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 1gl7_1_E DATA FIRST_RESID 76 DATA SEQUENCE QGEFGGAPFK RFLRGTRIVS GGKLKRMTRE KAKQVTVAGV PMPRDAEPRH DATA SEQUENCE LLVNGATGTG KSVLLRELAY TGLLRGDRMV IVDPNGDMLS KFGRDKDIIL DATA SEQUENCE NPYDQRTKGW SFFNEIRNDY DWQRYALSVV PRGKTDEAEE WASYGRLLLR DATA SEQUENCE ETAKKLALIG TPSMRELFHW TTIATFDDLR GFLEGTLAES LFAGSNEASK DATA SEQUENCE ALTSARFVLS DKLPEHVTMP DGDFSIRSWL EDPNGGNLFI TWREDMGPAL DATA SEQUENCE RPLISAWVDV VCTSILSLPE EPKRRLWLFI DELASLEKLA SLADALTKGR DATA SEQUENCE KAGLRVVAGL QSTSQLDDVY GVKEAQTLRA SFRSLVVLGG SRTDPKTNED DATA SEQUENCE MSLSLGEHEV ERDXXXXXXX XXXXXXXXLE RVRERVVMPA EIANLPDLTA DATA SEQUENCE YVGFAGNRPI AKVPLEIKQF ANRQPAFVE 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 76 Q HA 0.000 nan 4.340 nan 0.000 0.214 76 Q C 0.000 176.010 176.000 0.017 0.000 1.003 76 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 76 Q CB 0.000 28.767 28.738 0.048 0.000 1.108 77 G N -0.441 108.378 108.800 0.032 0.000 2.551 77 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.186 77 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.186 77 G C 0.447 175.378 174.900 0.051 0.000 1.002 77 G CA 0.527 45.642 45.100 0.027 0.000 0.723 77 G HN 0.302 nan 8.290 nan 0.000 0.481 78 E N -0.853 119.403 120.200 0.093 0.000 2.094 78 E HA 0.348 4.698 4.350 -0.000 0.000 0.193 78 E C 0.402 177.151 176.600 0.248 0.000 0.950 78 E CA -0.096 56.387 56.400 0.138 0.000 0.842 78 E CB 0.423 30.201 29.700 0.131 0.000 0.816 78 E HN 0.320 nan 8.360 nan 0.000 0.465 79 F N 1.461 121.490 119.950 0.132 0.000 2.404 79 F HA 0.432 4.959 4.527 -0.000 0.000 0.345 79 F C 1.122 177.014 175.800 0.152 0.000 1.110 79 F CA -0.793 57.320 58.000 0.188 0.000 1.130 79 F CB 1.348 40.544 39.000 0.327 0.000 1.129 79 F HN 0.013 nan 8.300 nan 0.000 0.500 80 G N 4.351 113.022 108.800 -0.215 0.000 2.440 80 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.218 80 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.218 80 G C 0.897 175.356 174.900 -0.735 0.000 1.154 80 G CA 0.556 45.432 45.100 -0.372 0.000 0.767 80 G HN 1.004 nan 8.290 nan 0.000 0.552 81 G N -0.195 107.566 108.800 -1.732 0.000 2.525 81 G HA2 0.490 4.450 3.960 -0.000 0.000 0.276 81 G HA3 0.490 4.450 3.960 -0.000 0.000 0.276 81 G C 0.309 174.829 174.900 -0.633 0.000 1.388 81 G CA 0.112 44.560 45.100 -1.087 0.000 1.050 81 G HN 0.672 nan 8.290 nan 0.000 0.520 82 A N 0.276 123.043 122.820 -0.087 0.000 2.488 82 A HA 0.528 4.848 4.320 -0.000 0.000 0.249 82 A C -1.941 175.844 177.584 0.335 0.000 1.083 82 A CA -0.709 51.390 52.037 0.104 0.000 0.768 82 A CB -0.184 18.899 19.000 0.139 0.000 1.017 82 A HN 0.418 nan 8.150 nan 0.000 0.496 83 P HA 0.312 nan 4.420 nan 0.000 0.268 83 P C -0.599 176.876 177.300 0.291 0.000 1.208 83 P CA 0.361 63.596 63.100 0.225 0.000 0.777 83 P CB 0.248 31.977 31.700 0.048 0.000 0.875 84 F N -0.660 119.390 119.950 0.166 0.000 2.654 84 F HA 0.643 5.170 4.527 -0.000 0.000 0.334 84 F C 1.265 177.104 175.800 0.066 0.000 1.078 84 F CA -1.198 56.862 58.000 0.100 0.000 0.986 84 F CB 1.043 40.082 39.000 0.065 0.000 1.362 84 F HN 0.109 nan 8.300 nan 0.000 0.498 85 K N -0.252 120.307 120.400 0.265 0.000 2.098 85 K HA 0.191 4.511 4.320 -0.000 0.000 0.203 85 K C 0.022 176.733 176.600 0.185 0.000 1.051 85 K CA 0.552 56.923 56.287 0.141 0.000 0.957 85 K CB 0.324 32.890 32.500 0.110 0.000 0.738 85 K HN 0.761 nan 8.250 nan 0.000 0.447 86 R N -0.024 120.678 120.500 0.336 0.000 2.536 86 R HA 0.098 4.438 4.340 -0.000 0.000 0.269 86 R C -1.934 174.543 176.300 0.296 0.000 1.113 86 R CA -0.615 55.659 56.100 0.290 0.000 0.948 86 R CB 0.709 31.087 30.300 0.130 0.000 1.237 86 R HN -0.030 nan 8.270 nan 0.000 0.441 87 F N 5.866 125.940 119.950 0.207 0.000 2.438 87 F HA 0.265 4.792 4.527 -0.000 0.000 0.356 87 F C 0.078 175.842 175.800 -0.060 0.000 1.099 87 F CA -0.173 57.826 58.000 -0.002 0.000 1.185 87 F CB 0.800 39.866 39.000 0.110 0.000 1.115 87 F HN 0.572 nan 8.300 nan 0.000 0.526 88 L N 4.554 125.255 121.223 -0.871 0.000 2.187 88 L HA 0.282 4.622 4.340 -0.000 0.000 0.197 88 L C 0.048 176.526 176.870 -0.653 0.000 1.090 88 L CA 0.175 54.671 54.840 -0.574 0.000 0.781 88 L CB -0.126 41.681 42.059 -0.420 0.000 0.956 88 L HN 0.624 nan 8.230 nan 0.000 0.463 89 R N -1.708 118.225 120.500 -0.945 0.000 2.728 89 R HA 0.700 5.040 4.340 -0.000 0.000 0.274 89 R C -0.558 175.553 176.300 -0.315 0.000 1.030 89 R CA -0.302 55.533 56.100 -0.441 0.000 0.876 89 R CB 0.542 30.733 30.300 -0.182 0.000 1.259 89 R HN 0.174 nan 8.270 nan 0.000 0.468 90 G N -0.143 108.692 108.800 0.059 0.000 2.526 90 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.250 90 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.250 90 G C -0.905 174.178 174.900 0.305 0.000 1.289 90 G CA -0.490 44.691 45.100 0.136 0.000 0.947 90 G HN 0.721 nan 8.290 nan 0.000 0.517 91 T N 1.668 116.347 114.554 0.209 0.000 2.918 91 T HA 0.534 4.884 4.350 -0.000 0.000 0.302 91 T C 0.650 175.481 174.700 0.218 0.000 1.045 91 T CA 0.670 62.867 62.100 0.161 0.000 1.114 91 T CB 0.291 69.198 68.868 0.065 0.000 0.965 91 T HN 0.773 nan 8.240 nan 0.000 0.540 92 R N 2.196 122.739 120.500 0.071 0.000 2.575 92 R HA 0.708 5.048 4.340 -0.000 0.000 0.293 92 R C -1.094 175.211 176.300 0.009 0.000 0.983 92 R CA -0.878 55.196 56.100 -0.044 0.000 0.887 92 R CB 1.525 31.578 30.300 -0.411 0.000 1.184 92 R HN 0.564 nan 8.270 nan 0.000 0.445 93 I N 2.755 123.364 120.570 0.066 0.000 2.498 93 I HA 0.535 4.705 4.170 -0.000 0.000 0.301 93 I C -0.929 175.245 176.117 0.094 0.000 0.984 93 I CA -1.089 60.278 61.300 0.111 0.000 1.204 93 I CB 1.893 40.010 38.000 0.196 0.000 1.362 93 I HN 0.533 nan 8.210 nan 0.000 0.471 94 V N 5.130 125.094 119.914 0.083 0.000 3.167 94 V HA 0.499 4.619 4.120 -0.000 0.000 0.310 94 V C -0.368 175.761 176.094 0.059 0.000 1.207 94 V CA -0.348 61.988 62.300 0.061 0.000 1.059 94 V CB 2.694 34.537 31.823 0.033 0.000 1.079 94 V HN 0.881 nan 8.190 nan 0.000 0.446 95 S N 1.227 116.953 115.700 0.043 0.000 2.576 95 S HA 0.346 4.816 4.470 -0.000 0.000 0.276 95 S C 1.286 175.901 174.600 0.025 0.000 1.339 95 S CA 0.297 58.516 58.200 0.030 0.000 1.039 95 S CB 1.104 64.318 63.200 0.023 0.000 0.902 95 S HN 1.516 nan 8.310 nan 0.000 0.516 96 G N 2.398 111.205 108.800 0.012 0.000 2.553 96 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.218 96 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.218 96 G C 1.415 176.332 174.900 0.029 0.000 1.195 96 G CA 0.816 45.925 45.100 0.014 0.000 0.779 96 G HN 1.103 nan 8.290 nan 0.000 0.577 97 G N 0.788 109.601 108.800 0.023 0.000 2.476 97 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.218 97 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.218 97 G C 1.748 176.665 174.900 0.029 0.000 1.164 97 G CA 1.635 46.750 45.100 0.025 0.000 0.768 97 G HN 0.594 nan 8.290 nan 0.000 0.560 98 K N -0.069 120.346 120.400 0.026 0.000 2.044 98 K HA -0.108 4.212 4.320 -0.000 0.000 0.210 98 K C 2.331 178.952 176.600 0.035 0.000 1.049 98 K CA 1.476 57.778 56.287 0.025 0.000 0.927 98 K CB -0.573 31.940 32.500 0.021 0.000 0.713 98 K HN 0.248 nan 8.250 nan 0.000 0.443 99 L N 1.367 122.620 121.223 0.049 0.000 1.994 99 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 99 L C 1.839 178.760 176.870 0.084 0.000 1.071 99 L CA 1.927 56.812 54.840 0.076 0.000 0.745 99 L CB -0.649 41.468 42.059 0.096 0.000 0.892 99 L HN 0.175 nan 8.230 nan 0.000 0.431 100 K N -0.865 119.582 120.400 0.079 0.000 2.107 100 K HA -0.252 4.068 4.320 -0.000 0.000 0.211 100 K C 2.273 178.901 176.600 0.047 0.000 1.049 100 K CA 1.923 58.254 56.287 0.073 0.000 0.927 100 K CB -0.230 32.304 32.500 0.057 0.000 0.714 100 K HN 0.352 nan 8.250 nan 0.000 0.452 101 R N 0.289 120.810 120.500 0.036 0.000 2.070 101 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 101 R C 2.461 178.771 176.300 0.017 0.000 1.138 101 R CA 1.759 57.873 56.100 0.022 0.000 0.936 101 R CB -0.270 30.040 30.300 0.017 0.000 0.839 101 R HN 0.216 nan 8.270 nan 0.000 0.429 102 M N 0.030 119.644 119.600 0.024 0.000 2.073 102 M HA -0.183 4.297 4.480 -0.000 0.000 0.258 102 M C 2.356 178.659 176.300 0.005 0.000 1.070 102 M CA 2.444 57.754 55.300 0.018 0.000 1.103 102 M CB -0.677 31.940 32.600 0.029 0.000 1.321 102 M HN 0.298 nan 8.290 nan 0.000 0.405 103 T N -1.858 112.702 114.554 0.010 0.000 3.035 103 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 103 T C 0.997 175.659 174.700 -0.063 0.000 1.109 103 T CA 0.078 62.149 62.100 -0.049 0.000 1.119 103 T CB -0.349 68.470 68.868 -0.081 0.000 0.900 103 T HN 0.316 nan 8.240 nan 0.000 0.503 104 R N 1.795 122.280 120.500 -0.026 0.000 2.484 104 R HA 0.124 4.464 4.340 -0.000 0.000 0.293 104 R C -0.412 175.870 176.300 -0.030 0.000 1.023 104 R CA 0.496 56.582 56.100 -0.024 0.000 1.037 104 R CB 0.286 30.582 30.300 -0.006 0.000 0.951 104 R HN 0.522 nan 8.270 nan 0.000 0.418 105 E N 2.376 122.556 120.200 -0.035 0.000 2.370 105 E HA 0.182 4.532 4.350 -0.000 0.000 0.259 105 E C 0.320 176.907 176.600 -0.022 0.000 0.947 105 E CA -0.998 55.382 56.400 -0.032 0.000 0.809 105 E CB 1.282 30.956 29.700 -0.044 0.000 1.300 105 E HN 0.486 nan 8.360 nan 0.000 0.419 106 K N 0.044 120.432 120.400 -0.020 0.000 1.984 106 K HA 0.045 4.364 4.320 -0.000 0.000 0.209 106 K C 1.044 177.636 176.600 -0.014 0.000 1.046 106 K CA 0.736 57.014 56.287 -0.015 0.000 0.934 106 K CB -0.879 31.612 32.500 -0.014 0.000 0.717 106 K HN 0.449 nan 8.250 nan 0.000 0.438 107 A N 2.336 125.147 122.820 -0.016 0.000 2.409 107 A HA 0.055 4.375 4.320 -0.000 0.000 0.246 107 A C -0.120 177.457 177.584 -0.011 0.000 1.099 107 A CA -0.135 51.894 52.037 -0.013 0.000 0.789 107 A CB -0.069 18.922 19.000 -0.015 0.000 1.053 107 A HN 0.258 nan 8.150 nan 0.000 0.503 108 K N 0.867 121.263 120.400 -0.007 0.000 2.412 108 K HA 0.215 4.535 4.320 -0.000 0.000 0.281 108 K C -0.107 176.493 176.600 0.001 0.000 1.027 108 K CA 0.438 56.722 56.287 -0.006 0.000 0.989 108 K CB 0.384 32.880 32.500 -0.005 0.000 0.935 108 K HN 0.719 nan 8.250 nan 0.000 0.475 109 Q N 0.639 120.438 119.800 -0.001 0.000 2.495 109 Q HA 0.509 4.849 4.340 -0.000 0.000 0.283 109 Q C -0.463 175.547 176.000 0.017 0.000 1.097 109 Q CA -1.150 54.658 55.803 0.009 0.000 0.836 109 Q CB 1.947 30.677 28.738 -0.013 0.000 1.426 109 Q HN 0.464 nan 8.270 nan 0.000 0.459 110 V N -2.379 117.562 119.914 0.045 0.000 3.193 110 V HA 0.861 4.980 4.120 -0.000 0.000 0.320 110 V C -0.262 175.864 176.094 0.053 0.000 1.112 110 V CA -0.615 61.703 62.300 0.030 0.000 1.026 110 V CB 1.583 33.432 31.823 0.044 0.000 1.128 110 V HN 0.954 nan 8.190 nan 0.000 0.452 111 T N -1.211 113.377 114.554 0.057 0.000 2.893 111 T HA 0.755 5.105 4.350 -0.000 0.000 0.291 111 T C -0.880 173.906 174.700 0.143 0.000 1.028 111 T CA -0.658 61.509 62.100 0.113 0.000 0.995 111 T CB 1.528 70.456 68.868 0.101 0.000 1.051 111 T HN 0.872 nan 8.240 nan 0.000 0.470 112 V N 2.567 122.607 119.914 0.212 0.000 2.326 112 V HA 0.662 4.782 4.120 -0.000 0.000 0.281 112 V C 0.961 177.132 176.094 0.128 0.000 1.015 112 V CA -0.133 62.276 62.300 0.181 0.000 0.823 112 V CB 0.066 32.030 31.823 0.236 0.000 1.009 112 V HN 1.660 nan 8.190 nan 0.000 0.436 113 A N 4.087 126.964 122.820 0.095 0.000 2.832 113 A HA -0.028 4.292 4.320 -0.000 0.000 0.280 113 A C 1.837 179.466 177.584 0.075 0.000 1.464 113 A CA 1.451 53.529 52.037 0.069 0.000 0.804 113 A CB -1.542 17.476 19.000 0.031 0.000 1.020 113 A HN 2.539 nan 8.150 nan 0.000 0.563 114 G N -3.907 104.952 108.800 0.097 0.000 2.241 114 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.244 114 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.244 114 G C 0.434 175.398 174.900 0.106 0.000 0.998 114 G CA 0.379 45.533 45.100 0.090 0.000 0.621 114 G HN 1.829 nan 8.290 nan 0.000 0.519 115 V N 3.774 123.776 119.914 0.146 0.000 2.498 115 V HA 0.463 4.583 4.120 -0.000 0.000 0.279 115 V C -1.395 174.841 176.094 0.236 0.000 1.048 115 V CA -1.325 61.099 62.300 0.207 0.000 0.967 115 V CB 1.414 33.414 31.823 0.297 0.000 0.988 115 V HN 0.269 nan 8.190 nan 0.000 0.473 116 P HA 0.097 nan 4.420 nan 0.000 0.271 116 P C -0.468 176.762 177.300 -0.117 0.000 1.233 116 P CA -0.178 62.942 63.100 0.033 0.000 0.764 116 P CB 0.695 32.395 31.700 0.001 0.000 0.825 117 M N 6.421 125.935 119.600 -0.143 0.000 2.162 117 M HA 0.330 4.810 4.480 -0.000 0.000 0.356 117 M C -2.377 173.689 176.300 -0.389 0.000 1.303 117 M CA -2.309 52.694 55.300 -0.496 0.000 1.116 117 M CB 0.825 33.377 32.600 -0.081 0.000 1.632 117 M HN 0.066 nan 8.290 nan 0.000 0.469 118 P HA 0.001 nan 4.420 nan 0.000 0.258 118 P C -0.257 176.939 177.300 -0.174 0.000 1.187 118 P CA 0.404 63.328 63.100 -0.293 0.000 0.767 118 P CB 0.300 31.821 31.700 -0.299 0.000 0.770 119 R N 3.154 123.588 120.500 -0.110 0.000 2.140 119 R HA -0.257 4.083 4.340 -0.000 0.000 0.250 119 R C 1.428 177.677 176.300 -0.084 0.000 1.150 119 R CA 2.480 58.537 56.100 -0.071 0.000 0.966 119 R CB -0.737 29.530 30.300 -0.055 0.000 0.869 119 R HN 0.648 nan 8.270 nan 0.000 0.445 120 D N -0.330 120.016 120.400 -0.090 0.000 2.310 120 D HA -0.080 4.560 4.640 -0.000 0.000 0.212 120 D C 1.468 177.709 176.300 -0.097 0.000 0.965 120 D CA 0.977 54.923 54.000 -0.090 0.000 0.879 120 D CB 0.070 40.826 40.800 -0.074 0.000 0.921 120 D HN 0.246 nan 8.370 nan 0.000 0.510 121 A N 0.374 123.138 122.820 -0.092 0.000 2.123 121 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 121 A C 1.970 179.516 177.584 -0.064 0.000 1.152 121 A CA 0.443 52.446 52.037 -0.056 0.000 0.728 121 A CB -0.362 18.622 19.000 -0.027 0.000 0.814 121 A HN 0.186 nan 8.150 nan 0.000 0.464 122 E N 0.262 120.407 120.200 -0.091 0.000 2.038 122 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 122 E C -0.826 175.575 176.600 -0.331 0.000 1.000 122 E CA 1.502 57.812 56.400 -0.151 0.000 0.803 122 E CB -0.685 28.919 29.700 -0.161 0.000 0.750 122 E HN 0.540 nan 8.360 nan 0.000 0.448 123 P HA 0.039 nan 4.420 nan 0.000 0.255 123 P C 0.185 177.048 177.300 -0.728 0.000 1.301 123 P CA 0.494 63.321 63.100 -0.455 0.000 0.817 123 P CB 0.396 31.913 31.700 -0.304 0.000 1.259 124 R N -0.362 119.790 120.500 -0.580 0.000 2.427 124 R HA 0.144 4.484 4.340 -0.000 0.000 0.262 124 R C 0.290 176.268 176.300 -0.537 0.000 0.943 124 R CA -0.496 55.275 56.100 -0.548 0.000 1.081 124 R CB -1.063 29.111 30.300 -0.209 0.000 1.166 124 R HN 0.347 nan 8.270 nan 0.000 0.534 125 H N -0.727 118.292 119.070 -0.084 0.000 4.272 125 H HA -0.244 4.312 4.556 -0.000 0.000 0.250 125 H C -0.463 174.991 175.328 0.210 0.000 0.566 125 H CA 0.553 56.595 56.048 -0.010 0.000 0.711 125 H CB -0.676 28.901 29.762 -0.308 0.000 1.035 125 H HN 0.117 nan 8.280 nan 0.000 0.338 126 L N 1.157 122.686 121.223 0.509 0.000 2.436 126 L HA 0.546 4.886 4.340 -0.000 