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 4erk_1_A DATA FIRST_RESID 6 DATA SEQUENCE AAGPEMVRGQ VFDVGPRYTN LSYIGEGAYG MVCSAYDNLN KVRVAIKKIS DATA SEQUENCE PFEHQTYCQR TLREIKILLR FRHENIIGIN DIIRAPTIEQ MKDVYIVQDL DATA SEQUENCE METDLYKLLK TQHLSNDHIC YFLYQILRGL KYIHSANVLH RDLKPSNLLL DATA SEQUENCE NTTCDLKICD FGLARVADPD HDHTGFLTEY VATRWYRAPE IMLNSKGYTK DATA SEQUENCE SIDIWSVGCI LAEMLSNRPI FPGKHYLDQL NHILGILGSP SQEDLNCIIN DATA SEQUENCE LKARNYLLSL PHKNKVPWNR LFPNADSKAL DLLDKMLTFN PHKRIEVEQA DATA SEQUENCE LAHPYLEQYY DPSDEPIAEA PFKFDMELDD LPKEKLKELI FEETARFQPG 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.598 177.584 0.024 0.000 1.274 6 A CA 0.000 52.054 52.037 0.028 0.000 0.836 6 A CB 0.000 19.013 19.000 0.022 0.000 0.831 7 A N 0.612 123.444 122.820 0.020 0.000 3.063 7 A HA 0.581 4.902 4.320 0.001 0.000 0.263 7 A C 1.249 178.845 177.584 0.019 0.000 1.736 7 A CA 1.098 53.146 52.037 0.017 0.000 1.408 7 A CB -1.406 17.603 19.000 0.014 0.000 1.108 7 A HN 2.258 nan 8.150 nan 0.000 0.621 8 G N 1.057 109.869 108.800 0.020 0.000 1.937 8 G HA2 0.030 3.990 3.960 0.001 0.000 0.075 8 G HA3 0.030 3.990 3.960 0.001 0.000 0.075 8 G C -2.624 172.290 174.900 0.024 0.000 2.264 8 G CA 0.071 45.183 45.100 0.020 0.000 1.288 8 G HN 0.601 nan 8.290 nan 0.000 0.396 9 P HA 0.694 nan 4.420 nan 0.000 0.282 9 P C -1.151 176.185 177.300 0.059 0.000 1.259 9 P CA -0.185 62.940 63.100 0.041 0.000 0.826 9 P CB 1.609 33.340 31.700 0.052 0.000 1.064 10 E N 1.189 121.439 120.200 0.082 0.000 2.242 10 E HA 0.444 4.795 4.350 0.001 0.000 0.275 10 E C -0.118 176.563 176.600 0.135 0.000 1.002 10 E CA -0.347 56.116 56.400 0.104 0.000 0.841 10 E CB 0.605 30.379 29.700 0.124 0.000 1.109 10 E HN 0.355 nan 8.360 nan 0.000 0.394 11 M N 1.136 120.794 119.600 0.098 0.000 2.294 11 M HA 0.540 5.020 4.480 0.001 0.000 0.335 11 M C -1.004 175.330 176.300 0.056 0.000 1.079 11 M CA -1.138 54.214 55.300 0.087 0.000 0.982 11 M CB 1.296 33.929 32.600 0.055 0.000 1.651 11 M HN 0.109 nan 8.290 nan 0.000 0.437 12 V N 3.614 123.554 119.914 0.043 0.000 2.409 12 V HA 0.413 4.534 4.120 0.001 0.000 0.290 12 V C 0.733 176.780 176.094 -0.077 0.000 1.017 12 V CA -0.645 61.641 62.300 -0.024 0.000 0.841 12 V CB 1.277 33.059 31.823 -0.068 0.000 1.003 12 V HN 0.977 nan 8.190 nan 0.000 0.426 13 R N 2.994 123.431 120.500 -0.105 0.000 3.405 13 R HA -0.194 4.147 4.340 0.001 0.000 0.258 13 R C 0.693 176.935 176.300 -0.097 0.000 1.030 13 R CA 0.929 56.939 56.100 -0.150 0.000 0.691 13 R CB -1.179 28.928 30.300 -0.322 0.000 1.093 13 R HN 1.701 nan 8.270 nan 0.000 0.448 14 G N -0.396 108.380 108.800 -0.040 0.000 2.707 14 G HA2 -0.073 3.888 3.960 0.001 0.000 0.686 14 G HA3 -0.073 3.888 3.960 0.001 0.000 0.686 14 G C -0.653 174.263 174.900 0.027 0.000 1.315 14 G CA 0.400 45.495 45.100 -0.008 0.000 0.832 14 G HN 0.632 nan 8.290 nan 0.000 0.573 15 Q N -2.681 117.149 119.800 0.050 0.000 3.244 15 Q HA 0.076 4.417 4.340 0.001 0.000 0.024 15 Q C 0.459 176.541 176.000 0.136 0.000 1.715 15 Q CA 1.757 57.615 55.803 0.091 0.000 0.237 15 Q CB -0.587 28.212 28.738 0.102 0.000 0.588 15 Q HN 2.439 nan 8.270 nan 0.000 0.322 16 V N 0.957 120.969 119.914 0.163 0.000 2.953 16 V HA 0.854 4.975 4.120 0.001 0.000 0.304 16 V C -0.025 176.280 176.094 0.351 0.000 1.073 16 V CA 0.214 62.635 62.300 0.201 0.000 1.064 16 V CB 1.283 33.198 31.823 0.154 0.000 1.047 16 V HN 0.980 nan 8.190 nan 0.000 0.478 17 F N 4.145 124.177 119.950 0.137 0.000 3.397 17 F HA 0.317 4.846 4.527 0.003 0.000 0.406 17 F C -0.212 175.577 175.800 -0.019 0.000 1.166 17 F CA -0.787 57.317 58.000 0.175 0.000 1.322 17 F CB 0.399 39.501 39.000 0.169 0.000 2.322 17 F HN 0.969 nan 8.300 nan 0.000 0.709 18 D N 1.809 122.035 120.400 -0.290 0.000 2.440 18 D HA 0.464 5.105 4.640 0.001 0.000 0.269 18 D C 0.546 176.502 176.300 -0.572 0.000 1.249 18 D CA 0.314 54.123 54.000 -0.319 0.000 1.055 18 D CB 1.743 42.389 40.800 -0.257 0.000 1.104 18 D HN 0.609 nan 8.370 nan 0.000 0.561 19 V N -6.341 113.394 119.914 -0.299 0.000 4.785 19 V HA 0.388 4.509 4.120 0.001 0.000 0.500 19 V C 0.889 177.001 176.094 0.029 0.000 1.953 19 V CA 0.295 62.516 62.300 -0.131 0.000 2.247 19 V CB -0.978 30.920 31.823 0.125 0.000 1.045 19 V HN 1.166 nan 8.190 nan 0.000 0.421 20 G N 2.394 111.175 108.800 -0.032 0.000 2.542 20 G HA2 -0.098 3.863 3.960 0.001 0.000 0.235 20 G HA3 -0.098 3.863 3.960 0.001 0.000 0.235 20 G C -1.649 173.247 174.900 -0.007 0.000 1.286 20 G CA 0.243 45.335 45.100 -0.013 0.000 0.904 20 G HN 0.658 nan 8.290 nan 0.000 0.577 21 P HA 0.268 nan 4.420 nan 0.000 0.249 21 P C 0.829 178.083 177.300 -0.078 0.000 1.583 21 P CA 0.246 63.326 63.100 -0.034 0.000 0.988 21 P CB 0.485 32.169 31.700 -0.026 0.000 1.530 22 R N -0.736 119.676 120.500 -0.147 0.000 2.302 22 R HA 0.147 4.487 4.340 0.001 0.000 0.187 22 R C -0.182 175.889 176.300 -0.382 0.000 0.904 22 R CA 0.170 56.067 56.100 -0.338 0.000 1.105 22 R CB 0.345 30.279 30.300 -0.610 0.000 1.239 22 R HN 0.002 nan 8.270 nan 0.000 0.620 23 Y N 1.819 122.149 120.300 0.050 0.000 2.367 23 Y HA 0.293 4.843 4.550 0.001 0.000 0.342 23 Y C 0.416 176.376 175.900 0.100 0.000 0.979 23 Y CA -0.428 57.723 58.100 0.085 0.000 1.161 23 Y CB 1.657 40.152 38.460 0.058 0.000 1.155 23 Y HN 0.075 nan 8.280 nan 0.000 0.503 24 T N -1.736 112.977 114.554 0.265 0.000 2.644 24 T HA 0.296 4.647 4.350 0.001 0.000 0.253 24 T C 0.032 174.841 174.700 0.183 0.000 0.910 24 T CA -1.204 60.998 62.100 0.169 0.000 1.066 24 T CB 0.323 69.230 68.868 0.065 0.000 1.484 24 T HN 0.415 nan 8.240 nan 0.000 0.560 25 N N 0.679 119.433 118.700 0.090 0.000 2.701 25 N HA -0.113 4.627 4.740 0.001 0.000 0.250 25 N C -0.542 175.030 175.510 0.104 0.000 1.046 25 N CA 0.120 53.218 53.050 0.080 0.000 0.733 25 N CB -1.439 37.103 38.487 0.091 0.000 0.973 25 N HN 0.496 nan 8.380 nan 0.000 0.541 26 L N -0.234 121.050 121.223 0.101 0.000 2.615 26 L HA 0.010 4.351 4.340 0.001 0.000 0.284 26 L C 0.745 177.636 176.870 0.035 0.000 1.237 26 L CA 1.332 56.217 54.840 0.075 0.000 0.905 26 L CB 0.235 42.338 42.059 0.074 0.000 1.149 26 L HN 0.242 nan 8.230 nan 0.000 0.499 27 S N 3.665 119.371 115.700 0.010 0.000 2.736 27 S HA 0.242 4.713 4.470 0.001 0.000 0.285 27 S C -0.624 173.972 174.600 -0.007 0.000 1.163 27 S CA -0.554 57.657 58.200 0.018 0.000 1.025 27 S CB 0.510 63.728 63.200 0.030 0.000 1.030 27 S HN 0.366 nan 8.310 nan 0.000 0.486 28 Y N 5.114 125.345 120.300 -0.115 0.000 2.904 28 Y HA 0.052 4.603 4.550 0.001 0.000 0.336 28 Y C 0.810 176.654 175.900 -0.094 0.000 1.263 28 Y CA 0.715 58.733 58.100 -0.137 0.000 1.547 28 Y CB 0.334 38.731 38.460 -0.105 0.000 1.272 28 Y HN 0.624 nan 8.280 nan 0.000 0.596 29 I N 3.902 124.048 120.570 -0.707 0.000 4.442 29 I HA 0.296 4.467 4.170 0.001 0.000 0.331 29 I C 0.934 176.683 176.117 -0.613 0.000 1.364 29 I CA 1.020 62.038 61.300 -0.470 0.000 1.207 29 I CB -0.255 37.575 38.000 -0.284 0.000 1.298 29 I HN 0.814 nan 8.210 nan 0.000 0.463 30 G N 1.129 109.154 108.800 -1.292 0.000 2.318 30 G HA2 -0.009 3.952 3.960 0.001 0.000 0.367 30 G HA3 -0.009 3.952 3.960 0.001 0.000 0.367 30 G C -0.522 174.069 174.900 -0.514 0.000 1.260 30 G CA -0.289 44.359 45.100 -0.753 0.000 1.055 30 G HN 0.167 nan 8.290 nan 0.000 0.484 31 E N -3.264 116.842 120.200 -0.156 0.000 3.240 31 E HA 0.588 4.939 4.350 0.001 0.000 0.103 31 E C 0.892 177.446 176.600 -0.077 0.000 1.246 31 E CA 0.375 56.740 56.400 -0.058 0.000 0.790 31 E CB 0.935 30.681 29.700 0.077 0.000 2.027 31 E HN 1.902 nan 8.360 nan 0.000 0.511 32 G N -0.100 108.672 108.800 -0.047 0.000 4.332 32 G HA2 0.349 4.310 3.960 0.001 0.000 0.198 32 G HA3 0.349 4.310 3.960 0.001 0.000 0.198 32 G C -0.836 174.041 174.900 -0.039 0.000 1.460 32 G CA 0.220 45.282 45.100 -0.065 0.000 0.900 32 G HN 1.085 nan 8.290 nan 0.000 0.325 33 A N -1.276 121.524 122.820 -0.034 0.000 2.590 33 A HA 0.623 4.944 4.320 0.001 0.000 0.309 33 A C 0.140 177.779 177.584 0.092 0.000 1.039 33 A CA 0.158 52.230 52.037 0.058 0.000 0.824 33 A CB -0.614 18.432 19.000 0.077 0.000 1.247 33 A HN 2.289 nan 8.150 nan 0.000 0.394 34 Y N -0.083 120.166 120.300 -0.085 0.000 2.968 34 Y HA 0.021 4.572 4.550 0.001 0.000 0.215 34 Y C 0.220 176.066 175.900 -0.090 0.000 1.150 34 Y CA 1.032 59.092 58.100 -0.067 0.000 1.044 34 Y CB -1.380 37.043 38.460 -0.061 0.000 1.216 34 Y HN 2.341 nan 8.280 nan 0.000 0.537 35 G N 0.961 109.615 108.800 -0.243 0.000 2.658 35 G HA2 0.457 4.418 3.960 0.001 0.000 0.301 35 G HA3 0.457 4.418 3.960 0.001 0.000 0.301 35 G C -1.597 173.244 174.900 -0.098 0.000 1.481 35 G CA -0.704 44.230 45.100 -0.277 0.000 0.931 35 G HN 0.448 nan 8.290 nan 0.000 0.573 36 M N 2.391 121.999 119.600 0.014 0.000 2.311 36 M HA 0.564 5.044 4.480 0.001 0.000 0.325 36 M C -0.683 175.675 176.300 0.097 0.000 1.061 36 M CA -0.828 54.527 55.300 0.093 0.000 0.957 36 M CB 2.003 34.729 32.600 0.211 0.000 1.646 36 M HN 0.286 nan 8.290 nan 0.000 0.434 37 V N 3.253 123.100 119.914 -0.111 0.000 2.532 37 V HA 0.550 4.671 4.120 0.001 0.000 0.295 37 V C -0.592 175.308 176.094 -0.323 0.000 1.041 37 V CA -0.497 61.715 62.300 -0.148 0.000 0.926 37 V CB 1.738 33.445 31.823 -0.193 0.000 0.992 37 V HN 0.971 nan 8.190 nan 0.000 0.457 38 C N 2.544 121.721 119.300 -0.204 0.000 2.891 38 C HA 0.575 5.036 4.460 0.001 0.000 0.342 38 C C 0.302 175.247 174.990 -0.075 0.000 1.126 38 C CA -0.835 58.032 59.018 -0.251 0.000 1.322 38 C CB 1.998 29.416 27.740 -0.536 0.000 1.763 38 C HN 1.021 nan 8.230 nan 0.000 0.491 39 S N 1.884 117.548 115.700 -0.059 0.000 2.632 39 S HA 0.893 5.364 4.470 0.001 0.000 0.267 39 S C 0.210 174.844 174.600 0.057 0.000 1.276 39 S CA 0.232 58.432 58.200 0.000 0.000 0.998 39 S CB 1.760 64.962 63.200 0.003 0.000 0.953 39 S HN 1.336 nan 8.310 nan 0.000 0.547 40 A N 0.317 123.203 122.820 0.110 0.000 2.196 40 A HA 0.704 5.025 4.320 0.001 0.000 0.174 40 A C -1.537 176.234 177.584 0.312 0.000 1.272 40 A CA -0.473 51.683 52.037 0.199 0.000 2.185 40 A CB 0.043 19.185 19.000 0.237 0.000 2.596 40 A HN 1.117 nan 8.150 nan 0.000 1.043 41 Y N 0.794 121.207 120.300 0.189 0.000 2.208 41 Y HA 0.243 4.794 4.550 0.001 0.000 0.315 41 Y C -1.445 174.554 175.900 0.164 0.000 1.226 41 Y CA -0.922 57.266 58.100 0.147 0.000 1.377 41 Y CB 1.100 39.610 38.460 0.083 0.000 1.290 41 Y HN 0.588 nan 8.280 nan 0.000 0.386 42 D N 4.357 124.783 120.400 0.043 0.000 2.541 42 D HA 0.030 4.670 4.640 0.001 0.000 0.231 42 D C 0.779 177.047 176.300 -0.053 0.000 1.163 42 D CA 0.736 54.737 54.000 0.002 0.000 1.077 42 D CB 0.001 40.839 40.800 0.063 0.000 1.110 42 D HN 0.856 nan 8.370 nan 0.000 0.499 43 N N 1.299 120.030 118.700 0.053 0.000 2.242 43 N HA -0.247 4.494 4.740 0.001 0.000 0.191 43 N C 1.550 177.083 175.510 0.038 0.000 1.005 43 N CA 0.536 53.670 53.050 0.140 0.000 0.877 43 N CB 0.133 38.657 38.487 0.061 0.000 0.983 43 N HN 0.329 nan 8.380 nan 0.000 0.439 44 L N 0.824 122.021 121.223 -0.044 0.000 2.068 44 L HA -0.009 4.332 4.340 0.001 0.000 0.204 44 L C 1.201 178.063 176.870 -0.014 0.000 1.076 44 L CA 1.746 56.568 54.840 -0.031 0.000 0.753 44 L CB -0.328 41.701 42.059 -0.051 0.000 0.910 44 L HN 0.131 nan 8.230 nan 0.000 0.439 45 N N -0.346 118.336 118.700 -0.030 0.000 2.353 45 N HA -0.039 4.701 4.740 0.001 0.000 0.185 45 N C -0.346 175.120 175.510 -0.073 0.000 1.098 45 N CA 0.046 53.076 53.050 -0.034 0.000 0.872 45 N CB 0.334 38.808 38.487 -0.022 0.000 0.970 45 N HN 0.123 nan 8.380 nan 0.000 0.467 46 K N -0.197 120.139 120.400 -0.106 0.000 3.088 46 K HA -0.138 4.183 4.320 0.001 0.000 0.273 46 K C -0.291 176.024 176.600 -0.475 0.000 1.111 46 K CA 0.547 56.723 56.287 -0.186 0.000 0.803 46 K CB -2.843 29.676 32.500 0.032 0.000 1.226 46 K HN 0.267 nan 8.250 nan 0.000 0.485 47 V N -2.981 116.650 119.914 -0.472 0.000 2.919 47 V HA 0.566 4.687 4.120 0.001 0.000 0.316 47 V C 0.500 176.342 176.094 -0.420 0.000 1.077 47 V CA -1.272 60.809 62.300 -0.366 0.000 0.977 47 V CB 2.328 34.063 31.823 -0.147 0.000 1.039 47 V HN 0.151 nan 8.190 nan 0.000 0.441 48 R N 2.067 122.420 120.500 -0.246 0.000 2.308 48 R HA 0.465 4.806 4.340 0.001 0.000 0.325 48 R C 0.029 176.311 176.300 -0.030 0.000 1.161 48 R CA -0.253 55.788 56.100 -0.098 0.000 1.022 48 R CB 0.964 31.265 30.300 0.002 0.000 1.091 48 R HN 0.833 nan 