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 1c2p_1_A DATA FIRST_RESID 1 DATA SEQUENCE HHSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNXVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE XKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIXA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKXALYDVVS TLPQVVXGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPXGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTXLVNGDDL VVICESAGVQ EDAASLRAFT EAXTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIXYAPTLW ARXILXTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS 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 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.213 175.328 -0.191 0.000 0.993 1 H CA 0.000 55.928 56.048 -0.200 0.000 1.023 1 H CB 0.000 29.677 29.762 -0.141 0.000 1.292 2 H N 0.252 119.322 119.070 0.000 0.000 2.652 2 H HA 0.104 4.659 4.556 -0.001 0.000 0.349 2 H C 1.269 176.497 175.328 -0.165 0.000 1.099 2 H CA 0.322 56.340 56.048 -0.051 0.000 1.417 2 H CB 1.406 31.149 29.762 -0.032 0.000 1.457 2 H HN 0.372 nan 8.280 nan 0.000 0.568 3 S N 2.302 117.908 115.700 -0.157 0.000 2.382 3 S HA -0.137 4.333 4.470 -0.001 0.000 0.228 3 S C -0.041 174.161 174.600 -0.663 0.000 1.027 3 S CA 1.053 58.985 58.200 -0.447 0.000 0.991 3 S CB -0.016 62.819 63.200 -0.608 0.000 0.823 3 S HN 0.531 nan 8.310 nan 0.000 0.469 4 Y N 0.431 120.604 120.300 -0.213 0.000 2.597 4 Y HA 0.555 5.105 4.550 -0.001 0.000 0.340 4 Y C -0.234 175.363 175.900 -0.505 0.000 1.097 4 Y CA -0.949 56.879 58.100 -0.453 0.000 1.037 4 Y CB 1.832 39.818 38.460 -0.790 0.000 1.305 4 Y HN 0.116 nan 8.280 nan 0.000 0.463 5 T N -2.429 111.849 114.554 -0.461 0.000 2.893 5 T HA 0.695 5.044 4.350 -0.001 0.000 0.293 5 T C -1.443 172.961 174.700 -0.493 0.000 1.027 5 T CA -0.822 61.083 62.100 -0.326 0.000 0.988 5 T CB 1.150 69.964 68.868 -0.091 0.000 1.043 5 T HN 0.539 nan 8.240 nan 0.000 0.461 6 W N 0.998 122.344 121.300 0.077 0.000 2.761 6 W HA 0.494 5.153 4.660 -0.001 0.000 0.340 6 W C 1.447 177.989 176.519 0.038 0.000 1.072 6 W CA -0.764 56.611 57.345 0.051 0.000 1.215 6 W CB 2.139 31.609 29.460 0.017 0.000 1.420 6 W HN 0.910 nan 8.180 nan 0.000 0.519 7 T N -2.405 112.323 114.554 0.290 0.000 3.044 7 T HA 0.320 4.669 4.350 -0.001 0.000 0.255 7 T C 1.416 176.197 174.700 0.134 0.000 1.073 7 T CA 1.011 63.210 62.100 0.165 0.000 1.125 7 T CB 0.041 68.985 68.868 0.127 0.000 0.908 7 T HN 1.162 nan 8.240 nan 0.000 0.480 8 G N 1.206 110.093 108.800 0.144 0.000 2.284 8 G HA2 0.093 4.053 3.960 -0.001 0.000 0.201 8 G HA3 0.093 4.053 3.960 -0.001 0.000 0.201 8 G C 0.358 175.280 174.900 0.037 0.000 0.998 8 G CA -0.142 44.998 45.100 0.068 0.000 0.651 8 G HN 1.037 nan 8.290 nan 0.000 0.489 9 A N 1.036 123.891 122.820 0.060 0.000 2.483 9 A HA 0.634 4.954 4.320 -0.001 0.000 0.238 9 A C 0.796 178.387 177.584 0.011 0.000 1.070 9 A CA 0.215 52.275 52.037 0.037 0.000 0.770 9 A CB 0.157 19.188 19.000 0.052 0.000 1.008 9 A HN 0.863 nan 8.150 nan 0.000 0.497 10 L N 1.794 123.012 121.223 -0.009 0.000 2.436 10 L HA 0.272 4.611 4.340 -0.001 0.000 0.265 10 L C 0.071 176.925 176.870 -0.027 0.000 1.168 10 L CA -0.214 54.604 54.840 -0.036 0.000 0.815 10 L CB 0.594 42.635 42.059 -0.031 0.000 1.109 10 L HN 0.547 nan 8.230 nan 0.000 0.462 11 I N 1.692 122.230 120.570 -0.053 0.000 2.337 11 I HA 0.118 4.288 4.170 -0.001 0.000 0.291 11 I C 0.474 176.581 176.117 -0.016 0.000 1.046 11 I CA -0.097 61.185 61.300 -0.030 0.000 1.324 11 I CB 0.999 38.965 38.000 -0.058 0.000 1.409 11 I HN 0.662 nan 8.210 nan 0.000 0.494 12 T N 4.814 119.369 114.554 0.001 0.000 2.925 12 T HA 0.585 4.935 4.350 -0.001 0.000 0.285 12 T C -2.347 172.365 174.700 0.020 0.000 1.021 12 T CA -1.900 60.204 62.100 0.007 0.000 1.042 12 T CB 1.726 70.598 68.868 0.007 0.000 1.037 12 T HN 0.303 nan 8.240 nan 0.000 0.481 13 P HA 0.274 nan 4.420 nan 0.000 0.276 13 P C 0.019 177.339 177.300 0.032 0.000 1.252 13 P CA -0.654 62.465 63.100 0.031 0.000 0.802 13 P CB 1.094 32.813 31.700 0.031 0.000 1.035 14 C N 0.365 119.688 119.300 0.039 0.000 2.906 14 C HA 0.671 5.130 4.460 -0.001 0.000 0.274 14 C C 0.621 175.629 174.990 0.030 0.000 1.257 14 C CA 0.683 59.722 59.018 0.036 0.000 1.695 14 C CB -1.596 26.172 27.740 0.047 0.000 1.958 14 C HN 0.762 nan 8.230 nan 0.000 0.619 15 A N -0.289 122.550 122.820 0.032 0.000 2.410 15 A HA 0.670 4.989 4.320 -0.001 0.000 0.300 15 A C -0.810 176.797 177.584 0.038 0.000 1.077 15 A CA 0.136 52.192 52.037 0.032 0.000 0.610 15 A CB -0.489 18.531 19.000 0.033 0.000 1.371 15 A HN 1.015 nan 8.150 nan 0.000 0.510 16 A N -0.037 122.808 122.820 0.041 0.000 2.462 16 A HA 0.542 4.861 4.320 -0.001 0.000 0.243 16 A C -0.003 177.620 177.584 0.065 0.000 1.076 16 A CA 0.445 52.511 52.037 0.049 0.000 0.773 16 A CB -0.272 18.756 19.000 0.047 0.000 1.010 16 A HN 0.589 nan 8.150 nan 0.000 0.493 17 E N 1.248 121.492 120.200 0.073 0.000 2.199 17 E HA 0.381 4.731 4.350 -0.001 0.000 0.269 17 E C -1.045 175.632 176.600 0.127 0.000 0.899 17 E CA -0.488 55.969 56.400 0.095 0.000 0.772 17 E CB 1.920 31.666 29.700 0.078 0.000 1.155 17 E HN 0.739 nan 8.360 nan 0.000 0.408 18 E N 0.894 121.211 120.200 0.194 0.000 2.179 18 E HA 0.176 4.525 4.350 -0.001 0.000 0.275 18 E C 0.057 176.868 176.600 0.353 0.000 0.945 18 E CA -0.220 56.336 56.400 0.261 0.000 0.792 18 E CB 1.542 31.440 29.700 0.331 0.000 1.125 18 E HN 0.562 nan 8.360 nan 0.000 0.397 19 S N 1.795 117.682 115.700 0.311 0.000 2.524 19 S HA 0.044 4.514 4.470 -0.001 0.000 0.222 19 S C 0.292 175.156 174.600 0.441 0.000 1.040 19 S CA -0.339 58.066 58.200 0.342 0.000 0.915 19 S CB 0.007 63.344 63.200 0.228 0.000 0.831 19 S HN 0.245 nan 8.310 nan 0.000 0.492 20 K N 2.143 122.736 120.400 0.322 0.000 2.143 20 K HA 0.601 4.920 4.320 -0.001 0.000 0.272 20 K C -0.704 175.944 176.600 0.080 0.000 1.001 20 K CA -0.968 55.457 56.287 0.231 0.000 0.915 20 K CB 0.328 32.899 32.500 0.118 0.000 1.047 20 K HN 0.111 nan 8.250 nan 0.000 0.458 21 L N 3.719 124.980 121.223 0.062 0.000 2.660 21 L HA 0.119 4.459 4.340 -0.001 0.000 0.272 21 L C -2.341 174.259 176.870 -0.451 0.000 1.194 21 L CA -1.028 53.648 54.840 -0.274 0.000 0.945 21 L CB -0.547 41.490 42.059 -0.037 0.000 1.212 21 L HN 0.582 nan 8.230 nan 0.000 0.490 22 P HA 0.228 nan 4.420 nan 0.000 0.271 22 P C -0.985 176.069 177.300 -0.409 0.000 1.216 22 P CA -0.098 62.695 63.100 -0.510 0.000 0.776 22 P CB 0.629 31.962 31.700 -0.613 0.000 0.881 23 I N 3.038 123.434 120.570 -0.289 0.000 2.465 23 I HA 0.352 4.521 4.170 -0.001 0.000 0.291 23 I C 0.336 176.349 176.117 -0.174 0.000 1.014 23 I CA -0.678 60.462 61.300 -0.266 0.000 1.093 23 I CB 1.450 39.299 38.000 -0.252 0.000 1.267 23 I HN 0.481 nan 8.210 nan 0.000 0.431 24 N N 4.531 123.143 118.700 -0.148 0.000 3.201 24 N HA 0.467 5.206 4.740 -0.001 0.000 0.344 24 N C 0.461 175.933 175.510 -0.063 0.000 1.465 24 N CA -0.410 52.583 53.050 -0.096 0.000 0.731 24 N CB 0.634 39.063 38.487 -0.097 0.000 1.677 24 N HN 0.382 nan 8.380 nan 0.000 0.631 25 A N -0.581 122.212 122.820 -0.044 0.000 2.121 25 A HA 0.132 4.452 4.320 -0.001 0.000 0.218 25 A C 1.857 179.429 177.584 -0.019 0.000 1.154 25 A CA 0.802 52.823 52.037 -0.026 0.000 0.679 25 A CB -0.893 18.093 19.000 -0.024 0.000 0.795 25 A HN 0.547 nan 8.150 nan 0.000 0.458 26 L N -1.070 120.139 121.223 -0.025 0.000 2.416 26 L HA -0.016 4.323 4.340 -0.001 0.000 0.216 26 L C 2.537 179.434 176.870 0.046 0.000 1.098 26 L CA 0.608 55.448 54.840 0.000 0.000 0.840 26 L CB -0.367 41.672 42.059 -0.032 0.000 0.981 26 L HN 0.240 nan 8.230 nan 0.000 0.462 27 S N 0.936 116.637 115.700 0.000 0.000 2.369 27 S HA -0.223 4.247 4.470 -0.001 0.000 0.225 27 S C 1.684 176.329 174.600 0.075 0.000 1.043 27 S CA 1.935 60.130 58.200 -0.009 0.000 1.074 27 S CB -0.457 62.656 63.200 -0.145 0.000 0.962 27 S HN 0.474 nan 8.310 nan 0.000 0.433 28 N N 1.435 120.200 118.700 0.108 0.000 2.348 28 N HA -0.065 4.674 4.740 -0.001 0.000 0.185 28 N C 1.851 177.406 175.510 0.075 0.000 1.019 28 N CA 1.211 54.341 53.050 0.134 0.000 0.880 28 N CB -0.556 37.995 38.487 0.108 0.000 0.965 28 N HN 0.641 nan 8.380 nan 0.000 0.437 29 S N -0.479 115.264 115.700 0.072 0.000 2.453 29 S HA -0.028 4.442 4.470 -0.001 0.000 0.231 29 S C 1.769 176.442 174.600 0.122 0.000 1.005 29 S CA 0.385 58.616 58.200 0.051 0.000 0.949 29 S CB -0.118 63.124 63.200 0.069 0.000 0.774 29 S HN 0.237 nan 8.310 nan 0.000 0.510 30 L N -0.233 121.075 121.223 0.142 0.000 2.349 30 L HA 0.603 4.942 4.340 -0.001 0.000 0.200 30 L C 0.092 177.031 176.870 0.115 0.000 1.064 30 L CA 0.757 55.676 54.840 0.132 0.000 0.821 30 L CB 0.248 42.138 42.059 -0.281 0.000 1.027 30 L HN 0.470 nan 8.230 nan 0.000 0.476 31 L N -0.804 120.475 121.223 0.093 0.000 2.493 31 L HA 0.403 4.743 4.340 -0.001 0.000 0.265 31 L C 0.361 177.329 176.870 0.163 0.000 0.954 31 L CA -0.355 54.544 54.840 0.098 0.000 0.844 31 L CB 1.690 43.813 42.059 0.106 0.000 1.302 31 L HN 0.010 nan 8.230 nan 0.000 0.405 32 R N 1.169 121.666 120.500 -0.005 0.000 2.225 32 R HA 0.187 4.527 4.340 -0.001 0.000 0.194 32 R C 0.037 176.218 176.300 -0.198 0.000 0.957 32 R CA 0.147 56.166 56.100 -0.135 0.000 1.042 32 R CB 0.222 30.456 30.300 -0.111 0.000 1.004 32 R HN 0.625 nan 8.270 nan 0.000 0.509 33 H N 0.780 119.803 119.070 -0.080 0.000 2.799 33 H HA 0.093 4.648 4.556 -0.001 0.000 0.225 33 H C 0.387 175.752 175.328 0.060 0.000 1.904 33 H CA -0.321 55.696 56.048 -0.052 0.000 1.344 33 H CB -0.047 29.720 29.762 0.009 0.000 1.744 33 H HN 0.358 nan 8.280 nan 0.000 0.542 34 H N -0.132 119.031 119.070 0.156 0.000 2.457 34 H HA -0.128 4.427 4.556 -0.001 0.000 0.297 34 H C 0.884 176.288 175.328 0.126 0.000 1.092 34 H CA -0.000 56.115 56.048 0.112 0.000 1.309 34 H CB 0.274 30.077 29.762 0.068 0.000 1.382 34 H HN 0.466 nan 8.280 nan 0.000 0.535 38 Y N 1.546 122.006 120.300 0.267 0.000 2.656 38 Y HA 0.967 5.516 4.550 -0.001 0.000 0.334 38 Y C -0.625 175.354 175.900 0.131 0.000 1.179 38 Y CA -0.835 57.427 58.100 0.270 0.000 1.050 38 Y CB 1.463 40.037 38.460 0.189 0.000 1.308 38 Y HN 1.068 nan 8.280 nan 0.000 0.456 39 A N 1.434 124.303 122.820 0.081 0.000 2.350 39 A HA 0.703 5.023 4.320 -0.001 0.000 0.324 39 A C -0.194 177.464 177.584 0.124 0.000 1.118 39 A CA -0.384 51.508 52.037 -0.241 0.000 0.783 39 A CB 0.642 19.265 19.000 -0.628 0.000 1.236 39 A HN 1.153 nan 8.150 nan 0.000 0.457 40 T N 0.012 114.633 114.554 0.111 0.000 2.913 40 T HA 0.583 4.932 4.350 -0.001 0.000 0.297 40 T C 0.368 175.127 174.700 0.099 0.000 1.029 40 T CA 0.371 62.591 62.100 0.200 0.000 1.104 40 T CB 0.860 69.855 68.868 0.212 0.000 0.964 40 T HN 1.500 nan 8.240 nan 0.000 0.532 41 T N -1.867 112.746 114.554 0.098 0.000 2.838 41 T HA 0.473 4.822 4.350 -0.001 0.000 0.292 41 T C 1.408 176.136 174.700 0.046 0.000 1.113 41 T CA -0.200 61.940 62.100 0.066 0.000 1.008 41 T CB 1.225 70.138 68.868 0.075 0.000 1.259 41 T HN 0.779 nan 8.240 nan 0.000 0.520 42 S N 0.159 115.879 115.700 0.033 0.000 2.465 42 S HA -0.134 4.335 4.470 -0.001 0.000 0.241 42 S C 1.740 176.339 174.600 -0.001 0.000 1.000 42 S CA 0.547 58.754 58.200 0.012 0.000 0.964 42 S CB -0.735 62.472 63.200 0.011 0.000 0.763 42 S HN 0.730 nan 8.310 nan 0.000 0.512 43 R N 1.445 121.952 120.500 0.011 0.000 2.241 43 R HA -0.021 4.318 4.340 -0.001 0.000 0.224 43 R C 1.909 178.202 176.300 -0.013 0.000 1.101 43 R CA 1.374 57.474 56.100 0.001 0.000 0.995 43 R CB -0.404 29.905 30.300 0.014 0.000 0.870 43 R HN 0.743 nan 8.270 nan 0.000 0.463 44 S N -1.327 114.368 115.700 -0.008 0.000 2.578 44 S HA 0.267 4.737 4.470 -0.001 0.000 0.231 44 S C 1.673 176.246 174.600 -0.045 0.000 0.994 44 S CA 0.067 58.254 58.200 -0.022 0.000 0.956 44 S CB 1.034 64.233 63.200 -0.002 0.000 0.870 44 S HN 0.236 nan 8.310 nan 0.000 0.494 45 A N 2.055 124.840 122.820 -0.058 0.000 1.978 45 A HA 0.142 4.461 4.320 -0.001 0.000 0.220 45 A C 2.221 179.701 177.584 -0.173 0.000 1.170 45 A CA 1.665 53.642 52.037 -0.100 0.000 0.636 45 A CB -1.627 17.311 19.000 -0.102 0.000 0.810 45 A HN 0.666 nan 8.150 nan 0.000 0.448 46 G N -0.194 108.508 108.800 -0.164 0.000 2.446 46 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.217 46 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.217 46 G C 1.552 176.351 174.900 -0.168 0.000 1.168 46 G CA 1.046 46.024 45.100 -0.203 0.000 0.771 46 G HN 0.447 nan 8.290 nan 0.000 0.551 47 L N -0.239 120.921 121.223 -0.104 0.000 2.046 47 L HA -0.057 4.282 4.340 -0.001 0.000 0.208 47 L C 2.948 179.783 176.870 -0.058 0.000 1.077 47 L CA 1.270 56.069 54.840 -0.068 0.000 0.747 47 L CB -0.271 41.761 42.059 -0.046 0.000 0.896 47 L HN 0.164 nan 8.230 nan 0.000 0.432 48 R N 0.404 120.864 120.500 -0.067 0.000 2.081 48 R HA -0.174 4.165 4.340 -0.001 0.000 0.235 48 R C 2.201 178.468 176.300 -0.055 0.000 1.131 48 R CA 1.612 57.690 56.100 -0.037 0.000 0.960 48 R CB -0.482 29.798 30.300 -0.033 0.000 0.856 48 R HN 0.357 nan 8.270 nan 0.000 0.436 49 Q N 0.011 119.698 119.800 -0.188 0.000 2.112 49 Q HA -0.205 4.134 4.340 -0.001 0.000 0.206 49 Q C 1.987 177.956 176.000 -0.052 0.000 0.987 49 Q CA 2.193 57.821 55.803 -0.292 0.000 0.858 49 Q CB -0.112 28.145 28.738 -0.802 0.000 0.905 49 Q HN 0.346 nan 8.270 nan 0.000 0.420 50 K N 0.418 120.789 120.400 -0.047 0.000 2.097 50 K HA -0.101 4.218 4.320 -0.001 0.000 0.205 50 K C 1.968 178.648 176.600 0.133 0.000 1.050 50 K CA 0.971 57.286 56.287 0.047 0.000 0.938 50 K CB 0.086 32.591 32.500 0.007 0.000 0.718 50 K HN 0.094 nan 8.250 nan 0.000 0.442 51 K N 0.563 121.035 120.400 0.119 0.000 2.062 51 K HA -0.080 4.239 4.320 -0.001 0.000 0.205 51 K C 1.967 178.767 176.600 0.334 0.000 1.051 51 K CA 1.507 57.899 56.287 0.175 0.000 0.941 51 K CB -0.022 32.550 32.500 0.119 0.000 0.719 51 K HN 0.118 nan 8.250 nan 0.000 0.440 52 V N -1.072 119.030 119.914 0.313 0.000 3.623 52 V HA 0.048 4.168 4.120 -0.001 0.000 0.271 52 V C 0.402 176.697 176.094 0.335 0.000 1.248 52 V CA 0.296 62.833 62.300 0.394 0.000 1.156 52 V CB -0.229 31.788 31.823 0.323 0.000 0.870 52 V HN -0.032 nan 8.190 nan 0.000 0.453 53 T N 4.283 119.069 114.554 0.388 0.000 2.753 53 T HA 0.714 5.063 4.350 -0.001 0.000 0.297 53 T C -0.746 174.148 174.700 0.323 0.000 0.981 53 T CA -0.038 62.253 62.100 0.318 0.000 0.956 53 T CB 0.208 69.344 68.868 0.447 0.000 0.936 53 T HN 0.637 nan 8.240 nan 0.000 0.463 54 F N -0.000 120.072 119.950 0.203 0.000 2.817 54 F HA 0.671 5.197 4.527 -0.001 0.000 0.317 54 F C -1.253 174.717 175.800 0.283 0.000 1.168 54 F CA -1.699 56.415 58.000 0.189 0.000 0.911 54 F CB 0.773 39.858 39.000 0.142 0.000 1.337 54 F HN 0.215 nan 8.300 nan 0.000 0.464 55 D N 0.608 121.362 120.400 0.589 0.000 2.210 55 D HA 0.531 5.171 4.640 -0.001 0.000 0.249 55 D C -0.911 175.585 176.300 0.327 0.000 1.078 55 D CA -0.087 54.145 54.000 0.388 0.000 0.875 55 D CB 0.975 41.935 40.800 0.267 0.000 1.175 55 D HN 0.567 nan 8.370 nan 0.000 0.440 56 R N 2.275 122.884 120.500 0.181 0.000 2.532 56 R HA 0.682 5.022 4.340 -0.001 0.000 0.295 56 R C -1.040 175.255 176.300 -0.009 0.000 0.968 56 R CA -0.744 55.429 56.100 0.122 0.000 0.916 56 R CB 1.045 31.378 30.300 0.056 0.000 1.124 56 R HN 0.320 nan 8.270 nan 0.000 0.463 57 L N 1.548 122.756 121.223 -0.025 0.000 2.408 57 L HA 0.487 4.826 4.340 -0.001 0.000 0.268 57 L C -0.913 175.903 176.870 -0.091 0.000 0.986 57 L CA -0.309 54.477 54.840 -0.090 0.000 0.820 57 L CB 2.115 44.151 42.059 -0.039 0.000 1.303 57 L HN 0.574 nan 8.230 nan 0.000 0.411 58 Q N 1.943 121.664 119.800 -0.132 0.000 2.347 58 Q HA 0.700 5.040 4.340 -0.001 0.000 0.271 58 Q C -1.576 174.358 176.000 -0.110 0.000 1.064 58 Q CA -0.668 55.067 55.803 -0.112 0.000 0.800 58 Q CB 3.301 31.950 28.738 -0.149 0.000 1.304 58 Q HN 0.355 nan 8.270 nan 0.000 0.438 59 V N 4.426 124.294 119.914 -0.077 0.000 2.325 59 V HA 0.361 4.481 4.120 -0.001 0.000 0.280 59 V C -0.629 175.447 176.094 -0.030 0.000 1.016 59 V CA -0.510 61.751 62.300 -0.066 0.000 0.818 59 V CB 1.110 32.894 31.823 -0.066 0.000 1.019 59 V HN 0.618 nan 8.190 nan 0.000 0.434 60 L N 5.646 126.810 121.223 -0.099 0.000 2.257 60 L HA 0.551 