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_B DATA FIRST_RESID 34 DATA SEQUENCE PPGPLPXXXX XXXXXXXXXN 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 0.000 176.985 177.300 -0.525 0.000 1.155 34 P CA 0.000 62.791 63.100 -0.516 0.000 0.800 34 P CB 0.000 31.577 31.700 -0.205 0.000 0.726 35 P HA 0.054 nan 4.420 nan 0.000 0.283 35 P C 0.724 177.765 177.300 -0.432 0.000 1.799 35 P CA 1.977 64.883 63.100 -0.323 0.000 1.596 35 P CB -0.170 31.417 31.700 -0.189 0.000 0.399 36 G N -2.941 105.273 108.800 -0.976 0.000 2.692 36 G HA2 0.024 3.983 3.960 -0.001 0.000 0.686 36 G HA3 0.024 3.983 3.960 -0.001 0.000 0.686 36 G C -3.029 171.341 174.900 -0.884 0.000 1.243 36 G CA -0.463 43.899 45.100 -1.231 0.000 0.782 36 G HN 0.532 nan 8.290 nan 0.000 0.625 37 P HA 0.674 nan 4.420 nan 0.000 0.279 37 P C -0.237 177.071 177.300 0.014 0.000 1.252 37 P CA -0.520 62.580 63.100 -0.001 0.000 0.811 37 P CB 1.286 33.067 31.700 0.135 0.000 1.035 38 L N 2.262 123.527 121.223 0.071 0.000 2.333 38 L HA 0.611 4.951 4.340 -0.001 0.000 0.269 38 L C -1.468 175.444 176.870 0.069 0.000 1.010 38 L CA -1.578 53.295 54.840 0.055 0.000 0.818 38 L CB 0.951 43.034 42.059 0.041 0.000 1.306 38 L HN 0.423 nan 8.230 nan 0.000 0.430 54 T N -1.310 113.251 114.554 0.011 0.000 2.969 54 T HA 0.371 4.720 4.350 -0.001 0.000 0.258 54 T C -1.866 172.452 174.700 -0.637 0.000 0.962 54 T CA 0.090 62.002 62.100 -0.314 0.000 0.903 54 T CB 0.210 68.888 68.868 -0.316 0.000 1.177 54 T HN 0.315 nan 8.240 nan 0.000 0.511 55 P HA 0.172 nan 4.420 nan 0.000 0.216 55 P C 0.902 178.022 177.300 -0.299 0.000 1.151 55 P CA 0.634 63.443 63.100 -0.486 0.000 0.863 55 P CB -0.265 31.044 31.700 -0.652 0.000 0.790 56 Y N -0.077 120.077 120.300 -0.244 0.000 2.298 56 Y HA -0.224 4.325 4.550 -0.001 0.000 0.287 56 Y C 2.922 178.773 175.900 -0.082 0.000 1.164 56 Y CA 1.096 59.116 58.100 -0.132 0.000 1.229 56 Y CB -1.560 36.808 38.460 -0.153 0.000 0.977 56 Y HN 0.119 nan 8.280 nan 0.000 0.538 57 C N -0.340 118.960 119.300 0.000 0.000 2.489 57 C HA -0.194 4.265 4.460 -0.001 0.000 0.279 57 C C 2.635 177.706 174.990 0.135 0.000 1.266 57 C CA 0.779 59.805 59.018 0.014 0.000 1.707 57 C CB -1.453 26.249 27.740 -0.063 0.000 2.059 57 C HN 0.578 nan 8.230 nan 0.000 0.481 58 F N 0.623 120.617 119.950 0.072 0.000 2.307 58 F HA -0.138 4.388 4.527 -0.001 0.000 0.301 58 F C 2.236 178.107 175.800 0.119 0.000 1.076 58 F CA 1.179 59.273 58.000 0.157 0.000 1.383 58 F CB -0.327 38.803 39.000 0.217 0.000 1.055 58 F HN 0.343 nan 8.300 nan 0.000 0.526 59 D N 0.034 120.580 120.400 0.242 0.000 2.178 59 D HA -0.150 4.489 4.640 -0.001 0.000 0.201 59 D C 2.148 178.518 176.300 0.115 0.000 0.980 59 D CA 1.055 55.150 54.000 0.157 0.000 0.842 59 D CB 0.001 40.859 40.800 0.096 0.000 0.948 59 D HN 0.148 nan 8.370 nan 0.000 0.472 60 Q N -0.186 119.668 119.800 0.090 0.000 2.016 60 Q HA -0.058 4.281 4.340 -0.001 0.000 0.200 60 Q C 2.605 178.599 176.000 -0.010 0.000 0.978 60 Q CA 0.654 56.478 55.803 0.036 0.000 0.833 60 Q CB -0.579 28.176 28.738 0.029 0.000 0.895 60 Q HN 0.351 nan 8.270 nan 0.000 0.427 61 L N 0.645 121.835 121.223 -0.054 0.000 2.079 61 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 61 L C 2.688 179.410 176.870 -0.247 0.000 1.081 61 L CA 1.424 56.102 54.840 -0.269 0.000 0.752 61 L CB -0.524 41.062 42.059 -0.787 0.000 0.896 61 L HN 0.174 nan 8.230 nan 0.000 0.433 62 R N 0.806 121.290 120.500 -0.028 0.000 2.080 62 R HA -0.203 4.136 4.340 -0.001 0.000 0.236 62 R C 2.270 178.632 176.300 0.104 0.000 1.137 62 R CA 1.887 58.101 56.100 0.190 0.000 0.943 62 R CB -0.294 30.152 30.300 0.244 0.000 0.846 62 R HN 0.326 nan 8.270 nan 0.000 0.431 63 R N 0.512 121.043 120.500 0.052 0.000 2.325 63 R HA -0.032 4.307 4.340 -0.001 0.000 0.214 63 R C 1.439 177.713 176.300 -0.044 0.000 0.961 63 R CA 0.877 56.989 56.100 0.019 0.000 1.086 63 R CB -0.001 30.314 30.300 0.025 0.000 1.037 63 R HN 0.270 nan 8.270 nan 0.000 0.493 64 R N -1.147 119.295 120.500 -0.096 0.000 2.412 64 R HA 0.158 4.498 4.340 -0.001 0.000 0.212 64 R C 0.234 176.276 176.300 -0.430 0.000 0.878 64 R CA 0.064 55.998 56.100 -0.276 0.000 1.022 64 R CB 0.310 30.400 30.300 -0.350 0.000 1.265 64 R HN 0.221 nan 8.270 nan 0.000 0.620 65 F N 0.476 120.381 119.950 -0.076 0.000 2.746 65 F HA 0.455 4.982 4.527 -0.001 0.000 0.320 65 F C 0.810 176.642 175.800 0.054 0.000 1.097 65 F CA 0.364 58.339 58.000 -0.041 0.000 1.195 65 F CB 1.848 40.776 39.000 -0.120 0.000 1.056 65 F HN 0.324 nan 8.300 nan 0.000 0.562 66 G N 0.752 109.685 108.800 0.221 0.000 2.698 66 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.225 66 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.225 66 G C -0.017 175.045 174.900 0.269 0.000 1.345 66 G CA -0.115 45.113 45.100 0.213 0.000 0.871 66 G HN 0.067 nan 8.290 nan 0.000 0.540 67 D N -0.738 119.784 120.400 0.203 0.000 2.103 67 D HA 0.047 4.686 4.640 -0.001 0.000 0.199 67 D C 1.655 178.001 176.300 0.077 0.000 0.978 67 D CA 1.803 55.892 54.000 0.147 0.000 0.829 67 D CB -0.189 40.665 40.800 0.090 0.000 0.981 67 D HN 0.492 nan 8.370 nan 0.000 0.464 68 V N 2.228 122.192 119.914 0.083 0.000 2.432 68 V HA 0.371 4.490 4.120 -0.001 0.000 0.275 68 V C -0.061 175.981 176.094 -0.087 0.000 1.043 68 V CA -0.506 61.752 62.300 -0.070 0.000 0.925 68 V CB 0.089 31.946 31.823 0.057 0.000 0.985 68 V HN 0.054 nan 8.190 nan 0.000 0.466 69 F N 1.518 121.331 119.950 -0.227 0.000 2.685 69 F HA 0.836 5.362 4.527 -0.002 0.000 0.315 69 F C -0.408 175.188 175.800 -0.341 0.000 1.126 69 F CA -0.924 56.876 58.000 -0.334 0.000 0.950 69 F CB 1.789 40.604 39.000 -0.308 0.000 1.360 69 F HN 0.221 nan 8.300 nan 0.000 0.469 70 S N 1.811 117.475 115.700 -0.060 0.000 2.451 70 S HA 0.711 5.180 4.470 -0.001 0.000 0.301 70 S C -1.051 173.544 174.600 -0.009 0.000 1.116 70 S CA -0.489 57.650 58.200 -0.103 0.000 1.093 70 S CB 1.244 64.350 63.200 -0.157 0.000 1.017 70 S HN 0.474 nan 8.310 nan 0.000 0.482 71 L N 3.098 124.328 121.223 0.011 0.000 2.334 71 L HA 0.482 4.822 4.340 -0.001 0.000 0.275 71 L C 0.748 177.653 176.870 0.058 0.000 1.036 71 L CA 0.402 55.278 54.840 0.061 0.000 0.807 71 L CB 0.743 42.869 42.059 0.112 0.000 1.231 71 L HN 0.817 nan 8.230 nan 0.000 0.438 72 Q N 1.126 120.986 119.800 0.099 0.000 2.481 72 Q HA -0.246 4.094 4.340 -0.001 0.000 0.272 72 Q C 1.242 177.336 176.000 0.158 0.000 1.157 72 Q CA 0.467 56.379 55.803 0.183 0.000 0.935 72 Q CB -1.151 27.695 28.738 0.181 0.000 1.338 72 Q HN 0.632 nan 8.270 nan 0.000 0.494 73 L N -0.872 120.389 121.223 0.063 0.000 2.030 73 L HA -0.369 3.970 4.340 -0.001 0.000 0.222 73 L C 2.175 179.047 176.870 0.003 0.000 1.082 73 L CA 2.263 57.107 54.840 0.007 0.000 0.785 73 L CB -0.601 41.435 42.059 -0.039 0.000 0.895 73 L HN 0.642 nan 8.230 nan 0.000 0.439 74 A N -1.773 121.037 122.820 -0.016 0.000 2.067 74 A HA -0.165 4.155 4.320 -0.001 0.000 0.219 74 A C 1.394 178.778 177.584 -0.333 0.000 1.158 74 A CA 1.087 53.003 52.037 -0.201 0.000 0.661 74 A CB -0.459 18.356 19.000 -0.309 0.000 0.801 74 A HN 0.515 nan 8.150 nan 0.000 0.452 75 W N 0.223 121.519 121.300 -0.006 0.000 3.099 75 W HA 0.260 4.919 4.660 -0.001 0.000 0.369 75 W C 0.840 177.357 176.519 -0.004 0.000 1.932 75 W CA 1.210 58.554 57.345 -0.002 0.000 1.419 75 W CB -0.982 28.480 29.460 0.003 0.000 1.829 75 W HN 0.077 nan 8.180 nan 0.000 0.500 76 T N 0.062 114.783 114.554 0.278 0.000 2.779 76 T HA 0.419 4.768 4.350 -0.001 0.000 0.280 76 T C -2.496 172.266 174.700 0.103 0.000 0.987 76 T CA -2.390 59.790 62.100 0.134 0.000 0.966 76 T CB 1.416 70.343 68.868 0.099 0.000 0.933 76 T HN -0.159 nan 8.240 nan 0.000 0.442 77 P HA 0.249 nan 4.420 nan 0.000 0.267 77 P C -0.737 176.566 177.300 0.006 0.000 1.205 77 P CA -0.336 62.777 63.100 0.021 0.000 0.765 77 P CB 0.795 32.486 31.700 -0.015 0.000 0.828 78 V N 4.665 124.578 119.914 -0.003 0.000 2.495 78 V HA 0.265 4.385 4.120 -0.001 0.000 0.298 78 V C 0.285 176.324 176.094 -0.092 0.000 1.031 78 V CA -0.721 61.566 62.300 -0.023 0.000 0.871 78 V CB 2.259 34.092 31.823 0.016 0.000 0.988 78 V HN 0.268 nan 8.190 nan 0.000 0.432 79 V N 5.513 125.343 119.914 -0.140 0.000 2.459 79 V HA 0.484 4.603 4.120 -0.001 0.000 0.295 79 V C -0.252 175.625 176.094 -0.363 0.000 1.029 79 V CA -0.615 61.535 62.300 -0.249 0.000 0.874 79 V CB 2.034 33.737 31.823 -0.201 0.000 0.985 79 V HN 0.606 nan 8.190 nan 0.000 0.438 80 V N 6.426 125.944 119.914 -0.660 0.000 2.370 80 V HA 0.451 4.570 4.120 -0.001 0.000 0.283 80 V C -0.155 175.492 176.094 -0.745 0.000 1.023 80 V CA -0.494 61.298 62.300 -0.846 0.000 0.857 80 V CB 1.319 32.234 31.823 -1.514 0.000 0.985 80 V HN 0.623 nan 8.190 nan 0.000 0.443 81 L N 4.928 125.887 121.223 -0.439 0.000 2.289 81 L HA 0.541 4.880 4.340 -0.001 0.000 0.285 81 L C 1.000 177.737 176.870 -0.222 0.000 1.049 81 L CA -0.045 54.624 54.840 -0.284 0.000 0.804 81 L CB 0.882 42.825 42.059 -0.194 0.000 1.195 81 L HN 0.619 nan 8.230 nan 0.000 0.428 82 N N 1.606 120.218 118.700 -0.147 0.000 2.529 82 N HA 0.068 4.807 4.740 -0.001 0.000 0.231 82 N C 0.826 176.326 175.510 -0.017 0.000 1.072 82 N CA 0.204 53.214 53.050 -0.068 0.000 0.854 82 N CB 0.558 39.038 38.487 -0.011 0.000 1.465 82 N HN 0.702 nan 8.380 nan 0.000 0.452 83 G N 1.759 110.556 108.800 -0.006 0.000 2.732 83 G HA2 0.092 4.051 3.960 -0.001 0.000 0.244 83 G HA3 0.092 4.051 3.960 -0.001 0.000 0.244 83 G C 1.135 176.029 174.900 -0.010 0.000 1.226 83 G CA -0.277 44.824 45.100 0.001 0.000 0.860 83 G HN 0.151 nan 8.290 nan 0.000 0.583 84 L N 1.527 122.746 121.223 -0.007 0.000 2.056 84 L HA 0.036 4.375 4.340 -0.001 0.000 0.207 84 L C 2.920 179.782 176.870 -0.014 0.000 1.078 84 L CA 2.778 57.613 54.840 -0.009 0.000 0.749 84 L CB -0.863 41.186 42.059 -0.017 0.000 0.901 84 L HN 0.602 nan 8.230 nan 0.000 0.433 85 A N 0.039 122.850 122.820 -0.015 0.000 1.892 85 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 85 A C 2.497 180.077 177.584 -0.006 0.000 1.188 85 A CA 2.438 54.469 52.037 -0.011 0.000 0.631 85 A CB -1.410 17.585 19.000 -0.008 0.000 0.822 85 A HN 0.653 nan 8.150 nan 0.000 0.447 86 A N -0.925 121.890 122.820 -0.007 0.000 1.902 86 A HA 0.034 4.353 4.320 -0.001 0.000 0.217 86 A C 2.240 179.804 177.584 -0.033 0.000 1.181 86 A CA 1.805 53.834 52.037 -0.013 0.000 0.623 86 A CB -0.846 18.140 19.000 -0.023 0.000 0.818 86 A HN 0.424 nan 8.150 nan 0.000 0.443 87 V N -0.308 119.580 119.914 -0.043 0.000 2.379 87 V HA -0.184 3.935 4.120 -0.001 0.000 0.245 87 V C 2.622 178.690 176.094 -0.043 0.000 1.044 87 V CA 1.957 64.220 62.300 -0.061 0.000 1.036 87 V CB -0.749 31.039 31.823 -0.058 0.000 0.664 87 V HN 0.515 nan 8.190 nan 0.000 0.453 88 R N -0.156 120.332 120.500 -0.020 0.000 2.073 88 R HA -0.202 4.137 4.340 -0.001 0.000 0.234 88 R C 2.415 178.716 176.300 0.001 0.000 1.134 88 R CA 1.903 57.998 56.100 -0.008 0.000 0.952 88 R CB -0.256 30.041 30.300 -0.005 0.000 0.850 88 R HN 0.621 nan 8.270 nan 0.000 0.433 89 E N -0.454 119.754 120.200 0.013 0.000 2.160 89 E HA -0.185 4.164 4.350 -0.001 0.000 0.195 89 E C 1.545 178.219 176.600 0.124 0.000 0.991 89 E CA 1.280 57.714 56.400 0.057 0.000 0.810 89 E CB 0.054 29.791 29.700 0.062 0.000 0.742 89 E HN 0.399 nan 8.360 nan 0.000 0.466 90 A N 0.017 122.865 122.820 0.047 0.000 1.943 90 A HA 0.075 4.395 4.320 -0.001 0.000 0.213 90 A C 1.963 179.552 177.584 0.008 0.000 1.181 90 A CA 0.346 52.402 52.037 0.031 0.000 0.653 90 A CB -0.012 18.953 19.000 -0.059 0.000 0.833 90 A HN 0.228 nan 8.150 nan 0.000 0.451 91 L N -0.922 120.281 121.223 -0.034 0.000 2.357 91 L HA 0.033 4.372 4.340 -0.001 0.000 0.211 91 L C 2.107 178.975 176.870 -0.002 0.000 1.075 91 L CA 0.369 55.177 54.840 -0.053 0.000 0.830 91 L CB -0.053 41.943 42.059 -0.105 0.000 0.996 91 L HN 0.218 nan 8.230 nan 0.000 0.467 92 V N -1.217 118.699 119.914 0.002 0.000 2.398 92 V HA -0.107 4.012 4.120 -0.001 0.000 0.236 92 V C 2.422 178.504 176.094 -0.021 0.000 1.054 92 V CA 1.762 64.064 62.300 0.003 0.000 1.060 92 V CB -0.743 31.082 31.823 0.003 0.000 0.707 92 V HN 0.264 nan 8.190 nan 0.000 0.480 93 T N 0.172 114.697 114.554 -0.048 0.000 2.597 93 T HA -0.227 4.122 4.350 -0.001 0.000 0.267 93 T C 1.413 175.963 174.700 -0.250 0.000 1.053 93 T CA 1.968 63.970 62.100 -0.163 0.000 1.165 93 T CB -0.429 68.317 68.868 -0.204 0.000 0.863 93 T HN 0.536 nan 8.240 nan 0.000 0.427 94 H N 0.015 119.074 119.070 -0.019 0.000 2.507 94 H HA 0.353 4.908 4.556 -0.001 0.000 0.294 94 H C 2.113 177.422 175.328 -0.033 0.000 1.064 94 H CA 0.064 56.100 56.048 -0.020 0.000 1.138 94 H CB -0.243 29.505 29.762 -0.024 0.000 1.515 94 H HN 0.425 nan 8.280 nan 0.000 0.547 95 G N 1.218 110.045 108.800 0.045 0.000 2.485 95 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.221 95 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.221 95 G C 1.656 176.534 174.900 -0.037 0.000 1.115 95 G CA 0.757 45.864 45.100 0.013 0.000 0.751 95 G HN 0.313 nan 8.290 nan 0.000 0.567 96 E N 0.545 120.736 120.200 -0.016 0.000 2.107 96 E HA -0.040 4.309 4.350 -0.001 0.000 0.191 96 E C 1.580 178.075 176.600 -0.176 0.000 0.982 96 E CA 0.930 57.298 56.400 -0.053 0.000 0.809 96 E CB 0.003 29.755 29.700 0.087 0.000 0.756 96 E HN 0.298 nan 8.360 nan 0.000 0.459 97 D N -1.049 119.322 120.400 -0.049 0.000 2.340 97 D HA -0.008 4.631 4.640 -0.001 0.000 0.220 97 D C 0.635 176.885 176.300 -0.084 0.000 1.039 97 D CA 0.978 54.958 54.000 -0.034 0.000 0.866 97 D CB 0.515 41.346 40.800 0.051 0.000 0.913 97 D HN 0.259 nan 8.370 nan 0.000 0.523 98 T N -3.353 111.130 114.554 -0.119 0.000 3.231 98 T HA 0.430 4.779 4.350 -0.001 0.000 0.292 98 T C 1.128 175.788 174.700 -0.067 0.000 1.001 98 T CA -0.321 61.738 62.100 -0.069 0.000 0.920 98 T CB 0.542 69.395 68.868 -0.026 0.000 1.140 98 T HN -0.051 nan 8.240 nan 0.000 0.525 99 A N 0.727 123.335 122.820 -0.354 0.000 2.337 99 A HA 0.411 4.730 4.320 -0.001 0.000 0.227 99 A C 0.515 177.689 177.584 -0.684 0.000 1.259 99 A CA -0.288 51.432 52.037 -0.528 0.000 0.870 99 A CB -0.294 18.280 19.000 -0.711 0.000 0.927 99 A HN 0.504 nan 8.150 nan 0.000 0.497 100 D N -0.200 119.943 120.400 -0.428 0.000 2.348 100 D HA 0.496 5.135 4.640 -0.001 0.000 0.249 100 D C -0.073 176.056 176.300 -0.285 0.000 1.110 100 D CA -0.262 53.569 54.000 -0.281 0.000 0.967 100 D CB 0.751 41.500 40.800 -0.086 0.000 1.139 100 D HN 0.026 nan 8.370 nan 0.000 0.466 101 R N 1.189 121.554 120.500 -0.225 0.000 2.445 101 R HA 0.532 4.871 4.340 -0.001 0.000 0.308 101 R C -2.462 173.787 176.300 -0.086 0.000 0.961 101 R CA -2.182 53.802 56.100 -0.193 0.000 0.862 101 R CB 1.601 31.783 30.300 -0.198 0.000 1.144 101 R HN 0.273 nan 8.270 nan 0.000 0.447 102 P HA 0.199 nan 4.420 nan 0.000 0.275 102 P C -2.457 174.837 177.300 -0.009 0.000 1.227 102 P CA -1.217 61.873 63.100 -0.017 0.000 0.781 102 P CB 0.171 31.872 31.700 0.002 0.000 0.906 103 P HA 0.031 nan 4.420 nan 0.000 0.268 103 P C -0.719 176.577 177.300 -0.006 0.000 1.208 103 P CA 0.262 63.361 63.100 -0.001 0.000 0.777 103 P CB 0.382 32.084 31.700 0.003 0.000 0.875 104 V N -1.476 118.421 119.914 -0.028 0.000 2.971 104 V HA 0.403 4.522 4.120 -0.001 0.000 0.309 104 V C -2.308 173.712 176.094 -0.124 0.000 1.130 104 V CA -2.263 60.008 62.300 -0.048 0.000 0.964 104 V CB 1.648 33.440 31.823 -0.051 0.000 1.029 104 V HN 0.177 nan 8.190 nan 0.000 0.427 105 P HA 0.069 nan 4.420 nan 0.000 0.225 105 P C 1.570 178.598 177.300 -0.454 0.000 1.148 105 P CA 1.013 63.970 63.100 -0.237 0.000 0.779 105 P CB 0.113 31.723 31.700 -0.150 0.000 0.780 106 I N -0.088 120.133 120.570 -0.582 0.000 2.113 106 I HA -0.355 3.814 4.170 -0.001 0.000 0.242 106 I C 2.524 178.272 176.117 -0.615 0.000 1.064 106 I CA 2.426 63.360 61.300 -0.609 0.000 1.320 106 I CB -1.647 36.087 38.000 -0.444 0.000 1.028 106 I HN 