8.270 nan 0.000 0.497 49 V N 0.090 120.007 119.914 0.005 0.000 3.697 49 V HA 0.598 4.719 4.120 0.001 0.000 0.285 49 V C 0.547 176.628 176.094 -0.022 0.000 1.041 49 V CA -0.957 61.341 62.300 -0.003 0.000 1.045 49 V CB 0.822 32.646 31.823 0.001 0.000 1.227 49 V HN 0.639 nan 8.190 nan 0.000 0.448 50 A N 1.313 124.104 122.820 -0.049 0.000 2.343 50 A HA 0.826 5.147 4.320 0.001 0.000 0.316 50 A C -0.651 176.896 177.584 -0.063 0.000 1.104 50 A CA -0.658 51.352 52.037 -0.046 0.000 0.768 50 A CB 0.734 19.707 19.000 -0.045 0.000 1.213 50 A HN 0.715 nan 8.150 nan 0.000 0.456 51 I N 1.858 122.429 120.570 0.003 0.000 2.436 51 I HA 0.365 4.536 4.170 0.001 0.000 0.289 51 I C -0.386 175.847 176.117 0.192 0.000 1.010 51 I CA -0.486 60.853 61.300 0.065 0.000 1.098 51 I CB 1.879 39.968 38.000 0.149 0.000 1.266 51 I HN 0.642 nan 8.210 nan 0.000 0.434 52 K N 4.986 125.424 120.400 0.064 0.000 2.235 52 K HA 0.331 4.651 4.320 0.001 0.000 0.266 52 K C -0.356 176.210 176.600 -0.057 0.000 0.980 52 K CA -0.715 55.583 56.287 0.018 0.000 0.849 52 K CB 2.299 34.740 32.500 -0.098 0.000 1.098 52 K HN 0.431 nan 8.250 nan 0.000 0.445 53 K N 5.142 125.535 120.400 -0.011 0.000 2.285 53 K HA 0.261 4.582 4.320 0.001 0.000 0.286 53 K C -0.737 175.634 176.600 -0.381 0.000 1.072 53 K CA -0.232 55.837 56.287 -0.364 0.000 0.913 53 K CB 0.412 32.867 32.500 -0.075 0.000 1.067 53 K HN 0.501 nan 8.250 nan 0.000 0.479 54 I N 3.357 123.640 120.570 -0.479 0.000 2.441 54 I HA 0.225 4.396 4.170 0.001 0.000 0.295 54 I C -0.649 175.277 176.117 -0.317 0.000 0.994 54 I CA -0.878 60.177 61.300 -0.409 0.000 1.144 54 I CB 2.084 39.868 38.000 -0.361 0.000 1.314 54 I HN 0.626 nan 8.210 nan 0.000 0.445 55 S N 6.381 121.955 115.700 -0.211 0.000 2.381 55 S HA 0.308 4.779 4.470 0.001 0.000 0.193 55 S C -2.231 172.372 174.600 0.005 0.000 1.287 55 S CA -0.702 57.433 58.200 -0.108 0.000 1.199 55 S CB 1.282 64.493 63.200 0.018 0.000 1.214 55 S HN 0.542 nan 8.310 nan 0.000 0.444 56 P HA 0.290 nan 4.420 nan 0.000 0.277 56 P C 0.753 177.955 177.300 -0.164 0.000 1.260 56 P CA -0.165 62.903 63.100 -0.053 0.000 0.878 56 P CB -0.179 31.501 31.700 -0.033 0.000 1.319 57 F N 1.089 121.103 119.950 0.107 0.000 2.411 57 F HA -0.105 4.424 4.527 0.004 0.000 0.299 57 F C 2.172 177.988 175.800 0.026 0.000 1.077 57 F CA 1.047 59.079 58.000 0.053 0.000 1.439 57 F CB -1.224 37.799 39.000 0.038 0.000 1.085 57 F HN -0.006 nan 8.300 nan 0.000 0.564 58 E N -1.350 118.926 120.200 0.127 0.000 2.051 58 E HA -0.046 4.305 4.350 0.001 0.000 0.189 58 E C 0.531 177.129 176.600 -0.003 0.000 0.979 58 E CA 0.648 57.076 56.400 0.046 0.000 0.803 58 E CB -0.068 29.630 29.700 -0.003 0.000 0.761 58 E HN 0.383 nan 8.360 nan 0.000 0.451 59 H N 0.722 119.631 119.070 -0.268 0.000 2.552 59 H HA 0.063 4.620 4.556 0.001 0.000 0.311 59 H C 0.887 176.049 175.328 -0.277 0.000 1.071 59 H CA -0.586 55.180 56.048 -0.469 0.000 1.307 59 H CB 1.045 30.044 29.762 -1.272 0.000 1.416 59 H HN 0.119 nan 8.280 nan 0.000 0.464 60 Q N 2.717 122.410 119.800 -0.179 0.000 2.096 60 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 60 Q C 1.547 177.467 176.000 -0.134 0.000 0.982 60 Q CA 2.388 58.116 55.803 -0.125 0.000 0.850 60 Q CB 0.018 28.683 28.738 -0.121 0.000 0.901 60 Q HN 0.844 nan 8.270 nan 0.000 0.422 61 T N -1.357 113.054 114.554 -0.239 0.000 2.777 61 T HA -0.132 4.219 4.350 0.001 0.000 0.266 61 T C 1.793 176.510 174.700 0.028 0.000 1.040 61 T CA 1.165 63.188 62.100 -0.128 0.000 1.141 61 T CB -0.769 67.997 68.868 -0.171 0.000 0.868 61 T HN 0.194 nan 8.240 nan 0.000 0.444 62 Y N 1.148 121.315 120.300 -0.222 0.000 2.298 62 Y HA -0.078 4.473 4.550 0.001 0.000 0.287 62 Y C 3.020 178.846 175.900 -0.123 0.000 1.164 62 Y CA -0.766 57.195 58.100 -0.231 0.000 1.229 62 Y CB -1.526 36.721 38.460 -0.355 0.000 0.977 62 Y HN 0.370 nan 8.280 nan 0.000 0.538 63 C N -0.180 119.146 119.300 0.043 0.000 2.457 63 C HA -0.164 4.297 4.460 0.001 0.000 0.278 63 C C 2.597 177.569 174.990 -0.030 0.000 1.309 63 C CA 1.057 60.067 59.018 -0.013 0.000 1.735 63 C CB -1.036 26.715 27.740 0.018 0.000 1.992 63 C HN 0.631 nan 8.230 nan 0.000 0.493 64 Q N 0.294 120.066 119.800 -0.047 0.000 2.123 64 Q HA -0.081 4.259 4.340 0.001 0.000 0.199 64 Q C 2.057 177.978 176.000 -0.132 0.000 0.966 64 Q CA 0.970 56.716 55.803 -0.095 0.000 0.845 64 Q CB -0.307 28.373 28.738 -0.096 0.000 0.907 64 Q HN 0.368 nan 8.270 nan 0.000 0.439 65 R N 0.871 121.316 120.500 -0.092 0.000 2.075 65 R HA -0.008 4.333 4.340 0.001 0.000 0.232 65 R C 2.241 178.482 176.300 -0.098 0.000 1.126 65 R CA 1.769 57.808 56.100 -0.100 0.000 0.963 65 R CB -1.061 29.199 30.300 -0.068 0.000 0.858 65 R HN 0.317 nan 8.270 nan 0.000 0.435 66 T N 1.351 115.867 114.554 -0.063 0.000 2.746 66 T HA -0.056 4.295 4.350 0.001 0.000 0.267 66 T C 1.741 176.387 174.700 -0.090 0.000 1.039 66 T CA 0.907 62.963 62.100 -0.072 0.000 1.142 66 T CB -0.172 68.651 68.868 -0.075 0.000 0.866 66 T HN 0.102 nan 8.240 nan 0.000 0.444 67 L N 1.678 122.840 121.223 -0.101 0.000 1.961 67 L HA -0.124 4.217 4.340 0.001 0.000 0.210 67 L C 2.944 179.697 176.870 -0.196 0.000 1.072 67 L CA 1.648 56.422 54.840 -0.110 0.000 0.749 67 L CB -0.345 41.650 42.059 -0.108 0.000 0.889 67 L HN 0.296 nan 8.230 nan 0.000 0.432 68 R N -0.111 120.170 120.500 -0.365 0.000 2.200 68 R HA -0.248 4.093 4.340 0.001 0.000 0.234 68 R C 1.801 177.932 176.300 -0.282 0.000 1.127 68 R CA 1.700 57.463 56.100 -0.562 0.000 0.989 68 R CB -0.595 29.159 30.300 -0.910 0.000 0.869 68 R HN 0.505 nan 8.270 nan 0.000 0.459 69 E N 1.803 121.890 120.200 -0.187 0.000 2.072 69 E HA -0.086 4.265 4.350 0.001 0.000 0.190 69 E C 1.996 178.514 176.600 -0.136 0.000 0.982 69 E CA 0.936 57.262 56.400 -0.123 0.000 0.803 69 E CB -0.075 29.578 29.700 -0.078 0.000 0.755 69 E HN 0.390 nan 8.360 nan 0.000 0.453 70 I N 0.535 121.044 120.570 -0.102 0.000 2.202 70 I HA -0.246 3.924 4.170 0.001 0.000 0.242 70 I C 2.354 178.457 176.117 -0.024 0.000 1.091 70 I CA 1.211 62.477 61.300 -0.056 0.000 1.368 70 I CB -0.235 37.751 38.000 -0.023 0.000 1.058 70 I HN 0.111 nan 8.210 nan 0.000 0.410 71 K N 0.947 121.342 120.400 -0.007 0.000 1.991 71 K HA -0.187 4.133 4.320 0.001 0.000 0.212 71 K C 2.055 178.707 176.600 0.088 0.000 1.049 71 K CA 1.648 58.010 56.287 0.125 0.000 0.932 71 K CB -0.313 32.330 32.500 0.239 0.000 0.717 71 K HN 0.205 nan 8.250 nan 0.000 0.441 72 I N 1.315 121.726 120.570 -0.266 0.000 2.118 72 I HA -0.333 3.837 4.170 0.001 0.000 0.241 72 I C 2.340 178.034 176.117 -0.704 0.000 1.070 72 I CA 1.406 62.218 61.300 -0.814 0.000 1.327 72 I CB -0.332 37.059 38.000 -1.014 0.000 1.034 72 I HN 0.161 nan 8.210 nan 0.000 0.405 73 L N -0.408 120.526 121.223 -0.481 0.000 2.042 73 L HA -0.244 4.097 4.340 0.001 0.000 0.210 73 L C 2.528 179.381 176.870 -0.028 0.000 1.076 73 L CA 1.028 55.703 54.840 -0.275 0.000 0.749 73 L CB -0.491 41.461 42.059 -0.179 0.000 0.893 73 L HN 0.286 nan 8.230 nan 0.000 0.432 74 L N -0.308 120.934 121.223 0.032 0.000 2.093 74 L HA -0.155 4.186 4.340 0.001 0.000 0.208 74 L C 2.585 179.559 176.870 0.174 0.000 1.085 74 L CA 1.612 56.532 54.840 0.134 0.000 0.755 74 L CB -0.769 41.386 42.059 0.160 0.000 0.904 74 L HN 0.157 nan 8.230 nan 0.000 0.435 75 R N -1.956 118.676 120.500 0.221 0.000 2.240 75 R HA 0.001 4.342 4.340 0.001 0.000 0.203 75 R C 0.174 176.775 176.300 0.500 0.000 1.011 75 R CA 0.025 56.302 56.100 0.295 0.000 1.007 75 R CB 0.165 30.641 30.300 0.294 0.000 0.911 75 R HN -0.034 nan 8.270 nan 0.000 0.468 76 F N 0.403 120.489 119.950 0.226 0.000 2.378 76 F HA 0.450 4.978 4.527 0.002 0.000 0.325 76 F C 0.179 176.071 175.800 0.153 0.000 1.097 76 F CA -0.995 57.170 58.000 0.274 0.000 1.079 76 F CB 1.262 40.371 39.000 0.182 0.000 1.240 76 F HN -0.135 nan 8.300 nan 0.000 0.519 77 R N 1.805 122.450 120.500 0.242 0.000 3.009 77 R HA 0.294 4.635 4.340 0.001 0.000 0.278 77 R C -2.180 173.977 176.300 -0.237 0.000 1.515 77 R CA -0.426 55.699 56.100 0.041 0.000 1.055 77 R CB 0.525 30.878 30.300 0.088 0.000 1.345 77 R HN 0.909 nan 8.270 nan 0.000 0.421 78 H N 0.690 119.539 119.070 -0.368 0.000 2.974 78 H HA 0.213 4.769 4.556 0.001 0.000 0.366 78 H C 0.002 175.200 175.328 -0.216 0.000 1.155 78 H CA -0.542 55.223 56.048 -0.473 0.000 1.186 78 H CB 1.967 31.202 29.762 -0.879 0.000 1.799 78 H HN 0.539 nan 8.280 nan 0.000 0.541 79 E N 1.854 121.872 120.200 -0.303 0.000 2.267 79 E HA -0.154 4.197 4.350 0.001 0.000 0.197 79 E C 0.161 176.817 176.600 0.094 0.000 0.998 79 E CA 1.187 57.540 56.400 -0.078 0.000 0.830 79 E CB 0.055 29.674 29.700 -0.135 0.000 0.751 79 E HN 0.537 nan 8.360 nan 0.000 0.491 80 N N 0.061 118.975 118.700 0.356 0.000 2.273 80 N HA 0.225 4.966 4.740 0.001 0.000 0.231 80 N C -0.767 174.785 175.510 0.070 0.000 1.134 80 N CA -0.007 53.132 53.050 0.148 0.000 0.856 80 N CB 0.757 39.282 38.487 0.064 0.000 1.068 80 N HN -0.019 nan 8.380 nan 0.000 0.510 81 I N 0.755 121.390 120.570 0.109 0.000 2.512 81 I HA 0.273 4.444 4.170 0.001 0.000 0.287 81 I C -0.541 175.657 176.117 0.134 0.000 1.069 81 I CA -1.121 60.271 61.300 0.153 0.000 1.056 81 I CB 1.944 40.045 38.000 0.169 0.000 1.229 81 I HN -0.054 nan 8.210 nan 0.000 0.429 82 I N 4.798 125.458 120.570 0.150 0.000 2.948 82 I HA 0.279 4.450 4.170 0.001 0.000 0.290 82 I C 0.803 176.969 176.117 0.082 0.000 1.226 82 I CA 1.030 62.389 61.300 0.098 0.000 1.413 82 I CB 0.664 38.718 38.000 0.090 0.000 1.352 82 I HN 0.656 nan 8.210 nan 0.000 0.597 83 G N 6.442 115.274 108.800 0.054 0.000 2.932 83 G HA2 0.624 4.585 3.960 0.001 0.000 0.283 83 G HA3 0.624 4.585 3.960 0.001 0.000 0.283 83 G C -1.033 173.883 174.900 0.026 0.000 1.336 83 G CA -0.739 44.392 45.100 0.051 0.000 1.056 83 G HN 0.578 nan 8.290 nan 0.000 0.522 84 I N 1.156 121.746 120.570 0.034 0.000 2.371 84 I HA 0.159 4.330 4.170 0.001 0.000 0.282 84 I C 0.654 176.789 176.117 0.029 0.000 1.031 84 I CA -0.322 60.967 61.300 -0.018 0.000 1.180 84 I CB 1.388 39.363 38.000 -0.042 0.000 1.336 84 I HN 0.622 nan 8.210 nan 0.000 0.467 85 N N 3.502 122.203 118.700 0.002 0.000 2.216 85 N HA -0.061 4.680 4.740 0.001 0.000 0.183 85 N C 0.175 175.743 175.510 0.097 0.000 1.017 85 N CA 0.662 53.765 53.050 0.088 0.000 0.861 85 N CB 0.279 38.808 38.487 0.070 0.000 0.986 85 N HN 0.544 nan 8.380 nan 0.000 0.428 86 D N -0.906 119.352 120.400 -0.237 0.000 2.665 86 D HA 0.460 5.101 4.640 0.001 0.000 0.287 86 D C -1.708 174.125 176.300 -0.779 0.000 1.266 86 D CA -0.509 53.135 54.000 -0.594 0.000 0.830 86 D CB 1.977 42.776 40.800 -0.001 0.000 1.356 86 D HN -0.186 nan 8.370 nan 0.000 0.437 87 I N 1.790 121.889 120.570 -0.785 0.000 2.586 87 I HA 0.275 4.446 4.170 0.001 0.000 0.288 87 I C -0.719 175.322 176.117 -0.127 0.000 1.147 87 I CA -0.700 60.354 61.300 -0.410 0.000 1.047 87 I CB 1.916 39.661 38.000 -0.424 0.000 1.244 87 I HN 0.222 nan 8.210 nan 0.000 0.429 88 I N 6.500 127.062 120.570 -0.013 0.000 2.315 88 I HA 0.520 4.690 4.170 0.001 0.000 0.291 88 I C -0.003 176.218 176.117 0.173 0.000 1.006 88 I CA -0.361 60.979 61.300 0.067 0.000 1.265 88 I CB 0.933 38.915 38.000 -0.029 0.000 1.387 88 I HN 0.703 nan 8.210 nan 0.000 0.475 89 R N 4.191 124.770 120.500 0.131 0.000 2.734 89 R HA 0.843 5.184 4.340 0.001 0.000 0.271 89 R C -0.783 175.597 176.300 0.132 0.000 1.021 89 R CA -0.939 55.259 56.100 0.163 0.000 0.893 89 R CB 0.856 31.249 30.300 0.156 0.000 1.244 89 R HN 0.492 nan 8.270 nan 0.000 0.464 90 A N 1.374 124.281 122.820 0.145 0.000 2.475 90 A HA 0.250 4.571 4.320 0.001 0.000 0.239 90 A C -1.480 176.202 177.584 0.164 0.000 1.087 90 A CA -0.801 51.311 52.037 0.126 0.000 0.779 90 A CB -0.413 18.648 19.000 0.101 0.000 1.036 90 A HN 0.775 nan 8.150 nan 0.000 0.506 91 P HA 0.032 nan 4.420 nan 0.000 0.231 91 P C 0.489 177.948 177.300 0.265 0.000 1.168 91 P CA 1.434 64.630 63.100 0.159 0.000 0.779 91 P CB -0.133 31.625 31.700 0.097 0.000 0.844 92 T N -3.679 110.997 114.554 0.202 0.000 2.908 92 T HA 0.409 4.759 4.350 0.001 0.000 0.290 92 T C 0.886 175.521 174.700 -0.108 0.000 1.034 92 T CA -0.880 61.264 62.100 0.074 0.000 1.010 92 T CB 1.574 70.432 68.868 -0.016 0.000 1.068 92 T HN -0.127 nan 8.240 nan 0.000 0.481 93 I N 0.727 120.930 120.570 -0.613 0.000 2.394 93 I HA -0.018 4.153 4.170 0.001 0.000 