.273 4.612 4.340 -0.000 0.000 0.245 241 L C 2.084 179.020 176.870 0.110 0.000 1.211 241 L CA -0.087 54.809 54.840 0.093 0.000 1.013 241 L CB -0.222 41.842 42.059 0.009 0.000 1.326 241 L HN 0.264 nan 8.230 nan 0.000 0.525 242 R N 0.305 120.875 120.500 0.116 0.000 2.159 242 R HA -0.249 4.091 4.340 -0.000 0.000 0.252 242 R C 1.708 178.031 176.300 0.038 0.000 1.144 242 R CA 1.920 58.053 56.100 0.054 0.000 0.961 242 R CB -0.604 29.719 30.300 0.037 0.000 0.877 242 R HN 0.242 nan 8.270 nan 0.000 0.444 243 F N 0.504 120.461 119.950 0.011 0.000 2.416 243 F HA -0.057 4.470 4.527 -0.000 0.000 0.296 243 F C 2.755 178.583 175.800 0.047 0.000 1.099 243 F CA 0.880 58.886 58.000 0.010 0.000 1.427 243 F CB -0.132 38.853 39.000 -0.026 0.000 1.079 243 F HN -0.026 nan 8.300 nan 0.000 0.536 244 Q N 1.189 121.126 119.800 0.228 0.000 2.079 244 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 244 Q C 1.895 178.013 176.000 0.198 0.000 0.974 244 Q CA 1.762 57.691 55.803 0.209 0.000 0.840 244 Q CB -0.197 28.617 28.738 0.128 0.000 0.898 244 Q HN 0.264 nan 8.270 nan 0.000 0.430 245 K N -0.336 120.128 120.400 0.107 0.000 2.097 245 K HA 0.016 4.336 4.320 -0.000 0.000 0.205 245 K C 2.036 178.653 176.600 0.028 0.000 1.050 245 K CA 1.030 57.349 56.287 0.054 0.000 0.938 245 K CB -0.239 32.272 32.500 0.018 0.000 0.718 245 K HN 0.221 nan 8.250 nan 0.000 0.442 246 A N 1.523 124.350 122.820 0.011 0.000 1.972 246 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 246 A C 1.956 179.565 177.584 0.042 0.000 1.169 246 A CA 1.044 53.059 52.037 -0.036 0.000 0.635 246 A CB -0.586 18.317 19.000 -0.162 0.000 0.810 246 A HN 0.360 nan 8.150 nan 0.000 0.446 247 F N 0.545 120.463 119.950 -0.052 0.000 2.206 247 F HA -0.002 4.524 4.527 -0.001 0.000 0.298 247 F C 1.758 177.520 175.800 -0.062 0.000 1.090 247 F CA 1.010 58.975 58.000 -0.059 0.000 1.323 247 F CB -0.306 38.676 39.000 -0.031 0.000 1.028 247 F HN 0.125 nan 8.300 nan 0.000 0.492 248 L N -0.457 120.663 121.223 -0.171 0.000 2.027 248 L HA -0.210 4.130 4.340 -0.000 0.000 0.206 248 L C 2.325 179.068 176.870 -0.212 0.000 1.074 248 L CA 1.839 56.514 54.840 -0.276 0.000 0.745 248 L CB -1.381 40.618 42.059 -0.099 0.000 0.898 248 L HN 0.075 nan 8.230 nan 0.000 0.433 249 T N -1.097 113.387 114.554 -0.117 0.000 2.759 249 T HA -0.280 4.070 4.350 -0.000 0.000 0.269 249 T C 1.861 176.501 174.700 -0.100 0.000 1.042 249 T CA 1.345 63.391 62.100 -0.089 0.000 1.140 249 T CB -0.154 68.677 68.868 -0.061 0.000 0.864 249 T HN 0.337 nan 8.240 nan 0.000 0.455 250 Q N 0.002 119.732 119.800 -0.118 0.000 2.187 250 Q HA 0.041 4.381 4.340 -0.000 0.000 0.199 250 Q C 2.283 178.203 176.000 -0.134 0.000 0.957 250 Q CA 0.695 56.438 55.803 -0.100 0.000 0.857 250 Q CB -0.120 28.575 28.738 -0.071 0.000 0.929 250 Q HN 0.512 nan 8.270 nan 0.000 0.453 251 L N 0.565 121.640 121.223 -0.247 0.000 2.005 251 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 251 L C 2.279 179.072 176.870 -0.128 0.000 1.072 251 L CA 1.416 56.116 54.840 -0.232 0.000 0.744 251 L CB -0.722 41.105 42.059 -0.387 0.000 0.895 251 L HN 0.256 nan 8.230 nan 0.000 0.433 252 D N 0.607 120.924 120.400 -0.138 0.000 2.263 252 D HA -0.294 4.346 4.640 -0.000 0.000 0.193 252 D C 1.822 178.093 176.300 -0.048 0.000 1.013 252 D CA 2.115 56.062 54.000 -0.089 0.000 0.892 252 D CB 0.103 40.853 40.800 -0.082 0.000 0.909 252 D HN 0.654 nan 8.370 nan 0.000 0.449 253 E N -1.211 118.964 120.200 -0.041 0.000 2.489 253 E HA 0.091 4.441 4.350 -0.000 0.000 0.204 253 E C 2.164 178.773 176.600 0.015 0.000 1.006 253 E CA -0.197 56.197 56.400 -0.010 0.000 0.936 253 E CB -0.242 29.451 29.700 -0.011 0.000 1.002 253 E HN 0.284 nan 8.360 nan 0.000 0.488 254 L N 0.797 122.029 121.223 0.014 0.000 2.131 254 L HA -0.047 4.293 4.340 -0.000 0.000 0.206 254 L C 2.151 179.066 176.870 0.075 0.000 1.087 254 L CA 0.748 55.623 54.840 0.060 0.000 0.767 254 L CB -0.158 41.951 42.059 0.083 0.000 0.917 254 L HN 0.258 nan 8.230 nan 0.000 0.441 255 L N -4.691 116.565 121.223 0.054 0.000 2.446 255 L HA 0.138 4.478 4.340 -0.000 0.000 0.219 255 L C 2.127 179.045 176.870 0.081 0.000 1.116 255 L CA 1.009 55.902 54.840 0.089 0.000 0.844 255 L CB -1.549 40.532 42.059 0.037 0.000 0.970 255 L HN -0.141 nan 8.230 nan 0.000 0.457 256 T N 0.898 115.481 114.554 0.048 0.000 2.867 256 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 256 T C 1.639 176.388 174.700 0.082 0.000 1.057 256 T CA 1.788 63.918 62.100 0.050 0.000 1.136 256 T CB -0.173 68.713 68.868 0.029 0.000 0.874 256 T HN 0.771 nan 8.240 nan 0.000 0.466 257 E N -0.478 119.779 120.200 0.094 0.000 2.371 257 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 257 E C 1.814 178.518 176.600 0.174 0.000 1.012 257 E CA 0.559 57.024 56.400 0.108 0.000 0.860 257 E CB -0.306 29.443 29.700 0.081 0.000 0.811 257 E HN 0.431 nan 8.360 nan 0.000 0.502 258 H N 2.353 121.456 119.070 0.055 0.000 2.423 258 H HA 0.029 4.584 4.556 -0.001 0.000 0.297 258 H C 2.037 177.443 175.328 0.130 0.000 1.075 258 H CA 1.621 57.711 56.048 0.070 0.000 1.342 258 H CB 0.043 29.828 29.762 0.039 0.000 1.395 258 H HN 0.157 nan 8.280 nan 0.000 0.530 259 R N -0.299 120.278 120.500 0.129 0.000 2.148 259 R HA -0.071 4.268 4.340 -0.000 0.000 0.223 259 R C 1.718 178.152 176.300 0.223 0.000 1.088 259 R CA 1.036 57.230 56.100 0.157 0.000 0.985 259 R CB 0.088 30.458 30.300 0.117 0.000 0.880 259 R HN 0.254 nan 8.270 nan 0.000 0.451 260 M N -0.141 119.554 119.600 0.159 0.000 2.086 260 M HA -0.085 4.394 4.480 -0.000 0.000 0.261 260 M C 2.031 178.406 176.300 0.125 0.000 1.067 260 M CA 1.716 57.089 55.300 0.121 0.000 1.116 260 M CB -1.303 31.353 32.600 0.093 0.000 1.348 260 M HN 0.022 nan 8.290 nan 0.000 0.407 261 T N -0.173 114.482 114.554 0.168 0.000 2.759 261 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 261 T C 0.195 174.996 174.700 0.168 0.000 1.042 261 T CA 0.770 62.975 62.100 0.176 0.000 1.140 261 T CB -0.336 68.698 68.868 0.277 0.000 0.864 261 T HN 0.540 nan 8.240 nan 0.000 0.455 262 W N 3.474 124.759 121.300 -0.024 0.000 2.253 262 W HA 0.301 4.961 4.660 -0.001 0.000 0.322 262 W C -0.551 175.953 176.519 -0.026 0.000 1.342 262 W CA -1.389 55.916 57.345 -0.066 0.000 1.218 262 W CB 0.281 29.640 29.460 -0.169 0.000 1.205 262 W HN -0.122 nan 8.180 nan 0.000 0.551 263 D N 8.652 128.725 120.400 -0.546 0.000 2.428 263 D HA 0.161 4.801 4.640 -0.000 0.000 0.221 263 D C -1.217 174.464 176.300 -1.032 0.000 1.123 263 D CA -2.103 51.532 54.000 -0.608 0.000 0.869 263 D CB 1.553 42.209 40.800 -0.240 0.000 1.032 263 D HN 0.244 nan 8.370 nan 0.000 0.506 264 P HA -0.055 nan 4.420 nan 0.000 0.222 264 P C 0.434 177.494 177.300 -0.399 0.000 1.147 264 P CA 0.445 62.821 63.100 -1.207 0.000 0.790 264 P CB 0.303 31.427 31.700 -0.960 0.000 0.780 265 A N -0.555 122.083 122.820 -0.304 0.000 2.833 265 A HA 0.258 4.578 4.320 -0.000 0.000 0.293 265 A C 0.475 178.008 177.584 -0.086 0.000 1.338 265 A CA -0.070 51.881 52.037 -0.143 0.000 0.959 265 A CB -0.311 18.613 19.000 -0.125 0.000 1.094 265 A HN 0.094 nan 8.150 nan 0.000 0.569 266 Q N 0.436 120.201 119.800 -0.059 0.000 2.482 266 Q HA 0.318 4.658 4.340 -0.000 0.000 0.286 266 Q C -2.955 173.089 176.000 0.072 0.000 1.007 266 Q CA -1.915 53.888 55.803 0.001 0.000 0.801 266 Q CB 2.741 31.473 28.738 -0.010 0.000 1.455 266 Q HN 0.214 nan 8.270 nan 0.000 0.398 267 P HA 0.131 nan 4.420 nan 0.000 0.265 267 P C -2.484 174.905 177.300 0.148 0.000 1.222 267 P CA -0.845 62.313 63.100 0.098 0.000 0.767 267 P CB -0.473 31.266 31.700 0.065 0.000 0.801 268 P HA -0.022 nan 4.420 nan 0.000 0.264 268 P C 0.950 178.368 177.300 0.195 0.000 1.173 268 P CA 0.267 63.505 63.100 0.230 0.000 0.761 268 P CB 0.425 32.238 31.700 0.188 0.000 0.794 269 R N 1.651 122.292 120.500 0.235 0.000 2.373 269 R HA 0.081 4.421 4.340 -0.000 0.000 0.221 269 R C -0.182 176.333 176.300 0.358 0.000 0.893 269 R CA 0.649 56.904 56.100 0.259 0.000 1.049 269 R CB 0.332 30.789 30.300 0.262 0.000 1.119 269 R HN 0.702 nan 8.270 nan 0.000 0.535 270 D N -2.422 118.171 120.400 0.321 0.000 2.759 270 D HA 0.004 4.644 4.640 -0.000 0.000 0.321 270 D C 0.656 177.108 176.300 0.253 0.000 1.267 270 D CA -0.719 53.495 54.000 0.355 0.000 0.933 270 D CB 0.324 41.285 40.800 0.269 0.000 1.431 270 D HN -0.142 nan 8.370 nan 0.000 0.504 271 L N -0.401 120.965 121.223 0.239 0.000 2.046 271 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 271 L C 1.750 178.815 176.870 0.325 0.000 1.077 271 L CA 2.023 57.011 54.840 0.247 0.000 0.747 271 L CB -0.506 41.678 42.059 0.207 0.000 0.896 271 L HN 0.614 nan 8.230 nan 0.000 0.432 272 T N -0.606 114.080 114.554 0.220 0.000 2.708 272 T HA -0.194 4.155 4.350 -0.000 0.000 0.266 272 T C 1.662 176.338 174.700 -0.040 0.000 1.037 272 T CA 1.673 63.845 62.100 0.120 0.000 1.146 272 T CB -0.260 68.700 68.868 0.153 0.000 0.865 272 T HN 0.461 nan 8.240 nan 0.000 0.435 273 E N 1.307 121.438 120.200 -0.114 0.000 2.051 273 E HA -0.095 4.254 4.350 -0.000 0.000 0.192 273 E C 2.689 179.172 176.600 -0.196 0.000 0.991 273 E CA 1.123 57.295 