0.129 nan 8.210 nan 0.000 0.406 107 T N -1.179 113.029 114.554 -0.577 0.000 2.635 107 T HA -0.353 3.996 4.350 -0.001 0.000 0.267 107 T C 1.858 176.261 174.700 -0.496 0.000 1.040 107 T CA 1.977 63.609 62.100 -0.781 0.000 1.156 107 T CB -0.680 68.060 68.868 -0.214 0.000 0.863 107 T HN 0.462 nan 8.240 nan 0.000 0.430 108 Q N 0.363 120.000 119.800 -0.272 0.000 2.084 108 Q HA -0.012 4.327 4.340 -0.001 0.000 0.202 108 Q C 2.461 178.359 176.000 -0.169 0.000 0.978 108 Q CA 1.543 57.253 55.803 -0.154 0.000 0.844 108 Q CB -0.315 28.359 28.738 -0.107 0.000 0.898 108 Q HN 0.702 nan 8.270 nan 0.000 0.426 109 I N 0.464 120.888 120.570 -0.242 0.000 2.226 109 I HA -0.280 3.889 4.170 -0.001 0.000 0.245 109 I C 1.706 177.722 176.117 -0.169 0.000 1.100 109 I CA 0.969 62.149 61.300 -0.200 0.000 1.374 109 I CB -0.076 37.761 38.000 -0.271 0.000 1.057 109 I HN 0.272 nan 8.210 nan 0.000 0.413 110 L N 0.880 121.949 121.223 -0.256 0.000 2.650 110 L HA 0.131 4.470 4.340 -0.001 0.000 0.235 110 L C 1.083 177.952 176.870 -0.002 0.000 1.149 110 L CA 0.149 54.898 54.840 -0.153 0.000 0.887 110 L CB -0.951 40.956 42.059 -0.253 0.000 1.021 110 L HN 0.451 nan 8.230 nan 0.000 0.441 111 G N 0.031 108.818 108.800 -0.021 0.000 2.370 111 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.293 111 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.293 111 G C 0.474 175.511 174.900 0.227 0.000 0.992 111 G CA 0.143 45.286 45.100 0.071 0.000 1.247 111 G HN 0.319 nan 8.290 nan 0.000 0.505 112 F N 0.815 120.757 119.950 -0.014 0.000 2.061 112 F HA 0.296 4.822 4.527 -0.001 0.000 0.283 112 F C 2.344 178.144 175.800 -0.001 0.000 1.218 112 F CA 1.005 59.003 58.000 -0.005 0.000 1.123 112 F CB -0.362 38.639 39.000 0.001 0.000 1.004 112 F HN 0.920 nan 8.300 nan 0.000 0.493 113 G N 0.526 109.463 108.800 0.229 0.000 2.562 113 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.250 113 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.250 113 G C -1.969 172.965 174.900 0.058 0.000 1.269 113 G CA -0.208 44.957 45.100 0.108 0.000 0.919 113 G HN 0.265 nan 8.290 nan 0.000 0.574 114 P HA -0.150 nan 4.420 nan 0.000 0.206 114 P C 1.001 178.304 177.300 0.005 0.000 1.142 114 P CA 2.550 65.661 63.100 0.018 0.000 0.946 114 P CB -0.199 31.508 31.700 0.011 0.000 0.777 115 R N -0.786 119.705 120.500 -0.015 0.000 2.881 115 R HA 0.452 4.792 4.340 -0.001 0.000 0.331 115 R C -0.636 175.623 176.300 -0.069 0.000 1.207 115 R CA -0.250 55.828 56.100 -0.037 0.000 1.265 115 R CB -0.274 30.006 30.300 -0.033 0.000 1.351 115 R HN 0.001 nan 8.270 nan 0.000 0.613 116 S N 0.434 116.075 115.700 -0.099 0.000 2.701 116 S HA 0.162 4.632 4.470 -0.001 0.000 0.228 116 S C -0.629 173.732 174.600 -0.398 0.000 0.948 116 S CA -0.751 57.345 58.200 -0.174 0.000 1.129 116 S CB 0.498 63.639 63.200 -0.099 0.000 1.352 116 S HN 0.475 nan 8.310 nan 0.000 0.446 117 Q N 0.226 119.793 119.800 -0.389 0.000 2.359 117 Q HA 0.784 5.123 4.340 -0.001 0.000 0.275 117 Q C 0.941 176.726 176.000 -0.359 0.000 1.082 117 Q CA -1.111 54.312 55.803 -0.633 0.000 0.849 117 Q CB 0.962 29.615 28.738 -0.141 0.000 1.377 117 Q HN 0.277 nan 8.270 nan 0.000 0.452 118 G N -0.187 108.460 108.800 -0.256 0.000 3.197 118 G HA2 0.211 4.170 3.960 -0.001 0.000 0.167 118 G HA3 0.211 4.170 3.960 -0.001 0.000 0.167 118 G C 0.452 175.424 174.900 0.120 0.000 1.914 118 G CA 0.246 45.326 45.100 -0.033 0.000 0.956 118 G HN 0.371 nan 8.290 nan 0.000 0.480 119 V N -1.393 118.665 119.914 0.241 0.000 3.054 119 V HA 0.209 4.328 4.120 -0.001 0.000 0.227 119 V C 2.074 178.433 176.094 0.442 0.000 1.252 119 V CA 0.342 62.860 62.300 0.362 0.000 1.279 119 V CB -0.809 31.171 31.823 0.262 0.000 1.118 119 V HN 0.368 nan 8.190 nan 0.000 0.504 120 F N 1.441 121.540 119.950 0.248 0.000 2.045 120 F HA -0.236 4.290 4.527 -0.001 0.000 0.297 120 F C 1.752 177.646 175.800 0.157 0.000 1.114 120 F CA 2.297 60.420 58.000 0.205 0.000 1.207 120 F CB -0.004 39.107 39.000 0.185 0.000 0.964 120 F HN 0.027 nan 8.300 nan 0.000 0.486 121 L N -0.842 120.616 121.223 0.391 0.000 2.640 121 L HA 0.353 4.692 4.340 -0.001 0.000 0.230 121 L C 0.896 177.886 176.870 0.200 0.000 1.123 121 L CA -0.215 54.777 54.840 0.254 0.000 0.900 121 L CB -0.840 41.420 42.059 0.335 0.000 1.146 121 L HN 0.046 nan 8.230 nan 0.000 0.484 122 A N 1.064 124.013 122.820 0.215 0.000 2.466 122 A HA 0.294 4.614 4.320 -0.001 0.000 0.238 122 A C 0.352 177.969 177.584 0.054 0.000 1.074 122 A CA 0.022 52.170 52.037 0.184 0.000 0.774 122 A CB 0.175 19.346 19.000 0.285 0.000 1.015 122 A HN 0.323 nan 8.150 nan 0.000 0.498 123 R N 0.160 120.698 120.500 0.064 0.000 2.410 123 R HA 0.178 4.517 4.340 -0.001 0.000 0.288 123 R C -0.770 175.544 176.300 0.023 0.000 1.051 123 R CA -0.513 55.589 56.100 0.003 0.000 1.021 123 R CB 0.592 30.910 30.300 0.029 0.000 1.032 123 R HN 0.714 nan 8.270 nan 0.000 0.481 124 Y N 1.656 121.820 120.300 -0.227 0.000 2.852 124 Y HA 0.098 4.648 4.550 -0.001 0.000 0.343 124 Y C 0.499 176.399 175.900 -0.000 0.000 1.280 124 Y CA 1.428 59.413 58.100 -0.192 0.000 1.604 124 Y CB -0.179 38.143 38.460 -0.231 0.000 1.216 124 Y HN 0.779 nan 8.280 nan 0.000 0.541 125 G N 5.806 114.518 108.800 -0.145 0.000 2.313 125 G HA2 0.150 4.109 3.960 -0.001 0.000 0.296 125 G HA3 0.150 4.109 3.960 -0.001 0.000 0.296 125 G C -2.519 172.374 174.900 -0.013 0.000 1.356 125 G CA -0.529 44.477 45.100 -0.158 0.000 0.833 125 G HN 0.231 nan 8.290 nan 0.000 0.552 126 P HA -0.202 nan 4.420 nan 0.000 0.216 126 P C 2.232 179.548 177.300 0.026 0.000 1.167 126 P CA 2.986 66.086 63.100 -0.001 0.000 0.914 126 P CB -0.223 31.469 31.700 -0.014 0.000 0.793 127 A N -0.694 122.144 122.820 0.030 0.000 1.881 127 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 127 A C 2.308 179.931 177.584 0.066 0.000 1.215 127 A CA 2.458 54.507 52.037 0.019 0.000 0.648 127 A CB -2.106 16.913 19.000 0.032 0.000 0.832 127 A HN 0.374 nan 8.150 nan 0.000 0.455 128 W N 0.200 121.488 121.300 -0.019 0.000 2.418 128 W HA -0.085 4.574 4.660 -0.001 0.000 0.292 128 W C 2.406 178.953 176.519 0.046 0.000 1.213 128 W CA 1.635 58.995 57.345 0.025 0.000 1.283 128 W CB -0.128 29.375 29.460 0.071 0.000 1.119 128 W HN 0.239 nan 8.180 nan 0.000 0.542 129 R N 0.313 120.857 120.500 0.074 0.000 2.070 129 R HA -0.182 4.157 4.340 -0.001 0.000 0.233 129 R C 2.221 178.412 176.300 -0.182 0.000 1.137 129 R CA 1.761 57.786 56.100 -0.125 0.000 0.945 129 R CB -0.804 29.561 30.300 0.109 0.000 0.845 129 R HN 0.182 nan 8.270 nan 0.000 0.430 130 E N 0.253 120.396 120.200 -0.094 0.000 2.164 130 E HA -0.261 4.088 4.350 -0.001 0.000 0.206 130 E C 1.909 178.434 176.600 -0.124 0.000 1.032 130 E CA 1.512 57.856 56.400 -0.094 0.000 0.832 130 E CB 0.086 29.693 29.700 -0.156 0.000 0.742 130 E HN 0.343 nan 8.360 nan 0.000 0.460 131 Q N -0.899 118.779 119.800 -0.204 0.000 2.392 131 Q HA 0.079 4.418 4.340 -0.001 0.000 0.219 131 Q C 2.041 177.968 176.000 -0.121 0.000 0.895 131 Q CA 0.026 55.748 55.803 -0.136 0.000 0.929 131 Q CB 0.252 28.907 28.738 -0.138 0.000 1.077 131 Q HN 0.168 nan 8.270 nan 0.000 0.532 132 R N 0.685 120.948 120.500 -0.395 0.000 2.057 132 R HA -0.034 4.305 4.340 -0.001 0.000 0.229 132 R C 2.067 178.252 176.300 -0.193 0.000 1.136 132 R CA 0.896 56.743 56.100 -0.422 0.000 0.952 132 R CB 0.109 29.867 30.300 -0.904 0.000 0.848 132 R HN 0.006 nan 8.270 nan 0.000 0.430 133 R N -0.002 120.399 120.500 -0.165 0.000 2.168 133 R HA -0.250 4.090 4.340 -0.001 0.000 0.242 133 R C 2.073 178.398 176.300 0.041 0.000 1.123 133 R CA 2.656 58.732 56.100 -0.039 0.000 0.928 133 R CB -0.901 29.398 30.300 -0.003 0.000 0.873 133 R HN 0.268 nan 8.270 nan 0.000 0.434 134 F N 0.369 120.315 119.950 -0.006 0.000 2.102 134 F HA -0.194 4.332 4.527 -0.001 0.000 0.298 134 F C 2.176 178.019 175.800 0.071 0.000 1.105 134 F CA 2.043 60.092 58.000 0.081 0.000 1.239 134 F CB -0.316 38.802 39.000 0.197 0.000 0.991 134 F HN -0.005 nan 8.300 nan 0.000 0.474 135 S N 0.221 115.874 115.700 -0.079 0.000 2.383 135 S HA -0.162 4.308 4.470 -0.001 0.000 0.227 135 S C 2.284 176.791 174.600 -0.155 0.000 1.026 135 S CA 1.285 59.389 58.200 -0.160 0.000 0.981 135 S CB -0.681 62.548 63.200 0.049 0.000 0.818 135 S HN 0.495 nan 8.310 nan 0.000 0.472 136 V N 0.168 120.022 119.914 -0.101 0.000 2.358 136 V HA -0.076 4.043 4.120 -0.001 0.000 0.246 136 V C 2.056 178.088 176.094 -0.102 0.000 1.047 136 V CA 2.054 64.306 62.300 -0.079 0.000 1.035 136 V CB -1.211 30.581 31.823 -0.051 0.000 0.658 136 V HN 0.350 nan 8.190 nan 0.000 0.452 137 S N 0.716 116.343 115.700 -0.121 0.000 2.365 137 S HA -0.218 4.251 4.470 -0.001 0.000 0.225 137 S C 2.011 176.508 174.600 -0.171 0.000 1.039 137 S CA 2.477 60.603 58.200 -0.123 0.000 1.033 137 S CB -0.735 62.401 63.200 -0.106 0.000 0.887 137 S HN 0.838 nan 8.310 nan 0.000 0.447 138 T N 2.432 116.802 114.554 -0.307 0.000 2.777 138 T HA 0.084 4.433 4.350 -0.001 0.000 0.266 138 T C 1.717 176.328 174.700 -0.149 0.000 1.040 138 T CA 0.874 62.793 62.100 -0.302 0.000 1.141 138 T CB -0.287 68.236 68.868 -0.575 0.000 0.868 138 T HN 0.270 nan 8.240 nan 0.000 0.444 139 L N 0.163 121.313 121.223 -0.120 0.000 2.217 139 L HA 0.056 4.395 4.340 -0.001 0.000 0.211 139 L C 2.814 179.648 176.870 -0.060 0.000 1.107 139 L CA 0.986 55.791 54.840 -0.058 0.000 0.783 139 L CB -0.401 41.639 42.059 -0.033 0.000 0.919 139 L HN 0.131 nan 8.230 nan 0.000 0.442 140 R N -0.168 120.290 120.500 -0.070 0.000 2.119 140 R HA -0.040 4.299 4.340 -0.001 0.000 0.222 140 R C 2.008 178.269 176.300 -0.064 0.000 1.088 140 R CA 0.778 56.841 56.100 -0.061 0.000 0.984 140 R CB -0.071 30.197 30.300 -0.053 0.000 0.884 140 R HN 0.409 nan 8.270 nan 0.000 0.447 141 N N 0.781 119.440 118.700 -0.068 0.000 2.142 141 N HA -0.104 4.636 4.740 -0.001 0.000 0.186 141 N C 1.776 177.241 175.510 -0.075 0.000 1.023 141 N CA 1.092 54.105 53.050 -0.061 0.000 0.852 141 N CB -0.045 38.410 38.487 -0.052 0.000 0.998 141 N HN 0.196 nan 8.380 nan 0.000 0.424 142 L N 0.059 121.231 121.223 -0.085 0.000 2.341 142 L HA 0.110 4.450 4.340 -0.001 0.000 0.214 142 L C 2.347 179.111 176.870 -0.177 0.000 1.115 142 L CA 0.512 55.270 54.840 -0.137 0.000 0.820 142 L CB -0.539 41.461 42.059 -0.098 0.000 0.944 142 L HN 0.147 nan 8.230 nan 0.000 0.452 143 G N 0.432 109.163 108.800 -0.115 0.000 2.484 143 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.215 143 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.215 143 G C 1.387 176.221 174.900 -0.111 0.000 1.219 143 G CA 0.492 45.531 45.100 -0.102 0.000 0.791 143 G HN 0.008 nan 8.290 nan 0.000 0.550 144 L N 0.209 121.378 121.223 -0.091 0.000 2.292 144 L HA 0.251 4.590 4.340 -0.001 0.000 0.196 144 L C 2.867 179.684 176.870 -0.088 0.000 1.246 144 L CA 1.557 56.350 54.840 -0.079 0.000 0.864 144 L CB -1.984 40.040 42.059 -0.059 0.000 1.044 144 L HN 0.417 nan 8.230 nan 0.000 0.504 145 G N 0.971 109.727 108.800 -0.073 0.000 2.985 145 G HA2 -0.410 3.549 3.960 -0.001 0.000 0.362 145 G HA3 -0.410 3.549 3.960 -0.001 0.000 0.362 145 G C 0.938 175.797 174.900 -0.068 0.000 1.381 145 G CA 1.302 46.361 45.100 -0.068 0.000 1.360 145 G HN 0.476 nan 8.290 nan 0.000 0.810 146 K N 0.609 120.953 120.400 -0.093 0.000 3.239 146 K HA 0.389 4.708 4.320 -0.001 0.000 0.204 146 K C 0.315 176.837 176.600 -0.130 0.000 1.126 146 K CA 0.138 56.372 56.287 -0.087 0.000 0.948 146 K CB 0.714 33.176 32.500 -0.063 0.000 0.818 146 K HN 0.554 nan 8.250 nan 0.000 0.480 147 K N -1.005 119.311 120.400 -0.140 0.000 3.185 147 K HA -0.292 4.027 4.320 -0.001 0.000 0.298 147 K C 1.027 177.447 176.600 -0.301 0.000 1.178 147 K CA 0.815 57.001 56.287 -0.168 0.000 0.882 147 K CB -1.672 30.759 32.500 -0.114 0.000 1.218 147 K HN 0.193 nan 8.250 nan 0.000 0.454 148 S N 1.007 116.463 115.700 -0.406 0.000 2.427 148 S HA -0.201 4.268 4.470 -0.001 0.000 0.231 148 S C 1.762 175.644 174.600 -1.197 0.000 1.045 148 S CA 1.829 59.535 58.200 -0.823 0.000 1.154 148 S CB -0.161 62.574 63.200 -0.775 0.000 1.093 148 S HN 0.356 nan 8.310 nan 0.000 0.422 149 L N 0.939 121.660 121.223 -0.837 0.000 2.043 149 L HA -0.215 4.124 4.340 -0.001 0.000 0.212 149 L C 2.703 179.439 176.870 -0.224 0.000 1.075 149 L CA 1.688 56.266 54.840 -0.435 0.000 0.752 149 L CB -0.511 41.449 42.059 -0.165 0.000 0.891 149 L HN 0.466 nan 8.230 nan 0.000 0.432 150 E N -0.575 119.498 120.200 -0.212 0.000 2.077 150 E HA -0.260 4.089 4.350 -0.001 0.000 0.193 150 E C 2.238 178.782 176.600 -0.093 0.000 0.989 150 E CA 1.127 57.460 56.400 -0.112 0.000 0.800 150 E CB 0.076 29.723 29.700 -0.088 0.000 0.746 150 E HN 0.455 nan 8.360 nan 0.000 0.452 151 Q N -0.488 119.207 119.800 -0.174 0.000 2.020 151 Q HA -0.186 4.154 4.340 -0.001 0.000 0.202 151 Q C 2.004 178.056 176.000 0.086 0.000 0.982 151 Q CA 1.631 57.390 55.803 -0.074 0.000 0.838 151 Q CB -0.213 28.448 28.738 -0.127 0.000 0.899 151 Q HN 0.478 nan 8.270 nan 0.000 0.423 152 W N -0.074 121.232 121.300 0.010 0.000 2.321 152 W HA -0.159 4.500 4.660 -0.001 0.000 0.306 152 W C 2.108 178.644 176.519 0.027 0.000 1.217 152 W CA 0.595 57.953 57.345 0.022 0.000 1.257 152 W CB -1.168 28.308 29.460 0.027 0.000 1.145 152 W HN 0.029 nan 8.180 nan 0.000 0.509 153 V N 0.607 120.641 119.914 0.199 0.000 2.244 153 V HA -0.291 3.828 4.120 -0.001 0.000 0.244 153 V C 2.310 178.372 176.094 -0.053 0.000 1.042 153 V CA 2.769 65.082 62.300 0.021 0.000 1.006 153 V CB -1.595 30.163 31.823 -0.108 0.000 0.641 153 V HN 0.128 nan 8.190 nan 0.000 0.446 154 T N 1.261 115.798 114.554 -0.028 0.000 2.737 154 T HA -0.274 4.075 4.350 -0.001 0.000 0.269 154 T C 1.658 176.388 174.700 0.050 0.000 1.040 154 T CA 1.952 64.044 62.100 -0.013 0.000 1.142 154 T CB -0.472 68.401 68.868 0.008 0.000 0.861 154 T HN 0.855 nan 8.240 nan 0.000 0.456 155 E N 1.349 121.603 120.200 0.090 0.000 2.152 155 E HA -0.118 4.232 4.350 -0.001 0.000 0.192 155 E C 2.115 178.801 176.600 0.143 0.000 0.983 155 E CA 0.890 57.353 56.400 0.105 0.000 0.818 155 E CB -0.223 29.541 29.700 0.108 0.000 0.758 155 E HN 0.338 nan 8.360 nan 0.000 0.467 156 E N 1.504 121.826 120.200 0.204 0.000 2.150 156 E HA -0.085 4.264 4.350 -0.001 0.000 0.193 156 E C 1.951 178.827 176.600 0.461 0.000 0.985 156 E CA 1.405 58.008 56.400 0.338 0.000 0.814 156 E CB -0.289 29.685 29.700 0.456 0.000 0.752 156 E HN 0.382 nan 8.360 nan 0.000 0.466 157 A N 0.488 123.531 122.820 0.371 0.000 1.933 157 A HA -0.038 4.281 4.320 -0.001 0.000 0.218 157 A C 2.378 180.093 177.584 0.218 0.000 1.175 157 A CA 1.836 54.100 52.037 0.378 0.000 0.628 157 A CB -0.793 18.280 19.000 0.121 0.000 0.814 157 A HN 0.338 nan 8.150 nan 0.000 0.444 158 A N -1.013 121.889 122.820 0.136 0.000 1.930 158 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 158 A C 2.289 179.908 177.584 0.057 0.000 1.175 158 A CA 1.601 53.673 52.037 0.058 0.000 0.627 158 A CB -1.158 17.871 19.000 0.047 0.000 0.815 158 A HN 0.593 nan 8.150 nan 0.000 0.443 159 C N -1.363 117.993 119.300 0.095 0.000 2.462 159 C HA -0.045 4.414 4.460 -0.001 0.000 0.278 159 C C 2.483 177.588 174.990 0.191 0.000 1.253 159 C CA 1.001 60.051 59.018 0.053 0.000 1.713 159 C CB -1.414 26.306 27.740 -0.033 0.000 2.049 159 C HN 0.655 nan 8.230 nan 0.000 0.477 160 L N 1.052 122.471 121.223 0.326 0.000 2.013 160 L HA -0.196 4.143 4.340 -0.001 0.000 0.212 160 L C 2.500 179.533 176.870 0.272 0.000 1.073 160 L CA 1.957 57.012 54.840 0.358 0.000 0.753 160 L CB -1.078 41.122 42.059 0.235 0.000 0.890 160 L HN 0.445 nan 8.230 nan 0.000 0.432 161 C N -0.919 118.484 119.300 0.172 0.000 2.413 161 C HA -0.146 4.314 4.460 -0.001 0.000 0.276 161 C C 2.977 178.148 174.990 0.301 0.000 1.248 161 C CA 0.642 59.787 59.018 0.211 0.000 1.742 161 C CB -1.611 26.047 27.740 -0.136 0.000 2.017 161 C HN 0.739 nan 8.230 nan 0.000 0.481 162 A N 0.553 