0.251 93 I C 1.968 177.863 176.117 -0.370 0.000 1.136 93 I CA 1.440 62.292 61.300 -0.747 0.000 1.425 93 I CB -0.026 37.355 38.000 -1.033 0.000 1.079 93 I HN 0.784 nan 8.210 nan 0.000 0.425 94 E N 0.643 120.686 120.200 -0.262 0.000 2.072 94 E HA -0.229 4.122 4.350 0.001 0.000 0.191 94 E C 2.090 178.616 176.600 -0.124 0.000 0.985 94 E CA 1.336 57.634 56.400 -0.170 0.000 0.801 94 E CB -0.182 29.446 29.700 -0.120 0.000 0.750 94 E HN 0.617 nan 8.360 nan 0.000 0.452 95 Q N -0.366 119.381 119.800 -0.089 0.000 2.432 95 Q HA 0.103 4.443 4.340 0.001 0.000 0.205 95 Q C 0.465 176.447 176.000 -0.031 0.000 0.945 95 Q CA -0.006 55.774 55.803 -0.039 0.000 0.924 95 Q CB 0.113 28.850 28.738 -0.001 0.000 1.016 95 Q HN 0.288 nan 8.270 nan 0.000 0.503 96 M N 1.425 120.978 119.600 -0.077 0.000 2.350 96 M HA 0.010 4.491 4.480 0.001 0.000 0.338 96 M C 0.379 176.583 176.300 -0.160 0.000 1.559 96 M CA 0.530 55.784 55.300 -0.078 0.000 1.217 96 M CB 0.391 32.931 32.600 -0.100 0.000 1.808 96 M HN -0.091 nan 8.290 nan 0.000 0.458 97 K N 2.481 122.892 120.400 0.019 0.000 2.262 97 K HA 0.133 4.454 4.320 0.001 0.000 0.200 97 K C -0.268 176.535 176.600 0.338 0.000 1.058 97 K CA 0.613 56.968 56.287 0.114 0.000 0.974 97 K CB 0.586 33.145 32.500 0.100 0.000 0.910 97 K HN 0.707 nan 8.250 nan 0.000 0.484 98 D N -0.045 120.506 120.400 0.253 0.000 2.585 98 D HA 0.316 4.957 4.640 0.001 0.000 0.254 98 D C -0.962 175.410 176.300 0.120 0.000 1.067 98 D CA -0.673 53.419 54.000 0.155 0.000 1.090 98 D CB 2.141 42.854 40.800 -0.146 0.000 1.408 98 D HN -0.071 nan 8.370 nan 0.000 0.554 99 V N -1.881 117.954 119.914 -0.132 0.000 2.733 99 V HA 0.563 4.684 4.120 0.001 0.000 0.306 99 V C -1.946 173.937 176.094 -0.351 0.000 1.084 99 V CA -0.771 61.482 62.300 -0.078 0.000 0.905 99 V CB 1.128 32.989 31.823 0.063 0.000 1.010 99 V HN 0.450 nan 8.190 nan 0.000 0.424 100 Y N 4.600 124.814 120.300 -0.142 0.000 2.341 100 Y HA 0.795 5.345 4.550 0.000 0.000 0.337 100 Y C 0.079 175.844 175.900 -0.224 0.000 1.014 100 Y CA -1.124 56.840 58.100 -0.227 0.000 1.111 100 Y CB 1.893 40.157 38.460 -0.328 0.000 1.194 100 Y HN 0.633 nan 8.280 nan 0.000 0.462 101 I N 3.599 124.109 120.570 -0.099 0.000 2.362 101 I HA 0.372 4.543 4.170 0.001 0.000 0.289 101 I C -0.858 175.157 176.117 -0.170 0.000 0.994 101 I CA -0.777 60.426 61.300 -0.162 0.000 1.158 101 I CB 1.423 39.332 38.000 -0.151 0.000 1.315 101 I HN 0.267 nan 8.210 nan 0.000 0.451 102 V N 6.353 126.129 119.914 -0.230 0.000 2.432 102 V HA 0.428 4.549 4.120 0.001 0.000 0.275 102 V C -0.066 175.945 176.094 -0.138 0.000 1.043 102 V CA -0.451 61.705 62.300 -0.239 0.000 0.925 102 V CB 0.971 32.606 31.823 -0.313 0.000 0.985 102 V HN 0.713 nan 8.190 nan 0.000 0.466 103 Q N 1.637 121.379 119.800 -0.097 0.000 2.389 103 Q HA 0.359 4.700 4.340 0.001 0.000 0.277 103 Q C -1.393 174.590 176.000 -0.029 0.000 1.082 103 Q CA -1.084 54.690 55.803 -0.049 0.000 0.810 103 Q CB 2.427 31.140 28.738 -0.042 0.000 1.374 103 Q HN 0.670 nan 8.270 nan 0.000 0.422 104 D N 1.788 122.184 120.400 -0.006 0.000 2.583 104 D HA -0.030 4.611 4.640 0.001 0.000 0.232 104 D C -0.437 175.858 176.300 -0.009 0.000 1.128 104 D CA 0.359 54.359 54.000 -0.001 0.000 0.859 104 D CB 0.450 41.256 40.800 0.010 0.000 1.169 104 D HN 0.229 nan 8.370 nan 0.000 0.481 105 L N 3.343 124.560 121.223 -0.011 0.000 2.439 105 L HA 0.245 4.585 4.340 0.001 0.000 0.269 105 L C -0.407 176.459 176.870 -0.007 0.000 1.179 105 L CA 0.190 55.022 54.840 -0.014 0.000 0.828 105 L CB 0.502 42.553 42.059 -0.014 0.000 1.106 105 L HN 0.266 nan 8.230 nan 0.000 0.467 106 M N 2.445 122.038 119.600 -0.011 0.000 2.644 106 M HA 0.281 4.762 4.480 0.001 0.000 0.304 106 M C 0.516 176.814 176.300 -0.004 0.000 1.215 106 M CA -0.571 54.727 55.300 -0.004 0.000 0.871 106 M CB 1.584 34.178 32.600 -0.011 0.000 1.740 106 M HN 0.596 nan 8.290 nan 0.000 0.464 107 E N 0.967 121.171 120.200 0.007 0.000 2.072 107 E HA -0.011 4.339 4.350 0.001 0.000 0.190 107 E C 0.660 177.261 176.600 0.002 0.000 0.982 107 E CA 1.158 57.565 56.400 0.010 0.000 0.803 107 E CB 0.500 30.216 29.700 0.028 0.000 0.755 107 E HN 0.767 nan 8.360 nan 0.000 0.453 108 T N -1.873 112.679 114.554 -0.004 0.000 2.647 108 T HA 0.381 4.732 4.350 0.001 0.000 0.302 108 T C -2.061 172.622 174.700 -0.027 0.000 1.389 108 T CA -0.235 61.860 62.100 -0.009 0.000 1.037 108 T CB 0.489 69.357 68.868 0.000 0.000 1.755 108 T HN 0.130 nan 8.240 nan 0.000 0.467 109 D N 0.028 120.413 120.400 -0.026 0.000 2.570 109 D HA 0.365 5.006 4.640 0.001 0.000 0.244 109 D C 1.029 177.290 176.300 -0.065 0.000 1.178 109 D CA -0.861 53.109 54.000 -0.051 0.000 0.881 109 D CB 0.360 41.147 40.800 -0.023 0.000 1.453 109 D HN 0.481 nan 8.370 nan 0.000 0.447 110 L N 0.468 121.614 121.223 -0.128 0.000 2.127 110 L HA -0.180 4.161 4.340 0.001 0.000 0.211 110 L C 1.677 178.515 176.870 -0.053 0.000 1.089 110 L CA 1.495 56.239 54.840 -0.161 0.000 0.757 110 L CB -0.350 41.574 42.059 -0.224 0.000 0.899 110 L HN 0.608 nan 8.230 nan 0.000 0.434 111 Y N 0.882 121.126 120.300 -0.093 0.000 2.089 111 Y HA -0.316 4.235 4.550 0.002 0.000 0.282 111 Y C 2.686 178.576 175.900 -0.016 0.000 1.139 111 Y CA 1.998 60.076 58.100 -0.036 0.000 1.123 111 Y CB -0.211 38.227 38.460 -0.037 0.000 0.980 111 Y HN -0.019 nan 8.280 nan 0.000 0.493 112 K N 0.242 120.652 120.400 0.017 0.000 2.032 112 K HA -0.218 4.103 4.320 0.001 0.000 0.209 112 K C 2.210 178.751 176.600 -0.099 0.000 1.048 112 K CA 1.748 58.000 56.287 -0.057 0.000 0.927 112 K CB -0.549 31.988 32.500 0.063 0.000 0.712 112 K HN 0.474 nan 8.250 nan 0.000 0.441 113 L N 1.148 122.332 121.223 -0.065 0.000 1.989 113 L HA -0.210 4.131 4.340 0.001 0.000 0.211 113 L C 2.052 178.885 176.870 -0.062 0.000 1.071 113 L CA 1.446 56.257 54.840 -0.049 0.000 0.749 113 L CB -0.251 41.781 42.059 -0.044 0.000 0.890 113 L HN 0.197 nan 8.230 nan 0.000 0.431 114 L N -0.249 120.918 121.223 -0.094 0.000 2.261 114 L HA -0.238 4.103 4.340 0.001 0.000 0.216 114 L C 2.507 179.319 176.870 -0.097 0.000 1.114 114 L CA 1.155 55.947 54.840 -0.081 0.000 0.777 114 L CB -0.344 41.665 42.059 -0.083 0.000 0.910 114 L HN 0.353 nan 8.230 nan 0.000 0.440 115 K N -0.779 119.519 120.400 -0.170 0.000 2.211 115 K HA -0.131 4.189 4.320 0.001 0.000 0.203 115 K C 1.652 178.215 176.600 -0.062 0.000 1.050 115 K CA 1.829 58.020 56.287 -0.160 0.000 0.945 115 K CB 0.154 32.517 32.500 -0.228 0.000 0.732 115 K HN 0.471 nan 8.250 nan 0.000 0.451 116 T N -4.007 110.527 114.554 -0.034 0.000 3.051 116 T HA 0.127 4.478 4.350 0.001 0.000 0.254 116 T C 0.036 174.749 174.700 0.023 0.000 0.916 116 T CA -0.660 61.438 62.100 -0.003 0.000 0.894 116 T CB 0.326 69.189 68.868 -0.009 0.000 1.251 116 T HN -0.203 nan 8.240 nan 0.000 0.517 117 Q N 1.787 121.603 119.800 0.026 0.000 2.290 117 Q HA 0.394 4.735 4.340 0.001 0.000 0.259 117 Q C -0.806 175.252 176.000 0.098 0.000 0.941 117 Q CA -0.283 55.547 55.803 0.045 0.000 0.912 117 Q CB 1.196 29.943 28.738 0.016 0.000 1.244 117 Q HN 0.568 nan 8.270 nan 0.000 0.441 118 H N 1.759 120.813 119.070 -0.027 0.000 2.629 118 H HA 0.179 4.736 4.556 0.001 0.000 0.357 118 H C -0.500 174.808 175.328 -0.033 0.000 1.121 118 H CA -0.415 55.624 56.048 -0.015 0.000 1.406 118 H CB 1.027 30.784 29.762 -0.007 0.000 1.456 118 H HN 0.270 nan 8.280 nan 0.000 0.579 119 L N 2.422 123.602 121.223 -0.071 0.000 2.325 119 L HA 0.095 4.435 4.340 0.001 0.000 0.279 119 L C 0.273 177.145 176.870 0.004 0.000 1.054 119 L CA 0.045 54.865 54.840 -0.033 0.000 0.804 119 L CB 1.550 43.639 42.059 0.050 0.000 1.200 119 L HN 0.590 nan 8.230 nan 0.000 0.436 120 S N 2.445 118.178 115.700 0.055 0.000 2.616 120 S HA 0.216 4.687 4.470 0.001 0.000 0.277 120 S C 1.004 175.695 174.600 0.151 0.000 1.234 120 S CA -0.406 57.878 58.200 0.139 0.000 1.028 120 S CB 0.614 63.964 63.200 0.250 0.000 0.988 120 S HN 0.730 nan 8.310 nan 0.000 0.522 121 N N 1.363 120.131 118.700 0.115 0.000 2.094 121 N HA -0.203 4.538 4.740 0.001 0.000 0.191 121 N C 0.586 176.155 175.510 0.098 0.000 1.023 121 N CA 1.927 55.050 53.050 0.121 0.000 0.857 121 N CB -0.352 38.206 38.487 0.117 0.000 1.013 121 N HN 0.714 nan 8.380 nan 0.000 0.426 122 D N -0.359 120.074 120.400 0.055 0.000 2.182 122 D HA -0.152 4.489 4.640 0.001 0.000 0.201 122 D C 1.519 177.746 176.300 -0.121 0.000 0.986 122 D CA 1.251 55.231 54.000 -0.035 0.000 0.847 122 D CB -0.533 40.213 40.800 -0.091 0.000 0.942 122 D HN 0.538 nan 8.370 nan 0.000 0.467 123 H N -0.145 118.861 119.070 -0.108 0.000 2.403 123 H HA 0.149 4.706 4.556 0.001 0.000 0.298 123 H C 2.237 177.371 175.328 -0.323 0.000 1.059 123 H CA 0.531 56.390 56.048 -0.314 0.000 1.363 123 H CB 0.108 29.738 29.762 -0.220 0.000 1.410 123 H HN 0.075 nan 8.280 nan 0.000 0.528 124 I N -0.819 119.803 120.570 0.086 0.000 2.233 124 I HA -0.299 3.872 4.170 0.001 0.000 0.243 124 I C 2.529 178.755 176.117 0.182 0.000 1.093 124 I CA 0.708 62.111 61.300 0.173 0.000 1.380 124 I CB -0.204 37.893 38.000 0.161 0.000 1.067 124 I HN 0.399 nan 8.210 nan 0.000 0.413 125 C N 0.386 119.778 119.300 0.152 0.000 2.413 125 C HA -0.281 4.180 4.460 0.001 0.000 0.277 125 C C 2.908 177.925 174.990 0.044 0.000 1.228 125 C CA 1.100 60.154 59.018 0.060 0.000 1.731 125 C CB -0.953 26.733 27.740 -0.090 0.000 2.042 125 C HN 0.581 nan 8.230 nan 0.000 0.468 126 Y N 0.246 120.412 120.300 -0.224 0.000 2.274 126 Y HA -0.039 4.511 4.550 0.001 0.000 0.290 126 Y C 1.958 177.771 175.900 -0.144 0.000 1.145 126 Y CA 1.560 59.393 58.100 -0.446 0.000 1.203 126 Y CB -0.769 37.404 38.460 -0.479 0.000 0.984 126 Y HN 0.355 nan 8.280 nan 0.000 0.533 127 F N -0.951 118.924 119.950 -0.125 0.000 2.163 127 F HA -0.130 4.397 4.527 0.001 0.000 0.297 127 F C 2.261 177.963 175.800 -0.163 0.000 1.094 127 F CA 0.943 58.829 58.000 -0.190 0.000 1.290 127 F CB -1.368 37.593 39.000 -0.066 0.000 1.017 127 F HN 0.125 nan 8.300 nan 0.000 0.483 128 L N -0.807 120.497 121.223 0.136 0.000 2.017 128 L HA -0.253 4.088 4.340 0.001 0.000 0.208 128 L C 2.410 179.286 176.870 0.010 0.000 1.073 128 L CA 1.673 56.553 54.840 0.066 0.000 0.745 128 L CB -1.177 40.969 42.059 0.146 0.000 0.894 128 L HN 0.205 nan 8.230 nan 0.000 0.432 129 Y N 0.294 120.542 120.300 -0.086 0.000 2.151 129 Y HA -0.344 4.207 4.550 0.001 0.000 0.284 129 Y C 2.523 178.347 175.900 -0.127 0.000 1.166 129 Y CA 2.329 60.365 58.100 -0.106 0.000 1.163 129 Y CB -0.331 37.992 38.460 -0.229 0.000 0.974 129 Y HN 0.393 nan 8.280 nan 0.000 0.511 130 Q N -0.330 119.294 119.800 -0.294 0.000 2.123 130 Q HA -0.118 4.222 4.340 0.001 0.000 0.199 130 Q C 2.351 178.196 176.000 -0.257 0.000 0.966 130 Q CA 1.698 57.307 55.803 -0.322 0.000 0.845 130 Q CB -0.086 28.464 28.738 -0.313 0.000 0.907 130 Q HN 0.566 nan 8.270 nan 0.000 0.439 131 I N 0.513 120.959 120.570 -0.206 0.000 2.179 131 I HA -0.290 3.881 4.170 0.001 0.000 0.242 131 I C 2.094 178.080 176.117 -0.218 0.000 1.088 131 I CA 1.168 62.351 61.300 -0.195 0.000 1.357 131 I CB -0.201 37.701 38.000 -0.164 0.000 1.051 131 I HN 0.200 nan 8.210 nan 0.000 0.409 132 L N 0.097 121.189 121.223 -0.218 0.000 2.156 132 L HA -0.151 4.190 4.340 0.001 0.000 0.208 132 L C 2.739 179.459 176.870 -0.249 0.000 1.095 132 L CA 0.999 55.712 54.840 -0.210 0.000 0.770 132 L CB -0.508 41.460 42.059 -0.153 0.000 0.914 132 L HN 0.196 nan 8.230 nan 0.000 0.439 133 R N 0.236 120.521 120.500 -0.358 0.000 2.075 133 R HA -0.126 4.215 4.340 0.001 0.000 0.232 133 R C 2.248 178.389 176.300 -0.264 0.000 1.126 133 R CA 1.431 57.352 56.100 -0.298 0.000 0.963 133 R CB -0.379 29.678 30.300 -0.405 0.000 0.858 133 R HN 0.371 nan 8.270 nan 0.000 0.435 134 G N 1.019 109.615 108.800 -0.340 0.000 2.404 134 G HA2 -0.244 3.716 3.960 0.001 0.000 0.215 134 G HA3 -0.244 3.716 3.960 0.001 0.000 0.215 134 G C 1.264 175.981 174.900 -0.305 0.000 1.174 134 G CA 0.417 45.207 45.100 -0.516 0.000 0.780 134 G HN 0.271 nan 8.290 nan 0.000 0.537 135 L N 1.062 122.142 121.223 -0.240 0.000 2.079 135 L HA -0.025 4.316 4.340 0.001 0.000 0.210 135 L C 2.648 179.359 176.870 -0.265 0.000 1.081 135 L CA 2.356 57.029 54.840 -0.278 0.000 0.752 135 L CB -0.453 41.390 42.059 -0.360 0.000 0.896 135 L HN 0.308 nan 8.230 nan 0.000 0.433 136 K N -1.973 118.331 120.400 -0.159 0.000 2.147 136 