0.000 0.268 126 L C -1.557 175.513 176.870 0.334 0.000 0.974 126 L CA -0.829 54.246 54.840 0.392 0.000 0.826 126 L CB 1.755 43.986 42.059 0.287 0.000 1.291 126 L HN 0.513 nan 8.230 nan 0.000 0.406 127 L N 6.039 127.325 121.223 0.104 0.000 2.305 127 L HA 0.641 4.981 4.340 -0.000 0.000 0.284 127 L C -1.106 175.707 176.870 -0.095 0.000 1.013 127 L CA -0.355 54.347 54.840 -0.231 0.000 0.819 127 L CB 1.726 43.523 42.059 -0.437 0.000 1.227 127 L HN 0.440 nan 8.230 nan 0.000 0.417 128 V N 5.893 125.758 119.914 -0.082 0.000 2.311 128 V HA 0.456 4.576 4.120 -0.000 0.000 0.275 128 V C 0.038 176.109 176.094 -0.038 0.000 1.022 128 V CA -0.666 61.619 62.300 -0.025 0.000 0.830 128 V CB 0.947 32.784 31.823 0.022 0.000 1.012 128 V HN 0.783 nan 8.190 nan 0.000 0.452 129 N N 3.488 122.169 118.700 -0.032 0.000 2.399 129 N HA 0.788 5.528 4.740 -0.000 0.000 0.295 129 N C -0.221 175.290 175.510 0.001 0.000 1.048 129 N CA 0.233 53.267 53.050 -0.027 0.000 0.886 129 N CB 2.417 40.880 38.487 -0.040 0.000 1.185 129 N HN 0.844 nan 8.380 nan 0.000 0.487 130 G N 0.237 109.041 108.800 0.007 0.000 2.368 130 G HA2 0.536 4.496 3.960 -0.000 0.000 0.293 130 G HA3 0.536 4.496 3.960 -0.000 0.000 0.293 130 G C -1.473 173.439 174.900 0.019 0.000 1.467 130 G CA -0.269 44.843 45.100 0.019 0.000 0.804 130 G HN 0.673 nan 8.290 nan 0.000 0.535 131 A N -0.234 122.600 122.820 0.022 0.000 2.280 131 A HA 0.755 5.075 4.320 -0.000 0.000 0.268 131 A C 0.992 178.590 177.584 0.023 0.000 1.111 131 A CA 0.701 52.750 52.037 0.021 0.000 0.814 131 A CB 0.436 19.449 19.000 0.020 0.000 1.093 131 A HN 1.707 nan 8.150 nan 0.000 0.498 132 T N -0.684 113.883 114.554 0.021 0.000 2.870 132 T HA 0.439 4.789 4.350 -0.000 0.000 0.300 132 T C 1.315 176.027 174.700 0.020 0.000 0.989 132 T CA 1.425 63.538 62.100 0.022 0.000 1.139 132 T CB -0.165 68.715 68.868 0.020 0.000 0.920 132 T HN 2.303 nan 8.240 nan 0.000 0.537 133 G N 3.293 112.106 108.800 0.020 0.000 2.179 133 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 133 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 133 G C 1.045 175.957 174.900 0.021 0.000 0.977 133 G CA 1.130 46.240 45.100 0.018 0.000 0.641 133 G HN 1.248 nan 8.290 nan 0.000 0.533 134 T N -2.095 112.473 114.554 0.024 0.000 3.035 134 T HA 0.377 4.727 4.350 -0.000 0.000 0.268 134 T C 2.241 176.958 174.700 0.029 0.000 1.109 134 T CA 1.820 63.935 62.100 0.026 0.000 1.119 134 T CB 0.108 68.994 68.868 0.030 0.000 0.900 134 T HN 2.240 nan 8.240 nan 0.000 0.503 135 G N 0.936 109.756 108.800 0.032 0.000 2.151 135 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.140 135 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.140 135 G C 0.765 175.694 174.900 0.049 0.000 1.020 135 G CA 0.120 45.244 45.100 0.039 0.000 0.688 135 G HN 0.374 nan 8.290 nan 0.000 0.500 136 K N 0.696 121.124 120.400 0.047 0.000 2.074 136 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 136 K C 2.548 179.189 176.600 0.068 0.000 1.048 136 K CA 1.813 58.133 56.287 0.056 0.000 0.926 136 K CB -0.280 32.252 32.500 0.053 0.000 0.713 136 K HN 0.414 nan 8.250 nan 0.000 0.444 137 S N 1.001 116.736 115.700 0.058 0.000 2.343 137 S HA -0.120 4.350 4.470 -0.000 0.000 0.219 137 S C 2.238 176.881 174.600 0.072 0.000 1.033 137 S CA 1.397 59.631 58.200 0.057 0.000 1.014 137 S CB -0.440 62.782 63.200 0.037 0.000 0.915 137 S HN 0.040 nan 8.310 nan 0.000 0.435 138 V N 2.472 122.433 119.914 0.078 0.000 2.313 138 V HA -0.243 3.877 4.120 -0.000 0.000 0.253 138 V C 2.188 178.353 176.094 0.118 0.000 1.070 138 V CA 2.014 64.379 62.300 0.107 0.000 1.057 138 V CB -0.766 31.112 31.823 0.091 0.000 0.653 138 V HN 0.429 nan 8.190 nan 0.000 0.450 139 L N -0.981 120.301 121.223 0.097 0.000 1.988 139 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 139 L C 2.373 179.310 176.870 0.111 0.000 1.071 139 L CA 1.651 56.552 54.840 0.101 0.000 0.744 139 L CB -0.206 41.905 42.059 0.086 0.000 0.893 139 L HN 0.223 nan 8.230 nan 0.000 0.433 140 L N 0.238 121.533 121.223 0.121 0.000 2.127 140 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 140 L C 2.710 179.606 176.870 0.043 0.000 1.089 140 L CA 1.617 56.556 54.840 0.165 0.000 0.757 140 L CB -0.999 41.184 42.059 0.206 0.000 0.899 140 L HN 0.295 nan 8.230 nan 0.000 0.434 141 R N -0.101 120.422 120.500 0.037 0.000 2.066 141 R HA -0.201 4.139 4.340 -0.000 0.000 0.232 141 R C 2.313 178.607 176.300 -0.009 0.000 1.131 141 R CA 1.625 57.725 56.100 0.001 0.000 0.955 141 R CB -0.118 30.202 30.300 0.033 0.000 0.851 141 R HN 0.565 nan 8.270 nan 0.000 0.432 142 E N 0.532 120.803 120.200 0.117 0.000 2.051 142 E HA -0.226 4.123 4.350 -0.000 0.000 0.192 142 E C 2.111 178.760 176.600 0.082 0.000 0.991 142 E CA 1.174 57.697 56.400 0.204 0.000 0.799 142 E CB -0.300 29.525 29.700 0.208 0.000 0.748 142 E HN 0.400 nan 8.360 nan 0.000 0.449 143 L N 0.597 121.836 121.223 0.027 0.000 1.990 143 L HA -0.254 4.086 4.340 -0.000 0.000 0.213 143 L C 2.719 179.453 176.870 -0.226 0.000 1.072 143 L CA 1.646 56.452 54.840 -0.056 0.000 0.755 143 L CB -0.581 41.493 42.059 0.026 0.000 0.889 143 L HN 0.381 nan 8.230 nan 0.000 0.432 144 A N -0.820 121.809 122.820 -0.317 0.000 1.859 144 A HA -0.350 3.970 4.320 -0.000 0.000 0.217 144 A C 2.128 179.362 177.584 -0.582 0.000 1.198 144 A CA 2.138 53.797 52.037 -0.631 0.000 0.629 144 A CB -1.277 17.157 19.000 -0.943 0.000 0.830 144 A HN 0.591 nan 8.150 nan 0.000 0.446 145 Y N 2.024 121.904 120.300 -0.701 0.000 2.053 145 Y HA -0.302 4.248 4.550 -0.000 0.000 0.277 145 Y C 2.932 178.696 175.900 -0.226 0.000 1.159 145 Y CA 2.783 60.579 58.100 -0.507 0.000 1.125 145 Y CB -1.216 37.157 38.460 -0.145 0.000 0.969 145 Y HN 0.486 nan 8.280 nan 0.000 0.492 146 T N -2.487 111.848 114.554 -0.364 0.000 2.759 146 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 146 T C 2.244 176.776 174.700 -0.280 0.000 1.042 146 T CA 1.480 63.354 62.100 -0.377 0.000 1.140 146 T CB -1.466 67.305 68.868 -0.161 0.000 0.864 146 T HN 0.432 nan 8.240 nan 0.000 0.455 147 G N 1.201 109.837 108.800 -0.274 0.000 2.422 147 G HA2 0.039 3.999 3.960 -0.000 0.000 0.218 147 G HA3 0.039 3.999 3.960 -0.000 0.000 0.218 147 G C 1.532 176.354 174.900 -0.130 0.000 1.140 147 G CA 0.584 45.571 45.100 -0.188 0.000 0.775 147 G HN 0.531 nan 8.290 nan 0.000 0.545 148 L N -0.175 120.921 121.223 -0.212 0.000 2.072 148 L HA 0.104 4.444 4.340 -0.000 0.000 0.205 148 L C 2.793 179.600 176.870 -0.106 0.000 1.079 148 L CA 0.318 55.080 54.840 -0.131 0.000 0.752 148 L CB -0.380 41.589 42.059 -0.150 0.000 0.906 148 L HN 0.133 nan 8.230 nan 0.000 0.436 149 L N -0.198 120.896 121.223 -0.214 0.000 2.129 149 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 149 L C 2.712 179.527 176.870 -0.092 0.000 1.087 149 L CA 1.248 55.979 54.840 -0.182 0.000 0.757 149 L CB -0.377 41.483 42.059 -0.331 0.000 0.896 149 L HN 0.276 nan 8.230 nan 0.000 0.434 150 R N -0.118 120.337 120.500 -0.076 0.000 2.276 150 R HA 0.012 4.352 4.340 -0.000 0.000 0.196 150 R C 1.081 177.386 176.300 0.009 0.000 0.961 150 R CA 0.715 56.803 56.100 -0.020 0.000 1.024 150 R CB 0.241 30.545 30.300 0.007 0.000 0.940 150 R HN 0.362 nan 8.270 nan 0.000 0.480 151 G N 1.480 110.285 108.800 0.009 0.000 2.142 151 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.225 151 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.225 151 G C -0.927 174.008 174.900 0.059 0.000 1.015 151 G CA 0.124 45.243 45.100 0.030 0.000 0.716 151 G HN 0.383 nan 8.290 nan 0.000 0.508 152 D N -0.067 120.391 120.400 0.098 0.000 2.283 152 D HA 0.521 5.161 4.640 -0.000 0.000 0.248 152 D C 1.085 177.489 176.300 0.173 0.000 1.072 152 D CA -0.141 53.965 54.000 0.177 0.000 0.929 152 D CB 0.888 41.919 40.800 0.385 0.000 1.182 152 D HN 0.392 nan 8.370 nan 0.000 0.433 153 R N 0.343 120.941 120.500 0.164 0.000 2.553 153 R HA 0.760 5.100 4.340 -0.000 0.000 0.263 153 R C 0.177 176.628 176.300 0.251 0.000 1.066 153 R CA -0.628 55.554 56.100 0.138 0.000 1.135 153 R CB 1.055 31.361 30.300 0.009 0.000 1.148 153 R HN 0.514 nan 8.270 nan 0.000 0.558 154 M N -1.733 118.011 119.600 0.240 0.000 2.790 154 M HA 0.383 4.862 4.480 -0.000 0.000 0.272 154 M C -1.618 174.852 176.300 0.283 0.000 1.168 154 M CA -1.129 54.361 55.300 0.317 0.000 0.829 154 M CB 1.688 34.492 32.600 0.340 0.000 1.675 154 M HN 0.197 nan 8.290 nan 0.000 0.505 155 V N 2.306 122.405 119.914 0.308 0.000 2.495 155 V HA 0.630 4.750 4.120 -0.000 0.000 0.298 155 V C -0.715 175.470 176.094 0.153 0.000 1.031 155 V CA -0.478 61.939 62.300 0.194 0.000 0.871 155 V CB 2.095 34.070 31.823 0.253 0.000 0.988 155 V HN 0.723 nan 8.190 nan 0.000 0.432 156 I N 4.654 125.198 120.570 -0.043 0.000 2.448 156 I HA 0.283 4.453 4.170 -0.000 0.000 0.281 156 I C -0.162 176.032 176.117 0.127 0.000 1.027 156 I CA -0.746 60.558 61.300 0.006 0.000 1.111 156 I CB 1.999 39.829 38.000 -0.284 0.000 1.236 156 I HN 0.261 nan 8.210 nan 0.000 0.452 157 V N 4.884 124.943 119.914 0.241 0.000 2.356 157 V HA -0.063 4.056 4.120 -0.000 0.000 0.244 157 V C 0.078 176.381 176.094 0.349 0.000 1.120 157 V CA 0.559 63.068 62.300 0.348 0.000 1.181 157 V CB -0.336 31.692 31.823 0.341 0.000 1.244 157 V HN 0.618 nan 8.190 nan 0.000 0.487 158 D N 7.089 127.670 120.400 0.302 0.000 2.412 158 D HA 0.362 5.002 4.640 -0.000 0.000 0.224 158 D C -2.672 173.479 176.300 -0.250 0.000 1.093 158 D CA -2.188 51.872 54.000 0.100 0.000 0.850 158 D CB 1.788 42.697 40.800 0.182 0.000 1.046 158 D HN 0.240 nan 8.370 nan 0.000 0.507 159 P HA 0.192 nan 4.420 nan 0.000 0.276 159 P C -0.322 176.587 177.300 -0.651 0.000 1.230 159 P CA -0.291 62.136 63.100 -1.122 0.000 0.776 159 P CB 0.479 31.782 31.700 -0.661 0.000 0.888 160 N N 2.384 120.654 118.700 -0.718 0.000 2.708 160 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 160 N C 0.858 176.223 175.510 -0.242 0.000 1.097 160 N CA 1.563 54.373 53.050 -0.400 0.000 0.710 160 N CB -1.829 36.478 38.487 -0.300 0.000 1.032 160 N HN 0.906 nan 8.380 nan 0.000 0.551 161 G N 0.234 108.908 108.800 -0.210 0.000 2.402 161 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.300 161 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.300 161 G C 0.755 175.594 174.900 -0.101 0.000 0.987 161 G CA 1.389 46.431 45.100 -0.097 0.000 0.881 161 G HN 0.663 nan 8.290 nan 0.000 0.512 162 D N -0.472 119.859 120.400 -0.114 0.000 2.078 162 D HA -0.126 4.514 4.640 -0.000 0.000 0.193 162 D C 2.585 178.818 176.300 -0.112 0.000 0.990 162 D CA 1.568 55.499 54.000 -0.115 0.000 0.827 162 D CB -0.101 40.633 40.800 -0.109 0.000 0.975 162 D HN 0.243 nan 8.370 nan 0.000 0.451 163 M N -0.070 119.525 119.600 -0.009 0.000 2.106 163 M HA -0.127 4.353 4.480 -0.000 0.000 0.259 163 M C 2.242 178.641 176.300 0.164 0.000 1.068 163 M CA 0.882 56.262 55.300 0.133 0.000 1.100 163 M CB -1.157 31.607 32.600 0.273 0.000 1.351 163 M HN 0.275 nan 8.290 nan 0.000 0.404 164 L N 0.722 121.958 121.223 0.022 0.000 1.970 164 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 164 L C 2.709 179.363 176.870 -0.359 0.000 1.071 164 L CA 2.638 57.182 54.840 -0.494 0.000 0.751 164 L CB -1.222 40.524 42.059 -0.521 0.000 0.889 164 L HN 0.480 nan 8.230 nan 0.000 0.432 165 S N -1.249 114.298 115.700 -0.254 0.000 2.420 165 S HA -0.214 4.256 4.470 -0.000 0.000 0.237 165 S C 1.927 176.370 174.600 -0.261 0.000 1.023 165 S CA 1.291 59.360 58.200 -0.219 0.000 0.991 165 S CB -0.510 62.591 63.200 -0.165 0.000 0.792 165 S HN 0.513 nan 8.310 nan 0.000 0.488 166 K N 0.230 120.388 120.400 -0.405 0.000 2.099 166 K HA 0.219 4.539 4.320 -0.000 0.000 0.203 166 K C 1.227 177.468 176.600 -0.599 0.000 1.047 166 K CA 0.861 56.764 56.287 -0.640 0.000 0.963 166 K CB -0.406 31.378 32.500 -1.192 0.000 0.759 166 K HN 0.586 nan 8.250 nan 0.000 0.451 167 F N 0.849 120.769 119.950 -0.049 0.000 2.678 167 F HA 0.295 4.822 4.527 -0.000 0.000 0.305 167 F C 1.266 177.093 175.800 0.046 0.000 1.090 167 F CA -0.942 57.079 58.000 0.035 0.000 1.272 167 F CB -0.586 38.470 39.000 0.093 0.000 1.060 167 F HN -0.142 nan 8.300 nan 0.000 0.576 168 G N 2.366 111.142 108.800 -0.040 0.000 2.178 168 G HA2 0.099 4.059 3.960 -0.000 0.000 0.244 168 G HA3 0.099 4.059 3.960 -0.000 0.000 0.244 168 G C 0.220 175.104 174.900 -0.027 0.000 1.213 168 G CA -0.187 44.785 45.100 -0.213 0.000 0.912 168 G HN 0.080 nan 8.290 nan 0.000 0.474 169 R N 1.298 121.822 120.500 0.039 0.000 2.828 169 R HA 0.199 4.539 4.340 -0.000 0.000 0.264 169 R C 0.515 176.837 176.300 0.037 0.000 1.022 169 R CA -0.853 55.291 56.100 0.074 0.000 1.021 169 R CB 1.330 31.716 30.300 0.143 0.000 1.163 169 R HN 0.612 nan 8.270 nan 0.000 0.494 170 D N 1.551 121.974 120.400 0.039 0.000 2.144 170 D HA -0.142 4.497 4.640 -0.000 0.000 0.200 170 D C 1.091 177.419 176.300 0.047 0.000 0.978 170 D CA 1.423 55.438 54.000 0.025 0.000 0.833 170 D CB 0.374 41.189 40.800 0.025 0.000 0.961 170 D HN 0.485 nan 8.370 nan 0.000 0.470 171 K N 0.865 121.314 120.400 0.081 0.000 2.487 171 K HA 0.041 4.361 4.320 -0.000 0.000 0.192 171 K C -0.004 176.691 176.600 0.158 0.000 1.027 171 K CA 0.117 56.471 56.287 0.112 0.000 1.054 171 K CB 0.319 32.891 32.500 0.119 0.000 0.824 171 K HN -0.120 nan 8.250 nan 0.000 0.510 172 D N 1.492 121.983 120.400 0.151 0.000 2.283 172 D HA 0.195 4.835 4.640 -0.000 0.000 0.248 172 D C 0.194 176.557 176.300 0.106 0.000 1.072 172 D CA -0.424 53.704 54.000 0.213 0.000 0.929 172 D CB 0.989 41.977 40.800 0.313 0.000 1.182 172 D HN -0.046 nan 8.370 nan 0.000 0.433 173 I N 1.489 122.102 120.570 0.070 0.000 2.499 173 I HA 0.360 4.530 4.170 -0.000 0.000 0.296 173 I C 0.495 176.501 176.117 -0.185 0.000 0.992 173 I CA -0.421 60.764 61.300 -0.192 0.000 1.297 173 I CB 0.645 38.319 38.000 -0.543 0.000 1.410 173 I HN 0.186 nan 8.210 nan 0.000 0.507 174 I N 5.884 126.278 120.570 -0.293 0.000 2.533 174 I HA 0.374 4.544 4.170 -0.000 0.000 0.290 174 I C -0.789 175.108 176.117 -0.366 0.000 1.056 174 I CA -0.553 60.607 61.300 -0.233 0.000 1.057 174 I CB 2.470 40.383 38.000 -0.144 0.000 1.240 174 I HN 0.240 nan 8.210 nan 0.000 0.423 175 L N 6.479 127.465 121.223 -0.396 0.000 2.345 175 L HA 0.514 4.854 4.340 -0.000 0.000 0.274 175 L C -0.683 176.047 176.870 -0.234 0.000 0.999 175 L CA -0.297 54.193 54.840 -0.583 0.000 0.849 175 L CB 1.090 42.368 42.059 -1.301 0.000 1.220 175 L HN 0.550 nan 8.230 nan 0.000 0.422 176 N N 5.247 123.930 118.700 -0.029 0.000 2.752 176 N HA 0.171 4.911 4.740 -0.000 0.000 0.268 176 N C -2.292 173.290 175.510 0.120 0.000 1.190 176 N CA -0.986 52.169 53.050 0.175 0.000 0.897 176 N CB 2.561 41.184 38.487 0.226 0.000 1.515 176 N HN 0.104 nan 8.380 nan 0.000 0.567 177 P HA -0.109 nan 4.420 nan 0.000 0.221 177 P C 0.242 177.316 177.300 -0.378 0.000 1.145 177 P CA 1.262 64.233 63.100 -0.215 0.000 0.795 177 P CB 0.063 