123.471 122.820 0.164 0.000 1.877 162 A HA 0.013 4.332 4.320 -0.001 0.000 0.216 162 A C 2.390 180.091 177.584 0.194 0.000 1.186 162 A CA 2.240 54.361 52.037 0.139 0.000 0.620 162 A CB -1.048 17.982 19.000 0.050 0.000 0.822 162 A HN 0.584 nan 8.150 nan 0.000 0.443 163 A N -1.205 121.765 122.820 0.250 0.000 1.908 163 A HA -0.051 4.268 4.320 -0.001 0.000 0.218 163 A C 1.965 179.699 177.584 0.250 0.000 1.181 163 A CA 1.711 53.912 52.037 0.273 0.000 0.627 163 A CB -0.780 18.500 19.000 0.467 0.000 0.818 163 A HN 0.442 nan 8.150 nan 0.000 0.445 164 F N 0.163 120.146 119.950 0.054 0.000 2.095 164 F HA -0.126 4.400 4.527 -0.001 0.000 0.298 164 F C 2.836 178.558 175.800 -0.130 0.000 1.104 164 F CA 0.912 58.828 58.000 -0.140 0.000 1.232 164 F CB -0.825 37.946 39.000 -0.381 0.000 0.987 164 F HN 0.259 nan 8.300 nan 0.000 0.475 165 A N -0.138 122.889 122.820 0.344 0.000 1.972 165 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 165 A C 1.927 179.598 177.584 0.144 0.000 1.169 165 A CA 1.900 54.172 52.037 0.391 0.000 0.635 165 A CB -1.164 18.097 19.000 0.435 0.000 0.810 165 A HN 0.551 nan 8.150 nan 0.000 0.446 166 N N -1.455 117.272 118.700 0.046 0.000 2.520 166 N HA -0.137 4.602 4.740 -0.001 0.000 0.185 166 N C 0.842 176.209 175.510 -0.238 0.000 1.068 166 N CA 0.623 53.619 53.050 -0.091 0.000 0.911 166 N CB -0.195 38.214 38.487 -0.131 0.000 0.961 166 N HN 0.683 nan 8.380 nan 0.000 0.446 167 H N -0.048 118.893 119.070 -0.215 0.000 2.547 167 H HA 0.192 4.747 4.556 -0.001 0.000 0.266 167 H C 0.250 175.515 175.328 -0.104 0.000 0.988 167 H CA 0.090 55.974 56.048 -0.273 0.000 1.147 167 H CB 0.351 29.717 29.762 -0.660 0.000 1.365 167 H HN -0.060 nan 8.280 nan 0.000 0.589 168 S N 0.255 115.977 115.700 0.038 0.000 3.477 168 S HA -0.236 4.233 4.470 -0.001 0.000 0.371 168 S C 1.746 176.398 174.600 0.087 0.000 0.965 168 S CA 0.624 58.861 58.200 0.063 0.000 1.239 168 S CB -1.836 61.381 63.200 0.029 0.000 0.918 168 S HN 1.010 nan 8.310 nan 0.000 0.498 169 G N 0.131 109.003 108.800 0.119 0.000 2.238 169 G HA2 -0.401 3.558 3.960 -0.001 0.000 0.270 169 G HA3 -0.401 3.558 3.960 -0.001 0.000 0.270 169 G C 0.250 175.219 174.900 0.115 0.000 0.977 169 G CA 0.757 45.930 45.100 0.121 0.000 0.639 169 G HN 0.636 nan 8.290 nan 0.000 0.544 170 R N 1.439 122.006 120.500 0.112 0.000 2.522 170 R HA 0.244 4.584 4.340 -0.001 0.000 0.284 170 R C -1.923 174.479 176.300 0.171 0.000 1.032 170 R CA -1.342 54.824 56.100 0.110 0.000 1.049 170 R CB 0.268 30.619 30.300 0.085 0.000 0.956 170 R HN 0.280 nan 8.270 nan 0.000 0.422 171 P HA 0.154 nan 4.420 nan 0.000 0.275 171 P C -0.882 176.495 177.300 0.129 0.000 1.228 171 P CA 0.089 63.246 63.100 0.095 0.000 0.786 171 P CB 0.446 32.152 31.700 0.011 0.000 0.927 172 F N -0.581 119.220 119.950 -0.248 0.000 2.741 172 F HA 0.640 5.166 4.527 -0.001 0.000 0.313 172 F C -0.930 174.641 175.800 -0.381 0.000 1.153 172 F CA -1.508 56.279 58.000 -0.356 0.000 0.931 172 F CB 1.449 40.036 39.000 -0.688 0.000 1.335 172 F HN 0.238 nan 8.300 nan 0.000 0.460 173 R N 1.060 121.317 120.500 -0.405 0.000 2.393 173 R HA 0.488 4.828 4.340 -0.001 0.000 0.310 173 R C -2.672 173.337 176.300 -0.485 0.000 0.968 173 R CA -1.669 54.065 56.100 -0.609 0.000 0.867 173 R CB 1.644 31.641 30.300 -0.505 0.000 1.124 173 R HN 0.463 nan 8.270 nan 0.000 0.450 174 P HA -0.007 nan 4.420 nan 0.000 0.245 174 P C 0.030 177.249 177.300 -0.134 0.000 1.212 174 P CA 0.276 63.194 63.100 -0.304 0.000 0.774 174 P CB 0.120 31.669 31.700 -0.252 0.000 0.999 175 N N 0.829 119.397 118.700 -0.220 0.000 2.043 175 N HA -0.131 4.608 4.740 -0.001 0.000 0.193 175 N C 2.085 177.528 175.510 -0.112 0.000 1.037 175 N CA 1.917 54.871 53.050 -0.160 0.000 0.851 175 N CB -0.967 37.397 38.487 -0.204 0.000 1.027 175 N HN 0.212 nan 8.380 nan 0.000 0.422 176 G N 1.952 110.684 108.800 -0.113 0.000 2.418 176 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.217 176 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.217 176 G C 1.749 176.579 174.900 -0.116 0.000 1.158 176 G CA 0.301 45.333 45.100 -0.114 0.000 0.771 176 G HN 0.153 nan 8.290 nan 0.000 0.545 177 L N -0.175 121.010 121.223 -0.063 0.000 2.046 177 L HA 0.005 4.345 4.340 -0.001 0.000 0.208 177 L C 2.919 179.761 176.870 -0.048 0.000 1.077 177 L CA 0.548 55.362 54.840 -0.045 0.000 0.747 177 L CB -0.338 41.798 42.059 0.128 0.000 0.896 177 L HN 0.197 nan 8.230 nan 0.000 0.432 178 L N -0.562 120.663 121.223 0.003 0.000 2.083 178 L HA -0.249 4.090 4.340 -0.001 0.000 0.209 178 L C 2.225 179.041 176.870 -0.089 0.000 1.083 178 L CA 1.079 55.890 54.840 -0.048 0.000 0.752 178 L CB -0.622 41.430 42.059 -0.012 0.000 0.899 178 L HN 0.314 nan 8.230 nan 0.000 0.433 179 D N 0.217 120.566 120.400 -0.085 0.000 2.117 179 D HA -0.159 4.481 4.640 -0.001 0.000 0.198 179 D C 2.173 178.438 176.300 -0.059 0.000 0.982 179 D CA 1.206 55.161 54.000 -0.074 0.000 0.828 179 D CB -0.020 40.715 40.800 -0.108 0.000 0.967 179 D HN 0.324 nan 8.370 nan 0.000 0.464 180 K N 0.915 121.232 120.400 -0.138 0.000 2.057 180 K HA -0.032 4.287 4.320 -0.001 0.000 0.206 180 K C 2.201 178.882 176.600 0.135 0.000 1.050 180 K CA 1.102 57.356 56.287 -0.056 0.000 0.935 180 K CB -0.060 32.205 32.500 -0.391 0.000 0.715 180 K HN 0.003 nan 8.250 nan 0.000 0.439 181 A N 1.114 123.909 122.820 -0.041 0.000 1.845 181 A HA -0.145 4.175 4.320 -0.001 0.000 0.215 181 A C 2.413 180.073 177.584 0.127 0.000 1.195 181 A CA 1.703 53.782 52.037 0.070 0.000 0.616 181 A CB -0.946 17.945 19.000 -0.182 0.000 0.832 181 A HN 0.057 nan 8.150 nan 0.000 0.443 182 V N 0.068 119.975 119.914 -0.011 0.000 2.282 182 V HA -0.284 3.835 4.120 -0.001 0.000 0.249 182 V C 2.781 178.990 176.094 0.192 0.000 1.057 182 V CA 2.463 64.834 62.300 0.118 0.000 1.032 182 V CB -1.141 30.721 31.823 0.066 0.000 0.645 182 V HN 0.554 nan 8.190 nan 0.000 0.447 183 S N 0.193 116.030 115.700 0.228 0.000 2.359 183 S HA -0.242 4.227 4.470 -0.001 0.000 0.224 183 S C 1.954 176.785 174.600 0.385 0.000 1.035 183 S CA 1.792 60.207 58.200 0.357 0.000 1.018 183 S CB -0.564 62.941 63.200 0.508 0.000 0.876 183 S HN 0.610 nan 8.310 nan 0.000 0.448 184 N N 1.130 120.075 118.700 0.410 0.000 2.104 184 N HA -0.082 4.657 4.740 -0.001 0.000 0.190 184 N C 1.654 177.258 175.510 0.156 0.000 1.024 184 N CA 0.986 54.200 53.050 0.272 0.000 0.853 184 N CB -0.751 37.889 38.487 0.254 0.000 1.008 184 N HN 0.203 nan 8.380 nan 0.000 0.424 185 V N 0.863 120.901 119.914 0.207 0.000 2.332 185 V HA -0.225 3.894 4.120 -0.001 0.000 0.248 185 V C 2.077 178.208 176.094 0.061 0.000 1.055 185 V CA 1.282 63.695 62.300 0.188 0.000 1.038 185 V CB -0.391 31.602 31.823 0.284 0.000 0.651 185 V HN 0.178 nan 8.190 nan 0.000 0.450 186 I N 0.591 121.135 120.570 -0.044 0.000 2.315 186 I HA -0.128 4.041 4.170 -0.001 0.000 0.248 186 I C 2.519 178.476 176.117 -0.266 0.000 1.117 186 I CA 1.530 62.663 61.300 -0.279 0.000 1.404 186 I CB -0.836 36.757 38.000 -0.680 0.000 1.071 186 I HN 0.193 nan 8.210 nan 0.000 0.419 187 A N -0.439 122.355 122.820 -0.043 0.000 1.933 187 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 187 A C 2.492 179.989 177.584 -0.146 0.000 1.175 187 A CA 2.149 54.287 52.037 0.169 0.000 0.628 187 A CB -0.836 18.392 19.000 0.382 0.000 0.814 187 A HN 0.410 nan 8.150 nan 0.000 0.444 188 S N -0.470 115.050 115.700 -0.300 0.000 2.355 188 S HA -0.127 4.342 4.470 -0.001 0.000 0.222 188 S C 1.815 175.921 174.600 -0.823 0.000 1.031 188 S CA 1.369 59.133 58.200 -0.727 0.000 0.993 188 S CB -0.426 62.205 63.200 -0.949 0.000 0.859 188 S HN 0.450 nan 8.310 nan 0.000 0.453 189 L N 1.867 122.850 121.223 -0.400 0.000 2.131 189 L HA -0.074 4.266 4.340 -0.001 0.000 0.210 189 L C 2.209 179.072 176.870 -0.012 0.000 1.092 189 L CA 2.092 56.888 54.840 -0.075 0.000 0.759 189 L CB -0.771 41.346 42.059 0.096 0.000 0.903 189 L HN 0.552 nan 8.230 nan 0.000 0.435 190 T N -7.583 106.953 114.554 -0.030 0.000 3.004 190 T HA 0.090 4.439 4.350 -0.001 0.000 0.266 190 T C 1.247 175.994 174.700 0.079 0.000 0.986 190 T CA 0.465 62.618 62.100 0.088 0.000 0.902 190 T CB -0.686 68.278 68.868 0.158 0.000 1.118 190 T HN 0.265 nan 8.240 nan 0.000 0.522 191 C N 0.499 119.737 119.300 -0.102 0.000 3.580 191 C HA 0.750 5.209 4.460 -0.001 0.000 0.337 191 C C 2.369 176.904 174.990 -0.758 0.000 1.412 191 C CA -0.103 58.730 59.018 -0.308 0.000 1.797 191 C CB -0.116 27.537 27.740 -0.146 0.000 2.470 191 C HN 0.829 nan 8.230 nan 0.000 0.691 192 G N 2.152 110.628 108.800 -0.539 0.000 2.900 192 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.223 192 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.223 192 G C 0.280 174.907 174.900 -0.455 0.000 1.293 192 G CA 0.412 45.244 45.100 -0.447 0.000 0.792 192 G HN 0.637 nan 8.290 nan 0.000 0.527 193 R N 1.418 121.627 120.500 -0.484 0.000 2.577 193 R HA 0.692 5.031 4.340 -0.001 0.000 0.269 193 R C 0.826 176.790 176.300 -0.561 0.000 1.084 193 R CA -0.107 55.691 56.100 -0.504 0.000 1.163 193 R CB 0.541 30.479 30.300 -0.605 0.000 1.100 193 R HN 0.800 nan 8.270 nan 0.000 0.547 194 R N 0.333 120.536 120.500 -0.494 0.000 2.700 194 R HA 0.421 4.761 4.340 -0.001 0.000 0.253 194 R C -1.161 174.751 176.300 -0.647 0.000 1.091 194 R CA -0.693 55.141 56.100 -0.443 0.000 1.104 194 R CB 0.912 31.083 30.300 -0.215 0.000 1.202 194 R HN 0.486 nan 8.270 nan 0.000 0.532 195 F N -0.104 119.620 119.950 -0.377 0.000 2.508 195 F HA 0.263 4.789 4.527 -0.001 0.000 0.325 195 F C 0.107 175.732 175.800 -0.292 0.000 1.090 195 F CA -1.088 56.632 58.000 -0.467 0.000 0.945 195 F CB 2.043 40.409 39.000 -1.056 0.000 1.156 195 F HN 0.525 nan 8.300 nan 0.000 0.463 196 E N 1.746 121.997 120.200 0.084 0.000 2.465 196 E HA -0.053 4.296 4.350 -0.001 0.000 0.260 196 E C 0.528 177.346 176.600 0.363 0.000 0.980 196 E CA 0.694 57.166 56.400 0.120 0.000 0.927 196 E CB 0.067 29.829 29.700 0.104 0.000 0.934 196 E HN 0.561 nan 8.360 nan 0.000 0.459 197 Y N 1.522 121.945 120.300 0.205 0.000 2.298 197 Y HA -0.260 4.289 4.550 -0.001 0.000 0.287 197 Y C 1.359 177.410 175.900 0.252 0.000 1.164 197 Y CA 0.723 59.012 58.100 0.315 0.000 1.229 197 Y CB 0.157 38.743 38.460 0.210 0.000 0.977 197 Y HN 0.530 nan 8.280 nan 0.000 0.538 198 D N -1.372 119.222 120.400 0.323 0.000 2.349 198 D HA -0.053 4.587 4.640 -0.001 0.000 0.214 198 D C 0.057 176.461 176.300 0.173 0.000 1.063 198 D CA -0.027 54.090 54.000 0.195 0.000 0.847 198 D CB -0.481 40.392 40.800 0.123 0.000 0.933 198 D HN -0.006 nan 8.370 nan 0.000 0.513 199 D N 1.384 121.926 120.400 0.236 0.000 2.389 199 D HA 0.011 4.650 4.640 -0.001 0.000 0.263 199 D C -1.406 174.982 176.300 0.146 0.000 1.255 199 D CA -1.725 52.395 54.000 0.199 0.000 0.914 199 D CB 1.490 42.451 40.800 0.268 0.000 1.116 199 D HN -0.080 nan 8.370 nan 0.000 0.502 200 P HA -0.173 nan 4.420 nan 0.000 0.217 200 P C 1.386 178.691 177.300 0.008 0.000 1.151 200 P CA 1.076 64.198 63.100 0.036 0.000 0.849 200 P CB 0.242 31.960 31.700 0.030 0.000 0.787 201 R N -1.874 118.633 120.500 0.011 0.000 2.092 201 R HA -0.081 4.259 4.340 -0.001 0.000 0.231 201 R C 2.335 178.550 176.300 -0.142 0.000 1.119 201 R CA 1.231 57.301 56.100 -0.050 0.000 0.970 201 R CB -1.181 29.106 30.300 -0.021 0.000 0.864 201 R HN 0.320 nan 8.270 nan 0.000 0.440 202 F N 1.327 121.046 119.950 -0.385 0.000 2.128 202 F HA -0.144 4.382 4.527 -0.001 0.000 0.295 202 F C 2.123 177.784 175.800 -0.233 0.000 1.100 202 F CA 0.907 58.603 58.000 -0.506 0.000 1.260 202 F CB -0.046 38.730 39.000 -0.373 0.000 1.009 202 F HN -0.107 nan 8.300 nan 0.000 0.476 203 L N 0.238 121.367 121.223 -0.158 0.000 2.042 203 L HA -0.254 4.085 4.340 -0.001 0.000 0.210 203 L C 2.645 179.410 176.870 -0.174 0.000 1.076 203 L CA 1.421 56.132 54.840 -0.214 0.000 0.749 203 L CB -0.819 41.185 42.059 -0.092 0.000 0.893 203 L HN 0.123 nan 8.230 nan 0.000 0.432 204 R N 0.297 120.729 120.500 -0.113 0.000 2.073 204 R HA -0.189 4.150 4.340 -0.001 0.000 0.234 204 R C 2.395 178.642 176.300 -0.089 0.000 1.134 204 R CA 1.555 57.607 56.100 -0.080 0.000 0.952 204 R CB -0.351 29.915 30.300 -0.056 0.000 0.850 204 R HN 0.221 nan 8.270 nan 0.000 0.433 205 L N 1.275 122.424 121.223 -0.124 0.000 1.990 205 L HA -0.225 4.114 4.340 -0.001 0.000 0.213 205 L C 2.215 178.992 176.870 -0.155 0.000 1.072 205 L CA 1.674 56.460 54.840 -0.091 0.000 0.755 205 L CB -0.373 41.602 42.059 -0.140 0.000 0.889 205 L HN 0.213 nan 8.230 nan 0.000 0.432 206 L N -0.813 120.245 121.223 -0.276 0.000 1.989 206 L HA -0.277 4.062 4.340 -0.001 0.000 0.211 206 L C 2.322 179.055 176.870 -0.228 0.000 1.071 206 L CA 1.903 56.565 54.840 -0.297 0.000 0.749 206 L CB -0.989 40.814 42.059 -0.427 0.000 0.890 206 L HN 0.394 nan 8.230 nan 0.000 0.431 207 D N 0.361 120.660 120.400 -0.168 0.000 2.127 207 D HA -0.236 4.404 4.640 -0.001 0.000 0.190 207 D C 2.335 178.610 176.300 -0.043 0.000 1.000 207 D CA 1.531 55.481 54.000 -0.084 0.000 0.839 207 D CB -0.096 40.696 40.800 -0.013 0.000 0.955 207 D HN 0.153 nan 8.370 nan 0.000 0.446 208 L N -0.159 121.058 121.223 -0.009 0.000 2.081 208 L HA -0.206 4.133 4.340 -0.001 0.000 0.212 208 L C 2.484 179.184 176.870 -0.284 0.000 1.080 208 L CA 1.316 56.181 54.840 0.042 0.000 0.754 208 L CB -0.472 41.665 42.059 0.130 0.000 0.893 208 L HN 0.140 nan 8.230 nan 0.000 0.433 209 A N -1.251 121.185 122.820 -0.641 0.000 2.016 209 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 209 A C 2.140 179.445 177.584 -0.466 0.000 1.162 209 A CA 0.954 52.383 52.037 -1.014 0.000 0.662 209 A CB -0.162 18.230 19.000 -1.013 0.000 0.812 209 A HN 0.342 nan 8.150 nan 0.000 0.450 210 Q N -0.618 119.004 119.800 -0.296 0.000 2.008 210 Q HA -0.084 4.256 4.340 -0.001 0.000 0.196 210 Q C 2.081 177.957 176.000 -0.206 0.000 0.973 210 Q CA 1.701 57.377 55.803 -0.212 0.000 0.826 210 Q CB -0.201 28.427 28.738 -0.183 0.000 0.894 210 Q HN 0.631 nan 8.270 nan 0.000 0.439 211 E N -0.421 119.642 120.200 -0.228 0.000 2.153 211 E HA -0.100 4.249 4.350 -0.001 0.000 0.194 211 E C 1.754 178.236 176.600 -0.198 0.000 0.988 211 E CA 1.414 57.620 56.400 -0.323 0.000 0.811 211 E CB -0.593 28.676 29.700 -0.719 0.000 0.746 211 E HN 0.404 nan 8.360 nan 0.000 0.466 212 G N 0.263 109.009 108.800 -0.089 0.000 2.432 212 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.219 212 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.219 212 G C 1.447 176.314 174.900 -0.055 0.000 1.135 212 G CA 0.857 45.951 45.100 -0.010 0.000 0.767 212 G HN 0.344 nan 8.290 nan 0.000 0.550 213 L N 0.297 121.450 121.223 -0.117 0.000 2.162 213 L HA 0.283 4.622 4.340 -0.001 0.000 0.205 213 L C 2.527 179.347 176.870 -0.083 0.000 1.086 213 L CA 1.659 56.438 54.840 -0.102 0.000 0.778 213 L CB -0.330 41.652 42.059 -0.128 0.000 0.928 213 L HN 0.139 nan 8.230 nan 0.000 0.446 214 K N -0.236 120.101 120.400 -0.104 0.000 2.147 214 K HA -0.187 4.132 4.320 -0.001 0.000 0.205 214 K C 1.740 178.296 176.600 -0.073 0.000 1.049 214 K CA 1.629 57.857 56.287 -0.099 0.000 0.936 214 K CB 0.039 32.461 32.500 -0.130 0.000 0.722 214 K HN 0.516 nan 8.250 nan 0.000 0.446 215 E N 0.484 120.654 120.200 -0.049 0.000 2.072 215 E HA -0.194 4.155 4.350 -0.001 0.000 0.191 215 E C 1.770 178.441 176.600 0.118 0.000 0.985 215 E CA 1.493 57.908 56.400 0.025 0.000 0.801 215 E CB 0.009 29.750 29.700 0.068 0.000 0.750 215 E HN 0.542 nan 8.360 nan 0.000 0.452 216 E N 1.064 121.311 120.200 0.079 0.000 2.285 216 E HA -0.080 4.269 4.350 -0.001 0.000 0.194 216 E C 2.024 178.672 176.600 0.081 0.000 0.997 216 E CA 1.100 57.578 56.400 0.130 0.000 0.845 216 E CB -0.079 29.634 29.700 0.022 0.000 0.782 216 E HN 0.142 nan 8.360 nan 0.000 0.491 217 S N 1.243 116.930 115.700 -0.021 0.000 2.423 217 S HA -0.032 4.437 4.470 -0.001 0.000 0.231 217 S C 2.163 176.688 174.600 -0.125 