4.891 4.340 -0.001 0.000 0.290 60 L C 0.148 177.024 176.870 0.010 0.000 1.044 60 L CA -0.505 54.239 54.840 -0.160 0.000 0.810 60 L CB 1.170 42.982 42.059 -0.413 0.000 1.193 60 L HN 0.666 nan 8.230 nan 0.000 0.425 61 D N 0.826 121.313 120.400 0.146 0.000 2.564 61 D HA 0.102 4.742 4.640 -0.001 0.000 0.273 61 D C 0.370 176.741 176.300 0.119 0.000 1.192 61 D CA -0.601 53.469 54.000 0.117 0.000 1.080 61 D CB 0.807 41.677 40.800 0.117 0.000 1.160 61 D HN 0.307 nan 8.370 nan 0.000 0.607 62 D N -1.341 119.068 120.400 0.014 0.000 2.144 62 D HA -0.144 4.496 4.640 -0.001 0.000 0.200 62 D C 1.759 178.070 176.300 0.018 0.000 0.978 62 D CA 1.016 55.001 54.000 -0.024 0.000 0.833 62 D CB -0.066 40.667 40.800 -0.112 0.000 0.961 62 D HN 0.406 nan 8.370 nan 0.000 0.470 63 H N -0.224 118.909 119.070 0.106 0.000 2.353 63 H HA -0.154 4.402 4.556 -0.001 0.000 0.300 63 H C 1.995 177.362 175.328 0.064 0.000 1.090 63 H CA 0.908 57.010 56.048 0.090 0.000 1.327 63 H CB -0.642 29.199 29.762 0.132 0.000 1.383 63 H HN 0.328 nan 8.280 nan 0.000 0.508 64 Y N 1.873 122.219 120.300 0.076 0.000 2.114 64 Y HA -0.212 4.338 4.550 -0.000 0.000 0.284 64 Y C 2.676 178.530 175.900 -0.077 0.000 1.143 64 Y CA 1.616 59.639 58.100 -0.129 0.000 1.135 64 Y CB -0.070 38.221 38.460 -0.281 0.000 0.980 64 Y HN -0.051 nan 8.280 nan 0.000 0.499 65 R N 0.046 120.598 120.500 0.087 0.000 2.115 65 R HA -0.141 4.199 4.340 -0.001 0.000 0.230 65 R C 1.752 178.021 176.300 -0.053 0.000 1.111 65 R CA 1.364 57.459 56.100 -0.008 0.000 0.976 65 R CB -0.289 30.047 30.300 0.061 0.000 0.870 65 R HN 0.415 nan 8.270 nan 0.000 0.445 66 D N 0.140 120.535 120.400 -0.010 0.000 2.084 66 D HA -0.124 4.516 4.640 -0.001 0.000 0.194 66 D C 1.995 178.277 176.300 -0.030 0.000 0.990 66 D CA 1.108 55.108 54.000 -0.001 0.000 0.826 66 D CB -0.263 40.566 40.800 0.050 0.000 0.971 66 D HN -0.029 nan 8.370 nan 0.000 0.453 67 V N 1.215 121.095 119.914 -0.056 0.000 2.287 67 V HA -0.225 3.895 4.120 -0.001 0.000 0.248 67 V C 2.529 178.559 176.094 -0.107 0.000 1.053 67 V CA 1.186 63.439 62.300 -0.079 0.000 1.027 67 V CB -0.531 31.215 31.823 -0.127 0.000 0.646 67 V HN 0.139 nan 8.190 nan 0.000 0.447 68 L N 0.449 121.544 121.223 -0.213 0.000 2.079 68 L HA -0.207 4.132 4.340 -0.001 0.000 0.210 68 L C 2.400 179.204 176.870 -0.111 0.000 1.081 68 L CA 2.234 56.947 54.840 -0.212 0.000 0.752 68 L CB -0.786 41.073 42.059 -0.333 0.000 0.896 68 L HN 0.278 nan 8.230 nan 0.000 0.433 69 K N -0.452 119.899 120.400 -0.081 0.000 2.097 69 K HA -0.117 4.202 4.320 -0.001 0.000 0.205 69 K C 0.781 177.363 176.600 -0.030 0.000 1.050 69 K CA 0.716 56.975 56.287 -0.046 0.000 0.938 69 K CB -0.029 32.453 32.500 -0.030 0.000 0.718 69 K HN 0.499 nan 8.250 nan 0.000 0.442 73 A N 2.375 125.183 122.820 -0.020 0.000 1.908 73 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 73 A C 1.897 179.472 177.584 -0.015 0.000 1.181 73 A CA 1.762 53.791 52.037 -0.013 0.000 0.627 73 A CB -0.334 18.661 19.000 -0.008 0.000 0.818 73 A HN 0.202 nan 8.150 nan 0.000 0.445 74 K N -0.580 119.808 120.400 -0.021 0.000 2.062 74 K HA 0.033 4.352 4.320 -0.001 0.000 0.205 74 K C 2.299 178.878 176.600 -0.035 0.000 1.051 74 K CA 0.958 57.228 56.287 -0.029 0.000 0.941 74 K CB -0.307 32.170 32.500 -0.039 0.000 0.719 74 K HN 0.421 nan 8.250 nan 0.000 0.440 75 A N 1.214 124.011 122.820 -0.038 0.000 2.019 75 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 75 A C 2.062 179.636 177.584 -0.016 0.000 1.164 75 A CA 1.622 53.641 52.037 -0.031 0.000 0.644 75 A CB -0.443 18.543 19.000 -0.024 0.000 0.805 75 A HN 0.159 nan 8.150 nan 0.000 0.449 76 S N -0.319 115.373 115.700 -0.013 0.000 2.507 76 S HA -0.099 4.371 4.470 -0.001 0.000 0.235 76 S C 1.902 176.498 174.600 -0.006 0.000 0.988 76 S CA 1.554 59.750 58.200 -0.006 0.000 0.944 76 S CB -0.470 62.727 63.200 -0.006 0.000 0.762 76 S HN 0.913 nan 8.310 nan 0.000 0.526 77 T N -0.956 113.591 114.554 -0.012 0.000 3.100 77 T HA 0.195 4.544 4.350 -0.001 0.000 0.253 77 T C 0.536 175.228 174.700 -0.013 0.000 1.118 77 T CA -0.111 61.982 62.100 -0.011 0.000 1.058 77 T CB -0.274 68.586 68.868 -0.014 0.000 0.953 77 T HN 0.026 nan 8.240 nan 0.000 0.515 78 V N 1.928 121.832 119.914 -0.015 0.000 2.583 78 V HA 0.378 4.498 4.120 -0.001 0.000 0.287 78 V C 0.123 176.214 176.094 -0.005 0.000 1.051 78 V CA -0.704 61.586 62.300 -0.017 0.000 1.010 78 V CB 1.143 32.950 31.823 -0.025 0.000 0.988 78 V HN 0.392 nan 8.190 nan 0.000 0.478 79 K N 3.474 123.871 120.400 -0.004 0.000 2.358 79 K HA 0.753 5.072 4.320 -0.001 0.000 0.260 79 K C -0.694 175.908 176.600 0.004 0.000 0.956 79 K CA -0.383 55.906 56.287 0.004 0.000 0.834 79 K CB 1.508 34.011 32.500 0.006 0.000 1.102 79 K HN 0.848 nan 8.250 nan 0.000 0.431 80 A N 3.679 126.505 122.820 0.011 0.000 2.380 80 A HA 0.667 4.986 4.320 -0.001 0.000 0.315 80 A C -1.278 176.322 177.584 0.027 0.000 1.101 80 A CA -0.799 51.246 52.037 0.013 0.000 0.771 80 A CB 1.408 20.411 19.000 0.004 0.000 1.287 80 A HN 0.628 nan 8.150 nan 0.000 0.436 81 K N 0.085 120.504 120.400 0.033 0.000 2.221 81 K HA 0.687 5.006 4.320 -0.001 0.000 0.243 81 K C -0.982 175.648 176.600 0.050 0.000 0.968 81 K CA -0.644 55.666 56.287 0.039 0.000 0.846 81 K CB 1.284 33.804 32.500 0.032 0.000 1.141 81 K HN 0.492 nan 8.250 nan 0.000 0.434 82 L N 2.351 123.600 121.223 0.044 0.000 2.350 82 L HA 0.382 4.721 4.340 -0.001 0.000 0.275 82 L C -0.956 175.908 176.870 -0.009 0.000 1.099 82 L CA -0.458 54.402 54.840 0.034 0.000 0.808 82 L CB 0.683 42.762 42.059 0.033 0.000 1.149 82 L HN 0.457 nan 8.230 nan 0.000 0.442 83 L N 2.816 124.018 121.223 -0.035 0.000 2.350 83 L HA 0.408 4.748 4.340 -0.001 0.000 0.275 83 L C 0.573 177.355 176.870 -0.146 0.000 1.099 83 L CA 0.283 55.083 54.840 -0.066 0.000 0.808 83 L CB 1.354 43.375 42.059 -0.063 0.000 1.149 83 L HN 0.850 nan 8.230 nan 0.000 0.442 84 S N 2.036 117.660 115.700 -0.126 0.000 2.606 84 S HA 0.170 4.639 4.470 -0.001 0.000 0.257 84 S C 1.294 175.778 174.600 -0.194 0.000 1.327 84 S CA -0.530 57.580 58.200 -0.151 0.000 0.984 84 S CB 0.615 63.755 63.200 -0.100 0.000 0.941 84 S HN 0.340 nan 8.310 nan 0.000 0.576 85 V N 2.064 121.855 119.914 -0.206 0.000 2.343 85 V HA -0.151 3.968 4.120 -0.001 0.000 0.247 85 V C 2.865 178.848 176.094 -0.185 0.000 1.051 85 V CA 2.077 64.232 62.300 -0.242 0.000 1.036 85 V CB -1.269 30.371 31.823 -0.305 0.000 0.654 85 V HN 0.968 nan 8.190 nan 0.000 0.451 86 E N 0.811 120.926 120.200 -0.141 0.000 2.051 86 E HA -0.282 4.068 4.350 -0.001 0.000 0.192 86 E C 1.915 178.444 176.600 -0.118 0.000 0.991 86 E CA 1.660 57.990 56.400 -0.116 0.000 0.799 86 E CB -0.512 29.137 29.700 -0.085 0.000 0.748 86 E HN 0.722 nan 8.360 nan 0.000 0.449 87 E N 1.299 121.427 120.200 -0.119 0.000 2.077 87 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 87 E C 2.169 178.661 176.600 -0.180 0.000 0.989 87 E CA 1.223 57.546 56.400 -0.128 0.000 0.800 87 E CB -0.188 29.447 29.700 -0.108 0.000 0.746 87 E HN 0.390 nan 8.360 nan 0.000 0.452 88 A N 0.805 123.514 122.820 -0.186 0.000 1.930 88 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 88 A C 2.418 179.893 177.584 -0.183 0.000 1.175 88 A CA 1.005 52.919 52.037 -0.206 0.000 0.627 88 A CB -0.769 18.126 19.000 -0.174 0.000 0.815 88 A HN 0.349 nan 8.150 nan 0.000 0.443 89 C N -0.344 118.862 119.300 -0.155 0.000 2.413 89 C HA -0.098 4.361 4.460 -0.001 0.000 0.276 89 C C 2.653 177.562 174.990 -0.134 0.000 1.248 89 C CA 1.367 60.306 59.018 -0.131 0.000 1.742 89 C CB -1.093 26.573 27.740 -0.123 0.000 2.017 89 C HN 0.620 nan 8.230 nan 0.000 0.481 90 K N 0.623 120.943 120.400 -0.133 0.000 2.209 90 K HA -0.056 4.263 4.320 -0.001 0.000 0.204 90 K C 1.524 178.047 176.600 -0.129 0.000 1.048 90 K CA 1.015 57.236 56.287 -0.110 0.000 0.940 90 K CB -0.219 32.228 32.500 -0.088 0.000 0.729 90 K HN 0.507 nan 8.250 nan 0.000 0.451 91 L N 0.994 122.087 121.223 -0.217 0.000 2.552 91 L HA -0.015 4.324 4.340 -0.001 0.000 0.227 91 L C 0.342 177.069 176.870 -0.239 0.000 1.146 91 L CA 0.242 54.893 54.840 -0.315 0.000 0.858 91 L CB -0.215 41.540 42.059 -0.507 0.000 0.969 91 L HN 0.035 nan 8.230 nan 0.000 0.451 92 T N 1.541 115.986 114.554 -0.183 0.000 2.794 92 T HA 0.203 4.552 4.350 -0.001 0.000 0.296 92 T C -2.285 172.268 174.700 -0.245 0.000 0.949 92 T CA -1.100 60.898 62.100 -0.171 0.000 1.101 92 T CB 1.026 69.815 68.868 -0.132 0.000 0.905 92 T HN -0.136 nan 8.240 nan 0.000 0.516 93 P HA 0.137 nan 4.420 nan 0.000 0.268 93 P C -1.901 175.114 177.300 -0.476 0.000 1.204 93 P CA -1.308 61.541 63.100 -0.418 0.000 0.768 93 P CB 0.234 31.821 31.700 -0.188 0.000 0.842 94 P HA -0.154 nan 4.420 nan 0.000 0.218 94 P C 0.158 177.095 177.300 -0.605 0.000 1.146 94 P CA 1.630 64.345 63.100 -0.642 0.000 0.813 94 P CB -0.120 31.120 31.700 -0.766 0.000 0.778 95 H N -2.429 116.522 119.070 -0.200 0.000 2.472 95 H HA 0.299 4.855 4.556 -0.001 0.000 0.287 95 H C 0.324 175.578 175.328 -0.124 0.000 1.112 95 H CA -0.387 55.583 56.048 -0.131 0.000 1.021 95 H CB 0.067 29.768 29.762 -0.102 0.000 1.635 95 H HN -0.043 nan 8.280 nan 0.000 0.559 96 S N 1.218 116.871 115.700 -0.077 0.000 2.576 96 S HA 0.412 4.881 4.470 -0.001 0.000 0.276 96 S C 0.730 175.292 174.600 -0.063 0.000 1.339 96 S CA -0.605 57.543 58.200 -0.087 0.000 1.039 96 S CB 0.272 63.412 63.200 -0.101 0.000 0.902 96 S HN 0.539 nan 8.310 nan 0.000 0.516 97 A N 4.497 127.264 122.820 -0.087 0.000 2.566 97 A HA 0.198 4.517 4.320 -0.001 0.000 0.245 97 A C 0.600 178.173 177.584 -0.019 0.000 1.056 97 A CA 0.032 52.044 52.037 -0.042 0.000 0.757 97 A CB -0.333 18.645 19.000 -0.036 0.000 0.979 97 A HN 0.873 nan 8.150 nan 0.000 0.508 98 K N 2.285 122.666 120.400 -0.033 0.000 2.286 98 K HA 0.320 4.640 4.320 -0.001 0.000 0.256 98 K C 0.402 176.921 176.600 -0.135 0.000 0.999 98 K CA 0.125 56.359 56.287 -0.089 0.000 0.908 98 K CB 0.349 32.794 32.500 -0.090 0.000 0.981 98 K HN 0.458 nan 8.250 nan 0.000 0.500 99 S N 0.001 115.514 115.700 -0.311 0.000 2.592 99 S HA 0.082 4.552 4.470 -0.001 0.000 0.271 99 S C 0.468 174.853 174.600 -0.359 0.000 1.326 99 S CA -0.643 57.339 58.200 -0.363 0.000 1.024 99 S CB 0.660 63.343 63.200 -0.862 0.000 0.921 99 S HN 0.667 nan 8.310 nan 0.000 0.527 100 K N 2.091 122.228 120.400 -0.438 0.000 2.525 100 K HA 0.065 4.385 4.320 -0.001 0.000 0.192 100 K C -0.162 175.935 176.600 -0.838 0.000 1.029 100 K CA 0.707 56.616 56.287 -0.630 0.000 1.029 100 K CB -0.082 31.946 32.500 -0.788 0.000 0.814 100 K HN 0.601 nan 8.250 nan 0.000 0.503 101 F N 0.327 120.111 119.950 -0.277 0.000 2.668 101 F HA 0.258 4.785 4.527 -0.001 0.000 0.297 101 F C 1.098 176.799 175.800 -0.165 0.000 1.124 101 F CA -0.400 57.442 58.000 -0.263 0.000 1.353 101 F CB 0.660 39.369 39.000 -0.484 0.000 0.992 101 F HN 0.069 nan 8.300 nan 0.000 0.524 102 G N 0.503 109.249 108.800 -0.091 0.000 2.142 102 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.225 102 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.225 102 G C -0.390 174.588 174.900 0.131 0.000 1.015 102 G CA 0.073 45.185 45.100 0.021 0.000 0.716 102 G HN 0.575 nan 8.290 nan 0.000 0.508 103 Y N -2.834 117.459 120.300 -0.012 0.000 2.656 103 Y HA 0.751 5.300 4.550 -0.001 0.000 0.334 103 Y C 0.292 176.191 175.900 -0.001 0.000 1.179 103 Y CA -0.963 57.134 58.100 -0.005 0.000 1.050 103 Y CB 0.547 39.009 38.460 0.003 0.000 1.308 103 Y HN 0.781 nan 8.280 nan 0.000 0.456 104 G N -0.137 108.735 108.800 0.120 0.000 3.140 104 G HA2 0.549 4.508 3.960 -0.001 0.000 0.271 104 G HA3 0.549 4.508 3.960 -0.001 0.000 0.271 104 G C 0.169 175.123 174.900 0.090 0.000 1.370 104 G CA -0.755 44.357 45.100 0.021 0.000 1.014 104 G HN 1.237 nan 8.290 nan 0.000 0.541 105 A N -0.554 122.268 122.820 0.005 0.000 1.978 105 A HA -0.019 4.300 4.320 -0.001 0.000 0.220 105 A C 2.152 179.695 177.584 -0.068 0.000 1.170 105 A CA 2.267 54.281 52.037 -0.038 0.000 0.636 105 A CB -0.382 18.554 19.000 -0.107 0.000 0.810 105 A HN 0.512 nan 8.150 nan 0.000 0.448 106 K N -0.057 120.303 120.400 -0.066 0.000 2.097 106 K HA -0.109 4.210 4.320 -0.001 0.000 0.205 106 K C 1.427 178.004 176.600 -0.038 0.000 1.050 106 K CA 1.562 57.802 56.287 -0.078 0.000 0.938 106 K CB -0.076 32.385 32.500 -0.064 0.000 0.718 106 K HN 0.482 nan 8.250 nan 0.000 0.442 107 D N -0.309 120.101 120.400 0.016 0.000 2.144 107 D HA -0.127 4.513 4.640 -0.001 0.000 0.200 107 D C 1.882 178.177 176.300 -0.008 0.000 0.978 107 D CA 0.961 54.976 54.000 0.025 0.000 0.833 107 D CB -0.072 40.789 40.800 0.102 0.000 0.961 107 D HN -0.015 nan 8.370 nan 0.000 0.470 108 V N 1.528 121.459 119.914 0.029 0.000 2.261 108 V HA -0.233 3.886 4.120 -0.001 0.000 0.246 108 V C 2.522 178.576 176.094 -0.067 0.000 1.047 108 V CA 1.576 63.866 62.300 -0.016 0.000 1.015 108 V CB -0.365 31.483 31.823 0.041 0.000 0.642 108 V HN 0.122 nan 8.190 nan 0.000 0.446 109 R N 0.255 120.707 120.500 -0.078 0.000 2.127 109 R HA -0.121 4.219 4.340 -0.001 0.000 0.238 109 R C 1.870 178.120 176.300 -0.082 0.000 1.134 109 R CA 1.375 57.415 56.100 -0.100 0.000 0.975 109 R CB -0.383 29.835 30.300 -0.136 0.000 0.865 109 R HN 0.527 nan 8.270 nan 0.000 0.447 110 N N 0.840 119.498 118.700 -0.070 0.000 2.461 110 N HA 0.035 4.774 4.740 -0.001 0.000 0.188 110 N C 0.241 175.714 175.510 -0.062 0.000 1.134 110 N CA 0.361 53.376 53.050 -0.059 0.000 0.878 110 N CB 0.309 38.767 38.487 -0.048 0.000 0.972 110 N HN 0.158 nan 8.380 nan 0.000 0.456 111 L N 0.890 122.067 121.223 -0.077 0.000 3.717 111 L HA -0.209 4.131 4.340 -0.001 0.000 0.411 111 L C 0.196 177.015 176.870 -0.084 0.000 1.233 111 L CA -0.097 54.689 54.840 -0.090 0.000 0.917 111 L CB -2.732 39.281 42.059 -0.078 0.000 1.902 111 L HN 0.115 nan 8.230 nan 0.000 0.894 112 S N -0.872 114.777 115.700 -0.085 0.000 2.560 112 S HA 0.279 4.748 4.470 -0.001 0.000 0.284 112 S C 1.530 176.073 174.600 -0.096 0.000 1.327 112 S CA -0.070 58.086 58.200 -0.073 0.000 1.055 112 S CB 1.749 64.914 63.200 -0.057 0.000 0.868 112 S HN 0.509 nan 8.310 nan 0.000 0.506 113 S N 3.056 118.717 115.700 -0.064 0.000 2.387 113 S HA -0.270 4.200 4.470 -0.001 0.000 0.230 113 S C 1.693 176.247 174.600 -0.076 0.000 1.035 113 S CA 1.375 59.542 58.200 -0.055 0.000 1.014 113 S CB -0.666 62.519 63.200 -0.026 0.000 0.836 113 S HN 0.881 nan 8.310 nan 0.000 0.466 114 K N 1.764 122.115 120.400 -0.082 0.000 2.026 114 K HA -0.008 4.312 4.320 -0.001 0.000 0.208 114 K C 2.361 178.799 176.600 -0.270 0.000 1.048 114 K CA 1.186 57.416 56.287 -0.095 0.000 0.929 114 K CB -0.645 31.837 32.500 -0.032 0.000 0.713 114 K HN 0.437 nan 8.250 nan 0.000 0.439 115 A N 0.561 123.111 122.820 -0.451 0.000 1.873 115 A HA -0.086 4.233 4.320 -0.001 0.000 0.215 115 A C 2.237 179.514 177.584 -0.512 0.000 1.186 115 A CA 1.517 53.002 52.037 -0.921 0.000 0.616 115 A CB -0.616 17.979 19.000 -0.676 0.000 0.823 115 A HN 0.179 nan 8.150 nan 0.000 0.442 116 V N 1.057 120.788 119.914 -0.306 0.000 2.407 116 V HA -0.239 3.881 4.120 -0.001 0.000 0.248 116 V C 2.270 178.240 176.094 -0.206 0.000 1.055 116 V CA 2.073 64.209 62.300 -0.274 0.000 1.049 116 V CB -0.945 30.765 31.823 -0.189 0.000 0.662 116 V HN 0.543 nan 8.190 nan 0.000 0.455 117 N N -0.586 118.066 118.700 -0.080 0.000 2.142 117 N HA -0.174 4.565 4.740 -0.001 0.000 0.186 117 N C 1.876 177.410 175.510 0.039 0.000 1.023 117 N CA 1.540 54.611 53.050 0.035 0.000 0.852 117 N CB -0.530 37.977 38.487 0.032 0.000 0.998 117 N HN 0.634 nan 8.380 nan 0.000 0.424 118 H N 0.667 119.669 119.070 -0.113 0.000 2.395 118 H HA 0.076 4.631 4.556 -0.001 0.000 0.299 118 H C 2.095 177.397 175.328 -0.044 0.000 1.070 118 H CA 0.796 56.807 56.048 -0.063 0.000 1.356 118 H CB 0.064 29.824 29.762 -0.002 0.000 1.401 118 H HN 0.114 nan 8.280 nan 0.000 0.524 119 I N 0.304 120.782 120.570 -0.155 0.000 2.163 119 I HA -0.325 3.844 4.170 -0.001 0.000 0.243 119 I C 2.315 178.362 176.117 -0.116 0.000 1.085 119 I CA 1.592 62.789 61.300 -0.171 0.000 1.347 119 I CB -0.429 37.434 38.000 -0.228 0.000 1.044 119 I HN 0.370 nan 8.210 nan 0.000 0.408 120 H N -0.242 118.790 119.070 -0.064 0.000 2.421 120 H HA -0.156 4.400 4.556 -0.001 0.000 0.298 120 