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 1foo_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.966 3.960 0.010 0.000 0.244 67 G C 0.000 174.849 174.900 -0.085 0.000 0.946 67 G CA 0.000 45.078 45.100 -0.037 0.000 0.502 68 P HA 0.295 nan 4.420 nan 0.000 0.266 68 P C -0.396 176.891 177.300 -0.022 0.000 1.195 68 P CA 0.126 63.123 63.100 -0.172 0.000 0.768 68 P CB 0.525 31.904 31.700 -0.535 0.000 0.838 69 K N 2.751 123.081 120.400 -0.117 0.000 3.192 69 K HA 0.248 4.574 4.320 0.010 0.000 0.269 69 K C -0.587 175.654 176.600 -0.598 0.000 1.270 69 K CA 0.077 56.181 56.287 -0.305 0.000 1.249 69 K CB -0.415 31.858 32.500 -0.379 0.000 1.528 69 K HN 0.388 nan 8.250 nan 0.000 0.360 70 F N -0.229 119.763 119.950 0.071 0.000 2.643 70 F HA 0.319 4.852 4.527 0.010 0.000 0.314 70 F C -2.270 173.627 175.800 0.163 0.000 1.096 70 F CA -2.953 55.104 58.000 0.094 0.000 0.953 70 F CB 0.900 39.958 39.000 0.097 0.000 1.345 70 F HN -0.069 nan 8.300 nan 0.000 0.468 71 P HA 0.058 nan 4.420 nan 0.000 0.262 71 P C -0.848 176.510 177.300 0.097 0.000 1.182 71 P CA -0.034 63.162 63.100 0.159 0.000 0.761 71 P CB 0.455 32.225 31.700 0.118 0.000 0.795 72 R N 3.317 123.803 120.500 -0.024 0.000 2.202 72 R HA 0.360 4.706 4.340 0.010 0.000 0.334 72 R C -1.139 175.034 176.300 -0.211 0.000 1.036 72 R CA -0.519 55.385 56.100 -0.327 0.000 0.878 72 R CB 0.405 30.546 30.300 -0.264 0.000 1.067 72 R HN 0.229 nan 8.270 nan 0.000 0.457 73 V N 5.259 125.026 119.914 -0.246 0.000 2.398 73 V HA 0.338 4.464 4.120 0.010 0.000 0.286 73 V C -0.057 175.947 176.094 -0.150 0.000 1.026 73 V CA -0.635 61.597 62.300 -0.114 0.000 0.868 73 V CB 1.432 33.230 31.823 -0.042 0.000 0.982 73 V HN 0.696 nan 8.190 nan 0.000 0.443 74 K N 3.828 124.161 120.400 -0.113 0.000 2.259 74 K HA 0.445 4.771 4.320 0.010 0.000 0.249 74 K C -0.698 175.825 176.600 -0.130 0.000 0.942 74 K CA -0.748 55.404 56.287 -0.227 0.000 0.816 74 K CB 1.562 33.771 32.500 -0.485 0.000 1.155 74 K HN 0.699 nan 8.250 nan 0.000 0.428 75 N N 3.914 122.522 118.700 -0.154 0.000 2.476 75 N HA 0.120 4.866 4.740 0.010 0.000 0.257 75 N C -0.395 175.095 175.510 -0.032 0.000 0.970 75 N CA -0.415 52.656 53.050 0.034 0.000 0.938 75 N CB 0.501 39.028 38.487 0.066 0.000 1.144 75 N HN 0.670 nan 8.380 nan 0.000 0.500 76 W N 2.025 123.399 121.300 0.124 0.000 2.699 76 W HA 0.113 4.779 4.660 0.010 0.000 0.249 76 W C 2.023 178.576 176.519 0.057 0.000 1.280 76 W CA -0.048 57.356 57.345 0.099 0.000 1.345 76 W CB 0.243 29.785 29.460 0.137 0.000 1.128 76 W HN 0.650 nan 8.180 nan 0.000 0.642 77 E N 0.488 120.822 120.200 0.224 0.000 2.060 77 E HA -0.101 4.255 4.350 0.010 0.000 0.189 77 E C 1.735 178.364 176.600 0.048 0.000 0.974 77 E CA 0.977 57.413 56.400 0.059 0.000 0.808 77 E CB -0.199 29.517 29.700 0.027 0.000 0.768 77 E HN 0.257 nan 8.360 nan 0.000 0.453 78 L N -0.839 120.414 121.223 0.050 0.000 2.554 78 L HA 0.302 4.648 4.340 0.010 0.000 0.225 78 L C 1.533 178.392 176.870 -0.018 0.000 1.104 78 L CA 0.404 55.254 54.840 0.017 0.000 0.866 78 L CB 0.433 42.505 42.059 0.022 0.000 1.047 78 L HN 0.398 nan 8.230 nan 0.000 0.468 79 G N 0.737 109.505 108.800 -0.053 0.000 2.168 79 G HA2 -0.322 3.644 3.960 0.010 0.000 0.263 79 G HA3 -0.322 3.644 3.960 0.010 0.000 0.263 79 G C 0.416 175.234 174.900 -0.137 0.000 0.977 79 G CA 0.520 45.545 45.100 -0.125 0.000 0.659 79 G HN 0.484 nan 8.290 nan 0.000 0.533 80 S N -0.209 115.430 115.700 -0.102 0.000 2.617 80 S HA 0.806 5.282 4.470 0.010 0.000 0.269 80 S C 0.131 174.653 174.600 -0.130 0.000 1.292 80 S CA -0.682 57.465 58.200 -0.088 0.000 1.010 80 S CB 2.099 65.272 63.200 -0.046 0.000 0.944 80 S HN 0.465 nan 8.310 nan 0.000 0.536 81 I N 1.622 122.124 120.570 -0.115 0.000 2.730 81 I HA 0.583 4.759 4.170 0.010 0.000 0.298 81 I C 0.047 176.083 176.117 -0.135 0.000 1.089 81 I CA -0.275 60.925 61.300 -0.167 0.000 1.041 81 I CB 1.931 39.819 38.000 -0.187 0.000 1.235 81 I HN 1.071 nan 8.210 nan 0.000 0.423 82 T N 1.292 115.719 114.554 -0.213 0.000 2.864 82 T HA 0.690 5.046 4.350 0.010 0.000 0.299 82 T C -1.408 173.116 174.700 -0.294 0.000 1.166 82 T CA -0.702 61.323 62.100 -0.125 0.000 1.007 82 T CB 1.946 70.783 68.868 -0.052 0.000 1.219 82 T HN 0.263 nan 8.240 nan 0.000 0.506 83 Y N 0.277 120.565 120.300 -0.020 0.000 2.393 83 Y HA 0.525 5.081 4.550 0.010 0.000 0.341 83 Y C -0.033 175.835 175.900 -0.054 0.000 0.988 83 Y CA -0.939 57.158 58.100 -0.005 0.000 1.078 83 Y CB 1.763 40.227 38.460 0.007 0.000 1.203 83 Y HN 0.723 nan 8.280 nan 0.000 0.453 84 D N 1.797 122.257 120.400 0.101 0.000 2.359 84 D HA 0.105 4.751 4.640 0.010 0.000 0.230 84 D C 0.619 176.868 176.300 -0.084 0.000 1.118 84 D CA 0.034 54.048 54.000 0.024 0.000 0.844 84 D CB 1.293 42.145 40.800 0.085 0.000 1.059 84 D HN 0.794 nan 8.370 nan 0.000 0.493 85 T N 1.067 115.438 114.554 -0.305 0.000 3.022 85 T HA -0.041 4.315 4.350 0.010 0.000 0.250 85 T C 1.815 176.357 174.700 -0.263 0.000 1.060 85 T CA -0.221 61.496 62.100 -0.638 0.000 1.013 85 T CB 0.108 68.406 68.868 -0.950 0.000 0.982 85 T HN 0.254 nan 8.240 nan 0.000 0.508 86 L N 2.415 123.540 121.223 -0.163 0.000 2.141 86 L HA 0.070 4.416 4.340 0.010 0.000 0.209 86 L C 2.587 179.328 176.870 -0.216 0.000 1.094 86 L CA 1.185 55.967 54.840 -0.096 0.000 0.763 86 L CB -0.904 41.174 42.059 0.032 0.000 0.908 86 L HN 0.651 nan 8.230 nan 0.000 0.437 87 C N -1.557 117.438 119.300 -0.508 0.000 2.422 87 C HA 0.061 4.527 4.460 0.010 0.000 0.286 87 C C 2.775 177.561 174.990 -0.340 0.000 1.412 87 C CA 0.142 58.591 59.018 -0.948 0.000 1.786 87 C CB -2.272 24.882 27.740 -0.976 0.000 1.835 87 C HN 0.579 nan 8.230 nan 0.000 0.533 88 A N 0.068 122.823 122.820 -0.109 0.000 2.067 88 A HA -0.085 4.241 4.320 0.010 0.000 0.219 88 A C 2.231 179.811 177.584 -0.007 0.000 1.158 88 A CA 1.372 53.419 52.037 0.017 0.000 0.661 88 A CB -0.404 18.700 19.000 0.174 0.000 0.801 88 A HN 0.660 nan 8.150 nan 0.000 0.452 89 Q N -0.002 119.780 119.800 -0.030 0.000 2.425 89 Q HA 0.085 4.431 4.340 0.010 0.000 0.204 89 Q C 0.775 176.791 176.000 0.026 0.000 0.933 89 Q CA 0.322 56.130 55.803 0.009 0.000 0.939 89 Q CB -0.351 28.401 28.738 0.022 0.000 1.044 89 Q HN 0.507 nan 8.270 nan 0.000 0.513 90 S N 0.823 116.527 115.700 0.005 0.000 2.516 90 S HA 0.044 4.520 4.470 0.010 0.000 0.282 90 S C 0.695 175.321 174.600 0.043 0.000 1.286 90 S CA 0.071 58.303 58.200 0.055 0.000 1.066 90 S CB 0.482 63.721 63.200 0.065 0.000 0.884 90 S HN 0.216 nan 8.310 nan 0.000 0.491 91 Q N 2.652 122.484 119.800 0.053 0.000 2.194 91 Q HA 0.205 4.551 4.340 0.010 0.000 0.214 91 Q C -0.620 175.404 176.000 0.040 0.000 0.838 91 Q CA 0.075 55.904 55.803 0.043 0.000 0.972 91 Q CB 0.726 29.492 28.738 0.046 0.000 1.131 91 Q HN 0.701 nan 8.270 nan 0.000 0.498 92 Q N 0.797 120.626 119.800 0.047 0.000 2.292 92 Q HA 0.231 4.577 4.340 0.010 0.000 0.270 92 Q C -1.420 174.608 176.000 0.047 0.000 1.024 92 Q CA -0.645 55.182 55.803 0.041 0.000 0.768 92 Q CB 1.877 30.636 28.738 0.035 0.000 1.250 92 Q HN -0.004 nan 8.270 nan 0.000 0.447 93 D N 1.577 122.000 120.400 0.038 0.000 2.414 93 D HA 0.223 4.869 4.640 0.010 0.000 0.242 93 D C 0.419 176.745 176.300 0.043 0.000 1.129 93 D CA 0.349 54.373 54.000 0.040 0.000 0.885 93 D CB 1.112 41.930 40.800 0.030 0.000 1.198 93 D HN 0.626 nan 8.370 nan 0.000 0.437 94 G N 0.886 109.717 108.800 0.051 0.000 2.531 94 G HA2 0.325 4.291 3.960 0.010 0.000 0.281 94 G HA3 0.325 4.291 3.960 0.010 0.000 0.281 94 G C -1.660 173.266 174.900 0.043 0.000 1.382 94 G CA -0.667 44.463 45.100 0.050 0.000 1.045 94 G HN 0.316 nan 8.290 nan 0.000 0.533 95 P HA 0.142 nan 4.420 nan 0.000 0.245 95 P C 0.392 177.715 177.300 0.037 0.000 1.203 95 P CA 0.013 63.137 63.100 0.040 0.000 0.792 95 P CB 0.192 31.919 31.700 0.044 0.000 0.997 96 C N 0.749 120.073 119.300 0.041 0.000 2.500 96 C HA 0.616 5.082 4.460 0.010 0.000 0.367 96 C C 1.049 176.057 174.990 0.030 0.000 1.283 96 C CA 0.221 59.260 59.018 0.036 0.000 2.456 96 C CB 0.802 28.567 27.740 0.042 0.000 2.457 96 C HN 0.358 nan 8.230 nan 0.000 0.632 97 T N -2.164 112.405 114.554 0.024 0.000 2.843 97 T HA 0.392 4.748 4.350 0.010 0.000 0.302 97 T C -2.568 172.142 174.700 0.016 0.000 1.232 97 T CA -1.008 61.103 62.100 0.019 0.000 1.009 97 T CB 1.255 70.132 68.868 0.016 0.000 1.254 97 T HN 0.258 nan 8.240 nan 0.000 0.504 98 P HA 0.008 nan 4.420 nan 0.000 0.221 98 P C 1.573 178.878 177.300 0.009 0.000 1.145 98 P CA 0.617 63.723 63.100 0.010 0.000 0.795 98 P CB 0.154 31.858 31.700 0.007 0.000 0.775 99 R N -0.366 120.140 120.500 0.009 0.000 2.073 99 R HA 0.030 4.376 4.340 0.010 0.000 0.229 99 R C 1.066 177.371 176.300 0.009 0.000 1.120 99 R CA 1.073 57.178 56.100 0.008 0.000 0.967 99 R CB -0.220 30.085 30.300 0.008 0.000 0.862 99 R HN 0.289 nan 8.270 nan 0.000 0.436 100 R N -0.343 120.164 120.500 0.011 0.000 2.629 100 R HA 0.162 4.508 4.340 0.010 0.000 0.266 100 R C -1.420 174.890 176.300 0.017 0.000 1.051 100 R CA -0.695 55.413 56.100 0.012 0.000 0.895 100 R CB 0.318 30.625 30.300 0.012 0.000 1.246 100 R HN 0.022 nan 8.270 nan 0.000 0.459 101 C N 3.864 123.174 119.300 0.017 0.000 2.347 101 C HA 0.555 5.021 4.460 0.010 0.000 0.353 101 C C 0.779 175.787 174.990 0.030 0.000 1.273 101 C CA -0.650 58.382 59.018 0.023 0.000 1.861 101 C CB -0.908 26.841 27.740 0.016 0.000 2.420 101 C HN 0.755 nan 8.230 nan 0.000 0.542 102 L N 5.841 127.088 121.223 0.039 0.000 3.110 102 L HA 0.282 4.628 4.340 0.010 0.000 0.266 102 L C 2.045 178.954 176.870 0.065 0.000 1.257 102 L CA 0.204 55.072 54.840 0.048 0.000 1.038 102 L CB -0.088 41.997 42.059 0.044 0.000 1.395 102 L HN 1.027 nan 8.230 nan 0.000 0.566 103 G N 0.341 109.182 108.800 0.069 0.000 2.462 103 G HA2 -0.277 3.689 3.960 0.010 0.000 0.220 103 G HA3 -0.277 3.689 3.960 0.010 0.000 0.220 103 G C 1.640 176.620 174.900 0.133 0.000 1.121 103 G CA 1.184 46.340 45.100 0.093 0.000 0.758 103 G HN 0.519 nan 8.290 nan 0.000 0.559 104 S N -0.475 115.299 115.700 0.123 0.000 2.527 104 S HA 0.249 4.725 4.470 0.010 0.000 0.222 104 S C 0.796 175.498 174.600 0.169 0.000 0.985 104 S CA -0.378 57.916 58.200 0.156 0.000 0.921 104 S CB -0.099 63.166 63.200 0.110 0.000 0.772 104 S HN -0.009 nan 8.310 nan 0.000 0.529 105 L N 2.491 123.795 121.223 0.135 0.000 2.462 105 L HA 0.174 4.520 4.340 0.010 0.000 0.272 105 L C 1.401 178.382 176.870 0.184 0.000 1.166 105 L CA 0.249 55.166 54.840 0.128 0.000 0.880 105 L CB 0.539 42.650 42.059 0.087 0.000 1.142 105 L HN 0.004 nan 8.230 nan 0.000 0.473 106 V N 4.267 124.306 119.914 0.207 0.000 2.323 106 V HA -0.122 4.004 4.120 0.010 0.000 0.244 106 V C 0.971 177.174 176.094 0.182 0.000 1.041 106 V CA 1.283 63.761 62.300 0.296 0.000 1.025 106 V CB -0.264 31.730 31.823 0.285 0.000 0.656 106 V HN 0.527 nan 8.190 nan 0.000 0.451 107 L N 2.873 124.146 121.223 0.083 0.000 2.445 107 L HA 0.386 4.732 4.340 0.010 0.000 0.252 107 L C -2.457 174.444 176.870 0.051 0.000 1.105 107 L CA -1.180 53.679 54.840 0.031 0.000 0.943 107 L CB 1.102 43.102 42.059 -0.099 0.000 1.277 107 L HN 0.216 nan 8.230 nan 0.000 0.465 108 P HA 0.216 nan 4.420 nan 0.000 0.286 108 P C -0.296 177.035 177.300 0.052 0.000 1.269 108 P CA -0.685 62.450 63.100 0.058 0.000 0.787 108 P CB 1.176 32.912 31.700 0.061 0.000 0.920 109 R N 3.304 123.825 120.500 0.035 0.000 3.955 109 R HA 0.034 4.380 4.340 0.010 0.000 0.170 109 R C 0.783 177.101 176.300 0.031 0.000 1.821 109 R CA 0.355 56.472 56.100 0.028 0.000 1.329 109 R CB -0.440 29.870 30.300 0.016 0.000 1.345 109 R HN 0.461 nan 8.270 nan 0.000 0.763 110 K N -0.068 120.357 120.400 0.040 0.000 2.847 110 K HA 0.150 4.476 4.320 0.010 0.000 0.251 110 K C 1.881 178.500 176.600 0.032 0.000 1.299 110 K CA -0.048 56.259 56.287 0.035 0.000 0.926 110 K CB -0.705 31.817 32.500 0.037 0.000 1.824 110 K HN 0.007 nan 8.250 nan 0.000 0.388 111 L N 2.222 123.466 121.223 0.035 0.000 2.043 111 L HA -0.106 4.240 4.340 0.010 0.000 0.212 111 L C 0.915 177.806 176.870 0.034 0.000 1.075 111 L CA 0.983 55.837 54.840 0.024 0.000 0.752 111 L CB -1.213 40.849 42.059 0.005 0.000 0.891 111 L HN 0.337 nan 8.230 nan 0.000 0.432 112 Q N 1.479 121.316 119.800 0.062 0.000 4.078 112 Q HA -0.191 4.155 4.340 0.010 0.000 0.380 112 Q C 0.179 176.196 176.000 0.028 0.000 1.164 112 Q CA 0.819 56.658 55.803 0.061 0.000 1.246 112 Q CB -0.462 28.301 28.738 0.042 0.000 1.084 112 Q HN 0.507 nan 8.270 nan 0.000 0.492 113 T N 2.051 116.622 114.554 0.028 0.000 4.475 113 T HA 0.260 4.616 4.350 0.010 0.000 0.254 113 T C 0.228 174.922 174.700 -0.009 0.000 1.160 113 T CA -0.727 61.377 62.100 0.006 0.000 1.091 113 T CB -0.032 68.840 68.868 0.006 0.000 1.377 113 T HN 0.407 nan 8.240 nan 0.000 1.057 114 R N 2.769 123.260 120.500 -0.014 0.000 2.583 114 R HA 0.173 4.519 4.340 0.010 0.000 0.274 114 R C -2.421 173.860 176.300 -0.032 0.000 0.998 114 R CA -1.667 54.415 56.100 -0.029 0.000 1.081 114 R CB -0.459 29.826 30.300 -0.025 0.000 0.940 114 R HN 0.283 nan 8.270 nan 0.000 0.413 115 P HA -0.035 nan 4.420 nan 0.000 0.250 115 P C -0.994 176.289 177.300 -0.029 0.000 1.161 115 P CA 0.540 63.616 63.100 -0.039 0.000 0.863 115 P CB 0.270 31.940 31.700 -0.050 0.000 0.827 116 S N 3.886 119.571 115.700 -0.025 0.000 3.170 116 S HA 0.315 4.791 4.470 0.010 0.000 0.257 116 S C -1.554 173.035 174.600 -0.018 0.000 1.284 116 S CA -1.117 57.071 58.200 -0.020 0.000 0.973 116 S CB 0.170 63.358 63.200 -0.020 0.000 1.330 116 S HN 0.190 nan 8.310 nan 0.000 0.493 117 P HA -0.015 nan 4.420 nan 0.000 0.205 117 P C 1.042 178.337 177.300 -0.008 0.000 1.164 117 P CA 1.093 64.186 63.100 -0.011 0.000 0.938 117 P CB -0.647 31.049 31.700 -0.008 0.000 0.777 118 G N 1.127 109.924 108.800 -0.005 0.000 2.287 118 G HA2 0.119 4.085 3.960 0.010 0.000 0.235 118 G HA3 0.119 4.085 3.960 0.010 0.000 0.235 118 G C -2.260 172.637 174.900 -0.004 0.000 1.258 118 G CA -0.491 44.607 45.100 -0.003 0.000 0.884 118 G HN 0.156 nan 8.290 nan 0.000 0.518 119 P HA 0.051 nan 4.420 nan 0.000 0.264 119 P C -1.853 175.446 177.300 -0.002 0.000 1.173 119 P CA -0.394 62.705 63.100 -0.003 0.000 0.761 119 P CB 0.133 31.835 31.700 0.004 0.000 0.794 120 P HA 0.206 nan 4.420 nan 0.000 0.275 120 P C -2.512 174.793 177.300 0.009 0.000 1.227 120 P CA -1.645 61.455 63.100 -0.000 0.000 0.781 120 P CB -0.411 31.286 31.700 -0.005 0.000 0.906 121 P HA -0.054 nan 4.420 nan 0.000 0.253 121 P C 1.057 178.367 177.300 0.017 0.000 1.170 121 P CA 0.451 63.558 63.100 0.012 0.000 0.806 