0.000 1.014 217 S CA 0.589 58.724 58.200 -0.108 0.000 0.965 217 S CB -0.650 62.496 63.200 -0.091 0.000 0.785 217 S HN 0.387 nan 8.310 nan 0.000 0.495 218 G N 1.557 110.293 108.800 -0.107 0.000 2.553 218 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.218 218 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.218 218 G C 1.089 175.838 174.900 -0.252 0.000 1.195 218 G CA 1.137 46.110 45.100 -0.213 0.000 0.779 218 G HN 0.568 nan 8.290 nan 0.000 0.577 219 F N 0.293 120.174 119.950 -0.115 0.000 2.234 219 F HA 0.138 4.664 4.527 -0.001 0.000 0.299 219 F C 2.565 178.279 175.800 -0.144 0.000 1.087 219 F CA 0.567 58.502 58.000 -0.109 0.000 1.340 219 F CB -0.130 38.811 39.000 -0.097 0.000 1.031 219 F HN 0.028 nan 8.300 nan 0.000 0.500 220 L N 0.108 121.309 121.223 -0.037 0.000 2.240 220 L HA -0.084 4.255 4.340 -0.001 0.000 0.211 220 L C 2.577 179.193 176.870 -0.423 0.000 1.106 220 L CA 0.755 55.447 54.840 -0.247 0.000 0.793 220 L CB -0.339 41.480 42.059 -0.401 0.000 0.927 220 L HN 0.160 nan 8.230 nan 0.000 0.446 221 R N -0.588 119.722 120.500 -0.316 0.000 2.112 221 R HA -0.075 4.264 4.340 -0.001 0.000 0.216 221 R C 1.697 177.993 176.300 -0.007 0.000 1.080 221 R CA 0.666 56.684 56.100 -0.138 0.000 0.996 221 R CB -0.380 29.908 30.300 -0.020 0.000 0.902 221 R HN 0.089 nan 8.270 nan 0.000 0.449 222 E N 1.129 121.303 120.200 -0.044 0.000 2.331 222 E HA -0.075 4.274 4.350 -0.001 0.000 0.199 222 E C 1.218 177.826 176.600 0.013 0.000 1.008 222 E CA 0.586 56.974 56.400 -0.019 0.000 0.843 222 E CB 0.098 29.767 29.700 -0.051 0.000 0.761 222 E HN 0.087 nan 8.360 nan 0.000 0.507 223 V N 0.966 120.889 119.914 0.015 0.000 3.570 223 V HA -0.034 4.085 4.120 -0.001 0.000 0.293 223 V C 0.410 176.547 176.094 0.073 0.000 1.237 223 V CA 0.621 62.943 62.300 0.035 0.000 1.226 223 V CB -0.464 31.371 31.823 0.020 0.000 1.028 223 V HN 0.255 nan 8.190 nan 0.000 0.430 224 L N 1.256 122.534 121.223 0.092 0.000 2.984 224 L HA 0.427 4.767 4.340 -0.001 0.000 0.246 224 L C 0.870 177.787 176.870 0.078 0.000 1.268 224 L CA -0.094 54.818 54.840 0.119 0.000 1.054 224 L CB -0.583 41.590 42.059 0.192 0.000 1.393 224 L HN 0.504 nan 8.230 nan 0.000 0.532 225 N N -0.008 118.719 118.700 0.044 0.000 2.602 225 N HA 0.063 4.802 4.740 -0.001 0.000 0.361 225 N C 0.448 175.961 175.510 0.005 0.000 1.005 225 N CA -0.141 52.919 53.050 0.016 0.000 1.784 225 N CB 0.340 38.818 38.487 -0.016 0.000 0.718 225 N HN 0.031 nan 8.380 nan 0.000 1.682 226 A N 2.228 125.039 122.820 -0.014 0.000 2.429 226 A HA 0.408 4.727 4.320 -0.001 0.000 0.242 226 A C 0.630 178.218 177.584 0.007 0.000 1.088 226 A CA -0.187 51.839 52.037 -0.019 0.000 0.784 226 A CB 0.250 19.227 19.000 -0.038 0.000 1.038 226 A HN 0.302 nan 8.150 nan 0.000 0.501 227 V N 2.719 122.639 119.914 0.010 0.000 2.872 227 V HA 0.085 4.204 4.120 -0.001 0.000 0.307 227 V C -0.776 175.330 176.094 0.019 0.000 1.072 227 V CA -0.565 61.747 62.300 0.021 0.000 1.148 227 V CB 0.181 32.020 31.823 0.025 0.000 0.954 227 V HN 0.994 nan 8.190 nan 0.000 0.490 228 P HA -0.178 nan 4.420 nan 0.000 0.218 228 P C 0.027 177.334 177.300 0.012 0.000 1.018 228 P CA 2.869 65.977 63.100 0.014 0.000 1.016 228 P CB -0.294 31.414 31.700 0.013 0.000 0.748 229 V N -5.609 114.312 119.914 0.012 0.000 2.540 229 V HA 0.356 4.475 4.120 -0.001 0.000 0.268 229 V C 0.548 176.647 176.094 0.008 0.000 1.799 229 V CA -0.018 62.288 62.300 0.010 0.000 0.802 229 V CB -0.633 31.188 31.823 -0.002 0.000 1.348 229 V HN 0.178 nan 8.190 nan 0.000 0.417 230 D N 2.633 123.039 120.400 0.010 0.000 2.430 230 D HA 0.506 5.146 4.640 -0.001 0.000 0.260 230 D C 1.743 178.048 176.300 0.008 0.000 1.244 230 D CA 3.067 57.073 54.000 0.010 0.000 0.986 230 D CB -0.439 40.367 40.800 0.010 0.000 0.925 230 D HN 2.785 nan 8.370 nan 0.000 0.506 231 R N -3.162 117.342 120.500 0.006 0.000 3.986 231 R HA -0.209 4.130 4.340 -0.001 0.000 0.379 231 R C 1.276 177.576 176.300 0.001 0.000 0.669 231 R CA 3.148 59.251 56.100 0.005 0.000 1.661 231 R CB -2.735 27.570 30.300 0.008 0.000 2.089 231 R HN 2.373 nan 8.270 nan 0.000 0.432 232 H N -1.480 117.591 119.070 0.001 0.000 2.448 232 H HA 0.894 5.449 4.556 -0.001 0.000 0.237 232 H C 0.916 176.243 175.328 -0.002 0.000 1.391 232 H CA 0.441 56.488 56.048 -0.001 0.000 1.477 232 H CB -0.472 29.291 29.762 0.003 0.000 1.520 232 H HN 1.946 nan 8.280 nan 0.000 0.502 233 I N 1.478 122.044 120.570 -0.008 0.000 2.993 233 I HA 0.467 4.636 4.170 -0.001 0.000 0.301 233 I C 0.289 176.405 176.117 -0.001 0.000 1.229 233 I CA -0.359 60.938 61.300 -0.005 0.000 1.435 233 I CB -0.641 37.347 38.000 -0.019 0.000 1.328 233 I HN 0.658 nan 8.210 nan 0.000 0.584 234 P HA 0.181 nan 4.420 nan 0.000 0.223 234 P C 1.434 178.737 177.300 0.005 0.000 1.144 234 P CA 3.421 66.526 63.100 0.008 0.000 0.783 234 P CB -0.376 31.331 31.700 0.012 0.000 0.771 235 A N -3.828 118.993 122.820 0.001 0.000 4.320 235 A HA -0.262 4.057 4.320 -0.001 0.000 0.253 235 A C 2.445 180.032 177.584 0.004 0.000 0.699 235 A CA 2.461 54.497 52.037 -0.002 0.000 1.188 235 A CB -2.369 16.630 19.000 -0.003 0.000 1.126 235 A HN 1.285 nan 8.150 nan 0.000 0.699 236 L N -1.447 119.780 121.223 0.008 0.000 2.187 236 L HA 0.381 4.721 4.340 -0.001 0.000 0.213 236 L C 3.001 179.883 176.870 0.021 0.000 1.100 236 L CA 2.940 57.787 54.840 0.012 0.000 0.765 236 L CB -2.357 39.708 42.059 0.011 0.000 0.904 236 L HN 2.080 nan 8.230 nan 0.000 0.437 237 A N 0.125 122.960 122.820 0.025 0.000 2.194 237 A HA 0.080 4.399 4.320 -0.001 0.000 0.220 237 A C 2.677 180.280 177.584 0.032 0.000 1.162 237 A CA 1.633 53.695 52.037 0.042 0.000 0.674 237 A CB -1.413 17.609 19.000 0.037 0.000 0.789 237 A HN 1.008 nan 8.150 nan 0.000 0.470 238 G N -0.125 108.684 108.800 0.014 0.000 2.586 238 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.218 238 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.218 238 G C 1.676 176.590 174.900 0.025 0.000 1.216 238 G CA 2.220 47.325 45.100 0.008 0.000 0.786 238 G HN 0.880 nan 8.290 nan 0.000 0.583 239 K N 0.110 120.528 120.400 0.030 0.000 2.589 239 K HA 0.175 4.494 4.320 -0.001 0.000 0.195 239 K C 2.210 178.851 176.600 0.069 0.000 1.042 239 K CA 1.616 57.928 56.287 0.042 0.000 0.940 239 K CB -0.711 31.809 32.500 0.034 0.000 0.776 239 K HN 0.363 nan 8.250 nan 0.000 0.487 240 V N -0.491 119.474 119.914 0.085 0.000 2.992 240 V HA 0.121 4.240 4.120 -0.001 0.000 0.250 240 V C 1.728 177.912 176.094 0.151 0.000 1.090 240 V CA 0.701 63.080 62.300 0.132 0.000 1.101 240 V CB 0.066 32.020 31.823 0.219 0.000 0.743 240 V HN 0.529 nan 8.190 nan 0.000 0.468 241 L N -0.119 121.166 121.223 0.103 0.000 2.872 241 L HA 0.270 4.610 4.340 -0.001 0.000 0.245 241 L C 2.092 179.030 176.870 0.113 0.000 1.211 241 L CA -0.098 54.798 54.840 0.094 0.000 1.013 241 L CB -0.236 41.827 42.059 0.007 0.000 1.326 241 L HN 0.251 nan 8.230 nan 0.000 0.525 242 R N 0.390 120.965 120.500 0.126 0.000 2.191 242 R HA -0.264 4.075 4.340 -0.001 0.000 0.248 242 R C 1.821 178.154 176.300 0.055 0.000 1.127 242 R CA 2.032 58.180 56.100 0.080 0.000 0.943 242 R CB -0.732 29.628 30.300 0.099 0.000 0.891 242 R HN 0.226 nan 8.270 nan 0.000 0.439 243 F N 0.676 120.631 119.950 0.008 0.000 2.259 243 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 243 F C 2.837 178.666 175.800 0.048 0.000 1.088 243 F CA 1.186 59.191 58.000 0.008 0.000 1.358 243 F CB -0.346 38.637 39.000 -0.028 0.000 1.040 243 F HN 0.009 nan 8.300 nan 0.000 0.505 244 Q N 1.171 121.105 119.800 0.224 0.000 2.079 244 Q HA -0.160 4.179 4.340 -0.001 0.000 0.200 244 Q C 1.898 178.012 176.000 0.190 0.000 0.974 244 Q CA 1.783 57.706 55.803 0.200 0.000 0.840 244 Q CB -0.249 28.561 28.738 0.121 0.000 0.898 244 Q HN 0.286 nan 8.270 nan 0.000 0.430 245 K N -0.518 119.943 120.400 0.101 0.000 2.155 245 K HA 0.025 4.344 4.320 -0.001 0.000 0.203 245 K C 1.991 178.605 176.600 0.023 0.000 1.052 245 K CA 0.998 57.314 56.287 0.049 0.000 0.948 245 K CB -0.170 32.339 32.500 0.015 0.000 0.728 245 K HN 0.219 nan 8.250 nan 0.000 0.448 246 A N 1.351 124.174 122.820 0.005 0.000 1.969 246 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 246 A C 1.927 179.526 177.584 0.026 0.000 1.169 246 A CA 0.869 52.877 52.037 -0.049 0.000 0.635 246 A CB -0.545 18.346 19.000 -0.181 0.000 0.810 246 A HN 0.348 nan 8.150 nan 0.000 0.445 247 F N 0.611 120.519 119.950 -0.069 0.000 2.259 247 F HA -0.012 4.515 4.527 -0.001 0.000 0.298 247 F C 1.723 177.482 175.800 -0.069 0.000 1.088 247 F CA 1.040 58.998 58.000 -0.071 0.000 1.358 247 F CB -0.257 38.719 39.000 -0.041 0.000 1.040 247 F HN 0.124 nan 8.300 nan 0.000 0.505 248 L N -0.476 120.649 121.223 -0.163 0.000 2.056 248 L HA -0.200 4.139 4.340 -0.001 0.000 0.207 248 L C 2.303 179.048 176.870 -0.208 0.000 1.078 248 L CA 1.776 56.461 54.840 -0.257 0.000 0.749 248 L CB -1.306 40.700 42.059 -0.088 0.000 0.901 248 L HN 0.088 nan 8.230 nan 0.000 0.433 249 T N -1.214 113.267 114.554 -0.121 0.000 2.833 249 T HA -0.247 4.102 4.350 -0.001 0.000 0.269 249 T C 1.868 176.506 174.700 -0.103 0.000 1.054 249 T CA 1.201 63.246 62.100 -0.092 0.000 1.135 249 T CB -0.099 68.731 68.868 -0.064 0.000 0.869 249 T HN 0.328 nan 8.240 nan 0.000 0.466 250 Q N 0.053 119.777 119.800 -0.126 0.000 2.137 250 Q HA 0.059 4.398 4.340 -0.001 0.000 0.198 250 Q C 2.287 178.200 176.000 -0.145 0.000 0.960 250 Q CA 0.655 56.392 55.803 -0.110 0.000 0.847 250 Q CB -0.108 28.582 28.738 -0.080 0.000 0.915 250 Q HN 0.501 nan 8.270 nan 0.000 0.448 251 L N 0.637 121.703 121.223 -0.262 0.000 1.976 251 L HA -0.217 4.122 4.340 -0.001 0.000 0.209 251 L C 2.282 179.072 176.870 -0.134 0.000 1.071 251 L CA 1.473 56.167 54.840 -0.244 0.000 0.746 251 L CB -0.743 41.079 42.059 -0.395 0.000 0.890 251 L HN 0.260 nan 8.230 nan 0.000 0.432 252 D N 0.242 120.557 120.400 -0.141 0.000 2.248 252 D HA -0.315 4.325 4.640 -0.001 0.000 0.191 252 D C 2.017 178.287 176.300 -0.050 0.000 1.013 252 D CA 2.189 56.135 54.000 -0.091 0.000 0.883 252 D CB 0.037 40.787 40.800 -0.084 0.000 0.915 252 D HN 0.599 nan 8.370 nan 0.000 0.448 253 E N -0.392 119.783 120.200 -0.042 0.000 2.086 253 E HA -0.093 4.256 4.350 -0.001 0.000 0.190 253 E C 2.604 179.213 176.600 0.015 0.000 0.975 253 E CA 0.249 56.643 56.400 -0.010 0.000 0.813 253 E CB -0.643 29.051 29.700 -0.011 0.000 0.768 253 E HN 0.353 nan 8.360 nan 0.000 0.457 254 L N 1.002 122.234 121.223 0.014 0.000 2.042 254 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 254 L C 2.705 179.620 176.870 0.075 0.000 1.076 254 L CA 1.324 56.199 54.840 0.058 0.000 0.749 254 L CB -0.515 41.590 42.059 0.076 0.000 0.893 254 L HN 0.297 nan 8.230 nan 0.000 0.432 255 L N -4.324 116.931 121.223 0.053 0.000 2.270 255 L HA 0.037 4.377 4.340 -0.001 0.000 0.210 255 L C 2.259 179.174 176.870 0.076 0.000 1.104 255 L CA 1.257 56.148 54.840 0.085 0.000 0.804 255 L CB -1.631 40.444 42.059 0.027 0.000 0.937 255 L HN -0.108 nan 8.230 nan 0.000 0.450 256 T N 0.877 115.457 114.554 0.042 0.000 2.759 256 T HA -0.184 4.166 4.350 -0.001 0.000 0.269 256 T C 1.670 176.417 174.700 0.078 0.000 1.042 256 T CA 1.945 64.072 62.100 0.045 0.000 1.140 256 T CB -0.249 68.634 68.868 0.026 0.000 0.864 256 T HN 0.788 nan 8.240 nan 0.000 0.455 257 E N -0.555 119.700 120.200 0.091 0.000 2.371 257 E HA -0.125 4.224 4.350 -0.001 0.000 0.194 257 E C 1.884 178.586 176.600 0.171 0.000 1.012 257 E CA 0.667 57.130 56.400 0.105 0.000 0.860 257 E CB -0.288 29.459 29.700 0.079 0.000 0.811 257 E HN 0.459 nan 8.360 nan 0.000 0.502 258 H N 2.249 121.349 119.070 0.049 0.000 2.395 258 H HA 0.082 4.637 4.556 -0.001 0.000 0.299 258 H C 2.060 177.460 175.328 0.119 0.000 1.070 258 H CA 1.573 57.658 56.048 0.063 0.000 1.356 258 H CB 0.002 29.782 29.762 0.030 0.000 1.401 258 H HN 0.095 nan 8.280 nan 0.000 0.524 259 R N -0.299 120.257 120.500 0.094 0.000 2.127 259 R HA -0.120 4.220 4.340 -0.001 0.000 0.238 259 R C 2.148 178.588 176.300 0.233 0.000 1.134 259 R CA 1.512 57.690 56.100 0.130 0.000 0.975 259 R CB -0.048 30.310 30.300 0.097 0.000 0.865 259 R HN 0.357 nan 8.270 nan 0.000 0.447 260 M N -0.932 118.768 119.600 0.168 0.000 2.132 260 M HA -0.127 4.352 4.480 -0.001 0.000 0.263 260 M C 2.077 178.459 176.300 0.136 0.000 1.065 260 M CA 1.780 57.160 55.300 0.133 0.000 1.122 260 M CB -0.224 32.436 32.600 0.100 0.000 1.365 260 M HN 0.110 nan 8.290 nan 0.000 0.411 261 T N -0.460 114.203 114.554 0.182 0.000 2.788 261 T HA -0.161 4.188 4.350 -0.001 0.000 0.268 261 T C 0.054 174.869 174.700 0.191 0.000 1.044 261 T CA 0.683 62.896 62.100 0.188 0.000 1.139 261 T CB -0.270 68.767 68.868 0.281 0.000 0.867 261 T HN 0.485 nan 8.240 nan 0.000 0.454 262 W N 3.667 124.960 121.300 -0.011 0.000 2.251 262 W HA 0.245 4.904 4.660 -0.001 0.000 0.327 262 W C -0.464 176.045 176.519 -0.016 0.000 1.361 262 W CA -1.268 56.047 57.345 -0.050 0.000 1.234 262 W CB 0.210 29.580 29.460 -0.151 0.000 1.212 262 W HN -0.096 nan 8.180 nan 0.000 0.557 263 D N 8.763 128.881 120.400 -0.470 0.000 2.411 263 D HA 0.147 4.786 4.640 -0.001 0.000 0.225 263 D C -1.182 174.521 176.300 -0.995 0.000 1.156 263 D CA -2.045 51.609 54.000 -0.576 0.000 0.874 263 D CB 1.516 42.180 40.800 -0.226 0.000 1.034 263 D HN 0.248 nan 8.370 nan 0.000 0.502 264 P HA -0.061 nan 4.420 nan 0.000 0.222 264 P C 0.482 177.531 177.300 -0.418 0.000 1.147 264 P CA 0.439 62.797 63.100 -1.235 0.000 0.790 264 P CB 0.275 31.365 31.700 -1.016 0.000 0.780 265 A N -0.441 122.192 122.820 -0.312 0.000 2.797 265 A HA 0.226 4.545 4.320 -0.001 0.000 0.287 265 A C 0.499 178.031 177.584 -0.087 0.000 1.369 265 A CA -0.003 51.945 52.037 -0.147 0.000 0.968 265 A CB -0.434 18.491 19.000 -0.127 0.000 1.069 265 A HN 0.126 nan 8.150 nan 0.000 0.571 266 Q N 0.338 120.102 119.800 -0.060 0.000 2.482 266 Q HA 0.308 4.647 4.340 -0.001 0.000 0.286 266 Q C -2.978 173.065 176.000 0.072 0.000 1.007 266 Q CA -1.870 53.934 55.803 0.001 0.000 0.801 266 Q CB 2.654 31.387 28.738 -0.008 0.000 1.455 266 Q HN 0.202 nan 8.270 nan 0.000 0.398 267 P HA 0.141 nan 4.420 nan 0.000 0.266 267 P C -2.485 174.904 177.300 0.150 0.000 1.215 267 P CA -0.884 62.276 63.100 0.100 0.000 0.763 267 P CB -0.496 31.244 31.700 0.067 0.000 0.806 268 P HA -0.030 nan 4.420 nan 0.000 0.263 268 P C 0.993 178.414 177.300 0.201 0.000 1.168 268 P CA 0.306 63.546 63.100 0.234 0.000 0.759 268 P CB 0.459 32.275 31.700 0.193 0.000 0.782 269 R N 2.175 122.821 120.500 0.242 0.000 2.175 269 R HA 0.032 4.371 4.340 -0.001 0.000 0.202 269 R C 0.023 176.536 176.300 0.356 0.000 1.018 269 R CA 0.827 57.087 56.100 0.267 0.000 1.029 269 R CB 0.257 30.723 30.300 0.277 0.000 0.959 269 R HN 0.598 nan 8.270 nan 0.000 0.480 270 D N -1.493 119.104 120.400 0.328 0.000 2.781 270 D HA 0.035 4.674 4.640 -0.001 0.000 0.295 270 D C 0.592 177.050 176.300 0.264 0.000 1.143 270 D CA -0.770 53.451 54.000 0.367 0.000 1.076 270 D CB 0.415 41.381 40.800 0.276 0.000 1.444 270 D HN -0.040 nan 8.370 nan 0.000 0.567 271 L N -0.488 120.888 121.223 0.255 0.000 2.056 271 L HA -0.090 4.250 4.340 -0.001 0.000 0.207 271 L C 1.768 178.844 176.870 0.344 0.000 1.078 271 L CA 1.845 56.850 54.840 0.274 0.000 0.749 271 L CB -0.524 41.678 42.059 0.238 0.000 0.901 271 L HN 0.593 nan 8.230 nan 0.000 0.433 272 T N -0.516 114.169 114.554 0.219 0.000 2.684 272 T HA -0.214 4.136 4.350 -0.001 0.000 0.267 272 T C 1.656 176.327 174.700 -0.049 0.000 1.036 272 T CA 1.807 63.968 62.100 0.101 0.000 1.148 272 T CB -0.291 68.647 68.868 0.117 0.000 0.863 272 T HN 0.471 nan 8.240 nan 0.000 0.436 273 E N 1.240 121.365 120.200 -0.124 0.000 2.077 273 E HA -0.052 4.297 4.350 -0.001 0.000 0.193 273 E C 2.636 179.131 176.600 -0.174 0.000 0.989 273 E CA 1.027 57.191 56.400 -0.393 0.000 0.800 273 E CB -0.266 29.368 29.700 -0.110 0.000 0.746 273 