H C 2.501 177.836 175.328 0.011 0.000 1.087 120 H CA 1.509 57.553 56.048 -0.007 0.000 1.330 120 H CB 0.073 29.819 29.762 -0.027 0.000 1.388 120 H HN 0.404 nan 8.280 nan 0.000 0.526 121 S N -0.115 115.608 115.700 0.038 0.000 2.387 121 S HA -0.098 4.372 4.470 -0.001 0.000 0.226 121 S C 2.229 176.770 174.600 -0.099 0.000 1.026 121 S CA 0.988 59.165 58.200 -0.039 0.000 0.972 121 S CB -0.547 62.605 63.200 -0.079 0.000 0.814 121 S HN 0.137 nan 8.310 nan 0.000 0.477 122 V N 0.829 120.628 119.914 -0.191 0.000 2.358 122 V HA -0.095 4.025 4.120 -0.001 0.000 0.246 122 V C 2.232 178.325 176.094 -0.003 0.000 1.047 122 V CA 1.652 63.856 62.300 -0.160 0.000 1.035 122 V CB -1.020 30.681 31.823 -0.203 0.000 0.658 122 V HN 0.700 nan 8.190 nan 0.000 0.452 123 W N 1.497 122.741 121.300 -0.093 0.000 2.354 123 W HA -0.237 4.423 4.660 -0.001 0.000 0.315 123 W C 2.532 179.031 176.519 -0.033 0.000 1.206 123 W CA 2.313 59.634 57.345 -0.041 0.000 1.290 123 W CB -0.171 29.291 29.460 0.004 0.000 1.152 123 W HN 0.227 nan 8.180 nan 0.000 0.489 124 K N 0.578 121.040 120.400 0.105 0.000 2.063 124 K HA -0.291 4.029 4.320 -0.001 0.000 0.208 124 K C 1.743 178.282 176.600 -0.101 0.000 1.048 124 K CA 2.370 58.654 56.287 -0.007 0.000 0.928 124 K CB -0.621 31.905 32.500 0.042 0.000 0.713 124 K HN 0.041 nan 8.250 nan 0.000 0.442 125 D N 0.129 120.474 120.400 -0.092 0.000 2.144 125 D HA -0.136 4.504 4.640 -0.001 0.000 0.199 125 D C 1.930 178.140 176.300 -0.151 0.000 0.984 125 D CA 0.943 54.880 54.000 -0.106 0.000 0.834 125 D CB 0.066 40.810 40.800 -0.094 0.000 0.955 125 D HN 0.229 nan 8.370 nan 0.000 0.465 126 L N -0.083 121.010 121.223 -0.218 0.000 2.131 126 L HA -0.126 4.214 4.340 -0.001 0.000 0.210 126 L C 2.405 179.091 176.870 -0.307 0.000 1.092 126 L CA 0.595 55.268 54.840 -0.279 0.000 0.759 126 L CB -0.302 41.522 42.059 -0.392 0.000 0.903 126 L HN 0.230 nan 8.230 nan 0.000 0.435 127 L N -0.795 120.216 121.223 -0.352 0.000 2.109 127 L HA -0.132 4.208 4.340 -0.001 0.000 0.207 127 L C 2.495 179.269 176.870 -0.160 0.000 1.086 127 L CA 1.063 55.738 54.840 -0.276 0.000 0.760 127 L CB -0.428 41.470 42.059 -0.268 0.000 0.910 127 L HN 0.308 nan 8.230 nan 0.000 0.437 128 E N -0.786 119.335 120.200 -0.131 0.000 2.230 128 E HA -0.069 4.281 4.350 -0.001 0.000 0.192 128 E C 0.171 176.725 176.600 -0.078 0.000 0.987 128 E CA 0.417 56.765 56.400 -0.087 0.000 0.841 128 E CB 0.169 29.829 29.700 -0.068 0.000 0.783 128 E HN 0.260 nan 8.360 nan 0.000 0.481 129 D N 0.666 121.011 120.400 -0.091 0.000 2.549 129 D HA 0.071 4.711 4.640 -0.001 0.000 0.251 129 D C -0.208 176.041 176.300 -0.085 0.000 1.153 129 D CA -0.323 53.632 54.000 -0.074 0.000 0.861 129 D CB 1.506 42.267 40.800 -0.065 0.000 1.207 129 D HN -0.074 nan 8.370 nan 0.000 0.543 130 T N 0.464 114.976 114.554 -0.069 0.000 3.266 130 T HA 0.279 4.628 4.350 -0.001 0.000 0.278 130 T C 0.824 175.495 174.700 -0.048 0.000 1.010 130 T CA -0.185 61.875 62.100 -0.068 0.000 0.909 130 T CB 0.077 68.908 68.868 -0.062 0.000 1.122 130 T HN 0.124 nan 8.240 nan 0.000 0.536 131 V N -0.186 119.704 119.914 -0.041 0.000 3.159 131 V HA 0.207 4.326 4.120 -0.001 0.000 0.234 131 V C 0.972 177.057 176.094 -0.016 0.000 1.313 131 V CA 0.164 62.449 62.300 -0.025 0.000 1.271 131 V CB 0.050 31.861 31.823 -0.021 0.000 1.053 131 V HN 0.476 nan 8.190 nan 0.000 0.476 132 T N 4.181 118.723 114.554 -0.019 0.000 2.793 132 T HA 0.196 4.545 4.350 -0.001 0.000 0.289 132 T C -2.429 172.271 174.700 -0.001 0.000 0.956 132 T CA -0.449 61.648 62.100 -0.005 0.000 1.177 132 T CB 0.574 69.437 68.868 -0.008 0.000 0.897 132 T HN 0.177 nan 8.240 nan 0.000 0.533 133 P HA 0.139 nan 4.420 nan 0.000 0.265 133 P C -0.140 177.164 177.300 0.007 0.000 1.193 133 P CA -0.069 63.048 63.100 0.029 0.000 0.765 133 P CB 0.330 32.093 31.700 0.106 0.000 0.823 134 I N 2.374 122.931 120.570 -0.022 0.000 2.472 134 I HA 0.145 4.314 4.170 -0.001 0.000 0.290 134 I C 0.974 177.080 176.117 -0.019 0.000 1.016 134 I CA -0.409 60.882 61.300 -0.016 0.000 1.348 134 I CB 0.690 38.671 38.000 -0.033 0.000 1.417 134 I HN 0.313 nan 8.210 nan 0.000 0.521 135 D N 3.993 124.397 120.400 0.007 0.000 2.382 135 D HA 0.247 4.887 4.640 -0.001 0.000 0.240 135 D C -0.397 175.875 176.300 -0.045 0.000 1.146 135 D CA 0.230 54.223 54.000 -0.012 0.000 0.897 135 D CB 0.855 41.667 40.800 0.019 0.000 1.197 135 D HN 0.639 nan 8.370 nan 0.000 0.432 136 T N -1.061 113.437 114.554 -0.094 0.000 2.900 136 T HA 0.584 4.933 4.350 -0.001 0.000 0.303 136 T C -0.511 174.044 174.700 -0.242 0.000 1.142 136 T CA -0.956 61.047 62.100 -0.162 0.000 1.007 136 T CB 1.452 70.248 68.868 -0.120 0.000 1.156 136 T HN 0.199 nan 8.240 nan 0.000 0.490 137 T N 2.449 116.710 114.554 -0.489 0.000 2.795 137 T HA 0.627 4.976 4.350 -0.001 0.000 0.282 137 T C -0.104 174.363 174.700 -0.388 0.000 0.980 137 T CA -0.612 61.180 62.100 -0.514 0.000 1.012 137 T CB 0.885 69.244 68.868 -0.848 0.000 0.936 137 T HN 0.719 nan 8.240 nan 0.000 0.457 141 K N 1.216 121.654 120.400 0.063 0.000 2.270 141 K HA 0.292 4.611 4.320 -0.001 0.000 0.276 141 K C -0.391 176.224 176.600 0.025 0.000 1.023 141 K CA -0.117 56.197 56.287 0.046 0.000 0.955 141 K CB 0.707 33.240 32.500 0.056 0.000 0.975 141 K HN 0.685 nan 8.250 nan 0.000 0.471 142 N N 2.611 121.300 118.700 -0.020 0.000 2.462 142 N HA 0.098 4.838 4.740 -0.001 0.000 0.242 142 N C -1.216 174.194 175.510 -0.166 0.000 1.010 142 N CA -0.286 52.719 53.050 -0.074 0.000 0.939 142 N CB 0.933 39.367 38.487 -0.088 0.000 1.127 142 N HN 0.387 nan 8.380 nan 0.000 0.509 143 E N 0.986 121.085 120.200 -0.168 0.000 2.288 143 E HA 0.417 4.767 4.350 -0.001 0.000 0.268 143 E C -0.894 175.373 176.600 -0.554 0.000 0.885 143 E CA -0.959 55.239 56.400 -0.336 0.000 0.767 143 E CB 2.530 32.108 29.700 -0.202 0.000 1.220 143 E HN 0.104 nan 8.360 nan 0.000 0.427 144 V N 3.150 122.577 119.914 -0.811 0.000 2.481 144 V HA 0.480 4.599 4.120 -0.001 0.000 0.286 144 V C -0.682 174.806 176.094 -1.011 0.000 1.042 144 V CA -0.178 61.641 62.300 -0.803 0.000 0.928 144 V CB 0.147 31.593 31.823 -0.628 0.000 0.986 144 V HN 0.520 nan 8.190 nan 0.000 0.462 145 F N 2.010 121.618 119.950 -0.570 0.000 2.692 145 F HA 0.604 5.131 4.527 -0.001 0.000 0.320 145 F C -0.018 175.608 175.800 -0.290 0.000 1.123 145 F CA -0.718 57.039 58.000 -0.404 0.000 0.961 145 F CB 1.382 40.148 39.000 -0.389 0.000 1.383 145 F HN 0.544 nan 8.300 nan 0.000 0.483 146 C N 2.948 122.357 119.300 0.181 0.000 2.355 146 C HA 0.813 5.272 4.460 -0.001 0.000 0.332 146 C C 0.212 175.405 174.990 0.337 0.000 1.255 146 C CA -0.621 58.529 59.018 0.220 0.000 1.792 146 C CB -0.117 27.707 27.740 0.140 0.000 2.300 146 C HN 0.747 nan 8.230 nan 0.000 0.515 147 V N 4.732 124.876 119.914 0.383 0.000 3.432 147 V HA 0.435 4.554 4.120 -0.001 0.000 0.304 147 V C 0.064 176.246 176.094 0.147 0.000 1.107 147 V CA 0.339 62.809 62.300 0.283 0.000 1.153 147 V CB 0.065 31.978 31.823 0.150 0.000 1.072 147 V HN 1.390 nan 8.190 nan 0.000 0.485 155 K N 2.773 123.161 120.400 -0.021 0.000 2.174 155 K HA 0.461 4.781 4.320 -0.001 0.000 0.275 155 K C -2.172 174.422 176.600 -0.010 0.000 1.015 155 K CA -1.490 54.757 56.287 -0.068 0.000 0.933 155 K CB 1.090 33.466 32.500 -0.207 0.000 1.025 155 K HN 0.152 nan 8.250 nan 0.000 0.463 156 P HA -0.000 nan 4.420 nan 0.000 0.272 156 P C -0.475 176.846 177.300 0.034 0.000 1.223 156 P CA -0.349 62.757 63.100 0.009 0.000 0.784 156 P CB 0.780 32.474 31.700 -0.010 0.000 0.923 157 A N 3.613 126.467 122.820 0.056 0.000 2.520 157 A HA 0.070 4.389 4.320 -0.001 0.000 0.235 157 A C 0.691 178.314 177.584 0.065 0.000 1.065 157 A CA 0.084 52.167 52.037 0.078 0.000 0.764 157 A CB -0.246 18.791 19.000 0.061 0.000 1.002 157 A HN 0.500 nan 8.150 nan 0.000 0.502 158 R N 0.178 120.734 120.500 0.093 0.000 2.528 158 R HA 0.472 4.811 4.340 -0.001 0.000 0.271 158 R C -1.070 175.283 176.300 0.088 0.000 1.056 158 R CA -0.790 55.368 56.100 0.096 0.000 1.117 158 R CB 0.541 30.916 30.300 0.125 0.000 1.085 158 R HN 0.482 nan 8.270 nan 0.000 0.530 159 L N 2.351 123.631 121.223 0.095 0.000 2.325 159 L HA 0.476 4.816 4.340 -0.001 0.000 0.278 159 L C -0.309 176.646 176.870 0.142 0.000 1.023 159 L CA -0.636 54.264 54.840 0.099 0.000 0.811 159 L CB 1.228 43.329 42.059 0.069 0.000 1.249 159 L HN 0.497 nan 8.230 nan 0.000 0.431 160 I N 2.660 123.329 120.570 0.165 0.000 2.509 160 I HA 0.650 4.820 4.170 -0.001 0.000 0.293 160 I C -1.023 175.260 176.117 0.276 0.000 1.020 160 I CA -0.358 61.074 61.300 0.220 0.000 1.088 160 I CB 1.903 40.031 38.000 0.214 0.000 1.267 160 I HN 0.220 nan 8.210 nan 0.000 0.430 161 V N 8.452 128.535 119.914 0.282 0.000 2.483 161 V HA 0.596 4.716 4.120 -0.001 0.000 0.297 161 V C -0.870 175.398 176.094 0.290 0.000 1.027 161 V CA -0.497 61.926 62.300 0.205 0.000 0.855 161 V CB 1.167 33.085 31.823 0.158 0.000 0.995 161 V HN 0.601 nan 8.190 nan 0.000 0.424 162 F N 4.776 124.771 119.950 0.075 0.000 2.601 162 F HA 0.950 5.477 4.527 -0.001 0.000 0.309 162 F C -3.066 172.774 175.800 0.066 0.000 1.089 162 F CA -2.723 55.322 58.000 0.075 0.000 0.940 162 F CB 1.727 40.766 39.000 0.065 0.000 1.273 162 F HN 0.303 nan 8.300 nan 0.000 0.450 163 P HA 0.188 nan 4.420 nan 0.000 0.279 163 P C -1.051 176.367 177.300 0.197 0.000 1.276 163 P CA -0.145 63.021 63.100 0.109 0.000 0.801 163 P CB 1.328 33.103 31.700 0.125 0.000 1.127 164 D N -0.756 119.743 120.400 0.165 0.000 2.368 164 D HA -0.042 4.597 4.640 -0.001 0.000 0.240 164 D C 1.371 177.805 176.300 0.223 0.000 1.169 164 D CA -0.313 53.813 54.000 0.210 0.000 0.906 164 D CB 0.287 41.264 40.800 0.294 0.000 1.187 164 D HN 0.096 nan 8.370 nan 0.000 0.435 165 L N 3.049 124.383 121.223 0.185 0.000 2.021 165 L HA -0.036 4.304 4.340 -0.001 0.000 0.215 165 L C 2.073 179.081 176.870 0.229 0.000 1.074 165 L CA 2.650 57.585 54.840 0.159 0.000 0.760 165 L CB -1.172 40.927 42.059 0.066 0.000 0.889 165 L HN 0.666 nan 8.230 nan 0.000 0.433 166 G N -1.309 107.694 108.800 0.338 0.000 2.440 166 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 166 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 166 G C 1.546 176.553 174.900 0.179 0.000 1.154 166 G CA 1.101 46.407 45.100 0.343 0.000 0.767 166 G HN 0.370 nan 8.290 nan 0.000 0.552 167 V N 0.604 120.620 119.914 0.170 0.000 2.358 167 V HA -0.138 3.981 4.120 -0.001 0.000 0.246 167 V C 2.926 179.102 176.094 0.137 0.000 1.047 167 V CA 1.806 64.181 62.300 0.125 0.000 1.035 167 V CB -0.429 31.461 31.823 0.111 0.000 0.658 167 V HN 0.329 nan 8.190 nan 0.000 0.452 168 R N -0.306 120.283 120.500 0.148 0.000 2.091 168 R HA -0.134 4.205 4.340 -0.001 0.000 0.238 168 R C 2.215 178.575 176.300 0.100 0.000 1.136 168 R CA 1.534 57.712 56.100 0.132 0.000 0.959 168 R CB -0.624 29.748 30.300 0.119 0.000 0.856 168 R HN 0.419 nan 8.270 nan 0.000 0.437 169 V N 0.295 120.260 119.914 0.086 0.000 2.427 169 V HA -0.270 3.850 4.120 -0.001 0.000 0.248 169 V C 2.447 178.573 176.094 0.053 0.000 1.051 169 V CA 1.432 63.752 62.300 0.033 0.000 1.048 169 V CB -0.411 31.422 31.823 0.016 0.000 0.666 169 V HN 0.452 nan 8.190 nan 0.000 0.456 170 C N -0.138 119.238 119.300 0.127 0.000 2.440 170 C HA -0.119 4.341 4.460 -0.001 0.000 0.278 170 C C 2.661 177.825 174.990 0.289 0.000 1.295 170 C CA 0.783 59.959 59.018 0.262 0.000 1.738 170 C CB -0.912 27.028 27.740 0.332 0.000 1.987 170 C HN 0.618 nan 8.230 nan 0.000 0.492 171 E N 0.707 121.031 120.200 0.207 0.000 2.077 171 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 171 E C 1.009 177.727 176.600 0.197 0.000 0.989 171 E CA 0.787 57.321 56.400 0.223 0.000 0.800 171 E CB -0.015 29.825 29.700 0.233 0.000 0.746 171 E HN 0.655 nan 8.360 nan 0.000 0.452 175 L N -0.850 120.458 121.223 0.142 0.000 3.086 175 L HA 0.298 4.638 4.340 -0.001 0.000 0.274 175 L C 1.596 178.497 176.870 0.052 0.000 1.184 175 L CA 0.212 55.076 54.840 0.040 0.000 1.002 175 L CB 0.272 42.317 42.059 -0.022 0.000 1.383 175 L HN 0.496 nan 8.230 nan 0.000 0.582 176 Y N 1.474 121.784 120.300 0.016 0.000 2.097 176 Y HA -0.330 4.219 4.550 -0.001 0.000 0.282 176 Y C 2.260 178.184 175.900 0.040 0.000 1.152 176 Y CA 2.257 60.378 58.100 0.035 0.000 1.136 176 Y CB 0.086 38.554 38.460 0.014 0.000 0.975 176 Y HN 0.234 nan 8.280 nan 0.000 0.498 177 D N -0.772 119.653 120.400 0.041 0.000 2.117 177 D HA -0.167 4.472 4.640 -0.001 0.000 0.197 177 D C 2.250 178.485 176.300 -0.107 0.000 0.987 177 D CA 1.431 55.407 54.000 -0.040 0.000 0.829 177 D CB -0.245 40.579 40.800 0.041 0.000 0.961 177 D HN 0.260 nan 8.370 nan 0.000 0.460 178 V N 0.425 120.279 119.914 -0.099 0.000 2.261 178 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 178 V C 2.683 178.655 176.094 -0.203 0.000 1.047 178 V CA 1.818 64.033 62.300 -0.142 0.000 1.015 178 V CB -0.627 31.087 31.823 -0.180 0.000 0.642 178 V HN 0.328 nan 8.190 nan 0.000 0.446 179 V N -2.515 117.256 119.914 -0.239 0.000 2.913 179 V HA -0.098 4.021 4.120 -0.001 0.000 0.260 179 V C 1.998 177.933 176.094 -0.265 0.000 1.098 179 V CA 2.084 64.235 62.300 -0.248 0.000 1.121 179 V CB -0.419 31.283 31.823 -0.203 0.000 0.714 179 V HN 0.452 nan 8.190 nan 0.000 0.487 180 S N 0.241 115.780 115.700 -0.269 0.000 2.458 180 S HA 0.014 4.484 4.470 -0.001 0.000 0.223 180 S C 1.874 176.377 174.600 -0.160 0.000 1.019 180 S CA 1.354 59.414 58.200 -0.233 0.000 0.937 180 S CB 0.090 63.100 63.200 -0.317 0.000 0.788 180 S HN 0.772 nan 8.310 nan 0.000 0.511 181 T N 1.713 116.170 114.554 -0.162 0.000 3.056 181 T HA 0.274 4.624 4.350 -0.001 0.000 0.241 181 T C 1.706 176.305 174.700 -0.168 0.000 1.006 181 T CA -0.075 61.947 62.100 -0.130 0.000 1.115 181 T CB -0.231 68.585 68.868 -0.086 0.000 0.939 181 T HN 0.163 nan 8.240 nan 0.000 0.462 182 L N 1.981 123.100 121.223 -0.174 0.000 2.042 182 L HA -0.044 4.296 4.340 -0.001 0.000 0.210 182 L C -0.980 175.725 176.870 -0.276 0.000 1.076 182 L CA 1.647 56.384 54.840 -0.171 0.000 0.749 182 L CB -0.837 41.162 42.059 -0.100 0.000 0.893 182 L HN 0.151 nan 8.230 nan 0.000 0.432 183 P HA -0.234 nan 4.420 nan 0.000 0.215 183 P C 1.334 178.192 177.300 -0.737 0.000 1.157 183 P CA 1.315 63.965 63.100 -0.751 0.000 0.868 183 P CB -0.147 30.726 31.700 -1.378 0.000 0.788 184 Q N -0.025 119.424 119.800 -0.586 0.000 2.172 184 Q HA -0.086 4.254 4.340 -0.001 0.000 0.200 184 Q C 1.963 177.840 176.000 -0.206 0.000 0.964 184 Q CA 1.321 56.953 55.803 -0.284 0.000 0.855 184 Q CB -0.668 28.005 28.738 -0.108 0.000 0.918 184 Q HN 0.073 nan 8.270 nan 0.000 0.444 185 V N 0.341 120.139 119.914 -0.193 0.000 2.295 185 V HA -0.157 3.962 4.120 -0.001 0.000 0.246 185 V C 1.787 177.794 176.094 -0.145 0.000 1.049 185 V CA 0.927 63.147 62.300 -0.133 0.000 1.024 185 V CB -0.317 31.443 31.823 -0.105 0.000 0.648 185 V HN 0.041 nan 8.190 nan 0.000 0.447 189 S N 0.204 115.888 115.700 -0.028 0.000 2.469 189 S HA 0.002 4.472 4.470 -0.001 0.000 0.238 189 S C 1.977 176.399 174.600 -0.297 0.000 0.998 189 S CA 2.115 60.242 58.200 -0.122 0.000 0.957 189 S CB -0.140 63.114 63.200 0.090 0.000 0.764 189 S HN 0.457 nan 8.310 nan 0.000 0.514 190 S N 0.264 115.922 115.700 -0.070 0.000 2.515 190 S HA 0.115 4.585 4.470 -0.001 0.000 0.231 190 S C 0.186 174.756 174.600 -0.050 0.000 0.987 190 S CA -0.064 58.142 58.200 0.010 0.000 0.936 190 S CB -0.413 62.932 63.200 0.241 0.000 0.766 190 S HN 0.704 nan 8.310 nan 0.000 0.528 191 Y N 2.958 123.075 120.300 -0.304 0.000 2.539 191 Y HA 0.466 5.015 4.550 -0.001 0.000 0.352 191 Y C 1.277 176.898 175.900 -0.465 0.000 1.004 191 Y CA -1.495 56.401 58.100 -0.340 0.000 1.278 191 Y CB -0.061 38.209 38.460 -0.318 0.000 1.136 191 Y HN 0.061 nan 8.280 nan 0.000 0.528 192 G N 4.663 113.024 108.800 -0.732 0.000 2.440 192 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.218 192 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.218 192 G C 1.148 175.444 174.900 -1.008 0.000 1.154 192 G CA 0.501 45.127 45.100 -0.791 0.000 0.767 192 G HN 0.661 nan 8.290 nan 0.000 0.552 193 F N 1.605 120.801 119.950 -1.256 0.000 2.583 193 F HA -0.005 4.521 4.527 -0.001 0.000 0.297 193 F C 2.849 178.344 175.800 -0.508 0.000 1.131 193 F CA 1.090 58.475 