121 P CB -0.135 31.571 31.700 0.010 0.000 0.775 122 A N 4.086 126.917 122.820 0.019 0.000 1.997 122 A HA -0.285 4.041 4.320 0.010 0.000 0.221 122 A C 2.127 179.722 177.584 0.019 0.000 1.172 122 A CA 1.912 53.963 52.037 0.024 0.000 0.645 122 A CB -0.777 18.236 19.000 0.021 0.000 0.813 122 A HN 0.568 nan 8.150 nan 0.000 0.454 123 E N -1.023 119.185 120.200 0.014 0.000 2.072 123 E HA -0.219 4.137 4.350 0.010 0.000 0.190 123 E C 2.256 178.865 176.600 0.015 0.000 0.982 123 E CA 1.145 57.552 56.400 0.011 0.000 0.803 123 E CB -0.125 29.580 29.700 0.009 0.000 0.755 123 E HN 0.823 nan 8.360 nan 0.000 0.453 124 Q N 0.302 120.113 119.800 0.019 0.000 2.123 124 Q HA -0.166 4.180 4.340 0.010 0.000 0.199 124 Q C 2.274 178.294 176.000 0.034 0.000 0.966 124 Q CA 0.977 56.794 55.803 0.023 0.000 0.845 124 Q CB -0.041 28.708 28.738 0.019 0.000 0.907 124 Q HN 0.291 nan 8.270 nan 0.000 0.439 125 L N 0.551 121.798 121.223 0.039 0.000 2.056 125 L HA -0.152 4.194 4.340 0.010 0.000 0.207 125 L C 2.089 178.998 176.870 0.065 0.000 1.078 125 L CA 1.421 56.300 54.840 0.066 0.000 0.749 125 L CB -0.772 41.334 42.059 0.078 0.000 0.901 125 L HN 0.333 nan 8.230 nan 0.000 0.433 126 L N -0.325 120.915 121.223 0.028 0.000 2.012 126 L HA -0.204 4.142 4.340 0.010 0.000 0.210 126 L C 2.805 179.676 176.870 0.001 0.000 1.073 126 L CA 2.285 57.119 54.840 -0.011 0.000 0.748 126 L CB -1.238 40.812 42.059 -0.015 0.000 0.891 126 L HN 0.673 nan 8.230 nan 0.000 0.431 127 S N -1.229 114.483 115.700 0.020 0.000 2.382 127 S HA -0.259 4.217 4.470 0.010 0.000 0.228 127 S C 1.805 176.441 174.600 0.059 0.000 1.027 127 S CA 1.143 59.361 58.200 0.031 0.000 0.991 127 S CB -0.460 62.757 63.200 0.029 0.000 0.823 127 S HN 0.518 nan 8.310 nan 0.000 0.469 128 Q N 1.005 120.848 119.800 0.072 0.000 2.119 128 Q HA 0.072 4.418 4.340 0.010 0.000 0.201 128 Q C 2.616 178.715 176.000 0.164 0.000 0.972 128 Q CA 1.317 57.184 55.803 0.107 0.000 0.847 128 Q CB -0.495 28.299 28.738 0.093 0.000 0.903 128 Q HN 0.781 nan 8.270 nan 0.000 0.433 129 A N 1.247 124.146 122.820 0.132 0.000 1.898 129 A HA -0.180 4.146 4.320 0.010 0.000 0.216 129 A C 1.975 179.630 177.584 0.118 0.000 1.181 129 A CA 1.168 53.277 52.037 0.119 0.000 0.620 129 A CB -0.345 18.509 19.000 -0.243 0.000 0.819 129 A HN 0.210 nan 8.150 nan 0.000 0.442 130 R N -0.503 120.030 120.500 0.055 0.000 2.096 130 R HA -0.154 4.192 4.340 0.010 0.000 0.235 130 R C 1.974 178.349 176.300 0.125 0.000 1.127 130 R CA 1.560 57.700 56.100 0.066 0.000 0.968 130 R CB -0.506 29.810 30.300 0.027 0.000 0.861 130 R HN 0.718 nan 8.270 nan 0.000 0.440 131 D N 0.327 120.811 120.400 0.139 0.000 2.104 131 D HA -0.217 4.429 4.640 0.010 0.000 0.194 131 D C 1.657 178.081 176.300 0.207 0.000 0.994 131 D CA 1.085 55.177 54.000 0.154 0.000 0.830 131 D CB -0.079 40.809 40.800 0.147 0.000 0.959 131 D HN 0.128 nan 8.370 nan 0.000 0.452 132 F N 0.824 120.862 119.950 0.148 0.000 2.102 132 F HA -0.087 4.445 4.527 0.009 0.000 0.298 132 F C 1.959 177.905 175.800 0.243 0.000 1.105 132 F CA 1.045 59.169 58.000 0.206 0.000 1.239 132 F CB -0.250 38.878 39.000 0.213 0.000 0.991 132 F HN 0.016 nan 8.300 nan 0.000 0.474 133 I N 0.848 121.436 120.570 0.030 0.000 2.361 133 I HA -0.295 3.881 4.170 0.010 0.000 0.251 133 I C 1.895 178.045 176.117 0.055 0.000 1.133 133 I CA 1.141 62.461 61.300 0.034 0.000 1.413 133 I CB -1.597 36.526 38.000 0.206 0.000 1.073 133 I HN 0.239 nan 8.210 nan 0.000 0.424 134 N N 0.873 119.626 118.700 0.089 0.000 2.142 134 N HA -0.166 4.580 4.740 0.010 0.000 0.186 134 N C 1.841 177.298 175.510 -0.088 0.000 1.023 134 N CA 1.011 54.097 53.050 0.059 0.000 0.852 134 N CB -0.313 38.260 38.487 0.144 0.000 0.998 134 N HN 0.483 nan 8.380 nan 0.000 0.424 135 Q N -0.593 119.165 119.800 -0.071 0.000 2.084 135 Q HA -0.175 4.171 4.340 0.010 0.000 0.202 135 Q C 1.737 177.515 176.000 -0.370 0.000 0.978 135 Q CA 1.237 57.004 55.803 -0.060 0.000 0.844 135 Q CB -0.238 28.601 28.738 0.169 0.000 0.898 135 Q HN 0.445 nan 8.270 nan 0.000 0.426 136 Y N -0.039 119.813 120.300 -0.747 0.000 2.145 136 Y HA -0.281 4.275 4.550 0.009 0.000 0.286 136 Y C 1.686 177.034 175.900 -0.920 0.000 1.145 136 Y CA 1.574 58.965 58.100 -1.182 0.000 1.148 136 Y CB -0.441 37.406 38.460 -1.022 0.000 0.981 136 Y HN 0.084 nan 8.280 nan 0.000 0.507 137 Y N -0.503 119.375 120.300 -0.703 0.000 2.352 137 Y HA -0.171 4.386 4.550 0.011 0.000 0.292 137 Y C 2.722 178.290 175.900 -0.552 0.000 1.136 137 Y CA 1.550 59.223 58.100 -0.711 0.000 1.227 137 Y CB -0.406 37.495 38.460 -0.932 0.000 0.991 137 Y HN 0.088 nan 8.280 nan 0.000 0.545 138 S N -0.761 114.720 115.700 -0.365 0.000 2.371 138 S HA -0.188 4.288 4.470 0.010 0.000 0.224 138 S C 2.278 176.706 174.600 -0.287 0.000 1.029 138 S CA 1.259 59.318 58.200 -0.234 0.000 0.978 138 S CB -0.545 62.572 63.200 -0.138 0.000 0.833 138 S HN 0.631 nan 8.310 nan 0.000 0.466 139 S N 2.554 117.988 115.700 -0.444 0.000 2.399 139 S HA -0.074 4.402 4.470 0.010 0.000 0.231 139 S C 1.581 175.933 174.600 -0.413 0.000 1.022 139 S CA 1.156 59.113 58.200 -0.404 0.000 0.983 139 S CB -0.822 62.004 63.200 -0.624 0.000 0.803 139 S HN 0.714 nan 8.310 nan 0.000 0.480 140 I N -2.994 117.223 120.570 -0.588 0.000 3.891 140 I HA 0.406 4.582 4.170 0.010 0.000 0.331 140 I C -0.388 175.559 176.117 -0.283 0.000 1.406 140 I CA -0.597 60.429 61.300 -0.456 0.000 1.139 140 I CB -0.163 37.459 38.000 -0.630 0.000 1.056 140 I HN -0.137 nan 8.210 nan 0.000 0.399 141 K N 2.360 122.621 120.400 -0.231 0.000 3.148 141 K HA -0.157 4.169 4.320 0.010 0.000 0.267 141 K C -0.113 176.434 176.600 -0.089 0.000 0.996 141 K CA 0.484 56.692 56.287 -0.133 0.000 0.737 141 K CB -1.490 30.952 32.500 -0.097 0.000 1.308 141 K HN 0.604 nan 8.250 nan 0.000 0.470 142 R N -0.802 119.652 120.500 -0.077 0.000 2.615 142 R HA 0.068 4.414 4.340 0.010 0.000 0.448 142 R C 0.040 176.394 176.300 0.089 0.000 1.009 142 R CA -0.279 55.837 56.100 0.026 0.000 1.111 142 R CB 0.896 31.246 30.300 0.084 0.000 1.461 142 R HN 0.194 nan 8.270 nan 0.000 0.587 143 S N -0.192 115.531 115.700 0.039 0.000 2.516 143 S HA 0.332 4.808 4.470 0.010 0.000 0.282 143 S C 1.352 176.060 174.600 0.179 0.000 1.286 143 S CA 1.474 59.752 58.200 0.129 0.000 1.066 143 S CB 0.477 63.711 63.200 0.056 0.000 0.884 143 S HN 0.723 nan 8.310 nan 0.000 0.491 144 G N 3.270 112.253 108.800 0.304 0.000 2.217 144 G HA2 -0.288 3.678 3.960 0.010 0.000 0.246 144 G HA3 -0.288 3.678 3.960 0.010 0.000 0.246 144 G C 0.363 175.269 174.900 0.010 0.000 0.990 144 G CA 0.381 45.515 45.100 0.056 0.000 0.627 144 G HN 1.712 nan 8.290 nan 0.000 0.522 145 S N -0.211 115.522 115.700 0.056 0.000 2.587 145 S HA 0.346 4.822 4.470 0.010 0.000 0.260 145 S C 1.316 175.901 174.600 -0.025 0.000 1.353 145 S CA 0.917 59.130 58.200 0.022 0.000 0.995 145 S CB 1.234 64.469 63.200 0.059 0.000 0.912 145 S HN 0.588 nan 8.310 nan 0.000 0.568 146 Q N 0.546 120.334 119.800 -0.020 0.000 2.119 146 Q HA -0.081 4.265 4.340 0.010 0.000 0.201 146 Q C 2.228 178.199 176.000 -0.048 0.000 0.972 146 Q CA 1.322 57.102 55.803 -0.038 0.000 0.847 146 Q CB -0.687 28.041 28.738 -0.017 0.000 0.903 146 Q HN 0.933 nan 8.270 nan 0.000 0.433 147 A N -0.124 122.688 122.820 -0.013 0.000 1.930 147 A HA -0.225 4.101 4.320 0.010 0.000 0.217 147 A C 1.822 179.274 177.584 -0.220 0.000 1.175 147 A CA 1.593 53.633 52.037 0.006 0.000 0.627 147 A CB -0.886 18.215 19.000 0.168 0.000 0.815 147 A HN 0.677 nan 8.150 nan 0.000 0.443 148 H N -0.777 117.929 119.070 -0.607 0.000 2.299 148 H HA -0.089 4.473 4.556 0.010 0.000 0.302 148 H C 1.853 176.847 175.328 -0.557 0.000 1.078 148 H CA 1.179 56.538 56.048 -1.150 0.000 1.323 148 H CB 0.143 29.442 29.762 -0.771 0.000 1.381 148 H HN 0.397 nan 8.280 nan 0.000 0.498 149 E N 0.654 120.655 120.200 -0.332 0.000 2.150 149 E HA -0.140 4.216 4.350 0.010 0.000 0.193 149 E C 2.030 178.527 176.600 -0.171 0.000 0.985 149 E CA 0.871 57.095 56.400 -0.293 0.000 0.814 149 E CB -0.030 29.537 29.700 -0.222 0.000 0.752 149 E HN 0.704 nan 8.360 nan 0.000 0.466 150 E N 0.459 120.584 120.200 -0.125 0.000 2.107 150 E HA -0.143 4.213 4.350 0.010 0.000 0.191 150 E C 2.145 178.721 176.600 -0.040 0.000 0.982 150 E CA 0.583 56.945 56.400 -0.063 0.000 0.809 150 E CB -0.023 29.659 29.700 -0.031 0.000 0.756 150 E HN -0.080 nan 8.360 nan 0.000 0.459 151 R N 1.384 121.854 120.500 -0.049 0.000 2.092 151 R HA -0.065 4.281 4.340 0.010 0.000 0.231 151 R C 2.000 178.306 176.300 0.011 0.000 1.119 151 R CA 1.092 57.210 56.100 0.030 0.000 0.970 151 R CB -0.539 29.831 30.300 0.117 0.000 0.864 151 R HN 0.161 nan 8.270 nan 0.000 0.440 152 L N 0.238 121.434 121.223 -0.045 0.000 2.083 152 L HA -0.188 4.158 4.340 0.010 0.000 0.209 152 L C 2.252 179.085 176.870 -0.062 0.000 1.083 152 L CA 1.139 55.945 54.840 -0.057 0.000 0.752 152 L CB -0.422 41.565 42.059 -0.120 0.000 0.899 152 L HN 0.222 nan 8.230 nan 0.000 0.433 153 Q N -0.302 119.463 119.800 -0.059 0.000 2.119 153 Q HA -0.239 4.107 4.340 0.010 0.000 0.201 153 Q C 1.951 177.938 176.000 -0.021 0.000 0.972 153 Q CA 1.441 57.219 55.803 -0.043 0.000 0.847 153 Q CB -0.320 28.394 28.738 -0.040 0.000 0.903 153 Q HN 0.568 nan 8.270 nan 0.000 0.433 154 E N 0.355 120.552 120.200 -0.004 0.000 2.110 154 E HA -0.124 4.232 4.350 0.010 0.000 0.193 154 E C 1.918 178.533 176.600 0.024 0.000 0.988 154 E CA 1.010 57.425 56.400 0.024 0.000 0.804 154 E CB 0.246 29.976 29.700 0.050 0.000 0.745 154 E HN 0.103 nan 8.360 nan 0.000 0.458 155 V N 1.449 121.352 119.914 -0.018 0.000 2.307 155 V HA -0.230 3.896 4.120 0.010 0.000 0.245 155 V C 2.061 178.088 176.094 -0.111 0.000 1.045 155 V CA 2.210 64.443 62.300 -0.112 0.000 1.024 155 V CB -0.515 31.134 31.823 -0.290 0.000 0.651 155 V HN 0.305 nan 8.190 nan 0.000 0.449 156 E N 0.502 120.650 120.200 -0.087 0.000 2.110 156 E HA -0.190 4.166 4.350 0.010 0.000 0.193 156 E C 2.272 178.862 176.600 -0.017 0.000 0.988 156 E CA 1.309 57.674 56.400 -0.058 0.000 0.804 156 E CB -0.335 29.335 29.700 -0.050 0.000 0.745 156 E HN 0.612 nan 8.360 nan 0.000 0.458 157 A N 1.570 124.389 122.820 -0.003 0.000 1.855 157 A HA -0.243 4.083 4.320 0.010 0.000 0.215 157 A C 2.112 179.720 177.584 0.041 0.000 1.191 157 A CA 1.575 53.623 52.037 0.017 0.000 0.613 157 A CB -0.488 18.523 19.000 0.019 0.000 0.829 157 A HN 0.262 nan 8.150 nan 0.000 0.442 158 E N -0.185 120.053 120.200 0.064 0.000 2.118 158 E HA -0.155 4.201 4.350 0.010 0.000 0.195 158 E C 1.740 178.409 176.600 0.116 0.000 0.992 158 E CA 1.594 58.061 56.400 0.112 0.000 0.804 158 E CB -0.127 29.683 29.700 0.183 0.000 0.741 158 E HN 0.317 nan 8.360 nan 0.000 0.458 159 V N 0.887 120.857 119.914 0.093 0.000 2.548 159 V HA -0.173 3.953 4.120 0.010 0.000 0.249 159 V C 2.392 178.519 176.094 0.056 0.000 1.055 159 V CA 1.439 63.792 62.300 0.088 0.000 1.065 159 V CB -0.575 31.283 31.823 0.058 0.000 0.681 159 V HN 0.441 nan 8.190 nan 0.000 0.462 160 A N 0.964 123.807 122.820 0.039 0.000 1.883 160 A HA -0.220 4.106 4.320 0.010 0.000 0.217 160 A C 2.484 180.088 177.584 0.034 0.000 1.186 160 A CA 2.514 54.568 52.037 0.028 0.000 0.624 160 A CB -0.642 18.369 19.000 0.019 0.000 0.822 160 A HN 0.683 nan 8.150 nan 0.000 0.444 161 S N -1.912 113.813 115.700 0.042 0.000 2.503 161 S HA -0.007 4.469 4.470 0.010 0.000 0.217 161 S C 1.508 176.138 174.600 0.050 0.000 0.999 161 S CA 1.327 59.552 58.200 0.041 0.000 0.914 161 S CB -0.327 62.897 63.200 0.040 0.000 0.782 161 S HN 0.794 nan 8.310 nan 0.000 0.520 162 T N -4.094 110.498 114.554 0.065 0.000 2.954 162 T HA 0.547 4.903 4.350 0.010 0.000 0.252 162 T C 1.627 176.366 174.700 0.064 0.000 0.983 162 T CA 0.846 62.989 62.100 0.072 0.000 0.941 162 T CB 0.165 69.095 68.868 0.104 0.000 1.141 162 T HN 1.146 nan 8.240 nan 0.000 0.500 163 G N 0.393 109.231 108.800 0.064 0.000 2.217 163 G HA2 -0.175 3.791 3.960 0.010 0.000 0.246 163 G HA3 -0.175 3.791 3.960 0.010 0.000 0.246 163 G C 0.215 175.153 174.900 0.064 0.000 0.990 163 G CA 0.555 45.687 45.100 0.053 0.000 0.627 163 G HN 1.013 nan 8.290 nan 0.000 0.522 164 T N -1.212 113.393 114.554 0.085 0.000 2.654 164 T HA 0.748 5.104 4.350 0.010 0.000 0.289 164 T C -1.020 173.791 174.700 0.185 0.000 1.062 164 T CA 0.407 62.555 62.100 0.081 0.000 1.041 164 T CB 1.581 70.413 68.868 -0.059 0.000 1.417 164 T HN 1.475 nan 8.240 nan 0.000 0.510 165 Y N -0.937 119.305 120.300 -0.097 0.000 2.744 165 Y HA 0.840 5.396 4.550 0.010 0.000 0.330 165 Y C -1.519 174.246 175.900 -0.225 0.000 1.263 165 Y CA -1.202 56.893 58.100 -0.008 0.000 1.065 165 Y CB 0.880 39.368 38.460 0.046 0.000 1.306 165 Y HN 0.761 nan 8.280 nan 0.000 0.459 166 H N 0.316 119.411 119.070 0.042 0.000 2.821 166 H HA 0.666 5.228 4.556 0.010 0.000 0.373 166 H C -1.193 174.182 175.328 0.080 0.000 1.165 166 H CA -0.866 55.150 56.048 -0.053 0.000 1.154 166 H CB 2.041 31.815 29.762 0.020 0.000 1.765 166 H HN 0.709 nan 8.280 nan 0.000 0.549 167 L N 1.857 123.163 121.223 0.138 0.000 2.343 167 L HA 0.511 4.857 4.340 0.010 0.000 0.275 167 L C 0.542 177.486 176.870 0.123 0.000 1.056 167 L CA -0.789 54.151 54.840 0.167 0.000 0.804 167 L CB 1.044 43.177 42.059 0.122 0.000 1.203 167 L HN 0.405 nan 8.230 nan 0.000 0.440 168 R N 0.939 121.489 120.500 0.083 0.000 2.679 168 R HA 0.023 4.369 4.340 0.010 0.000 0.269 168 R C 1.115 177.414 176.300 -0.003 0.000 1.076 168 R CA -0.338 55.781 56.100 0.031 0.000 1.160 168 R CB 0.760 31.054 30.300 -0.009 0.000 1.054 168 R HN 0.678 nan 8.270 nan 0.000 0.507 169 E N 1.105 121.304 120.200 -0.002 0.000 2.048 169 E HA -0.278 4.078 4.350 0.010 0.000 0.202 169 E C 1.583 178.171 176.600 -0.019 0.000 1.021 169 E CA 2.370 58.762 56.400 -0.013 0.000 0.825 169 E CB 0.001 29.698 29.700 -0.004 0.000 0.756 169 E HN 0.683 nan 8.360 nan 0.000 0.454 170 S N 0.077 115.766 115.700 -0.018 0.000 2.419 170 S HA -0.186 4.290 4.470 0.010 0.000 0.233 170 S C 1.716 176.308 174.600 -0.013 0.000 1.016 170 S CA 1.380 59.591 58.200 0.019 0.000 0.974 170 S CB -0.340 62.902 63.200 0.070 0.000 0.786 170 S HN 0.362 nan 8.310 nan 0.000 0.492 171 E N 0.828 120.903 120.200 -0.207 0.000 2.107 171 E HA -0.030 4.326 4.350 0.010 0.000 0.191 171 E C 2.035 178.758 176.600 0.205 0.000 0.982 171 E CA 1.007 57.299 56.400 -0.180 0.000 0.809 171 E CB -0.328 29.266 29.700 -0.177 0.000 0.756 171 E HN 0.450 nan 8.360 nan 0.000 0.459 172 L N 1.023 122.277 121.223 0.051 0.000 2.017 172 L HA -0.154 4.192 4.340 0.010 0.000 0.208 172 L C 