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 1d0o_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 3.964 3.960 0.006 0.000 0.244 67 G C 0.000 174.845 174.900 -0.091 0.000 0.946 67 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 68 P HA 0.246 nan 4.420 nan 0.000 0.265 68 P C -0.028 177.178 177.300 -0.157 0.000 1.187 68 P CA 0.022 62.970 63.100 -0.254 0.000 0.766 68 P CB 0.890 32.228 31.700 -0.604 0.000 0.820 69 K N 2.423 122.623 120.400 -0.334 0.000 2.836 69 K HA 0.080 4.403 4.320 0.006 0.000 0.236 69 K C -0.730 175.413 176.600 -0.762 0.000 1.015 69 K CA 0.139 56.118 56.287 -0.513 0.000 1.194 69 K CB -0.533 31.611 32.500 -0.594 0.000 1.002 69 K HN 0.378 nan 8.250 nan 0.000 0.479 70 F N -0.300 119.679 119.950 0.047 0.000 2.620 70 F HA 0.364 4.895 4.527 0.007 0.000 0.320 70 F C -2.132 173.775 175.800 0.178 0.000 1.069 70 F CA -2.933 55.120 58.000 0.088 0.000 0.953 70 F CB 0.913 39.961 39.000 0.081 0.000 1.322 70 F HN -0.070 nan 8.300 nan 0.000 0.479 71 P HA 0.026 nan 4.420 nan 0.000 0.260 71 P C -0.780 176.599 177.300 0.131 0.000 1.185 71 P CA 0.123 63.327 63.100 0.175 0.000 0.763 71 P CB 0.378 32.154 31.700 0.127 0.000 0.776 72 R N 3.166 123.674 120.500 0.013 0.000 2.265 72 R HA 0.410 4.754 4.340 0.006 0.000 0.314 72 R C -1.074 175.109 176.300 -0.195 0.000 1.053 72 R CA -0.476 55.443 56.100 -0.301 0.000 0.931 72 R CB 0.501 30.642 30.300 -0.265 0.000 1.024 72 R HN 0.215 nan 8.270 nan 0.000 0.457 73 V N 4.945 124.709 119.914 -0.251 0.000 2.495 73 V HA 0.379 4.502 4.120 0.006 0.000 0.298 73 V C -0.378 175.615 176.094 -0.168 0.000 1.031 73 V CA -0.752 61.476 62.300 -0.120 0.000 0.871 73 V CB 1.647 33.443 31.823 -0.045 0.000 0.988 73 V HN 0.724 nan 8.190 nan 0.000 0.432 74 K N 3.612 123.926 120.400 -0.143 0.000 2.318 74 K HA 0.448 4.771 4.320 0.006 0.000 0.249 74 K C -0.788 175.687 176.600 -0.209 0.000 0.942 74 K CA -0.725 55.392 56.287 -0.283 0.000 0.808 74 K CB 1.676 33.833 32.500 -0.572 0.000 1.189 74 K HN 0.719 nan 8.250 nan 0.000 0.428 75 N N 3.940 122.516 118.700 -0.207 0.000 2.469 75 N HA 0.104 4.848 4.740 0.006 0.000 0.253 75 N C -0.187 175.268 175.510 -0.092 0.000 0.970 75 N CA -0.356 52.685 53.050 -0.015 0.000 0.940 75 N CB 0.496 39.006 38.487 0.038 0.000 1.128 75 N HN 0.673 nan 8.380 nan 0.000 0.503 76 W N 2.186 123.568 121.300 0.137 0.000 2.519 76 W HA 0.038 4.702 4.660 0.006 0.000 0.266 76 W C 2.136 178.702 176.519 0.079 0.000 1.253 76 W CA 0.137 57.551 57.345 0.116 0.000 1.274 76 W CB 0.205 29.760 29.460 0.157 0.000 1.114 76 W HN 0.667 nan 8.180 nan 0.000 0.596 77 E N 0.679 121.033 120.200 0.257 0.000 2.046 77 E HA -0.160 4.194 4.350 0.006 0.000 0.190 77 E C 1.732 178.367 176.600 0.059 0.000 0.982 77 E CA 1.265 57.718 56.400 0.088 0.000 0.800 77 E CB -0.305 29.424 29.700 0.050 0.000 0.756 77 E HN 0.267 nan 8.360 nan 0.000 0.449 78 L N -0.865 120.390 121.223 0.054 0.000 2.554 78 L HA 0.322 4.665 4.340 0.006 0.000 0.225 78 L C 1.565 178.423 176.870 -0.021 0.000 1.104 78 L CA 0.330 55.180 54.840 0.016 0.000 0.866 78 L CB 0.412 42.482 42.059 0.019 0.000 1.047 78 L HN 0.424 nan 8.230 nan 0.000 0.468 79 G N 0.757 109.521 108.800 -0.060 0.000 2.155 79 G HA2 -0.316 3.648 3.960 0.006 0.000 0.257 79 G HA3 -0.316 3.648 3.960 0.006 0.000 0.257 79 G C 0.373 175.181 174.900 -0.154 0.000 0.983 79 G CA 0.496 45.512 45.100 -0.139 0.000 0.676 79 G HN 0.476 nan 8.290 nan 0.000 0.528 80 S N -0.149 115.480 115.700 -0.118 0.000 2.584 80 S HA 0.786 5.260 4.470 0.006 0.000 0.273 80 S C 0.150 174.664 174.600 -0.144 0.000 1.311 80 S CA -0.783 57.357 58.200 -0.101 0.000 1.034 80 S CB 2.157 65.325 63.200 -0.054 0.000 0.939 80 S HN 0.377 nan 8.310 nan 0.000 0.513 81 I N 2.202 122.695 120.570 -0.128 0.000 2.569 81 I HA 0.600 4.774 4.170 0.006 0.000 0.296 81 I C 0.374 176.405 176.117 -0.143 0.000 1.028 81 I CA -0.205 60.987 61.300 -0.180 0.000 1.082 81 I CB 1.678 39.564 38.000 -0.191 0.000 1.264 81 I HN 1.067 nan 8.210 nan 0.000 0.429 82 T N 1.873 116.297 114.554 -0.215 0.000 2.864 82 T HA 0.701 5.055 4.350 0.006 0.000 0.299 82 T C -1.359 173.183 174.700 -0.265 0.000 1.166 82 T CA -0.698 61.331 62.100 -0.117 0.000 1.007 82 T CB 1.925 70.763 68.868 -0.050 0.000 1.219 82 T HN 0.258 nan 8.240 nan 0.000 0.506 83 Y N 0.022 120.318 120.300 -0.006 0.000 2.446 83 Y HA 0.526 5.080 4.550 0.006 0.000 0.345 83 Y C -0.111 175.769 175.900 -0.033 0.000 0.984 83 Y CA -0.964 57.146 58.100 0.017 0.000 1.058 83 Y CB 1.909 40.401 38.460 0.053 0.000 1.220 83 Y HN 0.723 nan 8.280 nan 0.000 0.455 84 D N 1.790 122.270 120.400 0.132 0.000 2.396 84 D HA 0.103 4.747 4.640 0.006 0.000 0.225 84 D C 0.618 176.853 176.300 -0.109 0.000 1.121 84 D CA 0.074 54.087 54.000 0.023 0.000 0.853 84 D CB 1.298 42.140 40.800 0.070 0.000 1.043 84 D HN 0.825 nan 8.370 nan 0.000 0.500 85 T N 1.043 115.396 114.554 -0.335 0.000 3.037 85 T HA -0.066 4.288 4.350 0.006 0.000 0.251 85 T C 1.893 176.386 174.700 -0.346 0.000 1.079 85 T CA -0.166 61.511 62.100 -0.705 0.000 1.067 85 T CB 0.111 68.423 68.868 -0.928 0.000 0.948 85 T HN 0.253 nan 8.240 nan 0.000 0.496 86 L N 2.459 123.553 121.223 -0.213 0.000 2.131 86 L HA 0.017 4.361 4.340 0.006 0.000 0.210 86 L C 2.659 179.380 176.870 -0.250 0.000 1.092 86 L CA 1.309 56.071 54.840 -0.130 0.000 0.759 86 L CB -0.945 41.123 42.059 0.016 0.000 0.903 86 L HN 0.677 nan 8.230 nan 0.000 0.435 87 C N -1.753 117.201 119.300 -0.577 0.000 2.419 87 C HA 0.050 4.514 4.460 0.006 0.000 0.283 87 C C 2.790 177.566 174.990 -0.355 0.000 1.373 87 C CA 0.133 58.560 59.018 -0.984 0.000 1.781 87 C CB -2.238 24.894 27.740 -1.014 0.000 1.886 87 C HN 0.571 nan 8.230 nan 0.000 0.520 88 A N 0.443 123.172 122.820 -0.151 0.000 2.067 88 A HA -0.133 4.191 4.320 0.006 0.000 0.219 88 A C 2.202 179.775 177.584 -0.018 0.000 1.158 88 A CA 1.416 53.447 52.037 -0.010 0.000 0.661 88 A CB -0.600 18.468 19.000 0.113 0.000 0.801 88 A HN 0.797 nan 8.150 nan 0.000 0.452 89 Q N -0.154 119.621 119.800 -0.040 0.000 2.403 89 Q HA 0.109 4.453 4.340 0.006 0.000 0.203 89 Q C 0.431 176.448 176.000 0.029 0.000 0.932 89 Q CA 0.004 55.810 55.803 0.005 0.000 0.945 89 Q CB 0.155 28.901 28.738 0.014 0.000 1.045 89 Q HN 0.470 nan 8.270 nan 0.000 0.511 90 S N 0.586 116.294 115.700 0.014 0.000 2.481 90 S HA 0.041 4.515 4.470 0.006 0.000 0.276 90 S C 0.704 175.336 174.600 0.052 0.000 1.247 90 S CA -0.288 57.952 58.200 0.068 0.000 1.053 90 S CB 0.591 63.844 63.200 0.089 0.000 0.925 90 S HN 0.178 nan 8.310 nan 0.000 0.491 91 Q N 2.804 122.640 119.800 0.059 0.000 2.282 91 Q HA 0.219 4.562 4.340 0.006 0.000 0.206 91 Q C -0.022 176.006 176.000 0.047 0.000 0.878 91 Q CA 0.201 56.034 55.803 0.049 0.000 0.944 91 Q CB 0.559 29.328 28.738 0.050 0.000 1.100 91 Q HN 0.818 nan 8.270 nan 0.000 0.509 92 Q N 0.814 120.646 119.800 0.055 0.000 2.356 92 Q HA 0.230 4.574 4.340 0.006 0.000 0.270 92 Q C -1.326 174.708 176.000 0.057 0.000 1.058 92 Q CA -0.559 55.273 55.803 0.049 0.000 0.802 92 Q CB 1.524 30.288 28.738 0.043 0.000 1.303 92 Q HN -0.077 nan 8.270 nan 0.000 0.444 93 D N 2.361 122.789 120.400 0.047 0.000 2.302 93 D HA 0.323 4.967 4.640 0.006 0.000 0.248 93 D C 0.147 176.479 176.300 0.052 0.000 1.094 93 D CA 0.077 54.107 54.000 0.050 0.000 0.897 93 D CB 1.520 42.343 40.800 0.039 0.000 1.200 93 D HN 0.698 nan 8.370 nan 0.000 0.429 94 G N 0.861 109.697 108.800 0.061 0.000 2.531 94 G HA2 0.304 4.268 3.960 0.006 0.000 0.281 94 G HA3 0.304 4.268 3.960 0.006 0.000 0.281 94 G C -1.577 173.353 174.900 0.050 0.000 1.382 94 G CA -0.691 44.444 45.100 0.059 0.000 1.045 94 G HN 0.295 nan 8.290 nan 0.000 0.533 95 P HA 0.113 nan 4.420 nan 0.000 0.235 95 P C 0.392 177.717 177.300 0.041 0.000 1.177 95 P CA 0.059 63.185 63.100 0.044 0.000 0.785 95 P CB 0.127 31.855 31.700 0.047 0.000 0.885 96 C N 1.055 120.382 119.300 0.046 0.000 2.604 96 C HA 0.546 5.010 4.460 0.006 0.000 0.396 96 C C 1.097 176.108 174.990 0.034 0.000 1.282 96 C CA 0.134 59.176 59.018 0.041 0.000 2.292 96 C CB 0.495 28.263 27.740 0.047 0.000 2.633 96 C HN 0.354 nan 8.230 nan 0.000 0.620 97 T N -1.447 113.123 114.554 0.028 0.000 2.883 97 T HA 0.406 4.760 4.350 0.006 0.000 0.301 97 T C -2.428 172.283 174.700 0.019 0.000 1.158 97 T CA -1.203 60.910 62.100 0.022 0.000 1.007 97 T CB 1.419 70.298 68.868 0.018 0.000 1.186 97 T HN 0.259 nan 8.240 nan 0.000 0.499 98 P HA -0.052 nan 4.420 nan 0.000 0.218 98 P C 1.514 178.820 177.300 0.010 0.000 1.146 98 P CA 0.698 63.805 63.100 0.012 0.000 0.813 98 P CB 0.136 31.841 31.700 0.009 0.000 0.778 99 R N -0.117 120.389 120.500 0.010 0.000 2.075 99 R HA -0.071 4.273 4.340 0.006 0.000 0.232 99 R C 0.651 176.956 176.300 0.009 0.000 1.126 99 R CA 1.036 57.141 56.100 0.008 0.000 0.963 99 R CB 0.142 30.447 30.300 0.008 0.000 0.858 99 R HN 0.081 nan 8.270 nan 0.000 0.435 100 R N -0.266 120.241 120.500 0.012 0.000 2.643 100 R HA 0.171 4.515 4.340 0.006 0.000 0.269 100 R C -1.828 174.483 176.300 0.017 0.000 1.037 100 R CA -0.737 55.370 56.100 0.012 0.000 0.894 100 R CB 0.241 30.548 30.300 0.011 0.000 1.238 100 R HN 0.098 nan 8.270 nan 0.000 0.459 101 C N 3.751 123.061 119.300 0.017 0.000 2.285 101 C HA 0.563 5.027 4.460 0.006 0.000 0.335 101 C C 0.722 175.731 174.990 0.031 0.000 1.267 101 C CA -0.656 58.377 59.018 0.024 0.000 1.762 101 C CB -0.883 26.867 27.740 0.017 0.000 2.365 101 C HN 0.748 nan 8.230 nan 0.000 0.527 102 L N 5.819 127.067 121.223 0.042 0.000 3.110 102 L HA 0.285 4.629 4.340 0.006 0.000 0.266 102 L C 1.971 178.884 176.870 0.072 0.000 1.257 102 L CA 0.169 55.038 54.840 0.050 0.000 1.038 102 L CB -0.037 42.048 42.059 0.044 0.000 1.395 102 L HN 1.015 nan 8.230 nan 0.000 0.566 103 G N 0.155 109.001 108.800 0.078 0.000 2.509 103 G HA2 -0.235 3.729 3.960 0.006 0.000 0.218 103 G HA3 -0.235 3.729 3.960 0.006 0.000 0.218 103 G C 1.606 176.601 174.900 0.157 0.000 1.124 103 G CA 1.092 46.258 45.100 0.110 0.000 0.776 103 G HN 0.508 nan 8.290 nan 0.000 0.547 104 S N -0.464 115.316 115.700 0.133 0.000 2.527 104 S HA 0.255 4.729 4.470 0.006 0.000 0.222 104 S C 0.785 175.492 174.600 0.177 0.000 0.985 104 S CA -0.387 57.907 58.200 0.157 0.000 0.921 104 S CB -0.077 63.179 63.200 0.092 0.000 0.772 104 S HN -0.016 nan 8.310 nan 0.000 0.529 105 L N 2.502 123.813 121.223 0.146 0.000 2.455 105 L HA 0.198 4.541 4.340 0.006 0.000 0.272 105 L C 1.408 178.398 176.870 0.199 0.000 1.174 105 L CA 0.224 55.144 54.840 0.133 0.000 0.869 105 L CB 0.620 42.729 42.059 0.083 0.000 1.130 105 L HN -0.002 nan 8.230 nan 0.000 0.474 106 V N 3.938 123.982 119.914 0.217 0.000 2.270 106 V HA -0.132 3.992 4.120 0.006 0.000 0.245 106 V C 0.996 177.145 176.094 0.092 0.000 1.043 106 V CA 1.244 63.724 62.300 0.301 0.000 1.014 106 V CB -0.302 31.707 31.823 0.309 0.000 0.645 106 V HN 0.511 nan 8.190 nan 0.000 0.447 107 L N 3.099 124.313 121.223 -0.014 0.000 2.435 107 L HA 0.378 4.722 4.340 0.006 0.000 0.253 107 L C -2.322 174.526 176.870 -0.037 0.000 1.087 107 L CA -1.229 53.532 54.840 -0.132 0.000 0.950 107 L CB 0.870 42.780 42.059 -0.249 0.000 1.304 107 L HN 0.260 nan 8.230 nan 0.000 0.453 108 P HA 0.219 nan 4.420 nan 0.000 0.282 108 P C -0.449 176.868 177.300 0.028 0.000 1.249 108 P CA -0.704 62.414 63.100 0.030 0.000 0.806 108 P CB 1.147 32.878 31.700 0.051 0.000 0.984 109 R N 2.937 123.448 120.500 0.018 0.000 4.576 109 R HA 0.099 4.443 4.340 0.006 0.000 0.185 109 R C 0.656 176.972 176.300 0.027 0.000 1.837 109 R CA 0.080 56.190 56.100 0.017 0.000 1.520 109 R CB -0.300 30.004 30.300 0.006 0.000 1.403 109 R HN 0.439 nan 8.270 nan 0.000 0.831 110 K N -0.132 120.293 120.400 0.042 0.000 2.448 110 K HA 0.165 4.489 4.320 0.006 0.000 0.220 110 K C 1.701 178.327 176.600 0.044 0.000 1.259 110 K CA 0.104 56.416 56.287 0.041 0.000 0.810 110 K CB -0.335 32.192 32.500 0.045 0.000 1.540 110 K HN 0.061 nan 8.250 nan 0.000 0.434 111 L N 2.257 123.516 121.223 0.059 0.000 2.465 111 L HA 0.025 4.369 4.340 0.006 0.000 0.224 111 L C 0.892 177.802 176.870 0.067 0.000 1.145 111 L CA 0.473 55.344 54.840 0.051 0.000 0.834 111 L CB -0.553 41.529 42.059 0.040 0.000 0.944 111 L HN 0.171 nan 8.230 nan 0.000 0.451 112 Q N 1.004 120.853 119.800 0.081 0.000 2.283 112 Q HA 0.002 4.346 4.340 0.006 0.000 0.301 112 Q C -0.024 175.997 176.000 0.035 0.000 1.063 112 Q CA 0.667 56.511 55.803 0.068 0.000 0.952 112 Q CB 0.370 29.130 28.738 0.038 0.000 1.166 112 Q HN 0.281 nan 8.270 nan 0.000 0.381 113 T N 1.949 116.519 114.554 0.026 0.000 3.150 113 T HA 0.458 4.811 4.350 0.006 0.000 0.383 113 T C -0.386 174.308 174.700 -0.010 0.000 1.313 113 T CA -0.950 61.154 62.100 0.007 0.000 1.235 113 T CB 0.579 69.452 68.868 0.008 0.000 1.088 113 T HN 0.498 nan 8.240 nan 0.000 0.556 114 R N 3.438 123.928 120.500 -0.016 0.000 2.351 114 R HA 0.327 4.671 4.340 0.006 0.000 0.318 114 R C -2.377 173.907 176.300 -0.027 0.000 1.055 114 R CA -1.544 54.539 56.100 -0.029 0.000 0.968 114 R CB -0.463 29.821 30.300 -0.026 0.000 0.974 114 R HN 0.347 nan 8.270 nan 0.000 0.439 115 P HA -0.108 nan 4.420 nan 0.000 0.245 115 P C -1.024 176.263 177.300 -0.021 0.000 1.123 115 P CA 0.813 63.896 63.100 -0.029 0.000 0.853 115 P CB 0.181 31.860 31.700 -0.036 0.000 0.786 116 S N 5.820 121.508 115.700 -0.018 0.000 2.465 116 S HA 0.079 4.553 4.470 0.006 0.000 0.280 116 S C -0.860 173.732 174.600 -0.012 0.000 1.232 116 S CA -0.742 57.450 58.200 -0.014 0.000 1.066 116 S CB 0.477 63.669 63.200 -0.014 0.000 0.929 116 S HN 0.384 nan 8.310 nan 0.000 0.494 117 P HA -0.085 nan 4.420 nan 0.000 0.216 117 P C 0.853 178.150 177.300 -0.003 0.000 1.154 117 P CA 1.079 64.177 63.100 -0.005 0.000 0.865 117 P CB 0.084 31.782 31.700 -0.002 0.000 0.789 118 G N -1.979 106.819 108.800 -0.003 0.000 3.016 118 G HA2 0.535 4.499 3.960 0.006 0.000 0.270 118 G HA3 0.535 4.499 3.960 0.006 0.000 0.270 118 G C -2.763 172.134 174.900 -0.006 0.000 1.352 118 G CA -1.332 43.767 45.100 -0.001 0.000 1.060 118 G HN -0.102 nan 8.290 nan 0.000 0.538 119 P HA 0.293 nan 4.420 nan 0.000 0.272 119 P C -2.367 174.933 177.300 -0.001 0.000 1.254 119 P CA -0.698 62.398 63.100 -0.006 0.000 0.795 119 P CB -0.037 31.666 31.700 0.004 0.000 1.022 120 P HA 0.305 nan 4.420 nan 0.000 0.276 120 P C -2.442 174.868 177.300 0.017 0.000 1.244 120 P CA -1.432 61.673 63.100 0.008 0.000 0.801 120 P CB -0.919 30.789 31.700 0.012 0.000 1.006 121 P HA -0.040 nan 4.420 nan 0.000 0.261 121 P C 0.618 177.933 177.300 0.025 0.000 1.183 121 P CA 0.476 63.587 63.100 0.018 