31.525 31.700 -0.397 0.000 0.775 178 Y N -0.913 119.512 120.300 0.208 0.000 2.607 178 Y HA 0.291 4.841 4.550 -0.000 0.000 0.266 178 Y C 0.796 176.898 175.900 0.336 0.000 1.178 178 Y CA -0.632 57.619 58.100 0.251 0.000 1.226 178 Y CB 0.182 38.806 38.460 0.272 0.000 1.144 178 Y HN -0.067 nan 8.280 nan 0.000 0.528 179 D N 0.399 120.980 120.400 0.302 0.000 2.375 179 D HA 0.058 4.698 4.640 -0.000 0.000 0.247 179 D C 0.850 177.149 176.300 -0.003 0.000 1.061 179 D CA -0.204 53.887 54.000 0.152 0.000 0.834 179 D CB 1.972 42.907 40.800 0.224 0.000 1.247 179 D HN 0.064 nan 8.370 nan 0.000 0.489 180 Q N 3.153 122.892 119.800 -0.100 0.000 2.173 180 Q HA -0.196 4.144 4.340 -0.000 0.000 0.208 180 Q C 1.347 177.309 176.000 -0.064 0.000 0.989 180 Q CA 1.879 57.632 55.803 -0.084 0.000 0.872 180 Q CB 0.122 28.788 28.738 -0.121 0.000 0.909 180 Q HN 0.470 nan 8.270 nan 0.000 0.420 181 R N -0.540 119.917 120.500 -0.072 0.000 2.310 181 R HA 0.120 4.460 4.340 -0.000 0.000 0.202 181 R C 0.768 177.019 176.300 -0.082 0.000 0.933 181 R CA 0.479 56.535 56.100 -0.072 0.000 1.054 181 R CB -0.162 30.088 30.300 -0.083 0.000 0.985 181 R HN 0.094 nan 8.270 nan 0.000 0.489 182 T N 0.869 115.382 114.554 -0.068 0.000 2.791 182 T HA 0.011 4.361 4.350 -0.000 0.000 0.323 182 T C 0.237 174.865 174.700 -0.119 0.000 1.082 182 T CA 0.016 62.054 62.100 -0.104 0.000 1.084 182 T CB 0.511 69.345 68.868 -0.057 0.000 0.992 182 T HN -0.081 nan 8.240 nan 0.000 0.547 183 K N 1.421 121.704 120.400 -0.194 0.000 2.139 183 K HA 0.486 4.806 4.320 -0.000 0.000 0.243 183 K C 0.351 176.953 176.600 0.003 0.000 0.983 183 K CA -0.602 55.595 56.287 -0.150 0.000 0.890 183 K CB 1.215 33.475 32.500 -0.399 0.000 1.090 183 K HN 0.775 nan 8.250 nan 0.000 0.445 184 G N 0.644 109.504 108.800 0.100 0.000 2.333 184 G HA2 0.325 4.285 3.960 -0.000 0.000 0.290 184 G HA3 0.325 4.285 3.960 -0.000 0.000 0.290 184 G C -1.392 173.703 174.900 0.324 0.000 1.150 184 G CA -0.348 44.854 45.100 0.171 0.000 0.895 184 G HN 0.574 nan 8.290 nan 0.000 0.444 185 W N 2.457 123.845 121.300 0.148 0.000 3.138 185 W HA 0.621 5.281 4.660 -0.000 0.000 0.331 185 W C -0.630 176.039 176.519 0.250 0.000 1.166 185 W CA -0.873 56.609 57.345 0.229 0.000 1.212 185 W CB 2.260 31.899 29.460 0.299 0.000 1.399 185 W HN 0.695 nan 8.180 nan 0.000 0.514 186 S N 4.541 119.798 115.700 -0.738 0.000 2.546 186 S HA 0.329 4.798 4.470 -0.000 0.000 0.274 186 S C 0.268 173.943 174.600 -1.541 0.000 1.121 186 S CA -0.534 57.195 58.200 -0.784 0.000 0.887 186 S CB 0.486 63.538 63.200 -0.248 0.000 1.094 186 S HN 0.866 nan 8.310 nan 0.000 0.474 187 F N 2.623 121.849 119.950 -1.207 0.000 2.333 187 F HA 0.165 4.692 4.527 -0.000 0.000 0.300 187 F C 1.169 176.672 175.800 -0.495 0.000 1.083 187 F CA 0.661 58.198 58.000 -0.772 0.000 1.395 187 F CB -0.685 38.184 39.000 -0.220 0.000 1.056 187 F HN 0.532 nan 8.300 nan 0.000 0.529 188 F N 1.662 120.952 119.950 -1.101 0.000 2.192 188 F HA -0.215 4.312 4.527 -0.000 0.000 0.301 188 F C 1.910 177.391 175.800 -0.532 0.000 1.079 188 F CA 1.521 59.038 58.000 -0.805 0.000 1.303 188 F CB -0.971 37.685 39.000 -0.573 0.000 1.024 188 F HN 0.019 nan 8.300 nan 0.000 0.494 189 N N 0.202 118.710 118.700 -0.320 0.000 2.588 189 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 189 N C 1.104 176.489 175.510 -0.208 0.000 1.094 189 N CA 0.893 53.795 53.050 -0.247 0.000 0.921 189 N CB -0.295 38.030 38.487 -0.269 0.000 0.959 189 N HN 0.396 nan 8.380 nan 0.000 0.448 190 E N -0.509 119.511 120.200 -0.301 0.000 2.562 190 E HA 0.144 4.494 4.350 -0.000 0.000 0.214 190 E C 0.129 176.489 176.600 -0.400 0.000 0.979 190 E CA -0.217 55.970 56.400 -0.355 0.000 1.002 190 E CB 0.906 30.237 29.700 -0.615 0.000 1.048 190 E HN 0.167 nan 8.360 nan 0.000 0.488 191 I N 2.024 122.340 120.570 -0.424 0.000 2.471 191 I HA 0.107 4.277 4.170 -0.000 0.000 0.286 191 I C 1.442 177.383 176.117 -0.293 0.000 1.079 191 I CA 0.387 61.396 61.300 -0.485 0.000 1.398 191 I CB 0.637 38.109 38.000 -0.879 0.000 1.403 191 I HN -0.045 nan 8.210 nan 0.000 0.530 192 R N 3.726 124.080 120.500 -0.243 0.000 2.573 192 R HA 0.275 4.615 4.340 -0.000 0.000 0.224 192 R C -0.010 176.214 176.300 -0.126 0.000 0.904 192 R CA -0.051 55.963 56.100 -0.143 0.000 0.995 192 R CB 0.702 30.944 30.300 -0.097 0.000 1.430 192 R HN 0.594 nan 8.270 nan 0.000 0.631 193 N N 0.302 118.872 118.700 -0.217 0.000 2.697 193 N HA 0.058 4.798 4.740 -0.000 0.000 0.272 193 N C -0.204 175.227 175.510 -0.132 0.000 1.381 193 N CA -0.421 52.536 53.050 -0.155 0.000 0.797 193 N CB 1.704 40.068 38.487 -0.205 0.000 1.523 193 N HN -0.193 nan 8.380 nan 0.000 0.518 194 D N -0.217 120.217 120.400 0.057 0.000 2.144 194 D HA -0.162 4.478 4.640 -0.000 0.000 0.200 194 D C 1.687 178.124 176.300 0.229 0.000 0.978 194 D CA 1.453 55.593 54.000 0.235 0.000 0.833 194 D CB -0.020 40.920 40.800 0.233 0.000 0.961 194 D HN 0.638 nan 8.370 nan 0.000 0.470 195 Y N -0.621 119.766 120.300 0.145 0.000 2.574 195 Y HA 0.061 4.611 4.550 -0.000 0.000 0.294 195 Y C 1.246 177.205 175.900 0.098 0.000 1.142 195 Y CA 0.624 58.791 58.100 0.112 0.000 1.314 195 Y CB -0.501 37.996 38.460 0.061 0.000 0.991 195 Y HN -0.105 nan 8.280 nan 0.000 0.555 196 D N 0.068 120.259 120.400 -0.349 0.000 2.312 196 D HA -0.136 4.504 4.640 -0.000 0.000 0.211 196 D C 1.215 177.524 176.300 0.015 0.000 0.964 196 D CA 0.982 54.858 54.000 -0.207 0.000 0.877 196 D CB -0.379 40.250 40.800 -0.285 0.000 0.924 196 D HN 0.557 nan 8.370 nan 0.000 0.515 197 W N 1.374 122.742 121.300 0.113 0.000 2.354 197 W HA -0.177 4.482 4.660 -0.000 0.000 0.315 197 W C 2.743 179.331 176.519 0.117 0.000 1.206 197 W CA 0.616 58.045 57.345 0.141 0.000 1.290 197 W CB -0.428 29.087 29.460 0.092 0.000 1.152 197 W HN -0.048 nan 8.180 nan 0.000 0.489 198 Q N 1.206 121.188 119.800 0.302 0.000 2.079 198 Q HA -0.195 4.145 4.340 -0.000 0.000 0.200 198 Q C 2.182 178.233 176.000 0.085 0.000 0.974 198 Q CA 2.012 57.917 55.803 0.171 0.000 0.840 198 Q CB -0.620 28.201 28.738 0.138 0.000 0.898 198 Q HN 0.234 nan 8.270 nan 0.000 0.430 199 R N -1.193 119.336 120.500 0.049 0.000 2.134 199 R HA -0.246 4.094 4.340 -0.000 0.000 0.248 199 R C 1.475 177.590 176.300 -0.308 0.000 1.143 199 R CA 2.223 58.232 56.100 -0.152 0.000 0.957 199 R CB -0.448 29.698 30.300 -0.256 0.000 0.867 199 R HN 0.479 nan 8.270 nan 0.000 0.441 200 Y N -1.088 119.237 120.300 0.041 0.000 2.478 200 Y HA 0.276 4.826 4.550 -0.000 0.000 0.261 200 Y C 2.117 177.962 175.900 -0.091 0.000 1.127 200 Y CA 0.251 58.358 58.100 0.013 0.000 1.288 200 Y CB 0.225 38.716 38.460 0.051 0.000 1.084 200 Y HN 0.215 nan 8.280 nan 0.000 0.530 201 A N 0.134 122.974 122.820 0.034 0.000 2.019 201 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 201 A C 2.032 179.589 177.584 -0.045 0.000 1.164 201 A CA 1.223 53.220 52.037 -0.067 0.000 0.644 201 A CB -0.616 18.394 19.000 0.017 0.000 0.805 201 A HN 0.330 nan 8.150 nan 0.000 0.449 202 L N 0.103 121.319 121.223 -0.013 0.000 2.046 202 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 202 L C 2.652 179.524 176.870 0.003 0.000 1.077 202 L CA 2.317 57.149 54.840 -0.013 0.000 0.747 202 L CB -1.382 40.661 42.059 -0.027 0.000 0.896 202 L HN 0.397 nan 8.230 nan 0.000 0.432 203 S N -1.074 114.649 115.700 0.039 0.000 2.387 203 S HA -0.083 4.387 4.470 -0.000 0.000 0.226 203 S C 2.092 176.725 174.600 0.056 0.000 1.026 203 S CA 0.899 59.155 58.200 0.094 0.000 0.972 203 S CB -0.170 63.175 63.200 0.241 0.000 0.814 203 S HN 0.231 nan 8.310 nan 0.000 0.477 204 V N 1.208 121.112 119.914 -0.018 0.000 2.379 204 V HA 0.023 4.143 4.120 -0.000 0.000 0.245 204 V C 0.837 176.872 176.094 -0.099 0.000 1.044 204 V CA 0.966 63.189 62.300 -0.127 0.000 1.036 204 V CB -0.297 31.276 31.823 -0.417 0.000 0.664 204 V HN 0.289 nan 8.190 nan 0.000 0.453 205 V N 3.504 123.372 119.914 -0.077 0.000 2.239 205 V HA 0.299 4.419 4.120 -0.000 0.000 0.267 205 V C -1.988 174.096 176.094 -0.017 0.000 1.056 205 V CA -1.735 60.543 62.300 -0.036 0.000 0.830 205 V CB 0.789 32.598 31.823 -0.023 0.000 1.090 205 V HN 0.325 nan 8.190 nan 0.000 0.459 206 P HA 0.072 nan 4.420 nan 0.000 0.273 206 P C -0.228 177.053 177.300 -0.032 0.000 1.258 206 P CA -0.310 62.777 63.100 -0.022 0.000 0.802 206 P CB 0.765 32.445 31.700 -0.034 0.000 1.040 207 R N -0.542 119.927 120.500 -0.052 0.000 2.539 207 R HA 0.324 4.664 4.340 -0.000 0.000 0.275 207 R C 0.876 177.124 176.300 -0.086 0.000 1.077 207 R CA -0.115 55.947 56.100 -0.064 0.000 1.097 207 R CB -0.436 29.827 30.300 -0.062 0.000 1.018 207 R HN 0.595 nan 8.270 nan 0.000 0.483 208 G N 1.373 110.121 108.800 -0.087 0.000 2.361 208 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.260 208 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.260 208 G C 0.921 175.749 174.900 -0.120 0.000 1.261 208 G CA -0.358 44.681 45.100 -0.102 0.000 0.897 208 G HN 0.668 nan 8.290 nan 0.000 0.499 209 K N 1.101 121.436 120.400 -0.108 0.000 2.113 209 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 209 K C 1.494 178.031 176.600 -0.105 0.000 1.047 209 K CA 1.683 57.907 56.287 -0.105 0.000 0.928 209 K CB -0.105 32.348 32.500 -0.079 0.000 0.716 209 K HN 0.609 nan 8.250 nan 0.000 0.446 210 T N -2.238 112.234 114.554 -0.137 0.000 2.949 210 T HA 0.159 4.509 4.350 -0.000 0.000 0.287 210 T C 0.530 175.108 174.700 -0.203 0.000 1.034 210 T CA -0.830 61.178 62.100 -0.154 0.000 1.018 210 T CB 1.506 70.272 68.868 -0.169 0.000 1.135 210 T HN -0.040 nan 8.240 nan 0.000 0.532 211 D N 0.241 120.530 120.400 -0.184 0.000 2.097 211 D HA -0.088 4.552 4.640 -0.000 0.000 0.195 211 D C 1.792 177.909 176.300 -0.305 0.000 0.989 211 D CA 1.584 55.467 54.000 -0.194 0.000 0.827 211 D CB -0.182 40.534 40.800 -0.140 0.000 0.966 211 D HN 0.871 nan 8.370 nan 0.000 0.456 212 E N 0.467 120.441 120.200 -0.377 0.000 2.058 212 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 212 E C 2.013 177.921 176.600 -1.154 0.000 0.997 212 E CA 1.200 57.226 56.400 -0.624 0.000 0.801 212 E CB -0.052 29.341 29.700 -0.512 0.000 0.746 212 E HN 0.158 nan 8.360 nan 0.000 0.450 213 A N 1.074 123.306 122.820 -0.981 0.000 1.892 213 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 213 A C 2.090 179.398 177.584 -0.460 0.000 1.188 213 A CA 2.128 53.669 52.037 -0.827 0.000 0.631 213 A CB -0.792 18.007 19.000 -0.335 0.000 0.822 213 A HN 0.394 nan 8.150 nan 0.000 0.447 214 E N 0.162 120.150 120.200 -0.354 0.000 2.110 214 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 214 E C 1.941 178.389 176.600 -0.254 0.000 0.988 214 E CA 1.701 57.967 56.400 -0.222 0.000 0.804 214 E CB -0.369 29.221 29.700 -0.183 0.000 0.745 214 E HN 0.720 nan 8.360 nan 0.000 0.458 215 E N -0.640 119.333 120.200 -0.378 0.000 2.058 215 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 215 E C 1.607 177.967 176.600 -0.401 0.000 0.997 215 E CA 1.595 57.748 56.400 -0.411 0.000 0.801 215 E CB -0.292 29.194 29.700 -0.357 0.000 0.746 215 E HN 0.405 nan 8.360 nan 0.000 0.450 216 W N 0.353 121.585 121.300 -0.113 0.000 2.358 216 W HA -0.036 4.624 4.660 -0.000 0.000 0.303 216 W C 2.507 179.051 176.519 0.042 0.000 1.208 216 W CA 0.812 58.216 57.345 0.099 0.000 1.274 216 W CB -1.358 28.195 29.460 0.155 0.000 1.138 216 W HN 0.229 nan 8.180 nan 0.000 0.515 217 A N 1.129 124.056 122.820 0.178 0.000 1.948 217 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 217 A C 2.294 179.907 177.584 0.048 0.000 1.177 217 A CA 3.250 55.348 52.037 0.102 0.000 0.636 217 A CB -1.211 17.802 19.000 0.022 0.000 0.815 217 A HN 0.309 nan 8.150 nan 0.000 0.449 218 S N -1.021 114.635 115.700 -0.074 0.000 2.356 218 S HA -0.235 4.235 4.470 -0.000 0.000 0.223 218 S C 1.936 176.576 174.600 0.068 0.000 1.032 218 S CA 1.455 59.605 58.200 -0.083 0.000 1.005 218 S CB -1.081 61.980 63.200 -0.232 0.000 0.867 218 S HN 0.662 nan 8.310 nan 0.000 0.449 219 Y N 2.256 122.676 120.300 0.200 0.000 2.165 219 Y HA -0.056 4.494 4.550 -0.000 0.000 0.286 219 Y C 3.117 179.189 175.900 0.285 0.000 1.155 219 Y CA 0.445 58.736 58.100 0.318 0.000 1.164 219 Y CB -1.012 37.679 38.460 0.385 0.000 0.978 219 Y HN 0.460 nan 8.280 nan 0.000 0.513 220 G N 0.371 109.386 108.800 0.358 0.000 2.446 220 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 220 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 220 G C 1.621 176.616 174.900 0.157 0.000 1.168 220 G CA 0.961 46.188 45.100 0.212 0.000 0.771 220 G HN 0.316 nan 8.290 nan 0.000 0.551 221 R N -0.430 120.148 120.500 0.131 0.000 2.120 221 R HA 0.015 4.355 4.340 -0.000 0.000 0.234 221 R C 2.448 178.821 176.300 0.121 0.000 1.123 221 R CA 0.989 57.142 56.100 0.088 0.000 0.975 221 R CB -0.484 29.849 30.300 0.055 0.000 0.866 221 R HN 0.404 nan 8.270 nan 0.000 0.446 222 L N 1.082 122.413 121.223 0.181 0.000 1.988 222 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 222 L C 2.097 179.092 176.870 0.209 0.000 1.071 222 L CA 1.522 56.470 54.840 0.180 0.000 0.744 222 L CB -0.761 41.423 42.059 0.208 0.000 0.893 222 L HN 0.077 nan 8.230 nan 0.000 0.433 223 L N -0.630 120.775 121.223 0.303 0.000 2.013 223 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 223 L C 2.397 179.331 176.870 0.108 0.000 1.073 223 L CA 2.172 57.129 54.840 0.195 0.000 0.753 223 L CB -1.148 40.944 42.059 0.055 0.000 0.890 223 L HN 0.466 nan 8.230 nan 0.000 0.432 224 L N 0.381 121.664 121.223 0.101 0.000 1.955 224 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 224 L C 2.911 179.845 176.870 0.108 0.000 1.072 224 L CA 2.609 57.504 54.840 0.092 0.000 0.755 224 L CB -0.982 41.100 42.059 0.038 0.000 0.888 224 L HN 0.569 nan 8.230 nan 0.000 0.432 225 R N -1.001 119.562 120.500 0.104 0.000 2.091 225 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 225 R C 1.882 178.121 176.300 -0.102 0.000 1.136 225 R CA 1.734 57.894 56.100 0.101 0.000 0.959 225 R CB -0.907 29.482 30.300 0.147 0.000 0.856 225 R HN 0.410 nan 8.270 nan 0.000 0.437 226 E N 0.609 120.766 120.200 -0.072 0.000 2.047 226 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 226 E C 2.130 178.617 176.600 -0.187 0.000 0.987 226 E CA 1.922 58.228 56.400 -0.157 0.000 0.799 226 E CB -0.459 29.187 29.700 -0.090 0.000 0.752 226 E HN 0.475 nan 8.360 nan 0.000 0.449 227 T N 1.561 116.077 114.554 -0.064 0.000 2.643 227 T HA -0.138 4.212 4.350 -0.000 0.000 0.264 227 T C 2.010 176.754 174.700 0.072 0.000 1.045 227 T CA 1.809 63.931 62.100 0.036 0.000 1.155 227 T CB -0.383 68.580 68.868 0.158 0.000 0.863 227 T HN 0.280 nan 8.240 nan 0.000 0.420 228 A N 1.543 124.407 122.820 0.074 0.000 1.908 228 A HA -0.152 4.167 4.320 -0.000 0.000 0.218 228 A C 2.254 179.721 177.584 -0.195 0.000 1.181 228 A CA 1.946 54.056 52.037 0.123 0.000 0.627 228 A CB -0.602 18.512 19.000 0.191 0.000 0.818 228 A HN 0.460 nan 