2.208 179.058 176.870 -0.033 0.000 1.073 172 L CA 1.419 56.226 54.840 -0.055 0.000 0.745 172 L CB -0.379 41.593 42.059 -0.146 0.000 0.894 172 L HN -0.069 nan 8.230 nan 0.000 0.432 173 V N -0.372 119.555 119.914 0.022 0.000 2.332 173 V HA -0.314 3.812 4.120 0.010 0.000 0.248 173 V C 2.346 178.527 176.094 0.144 0.000 1.055 173 V CA 2.156 64.481 62.300 0.042 0.000 1.038 173 V CB -0.984 30.871 31.823 0.054 0.000 0.651 173 V HN 0.578 nan 8.190 nan 0.000 0.450 174 F N 2.108 122.135 119.950 0.129 0.000 2.102 174 F HA -0.031 4.501 4.527 0.009 0.000 0.298 174 F C 2.185 178.121 175.800 0.226 0.000 1.105 174 F CA 1.758 59.890 58.000 0.219 0.000 1.239 174 F CB -0.974 38.231 39.000 0.341 0.000 0.991 174 F HN 0.121 nan 8.300 nan 0.000 0.474 175 G N -0.279 108.583 108.800 0.102 0.000 2.422 175 G HA2 -0.185 3.781 3.960 0.010 0.000 0.218 175 G HA3 -0.185 3.781 3.960 0.010 0.000 0.218 175 G C 1.808 176.552 174.900 -0.260 0.000 1.146 175 G CA 0.813 45.844 45.100 -0.116 0.000 0.769 175 G HN 0.648 nan 8.290 nan 0.000 0.547 176 A N 0.895 123.599 122.820 -0.194 0.000 1.898 176 A HA 0.018 4.344 4.320 0.010 0.000 0.216 176 A C 2.307 179.863 177.584 -0.046 0.000 1.181 176 A CA 1.908 53.835 52.037 -0.182 0.000 0.620 176 A CB -0.330 18.592 19.000 -0.131 0.000 0.819 176 A HN 0.372 nan 8.150 nan 0.000 0.442 177 K N -0.719 119.696 120.400 0.026 0.000 2.097 177 K HA -0.128 4.198 4.320 0.010 0.000 0.206 177 K C 2.271 178.910 176.600 0.065 0.000 1.049 177 K CA 1.276 57.687 56.287 0.206 0.000 0.933 177 K CB -0.139 32.545 32.500 0.306 0.000 0.717 177 K HN 0.374 nan 8.250 nan 0.000 0.442 178 Q N 0.262 119.917 119.800 -0.241 0.000 2.124 178 Q HA -0.093 4.253 4.340 0.010 0.000 0.202 178 Q C 2.192 178.035 176.000 -0.263 0.000 0.977 178 Q CA 1.503 57.072 55.803 -0.391 0.000 0.850 178 Q CB -0.279 28.116 28.738 -0.573 0.000 0.901 178 Q HN 0.331 nan 8.270 nan 0.000 0.429 179 A N 0.232 122.900 122.820 -0.254 0.000 1.902 179 A HA -0.191 4.135 4.320 0.010 0.000 0.217 179 A C 1.824 179.431 177.584 0.040 0.000 1.181 179 A CA 1.446 53.291 52.037 -0.318 0.000 0.623 179 A CB -0.957 17.512 19.000 -0.886 0.000 0.818 179 A HN 0.536 nan 8.150 nan 0.000 0.443 180 W N 0.907 122.211 121.300 0.006 0.000 2.378 180 W HA -0.116 4.549 4.660 0.008 0.000 0.313 180 W C 2.358 178.838 176.519 -0.066 0.000 1.197 180 W CA 1.516 58.896 57.345 0.059 0.000 1.304 180 W CB -0.778 28.710 29.460 0.047 0.000 1.148 180 W HN 0.371 nan 8.180 nan 0.000 0.494 181 R N 0.376 120.809 120.500 -0.111 0.000 2.117 181 R HA -0.211 4.135 4.340 0.010 0.000 0.243 181 R C 1.644 177.785 176.300 -0.265 0.000 1.143 181 R CA 1.947 57.765 56.100 -0.470 0.000 0.968 181 R CB -0.593 29.116 30.300 -0.984 0.000 0.863 181 R HN 0.117 nan 8.270 nan 0.000 0.444 182 N N 0.309 118.905 118.700 -0.174 0.000 2.463 182 N HA 0.006 4.752 4.740 0.010 0.000 0.181 182 N C -0.234 175.229 175.510 -0.078 0.000 1.078 182 N CA 0.723 53.695 53.050 -0.130 0.000 0.902 182 N CB 0.219 38.629 38.487 -0.128 0.000 0.970 182 N HN 0.185 nan 8.380 nan 0.000 0.451 183 A N 2.211 125.031 122.820 0.000 0.000 2.500 183 A HA 0.184 4.510 4.320 0.010 0.000 0.285 183 A C -1.218 176.340 177.584 -0.044 0.000 1.183 183 A CA -0.867 51.169 52.037 -0.002 0.000 0.851 183 A CB 0.194 19.236 19.000 0.069 0.000 1.091 183 A HN 0.028 nan 8.150 nan 0.000 0.521 184 P HA -0.140 nan 4.420 nan 0.000 0.219 184 P C 1.115 178.352 177.300 -0.105 0.000 1.146 184 P CA 1.223 64.254 63.100 -0.115 0.000 0.808 184 P CB 0.151 31.750 31.700 -0.169 0.000 0.779 185 R N -2.326 118.075 120.500 -0.165 0.000 2.300 185 R HA 0.148 4.494 4.340 0.010 0.000 0.199 185 R C 0.352 176.627 176.300 -0.041 0.000 0.920 185 R CA -0.128 55.886 56.100 -0.143 0.000 1.046 185 R CB -0.396 29.645 30.300 -0.432 0.000 0.984 185 R HN 0.175 nan 8.270 nan 0.000 0.493 186 C N 0.742 120.019 119.300 -0.040 0.000 2.325 186 C HA 0.201 4.667 4.460 0.010 0.000 0.347 186 C C 1.893 176.839 174.990 -0.075 0.000 1.263 186 C CA -0.595 58.426 59.018 0.005 0.000 1.806 186 C CB 0.593 28.404 27.740 0.119 0.000 2.405 186 C HN 0.274 nan 8.230 nan 0.000 0.537 187 V N 6.039 125.873 119.914 -0.134 0.000 3.541 187 V HA 0.211 4.337 4.120 0.010 0.000 0.267 187 V C 1.767 177.890 176.094 0.047 0.000 1.213 187 V CA 1.951 64.093 62.300 -0.263 0.000 1.149 187 V CB -0.098 31.576 31.823 -0.248 0.000 0.822 187 V HN 1.075 nan 8.190 nan 0.000 0.462 188 G N -0.595 108.257 108.800 0.087 0.000 3.314 188 G HA2 0.042 4.008 3.960 0.010 0.000 0.238 188 G HA3 0.042 4.008 3.960 0.010 0.000 0.238 188 G C 1.218 176.160 174.900 0.070 0.000 1.184 188 G CA -0.343 44.824 45.100 0.112 0.000 0.806 188 G HN 0.430 nan 8.290 nan 0.000 0.536 189 R N -0.195 120.260 120.500 -0.075 0.000 2.328 189 R HA 0.132 4.478 4.340 0.010 0.000 0.207 189 R C 1.939 177.832 176.300 -0.678 0.000 1.056 189 R CA 0.135 55.907 56.100 -0.547 0.000 1.016 189 R CB -0.130 29.814 30.300 -0.594 0.000 0.872 189 R HN 0.446 nan 8.270 nan 0.000 0.471 190 I N 0.869 121.220 120.570 -0.366 0.000 2.756 190 I HA -0.219 3.957 4.170 0.010 0.000 0.262 190 I C 1.182 177.217 176.117 -0.136 0.000 1.225 190 I CA 1.177 62.420 61.300 -0.095 0.000 1.472 190 I CB 0.186 38.221 38.000 0.059 0.000 1.094 190 I HN 0.200 nan 8.210 nan 0.000 0.454 191 Q N 0.492 120.144 119.800 -0.246 0.000 2.360 191 Q HA -0.086 4.260 4.340 0.010 0.000 0.202 191 Q C 1.616 177.210 176.000 -0.677 0.000 0.915 191 Q CA 0.267 55.912 55.803 -0.263 0.000 0.943 191 Q CB -0.183 28.567 28.738 0.020 0.000 1.064 191 Q HN 0.768 nan 8.270 nan 0.000 0.511 192 W N 0.442 121.060 121.300 -1.136 0.000 2.305 192 W HA -0.179 4.489 4.660 0.013 0.000 0.308 192 W C 1.250 177.474 176.519 -0.491 0.000 1.226 192 W CA 1.320 57.852 57.345 -1.356 0.000 1.253 192 W CB -1.398 27.462 29.460 -1.000 0.000 1.146 192 W HN 0.094 nan 8.180 nan 0.000 0.507 193 G N 1.306 109.305 108.800 -1.335 0.000 2.509 193 G HA2 -0.203 3.763 3.960 0.010 0.000 0.218 193 G HA3 -0.203 3.763 3.960 0.010 0.000 0.218 193 G C 1.515 176.159 174.900 -0.426 0.000 1.124 193 G CA 0.404 44.829 45.100 -1.126 0.000 0.776 193 G HN 0.329 nan 8.290 nan 0.000 0.547 194 K N -0.157 120.097 120.400 -0.244 0.000 2.493 194 K HA 0.244 4.570 4.320 0.010 0.000 0.207 194 K C -0.123 176.534 176.600 0.096 0.000 1.033 194 K CA -0.622 55.637 56.287 -0.047 0.000 1.161 194 K CB 0.462 32.962 32.500 -0.000 0.000 0.873 194 K HN 0.204 nan 8.250 nan 0.000 0.491 195 L N 1.991 123.322 121.223 0.180 0.000 2.453 195 L HA 0.010 4.356 4.340 0.010 0.000 0.272 195 L C -0.050 176.814 176.870 -0.010 0.000 1.182 195 L CA 0.304 55.268 54.840 0.206 0.000 0.858 195 L CB 0.614 42.882 42.059 0.348 0.000 1.120 195 L HN 0.023 nan 8.230 nan 0.000 0.474 196 Q N 3.832 123.551 119.800 -0.135 0.000 2.331 196 Q HA 0.395 4.741 4.340 0.010 0.000 0.257 196 Q C -1.479 174.147 176.000 -0.623 0.000 0.957 196 Q CA -0.271 55.283 55.803 -0.415 0.000 0.923 196 Q CB 1.084 29.483 28.738 -0.566 0.000 1.212 196 Q HN 0.510 nan 8.270 nan 0.000 0.443 197 V N 6.279 125.882 119.914 -0.518 0.000 2.348 197 V HA 0.356 4.482 4.120 0.010 0.000 0.270 197 V C -0.574 175.224 176.094 -0.493 0.000 1.037 197 V CA -0.503 61.544 62.300 -0.421 0.000 0.872 197 V CB -0.099 31.593 31.823 -0.219 0.000 1.002 197 V HN 0.618 nan 8.190 nan 0.000 0.464 198 F N 2.730 122.539 119.950 -0.236 0.000 2.411 198 F HA 0.355 4.885 4.527 0.005 0.000 0.355 198 F C 0.624 176.250 175.800 -0.291 0.000 1.117 198 F CA -0.970 56.882 58.000 -0.247 0.000 1.139 198 F CB 0.776 39.623 39.000 -0.256 0.000 1.120 198 F HN 0.405 nan 8.300 nan 0.000 0.493 199 D N 3.033 123.396 120.400 -0.061 0.000 2.316 199 D HA 0.418 5.064 4.640 0.010 0.000 0.245 199 D C -0.015 176.117 176.300 -0.281 0.000 1.171 199 D CA 0.081 53.978 54.000 -0.170 0.000 0.856 199 D CB 1.241 41.984 40.800 -0.095 0.000 1.090 199 D HN 0.627 nan 8.370 nan 0.000 0.476 200 A N 4.583 127.085 122.820 -0.531 0.000 2.676 200 A HA 0.163 4.489 4.320 0.010 0.000 0.297 200 A C 1.369 178.683 177.584 -0.450 0.000 1.132 200 A CA -0.405 51.098 52.037 -0.890 0.000 0.972 200 A CB 0.069 17.986 19.000 -1.804 0.000 1.197 200 A HN 0.547 nan 8.150 nan 0.000 0.524 201 R N 0.644 121.007 120.500 -0.229 0.000 2.339 201 R HA -0.052 4.294 4.340 0.010 0.000 0.199 201 R C 0.591 176.875 176.300 -0.027 0.000 1.018 201 R CA 1.105 57.147 56.100 -0.097 0.000 1.036 201 R CB 0.095 30.392 30.300 -0.006 0.000 0.899 201 R HN 0.670 nan 8.270 nan 0.000 0.473 202 D N -0.961 119.443 120.400 0.006 0.000 2.379 202 D HA -0.057 4.589 4.640 0.010 0.000 0.208 202 D C 0.399 176.792 176.300 0.154 0.000 1.065 202 D CA -0.320 53.733 54.000 0.088 0.000 0.848 202 D CB -0.539 40.329 40.800 0.113 0.000 0.949 202 D HN -0.028 nan 8.370 nan 0.000 0.509 203 C N 2.183 121.581 119.300 0.163 0.000 2.590 203 C HA 0.275 4.741 4.460 0.010 0.000 0.411 203 C C 1.713 176.882 174.990 0.298 0.000 1.420 203 C CA 0.777 59.971 59.018 0.293 0.000 1.643 203 C CB -0.786 27.161 27.740 0.345 0.000 2.528 203 C HN 0.465 nan 8.230 nan 0.000 0.606 204 S N 2.614 118.509 115.700 0.324 0.000 2.780 204 S HA 0.311 4.787 4.470 0.010 0.000 0.248 204 S C 0.000 174.756 174.600 0.260 0.000 1.036 204 S CA 0.243 58.643 58.200 0.333 0.000 1.061 204 S CB -0.148 63.178 63.200 0.211 0.000 1.037 204 S HN 1.267 nan 8.310 nan 0.000 0.584 205 S N -0.382 115.473 115.700 0.257 0.000 2.570 205 S HA 0.804 5.280 4.470 0.010 0.000 0.270 205 S C 0.798 175.479 174.600 0.135 0.000 1.149 205 S CA -0.299 57.992 58.200 0.151 0.000 0.837 205 S CB 1.032 64.303 63.200 0.118 0.000 1.124 205 S HN 0.485 nan 8.310 nan 0.000 0.465 206 A N 0.901 123.774 122.820 0.087 0.000 1.933 206 A HA -0.088 4.238 4.320 0.010 0.000 0.218 206 A C 2.108 179.689 177.584 -0.005 0.000 1.175 206 A CA 2.211 54.292 52.037 0.073 0.000 0.628 206 A CB -1.159 17.933 19.000 0.154 0.000 0.814 206 A HN 0.935 nan 8.150 nan 0.000 0.444 207 Q N 0.246 120.115 119.800 0.115 0.000 2.084 207 Q HA -0.182 4.164 4.340 0.010 0.000 0.202 207 Q C 1.875 177.860 176.000 -0.024 0.000 0.978 207 Q CA 2.283 58.115 55.803 0.048 0.000 0.844 207 Q CB -0.381 28.478 28.738 0.201 0.000 0.898 207 Q HN 0.748 nan 8.270 nan 0.000 0.426 208 E N -0.827 119.408 120.200 0.058 0.000 2.150 208 E HA -0.147 4.209 4.350 0.010 0.000 0.193 208 E C 1.849 178.551 176.600 0.170 0.000 0.985 208 E CA 0.997 57.453 56.400 0.093 0.000 0.814 208 E CB -0.072 29.729 29.700 0.168 0.000 0.752 208 E HN 0.475 nan 8.360 nan 0.000 0.466 209 M N -0.235 119.426 119.600 0.101 0.000 2.159 209 M HA -0.124 4.362 4.480 0.010 0.000 0.263 209 M C 2.075 178.410 176.300 0.059 0.000 1.063 209 M CA 1.330 56.647 55.300 0.027 0.000 1.110 209 M CB -0.287 32.126 32.600 -0.312 0.000 1.374 209 M HN 0.215 nan 8.290 nan 0.000 0.411 210 F N 0.871 120.610 119.950 -0.352 0.000 2.134 210 F HA -0.224 4.310 4.527 0.012 0.000 0.299 210 F C 2.254 177.936 175.800 -0.196 0.000 1.097 210 F CA 1.618 59.349 58.000 -0.448 0.000 1.264 210 F CB -0.108 38.264 39.000 -1.046 0.000 1.001 210 F HN 0.034 nan 8.300 nan 0.000 0.479 211 T N -0.369 114.052 114.554 -0.222 0.000 2.674 211 T HA -0.249 4.107 4.350 0.010 0.000 0.265 211 T C 1.594 176.149 174.700 -0.242 0.000 1.039 211 T CA 1.923 63.846 62.100 -0.295 0.000 1.150 211 T CB -0.849 67.881 68.868 -0.229 0.000 0.864 211 T HN 0.360 nan 8.240 nan 0.000 0.427 212 Y N 0.882 121.142 120.300 -0.067 0.000 2.165 212 Y HA -0.114 4.441 4.550 0.008 0.000 0.286 212 Y C 2.328 178.194 175.900 -0.057 0.000 1.155 212 Y CA 0.914 58.993 58.100 -0.036 0.000 1.164 212 Y CB -0.355 38.196 38.460 0.152 0.000 0.978 212 Y HN 0.165 nan 8.280 nan 0.000 0.513 213 I N -1.555 119.106 120.570 0.152 0.000 2.252 213 I HA -0.349 3.827 4.170 0.010 0.000 0.245 213 I C 2.293 178.344 176.117 -0.111 0.000 1.102 213 I CA 0.862 62.182 61.300 0.034 0.000 1.385 213 I CB -0.450 37.562 38.000 0.021 0.000 1.064 213 I HN 0.325 nan 8.210 nan 0.000 0.414 214 C N 0.680 119.799 119.300 -0.302 0.000 2.425 214 C HA -0.116 4.350 4.460 0.010 0.000 0.277 214 C C 2.608 177.497 174.990 -0.168 0.000 1.280 214 C CA 0.759 59.583 59.018 -0.322 0.000 1.744 214 C CB -1.371 26.040 27.740 -0.548 0.000 1.989 214 C HN 0.543 nan 8.230 nan 0.000 0.491 215 N N -0.107 118.492 118.700 -0.168 0.000 2.188 215 N HA -0.125 4.621 4.740 0.010 0.000 0.184 215 N C 1.450 176.890 175.510 -0.116 0.000 1.018 215 N CA 1.320 54.272 53.050 -0.164 0.000 0.858 215 N CB -0.748 37.587 38.487 -0.254 0.000 0.989 215 N HN 0.755 nan 8.380 nan 0.000 0.426 216 H N 0.705 119.653 119.070 -0.203 0.000 2.293 216 H HA 0.049 4.612 4.556 0.012 0.000 0.300 216 H C 2.152 177.508 175.328 0.045 0.000 1.082 216 H CA 1.546 57.537 56.048 -0.096 0.000 1.308 216 H CB -0.061 29.687 29.762 -0.023 0.000 1.375 216 H HN 0.064 nan 8.280 nan 0.000 0.495 217 I N 0.767 121.479 120.570 0.236 0.000 2.208 217 I HA -0.292 3.884 4.170 0.010 0.000 0.245 217 I C 2.394 178.589 176.117 0.130 0.000 1.097 217 I CA 1.484 62.878 61.300 0.157 0.000 1.363 217 I CB -0.267 37.743 38.000 0.018 0.000 1.051 217 I HN 0.355 nan 8.210 nan 0.000 0.413 218 K N -0.158 120.288 120.400 0.076 0.000 2.025 218 K HA -0.223 4.103 4.320 0.010 0.000 0.207 218 K C 2.235 178.892 176.600 0.094 0.000 1.049 218 K CA 1.634 57.954 56.287 0.055 0.000 0.933 218 K CB -0.377 32.129 32.500 0.010 0.000 0.714 218 K HN 0.258 nan 8.250 nan 0.000 0.438 219 Y N 1.440 121.750 120.300 0.017 0.000 2.163 219 Y HA -0.188 4.365 4.550 0.004 0.000 0.288 219 Y C 2.209 178.175 175.900 0.109 0.000 1.136 219 Y CA 1.384 59.523 58.100 0.065 0.000 1.147 219 Y CB -0.333 38.185 38.460 0.097 0.000 0.987 219 Y HN 0.032 nan 8.280 nan 0.000 0.509 220 A N -0.780 122.252 122.820 0.353 0.000 1.898 220 A HA -0.151 4.175 4.320 0.010 0.000 0.216 220 A C 2.206 179.886 177.584 0.160 0.000 1.181 220 A CA 2.207 54.413 52.037 0.282 0.000 0.620 220 A CB -1.271 17.940 19.000 0.351 0.000 0.819 220 A HN 0.504 nan 8.150 nan 0.000 0.442 221 T N -0.204 114.431 114.554 0.134 0.000 2.777 221 T HA -0.100 4.256 4.350 0.010 0.000 0.266 221 T C 1.088 175.810 174.700 0.037 0.000 1.040 221 T CA 1.200 63.360 62.100 0.099 0.000 1.141 221 T CB -0.424 68.494 68.868 0.085 0.000 0.868 221 T HN 0.646 nan 8.240 nan 0.000 0.444 222 N N 1.155 119.847 118.700 -0.014 0.000 2.707 222 N HA -0.256 4.490 4.740 0.010 0.000 0.253 222 N C -0.183 175.304 175.510 -0.037 0.000 0.998 222 N CA 0.553 53.563 53.050 -0.067 0.000 0.751 222 N CB -1.307 37.098 38.487 -0.136 0.000 0.920 222 N HN 0.481 nan 8.380 nan 0.000 0.539 223 R N -2.134 118.356 120.500 -0.017 0.000 3.627 