K HA -0.262 4.059 4.320 0.001 0.000 0.205 136 K C 2.259 178.863 176.600 0.005 0.000 1.049 136 K CA 1.659 57.920 56.287 -0.043 0.000 0.936 136 K CB -0.383 32.119 32.500 0.003 0.000 0.722 136 K HN 0.444 nan 8.250 nan 0.000 0.446 137 Y N 1.172 121.362 120.300 -0.183 0.000 2.184 137 Y HA -0.093 4.458 4.550 0.001 0.000 0.290 137 Y C 1.799 177.560 175.900 -0.231 0.000 1.129 137 Y CA 1.435 59.416 58.100 -0.199 0.000 1.144 137 Y CB -0.050 38.221 38.460 -0.316 0.000 0.995 137 Y HN -0.036 nan 8.280 nan 0.000 0.513 138 I N -0.372 120.201 120.570 0.004 0.000 2.179 138 I HA -0.378 3.793 4.170 0.001 0.000 0.242 138 I C 2.200 178.443 176.117 0.210 0.000 1.088 138 I CA 1.897 63.265 61.300 0.114 0.000 1.357 138 I CB -0.565 37.657 38.000 0.371 0.000 1.051 138 I HN 0.348 nan 8.210 nan 0.000 0.409 139 H N -0.441 118.656 119.070 0.046 0.000 2.462 139 H HA -0.098 4.459 4.556 0.001 0.000 0.292 139 H C 2.483 177.805 175.328 -0.009 0.000 1.049 139 H CA 1.057 57.132 56.048 0.045 0.000 1.334 139 H CB 0.173 29.963 29.762 0.046 0.000 1.404 139 H HN 0.376 nan 8.280 nan 0.000 0.544 140 S N 0.585 116.311 115.700 0.043 0.000 2.447 140 S HA -0.029 4.442 4.470 0.001 0.000 0.233 140 S C 1.977 176.519 174.600 -0.097 0.000 1.006 140 S CA 0.600 58.769 58.200 -0.052 0.000 0.957 140 S CB 0.071 63.197 63.200 -0.124 0.000 0.773 140 S HN 0.374 nan 8.310 nan 0.000 0.507 141 A N 1.259 124.019 122.820 -0.101 0.000 2.307 141 A HA 0.360 4.681 4.320 0.001 0.000 0.218 141 A C 0.927 178.579 177.584 0.112 0.000 1.228 141 A CA 0.131 52.165 52.037 -0.005 0.000 0.857 141 A CB -0.980 18.065 19.000 0.075 0.000 0.897 141 A HN 0.708 nan 8.150 nan 0.000 0.495 142 N N -1.156 117.587 118.700 0.071 0.000 2.776 142 N HA -0.144 4.597 4.740 0.001 0.000 0.250 142 N C -0.796 174.761 175.510 0.078 0.000 1.112 142 N CA 0.547 53.625 53.050 0.047 0.000 0.733 142 N CB -0.825 37.673 38.487 0.018 0.000 1.097 142 N HN 0.207 nan 8.380 nan 0.000 0.558 143 V N 1.779 121.797 119.914 0.173 0.000 2.581 143 V HA 0.577 4.698 4.120 0.001 0.000 0.303 143 V C 0.299 176.564 176.094 0.285 0.000 1.041 143 V CA -0.582 61.846 62.300 0.214 0.000 0.907 143 V CB 1.932 33.955 31.823 0.334 0.000 0.994 143 V HN 0.107 nan 8.190 nan 0.000 0.442 144 L N 3.466 124.835 121.223 0.243 0.000 2.333 144 L HA 0.511 4.851 4.340 0.001 0.000 0.280 144 L C 1.246 178.290 176.870 0.290 0.000 1.004 144 L CA -0.615 54.395 54.840 0.283 0.000 0.820 144 L CB 1.287 43.463 42.059 0.195 0.000 1.247 144 L HN 0.697 nan 8.230 nan 0.000 0.416 145 H N 4.456 123.647 119.070 0.202 0.000 2.293 145 H HA -0.060 4.497 4.556 0.002 0.000 0.300 145 H C 0.862 176.182 175.328 -0.013 0.000 1.082 145 H CA 2.041 58.083 56.048 -0.010 0.000 1.308 145 H CB 0.507 30.159 29.762 -0.184 0.000 1.375 145 H HN 0.662 nan 8.280 nan 0.000 0.495 146 R N -0.806 119.844 120.500 0.249 0.000 3.884 146 R HA -0.179 4.162 4.340 0.001 0.000 0.464 146 R C -0.395 176.018 176.300 0.187 0.000 0.963 146 R CA 1.287 57.507 56.100 0.199 0.000 1.408 146 R CB -1.664 28.712 30.300 0.127 0.000 2.054 146 R HN 0.348 nan 8.270 nan 0.000 0.522 147 D N 0.635 121.216 120.400 0.301 0.000 2.945 147 D HA 0.290 4.931 4.640 0.001 0.000 0.369 147 D C -0.617 175.724 176.300 0.068 0.000 1.294 147 D CA -0.157 53.941 54.000 0.163 0.000 0.778 147 D CB 0.248 41.073 40.800 0.042 0.000 1.188 147 D HN 0.086 nan 8.370 nan 0.000 0.479 148 L N 2.082 123.260 121.223 -0.075 0.000 2.313 148 L HA 0.356 4.697 4.340 0.001 0.000 0.282 148 L C 0.424 177.057 176.870 -0.395 0.000 1.092 148 L CA 0.156 54.786 54.840 -0.350 0.000 0.831 148 L CB 0.381 42.254 42.059 -0.310 0.000 1.159 148 L HN 0.107 nan 8.230 nan 0.000 0.442 149 K N 2.334 122.424 120.400 -0.518 0.000 2.597 149 K HA 0.421 4.741 4.320 0.001 0.000 0.282 149 K C -2.799 173.520 176.600 -0.470 0.000 0.975 149 K CA -1.535 54.238 56.287 -0.856 0.000 0.867 149 K CB 1.377 33.243 32.500 -1.056 0.000 1.465 149 K HN -0.118 nan 8.250 nan 0.000 0.417 150 P HA -0.291 nan 4.420 nan 0.000 0.218 150 P C 1.028 178.278 177.300 -0.085 0.000 1.154 150 P CA 2.183 65.203 63.100 -0.133 0.000 0.872 150 P CB -0.001 31.721 31.700 0.037 0.000 0.790 151 S N -1.972 113.679 115.700 -0.083 0.000 2.507 151 S HA -0.084 4.386 4.470 0.001 0.000 0.235 151 S C 1.362 175.880 174.600 -0.137 0.000 0.988 151 S CA 0.986 59.122 58.200 -0.107 0.000 0.944 151 S CB -1.227 61.819 63.200 -0.257 0.000 0.762 151 S HN 0.314 nan 8.310 nan 0.000 0.526 152 N N 0.538 119.134 118.700 -0.173 0.000 2.235 152 N HA 0.318 5.059 4.740 0.001 0.000 0.209 152 N C -0.958 174.452 175.510 -0.167 0.000 1.122 152 N CA -0.067 52.888 53.050 -0.157 0.000 0.845 152 N CB 0.269 38.653 38.487 -0.173 0.000 1.004 152 N HN 0.332 nan 8.380 nan 0.000 0.499 153 L N 2.100 123.220 121.223 -0.172 0.000 2.324 153 L HA 0.432 4.772 4.340 0.001 0.000 0.274 153 L C -0.654 176.124 176.870 -0.154 0.000 1.012 153 L CA -0.439 54.292 54.840 -0.182 0.000 0.859 153 L CB 1.274 43.189 42.059 -0.239 0.000 1.224 153 L HN -0.064 nan 8.230 nan 0.000 0.429 154 L N 4.090 125.247 121.223 -0.110 0.000 2.334 154 L HA 0.553 4.893 4.340 0.001 0.000 0.277 154 L C -0.538 176.280 176.870 -0.087 0.000 1.075 154 L CA -0.733 54.056 54.840 -0.084 0.000 0.804 154 L CB 1.562 43.592 42.059 -0.048 0.000 1.174 154 L HN 0.338 nan 8.230 nan 0.000 0.438 155 L N 2.147 123.328 121.223 -0.071 0.000 2.350 155 L HA 0.536 4.877 4.340 0.001 0.000 0.260 155 L C -0.196 176.684 176.870 0.017 0.000 1.015 155 L CA -0.780 54.042 54.840 -0.030 0.000 0.821 155 L CB 1.632 43.658 42.059 -0.056 0.000 1.370 155 L HN 0.650 nan 8.230 nan 0.000 0.416 156 N N -2.220 116.514 118.700 0.057 0.000 2.989 156 N HA 0.384 5.125 4.740 0.001 0.000 0.338 156 N C 0.558 176.122 175.510 0.089 0.000 1.369 156 N CA -0.036 53.049 53.050 0.058 0.000 0.794 156 N CB -0.165 38.352 38.487 0.051 0.000 1.359 156 N HN 0.551 nan 8.380 nan 0.000 0.609 157 T N -4.719 109.881 114.554 0.077 0.000 3.163 157 T HA 0.008 4.358 4.350 0.001 0.000 0.260 157 T C 0.580 175.343 174.700 0.105 0.000 1.156 157 T CA 0.791 62.944 62.100 0.088 0.000 1.072 157 T CB -0.973 67.934 68.868 0.065 0.000 0.937 157 T HN 0.586 nan 8.240 nan 0.000 0.528 158 T N 0.067 114.687 114.554 0.111 0.000 3.122 158 T HA 0.248 4.599 4.350 0.001 0.000 0.250 158 T C 1.034 175.843 174.700 0.182 0.000 1.067 158 T CA -0.098 62.072 62.100 0.118 0.000 0.966 158 T CB -0.736 68.191 68.868 0.097 0.000 1.002 158 T HN 0.548 nan 8.240 nan 0.000 0.542 159 C N 2.176 121.614 119.300 0.231 0.000 4.400 159 C HA -0.131 4.330 4.460 0.001 0.000 0.275 159 C C 0.111 175.328 174.990 0.378 0.000 1.391 159 C CA -0.150 59.090 59.018 0.370 0.000 1.816 159 C CB -2.148 25.787 27.740 0.323 0.000 1.404 159 C HN 0.563 nan 8.230 nan 0.000 0.754 160 D N 0.392 120.933 120.400 0.235 0.000 2.351 160 D HA 0.502 5.143 4.640 0.001 0.000 0.251 160 D C -0.016 176.328 176.300 0.074 0.000 1.137 160 D CA 0.213 54.299 54.000 0.143 0.000 0.879 160 D CB 0.764 41.633 40.800 0.115 0.000 1.181 160 D HN 0.582 nan 8.370 nan 0.000 0.448 161 L N 1.907 123.127 121.223 -0.005 0.000 2.325 161 L HA 0.442 4.782 4.340 0.001 0.000 0.278 161 L C -0.698 176.140 176.870 -0.053 0.000 1.023 161 L CA -0.589 54.212 54.840 -0.064 0.000 0.811 161 L CB 0.880 42.864 42.059 -0.126 0.000 1.249 161 L HN 0.142 nan 8.230 nan 0.000 0.431 162 K N 6.316 126.685 120.400 -0.052 0.000 2.507 162 K HA 0.461 4.782 4.320 0.001 0.000 0.251 162 K C -1.181 175.407 176.600 -0.019 0.000 0.943 162 K CA -0.632 55.648 56.287 -0.012 0.000 0.794 162 K CB 2.423 34.934 32.500 0.019 0.000 1.188 162 K HN 0.537 nan 8.250 nan 0.000 0.428 163 I N 2.932 123.507 120.570 0.009 0.000 2.529 163 I HA 0.113 4.284 4.170 0.001 0.000 0.284 163 I C 0.649 176.863 176.117 0.162 0.000 1.082 163 I CA -0.228 61.072 61.300 -0.001 0.000 1.406 163 I CB 0.436 38.430 38.000 -0.009 0.000 1.405 163 I HN 0.759 nan 8.210 nan 0.000 0.548 164 C N 3.175 122.532 119.300 0.096 0.000 3.285 164 C HA 0.548 5.009 4.460 0.001 0.000 0.320 164 C C -0.537 174.524 174.990 0.119 0.000 1.411 164 C CA -0.741 58.397 59.018 0.199 0.000 1.429 164 C CB 1.915 29.712 27.740 0.094 0.000 1.812 164 C HN 0.966 nan 8.230 nan 0.000 0.454 165 D N 0.009 120.484 120.400 0.126 0.000 3.335 165 D HA -0.144 4.497 4.640 0.001 0.000 0.254 165 D C -0.763 175.370 176.300 -0.278 0.000 1.055 165 D CA 0.406 54.394 54.000 -0.020 0.000 0.971 165 D CB -0.811 39.960 40.800 -0.049 0.000 0.990 165 D HN 0.661 nan 8.370 nan 0.000 0.423 166 F N -0.088 119.721 119.950 -0.235 0.000 2.819 166 F HA 0.311 4.839 4.527 0.002 0.000 0.294 166 F C 2.146 177.787 175.800 -0.266 0.000 1.166 166 F CA 0.264 58.049 58.000 -0.359 0.000 1.374 166 F CB 0.628 39.469 39.000 -0.264 0.000 0.956 166 F HN 0.276 nan 8.300 nan 0.000 0.509 167 G N -0.071 108.664 108.800 -0.107 0.000 2.443 167 G HA2 -0.139 3.822 3.960 0.001 0.000 0.219 167 G HA3 -0.139 3.822 3.960 0.001 0.000 0.219 167 G C 1.341 176.166 174.900 -0.124 0.000 1.131 167 G CA 0.552 45.589 45.100 -0.105 0.000 0.775 167 G HN 0.414 nan 8.290 nan 0.000 0.547 168 L N 0.673 121.805 121.223 -0.153 0.000 2.728 168 L HA 0.442 4.783 4.340 0.001 0.000 0.238 168 L C 1.418 178.240 176.870 -0.080 0.000 1.143 168 L CA -0.549 54.215 54.840 -0.126 0.000 0.937 168 L CB 0.366 42.338 42.059 -0.146 0.000 1.225 168 L HN 0.152 nan 8.230 nan 0.000 0.507 169 A N 0.566 123.340 122.820 -0.075 0.000 2.483 169 A HA 0.499 4.820 4.320 0.001 0.000 0.238 169 A C 0.101 177.775 177.584 0.151 0.000 1.070 169 A CA 0.227 52.289 52.037 0.041 0.000 0.770 169 A CB 0.320 19.406 19.000 0.143 0.000 1.008 169 A HN 0.282 nan 8.150 nan 0.000 0.497 170 R N 0.069 120.687 120.500 0.196 0.000 2.867 170 R HA 0.582 4.923 4.340 0.001 0.000 0.268 170 R C -1.235 175.141 176.300 0.126 0.000 1.014 170 R CA -0.609 55.624 56.100 0.223 0.000 0.946 170 R CB 1.902 32.351 30.300 0.248 0.000 1.208 170 R HN 0.494 nan 8.270 nan 0.000 0.477 171 V N 2.539 122.469 119.914 0.026 0.000 2.461 171 V HA 0.433 4.554 4.120 0.001 0.000 0.275 171 V C 0.416 176.466 176.094 -0.073 0.000 1.047 171 V CA -0.672 61.581 62.300 -0.078 0.000 0.955 171 V CB 1.208 32.929 31.823 -0.170 0.000 0.988 171 V HN 0.945 nan 8.190 nan 0.000 0.471 172 A N 3.929 126.725 122.820 -0.039 0.000 2.583 172 A HA 0.257 4.578 4.320 0.001 0.000 0.231 172 A C 0.416 177.931 177.584 -0.116 0.000 1.065 172 A CA 0.533 52.541 52.037 -0.048 0.000 0.760 172 A CB -0.058 18.913 19.000 -0.048 0.000 1.001 172 A HN 0.933 nan 8.150 nan 0.000 0.509 173 D N 1.210 121.544 120.400 -0.111 0.000 3.117 173 D HA 0.255 4.896 4.640 0.001 0.000 0.241 173 D C -2.380 173.867 176.300 -0.089 0.000 1.385 173 D CA -0.804 53.080 54.000 -0.193 0.000 0.855 173 D CB 0.615 41.211 40.800 -0.339 0.000 1.498 173 D HN 0.099 nan 8.370 nan 0.000 0.584 174 P HA -0.036 nan 4.420 nan 0.000 0.219 174 P C 0.818 178.125 177.300 0.011 0.000 1.146 174 P CA 0.817 63.925 63.100 0.013 0.000 0.808 174 P CB 0.470 32.174 31.700 0.007 0.000 0.779 175 D N -1.705 118.631 120.400 -0.107 0.000 2.224 175 D HA -0.086 4.555 4.640 0.001 0.000 0.205 175 D C 0.565 176.950 176.300 0.141 0.000 0.965 175 D CA 1.071 55.040 54.000 -0.052 0.000 0.852 175 D CB -0.587 40.119 40.800 -0.157 0.000 0.947 175 D HN 0.464 nan 8.370 nan 0.000 0.494 176 H N -0.618 118.523 119.070 0.118 0.000 2.476 176 H HA 0.240 4.797 4.556 0.001 0.000 0.256 176 H C 0.072 175.564 175.328 0.274 0.000 1.321 176 H CA -0.301 55.843 56.048 0.161 0.000 1.056 176 H CB 0.643 30.480 29.762 0.125 0.000 1.643 176 H HN -0.112 nan 8.280 nan 0.000 0.541 177 D N -0.460 120.127 120.400 0.312 0.000 2.423 177 D HA -0.045 4.596 4.640 0.001 0.000 0.212 177 D C 0.811 177.200 176.300 0.148 0.000 1.060 177 D CA 0.034 54.180 54.000 0.243 0.000 0.872 177 D CB 0.515 41.424 40.800 0.181 0.000 1.012 177 D HN 0.438 nan 8.370 nan 0.000 0.503 178 H N -0.453 118.676 119.070 0.099 0.000 2.801 178 H HA 0.418 4.974 4.556 0.001 0.000 0.377 178 H C -0.253 175.105 175.328 0.050 0.000 1.304 178 H CA 1.086 57.172 56.048 0.063 0.000 1.451 178 H CB 0.685 30.489 29.762 0.070 0.000 1.474 178 H HN -0.077 nan 8.280 nan 0.000 0.620 179 T N 0.920 115.171 114.554 -0.505 0.000 2.800 179 T HA 0.384 4.735 4.350 0.001 0.000 0.327 179 T C -0.378 174.153 174.700 -0.283 0.000 1.838 179 T CA -0.191 61.781 62.100 -0.212 0.000 1.024 179 T CB -0.142 