0.000 0.761 121 P CB 0.199 31.909 31.700 0.016 0.000 0.785 122 A N 3.959 126.794 122.820 0.025 0.000 1.971 122 A HA -0.296 4.028 4.320 0.006 0.000 0.222 122 A C 2.110 179.710 177.584 0.027 0.000 1.182 122 A CA 2.192 54.247 52.037 0.030 0.000 0.649 122 A CB -0.910 18.105 19.000 0.025 0.000 0.818 122 A HN 0.527 nan 8.150 nan 0.000 0.458 123 E N -0.852 119.361 120.200 0.021 0.000 2.170 123 E HA -0.104 4.250 4.350 0.006 0.000 0.191 123 E C 2.139 178.753 176.600 0.023 0.000 0.981 123 E CA 1.251 57.662 56.400 0.018 0.000 0.830 123 E CB -0.279 29.429 29.700 0.014 0.000 0.775 123 E HN 0.738 nan 8.360 nan 0.000 0.470 124 Q N -0.333 119.482 119.800 0.025 0.000 2.083 124 Q HA -0.124 4.219 4.340 0.006 0.000 0.198 124 Q C 2.082 178.106 176.000 0.041 0.000 0.969 124 Q CA 1.238 57.059 55.803 0.029 0.000 0.838 124 Q CB -0.133 28.620 28.738 0.025 0.000 0.900 124 Q HN 0.346 nan 8.270 nan 0.000 0.436 125 L N 0.675 121.927 121.223 0.047 0.000 2.046 125 L HA -0.171 4.173 4.340 0.006 0.000 0.208 125 L C 2.080 178.995 176.870 0.076 0.000 1.077 125 L CA 1.488 56.373 54.840 0.076 0.000 0.747 125 L CB -0.817 41.294 42.059 0.086 0.000 0.896 125 L HN 0.330 nan 8.230 nan 0.000 0.432 126 L N -0.410 120.837 121.223 0.040 0.000 2.042 126 L HA -0.204 4.140 4.340 0.006 0.000 0.210 126 L C 2.718 179.595 176.870 0.012 0.000 1.076 126 L CA 2.222 57.064 54.840 0.004 0.000 0.749 126 L CB -1.045 41.013 42.059 -0.000 0.000 0.893 126 L HN 0.671 nan 8.230 nan 0.000 0.432 127 S N -1.227 114.491 115.700 0.030 0.000 2.383 127 S HA -0.226 4.248 4.470 0.006 0.000 0.227 127 S C 1.753 176.391 174.600 0.065 0.000 1.026 127 S CA 0.835 59.059 58.200 0.039 0.000 0.981 127 S CB -0.399 62.822 63.200 0.035 0.000 0.818 127 S HN 0.520 nan 8.310 nan 0.000 0.472 128 Q N 1.261 121.109 119.800 0.079 0.000 2.119 128 Q HA 0.077 4.421 4.340 0.006 0.000 0.201 128 Q C 2.609 178.712 176.000 0.172 0.000 0.972 128 Q CA 1.320 57.192 55.803 0.115 0.000 0.847 128 Q CB -0.525 28.276 28.738 0.105 0.000 0.903 128 Q HN 0.762 nan 8.270 nan 0.000 0.433 129 A N 1.393 124.297 122.820 0.140 0.000 1.898 129 A HA -0.182 4.142 4.320 0.006 0.000 0.216 129 A C 2.011 179.655 177.584 0.100 0.000 1.181 129 A CA 1.197 53.299 52.037 0.108 0.000 0.620 129 A CB -0.344 18.501 19.000 -0.260 0.000 0.819 129 A HN 0.198 nan 8.150 nan 0.000 0.442 130 R N -0.658 119.873 120.500 0.053 0.000 2.096 130 R HA -0.145 4.199 4.340 0.006 0.000 0.235 130 R C 1.960 178.328 176.300 0.114 0.000 1.127 130 R CA 1.546 57.684 56.100 0.063 0.000 0.968 130 R CB -0.437 29.884 30.300 0.035 0.000 0.861 130 R HN 0.685 nan 8.270 nan 0.000 0.440 131 D N 0.164 120.646 120.400 0.136 0.000 2.117 131 D HA -0.197 4.447 4.640 0.006 0.000 0.197 131 D C 1.604 178.028 176.300 0.207 0.000 0.987 131 D CA 0.936 55.026 54.000 0.151 0.000 0.829 131 D CB -0.034 40.853 40.800 0.144 0.000 0.961 131 D HN 0.098 nan 8.370 nan 0.000 0.460 132 F N 0.870 120.905 119.950 0.142 0.000 2.102 132 F HA -0.086 4.445 4.527 0.005 0.000 0.298 132 F C 1.926 177.859 175.800 0.222 0.000 1.105 132 F CA 0.995 59.115 58.000 0.199 0.000 1.239 132 F CB -0.326 38.803 39.000 0.214 0.000 0.991 132 F HN -0.015 nan 8.300 nan 0.000 0.474 133 I N 0.965 121.487 120.570 -0.080 0.000 2.208 133 I HA -0.309 3.865 4.170 0.006 0.000 0.245 133 I C 2.032 178.108 176.117 -0.069 0.000 1.097 133 I CA 1.201 62.441 61.300 -0.100 0.000 1.363 133 I CB -1.699 36.357 38.000 0.093 0.000 1.051 133 I HN 0.227 nan 8.210 nan 0.000 0.413 134 N N 0.913 119.622 118.700 0.014 0.000 2.084 134 N HA -0.194 4.550 4.740 0.006 0.000 0.190 134 N C 1.851 177.308 175.510 -0.087 0.000 1.030 134 N CA 1.120 54.177 53.050 0.013 0.000 0.849 134 N CB -0.388 38.173 38.487 0.123 0.000 1.012 134 N HN 0.492 nan 8.380 nan 0.000 0.423 135 Q N -0.618 119.153 119.800 -0.047 0.000 2.096 135 Q HA -0.190 4.153 4.340 0.006 0.000 0.204 135 Q C 1.774 177.587 176.000 -0.310 0.000 0.982 135 Q CA 1.307 57.101 55.803 -0.014 0.000 0.850 135 Q CB -0.226 28.657 28.738 0.242 0.000 0.901 135 Q HN 0.442 nan 8.270 nan 0.000 0.422 136 Y N -0.006 119.887 120.300 -0.679 0.000 2.089 136 Y HA -0.291 4.262 4.550 0.005 0.000 0.282 136 Y C 1.757 177.153 175.900 -0.840 0.000 1.139 136 Y CA 1.636 59.073 58.100 -1.106 0.000 1.123 136 Y CB -0.652 37.193 38.460 -1.025 0.000 0.980 136 Y HN 0.090 nan 8.280 nan 0.000 0.493 137 Y N -0.232 119.603 120.300 -0.774 0.000 2.333 137 Y HA -0.209 4.345 4.550 0.007 0.000 0.290 137 Y C 2.761 178.344 175.900 -0.528 0.000 1.144 137 Y CA 1.704 59.361 58.100 -0.737 0.000 1.228 137 Y CB -0.499 37.447 38.460 -0.855 0.000 0.985 137 Y HN 0.101 nan 8.280 nan 0.000 0.542 138 S N -0.830 114.682 115.700 -0.314 0.000 2.406 138 S HA -0.181 4.293 4.470 0.006 0.000 0.228 138 S C 2.242 176.697 174.600 -0.242 0.000 1.020 138 S CA 1.245 59.331 58.200 -0.191 0.000 0.965 138 S CB -0.478 62.661 63.200 -0.103 0.000 0.798 138 S HN 0.636 nan 8.310 nan 0.000 0.488 139 S N 2.347 117.806 115.700 -0.402 0.000 2.428 139 S HA -0.004 4.469 4.470 0.006 0.000 0.230 139 S C 1.678 176.065 174.600 -0.355 0.000 1.014 139 S CA 0.857 58.851 58.200 -0.343 0.000 0.957 139 S CB -0.739 62.172 63.200 -0.482 0.000 0.784 139 S HN 0.724 nan 8.310 nan 0.000 0.499 140 I N -2.992 117.260 120.570 -0.529 0.000 3.883 140 I HA 0.377 4.551 4.170 0.006 0.000 0.326 140 I C -0.227 175.739 176.117 -0.253 0.000 1.283 140 I CA -0.381 60.666 61.300 -0.421 0.000 1.161 140 I CB -0.122 37.507 38.000 -0.618 0.000 1.012 140 I HN -0.104 nan 8.210 nan 0.000 0.421 141 K N 2.075 122.351 120.400 -0.207 0.000 3.125 141 K HA -0.131 4.193 4.320 0.006 0.000 0.268 141 K C -0.154 176.409 176.600 -0.061 0.000 1.078 141 K CA 0.429 56.650 56.287 -0.109 0.000 0.775 141 K CB -1.611 30.841 32.500 -0.081 0.000 1.253 141 K HN 0.540 nan 8.250 nan 0.000 0.486 142 R N -0.492 119.987 120.500 -0.036 0.000 2.659 142 R HA 0.102 4.446 4.340 0.006 0.000 0.418 142 R C 0.065 176.447 176.300 0.136 0.000 1.076 142 R CA -0.312 55.829 56.100 0.068 0.000 1.093 142 R CB 0.866 31.256 30.300 0.151 0.000 1.400 142 R HN 0.130 nan 8.270 nan 0.000 0.583 143 S N -0.002 115.758 115.700 0.101 0.000 2.515 143 S HA 0.308 4.782 4.470 0.006 0.000 0.285 143 S C 1.314 176.018 174.600 0.174 0.000 1.265 143 S CA 1.447 59.778 58.200 0.217 0.000 1.079 143 S CB 0.266 63.530 63.200 0.107 0.000 0.877 143 S HN 0.748 nan 8.310 nan 0.000 0.493 144 G N 3.229 112.139 108.800 0.185 0.000 2.213 144 G HA2 -0.279 3.685 3.960 0.006 0.000 0.236 144 G HA3 -0.279 3.685 3.960 0.006 0.000 0.236 144 G C 0.330 175.173 174.900 -0.094 0.000 0.991 144 G CA 0.320 45.370 45.100 -0.084 0.000 0.629 144 G HN 1.468 nan 8.290 nan 0.000 0.517 145 S N 0.056 115.741 115.700 -0.026 0.000 2.606 145 S HA 0.390 4.864 4.470 0.006 0.000 0.257 145 S C 1.657 176.208 174.600 -0.082 0.000 1.327 145 S CA 0.790 58.970 58.200 -0.033 0.000 0.984 145 S CB 1.013 64.223 63.200 0.017 0.000 0.941 145 S HN 1.112 nan 8.310 nan 0.000 0.576 146 Q N 0.447 120.215 119.800 -0.055 0.000 2.172 146 Q HA 0.020 4.364 4.340 0.006 0.000 0.200 146 Q C 2.062 178.022 176.000 -0.066 0.000 0.964 146 Q CA 1.178 56.944 55.803 -0.062 0.000 0.855 146 Q CB -0.733 27.985 28.738 -0.033 0.000 0.918 146 Q HN 0.830 nan 8.270 nan 0.000 0.444 147 A N 1.137 123.936 122.820 -0.035 0.000 1.933 147 A HA -0.235 4.089 4.320 0.006 0.000 0.218 147 A C 1.956 179.410 177.584 -0.217 0.000 1.175 147 A CA 1.601 53.639 52.037 0.002 0.000 0.628 147 A CB -1.048 18.047 19.000 0.158 0.000 0.814 147 A HN 0.723 nan 8.150 nan 0.000 0.444 148 H N -0.846 117.807 119.070 -0.693 0.000 2.299 148 H HA -0.082 4.478 4.556 0.007 0.000 0.302 148 H C 1.914 176.906 175.328 -0.561 0.000 1.078 148 H CA 1.110 56.395 56.048 -1.272 0.000 1.323 148 H CB 0.116 29.310 29.762 -0.948 0.000 1.381 148 H HN 0.384 nan 8.280 nan 0.000 0.498 149 E N 0.714 120.743 120.200 -0.285 0.000 2.153 149 E HA -0.157 4.197 4.350 0.006 0.000 0.194 149 E C 2.044 178.572 176.600 -0.120 0.000 0.988 149 E CA 0.932 57.194 56.400 -0.230 0.000 0.811 149 E CB -0.062 29.519 29.700 -0.199 0.000 0.746 149 E HN 0.694 nan 8.360 nan 0.000 0.466 150 E N 0.371 120.517 120.200 -0.090 0.000 2.072 150 E HA -0.154 4.199 4.350 0.006 0.000 0.190 150 E C 2.168 178.765 176.600 -0.004 0.000 0.982 150 E CA 0.663 57.042 56.400 -0.034 0.000 0.803 150 E CB -0.014 29.680 29.700 -0.011 0.000 0.755 150 E HN -0.077 nan 8.360 nan 0.000 0.453 151 R N 1.159 121.662 120.500 0.006 0.000 2.092 151 R HA -0.065 4.279 4.340 0.006 0.000 0.231 151 R C 2.039 178.368 176.300 0.048 0.000 1.119 151 R CA 1.053 57.199 56.100 0.076 0.000 0.970 151 R CB -0.445 29.971 30.300 0.194 0.000 0.864 151 R HN 0.152 nan 8.270 nan 0.000 0.440 152 L N -0.051 121.181 121.223 0.015 0.000 2.093 152 L HA -0.172 4.172 4.340 0.006 0.000 0.208 152 L C 2.412 179.265 176.870 -0.029 0.000 1.085 152 L CA 1.532 56.368 54.840 -0.006 0.000 0.755 152 L CB -0.342 41.699 42.059 -0.029 0.000 0.904 152 L HN 0.315 nan 8.230 nan 0.000 0.435 153 Q N -0.518 119.265 119.800 -0.027 0.000 2.083 153 Q HA -0.235 4.109 4.340 0.006 0.000 0.198 153 Q C 2.103 178.100 176.000 -0.005 0.000 0.969 153 Q CA 1.356 57.146 55.803 -0.022 0.000 0.838 153 Q CB -0.056 28.669 28.738 -0.022 0.000 0.900 153 Q HN 0.432 nan 8.270 nan 0.000 0.436 154 E N 0.240 120.446 120.200 0.011 0.000 2.110 154 E HA -0.171 4.183 4.350 0.006 0.000 0.193 154 E C 1.830 178.451 176.600 0.036 0.000 0.988 154 E CA 1.045 57.466 56.400 0.035 0.000 0.804 154 E CB 0.237 29.972 29.700 0.059 0.000 0.745 154 E HN 0.153 nan 8.360 nan 0.000 0.458 155 V N 1.195 121.105 119.914 -0.008 0.000 2.379 155 V HA -0.197 3.927 4.120 0.006 0.000 0.245 155 V C 1.973 178.013 176.094 -0.089 0.000 1.044 155 V CA 1.921 64.162 62.300 -0.098 0.000 1.036 155 V CB -0.386 31.259 31.823 -0.296 0.000 0.664 155 V HN 0.258 nan 8.190 nan 0.000 0.453 156 E N 0.529 120.692 120.200 -0.062 0.000 2.106 156 E HA -0.137 4.217 4.350 0.006 0.000 0.192 156 E C 2.316 178.915 176.600 -0.000 0.000 0.984 156 E CA 1.226 57.604 56.400 -0.036 0.000 0.806 156 E CB -0.312 29.369 29.700 -0.031 0.000 0.750 156 E HN 0.589 nan 8.360 nan 0.000 0.458 157 A N 1.401 124.227 122.820 0.011 0.000 1.898 157 A HA -0.231 4.092 4.320 0.006 0.000 0.216 157 A C 2.058 179.670 177.584 0.048 0.000 1.181 157 A CA 1.458 53.510 52.037 0.026 0.000 0.620 157 A CB -0.359 18.657 19.000 0.026 0.000 0.819 157 A HN 0.205 nan 8.150 nan 0.000 0.442 158 E N -0.341 119.900 120.200 0.069 0.000 2.072 158 E HA -0.116 4.238 4.350 0.006 0.000 0.191 158 E C 1.827 178.498 176.600 0.118 0.000 0.985 158 E CA 1.310 57.778 56.400 0.113 0.000 0.801 158 E CB -0.055 29.751 29.700 0.177 0.000 0.750 158 E HN 0.317 nan 8.360 nan 0.000 0.452 159 V N 0.898 120.873 119.914 0.102 0.000 2.548 159 V HA -0.192 3.932 4.120 0.006 0.000 0.249 159 V C 2.278 178.410 176.094 0.063 0.000 1.055 159 V CA 1.539 63.897 62.300 0.097 0.000 1.065 159 V CB -0.380 31.488 31.823 0.075 0.000 0.681 159 V HN 0.385 nan 8.190 nan 0.000 0.462 160 A N 0.558 123.406 122.820 0.046 0.000 1.930 160 A HA -0.165 4.159 4.320 0.006 0.000 0.217 160 A C 2.486 180.093 177.584 0.038 0.000 1.175 160 A CA 2.176 54.234 52.037 0.035 0.000 0.627 160 A CB -0.443 18.572 19.000 0.025 0.000 0.815 160 A HN 0.667 nan 8.150 nan 0.000 0.443 161 S N -1.307 114.421 115.700 0.047 0.000 2.441 161 S HA -0.064 4.410 4.470 0.006 0.000 0.224 161 S C 1.743 176.374 174.600 0.052 0.000 1.043 161 S CA 1.362 59.589 58.200 0.045 0.000 0.948 161 S CB -0.721 62.506 63.200 0.044 0.000 0.810 161 S HN 0.704 nan 8.310 nan 0.000 0.504 162 T N -3.137 111.459 114.554 0.069 0.000 3.001 162 T HA 0.533 4.887 4.350 0.006 0.000 0.251 162 T C 1.658 176.400 174.700 0.071 0.000 1.040 162 T CA 0.730 62.876 62.100 0.076 0.000 0.985 162 T CB 0.094 69.026 68.868 0.107 0.000 1.011 162 T HN 1.145 nan 8.240 nan 0.000 0.509 163 G N 0.337 109.178 108.800 0.069 0.000 2.199 163 G HA2 -0.210 3.753 3.960 0.006 0.000 0.254 163 G HA3 -0.210 3.753 3.960 0.006 0.000 0.254 163 G C 0.216 175.156 174.900 0.067 0.000 0.982 163 G CA 0.577 45.712 45.100 0.058 0.000 0.632 163 G HN 1.018 nan 8.290 nan 0.000 0.529 164 T N -1.388 113.220 114.554 0.091 0.000 2.671 164 T HA 0.716 5.069 4.350 0.006 0.000 0.300 164 T C -1.078 173.737 174.700 0.191 0.000 1.238 164 T CA 0.376 62.527 62.100 0.085 0.000 1.020 164 T CB 1.517 70.353 68.868 -0.052 0.000 1.503 164 T HN 1.498 nan 8.240 nan 0.000 0.497 165 Y N -0.749 119.513 120.300 -0.063 0.000 2.728 165 Y HA 0.862 5.416 4.550 0.006 0.000 0.330 165 Y C -1.441 174.381 175.900 -0.132 0.000 1.234 165 Y CA -1.162 56.954 58.100 0.027 0.000 1.070 165 Y CB 0.944 39.443 38.460 0.065 0.000 1.300 165 Y HN 0.767 nan 8.280 nan 0.000 0.467 166 H N 0.429 119.541 119.070 0.070 0.000 2.747 166 H HA 0.627 5.187 4.556 0.006 0.000 0.371 166 H C -1.175 174.210 175.328 0.095 0.000 1.161 166 H CA -0.843 55.187 56.048 -0.030 0.000 1.167 166 H CB 2.046 31.826 29.762 0.031 0.000 1.732 166 H HN 0.702 nan 8.280 nan 0.000 0.544 167 L N 2.320 123.633 121.223 0.150 0.000 2.334 167 L HA 0.463 4.807 4.340 0.006 0.000 0.277 167 L C 0.647 177.597 176.870 0.133 0.000 1.075 167 L CA -0.693 54.257 54.840 0.183 0.000 0.804 167 L CB 0.912 43.054 42.059 0.140 0.000 1.174 167 L HN 0.427 nan 8.230 nan 0.000 0.438 168 R N 1.296 121.851 120.500 0.091 0.000 2.774 168 R HA -0.015 4.329 4.340 0.006 0.000 0.269 168 R C 1.211 177.508 176.300 -0.006 0.000 1.068 168 R CA -0.281 55.836 56.100 0.029 0.000 1.180 168 R CB 0.666 30.954 30.300 -0.019 0.000 1.077 168 R HN 0.669 nan 8.270 nan 0.000 0.513 169 E N 1.068 121.262 120.200 -0.009 0.000 2.085 169 E HA -0.220 4.134 4.350 0.006 0.000 0.194 169 E C 1.498 178.080 176.600 -0.030 0.000 0.994 169 E CA 2.098 58.486 56.400 -0.020 0.000 0.801 169 E CB 0.107 29.801 29.700 -0.011 0.000 0.743 169 E HN 0.683 nan 8.360 nan 0.000 0.453 170 S N 0.157 115.832 115.700 -0.042 0.000 2.402 170 S HA -0.137 4.336 4.470 0.006 0.000 0.229 170 S C 1.745 176.303 174.600 -0.069 0.000 1.021 170 S CA 1.096 59.286 58.200 -0.017 0.000 0.974 170 S CB -0.249 62.967 63.200 0.027 0.000 0.800 170 S HN 0.315 nan 8.310 nan 0.000 0.484 171 E N 0.938 120.985 120.200 -0.255 0.000 2.072 171 E HA -0.044 4.310 4.350 0.006 0.000 0.191 171 E C 2.032 178.758 176.600 0.209 0.000 0.985 171 E CA 1.060 57.345 56.400 -0.191 0.000 0.801 171 E CB -0.322 29.284 29.700 -0.158 0.000 0.750 171 E HN 0.443 nan 8.360 nan 0.000 0.452 172 L N 0.858 122.111 121.223 0.049 0.000 2.046 172 L HA -0.142 4.202 4.340 0.006 0.000 0.208 