56.400 -0.380 0.000 0.799 273 E CB -0.315 29.337 29.700 -0.080 0.000 0.748 273 E HN 0.508 nan 8.360 nan 0.000 0.449 274 A N 1.148 124.025 122.820 0.095 0.000 1.940 274 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 274 A C 1.988 179.710 177.584 0.229 0.000 1.176 274 A CA 1.194 53.361 52.037 0.216 0.000 0.631 274 A CB -0.804 18.377 19.000 0.301 0.000 0.814 274 A HN 0.271 nan 8.150 nan 0.000 0.446 275 F N 0.414 120.448 119.950 0.140 0.000 2.075 275 F HA -0.163 4.364 4.527 -0.000 0.000 0.297 275 F C 2.045 177.675 175.800 -0.284 0.000 1.113 275 F CA 1.944 59.841 58.000 -0.171 0.000 1.218 275 F CB -0.242 38.702 39.000 -0.094 0.000 0.984 275 F HN 0.147 nan 8.300 nan 0.000 0.472 276 L N -0.159 120.976 121.223 -0.147 0.000 2.043 276 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 276 L C 2.750 179.382 176.870 -0.398 0.000 1.075 276 L CA 1.232 55.808 54.840 -0.440 0.000 0.752 276 L CB -1.280 40.090 42.059 -1.149 0.000 0.891 276 L HN 0.257 nan 8.230 nan 0.000 0.432 277 A N -0.037 122.598 122.820 -0.308 0.000 1.877 277 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 277 A C 2.210 179.680 177.584 -0.190 0.000 1.186 277 A CA 1.924 53.942 52.037 -0.032 0.000 0.620 277 A CB -0.535 18.513 19.000 0.080 0.000 0.822 277 A HN 0.378 nan 8.150 nan 0.000 0.443 278 E N -0.760 119.192 120.200 -0.414 0.000 2.265 278 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 278 E C 1.842 177.990 176.600 -0.753 0.000 0.996 278 E CA 1.319 57.256 56.400 -0.771 0.000 0.832 278 E CB -0.279 28.564 29.700 -1.430 0.000 0.756 278 E HN 0.648 nan 8.360 nan 0.000 0.491 279 M N -0.384 118.920 119.600 -0.494 0.000 2.160 279 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 279 M C 2.012 178.239 176.300 -0.121 0.000 1.073 279 M CA 1.678 56.835 55.300 -0.238 0.000 1.142 279 M CB -0.063 32.482 32.600 -0.091 0.000 1.358 279 M HN 0.010 nan 8.290 nan 0.000 0.422 280 E N 1.082 121.239 120.200 -0.070 0.000 2.072 280 E HA -0.296 4.053 4.350 -0.000 0.000 0.218 280 E C 1.556 178.124 176.600 -0.053 0.000 1.051 280 E CA 2.678 59.072 56.400 -0.010 0.000 0.880 280 E CB -0.275 29.465 29.700 0.067 0.000 0.783 280 E HN 0.501 nan 8.360 nan 0.000 0.473 281 K N -0.474 119.865 120.400 -0.101 0.000 2.218 281 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 281 K C 1.811 178.353 176.600 -0.096 0.000 1.046 281 K CA 1.186 57.412 56.287 -0.101 0.000 0.933 281 K CB -0.137 32.283 32.500 -0.134 0.000 0.728 281 K HN 0.256 nan 8.250 nan 0.000 0.454 282 A N 1.178 123.926 122.820 -0.119 0.000 2.345 282 A HA 0.023 4.343 4.320 -0.000 0.000 0.225 282 A C 1.442 179.009 177.584 -0.029 0.000 1.243 282 A CA -0.075 51.921 52.037 -0.069 0.000 0.875 282 A CB -0.008 18.957 19.000 -0.058 0.000 0.929 282 A HN 0.052 nan 8.150 nan 0.000 0.502 283 K N 0.646 121.030 120.400 -0.027 0.000 2.611 283 K HA -0.019 4.301 4.320 -0.000 0.000 0.193 283 K C 1.291 177.889 176.600 -0.004 0.000 1.026 283 K CA 0.657 56.940 56.287 -0.007 0.000 1.063 283 K CB -0.358 32.143 32.500 0.001 0.000 0.839 283 K HN 0.460 nan 8.250 nan 0.000 0.505 284 G N 0.889 109.684 108.800 -0.009 0.000 2.695 284 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 284 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 284 G C 0.368 175.267 174.900 -0.001 0.000 1.295 284 G CA -0.366 44.731 45.100 -0.005 0.000 0.882 284 G HN 0.328 nan 8.290 nan 0.000 0.570 285 N N 2.264 120.963 118.700 -0.002 0.000 2.047 285 N HA -0.053 4.687 4.740 -0.000 0.000 0.292 285 N C -0.928 174.585 175.510 0.006 0.000 1.356 285 N CA -0.485 52.567 53.050 0.003 0.000 0.836 285 N CB 1.339 39.828 38.487 0.005 0.000 1.113 285 N HN 0.083 nan 8.380 nan 0.000 0.495 286 P HA -0.086 nan 4.420 nan 0.000 0.219 286 P C 0.005 177.309 177.300 0.006 0.000 1.150 286 P CA 1.192 64.296 63.100 0.006 0.000 0.814 286 P CB 0.545 32.249 31.700 0.005 0.000 0.787 287 E N -0.127 120.076 120.200 0.005 0.000 4.034 287 E HA 0.378 4.727 4.350 -0.000 0.000 0.297 287 E C -0.200 176.403 176.600 0.006 0.000 1.372 287 E CA -0.480 55.921 56.400 0.002 0.000 1.555 287 E CB 0.176 29.876 29.700 0.000 0.000 1.488 287 E HN 0.033 nan 8.360 nan 0.000 0.782 288 S N -0.915 114.784 115.700 -0.001 0.000 2.915 288 S HA -0.117 4.353 4.470 -0.000 0.000 0.856 288 S C 0.140 174.720 174.600 -0.034 0.000 0.921 288 S CA 0.348 58.553 58.200 0.009 0.000 1.422 288 S CB -1.196 62.040 63.200 0.060 0.000 1.018 288 S HN 0.702 nan 8.310 nan 0.000 0.230 289 S N 3.259 118.873 115.700 -0.143 0.000 2.634 289 S HA 0.315 4.785 4.470 -0.000 0.000 0.221 289 S C 0.212 174.618 174.600 -0.323 0.000 0.952 289 S CA -0.172 57.887 58.200 -0.236 0.000 0.930 289 S CB -0.512 62.505 63.200 -0.305 0.000 0.780 289 S HN 0.636 nan 8.310 nan 0.000 0.498 290 F N 4.004 123.849 119.950 -0.175 0.000 2.573 290 F HA 0.405 4.932 4.527 -0.001 0.000 0.349 290 F C 0.587 176.359 175.800 -0.047 0.000 1.213 290 F CA -0.829 56.988 58.000 -0.305 0.000 1.300 290 F CB -0.063 38.593 39.000 -0.575 0.000 1.661 290 F HN 0.220 nan 8.300 nan 0.000 0.616 291 N N 0.466 119.288 118.700 0.204 0.000 2.525 291 N HA 0.202 4.942 4.740 -0.000 0.000 0.288 291 N C 0.260 175.875 175.510 0.176 0.000 1.242 291 N CA -0.619 52.518 53.050 0.145 0.000 0.905 291 N CB 0.769 39.287 38.487 0.052 0.000 1.258 291 N HN 0.146 nan 8.380 nan 0.000 0.551 292 D N 0.469 120.913 120.400 0.073 0.000 2.117 292 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 292 D C 1.297 177.565 176.300 -0.053 0.000 0.982 292 D CA 1.167 55.169 54.000 0.002 0.000 0.828 292 D CB 0.081 40.881 40.800 -0.000 0.000 0.967 292 D HN 0.504 nan 8.370 nan 0.000 0.464 293 E N 0.543 120.722 120.200 -0.035 0.000 2.086 293 E HA -0.270 4.080 4.350 -0.000 0.000 0.205 293 E C 1.785 178.314 176.600 -0.117 0.000 1.027 293 E CA 1.054 57.416 56.400 -0.064 0.000 0.830 293 E CB -0.437 29.236 29.700 -0.045 0.000 0.751 293 E HN 0.462 nan 8.360 nan 0.000 0.456 294 N N -0.024 118.617 118.700 -0.099 0.000 2.376 294 N HA -0.100 4.640 4.740 -0.000 0.000 0.177 294 N C 1.987 177.336 175.510 -0.269 0.000 1.024 294 N CA 0.018 52.981 53.050 -0.145 0.000 0.893 294 N CB 0.100 38.554 38.487 -0.056 0.000 0.980 294 N HN -0.021 nan 8.380 nan 0.000 0.439 295 L N 2.675 123.642 121.223 -0.426 0.000 1.971 295 L HA -0.216 4.123 4.340 -0.000 0.000 0.215 295 L C 2.313 178.903 176.870 -0.467 0.000 1.072 295 L CA 1.820 56.128 54.840 -0.887 0.000 0.758 295 L CB -0.676 40.896 42.059 -0.812 0.000 0.889 295 L HN 0.170 nan 8.230 nan 0.000 0.433 296 R N -0.440 119.888 120.500 -0.288 0.000 2.120 296 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 296 R C 2.141 178.345 176.300 -0.161 0.000 1.123 296 R CA 1.985 57.964 56.100 -0.202 0.000 0.975 296 R CB -1.034 29.163 30.300 -0.172 0.000 0.866 296 R HN 0.502 nan 8.270 nan 0.000 0.446 297 I N 1.084 121.557 120.570 -0.162 0.000 2.353 297 I HA -0.176 3.993 4.170 -0.000 0.000 0.248 297 I C 2.207 178.299 176.117 -0.042 0.000 1.119 297 I CA 0.763 61.999 61.300 -0.106 0.000 1.417 297 I CB -0.273 37.574 38.000 -0.255 0.000 1.078 297 I HN -0.033 nan 8.210 nan 0.000 0.421 298 V N 0.793 120.653 119.914 -0.090 0.000 2.287 298 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 298 V C 2.507 178.639 176.094 0.064 0.000 1.053 298 V CA 1.671 63.969 62.300 -0.004 0.000 1.027 298 V CB -0.422 31.382 31.823 -0.031 0.000 0.646 298 V HN 0.247 nan 8.190 nan 0.000 0.447 299 V N 0.199 120.127 119.914 0.024 0.000 2.307 299 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 299 V C 2.722 178.981 176.094 0.276 0.000 1.045 299 V CA 1.855 64.240 62.300 0.141 0.000 1.024 299 V CB -1.212 30.672 31.823 0.101 0.000 0.651 299 V HN 0.552 nan 8.190 nan 0.000 0.449 300 A N 0.175 123.080 122.820 0.141 0.000 1.892 300 A HA -0.319 4.000 4.320 -0.000 0.000 0.218 300 A C 1.972 179.770 177.584 0.356 0.000 1.188 300 A CA 2.416 54.581 52.037 0.214 0.000 0.631 300 A CB -0.776 18.256 19.000 0.053 0.000 0.822 300 A HN 0.543 nan 8.150 nan 0.000 0.447 301 D N -0.111 120.432 120.400 0.239 0.000 2.092 301 D HA -0.125 4.515 4.640 -0.000 0.000 0.193 301 D C 1.945 178.367 176.300 0.203 0.000 0.994 301 D CA 1.179 55.303 54.000 0.207 0.000 0.828 301 D CB -0.398 40.542 40.800 0.233 0.000 0.963 301 D HN 0.445 nan 8.370 nan 0.000 0.450 302 L N -0.534 120.816 121.223 0.212 0.000 2.042 302 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 302 L C 2.353 179.307 176.870 0.139 0.000 1.076 302 L CA 0.837 55.770 54.840 0.155 0.000 0.749 302 L CB -0.375 41.745 42.059 0.101 0.000 0.893 302 L HN -0.000 nan 8.230 nan 0.000 0.432 303 F N 0.302 120.360 119.950 0.179 0.000 2.075 303 F HA -0.261 4.266 4.527 -0.000 0.000 0.297 303 F C 2.876 178.749 175.800 0.122 0.000 1.113 303 F CA 1.928 60.049 58.000 0.202 0.000 1.218 303 F CB -0.501 38.710 39.000 0.352 0.000 0.984 303 F HN 0.109 nan 8.300 nan 0.000 0.472 304 S N 0.259 116.141 115.700 0.304 0.000 2.335 304 S HA -0.158 4.312 4.470 -0.000 0.000 0.216 304 S C 2.312 176.924 174.600 0.020 0.000 1.032 304 S CA 0.748 58.998 58.200 0.085 0.000 1.000 304 S CB -1.370 61.829 63.200 -0.002 0.000 0.928 304 S HN 0.311 nan 8.310 nan 