68.650 68.868 -0.127 0.000 1.755 179 T HN 0.949 nan 8.240 nan 0.000 0.507 180 G N 1.050 109.813 108.800 -0.063 0.000 2.636 180 G HA2 0.466 4.426 3.960 0.001 0.000 0.246 180 G HA3 0.466 4.426 3.960 0.001 0.000 0.246 180 G C -0.311 174.621 174.900 0.052 0.000 1.216 180 G CA -0.439 44.673 45.100 0.020 0.000 0.854 180 G HN 0.661 nan 8.290 nan 0.000 0.572 181 F N 0.676 120.598 119.950 -0.046 0.000 2.607 181 F HA 0.202 4.730 4.527 0.001 0.000 0.374 181 F C 1.245 177.026 175.800 -0.031 0.000 1.104 181 F CA -0.391 57.589 58.000 -0.034 0.000 1.296 181 F CB 0.004 39.001 39.000 -0.006 0.000 1.085 181 F HN 0.423 nan 8.300 nan 0.000 0.584 182 L N 3.789 124.714 121.223 -0.497 0.000 3.608 182 L HA -0.248 4.093 4.340 0.001 0.000 0.422 182 L C -0.064 176.644 176.870 -0.271 0.000 1.260 182 L CA 0.399 54.962 54.840 -0.463 0.000 0.889 182 L CB -2.463 39.098 42.059 -0.830 0.000 1.821 182 L HN 0.707 nan 8.230 nan 0.000 0.884 183 T N 0.805 115.302 114.554 -0.095 0.000 2.729 183 T HA 0.253 4.603 4.350 0.001 0.000 0.296 183 T C 0.579 175.271 174.700 -0.013 0.000 0.928 183 T CA -0.629 61.422 62.100 -0.082 0.000 1.045 183 T CB 0.960 69.793 68.868 -0.058 0.000 0.902 183 T HN 0.090 nan 8.240 nan 0.000 0.500 184 E N 2.155 122.289 120.200 -0.110 0.000 2.565 184 E HA 0.010 4.361 4.350 0.001 0.000 0.268 184 E C -0.746 175.979 176.600 0.207 0.000 1.000 184 E CA 0.726 57.105 56.400 -0.036 0.000 0.964 184 E CB 0.141 29.785 29.700 -0.092 0.000 0.955 184 E HN 0.573 nan 8.360 nan 0.000 0.459 185 Y N 0.210 120.555 120.300 0.076 0.000 2.544 185 Y HA 0.189 4.740 4.550 0.002 0.000 0.342 185 Y C 0.540 176.460 175.900 0.034 0.000 1.062 185 Y CA -0.655 57.472 58.100 0.045 0.000 1.023 185 Y CB 1.302 39.797 38.460 0.059 0.000 1.308 185 Y HN 0.204 nan 8.280 nan 0.000 0.457 186 V N 2.428 122.137 119.914 -0.342 0.000 2.825 186 V HA 0.193 4.313 4.120 0.001 0.000 0.246 186 V C 0.984 176.944 176.094 -0.223 0.000 1.068 186 V CA 0.879 63.032 62.300 -0.245 0.000 1.088 186 V CB -0.468 31.203 31.823 -0.255 0.000 0.733 186 V HN 0.850 nan 8.190 nan 0.000 0.468 187 A N 0.435 123.021 122.820 -0.390 0.000 2.520 187 A HA 0.185 4.506 4.320 0.001 0.000 0.235 187 A C 0.756 178.376 177.584 0.060 0.000 1.065 187 A CA 0.297 52.263 52.037 -0.119 0.000 0.764 187 A CB -0.334 18.658 19.000 -0.013 0.000 1.002 187 A HN 0.388 nan 8.150 nan 0.000 0.502 188 T N 3.003 117.597 114.554 0.067 0.000 2.704 188 T HA -0.019 4.332 4.350 0.001 0.000 0.271 188 T C 1.583 176.382 174.700 0.164 0.000 1.000 188 T CA 0.666 62.818 62.100 0.086 0.000 1.216 188 T CB -0.098 68.850 68.868 0.134 0.000 0.961 188 T HN 0.756 nan 8.240 nan 0.000 0.515 189 R N 2.728 123.268 120.500 0.066 0.000 2.179 189 R HA -0.210 4.131 4.340 0.001 0.000 0.238 189 R C 1.704 178.127 176.300 0.205 0.000 1.119 189 R CA 2.373 58.534 56.100 0.103 0.000 0.915 189 R CB -0.264 30.075 30.300 0.066 0.000 0.870 189 R HN 0.713 nan 8.270 nan 0.000 0.432 190 W N -0.354 120.894 121.300 -0.087 0.000 2.292 190 W HA -0.223 4.438 4.660 0.002 0.000 0.304 190 W C 1.718 178.040 176.519 -0.329 0.000 1.228 190 W CA 1.073 58.240 57.345 -0.296 0.000 1.241 190 W CB -1.072 28.041 29.460 -0.579 0.000 1.142 190 W HN 0.353 nan 8.180 nan 0.000 0.520 191 Y N -0.593 119.950 120.300 0.406 0.000 2.571 191 Y HA 0.277 4.828 4.550 0.001 0.000 0.275 191 Y C 0.971 177.105 175.900 0.390 0.000 1.179 191 Y CA -0.529 57.799 58.100 0.380 0.000 1.242 191 Y CB -0.646 37.962 38.460 0.248 0.000 1.126 191 Y HN -0.350 nan 8.280 nan 0.000 0.524 192 R N 1.359 122.061 120.500 0.336 0.000 2.340 192 R HA 0.508 4.849 4.340 0.001 0.000 0.300 192 R C 0.365 176.561 176.300 -0.174 0.000 1.069 192 R CA -0.323 55.846 56.100 0.116 0.000 0.984 192 R CB 0.769 31.072 30.300 0.005 0.000 1.003 192 R HN 0.242 nan 8.270 nan 0.000 0.459 193 A N 5.417 127.975 122.820 -0.437 0.000 2.425 193 A HA 0.172 4.492 4.320 0.001 0.000 0.242 193 A C -1.316 175.692 177.584 -0.961 0.000 1.077 193 A CA -1.212 50.126 52.037 -1.166 0.000 0.781 193 A CB 0.021 18.605 19.000 -0.693 0.000 1.020 193 A HN 0.554 nan 8.150 nan 0.000 0.494 194 P HA -0.215 nan 4.420 nan 0.000 0.216 194 P C 1.018 177.976 177.300 -0.570 0.000 1.150 194 P CA 1.638 64.272 63.100 -0.778 0.000 0.837 194 P CB -0.043 31.129 31.700 -0.880 0.000 0.786 195 E N -0.051 119.781 120.200 -0.614 0.000 2.333 195 E HA -0.129 4.221 4.350 0.001 0.000 0.198 195 E C 1.833 178.222 176.600 -0.352 0.000 1.007 195 E CA 0.769 56.914 56.400 -0.426 0.000 0.845 195 E CB -0.803 28.653 29.700 -0.406 0.000 0.766 195 E HN 0.206 nan 8.360 nan 0.000 0.507 196 I N 0.664 120.972 120.570 -0.437 0.000 2.315 196 I HA -0.157 4.013 4.170 0.001 0.000 0.248 196 I C 1.972 177.895 176.117 -0.322 0.000 1.117 196 I CA 1.068 62.083 61.300 -0.476 0.000 1.404 196 I CB -0.621 36.988 38.000 -0.651 0.000 1.071 196 I HN 0.135 nan 8.210 nan 0.000 0.419 197 M N -0.576 118.844 119.600 -0.299 0.000 2.556 197 M HA 0.055 4.535 4.480 0.001 0.000 0.245 197 M C 1.893 178.219 176.300 0.044 0.000 1.128 197 M CA 1.015 56.198 55.300 -0.194 0.000 1.069 197 M CB -0.172 32.245 32.600 -0.304 0.000 1.469 197 M HN 0.070 nan 8.290 nan 0.000 0.494 198 L N -0.308 120.944 121.223 0.049 0.000 2.433 198 L HA 0.218 4.559 4.340 0.001 0.000 0.200 198 L C 0.417 177.354 176.870 0.113 0.000 1.059 198 L CA 0.385 55.366 54.840 0.235 0.000 0.835 198 L CB 0.119 42.248 42.059 0.117 0.000 1.076 198 L HN 0.432 nan 8.230 nan 0.000 0.481 199 N N -1.572 117.078 118.700 -0.083 0.000 2.706 199 N HA -0.017 4.723 4.740 0.001 0.000 0.219 199 N C -0.834 174.492 175.510 -0.306 0.000 1.336 199 N CA -0.075 52.824 53.050 -0.251 0.000 1.663 199 N CB -0.294 38.011 38.487 -0.303 0.000 1.373 199 N HN -0.046 nan 8.380 nan 0.000 0.619 200 S N -0.058 115.493 115.700 -0.247 0.000 2.526 200 S HA 0.480 4.951 4.470 0.001 0.000 0.293 200 S C 0.404 174.838 174.600 -0.276 0.000 1.092 200 S CA -0.543 57.517 58.200 -0.234 0.000 0.980 200 S CB 1.380 64.430 63.200 -0.250 0.000 1.048 200 S HN 0.218 nan 8.310 nan 0.000 0.483 201 K N 2.263 122.511 120.400 -0.253 0.000 2.400 201 K HA 0.184 4.505 4.320 0.001 0.000 0.194 201 K C 0.964 177.293 176.600 -0.452 0.000 1.033 201 K CA 0.583 56.645 56.287 -0.376 0.000 1.021 201 K CB 0.131 32.330 32.500 -0.503 0.000 0.808 201 K HN 1.064 nan 8.250 nan 0.000 0.505 202 G N 1.609 110.227 108.800 -0.303 0.000 2.248 202 G HA2 -0.231 3.729 3.960 0.001 0.000 0.263 202 G HA3 -0.231 3.729 3.960 0.001 0.000 0.263 202 G C -0.137 174.796 174.900 0.056 0.000 1.082 202 G CA -0.232 44.801 45.100 -0.112 0.000 0.863 202 G HN 0.261 nan 8.290 nan 0.000 0.495 203 Y N 0.314 120.649 120.300 0.058 0.000 2.584 203 Y HA 0.381 4.932 4.550 0.002 0.000 0.254 203 Y C 1.400 177.307 175.900 0.013 0.000 1.177 203 Y CA -0.222 57.909 58.100 0.051 0.000 1.216 203 Y CB 0.525 39.019 38.460 0.057 0.000 1.172 203 Y HN 0.212 nan 8.280 nan 0.000 0.529 204 T N -0.643 113.997 114.554 0.143 0.000 2.885 204 T HA 0.222 4.573 4.350 0.001 0.000 0.285 204 T C 1.041 175.748 174.700 0.012 0.000 1.019 204 T CA -0.790 61.344 62.100 0.056 0.000 1.010 204 T CB 2.139 71.031 68.868 0.040 0.000 1.022 204 T HN -0.011 nan 8.240 nan 0.000 0.466 205 K N 1.058 121.410 120.400 -0.080 0.000 2.211 205 K HA -0.123 4.198 4.320 0.001 0.000 0.204 205 K C 2.335 178.957 176.600 0.036 0.000 1.047 205 K CA 1.507 57.668 56.287 -0.210 0.000 0.935 205 K CB -0.096 32.145 32.500 -0.433 0.000 0.728 205 K HN 0.646 nan 8.250 nan 0.000 0.452 206 S N 0.837 116.569 115.700 0.052 0.000 2.469 206 S HA -0.152 4.319 4.470 0.001 0.000 0.238 206 S C 1.855 176.533 174.600 0.130 0.000 0.998 206 S CA 0.791 59.049 58.200 0.095 0.000 0.957 206 S CB -0.269 62.955 63.200 0.039 0.000 0.764 206 S HN 0.144 nan 8.310 nan 0.000 0.514 207 I N 2.584 123.218 120.570 0.107 0.000 2.315 207 I HA -0.104 4.067 4.170 0.001 0.000 0.248 207 I C 1.782 178.031 176.117 0.221 0.000 1.117 207 I CA 1.281 62.656 61.300 0.125 0.000 1.404 207 I CB -0.288 37.765 38.000 0.089 0.000 1.071 207 I HN 0.132 nan 8.210 nan 0.000 0.419 208 D N 0.079 120.625 120.400 0.244 0.000 2.149 208 D HA -0.076 4.565 4.640 0.001 0.000 0.201 208 D C 2.270 178.679 176.300 0.181 0.000 0.972 208 D CA 1.024 55.169 54.000 0.242 0.000 0.835 208 D CB -0.017 41.001 40.800 0.362 0.000 0.966 208 D HN 0.215 nan 8.370 nan 0.000 0.476 209 I N 0.393 121.085 120.570 0.203 0.000 2.394 209 I HA -0.209 3.962 4.170 0.001 0.000 0.251 209 I C 2.333 178.526 176.117 0.126 0.000 1.136 209 I CA 0.651 62.028 61.300 0.129 0.000 1.425 209 I CB -0.816 37.265 38.000 0.134 0.000 1.079 209 I HN 0.292 nan 8.210 nan 0.000 0.425 210 W N 1.937 123.267 121.300 0.050 0.000 2.381 210 W HA -0.187 4.473 4.660 0.001 0.000 0.301 210 W C 2.478 179.058 176.519 0.102 0.000 1.205 210 W CA 1.483 58.865 57.345 0.063 0.000 1.285 210 W CB -0.251 29.233 29.460 0.040 0.000 1.133 210 W HN 0.058 nan 8.180 nan 0.000 0.521 211 S N 0.846 116.717 115.700 0.284 0.000 2.356 211 S HA -0.197 4.274 4.470 0.001 0.000 0.223 211 S C 1.860 176.492 174.600 0.053 0.000 1.032 211 S CA 1.893 60.236 58.200 0.238 0.000 1.005 211 S CB -0.743 62.581 63.200 0.206 0.000 0.867 211 S HN 0.115 nan 8.310 nan 0.000 0.449 212 V N 1.639 121.539 119.914 -0.022 0.000 2.469 212 V HA -0.172 3.949 4.120 0.001 0.000 0.251 212 V C 2.551 178.559 176.094 -0.143 0.000 1.064 212 V CA 1.868 64.111 62.300 -0.094 0.000 1.066 212 V CB -1.528 30.233 31.823 -0.102 0.000 0.667 212 V HN 0.591 nan 8.190 nan 0.000 0.461 213 G N -1.158 107.520 108.800 -0.203 0.000 2.418 213 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 213 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 213 G C 1.717 176.426 174.900 -0.318 0.000 1.158 213 G CA 1.253 46.156 45.100 -0.328 0.000 0.771 213 G HN 0.542 nan 8.290 nan 0.000 0.545 214 C N 0.526 119.688 119.300 -0.230 0.000 2.425 214 C HA 0.029 4.489 4.460 0.001 0.000 0.277 214 C C 2.851 177.846 174.990 0.009 0.000 1.280 214 C CA 0.489 59.466 59.018 -0.069 0.000 1.744 214 C CB -0.964 26.898 27.740 0.204 0.000 1.989 214 C HN 0.478 nan 8.230 nan 0.000 0.491 215 I N 0.138 120.721 120.570 0.022 0.000 2.252 215 I HA -0.199 3.972 4.170 0.001 0.000 0.245 215 I C 2.602 178.656 176.117 -0.105 0.000 1.102 215 I CA 1.214 62.505 61.300 -0.016 0.000 1.385 215 I CB -0.611 37.335 38.000 -0.089 0.000 1.064 215 I HN 0.343 nan 8.210 nan 0.000 0.414 216 L N 1.032 122.149 121.223 -0.178 0.000 1.989 216 L HA -0.272 4.069 4.340 0.001 0.000 0.211 216 L C 2.863 179.525 176.870 -0.346 0.000 1.071 216 L CA 2.029 56.722 54.840 -0.246 0.000 0.749 216 L CB -0.428 41.439 42.059 -0.320 0.000 0.890 216 L HN 0.280 nan 8.230 nan 0.000 0.431 217 A N -0.552 122.008 122.820 -0.433 0.000 1.883 217 A HA -0.313 4.008 4.320 0.001 0.000 0.217 217 A C 2.138 179.511 177.584 -0.352 0.000 1.186 217 A CA 2.062 53.737 52.037 -0.604 0.000 0.624 217 A CB -0.689 18.032 19.000 -0.465 0.000 0.822 217 A HN 0.585 nan 8.150 nan 0.000 0.444 218 E N -1.010 119.095 120.200 -0.158 0.000 2.204 218 E HA -0.131 4.220 4.350 0.001 0.000 0.195 218 E C 1.976 178.538 176.600 -0.064 0.000 0.990 218 E CA 1.005 57.377 56.400 -0.046 0.000 0.821 218 E CB -0.146 29.586 29.700 0.053 0.000 0.750 218 E HN 0.653 nan 8.360 nan 0.000 0.477 219 M N -0.151 119.387 119.600 -0.103 0.000 2.349 219 M HA -0.063 4.417 4.480 0.001 0.000 0.266 219 M C 1.866 178.096 176.300 -0.117 0.000 1.076 219 M CA 0.760 56.015 55.300 -0.075 0.000 1.126 219 M CB 0.201 32.784 32.600 -0.028 0.000 1.392 219 M HN 0.201 nan 8.290 nan 0.000 0.440 220 L N -0.850 120.254 121.223 -0.199 0.000 2.341 220 L HA -0.056 4.285 4.340 0.001 0.000 0.214 220 L C 2.135 178.976 176.870 -0.049 0.000 1.115 220 L CA 0.937 55.655 54.840 -0.203 0.000 0.820 220 L CB -0.058 41.717 42.059 -0.474 0.000 0.944 220 L HN 0.321 nan 8.230 nan 0.000 0.452 221 S N -3.310 112.401 115.700 0.018 0.000 2.632 221 S HA 0.118 4.588 4.470 0.001 0.000 0.237 221 S C 0.606 175.232 174.600 0.043 0.000 1.037 221 S CA -0.072 58.208 58.200 0.133 0.000 1.009 221 S CB 0.155 63.575 63.200 0.366 0.000 0.974 221 S HN 0.374 nan 8.310 nan 0.000 0.544 222 N N 1.272 119.962 118.700 -0.017 0.000 2.741 222 N HA -0.195 4.545 4.740 0.001 0.000 0.250 222 N C -0.381 175.143 175.510 0.024 0.000 1.115 222 N CA 1.377 54.425 53.050 -0.004 0.000 0.724 222 N CB -1.174 37.331 38.487 0.031 0.000 