E HN 0.510 nan 8.360 nan 0.000 0.452 274 A N 0.867 123.754 122.820 0.111 0.000 2.019 274 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 274 A C 1.905 179.647 177.584 0.263 0.000 1.164 274 A CA 0.873 53.049 52.037 0.233 0.000 0.644 274 A CB -0.628 18.561 19.000 0.313 0.000 0.805 274 A HN 0.268 nan 8.150 nan 0.000 0.449 275 F N 0.330 120.343 119.950 0.105 0.000 2.098 275 F HA -0.085 4.441 4.527 -0.001 0.000 0.294 275 F C 1.984 177.610 175.800 -0.291 0.000 1.107 275 F CA 1.649 59.524 58.000 -0.208 0.000 1.234 275 F CB -0.174 38.736 39.000 -0.151 0.000 1.002 275 F HN 0.133 nan 8.300 nan 0.000 0.472 276 L N 0.059 121.199 121.223 -0.138 0.000 2.043 276 L HA -0.286 4.053 4.340 -0.001 0.000 0.212 276 L C 2.782 179.438 176.870 -0.358 0.000 1.075 276 L CA 1.269 55.860 54.840 -0.414 0.000 0.752 276 L CB -1.304 40.061 42.059 -1.156 0.000 0.891 276 L HN 0.259 nan 8.230 nan 0.000 0.432 277 A N 0.015 122.667 122.820 -0.280 0.000 1.883 277 A HA -0.284 4.035 4.320 -0.001 0.000 0.217 277 A C 2.209 179.692 177.584 -0.169 0.000 1.186 277 A CA 2.082 54.112 52.037 -0.011 0.000 0.624 277 A CB -0.577 18.471 19.000 0.081 0.000 0.822 277 A HN 0.400 nan 8.150 nan 0.000 0.444 278 E N -0.786 119.176 120.200 -0.396 0.000 2.265 278 E HA -0.118 4.231 4.350 -0.001 0.000 0.196 278 E C 1.833 177.978 176.600 -0.758 0.000 0.996 278 E CA 1.086 57.033 56.400 -0.756 0.000 0.832 278 E CB -0.307 28.556 29.700 -1.395 0.000 0.756 278 E HN 0.625 nan 8.360 nan 0.000 0.491 279 M N -0.312 119.000 119.600 -0.480 0.000 2.229 279 M HA -0.134 4.345 4.480 -0.001 0.000 0.264 279 M C 1.828 178.055 176.300 -0.122 0.000 1.063 279 M CA 1.446 56.613 55.300 -0.222 0.000 1.114 279 M CB 0.126 32.687 32.600 -0.065 0.000 1.387 279 M HN 0.017 nan 8.290 nan 0.000 0.420 280 E N 0.662 120.805 120.200 -0.095 0.000 2.015 280 E HA -0.181 4.168 4.350 -0.001 0.000 0.191 280 E C 1.683 178.245 176.600 -0.063 0.000 0.991 280 E CA 1.768 58.151 56.400 -0.028 0.000 0.802 280 E CB -0.054 29.670 29.700 0.039 0.000 0.759 280 E HN 0.323 nan 8.360 nan 0.000 0.447 281 K N -0.449 119.886 120.400 -0.108 0.000 2.127 281 K HA -0.224 4.095 4.320 -0.001 0.000 0.212 281 K C 1.788 178.335 176.600 -0.088 0.000 1.050 281 K CA 1.581 57.806 56.287 -0.105 0.000 0.929 281 K CB -0.264 32.143 32.500 -0.154 0.000 0.715 281 K HN 0.231 nan 8.250 nan 0.000 0.457 282 A N 1.064 123.817 122.820 -0.111 0.000 2.308 282 A HA -0.012 4.308 4.320 -0.001 0.000 0.217 282 A C 1.547 179.117 177.584 -0.023 0.000 1.216 282 A CA 0.316 52.318 52.037 -0.059 0.000 0.864 282 A CB -0.081 18.893 19.000 -0.044 0.000 0.902 282 A HN 0.311 nan 8.150 nan 0.000 0.499 283 K N 0.091 120.477 120.400 -0.023 0.000 2.207 283 K HA -0.166 4.153 4.320 -0.001 0.000 0.208 283 K C 1.595 178.196 176.600 0.002 0.000 1.046 283 K CA 2.154 58.440 56.287 -0.002 0.000 0.929 283 K CB -1.274 31.227 32.500 0.003 0.000 0.720 283 K HN 0.229 nan 8.250 nan 0.000 0.463 284 G N 1.272 110.070 108.800 -0.003 0.000 2.616 284 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.215 284 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.215 284 G C 0.257 175.159 174.900 0.003 0.000 1.284 284 G CA 0.255 45.355 45.100 -0.000 0.000 0.823 284 G HN 0.449 nan 8.290 nan 0.000 0.569 285 N N 2.122 120.824 118.700 0.003 0.000 2.068 285 N HA -0.058 4.681 4.740 -0.001 0.000 0.290 285 N C -0.844 174.672 175.510 0.011 0.000 1.372 285 N CA -0.440 52.614 53.050 0.008 0.000 0.863 285 N CB 1.253 39.747 38.487 0.011 0.000 1.174 285 N HN 0.093 nan 8.380 nan 0.000 0.494 286 P HA -0.108 nan 4.420 nan 0.000 0.218 286 P C 0.031 177.337 177.300 0.010 0.000 1.149 286 P CA 1.275 64.381 63.100 0.010 0.000 0.817 286 P CB 0.511 32.216 31.700 0.008 0.000 0.785 287 E N -0.182 120.023 120.200 0.009 0.000 4.034 287 E HA 0.369 4.718 4.350 -0.001 0.000 0.297 287 E C -0.142 176.465 176.600 0.012 0.000 1.372 287 E CA -0.481 55.923 56.400 0.006 0.000 1.555 287 E CB 0.125 29.826 29.700 0.003 0.000 1.488 287 E HN 0.040 nan 8.360 nan 0.000 0.782 288 S N -0.947 114.757 115.700 0.006 0.000 2.971 288 S HA -0.118 4.351 4.470 -0.001 0.000 0.856 288 S C 0.079 174.663 174.600 -0.028 0.000 0.951 288 S CA 0.326 58.536 58.200 0.017 0.000 1.380 288 S CB -1.149 62.096 63.200 0.075 0.000 0.986 288 S HN 0.697 nan 8.310 nan 0.000 0.235 289 S N 3.269 118.885 115.700 -0.140 0.000 2.660 289 S HA 0.336 4.806 4.470 -0.001 0.000 0.227 289 S C 0.175 174.568 174.600 -0.345 0.000 0.948 289 S CA -0.223 57.837 58.200 -0.233 0.000 0.948 289 S CB -0.505 62.517 63.200 -0.297 0.000 0.779 289 S HN 0.623 nan 8.310 nan 0.000 0.487 290 F N 3.886 123.736 119.950 -0.166 0.000 2.606 290 F HA 0.397 4.923 4.527 -0.001 0.000 0.347 290 F C 0.639 176.425 175.800 -0.024 0.000 1.207 290 F CA -0.849 56.973 58.000 -0.297 0.000 1.306 290 F CB -0.136 38.522 39.000 -0.570 0.000 1.657 290 F HN 0.221 nan 8.300 nan 0.000 0.606 291 N N 0.201 119.032 118.700 0.219 0.000 2.563 291 N HA 0.188 4.927 4.740 -0.001 0.000 0.288 291 N C 0.314 175.935 175.510 0.185 0.000 1.246 291 N CA -0.569 52.575 53.050 0.158 0.000 0.946 291 N CB 0.652 39.176 38.487 0.062 0.000 1.213 291 N HN 0.125 nan 8.380 nan 0.000 0.578 292 D N 0.368 120.814 120.400 0.077 0.000 2.123 292 D HA -0.102 4.538 4.640 -0.001 0.000 0.200 292 D C 1.318 177.589 176.300 -0.049 0.000 0.976 292 D CA 1.066 55.068 54.000 0.004 0.000 0.831 292 D CB 0.092 40.893 40.800 0.001 0.000 0.974 292 D HN 0.490 nan 8.370 nan 0.000 0.469 293 E N 0.616 120.800 120.200 -0.027 0.000 2.086 293 E HA -0.258 4.091 4.350 -0.001 0.000 0.205 293 E C 1.775 178.314 176.600 -0.102 0.000 1.027 293 E CA 1.005 57.374 56.400 -0.052 0.000 0.830 293 E CB -0.412 29.268 29.700 -0.033 0.000 0.751 293 E HN 0.446 nan 8.360 nan 0.000 0.456 294 N N 0.029 118.676 118.700 -0.088 0.000 2.354 294 N HA -0.105 4.634 4.740 -0.001 0.000 0.179 294 N C 2.007 177.359 175.510 -0.264 0.000 1.021 294 N CA 0.012 52.981 53.050 -0.136 0.000 0.887 294 N CB 0.099 38.559 38.487 -0.046 0.000 0.974 294 N HN -0.022 nan 8.380 nan 0.000 0.437 295 L N 2.601 123.566 121.223 -0.430 0.000 1.990 295 L HA -0.216 4.123 4.340 -0.001 0.000 0.213 295 L C 2.314 178.907 176.870 -0.462 0.000 1.072 295 L CA 1.801 56.109 54.840 -0.886 0.000 0.755 295 L CB -0.627 40.941 42.059 -0.818 0.000 0.889 295 L HN 0.177 nan 8.230 nan 0.000 0.432 296 R N -0.470 119.859 120.500 -0.284 0.000 2.115 296 R HA -0.084 4.255 4.340 -0.001 0.000 0.230 296 R C 2.155 178.363 176.300 -0.153 0.000 1.111 296 R CA 1.938 57.919 56.100 -0.198 0.000 0.976 296 R CB -1.012 29.188 30.300 -0.166 0.000 0.870 296 R HN 0.488 nan 8.270 nan 0.000 0.445 297 I N 1.166 121.646 120.570 -0.150 0.000 2.252 297 I HA -0.185 3.985 4.170 -0.001 0.000 0.245 297 I C 2.236 178.331 176.117 -0.037 0.000 1.102 297 I CA 0.821 62.065 61.300 -0.094 0.000 1.385 297 I CB -0.287 37.576 38.000 -0.229 0.000 1.064 297 I HN -0.038 nan 8.210 nan 0.000 0.414 298 V N 0.761 120.623 119.914 -0.086 0.000 2.332 298 V HA -0.235 3.884 4.120 -0.001 0.000 0.248 298 V C 2.494 178.625 176.094 0.063 0.000 1.055 298 V CA 1.660 63.958 62.300 -0.004 0.000 1.038 298 V CB -0.445 31.356 31.823 -0.038 0.000 0.651 298 V HN 0.249 nan 8.190 nan 0.000 0.450 299 V N 0.152 120.077 119.914 0.019 0.000 2.307 299 V HA -0.220 3.899 4.120 -0.001 0.000 0.245 299 V C 2.722 178.978 176.094 0.271 0.000 1.045 299 V CA 1.849 64.230 62.300 0.135 0.000 1.024 299 V CB -1.190 30.686 31.823 0.089 0.000 0.651 299 V HN 0.550 nan 8.190 nan 0.000 0.449 300 A N 0.178 123.081 122.820 0.137 0.000 1.892 300 A HA -0.325 3.994 4.320 -0.001 0.000 0.218 300 A C 1.975 179.778 177.584 0.365 0.000 1.188 300 A CA 2.423 54.590 52.037 0.217 0.000 0.631 300 A CB -0.810 18.228 19.000 0.064 0.000 0.822 300 A HN 0.542 nan 8.150 nan 0.000 0.447 301 D N -0.115 120.431 120.400 0.243 0.000 2.104 301 D HA -0.135 4.504 4.640 -0.001 0.000 0.194 301 D C 1.934 178.361 176.300 0.212 0.000 0.994 301 D CA 1.194 55.322 54.000 0.214 0.000 0.830 301 D CB -0.401 40.540 40.800 0.235 0.000 0.959 301 D HN 0.456 nan 8.370 nan 0.000 0.452 302 L N -0.555 120.798 121.223 0.217 0.000 2.042 302 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 302 L C 2.361 179.311 176.870 0.133 0.000 1.076 302 L CA 0.846 55.781 54.840 0.157 0.000 0.749 302 L CB -0.380 41.744 42.059 0.107 0.000 0.893 302 L HN -0.003 nan 8.230 nan 0.000 0.432 303 F N 0.324 120.388 119.950 0.189 0.000 2.075 303 F HA -0.265 4.261 4.527 -0.001 0.000 0.297 303 F C 2.881 178.760 175.800 0.132 0.000 1.113 303 F CA 1.943 60.072 58.000 0.215 0.000 1.218 303 F CB -0.464 38.766 39.000 0.384 0.000 0.984 303 F HN 0.120 nan 8.300 nan 0.000 0.472 304 S N 0.052 115.934 115.700 0.303 0.000 2.335 304 S HA -0.103 4.367 4.470 -0.001 0.000 0.217 304 S C 2.297 176.911 174.600 0.024 0.000 1.032 304 S CA 0.673 58.925 58.200 0.086 0.000 0.985 304 S CB -1.292 61.905 63.200 -0.005 0.000 0.896 304 S HN 0.293 nan 8.310 nan 0.000 0.445 305 A N 2.172 124.985 122.820 -0.010 0.000 1.917 305 A HA 0.092 4.412 4.320 -0.001 0.000 0.219 305 A C 2.300 179.951 177.584 0.112 0.000 1.182 305 A CA 1.912 53.959 52.037 0.016 0.000 0.633 305 A CB -1.699 17.369 19.000 0.113 0.000 0.819 305 A HN 0.611 nan 8.150 nan 0.000 0.448 306 G N -0.831 108.040 108.800 0.119 0.000 2.456 306 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.213 306 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.213 306 G C 1.663 176.632 174.900 0.116 0.000 1.215 306 G CA 1.107 46.279 45.100 0.120 0.000 0.805 306 G HN 0.541 nan 8.290 nan 0.000 0.537 307 M N 0.418 120.082 119.600 0.106 0.000 2.255 307 M HA -0.143 4.336 4.480 -0.001 0.000 0.260 307 M C 2.468 178.820 176.300 0.087 0.000 1.069 307 M CA 2.569 57.934 55.300 0.107 0.000 1.089 307 M CB -0.582 32.099 32.600 0.137 0.000 1.269 307 M HN 0.091 nan 8.290 nan 0.000 0.434 308 V N 0.814 120.768 119.914 0.067 0.000 2.407 308 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 308 V C 2.420 178.560 176.094 0.077 0.000 1.055 308 V CA 2.737 65.065 62.300 0.048 0.000 1.049 308 V CB -0.899 30.935 31.823 0.020 0.000 0.662 308 V HN 0.922 nan 8.190 nan 0.000 0.455 309 T N -2.306 112.308 114.554 0.100 0.000 2.674 309 T HA -0.203 4.147 4.350 -0.001 0.000 0.265 309 T C 1.858 176.635 174.700 0.129 0.000 1.039 309 T CA 2.099 64.269 62.100 0.117 0.000 1.150 309 T CB -1.211 67.738 68.868 0.134 0.000 0.864 309 T HN 0.528 nan 8.240 nan 0.000 0.427 310 T N 1.913 116.556 114.554 0.149 0.000 2.746 310 T HA -0.114 4.235 4.350 -0.001 0.000 0.267 310 T C 2.333 177.114 174.700 0.136 0.000 1.039 310 T CA 1.495 63.696 62.100 0.168 0.000 1.142 310 T CB -0.703 68.285 68.868 0.201 0.000 0.866 310 T HN 0.505 nan 8.240 nan 0.000 0.444 311 S N 0.859 116.617 115.700 0.097 0.000 2.356 311 S HA -0.164 4.305 4.470 -0.001 0.000 0.223 311 S C 2.217 176.860 174.600 0.072 0.000 1.032 311 S CA 1.934 60.167 58.200 0.054 0.000 1.005 311 S CB -0.892 62.322 63.200 0.023 0.000 0.867 311 S HN 0.578 nan 8.310 nan 0.000 0.449 312 T N 1.325 115.935 114.554 0.094 0.000 2.788 312 T HA -0.071 4.278 4.350 -0.001 0.000 0.268 312 T C 1.932 176.774 174.700 0.238 0.000 1.044 312 T CA 1.820 63.994 62.100 0.123 0.000 1.139 312 T CB -0.991 67.972 68.868 0.157 0.000 0.867 312 T HN 0.505 nan 8.240 nan 0.000 0.454 313 T N 2.718 117.418 114.554 0.244 0.000 2.652 313 T HA -0.003 4.346 4.350 -0.001 0.000 0.267 313 T C 1.995 176.838 174.700 0.239 0.000 1.039 313 T CA 1.009 63.270 62.100 0.268 0.000 1.153 313 T CB -0.610 68.349 68.868 0.151 0.000 0.863 313 T HN 0.254 nan 8.240 nan 0.000 0.428 314 L N 0.782 122.114 121.223 0.181 0.000 2.129 314 L HA -0.156 4.183 4.340 -0.001 0.000 0.212 314 L C 2.955 179.924 176.870 0.165 0.000 1.087 314 L CA 1.167 56.116 54.840 0.182 0.000 0.757 314 L CB -0.654 41.494 42.059 0.148 0.000 0.896 314 L HN 0.264 nan 8.230 nan 0.000 0.434 315 A N -0.779 122.119 122.820 0.130 0.000 1.898 315 A HA -0.201 4.119 4.320 -0.001 0.000 0.216 315 A C 1.917 179.546 177.584 0.074 0.000 1.181 315 A CA 1.171 53.267 52.037 0.097 0.000 0.620 315 A CB -0.861 18.135 19.000 -0.007 0.000 0.819 315 A HN 0.488 nan 8.150 nan 0.000 0.442 316 W N 0.027 121.376 121.300 0.082 0.000 2.358 316 W HA -0.019 4.640 4.660 -0.001 0.000 0.303 316 W C 2.524 179.019 176.519 -0.040 0.000 1.208 316 W CA 1.147 58.507 57.345 0.025 0.000 1.274 316 W CB -0.541 28.959 29.460 0.066 0.000 1.138 316 W HN 0.395 nan 8.180 nan 0.000 0.515 317 G N 0.672 109.610 108.800 0.230 0.000 2.514 317 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.217 317 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.217 317 G C 1.429 176.434 174.900 0.175 0.000 1.198 317 G CA 1.429 46.630 45.100 0.168 0.000 0.780 317 G HN 0.193 nan 8.290 nan 0.000 0.565 318 L N -0.193 121.084 121.223 0.089 0.000 2.017 318 L HA -0.047 4.292 4.340 -0.001 0.000 0.208 318 L C 2.757 179.497 176.870 -0.216 0.000 1.073 318 L CA 0.866 55.639 54.840 -0.111 0.000 0.745 318 L CB -0.602 41.372 42.059 -0.143 0.000 0.894 318 L HN 0.277 nan 8.230 nan 0.000 0.432 319 L N 0.154 121.148 121.223 -0.381 0.000 2.012 319 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 319 L C 2.338 178.956 176.870 -0.419 0.000 1.073 319 L CA 1.794 56.188 54.840 -0.744 0.000 0.748 319 L CB -0.443 41.012 42.059 -1.006 0.000 0.891 319 L HN 0.093 nan 8.230 nan 0.000 0.431 320 L N -1.318 119.733 121.223 -0.286 0.000 2.201 320 L HA -0.193 4.146 4.340 -0.001 0.000 0.212 320 L C 2.442 179.152 176.870 -0.266 0.000 1.105 320 L CA 0.689 55.296 54.840 -0.390 0.000 0.775 320 L CB -0.512 41.140 42.059 -0.679 0.000 0.913 320 L HN 0.350 nan 8.230 nan 0.000 0.440 321 M N -0.129 119.404 119.600 -0.111 0.000 2.099 321 M HA -0.147 4.332 4.480 -0.001 0.000 0.262 321 M C 2.399 178.706 176.300 0.011 0.000 1.067 321 M CA 1.686 57.005 55.300 0.032 0.000 1.124 321 M CB -0.874 31.786 32.600 0.101 0.000 1.353 321 M HN 0.336 nan 8.290 nan 0.000 0.410 322 I N -2.833 117.699 120.570 -0.063 0.000 2.676 322 I HA -0.145 4.024 4.170 -0.001 0.000 0.259 322 I C 1.820 177.850 176.117 -0.146 0.000 1.194 322 I CA 0.989 62.257 61.300 -0.054 0.000 1.473 322 I CB -0.322 37.646 38.000 -0.053 0.000 1.096 322 I HN 0.083 nan 8.210 nan 0.000 0.443 323 L N 0.734 121.796 121.223 -0.268 0.000 2.375 323 L HA 0.177 4.517 4.340 -0.001 0.000 0.215 323 L C 0.693 177.162 176.870 -0.668 0.000 1.108 323 L CA 1.114 55.681 54.840 -0.455 0.000 0.830 323 L CB -0.540 41.188 42.059 -0.552 0.000 0.959 323 L HN 0.316 nan 8.230 nan 0.000 0.457 324 H N -0.501 118.535 119.070 -0.056 0.000 2.448 324 H HA 0.301 4.856 4.556 -0.001 0.000 0.237 324 H C -1.775 173.604 175.328 0.086 0.000 1.391 324 H CA -1.594 54.478 56.048 0.041 0.000 1.477 324 H CB 0.752 30.579 29.762 0.109 0.000 1.520 324 H HN 0.070 nan 8.280 nan 0.000 0.502 325 P HA -0.180 nan 4.420 nan 0.000 0.218 325 P C 1.127 178.519 177.300 0.152 0.000 1.149 325 P CA 0.996 64.172 63.100 0.126 0.000 0.817 325 P CB 0.499 32.248 31.700 0.083 0.000 0.785 326 D N 0.637 121.134 120.400 0.163 0.000 2.204 326 D HA -0.172 4.467 4.640 -0.001 0.000 0.189 326 D C 1.953 178.368 176.300 0.192 0.000 1.006 326 D CA 1.391 55.486 54.000 0.158 0.000 0.855 326 D CB -1.352 39.545 40.800 0.161 0.000 0.946 326 D HN 0.082 nan 8.370 nan 0.000 0.448 327 V N 1.168 121.248 119.914 0.277 0.000 2.343 327 V HA -0.263 3.856 4.120 -0.001 0.000 0.247 327 V C 2.917 179.222 176.094 0.352 0.000 1.051 327 V CA 1.952 64.475 62.300 0.373 0.000 1.036 327 V CB -0.860 31.239 31.823 0.460 0.000 0.654 327 V HN 0.242 nan 8.190 nan 0.000 0.451 328 Q N 0.088 120.057 119.800 0.281 0.000 2.045 328 Q HA -0.277 4.062 4.340 -0.001 0.000 0.206 328 Q C 2.514 178.629 176.000 0.193 0.000 0.991 328 Q CA 2.179 58.128 55.803 0.243 0.000 0.851 328 Q CB -0.101 28.760 28.738 0.205 0.000 0.911 328 Q HN 0.574 nan 8.270 nan 0.000 0.418 329 R N -0.257 