0.000 0.434 305 A N 2.064 124.866 122.820 -0.029 0.000 1.958 305 A HA 0.020 4.340 4.320 -0.000 0.000 0.221 305 A C 2.279 179.923 177.584 0.099 0.000 1.178 305 A CA 2.044 54.076 52.037 -0.008 0.000 0.642 305 A CB -1.673 17.369 19.000 0.069 0.000 0.816 305 A HN 0.637 nan 8.150 nan 0.000 0.453 306 G N -1.128 107.740 108.800 0.112 0.000 2.439 306 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.212 306 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.212 306 G C 1.660 176.631 174.900 0.118 0.000 1.199 306 G CA 0.939 46.111 45.100 0.120 0.000 0.807 306 G HN 0.533 nan 8.290 nan 0.000 0.537 307 M N 0.541 120.209 119.600 0.113 0.000 2.084 307 M HA -0.078 4.402 4.480 -0.000 0.000 0.259 307 M C 2.463 178.816 176.300 0.087 0.000 1.072 307 M CA 2.203 57.571 55.300 0.114 0.000 1.107 307 M CB -0.479 32.210 32.600 0.149 0.000 1.299 307 M HN 0.078 nan 8.290 nan 0.000 0.413 308 V N 1.043 120.997 119.914 0.067 0.000 2.343 308 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 308 V C 2.472 178.614 176.094 0.079 0.000 1.051 308 V CA 2.827 65.156 62.300 0.049 0.000 1.036 308 V CB -0.913 30.922 31.823 0.021 0.000 0.654 308 V HN 0.899 nan 8.190 nan 0.000 0.451 309 T N -2.328 112.286 114.554 0.100 0.000 2.674 309 T HA -0.215 4.134 4.350 -0.000 0.000 0.265 309 T C 1.839 176.617 174.700 0.131 0.000 1.039 309 T CA 2.220 64.391 62.100 0.118 0.000 1.150 309 T CB -1.215 67.734 68.868 0.136 0.000 0.864 309 T HN 0.537 nan 8.240 nan 0.000 0.427 310 T N 1.753 116.395 114.554 0.147 0.000 2.777 310 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 310 T C 2.341 177.121 174.700 0.132 0.000 1.040 310 T CA 1.387 63.587 62.100 0.167 0.000 1.141 310 T CB -0.662 68.325 68.868 0.199 0.000 0.868 310 T HN 0.502 nan 8.240 nan 0.000 0.444 311 S N 0.916 116.671 115.700 0.091 0.000 2.356 311 S HA -0.165 4.305 4.470 -0.000 0.000 0.223 311 S C 2.199 176.839 174.600 0.067 0.000 1.032 311 S CA 1.951 60.178 58.200 0.045 0.000 1.005 311 S CB -0.856 62.352 63.200 0.013 0.000 0.867 311 S HN 0.588 nan 8.310 nan 0.000 0.449 312 T N 1.341 115.953 114.554 0.097 0.000 2.777 312 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 312 T C 1.951 176.810 174.700 0.265 0.000 1.040 312 T CA 1.790 63.972 62.100 0.136 0.000 1.141 312 T CB -1.099 67.873 68.868 0.174 0.000 0.868 312 T HN 0.500 nan 8.240 nan 0.000 0.444 313 T N 2.934 117.647 114.554 0.265 0.000 2.607 313 T HA -0.083 4.266 4.350 -0.000 0.000 0.267 313 T C 1.996 176.844 174.700 0.247 0.000 1.049 313 T CA 1.227 63.491 62.100 0.273 0.000 1.162 313 T CB -0.716 68.245 68.868 0.155 0.000 0.863 313 T HN 0.257 nan 8.240 nan 0.000 0.424 314 L N 0.812 122.145 121.223 0.183 0.000 2.043 314 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 314 L C 3.072 180.040 176.870 0.162 0.000 1.075 314 L CA 1.370 56.319 54.840 0.180 0.000 0.752 314 L CB -0.795 41.340 42.059 0.127 0.000 0.891 314 L HN 0.275 nan 8.230 nan 0.000 0.432 315 A N -0.544 122.345 122.820 0.116 0.000 1.908 315 A HA -0.252 4.067 4.320 -0.000 0.000 0.218 315 A C 1.943 179.573 177.584 0.077 0.000 1.181 315 A CA 1.743 53.831 52.037 0.085 0.000 0.627 315 A CB -1.070 17.910 19.000 -0.032 0.000 0.818 315 A HN 0.524 nan 8.150 nan 0.000 0.445 316 W N -0.247 121.111 121.300 0.097 0.000 2.338 316 W HA -0.061 4.599 4.660 -0.000 0.000 0.304 316 W C 2.563 179.073 176.519 -0.014 0.000 1.212 316 W CA 1.236 58.609 57.345 0.047 0.000 1.264 316 W CB -0.562 28.942 29.460 0.073 0.000 1.142 316 W HN 0.405 nan 8.180 nan 0.000 0.512 317 G N 0.403 109.355 108.800 0.253 0.000 2.459 317 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 317 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 317 G C 1.419 176.449 174.900 0.217 0.000 1.183 317 G CA 1.302 46.537 45.100 0.225 0.000 0.776 317 G HN 0.190 nan 8.290 nan 0.000 0.552 318 L N -0.085 121.201 121.223 0.105 0.000 2.083 318 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 318 L C 2.730 179.476 176.870 -0.207 0.000 1.083 318 L CA 0.779 55.553 54.840 -0.109 0.000 0.752 318 L CB -0.531 41.438 42.059 -0.149 0.000 0.899 318 L HN 0.278 nan 8.230 nan 0.000 0.433 319 L N -0.070 120.943 121.223 -0.351 0.000 2.046 319 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 319 L C 2.276 178.893 176.870 -0.422 0.000 1.077 319 L CA 1.691 56.076 54.840 -0.759 0.000 0.747 319 L CB -0.361 41.056 42.059 -1.070 0.000 0.896 319 L HN 0.087 nan 8.230 nan 0.000 0.432 320 L N -1.239 119.821 121.223 -0.272 0.000 2.201 320 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 320 L C 2.419 179.149 176.870 -0.233 0.000 1.105 320 L CA 0.541 55.165 54.840 -0.360 0.000 0.775 320 L CB -0.477 41.191 42.059 -0.650 0.000 0.913 320 L HN 0.333 nan 8.230 nan 0.000 0.440 321 M N -0.042 119.505 119.600 -0.090 0.000 2.099 321 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 321 M C 2.407 178.721 176.300 0.022 0.000 1.067 321 M CA 1.713 57.041 55.300 0.047 0.000 1.124 321 M CB -0.912 31.743 32.600 0.092 0.000 1.353 321 M HN 0.322 nan 8.290 nan 0.000 0.410 322 I N -2.561 117.977 120.570 -0.053 0.000 2.676 322 I HA -0.163 4.007 4.170 -0.000 0.000 0.259 322 I C 1.794 177.829 176.117 -0.135 0.000 1.194 322 I CA 1.097 62.368 61.300 -0.048 0.000 1.473 322 I CB -0.326 37.644 38.000 -0.050 0.000 1.096 322 I HN 0.100 nan 8.210 nan 0.000 0.443 323 L N 0.719 121.791 121.223 -0.252 0.000 2.446 323 L HA 0.178 4.518 4.340 -0.000 0.000 0.219 323 L C 0.619 177.130 176.870 -0.599 0.000 1.116 323 L CA 1.105 55.688 54.840 -0.428 0.000 0.844 323 L CB -0.618 41.118 42.059 -0.537 0.000 0.970 323 L HN 0.327 nan 8.230 nan 0.000 0.457 324 H N -0.677 118.376 119.070 -0.028 0.000 2.429 324 H HA 0.298 4.853 4.556 -0.000 0.000 0.231 324 H C -1.785 173.604 175.328 0.102 0.000 1.416 324 H CA -1.453 54.633 56.048 0.062 0.000 1.443 324 H CB 0.711 30.553 29.762 0.134 0.000 1.591 324 H HN 0.065 nan 8.280 nan 0.000 0.507 325 P HA -0.180 nan 4.420 nan 0.000 0.219 325 P C 1.170 178.564 177.300 0.157 0.000 1.146 325 P CA 1.038 64.220 63.100 0.136 0.000 0.808 325 P CB 0.487 32.240 31.700 0.089 0.000 0.779 326 D N 0.586 121.086 120.400 0.166 0.000 2.204 326 D HA -0.172 4.468 4.640 -0.000 0.000 0.189 326 D C 1.922 178.335 176.300 0.188 0.000 1.006 326 D CA 1.389 55.483 54.000 0.157 0.000 0.855 326 D CB -1.318 39.576 40.800 0.157 0.000 0.946 326 D HN 0.088 nan 8.370 nan 0.000 0.448 327 V N 1.058 121.135 119.914 0.271 0.000 2.427 327 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 327 V C 2.876 179.180 176.094 0.350 0.000 1.051 327 V CA 1.738 64.257 62.300 0.364 0.000 1.048 327 V CB -0.766 31.330 31.823 0.455 0.000 0.666 327 V HN 0.241 nan 8.190 nan 0.000 0.456 328 Q N 0.182 120.150 119.800 0.281 0.000 2.030 328 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 328 Q C 2.516 178.633 176.000 0.196 0.000 0.986 328 Q CA 2.084 58.033 55.803 0.243 0.000 0.843 328 Q CB -0.072 28.790 28.738 0.207 0.000 0.904 328 Q HN 0.571 nan 8.270 nan 0.000 0.420 329 R N -0.219 120.370 120.500 0.150 0.000 2.096 329 R HA -0.151 4.189 4.340 -0.000 0.000 0.240 329 R C 2.456 178.806 176.300 0.083 0.000 1.139 329 R CA 1.815 57.974 56.100 0.098 0.000 0.952 329 R CB -0.313 30.028 30.300 0.070 0.000 0.854 329 R HN 0.271 nan 8.270 nan 0.000 0.436 330 R N 0.275 120.822 120.500 0.079 0.000 2.096 330 R HA -0.091 4.248 4.340 -0.000 0.000 0.235 330 R C 2.312 178.660 176.300 0.081 0.000 1.127 330 R CA 1.479 57.558 56.100 -0.036 0.000 0.968 330 R CB -0.494 29.648 30.300 -0.262 0.000 0.861 330 R HN 0.104 nan 8.270 nan 0.000 0.440 331 V N 1.326 121.419 119.914 0.298 0.000 2.407 331 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 331 V C 2.239 178.451 176.094 0.196 0.000 1.055 331 V CA 1.755 64.268 62.300 0.355 0.000 1.049 331 V CB -0.493 31.566 31.823 0.394 0.000 0.662 331 V HN 0.351 nan 8.190 nan 0.000 0.455 332 Q N -1.108 118.773 119.800 0.135 0.000 2.096 332 Q HA -0.163 4.176 4.340 -0.000 0.000 0.197 332 Q C 2.492 178.524 176.000 0.054 0.000 0.964 332 Q CA 0.947 56.797 55.803 0.079 0.000 0.838 332 Q CB -0.201 28.574 28.738 0.062 0.000 0.906 332 Q HN 0.495 nan 8.270 nan 0.000 0.444 333 Q N 0.998 120.824 119.800 0.045 0.000 2.062 333 Q HA -0.271 4.068 4.340 -0.000 0.000 0.209 333 Q C 1.819 177.839 176.000 0.033 0.000 0.996 333 Q CA 1.758 57.573 55.803 0.020 0.000 0.859 333 Q CB -0.181 28.551 28.738 -0.011 0.000 0.920 333 Q HN 0.450 nan 8.270 nan 0.000 0.415 334 E N -0.310 119.928 120.200 0.063 0.000 2.110 334 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 334 E C 2.177 178.835 176.600 0.097 0.000 0.988 334 E CA 0.676 57.132 56.400 0.094 0.000 0.804 334 E CB -0.081 29.716 29.700 0.162 0.000 0.745 334 E HN 0.343 nan 8.360 nan 0.000 0.458 335 I N 1.564 122.189 120.570 0.093 0.000 2.163 335 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 335 I C 1.766 177.904 176.117 0.035 0.000 1.085 335 I CA 1.377 62.718 61.300 0.068 0.000 1.347 335 I CB -0.350 37.676 38.000 0.043 0.000 1.044 335 I HN 0.152 nan 8.210 nan 0.000 0.408 336 D N 0.532 120.944 120.400 0.019 0.000 2.219 336 D HA -0.153 4.487 4.640 -0.000 0.000 