58.000 -1.024 0.000 1.467 193 F CB -0.228 38.170 39.000 -1.002 0.000 1.097 193 F HN 0.405 nan 8.300 nan 0.000 0.586 194 Q N -0.795 118.684 119.800 -0.534 0.000 2.432 194 Q HA -0.061 4.279 4.340 -0.001 0.000 0.205 194 Q C -0.529 175.365 176.000 -0.177 0.000 0.945 194 Q CA 0.697 56.334 55.803 -0.277 0.000 0.924 194 Q CB -0.268 28.231 28.738 -0.398 0.000 1.016 194 Q HN 0.293 nan 8.270 nan 0.000 0.503 195 Y N 1.628 121.917 120.300 -0.018 0.000 2.387 195 Y HA 0.362 4.911 4.550 -0.001 0.000 0.330 195 Y C 0.560 176.337 175.900 -0.205 0.000 1.133 195 Y CA -1.529 56.523 58.100 -0.081 0.000 1.152 195 Y CB 1.462 39.833 38.460 -0.148 0.000 1.215 195 Y HN 0.078 nan 8.280 nan 0.000 0.466 196 S N 1.452 116.932 115.700 -0.367 0.000 2.645 196 S HA 0.297 4.766 4.470 -0.001 0.000 0.266 196 S C -2.109 172.176 174.600 -0.525 0.000 1.258 196 S CA -1.170 56.327 58.200 -1.171 0.000 0.990 196 S CB 1.419 64.005 63.200 -1.024 0.000 0.967 196 S HN 0.416 nan 8.310 nan 0.000 0.556 197 P HA -0.013 nan 4.420 nan 0.000 0.217 197 P C 1.637 178.850 177.300 -0.144 0.000 1.148 197 P CA 1.632 64.604 63.100 -0.214 0.000 0.828 197 P CB -0.427 31.176 31.700 -0.161 0.000 0.783 198 G N -0.314 108.367 108.800 -0.197 0.000 2.402 198 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.216 198 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.216 198 G C 1.487 176.313 174.900 -0.123 0.000 1.162 198 G CA 0.483 45.519 45.100 -0.106 0.000 0.777 198 G HN 0.299 nan 8.290 nan 0.000 0.539 199 Q N -0.431 119.270 119.800 -0.165 0.000 2.224 199 Q HA -0.012 4.328 4.340 -0.001 0.000 0.203 199 Q C 2.535 178.318 176.000 -0.362 0.000 0.970 199 Q CA 0.916 56.607 55.803 -0.186 0.000 0.865 199 Q CB -0.104 28.596 28.738 -0.063 0.000 0.922 199 Q HN 0.484 nan 8.270 nan 0.000 0.445 200 R N 0.395 120.742 120.500 -0.255 0.000 2.073 200 R HA -0.099 4.241 4.340 -0.001 0.000 0.229 200 R C 1.997 178.206 176.300 -0.151 0.000 1.120 200 R CA 1.038 56.995 56.100 -0.238 0.000 0.967 200 R CB -0.006 30.261 30.300 -0.056 0.000 0.862 200 R HN 0.088 nan 8.270 nan 0.000 0.436 201 V N 1.510 121.356 119.914 -0.114 0.000 2.343 201 V HA -0.220 3.899 4.120 -0.001 0.000 0.247 201 V C 2.361 178.379 176.094 -0.127 0.000 1.051 201 V CA 2.201 64.442 62.300 -0.099 0.000 1.036 201 V CB -0.586 31.214 31.823 -0.039 0.000 0.654 201 V HN 0.497 nan 8.190 nan 0.000 0.451 202 E N -0.125 120.005 120.200 -0.118 0.000 2.051 202 E HA -0.279 4.070 4.350 -0.001 0.000 0.192 202 E C 2.125 178.646 176.600 -0.132 0.000 0.991 202 E CA 1.718 58.052 56.400 -0.109 0.000 0.799 202 E CB -0.245 29.403 29.700 -0.086 0.000 0.748 202 E HN 0.542 nan 8.360 nan 0.000 0.449 203 F N 1.181 120.932 119.950 -0.330 0.000 2.134 203 F HA -0.130 4.396 4.527 -0.001 0.000 0.299 203 F C 1.921 177.604 175.800 -0.195 0.000 1.097 203 F CA 1.304 59.114 58.000 -0.318 0.000 1.264 203 F CB -0.166 38.480 39.000 -0.590 0.000 1.001 203 F HN 0.015 nan 8.300 nan 0.000 0.479 204 L N -0.821 120.278 121.223 -0.207 0.000 2.046 204 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 204 L C 2.375 179.095 176.870 -0.250 0.000 1.077 204 L CA 0.963 55.663 54.840 -0.233 0.000 0.747 204 L CB -0.757 41.211 42.059 -0.152 0.000 0.896 204 L HN 0.024 nan 8.230 nan 0.000 0.432 205 V N 0.024 119.775 119.914 -0.272 0.000 2.270 205 V HA -0.266 3.854 4.120 -0.001 0.000 0.245 205 V C 2.212 178.201 176.094 -0.175 0.000 1.043 205 V CA 1.878 64.003 62.300 -0.291 0.000 1.014 205 V CB -0.625 30.953 31.823 -0.410 0.000 0.645 205 V HN 0.476 nan 8.190 nan 0.000 0.447 206 N N 0.037 118.616 118.700 -0.202 0.000 2.166 206 N HA -0.141 4.598 4.740 -0.001 0.000 0.186 206 N C 1.892 177.280 175.510 -0.203 0.000 1.019 206 N CA 1.937 54.885 53.050 -0.170 0.000 0.856 206 N CB -0.640 37.754 38.487 -0.156 0.000 0.993 206 N HN 0.459 nan 8.380 nan 0.000 0.426 207 T N 0.364 114.710 114.554 -0.347 0.000 2.746 207 T HA -0.139 4.211 4.350 -0.001 0.000 0.267 207 T C 1.498 176.116 174.700 -0.135 0.000 1.039 207 T CA 0.617 62.512 62.100 -0.341 0.000 1.142 207 T CB -0.230 68.298 68.868 -0.566 0.000 0.866 207 T HN 0.428 nan 8.240 nan 0.000 0.444 208 W N 2.209 123.344 121.300 -0.274 0.000 2.338 208 W HA -0.110 4.550 4.660 -0.001 0.000 0.304 208 W C 1.917 178.344 176.519 -0.152 0.000 1.212 208 W CA 1.199 58.425 57.345 -0.198 0.000 1.264 208 W CB -0.141 29.195 29.460 -0.206 0.000 1.142 208 W HN 0.262 nan 8.180 nan 0.000 0.512 209 K N 0.216 120.628 120.400 0.021 0.000 2.211 209 K HA -0.140 4.179 4.320 -0.001 0.000 0.203 209 K C 2.143 178.684 176.600 -0.098 0.000 1.050 209 K CA 1.663 57.926 56.287 -0.040 0.000 0.945 209 K CB -0.334 32.153 32.500 -0.021 0.000 0.732 209 K HN 0.062 nan 8.250 nan 0.000 0.451 210 S N 0.734 116.364 115.700 -0.117 0.000 2.474 210 S HA -0.035 4.434 4.470 -0.001 0.000 0.235 210 S C 0.511 175.032 174.600 -0.133 0.000 0.997 210 S CA 0.575 58.708 58.200 -0.112 0.000 0.949 210 S CB -0.017 63.116 63.200 -0.111 0.000 0.766 210 S HN -0.019 nan 8.310 nan 0.000 0.517 211 K N 1.917 122.199 120.400 -0.197 0.000 2.183 211 K HA 0.362 4.681 4.320 -0.001 0.000 0.274 211 K C 0.608 177.089 176.600 -0.199 0.000 1.009 211 K CA -0.418 55.738 56.287 -0.217 0.000 0.888 211 K CB 1.266 33.571 32.500 -0.325 0.000 1.078 211 K HN 0.204 nan 8.250 nan 0.000 0.459 212 K N 1.158 121.474 120.400 -0.139 0.000 2.063 212 K HA -0.096 4.223 4.320 -0.001 0.000 0.208 212 K C 0.152 176.678 176.600 -0.122 0.000 1.048 212 K CA 1.161 57.385 56.287 -0.106 0.000 0.928 212 K CB 0.090 32.545 32.500 -0.075 0.000 0.713 212 K HN 0.444 nan 8.250 nan 0.000 0.442 213 N N 1.019 119.631 118.700 -0.147 0.000 2.648 213 N HA 0.210 4.950 4.740 -0.001 0.000 0.261 213 N C -2.751 172.623 175.510 -0.226 0.000 1.138 213 N CA -1.026 51.941 53.050 -0.139 0.000 0.804 213 N CB 1.956 40.401 38.487 -0.071 0.000 1.237 213 N HN 0.016 nan 8.380 nan 0.000 0.532 217 F N -0.796 119.126 119.950 -0.046 0.000 2.703 217 F HA 0.815 5.342 4.527 -0.000 0.000 0.308 217 F C -0.324 175.462 175.800 -0.022 0.000 1.126 217 F CA -1.019 56.948 58.000 -0.055 0.000 0.959 217 F CB 1.309 40.257 39.000 -0.087 0.000 1.297 217 F HN 0.816 nan 8.300 nan 0.000 0.441 218 S N 1.236 117.036 115.700 0.166 0.000 2.565 218 S HA 0.681 5.150 4.470 -0.001 0.000 0.290 218 S C -1.643 173.153 174.600 0.327 0.000 1.150 218 S CA -0.616 57.652 58.200 0.113 0.000 1.058 218 S CB 1.790 65.028 63.200 0.064 0.000 1.032 218 S HN 0.879 nan 8.310 nan 0.000 0.510 219 Y N 1.430 121.835 120.300 0.175 0.000 2.326 219 Y HA 0.474 5.024 4.550 -0.001 0.000 0.331 219 Y C -1.121 174.898 175.900 0.198 0.000 0.962 219 Y CA -0.855 57.406 58.100 0.269 0.000 1.167 219 Y CB 1.477 40.193 38.460 0.425 0.000 1.148 219 Y HN 0.875 nan 8.280 nan 0.000 0.463 220 D N 4.182 124.399 120.400 -0.305 0.000 2.392 220 D HA 0.276 4.916 4.640 -0.001 0.000 0.228 220 D C -0.841 175.278 176.300 -0.302 0.000 1.074 220 D CA -0.095 53.798 54.000 -0.178 0.000 0.838 220 D CB 1.163 41.904 40.800 -0.098 0.000 1.067 220 D HN 0.468 nan 8.370 nan 0.000 0.511 221 T N 3.576 118.137 114.554 0.012 0.000 2.889 221 T HA 0.197 4.546 4.350 -0.001 0.000 0.291 221 T C 0.317 175.109 174.700 0.154 0.000 0.995 221 T CA -0.617 61.584 62.100 0.169 0.000 1.092 221 T CB 0.896 70.094 68.868 0.550 0.000 0.954 221 T HN 0.279 nan 8.240 nan 0.000 0.506 222 R N 2.209 122.772 120.500 0.105 0.000 2.288 222 R HA 0.117 4.457 4.340 -0.001 0.000 0.330 222 R C 0.200 176.606 176.300 0.177 0.000 1.069 222 R CA -0.138 56.013 56.100 0.084 0.000 0.941 222 R CB -0.811 29.486 30.300 -0.006 0.000 0.998 222 R HN 0.964 nan 8.270 nan 0.000 0.452 223 C N 6.574 126.003 119.300 0.215 0.000 3.514 223 C HA -0.200 4.259 4.460 -0.001 0.000 0.286 223 C C 1.333 176.529 174.990 0.343 0.000 1.302 223 C CA 0.216 59.404 59.018 0.284 0.000 2.239 223 C CB -2.505 25.430 27.740 0.326 0.000 1.429 223 C HN 1.081 nan 8.230 nan 0.000 0.565 224 F N 1.841 121.907 119.950 0.192 0.000 2.063 224 F HA -0.212 4.315 4.527 -0.001 0.000 0.297 224 F C 1.824 177.734 175.800 0.183 0.000 1.099 224 F CA 2.746 60.860 58.000 0.190 0.000 1.220 224 F CB -0.168 38.933 39.000 0.168 0.000 0.972 224 F HN 0.586 nan 8.300 nan 0.000 0.487 225 D N -0.540 120.102 120.400 0.404 0.000 2.158 225 D HA -0.178 4.461 4.640 -0.001 0.000 0.197 225 D C 2.437 178.804 176.300 0.112 0.000 0.995 225 D CA 1.696 55.856 54.000 0.267 0.000 0.846 225 D CB -0.492 40.469 40.800 0.269 0.000 0.941 225 D HN 0.250 nan 8.370 nan 0.000 0.456 226 S N -0.922 114.862 115.700 0.140 0.000 2.489 226 S HA -0.076 4.393 4.470 -0.001 0.000 0.228 226 S C 1.939 176.497 174.600 -0.070 0.000 0.995 226 S CA 1.215 59.407 58.200 -0.013 0.000 0.934 226 S CB -0.087 63.129 63.200 0.026 0.000 0.771 226 S HN 0.523 nan 8.310 nan 0.000 0.522 227 T N -0.756 113.830 114.554 0.053 0.000 3.088 227 T HA 0.151 4.501 4.350 -0.001 0.000 0.259 227 T C 0.595 175.217 174.700 -0.131 0.000 1.122 227 T CA 0.010 62.129 62.100 0.032 0.000 1.095 227 T CB -0.326 68.531 68.868 -0.019 0.000 0.930 227 T HN 0.012 nan 8.240 nan 0.000 0.508 228 V N 4.167 123.968 119.914 -0.188 0.000 2.446 228 V HA 0.297 4.417 4.120 -0.001 0.000 0.276 228 V C 1.182 177.219 176.094 -0.094 0.000 1.030 228 V CA -0.169 62.041 62.300 -0.150 0.000 1.033 228 V CB -0.063 31.710 31.823 -0.083 0.000 0.993 228 V HN 0.726 nan 8.190 nan 0.000 0.477 229 T N 0.950 115.459 114.554 -0.075 0.000 2.862 229 T HA 0.300 4.649 4.350 -0.001 0.000 0.276 229 T C 1.071 175.751 174.700 -0.035 0.000 0.974 229 T CA -0.190 61.873 62.100 -0.063 0.000 0.966 229 T CB 1.422 70.244 68.868 -0.076 0.000 1.072 229 T HN 0.686 nan 8.240 nan 0.000 0.538 230 E N 0.397 120.584 120.200 -0.022 0.000 2.110 230 E HA -0.251 4.098 4.350 -0.001 0.000 0.193 230 E C 1.944 178.543 176.600 -0.001 0.000 0.988 230 E CA 1.522 57.923 56.400 0.002 0.000 0.804 230 E CB -0.256 29.455 29.700 0.018 0.000 0.745 230 E HN 0.761 nan 8.360 nan 0.000 0.458 231 N N 0.737 119.426 118.700 -0.017 0.000 2.043 231 N HA -0.213 4.526 4.740 -0.001 0.000 0.193 231 N C 1.474 176.987 175.510 0.006 0.000 1.037 231 N CA 2.213 55.255 53.050 -0.013 0.000 0.851 231 N CB -0.151 38.310 38.487 -0.044 0.000 1.027 231 N HN 0.144 nan 8.380 nan 0.000 0.422 232 D N 0.123 120.524 120.400 0.003 0.000 2.104 232 D HA -0.147 4.493 4.640 -0.001 0.000 0.194 232 D C 1.990 178.294 176.300 0.006 0.000 0.994 232 D CA 1.141 55.154 54.000 0.023 0.000 0.830 232 D CB -0.351 40.456 40.800 0.012 0.000 0.959 232 D HN 0.472 nan 8.370 nan 0.000 0.452 233 I N 0.481 121.056 120.570 0.008 0.000 2.394 233 I HA -0.187 3.983 4.170 -0.001 0.000 0.251 233 I C 2.474 178.588 176.117 -0.005 0.000 1.136 233 I CA 0.868 62.178 61.300 0.016 0.000 1.425 233 I CB -0.064 37.971 38.000 0.058 0.000 1.079 233 I HN -0.104 nan 8.210 nan 0.000 0.425 234 R N -0.052 120.446 120.500 -0.003 0.000 2.090 234 R HA -0.045 4.294 4.340 -0.001 0.000 0.228 234 R C 2.327 178.594 176.300 -0.055 0.000 1.110 234 R CA 0.862 56.954 56.100 -0.014 0.000 0.973 234 R CB -0.253 30.047 30.300 0.001 0.000 0.869 234 R HN 0.192 nan 8.270 nan 0.000 0.440 235 V N 1.502 121.389 119.914 -0.046 0.000 2.407 235 V HA -0.231 3.889 4.120 -0.001 0.000 0.248 235 V C 1.890 177.883 176.094 -0.168 0.000 1.055 235 V CA 1.797 64.056 62.300 -0.068 0.000 1.049 235 V CB -0.370 31.448 31.823 -0.008 0.000 0.662 235 V HN 0.348 nan 8.190 nan 0.000 0.455 236 E N -0.284 119.785 120.200 -0.218 0.000 2.085 236 E HA -0.264 4.086 4.350 -0.001 0.000 0.194 236 E C 2.313 178.399 176.600 -0.858 0.000 0.994 236 E CA 1.357 57.474 56.400 -0.471 0.000 0.801 236 E CB -0.163 29.317 29.700 -0.367 0.000 0.743 236 E HN 0.609 nan 8.360 nan 0.000 0.453 237 E N 0.656 120.560 120.200 -0.493 0.000 2.150 237 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 237 E C 2.123 178.600 176.600 -0.205 0.000 0.985 237 E CA 1.345 57.547 56.400 -0.330 0.000 0.814 237 E CB 0.073 29.758 29.700 -0.025 0.000 0.752 237 E HN 0.226 nan 8.360 nan 0.000 0.466 238 S N 0.277 115.876 115.700 -0.168 0.000 2.402 238 S HA -0.122 4.347 4.470 -0.001 0.000 0.229 238 S C 2.053 176.596 174.600 -0.096 0.000 1.021 238 S CA 0.810 58.954 58.200 -0.092 0.000 0.974 238 S CB -0.480 62.679 63.200 -0.069 0.000 0.800 238 S HN 0.265 nan 8.310 nan 0.000 0.484 239 I N 0.145 120.609 120.570 -0.176 0.000 2.233 239 I HA -0.117 4.052 4.170 -0.001 0.000 0.243 239 I C 2.349 178.464 176.117 -0.004 0.000 1.093 239 I CA 1.229 62.459 61.300 -0.116 0.000 1.380 239 I CB -0.578 37.328 38.000 -0.158 0.000 1.067 239 I HN 0.198 nan 8.210 nan 0.000 0.413 240 Y N 1.261 121.552 120.300 -0.016 0.000 2.151 240 Y HA -0.252 4.297 4.550 -0.001 0.000 0.284 240 Y C 2.682 178.582 175.900 0.001 0.000 1.166 240 Y CA 0.747 58.842 58.100 -0.008 0.000 1.163 240 Y CB -1.193 37.276 38.460 0.016 0.000 0.974 240 Y HN 0.271 nan 8.280 nan 0.000 0.511 241 Q N -1.223 118.661 119.800 0.139 0.000 2.364 241 Q HA -0.119 4.220 4.340 -0.001 0.000 0.207 241 Q C 2.346 178.376 176.000 0.050 0.000 0.970 241 Q CA 0.958 56.811 55.803 0.084 0.000 0.888 241 Q CB -0.818 27.952 28.738 0.053 0.000 0.951 241 Q HN 0.524 nan 8.270 nan 0.000 0.469 242 C N 0.193 119.515 119.300 0.037 0.000 2.432 242 C HA -0.037 4.423 4.460 -0.001 0.000 0.282 242 C C 1.609 176.613 174.990 0.023 0.000 1.388 242 C CA -0.701 58.328 59.018 0.018 0.000 1.777 242 C CB -0.739 27.002 27.740 0.002 0.000 1.882 242 C HN 0.409 nan 8.230 nan 0.000 0.520 243 C N 1.735 121.058 119.300 0.038 0.000 2.705 243 C HA 0.139 4.599 4.460 -0.001 0.000 0.382 243 C C 0.553 175.560 174.990 0.028 0.000 1.322 243 C CA -0.195 58.841 59.018 0.029 0.000 2.290 243 C CB -0.237 27.525 27.740 0.035 0.000 2.650 243 C HN 0.499 nan 8.230 nan 0.000 0.695 244 D N 1.546 121.958 120.400 0.020 0.000 2.352 244 D HA 0.483 5.123 4.640 -0.001 0.000 0.245 244 D C -0.629 175.688 176.300 0.028 0.000 1.224 244 D CA 0.298 54.310 54.000 0.021 0.000 0.879 244 D CB -0.080 40.729 40.800 0.014 0.000 1.057 244 D HN 0.389 nan 8.370 nan 0.000 0.491 245 L N 1.926 123.170 121.223 0.035 0.000 2.333 245 L HA 0.690 5.029 4.340 -0.001 0.000 0.263 245 L C 0.323 177.221 176.870 0.047 0.000 1.014 245 L CA -1.499 53.368 54.840 0.045 0.000 0.820 245 L CB 1.822 43.916 42.059 0.057 0.000 1.352 245 L HN 0.310 nan 8.230 nan 0.000 0.421 246 A N 1.535 124.389 122.820 0.057 0.000 2.425 246 A HA 0.391 4.710 4.320 -0.001 0.000 0.249 246 A C -1.855 175.767 177.584 0.064 0.000 1.084 246 A CA -0.940 51.133 52.037 0.059 0.000 0.781 246 A CB -0.012 19.032 19.000 0.072 0.000 1.019 246 A HN 0.624 nan 8.150 nan 0.000 0.490 247 P HA -0.200 nan 4.420 nan 0.000 0.216 247 P C 1.300 178.630 177.300 0.049 0.000 1.150 247 P CA 1.676 64.802 63.100 0.042 0.000 0.843 247 P CB 0.235 31.954 31.700 0.032 0.000 0.787 248 E N -0.532 119.715 120.200 0.080 0.000 2.153 248 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 248 E C 1.838 178.515 176.600 0.129 0.000 0.988 248 E CA 1.079 57.546 56.400 0.110 0.000 0.811 248 E CB -0.386 29.436 29.700 0.202 0.000 0.746 248 E HN 0.104 nan 8.360 nan 0.000 0.466 249 A N 1.054 123.967 122.820 0.154 0.000 1.930 249 A HA -0.082 4.237 4.320 -0.001 0.000 0.215 249 A C 2.086 179.723 177.584 0.088 0.000 1.176 249 A CA 0.855 52.992 52.037 0.167 0.000 0.632 249 A CB -0.256 18.837 19.000 0.155 0.000 0.819 249 A HN 0.144 nan 8.150 nan 0.000 0.445 250 R N -0.891 119.647 120.500 0.063 0.000 2.081 250 R HA -0.172 4.168 4.340 -0.001 0.000 0.235 250 R C 2.438 178.745 176.300 0.012 0.000 1.131 250 R CA 1.656 57.784 56.100 0.046 0.000 0.960 250 R CB -0.259 30.064 30.300 0.037 0.000 0.856 250 R HN 0.622 nan 8.270 nan 0.000 0.436 251 Q N 0.808 120.594 119.800 -0.022 0.000 2.046 251 Q HA -0.064 4.275 4.340 -0.001 0.000 0.200 251 Q C 1.996 177.914 176.000 -0.137 0.000 0.975 251 Q CA 1.951 57.709 55.803 -0.076 0.000 0.836 251 Q CB -0.240 28.438 28.738 -0.099 0.000 0.896 251 Q HN 0.319 nan 8.270 nan 0.000 0.428 252 A N 0.136 122.834 122.820 -0.203 0.000 1.940 252 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 252 A C 2.115 179.625 177.584 -0.125 0.000 1.176 252 A CA 1.551 53.396 52.037 -0.321 0.000 0.631 252 A CB -0.745 17.921 19.000 -0.557 0.000 0.814 252 A HN 0.493 nan 8.150 nan 0.000 0.446 253 I N -0.718 119.849 