172 L C 2.188 179.029 176.870 -0.049 0.000 1.077 172 L CA 1.381 56.185 54.840 -0.060 0.000 0.747 172 L CB -0.299 41.673 42.059 -0.145 0.000 0.896 172 L HN -0.072 nan 8.230 nan 0.000 0.432 173 V N -0.395 119.524 119.914 0.008 0.000 2.407 173 V HA -0.290 3.834 4.120 0.006 0.000 0.248 173 V C 2.316 178.487 176.094 0.128 0.000 1.055 173 V CA 2.048 64.365 62.300 0.028 0.000 1.049 173 V CB -0.918 30.927 31.823 0.037 0.000 0.662 173 V HN 0.592 nan 8.190 nan 0.000 0.455 174 F N 2.020 122.033 119.950 0.105 0.000 2.113 174 F HA 0.042 4.572 4.527 0.005 0.000 0.297 174 F C 2.182 178.106 175.800 0.205 0.000 1.103 174 F CA 1.667 59.789 58.000 0.204 0.000 1.248 174 F CB -0.898 38.292 39.000 0.317 0.000 0.999 174 F HN 0.117 nan 8.300 nan 0.000 0.475 175 G N -0.043 108.782 108.800 0.042 0.000 2.418 175 G HA2 -0.217 3.747 3.960 0.006 0.000 0.217 175 G HA3 -0.217 3.747 3.960 0.006 0.000 0.217 175 G C 1.815 176.526 174.900 -0.316 0.000 1.158 175 G CA 0.825 45.802 45.100 -0.204 0.000 0.771 175 G HN 0.633 nan 8.290 nan 0.000 0.545 176 A N 0.743 123.423 122.820 -0.233 0.000 1.933 176 A HA 0.007 4.331 4.320 0.006 0.000 0.218 176 A C 2.305 179.833 177.584 -0.094 0.000 1.175 176 A CA 1.910 53.815 52.037 -0.220 0.000 0.628 176 A CB -0.301 18.606 19.000 -0.154 0.000 0.814 176 A HN 0.385 nan 8.150 nan 0.000 0.444 177 K N -0.853 119.545 120.400 -0.004 0.000 2.155 177 K HA -0.070 4.254 4.320 0.006 0.000 0.203 177 K C 2.201 178.854 176.600 0.088 0.000 1.052 177 K CA 1.033 57.447 56.287 0.210 0.000 0.948 177 K CB -0.078 32.615 32.500 0.321 0.000 0.728 177 K HN 0.380 nan 8.250 nan 0.000 0.448 178 Q N 0.199 119.851 119.800 -0.247 0.000 2.172 178 Q HA -0.035 4.309 4.340 0.006 0.000 0.200 178 Q C 2.144 177.941 176.000 -0.337 0.000 0.964 178 Q CA 1.236 56.782 55.803 -0.427 0.000 0.855 178 Q CB -0.109 28.254 28.738 -0.625 0.000 0.918 178 Q HN 0.296 nan 8.270 nan 0.000 0.444 179 A N 0.103 122.702 122.820 -0.368 0.000 1.933 179 A HA -0.178 4.146 4.320 0.006 0.000 0.218 179 A C 1.780 179.234 177.584 -0.217 0.000 1.175 179 A CA 1.290 53.015 52.037 -0.520 0.000 0.628 179 A CB -0.820 17.499 19.000 -1.135 0.000 0.814 179 A HN 0.522 nan 8.150 nan 0.000 0.444 180 W N 0.883 122.073 121.300 -0.184 0.000 2.407 180 W HA -0.067 4.596 4.660 0.004 0.000 0.305 180 W C 2.295 178.756 176.519 -0.097 0.000 1.196 180 W CA 1.343 58.697 57.345 0.016 0.000 1.311 180 W CB -0.672 28.825 29.460 0.062 0.000 1.135 180 W HN 0.355 nan 8.180 nan 0.000 0.514 181 R N 0.438 120.839 120.500 -0.165 0.000 2.127 181 R HA -0.180 4.164 4.340 0.006 0.000 0.238 181 R C 1.333 177.442 176.300 -0.319 0.000 1.134 181 R CA 1.799 57.580 56.100 -0.533 0.000 0.975 181 R CB -0.501 29.143 30.300 -1.093 0.000 0.865 181 R HN 0.086 nan 8.270 nan 0.000 0.447 182 N N 0.157 118.723 118.700 -0.224 0.000 2.336 182 N HA 0.044 4.788 4.740 0.006 0.000 0.189 182 N C -0.479 174.965 175.510 -0.110 0.000 1.113 182 N CA 0.548 53.494 53.050 -0.173 0.000 0.858 182 N CB 0.702 39.083 38.487 -0.176 0.000 0.970 182 N HN 0.157 nan 8.380 nan 0.000 0.471 183 A N 1.958 124.763 122.820 -0.025 0.000 2.444 183 A HA 0.276 4.600 4.320 0.006 0.000 0.287 183 A C -1.259 176.307 177.584 -0.030 0.000 1.195 183 A CA -0.991 51.044 52.037 -0.003 0.000 0.858 183 A CB 0.374 19.432 19.000 0.096 0.000 1.117 183 A HN -0.010 nan 8.150 nan 0.000 0.521 184 P HA -0.160 nan 4.420 nan 0.000 0.216 184 P C 1.116 178.376 177.300 -0.066 0.000 1.150 184 P CA 1.278 64.324 63.100 -0.090 0.000 0.837 184 P CB 0.136 31.753 31.700 -0.139 0.000 0.786 185 R N -2.160 118.266 120.500 -0.123 0.000 2.310 185 R HA 0.123 4.467 4.340 0.006 0.000 0.202 185 R C 0.374 176.654 176.300 -0.033 0.000 0.933 185 R CA -0.094 55.942 56.100 -0.107 0.000 1.054 185 R CB -0.592 29.507 30.300 -0.335 0.000 0.985 185 R HN 0.188 nan 8.270 nan 0.000 0.489 186 C N 0.764 120.055 119.300 -0.016 0.000 2.303 186 C HA 0.188 4.652 4.460 0.006 0.000 0.341 186 C C 1.949 176.911 174.990 -0.045 0.000 1.244 186 C CA -0.638 58.398 59.018 0.030 0.000 1.765 186 C CB 0.392 28.233 27.740 0.167 0.000 2.379 186 C HN 0.297 nan 8.230 nan 0.000 0.530 187 V N 6.073 125.913 119.914 -0.123 0.000 3.129 187 V HA 0.182 4.306 4.120 0.006 0.000 0.259 187 V C 1.825 177.944 176.094 0.042 0.000 1.116 187 V CA 2.147 64.284 62.300 -0.273 0.000 1.127 187 V CB -0.153 31.520 31.823 -0.249 0.000 0.742 187 V HN 1.059 nan 8.190 nan 0.000 0.474 188 G N -0.590 108.260 108.800 0.083 0.000 3.383 188 G HA2 0.039 4.003 3.960 0.006 0.000 0.251 188 G HA3 0.039 4.003 3.960 0.006 0.000 0.251 188 G C 1.201 176.143 174.900 0.069 0.000 1.203 188 G CA -0.348 44.812 45.100 0.101 0.000 0.852 188 G HN 0.442 nan 8.290 nan 0.000 0.531 189 R N -0.157 120.309 120.500 -0.057 0.000 2.357 189 R HA 0.142 4.486 4.340 0.006 0.000 0.202 189 R C 1.887 177.727 176.300 -0.767 0.000 1.047 189 R CA 0.090 55.856 56.100 -0.556 0.000 1.034 189 R CB -0.113 29.855 30.300 -0.554 0.000 0.875 189 R HN 0.437 nan 8.270 nan 0.000 0.473 190 I N 0.837 121.157 120.570 -0.416 0.000 3.001 190 I HA -0.200 3.974 4.170 0.006 0.000 0.268 190 I C 1.075 177.094 176.117 -0.162 0.000 1.267 190 I CA 1.099 62.291 61.300 -0.180 0.000 1.472 190 I CB 0.187 38.201 38.000 0.024 0.000 1.089 190 I HN 0.213 nan 8.210 nan 0.000 0.468 191 Q N 0.336 119.975 119.800 -0.269 0.000 2.319 191 Q HA -0.078 4.266 4.340 0.006 0.000 0.202 191 Q C 1.641 177.257 176.000 -0.640 0.000 0.896 191 Q CA 0.220 55.879 55.803 -0.240 0.000 0.942 191 Q CB -0.164 28.609 28.738 0.059 0.000 1.083 191 Q HN 0.764 nan 8.270 nan 0.000 0.510 192 W N 0.562 121.140 121.300 -1.202 0.000 2.308 192 W HA -0.178 4.488 4.660 0.010 0.000 0.301 192 W C 1.179 177.438 176.519 -0.432 0.000 1.220 192 W CA 1.383 57.933 57.345 -1.325 0.000 1.240 192 W CB -1.291 27.536 29.460 -1.055 0.000 1.142 192 W HN 0.078 nan 8.180 nan 0.000 0.521 193 G N 1.123 109.131 108.800 -1.321 0.000 2.484 193 G HA2 -0.218 3.746 3.960 0.006 0.000 0.218 193 G HA3 -0.218 3.746 3.960 0.006 0.000 0.218 193 G C 1.107 175.747 174.900 -0.432 0.000 1.130 193 G CA 0.332 44.754 45.100 -1.130 0.000 0.784 193 G HN 0.284 nan 8.290 nan 0.000 0.543 194 K N 0.212 120.472 120.400 -0.233 0.000 2.457 194 K HA 0.461 4.785 4.320 0.006 0.000 0.226 194 K C -1.315 175.370 176.600 0.142 0.000 1.114 194 K CA -0.594 55.676 56.287 -0.029 0.000 1.089 194 K CB -0.002 32.508 32.500 0.017 0.000 1.739 194 K HN 0.112 nan 8.250 nan 0.000 0.473 195 L N 2.240 123.543 121.223 0.133 0.000 2.356 195 L HA 0.367 4.710 4.340 0.006 0.000 0.277 195 L C -0.991 175.871 176.870 -0.013 0.000 0.996 195 L CA -0.444 54.499 54.840 0.172 0.000 0.822 195 L CB 1.797 44.048 42.059 0.322 0.000 1.256 195 L HN 0.285 nan 8.230 nan 0.000 0.413 196 Q N 3.493 123.226 119.800 -0.112 0.000 2.337 196 Q HA 0.421 4.765 4.340 0.006 0.000 0.255 196 Q C -1.502 174.134 176.000 -0.608 0.000 0.997 196 Q CA -0.137 55.439 55.803 -0.378 0.000 0.925 196 Q CB 1.062 29.523 28.738 -0.462 0.000 1.212 196 Q HN 0.533 nan 8.270 nan 0.000 0.436 197 V N 6.426 126.042 119.914 -0.497 0.000 2.348 197 V HA 0.326 4.450 4.120 0.006 0.000 0.270 197 V C -0.588 175.229 176.094 -0.462 0.000 1.037 197 V CA -0.497 61.556 62.300 -0.411 0.000 0.872 197 V CB -0.106 31.589 31.823 -0.213 0.000 1.002 197 V HN 0.610 nan 8.190 nan 0.000 0.464 198 F N 2.828 122.638 119.950 -0.234 0.000 2.404 198 F HA 0.331 4.858 4.527 0.001 0.000 0.358 198 F C 0.668 176.290 175.800 -0.296 0.000 1.120 198 F CA -1.106 56.742 58.000 -0.253 0.000 1.144 198 F CB 0.691 39.532 39.000 -0.265 0.000 1.133 198 F HN 0.414 nan 8.300 nan 0.000 0.495 199 D N 3.261 123.623 120.400 -0.064 0.000 2.336 199 D HA 0.338 4.982 4.640 0.006 0.000 0.249 199 D C 0.120 176.250 176.300 -0.283 0.000 1.213 199 D CA 0.147 54.045 54.000 -0.169 0.000 0.870 199 D CB 1.132 41.875 40.800 -0.095 0.000 1.076 199 D HN 0.629 nan 8.370 nan 0.000 0.483 200 A N 4.705 127.209 122.820 -0.526 0.000 2.637 200 A HA 0.158 4.482 4.320 0.006 0.000 0.293 200 A C 1.503 178.809 177.584 -0.464 0.000 1.216 200 A CA -0.410 51.089 52.037 -0.896 0.000 0.956 200 A CB 0.051 18.034 19.000 -1.695 0.000 1.174 200 A HN 0.549 nan 8.150 nan 0.000 0.525 201 R N 0.512 120.871 120.500 -0.235 0.000 2.339 201 R HA -0.071 4.273 4.340 0.006 0.000 0.199 201 R C 0.713 176.993 176.300 -0.033 0.000 1.018 201 R CA 1.163 57.205 56.100 -0.097 0.000 1.036 201 R CB 0.084 30.381 30.300 -0.005 0.000 0.899 201 R HN 0.690 nan 8.270 nan 0.000 0.473 202 D N -0.764 119.632 120.400 -0.006 0.000 2.346 202 D HA -0.070 4.574 4.640 0.006 0.000 0.206 202 D C 0.573 176.952 176.300 0.132 0.000 1.001 202 D CA -0.246 53.799 54.000 0.075 0.000 0.871 202 D CB -0.584 40.278 40.800 0.103 0.000 0.943 202 D HN -0.022 nan 8.370 nan 0.000 0.518 203 C N 1.872 121.259 119.300 0.145 0.000 2.563 203 C HA 0.272 4.736 4.460 0.006 0.000 0.411 203 C C 1.617 176.765 174.990 0.264 0.000 1.386 203 C CA 0.872 60.045 59.018 0.259 0.000 1.703 203 C CB -0.681 27.249 27.740 0.316 0.000 2.596 203 C HN 0.494 nan 8.230 nan 0.000 0.605 204 S N 2.371 118.263 115.700 0.321 0.000 2.900 204 S HA 0.339 4.813 4.470 0.006 0.000 0.253 204 S C -0.132 174.631 174.600 0.273 0.000 1.029 204 S CA 0.264 58.676 58.200 0.353 0.000 1.096 204 S CB -0.238 63.094 63.200 0.221 0.000 1.067 204 S HN 1.391 nan 8.310 nan 0.000 0.610 205 S N -0.403 115.459 115.700 0.270 0.000 2.570 205 S HA 0.803 5.277 4.470 0.006 0.000 0.270 205 S C 0.796 175.480 174.600 0.140 0.000 1.149 205 S CA -0.317 57.976 58.200 0.155 0.000 0.837 205 S CB 0.959 64.233 63.200 0.123 0.000 1.124 205 S HN 0.586 nan 8.310 nan 0.000 0.465 206 A N 0.745 123.619 122.820 0.089 0.000 1.972 206 A HA -0.078 4.246 4.320 0.006 0.000 0.219 206 A C 2.098 179.644 177.584 -0.064 0.000 1.169 206 A CA 2.180 54.252 52.037 0.060 0.000 0.635 206 A CB -1.104 18.006 19.000 0.183 0.000 0.810 206 A HN 0.907 nan 8.150 nan 0.000 0.446 207 Q N 0.224 120.084 119.800 0.100 0.000 2.050 207 Q HA -0.188 4.155 4.340 0.006 0.000 0.202 207 Q C 1.904 177.897 176.000 -0.011 0.000 0.980 207 Q CA 2.338 58.180 55.803 0.065 0.000 0.840 207 Q CB -0.376 28.484 28.738 0.203 0.000 0.898 207 Q HN 0.740 nan 8.270 nan 0.000 0.424 208 E N -0.829 119.407 120.200 0.061 0.000 2.106 208 E HA -0.154 4.200 4.350 0.006 0.000 0.192 208 E C 1.936 178.646 176.600 0.182 0.000 0.984 208 E CA 1.076 57.535 56.400 0.098 0.000 0.806 208 E CB -0.089 29.718 29.700 0.179 0.000 0.750 208 E HN 0.456 nan 8.360 nan 0.000 0.458 209 M N -0.204 119.469 119.600 0.122 0.000 2.106 209 M HA -0.183 4.301 4.480 0.006 0.000 0.259 209 M C 2.118 178.477 176.300 0.098 0.000 1.068 209 M CA 1.508 56.835 55.300 0.045 0.000 1.100 209 M CB -0.350 32.045 32.600 -0.342 0.000 1.351 209 M HN 0.222 nan 8.290 nan 0.000 0.404 210 F N 0.687 120.444 119.950 -0.322 0.000 2.134 210 F HA -0.224 4.309 4.527 0.009 0.000 0.299 210 F C 2.296 178.001 175.800 -0.159 0.000 1.097 210 F CA 1.590 59.353 58.000 -0.395 0.000 1.264 210 F CB -0.110 38.338 39.000 -0.920 0.000 1.001 210 F HN 0.029 nan 8.300 nan 0.000 0.479 211 T N -0.428 113.957 114.554 -0.282 0.000 2.746 211 T HA -0.243 4.111 4.350 0.006 0.000 0.267 211 T C 1.559 176.088 174.700 -0.285 0.000 1.039 211 T CA 1.842 63.730 62.100 -0.353 0.000 1.142 211 T CB -0.713 67.999 68.868 -0.260 0.000 0.866 211 T HN 0.373 nan 8.240 nan 0.000 0.444 212 Y N 0.749 120.991 120.300 -0.097 0.000 2.181 212 Y HA -0.042 4.511 4.550 0.005 0.000 0.288 212 Y C 2.282 178.139 175.900 -0.071 0.000 1.146 212 Y CA 0.774 58.833 58.100 -0.068 0.000 1.164 212 Y CB -0.275 38.235 38.460 0.084 0.000 0.982 212 Y HN 0.162 nan 8.280 nan 0.000 0.515 213 I N -1.454 119.206 120.570 0.151 0.000 2.202 213 I HA -0.354 3.820 4.170 0.006 0.000 0.242 213 I C 2.295 178.371 176.117 -0.067 0.000 1.091 213 I CA 0.933 62.270 61.300 0.061 0.000 1.368 213 I CB -0.510 37.532 38.000 0.070 0.000 1.058 213 I HN 0.304 nan 8.210 nan 0.000 0.410 214 C N 0.687 119.827 119.300 -0.266 0.000 2.425 214 C HA -0.137 4.326 4.460 0.006 0.000 0.277 214 C C 2.615 177.517 174.990 -0.148 0.000 1.280 214 C CA 0.845 59.694 59.018 -0.281 0.000 1.744 214 C CB -1.446 25.980 27.740 -0.524 0.000 1.989 214 C HN 0.540 nan 8.230 nan 0.000 0.491 215 N N -0.152 118.452 118.700 -0.161 0.000 2.142 215 N HA -0.126 4.618 4.740 0.006 0.000 0.186 215 N C 1.459 176.909 175.510 -0.100 0.000 1.023 215 N CA 1.382 54.334 53.050 -0.164 0.000 0.852 215 N CB -0.722 37.604 38.487 -0.268 0.000 0.998 215 N HN 0.761 nan 8.380 nan 0.000 0.424 216 H N 0.456 119.427 119.070 -0.164 0.000 2.293 216 H HA 0.055 4.616 4.556 0.008 0.000 0.300 216 H C 2.084 177.468 175.328 0.093 0.000 1.082 216 H CA 1.588 57.622 56.048 -0.022 0.000 1.308 216 H CB -0.067 29.716 29.762 0.034 0.000 1.375 216 H HN 0.082 nan 8.280 nan 0.000 0.495 217 I N 0.728 121.457 120.570 0.264 0.000 2.194 217 I HA -0.291 3.883 4.170 0.006 0.000 0.246 217 I C 2.397 178.598 176.117 0.140 0.000 1.093 217 I CA 1.473 62.875 61.300 0.171 0.000 1.355 217 I CB -0.293 37.730 38.000 0.039 0.000 1.046 217 I HN 0.337 nan 8.210 nan 0.000 0.413 218 K N -0.046 120.410 120.400 0.093 0.000 2.025 218 K HA -0.216 4.108 4.320 0.006 0.000 0.207 218 K C 2.250 178.913 176.600 0.105 0.000 1.049 218 K CA 1.673 58.000 56.287 0.067 0.000 0.933 218 K CB -0.373 32.140 32.500 0.022 0.000 0.714 218 K HN 0.239 nan 8.250 nan 0.000 0.438 219 Y N 1.351 121.673 120.300 0.036 0.000 2.145 219 Y HA -0.243 4.307 4.550 0.001 0.000 0.286 219 Y C 2.213 178.182 175.900 0.115 0.000 1.145 219 Y CA 1.592 59.741 58.100 0.082 0.000 1.148 219 Y CB -0.312 38.233 38.460 0.141 0.000 0.981 219 Y HN 0.051 nan 8.280 nan 0.000 0.507 220 A N -0.644 122.349 122.820 0.288 0.000 1.902 220 A HA -0.183 4.141 4.320 0.006 0.000 0.217 220 A C 2.203 179.856 177.584 0.115 0.000 1.181 220 A CA 2.333 54.502 52.037 0.220 0.000 0.623 220 A CB -1.339 17.874 19.000 0.356 0.000 0.818 220 A HN 0.524 nan 8.150 nan 0.000 0.443 221 T N -0.246 114.373 114.554 0.108 0.000 2.737 221 T HA -0.112 4.242 4.350 0.006 0.000 0.265 221 T C 1.100 175.805 174.700 0.009 0.000 1.038 221 T CA 1.282 63.426 62.100 0.073 0.000 1.144 221 T CB -0.440 68.468 68.868 0.066 0.000 0.866 221 T HN 0.663 nan 8.240 nan 0.000 0.434 222 N N 1.221 119.901 118.700 -0.032 0.000 2.707 222 N HA -0.261 4.483 4.740 0.006 0.000 0.253 222 N C -0.277 175.202 175.510 -0.052 0.000 0.998 222 N CA 0.530 53.533 53.050 -0.078 0.000 0.751 222 N CB -1.356 37.039 38.487 -0.154 0.000 0.920 222 N HN 0.492 nan 8.380 nan 0.000 0.539 223 R N -2.062 118.420 120.500 -0.030 