0.205 336 D C 1.658 177.962 176.300 0.006 0.000 0.970 336 D CA 1.194 55.194 54.000 -0.001 0.000 0.851 336 D CB -0.338 40.457 40.800 -0.008 0.000 0.943 336 D HN 0.368 nan 8.370 nan 0.000 0.488 337 D N -0.519 119.893 120.400 0.021 0.000 2.123 337 D HA -0.067 4.573 4.640 -0.000 0.000 0.200 337 D C 2.119 178.431 176.300 0.021 0.000 0.976 337 D CA 0.548 54.559 54.000 0.019 0.000 0.831 337 D CB 0.388 41.205 40.800 0.028 0.000 0.974 337 D HN 0.024 nan 8.370 nan 0.000 0.469 338 V N -0.125 119.815 119.914 0.043 0.000 2.581 338 V HA 0.045 4.165 4.120 -0.000 0.000 0.240 338 V C 1.980 178.097 176.094 0.038 0.000 1.054 338 V CA 0.741 63.070 62.300 0.048 0.000 1.076 338 V CB -0.032 31.855 31.823 0.106 0.000 0.748 338 V HN 0.137 nan 8.190 nan 0.000 0.474 339 I N -0.461 120.137 120.570 0.046 0.000 2.731 339 I HA 0.468 4.638 4.170 -0.000 0.000 0.260 339 I C 1.374 177.492 176.117 0.002 0.000 1.138 339 I CA 0.999 62.320 61.300 0.034 0.000 1.461 339 I CB -0.265 37.760 38.000 0.040 0.000 1.128 339 I HN 0.467 nan 8.210 nan 0.000 0.438 340 G N 0.981 109.776 108.800 -0.009 0.000 2.587 340 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.212 340 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.212 340 G C -0.015 174.851 174.900 -0.058 0.000 1.327 340 G CA 0.080 45.162 45.100 -0.029 0.000 0.898 340 G HN 0.197 nan 8.290 nan 0.000 0.551 341 Q N -1.470 118.288 119.800 -0.071 0.000 2.189 341 Q HA 0.569 4.909 4.340 -0.000 0.000 0.223 341 Q C 2.038 177.969 176.000 -0.115 0.000 0.828 341 Q CA 1.270 57.004 55.803 -0.116 0.000 0.967 341 Q CB 0.852 29.528 28.738 -0.102 0.000 1.139 341 Q HN 0.621 nan 8.270 nan 0.000 0.497 342 V N -0.075 119.796 119.914 -0.072 0.000 2.599 342 V HA 0.160 4.280 4.120 -0.000 0.000 0.237 342 V C 0.727 176.800 176.094 -0.035 0.000 1.081 342 V CA 0.765 63.035 62.300 -0.050 0.000 1.107 342 V CB 0.023 31.828 31.823 -0.030 0.000 0.808 342 V HN 0.264 nan 8.190 nan 0.000 0.486 343 R N 0.980 121.466 120.500 -0.023 0.000 2.560 343 R HA 0.476 4.816 4.340 -0.000 0.000 0.270 343 R C -0.245 176.057 176.300 0.003 0.000 1.074 343 R CA -0.635 55.463 56.100 -0.003 0.000 1.140 343 R CB 0.586 30.889 30.300 0.005 0.000 1.073 343 R HN 0.163 nan 8.270 nan 0.000 0.527 344 R N 1.410 121.924 120.500 0.024 0.000 2.389 344 R HA 0.162 4.501 4.340 -0.000 0.000 0.295 344 R C -2.101 174.221 176.300 0.037 0.000 1.075 344 R CA -1.593 54.530 56.100 0.039 0.000 1.005 344 R CB 0.346 30.674 30.300 0.048 0.000 0.987 344 R HN 0.464 nan 8.270 nan 0.000 0.452 345 P HA -0.140 nan 4.420 nan 0.000 0.261 345 P C -0.778 176.575 177.300 0.089 0.000 1.173 345 P CA 0.657 63.783 63.100 0.044 0.000 0.760 345 P CB 0.454 32.120 31.700 -0.058 0.000 0.783 346 E N 2.682 122.980 120.200 0.164 0.000 2.359 346 E HA 0.317 4.667 4.350 -0.000 0.000 0.266 346 E C 0.440 177.198 176.600 0.263 0.000 0.920 346 E CA -0.878 55.621 56.400 0.165 0.000 0.788 346 E CB 0.814 30.567 29.700 0.089 0.000 1.279 346 E HN 0.012 nan 8.360 nan 0.000 0.438 347 M N 1.876 121.580 119.600 0.173 0.000 2.089 347 M HA -0.116 4.364 4.480 -0.000 0.000 0.257 347 M C 1.875 178.156 176.300 -0.031 0.000 1.071 347 M CA 2.682 58.022 55.300 0.068 0.000 1.096 347 M CB -1.104 31.502 32.600 0.010 0.000 1.330 347 M HN 0.891 nan 8.290 nan 0.000 0.403 348 G N -0.664 108.147 108.800 0.018 0.000 2.517 348 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.222 348 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.222 348 G C 1.151 176.086 174.900 0.058 0.000 1.109 348 G CA 1.391 46.503 45.100 0.020 0.000 0.746 348 G HN 0.502 nan 8.290 nan 0.000 0.576 349 D N -0.115 120.358 120.400 0.121 0.000 2.264 349 D HA -0.078 4.562 4.640 -0.000 0.000 0.208 349 D C 2.365 178.710 176.300 0.075 0.000 0.966 349 D CA 1.131 55.255 54.000 0.207 0.000 0.864 349 D CB -0.200 40.794 40.800 0.322 0.000 0.933 349 D HN 0.483 nan 8.370 nan 0.000 0.499 350 Q N 1.484 121.113 119.800 -0.286 0.000 2.030 350 Q HA -0.163 4.176 4.340 -0.000 0.000 0.204 350 Q C 2.019 177.822 176.000 -0.330 0.000 0.986 350 Q CA 2.320 57.722 55.803 -0.668 0.000 0.843 350 Q CB -0.469 27.676 28.738 -0.988 0.000 0.904 350 Q HN 0.155 nan 8.270 nan 0.000 0.420 351 A N 0.016 122.662 122.820 -0.291 0.000 1.986 351 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 351 A C 1.473 178.862 177.584 -0.325 0.000 1.171 351 A CA 1.769 53.614 52.037 -0.319 0.000 0.640 351 A CB -0.861 17.901 19.000 -0.396 0.000 0.811 351 A HN 0.660 nan 8.150 nan 0.000 0.451 352 H N -2.006 117.055 119.070 -0.014 0.000 2.517 352 H HA 0.329 4.885 4.556 -0.000 0.000 0.282 352 H C -0.191 175.178 175.328 0.069 0.000 1.023 352 H CA 0.197 56.266 56.048 0.036 0.000 1.169 352 H CB 0.034 29.821 29.762 0.042 0.000 1.454 352 H HN 0.457 nan 8.280 nan 0.000 0.556 353 M N 1.131 120.805 119.600 0.124 0.000 2.488 353 M HA 0.208 4.688 4.480 -0.000 0.000 0.204 353 M C -2.071 174.296 176.300 0.112 0.000 0.969 353 M CA -1.679 53.718 55.300 0.161 0.000 0.720 353 M CB 1.934 34.678 32.600 0.241 0.000 1.427 353 M HN -0.145 nan 8.290 nan 0.000 0.427 354 P HA -0.201 nan 4.420 nan 0.000 0.214 354 P C 1.159 178.566 177.300 0.178 0.000 1.163 354 P CA 1.490 64.693 63.100 0.171 0.000 0.883 354 P CB 0.026 31.869 31.700 0.237 0.000 0.788 355 Y N 0.154 120.517 120.300 0.104 0.000 2.200 355 Y HA -0.172 4.378 4.550 -0.000 0.000 0.290 355 Y C 2.291 178.261 175.900 0.115 0.000 1.137 355 Y CA 1.978 60.140 58.100 0.104 0.000 1.163 355 Y CB -1.084 37.434 38.460 0.097 0.000 0.988 355 Y HN -0.100 nan 8.280 nan 0.000 0.518 356 T N -0.671 114.017 114.554 0.223 0.000 2.674 356 T HA -0.197 4.153 4.350 -0.000 0.000 0.265 356 T C 1.775 176.511 174.700 0.061 0.000 1.039 356 T CA 2.205 64.430 62.100 0.208 0.000 1.150 356 T CB -0.749 68.329 68.868 0.349 0.000 0.864 356 T HN 0.394 nan 8.240 nan 0.000 0.427 357 T N 2.348 116.885 114.554 -0.029 0.000 2.624 357 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 357 T C 2.352 176.845 174.700 -0.346 0.000 1.041 357 T CA 1.460 63.384 62.100 -0.294 0.000 1.159 357 T CB -0.793 67.629 68.868 -0.743 0.000 0.863 357 T HN 0.467 nan 8.240 nan 0.000 0.434 358 A N 1.008 123.699 122.820 -0.216 0.000 1.859 358 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 358 A C 2.647 180.086 177.584 -0.242 0.000 1.198 358 A CA 1.979 53.970 52.037 -0.077 0.000 0.629 358 A CB -1.304 17.686 19.000 -0.016 0.000 0.830 358 A HN 0.336 nan 8.150 nan 0.000 0.446 359 V N 0.294 120.037 119.914 -0.285 0.000 2.231 359 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 359 V C 2.480 178.476 176.094 -0.163 0.000 1.054 359 V CA 2.350 64.528 62.300 -0.203 0.000 1.015 359 V CB -0.724 31.039 31.823 -0.099 0.000 0.638 359 V HN 0.601 nan 8.190 nan 0.000 0.444 360 I N -0.728 119.709 120.570 -0.221 0.000 2.151 360 I HA -0.342 3.828 4.170 -0.000 0.000 0.243 360 I C 2.440 178.431 176.117 -0.211 0.000 1.080 360 I CA 2.062 63.180 61.300 -0.303 0.000 1.339 360 I CB -0.649 37.222 38.000 -0.214 0.000 1.039 360 I HN 0.407 nan 8.210 nan 0.000 0.409 361 H N -0.060 118.742 119.070 -0.446 0.000 2.353 361 H HA -0.196 4.360 4.556 -0.000 0.000 0.300 361 H C 2.118 177.145 175.328 -0.502 0.000 1.090 361 H CA 1.618 57.244 56.048 -0.704 0.000 1.327 361 H CB -0.165 28.601 29.762 -1.660 0.000 1.383 361 H HN 0.268 nan 8.280 nan 0.000 0.508 362 E N 0.453 120.494 120.200 -0.264 0.000 2.204 362 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 362 E C 2.070 178.813 176.600 0.239 0.000 0.990 362 E CA 0.692 57.152 56.400 0.100 0.000 0.821 362 E CB -0.241 29.444 29.700 -0.024 0.000 0.750 362 E HN 0.239 nan 8.360 nan 0.000 0.477 363 V N 0.858 120.887 119.914 0.192 0.000 2.295 363 V HA -0.283 3.836 4.120 -0.000 0.000 0.246 363 V C 2.394 178.545 176.094 0.094 0.000 1.049 363 V CA 2.143 64.563 62.300 0.200 0.000 1.024 363 V CB -0.591 31.250 31.823 0.030 0.000 0.648 363 V HN 0.360 nan 8.190 nan 0.000 0.447 364 Q N -0.370 119.453 119.800 0.038 0.000 2.061 364 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 364 Q C 2.514 178.483 176.000 -0.052 0.000 0.984 364 Q CA 1.932 57.726 55.803 -0.016 0.000 0.846 364 Q CB -0.297 28.470 28.738 0.047 0.000 0.902 364 Q HN 0.527 nan 8.270 nan 0.000 0.421 365 R N -0.110 120.437 120.500 0.079 0.000 2.073 365 R HA -0.112 4.227 4.340 -0.000 0.000 0.229 365 R C 2.127 178.331 176.300 -0.159 0.000 1.120 365 R CA 0.992 57.055 56.100 -0.061 0.000 0.967 365 R CB -0.219 30.052 30.300 -0.049 0.000 0.862 365 R HN 0.225 nan 8.270 nan 0.000 0.436 366 F N 0.635 120.491 119.950 -0.156 0.000 2.128 366 F HA 0.050 4.577 4.527 -0.000 0.000 0.295 366 F C 2.024 177.596 175.800 -0.379 0.000 1.100 366 F CA 1.744 59.645 58.000 -0.165 0.000 1.260 366 F CB -0.613 38.447 39.000 0.101 0.000 1.009 366 F HN 0.089 nan 8.300 nan 0.000 0.476 367 G N -0.543 108.068 108.800 -0.315 0.000 2.446 367 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.217 367 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.217 367 G C 0.178 174.542 174.900 -0.892 0.000 1.168 367 G CA 1.039 45.506 45.100 -1.055 0.000 0.771 367 G HN 0.482 nan 8.290 nan 0.000 0.551 368 D N -0.440 