120.331 120.500 0.148 0.000 2.096 329 R HA -0.171 4.168 4.340 -0.001 0.000 0.240 329 R C 2.442 178.792 176.300 0.082 0.000 1.139 329 R CA 1.915 58.073 56.100 0.096 0.000 0.952 329 R CB -0.325 30.017 30.300 0.070 0.000 0.854 329 R HN 0.282 nan 8.270 nan 0.000 0.436 330 R N 0.184 120.735 120.500 0.085 0.000 2.092 330 R HA -0.067 4.272 4.340 -0.001 0.000 0.231 330 R C 2.331 178.684 176.300 0.088 0.000 1.119 330 R CA 1.300 57.381 56.100 -0.032 0.000 0.970 330 R CB -0.374 29.767 30.300 -0.266 0.000 0.864 330 R HN 0.091 nan 8.270 nan 0.000 0.440 331 V N 1.418 121.511 119.914 0.299 0.000 2.343 331 V HA -0.258 3.862 4.120 -0.001 0.000 0.247 331 V C 2.249 178.456 176.094 0.189 0.000 1.051 331 V CA 1.765 64.275 62.300 0.350 0.000 1.036 331 V CB -0.486 31.570 31.823 0.388 0.000 0.654 331 V HN 0.351 nan 8.190 nan 0.000 0.451 332 Q N -1.012 118.865 119.800 0.129 0.000 2.123 332 Q HA -0.199 4.141 4.340 -0.001 0.000 0.199 332 Q C 2.471 178.498 176.000 0.045 0.000 0.966 332 Q CA 1.097 56.941 55.803 0.069 0.000 0.845 332 Q CB -0.231 28.539 28.738 0.052 0.000 0.907 332 Q HN 0.508 nan 8.270 nan 0.000 0.439 333 Q N 1.018 120.841 119.800 0.038 0.000 2.062 333 Q HA -0.269 4.070 4.340 -0.001 0.000 0.209 333 Q C 1.853 177.869 176.000 0.026 0.000 0.996 333 Q CA 1.778 57.590 55.803 0.014 0.000 0.859 333 Q CB -0.201 28.528 28.738 -0.015 0.000 0.920 333 Q HN 0.464 nan 8.270 nan 0.000 0.415 334 E N -0.297 119.935 120.200 0.055 0.000 2.077 334 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 334 E C 2.202 178.854 176.600 0.087 0.000 0.989 334 E CA 0.710 57.161 56.400 0.085 0.000 0.800 334 E CB -0.100 29.691 29.700 0.151 0.000 0.746 334 E HN 0.347 nan 8.360 nan 0.000 0.452 335 I N 1.681 122.301 120.570 0.084 0.000 2.118 335 I HA -0.311 3.859 4.170 -0.001 0.000 0.241 335 I C 1.851 177.982 176.117 0.023 0.000 1.070 335 I CA 1.487 62.820 61.300 0.055 0.000 1.327 335 I CB -0.424 37.591 38.000 0.025 0.000 1.034 335 I HN 0.161 nan 8.210 nan 0.000 0.405 336 D N 0.598 121.003 120.400 0.008 0.000 2.178 336 D HA -0.164 4.475 4.640 -0.001 0.000 0.201 336 D C 1.696 177.995 176.300 -0.001 0.000 0.980 336 D CA 1.286 55.280 54.000 -0.009 0.000 0.842 336 D CB -0.378 40.413 40.800 -0.015 0.000 0.948 336 D HN 0.385 nan 8.370 nan 0.000 0.472 337 D N -0.609 119.799 120.400 0.013 0.000 2.137 337 D HA -0.061 4.578 4.640 -0.001 0.000 0.202 337 D C 2.124 178.432 176.300 0.013 0.000 0.970 337 D CA 0.513 54.520 54.000 0.012 0.000 0.837 337 D CB 0.367 41.179 40.800 0.020 0.000 0.981 337 D HN 0.030 nan 8.370 nan 0.000 0.475 338 V N -0.043 119.891 119.914 0.033 0.000 2.581 338 V HA 0.042 4.161 4.120 -0.001 0.000 0.240 338 V C 1.973 178.083 176.094 0.028 0.000 1.054 338 V CA 0.789 63.110 62.300 0.036 0.000 1.076 338 V CB -0.026 31.854 31.823 0.094 0.000 0.748 338 V HN 0.151 nan 8.190 nan 0.000 0.474 339 I N -0.490 120.101 120.570 0.035 0.000 2.927 339 I HA 0.471 4.640 4.170 -0.001 0.000 0.268 339 I C 1.391 177.504 176.117 -0.006 0.000 1.153 339 I CA 0.934 62.248 61.300 0.024 0.000 1.459 339 I CB -0.273 37.743 38.000 0.027 0.000 1.149 339 I HN 0.455 nan 8.210 nan 0.000 0.443 340 G N 1.130 109.920 108.800 -0.017 0.000 2.681 340 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.220 340 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.220 340 G C 0.031 174.892 174.900 -0.066 0.000 1.353 340 G CA 0.175 45.253 45.100 -0.035 0.000 0.872 340 G HN 0.225 nan 8.290 nan 0.000 0.557 341 Q N -1.518 118.237 119.800 -0.075 0.000 2.246 341 Q HA 0.541 4.880 4.340 -0.001 0.000 0.222 341 Q C 2.220 178.155 176.000 -0.109 0.000 0.851 341 Q CA 1.317 57.050 55.803 -0.116 0.000 0.945 341 Q CB 0.769 29.446 28.738 -0.101 0.000 1.122 341 Q HN 0.605 nan 8.270 nan 0.000 0.508 342 V N 0.177 120.050 119.914 -0.068 0.000 2.490 342 V HA 0.114 4.233 4.120 -0.001 0.000 0.238 342 V C 0.784 176.858 176.094 -0.033 0.000 1.056 342 V CA 0.866 63.139 62.300 -0.046 0.000 1.075 342 V CB -0.089 31.717 31.823 -0.028 0.000 0.746 342 V HN 0.290 nan 8.190 nan 0.000 0.479 343 R N 1.084 121.569 120.500 -0.024 0.000 2.615 343 R HA 0.409 4.748 4.340 -0.001 0.000 0.270 343 R C -0.219 176.081 176.300 -0.000 0.000 1.081 343 R CA -0.585 55.512 56.100 -0.005 0.000 1.154 343 R CB 0.502 30.804 30.300 0.003 0.000 1.063 343 R HN 0.176 nan 8.270 nan 0.000 0.519 344 R N 1.654 122.167 120.500 0.022 0.000 2.347 344 R HA 0.157 4.496 4.340 -0.001 0.000 0.304 344 R C -2.076 174.244 176.300 0.032 0.000 1.072 344 R CA -1.595 54.527 56.100 0.036 0.000 0.980 344 R CB 0.347 30.674 30.300 0.046 0.000 0.986 344 R HN 0.481 nan 8.270 nan 0.000 0.448 345 P HA -0.143 nan 4.420 nan 0.000 0.263 345 P C -0.721 176.629 177.300 0.083 0.000 1.175 345 P CA 0.635 63.758 63.100 0.039 0.000 0.761 345 P CB 0.477 32.143 31.700 -0.058 0.000 0.794 346 E N 2.245 122.540 120.200 0.158 0.000 2.410 346 E HA 0.342 4.691 4.350 -0.001 0.000 0.269 346 E C 0.353 177.104 176.600 0.252 0.000 0.937 346 E CA -0.871 55.623 56.400 0.158 0.000 0.793 346 E CB 0.678 30.429 29.700 0.085 0.000 1.314 346 E HN 0.003 nan 8.360 nan 0.000 0.447 347 M N 1.467 121.162 119.600 0.158 0.000 2.082 347 M HA -0.043 4.436 4.480 -0.001 0.000 0.258 347 M C 1.881 178.160 176.300 -0.035 0.000 1.069 347 M CA 2.562 57.901 55.300 0.065 0.000 1.102 347 M CB -1.092 31.514 32.600 0.009 0.000 1.336 347 M HN 0.880 nan 8.290 nan 0.000 0.404 348 G N -0.403 108.406 108.800 0.014 0.000 2.550 348 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.222 348 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.222 348 G C 1.156 176.095 174.900 0.064 0.000 1.113 348 G CA 1.460 46.573 45.100 0.022 0.000 0.748 348 G HN 0.486 nan 8.290 nan 0.000 0.585 349 D N -0.102 120.373 120.400 0.125 0.000 2.263 349 D HA -0.081 4.558 4.640 -0.001 0.000 0.208 349 D C 2.365 178.706 176.300 0.069 0.000 0.971 349 D CA 1.193 55.315 54.000 0.203 0.000 0.867 349 D CB -0.239 40.755 40.800 0.322 0.000 0.929 349 D HN 0.484 nan 8.370 nan 0.000 0.492 350 Q N 1.465 121.085 119.800 -0.299 0.000 2.030 350 Q HA -0.158 4.182 4.340 -0.001 0.000 0.204 350 Q C 2.008 177.810 176.000 -0.331 0.000 0.986 350 Q CA 2.330 57.714 55.803 -0.699 0.000 0.843 350 Q CB -0.516 27.621 28.738 -1.001 0.000 0.904 350 Q HN 0.159 nan 8.270 nan 0.000 0.420 351 A N -0.034 122.617 122.820 -0.281 0.000 1.986 351 A HA -0.212 4.108 4.320 -0.001 0.000 0.220 351 A C 1.489 178.901 177.584 -0.287 0.000 1.171 351 A CA 1.741 53.600 52.037 -0.298 0.000 0.640 351 A CB -0.859 17.922 19.000 -0.365 0.000 0.811 351 A HN 0.654 nan 8.150 nan 0.000 0.451 352 H N -1.964 117.095 119.070 -0.019 0.000 2.517 352 H HA 0.322 4.877 4.556 -0.001 0.000 0.282 352 H C -0.156 175.210 175.328 0.064 0.000 1.023 352 H CA 0.241 56.308 56.048 0.032 0.000 1.169 352 H CB 0.044 29.829 29.762 0.038 0.000 1.454 352 H HN 0.453 nan 8.280 nan 0.000 0.556 353 M N 1.014 120.689 119.600 0.125 0.000 2.746 353 M HA 0.204 4.684 4.480 -0.001 0.000 0.209 353 M C -2.087 174.278 176.300 0.109 0.000 1.077 353 M CA -1.641 53.754 55.300 0.158 0.000 0.695 353 M CB 1.913 34.654 32.600 0.236 0.000 1.416 353 M HN -0.146 nan 8.290 nan 0.000 0.459 354 P HA -0.201 nan 4.420 nan 0.000 0.214 354 P C 1.161 178.565 177.300 0.173 0.000 1.163 354 P CA 1.497 64.694 63.100 0.163 0.000 0.889 354 P CB 0.023 31.859 31.700 0.226 0.000 0.790 355 Y N 0.044 120.402 120.300 0.096 0.000 2.200 355 Y HA -0.165 4.384 4.550 -0.001 0.000 0.290 355 Y C 2.271 178.236 175.900 0.109 0.000 1.137 355 Y CA 1.891 60.049 58.100 0.098 0.000 1.163 355 Y CB -1.027 37.487 38.460 0.091 0.000 0.988 355 Y HN -0.098 nan 8.280 nan 0.000 0.518 356 T N -0.711 113.966 114.554 0.206 0.000 2.674 356 T HA -0.180 4.170 4.350 -0.001 0.000 0.265 356 T C 1.775 176.509 174.700 0.056 0.000 1.039 356 T CA 2.150 64.370 62.100 0.200 0.000 1.150 356 T CB -0.673 68.398 68.868 0.339 0.000 0.864 356 T HN 0.386 nan 8.240 nan 0.000 0.427 357 T N 2.373 116.900 114.554 -0.044 0.000 2.624 357 T HA -0.180 4.169 4.350 -0.001 0.000 0.268 357 T C 2.347 176.816 174.700 -0.385 0.000 1.041 357 T CA 1.432 63.334 62.100 -0.330 0.000 1.159 357 T CB -0.778 67.588 68.868 -0.836 0.000 0.863 357 T HN 0.453 nan 8.240 nan 0.000 0.434 358 A N 1.060 123.736 122.820 -0.241 0.000 1.859 358 A HA -0.129 4.190 4.320 -0.001 0.000 0.217 358 A C 2.648 180.097 177.584 -0.225 0.000 1.198 358 A CA 1.999 53.995 52.037 -0.068 0.000 0.629 358 A CB -1.317 17.688 19.000 0.009 0.000 0.830 358 A HN 0.337 nan 8.150 nan 0.000 0.446 359 V N 0.323 120.070 119.914 -0.278 0.000 2.252 359 V HA -0.333 3.786 4.120 -0.001 0.000 0.249 359 V C 2.477 178.477 176.094 -0.157 0.000 1.056 359 V CA 2.328 64.506 62.300 -0.203 0.000 1.022 359 V CB -0.718 31.038 31.823 -0.110 0.000 0.641 359 V HN 0.596 nan 8.190 nan 0.000 0.445 360 I N -0.771 119.687 120.570 -0.187 0.000 2.151 360 I HA -0.322 3.847 4.170 -0.001 0.000 0.243 360 I C 2.459 178.460 176.117 -0.193 0.000 1.080 360 I CA 1.988 63.141 61.300 -0.246 0.000 1.339 360 I CB -0.656 37.255 38.000 -0.148 0.000 1.039 360 I HN 0.399 nan 8.210 nan 0.000 0.409 361 H N 0.069 118.881 119.070 -0.429 0.000 2.353 361 H HA -0.206 4.349 4.556 -0.001 0.000 0.300 361 H C 2.127 177.182 175.328 -0.455 0.000 1.090 361 H CA 1.691 57.329 56.048 -0.683 0.000 1.327 361 H CB -0.217 28.537 29.762 -1.681 0.000 1.383 361 H HN 0.264 nan 8.280 nan 0.000 0.508 362 E N 0.498 120.546 120.200 -0.254 0.000 2.153 362 E HA -0.106 4.243 4.350 -0.001 0.000 0.194 362 E C 2.116 178.837 176.600 0.202 0.000 0.988 362 E CA 0.751 57.189 56.400 0.064 0.000 0.811 362 E CB -0.259 29.379 29.700 -0.103 0.000 0.746 362 E HN 0.235 nan 8.360 nan 0.000 0.466 363 V N 0.911 120.939 119.914 0.189 0.000 2.295 363 V HA -0.304 3.815 4.120 -0.001 0.000 0.246 363 V C 2.414 178.555 176.094 0.079 0.000 1.049 363 V CA 2.234 64.652 62.300 0.196 0.000 1.024 363 V CB -0.625 31.219 31.823 0.034 0.000 0.648 363 V HN 0.370 nan 8.190 nan 0.000 0.447 364 Q N -0.447 119.368 119.800 0.026 0.000 2.096 364 Q HA -0.259 4.080 4.340 -0.001 0.000 0.204 364 Q C 2.512 178.466 176.000 -0.078 0.000 0.982 364 Q CA 1.839 57.621 55.803 -0.036 0.000 0.850 364 Q CB -0.278 28.471 28.738 0.019 0.000 0.901 364 Q HN 0.535 nan 8.270 nan 0.000 0.422 365 R N -0.101 120.428 120.500 0.048 0.000 2.075 365 R HA -0.100 4.239 4.340 -0.001 0.000 0.226 365 R C 2.120 178.316 176.300 -0.173 0.000 1.114 365 R CA 0.875 56.920 56.100 -0.091 0.000 0.972 365 R CB -0.215 30.038 30.300 -0.077 0.000 0.869 365 R HN 0.211 nan 8.270 nan 0.000 0.437 366 F N 0.771 120.610 119.950 -0.185 0.000 2.113 366 F HA 0.009 4.536 4.527 -0.001 0.000 0.297 366 F C 2.049 177.597 175.800 -0.422 0.000 1.103 366 F CA 1.782 59.663 58.000 -0.198 0.000 1.248 366 F CB -0.637 38.401 39.000 0.063 0.000 0.999 366 F HN 0.107 nan 8.300 nan 0.000 0.475 367 G N -0.485 108.123 108.800 -0.319 0.000 2.491 367 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.218 367 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.218 367 G C 0.276 174.647 174.900 -0.881 0.000 1.180 367 G CA 1.137 45.563 45.100 -1.124 0.000 0.774 367 G HN 0.501 nan 8.290 nan 0.000 0.562 368 D N -0.419 119.683 120.400 -0.496 0.000 2.803 368 D HA -0.194 4.446 4.640 -0.001 0.000 0.233 368 D C 1.422 177.578 176.300 -0.240 0.000 1.182 368 D CA 0.808 54.594 54.000 -0.356 0.000 0.726 368 D CB -1.305 39.268 40.800 -0.378 0.000 0.987 368 D HN 0.603 nan 8.370 nan 0.000 0.412 369 I N -2.480 117.987 120.570 -0.171 0.000 2.500 369 I HA -0.046 4.124 4.170 -0.001 0.000 0.252 369 I C 0.702 176.833 176.117 0.024 0.000 1.142 369 I CA 0.273 61.571 61.300 -0.004 0.000 1.451 369 I CB 0.036 38.085 38.000 0.081 0.000 1.093 369 I HN 0.046 nan 8.210 nan 0.000 0.430 370 V N 1.753 121.649 119.914 -0.031 0.000 2.220 370 V HA 0.332 4.451 4.120 -0.001 0.000 0.265 370 V C -1.827 174.225 176.094 -0.069 0.000 1.078 370 V CA -1.172 61.117 62.300 -0.019 0.000 0.872 370 V CB -0.008 31.823 31.823 0.013 0.000 1.121 370 V HN 0.076 nan 8.190 nan 0.000 0.460 371 P HA -0.002 nan 4.420 nan 0.000 0.217 371 P C 1.173 178.427 177.300 -0.077 0.000 1.151 371 P CA 1.126 64.193 63.100 -0.055 0.000 0.828 371 P CB 0.297 32.030 31.700 0.055 0.000 0.788 372 L N -2.623 118.508 121.223 -0.153 0.000 2.728 372 L HA 0.349 4.688 4.340 -0.001 0.000 0.238 372 L C 1.381 178.188 176.870 -0.105 0.000 1.143 372 L CA -0.061 54.697 54.840 -0.137 0.000 0.937 372 L CB -0.783 41.150 42.059 -0.211 0.000 1.225 372 L HN 0.066 nan 8.230 nan 0.000 0.507 373 G N 1.538 110.291 108.800 -0.079 0.000 2.574 373 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.282 373 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.282 373 G C -0.381 174.618 174.900 0.165 0.000 1.257 373 G CA 0.436 45.561 45.100 0.042 0.000 0.956 373 G HN 0.122 nan 8.290 nan 0.000 0.560 374 M N -0.123 119.615 119.600 0.231 0.000 2.578 374 M HA 0.704 5.183 4.480 -0.001 0.000 0.321 374 M C 0.494 176.951 176.300 0.262 0.000 1.182 374 M CA -0.254 55.222 55.300 0.293 0.000 0.965 374 M CB 1.877 34.523 32.600 0.077 0.000 1.694 374 M HN 1.056 nan 8.290 nan 0.000 0.461 375 T N 3.241 117.937 114.554 0.236 0.000 2.869 375 T HA 0.380 4.729 4.350 -0.001 0.000 0.295 375 T C -0.491 174.280 174.700 0.117 0.000 0.987 375 T CA -0.050 62.179 62.100 0.215 0.000 1.109 375 T CB 0.030 69.021 68.868 0.205 0.000 0.932 375 T HN 0.637 nan 8.240 nan 0.000 0.518 376 H N 3.036 122.085 119.070 -0.034 0.000 2.713 376 H HA 0.625 5.181 4.556 -0.001 0.000 0.340 376 H C -0.398 174.886 175.328 -0.072 0.000 1.271 376 H CA -1.077 54.922 56.048 -0.083 0.000 1.306 376 H CB 1.978 31.681 29.762 -0.099 0.000 1.839 376 H HN 0.418 nan 8.280 nan 0.000 0.627 377 M N 1.347 120.964 119.600 0.028 0.000 2.413 377 M HA 0.140 4.619 4.480 -0.001 0.000 0.287 377 M C -0.790 175.495 176.300 -0.025 0.000 1.186 377 M CA -0.657 54.639 55.300 -0.007 0.000 0.927 377 M CB 2.326 34.912 32.600 -0.024 0.000 1.715 377 M HN 0.731 nan 8.290 nan 0.000 0.478 378 T N 0.153 114.695 114.554 -0.020 0.000 2.918 378 T HA 0.299 4.648 4.350 -0.001 0.000 0.302 378 T C 0.478 175.174 174.700 -0.006 0.000 1.045 378 T CA -0.460 61.625 62.100 -0.025 0.000 1.114 378 T CB 1.197 70.048 68.868 -0.029 0.000 0.965 378 T HN 0.638 nan 8.240 nan 0.000 0.540 379 S N 1.621 117.325 115.700 0.007 0.000 2.497 379 S HA 0.229 4.698 4.470 -0.001 0.000 0.218 379 S C 0.582 175.218 174.600 0.060 0.000 1.023 379 S CA -0.399 57.840 58.200 0.065 0.000 0.913 379 S CB -0.115 63.173 63.200 0.147 0.000 0.800 379 S HN 0.892 nan 8.310 nan 0.000 0.505 380 R N 0.692 121.213 120.500 0.035 0.000 2.712 380 R HA 0.322 4.661 4.340 -0.001 0.000 0.272 380 R C -2.132 174.169 176.300 0.003 0.000 1.032 380 R CA -1.059 55.057 56.100 0.027 0.000 0.874 380 R CB 0.169 30.495 30.300 0.043 0.000 1.256 380 R HN -0.069 nan 8.270 nan 0.000 0.468 381 D N 1.278 121.677 120.400 -0.002 0.000 2.364 381 D HA 0.233 4.872 4.640 -0.001 0.000 0.236 381 D C 0.206 176.475 176.300 -0.050 0.000 1.221 381 D CA 0.231 54.217 54.000 -0.024 0.000 0.891 381 D CB 0.616 41.409 40.800 -0.012 0.000 1.190 381 D HN 0.228 nan 8.370 nan 0.000 0.449 382 I N 0.014 120.523 120.570 -0.102 0.000 2.752 382 I HA 0.084 4.253 4.170 -0.001 0.000 0.290 382 I C -0.488 175.484 176.117 -0.241 0.000 1.507 382 I CA -0.623 60.527 61.300 -0.251 0.000 1.038 382 I CB 1.801 39.617 38.000 -0.306 0.000 1.390 382 I HN 0.415 nan 8.210 nan 0.000 0.435 383 E N 3.961 123.977 120.200 -0.307 0.000 2.249 383 E HA 0.639 4.988 4.350 -0.001 0.000 0.280 383 E C -1.016 175.471 176.600 -0.189 0.000 1.016 383 E CA -0.458 55.849 56.400 -0.154 0.000 0.830 383 E CB 1.776 31.446 29.700 -0.049 0.000 1.081 383 E HN 0.431 nan 8.360 nan 0.000 0.395 384 V N 2.904 122.781 119.914 -0.063 0.000 2.686 384 V HA 0.274 4.394 4.120 -0.001 0.000 0.306 384 V C -0.558 175.545 176.094 0.014 0.000 1.065 384 V CA -0.472 