0.000 3.627 223 R HA -0.216 4.128 4.340 0.006 0.000 0.281 223 R C 1.257 177.535 176.300 -0.037 0.000 1.140 223 R CA 1.186 57.268 56.100 -0.030 0.000 0.761 223 R CB -1.987 28.292 30.300 -0.034 0.000 1.181 223 R HN 1.027 nan 8.270 nan 0.000 0.472 224 G N -0.388 108.396 108.800 -0.028 0.000 2.238 224 G HA2 -0.310 3.654 3.960 0.006 0.000 0.217 224 G HA3 -0.310 3.654 3.960 0.006 0.000 0.217 224 G C -0.066 174.809 174.900 -0.042 0.000 0.996 224 G CA 0.075 45.156 45.100 -0.033 0.000 0.632 224 G HN 0.381 nan 8.290 nan 0.000 0.503 225 N N 1.202 119.865 118.700 -0.061 0.000 3.234 225 N HA 0.510 5.253 4.740 0.006 0.000 0.272 225 N C 0.451 175.906 175.510 -0.093 0.000 1.254 225 N CA -0.529 52.462 53.050 -0.099 0.000 1.087 225 N CB -0.210 38.216 38.487 -0.101 0.000 1.356 225 N HN 0.227 nan 8.380 nan 0.000 0.511 226 L N 1.498 122.688 121.223 -0.054 0.000 2.554 226 L HA 0.060 4.404 4.340 0.006 0.000 0.293 226 L C 0.852 177.774 176.870 0.087 0.000 1.252 226 L CA 1.070 55.944 54.840 0.058 0.000 0.862 226 L CB 0.190 42.378 42.059 0.216 0.000 1.113 226 L HN 0.331 nan 8.230 nan 0.000 0.510 227 R N 1.067 121.668 120.500 0.170 0.000 2.574 227 R HA 0.423 4.767 4.340 0.006 0.000 0.288 227 R C -0.798 175.674 176.300 0.287 0.000 1.004 227 R CA -0.686 55.541 56.100 0.212 0.000 0.895 227 R CB 1.785 32.074 30.300 -0.018 0.000 1.191 227 R HN 0.602 nan 8.270 nan 0.000 0.444 228 S N 1.430 117.324 115.700 0.323 0.000 2.560 228 S HA 0.483 4.957 4.470 0.006 0.000 0.284 228 S C -0.215 174.427 174.600 0.070 0.000 1.327 228 S CA -0.204 58.071 58.200 0.125 0.000 1.055 228 S CB 1.214 64.442 63.200 0.047 0.000 0.868 228 S HN 0.706 nan 8.310 nan 0.000 0.506 229 A N 2.412 125.226 122.820 -0.010 0.000 2.605 229 A HA 0.767 5.091 4.320 0.006 0.000 0.294 229 A C -1.321 176.236 177.584 -0.045 0.000 1.062 229 A CA -0.665 51.282 52.037 -0.149 0.000 0.682 229 A CB 1.103 19.952 19.000 -0.252 0.000 1.278 229 A HN 0.812 nan 8.150 nan 0.000 0.410 230 I N 0.627 121.150 120.570 -0.077 0.000 2.619 230 I HA 0.667 4.841 4.170 0.006 0.000 0.292 230 I C -1.079 175.088 176.117 0.083 0.000 1.100 230 I CA -0.172 61.213 61.300 0.141 0.000 1.043 230 I CB 2.382 40.449 38.000 0.110 0.000 1.239 230 I HN 0.601 nan 8.210 nan 0.000 0.420 231 T N 6.422 121.076 114.554 0.167 0.000 2.770 231 T HA 0.422 4.776 4.350 0.006 0.000 0.283 231 T C -0.656 173.852 174.700 -0.321 0.000 0.988 231 T CA -0.345 61.709 62.100 -0.077 0.000 0.957 231 T CB 1.439 70.250 68.868 -0.094 0.000 0.930 231 T HN 0.278 nan 8.240 nan 0.000 0.443 232 V N 5.359 125.017 119.914 -0.428 0.000 2.318 232 V HA 0.425 4.549 4.120 0.006 0.000 0.271 232 V C -0.346 175.461 176.094 -0.479 0.000 1.030 232 V CA -0.774 61.283 62.300 -0.405 0.000 0.844 232 V CB -0.370 31.177 31.823 -0.459 0.000 1.015 232 V HN 0.713 nan 8.190 nan 0.000 0.460 233 F N 5.266 125.127 119.950 -0.150 0.000 2.368 233 F HA 0.469 5.001 4.527 0.008 0.000 0.315 233 F C -1.713 173.969 175.800 -0.196 0.000 1.145 233 F CA -2.481 55.344 58.000 -0.291 0.000 1.095 233 F CB 0.139 38.938 39.000 -0.336 0.000 1.286 233 F HN 0.291 nan 8.300 nan 0.000 0.530 234 P HA -0.060 nan 4.420 nan 0.000 0.263 234 P C -0.864 176.450 177.300 0.024 0.000 1.175 234 P CA 0.091 63.117 63.100 -0.124 0.000 0.761 234 P CB 0.198 31.714 31.700 -0.306 0.000 0.794 235 Q N 3.588 123.347 119.800 -0.069 0.000 2.535 235 Q HA 0.149 4.493 4.340 0.006 0.000 0.228 235 Q C -0.221 175.673 176.000 -0.176 0.000 1.062 235 Q CA -0.361 55.183 55.803 -0.432 0.000 0.967 235 Q CB 0.497 28.699 28.738 -0.893 0.000 1.273 235 Q HN 0.330 nan 8.270 nan 0.000 0.554 236 R N -0.106 120.261 120.500 -0.221 0.000 2.537 236 R HA 0.406 4.750 4.340 0.006 0.000 0.280 236 R C -0.734 175.508 176.300 -0.097 0.000 1.058 236 R CA 0.262 56.307 56.100 -0.091 0.000 1.057 236 R CB 0.697 30.938 30.300 -0.099 0.000 0.973 236 R HN 0.676 nan 8.270 nan 0.000 0.438 237 A N 4.757 127.563 122.820 -0.024 0.000 2.386 237 A HA 0.545 4.869 4.320 0.006 0.000 0.311 237 A C -2.460 175.122 177.584 -0.003 0.000 1.068 237 A CA -2.014 50.014 52.037 -0.015 0.000 0.743 237 A CB 1.389 20.410 19.000 0.035 0.000 1.258 237 A HN 0.413 nan 8.150 nan 0.000 0.429 238 P HA 0.315 nan 4.420 nan 0.000 0.267 238 P C 0.753 178.062 177.300 0.015 0.000 1.209 238 P CA 1.809 64.912 63.100 0.005 0.000 0.763 238 P CB 0.631 32.337 31.700 0.010 0.000 0.816 239 G N 2.482 111.289 108.800 0.012 0.000 2.333 239 G HA2 -0.227 3.737 3.960 0.006 0.000 0.296 239 G HA3 -0.227 3.737 3.960 0.006 0.000 0.296 239 G C -0.083 174.827 174.900 0.017 0.000 1.059 239 G CA -0.204 44.905 45.100 0.014 0.000 1.050 239 G HN 0.734 nan 8.290 nan 0.000 0.508 240 R N -0.515 119.993 120.500 0.013 0.000 2.764 240 R HA 0.450 4.794 4.340 0.006 0.000 0.250 240 R C 0.635 176.937 176.300 0.004 0.000 1.122 240 R CA 0.052 56.159 56.100 0.012 0.000 1.022 240 R CB 0.390 30.709 30.300 0.032 0.000 1.266 240 R HN 0.958 nan 8.270 nan 0.000 0.454 241 G N 1.938 110.728 108.800 -0.016 0.000 2.732 241 G HA2 0.091 4.055 3.960 0.006 0.000 0.244 241 G HA3 0.091 4.055 3.960 0.006 0.000 0.244 241 G C -0.396 174.487 174.900 -0.027 0.000 1.226 241 G CA -0.208 44.877 45.100 -0.024 0.000 0.860 241 G HN 0.561 nan 8.290 nan 0.000 0.583 242 D N -0.816 119.582 120.400 -0.004 0.000 2.253 242 D HA 0.344 4.987 4.640 0.006 0.000 0.249 242 D C -0.449 175.864 176.300 0.022 0.000 1.049 242 D CA -0.041 53.989 54.000 0.051 0.000 0.929 242 D CB 1.164 42.005 40.800 0.069 0.000 1.176 242 D HN 0.107 nan 8.370 nan 0.000 0.437 243 F N 1.531 121.507 119.950 0.043 0.000 2.424 243 F HA 0.299 4.831 4.527 0.008 0.000 0.356 243 F C 0.918 176.747 175.800 0.048 0.000 1.110 243 F CA -0.112 57.901 58.000 0.022 0.000 1.161 243 F CB 0.630 39.639 39.000 0.014 0.000 1.115 243 F HN -0.203 nan 8.300 nan 0.000 0.507 244 R N 4.306 124.931 120.500 0.208 0.000 2.744 244 R HA 0.551 4.895 4.340 0.006 0.000 0.279 244 R C -1.135 175.325 176.300 0.267 0.000 0.977 244 R CA -0.877 55.367 56.100 0.239 0.000 0.906 244 R CB 2.314 32.783 30.300 0.282 0.000 1.197 244 R HN 0.623 nan 8.270 nan 0.000 0.463 245 I N 2.082 122.802 120.570 0.250 0.000 2.354 245 I HA 0.159 4.333 4.170 0.006 0.000 0.286 245 I C 0.417 176.753 176.117 0.366 0.000 1.007 245 I CA -0.482 60.959 61.300 0.234 0.000 1.167 245 I CB 1.269 39.347 38.000 0.130 0.000 1.320 245 I HN 0.517 nan 8.210 nan 0.000 0.458 246 W N 3.464 124.812 121.300 0.080 0.000 2.388 246 W HA -0.090 4.573 4.660 0.006 0.000 0.294 246 W C 0.991 177.621 176.519 0.185 0.000 1.212 246 W CA 0.097 57.559 57.345 0.196 0.000 1.271 246 W CB -0.908 28.634 29.460 0.138 0.000 1.126 246 W HN 0.406 nan 8.180 nan 0.000 0.535 247 N N 0.144 119.005 118.700 0.269 0.000 2.479 247 N HA 0.008 4.751 4.740 0.006 0.000 0.257 247 N C 1.320 176.891 175.510 0.102 0.000 1.232 247 N CA 0.888 54.018 53.050 0.133 0.000 0.920 247 N CB 0.609 39.111 38.487 0.025 0.000 1.105 247 N HN -0.090 nan 8.380 nan 0.000 0.444 248 S N 0.415 116.164 115.700 0.082 0.000 2.436 248 S HA -0.017 4.457 4.470 0.006 0.000 0.228 248 S C 0.271 174.860 174.600 -0.019 0.000 1.014 248 S CA 0.613 58.848 58.200 0.057 0.000 0.950 248 S CB 0.034 63.291 63.200 0.095 0.000 0.784 248 S HN 0.655 nan 8.310 nan 0.000 0.504 249 Q N -0.765 119.007 119.800 -0.046 0.000 2.456 249 Q HA 0.494 4.838 4.340 0.006 0.000 0.284 249 Q C 0.112 176.021 176.000 -0.152 0.000 1.061 249 Q CA -0.565 55.170 55.803 -0.114 0.000 0.799 249 Q CB 1.897 30.597 28.738 -0.064 0.000 1.445 249 Q HN 0.088 nan 8.270 nan 0.000 0.411 250 L N 0.048 121.156 121.223 -0.191 0.000 2.083 250 L HA -0.001 4.343 4.340 0.006 0.000 0.209 250 L C 0.477 177.196 176.870 -0.250 0.000 1.083 250 L CA 0.926 55.657 54.840 -0.182 0.000 0.752 250 L CB 0.063 42.009 42.059 -0.187 0.000 0.899 250 L HN 0.273 nan 8.230 nan 0.000 0.433 251 V N 1.014 120.689 119.914 -0.399 0.000 2.409 251 V HA 0.467 4.591 4.120 0.006 0.000 0.291 251 V C -0.224 175.319 176.094 -0.918 0.000 1.020 251 V CA -0.625 61.252 62.300 -0.705 0.000 0.848 251 V CB 1.531 32.778 31.823 -0.961 0.000 0.990 251 V HN 0.197 nan 8.190 nan 0.000 0.430 252 R N 3.023 123.118 120.500 -0.674 0.000 2.604 252 R HA 0.446 4.790 4.340 0.006 0.000 0.270 252 R C -1.780 174.320 176.300 -0.334 0.000 1.052 252 R CA -0.787 55.056 56.100 -0.428 0.000 0.902 252 R CB 2.386 32.587 30.300 -0.164 0.000 1.233 252 R HN 0.570 nan 8.270 nan 0.000 0.455 253 Y N 0.569 120.871 120.300 0.003 0.000 2.304 253 Y HA 0.397 4.951 4.550 0.007 0.000 0.327 253 Y C 1.076 176.949 175.900 -0.045 0.000 1.209 253 Y CA -0.345 57.772 58.100 0.029 0.000 1.299 253 Y CB 0.854 39.415 38.460 0.169 0.000 1.249 253 Y HN 0.657 nan 8.280 nan 0.000 0.519 254 A N 1.374 124.227 122.820 0.056 0.000 2.386 254 A HA 0.583 4.906 4.320 0.006 0.000 0.248 254 A C 0.538 177.882 177.584 -0.399 0.000 1.082 254 A CA 0.171 52.070 52.037 -0.230 0.000 0.789 254 A CB -0.205 18.593 19.000 -0.337 0.000 1.025 254 A HN 0.938 nan 8.150 nan 0.000 0.490 255 G N 0.567 109.122 108.800 -0.407 0.000 2.660 255 G HA2 0.537 4.501 3.960 0.006 0.000 0.305 255 G HA3 0.537 4.501 3.960 0.006 0.000 0.305 255 G C -1.000 173.748 174.900 -0.253 0.000 1.329 255 G CA -0.252 44.670 45.100 -0.297 0.000 1.000 255 G HN 0.564 nan 8.290 nan 0.000 0.514 256 Y N 1.558 121.882 120.300 0.040 0.000 2.367 256 Y HA 0.370 4.923 4.550 0.006 0.000 0.342 256 Y C 0.970 176.877 175.900 0.011 0.000 0.979 256 Y CA -1.113 57.009 58.100 0.036 0.000 1.161 256 Y CB 1.446 39.923 38.460 0.029 0.000 1.155 256 Y HN 0.506 nan 8.280 nan 0.000 0.503 257 R N 3.688 124.284 120.500 0.160 0.000 2.345 257 R HA 0.054 4.397 4.340 0.006 0.000 0.331 257 R C -0.349 175.995 176.300 0.074 0.000 1.067 257 R CA -0.180 55.973 56.100 0.088 0.000 0.962 257 R CB 0.189 30.530 30.300 0.067 0.000 0.987 257 R HN 0.547 nan 8.270 nan 0.000 0.451 258 Q N 2.514 122.347 119.800 0.056 0.000 2.417 258 Q HA -0.022 4.322 4.340 0.006 0.000 0.241 258 Q C 0.592 176.604 176.000 0.021 0.000 1.008 258 Q CA -0.216 55.608 55.803 0.034 0.000 0.901 258 Q CB 0.865 29.619 28.738 0.027 0.000 1.259 258 Q HN 0.640 nan 8.270 nan 0.000 0.489 259 Q N 1.319 121.125 119.800 0.009 0.000 2.084 259 Q HA -0.148 4.196 4.340 0.006 0.000 0.202 259 Q C 0.947 176.950 176.000 0.006 0.000 0.978 259 Q CA 1.595 57.401 55.803 0.005 0.000 0.844 259 Q CB 0.011 28.748 28.738 -0.003 0.000 0.898 259 Q HN 0.743 nan 8.270 nan 0.000 0.426 260 D N -2.090 118.314 120.400 0.006 0.000 2.378 260 D HA -0.051 4.593 4.640 0.006 0.000 0.227 260 D C 1.078 177.384 176.300 0.009 0.000 1.012 260 D CA 0.942 54.946 54.000 0.006 0.000 0.905 260 D CB 0.188 40.990 40.800 0.004 0.000 0.895 260 D HN 0.363 nan 8.370 nan 0.000 0.532 261 G N 0.910 109.718 108.800 0.013 0.000 2.284 261 G HA2 -0.345 3.619 3.960 0.006 0.000 0.230 261 G HA3 -0.345 3.619 3.960 0.006 0.000 0.230 261 G C 0.631 175.541 174.900 0.017 0.000 1.021 261 G CA 0.422 45.532 45.100 0.015 0.000 0.619 261 G HN 0.730 nan 8.290 nan 0.000 0.510 262 S N -0.565 115.144 115.700 0.016 0.000 2.641 262 S HA 0.609 5.083 4.470 0.006 0.000 0.251 262 S C 0.136 174.746 174.600 0.017 0.000 1.332 262 S CA 0.444 58.652 58.200 0.014 0.000 0.968 262 S CB 1.738 64.945 63.200 0.011 0.000 0.987 262 S HN 1.316 nan 8.310 nan 0.000 0.587 263 V N 0.798 120.715 119.914 0.005 0.000 2.686 263 V HA 0.525 4.649 4.120 0.006 0.000 0.306 263 V C -0.213 175.869 176.094 -0.020 0.000 1.065 263 V CA -0.769 61.531 62.300 -0.000 0.000 0.894 263 V CB 1.727 33.535 31.823 -0.026 0.000 1.004 263 V HN 0.936 nan 8.190 nan 0.000 0.424 264 R N 2.688 123.205 120.500 0.028 0.000 2.294 264 R HA 0.700 5.044 4.340 0.006 0.000 0.319 264 R C 0.618 176.893 176.300 -0.041 0.000 0.984 264 R CA 0.941 57.062 56.100 0.034 0.000 0.861 264 R CB 1.164 31.554 30.300 0.150 0.000 1.104 264 R HN 1.244 nan 8.270 nan 0.000 0.451 265 G N 2.960 111.659 108.800 -0.168 0.000 2.475 265 G HA2 -0.246 3.718 3.960 0.006 0.000 0.223 265 G HA3 -0.246 3.718 3.960 0.006 0.000 0.223 265 G C -1.278 173.290 174.900 -0.553 0.000 1.201 265 G CA -0.088 44.852 45.100 -0.267 0.000 0.962 265 G HN 0.625 nan 8.290 nan 0.000 0.586 266 D N 1.739 121.933 120.400 -0.343 0.000 2.396 266 D HA 0.564 5.207 4.640 0.006 0.000 0.225 266 D C -1.085 175.108 176.300 -0.179 0.000 1.121 266 D CA -1.919 51.883 54.000 -0.330 0.000 0.853 266 D CB 1.507 42.378 40.800 0.118 0.000 1.043 266 D HN -0.026 nan 8.370 nan 0.000 0.500 267 P HA -0.123 nan 4.420 nan 0.000 0.218 267 P C 0.898 178.192 177.300 -0.010 0.000 1.146 267 P CA 1.055 64.107 63.100 -0.080 0.000 0.813 267 P CB 0.317 31.977 31.700 -0.067 0.000 0.778 268 A N -0.557 122.269 122.820 0.010 0.000 2.015 268 A HA -0.123 4.201 4.320 0.006 0.000 0.219 268 A C 1.636 179.262 177.584 0.071 0.000 1.163 268 A CA 1.342 53.418 52.037 0.065 0.000 0.646 268 A CB -0.892 18.163 19.000 0.092 0.000 0.806 268 A HN 0.154 nan 8.150 nan 0.000 0.448 269 N N 0.020 118.747 118.700 0.045 0.000 2.279 269 N HA 0.143 4.887 4.740 0.006 0.000 0.226 269 N C 1.065 176.574 175.510 -0.001 0.000 1.126 269 N CA 0.157 53.225 53.050 0.031 0.000 0.846 269 N CB 0.637 39.138 38.487 0.023 0.000 1.050 269 N HN 0.219 nan 8.380 nan 0.000 0.502 270 V N 0.755 120.675 119.914 0.010 0.000 2.343 270 V HA -0.231 3.893 4.120 0.006 0.000 0.247 270 V C 2.422 178.528 176.094 0.019 0.000 1.051 270 V CA 1.758 64.065 62.300 0.012 0.000 1.036 270 V CB -0.257 31.581 31.823 0.026 0.000 0.654 270 V HN 0.393 nan 8.190 nan 0.000 0.451 271 E N -0.182 120.033 120.200 0.025 0.000 2.047 271 E HA -0.237 4.117 4.350 0.006 0.000 0.191 271 E C 2.157 178.696 176.600 -0.102 0.000 0.987 271 E CA 1.500 57.894 56.400 -0.010 0.000 0.799 271 E CB -0.164 29.568 29.700 0.052 0.000 0.752 271 E HN 0.463 nan 8.360 nan 0.000 0.449 272 I N 0.935 121.452 120.570 -0.087 0.000 2.286 272 I HA -0.215 3.959 4.170 0.006 0.000 0.248 272 I C 2.060 178.124 176.117 -0.087 0.000 1.115 272 I CA 1.564 62.781 61.300 -0.138 0.000 1.392 272 I CB -0.433 37.536 38.000 -0.052 0.000 1.065 272 I HN 0.106 nan 8.210 nan 0.000 0.418 273 T N 0.348 114.879 114.554 -0.038 0.000 2.746 273 T HA -0.181 4.173 4.350 0.006 0.000 0.267 273 T C 1.732 176.513 174.700 0.136 0.000 1.039 273 T CA 1.814 63.937 62.100 0.038 0.000 1.142 273 T CB -0.265 68.629 68.868 0.043 0.000 0.866 273 T HN 0.480 nan 8.240 nan 0.000 0.444 274 E N 0.515 120.761 120.200 0.077 0.000 2.204 274 E HA 0.024 4.378 4.350 0.006 0.000 0.194 274 E C 2.120 178.754 176.600 0.057 0.000 0.989 274 E CA 0.566 57.014 56.400 0.080 0.000 0.824 274 E CB -0.165 