223 R HA -0.219 4.127 4.340 0.010 0.000 0.281 223 R C 1.313 177.603 176.300 -0.017 0.000 1.140 223 R CA 1.272 57.362 56.100 -0.016 0.000 0.761 223 R CB -1.826 28.460 30.300 -0.025 0.000 1.181 223 R HN 0.957 nan 8.270 nan 0.000 0.472 224 G N -0.603 108.197 108.800 -0.001 0.000 2.278 224 G HA2 -0.308 3.658 3.960 0.010 0.000 0.210 224 G HA3 -0.308 3.658 3.960 0.010 0.000 0.210 224 G C -0.077 174.820 174.900 -0.004 0.000 1.000 224 G CA -0.004 45.096 45.100 -0.001 0.000 0.635 224 G HN 0.361 nan 8.290 nan 0.000 0.495 225 N N 1.395 120.081 118.700 -0.024 0.000 3.229 225 N HA 0.495 5.241 4.740 0.010 0.000 0.275 225 N C 0.376 175.872 175.510 -0.024 0.000 1.225 225 N CA -0.492 52.528 53.050 -0.051 0.000 1.119 225 N CB -0.252 38.197 38.487 -0.064 0.000 1.392 225 N HN 0.221 nan 8.380 nan 0.000 0.520 226 L N 1.736 122.979 121.223 0.034 0.000 2.543 226 L HA 0.070 4.416 4.340 0.010 0.000 0.285 226 L C 0.827 177.839 176.870 0.236 0.000 1.236 226 L CA 1.026 55.964 54.840 0.162 0.000 0.871 226 L CB 0.191 42.439 42.059 0.315 0.000 1.121 226 L HN 0.337 nan 8.230 nan 0.000 0.501 227 R N 1.482 122.135 120.500 0.254 0.000 2.513 227 R HA 0.437 4.783 4.340 0.010 0.000 0.301 227 R C -0.611 175.878 176.300 0.315 0.000 0.968 227 R CA -0.697 55.580 56.100 0.294 0.000 0.872 227 R CB 1.647 32.026 30.300 0.132 0.000 1.177 227 R HN 0.574 nan 8.270 nan 0.000 0.444 228 S N 1.474 117.349 115.700 0.291 0.000 2.549 228 S HA 0.427 4.903 4.470 0.010 0.000 0.286 228 S C -0.155 174.480 174.600 0.059 0.000 1.314 228 S CA -0.098 58.157 58.200 0.091 0.000 1.062 228 S CB 1.095 64.320 63.200 0.041 0.000 0.865 228 S HN 0.716 nan 8.310 nan 0.000 0.498 229 A N 2.412 125.213 122.820 -0.033 0.000 2.601 229 A HA 0.816 5.142 4.320 0.010 0.000 0.291 229 A C -1.346 176.199 177.584 -0.064 0.000 1.075 229 A CA -0.676 51.266 52.037 -0.158 0.000 0.671 229 A CB 1.139 19.996 19.000 -0.238 0.000 1.277 229 A HN 0.804 nan 8.150 nan 0.000 0.417 230 I N 0.181 120.702 120.570 -0.082 0.000 2.752 230 I HA 0.655 4.831 4.170 0.010 0.000 0.295 230 I C -1.282 174.898 176.117 0.106 0.000 1.219 230 I CA -0.125 61.262 61.300 0.145 0.000 1.030 230 I CB 2.432 40.491 38.000 0.098 0.000 1.259 230 I HN 0.597 nan 8.210 nan 0.000 0.423 231 T N 6.255 120.912 114.554 0.172 0.000 2.791 231 T HA 0.437 4.793 4.350 0.010 0.000 0.288 231 T C -0.770 173.715 174.700 -0.358 0.000 0.999 231 T CA -0.343 61.711 62.100 -0.076 0.000 0.952 231 T CB 1.440 70.261 68.868 -0.077 0.000 0.938 231 T HN 0.265 nan 8.240 nan 0.000 0.444 232 V N 5.264 124.911 119.914 -0.446 0.000 2.333 232 V HA 0.461 4.587 4.120 0.010 0.000 0.274 232 V C -0.310 175.462 176.094 -0.537 0.000 1.028 232 V CA -0.738 61.303 62.300 -0.432 0.000 0.851 232 V CB -0.100 31.440 31.823 -0.472 0.000 1.000 232 V HN 0.702 nan 8.190 nan 0.000 0.456 233 F N 5.355 125.206 119.950 -0.164 0.000 2.362 233 F HA 0.498 5.032 4.527 0.012 0.000 0.311 233 F C -1.758 173.904 175.800 -0.229 0.000 1.161 233 F CA -2.416 55.400 58.000 -0.307 0.000 1.085 233 F CB 0.151 38.955 39.000 -0.326 0.000 1.311 233 F HN 0.294 nan 8.300 nan 0.000 0.524 234 P HA -0.020 nan 4.420 nan 0.000 0.265 234 P C -0.997 176.299 177.300 -0.006 0.000 1.187 234 P CA -0.051 62.942 63.100 -0.179 0.000 0.766 234 P CB 0.218 31.689 31.700 -0.382 0.000 0.820 235 Q N 3.009 122.765 119.800 -0.074 0.000 2.471 235 Q HA 0.240 4.586 4.340 0.010 0.000 0.223 235 Q C -0.308 175.591 176.000 -0.169 0.000 1.045 235 Q CA -0.533 55.021 55.803 -0.415 0.000 0.956 235 Q CB 0.575 28.773 28.738 -0.901 0.000 1.249 235 Q HN 0.311 nan 8.270 nan 0.000 0.549 236 R N -0.077 120.298 120.500 -0.208 0.000 2.590 236 R HA 0.443 4.789 4.340 0.010 0.000 0.274 236 R C -0.675 175.568 176.300 -0.095 0.000 1.061 236 R CA 0.272 56.321 56.100 -0.085 0.000 1.081 236 R CB 0.740 30.985 30.300 -0.092 0.000 0.984 236 R HN 0.688 nan 8.270 nan 0.000 0.448 237 A N 4.225 127.030 122.820 -0.026 0.000 2.413 237 A HA 0.565 4.891 4.320 0.010 0.000 0.307 237 A C -2.456 175.122 177.584 -0.010 0.000 1.087 237 A CA -2.083 49.943 52.037 -0.019 0.000 0.750 237 A CB 1.192 20.207 19.000 0.026 0.000 1.296 237 A HN 0.435 nan 8.150 nan 0.000 0.423 238 P HA 0.215 nan 4.420 nan 0.000 0.261 238 P C 1.207 178.510 177.300 0.005 0.000 1.183 238 P CA 2.139 65.237 63.100 -0.002 0.000 0.761 238 P CB 0.564 32.267 31.700 0.004 0.000 0.785 239 G N 2.534 111.335 108.800 0.002 0.000 2.413 239 G HA2 -0.338 3.628 3.960 0.010 0.000 0.259 239 G HA3 -0.338 3.628 3.960 0.010 0.000 0.259 239 G C 0.634 175.536 174.900 0.005 0.000 1.003 239 G CA 0.117 45.219 45.100 0.004 0.000 0.629 239 G HN 0.700 nan 8.290 nan 0.000 0.548 240 R N 2.052 122.557 120.500 0.007 0.000 2.390 240 R HA 0.484 4.830 4.340 0.010 0.000 0.291 240 R C 1.102 177.401 176.300 -0.002 0.000 1.070 240 R CA 0.326 56.429 56.100 0.005 0.000 1.014 240 R CB 0.228 30.539 30.300 0.018 0.000 1.007 240 R HN 0.376 nan 8.270 nan 0.000 0.466 241 G N 2.711 111.500 108.800 -0.019 0.000 2.630 241 G HA2 -0.043 3.923 3.960 0.010 0.000 0.236 241 G HA3 -0.043 3.923 3.960 0.010 0.000 0.236 241 G C -0.508 174.375 174.900 -0.029 0.000 1.248 241 G CA -0.351 44.734 45.100 -0.025 0.000 0.844 241 G HN 0.635 nan 8.290 nan 0.000 0.588 242 D N -0.559 119.841 120.400 -0.001 0.000 2.294 242 D HA 0.361 5.007 4.640 0.010 0.000 0.250 242 D C -0.250 176.075 176.300 0.041 0.000 1.058 242 D CA -0.041 53.994 54.000 0.058 0.000 0.950 242 D CB 1.040 41.883 40.800 0.071 0.000 1.158 242 D HN 0.116 nan 8.370 nan 0.000 0.453 243 F N 1.205 121.181 119.950 0.043 0.000 2.410 243 F HA 0.339 4.872 4.527 0.011 0.000 0.348 243 F C 0.990 176.820 175.800 0.051 0.000 1.106 243 F CA -0.006 58.008 58.000 0.025 0.000 1.163 243 F CB 0.702 39.711 39.000 0.015 0.000 1.129 243 F HN -0.199 nan 8.300 nan 0.000 0.516 244 R N 3.684 124.312 120.500 0.213 0.000 2.698 244 R HA 0.534 4.880 4.340 0.010 0.000 0.275 244 R C -1.318 175.133 176.300 0.253 0.000 1.001 244 R CA -0.862 55.378 56.100 0.233 0.000 0.896 244 R CB 2.288 32.748 30.300 0.268 0.000 1.218 244 R HN 0.622 nan 8.270 nan 0.000 0.462 245 I N 1.889 122.602 120.570 0.238 0.000 2.355 245 I HA 0.175 4.351 4.170 0.010 0.000 0.288 245 I C 0.440 176.769 176.117 0.354 0.000 0.999 245 I CA -0.466 60.970 61.300 0.227 0.000 1.163 245 I CB 1.341 39.417 38.000 0.128 0.000 1.316 245 I HN 0.524 nan 8.210 nan 0.000 0.454 246 W N 3.467 124.812 121.300 0.074 0.000 2.388 246 W HA -0.074 4.592 4.660 0.010 0.000 0.294 246 W C 0.976 177.603 176.519 0.180 0.000 1.212 246 W CA 0.099 57.550 57.345 0.177 0.000 1.271 246 W CB -0.832 28.735 29.460 0.178 0.000 1.126 246 W HN 0.408 nan 8.180 nan 0.000 0.535 247 N N 0.122 118.992 118.700 0.283 0.000 2.441 247 N HA 0.003 4.749 4.740 0.010 0.000 0.251 247 N C 1.297 176.873 175.510 0.110 0.000 1.242 247 N CA 0.901 54.039 53.050 0.146 0.000 0.898 247 N CB 0.636 39.147 38.487 0.039 0.000 1.100 247 N HN -0.087 nan 8.380 nan 0.000 0.443 248 S N 0.446 116.200 115.700 0.091 0.000 2.461 248 S HA -0.013 4.463 4.470 0.010 0.000 0.228 248 S C 0.314 174.912 174.600 -0.004 0.000 1.005 248 S CA 0.582 58.821 58.200 0.065 0.000 0.942 248 S CB 0.069 63.329 63.200 0.099 0.000 0.776 248 S HN 0.646 nan 8.310 nan 0.000 0.514 249 Q N -0.779 119.002 119.800 -0.032 0.000 2.456 249 Q HA 0.487 4.833 4.340 0.010 0.000 0.284 249 Q C 0.068 175.983 176.000 -0.140 0.000 1.061 249 Q CA -0.567 55.175 55.803 -0.102 0.000 0.799 249 Q CB 1.905 30.607 28.738 -0.060 0.000 1.445 249 Q HN 0.111 nan 8.270 nan 0.000 0.411 250 L N 0.095 121.207 121.223 -0.185 0.000 2.201 250 L HA 0.032 4.378 4.340 0.010 0.000 0.212 250 L C 0.357 177.081 176.870 -0.244 0.000 1.105 250 L CA 0.820 55.552 54.840 -0.180 0.000 0.775 250 L CB 0.167 42.108 42.059 -0.196 0.000 0.913 250 L HN 0.244 nan 8.230 nan 0.000 0.440 251 V N 0.923 120.606 119.914 -0.385 0.000 2.444 251 V HA 0.517 4.643 4.120 0.010 0.000 0.294 251 V C -0.417 175.153 176.094 -0.872 0.000 1.022 251 V CA -0.705 61.193 62.300 -0.671 0.000 0.850 251 V CB 1.677 32.947 31.823 -0.922 0.000 0.992 251 V HN 0.149 nan 8.190 nan 0.000 0.426 252 R N 2.775 122.889 120.500 -0.643 0.000 2.643 252 R HA 0.495 4.841 4.340 0.010 0.000 0.269 252 R C -1.766 174.337 176.300 -0.327 0.000 1.037 252 R CA -0.812 55.042 56.100 -0.408 0.000 0.894 252 R CB 2.027 32.240 30.300 -0.144 0.000 1.238 252 R HN 0.557 nan 8.270 nan 0.000 0.459 253 Y N 0.352 120.653 120.300 0.002 0.000 2.310 253 Y HA 0.503 5.060 4.550 0.010 0.000 0.326 253 Y C 1.049 176.918 175.900 -0.051 0.000 1.151 253 Y CA -0.579 57.528 58.100 0.012 0.000 1.195 253 Y CB 1.127 39.652 38.460 0.108 0.000 1.210 253 Y HN 0.704 nan 8.280 nan 0.000 0.483 254 A N 1.624 124.479 122.820 0.057 0.000 2.448 254 A HA 0.543 4.869 4.320 0.010 0.000 0.239 254 A C 0.581 177.937 177.584 -0.379 0.000 1.080 254 A CA 0.298 52.211 52.037 -0.206 0.000 0.779 254 A CB -0.259 18.565 19.000 -0.294 0.000 1.026 254 A HN 0.951 nan 8.150 nan 0.000 0.499 255 G N 0.347 108.902 108.800 -0.410 0.000 2.728 255 G HA2 0.537 4.503 3.960 0.010 0.000 0.296 255 G HA3 0.537 4.503 3.960 0.010 0.000 0.296 255 G C -1.035 173.695 174.900 -0.283 0.000 1.401 255 G CA -0.273 44.637 45.100 -0.317 0.000 1.007 255 G HN 0.559 nan 8.290 nan 0.000 0.527 256 Y N 1.802 122.113 120.300 0.018 0.000 2.367 256 Y HA 0.444 5.000 4.550 0.010 0.000 0.342 256 Y C 0.945 176.842 175.900 -0.005 0.000 0.979 256 Y CA -1.144 56.966 58.100 0.017 0.000 1.161 256 Y CB 1.349 39.815 38.460 0.011 0.000 1.155 256 Y HN 0.415 nan 8.280 nan 0.000 0.503 257 R N 3.105 123.692 120.500 0.145 0.000 2.489 257 R HA 0.083 4.429 4.340 0.010 0.000 0.287 257 R C -0.357 175.983 176.300 0.067 0.000 1.053 257 R CA 0.041 56.186 56.100 0.076 0.000 1.036 257 R CB 0.263 30.596 30.300 0.055 0.000 0.966 257 R HN 0.565 nan 8.270 nan 0.000 0.432 258 Q N 2.547 122.372 119.800 0.042 0.000 2.180 258 Q HA 0.126 4.472 4.340 0.010 0.000 0.241 258 Q C 0.696 176.703 176.000 0.012 0.000 0.970 258 Q CA -0.524 55.294 55.803 0.025 0.000 0.919 258 Q CB 0.877 29.627 28.738 0.019 0.000 1.222 258 Q HN 0.592 nan 8.270 nan 0.000 0.482 259 Q N 0.507 120.309 119.800 0.003 0.000 2.084 259 Q HA -0.198 4.148 4.340 0.010 0.000 0.202 259 Q C 0.887 176.888 176.000 0.001 0.000 0.978 259 Q CA 1.969 57.771 55.803 -0.001 0.000 0.844 259 Q CB -0.060 28.673 28.738 -0.008 0.000 0.898 259 Q HN 0.677 nan 8.270 nan 0.000 0.426 260 D N -1.603 118.797 120.400 0.001 0.000 2.363 260 D HA 0.075 4.721 4.640 0.010 0.000 0.226 260 D C 0.981 177.284 176.300 0.005 0.000 1.020 260 D CA 0.731 54.732 54.000 0.002 0.000 0.892 260 D CB 0.039 40.839 40.800 0.001 0.000 0.900 260 D HN 0.289 nan 8.370 nan 0.000 0.531 261 G N -0.287 108.518 108.800 0.007 0.000 2.195 261 G HA2 -0.310 3.656 3.960 0.010 0.000 0.246 261 G HA3 -0.310 3.656 3.960 0.010 0.000 0.246 261 G C 0.603 175.509 174.900 0.010 0.000 0.984 261 G CA 0.404 45.510 45.100 0.009 0.000 0.633 261 G HN 0.806 nan 8.290 nan 0.000 0.525 262 S N -1.005 114.699 115.700 0.008 0.000 2.640 262 S HA 0.761 5.237 4.470 0.010 0.000 0.262 262 S C 0.075 174.678 174.600 0.005 0.000 1.232 262 S CA 0.042 58.244 58.200 0.004 0.000 0.988 262 S CB 2.178 65.379 63.200 0.002 0.000 1.034 262 S HN 1.145 nan 8.310 nan 0.000 0.569 263 V N 0.788 120.695 119.914 -0.012 0.000 2.638 263 V HA 0.551 4.677 4.120 0.010 0.000 0.306 263 V C -0.157 175.909 176.094 -0.046 0.000 1.052 263 V CA -0.803 61.484 62.300 -0.022 0.000 0.885 263 V CB 1.615 33.407 31.823 -0.051 0.000 0.999 263 V HN 0.929 nan 8.190 nan 0.000 0.424 264 R N 2.655 123.153 120.500 -0.002 0.000 2.294 264 R HA 0.700 5.046 4.340 0.010 0.000 0.319 264 R C 0.543 176.786 176.300 -0.096 0.000 0.984 264 R CA 0.875 56.971 56.100 -0.007 0.000 0.861 264 R CB 1.183 31.550 30.300 0.112 0.000 1.104 264 R HN 1.220 nan 8.270 nan 0.000 0.451 265 G N 2.938 111.590 108.800 -0.247 0.000 2.464 265 G HA2 -0.240 3.726 3.960 0.010 0.000 0.216 265 G HA3 -0.240 3.726 3.960 0.010 0.000 0.216 265 G C -1.363 173.140 174.900 -0.663 0.000 1.186 265 G CA -0.107 44.770 45.100 -0.373 0.000 1.010 265 G HN 0.627 nan 8.290 nan 0.000 0.585 266 D N 1.548 121.706 120.400 -0.403 0.000 2.359 266 D HA 0.583 5.229 4.640 0.010 0.000 0.230 266 D C -1.095 175.106 176.300 -0.166 0.000 1.118 266 D CA -2.007 51.791 54.000 -0.338 0.000 0.844 266 D CB 1.572 42.492 40.800 0.200 0.000 1.059 266 D HN -0.019 nan 8.370 nan 0.000 0.493 267 P HA -0.094 nan 4.420 nan 0.000 0.219 267 P C 0.875 178.184 177.300 0.015 0.000 1.146 267 P CA 0.930 63.993 63.100 -0.063 0.000 0.808 267 P CB 0.276 31.949 31.700 -0.044 0.000 0.779 268 A N -0.599 122.255 122.820 0.056 0.000 2.121 268 A HA -0.105 4.221 4.320 0.010 0.000 0.218 268 A C 1.462 179.101 177.584 0.092 0.000 1.154 268 A CA 1.252 53.353 52.037 0.107 0.000 0.679 268 A CB -0.796 18.298 19.000 0.157 0.000 0.795 268 A HN 0.158 nan 8.150 nan 0.000 0.458 269 N N -0.382 118.353 118.700 0.059 0.000 2.328 269 N HA 0.165 4.911 4.740 0.010 0.000 0.247 269 N C 0.923 176.430 175.510 -0.005 0.000 1.165 269 N CA 0.072 53.143 53.050 0.036 0.000 0.873 269 N CB 0.784 39.291 38.487 0.034 0.000 1.125 269 N HN 0.173 nan 8.380 nan 0.000 0.513 270 V N 0.788 120.702 119.914 -0.000 0.000 2.343 270 V HA -0.217 3.909 4.120 0.010 0.000 0.247 270 V C 2.433 178.522 176.094 -0.008 0.000 1.051 270 V CA 1.784 64.081 62.300 -0.006 0.000 1.036 270 V CB -0.201 31.627 31.823 0.007 0.000 0.654 270 V HN 0.380 nan 8.190 nan 0.000 0.451 271 E N -0.177 120.015 120.200 -0.014 0.000 2.047 271 E HA -0.245 4.111 4.350 0.010 0.000 0.191 271 E C 2.123 178.628 176.600 -0.159 0.000 0.987 271 E CA 1.588 57.942 56.400 -0.076 0.000 0.799 271 E CB -0.175 29.499 29.700 -0.043 0.000 0.752 271 E HN 0.476 nan 8.360 nan 0.000 0.449 272 I N 0.781 121.283 120.570 -0.114 0.000 2.394 272 I HA -0.199 3.977 4.170 0.010 0.000 0.251 272 I C 1.977 178.055 176.117 -0.065 0.000 1.136 272 I CA 1.537 62.766 61.300 -0.120 0.000 1.425 272 I CB -0.364 37.620 38.000 -0.027 0.000 1.079 272 I HN 0.103 nan 8.210 nan 0.000 0.425 273 T N 0.397 114.936 114.554 -0.026 0.000 2.777 273 T HA -0.150 4.206 4.350 0.010 0.000 0.266 273 T C 1.708 176.495 174.700 0.144 0.000 1.040 273 T CA 1.699 63.834 62.100 0.058 0.000 1.141 273 T CB -0.274 68.627 68.868 0.055 0.000 0.868 273 T HN 0.483 nan 8.240 nan 0.000 0.444 274 E N 0.822 121.064 120.200 0.071 0.000 2.150 274 E HA -0.001 4.355 4.350 0.010 0.000 0.193 274 E C 2.185 178.820 176.600 0.058 0.000 0.985 274 E CA 0.664 57.106 56.400 0.070 0.000 0.814 274 E CB -0.258 