8.150 nan 0.000 0.445 229 K N -0.219 119.719 120.400 -0.770 0.000 2.009 229 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 229 K C 2.241 178.594 176.600 -0.411 0.000 1.049 229 K CA 1.976 57.571 56.287 -1.154 0.000 0.929 229 K CB -0.214 31.614 32.500 -1.119 0.000 0.714 229 K HN 0.480 nan 8.250 nan 0.000 0.440 230 K N 0.838 121.070 120.400 -0.281 0.000 2.009 230 K HA -0.151 4.169 4.320 -0.000 0.000 0.210 230 K C 2.221 178.826 176.600 0.008 0.000 1.049 230 K CA 1.459 57.635 56.287 -0.185 0.000 0.929 230 K CB -0.197 32.075 32.500 -0.380 0.000 0.714 230 K HN 0.117 nan 8.250 nan 0.000 0.440 231 L N 0.602 121.922 121.223 0.162 0.000 2.021 231 L HA -0.283 4.057 4.340 -0.000 0.000 0.215 231 L C 2.673 179.639 176.870 0.160 0.000 1.074 231 L CA 1.546 56.536 54.840 0.250 0.000 0.760 231 L CB -0.731 41.537 42.059 0.348 0.000 0.889 231 L HN 0.390 nan 8.230 nan 0.000 0.433 232 A N -0.182 122.771 122.820 0.222 0.000 1.883 232 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 232 A C 2.290 179.943 177.584 0.115 0.000 1.186 232 A CA 1.632 53.801 52.037 0.221 0.000 0.624 232 A CB -0.772 18.511 19.000 0.472 0.000 0.822 232 A HN 0.369 nan 8.150 nan 0.000 0.444 233 L N -0.001 121.264 121.223 0.070 0.000 1.989 233 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 233 L C 2.272 179.161 176.870 0.031 0.000 1.071 233 L CA 1.958 56.818 54.840 0.033 0.000 0.749 233 L CB -0.467 41.580 42.059 -0.021 0.000 0.890 233 L HN 0.696 nan 8.230 nan 0.000 0.431 234 I N -2.419 118.175 120.570 0.040 0.000 3.620 234 I HA 0.153 4.323 4.170 -0.000 0.000 0.305 234 I C 1.220 177.363 176.117 0.043 0.000 1.243 234 I CA 0.596 61.925 61.300 0.048 0.000 1.196 234 I CB -1.114 36.936 38.000 0.085 0.000 1.004 234 I HN 0.369 nan 8.210 nan 0.000 0.487 235 G N 2.396 111.215 108.800 0.031 0.000 2.187 235 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.261 235 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.261 235 G C 0.436 175.325 174.900 -0.018 0.000 1.000 235 G CA 0.711 45.815 45.100 0.007 0.000 0.718 235 G HN 0.798 nan 8.290 nan 0.000 0.519 236 T N -1.612 112.936 114.554 -0.009 0.000 3.444 236 T HA 0.600 4.950 4.350 -0.000 0.000 0.265 236 T C -1.824 172.804 174.700 -0.120 0.000 1.537 236 T CA -1.122 60.954 62.100 -0.039 0.000 1.530 236 T CB 1.914 70.799 68.868 0.027 0.000 0.958 236 T HN 0.186 nan 8.240 nan 0.000 0.684 237 P HA 0.164 nan 4.420 nan 0.000 0.238 237 P C -0.137 176.663 177.300 -0.833 0.000 1.729 237 P CA 0.101 62.672 63.100 -0.882 0.000 1.055 237 P CB -0.229 30.859 31.700 -1.020 0.000 1.980 238 S N 2.179 117.683 115.700 -0.326 0.000 2.442 238 S HA 0.325 4.795 4.470 -0.000 0.000 0.297 238 S C 1.386 176.045 174.600 0.098 0.000 1.131 238 S CA -0.698 57.434 58.200 -0.114 0.000 1.092 238 S CB 0.456 63.644 63.200 -0.020 0.000 0.998 238 S HN -0.029 nan 8.310 nan 0.000 0.478 239 M N 4.044 123.730 119.600 0.144 0.000 2.229 239 M HA 0.058 4.538 4.480 -0.000 0.000 0.264 239 M C 1.963 178.424 176.300 0.268 0.000 1.063 239 M CA 1.241 56.719 55.300 0.296 0.000 1.114 239 M CB -1.165 31.592 32.600 0.261 0.000 1.387 239 M HN 0.684 nan 8.290 nan 0.000 0.420 240 R N 0.147 120.748 120.500 0.168 0.000 2.075 240 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 240 R C 2.196 178.624 176.300 0.213 0.000 1.126 240 R CA 1.095 57.289 56.100 0.157 0.000 0.963 240 R CB 0.037 30.375 30.300 0.063 0.000 0.858 240 R HN 0.241 nan 8.270 nan 0.000 0.435 241 E N 0.472 120.773 120.200 0.169 0.000 2.031 241 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 241 E C 1.928 178.724 176.600 0.328 0.000 0.994 241 E CA 1.023 57.529 56.400 0.177 0.000 0.800 241 E CB -0.475 29.333 29.700 0.180 0.000 0.752 241 E HN 0.150 nan 8.360 nan 0.000 0.447 242 L N 0.668 122.125 121.223 0.390 0.000 1.978 242 L HA -0.212 4.128 4.340 -0.000 0.000 0.218 242 L C 2.362 179.447 176.870 0.359 0.000 1.075 242 L CA 1.811 56.908 54.840 0.429 0.000 0.767 242 L CB -1.012 41.327 42.059 0.468 0.000 0.890 242 L HN 0.116 nan 8.230 nan 0.000 0.434 243 F N -0.391 119.684 119.950 0.207 0.000 2.091 243 F HA -0.318 4.209 4.527 -0.000 0.000 0.299 243 F C 2.617 178.467 175.800 0.084 0.000 1.103 243 F CA 2.140 60.224 58.000 0.140 0.000 1.228 243 F CB -0.520 38.557 39.000 0.130 0.000 0.984 243 F HN 0.504 nan 8.300 nan 0.000 0.477 244 H N -1.065 118.087 119.070 0.137 0.000 2.251 244 H HA -0.283 4.273 4.556 -0.000 0.000 0.294 244 H C 2.163 177.370 175.328 -0.201 0.000 1.078 244 H CA 2.673 58.660 56.048 -0.100 0.000 1.246 244 H CB -1.242 28.377 29.762 -0.238 0.000 1.358 244 H HN 0.455 nan 8.280 nan 0.000 0.488 245 W N 0.418 121.515 121.300 -0.338 0.000 2.302 245 W HA -0.268 4.392 4.660 -0.000 0.000 0.320 245 W C 2.912 179.240 176.519 -0.319 0.000 1.241 245 W CA 2.211 59.328 57.345 -0.379 0.000 1.264 245 W CB -0.689 28.645 29.460 -0.210 0.000 1.154 245 W HN 0.473 nan 8.180 nan 0.000 0.483 246 T N -3.969 110.598 114.554 0.022 0.000 3.085 246 T HA -0.043 4.307 4.350 -0.000 0.000 0.263 246 T C 1.138 175.680 174.700 -0.262 0.000 1.127 246 T CA 1.450 63.493 62.100 -0.095 0.000 1.103 246 T CB -0.450 68.392 68.868 -0.042 0.000 0.921 246 T HN 0.239 nan 8.240 nan 0.000 0.510 247 T N -2.382 111.917 114.554 -0.425 0.000 3.131 247 T HA 0.411 4.761 4.350 -0.000 0.000 0.283 247 T C 1.236 175.692 174.700 -0.406 0.000 0.906 247 T CA -0.435 61.376 62.100 -0.482 0.000 0.882 247 T CB 0.160 68.573 68.868 -0.757 0.000 1.208 247 T HN 0.225 nan 8.240 nan 0.000 0.561 248 I N 1.734 122.048 120.570 -0.427 0.000 3.366 248 I HA 0.504 4.674 4.170 -0.000 0.000 0.267 248 I C 1.733 177.639 176.117 -0.352 0.000 1.149 248 I CA -0.011 61.092 61.300 -0.329 0.000 1.436 248 I CB -1.383 36.494 38.000 -0.205 0.000 1.379 248 I HN 0.326 nan 8.210 nan 0.000 0.460 249 A N 2.105 124.539 122.820 -0.643 0.000 2.577 249 A HA 0.201 4.521 4.320 -0.000 0.000 0.233 249 A C 0.932 178.448 177.584 -0.113 0.000 1.076 249 A CA 0.644 52.443 52.037 -0.398 0.000 0.767 249 A CB -0.443 18.323 19.000 -0.391 0.000 1.017 249 A HN 0.546 nan 8.150 nan 0.000 0.511 250 T N -1.259 113.287 114.554 -0.013 0.000 2.813 250 T HA 0.286 4.636 4.350 -0.000 0.000 0.297 250 T C 0.870 175.657 174.700 0.145 0.000 1.036 250 T CA 0.172 62.306 62.100 0.058 0.000 1.044 250 T CB 0.142 69.048 68.868 0.064 0.000 0.993 250 T HN 0.421 nan 8.240 nan 0.000 0.535 251 F N 1.580 121.499 119.950 -0.052 0.000 2.091 251 F HA -0.087 4.440 4.527 -0.000 0.000 0.299 251 F C 1.962 177.760 175.800 -0.004 0.000 1.103 251 F CA 2.130 60.099 58.000 -0.051 0.000 1.228 251 F CB -0.754 38.208 39.000 -0.063 0.000 0.984 251 F HN 0.672 nan 8.300 nan 0.000 0.477 252 D N -0.145 120.364 120.400 0.181 0.000 2.084 252 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 252 D C 2.038 178.400 176.300 0.103 0.000 0.990 252 D CA 1.650 55.714 54.000 0.107 0.000 0.826 252 D CB -0.770 40.091 40.800 0.101 0.000 0.971 252 D HN 0.277 nan 8.370 nan 0.000 0.453 253 D N 0.521 121.010 120.400 0.149 0.000 2.106 253 D HA -0.161 4.479 4.640 -0.000 0.000 0.191 253 D C 2.299 178.791 176.300 0.321 0.000 0.997 253 D CA 0.546 54.697 54.000 0.251 0.000 0.834 253 D CB -0.385 40.576 40.800 0.268 0.000 0.956 253 D HN 0.154 nan 8.370 nan 0.000 0.448 254 L N 1.006 122.397 121.223 0.280 0.000 1.971 254 L HA -0.233 4.107 4.340 -0.000 0.000 0.215 254 L C 2.758 179.632 176.870 0.006 0.000 1.072 254 L CA 1.423 56.375 54.840 0.187 0.000 0.758 254 L CB -0.130 41.953 42.059 0.040 0.000 0.889 254 L HN -0.008 nan 8.230 nan 0.000 0.433 255 R N -0.254 120.205 120.500 -0.070 0.000 2.140 255 R HA -0.212 4.128 4.340 -0.000 0.000 0.250 255 R C 2.054 178.323 176.300 -0.051 0.000 1.150 255 R CA 1.587 57.630 56.100 -0.096 0.000 0.966 255 R CB -1.254 28.992 30.300 -0.091 0.000 0.869 255 R HN 0.606 nan 8.270 nan 0.000 0.445 256 G N 0.581 109.386 108.800 0.008 0.000 2.453 256 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.215 256 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.215 256 G C 1.294 176.172 174.900 -0.037 0.000 1.201 256 G CA 0.595 45.704 45.100 0.015 0.000 0.784 256 G HN 0.301 nan 8.290 nan 0.000 0.545 257 F N 1.409 121.207 119.950 -0.254 0.000 2.147 257 F HA -0.070 4.457 4.527 -0.000 0.000 0.301 257 F C 2.351 177.924 175.800 -0.379 0.000 1.084 257 F CA 1.156 58.859 58.000 -0.495 0.000 1.268 257 F CB -0.202 38.044 39.000 -1.257 0.000 1.009 257 F HN 0.049 nan 8.300 nan 0.000 0.486 258 L N -0.197 120.811 121.223 -0.358 0.000 2.376 258 L HA -0.079 4.261 4.340 -0.000 0.000 0.219 258 L C 0.787 177.488 176.870 -0.282 0.000 1.133 258 L CA 0.333 54.961 54.840 -0.353 0.000 0.816 258 L CB -0.752 41.202 42.059 -0.174 0.000 0.933 258 L HN 0.027 nan 8.230 nan 0.000 0.449 259 E N 0.095 120.164 120.200 -0.218 0.000 2.529 259 E HA 0.055 4.405 4.350 -0.000 0.000 0.259 259 E C 1.093 177.577 176.600 -0.194 0.000 0.966 259 E CA 0.701 57.005 56.400 -0.160 0.000 0.937 259 E CB 0.324 29.958 29.700 -0.110 0.000 0.923 259 E HN 0.351 nan 8.360 nan 0.000 0.468 260 G N 2.780 111.489 108.800 -0.152 0.000 2.258 260 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.233 260 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.233 260 G C 0.439 175.241 174.900 -0.164 0.000 1.006 260 G CA 0.218 45.229 45.100 -0.149 0.000 0.620 260 G HN 0.666 nan 8.290 nan 0.000 0.511 261 T N -0.312 114.124 114.554 -0.198 0.000 2.928 261 T HA 0.690 5.040 4.350 -0.000 0.000 0.284 261 T C 1.726 176.343 174.700 -0.138 0.000 1.008 261 T CA -0.164 61.822 62.100 -0.189 0.000 1.057 261 T CB 1.806 70.526 68.868 -0.247 0.000 1.018 261 T HN 0.289 nan 8.240 nan 0.000 0.493 262 L N 0.989 122.140 121.223 -0.120 0.000 2.137 262 L HA -0.161 4.179 4.340 -0.000 0.000 0.213 262 L C 2.963 179.772 176.870 -0.103 0.000 1.085 262 L CA 1.705 56.486 54.840 -0.097 0.000 0.760 262 L CB -0.904 41.105 42.059 -0.083 0.000 0.893 262 L HN 0.932 nan 8.230 nan 0.000 0.434 263 A N -0.640 122.122 122.820 -0.097 0.000 2.168 263 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 263 A C 2.153 179.703 177.584 -0.057 0.000 1.152 263 A CA 1.094 53.085 52.037 -0.077 0.000 0.716 263 A CB -0.390 18.630 19.000 0.034 0.000 0.794 263 A HN 0.503 nan 8.150 nan 0.000 0.465 264 E N 0.304 120.454 120.200 -0.082 0.000 2.072 264 E HA -0.269 4.081 4.350 -0.000 0.000 0.218 264 E C 2.010 178.577 176.600 -0.055 0.000 1.051 264 E CA 2.177 58.531 56.400 -0.077 0.000 0.880 264 E CB -0.200 29.445 29.700 -0.091 0.000 0.783 264 E HN 0.547 nan 8.360 nan 0.000 0.473 265 S N 0.152 115.811 115.700 -0.069 0.000 2.377 265 S HA -0.017 4.453 4.470 -0.000 0.000 0.223 265 S C 2.033 176.582 174.600 -0.085 0.000 1.030 265 S CA 0.746 58.909 58.200 -0.062 0.000 0.970 265 S CB -0.226 62.938 63.200 -0.060 0.000 0.830 265 S HN 0.259 nan 8.310 nan 0.000 0.473 266 L N 0.063 121.192 121.223 -0.157 0.000 2.103 266 L HA -0.160 4.180 4.340 -0.000 0.000 0.215 266 L C 1.334 178.011 176.870 -0.321 0.000 1.080 266 L CA 1.506 56.178 54.840 -0.279 0.000 0.764 266 L CB -0.584 41.212 42.059 -0.439 0.000 0.890 266 L HN 0.292 nan 8.230 nan 0.000 0.435 267 F N -0.290 119.603 119.950 -0.095 0.000 2.660 267 F HA 0.416 4.943 4.527 -0.000 0.000 0.297 267 F C 0.724 176.455 175.800 -0.115 0.000 1.132 267 F CA -0.491 57.431 58.000 -0.130 0.000 1.372 267 F CB 0.227 39.116 39.000 -0.184 0.000 1.003 267 F HN -0.022 nan 8.300 nan 0.000 0.524 268 A N -0.812 122.046 122.820 0.063 0.000 2.549 268 A HA 0.691 5.011 4.320 -0.000 0.000 0.297 268 A C 0.489 178.087 177.584 0.023 0.000 1.061 268 A CA 0.069 52.132 52.037 0.042 0.000 0.690 268 A CB 1.219 20.232 19.000 0.021 0.000 1.287 268 A HN 0.374 nan 8.150 nan 0.000 0.402 269 G N -0.257 108.561 108.800 0.031 0.000 2.421 269 G HA2 0.360 4.320 3.960 -0.000 0.000 0.188 269 G HA3 0.360 4.320 3.960 -0.000 0.000 0.188 269 G C 0.271 175.186 174.900 0.025 0.000 1.001 269 G CA 0.724 45.836 45.100 0.020 0.000 0.693 269 G HN 2.546 nan 8.290 nan 0.000 0.479 270 S N -1.191 114.531 115.700 0.036 0.000 2.636 270 S HA 0.508 4.978 4.470 -0.000 0.000 0.266 270 S C 0.503 175.132 174.600 0.049 0.000 1.147 270 S CA 0.180 58.401 58.200 0.036 0.000 0.815 270 S CB 0.569 63.786 63.200 0.028 0.000 1.119 270 S HN 0.005 nan 8.310 nan 0.000 0.470 271 N N 0.914 119.640 118.700 0.043 0.000 2.166 271 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 271 N C 1.460 177.004 175.510 0.055 0.000 1.019 271 N CA 1.684 54.762 53.050 0.047 0.000 0.856 271 N CB -0.577 37.930 38.487 0.033 0.000 0.993 271 N HN 0.769 nan 8.380 nan 0.000 0.426 272 E N 1.657 121.887 120.200 0.050 0.000 2.049 272 E HA -0.111 4.239 4.350 -0.000 0.000 0.198 272 E C 1.882 178.510 176.600 0.045 0.000 1.007 272 E CA 1.616 58.047 56.400 0.052 0.000 0.809 272 E CB -0.469 29.262 29.700 0.051 0.000 0.749 272 E HN 0.303 nan 8.360 nan 0.000 0.450 273 A N -0.168 122.681 122.820 0.048 0.000 1.917 273 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 273 A C 2.505 180.171 177.584 0.136 0.000 1.182 273 A CA 2.231 54.307 52.037 0.065 0.000 0.633 273 A CB -0.929 18.104 19.000 0.055 0.000 0.819 273 A HN 0.311 nan 8.150 nan 0.000 0.448 274 S N -0.955 114.833 115.700 0.146 0.000 2.383 274 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 274 S C 2.008 176.728 174.600 0.198 0.000 1.026 274 S CA 1.425 59.775 58.200 0.251 0.000 0.981 274 S CB -0.210 63.150 63.200 0.267 0.000 0.818 274 S HN 0.684 nan 8.310 nan 0.000 0.472 275 K N 1.534 121.994 120.400 0.100 0.000 2.032 275 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 275 K C 2.216 178.829 176.600 0.021 0.000 1.048 275 K CA 1.304 57.628 56.287 0.063 0.000 0.927 275 K CB -0.415 32.122 32.500 0.062 0.000 0.712 275 K HN 0.275 nan 8.250 nan 0.000 0.441 276 A N 1.946 124.724 122.820 -0.070 0.000 1.873 276 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 276 A C 2.211 179.699 177.584 -0.159 0.000 1.193 276 A CA 1.695 53.496 52.037 -0.393 0.000 0.629 276 A CB -0.879 17.820 19.000 -0.501 0.000 0.826 276 A HN 0.434 nan 8.150 nan 0.000 0.447 277 L N -0.750 120.390 121.223 -0.137 0.000 1.970 277 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 277 L C 2.833 179.582 176.870 -0.202 0.000 1.071 277 L CA 2.376 56.848 54.840 -0.613 0.000 0.751 277 L CB -0.896 40.782 42.059 -0.636 0.000 0.889 277 L HN 0.470 nan 8.230 nan 0.000 0.432 278 T N -0.554 114.056 114.554 0.094 0.000 2.624 278 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 278 T C 1.959 176.704 174.700 0.076 0.000 1.041 278 T CA 1.908 64.056 62.100 0.080 0.000 1.159 278 T CB -0.361 68.555 68.868 0.079 0.000 0.863 278 T HN 0.405 nan 8.240 nan 0.000 0.434 279 S N 1.610 117.360 115.700 0.083 0.000 2.359 279 S HA -0.145 4.325 4.470 -0.000 0.000 0.223 279 S C 2.612 177.320 174.600 0.180 0.000 1.039 279 S CA 1.166 59.417 58.200 0.084 0.000 1.042 279 S CB -0.851 62.443 63.200 0.156 0.000 0.915 279 S