29.560 29.700 0.042 0.000 0.756 274 E HN 0.416 nan 8.360 nan 0.000 0.477 275 L N 0.079 121.301 121.223 -0.001 0.000 2.156 275 L HA -0.142 4.202 4.340 0.006 0.000 0.208 275 L C 2.377 179.347 176.870 0.167 0.000 1.095 275 L CA 0.414 55.284 54.840 0.049 0.000 0.770 275 L CB -0.143 41.846 42.059 -0.116 0.000 0.914 275 L HN 0.295 nan 8.230 nan 0.000 0.439 276 C N -0.058 119.295 119.300 0.090 0.000 2.446 276 C HA -0.118 4.346 4.460 0.006 0.000 0.277 276 C C 2.674 177.831 174.990 0.278 0.000 1.275 276 C CA 0.490 59.570 59.018 0.103 0.000 1.727 276 C CB -0.511 27.191 27.740 -0.063 0.000 2.010 276 C HN 0.423 nan 8.230 nan 0.000 0.486 277 I N 0.343 121.097 120.570 0.307 0.000 2.252 277 I HA -0.233 3.941 4.170 0.006 0.000 0.245 277 I C 2.570 178.745 176.117 0.097 0.000 1.102 277 I CA 1.433 62.872 61.300 0.231 0.000 1.385 277 I CB -0.640 37.468 38.000 0.181 0.000 1.064 277 I HN 0.427 nan 8.210 nan 0.000 0.414 278 Q N -0.166 119.666 119.800 0.053 0.000 2.291 278 Q HA -0.195 4.149 4.340 0.006 0.000 0.206 278 Q C 0.994 176.865 176.000 -0.216 0.000 0.976 278 Q CA 1.195 56.948 55.803 -0.083 0.000 0.875 278 Q CB -0.078 28.588 28.738 -0.120 0.000 0.927 278 Q HN 0.631 nan 8.270 nan 0.000 0.450 279 H N -1.865 117.192 119.070 -0.022 0.000 2.505 279 H HA 0.249 4.809 4.556 0.007 0.000 0.289 279 H C 0.696 175.993 175.328 -0.051 0.000 1.052 279 H CA 0.448 56.455 56.048 -0.069 0.000 1.156 279 H CB 0.930 30.604 29.762 -0.146 0.000 1.507 279 H HN 0.351 nan 8.280 nan 0.000 0.548 280 G N -0.268 108.568 108.800 0.059 0.000 2.179 280 G HA2 -0.255 3.709 3.960 0.006 0.000 0.220 280 G HA3 -0.255 3.709 3.960 0.006 0.000 0.220 280 G C -0.117 174.848 174.900 0.108 0.000 0.990 280 G CA -0.253 44.873 45.100 0.042 0.000 0.646 280 G HN 0.339 nan 8.290 nan 0.000 0.517 281 W N 2.599 123.876 121.300 -0.039 0.000 2.238 281 W HA 0.637 5.301 4.660 0.007 0.000 0.321 281 W C 0.197 176.706 176.519 -0.016 0.000 1.293 281 W CA 0.307 57.635 57.345 -0.029 0.000 1.204 281 W CB 0.872 30.326 29.460 -0.010 0.000 1.167 281 W HN 0.028 nan 8.180 nan 0.000 0.553 282 T N 9.508 123.735 114.554 -0.545 0.000 2.811 282 T HA 0.201 4.554 4.350 0.006 0.000 0.309 282 T C -2.158 171.806 174.700 -1.227 0.000 1.005 282 T CA -0.987 60.751 62.100 -0.604 0.000 0.955 282 T CB 0.351 69.017 68.868 -0.336 0.000 0.970 282 T HN 0.223 nan 8.240 nan 0.000 0.496 283 P HA 0.262 nan 4.420 nan 0.000 0.271 283 P C 0.466 177.321 177.300 -0.742 0.000 1.218 283 P CA -0.167 62.122 63.100 -1.351 0.000 0.780 283 P CB 1.074 32.397 31.700 -0.628 0.000 0.901 284 G N 1.698 110.205 108.800 -0.489 0.000 2.714 284 G HA2 0.299 4.262 3.960 0.006 0.000 0.197 284 G HA3 0.299 4.262 3.960 0.006 0.000 0.197 284 G C -0.097 174.470 174.900 -0.554 0.000 1.449 284 G CA -0.730 44.202 45.100 -0.280 0.000 1.065 284 G HN 0.779 nan 8.290 nan 0.000 0.575 285 N N -1.320 117.190 118.700 -0.316 0.000 2.570 285 N HA 0.268 5.012 4.740 0.006 0.000 0.261 285 N C 0.023 175.537 175.510 0.006 0.000 1.540 285 N CA -0.530 52.288 53.050 -0.386 0.000 0.959 285 N CB 0.652 38.934 38.487 -0.342 0.000 1.449 285 N HN 0.694 nan 8.380 nan 0.000 0.519 286 G N 0.314 109.252 108.800 0.229 0.000 2.667 286 G HA2 0.345 4.309 3.960 0.006 0.000 0.310 286 G HA3 0.345 4.309 3.960 0.006 0.000 0.310 286 G C 0.427 175.437 174.900 0.183 0.000 1.259 286 G CA -0.683 44.530 45.100 0.189 0.000 1.019 286 G HN 0.116 nan 8.290 nan 0.000 0.496 287 R N -1.238 119.263 120.500 0.001 0.000 2.161 287 R HA 0.123 4.467 4.340 0.006 0.000 0.213 287 R C -0.035 175.900 176.300 -0.609 0.000 1.055 287 R CA 0.753 56.672 56.100 -0.301 0.000 0.996 287 R CB 0.073 30.064 30.300 -0.515 0.000 0.901 287 R HN 0.415 nan 8.270 nan 0.000 0.456 288 F N 0.920 120.836 119.950 -0.057 0.000 2.597 288 F HA 0.245 4.776 4.527 0.007 0.000 0.336 288 F C -0.773 175.041 175.800 0.022 0.000 1.432 288 F CA -0.999 56.763 58.000 -0.397 0.000 1.120 288 F CB 0.756 39.350 39.000 -0.678 0.000 1.253 288 F HN -0.310 nan 8.300 nan 0.000 0.546 289 D N 1.710 122.307 120.400 0.329 0.000 2.347 289 D HA 0.205 4.849 4.640 0.006 0.000 0.235 289 D C 0.194 176.729 176.300 0.392 0.000 1.149 289 D CA 0.077 54.314 54.000 0.394 0.000 0.850 289 D CB 1.898 42.989 40.800 0.485 0.000 1.061 289 D HN -0.042 nan 8.370 nan 0.000 0.487 290 V N 3.451 123.557 119.914 0.320 0.000 2.673 290 V HA -0.012 4.112 4.120 0.006 0.000 0.303 290 V C 1.013 177.086 176.094 -0.035 0.000 1.046 290 V CA -0.150 62.204 62.300 0.089 0.000 1.126 290 V CB 0.268 32.099 31.823 0.013 0.000 0.934 290 V HN 0.347 nan 8.190 nan 0.000 0.487 291 L N 7.512 128.608 121.223 -0.213 0.000 2.439 291 L HA 0.434 4.778 4.340 0.006 0.000 0.261 291 L C -1.766 174.834 176.870 -0.449 0.000 1.153 291 L CA -1.492 53.062 54.840 -0.477 0.000 0.808 291 L CB 1.166 42.973 42.059 -0.420 0.000 1.126 291 L HN 0.502 nan 8.230 nan 0.000 0.460 292 P HA 0.270 nan 4.420 nan 0.000 0.281 292 P C -1.209 175.912 177.300 -0.298 0.000 1.264 292 P CA -0.555 62.289 63.100 -0.426 0.000 0.824 292 P CB 1.124 32.483 31.700 -0.569 0.000 1.092 293 L N 1.065 122.190 121.223 -0.164 0.000 2.334 293 L HA 0.391 4.735 4.340 0.006 0.000 0.277 293 L C 0.539 177.358 176.870 -0.086 0.000 1.075 293 L CA -0.738 54.053 54.840 -0.081 0.000 0.804 293 L CB 0.579 42.650 42.059 0.021 0.000 1.174 293 L HN 0.225 nan 8.230 nan 0.000 0.438 294 L N 5.016 126.179 121.223 -0.100 0.000 2.313 294 L HA 0.432 4.776 4.340 0.006 0.000 0.273 294 L C -0.586 176.164 176.870 -0.199 0.000 1.028 294 L CA -0.243 54.447 54.840 -0.250 0.000 0.871 294 L CB 0.776 42.605 42.059 -0.384 0.000 1.242 294 L HN 0.459 nan 8.230 nan 0.000 0.434 295 L N 3.482 124.656 121.223 -0.082 0.000 2.307 295 L HA 0.483 4.827 4.340 0.006 0.000 0.282 295 L C -0.145 176.657 176.870 -0.114 0.000 1.051 295 L CA -0.287 54.531 54.840 -0.037 0.000 0.804 295 L CB 1.581 43.641 42.059 0.001 0.000 1.197 295 L HN 0.544 nan 8.230 nan 0.000 0.431 296 Q N 2.193 121.951 119.800 -0.070 0.000 2.321 296 Q HA 0.693 5.036 4.340 0.006 0.000 0.270 296 Q C -1.260 174.679 176.000 -0.102 0.000 1.032 296 Q CA -0.556 55.203 55.803 -0.075 0.000 0.784 296 Q CB 2.338 31.122 28.738 0.078 0.000 1.264 296 Q HN 0.797 nan 8.270 nan 0.000 0.448 297 A N 4.511 127.218 122.820 -0.189 0.000 2.269 297 A HA 0.738 5.062 4.320 0.006 0.000 0.327 297 A C -2.498 174.820 177.584 -0.443 0.000 1.112 297 A CA -1.801 49.965 52.037 -0.453 0.000 0.865 297 A CB 0.391 19.219 19.000 -0.287 0.000 1.227 297 A HN 0.609 nan 8.150 nan 0.000 0.498 298 P HA 0.057 nan 4.420 nan 0.000 0.260 298 P C -0.671 176.529 177.300 -0.167 0.000 1.185 298 P CA 0.930 63.818 63.100 -0.353 0.000 0.763 298 P CB 0.086 31.580 31.700 -0.344 0.000 0.776 299 D N 0.304 120.650 120.400 -0.091 0.000 3.059 299 D HA -0.184 4.459 4.640 0.006 0.000 0.220 299 D C -0.129 176.154 176.300 -0.029 0.000 1.169 299 D CA 1.277 55.254 54.000 -0.038 0.000 0.902 299 D CB -0.712 40.071 40.800 -0.029 0.000 1.116 299 D HN 0.556 nan 8.370 nan 0.000 0.417 300 E N -0.404 119.768 120.200 -0.046 0.000 2.281 300 E HA 0.690 5.044 4.350 0.006 0.000 0.262 300 E C -0.014 176.572 176.600 -0.024 0.000 0.933 300 E CA -0.796 55.582 56.400 -0.037 0.000 0.809 300 E CB 1.550 31.215 29.700 -0.059 0.000 1.242 300 E HN 0.140 nan 8.360 nan 0.000 0.418 301 A N 2.125 124.929 122.820 -0.027 0.000 2.332 301 A HA 0.387 4.711 4.320 0.006 0.000 0.258 301 A C -2.124 175.360 177.584 -0.168 0.000 1.087 301 A CA -1.084 50.927 52.037 -0.043 0.000 0.802 301 A CB -0.283 18.711 19.000 -0.009 0.000 1.042 301 A HN 0.366 nan 8.150 nan 0.000 0.489 302 P HA 0.244 nan 4.420 nan 0.000 0.275 302 P C -0.796 176.243 177.300 -0.436 0.000 1.228 302 P CA 0.061 62.803 63.100 -0.597 0.000 0.786 302 P CB 0.862 31.715 31.700 -1.412 0.000 0.927 303 E N 0.832 120.846 120.200 -0.311 0.000 2.207 303 E HA 0.424 4.778 4.350 0.006 0.000 0.270 303 E C -0.769 175.537 176.600 -0.491 0.000 0.927 303 E CA -1.078 55.108 56.400 -0.357 0.000 0.799 303 E CB 1.451 30.967 29.700 -0.308 0.000 1.172 303 E HN 0.277 nan 8.360 nan 0.000 0.404 304 L N 2.888 123.748 121.223 -0.604 0.000 2.326 304 L HA 0.405 4.749 4.340 0.006 0.000 0.278 304 L C -1.466 174.873 176.870 -0.885 0.000 1.092 304 L CA 0.277 54.800 54.840 -0.529 0.000 0.810 304 L CB 0.152 42.027 42.059 -0.306 0.000 1.153 304 L HN 0.425 nan 8.230 nan 0.000 0.439 305 F N 3.973 123.688 119.950 -0.391 0.000 2.562 305 F HA 0.420 4.952 4.527 0.008 0.000 0.319 305 F C -0.357 175.137 175.800 -0.510 0.000 1.154 305 F CA -0.893 56.718 58.000 -0.648 0.000 0.931 305 F CB 1.703 39.981 39.000 -1.204 0.000 1.198 305 F HN -0.005 nan 8.300 nan 0.000 0.444 306 V N 4.859 124.649 119.914 -0.206 0.000 2.432 306 V HA 0.260 4.384 4.120 0.006 0.000 0.275 306 V C 0.262 176.408 176.094 0.087 0.000 1.043 306 V CA -0.689 61.582 62.300 -0.049 0.000 0.925 306 V CB 1.274 33.117 31.823 0.033 0.000 0.985 306 V HN 0.543 nan 8.190 nan 0.000 0.466 307 L N 7.498 128.801 121.223 0.134 0.000 2.410 307 L HA 0.263 4.607 4.340 0.006 0.000 0.273 307 L C -2.111 174.857 176.870 0.163 0.000 1.144 307 L CA -1.428 53.550 54.840 0.230 0.000 0.863 307 L CB 0.517 42.651 42.059 0.125 0.000 1.140 307 L HN 0.437 nan 8.230 nan 0.000 0.463 308 P HA 0.089 nan 4.420 nan 0.000 0.266 308 P C -1.981 175.367 177.300 0.080 0.000 1.215 308 P CA -0.996 62.174 63.100 0.117 0.000 0.763 308 P CB 0.486 32.247 31.700 0.103 0.000 0.806 309 P HA -0.276 nan 4.420 nan 0.000 0.218 309 P C 1.396 178.722 177.300 0.045 0.000 1.154 309 P CA 1.487 64.624 63.100 0.061 0.000 0.872 309 P CB -0.175 31.564 31.700 0.065 0.000 0.790 310 E N -0.119 120.104 120.200 0.039 0.000 2.338 310 E HA -0.139 4.214 4.350 0.006 0.000 0.197 310 E C 1.677 178.289 176.600 0.020 0.000 1.007 310 E CA 1.029 57.444 56.400 0.026 0.000 0.849 310 E CB -1.003 28.710 29.700 0.022 0.000 0.774 310 E HN 0.321 nan 8.360 nan 0.000 0.506 311 L N 0.855 122.092 121.223 0.024 0.000 2.375 311 L HA 0.101 4.445 4.340 0.006 0.000 0.215 311 L C 0.759 177.640 176.870 0.017 0.000 1.108 311 L CA 0.102 54.951 54.840 0.016 0.000 0.830 311 L CB 0.429 42.494 42.059 0.010 0.000 0.959 311 L HN -0.097 nan 8.230 nan 0.000 0.457 312 V N 2.381 122.306 119.914 0.019 0.000 2.284 312 V HA 0.132 4.256 4.120 0.006 0.000 0.260 312 V C 0.086 176.196 176.094 0.026 0.000 1.084 312 V CA -0.508 61.800 62.300 0.012 0.000 0.894 312 V CB 0.999 32.818 31.823 -0.006 0.000 1.119 312 V HN 0.061 nan 8.190 nan 0.000 0.484 313 L N 5.434 126.677 121.223 0.032 0.000 2.410 313 L HA 0.416 4.759 4.340 0.006 0.000 0.273 313 L C 0.183 177.070 176.870 0.028 0.000 1.152 313 L CA 0.837 55.688 54.840 0.017 0.000 0.855 313 L CB 0.372 42.435 42.059 0.006 0.000 1.129 313 L HN 0.648 nan 8.230 nan 0.000 0.463 314 E N 3.131 123.327 120.200 -0.006 0.000 2.336 314 E HA 0.623 4.977 4.350 0.006 0.000 0.267 314 E C -1.507 175.024 176.600 -0.114 0.000 0.906 314 E CA -1.030 55.362 56.400 -0.013 0.000 0.781 314 E CB 2.440 32.163 29.700 0.038 0.000 1.261 314 E HN 0.376 nan 8.360 nan 0.000 0.436 315 V N 2.571 122.391 119.914 -0.157 0.000 2.409 315 V HA 0.304 4.428 4.120 0.006 0.000 0.290 315 V C -2.488 173.548 176.094 -0.097 0.000 1.017 315 V CA -1.998 60.167 62.300 -0.226 0.000 0.841 315 V CB 1.339 32.808 31.823 -0.590 0.000 1.003 315 V HN 0.521 nan 8.190 nan 0.000 0.426 316 P HA 0.277 nan 4.420 nan 0.000 0.276 316 P C -0.516 176.796 177.300 0.021 0.000 1.243 316 P CA -0.064 63.012 63.100 -0.040 0.000 0.768 316 P CB 0.542 32.226 31.700 -0.027 0.000 0.856 317 L N 4.156 125.423 121.223 0.074 0.000 2.305 317 L HA 0.407 4.750 4.340 0.006 0.000 0.281 317 L C 1.035 178.060 176.870 0.258 0.000 1.085 317 L CA -0.018 54.929 54.840 0.178 0.000 0.813 317 L CB 0.345 42.567 42.059 0.273 0.000 1.157 317 L HN 0.475 nan 8.230 nan 0.000 0.436 318 E N 1.798 122.117 120.200 0.199 0.000 2.383 318 E HA 0.391 4.745 4.350 0.006 0.000 0.275 318 E C -1.273 175.336 176.600 0.014 0.000 0.918 318 E CA -0.956 55.568 56.400 0.206 0.000 0.764 318 E CB 2.075 31.873 29.700 0.164 0.000 1.252 318 E HN 0.454 nan 8.360 nan 0.000 0.449 319 H N 1.968 120.905 119.070 -0.222 0.000 2.467 319 H HA 0.211 4.771 4.556 0.007 0.000 0.331 319 H C -1.645 173.379 175.328 -0.506 0.000 1.120 319 H CA -2.177 53.579 56.048 -0.487 0.000 1.270 319 H CB 1.944 31.354 29.762 -0.586 0.000 1.466 319 H HN 0.470 nan 8.280 nan 0.000 0.504 320 P HA -0.101 nan 4.420 nan 0.000 0.220 320 P C 0.907 178.042 177.300 -0.274 0.000 1.148 320 P CA 1.492 64.087 63.100 -0.842 0.000 0.803 320 P CB 0.531 31.717 31.700 -0.857 0.000 0.782 321 T N -4.381 110.164 114.554 -0.015 0.000 3.010 321 T HA 0.184 4.537 4.350 0.006 0.000 0.252 321 T C 0.903 175.585 174.700 -0.031 0.000 0.963 321 T CA -0.212 61.895 62.100 0.010 0.000 0.952 321 T CB -0.629 68.257 68.868 0.031 0.000 1.182 321 T HN -0.072 nan 8.240 nan 0.000 0.495 322 L N 2.979 124.132 121.223 -0.117 0.000 2.401 322 L HA 0.351 4.695 4.340 0.006 0.000 0.283 322 L C 1.303 177.846 176.870 -0.545 0.000 1.151 322 L CA -0.262 54.277 54.840 -0.502 0.000 0.942 322 L CB 0.191 41.611 42.059 -1.065 0.000 1.283 322 L HN 0.312 nan 8.230 nan 0.000 0.442 323 E N 3.103 123.150 120.200 -0.256 0.000 2.130 323 E HA -0.236 4.118 4.350 0.006 0.000 0.196 323 E C 1.669 178.215 176.600 -0.090 0.000 0.998 323 E CA 1.830 58.166 56.400 -0.107 0.000 0.806 323 E CB -0.048 29.664 29.700 0.021 0.000 0.738 323 E HN 0.837 nan 8.360 nan 0.000 0.459 324 W N 0.206 121.557 121.300 0.084 0.000 2.525 324 W HA -0.072 4.592 4.660 0.007 0.000 0.259 324 W C 1.555 178.122 176.519 0.079 0.000 1.253 324 W CA -0.072 57.310 57.345 0.062 0.000 1.262 324 W CB -0.948 28.526 29.460 0.024 0.000 1.122 324 W HN -0.034 nan 8.180 nan 0.000 0.607 325 F N 2.907 122.460 119.950 -0.661 0.000 2.126 325 F HA -0.164 4.367 4.527 0.006 0.000 0.299 325 F C 2.733 178.501 175.800 -0.054 0.000 1.096 325 F CA 3.122 60.869 58.000 -0.422 0.000 1.255 325 F CB -0.549 38.122 39.000 -0.549 0.000 0.997 325 F HN -0.075 nan 8.300 nan 0.000 0.479 326 A N 0.037 122.956 122.820 0.166 0.000 1.978 326 A HA -0.125 4.199 4.320 0.006 0.000 0.220 326 A C 2.271 179.906 177.584 0.086 0.000 1.170 326 A CA 1.588 53.711 52.037 0.143 0.000 0.636 326 A CB -1.436 17.630 19.000 0.109 0.000 0.810 326 A HN 0.451 nan 8.150 nan 0.000 0.448 327 A N -1.073 121.802 122.820 0.092 0.000 2.172 327 A HA 0.120 4.443 4.320 0.006 0.000 0.216 327 A C 1.764 179.386 177.584 0.064 0.000 1.154 327 A CA 1.151 53.241 52.037 0.089 0.000 0.701 327 A CB -0.382 18.692 19.000 0.123 0.000 0.789 327 A HN 0.371 