29.453 29.700 0.017 0.000 0.752 274 E HN 0.418 nan 8.360 nan 0.000 0.466 275 L N 0.335 121.562 121.223 0.007 0.000 2.093 275 L HA -0.180 4.166 4.340 0.010 0.000 0.208 275 L C 2.541 179.530 176.870 0.199 0.000 1.085 275 L CA 0.649 55.534 54.840 0.074 0.000 0.755 275 L CB -0.319 41.714 42.059 -0.044 0.000 0.904 275 L HN 0.290 nan 8.230 nan 0.000 0.435 276 C N -0.080 119.295 119.300 0.126 0.000 2.425 276 C HA -0.137 4.329 4.460 0.010 0.000 0.277 276 C C 2.715 177.890 174.990 0.308 0.000 1.280 276 C CA 0.472 59.578 59.018 0.146 0.000 1.744 276 C CB -0.609 27.125 27.740 -0.011 0.000 1.989 276 C HN 0.418 nan 8.230 nan 0.000 0.491 277 I N 0.407 121.167 120.570 0.316 0.000 2.202 277 I HA -0.247 3.929 4.170 0.010 0.000 0.242 277 I C 2.566 178.746 176.117 0.105 0.000 1.091 277 I CA 1.518 62.957 61.300 0.232 0.000 1.368 277 I CB -0.699 37.405 38.000 0.173 0.000 1.058 277 I HN 0.418 nan 8.210 nan 0.000 0.410 278 Q N -0.114 119.720 119.800 0.058 0.000 2.368 278 Q HA -0.177 4.169 4.340 0.010 0.000 0.210 278 Q C 1.039 176.911 176.000 -0.213 0.000 0.982 278 Q CA 0.894 56.653 55.803 -0.074 0.000 0.884 278 Q CB -0.085 28.592 28.738 -0.103 0.000 0.933 278 Q HN 0.612 nan 8.270 nan 0.000 0.460 279 H N -1.676 117.394 119.070 0.000 0.000 2.487 279 H HA 0.212 4.774 4.556 0.010 0.000 0.290 279 H C 0.907 176.219 175.328 -0.028 0.000 1.081 279 H CA 0.644 56.666 56.048 -0.043 0.000 1.116 279 H CB 1.145 30.844 29.762 -0.105 0.000 1.560 279 H HN 0.420 nan 8.280 nan 0.000 0.548 280 G N 0.848 109.689 108.800 0.068 0.000 2.176 280 G HA2 -0.244 3.722 3.960 0.010 0.000 0.232 280 G HA3 -0.244 3.722 3.960 0.010 0.000 0.232 280 G C -0.098 174.871 174.900 0.115 0.000 0.986 280 G CA -0.039 45.091 45.100 0.049 0.000 0.643 280 G HN 0.381 nan 8.290 nan 0.000 0.522 281 W N 2.740 124.024 121.300 -0.025 0.000 2.304 281 W HA 0.644 5.310 4.660 0.010 0.000 0.313 281 W C 0.252 176.767 176.519 -0.008 0.000 1.323 281 W CA 0.106 57.440 57.345 -0.019 0.000 1.223 281 W CB 0.780 30.240 29.460 0.000 0.000 1.237 281 W HN 0.030 nan 8.180 nan 0.000 0.535 282 T N 9.970 124.204 114.554 -0.534 0.000 2.739 282 T HA 0.164 4.520 4.350 0.010 0.000 0.298 282 T C -1.989 171.996 174.700 -1.192 0.000 0.929 282 T CA -0.849 60.889 62.100 -0.602 0.000 1.014 282 T CB 0.269 68.927 68.868 -0.351 0.000 0.914 282 T HN 0.256 nan 8.240 nan 0.000 0.509 283 P HA 0.238 nan 4.420 nan 0.000 0.270 283 P C 0.392 177.266 177.300 -0.709 0.000 1.223 283 P CA -0.206 62.181 63.100 -1.188 0.000 0.785 283 P CB 0.849 32.226 31.700 -0.538 0.000 0.923 284 G N 0.722 109.245 108.800 -0.461 0.000 2.702 284 G HA2 0.339 4.305 3.960 0.010 0.000 0.254 284 G HA3 0.339 4.305 3.960 0.010 0.000 0.254 284 G C 0.103 174.699 174.900 -0.505 0.000 1.380 284 G CA -0.703 44.251 45.100 -0.243 0.000 1.042 284 G HN 0.759 nan 8.290 nan 0.000 0.557 285 N N -1.501 117.046 118.700 -0.256 0.000 2.301 285 N HA 0.240 4.986 4.740 0.010 0.000 0.247 285 N C 0.544 176.073 175.510 0.031 0.000 1.347 285 N CA -0.422 52.439 53.050 -0.316 0.000 0.844 285 N CB 0.927 39.270 38.487 -0.241 0.000 1.332 285 N HN 0.636 nan 8.380 nan 0.000 0.494 286 G N 0.559 109.488 108.800 0.215 0.000 2.557 286 G HA2 0.188 4.154 3.960 0.010 0.000 0.292 286 G HA3 0.188 4.154 3.960 0.010 0.000 0.292 286 G C 0.239 175.249 174.900 0.184 0.000 1.237 286 G CA -0.660 44.558 45.100 0.196 0.000 0.978 286 G HN 0.170 nan 8.290 nan 0.000 0.498 287 R N -1.297 119.213 120.500 0.018 0.000 2.280 287 R HA 0.202 4.548 4.340 0.010 0.000 0.195 287 R C -0.101 175.753 176.300 -0.743 0.000 0.935 287 R CA 0.318 56.239 56.100 -0.298 0.000 1.033 287 R CB 0.042 30.138 30.300 -0.340 0.000 0.964 287 R HN 0.406 nan 8.270 nan 0.000 0.489 288 F N 0.716 120.620 119.950 -0.077 0.000 2.576 288 F HA 0.278 4.811 4.527 0.010 0.000 0.365 288 F C -0.978 174.799 175.800 -0.039 0.000 1.506 288 F CA -1.078 56.646 58.000 -0.460 0.000 1.113 288 F CB 0.804 39.354 39.000 -0.750 0.000 1.293 288 F HN -0.253 nan 8.300 nan 0.000 0.540 289 D N 1.696 122.267 120.400 0.284 0.000 2.295 289 D HA 0.196 4.842 4.640 0.010 0.000 0.248 289 D C 0.236 176.786 176.300 0.417 0.000 1.154 289 D CA 0.105 54.336 54.000 0.385 0.000 0.857 289 D CB 2.315 43.401 40.800 0.475 0.000 1.117 289 D HN -0.060 nan 8.370 nan 0.000 0.468 290 V N 3.693 123.814 119.914 0.345 0.000 2.529 290 V HA 0.010 4.136 4.120 0.010 0.000 0.292 290 V C 0.986 177.071 176.094 -0.015 0.000 1.028 290 V CA -0.265 62.109 62.300 0.125 0.000 1.074 290 V CB 0.296 32.151 31.823 0.053 0.000 0.958 290 V HN 0.332 nan 8.190 nan 0.000 0.481 291 L N 8.064 129.180 121.223 -0.179 0.000 2.453 291 L HA 0.379 4.725 4.340 0.010 0.000 0.261 291 L C -1.691 174.926 176.870 -0.422 0.000 1.179 291 L CA -1.350 53.234 54.840 -0.426 0.000 0.813 291 L CB 0.903 42.743 42.059 -0.365 0.000 1.110 291 L HN 0.496 nan 8.230 nan 0.000 0.466 292 P HA 0.292 nan 4.420 nan 0.000 0.280 292 P C -1.260 175.879 177.300 -0.269 0.000 1.272 292 P CA -0.561 62.286 63.100 -0.420 0.000 0.819 292 P CB 1.129 32.460 31.700 -0.614 0.000 1.122 293 L N 0.674 121.826 121.223 -0.119 0.000 2.309 293 L HA 0.436 4.782 4.340 0.010 0.000 0.282 293 L C 0.366 177.205 176.870 -0.052 0.000 1.036 293 L CA -0.824 53.993 54.840 -0.039 0.000 0.806 293 L CB 0.876 42.981 42.059 0.077 0.000 1.220 293 L HN 0.198 nan 8.230 nan 0.000 0.429 294 L N 5.024 126.201 121.223 -0.077 0.000 2.283 294 L HA 0.458 4.804 4.340 0.010 0.000 0.281 294 L C -0.665 176.096 176.870 -0.182 0.000 1.033 294 L CA -0.247 54.452 54.840 -0.235 0.000 0.848 294 L CB 0.903 42.744 42.059 -0.363 0.000 1.226 294 L HN 0.443 nan 8.230 nan 0.000 0.429 295 L N 4.011 125.174 121.223 -0.099 0.000 2.295 295 L HA 0.497 4.843 4.340 0.010 0.000 0.285 295 L C -0.234 176.567 176.870 -0.115 0.000 1.035 295 L CA -0.369 54.447 54.840 -0.040 0.000 0.806 295 L CB 1.739 43.821 42.059 0.039 0.000 1.214 295 L HN 0.567 nan 8.230 nan 0.000 0.426 296 Q N 2.718 122.474 119.800 -0.073 0.000 2.327 296 Q HA 0.661 5.007 4.340 0.010 0.000 0.270 296 Q C -1.048 174.889 176.000 -0.105 0.000 1.022 296 Q CA -0.532 55.225 55.803 -0.077 0.000 0.773 296 Q CB 2.099 30.865 28.738 0.048 0.000 1.251 296 Q HN 0.793 nan 8.270 nan 0.000 0.457 297 A N 4.868 127.573 122.820 -0.192 0.000 2.271 297 A HA 0.652 4.978 4.320 0.010 0.000 0.288 297 A C -2.418 174.893 177.584 -0.454 0.000 1.094 297 A CA -1.620 50.141 52.037 -0.459 0.000 0.828 297 A CB 0.107 18.935 19.000 -0.286 0.000 1.091 297 A HN 0.639 nan 8.150 nan 0.000 0.493 298 P HA 0.062 nan 4.420 nan 0.000 0.261 298 P C -0.767 176.427 177.300 -0.176 0.000 1.183 298 P CA 0.795 63.678 63.100 -0.361 0.000 0.761 298 P CB 0.108 31.595 31.700 -0.355 0.000 0.785 299 D N 0.671 121.014 120.400 -0.094 0.000 2.772 299 D HA -0.180 4.466 4.640 0.010 0.000 0.233 299 D C -0.272 176.007 176.300 -0.036 0.000 1.143 299 D CA 1.260 55.234 54.000 -0.043 0.000 0.700 299 D CB -0.823 39.956 40.800 -0.034 0.000 1.076 299 D HN 0.569 nan 8.370 nan 0.000 0.430 300 E N -0.783 119.390 120.200 -0.044 0.000 2.367 300 E HA 0.652 5.008 4.350 0.010 0.000 0.273 300 E C -0.197 176.385 176.600 -0.028 0.000 0.903 300 E CA -0.879 55.498 56.400 -0.038 0.000 0.764 300 E CB 1.791 31.455 29.700 -0.061 0.000 1.252 300 E HN 0.131 nan 8.360 nan 0.000 0.446 301 A N 2.804 125.609 122.820 -0.025 0.000 2.448 301 A HA 0.308 4.634 4.320 0.010 0.000 0.239 301 A C -2.029 175.459 177.584 -0.162 0.000 1.080 301 A CA -0.818 51.197 52.037 -0.036 0.000 0.779 301 A CB -0.460 18.541 19.000 0.001 0.000 1.026 301 A HN 0.333 nan 8.150 nan 0.000 0.499 302 P HA 0.208 nan 4.420 nan 0.000 0.271 302 P C -0.666 176.369 177.300 -0.442 0.000 1.218 302 P CA 0.073 62.816 63.100 -0.594 0.000 0.780 302 P CB 0.794 31.652 31.700 -1.404 0.000 0.901 303 E N 0.689 120.701 120.200 -0.312 0.000 2.207 303 E HA 0.430 4.786 4.350 0.010 0.000 0.270 303 E C -0.821 175.542 176.600 -0.395 0.000 0.927 303 E CA -1.055 55.160 56.400 -0.308 0.000 0.799 303 E CB 1.402 30.978 29.700 -0.206 0.000 1.172 303 E HN 0.274 nan 8.360 nan 0.000 0.404 304 L N 3.150 124.051 121.223 -0.537 0.000 2.289 304 L HA 0.449 4.795 4.340 0.010 0.000 0.285 304 L C -1.585 174.804 176.870 -0.800 0.000 1.049 304 L CA 0.117 54.673 54.840 -0.474 0.000 0.804 304 L CB 0.204 42.095 42.059 -0.280 0.000 1.195 304 L HN 0.408 nan 8.230 nan 0.000 0.428 305 F N 3.961 123.702 119.950 -0.349 0.000 2.547 305 F HA 0.512 5.046 4.527 0.011 0.000 0.316 305 F C -0.330 175.235 175.800 -0.392 0.000 1.121 305 F CA -0.885 56.772 58.000 -0.573 0.000 0.911 305 F CB 1.997 40.343 39.000 -1.090 0.000 1.179 305 F HN 0.012 nan 8.300 nan 0.000 0.443 306 V N 4.763 124.592 119.914 -0.141 0.000 2.383 306 V HA 0.299 4.425 4.120 0.010 0.000 0.275 306 V C 0.119 176.313 176.094 0.166 0.000 1.036 306 V CA -0.766 61.539 62.300 0.009 0.000 0.889 306 V CB 1.352 33.212 31.823 0.061 0.000 0.985 306 V HN 0.540 nan 8.190 nan 0.000 0.459 307 L N 7.433 128.775 121.223 0.199 0.000 2.410 307 L HA 0.258 4.604 4.340 0.010 0.000 0.273 307 L C -2.088 174.891 176.870 0.181 0.000 1.152 307 L CA -1.426 53.571 54.840 0.261 0.000 0.855 307 L CB 0.508 42.646 42.059 0.131 0.000 1.129 307 L HN 0.428 nan 8.230 nan 0.000 0.463 308 P HA 0.056 nan 4.420 nan 0.000 0.262 308 P C -1.987 175.363 177.300 0.084 0.000 1.199 308 P CA -0.899 62.275 63.100 0.123 0.000 0.763 308 P CB 0.423 32.184 31.700 0.102 0.000 0.790 309 P HA -0.264 nan 4.420 nan 0.000 0.218 309 P C 1.400 178.730 177.300 0.051 0.000 1.154 309 P CA 1.477 64.618 63.100 0.069 0.000 0.872 309 P CB -0.203 31.541 31.700 0.073 0.000 0.790 310 E N -0.138 120.089 120.200 0.044 0.000 2.333 310 E HA -0.152 4.204 4.350 0.010 0.000 0.198 310 E C 1.684 178.298 176.600 0.024 0.000 1.007 310 E CA 1.065 57.483 56.400 0.031 0.000 0.845 310 E CB -1.071 28.645 29.700 0.026 0.000 0.766 310 E HN 0.337 nan 8.360 nan 0.000 0.507 311 L N 0.808 122.046 121.223 0.025 0.000 2.375 311 L HA 0.099 4.445 4.340 0.010 0.000 0.215 311 L C 0.725 177.605 176.870 0.017 0.000 1.108 311 L CA 0.050 54.898 54.840 0.013 0.000 0.830 311 L CB 0.472 42.529 42.059 -0.002 0.000 0.959 311 L HN -0.107 nan 8.230 nan 0.000 0.457 312 V N 2.335 122.263 119.914 0.023 0.000 2.284 312 V HA 0.133 4.259 4.120 0.010 0.000 0.260 312 V C 0.064 176.182 176.094 0.041 0.000 1.084 312 V CA -0.518 61.794 62.300 0.021 0.000 0.894 312 V CB 1.016 32.841 31.823 0.004 0.000 1.119 312 V HN 0.060 nan 8.190 nan 0.000 0.484 313 L N 5.591 126.843 121.223 0.049 0.000 2.410 313 L HA 0.383 4.729 4.340 0.010 0.000 0.273 313 L C 0.231 177.135 176.870 0.057 0.000 1.144 313 L CA 0.862 55.726 54.840 0.039 0.000 0.863 313 L CB 0.221 42.298 42.059 0.031 0.000 1.140 313 L HN 0.647 nan 8.230 nan 0.000 0.463 314 E N 3.312 123.525 120.200 0.022 0.000 2.299 314 E HA 0.618 4.974 4.350 0.010 0.000 0.265 314 E C -1.451 175.094 176.600 -0.092 0.000 0.911 314 E CA -1.056 55.355 56.400 0.018 0.000 0.789 314 E CB 2.471 32.212 29.700 0.069 0.000 1.246 314 E HN 0.363 nan 8.360 nan 0.000 0.427 315 V N 2.721 122.547 119.914 -0.147 0.000 2.443 315 V HA 0.296 4.422 4.120 0.010 0.000 0.293 315 V C -2.454 173.571 176.094 -0.114 0.000 1.021 315 V CA -1.975 60.181 62.300 -0.239 0.000 0.848 315 V CB 1.421 32.865 31.823 -0.632 0.000 0.998 315 V HN 0.521 nan 8.190 nan 0.000 0.424 316 P HA 0.283 nan 4.420 nan 0.000 0.271 316 P C -0.667 176.639 177.300 0.010 0.000 1.216 316 P CA -0.107 62.964 63.100 -0.049 0.000 0.776 316 P CB 0.595 32.275 31.700 -0.033 0.000 0.881 317 L N 3.484 124.747 121.223 0.068 0.000 2.292 317 L HA 0.468 4.814 4.340 0.010 0.000 0.284 317 L C 0.943 177.976 176.870 0.273 0.000 1.065 317 L CA -0.201 54.749 54.840 0.183 0.000 0.806 317 L CB 0.623 42.854 42.059 0.288 0.000 1.175 317 L HN 0.491 nan 8.230 nan 0.000 0.431 318 E N 1.844 122.176 120.200 0.221 0.000 2.408 318 E HA 0.395 4.751 4.350 0.010 0.000 0.275 318 E C -1.340 175.290 176.600 0.051 0.000 0.935 318 E CA -0.943 55.595 56.400 0.230 0.000 0.775 318 E CB 2.240 32.047 29.700 0.178 0.000 1.277 318 E HN 0.467 nan 8.360 nan 0.000 0.455 319 H N 1.946 120.882 119.070 -0.223 0.000 2.479 319 H HA 0.228 4.790 4.556 0.010 0.000 0.335 319 H C -1.699 173.313 175.328 -0.528 0.000 1.142 319 H CA -2.237 53.512 56.048 -0.497 0.000 1.234 319 H CB 1.931 31.294 29.762 -0.665 0.000 1.503 319 H HN 0.443 nan 8.280 nan 0.000 0.510 320 P HA -0.128 nan 4.420 nan 0.000 0.218 320 P C 0.913 178.047 177.300 -0.277 0.000 1.148 320 P CA 1.853 64.431 63.100 -0.869 0.000 0.822 320 P CB 0.476 31.673 31.700 -0.838 0.000 0.784 321 T N -4.005 110.568 114.554 0.032 0.000 3.028 321 T HA 0.187 4.543 4.350 0.010 0.000 0.250 321 T C 0.991 175.634 174.700 -0.095 0.000 0.979 321 T CA -0.250 61.849 62.100 -0.000 0.000 1.004 321 T CB -0.711 68.166 68.868 0.016 0.000 1.120 321 T HN -0.074 nan 8.240 nan 0.000 0.482 322 L N 2.997 124.057 121.223 -0.272 0.000 2.454 322 L HA 0.290 4.636 4.340 0.010 0.000 0.284 322 L C 1.293 177.786 176.870 -0.628 0.000 1.139 322 L CA -0.159 54.258 54.840 -0.705 0.000 0.911 322 L CB 0.182 41.424 42.059 -1.362 0.000 1.262 322 L HN 0.321 nan 8.230 nan 0.000 0.453 323 E N 3.298 123.300 120.200 -0.330 0.000 2.209 323 E HA -0.205 4.151 4.350 0.010 0.000 0.196 323 E C 1.555 178.117 176.600 -0.062 0.000 0.993 323 E CA 1.394 57.715 56.400 -0.132 0.000 0.819 323 E CB 0.021 29.715 29.700 -0.009 0.000 0.745 323 E HN 0.828 nan 8.360 nan 0.000 0.477 324 W N -0.170 121.179 121.300 0.082 0.000 2.678 324 W HA -0.003 4.663 4.660 0.011 0.000 0.256 324 W C 1.475 178.051 176.519 0.095 0.000 1.280 324 W CA -0.229 57.156 57.345 0.067 0.000 1.345 324 W CB -0.870 28.608 29.460 0.030 0.000 1.118 324 W HN -0.053 nan 8.180 nan 0.000 0.629 325 F N 2.999 122.742 119.950 -0.345 0.000 2.161 325 F HA -0.165 4.368 4.527 0.010 0.000 0.300 325 F C 2.680 178.513 175.800 0.055 0.000 1.089 325 F CA 2.977 60.887 58.000 -0.150 0.000 1.282 325 F CB -0.468 38.292 39.000 -0.401 0.000 1.010 325 F HN -0.077 nan 8.300 nan 0.000 0.485 326 A N 0.006 122.965 122.820 0.232 0.000 1.972 326 A HA -0.093 4.233 4.320 0.010 0.000 0.219 326 A C 2.299 179.947 177.584 0.107 0.000 1.169 326 A CA 1.476 53.617 52.037 0.172 0.000 0.635 326 A CB -1.392 17.685 19.000 0.129 0.000 0.810 326 A HN 0.439 nan 8.150 nan 0.000 0.446 327 A N -0.904 121.989 122.820 0.122 0.000 2.121 327 A HA 0.061 4.387 4.320 0.010 0.000 0.218 327 A C 1.780 179.404 177.584 0.065 0.000 1.154 327 A CA 1.276 53.374 52.037 0.101 0.000 0.679 327 A CB -0.406 18.676 19.000 0.136 0.000 0.795 327 A HN 0.378 nan 8.150 