61.824 62.300 -0.007 0.000 0.894 384 V CB 1.647 33.469 31.823 -0.002 0.000 1.004 384 V HN 0.958 nan 8.190 nan 0.000 0.424 385 Q N 4.068 123.845 119.800 -0.037 0.000 2.435 385 Q HA -0.262 4.077 4.340 -0.001 0.000 0.286 385 Q C 1.278 176.989 176.000 -0.481 0.000 1.229 385 Q CA 1.217 56.934 55.803 -0.143 0.000 0.884 385 Q CB -1.677 27.055 28.738 -0.009 0.000 1.245 385 Q HN 2.224 nan 8.270 nan 0.000 0.488 386 G N -1.304 107.273 108.800 -0.372 0.000 2.241 386 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.244 386 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.244 386 G C -0.036 174.610 174.900 -0.424 0.000 0.998 386 G CA 0.088 44.915 45.100 -0.455 0.000 0.621 386 G HN 0.345 nan 8.290 nan 0.000 0.519 387 F N 3.329 123.263 119.950 -0.026 0.000 2.394 387 F HA 0.550 5.076 4.527 -0.001 0.000 0.340 387 F C 1.399 177.167 175.800 -0.053 0.000 1.105 387 F CA -1.093 56.887 58.000 -0.034 0.000 1.124 387 F CB 0.810 39.789 39.000 -0.035 0.000 1.145 387 F HN 0.038 nan 8.300 nan 0.000 0.505 388 R N 4.106 124.693 120.500 0.144 0.000 2.401 388 R HA 0.375 4.714 4.340 -0.001 0.000 0.299 388 R C -0.941 175.378 176.300 0.032 0.000 1.064 388 R CA 0.113 56.244 56.100 0.051 0.000 1.000 388 R CB 0.192 30.514 30.300 0.036 0.000 0.973 388 R HN 0.720 nan 8.270 nan 0.000 0.438 389 I N 4.428 124.990 120.570 -0.013 0.000 2.537 389 I HA 0.236 4.405 4.170 -0.001 0.000 0.276 389 I C -2.266 173.831 176.117 -0.034 0.000 1.063 389 I CA -2.552 58.729 61.300 -0.032 0.000 1.144 389 I CB 1.820 39.787 38.000 -0.056 0.000 1.252 389 I HN 0.218 nan 8.210 nan 0.000 0.480 390 P HA -0.075 nan 4.420 nan 0.000 0.266 390 P C -0.069 177.224 177.300 -0.011 0.000 1.193 390 P CA -0.086 63.007 63.100 -0.012 0.000 0.770 390 P CB 0.562 32.259 31.700 -0.006 0.000 0.836 391 K N 2.211 122.609 120.400 -0.003 0.000 2.561 391 K HA 0.120 4.440 4.320 -0.001 0.000 0.280 391 K C 0.436 177.039 176.600 0.005 0.000 0.975 391 K CA 0.984 57.274 56.287 0.004 0.000 1.024 391 K CB -0.587 31.920 32.500 0.013 0.000 0.883 391 K HN 0.815 nan 8.250 nan 0.000 0.496 392 G N 2.752 111.555 108.800 0.006 0.000 2.434 392 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.224 392 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.224 392 G C -0.607 174.295 174.900 0.002 0.000 0.807 392 G CA 0.266 45.370 45.100 0.007 0.000 1.113 392 G HN 0.603 nan 8.290 nan 0.000 0.327 393 T N 1.384 115.935 114.554 -0.004 0.000 3.105 393 T HA 0.497 4.846 4.350 -0.001 0.000 0.321 393 T C 0.172 174.867 174.700 -0.008 0.000 1.135 393 T CA -0.323 61.772 62.100 -0.008 0.000 1.053 393 T CB 1.608 70.462 68.868 -0.023 0.000 1.133 393 T HN 0.545 nan 8.240 nan 0.000 0.463 394 T N 4.453 119.006 114.554 -0.001 0.000 2.769 394 T HA 0.269 4.618 4.350 -0.001 0.000 0.293 394 T C -0.131 174.559 174.700 -0.016 0.000 0.931 394 T CA -0.443 61.661 62.100 0.008 0.000 1.139 394 T CB -0.092 68.791 68.868 0.025 0.000 0.881 394 T HN 0.154 nan 8.240 nan 0.000 0.532 395 L N 5.080 126.299 121.223 -0.006 0.000 2.264 395 L HA 0.511 4.850 4.340 -0.001 0.000 0.289 395 L C 0.164 177.019 176.870 -0.025 0.000 1.044 395 L CA -0.391 54.419 54.840 -0.049 0.000 0.807 395 L CB 0.851 42.874 42.059 -0.060 0.000 1.192 395 L HN 0.634 nan 8.230 nan 0.000 0.425 396 I N 2.953 123.472 120.570 -0.085 0.000 2.354 396 I HA 0.237 4.406 4.170 -0.001 0.000 0.292 396 I C 0.261 176.304 176.117 -0.123 0.000 0.989 396 I CA -0.381 60.889 61.300 -0.049 0.000 1.188 396 I CB 1.926 39.909 38.000 -0.028 0.000 1.342 396 I HN 0.599 nan 8.210 nan 0.000 0.457 397 T N 1.459 115.968 114.554 -0.074 0.000 2.929 397 T HA 0.220 4.569 4.350 -0.001 0.000 0.331 397 T C 0.088 174.747 174.700 -0.069 0.000 1.120 397 T CA -0.867 61.166 62.100 -0.113 0.000 0.973 397 T CB 0.149 68.936 68.868 -0.135 0.000 1.036 397 T HN 0.399 nan 8.240 nan 0.000 0.502 398 N N 4.050 122.704 118.700 -0.077 0.000 2.543 398 N HA 0.085 4.824 4.740 -0.001 0.000 0.289 398 N C 1.055 176.542 175.510 -0.038 0.000 1.223 398 N CA -0.466 52.574 53.050 -0.017 0.000 1.080 398 N CB -0.452 38.044 38.487 0.014 0.000 1.450 398 N HN 0.703 nan 8.380 nan 0.000 0.501 399 L N 0.768 121.960 121.223 -0.052 0.000 2.141 399 L HA -0.145 4.194 4.340 -0.001 0.000 0.209 399 L C 2.262 179.077 176.870 -0.091 0.000 1.094 399 L CA 0.781 55.578 54.840 -0.071 0.000 0.763 399 L CB -0.505 41.503 42.059 -0.084 0.000 0.908 399 L HN 0.454 nan 8.230 nan 0.000 0.437 400 S N 0.185 115.822 115.700 -0.105 0.000 2.359 400 S HA -0.219 4.250 4.470 -0.001 0.000 0.224 400 S C 2.304 176.825 174.600 -0.132 0.000 1.035 400 S CA 1.875 59.982 58.200 -0.155 0.000 1.018 400 S CB -0.249 62.844 63.200 -0.178 0.000 0.876 400 S HN 0.612 nan 8.310 nan 0.000 0.448 401 S N 0.670 116.328 115.700 -0.070 0.000 2.419 401 S HA -0.072 4.397 4.470 -0.001 0.000 0.235 401 S C 1.782 176.381 174.600 -0.002 0.000 1.019 401 S CA 1.389 59.572 58.200 -0.029 0.000 0.982 401 S CB -0.856 62.354 63.200 0.015 0.000 0.789 401 S HN 0.406 nan 8.310 nan 0.000 0.490 402 V N 1.134 121.050 119.914 0.003 0.000 2.346 402 V HA 0.012 4.131 4.120 -0.001 0.000 0.244 402 V C 2.500 178.699 176.094 0.174 0.000 1.037 402 V CA 1.054 63.393 62.300 0.065 0.000 1.029 402 V CB -0.849 30.997 31.823 0.040 0.000 0.663 402 V HN 0.351 nan 8.190 nan 0.000 0.454 403 L N -0.023 121.217 121.223 0.029 0.000 2.141 403 L HA -0.035 4.304 4.340 -0.001 0.000 0.209 403 L C 1.955 178.633 176.870 -0.320 0.000 1.094 403 L CA 1.761 56.543 54.840 -0.098 0.000 0.763 403 L CB -0.693 41.217 42.059 -0.248 0.000 0.908 403 L HN 0.297 nan 8.230 nan 0.000 0.437 404 K N -0.594 119.663 120.400 -0.239 0.000 2.455 404 K HA 0.112 4.431 4.320 -0.001 0.000 0.206 404 K C -0.005 176.523 176.600 -0.120 0.000 1.027 404 K CA -0.265 55.785 56.287 -0.395 0.000 1.113 404 K CB 0.173 32.313 32.500 -0.601 0.000 0.850 404 K HN 0.193 nan 8.250 nan 0.000 0.503 405 D N 2.383 122.868 120.400 0.141 0.000 2.570 405 D HA -0.115 4.524 4.640 -0.001 0.000 0.243 405 D C 0.870 177.264 176.300 0.156 0.000 1.171 405 D CA 0.592 54.678 54.000 0.142 0.000 0.879 405 D CB 0.912 41.781 40.800 0.115 0.000 1.143 405 D HN 0.132 nan 8.370 nan 0.000 0.511 406 E N 3.179 123.437 120.200 0.097 0.000 2.110 406 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 406 E C 1.664 178.305 176.600 0.068 0.000 0.988 406 E CA 1.429 57.893 56.400 0.108 0.000 0.804 406 E CB -0.015 29.759 29.700 0.124 0.000 0.745 406 E HN 0.564 nan 8.360 nan 0.000 0.458 407 A N -0.582 122.255 122.820 0.029 0.000 2.238 407 A HA 0.098 4.417 4.320 -0.001 0.000 0.208 407 A C 1.765 179.300 177.584 -0.081 0.000 1.177 407 A CA 0.556 52.585 52.037 -0.013 0.000 0.804 407 A CB 0.256 19.249 19.000 -0.012 0.000 0.823 407 A HN 0.188 nan 8.150 nan 0.000 0.482 408 V N -2.777 117.058 119.914 -0.132 0.000 2.911 408 V HA 0.071 4.190 4.120 -0.001 0.000 0.237 408 V C 0.253 176.094 176.094 -0.422 0.000 1.156 408 V CA 0.235 62.312 62.300 -0.372 0.000 1.180 408 V CB -0.298 31.143 31.823 -0.637 0.000 0.932 408 V HN 0.645 nan 8.190 nan 0.000 0.483 409 W N 1.324 122.553 121.300 -0.119 0.000 2.390 409 W HA 0.467 5.127 4.660 -0.001 0.000 0.312 409 W C 1.291 177.814 176.519 0.008 0.000 1.123 409 W CA -0.542 56.711 57.345 -0.154 0.000 1.202 409 W CB 0.421 29.633 29.460 -0.413 0.000 1.251 409 W HN 0.100 nan 8.180 nan 0.000 0.511 410 E N 1.970 122.380 120.200 0.349 0.000 2.108 410 E HA -0.248 4.102 4.350 -0.001 0.000 0.203 410 E C 0.156 176.858 176.600 0.170 0.000 1.022 410 E CA 1.364 57.894 56.400 0.217 0.000 0.823 410 E CB -0.060 29.734 29.700 0.156 0.000 0.744 410 E HN 0.314 nan 8.360 nan 0.000 0.456 411 K N -0.366 120.222 120.400 0.314 0.000 2.895 411 K HA 0.153 4.472 4.320 -0.001 0.000 0.191 411 K C -2.376 174.354 176.600 0.217 0.000 1.117 411 K CA -1.099 55.276 56.287 0.147 0.000 0.988 411 K CB 1.899 34.306 32.500 -0.155 0.000 1.181 411 K HN -0.119 nan 8.250 nan 0.000 0.598 412 P HA -0.070 nan 4.420 nan 0.000 0.221 412 P C 0.194 177.301 177.300 -0.321 0.000 1.150 412 P CA 0.837 63.823 63.100 -0.191 0.000 0.800 412 P CB 0.188 31.713 31.700 -0.293 0.000 0.787 413 F N -0.904 119.100 119.950 0.091 0.000 2.645 413 F HA 0.216 4.742 4.527 -0.002 0.000 0.300 413 F C 1.145 177.119 175.800 0.289 0.000 1.115 413 F CA -0.050 58.016 58.000 0.111 0.000 1.355 413 F CB 0.110 39.159 39.000 0.081 0.000 1.026 413 F HN -0.320 nan 8.300 nan 0.000 0.536 414 R N -0.514 120.243 120.500 0.428 0.000 2.803 414 R HA 0.331 4.670 4.340 -0.001 0.000 0.276 414 R C -1.293 175.241 176.300 0.391 0.000 0.978 414 R CA -1.086 55.265 56.100 0.418 0.000 0.939 414 R CB 1.773 32.200 30.300 0.212 0.000 1.179 414 R HN -0.052 nan 8.270 nan 0.000 0.472 415 F N 2.321 122.227 119.950 -0.074 0.000 2.444 415 F HA 0.188 4.715 4.527 -0.001 0.000 0.360 415 F C -0.388 175.364 175.800 -0.080 0.000 1.106 415 F CA 0.059 57.881 58.000 -0.296 0.000 1.170 415 F CB 0.224 38.805 39.000 -0.698 0.000 1.113 415 F HN 0.490 nan 8.300 nan 0.000 0.521 416 H N 7.425 126.100 119.070 -0.658 0.000 2.750 416 H HA 0.321 4.877 4.556 -0.001 0.000 0.261 416 H C -2.447 172.604 175.328 -0.463 0.000 1.387 416 H CA -1.636 54.106 56.048 -0.509 0.000 1.557 416 H CB 0.946 30.442 29.762 -0.444 0.000 1.756 416 H HN 0.302 nan 8.280 nan 0.000 0.580 417 P HA -0.155 nan 4.420 nan 0.000 0.220 417 P C 1.155 178.331 177.300 -0.207 0.000 1.144 417 P CA 1.003 63.876 63.100 -0.379 0.000 0.800 417 P CB 0.497 31.904 31.700 -0.487 0.000 0.772 418 E N -1.235 118.680 120.200 -0.475 0.000 2.114 418 E HA -0.239 4.110 4.350 -0.001 0.000 0.199 418 E C 1.724 178.254 176.600 -0.117 0.000 1.008 418 E CA 1.346 57.540 56.400 -0.343 0.000 0.810 418 E CB -1.150 28.190 29.700 -0.599 0.000 0.739 418 E HN 0.498 nan 8.360 nan 0.000 0.456 419 H N -1.776 117.303 119.070 0.015 0.000 2.414 419 H HA -0.217 4.338 4.556 -0.001 0.000 0.290 419 H C 1.124 176.282 175.328 -0.284 0.000 1.125 419 H CA 1.559 57.600 56.048 -0.010 0.000 1.207 419 H CB -0.235 29.554 29.762 0.045 0.000 1.356 419 H HN 0.190 nan 8.280 nan 0.000 0.494 420 F N -0.417 119.599 119.950 0.110 0.000 2.695 420 F HA 0.244 4.770 4.527 -0.001 0.000 0.303 420 F C 0.179 175.922 175.800 -0.095 0.000 1.091 420 F CA 0.005 57.977 58.000 -0.046 0.000 1.300 420 F CB 0.668 39.681 39.000 0.023 0.000 1.071 420 F HN -0.080 nan 8.300 nan 0.000 0.578 421 L N 1.196 122.464 121.223 0.075 0.000 2.322 421 L HA 0.321 4.660 4.340 -0.001 0.000 0.281 421 L C -0.248 176.628 176.870 0.010 0.000 1.014 421 L CA -1.101 53.777 54.840 0.064 0.000 0.815 421 L CB 1.145 43.256 42.059 0.086 0.000 1.247 421 L HN 0.011 nan 8.230 nan 0.000 0.421 422 D N 2.464 122.872 120.400 0.014 0.000 2.433 422 D HA 0.154 4.793 4.640 -0.001 0.000 0.255 422 D C 1.072 177.367 176.300 -0.007 0.000 1.226 422 D CA -0.127 53.874 54.000 0.000 0.000 1.015 422 D CB 1.110 41.923 40.800 0.021 0.000 1.091 422 D HN 0.494 nan 8.370 nan 0.000 0.527 423 A N -0.115 122.699 122.820 -0.010 0.000 1.986 423 A HA -0.268 4.051 4.320 -0.001 0.000 0.220 423 A C 1.948 179.508 177.584 -0.039 0.000 1.171 423 A CA 1.915 53.943 52.037 -0.016 0.000 0.640 423 A CB -0.744 18.250 19.000 -0.009 0.000 0.811 423 A HN 0.577 nan 8.150 nan 0.000 0.451 424 Q N -1.759 118.000 119.800 -0.069 0.000 2.360 424 Q HA 0.361 4.701 4.340 -0.001 0.000 0.202 424 Q C 1.087 176.941 176.000 -0.243 0.000 0.915 424 Q CA 0.709 56.411 55.803 -0.168 0.000 0.943 424 Q CB 0.191 28.787 28.738 -0.237 0.000 1.064 424 Q HN 0.941 nan 8.270 nan 0.000 0.511 425 G N 0.377 109.098 108.800 -0.132 0.000 2.149 425 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.235 425 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.235 425 G C -0.588 174.284 174.900 -0.046 0.000 1.018 425 G CA -0.178 44.888 45.100 -0.056 0.000 0.728 425 G HN 0.509 nan 8.290 nan 0.000 0.508 426 H N -1.204 117.911 119.070 0.074 0.000 2.511 426 H HA 0.498 5.053 4.556 -0.001 0.000 0.346 426 H C 0.381 175.776 175.328 0.111 0.000 1.128 426 H CA -0.568 55.534 56.048 0.090 0.000 1.342 426 H CB 0.954 30.745 29.762 0.048 0.000 1.470 426 H HN 0.246 nan 8.280 nan 0.000 0.546 427 F N 4.024 124.052 119.950 0.131 0.000 2.484 427 F HA 0.299 4.826 4.527 -0.001 0.000 0.360 427 F C -0.322 175.497 175.800 0.030 0.000 1.101 427 F CA -0.558 57.465 58.000 0.039 0.000 1.251 427 F CB 0.256 39.228 39.000 -0.047 0.000 1.132 427 F HN 0.273 nan 8.300 nan 0.000 0.570 428 V N 3.988 123.438 119.914 -0.773 0.000 2.876 428 V HA 0.598 4.717 4.120 -0.001 0.000 0.312 428 V C -1.381 174.138 176.094 -0.959 0.000 1.085 428 V CA -1.101 60.769 62.300 -0.716 0.000 0.945 428 V CB 1.840 33.473 31.823 -0.317 0.000 1.017 428 V HN 0.909 nan 8.190 nan 0.000 0.428 429 K N 3.209 123.241 120.400 -0.613 0.000 2.521 429 K HA 0.670 4.989 4.320 -0.001 0.000 0.248 429 K C -2.839 173.711 176.600 -0.083 0.000 0.978 429 K CA -1.432 54.706 56.287 -0.249 0.000 0.947 429 K CB 1.328 33.805 32.500 -0.039 0.000 1.165 429 K HN 0.576 nan 8.250 nan 0.000 0.445 430 P HA -0.079 nan 4.420 nan 0.000 0.267 430 P C 0.143 177.444 177.300 0.003 0.000 1.195 430 P CA 0.006 62.991 63.100 -0.192 0.000 0.773 430 P CB 0.618 32.004 31.700 -0.523 0.000 0.837 431 E N 1.227 121.401 120.200 -0.043 0.000 2.204 431 E HA -0.167 4.182 4.350 -0.001 0.000 0.195 431 E C 1.709 178.359 176.600 0.084 0.000 0.990 431 E CA 1.055 57.478 56.400 0.037 0.000 0.821 431 E CB -0.209 29.482 29.700 -0.014 0.000 0.750 431 E HN 0.511 nan 8.360 nan 0.000 0.477 432 A N 0.918 123.738 122.820 0.000 0.000 2.216 432 A HA -0.119 4.200 4.320 -0.001 0.000 0.214 432 A C 0.766 178.626 177.584 0.460 0.000 1.160 432 A CA 0.149 52.255 52.037 0.115 0.000 0.725 432 A CB -0.514 18.403 19.000 -0.137 0.000 0.784 432 A HN 0.236 nan 8.150 nan 0.000 0.472 433 F N 0.864 121.046 119.950 0.385 0.000 2.494 433 F HA 0.402 4.928 4.527 -0.001 0.000 0.351 433 F C 0.144 176.121 175.800 0.297 0.000 1.205 433 F CA -0.351 57.930 58.000 0.469 0.000 1.125 433 F CB 0.117 39.492 39.000 0.625 0.000 1.268 433 F HN 0.006 nan 8.300 nan 0.000 0.593 434 L N 9.142 130.255 121.223 -0.184 0.000 2.913 434 L HA 0.207 4.546 4.340 -0.001 0.000 0.283 434 L C -1.631 175.059 176.870 -0.299 0.000 1.336 434 L CA -0.993 53.752 54.840 -0.158 0.000 0.815 434 L CB 0.747 42.795 42.059 -0.018 0.000 1.188 434 L HN 0.397 nan 8.230 nan 0.000 0.551 435 P HA -0.083 nan 4.420 nan 0.000 0.225 435 P C 0.880 177.885 177.300 -0.491 0.000 1.156 435 P CA 1.097 63.834 63.100 -0.604 0.000 0.787 435 P CB 0.143 31.305 31.700 -0.897 0.000 0.802 436 F N -0.519 119.362 119.950 -0.114 0.000 2.639 436 F HA 0.292 4.819 4.527 -0.001 0.000 0.300 436 F C 1.608 177.419 175.800 0.018 0.000 1.109 436 F CA -0.033 57.963 58.000 -0.007 0.000 1.335 436 F CB -0.347 38.669 39.000 0.027 0.000 1.014 436 F HN -0.077 nan 8.300 nan 0.000 0.537 437 S N 0.604 116.368 115.700 0.107 0.000 3.583 437 S HA -0.020 4.449 4.470 -0.001 0.000 0.629 437 S C -0.290 174.371 174.600 0.102 0.000 2.549 437 S CA 0.301 58.549 58.200 0.080 0.000 3.665 437 S CB -1.123 62.136 63.200 0.098 0.000 0.265 437 S HN 1.262 nan 8.310 nan 0.000 1.206 438 A N -0.206 122.666 122.820 0.088 0.000 2.590 438 A HA 0.778 5.097 4.320 -0.001 0.000 0.294 438 A C 0.654 178.282 177.584 0.073 0.000 1.046 438 A CA 0.894 52.978 52.037 0.078 0.000 0.684 438 A CB 0.414 19.443 19.000 0.048 0.000 1.279 438 A HN 2.990 nan 8.150 nan 0.000 0.415 439 G N 0.680 109.526 108.800 0.076 0.000 2.627 439 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.214 439 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.214 439 G C 0.595 175.565 174.900 0.117 0.000 1.331 439 G CA 0.255 45.401 45.100 0.076 0.000 0.891 439 G HN 1.086 nan 8.290 nan 0.000 0.539 440 R N 0.002 120.577 120.500 0.125 0.000 2.119 440 R HA -0.062 4.277 4.340 -0.001 0.000 0.246 440 R C 2.251 178.734 176.300 0.304 0.000 1.146 440 R CA 1.826 58.047 56.100 0.202 0.000 0.962 