119.658 120.400 -0.503 0.000 2.904 368 D HA -0.191 4.449 4.640 -0.000 0.000 0.231 368 D C 1.362 177.499 176.300 -0.272 0.000 1.185 368 D CA 0.810 54.588 54.000 -0.370 0.000 0.783 368 D CB -1.270 39.295 40.800 -0.391 0.000 0.961 368 D HN 0.589 nan 8.370 nan 0.000 0.409 369 I N -2.173 118.276 120.570 -0.201 0.000 2.584 369 I HA 0.003 4.173 4.170 -0.000 0.000 0.255 369 I C 0.687 176.809 176.117 0.009 0.000 1.145 369 I CA 0.110 61.385 61.300 -0.042 0.000 1.462 369 I CB 0.160 38.187 38.000 0.044 0.000 1.102 369 I HN 0.041 nan 8.210 nan 0.000 0.433 370 V N 1.612 121.501 119.914 -0.041 0.000 2.204 370 V HA 0.348 4.468 4.120 -0.000 0.000 0.264 370 V C -1.833 174.213 176.094 -0.080 0.000 1.106 370 V CA -1.203 61.080 62.300 -0.028 0.000 0.947 370 V CB -0.097 31.731 31.823 0.008 0.000 1.164 370 V HN 0.078 nan 8.190 nan 0.000 0.461 371 P HA -0.018 nan 4.420 nan 0.000 0.217 371 P C 1.213 178.459 177.300 -0.089 0.000 1.150 371 P CA 1.130 64.188 63.100 -0.069 0.000 0.832 371 P CB 0.299 32.019 31.700 0.033 0.000 0.787 372 L N -2.493 118.629 121.223 -0.168 0.000 2.667 372 L HA 0.326 4.666 4.340 -0.000 0.000 0.232 372 L C 1.429 178.230 176.870 -0.116 0.000 1.138 372 L CA -0.012 54.733 54.840 -0.158 0.000 0.921 372 L CB -0.904 41.009 42.059 -0.243 0.000 1.180 372 L HN 0.072 nan 8.230 nan 0.000 0.487 373 G N 1.446 110.195 108.800 -0.086 0.000 2.574 373 G HA2 -0.374 3.585 3.960 -0.000 0.000 0.282 373 G HA3 -0.374 3.585 3.960 -0.000 0.000 0.282 373 G C -0.335 174.672 174.900 0.178 0.000 1.257 373 G CA 0.475 45.600 45.100 0.042 0.000 0.956 373 G HN 0.129 nan 8.290 nan 0.000 0.560 374 M N -0.244 119.502 119.600 0.243 0.000 2.644 374 M HA 0.717 5.196 4.480 -0.000 0.000 0.316 374 M C 0.570 177.042 176.300 0.286 0.000 1.200 374 M CA -0.148 55.335 55.300 0.305 0.000 0.944 374 M CB 1.839 34.485 32.600 0.076 0.000 1.691 374 M HN 1.081 nan 8.290 nan 0.000 0.471 375 T N 2.374 117.074 114.554 0.244 0.000 2.889 375 T HA 0.434 4.784 4.350 -0.000 0.000 0.291 375 T C -0.651 174.136 174.700 0.144 0.000 0.995 375 T CA -0.150 62.085 62.100 0.225 0.000 1.092 375 T CB 0.135 69.123 68.868 0.199 0.000 0.954 375 T HN 0.642 nan 8.240 nan 0.000 0.506 376 H N 2.641 121.687 119.070 -0.041 0.000 2.754 376 H HA 0.625 5.180 4.556 -0.000 0.000 0.352 376 H C -0.541 174.735 175.328 -0.087 0.000 1.213 376 H CA -1.094 54.900 56.048 -0.090 0.000 1.244 376 H CB 2.140 31.840 29.762 -0.103 0.000 1.843 376 H HN 0.424 nan 8.280 nan 0.000 0.587 377 M N 1.486 121.087 119.600 0.001 0.000 2.365 377 M HA 0.145 4.625 4.480 -0.000 0.000 0.287 377 M C -0.809 175.446 176.300 -0.075 0.000 1.154 377 M CA -0.673 54.604 55.300 -0.038 0.000 0.941 377 M CB 2.329 34.898 32.600 -0.051 0.000 1.704 377 M HN 0.732 nan 8.290 nan 0.000 0.479 378 T N 0.244 114.758 114.554 -0.067 0.000 2.913 378 T HA 0.283 4.632 4.350 -0.000 0.000 0.297 378 T C 0.504 175.152 174.700 -0.086 0.000 1.029 378 T CA -0.429 61.618 62.100 -0.087 0.000 1.104 378 T CB 1.209 70.033 68.868 -0.073 0.000 0.964 378 T HN 0.644 nan 8.240 nan 0.000 0.532 379 S N 1.923 117.555 115.700 -0.113 0.000 2.492 379 S HA 0.208 4.678 4.470 -0.000 0.000 0.218 379 S C 0.654 175.244 174.600 -0.016 0.000 1.016 379 S CA -0.276 57.883 58.200 -0.068 0.000 0.916 379 S CB -0.156 62.966 63.200 -0.130 0.000 0.791 379 S HN 0.888 nan 8.310 nan 0.000 0.513 380 R N 0.714 121.196 120.500 -0.030 0.000 2.712 380 R HA 0.325 4.665 4.340 -0.000 0.000 0.272 380 R C -2.080 174.200 176.300 -0.033 0.000 1.032 380 R CA -1.064 55.028 56.100 -0.013 0.000 0.874 380 R CB 0.198 30.505 30.300 0.011 0.000 1.256 380 R HN -0.057 nan 8.270 nan 0.000 0.468 381 D N 1.340 121.723 120.400 -0.027 0.000 2.390 381 D HA 0.211 4.851 4.640 -0.000 0.000 0.236 381 D C 0.219 176.475 176.300 -0.074 0.000 1.189 381 D CA 0.260 54.233 54.000 -0.045 0.000 0.887 381 D CB 0.624 41.407 40.800 -0.028 0.000 1.198 381 D HN 0.220 nan 8.370 nan 0.000 0.444 382 I N -0.054 120.441 120.570 -0.124 0.000 2.771 382 I HA 0.021 4.191 4.170 -0.000 0.000 0.291 382 I C -0.833 175.129 176.117 -0.258 0.000 1.527 382 I CA -0.737 60.394 61.300 -0.281 0.000 1.024 382 I CB 1.959 39.755 38.000 -0.341 0.000 1.388 382 I HN 0.485 nan 8.210 nan 0.000 0.447 383 E N 4.915 124.920 120.200 -0.324 0.000 2.376 383 E HA 0.467 4.817 4.350 -0.000 0.000 0.236 383 E C -0.573 175.957 176.600 -0.117 0.000 0.962 383 E CA -0.591 55.723 56.400 -0.144 0.000 0.768 383 E CB 2.040 31.702 29.700 -0.062 0.000 1.236 383 E HN 0.324 nan 8.360 nan 0.000 0.431 384 V N 1.935 121.806 119.914 -0.071 0.000 2.439 384 V HA 0.147 4.267 4.120 -0.000 0.000 0.282 384 V C 0.413 176.523 176.094 0.027 0.000 1.039 384 V CA -0.213 62.085 62.300 -0.004 0.000 0.913 384 V CB 0.979 32.803 31.823 0.003 0.000 0.983 384 V HN 0.827 nan 8.190 nan 0.000 0.460 385 Q N 4.256 124.041 119.800 -0.024 0.000 2.408 385 Q HA -0.272 4.068 4.340 -0.000 0.000 0.290 385 Q C 1.244 176.964 176.000 -0.467 0.000 1.221 385 Q CA 0.966 56.694 55.803 -0.125 0.000 0.895 385 Q CB -1.791 26.952 28.738 0.009 0.000 1.241 385 Q HN 1.985 nan 8.270 nan 0.000 0.494 386 G N -1.265 107.314 108.800 -0.369 0.000 2.258 386 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.233 386 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.233 386 G C -0.022 174.628 174.900 -0.417 0.000 1.006 386 G CA 0.072 44.901 45.100 -0.452 0.000 0.620 386 G HN 0.343 nan 8.290 nan 0.000 0.511 387 F N 3.664 123.599 119.950 -0.025 0.000 2.410 387 F HA 0.543 5.070 4.527 -0.000 0.000 0.348 387 F C 1.426 177.192 175.800 -0.056 0.000 1.106 387 F CA -1.010 56.969 58.000 -0.034 0.000 1.163 387 F CB 0.750 39.730 39.000 -0.034 0.000 1.129 387 F HN 0.058 nan 8.300 nan 0.000 0.516 388 R N 4.090 124.674 120.500 0.139 0.000 2.442 388 R HA 0.382 4.722 4.340 -0.000 0.000 0.291 388 R C -0.921 175.395 176.300 0.027 0.000 1.069 388 R CA 0.099 56.227 56.100 0.045 0.000 1.022 388 R CB 0.225 30.544 30.300 0.030 0.000 0.976 388 R HN 0.728 nan 8.270 nan 0.000 0.443 389 I N 4.263 124.820 120.570 -0.022 0.000 2.537 389 I HA 0.233 4.402 4.170 -0.000 0.000 0.276 389 I C -2.272 173.816 176.117 -0.048 0.000 1.063 389 I CA -2.566 58.710 61.300 -0.041 0.000 1.144 389 I CB 1.873 39.834 38.000 -0.065 0.000 1.252 389 I HN 0.222 nan 8.210 nan 0.000 0.480 390 P HA -0.094 nan 4.420 nan 0.000 0.266 390 P C -0.056 177.227 177.300 -0.028 0.000 1.186 390 P CA -0.051 63.035 63.100 -0.024 0.000 0.767 390 P CB 0.540 32.231 31.700 -0.016 0.000 0.820 391 K N 2.334 122.721 120.400 -0.021 0.000 2.569 391 K HA 0.085 4.405 4.320 -0.000 0.000 0.280 391 K C 0.467 177.058 176.600 -0.015 0.000 0.984 391 K CA 1.158 57.434 56.287 -0.018 0.000 1.064 391 K CB -0.661 31.836 32.500 -0.005 0.000 0.866 391 K HN 0.835 nan 8.250 nan 0.000 0.492 392 G N 2.897 111.686 108.800 -0.019 0.000 2.487 392 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.243 392 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.243 392 G C -0.588 174.302 174.900 -0.017 0.000 0.918 392 G CA 0.186 45.276 45.100 -0.015 0.000 1.260 392 G HN 0.607 nan 8.290 nan 0.000 0.408 393 T N 1.261 115.800 114.554 -0.025 0.000 3.105 393 T HA 0.514 4.864 4.350 -0.000 0.000 0.321 393 T C 0.157 174.842 174.700 -0.026 0.000 1.135 393 T CA -0.333 61.752 62.100 -0.026 0.000 1.053 393 T CB 1.657 70.501 68.868 -0.040 0.000 1.133 393 T HN 0.538 nan 8.240 nan 0.000 0.463 394 T N 4.500 119.044 114.554 -0.017 0.000 2.751 394 T HA 0.263 4.612 4.350 -0.000 0.000 0.290 394 T C -0.050 174.631 174.700 -0.032 0.000 0.919 394 T CA -0.482 61.613 62.100 -0.007 0.000 1.136 394 T CB -0.133 68.741 68.868 0.011 0.000 0.875 394 T HN 0.164 nan 8.240 nan 0.000 0.532 395 L N 5.015 126.224 121.223 -0.023 0.000 2.265 395 L HA 0.490 4.830 4.340 -0.000 0.000 0.288 395 L C 0.271 177.116 176.870 -0.041 0.000 1.058 395 L CA -0.332 54.469 54.840 -0.065 0.000 0.809 395 L CB 0.784 42.796 42.059 -0.079 0.000 1.179 395 L HN 0.627 nan 8.230 nan 0.000 0.429 396 I N 2.969 123.476 120.570 -0.104 0.000 2.321 396 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 396 I C 0.348 176.375 176.117 -0.150 0.000 0.998 396 I CA -0.412 60.844 61.300 -0.074 0.000 1.227 396 I CB 1.814 39.771 38.000 -0.073 0.000 1.368 396 I HN 0.596 nan 8.210 nan 0.000 0.466 397 T N 1.637 116.128 114.554 -0.105 0.000 2.910 397 T HA 0.212 4.562 4.350 -0.000 0.000 0.323 397 T C 0.121 174.767 174.700 -0.090 0.000 1.091 397 T CA -0.850 61.167 62.100 -0.138 0.000 0.960 397 T CB 0.170 68.937 68.868 -0.167 0.000 1.024 397 T HN 0.392 nan 8.240 nan 0.000 0.509 398 N N 4.138 122.779 118.700 -0.098 0.000 2.498 398 N HA 0.112 4.851 4.740 -0.000 0.000 0.277 398 N C 1.058 176.536 175.510 -0.053 0.000 1.208 398 N CA -0.489 52.538 53.050 -0.039 0.000 1.029 398 N CB -0.360 38.119 38.487 -0.013 0.000 1.403 398 N HN 0.701 nan 8.380 nan 0.000 0.500 399 L N 0.950 122.133 121.223 -0.066 0.000 2.141 399 L HA -0.144 4.195 4.340 -0.000 0.000 0.209 399 L C 2.285 179.093 176.870 -0.103 0.000 1.094 399 L CA 0.750 55.541 54.840 -0.082 0.000 0.763 399 L CB -0.484 41.519 42.059 -0.093 0.000 0.908 399 L HN 0.461 nan 8.230 nan 0.000 