nan 0.000 0.458 328 L N -0.816 120.421 121.223 0.024 0.000 2.353 328 L HA 0.042 4.388 4.340 0.010 0.000 0.220 328 L C 1.924 178.801 176.870 0.012 0.000 1.133 328 L CA 1.285 56.105 54.840 -0.032 0.000 0.798 328 L CB -1.188 40.733 42.059 -0.231 0.000 0.922 328 L HN 0.667 nan 8.230 nan 0.000 0.445 329 G N -0.748 108.064 108.800 0.020 0.000 2.179 329 G HA2 -0.292 3.674 3.960 0.010 0.000 0.257 329 G HA3 -0.292 3.674 3.960 0.010 0.000 0.257 329 G C 0.398 175.285 174.900 -0.023 0.000 1.010 329 G CA 0.452 45.569 45.100 0.029 0.000 0.736 329 G HN 0.330 nan 8.290 nan 0.000 0.513 330 L N -0.437 120.751 121.223 -0.058 0.000 2.439 330 L HA 0.816 5.162 4.340 0.010 0.000 0.261 330 L C 1.115 177.784 176.870 -0.336 0.000 1.153 330 L CA -0.587 54.144 54.840 -0.181 0.000 0.808 330 L CB 0.945 43.007 42.059 0.005 0.000 1.126 330 L HN 0.592 nan 8.230 nan 0.000 0.460 331 R N 0.663 120.783 120.500 -0.633 0.000 2.752 331 R HA 0.478 4.824 4.340 0.010 0.000 0.277 331 R C -2.185 174.042 176.300 -0.122 0.000 1.024 331 R CA -1.026 54.855 56.100 -0.365 0.000 0.866 331 R CB 1.595 31.627 30.300 -0.445 0.000 1.278 331 R HN 0.658 nan 8.270 nan 0.000 0.473 332 W N 1.124 122.364 121.300 -0.099 0.000 3.146 332 W HA 0.344 5.010 4.660 0.009 0.000 0.319 332 W C -1.384 175.195 176.519 0.099 0.000 1.258 332 W CA -0.895 56.478 57.345 0.046 0.000 1.189 332 W CB 1.908 31.309 29.460 -0.098 0.000 1.412 332 W HN 0.676 nan 8.180 nan 0.000 0.567 333 Y N 0.988 121.191 120.300 -0.162 0.000 2.307 333 Y HA 0.586 5.141 4.550 0.010 0.000 0.324 333 Y C 0.776 176.898 175.900 0.370 0.000 1.238 333 Y CA 0.003 58.110 58.100 0.013 0.000 1.280 333 Y CB 0.359 38.700 38.460 -0.198 0.000 1.248 333 Y HN 0.345 nan 8.280 nan 0.000 0.508 334 A N 2.422 125.500 122.820 0.429 0.000 1.970 334 A HA 0.052 4.378 4.320 0.010 0.000 0.216 334 A C 0.532 178.477 177.584 0.601 0.000 1.170 334 A CA 0.397 52.741 52.037 0.511 0.000 0.645 334 A CB -0.330 18.803 19.000 0.221 0.000 0.816 334 A HN 0.693 nan 8.150 nan 0.000 0.447 335 L N 2.014 123.539 121.223 0.503 0.000 2.262 335 L HA 0.394 4.740 4.340 0.010 0.000 0.288 335 L C -2.510 174.533 176.870 0.288 0.000 1.035 335 L CA -2.143 52.897 54.840 0.332 0.000 0.820 335 L CB 1.528 43.706 42.059 0.199 0.000 1.204 335 L HN -0.013 nan 8.230 nan 0.000 0.424 336 P HA 0.299 nan 4.420 nan 0.000 0.288 336 P C -1.368 175.849 177.300 -0.138 0.000 1.363 336 P CA -0.329 62.666 63.100 -0.174 0.000 0.837 336 P CB 1.324 32.499 31.700 -0.875 0.000 0.981 337 A N 4.726 127.469 122.820 -0.128 0.000 2.586 337 A HA 0.380 4.706 4.320 0.010 0.000 0.320 337 A C -0.063 177.296 177.584 -0.375 0.000 1.281 337 A CA -0.666 51.217 52.037 -0.256 0.000 0.775 337 A CB 0.574 19.433 19.000 -0.235 0.000 1.122 337 A HN 0.303 nan 8.150 nan 0.000 0.470 338 V N 2.714 122.259 119.914 -0.614 0.000 2.540 338 V HA 0.149 4.275 4.120 0.010 0.000 0.297 338 V C 1.296 176.976 176.094 -0.690 0.000 1.024 338 V CA 1.453 63.352 62.300 -0.668 0.000 1.105 338 V CB 0.933 32.192 31.823 -0.940 0.000 0.938 338 V HN 1.079 nan 8.190 nan 0.000 0.482 339 S N 1.676 117.181 115.700 -0.325 0.000 2.733 339 S HA 0.063 4.539 4.470 0.010 0.000 0.247 339 S C 0.772 175.349 174.600 -0.037 0.000 1.043 339 S CA 0.062 58.155 58.200 -0.178 0.000 1.066 339 S CB -0.361 62.776 63.200 -0.106 0.000 1.045 339 S HN 0.917 nan 8.310 nan 0.000 0.586 340 N N 0.456 119.145 118.700 -0.019 0.000 2.187 340 N HA 0.297 5.043 4.740 0.010 0.000 0.212 340 N C 0.137 175.703 175.510 0.094 0.000 1.152 340 N CA -0.497 52.583 53.050 0.050 0.000 0.872 340 N CB 0.121 38.639 38.487 0.052 0.000 1.025 340 N HN 0.270 nan 8.380 nan 0.000 0.514 341 M N 1.398 121.067 119.600 0.115 0.000 2.342 341 M HA 0.303 4.789 4.480 0.010 0.000 0.332 341 M C -0.543 175.904 176.300 0.245 0.000 1.166 341 M CA -0.767 54.651 55.300 0.198 0.000 1.086 341 M CB 2.316 35.070 32.600 0.257 0.000 1.541 341 M HN 0.133 nan 8.290 nan 0.000 0.462 342 L N 2.984 124.336 121.223 0.214 0.000 2.295 342 L HA 0.492 4.838 4.340 0.010 0.000 0.285 342 L C -1.286 175.701 176.870 0.194 0.000 1.035 342 L CA -0.907 54.045 54.840 0.186 0.000 0.806 342 L CB 1.087 43.204 42.059 0.098 0.000 1.214 342 L HN 0.573 nan 8.230 nan 0.000 0.426 343 L N 5.426 126.758 121.223 0.181 0.000 2.255 343 L HA 0.424 4.770 4.340 0.010 0.000 0.289 343 L C -0.410 176.474 176.870 0.023 0.000 1.046 343 L CA 0.261 55.087 54.840 -0.024 0.000 0.816 343 L CB 0.962 43.000 42.059 -0.035 0.000 1.197 343 L HN 0.630 nan 8.230 nan 0.000 0.427 344 E N 6.627 126.757 120.200 -0.115 0.000 2.133 344 E HA 0.378 4.734 4.350 0.010 0.000 0.274 344 E C -1.512 174.993 176.600 -0.158 0.000 0.930 344 E CA -0.408 55.938 56.400 -0.090 0.000 0.770 344 E CB 1.050 30.696 29.700 -0.090 0.000 1.104 344 E HN 0.717 nan 8.360 nan 0.000 0.403 345 I N 2.803 123.284 120.570 -0.148 0.000 2.468 345 I HA 0.249 4.425 4.170 0.010 0.000 0.285 345 I C 0.743 176.645 176.117 -0.358 0.000 1.039 345 I CA -0.712 60.371 61.300 -0.363 0.000 1.074 345 I CB 1.932 39.652 38.000 -0.466 0.000 1.228 345 I HN 0.796 nan 8.210 nan 0.000 0.436 346 G N 4.275 112.918 108.800 -0.262 0.000 2.390 346 G HA2 -0.122 3.844 3.960 0.010 0.000 0.299 346 G HA3 -0.122 3.844 3.960 0.010 0.000 0.299 346 G C 1.040 176.018 174.900 0.129 0.000 1.002 346 G CA 0.843 45.987 45.100 0.074 0.000 0.979 346 G HN 1.501 nan 8.290 nan 0.000 0.513 347 G N -1.720 107.096 108.800 0.026 0.000 2.299 347 G HA2 -0.258 3.708 3.960 0.010 0.000 0.237 347 G HA3 -0.258 3.708 3.960 0.010 0.000 0.237 347 G C 0.650 175.501 174.900 -0.081 0.000 1.027 347 G CA 0.417 45.528 45.100 0.018 0.000 0.619 347 G HN 1.319 nan 8.290 nan 0.000 0.513 348 L N 1.086 122.203 121.223 -0.177 0.000 2.439 348 L HA 0.488 4.834 4.340 0.010 0.000 0.269 348 L C 0.431 177.069 176.870 -0.386 0.000 1.179 348 L CA 0.132 54.741 54.840 -0.385 0.000 0.828 348 L CB 0.662 42.380 42.059 -0.569 0.000 1.106 348 L HN 0.248 nan 8.230 nan 0.000 0.467 349 E N 2.537 122.438 120.200 -0.498 0.000 2.185 349 E HA 0.317 4.673 4.350 0.010 0.000 0.261 349 E C -1.419 174.886 176.600 -0.491 0.000 0.879 349 E CA -0.371 55.817 56.400 -0.354 0.000 0.756 349 E CB 1.368 30.957 29.700 -0.185 0.000 1.152 349 E HN 0.273 nan 8.360 nan 0.000 0.416 350 F N 2.242 122.154 119.950 -0.064 0.000 2.329 350 F HA 0.086 4.619 4.527 0.012 0.000 0.362 350 F C 1.652 177.482 175.800 0.050 0.000 1.113 350 F CA -0.447 57.543 58.000 -0.018 0.000 1.212 350 F CB 0.771 39.742 39.000 -0.049 0.000 1.509 350 F HN 0.423 nan 8.300 nan 0.000 0.546 351 S N 1.181 116.974 115.700 0.155 0.000 2.440 351 S HA 0.014 4.490 4.470 0.010 0.000 0.238 351 S C 0.921 175.649 174.600 0.212 0.000 1.010 351 S CA 0.540 58.832 58.200 0.154 0.000 0.972 351 S CB -0.062 63.208 63.200 0.117 0.000 0.774 351 S HN 0.468 nan 8.310 nan 0.000 0.501 352 A N 0.403 123.394 122.820 0.284 0.000 2.363 352 A HA 0.829 5.155 4.320 0.010 0.000 0.296 352 A C -0.164 177.665 177.584 0.409 0.000 1.237 352 A CA -0.176 52.064 52.037 0.339 0.000 0.773 352 A CB 0.974 20.175 19.000 0.336 0.000 1.153 352 A HN 1.084 nan 8.150 nan 0.000 0.473 353 A N 4.219 127.229 122.820 0.318 0.000 3.277 353 A HA 0.610 4.936 4.320 0.010 0.000 0.281 353 A C -3.042 174.687 177.584 0.241 0.000 1.179 353 A CA -0.849 51.327 52.037 0.232 0.000 0.879 353 A CB 0.406 19.537 19.000 0.219 0.000 1.374 353 A HN 0.523 nan 8.150 nan 0.000 0.590 354 P HA 0.437 nan 4.420 nan 0.000 0.268 354 P C -0.736 176.590 177.300 0.042 0.000 1.204 354 P CA 0.421 63.494 63.100 -0.045 0.000 0.768 354 P CB 0.327 31.969 31.700 -0.097 0.000 0.842 355 F N -0.282 119.619 119.950 -0.081 0.000 2.603 355 F HA 0.795 5.328 4.527 0.009 0.000 0.317 355 F C -0.631 175.090 175.800 -0.133 0.000 1.066 355 F CA -1.208 56.743 58.000 -0.082 0.000 0.941 355 F CB 1.638 40.462 39.000 -0.294 0.000 1.291 355 F HN 0.428 nan 8.300 nan 0.000 0.472 356 S N -0.015 115.773 115.700 0.146 0.000 2.550 356 S HA 0.909 5.385 4.470 0.010 0.000 0.270 356 S C -0.796 173.760 174.600 -0.073 0.000 1.145 356 S CA -0.172 58.043 58.200 0.025 0.000 0.852 356 S CB 1.409 64.690 63.200 0.135 0.000 1.119 356 S HN 1.482 nan 8.310 nan 0.000 0.465 357 G N 0.098 108.806 108.800 -0.153 0.000 3.359 357 G HA2 0.751 4.717 3.960 0.010 0.000 0.187 357 G HA3 0.751 4.717 3.960 0.010 0.000 0.187 357 G C -1.417 173.473 174.900 -0.016 0.000 1.294 357 G CA -0.236 44.700 45.100 -0.274 0.000 0.769 357 G HN 1.202 nan 8.290 nan 0.000 0.733 358 W N -1.560 119.748 121.300 0.013 0.000 3.118 358 W HA 0.799 5.464 4.660 0.008 0.000 0.328 358 W C -1.771 174.754 176.519 0.010 0.000 1.239 358 W CA -2.214 55.159 57.345 0.046 0.000 1.176 358 W CB 0.378 29.908 29.460 0.116 0.000 1.433 358 W HN 0.392 nan 8.180 nan 0.000 0.562 359 Y N 2.755 123.257 120.300 0.337 0.000 2.397 359 Y HA 0.291 4.847 4.550 0.010 0.000 0.335 359 Y C 0.879 176.850 175.900 0.118 0.000 1.213 359 Y CA -0.516 57.663 58.100 0.132 0.000 1.391 359 Y CB 1.142 39.587 38.460 -0.024 0.000 1.293 359 Y HN 0.477 nan 8.280 nan 0.000 0.557 360 M N 2.240 121.997 119.600 0.261 0.000 2.180 360 M HA 0.218 4.704 4.480 0.010 0.000 0.350 360 M C 0.995 177.306 176.300 0.019 0.000 1.125 360 M CA -0.308 55.075 55.300 0.137 0.000 1.031 360 M CB 1.195 33.852 32.600 0.094 0.000 1.623 360 M HN 0.822 nan 8.290 nan 0.000 0.451 361 S N 1.463 117.127 115.700 -0.061 0.000 2.407 361 S HA -0.201 4.275 4.470 0.010 0.000 0.235 361 S C 1.493 175.962 174.600 -0.217 0.000 1.036 361 S CA 2.215 60.300 58.200 -0.191 0.000 1.013 361 S CB -1.375 61.744 63.200 -0.135 0.000 0.820 361 S HN 0.932 nan 8.310 nan 0.000 0.476 362 T N -0.435 114.020 114.554 -0.165 0.000 3.007 362 T HA 0.038 4.394 4.350 0.010 0.000 0.270 362 T C 1.528 176.086 174.700 -0.236 0.000 1.107 362 T CA 1.078 63.034 62.100 -0.241 0.000 1.118 362 T CB -0.512 68.172 68.868 -0.307 0.000 0.889 362 T HN 0.599 nan 8.240 nan 0.000 0.506 363 E N 0.787 120.874 120.200 -0.189 0.000 2.077 363 E HA -0.020 4.336 4.350 0.010 0.000 0.193 363 E C 2.007 178.375 176.600 -0.386 0.000 0.989 363 E CA 1.308 57.609 56.400 -0.164 0.000 0.800 363 E CB -0.214 29.532 29.700 0.076 0.000 0.746 363 E HN 0.590 nan 8.360 nan 0.000 0.452 364 I N 0.155 120.361 120.570 -0.607 0.000 2.260 364 I HA -0.068 4.108 4.170 0.010 0.000 0.237 364 I C 2.602 178.353 176.117 -0.609 0.000 1.075 364 I CA 0.945 61.689 61.300 -0.927 0.000 1.376 364 I CB -0.591 36.764 38.000 -1.076 0.000 1.107 364 I HN 0.117 nan 8.210 nan 0.000 0.420 365 G N 0.132 108.683 108.800 -0.415 0.000 2.422 365 G HA2 -0.181 3.785 3.960 0.010 0.000 0.218 365 G HA3 -0.181 3.785 3.960 0.010 0.000 0.218 365 G C 1.621 176.401 174.900 -0.199 0.000 1.146 365 G CA 1.568 46.517 45.100 -0.252 0.000 0.769 365 G HN 0.307 nan 8.290 nan 0.000 0.547 366 T N -0.218 114.199 114.554 -0.228 0.000 2.988 366 T HA 0.110 4.466 4.350 0.010 0.000 0.240 366 T C 2.533 177.123 174.700 -0.182 0.000 1.014 366 T CA 0.240 62.227 62.100 -0.188 0.000 1.155 366 T CB 0.109 68.850 68.868 -0.212 0.000 0.872 366 T HN 0.012 nan 8.240 nan 0.000 0.440 367 R N 2.099 122.473 120.500 -0.211 0.000 2.056 367 R HA 0.158 4.504 4.340 0.010 0.000 0.227 367 R C 2.196 178.384 176.300 -0.187 0.000 1.149 367 R CA 1.074 57.061 56.100 -0.189 0.000 0.937 367 R CB -1.249 28.948 30.300 -0.172 0.000 0.835 367 R HN 0.317 nan 8.270 nan 0.000 0.430 368 N N 1.066 119.613 118.700 -0.254 0.000 2.104 368 N HA -0.102 4.644 4.740 0.010 0.000 0.190 368 N C 1.964 177.408 175.510 -0.109 0.000 1.024 368 N CA 1.109 54.017 53.050 -0.237 0.000 0.853 368 N CB -0.253 37.805 38.487 -0.714 0.000 1.008 368 N HN 0.196 nan 8.380 nan 0.000 0.424 369 L N -0.748 120.352 121.223 -0.205 0.000 2.249 369 L HA 0.064 4.410 4.340 0.010 0.000 0.207 369 L C 1.449 178.345 176.870 0.044 0.000 1.090 369 L CA 0.494 55.311 54.840 -0.038 0.000 0.802 369 L CB 0.104 42.111 42.059 -0.087 0.000 0.947 369 L HN 0.171 nan 8.230 nan 0.000 0.453 370 C N -1.613 117.670 119.300 -0.028 0.000 3.065 370 C HA 0.167 4.633 4.460 0.010 0.000 0.285 370 C C 0.738 175.703 174.990 -0.041 0.000 1.257 370 C CA -0.940 58.071 59.018 -0.012 0.000 1.691 370 C CB -0.286 27.435 27.740 -0.031 0.000 2.089 370 C HN 0.304 nan 8.230 nan 0.000 0.630 371 D N 2.422 122.760 120.400 -0.103 0.000 2.472 371 D HA 0.057 4.703 4.640 0.010 0.000 0.237 371 D C -1.419 174.817 176.300 -0.107 0.000 1.141 371 D CA -0.988 52.910 54.000 -0.171 0.000 0.875 371 D CB 0.561 41.093 40.800 -0.448 0.000 1.192 371 D HN 0.135 nan 8.370 nan 0.000 0.450 372 P HA -0.133 nan 4.420 nan 0.000 0.218 372 P C 0.725 178.088 177.300 0.105 0.000 1.149 372 P CA 1.238 64.391 63.100 0.087 0.000 0.817 372 P CB -0.008 31.776 31.700 0.140 0.000 0.785 373 H N -2.646 116.433 119.070 0.016 0.000 2.524 373 H HA 0.335 4.897 4.556 0.010 0.000 0.280 373 H C 0.898 176.235 175.328 0.015 0.000 1.018 373 H CA -0.005 56.050 56.048 0.012 0.000 1.165 373 H CB -0.029 29.741 29.762 0.012 0.000 1.411 373 H HN -0.005 nan 8.280 nan 0.000 0.569 374 R N -0.175 120.232 120.500 -0.156 0.000 3.066 374 R HA 0.172 4.518 4.340 0.010 0.000 0.143 374 R C 1.145 177.417 176.300 -0.047 0.000 1.187 374 R CA -0.742 55.309 56.100 -0.080 0.000 0.722 374 R CB -0.832 29.439 30.300 -0.050 0.000 1.366 374 R HN 0.079 nan 8.270 nan 0.000 0.421 375 Y N 1.701 122.017 120.300 0.026 0.000 2.403 375 Y HA -0.067 4.489 4.550 0.010 0.000 0.291 375 Y C 0.833 176.756 175.900 0.038 0.000 1.143 375 Y CA 1.409 59.540 58.100 0.052 0.000 1.257 375 Y CB -0.363 38.170 38.460 0.122 0.000 0.984 375 Y HN 0.569 nan 8.280 nan 0.000 0.550 376 N N 0.822 119.603 118.700 0.134 0.000 2.714 376 N HA -0.229 4.517 4.740 0.010 0.000 0.252 376 N C 0.532 176.119 175.510 0.127 0.000 1.014 376 N CA 0.331 53.439 53.050 0.096 0.000 0.735 376 N CB -1.021 37.505 38.487 0.065 0.000 0.924 376 N HN 0.621 nan 8.380 nan 0.000 0.540 377 I N -3.169 117.493 120.570 0.153 0.000 3.684 377 I HA -0.003 4.173 4.170 0.010 0.000 0.304 377 I C 1.729 177.942 176.117 0.159 0.000 1.278 377 I CA -0.375 61.016 61.300 0.152 0.000 1.272 377 I CB -0.030 38.067 38.000 0.162 0.000 1.029 377 I HN 0.096 nan 8.210 nan 0.000 0.458 378 L N 1.812 123.135 121.223 0.167 0.000 1.978 378 L HA -0.258 4.088 4.340 0.010 0.000 0.218 378 L C 2.635 179.710 176.870 0.343 0.000 1.075 378 L CA 2.245 57.219 54.840 0.224 0.000 0.767 378 L CB -1.024 41.135 42.059 0.166 0.000 0.890 378 L HN 0.507 nan 8.230 nan 0.000 0.434 379 E N -1.030 119.376 120.200 0.344 0.000 2.077 379 E HA -0.238 4.118 4.350 0.010 0.000 0.193 379 E C 1.776 178.418 176.600 0.070 