1.090 222 N HN 0.928 nan 8.380 nan 0.000 0.558 223 R N -2.685 117.832 120.500 0.028 0.000 2.594 223 R HA 0.594 4.935 4.340 0.001 0.000 0.265 223 R C -3.471 172.817 176.300 -0.021 0.000 1.070 223 R CA -1.857 54.248 56.100 0.008 0.000 0.909 223 R CB 1.326 31.624 30.300 -0.003 0.000 1.243 223 R HN -0.261 nan 8.270 nan 0.000 0.455 224 P HA 0.039 nan 4.420 nan 0.000 0.263 224 P C 0.268 177.398 177.300 -0.284 0.000 1.195 224 P CA -0.142 62.842 63.100 -0.193 0.000 0.762 224 P CB 0.572 32.004 31.700 -0.447 0.000 0.799 225 I N 3.138 123.526 120.570 -0.302 0.000 2.315 225 I HA -0.095 4.076 4.170 0.001 0.000 0.248 225 I C 0.139 175.877 176.117 -0.631 0.000 1.117 225 I CA 1.465 62.473 61.300 -0.487 0.000 1.404 225 I CB 0.145 37.726 38.000 -0.699 0.000 1.071 225 I HN 0.110 nan 8.210 nan 0.000 0.419 226 F N 2.263 122.131 119.950 -0.137 0.000 2.531 226 F HA 0.408 4.936 4.527 0.001 0.000 0.333 226 F C -2.214 173.203 175.800 -0.638 0.000 1.292 226 F CA -2.883 55.025 58.000 -0.153 0.000 1.184 226 F CB 0.195 39.220 39.000 0.042 0.000 1.426 226 F HN -0.019 nan 8.300 nan 0.000 0.559 227 P HA 0.133 nan 4.420 nan 0.000 0.218 227 P C 0.707 177.354 177.300 -1.089 0.000 1.793 227 P CA 0.097 62.211 63.100 -1.643 0.000 0.941 227 P CB 0.179 31.073 31.700 -1.344 0.000 1.919 228 G N 2.017 110.274 108.800 -0.906 0.000 2.265 228 G HA2 -0.083 3.878 3.960 0.001 0.000 0.240 228 G HA3 -0.083 3.878 3.960 0.001 0.000 0.240 228 G C 1.035 175.867 174.900 -0.114 0.000 1.270 228 G CA -0.343 44.391 45.100 -0.610 0.000 0.901 228 G HN 0.139 nan 8.290 nan 0.000 0.507 229 K N 1.352 121.664 120.400 -0.146 0.000 2.097 229 K HA -0.049 4.272 4.320 0.001 0.000 0.205 229 K C 0.835 177.481 176.600 0.078 0.000 1.050 229 K CA 1.481 57.778 56.287 0.016 0.000 0.938 229 K CB -0.060 32.460 32.500 0.033 0.000 0.718 229 K HN 0.926 nan 8.250 nan 0.000 0.442 230 H N -4.659 114.484 119.070 0.121 0.000 3.218 230 H HA 0.146 4.702 4.556 0.001 0.000 0.303 230 H C 0.949 176.354 175.328 0.130 0.000 1.605 230 H CA -0.875 55.246 56.048 0.122 0.000 1.298 230 H CB -0.176 29.652 29.762 0.110 0.000 1.856 230 H HN -0.172 nan 8.280 nan 0.000 0.656 231 Y N 0.164 120.593 120.300 0.215 0.000 2.070 231 Y HA -0.186 4.365 4.550 0.001 0.000 0.280 231 Y C 2.067 178.010 175.900 0.072 0.000 1.148 231 Y CA 2.055 60.212 58.100 0.095 0.000 1.125 231 Y CB -0.240 38.237 38.460 0.030 0.000 0.975 231 Y HN 0.479 nan 8.280 nan 0.000 0.492 232 L N 0.292 121.719 121.223 0.340 0.000 2.341 232 L HA -0.022 4.319 4.340 0.001 0.000 0.214 232 L C 1.744 178.686 176.870 0.121 0.000 1.115 232 L CA 1.888 56.829 54.840 0.169 0.000 0.820 232 L CB -0.693 41.476 42.059 0.183 0.000 0.944 232 L HN 0.293 nan 8.230 nan 0.000 0.452 233 D N -1.130 119.308 120.400 0.064 0.000 2.178 233 D HA -0.260 4.381 4.640 0.001 0.000 0.201 233 D C 2.091 178.412 176.300 0.035 0.000 0.980 233 D CA 0.888 54.841 54.000 -0.078 0.000 0.842 233 D CB 0.142 40.555 40.800 -0.645 0.000 0.948 233 D HN 0.332 nan 8.370 nan 0.000 0.472 234 Q N -0.232 119.536 119.800 -0.053 0.000 2.096 234 Q HA -0.119 4.222 4.340 0.001 0.000 0.204 234 Q C 1.958 177.939 176.000 -0.031 0.000 0.982 234 Q CA 1.136 56.901 55.803 -0.062 0.000 0.850 234 Q CB -0.644 28.024 28.738 -0.118 0.000 0.901 234 Q HN 0.404 nan 8.270 nan 0.000 0.422 235 L N 0.458 121.655 121.223 -0.043 0.000 2.056 235 L HA -0.093 4.248 4.340 0.001 0.000 0.207 235 L C 1.451 178.360 176.870 0.064 0.000 1.078 235 L CA 1.795 56.628 54.840 -0.011 0.000 0.749 235 L CB -0.912 41.187 42.059 0.066 0.000 0.901 235 L HN 0.229 nan 8.230 nan 0.000 0.433 236 N N -0.882 117.890 118.700 0.119 0.000 2.223 236 N HA -0.204 4.537 4.740 0.001 0.000 0.185 236 N C 1.792 177.343 175.510 0.069 0.000 1.016 236 N CA 1.446 54.560 53.050 0.107 0.000 0.863 236 N CB -0.401 38.161 38.487 0.125 0.000 0.983 236 N HN 0.521 nan 8.380 nan 0.000 0.429 237 H N 0.600 119.674 119.070 0.006 0.000 2.299 237 H HA 0.135 4.692 4.556 0.001 0.000 0.302 237 H C 2.124 177.491 175.328 0.066 0.000 1.078 237 H CA 1.133 57.227 56.048 0.077 0.000 1.323 237 H CB -0.224 29.613 29.762 0.125 0.000 1.381 237 H HN 0.111 nan 8.280 nan 0.000 0.498 238 I N 0.063 120.558 120.570 -0.125 0.000 2.208 238 I HA -0.276 3.895 4.170 0.001 0.000 0.245 238 I C 1.811 177.886 176.117 -0.070 0.000 1.097 238 I CA 1.172 62.157 61.300 -0.525 0.000 1.363 238 I CB -0.193 37.515 38.000 -0.488 0.000 1.051 238 I HN 0.221 nan 8.210 nan 0.000 0.413 239 L N 0.065 121.285 121.223 -0.006 0.000 2.291 239 L HA -0.068 4.273 4.340 0.001 0.000 0.214 239 L C 2.495 179.353 176.870 -0.020 0.000 1.120 239 L CA 0.965 55.807 54.840 0.004 0.000 0.799 239 L CB -0.873 41.180 42.059 -0.010 0.000 0.925 239 L HN 0.316 nan 8.230 nan 0.000 0.446 240 G N -0.047 108.751 108.800 -0.003 0.000 2.484 240 G HA2 -0.121 3.840 3.960 0.001 0.000 0.218 240 G HA3 -0.121 3.840 3.960 0.001 0.000 0.218 240 G C 1.515 176.397 174.900 -0.030 0.000 1.130 240 G CA 0.418 45.495 45.100 -0.039 0.000 0.784 240 G HN 0.298 nan 8.290 nan 0.000 0.543 241 I N -0.333 120.271 120.570 0.057 0.000 3.039 241 I HA 0.188 4.359 4.170 0.001 0.000 0.270 241 I C 2.229 178.289 176.117 -0.096 0.000 1.150 241 I CA 0.227 61.529 61.300 0.003 0.000 1.448 241 I CB 0.157 38.278 38.000 0.202 0.000 1.197 241 I HN 0.013 nan 8.210 nan 0.000 0.450 242 L N 0.410 121.648 121.223 0.024 0.000 2.341 242 L HA 0.257 4.597 4.340 0.001 0.000 0.214 242 L C 1.153 177.996 176.870 -0.044 0.000 1.115 242 L CA 0.512 55.364 54.840 0.020 0.000 0.820 242 L CB -1.087 41.089 42.059 0.196 0.000 0.944 242 L HN 0.444 nan 8.230 nan 0.000 0.452 243 G N -0.088 108.668 108.800 -0.073 0.000 2.728 243 G HA2 -0.213 3.747 3.960 0.001 0.000 0.294 243 G HA3 -0.213 3.747 3.960 0.001 0.000 0.294 243 G C -0.338 174.485 174.900 -0.129 0.000 1.342 243 G CA -0.468 44.562 45.100 -0.116 0.000 0.866 243 G HN 0.135 nan 8.290 nan 0.000 0.534 244 S N 2.511 118.140 115.700 -0.118 0.000 2.562 244 S HA 0.516 4.987 4.470 0.001 0.000 0.281 244 S C -1.505 172.969 174.600 -0.211 0.000 1.333 244 S CA -0.143 57.980 58.200 -0.128 0.000 1.052 244 S CB 1.148 64.365 63.200 0.028 0.000 0.884 244 S HN 0.787 nan 8.310 nan 0.000 0.506 245 P HA 0.138 nan 4.420 nan 0.000 0.271 245 P C 0.055 177.203 177.300 -0.253 0.000 1.218 245 P CA -0.399 62.371 63.100 -0.550 0.000 0.780 245 P CB 0.523 31.590 31.700 -1.055 0.000 0.901 246 S N 1.217 116.820 115.700 -0.161 0.000 2.626 246 S HA 0.015 4.485 4.470 0.001 0.000 0.257 246 S C 1.434 175.997 174.600 -0.060 0.000 1.288 246 S CA -0.081 58.071 58.200 -0.079 0.000 0.980 246 S CB 0.459 63.641 63.200 -0.031 0.000 0.975 246 S HN 0.445 nan 8.310 nan 0.000 0.577 247 Q N 0.333 120.110 119.800 -0.039 0.000 2.061 247 Q HA -0.135 4.206 4.340 0.001 0.000 0.204 247 Q C 2.096 178.099 176.000 0.005 0.000 0.984 247 Q CA 2.250 58.039 55.803 -0.023 0.000 0.846 247 Q CB -0.480 28.245 28.738 -0.021 0.000 0.902 247 Q HN 0.867 nan 8.270 nan 0.000 0.421 248 E N -0.402 119.809 120.200 0.019 0.000 2.023 248 E HA -0.220 4.131 4.350 0.001 0.000 0.196 248 E C 1.516 178.164 176.600 0.080 0.000 1.003 248 E CA 1.475 57.903 56.400 0.046 0.000 0.809 248 E CB -0.084 29.648 29.700 0.054 0.000 0.755 248 E HN 0.460 nan 8.360 nan 0.000 0.449 249 D N 0.506 120.961 120.400 0.092 0.000 2.158 249 D HA -0.188 4.453 4.640 0.001 0.000 0.197 249 D C 2.063 178.466 176.300 0.171 0.000 0.995 249 D CA 0.824 54.928 54.000 0.173 0.000 0.846 249 D CB -0.291 40.610 40.800 0.169 0.000 0.941 249 D HN 0.241 nan 8.370 nan 0.000 0.456 250 L N 0.403 121.671 121.223 0.074 0.000 2.141 250 L HA -0.109 4.232 4.340 0.001 0.000 0.209 250 L C 1.932 178.844 176.870 0.071 0.000 1.094 250 L CA 0.840 55.717 54.840 0.062 0.000 0.763 250 L CB -0.343 41.714 42.059 -0.004 0.000 0.908 250 L HN 0.062 nan 8.230 nan 0.000 0.437 251 N N -0.979 117.759 118.700 0.063 0.000 2.244 251 N HA -0.172 4.569 4.740 0.001 0.000 0.183 251 N C 1.886 177.442 175.510 0.077 0.000 1.016 251 N CA 1.147 54.230 53.050 0.054 0.000 0.866 251 N CB -0.132 38.379 38.487 0.040 0.000 0.980 251 N HN 0.331 nan 8.380 nan 0.000 0.430 252 C N 1.094 120.465 119.300 0.118 0.000 2.411 252 C HA -0.025 4.436 4.460 0.001 0.000 0.279 252 C C 1.222 176.306 174.990 0.157 0.000 1.288 252 C CA 0.053 59.166 59.018 0.159 0.000 1.764 252 C CB -0.822 27.081 27.740 0.271 0.000 1.974 252 C HN 0.341 nan 8.230 nan 0.000 0.498 253 I N 1.677 122.333 120.570 0.144 0.000 2.311 253 I HA 0.055 4.226 4.170 0.001 0.000 0.297 253 I C 1.078 177.254 176.117 0.100 0.000 1.131 253 I CA 0.195 61.577 61.300 0.137 0.000 1.289 253 I CB 0.301 38.378 38.000 0.129 0.000 1.446 253 I HN 0.216 nan 8.210 nan 0.000 0.524 254 I N 5.474 126.102 120.570 0.097 0.000 3.030 254 I HA -0.029 4.142 4.170 0.001 0.000 0.270 254 I C 1.455 177.612 176.117 0.066 0.000 1.211 254 I CA 0.432 61.762 61.300 0.050 0.000 1.479 254 I CB -0.110 37.890 38.000 0.000 0.000 1.105 254 I HN 0.569 nan 8.210 nan 0.000 0.447 255 N N 1.754 120.542 118.700 0.146 0.000 2.429 255 N HA -0.087 4.654 4.740 0.001 0.000 0.271 255 N C 1.078 176.634 175.510 0.076 0.000 1.272 255 N CA 0.099 53.255 53.050 0.177 0.000 0.921 255 N CB 0.606 39.271 38.487 0.297 0.000 1.128 255 N HN 0.410 nan 8.380 nan 0.000 0.481 256 L N 3.962 125.215 121.223 0.050 0.000 2.012 256 L HA -0.212 4.129 4.340 0.001 0.000 0.210 256 L C 2.464 179.313 176.870 -0.036 0.000 1.073 256 L CA 1.530 56.376 54.840 0.010 0.000 0.748 256 L CB -0.271 41.798 42.059 0.017 0.000 0.891 256 L HN 0.574 nan 8.230 nan 0.000 0.431 257 K N -0.458 119.925 120.400 -0.028 0.000 2.063 257 K HA -0.186 4.134 4.320 0.001 0.000 0.208 257 K C 2.039 178.358 176.600 -0.469 0.000 1.048 257 K CA 1.565 57.789 56.287 -0.106 0.000 0.928 257 K CB -0.299 32.243 32.500 0.070 0.000 0.713 257 K HN 0.348 nan 8.250 nan 0.000 0.442 258 A N 0.570 123.111 122.820 -0.465 0.000 1.873 258 A HA -0.173 4.148 4.320 0.001 0.000 0.215 258 A C 2.080 179.476 177.584 -0.313 0.000 1.186 258 A CA 1.831 53.464 52.037 -0.674 0.000 0.616 258 A CB -0.536 18.372 19.000 -0.154 0.000 0.823 258 A HN 0.294 nan 8.150 nan 0.000 0.442 259 R N 0.429 120.844 120.500 -0.141 0.000 2.073 259 R HA -0.122 4.219 4.340 0.001 0.000 0.234 259 R C 1.752 177.998 176.300 -0.091 0.000 1.134 259 R CA 2.303 58.361 56.100 -0.070 0.000 0.952 259 R CB -0.891 29.393 30.300 -0.026 0.000 0.850 259 R HN 0.656 nan 8.270 nan 0.000 0.433 260 N N -1.229 117.413 118.700 -0.098 0.000 2.309 260 N HA -0.180 4.560 4.740 0.001 0.000 0.182 260 N C 1.246 176.720 175.510 -0.061 0.000 1.018 260 N CA 0.974 53.983 53.050 -0.068 0.000 0.876 260 N CB -0.181 38.282 38.487 -0.041 0.000 0.972 260 N HN 0.248 nan 8.380 nan 0.000 0.434 261 Y N 1.333 121.483 120.300 -0.250 0.000 2.133 261 Y HA -0.123 4.428 4.550 0.001 0.000 0.287 261 Y C 1.818 177.660 175.900 -0.096 0.000 1.134 261 Y CA 1.117 59.103 58.100 -0.191 0.000 1.133 261 Y CB -0.548 37.686 38.460 -0.378 0.000 0.987 261 Y HN -0.045 nan 8.280 nan 0.000 0.502 262 L N 0.325 121.364 121.223 -0.307 0.000 2.079 262 L HA -0.239 4.102 4.340 0.001 0.000 0.210 262 L C 2.457 179.170 176.870 -0.262 0.000 1.081 262 L CA 1.561 56.204 54.840 -0.328 0.000 0.752 262 L CB -1.437 40.543 42.059 -0.132 0.000 0.896 262 L HN 0.372 nan 8.230 nan 0.000 0.433 263 L N -0.961 120.157 121.223 -0.176 0.000 2.217 263 L HA -0.127 4.214 4.340 0.001 0.000 0.211 263 L C 2.414 179.213 176.870 -0.118 0.000 1.107 263 L CA 1.129 55.895 54.840 -0.123 0.000 0.783 263 L CB -0.450 41.561 42.059 -0.080 0.000 0.919 263 L HN 0.407 nan 8.230 nan 0.000 0.442 264 S N -0.722 114.896 115.700 -0.137 0.000 2.555 264 S HA -0.018 4.453 4.470 0.001 0.000 0.230 264 S C 0.723 175.250 174.600 -0.120 0.000 0.978 264 S CA -0.018 58.126 58.200 -0.093 0.000 0.934 264 S CB -0.265 62.913 63.200 -0.037 0.000 0.766 264 S HN 0.069 nan 8.310 nan 0.000 0.533 265 L N 2.876 123.979 121.223 -0.200 0.000 2.371 265 L HA 0.527 4.867 4.340 0.001 0.000 0.272 265 L C -2.265 174.544 176.870 -0.102 0.000 1.124 265 L CA -2.185 52.545 54.840 -0.183 0.000 0.816 265 L CB 0.087 41.977 42.059 -0.281 0.000 1.129 265 L HN 0.054 nan 8.230 nan 0.000 0.448 266 P HA 0.084 nan 4.420 nan 0.000 0.271 266 P C -0.507 176.771 177.300 -0.037 0.000 1.216 266 P CA -0.175 62.902 63.100 -0.039 0.000 0.771 266 P CB 0.259 31.934 31.700 -0.042 0.000 0.864 