440 R CB -0.358 30.040 30.300 0.162 0.000 0.863 440 R HN 0.495 nan 8.270 nan 0.000 0.442 441 R N 0.212 120.858 120.500 0.244 0.000 2.466 441 R HA 0.277 4.616 4.340 -0.001 0.000 0.279 441 R C 0.094 176.531 176.300 0.227 0.000 0.976 441 R CA -0.045 56.212 56.100 0.261 0.000 1.081 441 R CB 0.485 30.811 30.300 0.044 0.000 1.215 441 R HN 0.060 nan 8.270 nan 0.000 0.546 442 A N 0.645 123.588 122.820 0.205 0.000 2.409 442 A HA -0.043 4.276 4.320 -0.001 0.000 0.246 442 A C 0.457 178.159 177.584 0.196 0.000 1.099 442 A CA -0.243 51.907 52.037 0.187 0.000 0.789 442 A CB 0.207 19.301 19.000 0.157 0.000 1.053 442 A HN 0.509 nan 8.150 nan 0.000 0.503 443 C N 2.309 121.746 119.300 0.228 0.000 2.601 443 C HA 0.100 4.559 4.460 -0.001 0.000 0.405 443 C C 1.861 176.942 174.990 0.152 0.000 1.441 443 C CA -0.039 59.125 59.018 0.243 0.000 1.555 443 C CB -2.274 25.694 27.740 0.379 0.000 2.450 443 C HN 0.737 nan 8.230 nan 0.000 0.614 444 L N 4.934 126.251 121.223 0.157 0.000 2.137 444 L HA -0.126 4.213 4.340 -0.001 0.000 0.213 444 L C 2.422 179.331 176.870 0.066 0.000 1.085 444 L CA 2.020 56.921 54.840 0.103 0.000 0.760 444 L CB -0.519 41.617 42.059 0.128 0.000 0.893 444 L HN 1.017 nan 8.230 nan 0.000 0.434 445 G N -1.537 107.320 108.800 0.095 0.000 2.880 445 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.209 445 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.209 445 G C 1.273 176.151 174.900 -0.038 0.000 1.157 445 G CA 0.207 45.350 45.100 0.072 0.000 0.779 445 G HN 0.395 nan 8.290 nan 0.000 0.539 446 E N 1.212 121.298 120.200 -0.190 0.000 2.108 446 E HA -0.198 4.151 4.350 -0.001 0.000 0.203 446 E C -0.174 176.225 176.600 -0.335 0.000 1.022 446 E CA 1.760 57.804 56.400 -0.594 0.000 0.823 446 E CB -0.334 28.886 29.700 -0.799 0.000 0.744 446 E HN 0.346 nan 8.360 nan 0.000 0.456 447 P HA -0.143 nan 4.420 nan 0.000 0.217 447 P C 1.410 178.685 177.300 -0.041 0.000 1.150 447 P CA 0.887 63.930 63.100 -0.095 0.000 0.832 447 P CB -0.049 31.612 31.700 -0.064 0.000 0.787 448 L N -0.940 120.277 121.223 -0.009 0.000 2.217 448 L HA 0.096 4.435 4.340 -0.001 0.000 0.211 448 L C 2.068 178.993 176.870 0.093 0.000 1.107 448 L CA 1.471 56.340 54.840 0.048 0.000 0.783 448 L CB -1.382 40.721 42.059 0.072 0.000 0.919 448 L HN -0.144 nan 8.230 nan 0.000 0.442 449 A N -0.679 122.196 122.820 0.092 0.000 1.898 449 A HA -0.091 4.228 4.320 -0.001 0.000 0.214 449 A C 2.406 180.102 177.584 0.188 0.000 1.183 449 A CA 0.955 53.107 52.037 0.191 0.000 0.622 449 A CB -0.439 18.748 19.000 0.311 0.000 0.824 449 A HN 0.377 nan 8.150 nan 0.000 0.444 450 R N -1.230 119.326 120.500 0.093 0.000 2.103 450 R HA -0.185 4.154 4.340 -0.001 0.000 0.242 450 R C 2.275 178.654 176.300 0.130 0.000 1.142 450 R CA 1.908 58.067 56.100 0.099 0.000 0.960 450 R CB -0.395 29.911 30.300 0.010 0.000 0.858 450 R HN 0.664 nan 8.270 nan 0.000 0.439 451 M N 0.650 120.310 119.600 0.099 0.000 2.077 451 M HA -0.182 4.297 4.480 -0.001 0.000 0.261 451 M C 1.770 178.142 176.300 0.121 0.000 1.070 451 M CA 1.754 57.119 55.300 0.108 0.000 1.125 451 M CB -0.003 32.628 32.600 0.052 0.000 1.339 451 M HN 0.094 nan 8.290 nan 0.000 0.409 452 E N 0.194 120.473 120.200 0.132 0.000 2.058 452 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 452 E C 1.971 178.743 176.600 0.287 0.000 0.997 452 E CA 1.645 58.147 56.400 0.169 0.000 0.801 452 E CB -0.296 29.627 29.700 0.372 0.000 0.746 452 E HN 0.547 nan 8.360 nan 0.000 0.450 453 L N -0.171 121.225 121.223 0.289 0.000 2.093 453 L HA -0.136 4.204 4.340 -0.001 0.000 0.208 453 L C 2.405 179.450 176.870 0.292 0.000 1.085 453 L CA 0.873 55.884 54.840 0.285 0.000 0.755 453 L CB -0.362 41.815 42.059 0.197 0.000 0.904 453 L HN 0.138 nan 8.230 nan 0.000 0.435 454 F N 0.555 120.583 119.950 0.131 0.000 2.128 454 F HA -0.138 4.388 4.527 -0.001 0.000 0.295 454 F C 2.225 178.109 175.800 0.138 0.000 1.100 454 F CA 1.324 59.401 58.000 0.127 0.000 1.260 454 F CB 0.037 39.072 39.000 0.058 0.000 1.009 454 F HN -0.166 nan 8.300 nan 0.000 0.476 455 L N -0.883 120.321 121.223 -0.031 0.000 2.027 455 L HA -0.196 4.143 4.340 -0.001 0.000 0.206 455 L C 2.417 179.199 176.870 -0.146 0.000 1.074 455 L CA 1.128 55.848 54.840 -0.199 0.000 0.745 455 L CB -0.837 41.106 42.059 -0.193 0.000 0.898 455 L HN 0.116 nan 8.230 nan 0.000 0.433 456 F N -0.704 119.290 119.950 0.073 0.000 2.113 456 F HA -0.228 4.298 4.527 -0.001 0.000 0.297 456 F C 2.367 178.214 175.800 0.079 0.000 1.103 456 F CA 1.294 59.344 58.000 0.084 0.000 1.248 456 F CB -0.928 38.146 39.000 0.124 0.000 0.999 456 F HN -0.068 nan 8.300 nan 0.000 0.475 457 F N 1.240 121.277 119.950 0.146 0.000 2.113 457 F HA -0.216 4.310 4.527 -0.001 0.000 0.297 457 F C 2.718 178.534 175.800 0.027 0.000 1.103 457 F CA 2.102 60.149 58.000 0.078 0.000 1.248 457 F CB -0.908 38.137 39.000 0.075 0.000 0.999 457 F HN 0.051 nan 8.300 nan 0.000 0.475 458 T N -2.399 112.113 114.554 -0.071 0.000 2.643 458 T HA -0.193 4.157 4.350 -0.001 0.000 0.264 458 T C 2.206 176.847 174.700 -0.098 0.000 1.045 458 T CA 1.589 63.575 62.100 -0.190 0.000 1.155 458 T CB -1.166 67.447 68.868 -0.426 0.000 0.863 458 T HN 0.240 nan 8.240 nan 0.000 0.420 459 S N 1.980 117.656 115.700 -0.040 0.000 2.389 459 S HA -0.086 4.384 4.470 -0.001 0.000 0.231 459 S C 1.997 176.716 174.600 0.199 0.000 1.052 459 S CA 1.628 59.888 58.200 0.100 0.000 1.053 459 S CB -0.735 62.544 63.200 0.131 0.000 0.886 459 S HN 0.429 nan 8.310 nan 0.000 0.456 460 L N 0.526 121.839 121.223 0.150 0.000 2.072 460 L HA 0.005 4.344 4.340 -0.001 0.000 0.205 460 L C 2.134 179.212 176.870 0.347 0.000 1.079 460 L CA 0.963 55.981 54.840 0.296 0.000 0.752 460 L CB -0.403 41.772 42.059 0.193 0.000 0.906 460 L HN 0.280 nan 8.230 nan 0.000 0.436 461 L N -0.483 120.803 121.223 0.105 0.000 2.395 461 L HA -0.140 4.200 4.340 -0.001 0.000 0.218 461 L C 2.563 179.440 176.870 0.011 0.000 1.130 461 L CA 0.597 55.487 54.840 0.084 0.000 0.826 461 L CB -0.326 41.656 42.059 -0.128 0.000 0.941 461 L HN 0.433 nan 8.230 nan 0.000 0.451 462 Q N -0.086 119.695 119.800 -0.032 0.000 2.049 462 Q HA -0.213 4.126 4.340 -0.001 0.000 0.198 462 Q C 1.948 177.790 176.000 -0.264 0.000 0.971 462 Q CA 1.688 57.407 55.803 -0.140 0.000 0.833 462 Q CB 0.075 28.706 28.738 -0.179 0.000 0.896 462 Q HN 0.537 nan 8.270 nan 0.000 0.434 463 H N -1.613 117.314 119.070 -0.238 0.000 2.403 463 H HA 0.108 4.663 4.556 -0.001 0.000 0.298 463 H C -0.222 174.634 175.328 -0.785 0.000 1.059 463 H CA 0.846 56.558 56.048 -0.561 0.000 1.363 463 H CB 0.350 29.634 29.762 -0.797 0.000 1.410 463 H HN 0.069 nan 8.280 nan 0.000 0.528 464 F N -1.079 118.823 119.950 -0.081 0.000 2.579 464 F HA 0.483 5.009 4.527 -0.001 0.000 0.324 464 F C -0.003 175.533 175.800 -0.441 0.000 1.058 464 F CA -1.098 56.703 58.000 -0.333 0.000 0.944 464 F CB 1.847 40.445 39.000 -0.671 0.000 1.245 464 F HN -0.329 nan 8.300 nan 0.000 0.477 465 S N 1.439 117.035 115.700 -0.173 0.000 2.456 465 S HA 0.620 5.089 4.470 -0.001 0.000 0.316 465 S C -1.093 173.395 174.600 -0.188 0.000 1.089 465 S CA -0.516 57.604 58.200 -0.132 0.000 1.101 465 S CB 0.237 63.430 63.200 -0.011 0.000 0.995 465 S HN 0.328 nan 8.310 nan 0.000 0.468 466 F N 2.266 122.292 119.950 0.126 0.000 2.422 466 F HA 0.640 5.166 4.527 -0.001 0.000 0.333 466 F C 1.026 176.854 175.800 0.046 0.000 1.095 466 F CA -0.374 57.679 58.000 0.089 0.000 1.038 466 F CB 1.543 40.591 39.000 0.080 0.000 1.156 466 F HN 0.579 nan 8.300 nan 0.000 0.483 467 S N 0.758 116.572 115.700 0.190 0.000 2.671 467 S HA 0.677 5.146 4.470 -0.001 0.000 0.277 467 S C -1.046 173.585 174.600 0.051 0.000 1.165 467 S CA -1.061 57.196 58.200 0.096 0.000 0.822 467 S CB 1.304 64.544 63.200 0.067 0.000 1.150 467 S HN 0.787 nan 8.310 nan 0.000 0.479 468 V N 0.550 120.471 119.914 0.012 0.000 2.583 468 V HA 0.585 4.704 4.120 -0.001 0.000 0.287 468 V C -2.759 173.336 176.094 0.001 0.000 1.051 468 V CA -1.553 60.743 62.300 -0.007 0.000 1.010 468 V CB 0.048 31.849 31.823 -0.036 0.000 0.988 468 V HN 0.793 nan 8.190 nan 0.000 0.478 469 P HA 0.090 nan 4.420 nan 0.000 0.264 469 P C 1.099 178.400 177.300 0.002 0.000 1.179 469 P CA 0.687 63.788 63.100 0.002 0.000 0.763 469 P CB 0.405 32.100 31.700 -0.008 0.000 0.806 470 T N -0.866 113.694 114.554 0.009 0.000 2.962 470 T HA -0.078 4.271 4.350 -0.001 0.000 0.270 470 T C 1.938 176.640 174.700 0.004 0.000 1.088 470 T CA 1.246 63.351 62.100 0.008 0.000 1.127 470 T CB -0.970 67.905 68.868 0.013 0.000 0.883 470 T HN 0.474 nan 8.240 nan 0.000 0.493 471 G N 0.738 109.539 108.800 0.002 0.000 2.430 471 G HA2 0.040 3.999 3.960 -0.001 0.000 0.216 471 G HA3 0.040 3.999 3.960 -0.001 0.000 0.216 471 G C 0.713 175.609 174.900 -0.005 0.000 1.146 471 G CA -0.246 44.853 45.100 -0.001 0.000 0.793 471 G HN 0.515 nan 8.290 nan 0.000 0.537 472 Q N 0.512 120.306 119.800 -0.009 0.000 2.352 472 Q HA 0.188 4.528 4.340 -0.001 0.000 0.260 472 Q C -1.377 174.612 176.000 -0.019 0.000 0.976 472 Q CA -1.463 54.331 55.803 -0.015 0.000 0.881 472 Q CB 1.437 30.164 28.738 -0.019 0.000 1.235 472 Q HN 0.133 nan 8.270 nan 0.000 0.419 473 P HA -0.108 nan 4.420 nan 0.000 0.242 473 P C -0.725 176.552 177.300 -0.039 0.000 1.197 473 P CA 0.520 63.606 63.100 -0.023 0.000 0.765 473 P CB 0.305 31.994 31.700 -0.018 0.000 0.936 474 R N -0.449 120.020 120.500 -0.052 0.000 1.000 474 R HA -0.041 4.299 4.340 -0.001 0.000 0.430 474 R C -2.739 173.489 176.300 -0.120 0.000 1.348 474 R CA -0.237 55.811 56.100 -0.086 0.000 0.950 474 R CB -1.808 28.441 30.300 -0.086 0.000 3.022 474 R HN 0.053 nan 8.270 nan 0.000 0.515 475 P HA 0.275 nan 4.420 nan 0.000 0.293 475 P C -0.854 176.293 177.300 -0.256 0.000 1.304 475 P CA -0.639 62.365 63.100 -0.160 0.000 0.767 475 P CB 1.044 32.649 31.700 -0.158 0.000 1.247 476 S N -1.439 114.136 115.700 -0.208 0.000 2.554 476 S HA 0.157 4.626 4.470 -0.001 0.000 0.278 476 S C 1.378 175.831 174.600 -0.245 0.000 1.242 476 S CA -0.501 57.539 58.200 -0.267 0.000 1.051 476 S CB -0.120 63.065 63.200 -0.025 0.000 0.986 476 S HN 0.431 nan 8.310 nan 0.000 0.502 477 H N 2.888 121.899 119.070 -0.099 0.000 2.389 477 H HA 0.004 4.560 4.556 -0.001 0.000 0.299 477 H C 0.094 175.545 175.328 0.205 0.000 1.081 477 H CA 0.640 56.724 56.048 0.060 0.000 1.345 477 H CB -0.509 29.266 29.762 0.021 0.000 1.393 477 H HN 0.617 nan 8.280 nan 0.000 0.520 478 H N 0.971 120.342 119.070 0.501 0.000 2.629 478 H HA 0.412 4.968 4.556 -0.001 0.000 0.357 478 H C 0.675 176.223 175.328 0.366 0.000 1.121 478 H CA 0.198 56.482 56.048 0.393 0.000 1.406 478 H CB 1.193 31.120 29.762 0.275 0.000 1.456 478 H HN 0.351 nan 8.280 nan 0.000 0.579 479 G N 0.144 109.271 108.800 0.546 0.000 2.537 479 G HA2 0.447 4.406 3.960 -0.001 0.000 0.308 479 G HA3 0.447 4.406 3.960 -0.001 0.000 0.308 479 G C -0.660 174.432 174.900 0.321 0.000 1.237 479 G CA -0.780 44.585 45.100 0.441 0.000 0.968 479 G HN 0.475 nan 8.290 nan 0.000 0.481 480 V N 0.272 120.325 119.914 0.230 0.000 2.455 480 V HA 0.302 4.421 4.120 -0.001 0.000 0.273 480 V C -0.277 175.960 176.094 0.238 0.000 1.045 480 V CA -0.681 61.733 62.300 0.191 0.000 0.976 480 V CB 0.726 32.609 31.823 0.099 0.000 0.993 480 V HN 0.522 nan 8.190 nan 0.000 0.475 481 F N 5.896 125.901 119.950 0.092 0.000 2.499 481 F HA 0.719 5.246 4.527 -0.001 0.000 0.353 481 F C 0.614 176.454 175.800 0.066 0.000 1.196 481 F CA -0.694 57.354 58.000 0.081 0.000 1.244 481 F CB -0.358 38.685 39.000 0.071 0.000 1.577 481 F HN 0.691 nan 8.300 nan 0.000 0.614 482 A N 3.892 126.543 122.820 -0.281 0.000 2.829 482 A HA 0.301 4.620 4.320 -0.001 0.000 0.248 482 A C 0.575 177.879 177.584 -0.467 0.000 1.654 482 A CA -0.424 51.387 52.037 -0.376 0.000 0.860 482 A CB -0.382 18.553 19.000 -0.109 0.000 1.696 482 A HN 0.611 nan 8.150 nan 0.000 0.576 483 F N -1.295 118.466 119.950 -0.316 0.000 2.641 483 F HA 0.227 4.753 4.527 -0.001 0.000 0.298 483 F C 0.401 176.178 175.800 -0.039 0.000 1.146 483 F CA 0.980 58.890 58.000 -0.151 0.000 1.464 483 F CB -0.004 38.961 39.000 -0.058 0.000 1.101 483 F HN 0.183 nan 8.300 nan 0.000 0.585 484 L N 0.374 121.642 121.223 0.075 0.000 2.439 484 L HA 0.382 4.721 4.340 -0.001 0.000 0.270 484 L C -1.069 175.868 176.870 0.112 0.000 0.972 484 L CA -0.875 54.024 54.840 0.097 0.000 0.836 484 L CB 1.849 43.971 42.059 0.106 0.000 1.255 484 L HN -0.273 nan 8.230 nan 0.000 0.404 485 V N 2.424 122.454 119.914 0.193 0.000 2.364 485 V HA 0.605 4.724 4.120 -0.001 0.000 0.272 485 V C 0.038 176.393 176.094 0.436 0.000 1.036 485 V CA 0.072 62.553 62.300 0.301 0.000 0.880 485 V CB 1.352 33.396 31.823 0.368 0.000 0.991 485 V HN 0.761 nan 8.190 nan 0.000 0.460 486 S N 7.313 123.170 115.700 0.263 0.000 2.646 486 S HA 0.617 5.086 4.470 -0.001 0.000 0.276 486 S C -2.560 171.934 174.600 -0.177 0.000 1.222 486 S CA -0.929 57.306 58.200 0.058 0.000 1.014 486 S CB 1.322 64.500 63.200 -0.037 0.000 0.991 486 S HN 0.827 nan 8.310 nan 0.000 0.533 487 P HA 0.172 nan 4.420 nan 0.000 0.275 487 P C -0.554 176.583 177.300 -0.272 0.000 1.227 487 P CA -0.485 62.079 63.100 -0.893 0.000 0.781 487 P CB 0.225 31.253 31.700 -1.121 0.000 0.906 488 S N 3.305 118.934 115.700 -0.118 0.000 2.563 488 S HA 0.143 4.612 4.470 -0.001 0.000 0.284 488 S C -2.198 172.389 174.600 -0.022 0.000 1.331 488 S CA -0.956 57.222 58.200 -0.038 0.000 1.047 488 S CB -1.247 61.960 63.200 0.011 0.000 0.859 488 S HN 0.323 nan 8.310 nan 0.000 0.514 489 P HA 0.165 nan 4.420 nan 0.000 0.261 489 P C -0.819 176.458 177.300 -0.039 0.000 1.183 489 P CA 0.256 63.293 63.100 -0.104 0.000 0.761 489 P CB -0.222 31.409 31.700 -0.116 0.000 0.785 490 Y N 0.186 120.375 120.300 -0.186 0.000 2.545 490 Y HA 0.645 5.194 4.550 -0.001 0.000 0.348 490 Y C -0.292 175.480 175.900 -0.214 0.000 1.002 490 Y CA -1.423 56.566 58.100 -0.186 0.000 1.039 490 Y CB 1.645 39.984 38.460 -0.203 0.000 1.271 490 Y HN 0.378 nan 8.280 nan 0.000 0.467 491 E N 4.396 124.504 120.200 -0.154 0.000 2.235 491 E HA 0.717 5.067 4.350 -0.001 0.000 0.265 491 E C -1.201 175.318 176.600 -0.135 0.000 0.940 491 E CA -1.166 55.066 56.400 -0.281 0.000 0.819 491 E CB 2.948 32.508 29.700 -0.234 0.000 1.206 491 E HN 0.885 nan 8.360 nan 0.000 0.409 492 L N -1.430 119.612 121.223 -0.302 0.000 2.359 492 L HA 0.785 5.124 4.340 -0.001 0.000 0.256 492 L C -1.264 175.486 176.870 -0.200 0.000 1.026 492 L CA -1.099 53.647 54.840 -0.156 0.000 0.828 492 L CB 2.056 44.086 42.059 -0.047 0.000 1.406 492 L HN 0.659 nan 8.230 nan 0.000 0.413 493 C N 1.791 121.087 119.300 -0.008 0.000 2.355 493 C HA 0.845 5.304 4.460 -0.001 0.000 0.332 493 C C 0.631 175.697 174.990 0.126 0.000 1.255 493 C CA -0.260 58.797 59.018 0.065 0.000 1.792 493 C CB 0.887 28.668 27.740 0.067 0.000 2.300 493 C HN 0.872 nan 8.230 nan 0.000 0.515 494 A N 3.175 126.081 122.820 0.143 0.000 2.267 494 A HA 0.728 5.048 4.320 -0.001 0.000 0.315 494 A C -0.453 177.188 177.584 0.095 0.000 1.297 494 A CA -0.295 51.730 52.037 -0.021 0.000 0.865 494 A CB 0.401 19.297 19.000 -0.172 0.000 1.165 494 A HN 1.086 nan 8.150 nan 0.000 0.513 495 V N 1.182 121.160 119.914 0.108 0.000 2.555 495 V HA 0.639 4.759 4.120 -0.001 0.000 0.302 495 V C -2.774 173.424 176.094 0.174 0.000 1.038 495 V CA -2.577 59.822 62.300 0.165 0.000 0.887 495 V CB 1.342 33.217 31.823 0.087 0.000 0.991 495 V HN 0.622 nan 8.190 nan 0.000 0.434 496 P HA 0.316 nan 4.420 nan 0.000 0.272 496 P C -0.393 176.893 177.300 -0.024 0.000 1.248 496 P CA -0.129 62.969 63.100 -0.004 0.000 0.799 496 P CB 0.505 32.201 31.700 -0.007 0.000 0.997 497 R N 0.000 120.459 120.500 -0.068 0.000 2.786 497 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 497 R CA 0.000 56.071 56.100 -0.049 0.000 0.921 497 R CB 0.000 30.260 30.300 -0.067 0.000 0.687 497 R HN 0.000 nan 8.270 nan 0.000 0.535