0.000 0.989 379 E CA 1.394 57.924 56.400 0.217 0.000 0.800 379 E CB 0.020 29.785 29.700 0.109 0.000 0.746 379 E HN 0.507 nan 8.360 nan 0.000 0.452 380 D N 0.074 120.515 120.400 0.069 0.000 2.106 380 D HA -0.173 4.473 4.640 0.010 0.000 0.191 380 D C 2.086 178.389 176.300 0.004 0.000 0.997 380 D CA 1.356 55.364 54.000 0.014 0.000 0.834 380 D CB -0.355 40.462 40.800 0.028 0.000 0.956 380 D HN 0.143 nan 8.370 nan 0.000 0.448 381 V N 1.518 121.489 119.914 0.095 0.000 2.407 381 V HA -0.211 3.915 4.120 0.010 0.000 0.248 381 V C 2.559 178.738 176.094 0.142 0.000 1.055 381 V CA 1.669 64.072 62.300 0.171 0.000 1.049 381 V CB -0.794 31.218 31.823 0.315 0.000 0.662 381 V HN 0.182 nan 8.190 nan 0.000 0.455 382 A N -0.105 122.812 122.820 0.162 0.000 1.902 382 A HA -0.165 4.161 4.320 0.010 0.000 0.217 382 A C 2.407 179.970 177.584 -0.035 0.000 1.181 382 A CA 2.092 54.215 52.037 0.145 0.000 0.623 382 A CB -0.714 18.444 19.000 0.264 0.000 0.818 382 A HN 0.330 nan 8.150 nan 0.000 0.443 383 V N -0.790 119.056 119.914 -0.113 0.000 2.332 383 V HA -0.335 3.791 4.120 0.010 0.000 0.248 383 V C 2.641 178.588 176.094 -0.244 0.000 1.055 383 V CA 2.090 64.283 62.300 -0.179 0.000 1.038 383 V CB -1.067 30.652 31.823 -0.174 0.000 0.651 383 V HN 0.717 nan 8.190 nan 0.000 0.450 384 C N -0.493 118.599 119.300 -0.347 0.000 2.422 384 C HA -0.133 4.333 4.460 0.010 0.000 0.279 384 C C 2.601 177.194 174.990 -0.662 0.000 1.305 384 C CA 0.994 59.567 59.018 -0.742 0.000 1.757 384 C CB -0.999 25.963 27.740 -1.295 0.000 1.962 384 C HN 0.532 nan 8.230 nan 0.000 0.499 385 M N -0.022 119.435 119.600 -0.238 0.000 2.618 385 M HA 0.042 4.528 4.480 0.010 0.000 0.240 385 M C 0.426 176.714 176.300 -0.020 0.000 1.123 385 M CA 0.755 56.070 55.300 0.025 0.000 1.060 385 M CB -0.396 32.317 32.600 0.188 0.000 1.535 385 M HN 0.214 nan 8.290 nan 0.000 0.507 386 D N 1.606 121.943 120.400 -0.104 0.000 2.699 386 D HA -0.150 4.496 4.640 0.010 0.000 0.239 386 D C -0.992 175.280 176.300 -0.047 0.000 1.136 386 D CA 0.528 54.475 54.000 -0.088 0.000 0.668 386 D CB -0.849 39.907 40.800 -0.072 0.000 1.060 386 D HN 0.309 nan 8.370 nan 0.000 0.429 387 L N -0.230 120.968 121.223 -0.042 0.000 2.387 387 L HA 0.417 4.763 4.340 0.010 0.000 0.266 387 L C 0.874 177.687 176.870 -0.094 0.000 1.059 387 L CA -0.955 53.881 54.840 -0.006 0.000 0.801 387 L CB 0.802 42.919 42.059 0.097 0.000 1.223 387 L HN -0.042 nan 8.230 nan 0.000 0.456 388 D N 0.484 120.849 120.400 -0.058 0.000 2.402 388 D HA 0.025 4.671 4.640 0.010 0.000 0.235 388 D C 0.943 177.063 176.300 -0.300 0.000 1.226 388 D CA -0.152 53.776 54.000 -0.120 0.000 0.918 388 D CB 0.771 41.556 40.800 -0.026 0.000 1.043 388 D HN 0.594 nan 8.370 nan 0.000 0.506 389 T N 0.634 114.823 114.554 -0.607 0.000 3.169 389 T HA 0.114 4.470 4.350 0.010 0.000 0.250 389 T C 1.303 175.645 174.700 -0.596 0.000 1.111 389 T CA -0.048 61.267 62.100 -1.307 0.000 1.010 389 T CB -0.024 67.965 68.868 -1.465 0.000 0.984 389 T HN 0.258 nan 8.240 nan 0.000 0.537 390 R N 0.374 120.719 120.500 -0.259 0.000 2.300 390 R HA 0.256 4.602 4.340 0.010 0.000 0.199 390 R C 0.600 176.916 176.300 0.026 0.000 0.920 390 R CA 0.181 56.227 56.100 -0.090 0.000 1.046 390 R CB 0.437 30.691 30.300 -0.075 0.000 0.984 390 R HN 0.322 nan 8.270 nan 0.000 0.493 391 T N -0.921 113.690 114.554 0.095 0.000 2.933 391 T HA 0.114 4.470 4.350 0.010 0.000 0.305 391 T C 1.092 175.968 174.700 0.292 0.000 1.092 391 T CA -0.592 61.603 62.100 0.158 0.000 1.008 391 T CB 1.752 70.677 68.868 0.095 0.000 1.102 391 T HN 0.183 nan 8.240 nan 0.000 0.469 392 T N 0.880 115.562 114.554 0.214 0.000 2.777 392 T HA -0.088 4.268 4.350 0.010 0.000 0.266 392 T C 2.168 176.928 174.700 0.101 0.000 1.040 392 T CA 1.647 63.838 62.100 0.151 0.000 1.141 392 T CB -0.783 68.124 68.868 0.064 0.000 0.868 392 T HN 0.718 nan 8.240 nan 0.000 0.444 393 S N 2.337 118.091 115.700 0.090 0.000 2.528 393 S HA -0.112 4.364 4.470 0.010 0.000 0.244 393 S C 2.115 176.764 174.600 0.082 0.000 0.982 393 S CA 1.026 59.265 58.200 0.065 0.000 0.953 393 S CB -1.021 62.210 63.200 0.052 0.000 0.754 393 S HN 0.792 nan 8.310 nan 0.000 0.529 394 S N 1.603 117.387 115.700 0.141 0.000 2.527 394 S HA 0.226 4.702 4.470 0.010 0.000 0.222 394 S C 0.970 175.656 174.600 0.144 0.000 0.985 394 S CA 0.252 58.544 58.200 0.153 0.000 0.921 394 S CB -0.942 62.385 63.200 0.211 0.000 0.772 394 S HN 0.632 nan 8.310 nan 0.000 0.529 395 L N 0.963 122.243 121.223 0.095 0.000 3.717 395 L HA -0.168 4.178 4.340 0.010 0.000 0.414 395 L C 1.583 178.474 176.870 0.035 0.000 1.228 395 L CA 0.676 55.514 54.840 -0.002 0.000 0.918 395 L CB -2.445 39.617 42.059 0.006 0.000 1.865 395 L HN 0.742 nan 8.230 nan 0.000 0.922 396 W N -0.101 121.211 121.300 0.019 0.000 2.374 396 W HA -0.128 4.538 4.660 0.010 0.000 0.288 396 W C 1.712 178.249 176.519 0.029 0.000 1.218 396 W CA 1.230 58.590 57.345 0.024 0.000 1.245 396 W CB -0.657 28.814 29.460 0.018 0.000 1.126 396 W HN 0.279 nan 8.180 nan 0.000 0.545 397 K N 1.068 121.084 120.400 -0.640 0.000 2.057 397 K HA -0.145 4.181 4.320 0.010 0.000 0.206 397 K C 1.546 178.018 176.600 -0.213 0.000 1.050 397 K CA 2.263 58.195 56.287 -0.593 0.000 0.935 397 K CB -0.328 31.653 32.500 -0.866 0.000 0.715 397 K HN 0.020 nan 8.250 nan 0.000 0.439 398 D N 0.733 121.027 120.400 -0.177 0.000 2.097 398 D HA -0.137 4.509 4.640 0.010 0.000 0.195 398 D C 1.670 177.965 176.300 -0.010 0.000 0.989 398 D CA 1.271 55.221 54.000 -0.083 0.000 0.827 398 D CB 0.042 40.801 40.800 -0.068 0.000 0.966 398 D HN 0.113 nan 8.370 nan 0.000 0.456 399 K N 0.468 120.889 120.400 0.035 0.000 2.026 399 K HA -0.035 4.291 4.320 0.010 0.000 0.208 399 K C 2.223 178.890 176.600 0.112 0.000 1.048 399 K CA 1.183 57.520 56.287 0.083 0.000 0.929 399 K CB -0.176 32.395 32.500 0.117 0.000 0.713 399 K HN 0.088 nan 8.250 nan 0.000 0.439 400 A N 1.509 124.416 122.820 0.146 0.000 1.898 400 A HA -0.094 4.232 4.320 0.010 0.000 0.216 400 A C 2.375 180.042 177.584 0.138 0.000 1.181 400 A CA 1.753 53.904 52.037 0.190 0.000 0.620 400 A CB -0.679 18.471 19.000 0.251 0.000 0.819 400 A HN 0.335 nan 8.150 nan 0.000 0.442 401 A N -0.449 122.410 122.820 0.064 0.000 1.908 401 A HA -0.036 4.290 4.320 0.010 0.000 0.218 401 A C 2.226 179.820 177.584 0.016 0.000 1.181 401 A CA 1.875 53.922 52.037 0.018 0.000 0.627 401 A CB -0.955 18.017 19.000 -0.046 0.000 0.818 401 A HN 0.400 nan 8.150 nan 0.000 0.445 402 V N 0.275 120.207 119.914 0.029 0.000 2.295 402 V HA -0.214 3.912 4.120 0.010 0.000 0.246 402 V C 2.567 178.690 176.094 0.048 0.000 1.049 402 V CA 2.146 64.466 62.300 0.034 0.000 1.024 402 V CB -0.728 31.124 31.823 0.049 0.000 0.648 402 V HN 0.509 nan 8.190 nan 0.000 0.447 403 E N -0.011 120.245 120.200 0.093 0.000 2.106 403 E HA -0.123 4.233 4.350 0.010 0.000 0.192 403 E C 2.133 178.755 176.600 0.038 0.000 0.984 403 E CA 1.193 57.673 56.400 0.134 0.000 0.806 403 E CB -0.327 29.469 29.700 0.161 0.000 0.750 403 E HN 0.584 nan 8.360 nan 0.000 0.458 404 I N 1.538 122.161 120.570 0.087 0.000 2.226 404 I HA -0.255 3.921 4.170 0.010 0.000 0.245 404 I C 2.140 178.229 176.117 -0.047 0.000 1.100 404 I CA 0.842 62.193 61.300 0.085 0.000 1.374 404 I CB -0.295 37.817 38.000 0.186 0.000 1.057 404 I HN 0.076 nan 8.210 nan 0.000 0.413 405 N N 0.682 119.351 118.700 -0.052 0.000 2.188 405 N HA -0.161 4.585 4.740 0.010 0.000 0.184 405 N C 1.912 177.365 175.510 -0.095 0.000 1.018 405 N CA 1.161 54.160 53.050 -0.085 0.000 0.858 405 N CB -0.124 38.320 38.487 -0.071 0.000 0.989 405 N HN 0.206 nan 8.380 nan 0.000 0.426 406 L N 1.544 122.702 121.223 -0.108 0.000 2.056 406 L HA -0.021 4.325 4.340 0.010 0.000 0.207 406 L C 2.243 178.956 176.870 -0.262 0.000 1.078 406 L CA 1.366 56.103 54.840 -0.172 0.000 0.749 406 L CB -0.780 41.146 42.059 -0.221 0.000 0.901 406 L HN 0.046 nan 8.230 nan 0.000 0.433 407 A N -1.102 121.498 122.820 -0.367 0.000 1.908 407 A HA -0.168 4.158 4.320 0.010 0.000 0.218 407 A C 2.269 179.773 177.584 -0.133 0.000 1.181 407 A CA 2.086 53.871 52.037 -0.419 0.000 0.627 407 A CB -1.129 17.346 19.000 -0.875 0.000 0.818 407 A HN 0.303 nan 8.150 nan 0.000 0.445 408 V N -0.006 119.848 119.914 -0.101 0.000 2.295 408 V HA -0.275 3.851 4.120 0.010 0.000 0.246 408 V C 2.588 178.679 176.094 -0.005 0.000 1.049 408 V CA 2.065 64.345 62.300 -0.034 0.000 1.024 408 V CB -0.791 30.926 31.823 -0.176 0.000 0.648 408 V HN 0.575 nan 8.190 nan 0.000 0.447 409 L N -0.572 120.614 121.223 -0.062 0.000 2.017 409 L HA -0.234 4.112 4.340 0.010 0.000 0.208 409 L C 2.618 179.511 176.870 0.039 0.000 1.073 409 L CA 2.204 57.027 54.840 -0.028 0.000 0.745 409 L CB -0.809 41.230 42.059 -0.033 0.000 0.894 409 L HN 0.488 nan 8.230 nan 0.000 0.432 410 H N -0.370 118.651 119.070 -0.080 0.000 2.321 410 H HA -0.147 4.416 4.556 0.011 0.000 0.300 410 H C 2.343 177.659 175.328 -0.020 0.000 1.087 410 H CA 2.027 58.023 56.048 -0.087 0.000 1.319 410 H CB 0.006 29.651 29.762 -0.195 0.000 1.379 410 H HN 0.153 nan 8.280 nan 0.000 0.501 411 S N -0.449 115.204 115.700 -0.077 0.000 2.368 411 S HA -0.116 4.360 4.470 0.010 0.000 0.225 411 S C 2.023 176.603 174.600 -0.032 0.000 1.030 411 S CA 1.269 59.416 58.200 -0.089 0.000 0.999 411 S CB -0.513 62.727 63.200 0.066 0.000 0.844 411 S HN 0.385 nan 8.310 nan 0.000 0.459 412 F N 1.944 121.833 119.950 -0.102 0.000 2.134 412 F HA -0.143 4.389 4.527 0.009 0.000 0.299 412 F C 2.816 178.562 175.800 -0.089 0.000 1.097 412 F CA 1.135 59.098 58.000 -0.061 0.000 1.264 412 F CB -0.315 38.673 39.000 -0.021 0.000 1.001 412 F HN 0.203 nan 8.300 nan 0.000 0.479 413 Q N 0.133 119.974 119.800 0.070 0.000 2.050 413 Q HA -0.232 4.114 4.340 0.010 0.000 0.202 413 Q C 2.370 178.314 176.000 -0.094 0.000 0.980 413 Q CA 1.529 57.320 55.803 -0.021 0.000 0.840 413 Q CB -0.425 28.290 28.738 -0.038 0.000 0.898 413 Q HN 0.478 nan 8.270 nan 0.000 0.424 414 L N 0.167 121.274 121.223 -0.194 0.000 2.012 414 L HA -0.194 4.153 4.340 0.010 0.000 0.210 414 L C 2.031 178.818 176.870 -0.139 0.000 1.073 414 L CA 1.339 56.051 54.840 -0.214 0.000 0.748 414 L CB -0.341 41.510 42.059 -0.347 0.000 0.891 414 L HN 0.224 nan 8.230 nan 0.000 0.431 415 A N -1.088 121.646 122.820 -0.142 0.000 2.235 415 A HA -0.077 4.249 4.320 0.010 0.000 0.208 415 A C 0.910 178.433 177.584 -0.102 0.000 1.172 415 A CA 0.208 52.165 52.037 -0.132 0.000 0.786 415 A CB -0.218 18.666 19.000 -0.193 0.000 0.804 415 A HN 0.501 nan 8.150 nan 0.000 0.479 416 K N -1.037 119.316 120.400 -0.078 0.000 3.150 416 K HA -0.131 4.195 4.320 0.010 0.000 0.267 416 K C -0.804 175.772 176.600 -0.041 0.000 1.028 416 K CA 0.770 57.025 56.287 -0.053 0.000 0.753 416 K CB -2.299 30.169 32.500 -0.053 0.000 1.288 416 K HN 0.272 nan 8.250 nan 0.000 0.473 417 V N 1.137 121.040 119.914 -0.019 0.000 2.417 417 V HA 0.146 4.272 4.120 0.010 0.000 0.291 417 V C 0.793 176.981 176.094 0.158 0.000 1.024 417 V CA -0.679 61.640 62.300 0.032 0.000 0.861 417 V CB 1.969 33.737 31.823 -0.091 0.000 0.985 417 V HN 0.252 nan 8.190 nan 0.000 0.436 418 T N 6.416 121.023 114.554 0.089 0.000 2.908 418 T HA 0.398 4.754 4.350 0.010 0.000 0.301 418 T C -0.246 174.536 174.700 0.136 0.000 1.019 418 T CA 0.914 63.001 62.100 -0.022 0.000 1.152 418 T CB 0.023 68.742 68.868 -0.248 0.000 0.966 418 T HN 0.584 nan 8.240 nan 0.000 0.540 419 I N 2.388 122.969 120.570 0.019 0.000 2.882 419 I HA 0.605 4.781 4.170 0.010 0.000 0.298 419 I C -1.684 174.453 176.117 0.034 0.000 1.462 419 I CA -0.947 60.395 61.300 0.070 0.000 1.000 419 I CB 1.907 39.862 38.000 -0.076 0.000 1.340 419 I HN 0.438 nan 8.210 nan 0.000 0.462 420 V N 5.317 125.308 119.914 0.129 0.000 2.577 420 V HA 0.468 4.594 4.120 0.010 0.000 0.303 420 V C -1.106 175.037 176.094 0.081 0.000 1.042 420 V CA -0.287 62.087 62.300 0.125 0.000 0.872 420 V CB 2.078 34.061 31.823 0.266 0.000 0.998 420 V HN 0.873 nan 8.190 nan 0.000 0.423 421 D N 4.371 124.794 120.400 0.039 0.000 2.360 421 D HA 0.128 4.774 4.640 0.010 0.000 0.242 421 D C 1.332 177.626 176.300 -0.010 0.000 1.184 421 D CA 0.296 54.305 54.000 0.015 0.000 0.930 421 D CB 0.449 41.228 40.800 -0.035 0.000 1.161 421 D HN 0.736 nan 8.370 nan 0.000 0.447 422 H N 0.089 119.078 119.070 -0.135 0.000 2.456 422 H HA -0.154 4.408 4.556 0.010 0.000 0.296 422 H C 0.985 176.202 175.328 -0.186 0.000 1.079 422 H CA 1.387 57.324 56.048 -0.186 0.000 1.322 422 H CB -0.574 29.023 29.762 -0.275 0.000 1.388 422 H HN 0.524 nan 8.280 nan 0.000 0.538 423 H N 1.248 120.107 119.070 -0.352 0.000 2.307 423 H HA 0.136 4.698 4.556 0.010 0.000 0.303 423 H C 2.579 177.880 175.328 -0.045 0.000 1.073 423 H CA 1.370 57.309 56.048 -0.183 0.000 1.338 423 H CB -0.437 29.187 29.762 -0.230 0.000 1.389 423 H HN 0.496 nan 8.280 nan 0.000 0.503 424 A N 1.481 124.350 122.820 0.081 0.000 1.908 424 A HA -0.137 4.189 4.320 0.010 0.000 0.218 424 A C 2.701 180.352 177.584 0.112 0.000 1.181 424 A CA 1.982 54.071 52.037 0.087 0.000 0.627 424 A CB -0.887 18.155 19.000 0.070 0.000 0.818 424 A HN 0.448 nan 8.150 nan 0.000 0.445 425 A N -0.276 122.609 122.820 0.108 0.000 1.877 425 A HA -0.121 4.205 4.320 0.010 0.000 0.216 425 A C 2.467 180.146 177.584 0.159 0.000 1.186 425 A CA 2.673 54.794 52.037 0.139 0.000 0.620 425 A CB -1.457 17.613 19.000 0.116 0.000 0.822 425 A HN 0.784 nan 8.150 nan 0.000 0.443 426 T N -2.683 111.949 114.554 0.129 0.000 2.821 426 T HA -0.072 4.284 4.350 0.010 0.000 0.267 426 T C 1.690 176.518 174.700 0.213 0.000 1.046 426 T CA 1.354 63.556 62.100 0.170 0.000 1.139 426 T CB -0.718 68.221 68.868 0.117 0.000 0.871 426 T HN 0.050 nan 8.240 nan 0.000 0.454 427 V N 2.772 122.786 119.914 0.166 0.000 2.343 427 V HA -0.174 3.952 4.120 0.010 0.000 0.247 427 V C 3.223 179.407 176.094 0.151 0.000 1.051 427 V CA 2.110 64.498 62.300 0.146 0.000 1.036 427 V CB -0.955 30.936 31.823 0.112 0.000 0.654 427 V HN 0.801 nan 8.190 nan 0.000 0.451 428 S N -0.230 115.569 115.700 0.165 0.000 2.399 428 S HA -0.229 4.247 4.470 0.010 0.000 0.231 428 S C 1.970 176.692 174.600 0.204 0.000 1.022 428 S CA 1.587 59.886 58.200 0.165 0.000 0.983 428 S CB -0.711 62.593 63.200 0.173 0.000 0.803 428 S HN 0.517 nan 8.310 nan 0.000 0.480 429 F N 1.923 121.936 119.950 0.104 0.000 2.234 429 F HA 0.155 4.687 4.527 0.009 0.000 0.299 429 F C 2.188 178.077 175.800 0.148 0.000 1.087 429 F CA 1.008 59.083 58.000 0.125 0.000 1.340 429 F CB -0.292 38.761 39.000 0.089 0.000 1.031 429 F HN 0.122 nan 8.300 nan 0.000 0.500 