HN 0.645 nan 8.310 nan 0.000 0.439 280 A N 2.510 125.427 122.820 0.161 0.000 1.892 280 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 280 A C 2.206 179.805 177.584 0.026 0.000 1.188 280 A CA 1.447 53.564 52.037 0.134 0.000 0.631 280 A CB -0.554 18.458 19.000 0.020 0.000 0.822 280 A HN 0.309 nan 8.150 nan 0.000 0.447 281 R N -1.271 119.176 120.500 -0.089 0.000 2.097 281 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 281 R C 1.975 178.193 176.300 -0.136 0.000 1.135 281 R CA 1.831 57.824 56.100 -0.178 0.000 0.934 281 R CB -1.210 28.915 30.300 -0.291 0.000 0.846 281 R HN 0.631 nan 8.270 nan 0.000 0.431 282 F N 0.828 120.736 119.950 -0.070 0.000 2.091 282 F HA -0.275 4.252 4.527 -0.000 0.000 0.299 282 F C 2.684 178.474 175.800 -0.016 0.000 1.103 282 F CA 1.352 59.313 58.000 -0.066 0.000 1.228 282 F CB -0.684 38.241 39.000 -0.125 0.000 0.984 282 F HN -0.200 nan 8.300 nan 0.000 0.477 283 V N 0.088 120.134 119.914 0.219 0.000 2.215 283 V HA -0.355 3.765 4.120 -0.000 0.000 0.249 283 V C 2.293 178.459 176.094 0.120 0.000 1.054 283 V CA 1.857 64.262 62.300 0.175 0.000 1.012 283 V CB -0.914 31.021 31.823 0.187 0.000 0.639 283 V HN 0.193 nan 8.190 nan 0.000 0.448 284 L N 1.224 122.493 121.223 0.077 0.000 2.089 284 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 284 L C 2.699 179.619 176.870 0.082 0.000 1.079 284 L CA 2.506 57.377 54.840 0.052 0.000 0.758 284 L CB -1.342 40.719 42.059 0.003 0.000 0.891 284 L HN 0.644 nan 8.230 nan 0.000 0.433 285 S N -2.159 113.567 115.700 0.043 0.000 2.474 285 S HA -0.129 4.341 4.470 -0.000 0.000 0.235 285 S C 1.546 176.261 174.600 0.191 0.000 0.997 285 S CA 1.105 59.357 58.200 0.087 0.000 0.949 285 S CB -0.270 62.930 63.200 -0.000 0.000 0.766 285 S HN 0.446 nan 8.310 nan 0.000 0.517 286 D N 1.120 121.615 120.400 0.159 0.000 2.262 286 D HA 0.121 4.761 4.640 -0.000 0.000 0.212 286 D C 1.939 178.321 176.300 0.138 0.000 0.964 286 D CA 0.691 54.779 54.000 0.147 0.000 0.875 286 D CB 0.062 40.939 40.800 0.128 0.000 0.996 286 D HN 0.276 nan 8.370 nan 0.000 0.497 287 K N 0.830 121.307 120.400 0.127 0.000 2.044 287 K HA 0.112 4.432 4.320 -0.000 0.000 0.204 287 K C 2.448 179.154 176.600 0.177 0.000 1.045 287 K CA 0.122 56.475 56.287 0.111 0.000 0.951 287 K CB -0.754 31.770 32.500 0.040 0.000 0.738 287 K HN 0.150 nan 8.250 nan 0.000 0.443 288 L N 1.363 122.696 121.223 0.184 0.000 2.043 288 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 288 L C -0.709 176.344 176.870 0.306 0.000 1.075 288 L CA 1.392 56.396 54.840 0.274 0.000 0.752 288 L CB -1.809 40.497 42.059 0.411 0.000 0.891 288 L HN 0.090 nan 8.230 nan 0.000 0.432 289 P HA -0.274 nan 4.420 nan 0.000 0.214 289 P C 1.348 178.669 177.300 0.034 0.000 1.099 289 P CA 1.693 64.827 63.100 0.057 0.000 0.976 289 P CB -0.036 31.735 31.700 0.119 0.000 0.774 290 E N -1.832 118.419 120.200 0.085 0.000 2.118 290 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 290 E C 2.105 178.709 176.600 0.005 0.000 0.992 290 E CA 1.188 57.603 56.400 0.025 0.000 0.804 290 E CB -1.020 28.657 29.700 -0.038 0.000 0.741 290 E HN 0.531 nan 8.360 nan 0.000 0.458 291 H N -0.119 118.985 119.070 0.057 0.000 2.387 291 H HA -0.076 4.480 4.556 -0.000 0.000 0.299 291 H C 2.208 177.622 175.328 0.143 0.000 1.099 291 H CA 1.431 57.574 56.048 0.158 0.000 1.315 291 H CB 0.177 30.073 29.762 0.224 0.000 1.380 291 H HN 0.016 nan 8.280 nan 0.000 0.513 292 V N 0.752 120.772 119.914 0.175 0.000 2.244 292 V HA -0.198 3.922 4.120 -0.000 0.000 0.244 292 V C 2.615 178.718 176.094 0.015 0.000 1.042 292 V CA 2.197 64.531 62.300 0.058 0.000 1.006 292 V CB -0.956 30.773 31.823 -0.158 0.000 0.641 292 V HN 0.559 nan 8.190 nan 0.000 0.446 293 T N -2.241 112.296 114.554 -0.029 0.000 3.219 293 T HA -0.025 4.325 4.350 -0.000 0.000 0.264 293 T C 0.695 175.369 174.700 -0.044 0.000 1.178 293 T CA 0.421 62.503 62.100 -0.029 0.000 1.057 293 T CB -0.416 68.448 68.868 -0.008 0.000 0.919 293 T HN 0.128 nan 8.240 nan 0.000 0.545 294 M N 2.536 122.138 119.600 0.003 0.000 2.185 294 M HA 0.359 4.839 4.480 -0.000 0.000 0.357 294 M C -2.472 173.864 176.300 0.061 0.000 1.260 294 M CA -2.543 52.773 55.300 0.027 0.000 1.124 294 M CB 0.956 33.645 32.600 0.148 0.000 1.600 294 M HN -0.062 nan 8.290 nan 0.000 0.467 295 P HA -0.011 nan 4.420 nan 0.000 0.263 295 P C -1.160 176.194 177.300 0.090 0.000 1.175 295 P CA 0.354 63.480 63.100 0.044 0.000 0.761 295 P CB 0.369 32.084 31.700 0.025 0.000 0.794 296 D N 0.712 121.151 120.400 0.065 0.000 2.283 296 D HA 0.662 5.302 4.640 -0.000 0.000 0.248 296 D C 0.658 177.002 176.300 0.073 0.000 1.072 296 D CA 0.348 54.390 54.000 0.070 0.000 0.929 296 D CB 0.963 41.782 40.800 0.031 0.000 1.182 296 D HN 0.452 nan 8.370 nan 0.000 0.433 297 G N 0.070 108.922 108.800 0.086 0.000 2.490 297 G HA2 0.310 4.270 3.960 -0.000 0.000 0.308 297 G HA3 0.310 4.270 3.960 -0.000 0.000 0.308 297 G C -1.032 173.922 174.900 0.090 0.000 1.286 297 G CA -0.627 44.532 45.100 0.098 0.000 0.825 297 G HN 0.448 nan 8.290 nan 0.000 0.479 298 D N -1.133 119.335 120.400 0.114 0.000 2.469 298 D HA 0.191 4.831 4.640 -0.000 0.000 0.215 298 D C 0.363 176.738 176.300 0.125 0.000 1.154 298 D CA -0.626 53.418 54.000 0.073 0.000 0.832 298 D CB 0.002 40.825 40.800 0.039 0.000 1.008 298 D HN 0.193 nan 8.370 nan 0.000 0.506 299 F N 2.163 122.173 119.950 0.100 0.000 2.629 299 F HA 0.225 4.752 4.527 -0.000 0.000 0.369 299 F C 0.281 176.217 175.800 0.226 0.000 1.125 299 F CA 0.387 58.475 58.000 0.147 0.000 1.330 299 F CB 0.852 39.933 39.000 0.136 0.000 1.071 299 F HN -0.107 nan 8.300 nan 0.000 0.595 300 S N 6.821 122.090 115.700 -0.720 0.000 2.707 300 S HA 0.387 4.857 4.470 -0.000 0.000 0.303 300 S C 0.896 175.213 174.600 -0.471 0.000 1.132 300 S CA -0.858 57.144 58.200 -0.329 0.000 1.046 300 S CB 0.490 63.584 63.200 -0.176 0.000 1.004 300 S HN 0.716 nan 8.310 nan 0.000 0.483 301 I N 4.431 125.004 120.570 0.005 0.000 2.194 301 I HA -0.239 3.931 4.170 -0.000 0.000 0.246 301 I C 2.679 178.943 176.117 0.244 0.000 1.093 301 I CA 1.250 62.684 61.300 0.224 0.000 1.355 301 I CB -0.198 37.984 38.000 0.302 0.000 1.046 301 I HN 0.655 nan 8.210 nan 0.000 0.413 302 R N 0.455 121.041 120.500 0.143 0.000 2.088 302 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 302 R C 2.541 178.880 176.300 0.065 0.000 1.136 302 R CA 1.984 58.155 56.100 0.117 0.000 0.926 302 R CB -0.662 29.683 30.300 0.075 0.000 0.837 302 R HN 0.259 nan 8.270 nan 0.000 0.429 303 S N 0.435 116.132 115.700 -0.006 0.000 2.372 303 S HA -0.242 4.228 4.470 -0.000 0.000 0.227 303 S C 1.411 176.018 174.600 0.011 0.000 1.044 303 S CA 1.638 59.821 58.200 -0.030 0.000 1.050 303 S CB -0.521 62.625 63.200 -0.090 0.000 0.901 303 S HN 0.483 nan 8.310 nan 0.000 0.447 304 W N 2.375 123.555 121.300 -0.200 0.000 2.318 304 W HA -0.142 4.518 4.660 -0.000 0.000 0.313 304 W C 1.758 178.284 176.519 0.011 0.000 1.221 304 W CA 1.235 58.532 57.345 -0.080 0.000 1.266 304 W CB -0.675 28.776 29.460 -0.015 0.000 1.150 304 W HN 0.206 nan 8.180 nan 0.000 0.496 305 L N 0.352 121.559 121.223 -0.027 0.000 2.042 305 L HA -0.240 4.099 4.340 -0.000 0.000 0.210 305 L C 2.391 179.132 176.870 -0.214 0.000 1.076 305 L CA 2.012 56.712 54.840 -0.233 0.000 0.749 305 L CB -0.907 41.156 42.059 0.007 0.000 0.893 305 L HN 0.100 nan 8.230 nan 0.000 0.432 306 E N -0.678 119.458 120.200 -0.106 0.000 2.208 306 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 306 E C 0.564 177.104 176.600 -0.101 0.000 0.988 306 E CA 0.235 56.585 56.400 -0.083 0.000 0.828 306 E CB -0.075 29.603 29.700 -0.037 0.000 0.763 306 E HN 0.302 nan 8.360 nan 0.000 0.478 307 D N 0.781 121.109 120.400 -0.120 0.000 2.339 307 D HA 0.014 4.654 4.640 -0.000 0.000 0.256 307 D C -1.877 174.338 176.300 -0.142 0.000 1.214 307 D CA -2.177 51.766 54.000 -0.094 0.000 0.877 307 D CB 1.371 42.147 40.800 -0.040 0.000 1.111 307 D HN -0.216 nan 8.370 nan 0.000 0.478 308 P HA -0.069 nan 4.420 nan 0.000 0.214 308 P C 0.653 177.914 177.300 -0.064 0.000 1.162 308 P CA 0.822 63.870 63.100 -0.087 0.000 0.874 308 P CB 0.189 31.859 31.700 -0.050 0.000 0.784 309 N N -0.385 118.302 118.700 -0.022 0.000 2.609 309 N HA -0.047 4.693 4.740 -0.000 0.000 0.190 309 N C 1.849 177.385 175.510 0.044 0.000 1.157 309 N CA 1.009 54.069 53.050 0.017 0.000 0.918 309 N CB -0.770 37.737 38.487 0.033 0.000 0.978 309 N HN 0.192 nan 8.380 nan 0.000 0.448 310 G N 0.855 109.649 108.800 -0.010 0.000 2.547 310 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.221 310 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.221 310 G C 0.933 175.994 174.900 0.270 0.000 1.140 310 G CA 1.273 46.399 45.100 0.043 0.000 0.760 310 G HN 0.650 nan 8.290 nan 0.000 0.583 311 G N -0.769 108.140 108.800 0.182 0.000 2.482 311 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.214 311 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.214 311 G C -0.714 174.451 174.900 0.441 0.000 1.271 311 G CA -0.037 45.244 45.100 0.301 0.000 0.944 311 G HN 0.637 nan 8.290 nan 0.000 0.568 312 N N -0.452 118.548 118.700 0.500 0.000 2.328 312 N HA 0.685 5.425 4.740 -0.000 0.000 0.299 312 N C -0.943 174.808 175.510 0.402 0.000 1.179 312 N CA -0.551 52.806 53.050 0.512 0.000 0.793 312 N CB 2.124 40.753 38.487 0.237 0.000 1.366 312 N HN 0.617 nan 8.380 nan 0.000 0.493 313 L N 1.688 122.997 121.223 0.143 0.000 2.325 313 L HA 0.513 4.853 4.340 -0.000 0.000 0.281 313 L C -1.394 175.313 176.870 -0.272 0.000 1.004 313 L CA -0.660 54.023 54.840 -0.261 0.000 0.823 313 L CB 0.580 42.157 42.059 -0.803 0.000 1.236 313 L HN 0.391 nan 8.230 nan 0.000 0.415 314 F N 5.389 125.241 119.950 -0.162 0.000 2.402 314 F HA 0.444 4.971 4.527 -0.000 0.000 0.355 314 F C 0.266 175.993 175.800 -0.122 0.000 1.123 314 F CA -0.507 57.444 58.000 -0.082 0.000 1.021 314 F CB 1.372 40.342 39.000 -0.051 0.000 1.160 314 F HN 0.197 nan 8.300 nan 0.000 0.451 315 I N 3.935 124.571 120.570 0.111 0.000 2.307 315 I HA 0.271 4.441 4.170 -0.000 0.000 0.287 315 I C 0.185 176.537 176.117 0.390 0.000 1.054 315 I CA -0.246 61.124 61.300 0.117 0.000 1.218 315 I CB 0.702 38.785 38.000 0.139 0.000 1.398 315 I HN 0.632 nan 8.210 nan 0.000 0.475 316 T N 2.284 117.052 114.554 0.357 0.000 2.940 316 T HA 0.803 5.152 4.350 -0.000 0.000 0.288 316 T C -1.005 174.042 174.700 0.578 0.000 1.045 316 T CA -0.664 61.665 62.100 0.382 0.000 1.018 316 T CB 2.225 71.173 68.868 0.132 0.000 1.151 316 T HN 0.702 nan 8.240 nan 0.000 0.529 317 W N -0.886 120.433 121.300 0.033 0.000 3.064 317 W HA 0.629 5.289 4.660 -0.000 0.000 0.328 317 W C -1.801 174.653 176.519 -0.108 0.000 1.210 317 W CA -1.283 56.059 57.345 -0.006 0.000 1.178 317 W CB 0.780 30.275 29.460 0.059 0.000 1.416 317 W HN 0.768 nan 8.180 nan 0.000 0.568 318 R N 1.885 122.319 120.500 -0.110 0.000 2.297 318 R HA 0.172 4.512 4.340 -0.000 0.000 0.308 318 R C 0.957 177.217 176.300 -0.066 0.000 1.029 318 R CA -0.518 55.425 56.100 -0.262 0.000 0.929 318 R CB 1.544 31.623 30.300 -0.368 0.000 1.046 318 R HN 0.747 nan 8.270 nan 0.000 0.461 319 E N 1.538 121.649 120.200 -0.148 0.000 2.114 319 E HA -0.264 4.086 4.350 -0.000 0.000 0.199 319 E C 0.962 177.607 176.600 0.075 0.000 1.008 319 E CA 1.958 58.356 56.400 -0.003 0.000 0.810 319 E CB 0.102 29.767 29.700 -0.058 0.000 0.739 319 E HN 0.639 nan 8.360 nan 0.000 0.456 320 D N -0.643 119.764 120.400 0.012 0.000 2.392 320 D HA -0.172 4.468 4.640 -0.000 0.000 0.228 320 D C 1.270 177.589 176.300 0.031 0.000 1.003 320 D CA 0.860 54.868 54.000 0.013 0.000 0.917 320 D CB -0.101 40.687 40.800 -0.021 0.000 0.890 320 D HN 0.285 nan 8.370 nan 0.000 0.532 321 M N -0.607 119.042 119.600 0.082 0.000 2.306 321 M HA 0.291 4.771 4.480 -0.000 0.000 0.292 321 M C 1.850 178.223 176.300 0.121 0.000 1.018 321 M CA 0.036 55.383 55.300 0.077 0.000 1.007 321 M CB 1.336 33.957 32.600 0.035 0.000 1.510 321 M HN 0.085 nan 8.290 nan 0.000 0.537 322 G N 2.887 111.817 108.800 0.217 0.000 2.513 322 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 322 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 322 G C -0.590 174.297 174.900 -0.021 0.000 1.160 322 G CA 0.911 46.090 45.100 0.132 0.000 0.767 322 G HN 0.321 nan 8.290 nan 0.000 0.571 323 P HA -0.079 nan 4.420 nan 0.000 0.215 323 P C 2.086 179.375 177.300 -0.018 0.000 1.153 323 P CA 2.056 65.155 63.100 -0.002 0.000 0.853 323 P CB -0.219 31.492 31.700 0.018 0.000 0.788 324 A N 0.366 123.184 122.820 -0.004 0.000 1.883 324 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 324 A C 2.389 179.957 177.584 -0.026 0.000 1.186 324 A CA 1.626 53.666 52.037 0.005 0.000 0.624 324 A CB -1.586 17.430 19.000 0.027 0.000 0.822 324 A HN 0.178 nan 8.150 nan 0.000 0.444 325 L N -1.355 119.821 121.223 -0.078 0.000 2.492 325 L HA 0.042 4.382 4.340 -0.000 0.000 0.223 325 L C 2.404 179.114 176.870 -0.266 0.000 1.132 325 L CA 0.601 55.336 54.840 -0.175 0.000 0.850 325 L CB -0.372 41.560 42.059 -0.212 0.000 0.966 325 L HN 0.455 nan 8.230 nan 0.000 0.454 326 R N 1.432 121.799 120.500 -0.221 0.000 2.133 326 R HA -0.205 4.135 4.340 -0.000 0.000 0.245 326 R C -0.473 175.726 176.300 -0.168 0.000 1.137 326 R CA 2.427 58.405 56.100 -0.202 0.000 0.947 326 R CB -1.238 28.995 30.300 -0.112 0.000 0.865 326 R HN 0.224 nan 8.270 nan 0.000 0.437 327 P HA -0.184 nan 4.420 nan 0.000 0.218 327 P C 1.558 178.782 177.300 -0.127 0.000 1.149 327 P CA 1.233 64.289 63.100 -0.074 0.000 0.817 327 P CB -0.147 31.549 31.700 -0.006 0.000 0.785 328 L N -0.418 120.645 121.223 -0.267 0.000 1.988 328 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 328 L C 2.725 179.143 176.870 -0.752 0.000 1.071 328 L CA 1.558 56.031 54.840 -0.613 0.000 0.744 328 L CB -0.714 40.866 42.059 -0.797 0.000 0.893 328 L HN -0.179 nan 8.230 nan 0.000 0.433 329 I N -0.509 119.741 120.570 -0.534 0.000 2.151 329 I HA -0.359 3.811 4.170 -0.000 0.000 0.243 329 I C 2.566 178.615 176.117 -0.113 0.000 1.080 329 I CA 1.561 62.715 61.300 -0.244 0.000 1.339 329 I CB -0.504 37.304 38.000 -0.320 0.000 1.039 329 I HN 0.241 nan 8.210 nan 0.000 0.409 330 S N 0.704 116.326 115.700 -0.131 0.000 2.402 330 S HA -0.215 4.255 4.470 -0.000 0.000 0.233 330 S C 2.223 176.824 174.600 0.000 0.000 1.030 330 S CA 1.371 59.549 58.200 -0.037 0.000 1.003 330 S CB -0.434 62.740 63.200 -0.044 0.000 0.813 330 S HN 0.583 nan 8.310 nan 0.000 0.477 331 A N 1.503 124.282 122.820 -0.068 0.000 1.858 331 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 331 A C 1.894 179.528 177.584 0.084 0.000 1.190 331 A CA 1.245 53.280 52.037 -0.002 0.000 0.617 331 A CB -0.945 18.039 19.000 -0.027 0.000 0.827 331 A HN 0.595 nan 8.150 nan 0.000 0.443 332 W N 0.211 121.477 121.300 -0.057 0.000 2.315 332 W HA -0.166 4.494 4.660 -0.000 0.000 0.323 332 W C 2.441 