nan 8.150 nan 0.000 0.465 328 L N -0.878 120.355 121.223 0.017 0.000 2.275 328 L HA 0.060 4.403 4.340 0.006 0.000 0.215 328 L C 1.869 178.757 176.870 0.031 0.000 1.119 328 L CA 1.319 56.146 54.840 -0.021 0.000 0.790 328 L CB -1.173 40.761 42.059 -0.209 0.000 0.919 328 L HN 0.680 nan 8.230 nan 0.000 0.443 329 G N -0.597 108.227 108.800 0.040 0.000 2.176 329 G HA2 -0.278 3.686 3.960 0.006 0.000 0.252 329 G HA3 -0.278 3.686 3.960 0.006 0.000 0.252 329 G C 0.266 175.207 174.900 0.068 0.000 1.024 329 G CA 0.300 45.442 45.100 0.069 0.000 0.755 329 G HN 0.303 nan 8.290 nan 0.000 0.507 330 L N -0.076 121.154 121.223 0.012 0.000 2.375 330 L HA 0.814 5.158 4.340 0.006 0.000 0.271 330 L C 1.053 177.758 176.870 -0.274 0.000 1.107 330 L CA -0.766 54.025 54.840 -0.081 0.000 0.806 330 L CB 1.078 43.175 42.059 0.064 0.000 1.146 330 L HN 0.544 nan 8.230 nan 0.000 0.447 331 R N 1.735 121.827 120.500 -0.679 0.000 2.716 331 R HA 0.504 4.848 4.340 0.006 0.000 0.271 331 R C -2.154 173.997 176.300 -0.248 0.000 1.028 331 R CA -1.005 54.832 56.100 -0.439 0.000 0.883 331 R CB 1.898 31.884 30.300 -0.522 0.000 1.250 331 R HN 0.635 nan 8.270 nan 0.000 0.465 332 W N 2.156 123.376 121.300 -0.132 0.000 3.217 332 W HA 0.321 4.985 4.660 0.006 0.000 0.323 332 W C -1.114 175.484 176.519 0.130 0.000 1.216 332 W CA -1.024 56.346 57.345 0.043 0.000 1.194 332 W CB 1.962 31.382 29.460 -0.067 0.000 1.397 332 W HN 0.704 nan 8.180 nan 0.000 0.537 333 Y N 1.388 121.540 120.300 -0.248 0.000 2.379 333 Y HA 0.474 5.027 4.550 0.006 0.000 0.337 333 Y C 0.825 176.916 175.900 0.318 0.000 1.238 333 Y CA 0.322 58.393 58.100 -0.048 0.000 1.405 333 Y CB 0.250 38.564 38.460 -0.244 0.000 1.310 333 Y HN 0.358 nan 8.280 nan 0.000 0.569 334 A N 2.642 125.689 122.820 0.378 0.000 2.016 334 A HA 0.079 4.403 4.320 0.006 0.000 0.217 334 A C 0.429 178.351 177.584 0.563 0.000 1.162 334 A CA 0.325 52.631 52.037 0.449 0.000 0.662 334 A CB -0.263 18.827 19.000 0.150 0.000 0.812 334 A HN 0.685 nan 8.150 nan 0.000 0.450 335 L N 1.819 123.338 121.223 0.494 0.000 2.276 335 L HA 0.435 4.779 4.340 0.006 0.000 0.286 335 L C -2.607 174.435 176.870 0.287 0.000 1.024 335 L CA -2.182 52.856 54.840 0.329 0.000 0.826 335 L CB 1.764 43.939 42.059 0.194 0.000 1.211 335 L HN -0.044 nan 8.230 nan 0.000 0.422 336 P HA 0.364 nan 4.420 nan 0.000 0.295 336 P C -1.494 175.721 177.300 -0.142 0.000 1.354 336 P CA -0.369 62.629 63.100 -0.170 0.000 0.814 336 P CB 1.469 32.694 31.700 -0.791 0.000 0.935 337 A N 4.462 127.198 122.820 -0.141 0.000 2.466 337 A HA 0.427 4.751 4.320 0.006 0.000 0.291 337 A C -0.288 177.060 177.584 -0.394 0.000 1.234 337 A CA -0.652 51.221 52.037 -0.274 0.000 0.752 337 A CB 0.876 19.726 19.000 -0.250 0.000 1.153 337 A HN 0.294 nan 8.150 nan 0.000 0.458 338 V N 2.858 122.361 119.914 -0.686 0.000 2.521 338 V HA 0.281 4.405 4.120 0.006 0.000 0.286 338 V C 1.167 176.813 176.094 -0.747 0.000 1.034 338 V CA 1.115 62.968 62.300 -0.746 0.000 1.045 338 V CB 1.061 32.270 31.823 -1.022 0.000 0.974 338 V HN 1.101 nan 8.190 nan 0.000 0.480 339 S N 1.558 117.042 115.700 -0.360 0.000 2.733 339 S HA 0.054 4.528 4.470 0.006 0.000 0.247 339 S C 0.770 175.338 174.600 -0.055 0.000 1.043 339 S CA 0.052 58.133 58.200 -0.199 0.000 1.066 339 S CB -0.415 62.714 63.200 -0.118 0.000 1.045 339 S HN 0.911 nan 8.310 nan 0.000 0.586 340 N N 0.463 119.136 118.700 -0.046 0.000 2.205 340 N HA 0.292 5.036 4.740 0.006 0.000 0.201 340 N C 0.196 175.740 175.510 0.056 0.000 1.128 340 N CA -0.483 52.585 53.050 0.030 0.000 0.867 340 N CB 0.080 38.594 38.487 0.046 0.000 0.996 340 N HN 0.264 nan 8.380 nan 0.000 0.503 341 M N 1.442 121.076 119.600 0.057 0.000 2.342 341 M HA 0.284 4.768 4.480 0.006 0.000 0.332 341 M C -0.529 175.888 176.300 0.194 0.000 1.166 341 M CA -0.821 54.551 55.300 0.121 0.000 1.086 341 M CB 2.295 34.977 32.600 0.136 0.000 1.541 341 M HN 0.144 nan 8.290 nan 0.000 0.462 342 L N 3.347 124.678 121.223 0.179 0.000 2.289 342 L HA 0.505 4.849 4.340 0.006 0.000 0.285 342 L C -1.237 175.768 176.870 0.224 0.000 1.049 342 L CA -0.884 54.066 54.840 0.183 0.000 0.804 342 L CB 0.991 43.111 42.059 0.102 0.000 1.195 342 L HN 0.608 nan 8.230 nan 0.000 0.428 343 L N 5.390 126.762 121.223 0.248 0.000 2.264 343 L HA 0.459 4.802 4.340 0.006 0.000 0.289 343 L C -0.479 176.449 176.870 0.095 0.000 1.044 343 L CA 0.310 55.213 54.840 0.105 0.000 0.807 343 L CB 1.020 43.134 42.059 0.090 0.000 1.192 343 L HN 0.677 nan 8.230 nan 0.000 0.425 344 E N 6.610 126.773 120.200 -0.061 0.000 2.158 344 E HA 0.429 4.783 4.350 0.006 0.000 0.271 344 E C -1.608 174.908 176.600 -0.141 0.000 0.911 344 E CA -0.461 55.904 56.400 -0.058 0.000 0.767 344 E CB 1.211 30.872 29.700 -0.065 0.000 1.120 344 E HN 0.745 nan 8.360 nan 0.000 0.405 345 I N 2.634 123.121 120.570 -0.138 0.000 2.500 345 I HA 0.260 4.434 4.170 0.006 0.000 0.286 345 I C 0.813 176.725 176.117 -0.343 0.000 1.063 345 I CA -0.595 60.489 61.300 -0.361 0.000 1.062 345 I CB 2.032 39.722 38.000 -0.517 0.000 1.223 345 I HN 0.796 nan 8.210 nan 0.000 0.435 346 G N 4.059 112.720 108.800 -0.232 0.000 2.233 346 G HA2 -0.157 3.807 3.960 0.006 0.000 0.270 346 G HA3 -0.157 3.807 3.960 0.006 0.000 0.270 346 G C 1.024 176.017 174.900 0.154 0.000 1.011 346 G CA 0.756 45.923 45.100 0.111 0.000 0.762 346 G HN 1.626 nan 8.290 nan 0.000 0.511 347 G N -2.026 106.791 108.800 0.029 0.000 2.195 347 G HA2 -0.210 3.753 3.960 0.006 0.000 0.246 347 G HA3 -0.210 3.753 3.960 0.006 0.000 0.246 347 G C 0.423 175.279 174.900 -0.074 0.000 0.984 347 G CA 0.374 45.487 45.100 0.021 0.000 0.633 347 G HN 1.256 nan 8.290 nan 0.000 0.525 348 L N 1.008 122.127 121.223 -0.173 0.000 2.326 348 L HA 0.566 4.910 4.340 0.006 0.000 0.278 348 L C 0.246 176.889 176.870 -0.378 0.000 1.092 348 L CA -0.428 54.188 54.840 -0.374 0.000 0.810 348 L CB 1.121 42.848 42.059 -0.553 0.000 1.153 348 L HN 0.202 nan 8.230 nan 0.000 0.439 349 E N 3.057 122.978 120.200 -0.464 0.000 2.145 349 E HA 0.352 4.706 4.350 0.006 0.000 0.270 349 E C -1.419 174.887 176.600 -0.489 0.000 0.906 349 E CA -0.385 55.821 56.400 -0.323 0.000 0.761 349 E CB 1.530 31.134 29.700 -0.161 0.000 1.116 349 E HN 0.277 nan 8.360 nan 0.000 0.408 350 F N 2.131 122.057 119.950 -0.040 0.000 2.291 350 F HA 0.098 4.630 4.527 0.008 0.000 0.368 350 F C 1.535 177.376 175.800 0.067 0.000 1.085 350 F CA -0.506 57.497 58.000 0.004 0.000 1.165 350 F CB 0.923 39.910 39.000 -0.021 0.000 1.429 350 F HN 0.453 nan 8.300 nan 0.000 0.503 351 S N 1.199 116.999 115.700 0.168 0.000 2.442 351 S HA 0.055 4.529 4.470 0.006 0.000 0.236 351 S C 0.889 175.619 174.600 0.217 0.000 1.007 351 S CA 0.486 58.784 58.200 0.162 0.000 0.965 351 S CB -0.042 63.230 63.200 0.121 0.000 0.773 351 S HN 0.477 nan 8.310 nan 0.000 0.504 352 A N 0.444 123.438 122.820 0.291 0.000 2.363 352 A HA 0.828 5.151 4.320 0.006 0.000 0.296 352 A C -0.169 177.667 177.584 0.420 0.000 1.237 352 A CA -0.179 52.062 52.037 0.341 0.000 0.773 352 A CB 0.948 20.143 19.000 0.325 0.000 1.153 352 A HN 1.041 nan 8.150 nan 0.000 0.473 353 A N 4.189 127.201 122.820 0.320 0.000 3.277 353 A HA 0.617 4.941 4.320 0.006 0.000 0.281 353 A C -3.073 174.646 177.584 0.225 0.000 1.179 353 A CA -0.878 51.303 52.037 0.239 0.000 0.879 353 A CB 0.425 19.564 19.000 0.232 0.000 1.374 353 A HN 0.508 nan 8.150 nan 0.000 0.590 354 P HA 0.411 nan 4.420 nan 0.000 0.268 354 P C -0.742 176.582 177.300 0.039 0.000 1.204 354 P CA 0.441 63.507 63.100 -0.056 0.000 0.768 354 P CB 0.238 31.876 31.700 -0.102 0.000 0.842 355 F N 0.098 119.985 119.950 -0.105 0.000 2.577 355 F HA 0.788 5.318 4.527 0.005 0.000 0.318 355 F C -0.398 175.312 175.800 -0.152 0.000 1.065 355 F CA -1.141 56.797 58.000 -0.104 0.000 0.929 355 F CB 1.701 40.510 39.000 -0.319 0.000 1.237 355 F HN 0.408 nan 8.300 nan 0.000 0.468 356 S N 0.363 116.141 115.700 0.130 0.000 2.607 356 S HA 0.968 5.441 4.470 0.006 0.000 0.273 356 S C -0.715 173.849 174.600 -0.059 0.000 1.148 356 S CA -0.181 58.030 58.200 0.018 0.000 0.833 356 S CB 1.538 64.822 63.200 0.140 0.000 1.130 356 S HN 1.484 nan 8.310 nan 0.000 0.470 357 G N -0.250 108.484 108.800 -0.110 0.000 3.495 357 G HA2 0.687 4.651 3.960 0.006 0.000 0.178 357 G HA3 0.687 4.651 3.960 0.006 0.000 0.178 357 G C -1.599 173.352 174.900 0.086 0.000 1.262 357 G CA -0.097 44.891 45.100 -0.187 0.000 1.096 357 G HN 1.268 nan 8.290 nan 0.000 0.727 358 W N -1.446 119.848 121.300 -0.011 0.000 3.075 358 W HA 0.809 5.472 4.660 0.005 0.000 0.334 358 W C -1.888 174.626 176.519 -0.008 0.000 1.243 358 W CA -2.036 55.324 57.345 0.025 0.000 1.170 358 W CB 0.509 30.030 29.460 0.103 0.000 1.452 358 W HN 0.388 nan 8.180 nan 0.000 0.572 359 Y N 2.657 123.153 120.300 0.327 0.000 2.346 359 Y HA 0.343 4.897 4.550 0.007 0.000 0.330 359 Y C 0.755 176.706 175.900 0.084 0.000 1.178 359 Y CA -0.708 57.463 58.100 0.118 0.000 1.331 359 Y CB 1.352 39.801 38.460 -0.019 0.000 1.253 359 Y HN 0.445 nan 8.280 nan 0.000 0.529 360 M N 2.604 122.356 119.600 0.253 0.000 2.129 360 M HA 0.187 4.671 4.480 0.006 0.000 0.348 360 M C 1.060 177.362 176.300 0.004 0.000 1.116 360 M CA -0.228 55.144 55.300 0.120 0.000 1.022 360 M CB 0.978 33.628 32.600 0.083 0.000 1.599 360 M HN 0.858 nan 8.290 nan 0.000 0.449 361 S N 1.505 117.158 115.700 -0.079 0.000 2.400 361 S HA -0.236 4.238 4.470 0.006 0.000 0.234 361 S C 1.532 176.006 174.600 -0.211 0.000 1.049 361 S CA 2.338 60.415 58.200 -0.205 0.000 1.039 361 S CB -1.464 61.647 63.200 -0.148 0.000 0.856 361 S HN 0.924 nan 8.310 nan 0.000 0.465 362 T N -0.284 114.187 114.554 -0.137 0.000 2.833 362 T HA -0.059 4.295 4.350 0.006 0.000 0.269 362 T C 1.642 176.217 174.700 -0.209 0.000 1.054 362 T CA 1.407 63.390 62.100 -0.196 0.000 1.135 362 T CB -0.569 68.157 68.868 -0.237 0.000 0.869 362 T HN 0.454 nan 8.240 nan 0.000 0.466 363 E N 1.167 121.268 120.200 -0.165 0.000 2.110 363 E HA -0.023 4.330 4.350 0.006 0.000 0.193 363 E C 1.843 178.223 176.600 -0.366 0.000 0.988 363 E CA 1.086 57.397 56.400 -0.147 0.000 0.804 363 E CB -0.453 29.288 29.700 0.070 0.000 0.745 363 E HN 0.715 nan 8.360 nan 0.000 0.458 364 I N -1.143 119.075 120.570 -0.586 0.000 2.364 364 I HA 0.021 4.195 4.170 0.006 0.000 0.241 364 I C 2.370 178.124 176.117 -0.604 0.000 1.082 364 I CA 0.860 61.610 61.300 -0.915 0.000 1.401 364 I CB -0.609 36.752 38.000 -1.065 0.000 1.126 364 I HN 0.202 nan 8.210 nan 0.000 0.429 365 G N 0.140 108.698 108.800 -0.404 0.000 2.422 365 G HA2 -0.159 3.805 3.960 0.006 0.000 0.218 365 G HA3 -0.159 3.805 3.960 0.006 0.000 0.218 365 G C 1.595 176.388 174.900 -0.179 0.000 1.140 365 G CA 1.464 46.420 45.100 -0.239 0.000 0.775 365 G HN 0.295 nan 8.290 nan 0.000 0.545 366 T N -0.000 114.431 114.554 -0.204 0.000 2.990 366 T HA 0.100 4.454 4.350 0.006 0.000 0.237 366 T C 2.522 177.132 174.700 -0.150 0.000 1.009 366 T CA 0.248 62.252 62.100 -0.160 0.000 1.195 366 T CB 0.047 68.807 68.868 -0.181 0.000 0.885 366 T HN -0.005 nan 8.240 nan 0.000 0.424 367 R N 2.115 122.512 120.500 -0.173 0.000 2.070 367 R HA 0.106 4.450 4.340 0.006 0.000 0.227 367 R C 2.234 178.444 176.300 -0.150 0.000 1.147 367 R CA 1.184 57.197 56.100 -0.145 0.000 0.924 367 R CB -1.334 28.893 30.300 -0.122 0.000 0.827 367 R HN 0.334 nan 8.270 nan 0.000 0.431 368 N N 1.002 119.563 118.700 -0.231 0.000 2.069 368 N HA -0.121 4.623 4.740 0.006 0.000 0.191 368 N C 2.021 177.472 175.510 -0.098 0.000 1.031 368 N CA 1.219 54.126 53.050 -0.238 0.000 0.852 368 N CB -0.320 37.722 38.487 -0.742 0.000 1.018 368 N HN 0.192 nan 8.380 nan 0.000 0.423 369 L N -0.514 120.589 121.223 -0.201 0.000 2.209 369 L HA 0.028 4.372 4.340 0.006 0.000 0.207 369 L C 1.624 178.535 176.870 0.067 0.000 1.094 369 L CA 0.531 55.354 54.840 -0.029 0.000 0.790 369 L CB 0.086 42.092 42.059 -0.089 0.000 0.932 369 L HN 0.177 nan 8.230 nan 0.000 0.447 370 C N -1.526 117.775 119.300 0.002 0.000 2.912 370 C HA 0.160 4.624 4.460 0.006 0.000 0.274 370 C C 0.721 175.721 174.990 0.017 0.000 1.248 370 C CA -0.957 58.077 59.018 0.025 0.000 1.694 370 C CB -0.467 27.273 27.740 0.000 0.000 2.024 370 C HN 0.294 nan 8.230 nan 0.000 0.605 371 D N 2.864 123.252 120.400 -0.019 0.000 2.488 371 D HA 0.046 4.690 4.640 0.006 0.000 0.238 371 D C -1.001 175.327 176.300 0.047 0.000 1.138 371 D CA -1.330 52.657 54.000 -0.023 0.000 0.873 371 D CB 0.758 41.429 40.800 -0.215 0.000 1.183 371 D HN 0.193 nan 8.370 nan 0.000 0.458 372 P HA -0.172 nan 4.420 nan 0.000 0.218 372 P C 0.682 178.096 177.300 0.191 0.000 1.148 372 P CA 1.354 64.551 63.100 0.162 0.000 0.822 372 P CB -0.007 31.782 31.700 0.149 0.000 0.784 373 H N -2.283 116.798 119.070 0.019 0.000 2.524 373 H HA 0.343 4.903 4.556 0.006 0.000 0.280 373 H C 1.066 176.402 175.328 0.012 0.000 1.018 373 H CA -0.249 55.807 56.048 0.014 0.000 1.165 373 H CB -0.170 29.602 29.762 0.015 0.000 1.411 373 H HN -0.008 nan 8.280 nan 0.000 0.569 374 R N -0.229 120.197 120.500 -0.124 0.000 2.769 374 R HA 0.188 4.532 4.340 0.006 0.000 0.117 374 R C 1.258 177.511 176.300 -0.079 0.000 1.152 374 R CA -0.673 55.361 56.100 -0.109 0.000 0.887 374 R CB -0.864 29.392 30.300 -0.075 0.000 1.099 374 R HN 0.095 nan 8.270 nan 0.000 0.398 375 Y N 1.413 121.735 120.300 0.037 0.000 2.293 375 Y HA -0.060 4.494 4.550 0.006 0.000 0.291 375 Y C 0.653 176.584 175.900 0.051 0.000 1.137 375 Y CA 1.489 59.624 58.100 0.058 0.000 1.202 375 Y CB -0.261 38.268 38.460 0.115 0.000 0.990 375 Y HN 0.565 nan 8.280 nan 0.000 0.537 376 N N 0.584 119.385 118.700 0.168 0.000 2.671 376 N HA -0.212 4.531 4.740 0.006 0.000 0.261 376 N C 0.360 175.961 175.510 0.151 0.000 1.053 376 N CA 0.312 53.439 53.050 0.129 0.000 0.732 376 N CB -0.954 37.591 38.487 0.096 0.000 0.887 376 N HN 0.591 nan 8.380 nan 0.000 0.546 377 I N -2.572 118.099 120.570 0.168 0.000 3.956 377 I HA 0.079 4.253 4.170 0.006 0.000 0.333 377 I C 1.616 177.835 176.117 0.170 0.000 1.302 377 I CA -0.501 60.897 61.300 0.163 0.000 1.122 377 I CB 0.048 38.150 38.000 0.170 0.000 1.013 377 I HN 0.165 nan 8.210 nan 0.000 0.405 378 L N 1.936 123.268 121.223 0.181 0.000 1.997 378 L HA -0.246 4.098 4.340 0.006 0.000 0.216 378 L C 2.603 179.678 176.870 0.343 0.000 1.074 378 L CA 2.232 57.211 54.840 0.232 0.000 0.763 378 L CB -0.928 41.239 42.059 0.179 0.000 0.890 378 L HN 0.513 nan 8.230 nan 0.000 0.434 379 E N -1.107 119.296 120.200 0.338 0.000 2.077 379 E HA -0.229 4.125 4.350 0.006 0.000 0.193 379 E C 1.695 178.338 176.600 0.073 