120.570 -0.005 0.000 2.252 253 I HA -0.227 3.943 4.170 -0.001 0.000 0.245 253 I C 2.501 178.664 176.117 0.077 0.000 1.102 253 I CA 1.711 63.065 61.300 0.090 0.000 1.385 253 I CB -0.202 37.892 38.000 0.156 0.000 1.064 253 I HN 0.385 nan 8.210 nan 0.000 0.414 254 K N 0.579 120.997 120.400 0.030 0.000 2.026 254 K HA -0.217 4.103 4.320 -0.001 0.000 0.208 254 K C 2.364 178.946 176.600 -0.029 0.000 1.048 254 K CA 1.880 58.176 56.287 0.016 0.000 0.929 254 K CB -0.141 32.356 32.500 -0.005 0.000 0.713 254 K HN 0.099 nan 8.250 nan 0.000 0.439 255 S N 0.615 116.267 115.700 -0.080 0.000 2.356 255 S HA -0.091 4.378 4.470 -0.001 0.000 0.223 255 S C 1.924 176.431 174.600 -0.154 0.000 1.032 255 S CA 1.206 59.334 58.200 -0.119 0.000 1.005 255 S CB -0.255 62.843 63.200 -0.169 0.000 0.867 255 S HN 0.362 nan 8.310 nan 0.000 0.449 256 L N 0.648 121.754 121.223 -0.194 0.000 2.131 256 L HA -0.086 4.254 4.340 -0.001 0.000 0.210 256 L C 2.687 179.252 176.870 -0.508 0.000 1.092 256 L CA 1.399 55.999 54.840 -0.400 0.000 0.759 256 L CB -0.838 40.967 42.059 -0.424 0.000 0.903 256 L HN 0.346 nan 8.230 nan 0.000 0.435 257 T N -1.115 113.354 114.554 -0.141 0.000 2.737 257 T HA -0.128 4.222 4.350 -0.001 0.000 0.265 257 T C 1.788 176.490 174.700 0.003 0.000 1.038 257 T CA 1.021 63.160 62.100 0.065 0.000 1.144 257 T CB -0.047 68.929 68.868 0.181 0.000 0.866 257 T HN 0.274 nan 8.240 nan 0.000 0.434 258 E N 1.397 121.580 120.200 -0.029 0.000 2.047 258 E HA -0.044 4.306 4.350 -0.001 0.000 0.191 258 E C 2.384 178.962 176.600 -0.036 0.000 0.987 258 E CA 1.054 57.442 56.400 -0.020 0.000 0.799 258 E CB -0.174 29.509 29.700 -0.027 0.000 0.752 258 E HN 0.478 nan 8.360 nan 0.000 0.449 259 R N -0.365 120.086 120.500 -0.083 0.000 2.210 259 R HA 0.079 4.418 4.340 -0.001 0.000 0.203 259 R C 1.950 178.188 176.300 -0.103 0.000 1.010 259 R CA 0.422 56.473 56.100 -0.081 0.000 1.008 259 R CB 0.173 30.416 30.300 -0.094 0.000 0.923 259 R HN 0.058 nan 8.270 nan 0.000 0.469 260 L N -2.085 119.029 121.223 -0.181 0.000 2.691 260 L HA 0.180 4.519 4.340 -0.001 0.000 0.185 260 L C 1.374 178.226 176.870 -0.029 0.000 1.081 260 L CA 0.659 55.398 54.840 -0.170 0.000 0.865 260 L CB -0.271 41.605 42.059 -0.304 0.000 1.370 260 L HN -0.148 nan 8.230 nan 0.000 0.488 261 Y N 0.676 120.996 120.300 0.035 0.000 2.128 261 Y HA -0.142 4.408 4.550 -0.001 0.000 0.284 261 Y C 2.567 178.479 175.900 0.019 0.000 1.154 261 Y CA 1.683 59.810 58.100 0.045 0.000 1.149 261 Y CB -1.094 37.416 38.460 0.083 0.000 0.976 261 Y HN 0.137 nan 8.280 nan 0.000 0.505 262 I N -1.025 119.637 120.570 0.154 0.000 2.286 262 I HA -0.056 4.114 4.170 -0.001 0.000 0.248 262 I C 1.246 177.381 176.117 0.030 0.000 1.115 262 I CA 1.352 62.700 61.300 0.080 0.000 1.392 262 I CB -0.460 37.577 38.000 0.062 0.000 1.065 262 I HN 0.296 nan 8.210 nan 0.000 0.418 263 G N -0.989 107.811 108.800 0.000 0.000 2.322 263 G HA2 0.512 4.472 3.960 -0.001 0.000 0.295 263 G HA3 0.512 4.472 3.960 -0.001 0.000 0.295 263 G C -1.130 173.635 174.900 -0.226 0.000 1.369 263 G CA -0.076 44.963 45.100 -0.101 0.000 0.821 263 G HN 0.380 nan 8.290 nan 0.000 0.536 264 G N -0.768 107.633 108.800 -0.665 0.000 2.325 264 G HA2 0.702 4.662 3.960 -0.001 0.000 0.297 264 G HA3 0.702 4.662 3.960 -0.001 0.000 0.297 264 G C -3.448 170.853 174.900 -0.998 0.000 1.448 264 G CA -0.046 44.631 45.100 -0.706 0.000 0.838 264 G HN 0.709 nan 8.290 nan 0.000 0.579 265 P HA 0.418 nan 4.420 nan 0.000 0.272 265 P C -0.537 176.671 177.300 -0.153 0.000 1.223 265 P CA -0.153 62.819 63.100 -0.213 0.000 0.784 265 P CB 1.215 32.937 31.700 0.037 0.000 0.923 266 L N 2.108 123.290 121.223 -0.069 0.000 2.305 266 L HA 0.429 4.768 4.340 -0.001 0.000 0.284 266 L C 0.420 177.297 176.870 0.012 0.000 1.013 266 L CA -0.247 54.581 54.840 -0.021 0.000 0.819 266 L CB 1.585 43.671 42.059 0.045 0.000 1.227 266 L HN 0.270 nan 8.230 nan 0.000 0.417 267 T N 1.509 116.047 114.554 -0.026 0.000 2.807 267 T HA 0.317 4.666 4.350 -0.001 0.000 0.279 267 T C -0.105 174.576 174.700 -0.032 0.000 0.993 267 T CA -0.835 61.252 62.100 -0.022 0.000 0.970 267 T CB 1.404 70.244 68.868 -0.046 0.000 0.950 267 T HN 0.638 nan 8.240 nan 0.000 0.441 268 N N 0.970 119.667 118.700 -0.004 0.000 2.327 268 N HA 0.090 4.829 4.740 -0.001 0.000 0.257 268 N C 1.450 176.950 175.510 -0.017 0.000 1.281 268 N CA -0.230 52.818 53.050 -0.003 0.000 0.942 268 N CB 0.122 38.616 38.487 0.012 0.000 1.199 268 N HN 0.450 nan 8.380 nan 0.000 0.532 269 S N -1.090 114.608 115.700 -0.003 0.000 2.442 269 S HA -0.110 4.359 4.470 -0.001 0.000 0.236 269 S C 1.043 175.638 174.600 -0.009 0.000 1.007 269 S CA 0.725 58.925 58.200 -0.000 0.000 0.965 269 S CB -0.433 62.779 63.200 0.020 0.000 0.773 269 S HN 0.638 nan 8.310 nan 0.000 0.504 270 K N 0.681 121.077 120.400 -0.006 0.000 2.444 270 K HA 0.264 4.584 4.320 -0.001 0.000 0.193 270 K C 1.224 177.816 176.600 -0.013 0.000 1.024 270 K CA 0.380 56.662 56.287 -0.008 0.000 1.077 270 K CB -0.082 32.417 32.500 -0.001 0.000 0.833 270 K HN 0.552 nan 8.250 nan 0.000 0.517 271 G N 1.776 110.565 108.800 -0.019 0.000 2.157 271 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.248 271 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.248 271 G C -0.292 174.604 174.900 -0.007 0.000 0.979 271 G CA -0.163 44.925 45.100 -0.022 0.000 0.650 271 G HN 0.346 nan 8.290 nan 0.000 0.529 272 Q N 0.156 119.958 119.800 0.003 0.000 2.235 272 Q HA 0.349 4.688 4.340 -0.001 0.000 0.250 272 Q C 0.291 176.308 176.000 0.029 0.000 0.909 272 Q CA -0.620 55.193 55.803 0.017 0.000 0.910 272 Q CB 1.097 29.848 28.738 0.020 0.000 1.223 272 Q HN 0.374 nan 8.270 nan 0.000 0.432 273 N N 1.602 120.326 118.700 0.040 0.000 2.420 273 N HA 0.013 4.753 4.740 -0.001 0.000 0.262 273 N C -0.248 175.316 175.510 0.091 0.000 1.144 273 N CA -0.354 52.732 53.050 0.060 0.000 0.952 273 N CB 0.586 39.110 38.487 0.063 0.000 1.081 273 N HN 0.623 nan 8.380 nan 0.000 0.480 274 C N 2.915 122.288 119.300 0.122 0.000 2.634 274 C HA 0.396 4.856 4.460 -0.001 0.000 0.268 274 C C 1.274 176.447 174.990 0.305 0.000 1.322 274 C CA 0.385 59.528 59.018 0.208 0.000 1.737 274 C CB -1.039 26.843 27.740 0.237 0.000 1.976 274 C HN 0.952 nan 8.230 nan 0.000 0.547 275 G N -1.359 107.552 108.800 0.185 0.000 2.373 275 G HA2 0.298 4.258 3.960 -0.001 0.000 0.250 275 G HA3 0.298 4.258 3.960 -0.001 0.000 0.250 275 G C -2.160 172.785 174.900 0.074 0.000 1.304 275 G CA -0.418 44.746 45.100 0.105 0.000 0.948 275 G HN 0.014 nan 8.290 nan 0.000 0.474 276 Y N 0.646 120.829 120.300 -0.194 0.000 2.470 276 Y HA 0.754 5.303 4.550 -0.001 0.000 0.341 276 Y C 0.035 175.829 175.900 -0.177 0.000 1.021 276 Y CA -0.830 57.185 58.100 -0.142 0.000 1.025 276 Y CB 2.038 40.427 38.460 -0.118 0.000 1.266 276 Y HN 0.701 nan 8.280 nan 0.000 0.448 277 R N 4.499 124.768 120.500 -0.384 0.000 2.407 277 R HA 0.568 4.907 4.340 -0.001 0.000 0.303 277 R C -0.698 175.426 176.300 -0.293 0.000 0.981 277 R CA -0.545 55.345 56.100 -0.349 0.000 0.905 277 R CB 0.894 31.064 30.300 -0.218 0.000 1.099 277 R HN 0.915 nan 8.270 nan 0.000 0.459 278 R N 3.201 123.509 120.500 -0.319 0.000 2.668 278 R HA 0.210 4.549 4.340 -0.001 0.000 0.435 278 R C -0.643 175.529 176.300 -0.213 0.000 1.059 278 R CA -0.314 55.694 56.100 -0.153 0.000 1.073 278 R CB 0.496 30.760 30.300 -0.060 0.000 1.401 278 R HN 0.793 nan 8.270 nan 0.000 0.590 279 C N -1.830 117.296 119.300 -0.291 0.000 3.321 279 C HA 0.628 5.088 4.460 -0.001 0.000 0.363 279 C C -0.240 174.689 174.990 -0.101 0.000 1.705 279 C CA -1.494 57.392 59.018 -0.220 0.000 1.298 279 C CB 1.263 28.801 27.740 -0.337 0.000 2.086 279 C HN 0.365 nan 8.230 nan 0.000 0.438 280 R N 1.208 121.695 120.500 -0.021 0.000 2.522 280 R HA 0.486 4.826 4.340 -0.001 0.000 0.284 280 R C 0.058 176.418 176.300 0.100 0.000 1.032 280 R CA 0.945 57.084 56.100 0.065 0.000 1.049 280 R CB -0.042 30.331 30.300 0.122 0.000 0.956 280 R HN 1.200 nan 8.270 nan 0.000 0.422 281 A N 3.459 126.353 122.820 0.124 0.000 2.366 281 A HA 0.239 4.559 4.320 -0.001 0.000 0.272 281 A C 1.009 178.695 177.584 0.171 0.000 1.135 281 A CA 0.057 52.188 52.037 0.156 0.000 0.804 281 A CB 0.547 19.647 19.000 0.168 0.000 1.064 281 A HN 1.022 nan 8.150 nan 0.000 0.499 282 S N 2.065 117.879 115.700 0.189 0.000 2.453 282 S HA 0.059 4.528 4.470 -0.001 0.000 0.231 282 S C 1.065 175.765 174.600 0.166 0.000 1.005 282 S CA 0.828 59.134 58.200 0.177 0.000 0.949 282 S CB -0.017 63.293 63.200 0.183 0.000 0.774 282 S HN 1.289 nan 8.310 nan 0.000 0.510 283 G N 1.936 110.856 108.800 0.200 0.000 4.637 283 G HA2 0.534 4.494 3.960 -0.001 0.000 0.308 283 G HA3 0.534 4.494 3.960 -0.001 0.000 0.308 283 G C -0.265 174.762 174.900 0.211 0.000 1.377 283 G CA -0.136 45.086 45.100 0.202 0.000 1.176 283 G HN 0.633 nan 8.290 nan 0.000 0.601 284 V N -2.132 117.890 119.914 0.180 0.000 3.074 284 V HA 0.563 4.682 4.120 -0.001 0.000 0.314 284 V C 1.300 177.475 176.094 0.135 0.000 1.117 284 V CA -0.984 61.441 62.300 0.208 0.000 1.014 284 V CB 1.711 33.729 31.823 0.325 0.000 1.057 284 V HN 0.098 nan 8.190 nan 0.000 0.438 285 L N 2.551 123.867 121.223 0.155 0.000 2.081 285 L HA -0.079 4.260 4.340 -0.001 0.000 0.212 285 L C 2.366 179.248 176.870 0.020 0.000 1.080 285 L CA 3.164 58.075 54.840 0.118 0.000 0.754 285 L CB -0.755 41.400 42.059 0.161 0.000 0.893 285 L HN 1.109 nan 8.230 nan 0.000 0.433 286 T N -5.912 108.571 114.554 -0.118 0.000 3.148 286 T HA -0.029 4.320 4.350 -0.001 0.000 0.253 286 T C 1.600 176.232 174.700 -0.113 0.000 1.134 286 T CA 0.816 62.788 62.100 -0.213 0.000 1.051 286 T CB -0.784 67.772 68.868 -0.520 0.000 0.959 286 T HN 0.305 nan 8.240 nan 0.000 0.525 287 T N 1.903 116.431 114.554 -0.044 0.000 2.684 287 T HA -0.158 4.192 4.350 -0.001 0.000 0.267 287 T C 2.195 176.916 174.700 0.034 0.000 1.036 287 T CA 1.749 63.863 62.100 0.024 0.000 1.148 287 T CB -0.611 68.297 68.868 0.067 0.000 0.863 287 T HN 0.541 nan 8.240 nan 0.000 0.436 288 S N -0.340 115.353 115.700 -0.012 0.000 2.345 288 S HA -0.134 4.335 4.470 -0.001 0.000 0.220 288 S C 2.441 177.053 174.600 0.020 0.000 1.031 288 S CA 1.297 59.477 58.200 -0.034 0.000 0.996 288 S CB -0.914 62.153 63.200 -0.222 0.000 0.882 288 S HN 0.676 nan 8.310 nan 0.000 0.445 289 C N 1.328 120.611 119.300 -0.028 0.000 2.429 289 C HA 0.109 4.568 4.460 -0.001 0.000 0.277 289 C C 2.792 177.827 174.990 0.074 0.000 1.262 289 C CA 1.078 60.096 59.018 0.000 0.000 1.733 289 C CB -1.781 25.916 27.740 -0.072 0.000 2.010 289 C HN 0.713 nan 8.230 nan 0.000 0.483 290 G N 0.425 109.279 108.800 0.090 0.000 2.421 290 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.216 290 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.216 290 G C 1.517 176.512 174.900 0.158 0.000 1.171 290 G CA 1.023 46.195 45.100 0.120 0.000 0.775 290 G HN 0.573 nan 8.290 nan 0.000 0.543 291 N N 0.401 119.205 118.700 0.173 0.000 2.166 291 N HA -0.071 4.668 4.740 -0.001 0.000 0.186 291 N C 2.407 177.996 175.510 0.131 0.000 1.019 291 N CA 1.575 54.761 53.050 0.227 0.000 0.856 291 N CB -0.679 37.858 38.487 0.085 0.000 0.993 291 N HN 0.247 nan 8.380 nan 0.000 0.426 292 T N 1.682 116.306 114.554 0.118 0.000 2.674 292 T HA -0.016 4.334 4.350 -0.001 0.000 0.265 292 T C 2.133 176.916 174.700 0.138 0.000 1.039 292 T CA 0.703 62.882 62.100 0.132 0.000 1.150 292 T CB -0.386 68.613 68.868 0.218 0.000 0.864 292 T HN 0.119 nan 8.240 nan 0.000 0.427 293 L N 0.670 121.951 121.223 0.097 0.000 2.012 293 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 293 L C 2.942 179.902 176.870 0.151 0.000 1.073 293 L CA 1.401 56.285 54.840 0.075 0.000 0.748 293 L CB -1.054 41.018 42.059 0.022 0.000 0.891 293 L HN 0.304 nan 8.230 nan 0.000 0.431 294 T N -1.551 113.114 114.554 0.186 0.000 2.821 294 T HA -0.217 4.133 4.350 -0.001 0.000 0.267 294 T C 1.987 176.881 174.700 0.325 0.000 1.046 294 T CA 1.372 63.612 62.100 0.234 0.000 1.139 294 T CB -0.404 68.622 68.868 0.264 0.000 0.871 294 T HN 0.471 nan 8.240 nan 0.000 0.454 295 C N 0.591 120.127 119.300 0.393 0.000 2.446 295 C HA -0.055 4.404 4.460 -0.001 0.000 0.277 295 C C 2.378 177.531 174.990 0.272 0.000 1.275 295 C CA 0.379 59.620 59.018 0.372 0.000 1.727 295 C CB -1.359 26.484 27.740 0.170 0.000 2.010 295 C HN 0.659 nan 8.230 nan 0.000 0.486 296 Y N 0.981 121.346 120.300 0.108 0.000 2.200 296 Y HA -0.090 4.460 4.550 -0.000 0.000 0.290 296 Y C 2.150 178.073 175.900 0.038 0.000 1.137 296 Y CA 2.035 60.176 58.100 0.068 0.000 1.163 296 Y CB -0.539 37.943 38.460 0.037 0.000 0.988 296 Y HN 0.338 nan 8.280 nan 0.000 0.518 297 L N 1.160 122.482 121.223 0.165 0.000 1.976 297 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 297 L C 2.116 178.922 176.870 -0.105 0.000 1.071 297 L CA 2.096 56.917 54.840 -0.031 0.000 0.746 297 L CB -0.950 41.061 42.059 -0.081 0.000 0.890 297 L HN 0.139 nan 8.230 nan 0.000 0.432 298 K N -0.423 119.977 120.400 -0.001 0.000 2.097 298 K HA -0.106 4.214 4.320 -0.001 0.000 0.206 298 K C 2.034 178.654 176.600 0.033 0.000 1.049 298 K CA 1.322 57.609 56.287 0.001 0.000 0.933 298 K CB -0.393 32.190 32.500 0.138 0.000 0.717 298 K HN 0.531 nan 8.250 nan 0.000 0.442 299 A N 1.014 123.858 122.820 0.039 0.000 1.872 299 A HA -0.097 4.223 4.320 -0.001 0.000 0.214 299 A C 2.237 179.855 177.584 0.057 0.000 1.187 299 A CA 1.498 53.589 52.037 0.089 0.000 0.614 299 A CB -0.493 18.636 19.000 0.214 0.000 0.826 299 A HN 0.144 nan 8.150 nan 0.000 0.442 300 S N 0.154 115.766 115.700 -0.147 0.000 2.359 300 S HA -0.138 4.331 4.470 -0.001 0.000 0.224 300 S C 2.298 176.847 174.600 -0.085 0.000 1.035 300 S CA 1.409 59.481 58.200 -0.213 0.000 1.018 300 S CB -0.507 62.416 63.200 -0.460 0.000 0.876 300 S HN 0.796 nan 8.310 nan 0.000 0.448 301 A N 1.426 124.209 122.820 -0.062 0.000 1.902 301 A HA 0.118 4.438 4.320 -0.001 0.000 0.217 301 A C 2.356 179.992 177.584 0.086 0.000 1.181 301 A CA 1.718 53.774 52.037 0.031 0.000 0.623 301 A CB -1.061 17.955 19.000 0.027 0.000 0.818 301 A HN 0.527 nan 8.150 nan 0.000 0.443 302 A N -1.059 121.820 122.820 0.099 0.000 1.930 302 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 302 A C 2.276 179.890 177.584 0.050 0.000 1.175 302 A CA 1.574 53.556 52.037 -0.092 0.000 0.627 302 A CB -1.260 17.304 19.000 -0.728 0.000 0.815 302 A HN 0.592 nan 8.150 nan 0.000 0.443 303 C N -0.743 118.692 119.300 0.225 0.000 2.413 303 C HA -0.126 4.333 4.460 -0.001 0.000 0.276 303 C C 2.901 177.909 174.990 0.029 0.000 1.248 303 C CA 1.211 60.377 59.018 0.247 0.000 1.742 303 C CB -1.316 26.521 27.740 0.162 0.000 2.017 303 C HN 0.612 nan 8.230 nan 0.000 0.481 304 R N 1.111 121.538 120.500 -0.122 0.000 2.073 304 R HA -0.106 4.233 4.340 -0.001 0.000 0.234 304 R C 2.439 178.474 176.300 -0.440 0.000 1.134 304 R CA 1.654 57.549 56.100 -0.341 0.000 0.952 304 R CB -0.668 29.289 30.300 -0.572 0.000 0.850 304 R HN 0.535 nan 8.270 nan 0.000 0.433 305 A N 1.328 123.893 122.820 -0.426 0.000 1.978 305 A HA -0.116 4.204 4.320 -0.001 0.000 0.220 305 A C 2.241 179.807 177.584 -0.029 0.000 1.170 305 A CA 1.797 53.755 52.037 -0.132 0.000 0.636 305 A CB -0.467 18.533 19.000 -0.001 0.000 0.810 305 A HN 0.421 nan 8.150 nan 0.000 0.448 306 A N -1.599 121.218 122.820 -0.004 0.000 2.218 306 A HA 0.297 4.617 4.320 -0.001 0.000 0.209 306 A C 0.985 178.585 177.584 0.027 0.000 1.168 306 A CA 0.789 52.851 52.037 0.041 0.000 0.804 306 A CB -0.326 18.751 19.000 0.128 0.000 0.834 306 A HN 0.483 nan 8.150 nan 0.000 0.482 307 K N -1.469 118.934 120.400 0.004 0.000 3.125 307 K HA -0.151 4.169 4.320 -0.001 0.000 0.268 307 K C -0.993 175.616 176.600 0.014 0.000 1.078 307 K CA 0.148 56.437 56.287 0.005 0.000 0.775 307 K CB -1.833 30.676 32.500 0.015 0.000 1.253 307 K HN 0.330 nan 8.250 nan 0.000 0.486 308 L N 1.684 122.922 121.223 0.026 0.000 2.380 308 L HA 0.070 4.409 4.340 -0.001 0.000 0.273 308 L C 0.889 177.765 176.870 0.011 0.000 1.138 308 L CA 0.621 55.480 54.840 0.030 0.000 0.832 308 L CB 0.806 42.902 42.059 0.062 0.000 1.124 308 L HN 0.104 nan 8.230 nan 0.000 0.454 309 Q N 2.568 122.369 119.800 0.002 0.000 2.279 309 Q HA 0.084 4.423 4.340 -0.001 0.000 