178.960 176.519 -0.001 0.000 1.233 332 W CA 1.305 58.580 57.345 -0.117 0.000 1.267 332 W CB -1.493 27.825 29.460 -0.236 0.000 1.160 332 W HN 0.189 nan 8.180 nan 0.000 0.474 333 V N 0.738 120.810 119.914 0.263 0.000 2.231 333 V HA -0.364 3.755 4.120 -0.000 0.000 0.250 333 V C 2.296 178.498 176.094 0.181 0.000 1.058 333 V CA 2.517 64.933 62.300 0.193 0.000 1.022 333 V CB -1.170 30.744 31.823 0.152 0.000 0.640 333 V HN 0.154 nan 8.190 nan 0.000 0.445 334 D N -0.087 120.412 120.400 0.165 0.000 2.104 334 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 334 D C 2.175 178.594 176.300 0.199 0.000 0.994 334 D CA 1.859 55.951 54.000 0.152 0.000 0.830 334 D CB -0.063 40.813 40.800 0.125 0.000 0.959 334 D HN 0.272 nan 8.370 nan 0.000 0.452 335 V N 0.768 120.856 119.914 0.291 0.000 2.317 335 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 335 V C 2.829 179.137 176.094 0.356 0.000 1.065 335 V CA 1.552 64.113 62.300 0.435 0.000 1.049 335 V CB -0.509 31.616 31.823 0.504 0.000 0.651 335 V HN 0.137 nan 8.190 nan 0.000 0.450 336 V N -1.378 118.702 119.914 0.277 0.000 2.295 336 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 336 V C 2.516 178.717 176.094 0.180 0.000 1.049 336 V CA 2.181 64.625 62.300 0.240 0.000 1.024 336 V CB -0.863 31.093 31.823 0.222 0.000 0.648 336 V HN 0.661 nan 8.190 nan 0.000 0.447 337 C N 0.048 119.435 119.300 0.144 0.000 2.391 337 C HA -0.211 4.249 4.460 -0.000 0.000 0.276 337 C C 2.958 177.989 174.990 0.068 0.000 1.217 337 C CA 2.006 61.074 59.018 0.083 0.000 1.766 337 C CB -1.314 26.465 27.740 0.066 0.000 2.046 337 C HN 0.671 nan 8.230 nan 0.000 0.475 338 T N -0.139 114.464 114.554 0.083 0.000 2.894 338 T HA -0.067 4.283 4.350 -0.000 0.000 0.258 338 T C 2.012 176.766 174.700 0.090 0.000 1.043 338 T CA 1.420 63.540 62.100 0.034 0.000 1.141 338 T CB -0.285 68.532 68.868 -0.085 0.000 0.873 338 T HN 0.519 nan 8.240 nan 0.000 0.449 339 S N 2.402 118.214 115.700 0.187 0.000 2.369 339 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 339 S C 2.156 176.842 174.600 0.142 0.000 1.043 339 S CA 1.856 60.191 58.200 0.225 0.000 1.074 339 S CB -0.677 62.694 63.200 0.285 0.000 0.962 339 S HN 0.699 nan 8.310 nan 0.000 0.433 340 I N 0.122 120.762 120.570 0.116 0.000 2.597 340 I HA -0.111 4.059 4.170 -0.000 0.000 0.262 340 I C 1.619 177.763 176.117 0.045 0.000 1.194 340 I CA 1.186 62.527 61.300 0.069 0.000 1.437 340 I CB -0.606 37.424 38.000 0.051 0.000 1.096 340 I HN 0.104 nan 8.210 nan 0.000 0.451 341 L N 0.080 121.334 121.223 0.052 0.000 2.552 341 L HA 0.069 4.409 4.340 -0.000 0.000 0.227 341 L C 2.026 178.923 176.870 0.045 0.000 1.146 341 L CA 1.197 56.057 54.840 0.034 0.000 0.858 341 L CB -0.829 41.245 42.059 0.025 0.000 0.969 341 L HN 0.330 nan 8.230 nan 0.000 0.451 342 S N -1.542 114.200 115.700 0.070 0.000 2.523 342 S HA 0.288 4.758 4.470 -0.000 0.000 0.217 342 S C 0.701 175.334 174.600 0.055 0.000 0.996 342 S CA -0.480 57.767 58.200 0.079 0.000 0.921 342 S CB 0.218 63.494 63.200 0.127 0.000 0.829 342 S HN 0.134 nan 8.310 nan 0.000 0.495 343 L N 4.006 125.252 121.223 0.039 0.000 2.514 343 L HA 0.135 4.475 4.340 -0.000 0.000 0.280 343 L C -1.841 175.033 176.870 0.007 0.000 1.223 343 L CA -1.242 53.608 54.840 0.017 0.000 0.864 343 L CB -0.272 41.788 42.059 0.001 0.000 1.118 343 L HN 0.075 nan 8.230 nan 0.000 0.494 344 P HA 0.011 nan 4.420 nan 0.000 0.268 344 P C -0.853 176.439 177.300 -0.012 0.000 1.204 344 P CA -0.447 62.651 63.100 -0.003 0.000 0.768 344 P CB 0.411 32.108 31.700 -0.005 0.000 0.842 345 E N 1.456 121.648 120.200 -0.013 0.000 2.417 345 E HA 0.115 4.465 4.350 -0.000 0.000 0.261 345 E C -0.336 176.250 176.600 -0.024 0.000 1.000 345 E CA -0.114 56.274 56.400 -0.020 0.000 0.919 345 E CB 0.261 29.950 29.700 -0.019 0.000 0.955 345 E HN 0.271 nan 8.360 nan 0.000 0.455 346 E N 4.184 124.366 120.200 -0.031 0.000 2.502 346 E HA 0.273 4.623 4.350 -0.000 0.000 0.261 346 E C -2.370 174.207 176.600 -0.039 0.000 0.974 346 E CA -2.495 53.885 56.400 -0.033 0.000 0.795 346 E CB 1.405 31.082 29.700 -0.037 0.000 1.385 346 E HN 0.337 nan 8.360 nan 0.000 0.400 347 P HA -0.126 nan 4.420 nan 0.000 0.222 347 P C 0.190 177.465 177.300 -0.042 0.000 1.142 347 P CA 1.071 64.147 63.100 -0.040 0.000 0.788 347 P CB 0.292 31.972 31.700 -0.033 0.000 0.767 348 K N -1.219 119.158 120.400 -0.038 0.000 2.374 348 K HA 0.081 4.401 4.320 -0.000 0.000 0.196 348 K C 0.873 177.447 176.600 -0.042 0.000 1.023 348 K CA -0.233 56.032 56.287 -0.036 0.000 1.103 348 K CB 0.321 32.804 32.500 -0.028 0.000 0.848 348 K HN 0.114 nan 8.250 nan 0.000 0.528 349 R N 1.777 122.246 120.500 -0.053 0.000 2.390 349 R HA 0.147 4.487 4.340 -0.000 0.000 0.291 349 R C -0.673 175.579 176.300 -0.079 0.000 1.070 349 R CA -0.034 56.028 56.100 -0.063 0.000 1.014 349 R CB 0.566 30.825 30.300 -0.069 0.000 1.007 349 R HN -0.050 nan 8.270 nan 0.000 0.466 350 R N 5.241 125.697 120.500 -0.073 0.000 2.521 350 R HA 0.321 4.661 4.340 -0.000 0.000 0.295 350 R C -1.212 175.029 176.300 -0.099 0.000 1.183 350 R CA -0.576 55.457 56.100 -0.111 0.000 0.957 350 R CB 1.408 31.679 30.300 -0.047 0.000 1.171 350 R HN 0.476 nan 8.270 nan 0.000 0.494 351 L N 3.121 124.238 121.223 -0.177 0.000 2.341 351 L HA 0.541 4.881 4.340 -0.000 0.000 0.278 351 L C -1.221 175.560 176.870 -0.148 0.000 1.005 351 L CA -0.789 54.006 54.840 -0.076 0.000 0.818 351 L CB 1.505 43.539 42.059 -0.041 0.000 1.259 351 L HN 0.544 nan 8.230 nan 0.000 0.418 352 W N 5.462 126.815 121.300 0.089 0.000 2.520 352 W HA 0.507 5.167 4.660 -0.000 0.000 0.323 352 W C -0.500 176.088 176.519 0.115 0.000 1.062 352 W CA -0.357 57.037 57.345 0.082 0.000 1.215 352 W CB 1.445 31.056 29.460 0.251 0.000 1.340 352 W HN 0.178 nan 8.180 nan 0.000 0.516 353 L N 4.493 125.845 121.223 0.216 0.000 2.318 353 L HA 0.486 4.826 4.340 -0.000 0.000 0.277 353 L C -1.570 175.351 176.870 0.084 0.000 1.008 353 L CA -0.772 54.185 54.840 0.194 0.000 0.846 353 L CB 0.420 42.546 42.059 0.111 0.000 1.220 353 L HN 0.359 nan 8.230 nan 0.000 0.423 354 F N 5.902 125.967 119.950 0.191 0.000 2.334 354 F HA 0.395 4.922 4.527 -0.000 0.000 0.367 354 F C 0.446 176.338 175.800 0.154 0.000 1.115 354 F CA -0.416 57.681 58.000 0.162 0.000 1.116 354 F CB 0.998 40.055 39.000 0.095 0.000 1.230 354 F HN 0.282 nan 8.300 nan 0.000 0.484 355 I N 4.288 125.019 120.570 0.268 0.000 2.377 355 I HA 0.090 4.260 4.170 -0.000 0.000 0.282 355 I C 0.896 177.145 176.117 0.219 0.000 1.091 355 I CA -0.510 60.930 61.300 0.235 0.000 1.207 355 I CB 0.426 38.541 38.000 0.191 0.000 1.429 355 I HN 0.569 nan 8.210 nan 0.000 0.491 356 D N 3.907 124.455 120.400 0.247 0.000 2.192 356 D HA -0.294 4.345 4.640 -0.000 0.000 0.189 356 D C 0.541 176.933 176.300 0.153 0.000 1.007 356 D CA 1.832 55.952 54.000 0.201 0.000 0.859 356 D CB 0.238 41.152 40.800 0.190 0.000 0.936 356 D HN 0.429 nan 8.370 nan 0.000 0.447 357 E N -1.064 119.234 120.200 0.163 0.000 2.731 357 E HA 0.256 4.606 4.350 -0.000 0.000 0.248 357 E C 0.485 177.160 176.600 0.124 0.000 1.084 357 E CA -0.431 56.044 56.400 0.124 0.000 0.776 357 E CB 0.776 30.551 29.700 0.126 0.000 1.404 357 E HN 0.074 nan 8.360 nan 0.000 0.395 358 L N 3.045 124.329 121.223 0.101 0.000 2.064 358 L HA -0.225 4.115 4.340 -0.000 0.000 0.216 358 L C 1.754 178.718 176.870 0.157 0.000 1.077 358 L CA 2.771 57.682 54.840 0.119 0.000 0.766 358 L CB -0.269 41.826 42.059 0.060 0.000 0.890 358 L HN 0.572 nan 8.230 nan 0.000 0.435 359 A N -2.293 120.602 122.820 0.124 0.000 2.119 359 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 359 A C 2.288 179.936 177.584 0.107 0.000 1.153 359 A CA 1.426 53.545 52.037 0.136 0.000 0.692 359 A CB -0.565 18.492 19.000 0.095 0.000 0.799 359 A HN 0.516 nan 8.150 nan 0.000 0.458 360 S N -0.476 115.286 115.700 0.103 0.000 2.522 360 S HA 0.211 4.681 4.470 -0.000 0.000 0.227 360 S C 0.840 175.471 174.600 0.052 0.000 0.986 360 S CA 0.063 58.313 58.200 0.084 0.000 0.929 360 S CB -0.265 63.007 63.200 0.120 0.000 0.769 360 S HN 0.480 nan 8.310 nan 0.000 0.529 361 L N 1.001 122.264 121.223 0.066 0.000 2.642 361 L HA 0.324 4.664 4.340 -0.000 0.000 0.229 361 L C 0.999 177.863 176.870 -0.009 0.000 1.179 361 L CA -0.698 54.158 54.840 0.026 0.000 0.834 361 L CB 0.250 42.350 42.059 0.068 0.000 1.515 361 L HN 0.120 nan 8.230 nan 0.000 0.512 362 E N 0.165 120.341 120.200 -0.040 0.000 2.385 362 E HA 0.092 4.442 4.350 -0.000 0.000 0.254 362 E C -0.595 175.879 176.600 -0.211 0.000 1.228 362 E CA -0.587 55.749 56.400 -0.106 0.000 0.956 362 E CB 0.581 30.235 29.700 -0.077 0.000 1.116 362 E HN 0.247 nan 8.360 nan 0.000 0.507 363 K N 1.954 122.142 120.400 -0.353 0.000 2.167 363 K HA 0.112 4.432 4.320 -0.000 0.000 0.275 363 K C -0.210 176.278 176.600 -0.186 0.000 1.103 363 K CA -0.114 55.776 56.287 -0.662 0.000 0.963 363 K CB -0.505 31.675 32.500 -0.534 0.000 1.243 363 K HN 0.300 nan 8.250 nan 0.000 0.407 364 L N 3.061 124.325 121.223 0.069 0.000 2.525 364 L HA -0.054 4.286 4.340 -0.000 0.000 0.278 364 L C 1.415 178.377 176.870 0.153 0.000 1.218 364 L CA -0.163 54.771 54.840 0.156 0.000 0.878 364 L CB 0.722 42.914 42.059 0.223 0.000 1.127 364 L HN 0.714 nan 8.230 nan 0.000 0.492 365 A N 1.946 124.814 122.820 0.080 0.000 2.132 365 A HA 0.014 4.334 4.320 -0.000 0.000 0.213 365 A C 1.868 179.477 177.584 0.042 0.000 1.154 365 A CA 0.884 52.953 52.037 0.053 0.000 0.753 365 A CB 0.016 19.027 19.000 0.019 0.000 0.826 365 A HN 0.777 nan 8.150 nan 0.000 0.469 366 S N -1.071 114.658 115.700 0.048 0.000 2.554 366 S HA 0.183 4.653 4.470 -0.000 0.000 0.227 366 S C 1.542 176.150 174.600 0.013 0.000 1.050 366 S CA -0.049 58.164 58.200 0.022 0.000 0.927 366 S CB -0.209 63.001 63.200 0.016 0.000 0.859 366 S HN 0.445 nan 8.310 nan 0.000 0.494 367 L N 2.161 123.404 121.223 0.034 0.000 2.054 367 L HA -0.338 4.002 4.340 -0.000 0.000 0.220 367 L C 2.572 179.401 176.870 -0.069 0.000 1.081 367 L CA 2.034 56.870 54.840 -0.006 0.000 0.780 367 L CB -0.765 41.312 42.059 0.031 0.000 0.893 367 L HN 0.418 nan 8.230 nan 0.000 0.438 368 A N 0.013 122.805 122.820 -0.047 0.000 1.852 368 A HA -0.323 3.997 4.320 -0.000 0.000 0.217 368 A C 1.846 179.384 177.584 -0.077 0.000 1.215 368 A CA 2.324 54.320 52.037 -0.069 0.000 0.641 368 A CB -1.058 17.923 19.000 -0.032 0.000 0.838 368 A HN 0.611 nan 8.150 nan 0.000 0.450 369 D N -0.063 120.307 120.400 -0.050 0.000 2.182 369 D HA -0.091 4.549 4.640 -0.000 0.000 0.201 369 D C 2.172 178.438 176.300 -0.057 0.000 0.986 369 D CA 1.387 55.360 54.000 -0.046 0.000 0.847 369 D CB -0.344 40.437 40.800 -0.033 0.000 0.942 369 D HN 0.489 nan 8.370 nan 0.000 0.467 370 A N 1.280 124.058 122.820 -0.069 0.000 1.902 370 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 370 A C 2.250 179.750 177.584 -0.140 0.000 1.181 370 A CA 0.829 52.816 52.037 -0.084 0.000 0.623 370 A CB -0.764 18.187 19.000 -0.083 0.000 0.818 370 A HN 0.208 nan 8.150 nan 0.000 0.443 371 L N -0.589 120.495 121.223 -0.231 0.000 2.650 371 L HA 0.007 4.347 4.340 -0.000 0.000 0.235 371 L C 1.564 178.407 176.870 -0.044 0.000 1.149 371 L CA 0.842 55.481 54.840 -0.335 0.000 0.887 371 L CB -0.225 41.518 42.059 -0.528 0.000 1.021 371 L HN 0.353 nan 8.230 nan 0.000 0.441 372 T N -1.987 112.544 114.554 -0.039 0.000 2.980 372 T HA 0.093 4.443 4.350 -0.000 0.000 0.252 372 T C 1.379 176.066 174.700 -0.021 0.000 0.962 372 T CA 0.098 62.184 62.100 -0.023 0.000 0.932 372 T CB 0.600 69.444 68.868 -0.039 0.000 1.188 372 T HN 0.170 nan 8.240 nan 0.000 0.500 373 K N 0.785 121.171 120.400 -0.024 0.000 2.447 373 K HA 0.328 4.648 4.320 -0.000 0.000 0.205 373 K C 1.532 178.117 176.600 -0.024 0.000 1.059 373 K CA -0.053 56.218 56.287 -0.026 0.000 1.065 373 K CB 0.962 33.446 32.500 -0.028 0.000 0.885 373 K HN 0.156 nan 8.250 nan 0.000 0.545 374 G N 1.241 110.032 108.800 -0.016 0.000 3.141 374 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.218 374 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.218 374 G C 1.278 176.154 174.900 -0.040 0.000 1.170 374 G CA -0.176 44.913 45.100 -0.019 0.000 0.769 374 G HN 0.025 nan 8.290 nan 0.000 0.546 375 R N 1.177 121.645 120.500 -0.053 0.000 2.075 375 R HA 0.013 4.353 4.340 -0.000 0.000 0.232 375 R C 2.057 178.310 176.300 -0.079 0.000 1.126 375 R CA 1.034 57.081 56.100 -0.089 0.000 0.963 375 R CB -0.309 29.935 30.300 -0.093 0.000 0.858 375 R HN 0.200 nan 8.270 nan 0.000 0.435 376 K N -0.042 120.323 120.400 -0.059 0.000 2.097 376 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 376 K C 1.861 178.430 176.600 -0.053 0.000 1.049 376 K CA 1.413 57.669 56.287 -0.052 0.000 0.933 376 K CB -0.072 32.405 32.500 -0.039 0.000 0.717 376 K HN 0.218 nan 8.250 nan 0.000 0.442 377 A N 0.034 122.824 122.820 -0.050 0.000 2.119 377 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 377 A C 1.240 178.780 177.584 -0.073 0.000 1.152 377 A CA 1.135 53.142 52.037 -0.049 0.000 0.708 377 A CB -0.099 18.881 19.000 -0.033 0.000 0.805 377 A HN 0.417 nan 8.150 nan 0.000 0.460 378 G N -1.092 107.651 108.800 -0.094 0.000 2.165 378 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.226 378 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.226 378 G C -0.032 174.760 174.900 -0.181 0.000 1.035 378 G CA 0.161 45.177 45.100 -0.140 0.000 0.744 378 G HN 0.602 nan 8.290 nan 0.000 0.501 379 L N -0.024 121.120 121.223 -0.131 0.000 2.349 379 L HA 0.644 4.984 4.340 -0.000 0.000 0.275 379 L C 0.470 177.246 176.870 -0.158 0.000 1.115 379 L CA -0.503 54.267 54.840 -0.117 0.000 0.820 379 L CB 0.498 42.536 42.059 -0.035 0.000 1.135 379 L HN 0.288 nan 8.230 nan 0.000 0.445 380 R N 4.055 124.385 120.500 -0.284 0.000 2.412 380 R HA 0.426 4.766 4.340 -0.000 0.000 0.304 380 R C -1.177 175.072 176.300 -0.084 0.000 1.066 380 R CA -0.587 55.282 56.100 -0.384 0.000 0.923 380 R CB 1.939 31.427 30.300 -1.354 0.000 1.156 380 R HN 0.359 nan 8.270 nan 0.000 0.513 381 V N 3.736 123.755 119.914 0.176 0.000 2.481 381 V HA 0.405 4.525 4.120 -0.000 0.000 0.286 381 V C -0.074 176.139 176.094 0.198 0.000 1.042 381 V CA -0.635 61.691 62.300 0.043 0.000 0.928 381 V CB 1.887 33.551 31.823 -0.264 0.000 0.986 381 V HN 0.387 nan 8.190 nan 0.000 0.462 382 V N 3.944 123.914 119.914 0.093 0.000 2.482 382 V HA 0.831 4.951 4.120 -0.000 0.000 0.295 382 V C 0.110 176.277 176.094 0.123 0.000 1.026 382 V CA -0.372 61.983 62.300 0.092 0.000 0.856 382 V CB 1.413 33.102 31.823 -0.222 0.000 1.001 382 V HN 1.027 nan 8.190 nan 0.000 0.424 383 A N 3.391 126.284 122.820 0.123 0.000 2.386 383 A HA 1.023 5.343 4.320 -0.000 0.000 0.308 383 A C 0.053 177.606 177.584 -0.051 0.000 1.128 383 A CA -0.267 51.785 52.037 0.024 0.000 0.789 383 A CB 2.002 20.959 19.000 -0.072 0.000 1.325 383 A HN 1.104 nan 8.150 nan 0.000 0.437 384 G N -0.456 108.338 