430 M N 0.019 119.691 119.600 0.121 0.000 2.175 430 M HA -0.151 4.335 4.480 0.010 0.000 0.264 430 M C 2.198 178.477 176.300 -0.036 0.000 1.063 430 M CA 1.404 56.723 55.300 0.033 0.000 1.119 430 M CB -1.169 31.496 32.600 0.108 0.000 1.377 430 M HN 0.057 nan 8.290 nan 0.000 0.415 431 K N -0.210 120.198 120.400 0.014 0.000 2.057 431 K HA -0.202 4.124 4.320 0.010 0.000 0.207 431 K C 1.981 178.563 176.600 -0.031 0.000 1.049 431 K CA 1.771 58.062 56.287 0.006 0.000 0.931 431 K CB -0.645 31.882 32.500 0.045 0.000 0.714 431 K HN 0.371 nan 8.250 nan 0.000 0.440 432 H N 0.076 119.057 119.070 -0.149 0.000 2.352 432 H HA -0.020 4.542 4.556 0.010 0.000 0.299 432 H C 1.712 176.873 175.328 -0.279 0.000 1.097 432 H CA 2.239 58.167 56.048 -0.199 0.000 1.311 432 H CB -0.209 29.398 29.762 -0.258 0.000 1.377 432 H HN 0.176 nan 8.280 nan 0.000 0.504 433 L N -0.245 120.687 121.223 -0.485 0.000 2.079 433 L HA -0.170 4.176 4.340 0.010 0.000 0.210 433 L C 2.244 178.955 176.870 -0.264 0.000 1.081 433 L CA 1.835 56.416 54.840 -0.431 0.000 0.752 433 L CB -0.430 41.438 42.059 -0.319 0.000 0.896 433 L HN 0.410 nan 8.230 nan 0.000 0.433 434 D N -0.267 120.025 120.400 -0.180 0.000 2.123 434 D HA -0.166 4.480 4.640 0.010 0.000 0.200 434 D C 1.916 178.144 176.300 -0.120 0.000 0.976 434 D CA 1.000 54.932 54.000 -0.113 0.000 0.831 434 D CB 0.131 40.893 40.800 -0.064 0.000 0.974 434 D HN 0.142 nan 8.370 nan 0.000 0.469 435 N N 0.614 119.230 118.700 -0.141 0.000 2.084 435 N HA -0.134 4.612 4.740 0.010 0.000 0.190 435 N C 1.604 177.027 175.510 -0.146 0.000 1.030 435 N CA 0.905 53.890 53.050 -0.108 0.000 0.849 435 N CB -0.322 38.125 38.487 -0.065 0.000 1.012 435 N HN 0.309 nan 8.380 nan 0.000 0.423 436 E N 0.661 120.693 120.200 -0.280 0.000 2.150 436 E HA -0.164 4.192 4.350 0.010 0.000 0.193 436 E C 1.872 178.373 176.600 -0.164 0.000 0.985 436 E CA 0.580 56.819 56.400 -0.268 0.000 0.814 436 E CB -0.111 29.322 29.700 -0.445 0.000 0.752 436 E HN 0.343 nan 8.360 nan 0.000 0.466 437 Q N 1.453 121.166 119.800 -0.144 0.000 2.084 437 Q HA -0.121 4.225 4.340 0.010 0.000 0.202 437 Q C 1.782 177.737 176.000 -0.075 0.000 0.978 437 Q CA 1.689 57.437 55.803 -0.092 0.000 0.844 437 Q CB 0.039 28.732 28.738 -0.074 0.000 0.898 437 Q HN 0.139 nan 8.270 nan 0.000 0.426 438 K N -0.829 119.529 120.400 -0.070 0.000 2.062 438 K HA 0.033 4.359 4.320 0.010 0.000 0.205 438 K C 2.014 178.585 176.600 -0.049 0.000 1.051 438 K CA 0.999 57.254 56.287 -0.052 0.000 0.941 438 K CB -0.142 32.333 32.500 -0.042 0.000 0.719 438 K HN 0.230 nan 8.250 nan 0.000 0.440 439 A N 1.289 124.078 122.820 -0.052 0.000 1.930 439 A HA -0.052 4.274 4.320 0.010 0.000 0.215 439 A C 1.744 179.300 177.584 -0.046 0.000 1.176 439 A CA 1.071 53.087 52.037 -0.035 0.000 0.632 439 A CB 0.013 19.006 19.000 -0.011 0.000 0.819 439 A HN 0.162 nan 8.150 nan 0.000 0.445 440 R N -2.559 117.900 120.500 -0.068 0.000 2.541 440 R HA 0.267 4.613 4.340 0.010 0.000 0.332 440 R C 0.871 177.128 176.300 -0.070 0.000 0.951 440 R CA 0.515 56.576 56.100 -0.064 0.000 1.136 440 R CB 0.699 30.957 30.300 -0.070 0.000 1.449 440 R HN 0.672 nan 8.270 nan 0.000 0.531 441 G N 0.819 109.572 108.800 -0.079 0.000 2.143 441 G HA2 -0.204 3.763 3.960 0.010 0.000 0.249 441 G HA3 -0.204 3.763 3.960 0.010 0.000 0.249 441 G C 0.252 175.112 174.900 -0.067 0.000 0.981 441 G CA 0.061 45.104 45.100 -0.094 0.000 0.665 441 G HN 0.738 nan 8.290 nan 0.000 0.528 442 G N -2.372 106.403 108.800 -0.042 0.000 2.341 442 G HA2 0.546 4.512 3.960 0.010 0.000 0.293 442 G HA3 0.546 4.512 3.960 0.010 0.000 0.293 442 G C -0.890 174.014 174.900 0.007 0.000 1.298 442 G CA 0.476 45.583 45.100 0.012 0.000 0.868 442 G HN 1.950 nan 8.290 nan 0.000 0.540 443 C N 1.796 121.131 119.300 0.058 0.000 2.817 443 C HA 0.708 5.174 4.460 0.010 0.000 0.385 443 C C -2.615 172.350 174.990 -0.040 0.000 1.050 443 C CA -1.083 57.925 59.018 -0.017 0.000 1.245 443 C CB 1.363 29.035 27.740 -0.114 0.000 1.706 443 C HN 0.711 nan 8.230 nan 0.000 0.488 444 P HA 0.418 nan 4.420 nan 0.000 0.271 444 P C -0.670 176.512 177.300 -0.195 0.000 1.233 444 P CA 0.536 63.237 63.100 -0.666 0.000 0.764 444 P CB 1.114 32.135 31.700 -1.132 0.000 0.825 445 A N 2.858 125.640 122.820 -0.063 0.000 2.455 445 A HA 0.403 4.729 4.320 0.010 0.000 0.300 445 A C -0.910 176.722 177.584 0.080 0.000 1.040 445 A CA -0.580 51.508 52.037 0.085 0.000 0.697 445 A CB 1.279 20.454 19.000 0.291 0.000 1.265 445 A HN 0.447 nan 8.150 nan 0.000 0.407 446 D N 2.111 122.545 120.400 0.055 0.000 2.456 446 D HA 0.112 4.758 4.640 0.010 0.000 0.219 446 D C 0.841 177.268 176.300 0.211 0.000 1.126 446 D CA -0.446 53.623 54.000 0.114 0.000 0.890 446 D CB 0.319 41.123 40.800 0.007 0.000 1.025 446 D HN 0.608 nan 8.370 nan 0.000 0.511 447 W N 4.296 125.637 121.300 0.068 0.000 2.302 447 W HA -0.345 4.322 4.660 0.010 0.000 0.320 447 W C 2.030 178.584 176.519 0.059 0.000 1.241 447 W CA 2.672 60.043 57.345 0.044 0.000 1.264 447 W CB -0.124 29.338 29.460 0.003 0.000 1.154 447 W HN 0.555 nan 8.180 nan 0.000 0.483 448 A N -1.376 121.713 122.820 0.448 0.000 2.024 448 A HA -0.214 4.112 4.320 0.010 0.000 0.220 448 A C 1.477 179.090 177.584 0.048 0.000 1.164 448 A CA 1.712 53.908 52.037 0.266 0.000 0.643 448 A CB -1.281 17.919 19.000 0.334 0.000 0.806 448 A HN 0.561 nan 8.150 nan 0.000 0.451 449 W N -1.078 120.180 121.300 -0.070 0.000 2.872 449 W HA 0.219 4.885 4.660 0.010 0.000 0.266 449 W C 1.830 178.227 176.519 -0.203 0.000 1.276 449 W CA -0.151 57.133 57.345 -0.103 0.000 1.471 449 W CB 0.009 29.438 29.460 -0.053 0.000 1.071 449 W HN 0.136 nan 8.180 nan 0.000 0.619 450 I N -0.280 120.240 120.570 -0.083 0.000 2.333 450 I HA -0.055 4.121 4.170 0.010 0.000 0.246 450 I C 0.705 176.617 176.117 -0.342 0.000 1.106 450 I CA 0.748 61.871 61.300 -0.295 0.000 1.411 450 I CB -1.392 36.361 38.000 -0.412 0.000 1.082 450 I HN -0.423 nan 8.210 nan 0.000 0.420 451 V N 3.937 123.554 119.914 -0.494 0.000 2.585 451 V HA 0.058 4.184 4.120 0.010 0.000 0.296 451 V C -1.931 173.983 176.094 -0.299 0.000 1.035 451 V CA -0.937 61.075 62.300 -0.480 0.000 1.084 451 V CB 0.112 31.421 31.823 -0.856 0.000 0.953 451 V HN 0.131 nan 8.190 nan 0.000 0.483 452 P HA 0.135 nan 4.420 nan 0.000 0.269 452 P C -1.777 175.395 177.300 -0.213 0.000 1.215 452 P CA -1.177 61.803 63.100 -0.201 0.000 0.780 452 P CB 0.076 31.667 31.700 -0.182 0.000 0.898 453 P HA -0.044 nan 4.420 nan 0.000 0.225 453 P C 0.220 177.403 177.300 -0.195 0.000 1.148 453 P CA 1.267 64.245 63.100 -0.203 0.000 0.779 453 P CB 0.014 31.588 31.700 -0.210 0.000 0.780 454 I N -6.838 113.579 120.570 -0.255 0.000 2.828 454 I HA 0.465 4.641 4.170 0.010 0.000 0.302 454 I C -0.008 175.986 176.117 -0.205 0.000 1.101 454 I CA -1.228 59.935 61.300 -0.228 0.000 1.031 454 I CB 2.032 39.873 38.000 -0.266 0.000 1.231 454 I HN -0.398 nan 8.210 nan 0.000 0.427 455 S N 2.254 117.889 115.700 -0.109 0.000 3.533 455 S HA -0.204 4.272 4.470 0.010 0.000 0.347 455 S C 1.412 175.977 174.600 -0.059 0.000 1.101 455 S CA 0.850 59.029 58.200 -0.036 0.000 1.009 455 S CB -1.753 61.506 63.200 0.098 0.000 0.916 455 S HN 1.286 nan 8.310 nan 0.000 0.496 456 G N 2.271 111.005 108.800 -0.109 0.000 2.681 456 G HA2 -0.357 3.609 3.960 0.010 0.000 0.220 456 G HA3 -0.357 3.609 3.960 0.010 0.000 0.220 456 G C 1.395 176.146 174.900 -0.248 0.000 1.210 456 G CA 1.624 46.666 45.100 -0.098 0.000 0.783 456 G HN 1.334 nan 8.290 nan 0.000 0.609 457 S N 0.208 115.480 115.700 -0.712 0.000 2.607 457 S HA 0.233 4.709 4.470 0.010 0.000 0.224 457 S C 1.957 176.464 174.600 -0.155 0.000 0.969 457 S CA 0.398 58.054 58.200 -0.907 0.000 0.927 457 S CB -0.074 62.422 63.200 -1.173 0.000 0.772 457 S HN 0.325 nan 8.310 nan 0.000 0.533 458 L N 1.923 123.120 121.223 -0.044 0.000 2.558 458 L HA 0.152 4.498 4.340 0.010 0.000 0.225 458 L C 1.249 178.234 176.870 0.191 0.000 1.128 458 L CA 0.412 55.314 54.840 0.104 0.000 0.868 458 L CB -0.692 41.454 42.059 0.146 0.000 1.006 458 L HN 0.478 nan 8.230 nan 0.000 0.454 459 T N -4.279 110.374 114.554 0.165 0.000 2.945 459 T HA 0.317 4.673 4.350 0.010 0.000 0.286 459 T C -1.683 173.167 174.700 0.249 0.000 1.025 459 T CA -1.956 60.266 62.100 0.202 0.000 1.039 459 T CB 1.934 70.881 68.868 0.131 0.000 1.068 459 T HN -0.202 nan 8.240 nan 0.000 0.497 460 P HA -0.072 nan 4.420 nan 0.000 0.221 460 P C 1.811 179.298 177.300 0.311 0.000 1.150 460 P CA 1.029 64.317 63.100 0.312 0.000 0.800 460 P CB -0.347 31.491 31.700 0.230 0.000 0.787 461 V N -3.596 116.457 119.914 0.231 0.000 2.626 461 V HA -0.196 3.930 4.120 0.010 0.000 0.252 461 V C 2.392 178.591 176.094 0.175 0.000 1.067 461 V CA 1.197 63.616 62.300 0.198 0.000 1.081 461 V CB -2.281 29.599 31.823 0.095 0.000 0.686 461 V HN -0.118 nan 8.190 nan 0.000 0.468 462 F N 1.771 121.690 119.950 -0.051 0.000 2.154 462 F HA -0.191 4.342 4.527 0.010 0.000 0.301 462 F C 2.446 178.328 175.800 0.136 0.000 1.087 462 F CA 2.270 60.246 58.000 -0.041 0.000 1.274 462 F CB -0.232 38.606 39.000 -0.271 0.000 1.009 462 F HN 0.283 nan 8.300 nan 0.000 0.485 463 H N -1.009 118.386 119.070 0.542 0.000 2.539 463 H HA 0.110 4.672 4.556 0.010 0.000 0.267 463 H C 0.274 175.847 175.328 0.407 0.000 0.982 463 H CA 0.243 56.565 56.048 0.458 0.000 1.146 463 H CB -0.238 29.770 29.762 0.411 0.000 1.382 463 H HN 0.256 nan 8.280 nan 0.000 0.577 464 Q N 1.977 122.041 119.800 0.441 0.000 2.340 464 Q HA 0.163 4.509 4.340 0.010 0.000 0.259 464 Q C -0.552 175.667 176.000 0.366 0.000 0.964 464 Q CA -0.407 55.611 55.803 0.359 0.000 0.900 464 Q CB 0.754 29.675 28.738 0.304 0.000 1.228 464 Q HN 0.229 nan 8.270 nan 0.000 0.449 465 E N 3.331 123.697 120.200 0.276 0.000 2.398 465 E HA 0.265 4.621 4.350 0.010 0.000 0.263 465 E C -0.489 176.237 176.600 0.210 0.000 1.046 465 E CA 0.267 56.783 56.400 0.194 0.000 0.908 465 E CB 0.820 30.613 29.700 0.154 0.000 0.963 465 E HN 0.602 nan 8.360 nan 0.000 0.431 466 M N 1.333 121.057 119.600 0.206 0.000 2.501 466 M HA 0.353 4.839 4.480 0.010 0.000 0.293 466 M C -1.253 175.153 176.300 0.176 0.000 1.192 466 M CA -0.975 54.459 55.300 0.223 0.000 0.886 466 M CB 2.418 35.209 32.600 0.318 0.000 1.710 466 M HN 0.150 nan 8.290 nan 0.000 0.457 467 V N 1.658 121.686 119.914 0.190 0.000 2.398 467 V HA 0.402 4.528 4.120 0.010 0.000 0.286 467 V C -0.558 175.662 176.094 0.210 0.000 1.026 467 V CA -0.714 61.728 62.300 0.236 0.000 0.868 467 V CB 1.480 33.501 31.823 0.329 0.000 0.982 467 V HN 0.878 nan 8.190 nan 0.000 0.443 468 N N 3.691 122.503 118.700 0.187 0.000 2.400 468 N HA 0.697 5.443 4.740 0.010 0.000 0.288 468 N C -1.591 174.019 175.510 0.168 0.000 1.024 468 N CA -0.434 52.646 53.050 0.050 0.000 0.894 468 N CB 1.609 40.129 38.487 0.055 0.000 1.173 468 N HN 0.745 nan 8.380 nan 0.000 0.487 469 Y N 0.780 121.099 120.300 0.031 0.000 2.641 469 Y HA 0.468 5.024 4.550 0.010 0.000 0.333 469 Y C -1.451 174.451 175.900 0.004 0.000 1.174 469 Y CA -1.182 56.930 58.100 0.020 0.000 1.057 469 Y CB 0.686 39.163 38.460 0.029 0.000 1.322 469 Y HN 0.179 nan 8.280 nan 0.000 0.457 470 I N 3.686 124.352 120.570 0.161 0.000 2.315 470 I HA 0.405 4.581 4.170 0.010 0.000 0.291 470 I C -0.675 175.511 176.117 0.114 0.000 1.006 470 I CA -0.443 60.898 61.300 0.067 0.000 1.265 470 I CB 0.955 38.977 38.000 0.037 0.000 1.387 470 I HN 0.444 nan 8.210 nan 0.000 0.475 471 L N 5.059 126.319 121.223 0.061 0.000 2.333 471 L HA 0.564 4.910 4.340 0.010 0.000 0.269 471 L C -0.018 176.854 176.870 0.002 0.000 1.010 471 L CA -0.506 54.374 54.840 0.066 0.000 0.818 471 L CB 2.097 44.197 42.059 0.070 0.000 1.306 471 L HN 0.522 nan 8.230 nan 0.000 0.430 472 S N 1.543 117.253 115.700 0.016 0.000 2.536 472 S HA 0.633 5.109 4.470 0.010 0.000 0.298 472 S C -2.587 172.027 174.600 0.023 0.000 1.083 472 S CA -1.468 56.725 58.200 -0.010 0.000 0.995 472 S CB 1.894 65.102 63.200 0.012 0.000 1.058 472 S HN 0.228 nan 8.310 nan 0.000 0.488 473 P HA 0.350 nan 4.420 nan 0.000 0.267 473 P C -1.229 175.942 177.300 -0.215 0.000 1.201 473 P CA 0.132 63.134 63.100 -0.163 0.000 0.775 473 P CB 0.461 32.016 31.700 -0.243 0.000 0.854 474 A N 1.496 124.146 122.820 -0.283 0.000 2.610 474 A HA 0.696 5.022 4.320 0.010 0.000 0.291 474 A C -1.648 175.706 177.584 -0.383 0.000 1.086 474 A CA -0.503 51.366 52.037 -0.279 0.000 0.677 474 A CB 0.783 19.701 19.000 -0.136 0.000 1.278 474 A HN 0.333 nan 8.150 nan 0.000 0.414 475 F N 0.752 120.613 119.950 -0.149 0.000 2.421 475 F HA 0.715 5.247 4.527 0.009 0.000 0.337 475 F C 0.934 176.625 175.800 -0.181 0.000 1.105 475 F CA 0.019 57.931 58.000 -0.146 0.000 1.049 475 F CB 1.950 40.828 39.000 -0.204 0.000 1.139 475 F HN 0.567 nan 8.300 nan 0.000 0.479 476 R N 1.413 121.931 120.500 0.031 0.000 2.808 476 R HA 0.451 4.797 4.340 0.010 0.000 0.272 476 R C -1.681 174.585 176.300 -0.058 0.000 0.995 476 R CA -1.235 54.813 56.100 -0.087 0.000 0.917 476 R CB 1.637 31.921 30.300 -0.027 0.000 1.217 476 R HN 0.397 nan 8.270 nan 0.000 0.471 477 Y N 1.486 121.805 120.300 0.031 0.000 2.326 477 Y HA 0.152 4.708 4.550 0.010 0.000 0.333 477 Y C 0.573 176.470 175.900 -0.005 0.000 1.240 477 Y CA -0.076 58.033 58.100 0.015 0.000 1.365 477 Y CB 0.894 39.352 38.460 -0.003 0.000 1.289 477 Y HN 0.439 nan 8.280 nan 0.000 0.548 478 Q N 1.617 121.510 119.800 0.156 0.000 2.421 478 Q HA 0.638 4.984 4.340 0.010 0.000 0.280 478 Q C -3.127 172.842 176.000 -0.051 0.000 1.085 478 Q CA -2.504 53.321 55.803 0.036 0.000 0.807 478 Q CB 2.174 30.924 28.738 0.021 0.000 1.405 478 Q HN 0.269 nan 8.270 nan 0.000 0.419 479 P HA 0.042 nan 4.420 nan 0.000 0.269 479 P C -0.926 176.158 177.300 -0.360 0.000 1.215 479 P CA 0.009 62.983 63.100 -0.210 0.000 0.780 479 P CB 0.414 32.004 31.700 -0.183 0.000 0.898 480 D N 3.135 123.186 120.400 -0.582 0.000 2.424 480 D HA 0.006 4.652 4.640 0.010 0.000 0.244 480 D C -1.007 174.674 176.300 -1.033 0.000 1.134 480 D CA -0.941 52.415 54.000 -1.073 0.000 0.881 480 D CB 0.356 40.035 40.800 -1.867 0.000 1.191 480 D HN 0.302 nan 8.370 nan 0.000 0.445 481 P HA -0.089 nan 4.420 nan 0.000 0.222 481 P C 0.349 177.296 177.300 -0.589 0.000 1.147 481 P CA 0.785 63.472 63.100 -0.689 0.000 0.790 481 P CB 0.125 31.425 31.700 -0.666 0.000 0.780 482 W N 0.000 120.892 121.300 -0.680 0.000 2.388 482 W HA 0.000 4.666 4.660 0.009 0.000 0.303 482 W CA 0.000 57.108 57.345 -0.395 0.000 1.226 482 W CB 0.000 29.214 29.460 -0.411 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535