0.256 309 Q C -0.274 175.713 176.000 -0.022 0.000 0.937 309 Q CA -0.385 55.412 55.803 -0.010 0.000 0.933 309 Q CB 0.764 29.493 28.738 -0.014 0.000 1.189 309 Q HN 0.502 nan 8.270 nan 0.000 0.417 310 D N 1.219 121.606 120.400 -0.020 0.000 2.890 310 D HA -0.184 4.456 4.640 -0.001 0.000 0.226 310 D C -1.077 175.203 176.300 -0.034 0.000 1.207 310 D CA 0.289 54.273 54.000 -0.027 0.000 0.764 310 D CB -0.782 39.994 40.800 -0.040 0.000 0.948 310 D HN 0.483 nan 8.370 nan 0.000 0.404 311 C N 1.222 120.510 119.300 -0.021 0.000 2.536 311 C HA 0.690 5.149 4.460 -0.001 0.000 0.396 311 C C 1.124 176.107 174.990 -0.012 0.000 1.279 311 C CA -0.263 58.739 59.018 -0.027 0.000 2.148 311 C CB 1.041 28.771 27.740 -0.017 0.000 2.584 311 C HN 0.555 nan 8.230 nan 0.000 0.579 315 V N 3.655 123.558 119.914 -0.019 0.000 2.540 315 V HA 0.656 4.776 4.120 -0.001 0.000 0.302 315 V C -0.469 175.472 176.094 -0.255 0.000 1.035 315 V CA -0.577 61.694 62.300 -0.049 0.000 0.873 315 V CB 2.076 33.965 31.823 0.110 0.000 0.992 315 V HN 0.789 nan 8.190 nan 0.000 0.428 316 N N 3.434 121.933 118.700 -0.334 0.000 2.664 316 N HA 0.605 5.345 4.740 -0.001 0.000 0.257 316 N C 0.564 175.954 175.510 -0.200 0.000 1.108 316 N CA 0.561 53.195 53.050 -0.694 0.000 0.822 316 N CB 1.705 39.656 38.487 -0.893 0.000 1.199 316 N HN 1.101 nan 8.380 nan 0.000 0.529 317 G N 2.318 111.158 108.800 0.066 0.000 2.596 317 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.304 317 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.304 317 G C 0.529 175.296 174.900 -0.222 0.000 1.189 317 G CA 0.749 45.872 45.100 0.038 0.000 0.986 317 G HN 0.614 nan 8.290 nan 0.000 0.548 318 D N 1.266 121.435 120.400 -0.384 0.000 2.340 318 D HA 0.105 4.744 4.640 -0.001 0.000 0.220 318 D C 0.357 176.501 176.300 -0.261 0.000 1.039 318 D CA 0.797 54.358 54.000 -0.731 0.000 0.866 318 D CB -0.074 40.228 40.800 -0.830 0.000 0.913 318 D HN 0.425 nan 8.370 nan 0.000 0.523 319 D N 0.611 120.931 120.400 -0.133 0.000 2.249 319 D HA 0.329 4.969 4.640 -0.001 0.000 0.246 319 D C -0.994 175.294 176.300 -0.021 0.000 1.114 319 D CA -0.553 53.420 54.000 -0.045 0.000 0.854 319 D CB 1.426 42.196 40.800 -0.050 0.000 1.132 319 D HN 0.038 nan 8.370 nan 0.000 0.461 320 L N 4.233 125.489 121.223 0.054 0.000 2.401 320 L HA 0.568 4.908 4.340 -0.001 0.000 0.266 320 L C -1.703 175.174 176.870 0.011 0.000 0.991 320 L CA -0.609 54.271 54.840 0.067 0.000 0.818 320 L CB 2.106 44.279 42.059 0.190 0.000 1.321 320 L HN 0.168 nan 8.230 nan 0.000 0.413 321 V N 4.737 124.610 119.914 -0.068 0.000 2.760 321 V HA 0.686 4.805 4.120 -0.001 0.000 0.309 321 V C -1.163 174.760 176.094 -0.286 0.000 1.077 321 V CA -0.514 61.680 62.300 -0.177 0.000 0.910 321 V CB 2.528 34.292 31.823 -0.098 0.000 1.008 321 V HN 0.557 nan 8.190 nan 0.000 0.424 322 V N 6.431 125.981 119.914 -0.607 0.000 2.531 322 V HA 0.585 4.704 4.120 -0.001 0.000 0.301 322 V C -0.565 175.259 176.094 -0.450 0.000 1.034 322 V CA -0.446 61.482 62.300 -0.620 0.000 0.865 322 V CB 1.948 33.129 31.823 -1.071 0.000 0.995 322 V HN 0.678 nan 8.190 nan 0.000 0.424 323 I N 5.091 125.541 120.570 -0.200 0.000 2.436 323 I HA 0.694 4.864 4.170 -0.001 0.000 0.289 323 I C -0.029 176.016 176.117 -0.120 0.000 1.010 323 I CA -0.324 60.918 61.300 -0.097 0.000 1.098 323 I CB 1.671 39.673 38.000 0.003 0.000 1.266 323 I HN 0.880 nan 8.210 nan 0.000 0.434 324 C N 2.224 121.446 119.300 -0.128 0.000 3.336 324 C HA 0.662 5.122 4.460 -0.001 0.000 0.352 324 C C -0.290 174.614 174.990 -0.144 0.000 1.567 324 C CA -0.899 58.055 59.018 -0.107 0.000 1.328 324 C CB 1.400 29.115 27.740 -0.041 0.000 1.922 324 C HN 0.723 nan 8.230 nan 0.000 0.439 325 E N 1.461 121.600 120.200 -0.101 0.000 2.129 325 E HA 0.425 4.774 4.350 -0.001 0.000 0.283 325 E C 0.229 176.794 176.600 -0.058 0.000 1.080 325 E CA 0.491 56.832 56.400 -0.099 0.000 0.867 325 E CB 0.821 30.478 29.700 -0.071 0.000 1.056 325 E HN 0.796 nan 8.360 nan 0.000 0.404 326 S N 3.127 118.796 115.700 -0.052 0.000 2.568 326 S HA 0.350 4.819 4.470 -0.001 0.000 0.282 326 S C 0.334 174.941 174.600 0.012 0.000 1.338 326 S CA 0.285 58.497 58.200 0.021 0.000 1.045 326 S CB 0.611 63.873 63.200 0.103 0.000 0.873 326 S HN 0.589 nan 8.310 nan 0.000 0.516 327 A N 3.000 125.838 122.820 0.029 0.000 2.610 327 A HA 0.662 4.981 4.320 -0.001 0.000 0.291 327 A C 0.703 178.296 177.584 0.015 0.000 1.116 327 A CA 0.192 52.236 52.037 0.013 0.000 0.963 327 A CB -0.621 18.385 19.000 0.010 0.000 1.220 327 A HN 1.917 nan 8.150 nan 0.000 0.530 328 G N -1.616 107.199 108.800 0.025 0.000 2.674 328 G HA2 0.138 4.098 3.960 -0.001 0.000 0.686 328 G HA3 0.138 4.098 3.960 -0.001 0.000 0.686 328 G C 0.586 175.510 174.900 0.040 0.000 1.195 328 G CA -0.050 45.053 45.100 0.005 0.000 0.776 328 G HN 1.176 nan 8.290 nan 0.000 0.654 329 V N 1.325 121.241 119.914 0.003 0.000 2.255 329 V HA -0.194 3.925 4.120 -0.001 0.000 0.247 329 V C 2.656 178.790 176.094 0.066 0.000 1.051 329 V CA 3.102 65.438 62.300 0.060 0.000 1.018 329 V CB -0.368 31.435 31.823 -0.033 0.000 0.641 329 V HN 0.794 nan 8.190 nan 0.000 0.445 330 Q N -0.501 119.315 119.800 0.026 0.000 2.124 330 Q HA -0.229 4.110 4.340 -0.001 0.000 0.202 330 Q C 2.212 178.225 176.000 0.021 0.000 0.977 330 Q CA 2.116 57.931 55.803 0.021 0.000 0.850 330 Q CB -0.365 28.377 28.738 0.008 0.000 0.901 330 Q HN 0.762 nan 8.270 nan 0.000 0.429 331 E N 1.042 121.255 120.200 0.022 0.000 2.076 331 E HA -0.119 4.231 4.350 -0.001 0.000 0.190 331 E C 1.319 177.932 176.600 0.021 0.000 0.979 331 E CA 0.962 57.373 56.400 0.017 0.000 0.807 331 E CB -0.074 29.634 29.700 0.014 0.000 0.761 331 E HN 0.180 nan 8.360 nan 0.000 0.454 332 D N 0.029 120.456 120.400 0.046 0.000 2.123 332 D HA -0.155 4.485 4.640 -0.001 0.000 0.196 332 D C 1.696 177.995 176.300 -0.002 0.000 0.992 332 D CA 1.725 55.751 54.000 0.044 0.000 0.833 332 D CB -0.440 40.440 40.800 0.134 0.000 0.954 332 D HN 0.304 nan 8.370 nan 0.000 0.455 333 A N 0.658 123.489 122.820 0.018 0.000 1.969 333 A HA 0.018 4.338 4.320 -0.001 0.000 0.218 333 A C 2.266 179.835 177.584 -0.025 0.000 1.169 333 A CA 1.989 54.021 52.037 -0.009 0.000 0.635 333 A CB -0.560 18.450 19.000 0.017 0.000 0.810 333 A HN 0.235 nan 8.150 nan 0.000 0.445 334 A N -0.453 122.360 122.820 -0.011 0.000 1.873 334 A HA -0.045 4.275 4.320 -0.001 0.000 0.215 334 A C 2.434 180.007 177.584 -0.018 0.000 1.186 334 A CA 1.952 53.983 52.037 -0.010 0.000 0.616 334 A CB -0.938 18.061 19.000 -0.002 0.000 0.823 334 A HN 0.439 nan 8.150 nan 0.000 0.442 335 S N -0.160 115.527 115.700 -0.022 0.000 2.370 335 S HA -0.126 4.344 4.470 -0.001 0.000 0.226 335 S C 1.847 176.418 174.600 -0.048 0.000 1.033 335 S CA 1.334 59.522 58.200 -0.020 0.000 1.011 335 S CB -0.449 62.741 63.200 -0.017 0.000 0.852 335 S HN 0.484 nan 8.310 nan 0.000 0.457 336 L N 0.770 121.911 121.223 -0.137 0.000 2.046 336 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 336 L C 2.747 179.572 176.870 -0.076 0.000 1.077 336 L CA 1.272 55.955 54.840 -0.262 0.000 0.747 336 L CB -0.260 41.570 42.059 -0.381 0.000 0.896 336 L HN 0.265 nan 8.230 nan 0.000 0.432 337 R N -0.543 119.933 120.500 -0.040 0.000 2.081 337 R HA -0.165 4.174 4.340 -0.001 0.000 0.235 337 R C 2.258 178.564 176.300 0.009 0.000 1.131 337 R CA 1.441 57.539 56.100 -0.003 0.000 0.960 337 R CB -0.190 30.104 30.300 -0.009 0.000 0.856 337 R HN 0.410 nan 8.270 nan 0.000 0.436 338 A N -0.057 122.768 122.820 0.008 0.000 1.930 338 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 338 A C 1.941 179.525 177.584 0.000 0.000 1.175 338 A CA 1.048 53.084 52.037 -0.001 0.000 0.627 338 A CB -0.677 18.327 19.000 0.006 0.000 0.815 338 A HN 0.488 nan 8.150 nan 0.000 0.443 339 F N 1.446 121.327 119.950 -0.114 0.000 2.102 339 F HA -0.176 4.350 4.527 -0.001 0.000 0.298 339 F C 2.448 178.160 175.800 -0.147 0.000 1.105 339 F CA 2.354 60.277 58.000 -0.129 0.000 1.239 339 F CB -0.525 38.379 39.000 -0.160 0.000 0.991 339 F HN 0.209 nan 8.300 nan 0.000 0.474 340 T N -0.078 114.526 114.554 0.083 0.000 2.746 340 T HA -0.194 4.155 4.350 -0.001 0.000 0.267 340 T C 1.702 176.367 174.700 -0.058 0.000 1.039 340 T CA 1.741 63.886 62.100 0.074 0.000 1.142 340 T CB -0.359 68.637 68.868 0.213 0.000 0.866 340 T HN 0.380 nan 8.240 nan 0.000 0.444 341 E N 1.070 121.223 120.200 -0.078 0.000 2.110 341 E HA 0.065 4.415 4.350 -0.001 0.000 0.193 341 E C 1.326 177.788 176.600 -0.231 0.000 0.988 341 E CA 0.558 56.890 56.400 -0.114 0.000 0.804 341 E CB -0.103 29.546 29.700 -0.086 0.000 0.745 341 E HN 0.506 nan 8.360 nan 0.000 0.458 345 R N 0.628 120.991 120.500 -0.229 0.000 2.120 345 R HA -0.003 4.337 4.340 -0.001 0.000 0.234 345 R C 1.207 177.425 176.300 -0.137 0.000 1.123 345 R CA 1.365 57.326 56.100 -0.231 0.000 0.975 345 R CB -0.272 29.811 30.300 -0.362 0.000 0.866 345 R HN 0.399 nan 8.270 nan 0.000 0.446 346 Y N -0.017 120.217 120.300 -0.111 0.000 2.502 346 Y HA 0.093 4.643 4.550 -0.000 0.000 0.295 346 Y C 0.904 176.744 175.900 -0.100 0.000 1.193 346 Y CA -0.333 57.688 58.100 -0.132 0.000 1.295 346 Y CB -0.127 38.277 38.460 -0.092 0.000 1.059 346 Y HN -0.040 nan 8.280 nan 0.000 0.514 347 S N -0.308 115.424 115.700 0.053 0.000 3.990 347 S HA -0.105 4.365 4.470 -0.001 0.000 0.346 347 S C 0.002 174.627 174.600 0.042 0.000 1.030 347 S CA 0.476 58.696 58.200 0.033 0.000 1.011 347 S CB -1.439 61.763 63.200 0.003 0.000 0.863 347 S HN 0.687 nan 8.310 nan 0.000 0.485 348 A N 1.565 124.433 122.820 0.080 0.000 3.415 348 A HA 0.561 4.881 4.320 -0.001 0.000 0.244 348 A C -2.103 175.616 177.584 0.225 0.000 0.988 348 A CA -0.625 51.498 52.037 0.143 0.000 0.991 348 A CB 0.756 19.880 19.000 0.206 0.000 1.240 348 A HN 0.454 nan 8.150 nan 0.000 0.541 349 P HA 0.251 nan 4.420 nan 0.000 0.269 349 P C -2.892 174.484 177.300 0.126 0.000 1.215 349 P CA -0.760 62.409 63.100 0.115 0.000 0.780 349 P CB 0.525 32.227 31.700 0.003 0.000 0.898 350 P HA 0.124 nan 4.420 nan 0.000 0.281 350 P C 0.614 177.861 177.300 -0.087 0.000 1.249 350 P CA -0.047 62.980 63.100 -0.121 0.000 0.810 350 P CB 1.066 32.692 31.700 -0.123 0.000 1.008 351 G N 1.643 110.375 108.800 -0.114 0.000 2.524 351 G HA2 0.031 3.990 3.960 -0.001 0.000 0.210 351 G HA3 0.031 3.990 3.960 -0.001 0.000 0.210 351 G C -0.090 174.774 174.900 -0.061 0.000 1.187 351 G CA 0.218 45.283 45.100 -0.060 0.000 0.825 351 G HN 0.461 nan 8.290 nan 0.000 0.558 352 D N 1.062 121.414 120.400 -0.081 0.000 2.192 352 D HA 0.409 5.048 4.640 -0.001 0.000 0.246 352 D C -2.657 173.605 176.300 -0.063 0.000 1.042 352 D CA -1.314 52.654 54.000 -0.054 0.000 0.847 352 D CB 1.838 42.615 40.800 -0.038 0.000 1.186 352 D HN -0.034 nan 8.370 nan 0.000 0.461 353 P HA 0.135 nan 4.420 nan 0.000 0.267 353 P C -2.208 175.100 177.300 0.013 0.000 1.209 353 P CA -0.768 62.332 63.100 -0.000 0.000 0.763 353 P CB -0.094 31.610 31.700 0.007 0.000 0.816 354 P HA 0.080 nan 4.420 nan 0.000 0.272 354 P C -1.071 176.242 177.300 0.021 0.000 1.223 354 P CA -0.109 63.041 63.100 0.083 0.000 0.784 354 P CB 0.746 32.567 31.700 0.201 0.000 0.923 355 Q N 1.562 121.384 119.800 0.037 0.000 2.331 355 Q HA 0.600 4.939 4.340 -0.001 0.000 0.272 355 Q C -2.855 173.156 176.000 0.018 0.000 1.062 355 Q CA -2.274 53.535 55.803 0.011 0.000 0.806 355 Q CB 2.080 30.834 28.738 0.026 0.000 1.312 355 Q HN 0.253 nan 8.270 nan 0.000 0.431 356 P HA 0.126 nan 4.420 nan 0.000 0.275 356 P C -0.898 176.315 177.300 -0.144 0.000 1.227 356 P CA 0.082 63.130 63.100 -0.088 0.000 0.781 356 P CB 0.983 32.613 31.700 -0.118 0.000 0.906 357 E N 2.075 122.143 120.200 -0.220 0.000 2.266 357 E HA 0.215 4.565 4.350 -0.001 0.000 0.268 357 E C -0.587 175.850 176.600 -0.271 0.000 0.879 357 E CA -0.486 55.824 56.400 -0.150 0.000 0.762 357 E CB 1.525 31.215 29.700 -0.016 0.000 1.199 357 E HN 0.443 nan 8.360 nan 0.000 0.422 358 Y N -0.125 120.314 120.300 0.233 0.000 2.584 358 Y HA 0.173 4.722 4.550 -0.001 0.000 0.254 358 Y C 0.262 176.395 175.900 0.388 0.000 1.177 358 Y CA -0.355 57.941 58.100 0.327 0.000 1.216 358 Y CB 0.979 39.541 38.460 0.171 0.000 1.172 358 Y HN 0.238 nan 8.280 nan 0.000 0.529 359 D N 0.500 121.048 120.400 0.247 0.000 2.505 359 D HA 0.106 4.745 4.640 -0.001 0.000 0.250 359 D C 0.723 176.815 176.300 -0.345 0.000 1.164 359 D CA -0.308 53.703 54.000 0.019 0.000 0.870 359 D CB 1.652 42.471 40.800 0.032 0.000 1.160 359 D HN 0.143 nan 8.370 nan 0.000 0.549 360 L N 4.476 125.168 121.223 -0.884 0.000 2.043 360 L HA -0.144 4.196 4.340 -0.001 0.000 0.212 360 L C 1.624 178.168 176.870 -0.542 0.000 1.075 360 L CA 2.025 56.173 54.840 -1.154 0.000 0.752 360 L CB -0.288 40.860 42.059 -1.519 0.000 0.891 360 L HN 0.501 nan 8.230 nan 0.000 0.432 361 E N -0.704 119.281 120.200 -0.359 0.000 2.333 361 E HA -0.170 4.179 4.350 -0.001 0.000 0.198 361 E C 1.972 178.483 176.600 -0.148 0.000 1.007 361 E CA 0.855 57.131 56.400 -0.206 0.000 0.845 361 E CB -0.207 29.420 29.700 -0.122 0.000 0.766 361 E HN 0.551 nan 8.360 nan 0.000 0.507 362 L N 0.887 122.022 121.223 -0.145 0.000 2.591 362 L HA 0.158 4.498 4.340 -0.001 0.000 0.228 362 L C 0.560 177.382 176.870 -0.078 0.000 1.133 362 L CA -0.050 54.741 54.840 -0.082 0.000 0.880 362 L CB 0.182 42.217 42.059 -0.040 0.000 1.033 362 L HN 0.036 nan 8.230 nan 0.000 0.450 363 I N -0.128 120.368 120.570 -0.123 0.000 2.321 363 I HA 0.139 4.308 4.170 -0.001 0.000 0.291 363 I C -0.034 176.041 176.117 -0.071 0.000 0.998 363 I CA -0.023 61.223 61.300 -0.090 0.000 1.227 363 I CB 1.544 39.470 38.000 -0.125 0.000 1.368 363 I HN -0.113 nan 8.210 nan 0.000 0.466 364 T N 4.905 119.438 114.554 -0.035 0.000 2.749 364 T HA 0.435 4.785 4.350 -0.001 0.000 0.287 364 T C -0.168 174.528 174.700 -0.006 0.000 0.970 364 T CA -0.606 61.483 62.100 -0.019 0.000 0.980 364 T CB 0.849 69.711 68.868 -0.009 0.000 0.924 364 T HN 0.713 nan 8.240 nan 0.000 0.456 365 S N 0.846 116.544 115.700 -0.003 0.000 2.548 365 S HA 0.443 4.912 4.470 -0.001 0.000 0.276 365 S C 0.134 174.746 174.600 0.020 0.000 1.129 365 S CA -0.813 57.388 58.200 0.000 0.000 0.931 365 S CB 0.659 63.846 63.200 -0.023 0.000 1.068 365 S HN 0.893 nan 8.310 nan 0.000 0.480 366 C N 2.077 121.392 119.300 0.026 0.000 4.454 366 C HA -0.170 4.290 4.460 -0.001 0.000 0.298 366 C C 1.412 176.466 174.990 0.107 0.000 1.384 366 C CA 0.668 59.719 59.018 0.056 0.000 2.002 366 C CB -3.248 24.516 27.740 0.039 0.000 1.249 366 C HN 1.669 nan 8.230 nan 0.000 0.783 367 S N -1.774 113.974 115.700 0.080 0.000 3.270 367 S HA -0.207 4.262 4.470 -0.001 0.000 0.293 367 S C 0.374 175.020 174.600 0.077 0.000 1.278 367 S CA 1.390 59.635 58.200 0.074 0.000 1.038 367 S CB -0.829 62.427 63.200 0.094 0.000 1.218 367 S HN 1.037 nan 8.310 nan 0.000 0.659 368 S N 1.715 117.473 115.700 0.096 0.000 2.715 368 S HA 0.809 5.279 4.470 -0.001 0.000 0.307 368 S C -0.315 174.309 174.600 0.040 0.000 1.119 368 S CA -0.827 57.442 58.200 0.115 0.000 0.937 368 S CB 1.767 65.107 63.200 0.233 0.000 1.150 368 S HN 0.615 nan 8.310 nan 0.000 0.521 369 N N -1.001 117.711 118.700 0.020 0.000 2.591 369 N HA 0.384 5.123 4.740 -0.001 0.000 0.263 369 N C -1.757 173.696 175.510 -0.094 0.000 1.308 369 N CA -0.562 52.458 53.050 -0.050 0.000 0.837 369 N CB 1.077 39.527 38.487 -0.062 0.000 1.548 369 N HN 0.343 nan 8.380 nan 0.000 0.493 370 V N 0.472 120.298 119.914 -0.148 0.000 2.607 370 V HA 0.498 4.618 4.120 -0.001 0.000 0.289 370 V C 0.377 176.344 176.094 -0.211 0.000 1.053 370 V CA -0.004 62.182 62.300 -0.190 0.000 0.996 370 V CB 1.091 32.788 31.823 -0.211 0.000 0.995 370 V HN 0.847 nan 8.190 nan 0.000 0.476 371 S N 2.400 117.896 115.700 -0.340 0.000 2.685 371 S HA 0.792 5.261 4.470 -0.001 0.000 0.282 371 S C -1.380 173.099 174.600 -0.203 0.000 1.159 371 S CA -0.439 57.587 58.200 -0.291 0.000 0.833 371 S CB 2.060 65.040 63.200 -0.368 0.000 1.151 371 S HN 0.691 nan 8.310 nan 0.000 0.485 372 V N 1.180 121.077 119.914 -0.029 0.000 2.789 372 V HA 0.981 5.100 4.120 -0.001 0.000 0.311 372 V C -0.251 175.809 176.094 -0.057 0.000 1.073 372 V CA 0.278 62.512 62.300 -0.110 0.000 0.921 372 V CB 1.176 32.789 31.823 -0.350 0.000 1.009 372 V HN 1.260 nan 8.190 