108.800 -0.010 0.000 2.482 384 G HA2 0.626 4.586 3.960 -0.000 0.000 0.317 384 G HA3 0.626 4.586 3.960 -0.000 0.000 0.317 384 G C -1.656 173.228 174.900 -0.028 0.000 1.241 384 G CA -0.321 44.773 45.100 -0.009 0.000 0.967 384 G HN 0.555 nan 8.290 nan 0.000 0.482 385 L N -0.343 120.859 121.223 -0.036 0.000 2.469 385 L HA 0.527 4.867 4.340 -0.000 0.000 0.256 385 L C 0.612 177.477 176.870 -0.009 0.000 1.006 385 L CA -0.581 54.242 54.840 -0.028 0.000 0.832 385 L CB 2.065 44.083 42.059 -0.070 0.000 1.421 385 L HN 0.738 nan 8.230 nan 0.000 0.410 386 Q N -0.414 119.388 119.800 0.003 0.000 2.563 386 Q HA 0.379 4.719 4.340 -0.000 0.000 0.186 386 Q C -0.482 175.520 176.000 0.004 0.000 0.805 386 Q CA -0.028 55.781 55.803 0.009 0.000 0.828 386 Q CB 1.029 29.778 28.738 0.019 0.000 1.157 386 Q HN 0.703 nan 8.270 nan 0.000 0.619 387 S N 0.545 116.250 115.700 0.009 0.000 2.541 387 S HA 0.201 4.671 4.470 -0.000 0.000 0.283 387 S C 0.585 175.189 174.600 0.007 0.000 1.196 387 S CA -0.420 57.784 58.200 0.008 0.000 1.062 387 S CB 1.714 64.921 63.200 0.012 0.000 1.009 387 S HN 0.372 nan 8.310 nan 0.000 0.502 388 T N 2.391 116.946 114.554 0.002 0.000 2.759 388 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 388 T C 2.244 176.953 174.700 0.015 0.000 1.042 388 T CA 1.816 63.917 62.100 0.003 0.000 1.140 388 T CB -0.463 68.405 68.868 -0.000 0.000 0.864 388 T HN 0.791 nan 8.240 nan 0.000 0.455 389 S N 1.936 117.645 115.700 0.015 0.000 2.400 389 S HA -0.220 4.250 4.470 -0.000 0.000 0.232 389 S C 1.976 176.594 174.600 0.030 0.000 1.025 389 S CA 0.886 59.098 58.200 0.020 0.000 0.993 389 S CB -0.540 62.669 63.200 0.016 0.000 0.808 389 S HN 0.570 nan 8.310 nan 0.000 0.478 390 Q N 0.781 120.601 119.800 0.032 0.000 1.921 390 Q HA -0.052 4.287 4.340 -0.000 0.000 0.208 390 Q C 2.288 178.330 176.000 0.069 0.000 0.994 390 Q CA 1.595 57.425 55.803 0.044 0.000 0.857 390 Q CB -0.566 28.199 28.738 0.044 0.000 0.925 390 Q HN 0.455 nan 8.270 nan 0.000 0.421 391 L N 1.406 122.679 121.223 0.084 0.000 2.089 391 L HA -0.266 4.074 4.340 -0.000 0.000 0.213 391 L C 1.579 178.545 176.870 0.161 0.000 1.079 391 L CA 1.972 56.901 54.840 0.148 0.000 0.758 391 L CB -0.453 41.657 42.059 0.085 0.000 0.891 391 L HN 0.212 nan 8.230 nan 0.000 0.433 392 D N -0.754 119.700 120.400 0.090 0.000 2.092 392 D HA -0.232 4.408 4.640 -0.000 0.000 0.193 392 D C 1.882 178.223 176.300 0.069 0.000 0.994 392 D CA 1.573 55.617 54.000 0.075 0.000 0.828 392 D CB -0.183 40.642 40.800 0.042 0.000 0.963 392 D HN 0.451 nan 8.370 nan 0.000 0.450 393 D N -0.773 119.657 120.400 0.050 0.000 2.144 393 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 393 D C 1.901 178.208 176.300 0.011 0.000 0.984 393 D CA 0.647 54.663 54.000 0.026 0.000 0.834 393 D CB 0.170 40.982 40.800 0.019 0.000 0.955 393 D HN 0.030 nan 8.370 nan 0.000 0.465 394 V N -0.558 119.371 119.914 0.025 0.000 2.273 394 V HA -0.177 3.943 4.120 -0.000 0.000 0.242 394 V C 1.671 177.670 176.094 -0.158 0.000 1.035 394 V CA 1.388 63.644 62.300 -0.072 0.000 1.013 394 V CB -0.655 31.119 31.823 -0.081 0.000 0.652 394 V HN 0.237 nan 8.190 nan 0.000 0.452 395 Y N 0.562 120.864 120.300 0.004 0.000 2.500 395 Y HA 0.488 5.038 4.550 -0.000 0.000 0.270 395 Y C 1.328 177.225 175.900 -0.005 0.000 1.134 395 Y CA 0.536 58.636 58.100 0.001 0.000 1.293 395 Y CB -0.040 38.427 38.460 0.011 0.000 1.063 395 Y HN 0.391 nan 8.280 nan 0.000 0.534 396 G N -0.593 108.277 108.800 0.117 0.000 2.675 396 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 396 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 396 G C 0.408 175.352 174.900 0.073 0.000 1.215 396 G CA -0.543 44.596 45.100 0.064 0.000 0.777 396 G HN -0.029 nan 8.290 nan 0.000 0.638 397 V N 2.205 122.144 119.914 0.042 0.000 2.231 397 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 397 V C 3.039 179.152 176.094 0.032 0.000 1.054 397 V CA 2.680 65.001 62.300 0.034 0.000 1.015 397 V CB -0.555 31.280 31.823 0.019 0.000 0.638 397 V HN 0.773 nan 8.190 nan 0.000 0.444 398 K N -0.117 120.299 120.400 0.027 0.000 2.032 398 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 398 K C 2.170 178.786 176.600 0.027 0.000 1.048 398 K CA 1.759 58.059 56.287 0.021 0.000 0.927 398 K CB -0.390 32.119 32.500 0.015 0.000 0.712 398 K HN 0.572 nan 8.250 nan 0.000 0.441 399 E N 0.206 120.435 120.200 0.047 0.000 2.106 399 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 399 E C 1.850 178.467 176.600 0.028 0.000 0.984 399 E CA 1.003 57.438 56.400 0.058 0.000 0.806 399 E CB -0.003 29.774 29.700 0.128 0.000 0.750 399 E HN 0.318 nan 8.360 nan 0.000 0.458 400 A N 0.646 123.496 122.820 0.051 0.000 1.930 400 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 400 A C 2.091 179.670 177.584 -0.008 0.000 1.175 400 A CA 1.570 53.611 52.037 0.007 0.000 0.627 400 A CB -0.514 18.520 19.000 0.056 0.000 0.815 400 A HN 0.304 nan 8.150 nan 0.000 0.443 401 Q N -0.579 119.226 119.800 0.008 0.000 2.002 401 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 401 Q C 2.112 178.118 176.000 0.009 0.000 0.988 401 Q CA 2.489 58.297 55.803 0.009 0.000 0.843 401 Q CB -0.411 28.333 28.738 0.010 0.000 0.908 401 Q HN 0.591 nan 8.270 nan 0.000 0.420 402 T N 1.847 116.403 114.554 0.003 0.000 2.635 402 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 402 T C 1.777 176.475 174.700 -0.003 0.000 1.040 402 T CA 1.452 63.551 62.100 -0.001 0.000 1.156 402 T CB -0.475 68.388 68.868 -0.008 0.000 0.863 402 T HN 0.205 nan 8.240 nan 0.000 0.430 403 L N 1.408 122.610 121.223 -0.034 0.000 1.971 403 L HA -0.122 4.217 4.340 -0.000 0.000 0.215 403 L C 2.554 179.495 176.870 0.118 0.000 1.072 403 L CA 1.800 56.615 54.840 -0.041 0.000 0.758 403 L CB -0.583 41.349 42.059 -0.212 0.000 0.889 403 L HN 0.164 nan 8.230 nan 0.000 0.433 404 R N -0.656 119.899 120.500 0.091 0.000 2.083 404 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 404 R C 2.173 178.610 176.300 0.229 0.000 1.137 404 R CA 1.378 57.569 56.100 0.151 0.000 0.951 404 R CB -0.937 29.378 30.300 0.024 0.000 0.851 404 R HN 0.503 nan 8.270 nan 0.000 0.434 405 A N 0.980 123.871 122.820 0.118 0.000 2.084 405 A HA -0.173 4.147 4.320 -0.000 0.000 0.221 405 A C 2.049 179.696 177.584 0.106 0.000 1.161 405 A CA 1.769 53.862 52.037 0.093 0.000 0.653 405 A CB -0.417 18.610 19.000 0.046 0.000 0.802 405 A HN 0.260 nan 8.150 nan 0.000 0.457 406 S N -1.214 114.551 115.700 0.108 0.000 2.561 406 S HA 0.153 4.623 4.470 -0.000 0.000 0.225 406 S C -0.179 174.409 174.600 -0.021 0.000 0.977 406 S CA 0.094 58.298 58.200 0.007 0.000 0.926 406 S CB -0.283 62.853 63.200 -0.108 0.000 0.769 406 S HN 0.448 nan 8.310 nan 0.000 0.533 407 F N 1.998 121.991 119.950 0.070 0.000 2.371 407 F HA 0.409 4.936 4.527 -0.000 0.000 0.363 407 F C 1.367 177.206 175.800 0.066 0.000 1.122 407 F CA -0.931 57.134 58.000 0.108 0.000 1.129 407 F CB 0.775 39.821 39.000 0.076 0.000 1.173 407 F HN -0.180 nan 8.300 nan 0.000 0.489 408 R N 0.633 121.236 120.500 0.172 0.000 2.193 408 R HA 0.093 4.433 4.340 -0.000 0.000 0.213 408 R C 0.068 176.450 176.300 0.136 0.000 1.055 408 R CA 0.328 56.495 56.100 0.112 0.000 0.995 408 R CB -0.056 30.267 30.300 0.039 0.000 0.893 408 R HN 0.386 nan 8.270 nan 0.000 0.459 409 S N 1.043 116.852 115.700 0.182 0.000 2.472 409 S HA 0.478 4.948 4.470 -0.000 0.000 0.303 409 S C -0.807 173.873 174.600 0.134 0.000 1.099 409 S CA -0.694 57.610 58.200 0.173 0.000 1.077 409 S CB 1.975 65.327 63.200 0.254 0.000 1.031 409 S HN 0.041 nan 8.310 nan 0.000 0.487 410 L N 3.744 124.998 121.223 0.051 0.000 2.381 410 L HA 0.807 5.147 4.340 -0.000 0.000 0.268 410 L C -1.421 175.426 176.870 -0.038 0.000 0.997 410 L CA -0.486 54.360 54.840 0.010 0.000 0.818 410 L CB 1.834 43.898 42.059 0.008 0.000 1.310 410 L HN 0.461 nan 8.230 nan 0.000 0.416 411 V N 4.795 124.694 119.914 -0.024 0.000 2.588 411 V HA 0.598 4.718 4.120 -0.000 0.000 0.304 411 V C -0.811 175.291 176.094 0.013 0.000 1.042 411 V CA -0.703 61.586 62.300 -0.019 0.000 0.877 411 V CB 2.081 33.894 31.823 -0.017 0.000 0.996 411 V HN 0.518 nan 8.190 nan 0.000 0.425 412 V N 5.964 125.913 119.914 0.058 0.000 2.378 412 V HA 0.371 4.491 4.120 -0.000 0.000 0.288 412 V C 0.485 176.650 176.094 0.118 0.000 1.016 412 V CA -0.153 62.191 62.300 0.073 0.000 0.840 412 V CB 1.697 33.555 31.823 0.059 0.000 0.994 412 V HN 0.773 nan 8.190 nan 0.000 0.431 413 L N 3.909 125.176 121.223 0.073 0.000 2.607 413 L HA 0.437 4.777 4.340 -0.000 0.000 0.228 413 L C 1.112 178.026 176.870 0.073 0.000 1.123 413 L CA 0.651 55.532 54.840 0.069 0.000 0.890 413 L CB 0.014 42.099 42.059 0.044 0.000 1.103 413 L HN 0.986 nan 8.230 nan 0.000 0.468 414 G N -0.103 108.743 108.800 0.077 0.000 3.137 414 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.686 414 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.686 414 G C -0.069 174.855 174.900 0.040 0.000 0.988 414 G CA -0.369 44.771 45.100 0.067 0.000 0.789 414 G HN 0.383 nan 8.290 nan 0.000 0.544 415 G N 0.027 108.844 108.800 0.029 0.000 3.122 415 G HA2 0.889 4.849 3.960 -0.000 0.000 0.180 415 G HA3 0.889 4.849 3.960 -0.000 0.000 0.180 415 G C 0.330 175.241 174.900 0.018 0.000 1.279 415 G CA 0.664 45.776 45.100 0.020 0.000 0.987 415 G HN 1.777 nan 8.290 nan 0.000 0.589 416 S N -1.536 114.172 115.700 0.014 0.000 2.616 416 S HA 0.295 4.765 4.470 -0.000 0.000 0.277 416 S C 1.500 176.105 174.600 0.009 0.000 1.234 416 S CA -0.478 57.729 58.200 0.012 0.000 1.028 416 S CB 1.163 64.370 63.200 0.011 0.000 0.988 416 S HN 0.480 nan 8.310 nan 0.000 0.522 417 R N 0.655 121.160 120.500 0.009 0.000 2.115 417 R HA -0.050 4.290 4.340 -0.000 0.000 0.230 417 R C 2.054 178.358 176.300 0.006 0.000 1.111 417 R CA 1.679 57.783 56.100 0.007 0.000 0.976 417 R CB -0.864 29.440 30.300 0.007 0.000 0.870 417 R HN 0.874 nan 8.270 nan 0.000 0.445 418 T N -1.521 113.037 114.554 0.006 0.000 3.155 418 T HA -0.105 4.245 4.350 -0.000 0.000 0.264 418 T C 0.558 175.261 174.700 0.005 0.000 1.160 418 T CA 0.870 62.973 62.100 0.006 0.000 1.075 418 T CB -0.001 68.871 68.868 0.007 0.000 0.921 418 T HN -0.054 nan 8.240 nan 0.000 0.533 419 D N 1.747 122.150 120.400 0.005 0.000 2.607 419 D HA 0.279 4.919 4.640 -0.000 0.000 0.318 419 D C -1.546 174.754 176.300 0.001 0.000 1.212 419 D CA -2.482 51.520 54.000 0.004 0.000 0.861 419 D CB 1.286 42.089 40.800 0.005 0.000 1.064 419 D HN 0.087 nan 8.370 nan 0.000 0.500 420 P HA -0.171 nan 4.420 nan 0.000 0.218 420 P C 1.215 178.512 177.300 -0.005 0.000 1.149 420 P CA 0.794 63.892 63.100 -0.002 0.000 0.817 420 P CB 0.699 32.398 31.700 -0.002 0.000 0.785 421 K N -0.416 119.982 120.400 -0.003 0.000 2.026 421 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 421 K C 2.286 178.881 176.600 -0.007 0.000 1.048 421 K CA 2.007 58.292 56.287 -0.004 0.000 0.929 421 K CB -0.782 31.717 32.500 -0.002 0.000 0.713 421 K HN 0.121 nan 8.250 nan 0.000 0.439 422 T N 1.465 116.016 114.554 -0.006 0.000 2.777 422 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 422 T C 1.524 176.215 174.700 -0.015 0.000 1.040 422 T CA 1.102 63.197 62.100 -0.009 0.000 1.141 422 T CB -0.254 68.611 68.868 -0.005 0.000 0.868 422 T HN 0.211 nan 8.240 nan 0.000 0.444 423 N N 1.195 119.887 118.700 -0.013 0.000 2.104 423 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 423 N C 1.978 177.471 175.510 -0.029 0.000 1.024 423 N CA 1.395 54.433 53.050 -0.020 0.000 0.853 423 N CB -0.345 38.134 38.487 -0.013 0.000 1.008 423 N HN 0.494 nan 8.380 nan 0.000 0.424 424 E N 1.565 121.752 120.200 -0.023 0.000 2.051 424 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 424 E C 1.109 177.691 176.600 -0.029 0.000 0.991 424 E CA 1.423 57.808 56.400 -0.025 0.000 0.799 424 E CB -0.220 29.470 29.700 -0.017 0.000 0.748 424 E HN 0.155 nan 8.360 nan 0.000 0.449 425 D N -0.250 120.135 120.400 -0.024 0.000 2.104 425 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 425 D C 1.846 178.125 176.300 -0.035 0.000 0.994 425 D CA 1.350 55.336 54.000 -0.024 0.000 0.830 425 D CB -0.204 40.585 40.800 -0.019 0.000 0.959 425 D HN 0.264 nan 8.370 nan 0.000 0.452 426 M N 0.382 119.957 119.600 -0.042 0.000 2.067 426 M HA -0.115 4.365 4.480 -0.000 0.000 0.260 426 M C 2.400 178.650 176.300 -0.083 0.000 1.069 426 M CA 0.913 56.178 55.300 -0.059 0.000 1.117 426 M CB -1.380 31.183 32.600 -0.060 0.000 1.334 426 M HN -0.032 nan 8.290 nan 0.000 0.407 427 S N 0.747 116.396 115.700 -0.085 0.000 2.368 427 S HA -0.186 4.284 4.470 -0.000 0.000 0.226 427 S C 2.032 176.583 174.600 -0.081 0.000 1.044 427 S CA 1.459 59.600 58.200 -0.098 0.000 1.062 427 S CB -0.413 62.744 63.200 -0.072 0.000 0.931 427 S HN 0.487 nan 8.310 nan 0.000 0.440 428 L N 0.769 121.958 121.223 -0.056 0.000 2.046 428 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 428 L C 2.492 179.338 176.870 -0.040 0.000 1.077 428 L CA 1.757 56.571 54.840 -0.043 0.000 0.747 428 L CB -0.608 41.433 42.059 -0.030 0.000 0.896 428 L HN 0.376 nan 8.230 nan 0.000 0.432 429 S N -0.111 115.565 115.700 -0.041 0.000 2.382 429 S HA -0.159 4.311 4.470 -0.000 0.000 0.228 429 S C 1.742 176.320 174.600 -0.036 0.000 1.027 429 S CA 0.910 59.092 58.200 -0.030 0.000 0.991 429 S CB -0.178 63.005 63.200 -0.029 0.000 0.823 429 S HN 0.218 nan 8.310 nan 0.000 0.469 430 L N 0.823 122.007 121.223 -0.065 0.000 2.093 430 L HA 0.168 4.508 4.340 -0.000 0.000 0.208 430 L C 1.393 178.230 176.870 -0.055 0.000 1.085 430 L CA 1.536 56.330 54.840 -0.077 0.000 0.755 430 L CB -1.480 40.487 42.059 -0.153 0.000 0.904 430 L HN 0.491 nan 8.230 nan 0.000 0.435 431 G N -0.923 107.843 108.800 -0.058 0.000 2.612 431 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.686 431 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.686 431 G C -0.523 174.332 174.900 -0.075 0.000 1.274 431 G CA -0.632 44.441 45.100 -0.045 0.000 0.849 431 G HN 0.145 nan 8.290 nan 0.000 0.595 432 E N -0.460 119.704 120.200 -0.058 0.000 2.281 432 E HA 0.721 5.071 4.350 -0.000 0.000 0.257 432 E C 0.150 176.737 176.600 -0.022 0.000 0.971 432 E CA -0.694 55.651 56.400 -0.091 0.000 0.839 432 E CB 1.664 31.333 29.700 -0.051 0.000 1.238 432 E HN 0.832 nan 8.360 nan 0.000 0.412 433 H N -1.542 117.459 119.070 -0.114 0.000 2.985 433 H HA 0.535 5.090 4.556 -0.000 0.000 0.360 433 H C -1.230 173.931 175.328 -0.278 0.000 1.221 433 H CA -1.028 54.919 56.048 -0.168 0.000 1.121 433 H CB 1.995 31.693 29.762 -0.106 0.000 1.854 433 H HN 0.385 nan 8.280 nan 0.000 0.551 434 E N 2.081 122.087 120.200 -0.324 0.000 2.176 434 E HA 0.471 4.821 4.350 -0.000 0.000 0.267 434 E C -1.575 174.618 176.600 -0.678 0.000 0.893 434 E CA -0.829 55.346 56.400 -0.376 0.000 0.761 434 E CB 2.226 31.754 29.700 -0.287 0.000 1.133 434 E HN 0.402 nan 8.360 nan 0.000 0.409 435 V N 3.319 