267 H N 3.544 122.566 119.070 -0.081 0.000 2.897 267 H HA 0.145 4.702 4.556 0.001 0.000 0.347 267 H C -0.610 174.671 175.328 -0.077 0.000 1.068 267 H CA 0.293 56.289 56.048 -0.086 0.000 1.426 267 H CB 0.599 30.316 29.762 -0.075 0.000 1.410 267 H HN 0.373 nan 8.280 nan 0.000 0.597 268 K N 4.174 124.087 120.400 -0.812 0.000 2.498 268 K HA 0.322 4.642 4.320 0.001 0.000 0.254 268 K C -0.643 175.546 176.600 -0.685 0.000 0.933 268 K CA -1.000 54.892 56.287 -0.657 0.000 0.806 268 K CB 1.857 34.174 32.500 -0.305 0.000 1.301 268 K HN 0.581 nan 8.250 nan 0.000 0.432 269 N N 1.500 119.921 118.700 -0.466 0.000 2.434 269 N HA 0.106 4.847 4.740 0.001 0.000 0.266 269 N C -0.586 174.829 175.510 -0.158 0.000 1.223 269 N CA -0.612 52.313 53.050 -0.209 0.000 0.972 269 N CB 0.766 39.191 38.487 -0.104 0.000 1.207 269 N HN 0.375 nan 8.380 nan 0.000 0.525 270 K N 1.129 121.461 120.400 -0.114 0.000 2.412 270 K HA 0.108 4.429 4.320 0.001 0.000 0.281 270 K C -0.858 175.629 176.600 -0.189 0.000 1.027 270 K CA -0.165 56.032 56.287 -0.151 0.000 0.989 270 K CB 0.518 32.940 32.500 -0.130 0.000 0.935 270 K HN 0.237 nan 8.250 nan 0.000 0.475 271 V N 7.801 127.564 119.914 -0.251 0.000 2.368 271 V HA 0.130 4.251 4.120 0.001 0.000 0.266 271 V C -2.067 173.808 176.094 -0.365 0.000 1.045 271 V CA -1.919 60.228 62.300 -0.255 0.000 0.899 271 V CB 0.805 32.488 31.823 -0.234 0.000 1.006 271 V HN 0.735 nan 8.190 nan 0.000 0.470 272 P HA -0.031 nan 4.420 nan 0.000 0.263 272 P C 0.227 177.438 177.300 -0.150 0.000 1.175 272 P CA 0.413 63.390 63.100 -0.204 0.000 0.761 272 P CB 0.408 32.061 31.700 -0.078 0.000 0.794 273 W N 2.311 123.647 121.300 0.059 0.000 2.354 273 W HA -0.208 4.453 4.660 0.001 0.000 0.315 273 W C 2.267 178.861 176.519 0.125 0.000 1.206 273 W CA 1.087 58.508 57.345 0.127 0.000 1.290 273 W CB -0.939 28.596 29.460 0.124 0.000 1.152 273 W HN 0.416 nan 8.180 nan 0.000 0.489 274 N N 2.014 120.903 118.700 0.314 0.000 2.513 274 N HA -0.217 4.523 4.740 0.001 0.000 0.187 274 N C 1.440 177.013 175.510 0.106 0.000 1.056 274 N CA 1.799 54.967 53.050 0.196 0.000 0.907 274 N CB -0.774 37.794 38.487 0.135 0.000 0.954 274 N HN 0.363 nan 8.380 nan 0.000 0.445 275 R N -0.186 120.346 120.500 0.053 0.000 2.223 275 R HA 0.270 4.611 4.340 0.001 0.000 0.198 275 R C 1.937 178.169 176.300 -0.113 0.000 0.984 275 R CA 0.194 56.276 56.100 -0.029 0.000 1.018 275 R CB -0.235 30.033 30.300 -0.054 0.000 0.945 275 R HN 0.186 nan 8.270 nan 0.000 0.479 276 L N -0.407 120.719 121.223 -0.162 0.000 2.202 276 L HA 0.280 4.621 4.340 0.001 0.000 0.205 276 L C -0.127 176.243 176.870 -0.834 0.000 1.083 276 L CA 0.441 54.959 54.840 -0.537 0.000 0.790 276 L CB 0.335 42.026 42.059 -0.614 0.000 0.942 276 L HN 0.115 nan 8.230 nan 0.000 0.452 277 F N -0.464 119.531 119.950 0.075 0.000 2.686 277 F HA 0.317 4.845 4.527 0.001 0.000 0.365 277 F C -1.636 174.186 175.800 0.037 0.000 1.196 277 F CA -2.095 55.929 58.000 0.039 0.000 1.198 277 F CB 0.208 39.219 39.000 0.018 0.000 1.454 277 F HN -0.196 nan 8.300 nan 0.000 0.539 278 P HA -0.205 nan 4.420 nan 0.000 0.208 278 P C 0.062 177.418 177.300 0.093 0.000 1.189 278 P CA 1.629 64.780 63.100 0.084 0.000 0.931 278 P CB -0.026 31.701 31.700 0.045 0.000 0.783 279 N N 0.018 118.772 118.700 0.090 0.000 3.254 279 N HA 0.368 5.109 4.740 0.001 0.000 0.308 279 N C -0.476 175.085 175.510 0.086 0.000 1.281 279 N CA -0.497 52.601 53.050 0.081 0.000 1.212 279 N CB -0.210 38.322 38.487 0.076 0.000 1.478 279 N HN 0.138 nan 8.380 nan 0.000 0.548 280 A N 0.271 123.144 122.820 0.088 0.000 2.386 280 A HA 0.331 4.652 4.320 0.001 0.000 0.311 280 A C -0.528 177.079 177.584 0.039 0.000 1.068 280 A CA -0.868 51.204 52.037 0.059 0.000 0.743 280 A CB 1.013 20.052 19.000 0.064 0.000 1.258 280 A HN 0.414 nan 8.150 nan 0.000 0.429 281 D N 1.509 121.926 120.400 0.029 0.000 2.629 281 D HA -0.059 4.582 4.640 0.001 0.000 0.228 281 D C 1.627 177.928 176.300 0.002 0.000 1.127 281 D CA 1.183 55.212 54.000 0.049 0.000 0.855 281 D CB 0.979 41.856 40.800 0.129 0.000 1.180 281 D HN 0.592 nan 8.370 nan 0.000 0.484 282 S N 3.906 119.631 115.700 0.042 0.000 2.371 282 S HA -0.121 4.350 4.470 0.001 0.000 0.224 282 S C 1.607 176.223 174.600 0.027 0.000 1.029 282 S CA 0.792 59.016 58.200 0.039 0.000 0.978 282 S CB 0.006 63.243 63.200 0.060 0.000 0.833 282 S HN 0.517 nan 8.310 nan 0.000 0.466 283 K N 1.288 121.737 120.400 0.082 0.000 2.097 283 K HA 0.080 4.401 4.320 0.001 0.000 0.205 283 K C 2.552 179.118 176.600 -0.056 0.000 1.050 283 K CA 1.087 57.474 56.287 0.165 0.000 0.938 283 K CB -0.535 32.164 32.500 0.331 0.000 0.718 283 K HN 0.519 nan 8.250 nan 0.000 0.442 284 A N 1.695 124.235 122.820 -0.466 0.000 1.877 284 A HA -0.146 4.175 4.320 0.001 0.000 0.216 284 A C 2.122 179.317 177.584 -0.648 0.000 1.186 284 A CA 1.287 52.638 52.037 -1.144 0.000 0.620 284 A CB -0.716 17.583 19.000 -1.168 0.000 0.822 284 A HN 0.169 nan 8.150 nan 0.000 0.443 285 L N -0.710 120.271 121.223 -0.404 0.000 2.191 285 L HA -0.201 4.140 4.340 0.001 0.000 0.212 285 L C 2.237 178.909 176.870 -0.330 0.000 1.103 285 L CA 1.699 56.319 54.840 -0.368 0.000 0.769 285 L CB -0.538 41.450 42.059 -0.118 0.000 0.908 285 L HN 0.510 nan 8.230 nan 0.000 0.438 286 D N -0.125 120.166 120.400 -0.180 0.000 2.149 286 D HA -0.182 4.458 4.640 0.001 0.000 0.201 286 D C 2.032 178.207 176.300 -0.208 0.000 0.972 286 D CA 0.526 54.493 54.000 -0.055 0.000 0.835 286 D CB 0.222 41.110 40.800 0.146 0.000 0.966 286 D HN 0.101 nan 8.370 nan 0.000 0.476 287 L N 0.197 121.110 121.223 -0.518 0.000 2.072 287 L HA 0.078 4.419 4.340 0.001 0.000 0.205 287 L C 1.918 178.500 176.870 -0.479 0.000 1.079 287 L CA 1.214 55.626 54.840 -0.713 0.000 0.752 287 L CB -0.962 40.566 42.059 -0.884 0.000 0.906 287 L HN 0.197 nan 8.230 nan 0.000 0.436 288 L N -0.083 120.799 121.223 -0.568 0.000 2.079 288 L HA -0.232 4.109 4.340 0.001 0.000 0.210 288 L C 2.105 178.596 176.870 -0.633 0.000 1.081 288 L CA 2.248 56.684 54.840 -0.674 0.000 0.752 288 L CB -0.887 40.608 42.059 -0.940 0.000 0.896 288 L HN 0.485 nan 8.230 nan 0.000 0.433 289 D N -0.629 119.463 120.400 -0.514 0.000 2.084 289 D HA -0.219 4.422 4.640 0.001 0.000 0.194 289 D C 2.103 178.413 176.300 0.016 0.000 0.990 289 D CA 1.631 55.570 54.000 -0.101 0.000 0.826 289 D CB -0.004 40.877 40.800 0.135 0.000 0.971 289 D HN 0.336 nan 8.370 nan 0.000 0.453 290 K N -0.618 119.758 120.400 -0.039 0.000 2.147 290 K HA -0.110 4.210 4.320 0.001 0.000 0.205 290 K C 2.290 178.893 176.600 0.005 0.000 1.049 290 K CA 0.980 57.277 56.287 0.016 0.000 0.936 290 K CB -0.122 32.381 32.500 0.004 0.000 0.722 290 K HN 0.296 nan 8.250 nan 0.000 0.446 291 M N 0.434 119.978 119.600 -0.093 0.000 2.123 291 M HA -0.075 4.405 4.480 0.001 0.000 0.263 291 M C 0.914 177.162 176.300 -0.086 0.000 1.069 291 M CA 1.195 56.435 55.300 -0.099 0.000 1.133 291 M CB 0.122 32.596 32.600 -0.210 0.000 1.356 291 M HN 0.025 nan 8.290 nan 0.000 0.415 292 L N 1.082 122.204 121.223 -0.168 0.000 2.796 292 L HA 0.147 4.488 4.340 0.001 0.000 0.235 292 L C -0.362 176.681 176.870 0.289 0.000 1.344 292 L CA -0.320 54.383 54.840 -0.228 0.000 1.245 292 L CB -0.851 41.050 42.059 -0.262 0.000 1.556 292 L HN 0.028 nan 8.230 nan 0.000 0.423 293 T N -0.255 114.524 114.554 0.375 0.000 2.767 293 T HA 0.099 4.450 4.350 0.001 0.000 0.288 293 T C 0.779 175.752 174.700 0.456 0.000 0.963 293 T CA -0.351 61.979 62.100 0.383 0.000 1.019 293 T CB 1.327 70.345 68.868 0.250 0.000 0.923 293 T HN 0.239 nan 8.240 nan 0.000 0.468 294 F N 4.141 124.257 119.950 0.276 0.000 2.065 294 F HA -0.096 4.432 4.527 0.002 0.000 0.298 294 F C 1.297 177.118 175.800 0.035 0.000 1.112 294 F CA 1.219 59.298 58.000 0.130 0.000 1.212 294 F CB -0.044 39.005 39.000 0.081 0.000 0.975 294 F HN 0.564 nan 8.300 nan 0.000 0.476 295 N N 1.529 120.367 118.700 0.230 0.000 2.416 295 N HA 0.046 4.787 4.740 0.001 0.000 0.265 295 N C -1.786 173.686 175.510 -0.063 0.000 1.195 295 N CA -1.181 51.912 53.050 0.071 0.000 0.943 295 N CB 0.935 39.547 38.487 0.208 0.000 1.115 295 N HN -0.015 nan 8.380 nan 0.000 0.481 296 P HA -0.192 nan 4.420 nan 0.000 0.217 296 P C 0.153 177.353 177.300 -0.165 0.000 1.148 296 P CA 1.637 64.583 63.100 -0.257 0.000 0.828 296 P CB 0.018 31.484 31.700 -0.391 0.000 0.783 297 H N -0.021 119.078 119.070 0.050 0.000 2.428 297 H HA 0.052 4.609 4.556 0.001 0.000 0.296 297 H C 1.885 177.256 175.328 0.072 0.000 1.062 297 H CA 0.983 57.066 56.048 0.058 0.000 1.350 297 H CB -0.287 29.507 29.762 0.054 0.000 1.403 297 H HN 0.204 nan 8.280 nan 0.000 0.533 298 K N 0.673 121.181 120.400 0.180 0.000 2.361 298 K HA 0.062 4.382 4.320 0.001 0.000 0.196 298 K C 0.691 177.370 176.600 0.131 0.000 1.039 298 K CA -0.208 56.170 56.287 0.152 0.000 1.001 298 K CB 0.443 33.036 32.500 0.156 0.000 0.795 298 K HN 0.078 nan 8.250 nan 0.000 0.495 299 R N 2.109 122.684 120.500 0.124 0.000 2.585 299 R HA 0.038 4.379 4.340 0.001 0.000 0.275 299 R C 0.107 176.469 176.300 0.104 0.000 1.018 299 R CA -0.008 56.166 56.100 0.123 0.000 1.072 299 R CB 0.196 30.575 30.300 0.132 0.000 0.953 299 R HN 0.122 nan 8.270 nan 0.000 0.419 300 I N 2.906 123.528 120.570 0.087 0.000 2.892 300 I HA -0.080 4.090 4.170 0.001 0.000 0.287 300 I C 0.254 176.417 176.117 0.076 0.000 1.205 300 I CA 0.625 61.969 61.300 0.072 0.000 1.409 300 I CB 0.474 38.502 38.000 0.046 0.000 1.367 300 I HN 0.659 nan 8.210 nan 0.000 0.597 301 E N 4.374 124.620 120.200 0.076 0.000 2.250 301 E HA 0.099 4.449 4.350 0.001 0.000 0.265 301 E C 0.616 177.261 176.600 0.075 0.000 1.033 301 E CA -0.569 55.886 56.400 0.091 0.000 0.888 301 E CB 2.054 31.809 29.700 0.093 0.000 1.151 301 E HN 0.587 nan 8.360 nan 0.000 0.412 302 V N 2.214 122.186 119.914 0.097 0.000 2.250 302 V HA -0.334 3.787 4.120 0.001 0.000 0.250 302 V C 1.681 177.793 176.094 0.031 0.000 1.060 302 V CA 2.341 64.668 62.300 0.044 0.000 1.030 302 V CB -0.287 31.551 31.823 0.025 0.000 0.643 302 V HN 0.680 nan 8.190 nan 0.000 0.445 303 E N -1.080 119.155 120.200 0.058 0.000 2.150 303 E HA -0.271 4.080 4.350 0.001 0.000 0.193 303 E C 2.267 178.881 176.600 0.023 0.000 0.985 303 E CA 1.351 57.788 56.400 0.062 0.000 0.814 303 E CB -0.117 29.638 29.700 0.091 0.000 0.752 303 E HN 0.690 nan 8.360 nan 0.000 0.466 304 Q N 0.023 119.842 119.800 0.031 0.000 2.079 304 Q HA -0.140 4.200 4.340 0.001 0.000 0.200 304 Q C 2.164 178.165 176.000 0.002 0.000 0.974 304 Q CA 1.355 57.170 55.803 0.021 0.000 0.840 304 Q CB -0.078 28.690 28.738 0.049 0.000 0.898 304 Q HN 0.263 nan 8.270 nan 0.000 0.430 305 A N 0.295 123.119 122.820 0.007 0.000 1.933 305 A HA -0.151 4.169 4.320 0.001 0.000 0.218 305 A C 1.962 179.544 177.584 -0.004 0.000 1.175 305 A CA 0.967 53.006 52.037 0.003 0.000 0.628 305 A CB -0.579 18.408 19.000 -0.022 0.000 0.814 305 A HN 0.370 nan 8.150 nan 0.000 0.444 306 L N -0.942 120.249 121.223 -0.053 0.000 2.141 306 L HA -0.132 4.209 4.340 0.001 0.000 0.209 306 L C 2.589 179.205 176.870 -0.424 0.000 1.094 306 L CA 0.948 55.743 54.840 -0.075 0.000 0.763 306 L CB -0.234 41.834 42.059 0.016 0.000 0.908 306 L HN 0.411 nan 8.230 nan 0.000 0.437 307 A N -2.227 120.216 122.820 -0.627 0.000 2.302 307 A HA -0.040 4.280 4.320 0.001 0.000 0.219 307 A C 0.685 178.096 177.584 -0.288 0.000 1.243 307 A CA -0.150 51.323 52.037 -0.940 0.000 0.856 307 A CB -0.787 17.857 19.000 -0.595 0.000 0.893 307 A HN 0.299 nan 8.150 nan 0.000 0.491 308 H N 0.535 119.498 119.070 -0.178 0.000 2.683 308 H HA 0.148 4.705 4.556 0.001 0.000 0.339 308 H C -1.750 173.592 175.328 0.022 0.000 1.081 308 H CA -1.471 54.558 56.048 -0.032 0.000 1.432 308 H CB 1.355 31.133 29.762 0.026 0.000 1.462 308 H HN 0.018 nan 8.280 nan 0.000 0.557 309 P HA -0.238 nan 4.420 nan 0.000 0.218 309 P C 1.135 178.507 177.300 0.121 0.000 1.150 309 P CA 1.266 64.321 63.100 -0.074 0.000 0.841 309 P CB -0.228 31.371 31.700 -0.169 0.000 0.784 310 Y N 0.013 120.461 120.300 0.247 0.000 2.274 310 Y HA -0.093 4.457 4.550 0.001 0.000 0.290 310 Y C 1.598 177.599 175.900 0.169 0.000 1.145 310 Y CA 1.353 59.588 58.100 0.226 0.000 1.203 310 Y CB -0.665 37.947 38.460 0.254 0.000 0.984 310 Y HN -0.124 nan 8.280 nan 0.000 0.533 311 L N 0.090 121.364 121.223 0.084 0.000 2.818 311 L HA 0.131 4.472 