nan 0.000 0.426 373 A N 4.901 127.554 122.820 -0.279 0.000 2.681 373 A HA 0.904 5.224 4.320 -0.001 0.000 0.278 373 A C -1.138 175.967 177.584 -0.797 0.000 1.272 373 A CA -0.564 51.157 52.037 -0.527 0.000 0.750 373 A CB 1.678 20.182 19.000 -0.825 0.000 1.351 373 A HN 0.944 nan 8.150 nan 0.000 0.514 374 H N 0.481 119.209 119.070 -0.571 0.000 2.759 374 H HA 0.313 4.869 4.556 -0.001 0.000 0.354 374 H C -1.199 173.776 175.328 -0.589 0.000 1.074 374 H CA -0.526 55.190 56.048 -0.553 0.000 1.226 374 H CB 1.784 31.176 29.762 -0.615 0.000 1.648 374 H HN 0.912 nan 8.280 nan 0.000 0.529 375 D N 1.263 121.540 120.400 -0.205 0.000 2.414 375 D HA 0.128 4.768 4.640 -0.001 0.000 0.259 375 D C 1.365 177.709 176.300 0.073 0.000 1.269 375 D CA -0.239 53.711 54.000 -0.084 0.000 1.028 375 D CB 0.400 41.168 40.800 -0.053 0.000 1.093 375 D HN 0.454 nan 8.370 nan 0.000 0.545 376 A N 0.001 122.893 122.820 0.119 0.000 1.917 376 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 376 A C 2.154 179.818 177.584 0.133 0.000 1.182 376 A CA 2.311 54.438 52.037 0.150 0.000 0.633 376 A CB -1.085 17.965 19.000 0.083 0.000 0.819 376 A HN 0.524 nan 8.150 nan 0.000 0.448 377 S N -1.710 114.039 115.700 0.081 0.000 2.555 377 S HA 0.307 4.777 4.470 -0.001 0.000 0.230 377 S C 1.528 176.167 174.600 0.065 0.000 0.978 377 S CA 1.077 59.313 58.200 0.059 0.000 0.934 377 S CB -0.121 63.099 63.200 0.035 0.000 0.766 377 S HN 1.721 nan 8.310 nan 0.000 0.533 378 G N 1.664 110.520 108.800 0.093 0.000 2.175 378 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.244 378 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.244 378 G C 0.117 175.081 174.900 0.107 0.000 0.982 378 G CA 0.255 45.396 45.100 0.068 0.000 0.641 378 G HN 0.526 nan 8.290 nan 0.000 0.527 379 K N 0.997 121.431 120.400 0.058 0.000 2.382 379 K HA 0.360 4.679 4.320 -0.001 0.000 0.275 379 K C 0.761 177.336 176.600 -0.043 0.000 1.009 379 K CA -0.505 55.797 56.287 0.025 0.000 0.970 379 K CB 0.250 32.744 32.500 -0.011 0.000 0.934 379 K HN 0.310 nan 8.250 nan 0.000 0.479 380 R N 1.953 122.381 120.500 -0.121 0.000 2.442 380 R HA 0.134 4.473 4.340 -0.001 0.000 0.291 380 R C -0.666 175.379 176.300 -0.425 0.000 1.069 380 R CA -0.230 55.615 56.100 -0.424 0.000 1.022 380 R CB 1.122 31.195 30.300 -0.378 0.000 0.976 380 R HN 0.357 nan 8.270 nan 0.000 0.443 381 V N 5.317 124.914 119.914 -0.529 0.000 2.577 381 V HA 0.368 4.488 4.120 -0.001 0.000 0.303 381 V C -1.475 174.408 176.094 -0.352 0.000 1.042 381 V CA -0.743 61.346 62.300 -0.350 0.000 0.872 381 V CB 1.349 33.046 31.823 -0.210 0.000 0.998 381 V HN 0.605 nan 8.190 nan 0.000 0.423 382 Y N 7.321 127.606 120.300 -0.025 0.000 2.310 382 Y HA 0.717 5.267 4.550 -0.001 0.000 0.326 382 Y C 0.045 175.995 175.900 0.084 0.000 1.151 382 Y CA 0.045 58.136 58.100 -0.014 0.000 1.195 382 Y CB 1.379 39.789 38.460 -0.084 0.000 1.210 382 Y HN 0.811 nan 8.280 nan 0.000 0.483 383 Y N 0.101 120.451 120.300 0.083 0.000 2.670 383 Y HA 0.669 5.218 4.550 -0.001 0.000 0.334 383 Y C -2.266 173.690 175.900 0.092 0.000 1.185 383 Y CA -2.012 56.123 58.100 0.058 0.000 1.053 383 Y CB 0.639 39.108 38.460 0.016 0.000 1.298 383 Y HN 0.447 nan 8.280 nan 0.000 0.459 384 L N 2.183 123.447 121.223 0.070 0.000 2.289 384 L HA 0.739 5.078 4.340 -0.001 0.000 0.285 384 L C 0.044 177.092 176.870 0.298 0.000 1.049 384 L CA 0.459 55.348 54.840 0.080 0.000 0.804 384 L CB 1.253 43.393 42.059 0.136 0.000 1.195 384 L HN 1.032 nan 8.230 nan 0.000 0.428 385 T N 4.479 119.164 114.554 0.218 0.000 2.716 385 T HA 0.881 5.230 4.350 -0.001 0.000 0.286 385 T C -1.208 173.609 174.700 0.195 0.000 1.052 385 T CA -0.615 61.696 62.100 0.352 0.000 1.024 385 T CB 1.165 70.220 68.868 0.311 0.000 1.349 385 T HN 0.827 nan 8.240 nan 0.000 0.525 386 R N 0.521 121.060 120.500 0.064 0.000 2.712 386 R HA 0.441 4.780 4.340 -0.001 0.000 0.272 386 R C -1.607 174.501 176.300 -0.321 0.000 1.032 386 R CA -0.987 55.031 56.100 -0.138 0.000 0.874 386 R CB 0.428 30.578 30.300 -0.251 0.000 1.256 386 R HN 0.536 nan 8.270 nan 0.000 0.468 387 D N 2.280 122.508 120.400 -0.287 0.000 2.450 387 D HA 0.054 4.694 4.640 -0.001 0.000 0.247 387 D C -1.410 174.537 176.300 -0.587 0.000 1.162 387 D CA -1.293 52.502 54.000 -0.341 0.000 0.879 387 D CB 1.287 41.970 40.800 -0.195 0.000 1.163 387 D HN 0.388 nan 8.370 nan 0.000 0.472 388 P HA 0.028 nan 4.420 nan 0.000 0.257 388 P C 1.055 178.061 177.300 -0.491 0.000 1.281 388 P CA 0.016 62.509 63.100 -1.013 0.000 0.826 388 P CB 0.292 31.172 31.700 -1.367 0.000 1.237 389 T N -0.103 114.268 114.554 -0.306 0.000 2.635 389 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 389 T C 1.731 176.364 174.700 -0.112 0.000 1.040 389 T CA 2.412 64.420 62.100 -0.153 0.000 1.156 389 T CB -1.038 67.783 68.868 -0.079 0.000 0.863 389 T HN 0.219 nan 8.240 nan 0.000 0.430 390 T N 2.021 116.506 114.554 -0.115 0.000 2.777 390 T HA -0.031 4.318 4.350 -0.001 0.000 0.266 390 T C -0.554 174.086 174.700 -0.100 0.000 1.040 390 T CA 1.022 63.071 62.100 -0.085 0.000 1.141 390 T CB -1.174 67.665 68.868 -0.049 0.000 0.868 390 T HN 0.333 nan 8.240 nan 0.000 0.444 391 P HA 0.026 nan 4.420 nan 0.000 0.216 391 P C 1.413 178.729 177.300 0.027 0.000 1.150 391 P CA 0.862 63.940 63.100 -0.037 0.000 0.837 391 P CB -0.150 31.493 31.700 -0.095 0.000 0.786 392 L N -1.493 119.705 121.223 -0.042 0.000 2.131 392 L HA -0.067 4.273 4.340 -0.001 0.000 0.206 392 L C 2.450 179.345 176.870 0.041 0.000 1.087 392 L CA 1.212 56.055 54.840 0.005 0.000 0.767 392 L CB -1.123 40.904 42.059 -0.054 0.000 0.917 392 L HN -0.062 nan 8.230 nan 0.000 0.441 393 A N 0.561 123.393 122.820 0.021 0.000 1.908 393 A HA -0.212 4.108 4.320 -0.001 0.000 0.218 393 A C 2.385 180.026 177.584 0.095 0.000 1.181 393 A CA 1.562 53.631 52.037 0.054 0.000 0.627 393 A CB -0.449 18.558 19.000 0.013 0.000 0.818 393 A HN 0.338 nan 8.150 nan 0.000 0.445 394 R N -0.588 119.942 120.500 0.050 0.000 2.092 394 R HA 0.015 4.355 4.340 -0.001 0.000 0.231 394 R C 2.438 178.884 176.300 0.243 0.000 1.119 394 R CA 1.011 57.165 56.100 0.089 0.000 0.970 394 R CB -0.447 29.847 30.300 -0.010 0.000 0.864 394 R HN 0.501 nan 8.270 nan 0.000 0.440 395 A N 1.580 124.558 122.820 0.264 0.000 1.933 395 A HA -0.106 4.214 4.320 -0.001 0.000 0.218 395 A C 2.399 180.194 177.584 0.352 0.000 1.175 395 A CA 1.642 53.941 52.037 0.438 0.000 0.628 395 A CB -0.559 18.704 19.000 0.439 0.000 0.814 395 A HN 0.378 nan 8.150 nan 0.000 0.444 396 A N -1.312 121.628 122.820 0.201 0.000 1.902 396 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 396 A C 2.106 179.784 177.584 0.157 0.000 1.181 396 A CA 1.387 53.498 52.037 0.124 0.000 0.623 396 A CB -0.856 18.203 19.000 0.098 0.000 0.818 396 A HN 0.826 nan 8.150 nan 0.000 0.443 397 W N 0.944 122.278 121.300 0.057 0.000 2.355 397 W HA -0.154 4.506 4.660 -0.001 0.000 0.309 397 W C 1.752 178.316 176.519 0.075 0.000 1.206 397 W CA 1.975 59.343 57.345 0.039 0.000 1.284 397 W CB -0.375 29.094 29.460 0.015 0.000 1.145 397 W HN 0.549 nan 8.180 nan 0.000 0.502 398 E N -0.768 119.690 120.200 0.431 0.000 2.268 398 E HA -0.153 4.197 4.350 -0.001 0.000 0.195 398 E C 1.982 178.767 176.600 0.307 0.000 0.995 398 E CA 1.630 58.267 56.400 0.395 0.000 0.836 398 E CB -0.196 29.801 29.700 0.494 0.000 0.763 398 E HN 0.081 nan 8.360 nan 0.000 0.491 399 T N 0.144 114.854 114.554 0.260 0.000 2.821 399 T HA -0.099 4.250 4.350 -0.001 0.000 0.267 399 T C 1.724 176.418 174.700 -0.009 0.000 1.046 399 T CA 1.308 63.496 62.100 0.145 0.000 1.139 399 T CB 0.022 68.970 68.868 0.133 0.000 0.871 399 T HN 0.234 nan 8.240 nan 0.000 0.454 400 A N 0.052 122.820 122.820 -0.087 0.000 2.343 400 A HA 0.341 4.660 4.320 -0.001 0.000 0.223 400 A C 0.885 178.328 177.584 -0.234 0.000 1.214 400 A CA -0.083 51.845 52.037 -0.181 0.000 0.900 400 A CB 0.464 19.324 19.000 -0.234 0.000 0.942 400 A HN 0.088 nan 8.150 nan 0.000 0.507 401 R N 0.130 120.514 120.500 -0.192 0.000 2.621 401 R HA 0.370 4.710 4.340 -0.001 0.000 0.284 401 R C -1.670 174.598 176.300 -0.054 0.000 0.998 401 R CA -0.508 55.508 56.100 -0.140 0.000 0.895 401 R CB 0.941 31.219 30.300 -0.038 0.000 1.195 401 R HN 0.494 nan 8.270 nan 0.000 0.450 402 H N 0.653 119.795 119.070 0.120 0.000 2.646 402 H HA 0.219 4.775 4.556 -0.001 0.000 0.325 402 H C 0.489 175.896 175.328 0.131 0.000 1.075 402 H CA 0.387 56.512 56.048 0.127 0.000 1.421 402 H CB 1.007 30.818 29.762 0.082 0.000 1.461 402 H HN 0.533 nan 8.280 nan 0.000 0.525 403 T N 0.115 114.815 114.554 0.243 0.000 2.942 403 T HA 0.253 4.603 4.350 -0.001 0.000 0.289 403 T C -1.669 173.079 174.700 0.081 0.000 1.044 403 T CA -2.057 60.136 62.100 0.155 0.000 1.023 403 T CB 1.618 70.573 68.868 0.146 0.000 1.123 403 T HN 0.278 nan 8.240 nan 0.000 0.512 404 P HA 0.154 nan 4.420 nan 0.000 0.219 404 P C -0.313 176.981 177.300 -0.010 0.000 1.150 404 P CA 0.331 63.420 63.100 -0.018 0.000 0.814 404 P CB 0.178 31.855 31.700 -0.037 0.000 0.787 405 V N 1.104 121.008 119.914 -0.016 0.000 2.483 405 V HA 0.221 4.341 4.120 -0.001 0.000 0.297 405 V C -0.416 175.643 176.094 -0.060 0.000 1.027 405 V CA -0.882 61.392 62.300 -0.044 0.000 0.855 405 V CB 1.739 33.531 31.823 -0.052 0.000 0.995 405 V HN -0.015 nan 8.190 nan 0.000 0.424 406 N N 3.088 121.705 118.700 -0.139 0.000 2.521 406 N HA 0.070 4.810 4.740 -0.001 0.000 0.236 406 N C 1.324 176.615 175.510 -0.366 0.000 1.067 406 N CA 0.162 53.050 53.050 -0.270 0.000 0.939 406 N CB 1.686 39.852 38.487 -0.535 0.000 1.201 406 N HN 0.830 nan 8.380 nan 0.000 0.511 407 S N 2.131 117.733 115.700 -0.163 0.000 2.423 407 S HA -0.103 4.366 4.470 -0.001 0.000 0.231 407 S C 1.835 176.386 174.600 -0.081 0.000 1.014 407 S CA 0.068 58.211 58.200 -0.094 0.000 0.965 407 S CB -0.376 62.820 63.200 -0.007 0.000 0.785 407 S HN 0.794 nan 8.310 nan 0.000 0.495 408 W N 1.428 122.648 121.300 -0.133 0.000 2.338 408 W HA -0.055 4.605 4.660 -0.001 0.000 0.304 408 W C 1.686 178.123 176.519 -0.136 0.000 1.212 408 W CA 0.533 57.754 57.345 -0.207 0.000 1.264 408 W CB -1.080 27.896 29.460 -0.807 0.000 1.142 408 W HN 0.364 nan 8.180 nan 0.000 0.512 409 L N 2.898 123.484 121.223 -1.060 0.000 2.056 409 L HA 0.148 4.488 4.340 -0.001 0.000 0.207 409 L C 2.678 179.364 176.870 -0.306 0.000 1.078 409 L CA 2.821 57.142 54.840 -0.864 0.000 0.749 409 L CB -1.415 39.899 42.059 -1.241 0.000 0.901 409 L HN 0.053 nan 8.230 nan 0.000 0.433 410 G N -0.617 108.027 108.800 -0.260 0.000 2.440 410 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.218 410 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.218 410 G C 1.468 176.381 174.900 0.022 0.000 1.154 410 G CA 0.810 45.844 45.100 -0.110 0.000 0.767 410 G HN 0.448 nan 8.290 nan 0.000 0.552 411 N N 0.522 119.291 118.700 0.115 0.000 2.188 411 N HA -0.010 4.730 4.740 -0.001 0.000 0.184 411 N C 2.242 177.896 175.510 0.239 0.000 1.018 411 N CA 0.616 53.855 53.050 0.316 0.000 0.858 411 N CB -0.157 38.589 38.487 0.430 0.000 0.989 411 N HN 0.347 nan 8.380 nan 0.000 0.426 412 I N 1.029 121.699 120.570 0.166 0.000 2.179 412 I HA -0.160 4.009 4.170 -0.001 0.000 0.242 412 I C 1.184 177.348 176.117 0.079 0.000 1.088 412 I CA 0.506 61.884 61.300 0.131 0.000 1.357 412 I CB -0.132 38.014 38.000 0.243 0.000 1.051 412 I HN 0.001 nan 8.210 nan 0.000 0.409 416 A N 0.660 123.289 122.820 -0.319 0.000 1.958 416 A HA -0.169 4.150 4.320 -0.001 0.000 0.221 416 A C -0.634 176.684 177.584 -0.443 0.000 1.178 416 A CA 2.199 54.001 52.037 -0.392 0.000 0.642 416 A CB -1.268 17.467 19.000 -0.441 0.000 0.816 416 A HN 0.309 nan 8.150 nan 0.000 0.453 417 P HA 0.017 nan 4.420 nan 0.000 0.233 417 P C 0.675 177.749 177.300 -0.377 0.000 1.167 417 P CA 1.213 64.070 63.100 -0.405 0.000 0.770 417 P CB -0.283 31.216 31.700 -0.334 0.000 0.837 418 T N -2.655 111.682 114.554 -0.361 0.000 2.860 418 T HA 0.097 4.446 4.350 -0.001 0.000 0.299 418 T C 1.105 175.423 174.700 -0.638 0.000 1.045 418 T CA -0.624 61.214 62.100 -0.437 0.000 1.071 418 T CB 0.545 68.928 68.868 -0.808 0.000 0.985 418 T HN -0.196 nan 8.240 nan 0.000 0.537 419 L N 1.841 122.606 121.223 -0.764 0.000 2.017 419 L HA 0.049 4.389 4.340 -0.001 0.000 0.208 419 L C 2.385 178.953 176.870 -0.503 0.000 1.073 419 L CA 1.596 55.933 54.840 -0.838 0.000 0.745 419 L CB -1.056 40.420 42.059 -0.972 0.000 0.894 419 L HN 0.926 nan 8.230 nan 0.000 0.432 420 W N -0.727 120.380 121.300 -0.322 0.000 2.418 420 W HA 0.067 4.726 4.660 -0.001 0.000 0.292 420 W C 1.953 178.350 176.519 -0.202 0.000 1.213 420 W CA 0.821 58.014 57.345 -0.254 0.000 1.283 420 W CB -1.343 27.997 29.460 -0.200 0.000 1.119 420 W HN 0.299 nan 8.180 nan 0.000 0.542 421 A N 1.640 123.981 122.820 -0.798 0.000 1.929 421 A HA -0.017 4.303 4.320 -0.001 0.000 0.216 421 A C 1.682 179.107 177.584 -0.265 0.000 1.176 421 A CA 0.555 52.290 52.037 -0.503 0.000 0.628 421 A CB -0.667 17.884 19.000 -0.748 0.000 0.816 421 A HN 0.239 nan 8.150 nan 0.000 0.444 428 H N 1.071 120.315 119.070 0.290 0.000 2.265 428 H HA 0.021 4.576 4.556 -0.001 0.000 0.295 428 H C 1.741 176.947 175.328 -0.203 0.000 1.084 428 H CA 2.322 58.399 56.048 0.048 0.000 1.261 428 H CB -0.427 29.208 29.762 -0.211 0.000 1.360 428 H HN 0.328 nan 8.280 nan 0.000 0.487 429 F N -1.024 118.903 119.950 -0.038 0.000 2.234 429 F HA -0.052 4.474 4.527 -0.001 0.000 0.299 429 F C 2.131 177.767 175.800 -0.274 0.000 1.087 429 F CA 0.733 58.488 58.000 -0.409 0.000 1.340 429 F CB -0.581 37.839 39.000 -0.966 0.000 1.031 429 F HN 0.156 nan 8.300 nan 0.000 0.500 430 F N -0.609 119.429 119.950 0.147 0.000 2.293 430 F HA -0.175 4.352 4.527 -0.001 0.000 0.300 430 F C 2.704 178.523 175.800 0.032 0.000 1.086 430 F CA 1.416 59.510 58.000 0.157 0.000 1.375 430 F CB -0.777 38.406 39.000 0.305 0.000 1.045 430 F HN -0.099 nan 8.300 nan 0.000 0.516 431 S N 0.373 116.136 115.700 0.104 0.000 2.356 431 S HA -0.166 4.303 4.470 -0.001 0.000 0.223 431 S C 2.123 176.673 174.600 -0.083 0.000 1.032 431 S CA 1.435 59.630 58.200 -0.010 0.000 1.005 431 S CB -0.421 62.753 63.200 -0.044 0.000 0.867 431 S HN 0.327 nan 8.310 nan 0.000 0.449 432 I N 1.242 121.696 120.570 -0.194 0.000 2.252 432 I HA -0.152 4.017 4.170 -0.001 0.000 0.245 432 I C 2.172 178.240 176.117 -0.082 0.000 1.102 432 I CA 0.990 62.179 61.300 -0.184 0.000 1.385 432 I CB -0.349 37.474 38.000 -0.296 0.000 1.064 432 I HN 0.295 nan 8.210 nan 0.000 0.414 433 L N 0.066 121.244 121.223 -0.076 0.000 2.083 433 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 433 L C 2.534 179.409 176.870 0.009 0.000 1.083 433 L CA 1.186 56.006 54.840 -0.034 0.000 0.752 433 L CB -0.468 41.528 42.059 -0.106 0.000 0.899 433 L HN 0.269 nan 8.230 nan 0.000 0.433 434 L N -0.276 120.965 121.223 0.029 0.000 1.994 434 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 434 L C 2.871 179.754 176.870 0.022 0.000 1.071 434 L CA 1.367 56.236 54.840 0.048 0.000 0.745 434 L CB -0.606 41.487 42.059 0.056 0.000 0.892 434 L HN 0.239 nan 8.230 nan 0.000 0.431 435 A N -1.062 121.758 122.820 0.001 0.000 1.978 435 A HA -0.212 4.108 4.320 -0.001 0.000 0.220 435 A C 2.002 179.589 177.584 0.004 0.000 1.170 435 A CA 1.461 53.495 52.037 -0.006 0.000 0.636 435 A CB -0.247 18.738 19.000 -0.025 0.000 0.810 435 A HN 0.483 nan 8.150 nan 0.000 0.448 436 Q N -0.943 118.864 119.800 0.011 0.000 2.282 436 Q HA 0.120 4.459 4.340 -0.001 0.000 0.206 436 Q C -0.536 175.481 176.000 0.029 0.000 0.878 436 Q CA 0.259 56.076 55.803 0.023 0.000 0.944 436 Q CB 0.154 28.914 28.738 0.036 0.000 1.100 436 Q HN 0.777 nan 8.270 nan 0.000 0.509 437 E N 0.826 121.044 120.200 0.030 0.000 2.297 437 E HA -0.244 4.106 4.350 -0.001 0.000 0.228 437 E C -0.301 176.324 176.600 0.042 0.000 1.213 437 E CA 0.286 56.708 56.400 0.037 0.000 0.712 437 E CB -1.069 28.649 29.700 0.031 0.000 1.202 437 E HN 0.425 nan 8.360 nan 0.000 0.376 438 Q N -0.223 119.605 119.800 0.046 0.000 2.165 438 Q HA 0.126 4.465 4.340 -0.001 0.000 0.245 438 Q C 1.182 177.217 176.000 0.058 0.000 0.841 438 Q CA -0.482 55.352 55.803 0.053 0.000 1.078 438 Q CB 0.469 29.243 28.738 0.061 0.000 1.169 438 Q HN 0.181 nan 8.270 nan 0.000 0.475 439 L N 0.848 