0.000 0.989 379 E CA 1.334 57.864 56.400 0.216 0.000 0.800 379 E CB 0.035 29.803 29.700 0.114 0.000 0.746 379 E HN 0.521 nan 8.360 nan 0.000 0.452 380 D N 0.034 120.482 120.400 0.079 0.000 2.117 380 D HA -0.136 4.508 4.640 0.006 0.000 0.197 380 D C 2.063 178.377 176.300 0.023 0.000 0.987 380 D CA 0.980 54.995 54.000 0.026 0.000 0.829 380 D CB -0.092 40.732 40.800 0.040 0.000 0.961 380 D HN 0.137 nan 8.370 nan 0.000 0.460 381 V N 1.454 121.437 119.914 0.115 0.000 2.453 381 V HA -0.164 3.960 4.120 0.006 0.000 0.247 381 V C 2.535 178.718 176.094 0.148 0.000 1.048 381 V CA 1.519 63.937 62.300 0.196 0.000 1.049 381 V CB -0.693 31.326 31.823 0.327 0.000 0.672 381 V HN 0.151 nan 8.190 nan 0.000 0.457 382 A N 0.126 123.041 122.820 0.159 0.000 1.877 382 A HA -0.158 4.166 4.320 0.006 0.000 0.216 382 A C 2.391 179.951 177.584 -0.041 0.000 1.186 382 A CA 2.074 54.194 52.037 0.139 0.000 0.620 382 A CB -0.742 18.420 19.000 0.270 0.000 0.822 382 A HN 0.324 nan 8.150 nan 0.000 0.443 383 V N -0.689 119.155 119.914 -0.117 0.000 2.392 383 V HA -0.339 3.785 4.120 0.006 0.000 0.249 383 V C 2.617 178.561 176.094 -0.250 0.000 1.059 383 V CA 2.059 64.250 62.300 -0.181 0.000 1.051 383 V CB -1.156 30.565 31.823 -0.171 0.000 0.658 383 V HN 0.716 nan 8.190 nan 0.000 0.455 384 C N -0.444 118.648 119.300 -0.348 0.000 2.435 384 C HA -0.092 4.372 4.460 0.006 0.000 0.279 384 C C 2.608 177.142 174.990 -0.760 0.000 1.321 384 C CA 0.891 59.459 59.018 -0.749 0.000 1.752 384 C CB -0.965 26.038 27.740 -1.228 0.000 1.959 384 C HN 0.536 nan 8.230 nan 0.000 0.500 385 M N -0.015 119.391 119.600 -0.324 0.000 2.618 385 M HA 0.060 4.543 4.480 0.006 0.000 0.240 385 M C 0.227 176.485 176.300 -0.070 0.000 1.123 385 M CA 0.797 56.061 55.300 -0.060 0.000 1.060 385 M CB -0.346 32.340 32.600 0.142 0.000 1.535 385 M HN 0.173 nan 8.290 nan 0.000 0.507 386 D N 1.796 122.113 120.400 -0.139 0.000 2.760 386 D HA -0.129 4.515 4.640 0.006 0.000 0.244 386 D C -1.201 175.065 176.300 -0.057 0.000 1.123 386 D CA 0.516 54.452 54.000 -0.108 0.000 0.719 386 D CB -0.864 39.880 40.800 -0.094 0.000 1.045 386 D HN 0.284 nan 8.370 nan 0.000 0.426 387 L N -0.073 121.119 121.223 -0.052 0.000 2.334 387 L HA 0.448 4.792 4.340 0.006 0.000 0.270 387 L C 0.818 177.631 176.870 -0.096 0.000 1.018 387 L CA -1.065 53.768 54.840 -0.011 0.000 0.811 387 L CB 1.122 43.239 42.059 0.097 0.000 1.271 387 L HN -0.072 nan 8.230 nan 0.000 0.443 388 D N 0.878 121.243 120.400 -0.059 0.000 2.416 388 D HA 0.007 4.650 4.640 0.006 0.000 0.240 388 D C 1.074 177.179 176.300 -0.325 0.000 1.250 388 D CA -0.042 53.884 54.000 -0.124 0.000 0.967 388 D CB 0.757 41.543 40.800 -0.024 0.000 1.059 388 D HN 0.623 nan 8.370 nan 0.000 0.512 389 T N 0.673 114.846 114.554 -0.636 0.000 3.194 389 T HA 0.054 4.408 4.350 0.006 0.000 0.251 389 T C 1.300 175.603 174.700 -0.663 0.000 1.132 389 T CA -0.014 61.268 62.100 -1.363 0.000 1.028 389 T CB 0.168 68.224 68.868 -1.353 0.000 0.976 389 T HN 0.093 nan 8.240 nan 0.000 0.535 390 R N 0.726 121.051 120.500 -0.291 0.000 2.300 390 R HA 0.271 4.615 4.340 0.006 0.000 0.199 390 R C 0.681 176.993 176.300 0.019 0.000 0.920 390 R CA 0.203 56.240 56.100 -0.104 0.000 1.046 390 R CB -0.042 30.206 30.300 -0.087 0.000 0.984 390 R HN 0.447 nan 8.270 nan 0.000 0.493 391 T N -0.281 114.326 114.554 0.087 0.000 2.921 391 T HA 0.169 4.523 4.350 0.006 0.000 0.297 391 T C 1.109 175.985 174.700 0.294 0.000 1.013 391 T CA -0.284 61.908 62.100 0.153 0.000 0.990 391 T CB 1.578 70.501 68.868 0.090 0.000 1.023 391 T HN 0.244 nan 8.240 nan 0.000 0.447 392 T N 1.285 115.974 114.554 0.224 0.000 2.788 392 T HA -0.126 4.227 4.350 0.006 0.000 0.268 392 T C 2.160 176.920 174.700 0.099 0.000 1.044 392 T CA 1.777 63.971 62.100 0.157 0.000 1.139 392 T CB -0.745 68.164 68.868 0.067 0.000 0.867 392 T HN 0.710 nan 8.240 nan 0.000 0.454 393 S N 2.204 117.960 115.700 0.093 0.000 2.537 393 S HA -0.094 4.379 4.470 0.006 0.000 0.240 393 S C 2.122 176.770 174.600 0.081 0.000 0.981 393 S CA 0.966 59.205 58.200 0.065 0.000 0.948 393 S CB -0.957 62.274 63.200 0.052 0.000 0.759 393 S HN 0.797 nan 8.310 nan 0.000 0.531 394 S N 1.585 117.370 115.700 0.142 0.000 2.527 394 S HA 0.235 4.709 4.470 0.006 0.000 0.222 394 S C 0.959 175.643 174.600 0.141 0.000 0.985 394 S CA 0.230 58.522 58.200 0.154 0.000 0.921 394 S CB -0.947 62.381 63.200 0.212 0.000 0.772 394 S HN 0.620 nan 8.310 nan 0.000 0.529 395 L N 1.040 122.315 121.223 0.087 0.000 3.717 395 L HA -0.171 4.173 4.340 0.006 0.000 0.414 395 L C 1.614 178.489 176.870 0.009 0.000 1.228 395 L CA 0.653 55.480 54.840 -0.021 0.000 0.918 395 L CB -2.391 39.666 42.059 -0.005 0.000 1.865 395 L HN 0.739 nan 8.230 nan 0.000 0.922 396 W N -0.037 121.274 121.300 0.019 0.000 2.363 396 W HA -0.146 4.518 4.660 0.006 0.000 0.296 396 W C 1.707 178.244 176.519 0.030 0.000 1.212 396 W CA 1.315 58.674 57.345 0.023 0.000 1.260 396 W CB -0.703 28.767 29.460 0.017 0.000 1.131 396 W HN 0.294 nan 8.180 nan 0.000 0.530 397 K N 1.074 121.059 120.400 -0.693 0.000 2.057 397 K HA -0.161 4.162 4.320 0.006 0.000 0.207 397 K C 1.523 177.994 176.600 -0.215 0.000 1.049 397 K CA 2.349 58.269 56.287 -0.612 0.000 0.931 397 K CB -0.365 31.625 32.500 -0.851 0.000 0.714 397 K HN 0.069 nan 8.250 nan 0.000 0.440 398 D N 0.739 121.033 120.400 -0.178 0.000 2.097 398 D HA -0.119 4.525 4.640 0.006 0.000 0.197 398 D C 1.712 178.007 176.300 -0.007 0.000 0.984 398 D CA 1.181 55.132 54.000 -0.082 0.000 0.826 398 D CB 0.020 40.778 40.800 -0.070 0.000 0.973 398 D HN 0.114 nan 8.370 nan 0.000 0.460 399 K N 0.604 121.025 120.400 0.035 0.000 2.026 399 K HA -0.067 4.256 4.320 0.006 0.000 0.208 399 K C 2.242 178.909 176.600 0.112 0.000 1.048 399 K CA 1.209 57.546 56.287 0.083 0.000 0.929 399 K CB -0.220 32.348 32.500 0.114 0.000 0.713 399 K HN 0.094 nan 8.250 nan 0.000 0.439 400 A N 1.668 124.575 122.820 0.145 0.000 1.858 400 A HA -0.141 4.183 4.320 0.006 0.000 0.216 400 A C 2.424 180.097 177.584 0.148 0.000 1.190 400 A CA 1.963 54.115 52.037 0.192 0.000 0.617 400 A CB -0.852 18.296 19.000 0.247 0.000 0.827 400 A HN 0.348 nan 8.150 nan 0.000 0.443 401 A N -0.662 122.203 122.820 0.075 0.000 1.978 401 A HA -0.028 4.296 4.320 0.006 0.000 0.220 401 A C 2.228 179.826 177.584 0.023 0.000 1.170 401 A CA 1.897 53.952 52.037 0.031 0.000 0.636 401 A CB -0.891 18.090 19.000 -0.032 0.000 0.810 401 A HN 0.403 nan 8.150 nan 0.000 0.448 402 V N 0.231 120.166 119.914 0.036 0.000 2.307 402 V HA -0.186 3.938 4.120 0.006 0.000 0.245 402 V C 2.482 178.609 176.094 0.055 0.000 1.045 402 V CA 2.042 64.365 62.300 0.038 0.000 1.024 402 V CB -0.660 31.194 31.823 0.051 0.000 0.651 402 V HN 0.530 nan 8.190 nan 0.000 0.449 403 E N -0.088 120.176 120.200 0.107 0.000 2.204 403 E HA -0.097 4.256 4.350 0.006 0.000 0.194 403 E C 2.113 178.752 176.600 0.066 0.000 0.989 403 E CA 1.041 57.544 56.400 0.172 0.000 0.824 403 E CB -0.210 29.605 29.700 0.192 0.000 0.756 403 E HN 0.582 nan 8.360 nan 0.000 0.477 404 I N 1.379 122.004 120.570 0.091 0.000 2.353 404 I HA -0.210 3.964 4.170 0.006 0.000 0.248 404 I C 2.104 178.185 176.117 -0.060 0.000 1.119 404 I CA 0.715 62.062 61.300 0.078 0.000 1.417 404 I CB -0.250 37.860 38.000 0.183 0.000 1.078 404 I HN 0.067 nan 8.210 nan 0.000 0.421 405 N N 0.691 119.355 118.700 -0.059 0.000 2.270 405 N HA -0.134 4.610 4.740 0.006 0.000 0.181 405 N C 1.900 177.342 175.510 -0.114 0.000 1.016 405 N CA 0.974 53.968 53.050 -0.093 0.000 0.870 405 N CB 0.039 38.487 38.487 -0.065 0.000 0.979 405 N HN 0.202 nan 8.380 nan 0.000 0.431 406 L N 1.461 122.606 121.223 -0.129 0.000 2.141 406 L HA 0.011 4.355 4.340 0.006 0.000 0.209 406 L C 2.203 178.894 176.870 -0.299 0.000 1.094 406 L CA 1.171 55.895 54.840 -0.194 0.000 0.763 406 L CB -0.558 41.363 42.059 -0.230 0.000 0.908 406 L HN 0.013 nan 8.230 nan 0.000 0.437 407 A N -1.247 121.328 122.820 -0.407 0.000 1.898 407 A HA -0.113 4.210 4.320 0.006 0.000 0.216 407 A C 2.228 179.713 177.584 -0.165 0.000 1.181 407 A CA 1.796 53.556 52.037 -0.461 0.000 0.620 407 A CB -0.973 17.471 19.000 -0.926 0.000 0.819 407 A HN 0.269 nan 8.150 nan 0.000 0.442 408 V N -0.003 119.831 119.914 -0.134 0.000 2.343 408 V HA -0.247 3.877 4.120 0.006 0.000 0.247 408 V C 2.556 178.619 176.094 -0.052 0.000 1.051 408 V CA 1.932 64.187 62.300 -0.075 0.000 1.036 408 V CB -0.750 30.943 31.823 -0.216 0.000 0.654 408 V HN 0.551 nan 8.190 nan 0.000 0.451 409 L N -0.591 120.580 121.223 -0.086 0.000 2.027 409 L HA -0.190 4.153 4.340 0.006 0.000 0.206 409 L C 2.626 179.509 176.870 0.021 0.000 1.074 409 L CA 2.095 56.907 54.840 -0.047 0.000 0.745 409 L CB -0.741 41.286 42.059 -0.052 0.000 0.898 409 L HN 0.464 nan 8.230 nan 0.000 0.433 410 H N -0.524 118.486 119.070 -0.100 0.000 2.353 410 H HA -0.134 4.426 4.556 0.007 0.000 0.300 410 H C 2.314 177.623 175.328 -0.032 0.000 1.090 410 H CA 1.945 57.933 56.048 -0.099 0.000 1.327 410 H CB 0.076 29.714 29.762 -0.206 0.000 1.383 410 H HN 0.152 nan 8.280 nan 0.000 0.508 411 S N -0.427 115.240 115.700 -0.054 0.000 2.355 411 S HA -0.116 4.358 4.470 0.006 0.000 0.222 411 S C 1.991 176.593 174.600 0.004 0.000 1.031 411 S CA 1.269 59.438 58.200 -0.051 0.000 0.993 411 S CB -0.508 62.748 63.200 0.092 0.000 0.859 411 S HN 0.397 nan 8.310 nan 0.000 0.453 412 F N 1.933 121.823 119.950 -0.099 0.000 2.186 412 F HA -0.127 4.403 4.527 0.006 0.000 0.299 412 F C 2.795 178.542 175.800 -0.089 0.000 1.090 412 F CA 1.009 58.972 58.000 -0.061 0.000 1.307 412 F CB -0.248 38.742 39.000 -0.017 0.000 1.019 412 F HN 0.213 nan 8.300 nan 0.000 0.489 413 Q N -0.303 119.534 119.800 0.062 0.000 2.167 413 Q HA -0.180 4.163 4.340 0.006 0.000 0.202 413 Q C 2.271 178.210 176.000 -0.102 0.000 0.970 413 Q CA 0.838 56.625 55.803 -0.026 0.000 0.855 413 Q CB -0.196 28.517 28.738 -0.041 0.000 0.911 413 Q HN 0.379 nan 8.270 nan 0.000 0.438 414 L N 0.254 121.360 121.223 -0.195 0.000 2.093 414 L HA -0.034 4.310 4.340 0.006 0.000 0.208 414 L C 1.845 178.629 176.870 -0.143 0.000 1.085 414 L CA 1.653 56.359 54.840 -0.223 0.000 0.755 414 L CB -0.759 41.075 42.059 -0.375 0.000 0.904 414 L HN 0.145 nan 8.230 nan 0.000 0.435 415 A N -1.173 121.563 122.820 -0.140 0.000 2.251 415 A HA -0.007 4.317 4.320 0.006 0.000 0.209 415 A C 0.921 178.439 177.584 -0.110 0.000 1.187 415 A CA 0.026 51.982 52.037 -0.134 0.000 0.823 415 A CB -0.066 18.819 19.000 -0.192 0.000 0.846 415 A HN 0.437 nan 8.150 nan 0.000 0.486 416 K N -1.135 119.213 120.400 -0.087 0.000 3.167 416 K HA -0.118 4.206 4.320 0.006 0.000 0.272 416 K C -0.548 176.016 176.600 -0.059 0.000 1.137 416 K CA 0.829 57.076 56.287 -0.066 0.000 0.800 416 K CB -2.662 29.800 32.500 -0.063 0.000 1.253 416 K HN 0.318 nan 8.250 nan 0.000 0.497 417 V N 1.089 120.975 119.914 -0.048 0.000 2.483 417 V HA 0.228 4.352 4.120 0.006 0.000 0.295 417 V C 0.941 177.110 176.094 0.125 0.000 1.035 417 V CA -0.683 61.613 62.300 -0.006 0.000 0.896 417 V CB 1.959 33.692 31.823 -0.151 0.000 0.986 417 V HN 0.221 nan 8.190 nan 0.000 0.447 418 T N 5.647 120.248 114.554 0.080 0.000 2.902 418 T HA 0.427 4.781 4.350 0.006 0.000 0.301 418 T C -0.326 174.487 174.700 0.189 0.000 1.012 418 T CA 0.662 62.753 62.100 -0.015 0.000 1.151 418 T CB 0.148 68.845 68.868 -0.285 0.000 0.946 418 T HN 0.489 nan 8.240 nan 0.000 0.542 419 I N 2.863 123.487 120.570 0.090 0.000 2.908 419 I HA 0.618 4.792 4.170 0.006 0.000 0.300 419 I C -1.638 174.536 176.117 0.095 0.000 1.385 419 I CA -0.792 60.578 61.300 0.116 0.000 1.004 419 I CB 2.239 40.238 38.000 -0.001 0.000 1.309 419 I HN 0.434 nan 8.210 nan 0.000 0.449 420 V N 5.910 125.912 119.914 0.147 0.000 2.569 420 V HA 0.523 4.647 4.120 0.006 0.000 0.301 420 V C -1.243 174.894 176.094 0.072 0.000 1.044 420 V CA -0.358 62.026 62.300 0.140 0.000 0.874 420 V CB 1.920 33.909 31.823 0.275 0.000 1.002 420 V HN 0.922 nan 8.190 nan 0.000 0.424 421 D N 4.407 124.819 120.400 0.021 0.000 2.357 421 D HA 0.109 4.753 4.640 0.006 0.000 0.242 421 D C 1.384 177.647 176.300 -0.062 0.000 1.153 421 D CA 0.305 54.283 54.000 -0.037 0.000 0.918 421 D CB 0.468 41.209 40.800 -0.099 0.000 1.181 421 D HN 0.746 nan 8.370 nan 0.000 0.435 422 H N 0.307 119.285 119.070 -0.154 0.000 2.456 422 H HA -0.165 4.395 4.556 0.006 0.000 0.296 422 H C 0.912 176.156 175.328 -0.139 0.000 1.079 422 H CA 1.358 57.299 56.048 -0.178 0.000 1.322 422 H CB -0.509 29.099 29.762 -0.257 0.000 1.388 422 H HN 0.526 nan 8.280 nan 0.000 0.538 423 H N 1.188 120.044 119.070 -0.356 0.000 2.333 423 H HA 0.172 4.732 4.556 0.006 0.000 0.302 423 H C 2.536 177.838 175.328 -0.044 0.000 1.075 423 H CA 1.377 57.317 56.048 -0.180 0.000 1.348 423 H CB -0.362 29.262 29.762 -0.230 0.000 1.393 423 H HN 0.532 nan 8.280 nan 0.000 0.509 424 A N 1.099 123.968 122.820 0.081 0.000 1.930 424 A HA -0.006 4.318 4.320 0.006 0.000 0.217 424 A C 2.639 180.293 177.584 0.115 0.000 1.175 424 A CA 1.503 53.594 52.037 0.090 0.000 0.627 424 A CB -0.653 18.391 19.000 0.074 0.000 0.815 424 A HN 0.416 nan 8.150 nan 0.000 0.443 425 A N -0.174 122.712 122.820 0.110 0.000 1.898 425 A HA -0.066 4.257 4.320 0.006 0.000 0.216 425 A C 2.428 180.107 177.584 0.159 0.000 1.181 425 A CA 2.368 54.487 52.037 0.136 0.000 0.620 425 A CB -1.259 17.807 19.000 0.111 0.000 0.819 425 A HN 0.706 nan 8.150 nan 0.000 0.442 426 T N -2.978 111.660 114.554 0.140 0.000 2.904 426 T HA -0.040 4.314 4.350 0.006 0.000 0.267 426 T C 1.681 176.514 174.700 0.223 0.000 1.059 426 T CA 1.242 63.448 62.100 0.177 0.000 1.137 426 T CB -0.577 68.370 68.868 0.132 0.000 0.879 426 T HN 0.025 nan 8.240 nan 0.000 0.467 427 V N 2.820 122.839 119.914 0.176 0.000 2.343 427 V HA -0.160 3.964 4.120 0.006 0.000 0.247 427 V C 3.202 179.388 176.094 0.155 0.000 1.051 427 V CA 2.119 64.510 62.300 0.152 0.000 1.036 427 V CB -0.805 31.087 31.823 0.115 0.000 0.654 427 V HN 0.803 nan 8.190 nan 0.000 0.451 428 S N -0.526 115.275 115.700 0.168 0.000 2.428 428 S HA -0.176 4.297 4.470 0.006 0.000 0.230 428 S C 1.932 176.655 174.600 0.206 0.000 1.014 428 S CA 1.281 59.579 58.200 0.163 0.000 0.957 428 S CB -0.657 62.641 63.200 0.163 0.000 0.784 428 S HN 0.528 nan 8.310 nan 0.000 0.499 429 F N 1.910 121.923 119.950 0.106 0.000 2.325 429 F HA 0.177 4.707 4.527 0.006 0.000 0.299 429 F C 2.146 178.033 175.800 0.145 0.000 1.090 429 F CA 0.944 59.023 58.000 0.131 0.000 1.392 429 F CB -0.250 38.809 39.000 0.098 0.000 1.053 429 F HN 0.108 nan 8.300 nan 0.000 0.521 