4.340 0.001 0.000 0.243 311 L C 1.896 178.816 176.870 0.084 0.000 1.185 311 L CA 0.117 55.003 54.840 0.077 0.000 0.988 311 L CB -0.211 42.004 42.059 0.260 0.000 1.292 311 L HN 0.158 nan 8.230 nan 0.000 0.519 312 E N 1.696 121.909 120.200 0.023 0.000 2.130 312 E HA -0.309 4.042 4.350 0.001 0.000 0.196 312 E C 1.848 178.402 176.600 -0.076 0.000 0.998 312 E CA 1.896 58.312 56.400 0.025 0.000 0.806 312 E CB 0.152 29.848 29.700 -0.007 0.000 0.738 312 E HN 0.739 nan 8.360 nan 0.000 0.459 313 Q N -1.456 118.194 119.800 -0.250 0.000 2.488 313 Q HA -0.144 4.197 4.340 0.001 0.000 0.211 313 Q C 0.681 176.283 176.000 -0.663 0.000 0.967 313 Q CA 1.150 56.668 55.803 -0.474 0.000 0.926 313 Q CB -0.020 28.322 28.738 -0.660 0.000 0.992 313 Q HN 0.397 nan 8.270 nan 0.000 0.506 314 Y N -1.768 118.368 120.300 -0.274 0.000 2.512 314 Y HA 0.163 4.714 4.550 0.001 0.000 0.268 314 Y C 0.126 175.842 175.900 -0.306 0.000 1.102 314 Y CA -1.133 56.642 58.100 -0.543 0.000 1.261 314 Y CB 0.144 37.800 38.460 -1.340 0.000 1.250 314 Y HN 0.077 nan 8.280 nan 0.000 0.506 315 Y N 3.534 123.820 120.300 -0.023 0.000 2.802 315 Y HA 0.150 4.700 4.550 0.001 0.000 0.333 315 Y C -0.315 175.648 175.900 0.105 0.000 1.244 315 Y CA -0.012 58.180 58.100 0.154 0.000 1.558 315 Y CB -0.087 38.450 38.460 0.129 0.000 1.233 315 Y HN 0.161 nan 8.280 nan 0.000 0.547 316 D N 8.351 128.686 120.400 -0.108 0.000 2.362 316 D HA 0.221 4.861 4.640 0.001 0.000 0.232 316 D C -2.480 173.745 176.300 -0.126 0.000 1.329 316 D CA -1.637 52.237 54.000 -0.210 0.000 0.944 316 D CB 1.385 42.164 40.800 -0.035 0.000 1.471 316 D HN 0.214 nan 8.370 nan 0.000 0.533 317 P HA -0.138 nan 4.420 nan 0.000 0.217 317 P C 1.280 178.586 177.300 0.010 0.000 1.148 317 P CA 1.152 64.223 63.100 -0.048 0.000 0.828 317 P CB 0.171 31.831 31.700 -0.067 0.000 0.783 318 S N -1.974 113.712 115.700 -0.023 0.000 2.522 318 S HA -0.062 4.409 4.470 0.001 0.000 0.227 318 S C 1.313 175.928 174.600 0.024 0.000 0.986 318 S CA 0.818 59.020 58.200 0.003 0.000 0.929 318 S CB -0.707 62.485 63.200 -0.014 0.000 0.769 318 S HN 0.029 nan 8.310 nan 0.000 0.529 319 D N 1.297 121.723 120.400 0.043 0.000 2.538 319 D HA 0.190 4.831 4.640 0.001 0.000 0.231 319 D C -0.523 175.845 176.300 0.112 0.000 1.229 319 D CA -0.154 53.887 54.000 0.068 0.000 0.828 319 D CB 0.168 41.015 40.800 0.079 0.000 1.035 319 D HN 0.476 nan 8.370 nan 0.000 0.495 320 E N 1.146 121.419 120.200 0.122 0.000 3.108 320 E HA 0.261 4.612 4.350 0.001 0.000 0.228 320 E C -2.452 174.249 176.600 0.168 0.000 1.176 320 E CA -1.840 54.657 56.400 0.162 0.000 0.881 320 E CB 1.428 31.241 29.700 0.189 0.000 1.354 320 E HN 0.158 nan 8.360 nan 0.000 0.400 321 P HA -0.013 nan 4.420 nan 0.000 0.267 321 P C -0.325 177.175 177.300 0.333 0.000 1.201 321 P CA 0.288 63.520 63.100 0.220 0.000 0.775 321 P CB 0.456 32.255 31.700 0.167 0.000 0.854 322 I N -2.039 118.659 120.570 0.212 0.000 2.785 322 I HA 0.803 4.974 4.170 0.001 0.000 0.302 322 I C -0.353 175.669 176.117 -0.158 0.000 1.069 322 I CA -1.785 59.526 61.300 0.018 0.000 1.045 322 I CB 2.187 40.178 38.000 -0.015 0.000 1.236 322 I HN 0.223 nan 8.210 nan 0.000 0.429 323 A N 2.828 125.274 122.820 -0.623 0.000 2.466 323 A HA 0.202 4.523 4.320 0.001 0.000 0.238 323 A C 0.799 178.261 177.584 -0.203 0.000 1.074 323 A CA -0.029 51.646 52.037 -0.604 0.000 0.774 323 A CB 0.059 18.616 19.000 -0.739 0.000 1.015 323 A HN 0.886 nan 8.150 nan 0.000 0.498 324 E N 0.290 120.431 120.200 -0.097 0.000 2.204 324 E HA 0.253 4.603 4.350 0.001 0.000 0.194 324 E C 0.507 177.066 176.600 -0.069 0.000 0.989 324 E CA 1.592 57.964 56.400 -0.047 0.000 0.824 324 E CB -0.088 29.605 29.700 -0.012 0.000 0.756 324 E HN 0.924 nan 8.360 nan 0.000 0.477 325 A N -0.148 122.614 122.820 -0.097 0.000 2.582 325 A HA 0.495 4.816 4.320 0.001 0.000 0.297 325 A C -2.800 174.721 177.584 -0.105 0.000 1.059 325 A CA -1.471 50.508 52.037 -0.096 0.000 0.705 325 A CB 0.418 19.361 19.000 -0.096 0.000 1.279 325 A HN -0.142 nan 8.150 nan 0.000 0.404 326 P HA 0.294 nan 4.420 nan 0.000 0.269 326 P C -0.795 176.475 177.300 -0.051 0.000 1.205 326 P CA 0.356 63.437 63.100 -0.031 0.000 0.780 326 P CB 0.158 31.839 31.700 -0.031 0.000 0.858 327 F N 1.604 121.507 119.950 -0.078 0.000 2.470 327 F HA 0.599 5.127 4.527 0.001 0.000 0.329 327 F C 0.422 176.052 175.800 -0.284 0.000 1.072 327 F CA -0.277 57.625 58.000 -0.164 0.000 0.989 327 F CB 1.732 40.628 39.000 -0.174 0.000 1.193 327 F HN 0.099 nan 8.300 nan 0.000 0.481 328 K N 2.897 123.332 120.400 0.060 0.000 2.561 328 K HA 0.430 4.751 4.320 0.001 0.000 0.254 328 K C -1.984 174.564 176.600 -0.086 0.000 0.942 328 K CA -0.449 55.766 56.287 -0.120 0.000 0.818 328 K CB 1.266 33.737 32.500 -0.048 0.000 1.306 328 K HN 0.300 nan 8.250 nan 0.000 0.435 329 F N 2.590 122.625 119.950 0.142 0.000 2.404 329 F HA 0.214 4.742 4.527 0.001 0.000 0.354 329 F C 0.603 176.441 175.800 0.063 0.000 1.122 329 F CA -1.112 56.948 58.000 0.100 0.000 1.080 329 F CB 1.148 40.175 39.000 0.044 0.000 1.131 329 F HN 0.441 nan 8.300 nan 0.000 0.471 330 D N 4.851 125.394 120.400 0.238 0.000 2.629 330 D HA -0.059 4.581 4.640 0.001 0.000 0.259 330 D C 1.244 177.615 176.300 0.118 0.000 1.305 330 D CA 0.626 54.709 54.000 0.139 0.000 0.937 330 D CB -0.120 40.745 40.800 0.107 0.000 1.055 330 D HN 0.640 nan 8.370 nan 0.000 0.471 331 M N -2.145 117.538 119.600 0.137 0.000 2.102 331 M HA 0.101 4.582 4.480 0.001 0.000 0.199 331 M C -0.417 175.936 176.300 0.088 0.000 1.558 331 M CA -0.258 55.097 55.300 0.091 0.000 0.982 331 M CB 0.302 32.942 32.600 0.067 0.000 1.521 331 M HN -0.328 nan 8.290 nan 0.000 0.571 332 E N 4.270 124.545 120.200 0.125 0.000 0.843 332 E HA -0.189 4.162 4.350 0.001 0.000 0.347 332 E C 0.019 176.659 176.600 0.067 0.000 1.156 332 E CA 0.777 57.238 56.400 0.102 0.000 1.297 332 E CB -0.320 29.430 29.700 0.083 0.000 0.467 332 E HN 0.645 nan 8.360 nan 0.000 0.352 333 L N 1.063 122.324 121.223 0.065 0.000 1.078 333 L HA -0.135 4.206 4.340 0.001 0.000 0.501 333 L C 0.699 177.598 176.870 0.049 0.000 0.789 333 L CA 1.293 56.169 54.840 0.060 0.000 2.033 333 L CB -0.890 41.196 42.059 0.045 0.000 1.267 333 L HN 0.688 nan 8.230 nan 0.000 0.434 334 D N -0.294 120.130 120.400 0.040 0.000 4.059 334 D HA -0.211 4.430 4.640 0.001 0.000 0.203 334 D C 0.233 176.532 176.300 -0.003 0.000 1.123 334 D CA 1.864 55.871 54.000 0.012 0.000 2.357 334 D CB -0.965 39.843 40.800 0.014 0.000 1.180 334 D HN 0.420 nan 8.370 nan 0.000 0.422 335 D N 2.600 123.001 120.400 0.000 0.000 3.167 335 D HA 0.255 4.896 4.640 0.001 0.000 0.232 335 D C 0.280 176.578 176.300 -0.004 0.000 1.231 335 D CA 0.943 54.939 54.000 -0.007 0.000 0.845 335 D CB 0.026 40.825 40.800 -0.001 0.000 1.157 335 D HN 0.249 nan 8.370 nan 0.000 0.576 336 L N 3.370 124.586 121.223 -0.012 0.000 2.751 336 L HA 0.210 4.551 4.340 0.001 0.000 0.261 336 L C -2.599 174.266 176.870 -0.009 0.000 0.927 336 L CA -1.642 53.195 54.840 -0.005 0.000 0.968 336 L CB 2.448 44.507 42.059 -0.001 0.000 1.432 336 L HN 0.095 nan 8.230 nan 0.000 0.439 337 P HA -0.055 nan 4.420 nan 0.000 0.264 337 P C 0.306 177.611 177.300 0.009 0.000 1.173 337 P CA 0.299 63.398 63.100 -0.002 0.000 0.761 337 P CB 0.621 32.322 31.700 0.002 0.000 0.794 338 K N 2.439 122.844 120.400 0.008 0.000 2.211 338 K HA -0.227 4.094 4.320 0.001 0.000 0.204 338 K C 1.162 177.800 176.600 0.063 0.000 1.047 338 K CA 1.694 58.000 56.287 0.033 0.000 0.935 338 K CB 0.083 32.598 32.500 0.024 0.000 0.728 338 K HN 0.380 nan 8.250 nan 0.000 0.452 339 E N 0.670 120.892 120.200 0.036 0.000 2.008 339 E HA -0.135 4.216 4.350 0.001 0.000 0.191 339 E C 1.889 178.510 176.600 0.034 0.000 0.986 339 E CA 0.967 57.382 56.400 0.026 0.000 0.807 339 E CB -0.175 29.526 29.700 0.002 0.000 0.766 339 E HN 0.115 nan 8.360 nan 0.000 0.450 340 K N 0.953 121.370 120.400 0.028 0.000 2.052 340 K HA -0.230 4.091 4.320 0.001 0.000 0.215 340 K C 2.149 178.786 176.600 0.061 0.000 1.053 340 K CA 1.551 57.859 56.287 0.035 0.000 0.934 340 K CB -0.484 32.033 32.500 0.029 0.000 0.717 340 K HN 0.121 nan 8.250 nan 0.000 0.450 341 L N 0.726 121.988 121.223 0.066 0.000 2.021 341 L HA -0.264 4.076 4.340 0.001 0.000 0.215 341 L C 2.741 179.703 176.870 0.154 0.000 1.074 341 L CA 1.927 56.819 54.840 0.086 0.000 0.760 341 L CB -0.534 41.566 42.059 0.068 0.000 0.889 341 L HN 0.304 nan 8.230 nan 0.000 0.433 342 K N 0.462 120.976 120.400 0.190 0.000 2.147 342 K HA -0.246 4.074 4.320 0.001 0.000 0.205 342 K C 2.074 178.763 176.600 0.149 0.000 1.049 342 K CA 1.727 58.163 56.287 0.249 0.000 0.936 342 K CB -0.026 32.544 32.500 0.116 0.000 0.722 342 K HN 0.473 nan 8.250 nan 0.000 0.446 343 E N 0.217 120.473 120.200 0.093 0.000 2.072 343 E HA -0.192 4.159 4.350 0.001 0.000 0.190 343 E C 1.839 178.548 176.600 0.182 0.000 0.982 343 E CA 0.761 57.220 56.400 0.098 0.000 0.803 343 E CB -0.054 29.672 29.700 0.043 0.000 0.755 343 E HN 0.157 nan 8.360 nan 0.000 0.453 344 L N 1.251 122.560 121.223 0.142 0.000 2.046 344 L HA -0.094 4.247 4.340 0.001 0.000 0.208 344 L C 2.518 179.480 176.870 0.153 0.000 1.077 344 L CA 1.356 56.275 54.840 0.131 0.000 0.747 344 L CB -0.944 41.172 42.059 0.094 0.000 0.896 344 L HN 0.319 nan 8.230 nan 0.000 0.432 345 I N -1.501 119.180 120.570 0.184 0.000 2.226 345 I HA -0.361 3.809 4.170 0.001 0.000 0.245 345 I C 2.465 178.713 176.117 0.219 0.000 1.100 345 I CA 1.113 62.532 61.300 0.199 0.000 1.374 345 I CB -0.298 37.877 38.000 0.291 0.000 1.057 345 I HN 0.132 nan 8.210 nan 0.000 0.413 346 F N 2.115 122.121 119.950 0.093 0.000 2.095 346 F HA -0.289 4.238 4.527 -0.000 0.000 0.298 346 F C 2.635 178.475 175.800 0.066 0.000 1.104 346 F CA 2.203 60.239 58.000 0.060 0.000 1.232 346 F CB -0.325 38.682 39.000 0.012 0.000 0.987 346 F HN 0.197 nan 8.300 nan 0.000 0.475 347 E N -0.534 119.734 120.200 0.114 0.000 2.158 347 E HA -0.172 4.179 4.350 0.001 0.000 0.191 347 E C 1.677 178.275 176.600 -0.004 0.000 0.982 347 E CA 1.134 57.538 56.400 0.006 0.000 0.823 347 E CB -0.581 29.182 29.700 0.106 0.000 0.766 347 E HN 0.416 nan 8.360 nan 0.000 0.468 348 E N 0.867 121.097 120.200 0.050 0.000 2.268 348 E HA -0.092 4.259 4.350 0.001 0.000 0.195 348 E C 1.779 178.431 176.600 0.086 0.000 0.995 348 E CA 1.662 58.105 56.400 0.071 0.000 0.836 348 E CB 0.119 29.872 29.700 0.088 0.000 0.763 348 E HN 0.534 nan 8.360 nan 0.000 0.491 349 T N -2.897 111.685 114.554 0.046 0.000 3.069 349 T HA 0.420 4.770 4.350 0.001 0.000 0.252 349 T C 1.788 176.522 174.700 0.056 0.000 1.053 349 T CA 0.405 62.566 62.100 0.101 0.000 0.964 349 T CB 0.522 69.414 68.868 0.041 0.000 1.005 349 T HN 0.053 nan 8.240 nan 0.000 0.532 350 A N 3.451 126.222 122.820 -0.081 0.000 1.933 350 A HA -0.134 4.187 4.320 0.001 0.000 0.218 350 A C 2.529 180.073 177.584 -0.067 0.000 1.175 350 A CA 1.464 53.413 52.037 -0.147 0.000 0.628 350 A CB -0.688 18.210 19.000 -0.171 0.000 0.814 350 A HN 0.701 nan 8.150 nan 0.000 0.444 351 R N -1.528 118.930 120.500 -0.071 0.000 2.170 351 R HA -0.125 4.215 4.340 0.001 0.000 0.242 351 R C 0.882 177.002 176.300 -0.301 0.000 1.145 351 R CA 1.805 57.776 56.100 -0.216 0.000 0.984 351 R CB -0.711 29.383 30.300 -0.343 0.000 0.869 351 R HN 0.447 nan 8.270 nan 0.000 0.455 352 F N 1.309 121.240 119.950 -0.032 0.000 2.732 352 F HA 0.233 4.761 4.527 0.001 0.000 0.303 352 F C 0.536 176.326 175.800 -0.017 0.000 1.110 352 F CA -0.048 57.945 58.000 -0.011 0.000 1.355 352 F CB 0.245 39.249 39.000 0.007 0.000 1.081 352 F HN -0.103 nan 8.300 nan 0.000 0.565 353 Q N 0.864 120.710 119.800 0.077 0.000 2.325 353 Q HA 0.280 4.621 4.340 0.001 0.000 0.262 353 Q C -1.561 174.445 176.000 0.010 0.000 0.968 353 Q CA -1.497 54.328 55.803 0.037 0.000 0.877 353 Q CB 1.462 30.193 28.738 -0.012 0.000 1.253 353 Q HN 0.142 nan 8.270 nan 0.000 0.448 354 P HA 0.182 nan 4.420 nan 0.000 0.202 354 P C -0.066 177.238 177.300 0.007 0.000 1.027 354 P CA 0.157 63.262 63.100 0.009 0.000 0.791 354 P CB 0.178 31.886 31.700 0.014 0.000 0.612 355 G N 0.000 108.808 108.800 0.013 0.000 5.446 355 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 355 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 355 G CA 0.000 45.109 45.100 0.015 0.000 0.502 355 G HN 0.000 nan 8.290 nan 0.000 0.925