0.437 400 S N 0.231 115.860 115.700 -0.117 0.000 2.359 400 S HA -0.240 4.230 4.470 -0.000 0.000 0.224 400 S C 2.308 176.820 174.600 -0.145 0.000 1.035 400 S CA 1.962 60.062 58.200 -0.166 0.000 1.018 400 S CB -0.295 62.792 63.200 -0.188 0.000 0.876 400 S HN 0.609 nan 8.310 nan 0.000 0.448 401 S N 0.514 116.165 115.700 -0.081 0.000 2.419 401 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 401 S C 1.764 176.356 174.600 -0.013 0.000 1.019 401 S CA 1.356 59.532 58.200 -0.040 0.000 0.982 401 S CB -0.785 62.418 63.200 0.006 0.000 0.789 401 S HN 0.411 nan 8.310 nan 0.000 0.490 402 V N 1.009 120.918 119.914 -0.009 0.000 2.379 402 V HA 0.040 4.159 4.120 -0.000 0.000 0.243 402 V C 2.472 178.661 176.094 0.159 0.000 1.035 402 V CA 1.002 63.337 62.300 0.057 0.000 1.035 402 V CB -0.801 31.042 31.823 0.033 0.000 0.673 402 V HN 0.356 nan 8.190 nan 0.000 0.457 403 L N 0.025 121.256 121.223 0.012 0.000 2.201 403 L HA -0.028 4.312 4.340 -0.000 0.000 0.212 403 L C 1.893 178.522 176.870 -0.402 0.000 1.105 403 L CA 1.747 56.512 54.840 -0.126 0.000 0.775 403 L CB -0.638 41.263 42.059 -0.263 0.000 0.913 403 L HN 0.305 nan 8.230 nan 0.000 0.440 404 K N -0.684 119.542 120.400 -0.291 0.000 2.478 404 K HA 0.123 4.443 4.320 -0.000 0.000 0.205 404 K C -0.040 176.457 176.600 -0.172 0.000 1.033 404 K CA -0.283 55.731 56.287 -0.455 0.000 1.091 404 K CB 0.301 32.394 32.500 -0.678 0.000 0.844 404 K HN 0.161 nan 8.250 nan 0.000 0.507 405 D N 2.426 122.889 120.400 0.104 0.000 2.581 405 D HA -0.118 4.521 4.640 -0.000 0.000 0.238 405 D C 0.837 177.226 176.300 0.148 0.000 1.145 405 D CA 0.665 54.745 54.000 0.133 0.000 0.866 405 D CB 0.949 41.826 40.800 0.128 0.000 1.151 405 D HN 0.155 nan 8.370 nan 0.000 0.500 406 E N 3.108 123.358 120.200 0.084 0.000 2.106 406 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 406 E C 1.641 178.281 176.600 0.067 0.000 0.984 406 E CA 1.212 57.670 56.400 0.097 0.000 0.806 406 E CB 0.007 29.778 29.700 0.119 0.000 0.750 406 E HN 0.545 nan 8.360 nan 0.000 0.458 407 A N -0.491 122.348 122.820 0.032 0.000 2.238 407 A HA 0.109 4.429 4.320 -0.000 0.000 0.208 407 A C 1.738 179.279 177.584 -0.073 0.000 1.177 407 A CA 0.520 52.552 52.037 -0.009 0.000 0.804 407 A CB 0.261 19.256 19.000 -0.009 0.000 0.823 407 A HN 0.193 nan 8.150 nan 0.000 0.482 408 V N -2.759 117.084 119.914 -0.119 0.000 2.854 408 V HA 0.069 4.188 4.120 -0.000 0.000 0.236 408 V C 0.228 176.076 176.094 -0.409 0.000 1.157 408 V CA 0.193 62.282 62.300 -0.352 0.000 1.187 408 V CB -0.316 31.157 31.823 -0.583 0.000 0.949 408 V HN 0.641 nan 8.190 nan 0.000 0.488 409 W N 1.277 122.508 121.300 -0.115 0.000 2.361 409 W HA 0.431 5.091 4.660 -0.000 0.000 0.309 409 W C 1.367 177.906 176.519 0.034 0.000 1.122 409 W CA -0.306 56.957 57.345 -0.136 0.000 1.208 409 W CB 0.586 29.802 29.460 -0.407 0.000 1.246 409 W HN 0.097 nan 8.180 nan 0.000 0.490 410 E N 2.179 122.593 120.200 0.357 0.000 2.113 410 E HA -0.273 4.077 4.350 -0.000 0.000 0.210 410 E C 0.059 176.766 176.600 0.179 0.000 1.040 410 E CA 1.558 58.093 56.400 0.224 0.000 0.847 410 E CB 0.164 29.965 29.700 0.169 0.000 0.755 410 E HN 0.358 nan 8.360 nan 0.000 0.459 411 K N -0.763 119.842 120.400 0.342 0.000 2.827 411 K HA 0.181 4.501 4.320 -0.000 0.000 0.186 411 K C -2.299 174.450 176.600 0.248 0.000 1.093 411 K CA -1.244 55.134 56.287 0.152 0.000 0.993 411 K CB 1.827 34.214 32.500 -0.190 0.000 1.199 411 K HN -0.026 nan 8.250 nan 0.000 0.598 412 P HA -0.089 nan 4.420 nan 0.000 0.219 412 P C 0.236 177.346 177.300 -0.316 0.000 1.150 412 P CA 0.920 63.900 63.100 -0.200 0.000 0.814 412 P CB 0.178 31.677 31.700 -0.335 0.000 0.787 413 F N -1.034 118.977 119.950 0.103 0.000 2.660 413 F HA 0.199 4.725 4.527 -0.001 0.000 0.302 413 F C 1.145 177.134 175.800 0.315 0.000 1.103 413 F CA -0.054 58.021 58.000 0.126 0.000 1.340 413 F CB 0.111 39.166 39.000 0.091 0.000 1.048 413 F HN -0.328 nan 8.300 nan 0.000 0.551 414 R N -0.323 120.441 120.500 0.440 0.000 2.740 414 R HA 0.292 4.632 4.340 -0.000 0.000 0.282 414 R C -1.166 175.353 176.300 0.366 0.000 0.969 414 R CA -1.082 55.259 56.100 0.402 0.000 0.918 414 R CB 1.642 32.061 30.300 0.197 0.000 1.175 414 R HN -0.062 nan 8.270 nan 0.000 0.464 415 F N 2.896 122.786 119.950 -0.101 0.000 2.466 415 F HA 0.126 4.653 4.527 -0.000 0.000 0.363 415 F C -0.351 175.401 175.800 -0.080 0.000 1.109 415 F CA 0.153 57.967 58.000 -0.311 0.000 1.161 415 F CB 0.060 38.650 39.000 -0.684 0.000 1.117 415 F HN 0.479 nan 8.300 nan 0.000 0.539 416 H N 7.497 126.178 119.070 -0.647 0.000 2.750 416 H HA 0.336 4.891 4.556 -0.000 0.000 0.261 416 H C -2.422 172.640 175.328 -0.443 0.000 1.387 416 H CA -1.812 53.935 56.048 -0.501 0.000 1.557 416 H CB 0.998 30.508 29.762 -0.420 0.000 1.756 416 H HN 0.293 nan 8.280 nan 0.000 0.580 417 P HA -0.135 nan 4.420 nan 0.000 0.223 417 P C 1.090 178.261 177.300 -0.215 0.000 1.144 417 P CA 0.922 63.790 63.100 -0.387 0.000 0.783 417 P CB 0.490 31.891 31.700 -0.497 0.000 0.771 418 E N -1.365 118.545 120.200 -0.483 0.000 2.171 418 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 418 E C 1.673 178.197 176.600 -0.127 0.000 0.997 418 E CA 1.171 57.366 56.400 -0.341 0.000 0.810 418 E CB -1.062 28.298 29.700 -0.566 0.000 0.738 418 E HN 0.500 nan 8.360 nan 0.000 0.467 419 H N -1.924 117.144 119.070 -0.004 0.000 2.472 419 H HA -0.179 4.377 4.556 -0.000 0.000 0.296 419 H C 0.778 175.930 175.328 -0.293 0.000 1.120 419 H CA 1.326 57.367 56.048 -0.011 0.000 1.250 419 H CB -0.088 29.721 29.762 0.078 0.000 1.366 419 H HN 0.176 nan 8.280 nan 0.000 0.524 420 F N -0.536 119.466 119.950 0.086 0.000 2.682 420 F HA 0.262 4.788 4.527 -0.000 0.000 0.308 420 F C -0.062 175.671 175.800 -0.111 0.000 1.093 420 F CA -0.072 57.889 58.000 -0.064 0.000 1.244 420 F CB 0.803 39.804 39.000 0.001 0.000 1.052 420 F HN -0.095 nan 8.300 nan 0.000 0.573 421 L N 1.373 122.634 121.223 0.063 0.000 2.313 421 L HA 0.323 4.662 4.340 -0.000 0.000 0.283 421 L C -0.271 176.598 176.870 -0.001 0.000 1.013 421 L CA -1.093 53.779 54.840 0.053 0.000 0.816 421 L CB 1.098 43.203 42.059 0.077 0.000 1.236 421 L HN 0.026 nan 8.230 nan 0.000 0.419 422 D N 2.584 122.983 120.400 -0.000 0.000 2.393 422 D HA 0.106 4.746 4.640 -0.000 0.000 0.246 422 D C 1.135 177.424 176.300 -0.019 0.000 1.275 422 D CA -0.012 53.981 54.000 -0.012 0.000 0.979 422 D CB 0.969 41.774 40.800 0.008 0.000 1.101 422 D HN 0.488 nan 8.370 nan 0.000 0.505 423 A N -0.175 122.633 122.820 -0.021 0.000 1.986 423 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 423 A C 1.973 179.526 177.584 -0.051 0.000 1.171 423 A CA 1.883 53.904 52.037 -0.027 0.000 0.640 423 A CB -0.773 18.216 19.000 -0.018 0.000 0.811 423 A HN 0.580 nan 8.150 nan 0.000 0.451 424 Q N -1.600 118.147 119.800 -0.089 0.000 2.403 424 Q HA 0.354 4.694 4.340 -0.000 0.000 0.203 424 Q C 1.079 176.928 176.000 -0.252 0.000 0.932 424 Q CA 0.698 56.389 55.803 -0.187 0.000 0.945 424 Q CB 0.099 28.669 28.738 -0.281 0.000 1.045 424 Q HN 0.934 nan 8.270 nan 0.000 0.511 425 G N 0.495 109.211 108.800 -0.141 0.000 2.182 425 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.248 425 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.248 425 G C -0.626 174.246 174.900 -0.047 0.000 1.042 425 G CA -0.157 44.910 45.100 -0.056 0.000 0.775 425 G HN 0.519 nan 8.290 nan 0.000 0.501 426 H N -1.290 117.823 119.070 0.071 0.000 2.511 426 H HA 0.484 5.040 4.556 -0.000 0.000 0.346 426 H C 0.351 175.741 175.328 0.103 0.000 1.128 426 H CA -0.594 55.505 56.048 0.086 0.000 1.342 426 H CB 0.952 30.741 29.762 0.046 0.000 1.470 426 H HN 0.243 nan 8.280 nan 0.000 0.546 427 F N 4.064 124.096 119.950 0.136 0.000 2.504 427 F HA 0.288 4.814 4.527 -0.000 0.000 0.369 427 F C -0.314 175.503 175.800 0.028 0.000 1.082 427 F CA -0.604 57.421 58.000 0.042 0.000 1.216 427 F CB 0.189 39.165 39.000 -0.039 0.000 1.108 427 F HN 0.270 nan 8.300 nan 0.000 0.554 428 V N 4.374 123.826 119.914 -0.771 0.000 2.823 428 V HA 0.606 4.726 4.120 -0.000 0.000 0.312 428 V C -1.342 174.190 176.094 -0.938 0.000 1.072 428 V CA -1.067 60.799 62.300 -0.723 0.000 0.937 428 V CB 1.813 33.442 31.823 -0.323 0.000 1.013 428 V HN 0.886 nan 8.190 nan 0.000 0.430 429 K N 3.512 123.544 120.400 -0.614 0.000 2.507 429 K HA 0.688 5.008 4.320 -0.000 0.000 0.253 429 K C -2.851 173.688 176.600 -0.101 0.000 0.969 429 K CA -1.478 54.660 56.287 -0.248 0.000 0.908 429 K CB 1.383 33.873 32.500 -0.016 0.000 1.127 429 K HN 0.566 nan 8.250 nan 0.000 0.437 430 P HA -0.066 nan 4.420 nan 0.000 0.266 430 P C 0.148 177.449 177.300 0.002 0.000 1.186 430 P CA -0.013 62.967 63.100 -0.199 0.000 0.767 430 P CB 0.632 32.013 31.700 -0.531 0.000 0.820 431 E N 1.442 121.617 120.200 -0.041 0.000 2.204 431 E HA -0.187 4.162 4.350 -0.000 0.000 0.195 431 E C 1.745 178.397 176.600 0.088 0.000 0.990 431 E CA 1.156 57.580 56.400 0.040 0.000 0.821 431 E CB -0.227 29.466 29.700 -0.012 0.000 0.750 431 E HN 0.524 nan 8.360 nan 0.000 0.477 432 A N 0.971 123.797 122.820 0.009 0.000 2.225 432 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 