430 M N 0.086 119.778 119.600 0.153 0.000 2.175 430 M HA -0.142 4.342 4.480 0.006 0.000 0.264 430 M C 2.185 178.468 176.300 -0.027 0.000 1.063 430 M CA 1.387 56.719 55.300 0.054 0.000 1.119 430 M CB -1.136 31.537 32.600 0.121 0.000 1.377 430 M HN 0.060 nan 8.290 nan 0.000 0.415 431 K N -0.266 120.145 120.400 0.019 0.000 2.057 431 K HA -0.197 4.127 4.320 0.006 0.000 0.206 431 K C 1.996 178.579 176.600 -0.027 0.000 1.050 431 K CA 1.707 58.000 56.287 0.009 0.000 0.935 431 K CB -0.609 31.919 32.500 0.047 0.000 0.715 431 K HN 0.364 nan 8.250 nan 0.000 0.439 432 H N 0.087 119.065 119.070 -0.153 0.000 2.353 432 H HA -0.005 4.554 4.556 0.006 0.000 0.300 432 H C 1.704 176.855 175.328 -0.295 0.000 1.090 432 H CA 2.102 58.023 56.048 -0.211 0.000 1.327 432 H CB -0.198 29.401 29.762 -0.273 0.000 1.383 432 H HN 0.171 nan 8.280 nan 0.000 0.508 433 L N -0.151 120.747 121.223 -0.541 0.000 2.042 433 L HA -0.176 4.168 4.340 0.006 0.000 0.210 433 L C 2.292 178.990 176.870 -0.287 0.000 1.076 433 L CA 1.821 56.372 54.840 -0.481 0.000 0.749 433 L CB -0.461 41.396 42.059 -0.336 0.000 0.893 433 L HN 0.395 nan 8.230 nan 0.000 0.432 434 D N -0.053 120.234 120.400 -0.189 0.000 2.117 434 D HA -0.176 4.467 4.640 0.006 0.000 0.198 434 D C 1.868 178.096 176.300 -0.120 0.000 0.982 434 D CA 1.143 55.073 54.000 -0.116 0.000 0.828 434 D CB 0.019 40.781 40.800 -0.064 0.000 0.967 434 D HN 0.133 nan 8.370 nan 0.000 0.464 435 N N 0.532 119.151 118.700 -0.134 0.000 2.166 435 N HA -0.121 4.623 4.740 0.006 0.000 0.186 435 N C 1.490 176.922 175.510 -0.131 0.000 1.019 435 N CA 0.826 53.820 53.050 -0.093 0.000 0.856 435 N CB -0.199 38.268 38.487 -0.034 0.000 0.993 435 N HN 0.364 nan 8.380 nan 0.000 0.426 436 E N 0.346 120.386 120.200 -0.267 0.000 2.299 436 E HA -0.088 4.265 4.350 0.006 0.000 0.193 436 E C 1.745 178.246 176.600 -0.164 0.000 0.998 436 E CA 0.284 56.529 56.400 -0.257 0.000 0.851 436 E CB 0.062 29.495 29.700 -0.446 0.000 0.795 436 E HN 0.328 nan 8.360 nan 0.000 0.492 437 Q N 1.676 121.390 119.800 -0.144 0.000 2.016 437 Q HA -0.091 4.253 4.340 0.006 0.000 0.200 437 Q C 1.784 177.741 176.000 -0.071 0.000 0.978 437 Q CA 1.663 57.410 55.803 -0.092 0.000 0.833 437 Q CB 0.055 28.749 28.738 -0.074 0.000 0.895 437 Q HN 0.091 nan 8.270 nan 0.000 0.427 438 K N -0.556 119.806 120.400 -0.064 0.000 2.097 438 K HA -0.021 4.303 4.320 0.006 0.000 0.205 438 K C 2.009 178.584 176.600 -0.041 0.000 1.050 438 K CA 1.075 57.335 56.287 -0.045 0.000 0.938 438 K CB -0.172 32.307 32.500 -0.035 0.000 0.718 438 K HN 0.247 nan 8.250 nan 0.000 0.442 439 A N 1.294 124.088 122.820 -0.044 0.000 1.898 439 A HA -0.056 4.268 4.320 0.006 0.000 0.214 439 A C 1.839 179.401 177.584 -0.036 0.000 1.183 439 A CA 1.083 53.105 52.037 -0.025 0.000 0.622 439 A CB 0.001 19.001 19.000 0.000 0.000 0.824 439 A HN 0.154 nan 8.150 nan 0.000 0.444 440 R N -2.529 117.935 120.500 -0.061 0.000 2.487 440 R HA 0.265 4.609 4.340 0.006 0.000 0.272 440 R C 0.775 177.032 176.300 -0.072 0.000 0.928 440 R CA 0.548 56.612 56.100 -0.061 0.000 1.077 440 R CB 0.702 30.960 30.300 -0.070 0.000 1.265 440 R HN 0.709 nan 8.270 nan 0.000 0.537 441 G N 1.077 109.830 108.800 -0.079 0.000 2.171 441 G HA2 -0.132 3.832 3.960 0.006 0.000 0.238 441 G HA3 -0.132 3.832 3.960 0.006 0.000 0.238 441 G C 0.188 175.044 174.900 -0.074 0.000 1.039 441 G CA 0.017 45.061 45.100 -0.093 0.000 0.759 441 G HN 0.725 nan 8.290 nan 0.000 0.501 442 G N -2.381 106.389 108.800 -0.048 0.000 2.353 442 G HA2 0.519 4.483 3.960 0.006 0.000 0.308 442 G HA3 0.519 4.483 3.960 0.006 0.000 0.308 442 G C -0.657 174.250 174.900 0.012 0.000 1.418 442 G CA 0.357 45.462 45.100 0.009 0.000 0.966 442 G HN 2.013 nan 8.290 nan 0.000 0.638 443 C N 2.272 121.603 119.300 0.052 0.000 2.705 443 C HA 0.747 5.211 4.460 0.006 0.000 0.369 443 C C -2.453 172.517 174.990 -0.033 0.000 1.069 443 C CA -1.335 57.665 59.018 -0.030 0.000 1.260 443 C CB 1.366 29.011 27.740 -0.158 0.000 1.764 443 C HN 0.726 nan 8.230 nan 0.000 0.469 444 P HA 0.344 nan 4.420 nan 0.000 0.266 444 P C -0.617 176.581 177.300 -0.170 0.000 1.215 444 P CA 0.691 63.416 63.100 -0.624 0.000 0.763 444 P CB 0.798 31.899 31.700 -0.998 0.000 0.806 445 A N 3.010 125.808 122.820 -0.037 0.000 2.422 445 A HA 0.399 4.723 4.320 0.006 0.000 0.302 445 A C -0.838 176.812 177.584 0.109 0.000 1.041 445 A CA -0.571 51.532 52.037 0.110 0.000 0.708 445 A CB 1.260 20.438 19.000 0.297 0.000 1.257 445 A HN 0.436 nan 8.150 nan 0.000 0.414 446 D N 2.230 122.686 120.400 0.093 0.000 2.467 446 D HA 0.109 4.753 4.640 0.006 0.000 0.220 446 D C 0.821 177.272 176.300 0.252 0.000 1.103 446 D CA -0.468 53.631 54.000 0.165 0.000 0.886 446 D CB 0.348 41.199 40.800 0.085 0.000 1.025 446 D HN 0.634 nan 8.370 nan 0.000 0.514 447 W N 4.198 125.551 121.300 0.090 0.000 2.290 447 W HA -0.349 4.315 4.660 0.007 0.000 0.318 447 W C 2.003 178.550 176.519 0.047 0.000 1.248 447 W CA 2.555 59.928 57.345 0.047 0.000 1.263 447 W CB 0.003 29.465 29.460 0.003 0.000 1.147 447 W HN 0.557 nan 8.180 nan 0.000 0.494 448 A N -1.158 121.934 122.820 0.453 0.000 1.978 448 A HA -0.215 4.109 4.320 0.006 0.000 0.220 448 A C 1.455 179.011 177.584 -0.048 0.000 1.170 448 A CA 1.740 53.915 52.037 0.230 0.000 0.636 448 A CB -1.344 17.799 19.000 0.239 0.000 0.810 448 A HN 0.553 nan 8.150 nan 0.000 0.448 449 W N -1.116 120.155 121.300 -0.049 0.000 2.942 449 W HA 0.240 4.904 4.660 0.006 0.000 0.263 449 W C 1.713 178.121 176.519 -0.186 0.000 1.296 449 W CA -0.269 57.024 57.345 -0.087 0.000 1.504 449 W CB -0.020 29.419 29.460 -0.035 0.000 1.096 449 W HN 0.134 nan 8.180 nan 0.000 0.639 450 I N -0.249 120.276 120.570 -0.076 0.000 2.480 450 I HA -0.027 4.147 4.170 0.006 0.000 0.251 450 I C 0.684 176.593 176.117 -0.348 0.000 1.124 450 I CA 0.680 61.805 61.300 -0.291 0.000 1.444 450 I CB -1.257 36.501 38.000 -0.404 0.000 1.098 450 I HN -0.399 nan 8.210 nan 0.000 0.428 451 V N 3.752 123.375 119.914 -0.486 0.000 2.555 451 V HA 0.113 4.237 4.120 0.006 0.000 0.286 451 V C -1.984 173.939 176.094 -0.285 0.000 1.044 451 V CA -1.137 60.878 62.300 -0.475 0.000 1.026 451 V CB 0.227 31.535 31.823 -0.858 0.000 0.981 451 V HN 0.112 nan 8.190 nan 0.000 0.480 452 P HA 0.118 nan 4.420 nan 0.000 0.269 452 P C -1.788 175.384 177.300 -0.214 0.000 1.209 452 P CA -1.099 61.884 63.100 -0.196 0.000 0.776 452 P CB 0.072 31.653 31.700 -0.198 0.000 0.876 453 P HA -0.050 nan 4.420 nan 0.000 0.231 453 P C 0.200 177.384 177.300 -0.193 0.000 1.158 453 P CA 1.253 64.235 63.100 -0.196 0.000 0.763 453 P CB -0.043 31.543 31.700 -0.190 0.000 0.805 454 I N -7.375 113.038 120.570 -0.261 0.000 3.074 454 I HA 0.440 4.614 4.170 0.006 0.000 0.310 454 I C -0.000 175.975 176.117 -0.236 0.000 1.153 454 I CA -1.354 59.803 61.300 -0.238 0.000 0.993 454 I CB 1.792 39.630 38.000 -0.270 0.000 1.237 454 I HN -0.441 nan 8.210 nan 0.000 0.443 455 S N 1.872 117.500 115.700 -0.121 0.000 3.462 455 S HA -0.204 4.269 4.470 0.006 0.000 0.370 455 S C 1.371 175.959 174.600 -0.021 0.000 1.028 455 S CA 0.839 59.025 58.200 -0.023 0.000 1.119 455 S CB -1.635 61.638 63.200 0.123 0.000 0.906 455 S HN 1.239 nan 8.310 nan 0.000 0.471 456 G N 2.326 111.083 108.800 -0.072 0.000 2.631 456 G HA2 -0.330 3.634 3.960 0.006 0.000 0.219 456 G HA3 -0.330 3.634 3.960 0.006 0.000 0.219 456 G C 1.452 176.246 174.900 -0.178 0.000 1.214 456 G CA 1.505 46.580 45.100 -0.041 0.000 0.785 456 G HN 1.248 nan 8.290 nan 0.000 0.596 457 S N 0.313 115.618 115.700 -0.658 0.000 2.547 457 S HA 0.163 4.637 4.470 0.006 0.000 0.235 457 S C 2.070 176.580 174.600 -0.151 0.000 0.980 457 S CA 0.664 58.282 58.200 -0.970 0.000 0.941 457 S CB -0.185 62.299 63.200 -1.194 0.000 0.763 457 S HN 0.327 nan 8.310 nan 0.000 0.532 458 L N 1.834 123.042 121.223 -0.025 0.000 2.492 458 L HA 0.137 4.481 4.340 0.006 0.000 0.223 458 L C 1.277 178.269 176.870 0.204 0.000 1.132 458 L CA 0.491 55.401 54.840 0.115 0.000 0.850 458 L CB -0.799 41.354 42.059 0.157 0.000 0.966 458 L HN 0.467 nan 8.230 nan 0.000 0.454 459 T N -3.933 110.749 114.554 0.213 0.000 2.902 459 T HA 0.285 4.639 4.350 0.006 0.000 0.283 459 T C -1.619 173.241 174.700 0.266 0.000 1.009 459 T CA -2.015 60.235 62.100 0.251 0.000 1.051 459 T CB 1.764 70.756 68.868 0.206 0.000 0.999 459 T HN -0.167 nan 8.240 nan 0.000 0.474 460 P HA -0.070 nan 4.420 nan 0.000 0.222 460 P C 1.712 179.200 177.300 0.314 0.000 1.147 460 P CA 0.827 64.120 63.100 0.321 0.000 0.790 460 P CB -0.282 31.555 31.700 0.229 0.000 0.780 461 V N -4.144 115.906 119.914 0.227 0.000 2.667 461 V HA -0.154 3.970 4.120 0.006 0.000 0.252 461 V C 2.356 178.530 176.094 0.134 0.000 1.065 461 V CA 0.949 63.354 62.300 0.176 0.000 1.083 461 V CB -2.165 29.696 31.823 0.062 0.000 0.692 461 V HN -0.110 nan 8.190 nan 0.000 0.468 462 F N 1.775 121.671 119.950 -0.090 0.000 2.171 462 F HA -0.151 4.380 4.527 0.006 0.000 0.300 462 F C 2.438 178.323 175.800 0.141 0.000 1.090 462 F CA 2.112 60.067 58.000 -0.075 0.000 1.293 462 F CB -0.186 38.632 39.000 -0.303 0.000 1.013 462 F HN 0.272 nan 8.300 nan 0.000 0.486 463 H N -0.643 118.791 119.070 0.607 0.000 2.547 463 H HA 0.107 4.666 4.556 0.006 0.000 0.274 463 H C 0.084 175.678 175.328 0.443 0.000 1.024 463 H CA 0.246 56.602 56.048 0.514 0.000 1.155 463 H CB -0.350 29.669 29.762 0.427 0.000 1.344 463 H HN 0.277 nan 8.280 nan 0.000 0.598 464 Q N 1.778 121.859 119.800 0.467 0.000 2.341 464 Q HA 0.192 4.536 4.340 0.006 0.000 0.268 464 Q C -0.627 175.608 176.000 0.392 0.000 1.013 464 Q CA -0.530 55.496 55.803 0.373 0.000 0.798 464 Q CB 1.043 29.966 28.738 0.310 0.000 1.253 464 Q HN 0.223 nan 8.270 nan 0.000 0.457 465 E N 3.223 123.597 120.200 0.291 0.000 2.408 465 E HA 0.316 4.670 4.350 0.006 0.000 0.259 465 E C -0.475 176.260 176.600 0.225 0.000 1.110 465 E CA 0.251 56.778 56.400 0.212 0.000 0.929 465 E CB 0.819 30.613 29.700 0.158 0.000 0.971 465 E HN 0.598 nan 8.360 nan 0.000 0.438 466 M N 0.977 120.705 119.600 0.214 0.000 2.484 466 M HA 0.336 4.820 4.480 0.006 0.000 0.289 466 M C -1.334 175.078 176.300 0.186 0.000 1.206 466 M CA -0.936 54.500 55.300 0.227 0.000 0.892 466 M CB 2.423 35.211 32.600 0.313 0.000 1.712 466 M HN 0.135 nan 8.290 nan 0.000 0.462 467 V N 1.614 121.652 119.914 0.207 0.000 2.398 467 V HA 0.412 4.536 4.120 0.006 0.000 0.286 467 V C -0.568 175.685 176.094 0.265 0.000 1.026 467 V CA -0.666 61.790 62.300 0.260 0.000 0.868 467 V CB 1.446 33.468 31.823 0.332 0.000 0.982 467 V HN 0.884 nan 8.190 nan 0.000 0.443 468 N N 3.806 122.643 118.700 0.228 0.000 2.372 468 N HA 0.689 5.433 4.740 0.006 0.000 0.291 468 N C -1.532 174.097 175.510 0.198 0.000 1.024 468 N CA -0.434 52.666 53.050 0.083 0.000 0.873 468 N CB 1.654 40.188 38.487 0.078 0.000 1.206 468 N HN 0.736 nan 8.380 nan 0.000 0.486 469 Y N 0.794 121.118 120.300 0.040 0.000 2.689 469 Y HA 0.513 5.066 4.550 0.006 0.000 0.333 469 Y C -1.250 174.657 175.900 0.011 0.000 1.208 469 Y CA -1.211 56.906 58.100 0.028 0.000 1.055 469 Y CB 0.868 39.346 38.460 0.031 0.000 1.304 469 Y HN 0.154 nan 8.280 nan 0.000 0.455 470 I N 3.396 124.054 120.570 0.147 0.000 2.312 470 I HA 0.396 4.570 4.170 0.006 0.000 0.290 470 I C -0.833 175.342 176.117 0.098 0.000 1.008 470 I CA -0.439 60.894 61.300 0.056 0.000 1.226 470 I CB 1.015 39.043 38.000 0.046 0.000 1.371 470 I HN 0.409 nan 8.210 nan 0.000 0.468 471 L N 5.041 126.288 121.223 0.040 0.000 2.342 471 L HA 0.517 4.861 4.340 0.006 0.000 0.271 471 L C -0.012 176.849 176.870 -0.014 0.000 1.008 471 L CA -0.483 54.387 54.840 0.050 0.000 0.818 471 L CB 2.158 44.248 42.059 0.051 0.000 1.296 471 L HN 0.509 nan 8.230 nan 0.000 0.427 472 S N 2.111 117.813 115.700 0.003 0.000 2.537 472 S HA 0.620 5.094 4.470 0.006 0.000 0.301 472 S C -2.510 172.086 174.600 -0.005 0.000 1.092 472 S CA -1.469 56.716 58.200 -0.025 0.000 1.048 472 S CB 1.696 64.900 63.200 0.006 0.000 1.053 472 S HN 0.245 nan 8.310 nan 0.000 0.501 473 P HA 0.355 nan 4.420 nan 0.000 0.267 473 P C -1.342 175.807 177.300 -0.250 0.000 1.201 473 P CA 0.009 62.991 63.100 -0.197 0.000 0.775 473 P CB 0.493 32.017 31.700 -0.293 0.000 0.854 474 A N 1.678 124.321 122.820 -0.295 0.000 2.606 474 A HA 0.670 4.993 4.320 0.006 0.000 0.293 474 A C -1.589 175.781 177.584 -0.357 0.000 1.082 474 A CA -0.545 51.313 52.037 -0.299 0.000 0.685 474 A CB 0.825 19.737 19.000 -0.147 0.000 1.284 474 A HN 0.363 nan 8.150 nan 0.000 0.408 475 F N 1.251 121.102 119.950 -0.165 0.000 2.405 475 F HA 0.577 5.107 4.527 0.005 0.000 0.355 475 F C 0.970 176.653 175.800 -0.196 0.000 1.121 475 F CA -0.014 57.883 58.000 -0.171 0.000 1.112 475 F CB 1.536 40.382 39.000 -0.256 0.000 1.126 475 F HN 0.524 nan 8.300 nan 0.000 0.481 476 R N 2.067 122.587 120.500 0.033 0.000 2.854 476 R HA 0.471 4.815 4.340 0.006 0.000 0.271 476 R C -1.428 174.830 176.300 -0.070 0.000 0.996 476 R CA -1.194 54.868 56.100 -0.064 0.000 0.961 476 R CB 1.643 31.943 30.300 -0.001 0.000 1.182 476 R HN 0.415 nan 8.270 nan 0.000 0.479 477 Y N 1.269 121.584 120.300 0.026 0.000 2.301 477 Y HA 0.152 4.706 4.550 0.007 0.000 0.328 477 Y C 0.480 176.374 175.900 -0.010 0.000 1.242 477 Y CA 0.071 58.174 58.100 0.005 0.000 1.323 477 Y CB 1.003 39.454 38.460 -0.015 0.000 1.266 477 Y HN 0.440 nan 8.280 nan 0.000 0.527 478 Q N 1.232 121.122 119.800 0.150 0.000 2.418 478 Q HA 0.603 4.947 4.340 0.006 0.000 0.282 478 Q C -3.128 172.841 176.000 -0.051 0.000 1.044 478 Q CA -2.535 53.289 55.803 0.034 0.000 0.813 478 Q CB 1.909 30.658 28.738 0.019 0.000 1.428 478 Q HN 0.276 nan 8.270 nan 0.000 0.402 479 P HA 0.019 nan 4.420 nan 0.000 0.267 479 P C -0.883 176.201 177.300 -0.360 0.000 1.200 479 P CA 0.095 63.067 63.100 -0.214 0.000 0.772 479 P CB 0.401 31.992 31.700 -0.183 0.000 0.855 480 D N 4.022 124.069 120.400 -0.588 0.000 2.455 480 D HA -0.020 4.624 4.640 0.006 0.000 0.241 480 D C -0.940 174.758 176.300 -1.004 0.000 1.138 480 D CA -0.861 52.482 54.000 -1.094 0.000 0.877 480 D CB 0.422 40.065 40.800 -1.930 0.000 1.187 480 D HN 0.295 nan 8.370 nan 0.000 0.451 481 P HA -0.129 nan 4.420 nan 0.000 0.219 481 P C 0.474 177.479 177.300 -0.492 0.000 1.146 481 P CA 1.007 63.739 63.100 -0.614 0.000 0.808 481 P CB 0.071 31.355 31.700 -0.692 0.000 0.779 482 W N 0.000 120.904 121.300 -0.661 0.000 2.388 482 W HA 0.000 4.663 4.660 0.006 0.000 0.303 482 W CA 0.000 57.117 57.345 -0.380 0.000 1.226 482 W CB 0.000 29.241 29.460 -0.365 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535