122.873 119.914 -0.599 0.000 3.102 435 V HA 0.376 4.496 4.120 -0.000 0.000 0.312 435 V C -0.916 174.991 176.094 -0.312 0.000 1.135 435 V CA -0.762 61.138 62.300 -0.668 0.000 1.022 435 V CB 2.329 33.455 31.823 -1.163 0.000 1.056 435 V HN 0.726 nan 8.190 nan 0.000 0.436 436 E N 2.079 122.176 120.200 -0.171 0.000 2.176 436 E HA 0.616 4.966 4.350 -0.000 0.000 0.267 436 E C -0.780 175.858 176.600 0.064 0.000 0.893 436 E CA -0.496 55.880 56.400 -0.040 0.000 0.761 436 E CB 1.427 31.117 29.700 -0.016 0.000 1.133 436 E HN 0.487 nan 8.360 nan 0.000 0.409 437 R N 2.553 123.091 120.500 0.062 0.000 2.817 437 R HA 0.296 4.636 4.340 -0.000 0.000 0.268 437 R C -0.973 175.371 176.300 0.073 0.000 1.027 437 R CA -0.760 55.407 56.100 0.111 0.000 0.928 437 R CB 1.389 31.778 30.300 0.148 0.000 1.228 437 R HN 0.557 nan 8.270 nan 0.000 0.469 455 E N 2.472 122.679 120.200 0.012 0.000 2.222 455 E HA 0.674 5.024 4.350 -0.000 0.000 0.267 455 E C -1.254 175.342 176.600 -0.006 0.000 0.884 455 E CA -1.066 55.337 56.400 0.004 0.000 0.764 455 E CB 2.454 32.162 29.700 0.013 0.000 1.169 455 E HN 0.395 nan 8.360 nan 0.000 0.413 456 R N 2.203 122.688 120.500 -0.025 0.000 2.589 456 R HA 0.637 4.977 4.340 -0.000 0.000 0.293 456 R C -1.528 174.739 176.300 -0.055 0.000 0.963 456 R CA -0.867 55.200 56.100 -0.055 0.000 0.905 456 R CB 1.263 31.517 30.300 -0.077 0.000 1.144 456 R HN 0.411 nan 8.270 nan 0.000 0.459 457 V N 2.389 122.257 119.914 -0.077 0.000 3.040 457 V HA 0.610 4.730 4.120 -0.000 0.000 0.312 457 V C -0.122 175.932 176.094 -0.066 0.000 1.115 457 V CA -1.068 61.203 62.300 -0.048 0.000 0.998 457 V CB 2.349 34.170 31.823 -0.003 0.000 1.042 457 V HN 0.714 nan 8.190 nan 0.000 0.433 458 R N 2.261 122.745 120.500 -0.026 0.000 2.393 458 R HA 0.640 4.979 4.340 -0.000 0.000 0.315 458 R C -1.117 175.197 176.300 0.022 0.000 0.952 458 R CA -0.293 55.799 56.100 -0.014 0.000 0.842 458 R CB 1.630 31.912 30.300 -0.030 0.000 1.163 458 R HN 1.045 nan 8.270 nan 0.000 0.450 459 E N 3.299 123.530 120.200 0.052 0.000 2.412 459 E HA 0.395 4.745 4.350 -0.000 0.000 0.279 459 E C -1.027 175.508 176.600 -0.109 0.000 0.984 459 E CA -1.237 55.169 56.400 0.010 0.000 0.788 459 E CB 1.254 31.004 29.700 0.082 0.000 1.277 459 E HN 0.191 nan 8.360 nan 0.000 0.455 460 R N 1.064 121.517 120.500 -0.079 0.000 2.489 460 R HA 0.097 4.437 4.340 -0.000 0.000 0.287 460 R C 0.951 177.151 176.300 -0.167 0.000 1.053 460 R CA -0.062 55.970 56.100 -0.114 0.000 1.036 460 R CB 0.793 31.058 30.300 -0.058 0.000 0.966 460 R HN 0.521 nan 8.270 nan 0.000 0.432 461 V N 2.723 122.482 119.914 -0.258 0.000 2.343 461 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 461 V C 1.026 177.143 176.094 0.039 0.000 1.051 461 V CA 1.421 63.581 62.300 -0.232 0.000 1.036 461 V CB -0.060 31.648 31.823 -0.191 0.000 0.654 461 V HN 0.397 nan 8.190 nan 0.000 0.451 462 V N 0.616 120.491 119.914 -0.067 0.000 2.487 462 V HA 0.405 4.525 4.120 -0.000 0.000 0.298 462 V C -0.224 175.818 176.094 -0.088 0.000 1.028 462 V CA -0.467 61.771 62.300 -0.105 0.000 0.860 462 V CB 1.720 33.296 31.823 -0.411 0.000 0.991 462 V HN 0.238 nan 8.190 nan 0.000 0.427 463 M N 5.230 124.808 119.600 -0.037 0.000 2.255 463 M HA 0.287 4.767 4.480 -0.000 0.000 0.336 463 M C -1.518 174.755 176.300 -0.045 0.000 1.135 463 M CA -1.429 53.854 55.300 -0.028 0.000 1.145 463 M CB 1.602 34.200 32.600 -0.004 0.000 1.473 463 M HN 0.349 nan 8.290 nan 0.000 0.462 464 P HA -0.144 nan 4.420 nan 0.000 0.215 464 P C 0.837 178.126 177.300 -0.018 0.000 1.153 464 P CA 1.615 64.695 63.100 -0.034 0.000 0.853 464 P CB -0.011 31.675 31.700 -0.024 0.000 0.788 465 A N 0.164 122.979 122.820 -0.008 0.000 1.948 465 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 465 A C 2.119 179.710 177.584 0.012 0.000 1.177 465 A CA 1.792 53.831 52.037 0.002 0.000 0.636 465 A CB -1.243 17.758 19.000 0.002 0.000 0.815 465 A HN 0.214 nan 8.150 nan 0.000 0.449 466 E N -0.336 119.871 120.200 0.012 0.000 2.085 466 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 466 E C 1.936 178.575 176.600 0.065 0.000 0.994 466 E CA 1.340 57.766 56.400 0.044 0.000 0.801 466 E CB -0.349 29.383 29.700 0.053 0.000 0.743 466 E HN 0.738 nan 8.360 nan 0.000 0.453 467 I N 1.125 121.709 120.570 0.023 0.000 2.252 467 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 467 I C 2.576 178.719 176.117 0.045 0.000 1.102 467 I CA 0.895 62.217 61.300 0.037 0.000 1.385 467 I CB -0.346 37.640 38.000 -0.023 0.000 1.064 467 I HN 0.047 nan 8.210 nan 0.000 0.414 468 A N 0.610 123.445 122.820 0.025 0.000 2.015 468 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 468 A C 1.788 179.389 177.584 0.028 0.000 1.163 468 A CA 1.380 53.431 52.037 0.022 0.000 0.646 468 A CB -0.433 18.575 19.000 0.012 0.000 0.806 468 A HN 0.433 nan 8.150 nan 0.000 0.448 469 N N -0.300 118.420 118.700 0.034 0.000 2.270 469 N HA 0.175 4.915 4.740 -0.000 0.000 0.198 469 N C -0.125 175.408 175.510 0.040 0.000 1.117 469 N CA -0.057 53.012 53.050 0.031 0.000 0.845 469 N CB 0.154 38.656 38.487 0.025 0.000 0.980 469 N HN 0.409 nan 8.380 nan 0.000 0.486 470 L N 2.799 124.056 121.223 0.057 0.000 2.514 470 L HA 0.074 4.414 4.340 -0.000 0.000 0.280 470 L C -1.604 175.288 176.870 0.036 0.000 1.223 470 L CA -0.806 54.071 54.840 0.062 0.000 0.864 470 L CB 0.355 42.471 42.059 0.095 0.000 1.118 470 L HN -0.013 nan 8.230 nan 0.000 0.494 471 P HA 0.195 nan 4.420 nan 0.000 0.281 471 P C -1.239 176.069 177.300 0.013 0.000 1.264 471 P CA -0.756 62.352 63.100 0.014 0.000 0.824 471 P CB 0.929 32.633 31.700 0.005 0.000 1.092 472 D N 0.646 121.053 120.400 0.012 0.000 2.363 472 D HA 0.077 4.717 4.640 -0.000 0.000 0.240 472 D C 0.967 177.273 176.300 0.009 0.000 1.236 472 D CA 0.034 54.042 54.000 0.014 0.000 0.927 472 D CB 0.179 40.987 40.800 0.013 0.000 1.150 472 D HN 0.420 nan 8.370 nan 0.000 0.458 473 L N -0.356 120.876 121.223 0.014 0.000 3.678 473 L HA -0.244 4.096 4.340 -0.000 0.000 0.425 473 L C -0.411 176.458 176.870 -0.002 0.000 1.240 473 L CA 0.615 55.462 54.840 0.012 0.000 0.876 473 L CB -1.956 40.111 42.059 0.012 0.000 1.766 473 L HN 0.336 nan 8.230 nan 0.000 0.917 474 T N -0.691 113.859 114.554 -0.007 0.000 3.071 474 T HA 0.799 5.149 4.350 -0.000 0.000 0.311 474 T C -0.239 174.440 174.700 -0.034 0.000 1.042 474 T CA -0.008 62.069 62.100 -0.038 0.000 1.028 474 T CB 2.095 70.937 68.868 -0.044 0.000 1.068 474 T HN 0.422 nan 8.240 nan 0.000 0.451 475 A N 2.314 125.088 122.820 -0.077 0.000 2.587 475 A HA 0.812 5.132 4.320 -0.000 0.000 0.293 475 A C -2.106 175.405 177.584 -0.123 0.000 1.087 475 A CA -0.859 51.159 52.037 -0.031 0.000 0.692 475 A CB 1.142 20.152 19.000 0.017 0.000 1.291 475 A HN 0.717 nan 8.150 nan 0.000 0.407 476 Y N 0.162 120.445 120.300 -0.028 0.000 2.320 476 Y HA 0.495 5.045 4.550 -0.000 0.000 0.334 476 Y C 0.170 176.018 175.900 -0.087 0.000 1.055 476 Y CA -0.230 57.847 58.100 -0.040 0.000 1.143 476 Y CB 1.835 40.280 38.460 -0.025 0.000 1.193 476 Y HN 0.342 nan 8.280 nan 0.000 0.477 477 V N 2.886 122.797 119.914 -0.005 0.000 2.350 477 V HA 0.599 4.719 4.120 -0.000 0.000 0.285 477 V C 0.168 176.130 176.094 -0.221 0.000 1.014 477 V CA -0.736 61.444 62.300 -0.200 0.000 0.831 477 V CB 1.400 33.022 31.823 -0.334 0.000 1.000 477 V HN 0.939 nan 8.190 nan 0.000 0.433 478 G N 4.344 113.016 108.800 -0.214 0.000 3.378 478 G HA2 0.546 4.506 3.960 -0.000 0.000 0.332 478 G HA3 0.546 4.506 3.960 -0.000 0.000 0.332 478 G C -0.580 174.268 174.900 -0.088 0.000 1.490 478 G CA -0.320 44.720 45.100 -0.101 0.000 1.068 478 G HN 0.354 nan 8.290 nan 0.000 0.492 479 F N 1.707 121.692 119.950 0.060 0.000 2.589 479 F HA 0.386 4.913 4.527 -0.000 0.000 0.352 479 F C 1.415 177.241 175.800 0.042 0.000 1.168 479 F CA 0.313 58.345 58.000 0.053 0.000 1.353 479 F CB 0.728 39.755 39.000 0.045 0.000 1.116 479 F HN 0.550 nan 8.300 nan 0.000 0.608 480 A N 1.766 124.744 122.820 0.263 0.000 2.455 480 A HA 0.470 4.790 4.320 -0.000 0.000 0.244 480 A C 0.961 178.611 177.584 0.110 0.000 1.099 480 A CA 0.265 52.386 52.037 0.140 0.000 0.786 480 A CB -0.901 18.157 19.000 0.095 0.000 1.051 480 A HN 1.713 nan 8.150 nan 0.000 0.508 481 G N 0.081 108.922 108.800 0.068 0.000 2.598 481 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.244 481 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.244 481 G C 0.019 174.953 174.900 0.057 0.000 1.302 481 G CA 0.361 45.491 45.100 0.050 0.000 0.903 481 G HN 1.809 nan 8.290 nan 0.000 0.575 482 N N 1.574 120.301 118.700 0.045 0.000 2.807 482 N HA 0.415 5.155 4.740 -0.000 0.000 0.259 482 N C 0.171 175.711 175.510 0.050 0.000 1.149 482 N CA -0.035 53.042 53.050 0.045 0.000 1.042 482 N CB -0.106 38.401 38.487 0.034 0.000 1.367 482 N HN 0.627 nan 8.380 nan 0.000 0.516 483 R N 2.349 122.890 120.500 0.069 0.000 2.698 483 R HA 0.529 4.869 4.340 -0.000 0.000 0.275 483 R C -2.688 173.655 176.300 0.072 0.000 1.001 483 R CA -1.552 54.597 56.100 0.082 0.000 0.896 483 R CB 1.160 31.548 30.300 0.146 0.000 1.218 483 R HN 0.384 nan 8.270 nan 0.000 0.462 484 P HA 0.334 nan 4.420 nan 0.000 0.276 484 P C -0.049 177.293 177.300 0.071 0.000 1.252 484 P CA -0.497 62.626 63.100 0.039 0.000 0.802 484 P CB 0.772 32.475 31.700 0.006 0.000 1.035 485 I N -2.218 118.395 120.570 0.071 0.000 2.924 485 I HA 0.854 5.024 4.170 -0.000 0.000 0.316 485 I C -0.548 175.627 176.117 0.097 0.000 1.014 485 I CA -1.248 60.102 61.300 0.082 0.000 1.106 485 I CB 1.725 39.788 38.000 0.105 0.000 1.311 485 I HN 0.378 nan 8.210 nan 0.000 0.502 486 A N 2.738 125.606 122.820 0.081 0.000 2.572 486 A HA 0.553 4.873 4.320 -0.000 0.000 0.295 486 A C -1.190 176.358 177.584 -0.059 0.000 1.072 486 A CA -0.848 51.214 52.037 0.042 0.000 0.691 486 A CB 1.669 20.686 19.000 0.027 0.000 1.291 486 A HN 0.790 nan 8.150 nan 0.000 0.404 487 K N 1.903 122.200 120.400 -0.172 0.000 2.253 487 K HA 0.615 4.934 4.320 -0.000 0.000 0.277 487 K C -1.318 175.149 176.600 -0.222 0.000 1.053 487 K CA -0.211 55.813 56.287 -0.438 0.000 0.892 487 K CB 0.816 32.967 32.500 -0.581 0.000 1.102 487 K HN 0.477 nan 8.250 nan 0.000 0.469 488 V N 5.651 125.451 119.914 -0.190 0.000 2.864 488 V HA 0.542 4.662 4.120 -0.000 0.000 0.314 488 V C -2.334 173.711 176.094 -0.081 0.000 1.073 488 V CA -1.897 60.345 62.300 -0.096 0.000 0.956 488 V CB 1.875 33.669 31.823 -0.049 0.000 1.023 488 V HN 0.837 nan 8.190 nan 0.000 0.435 489 P HA 0.445 nan 4.420 nan 0.000 0.294 489 P C -1.248 176.049 177.300 -0.005 0.000 1.294 489 P CA -0.446 62.637 63.100 -0.028 0.000 0.827 489 P CB 1.734 33.422 31.700 -0.021 0.000 0.992 490 L N 3.246 124.470 121.223 0.003 0.000 2.275 490 L HA 0.299 4.639 4.340 -0.000 0.000 0.288 490 L C 1.097 177.983 176.870 0.026 0.000 1.046 490 L CA -0.463 54.392 54.840 0.024 0.000 0.805 490 L CB 0.838 42.915 42.059 0.031 0.000 1.193 490 L HN 0.490 nan 8.230 nan 0.000 0.426 491 E N 4.773 124.994 120.200 0.035 0.000 2.204 491 E HA 0.367 4.717 4.350 -0.000 0.000 0.276 491 E C -0.749 175.873 176.600 0.036 0.000 0.974 491 E CA -0.769 55.647 56.400 0.026 0.000 0.815 491 E CB 1.631 31.342 29.700 0.019 0.000 1.119 491 E HN 0.499 nan 8.360 nan 0.000 0.393 492 I N 3.546 124.128 120.570 0.019 0.000 2.278 492 I HA 0.085 4.255 4.170 -0.000 0.000 0.300 492 I C 0.579 176.681 176.117 -0.025 0.000 1.174 492 I CA -0.236 61.077 61.300 0.022 0.000 1.347 492 I CB -0.234 37.772 38.000 0.011 0.000 1.473 492 I HN 0.474 nan 8.210 nan 0.000 0.595 493 K N 5.064 125.443 120.400 -0.036 0.000 2.237 493 K HA 0.185 4.505 4.320 -0.000 0.000 0.270 493 K C -0.180 176.169 176.600 -0.419 0.000 1.015 493 K CA -0.539 55.608 56.287 -0.234 0.000 0.949 493 K CB 0.818 33.149 32.500 -0.283 0.000 0.976 493 K HN 0.394 nan 8.250 nan 0.000 0.472 494 Q N 2.944 122.436 119.800 -0.514 0.000 2.241 494 Q HA 0.310 4.649 4.340 -0.000 0.000 0.254 494 Q C -1.128 174.440 176.000 -0.720 0.000 0.917 494 Q CA -0.186 55.357 55.803 -0.433 0.000 0.919 494 Q CB 1.098 29.701 28.738 -0.225 0.000 1.237 494 Q HN 0.424 nan 8.270 nan 0.000 0.434 495 F N 0.285 120.149 119.950 -0.144 0.000 2.529 495 F HA 0.558 5.085 4.527 -0.000 0.000 0.320 495 F C 0.297 175.989 175.800 -0.180 0.000 1.118 495 F CA -1.106 56.776 58.000 -0.196 0.000 0.915 495 F CB 1.543 40.367 39.000 -0.293 0.000 1.161 495 F HN 0.473 nan 8.300 nan 0.000 0.445 496 A N 2.557 125.379 122.820 0.002 0.000 2.354 496 A HA 0.305 4.625 4.320 -0.000 0.000 0.269 496 A C 0.003 177.552 177.584 -0.059 0.000 1.109 496 A CA -0.697 51.319 52.037 -0.034 0.000 0.800 496 A CB 0.050 19.030 19.000 -0.033 0.000 1.045 496 A HN 0.868 nan 8.150 nan 0.000 0.489 497 N N 1.387 120.044 118.700 -0.072 0.000 2.406 497 N HA 0.103 4.843 4.740 -0.000 0.000 0.269 497 N C 0.421 175.883 175.510 -0.081 0.000 1.210 497 N CA -0.045 52.947 53.050 -0.096 0.000 0.966 497 N CB 0.458 38.894 38.487 -0.085 0.000 1.293 497 N HN 0.668 nan 8.380 nan 0.000 0.491 498 R N 1.685 122.131 120.500 -0.089 0.000 2.721 498 R HA 0.205 4.545 4.340 -0.000 0.000 0.296 498 R C -0.381 175.874 176.300 -0.075 0.000 1.174 498 R CA -0.144 55.920 56.100 -0.061 0.000 1.129 498 R CB 0.195 30.478 30.300 -0.029 0.000 1.316 498 R HN 0.482 nan 8.270 nan 0.000 0.571 499 Q N 0.274 120.018 119.800 -0.094 0.000 2.896 499 Q HA 0.148 4.488 4.340 -0.000 0.000 0.241 499 Q C -2.975 172.962 176.000 -0.105 0.000 0.999 499 Q CA -1.595 54.147 55.803 -0.102 0.000 0.912 499 Q CB 2.203 30.860 28.738 -0.135 0.000 2.012 499 Q HN 0.162 nan 8.270 nan 0.000 0.489 500 P HA 0.080 nan 4.420 nan 0.000 0.276 500 P C -0.319 176.941 177.300 -0.067 0.000 1.230 500 P CA 0.250 63.308 63.100 -0.070 0.000 0.776 500 P CB 1.255 32.915 31.700 -0.067 0.000 0.888 501 A N 3.934 126.732 122.820 -0.038 0.000 1.898 501 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 501 A C 0.692 178.338 177.584 0.103 0.000 1.181 501 A CA 1.310 53.337 52.037 -0.017 0.000 0.620 501 A CB -0.601 18.384 19.000 -0.025 0.000 0.819 501 A HN 0.572 nan 8.150 nan 0.000 0.442 502 F N -1.555 118.351 119.950 -0.074 0.000 2.576 502 F HA 0.613 5.140 4.527 -0.000 0.000 0.313 502 F C -1.148 174.630 175.800 -0.038 0.000 1.078 502 F CA -1.911 56.061 58.000 -0.046 0.000 0.921 502 F CB 2.117 41.098 39.000 -0.031 0.000 1.232 502 F HN -0.154 nan 8.300 nan 0.000 0.459 503 V N 5.258 124.759 119.914 -0.688 0.000 2.623 503 V HA 0.446 4.566 4.120 -0.000 0.000 0.304 503 V C -0.258 175.384 176.094 -0.754 0.000 1.054 503 V CA -0.628 61.340 62.300 -0.554 0.000 0.882 503 V CB 1.383 33.042 31.823 -0.273 0.000 1.002 503 V HN 0.892 nan 8.190 nan 0.000 0.424 504 E N 0.000 119.878 120.200 -0.537 0.000 2.725 504 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 504 E CA 0.000 56.183 56.400 -0.361 0.000 0.976 504 E CB 0.000 29.566 29.700 -0.224 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440