432 A C 0.805 178.672 177.584 0.472 0.000 1.164 432 A CA 0.249 52.367 52.037 0.135 0.000 0.710 432 A CB -0.550 18.387 19.000 -0.105 0.000 0.780 432 A HN 0.239 nan 8.150 nan 0.000 0.473 433 F N 0.814 120.988 119.950 0.374 0.000 2.494 433 F HA 0.405 4.931 4.527 -0.000 0.000 0.351 433 F C 0.178 176.151 175.800 0.289 0.000 1.205 433 F CA -0.473 57.801 58.000 0.456 0.000 1.125 433 F CB 0.132 39.497 39.000 0.609 0.000 1.268 433 F HN 0.004 nan 8.300 nan 0.000 0.593 434 L N 9.142 130.258 121.223 -0.177 0.000 2.960 434 L HA 0.203 4.543 4.340 -0.000 0.000 0.274 434 L C -1.570 175.110 176.870 -0.316 0.000 1.327 434 L CA -0.982 53.751 54.840 -0.178 0.000 0.860 434 L CB 0.621 42.662 42.059 -0.029 0.000 1.239 434 L HN 0.404 nan 8.230 nan 0.000 0.551 435 P HA -0.106 nan 4.420 nan 0.000 0.219 435 P C 1.034 178.036 177.300 -0.497 0.000 1.150 435 P CA 1.167 63.901 63.100 -0.611 0.000 0.814 435 P CB 0.147 31.315 31.700 -0.886 0.000 0.787 436 F N -0.353 119.522 119.950 -0.125 0.000 2.692 436 F HA 0.233 4.760 4.527 -0.001 0.000 0.303 436 F C 1.682 177.493 175.800 0.018 0.000 1.114 436 F CA 0.180 58.173 58.000 -0.011 0.000 1.361 436 F CB -0.506 38.508 39.000 0.023 0.000 1.063 436 F HN -0.044 nan 8.300 nan 0.000 0.550 437 S N 0.305 116.066 115.700 0.102 0.000 3.521 437 S HA -0.007 4.463 4.470 -0.000 0.000 0.631 437 S C -0.344 174.321 174.600 0.109 0.000 2.557 437 S CA 0.148 58.396 58.200 0.080 0.000 3.244 437 S CB -1.143 62.114 63.200 0.096 0.000 0.300 437 S HN 1.195 nan 8.310 nan 0.000 1.439 438 A N -0.160 122.718 122.820 0.097 0.000 2.599 438 A HA 0.792 5.112 4.320 -0.000 0.000 0.294 438 A C 0.643 178.282 177.584 0.092 0.000 1.055 438 A CA 0.882 52.973 52.037 0.089 0.000 0.683 438 A CB 0.489 19.522 19.000 0.055 0.000 1.278 438 A HN 2.979 nan 8.150 nan 0.000 0.412 439 G N 0.226 109.085 108.800 0.097 0.000 2.582 439 G HA2 0.014 3.973 3.960 -0.000 0.000 0.222 439 G HA3 0.014 3.973 3.960 -0.000 0.000 0.222 439 G C 0.458 175.451 174.900 0.154 0.000 1.311 439 G CA 0.498 45.661 45.100 0.106 0.000 0.915 439 G HN 1.309 nan 8.290 nan 0.000 0.528 440 R N -0.302 120.303 120.500 0.176 0.000 2.200 440 R HA 0.031 4.371 4.340 -0.000 0.000 0.234 440 R C 2.089 178.615 176.300 0.378 0.000 1.127 440 R CA 1.569 57.834 56.100 0.275 0.000 0.989 440 R CB -0.110 30.373 30.300 0.304 0.000 0.869 440 R HN 0.307 nan 8.270 nan 0.000 0.459 441 R N -0.479 120.186 120.500 0.275 0.000 2.546 441 R HA 0.276 4.616 4.340 -0.000 0.000 0.320 441 R C -0.329 176.117 176.300 0.245 0.000 1.021 441 R CA 0.071 56.333 56.100 0.270 0.000 1.088 441 R CB 0.999 31.315 30.300 0.026 0.000 1.278 441 R HN 0.083 nan 8.270 nan 0.000 0.557 442 A N 0.725 123.682 122.820 0.228 0.000 2.429 442 A HA -0.014 4.306 4.320 -0.000 0.000 0.242 442 A C 0.513 178.226 177.584 0.214 0.000 1.088 442 A CA -0.218 51.942 52.037 0.206 0.000 0.784 442 A CB 0.220 19.323 19.000 0.172 0.000 1.038 442 A HN 0.498 nan 8.150 nan 0.000 0.501 443 C N 2.317 121.761 119.300 0.240 0.000 2.592 443 C HA 0.114 4.574 4.460 -0.000 0.000 0.408 443 C C 1.837 176.920 174.990 0.155 0.000 1.436 443 C CA -0.074 59.094 59.018 0.251 0.000 1.595 443 C CB -2.059 25.911 27.740 0.384 0.000 2.487 443 C HN 0.755 nan 8.230 nan 0.000 0.610 444 L N 4.882 126.206 121.223 0.167 0.000 2.129 444 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 444 L C 2.425 179.332 176.870 0.061 0.000 1.087 444 L CA 1.971 56.876 54.840 0.107 0.000 0.757 444 L CB -0.500 41.639 42.059 0.133 0.000 0.896 444 L HN 1.032 nan 8.230 nan 0.000 0.434 445 G N -1.573 107.278 108.800 0.086 0.000 2.939 445 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.210 445 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.210 445 G C 1.260 176.129 174.900 -0.051 0.000 1.160 445 G CA 0.102 45.239 45.100 0.062 0.000 0.770 445 G HN 0.367 nan 8.290 nan 0.000 0.543 446 E N 1.194 121.262 120.200 -0.220 0.000 2.086 446 E HA -0.197 4.153 4.350 -0.000 0.000 0.205 446 E C -0.145 176.249 176.600 -0.345 0.000 1.027 446 E CA 1.791 57.812 56.400 -0.633 0.000 0.830 446 E CB -0.335 28.861 29.700 -0.840 0.000 0.751 446 E HN 0.332 nan 8.360 nan 0.000 0.456 447 P HA -0.168 nan 4.420 nan 0.000 0.215 447 P C 1.472 178.746 177.300 -0.043 0.000 1.157 447 P CA 0.980 64.022 63.100 -0.096 0.000 0.868 447 P CB -0.087 31.574 31.700 -0.065 0.000 0.788 448 L N -0.870 120.345 121.223 -0.013 0.000 2.201 448 L HA 0.015 4.355 4.340 -0.000 0.000 0.212 448 L C 2.100 179.022 176.870 0.087 0.000 1.105 448 L CA 1.655 56.521 54.840 0.042 0.000 0.775 448 L CB -1.494 40.604 42.059 0.066 0.000 0.913 448 L HN -0.138 nan 8.230 nan 0.000 0.440 449 A N -0.595 122.276 122.820 0.085 0.000 1.854 449 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 449 A C 2.414 180.106 177.584 0.180 0.000 1.192 449 A CA 1.223 53.369 52.037 0.182 0.000 0.611 449 A CB -0.512 18.661 19.000 0.288 0.000 0.832 449 A HN 0.393 nan 8.150 nan 0.000 0.442 450 R N -1.294 119.262 120.500 0.092 0.000 2.119 450 R HA -0.226 4.114 4.340 -0.000 0.000 0.246 450 R C 2.309 178.686 176.300 0.129 0.000 1.146 450 R CA 2.029 58.188 56.100 0.097 0.000 0.962 450 R CB -0.462 29.846 30.300 0.013 0.000 0.863 450 R HN 0.686 nan 8.270 nan 0.000 0.442 451 M N 0.726 120.385 119.600 0.099 0.000 2.059 451 M HA -0.202 4.278 4.480 -0.000 0.000 0.259 451 M C 1.859 178.235 176.300 0.126 0.000 1.072 451 M CA 1.789 57.154 55.300 0.108 0.000 1.117 451 M CB -0.088 32.543 32.600 0.052 0.000 1.320 451 M HN 0.107 nan 8.290 nan 0.000 0.408 452 E N 0.152 120.430 120.200 0.130 0.000 2.097 452 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 452 E C 1.968 178.756 176.600 0.313 0.000 1.000 452 E CA 1.786 58.292 56.400 0.177 0.000 0.804 452 E CB -0.330 29.588 29.700 0.365 0.000 0.740 452 E HN 0.563 nan 8.360 nan 0.000 0.454 453 L N -0.248 121.154 121.223 0.299 0.000 2.027 453 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 453 L C 2.437 179.490 176.870 0.304 0.000 1.074 453 L CA 0.971 55.986 54.840 0.292 0.000 0.745 453 L CB -0.460 41.714 42.059 0.191 0.000 0.898 453 L HN 0.133 nan 8.230 nan 0.000 0.433 454 F N 0.718 120.746 119.950 0.129 0.000 2.084 454 F HA -0.209 4.318 4.527 -0.000 0.000 0.296 454 F C 2.299 178.193 175.800 0.158 0.000 1.111 454 F CA 1.517 59.596 58.000 0.132 0.000 1.224 454 F CB -0.047 38.989 39.000 0.060 0.000 0.991 454 F HN -0.159 nan 8.300 nan 0.000 0.471 455 L N -0.872 120.333 121.223 -0.030 0.000 2.017 455 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 455 L C 2.470 179.262 176.870 -0.131 0.000 1.073 455 L CA 1.247 55.972 54.840 -0.192 0.000 0.745 455 L CB -0.826 41.127 42.059 -0.176 0.000 0.894 455 L HN 0.136 nan 8.230 nan 0.000 0.432 456 F N -0.787 119.204 119.950 0.069 0.000 2.102 456 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 456 F C 2.357 178.198 175.800 0.069 0.000 1.105 456 F CA 1.328 59.374 58.000 0.077 0.000 1.239 456 F CB -0.884 38.186 39.000 0.117 0.000 0.991 456 F HN -0.058 nan 8.300 nan 0.000 0.474 457 F N 1.114 121.152 119.950 0.148 0.000 2.113 457 F HA -0.205 4.321 4.527 -0.001 0.000 0.297 457 F C 2.701 178.515 175.800 0.025 0.000 1.103 457 F CA 2.068 60.111 58.000 0.073 0.000 1.248 457 F CB -0.855 38.190 39.000 0.075 0.000 0.999 457 F HN 0.041 nan 8.300 nan 0.000 0.475 458 T N -2.494 112.030 114.554 -0.049 0.000 2.668 458 T HA -0.169 4.180 4.350 -0.000 0.000 0.262 458 T C 2.207 176.858 174.700 -0.081 0.000 1.045 458 T CA 1.471 63.472 62.100 -0.165 0.000 1.152 458 T CB -1.123 67.501 68.868 -0.407 0.000 0.864 458 T HN 0.232 nan 8.240 nan 0.000 0.419 459 S N 2.036 117.713 115.700 -0.039 0.000 2.381 459 S HA -0.113 4.356 4.470 -0.000 0.000 0.230 459 S C 1.992 176.706 174.600 0.190 0.000 1.052 459 S CA 1.741 59.998 58.200 0.096 0.000 1.068 459 S CB -0.793 62.473 63.200 0.110 0.000 0.918 459 S HN 0.429 nan 8.310 nan 0.000 0.448 460 L N 0.518 121.825 121.223 0.141 0.000 2.056 460 L HA -0.020 4.319 4.340 -0.000 0.000 0.207 460 L C 2.145 179.244 176.870 0.381 0.000 1.078 460 L CA 1.002 56.012 54.840 0.284 0.000 0.749 460 L CB -0.394 41.738 42.059 0.123 0.000 0.901 460 L HN 0.289 nan 8.230 nan 0.000 0.433 461 L N -0.582 120.721 121.223 0.133 0.000 2.395 461 L HA -0.129 4.210 4.340 -0.000 0.000 0.218 461 L C 2.548 179.449 176.870 0.052 0.000 1.130 461 L CA 0.553 55.467 54.840 0.125 0.000 0.826 461 L CB -0.306 41.702 42.059 -0.085 0.000 0.941 461 L HN 0.425 nan 8.230 nan 0.000 0.451 462 Q N -0.103 119.707 119.800 0.017 0.000 2.049 462 Q HA -0.205 4.135 4.340 -0.000 0.000 0.198 462 Q C 1.934 177.821 176.000 -0.187 0.000 0.971 462 Q CA 1.599 57.353 55.803 -0.081 0.000 0.833 462 Q CB 0.080 28.753 28.738 -0.108 0.000 0.896 462 Q HN 0.524 nan 8.270 nan 0.000 0.434 463 H N -1.525 117.427 119.070 -0.196 0.000 2.403 463 H HA 0.121 4.676 4.556 -0.000 0.000 0.298 463 H C -0.218 174.690 175.328 -0.700 0.000 1.059 463 H CA 0.919 56.666 56.048 -0.503 0.000 1.363 463 H CB 0.336 29.653 29.762 -0.741 0.000 1.410 463 H HN 0.077 nan 8.280 nan 0.000 0.528 464 F N -1.329 118.584 119.950 -0.063 0.000 2.611 464 F HA 0.510 5.037 4.527 -0.000 0.000 0.324 464 F C -0.047 175.477 175.800 -0.460 0.000 1.061 464 F CA -1.083 56.724 58.000 -0.322 0.000 0.954 464 F CB 1.852 40.468 39.000 -0.640 0.000 1.301 464 F HN -0.347 nan 8.300 nan 0.000 0.482 465 S N 1.057 116.622 115.700 -0.226 0.000 2.478 465 S HA 0.637 5.106 4.470 -0.000 0.000 0.312 465 S C -1.227 173.212 174.600 -0.269 0.000 1.094 465 S CA -0.526 57.559 58.200 -0.193 0.000 1.081 465 S CB 0.400 63.579 63.200 -0.034 0.000 1.007 465 S HN 0.336 nan 8.310 nan 0.000 0.475 466 F N 2.335 122.352 119.950 0.112 0.000 2.421 466 F HA 0.655 5.182 4.527 -0.001 0.000 0.337 466 F C 0.985 176.806 175.800 0.035 0.000 1.105 466 F CA -0.351 57.692 58.000 0.073 0.000 1.049 466 F CB 1.621 40.657 39.000 0.060 0.000 1.139 466 F HN 0.578 nan 8.300 nan 0.000 0.479 467 S N 0.886 116.694 115.700 0.181 0.000 2.656 467 S HA 0.660 5.129 4.470 -0.000 0.000 0.273 467 S C -1.121 173.507 174.600 0.046 0.000 1.168 467 S CA -1.072 57.181 58.200 0.088 0.000 0.817 467 S CB 1.328 64.564 63.200 0.060 0.000 1.146 467 S HN 0.776 nan 8.310 nan 0.000 0.475 468 V N 0.666 120.587 119.914 0.010 0.000 2.530 468 V HA 0.579 4.699 4.120 -0.000 0.000 0.282 468 V C -2.751 173.342 176.094 -0.001 0.000 1.048 468 V CA -1.599 60.696 62.300 -0.009 0.000 0.997 468 V CB 0.113 31.913 31.823 -0.037 0.000 0.987 468 V HN 0.797 nan 8.190 nan 0.000 0.477 469 P HA 0.066 nan 4.420 nan 0.000 0.263 469 P C 1.130 178.431 177.300 0.001 0.000 1.175 469 P CA 0.776 63.876 63.100 -0.000 0.000 0.761 469 P CB 0.429 32.123 31.700 -0.010 0.000 0.794 470 T N -0.379 114.180 114.554 0.007 0.000 2.929 470 T HA -0.108 4.242 4.350 -0.000 0.000 0.271 470 T C 1.925 176.626 174.700 0.003 0.000 1.085 470 T CA 1.327 63.432 62.100 0.007 0.000 1.125 470 T CB -0.916 67.959 68.868 0.012 0.000 0.874 470 T HN 0.482 nan 8.240 nan 0.000 0.494 471 G N 0.569 109.369 108.800 0.001 0.000 2.453 471 G HA2 0.067 4.027 3.960 -0.000 0.000 0.215 471 G HA3 0.067 4.027 3.960 -0.000 0.000 0.215 471 G C 0.694 175.591 174.900 -0.006 0.000 1.147 471 G CA -0.295 44.804 45.100 -0.001 0.000 0.802 471 G HN 0.508 nan 8.290 nan 0.000 0.535 472 Q N 0.494 120.288 119.800 -0.009 0.000 2.327 472 Q HA 0.201 4.540 4.340 -0.000 0.000 0.254 472 Q C -1.366 174.623 176.000 -0.020 0.000 0.952 472 Q CA -1.516 54.278 55.803 -0.015 0.000 0.884 472 Q CB 1.539 30.265 28.738 -0.019 0.000 1.224 472 Q HN 0.114 nan 8.270 nan 0.000 0.422 473 P HA -0.117 nan 4.420 nan 0.000 0.239 473 P C -0.761 176.516 177.300 -0.039 0.000 1.184 473 P CA 0.563 63.649 63.100 -0.024 0.000 0.760 473 P CB 0.293 31.982 31.700 -0.019 0.000 0.884 474 R N -0.526 119.943 120.500 -0.052 0.000 1.000 474 R HA -0.041 4.299 4.340 -0.000 0.000 0.430 474 R C -2.691 173.537 176.300 -0.120 0.000 1.348 474 R CA -0.238 55.811 56.100 -0.085 0.000 0.950 474 R CB -1.788 28.463 30.300 -0.082 0.000 3.022 474 R HN 0.052 nan 8.270 nan 0.000 0.515 475 P HA 0.243 nan 4.420 nan 0.000 0.000 475 P C -0.778 176.365 177.300 -0.262 0.000 0.000 475 P CA -0.609 62.393 63.100 -0.164 0.000 0.000 475 P CB 0.940 32.541 31.700 -0.164 0.000 0.000 476 S N -1.320 114.252 115.700 -0.213 0.000 2.562 476 S HA 0.134 4.604 4.470 -0.000 0.000 0.275 476 S C 1.373 175.816 174.600 -0.263 0.000 1.281 476 S CA -0.491 57.544 58.200 -0.275 0.000 1.045 476 S CB -0.164 63.025 63.200 -0.017 0.000 0.962 476 S HN 0.427 nan 8.310 nan 0.000 0.503 477 H N 2.909 121.927 119.070 -0.087 0.000 2.423 477 H HA 0.026 4.582 4.556 -0.000 0.000 0.297 477 H C 0.108 175.573 175.328 0.228 0.000 1.075 477 H CA 0.537 56.632 56.048 0.077 0.000 1.342 477 H CB -0.444 29.339 29.762 0.035 0.000 1.395 477 H HN 0.616 nan 8.280 nan 0.000 0.530 478 H N 1.014 120.388 119.070 0.506 0.000 2.615 478 H HA 0.432 4.988 4.556 -0.000 0.000 0.363 478 H C 0.648 176.201 175.328 0.376 0.000 1.148 478 H CA 0.262 56.548 56.048 0.396 0.000 1.401 478 H CB 1.238 31.167 29.762 0.279 0.000 1.461 478 H HN 0.356 nan 8.280 nan 0.000 0.588 479 G N 0.092 109.216 108.800 0.541 0.000 2.533 479 G HA2 0.439 4.399 3.960 -0.000 0.000 0.304 479 G HA3 0.439 4.399 3.960 -0.000 0.000 0.304 479 G C -0.724 174.381 174.900 0.342 0.000 1.263 479 G CA -0.781 44.598 45.100 0.466 0.000 0.964 479 G HN 0.482 nan 8.290 nan 0.000 0.479 480 V N 0.457 120.521 119.914 0.250 0.000 2.470 480 V HA 0.290 4.410 4.120 -0.000 0.000 0.276 480 V C -0.182 176.061 176.094 0.247 0.000 1.040 480 V CA -0.587 61.834 62.300 0.201 0.000 1.008 480 V CB 0.709 32.595 31.823 0.106 0.000 0.990 480 V HN 0.536 nan 8.190 nan 0.000 0.477 481 F N 5.832 125.839 119.950 0.094 0.000 2.467 481 F HA 0.727 5.254 4.527 -0.000 0.000 0.349 481 F C 0.640 176.481 175.800 0.068 0.000 1.182 481 F CA -0.772 57.277 58.000 0.082 0.000 1.279 481 F CB -0.415 38.628 39.000 0.072 0.000 1.626 481 F HN 0.686 nan 8.300 nan 0.000 0.596 482 A N 3.311 125.971 122.820 -0.266 0.000 2.529 482 A HA 0.272 4.592 4.320 -0.000 0.000 0.269 482 A C 0.651 177.981 177.584 -0.422 0.000 1.509 482 A CA -0.409 51.414 52.037 -0.358 0.000 0.857 482 A CB -0.337 18.600 19.000 -0.104 0.000 1.531 482 A HN 0.600 nan 8.150 nan 0.000 0.541 483 F N -1.391 118.377 119.950 -0.303 0.000 2.641 483 F HA 0.179 4.706 4.527 -0.000 0.000 0.298 483 F C 0.447 176.224 175.800 -0.039 0.000 1.146 483 F CA 1.023 58.932 58.000 -0.152 0.000 1.464 483 F CB -0.027 38.939 39.000 -0.057 0.000 1.101 483 F HN 0.194 nan 8.300 nan 0.000 0.585 484 L N 0.280 121.549 121.223 0.077 0.000 2.406 484 L HA 0.403 4.743 4.340 -0.000 0.000 0.272 484 L C -1.056 175.886 176.870 0.120 0.000 0.980 484 L CA -0.854 54.046 54.840 0.100 0.000 0.831 484 L CB 1.886 44.009 42.059 0.107 0.000 1.253 484 L HN -0.264 nan 8.230 nan 0.000 0.406 485 V N 2.332 122.365 119.914 0.199 0.000 2.333 485 V HA 0.622 4.742 4.120 -0.000 0.000 0.274 485 V C -0.057 176.326 176.094 0.482 0.000 1.028 485 V CA 0.008 62.495 62.300 0.312 0.000 0.851 485 V CB 1.367 33.404 31.823 0.358 0.000 1.000 485 V HN 0.755 nan 8.190 nan 0.000 0.456 486 S N 7.323 123.214 115.700 0.318 0.000 2.646 486 S HA 0.616 5.086 4.470 -0.000 0.000 0.276 486 S C -2.566 171.974 174.600 -0.100 0.000 1.222 486 S CA -0.935 57.339 58.200 0.125 0.000 1.014 486 S CB 1.323 64.520 63.200 -0.005 0.000 0.991 486 S HN 0.807 nan 8.310 nan 0.000 0.533 487 P HA 0.174 nan 4.420 nan 0.000 0.275 487 P C -0.573 176.563 177.300 -0.273 0.000 1.227 487 P CA -0.464 62.103 63.100 -0.888 0.000 0.781 487 P CB 0.278 31.320 31.700 -1.096 0.000 0.906 488 S N 3.358 118.990 115.700 -0.113 0.000 2.563 488 S HA 0.159 4.629 4.470 -0.000 0.000 0.284 488 S C -2.210 172.372 174.600 -0.031 0.000 1.331 488 S CA -1.015 57.163 58.200 -0.037 0.000 1.047 488 S CB -1.166 62.043 63.200 0.015 0.000 0.859 488 S HN 0.317 nan 8.310 nan 0.000 0.514 489 P HA 0.134 nan 4.420 nan 0.000 0.258 489 P C -0.815 176.447 177.300 -0.064 0.000 1.172 489 P CA 0.342 63.367 63.100 -0.126 0.000 0.762 489 P CB -0.249 31.377 31.700 -0.123 0.000 0.764 490 Y N 0.444 120.630 120.300 -0.190 0.000 2.576 490 Y HA 0.663 5.213 4.550 -0.000 0.000 0.346 490 Y C -0.269 175.502 175.900 -0.215 0.000 1.018 490 Y CA -1.443 56.544 58.100 -0.188 0.000 1.050 490 Y CB 1.659 39.995 38.460 -0.205 0.000 1.280 490 Y HN 0.372 nan 8.280 nan 0.000 0.474 491 E N 4.199 124.321 120.200 -0.130 0.000 2.244 491 E HA 0.706 5.056 4.350 -0.000 0.000 0.266 491 E C -1.298 175.229 176.600 -0.122 0.000 0.914 491 E CA -1.164 55.081 56.400 -0.257 0.000 0.794 491 E CB 2.994 32.566 29.700 -0.214 0.000 1.210 491 E HN 0.902 nan 8.360 nan 0.000 0.414 492 L N -1.220 119.826 121.223 -0.294 0.000 2.327 492 L HA 0.789 5.129 4.340 -0.000 0.000 0.258 492 L C -1.256 175.489 176.870 -0.210 0.000 1.024 492 L CA -1.072 53.671 54.840 -0.162 0.000 0.825 492 L CB 2.070 44.096 42.059 -0.055 0.000 1.386 492 L HN 0.669 nan 8.230 nan 0.000 0.417 493 C N 1.899 121.187 119.300 -0.019 0.000 2.341 493 C HA 0.846 5.305 4.460 -0.000 0.000 0.338 493 C C 0.655 175.710 174.990 0.108 0.000 1.257 493 C CA -0.280 58.768 59.018 0.051 0.000 1.883 493 C CB 0.839 28.614 27.740 0.057 0.000 2.334 493 C HN 0.874 nan 8.230 nan 0.000 0.524 494 A N 3.030 125.925 122.820 0.125 0.000 2.273 494 A HA 0.741 5.061 4.320 -0.000 0.000 0.315 494 A C -0.468 177.167 177.584 0.084 0.000 1.256 494 A CA -0.300 51.711 52.037 -0.043 0.000 0.851 494 A CB 0.432 19.319 19.000 -0.187 0.000 1.172 494 A HN 1.121 nan 8.150 nan 0.000 0.508 495 V N 1.189 121.161 119.914 0.096 0.000 2.604 495 V HA 0.650 4.770 4.120 -0.000 0.000 0.305 495 V C -2.815 173.385 176.094 0.177 0.000 1.043 495 V CA -2.522 59.877 62.300 0.165 0.000 0.888 495 V CB 1.390 33.261 31.823 0.081 0.000 0.995 495 V HN 0.629 nan 8.190 nan 0.000 0.429 496 P HA 0.366 nan 4.420 nan 0.000 0.274 496 P C -0.423 176.861 177.300 -0.027 0.000 1.264 496 P CA -0.214 62.878 63.100 -0.013 0.000 0.795 496 P CB 0.536 32.221 31.700 -0.025 0.000 1.064 497 R N 0.000 120.459 120.500 -0.069 0.000 2.786 497 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 497 R CA 0.000 56.070 56.100 -0.049 0.000 0.921 497 R CB 0.000 30.262 30.300 -0.064 0.000 0.687 497 R HN 0.000 nan 8.270 nan 0.000 0.535