122.108 121.223 0.062 0.000 2.127 439 L HA -0.183 4.157 4.340 -0.001 0.000 0.211 439 L C 1.329 178.252 176.870 0.089 0.000 1.089 439 L CA 1.941 56.828 54.840 0.077 0.000 0.757 439 L CB -0.136 42.000 42.059 0.128 0.000 0.899 439 L HN 0.295 nan 8.230 nan 0.000 0.434 440 E N -1.352 118.895 120.200 0.078 0.000 2.479 440 E HA 0.030 4.379 4.350 -0.001 0.000 0.193 440 E C 0.631 177.270 176.600 0.066 0.000 1.049 440 E CA 0.003 56.447 56.400 0.073 0.000 0.870 440 E CB -0.231 29.507 29.700 0.063 0.000 0.944 440 E HN 0.150 nan 8.360 nan 0.000 0.492 441 K N 1.917 122.357 120.400 0.067 0.000 2.316 441 K HA 0.417 4.736 4.320 -0.001 0.000 0.289 441 K C -0.441 176.201 176.600 0.069 0.000 1.070 441 K CA -0.408 55.916 56.287 0.063 0.000 0.928 441 K CB 0.534 33.070 32.500 0.060 0.000 1.039 441 K HN 0.138 nan 8.250 nan 0.000 0.480 442 A N 5.650 128.508 122.820 0.064 0.000 2.492 442 A HA 0.241 4.561 4.320 -0.001 0.000 0.254 442 A C -0.387 177.233 177.584 0.060 0.000 1.091 442 A CA -0.060 52.016 52.037 0.065 0.000 0.768 442 A CB 0.037 19.080 19.000 0.072 0.000 1.028 442 A HN 0.770 nan 8.150 nan 0.000 0.498 443 L N 2.176 123.422 121.223 0.038 0.000 2.333 443 L HA 0.403 4.742 4.340 -0.001 0.000 0.269 443 L C -0.683 176.179 176.870 -0.013 0.000 1.010 443 L CA -1.065 53.783 54.840 0.013 0.000 0.818 443 L CB 1.953 43.998 42.059 -0.024 0.000 1.306 443 L HN 0.581 nan 8.230 nan 0.000 0.430 444 D N 1.123 121.521 120.400 -0.003 0.000 2.256 444 D HA 0.465 5.104 4.640 -0.001 0.000 0.250 444 D C -0.441 175.811 176.300 -0.081 0.000 1.093 444 D CA -0.030 53.973 54.000 0.004 0.000 0.882 444 D CB 1.644 42.479 40.800 0.059 0.000 1.185 444 D HN 0.601 nan 8.370 nan 0.000 0.437 445 C N 0.477 119.727 119.300 -0.083 0.000 3.318 445 C HA 0.706 5.165 4.460 -0.001 0.000 0.329 445 C C -1.132 173.817 174.990 -0.070 0.000 1.449 445 C CA -0.797 58.142 59.018 -0.132 0.000 1.397 445 C CB 1.540 29.147 27.740 -0.222 0.000 1.810 445 C HN 0.518 nan 8.230 nan 0.000 0.449 446 Q N 0.356 120.114 119.800 -0.069 0.000 2.356 446 Q HA 0.728 5.067 4.340 -0.001 0.000 0.270 446 Q C -1.508 174.474 176.000 -0.030 0.000 1.058 446 Q CA -0.370 55.419 55.803 -0.023 0.000 0.802 446 Q CB 2.525 31.254 28.738 -0.015 0.000 1.303 446 Q HN 0.726 nan 8.270 nan 0.000 0.444 447 I N 2.799 123.370 120.570 0.002 0.000 2.439 447 I HA 0.204 4.374 4.170 -0.001 0.000 0.285 447 I C -1.000 175.157 176.117 0.066 0.000 1.021 447 I CA -0.721 60.509 61.300 -0.117 0.000 1.091 447 I CB 1.042 38.749 38.000 -0.489 0.000 1.242 447 I HN 0.668 nan 8.210 nan 0.000 0.439 448 Y N 5.147 125.510 120.300 0.105 0.000 3.589 448 Y HA -0.261 4.289 4.550 -0.001 0.000 0.218 448 Y C 1.480 177.369 175.900 -0.018 0.000 1.234 448 Y CA 1.122 59.277 58.100 0.092 0.000 1.576 448 Y CB -1.915 36.611 38.460 0.110 0.000 1.487 448 Y HN 0.975 nan 8.280 nan 0.000 0.616 449 G N -2.124 106.775 108.800 0.165 0.000 2.253 449 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.251 449 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.251 449 G C 0.506 175.442 174.900 0.060 0.000 0.998 449 G CA 0.280 45.433 45.100 0.088 0.000 0.621 449 G HN 1.564 nan 8.290 nan 0.000 0.524 450 A N -0.561 122.302 122.820 0.071 0.000 2.302 450 A HA 0.648 4.967 4.320 -0.001 0.000 0.285 450 A C 0.657 178.079 177.584 -0.270 0.000 1.105 450 A CA 0.465 52.424 52.037 -0.130 0.000 0.816 450 A CB 0.973 19.872 19.000 -0.168 0.000 1.067 450 A HN 1.533 nan 8.150 nan 0.000 0.489 451 C N 1.930 120.986 119.300 -0.405 0.000 2.330 451 C HA 0.776 5.236 4.460 -0.001 0.000 0.344 451 C C -1.123 173.464 174.990 -0.673 0.000 1.273 451 C CA -0.467 58.359 59.018 -0.320 0.000 1.879 451 C CB -1.172 26.536 27.740 -0.054 0.000 2.376 451 C HN 0.645 nan 8.230 nan 0.000 0.534 452 Y N 2.849 122.969 120.300 -0.299 0.000 2.442 452 Y HA 0.445 4.995 4.550 -0.001 0.000 0.344 452 Y C 0.310 176.088 175.900 -0.203 0.000 0.976 452 Y CA -0.378 57.497 58.100 -0.375 0.000 1.040 452 Y CB 1.870 40.057 38.460 -0.454 0.000 1.228 452 Y HN 0.593 nan 8.280 nan 0.000 0.451 453 S N 4.353 120.051 115.700 -0.004 0.000 2.422 453 S HA 0.709 5.179 4.470 -0.001 0.000 0.308 453 S C -0.929 173.717 174.600 0.076 0.000 1.097 453 S CA -0.292 57.957 58.200 0.081 0.000 1.099 453 S CB -0.372 62.927 63.200 0.166 0.000 0.976 453 S HN 0.553 nan 8.310 nan 0.000 0.471 454 I N 3.803 124.404 120.570 0.052 0.000 2.545 454 I HA 0.369 4.538 4.170 -0.001 0.000 0.292 454 I C -0.225 175.923 176.117 0.053 0.000 1.040 454 I CA -0.707 60.631 61.300 0.063 0.000 1.068 454 I CB 2.294 40.325 38.000 0.051 0.000 1.251 454 I HN 0.560 nan 8.210 nan 0.000 0.424 455 E N 6.621 126.867 120.200 0.076 0.000 2.229 455 E HA 0.182 4.532 4.350 -0.001 0.000 0.283 455 E C -1.816 174.848 176.600 0.106 0.000 1.030 455 E CA -1.553 54.897 56.400 0.083 0.000 0.836 455 E CB 1.261 31.011 29.700 0.083 0.000 1.068 455 E HN 0.315 nan 8.360 nan 0.000 0.401 456 P HA -0.178 nan 4.420 nan 0.000 0.218 456 P C 0.996 178.461 177.300 0.275 0.000 1.146 456 P CA 1.021 64.218 63.100 0.162 0.000 0.813 456 P CB 0.239 31.970 31.700 0.051 0.000 0.778 457 L N -0.768 120.585 121.223 0.216 0.000 2.265 457 L HA -0.140 4.200 4.340 -0.001 0.000 0.215 457 L C 1.383 178.358 176.870 0.175 0.000 1.117 457 L CA 1.238 56.215 54.840 0.228 0.000 0.782 457 L CB -0.613 41.540 42.059 0.157 0.000 0.914 457 L HN 0.007 nan 8.230 nan 0.000 0.441 458 D N -0.331 120.157 120.400 0.148 0.000 2.349 458 D HA -0.011 4.629 4.640 -0.001 0.000 0.224 458 D C 2.254 178.625 176.300 0.119 0.000 1.029 458 D CA 0.317 54.379 54.000 0.103 0.000 0.879 458 D CB 0.322 41.169 40.800 0.078 0.000 0.906 458 D HN 0.310 nan 8.370 nan 0.000 0.528 459 L N 0.969 122.309 121.223 0.195 0.000 2.043 459 L HA -0.170 4.170 4.340 -0.001 0.000 0.212 459 L C -0.448 176.535 176.870 0.188 0.000 1.075 459 L CA 1.544 56.516 54.840 0.220 0.000 0.752 459 L CB -1.500 40.765 42.059 0.343 0.000 0.891 459 L HN 0.048 nan 8.230 nan 0.000 0.432 460 P HA -0.192 nan 4.420 nan 0.000 0.215 460 P C 1.450 178.818 177.300 0.113 0.000 1.157 460 P CA 1.327 64.484 63.100 0.095 0.000 0.868 460 P CB 0.040 31.639 31.700 -0.169 0.000 0.788 461 Q N -0.820 118.982 119.800 0.004 0.000 2.050 461 Q HA -0.121 4.219 4.340 -0.001 0.000 0.202 461 Q C 2.206 178.197 176.000 -0.015 0.000 0.980 461 Q CA 1.287 57.074 55.803 -0.026 0.000 0.840 461 Q CB -0.731 27.974 28.738 -0.055 0.000 0.898 461 Q HN 0.252 nan 8.270 nan 0.000 0.424 462 I N 0.431 120.999 120.570 -0.004 0.000 2.163 462 I HA -0.301 3.868 4.170 -0.001 0.000 0.243 462 I C 2.167 178.292 176.117 0.015 0.000 1.085 462 I CA 1.253 62.523 61.300 -0.051 0.000 1.347 462 I CB -0.328 37.684 38.000 0.019 0.000 1.044 462 I HN 0.211 nan 8.210 nan 0.000 0.408 463 I N 0.412 121.050 120.570 0.113 0.000 2.226 463 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 463 I C 2.655 178.781 176.117 0.014 0.000 1.100 463 I CA 1.464 62.839 61.300 0.125 0.000 1.374 463 I CB -0.451 37.612 38.000 0.105 0.000 1.057 463 I HN 0.318 nan 8.210 nan 0.000 0.413 464 E N 1.163 121.389 120.200 0.043 0.000 2.038 464 E HA -0.253 4.097 4.350 -0.001 0.000 0.195 464 E C 2.411 178.991 176.600 -0.033 0.000 1.000 464 E CA 1.169 57.575 56.400 0.010 0.000 0.803 464 E CB 0.080 29.850 29.700 0.116 0.000 0.750 464 E HN 0.266 nan 8.360 nan 0.000 0.448 465 R N 0.149 120.618 120.500 -0.052 0.000 2.105 465 R HA -0.129 4.211 4.340 -0.001 0.000 0.239 465 R C 2.448 178.680 176.300 -0.113 0.000 1.135 465 R CA 1.063 57.105 56.100 -0.096 0.000 0.967 465 R CB -0.513 29.692 30.300 -0.159 0.000 0.861 465 R HN 0.378 nan 8.270 nan 0.000 0.442 466 L N -1.207 119.939 121.223 -0.128 0.000 2.202 466 L HA 0.001 4.340 4.340 -0.001 0.000 0.205 466 L C 1.809 178.438 176.870 -0.403 0.000 1.083 466 L CA 0.891 55.577 54.840 -0.257 0.000 0.790 466 L CB -0.348 41.514 42.059 -0.328 0.000 0.942 466 L HN 0.239 nan 8.230 nan 0.000 0.452 467 H N -0.481 118.510 119.070 -0.131 0.000 2.874 467 H HA 0.328 4.884 4.556 -0.001 0.000 0.264 467 H C 0.922 176.153 175.328 -0.162 0.000 1.007 467 H CA 0.686 56.642 56.048 -0.154 0.000 1.207 467 H CB 1.186 30.833 29.762 -0.193 0.000 1.487 467 H HN 0.310 nan 8.280 nan 0.000 0.505 468 G N 1.036 109.804 108.800 -0.053 0.000 2.756 468 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.678 468 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.678 468 G C 0.546 175.374 174.900 -0.121 0.000 1.349 468 G CA -0.227 44.837 45.100 -0.061 0.000 0.847 468 G HN 0.196 nan 8.290 nan 0.000 0.548 469 L N 1.030 122.242 121.223 -0.019 0.000 2.275 469 L HA -0.065 4.275 4.340 -0.001 0.000 0.215 469 L C 3.212 180.080 176.870 -0.004 0.000 1.119 469 L CA 1.979 56.865 54.840 0.077 0.000 0.790 469 L CB -0.539 41.639 42.059 0.199 0.000 0.919 469 L HN 0.888 nan 8.230 nan 0.000 0.443 470 S N 0.323 115.992 115.700 -0.052 0.000 2.402 470 S HA -0.243 4.227 4.470 -0.001 0.000 0.233 470 S C 2.155 176.670 174.600 -0.142 0.000 1.030 470 S CA 0.970 59.130 58.200 -0.065 0.000 1.003 470 S CB -0.513 62.643 63.200 -0.073 0.000 0.813 470 S HN 0.391 nan 8.310 nan 0.000 0.477 471 A N 0.775 123.420 122.820 -0.292 0.000 2.076 471 A HA 0.101 4.420 4.320 -0.001 0.000 0.220 471 A C 1.570 178.980 177.584 -0.290 0.000 1.160 471 A CA 1.154 52.952 52.037 -0.399 0.000 0.653 471 A CB -0.872 17.776 19.000 -0.587 0.000 0.801 471 A HN 0.576 nan 8.150 nan 0.000 0.455 472 F N 0.041 119.998 119.950 0.013 0.000 2.797 472 F HA 0.119 4.645 4.527 -0.001 0.000 0.302 472 F C 1.570 177.409 175.800 0.065 0.000 1.130 472 F CA 0.508 58.541 58.000 0.055 0.000 1.387 472 F CB -0.017 39.047 39.000 0.106 0.000 1.107 472 F HN 0.225 nan 8.300 nan 0.000 0.577 473 S N -1.569 114.231 115.700 0.166 0.000 2.893 473 S HA 0.300 4.770 4.470 -0.001 0.000 0.258 473 S C 0.106 174.770 174.600 0.107 0.000 1.034 473 S CA -0.377 57.912 58.200 0.149 0.000 1.167 473 S CB -0.388 62.893 63.200 0.135 0.000 1.137 473 S HN 0.014 nan 8.310 nan 0.000 0.650 474 L N 3.428 124.635 121.223 -0.027 0.000 2.485 474 L HA 0.385 4.725 4.340 -0.001 0.000 0.275 474 L C 0.602 177.391 176.870 -0.134 0.000 1.207 474 L CA 0.282 54.992 54.840 -0.216 0.000 0.855 474 L CB 0.009 41.791 42.059 -0.461 0.000 1.114 474 L HN 0.614 nan 8.230 nan 0.000 0.485 475 H N -1.634 117.247 119.070 -0.315 0.000 2.933 475 H HA 0.386 4.942 4.556 -0.001 0.000 0.310 475 H C -0.311 174.896 175.328 -0.203 0.000 1.351 475 H CA -0.856 55.083 56.048 -0.182 0.000 1.137 475 H CB 1.007 30.763 29.762 -0.010 0.000 1.853 475 H HN 0.395 nan 8.280 nan 0.000 0.539 476 S N -0.513 115.272 115.700 0.141 0.000 3.572 476 S HA -0.236 4.233 4.470 -0.001 0.000 0.394 476 S C -0.680 173.965 174.600 0.075 0.000 0.923 476 S CA 0.472 58.757 58.200 0.142 0.000 1.291 476 S CB -2.460 60.809 63.200 0.115 0.000 0.914 476 S HN 0.512 nan 8.310 nan 0.000 0.545 477 Y N 1.823 122.173 120.300 0.083 0.000 2.357 477 Y HA 0.292 4.842 4.550 -0.001 0.000 0.340 477 Y C 1.401 177.358 175.900 0.095 0.000 1.260 477 Y CA 0.397 58.543 58.100 0.077 0.000 1.425 477 Y CB 0.430 38.928 38.460 0.064 0.000 1.326 477 Y HN 0.552 nan 8.280 nan 0.000 0.580 478 S N 2.079 117.931 115.700 0.252 0.000 2.568 478 S HA 0.082 4.552 4.470 -0.001 0.000 0.282 478 S C -1.971 172.718 174.600 0.149 0.000 1.338 478 S CA -1.061 57.236 58.200 0.161 0.000 1.045 478 S CB 1.115 64.386 63.200 0.118 0.000 0.873 478 S HN 0.460 nan 8.310 nan 0.000 0.516 479 P HA -0.016 nan 4.420 nan 0.000 0.216 479 P C 1.727 179.072 177.300 0.075 0.000 1.153 479 P CA 1.696 64.849 63.100 0.088 0.000 0.858 479 P CB -0.423 31.319 31.700 0.070 0.000 0.789 480 G N -0.211 108.630 108.800 0.068 0.000 2.418 480 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.217 480 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.217 480 G C 1.662 176.595 174.900 0.056 0.000 1.158 480 G CA 0.851 45.982 45.100 0.052 0.000 0.771 480 G HN 0.254 nan 8.290 nan 0.000 0.545 481 E N 0.633 120.884 120.200 0.086 0.000 2.072 481 E HA -0.023 4.327 4.350 -0.001 0.000 0.191 481 E C 2.436 179.083 176.600 0.079 0.000 0.985 481 E CA 0.670 57.131 56.400 0.102 0.000 0.801 481 E CB -0.379 29.434 29.700 0.188 0.000 0.750 481 E HN 0.492 nan 8.360 nan 0.000 0.452 482 I N 0.825 121.447 120.570 0.086 0.000 2.179 482 I HA -0.291 3.878 4.170 -0.001 0.000 0.242 482 I C 2.035 178.177 176.117 0.042 0.000 1.088 482 I CA 1.130 62.464 61.300 0.057 0.000 1.357 482 I CB -0.422 37.626 38.000 0.080 0.000 1.051 482 I HN 0.177 nan 8.210 nan 0.000 0.409 483 N N 0.671 119.398 118.700 0.044 0.000 2.166 483 N HA -0.210 4.530 4.740 -0.001 0.000 0.186 483 N C 1.926 177.446 175.510 0.017 0.000 1.019 483 N CA 1.164 54.233 53.050 0.032 0.000 0.856 483 N CB -0.365 38.142 38.487 0.033 0.000 0.993 483 N HN 0.370 nan 8.380 nan 0.000 0.426 484 R N 0.969 121.475 120.500 0.010 0.000 2.075 484 R HA -0.029 4.310 4.340 -0.001 0.000 0.232 484 R C 1.989 178.266 176.300 -0.037 0.000 1.126 484 R CA 0.900 56.990 56.100 -0.016 0.000 0.963 484 R CB -0.143 30.140 30.300 -0.027 0.000 0.858 484 R HN -0.069 nan 8.270 nan 0.000 0.435 485 V N 1.263 121.162 119.914 -0.025 0.000 2.261 485 V HA -0.250 3.870 4.120 -0.001 0.000 0.246 485 V C 2.523 178.608 176.094 -0.015 0.000 1.047 485 V CA 2.014 64.292 62.300 -0.037 0.000 1.015 485 V CB -0.866 30.963 31.823 0.009 0.000 0.642 485 V HN 0.577 nan 8.190 nan 0.000 0.446 486 A N -0.362 122.464 122.820 0.010 0.000 1.908 486 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 486 A C 2.472 180.067 177.584 0.019 0.000 1.181 486 A CA 2.445 54.497 52.037 0.026 0.000 0.627 486 A CB -0.752 18.270 19.000 0.036 0.000 0.818 486 A HN 0.526 nan 8.150 nan 0.000 0.445 487 S N -1.361 114.345 115.700 0.009 0.000 2.383 487 S HA -0.195 4.275 4.470 -0.001 0.000 0.227 487 S C 2.021 176.624 174.600 0.004 0.000 1.026 487 S CA 1.161 59.367 58.200 0.010 0.000 0.981 487 S CB -0.861 62.343 63.200 0.006 0.000 0.818 487 S HN 0.802 nan 8.310 nan 0.000 0.472 488 C N 2.062 121.349 119.300 -0.021 0.000 2.425 488 C HA 0.027 4.486 4.460 -0.001 0.000 0.277 488 C C 2.394 177.374 174.990 -0.017 0.000 1.280 488 C CA 0.489 59.485 59.018 -0.036 0.000 1.744 488 C CB -1.613 26.070 27.740 -0.096 0.000 1.989 488 C HN 0.565 nan 8.230 nan 0.000 0.491 489 L N 0.310 121.529 121.223 -0.006 0.000 2.056 489 L HA -0.092 4.248 4.340 -0.001 0.000 0.207 489 L C 3.032 179.903 176.870 0.002 0.000 1.078 489 L CA 1.629 56.477 54.840 0.013 0.000 0.749 489 L CB -0.886 41.208 42.059 0.058 0.000 0.901 489 L HN 0.332 nan 8.230 nan 0.000 0.433 490 R N 0.426 120.938 120.500 0.020 0.000 2.081 490 R HA -0.188 4.151 4.340 -0.001 0.000 0.235 490 R C 2.359 178.700 176.300 0.069 0.000 1.131 490 R CA 1.405 57.525 56.100 0.034 0.000 0.960 490 R CB -0.271 30.059 30.300 0.049 0.000 0.856 490 R HN 0.307 nan 8.270 nan 0.000 0.436 491 K N 0.716 121.158 120.400 0.071 0.000 2.026 491 K HA -0.153 4.167 4.320 -0.001 0.000 0.208 491 K C 1.577 178.288 176.600 0.186 0.000 1.048 491 K CA 1.294 57.654 56.287 0.122 0.000 0.929 491 K CB 0.072 32.615 32.500 0.072 0.000 0.713 491 K HN 0.004 nan 8.250 nan 0.000 0.439 492 L N 0.003 121.261 121.223 0.058 0.000 2.418 492 L HA 0.181 4.521 4.340 -0.001 0.000 0.218 492 L C 1.124 177.839 176.870 -0.258 0.000 1.125 492 L CA 1.341 56.193 54.840 0.020 0.000 0.835 492 L CB -0.129 41.940 42.059 0.016 0.000 0.953 492 L HN 0.529 nan 8.230 nan 0.000 0.454 493 G N -0.086 108.418 108.800 -0.492 0.000 2.212 493 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.255 493 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.255 493 G C -0.012 174.736 174.900 -0.253 0.000 1.062 493 G CA 0.130 44.777 45.100 -0.756 0.000 0.815 493 G HN 0.102 nan 8.290 nan 0.000 0.497 494 V N 0.755 120.619 119.914 -0.082 0.000 2.481 494 V HA 0.445 4.564 4.120 -0.001 0.000 0.286 494 V C -1.333 174.850 176.094 0.148 0.000 1.042 494 V CA -1.696 60.656 62.300 0.087 0.000 0.928 494 V CB 1.681 33.577 31.823 0.121 0.000 0.986 494 V HN 0.174 nan 8.190 nan 0.000 0.462 495 P HA 0.077 nan 4.420 nan 0.000 0.265 495 P C -2.411 175.020 177.300 0.218 0.000 1.187 495 P CA -0.568 62.572 63.100 0.065 0.000 0.766 495 P CB -0.147 31.419 31.700 -0.224 0.000 0.820 496 P HA 0.002 nan 4.420 nan 0.000 0.270 496 P C 0.963 178.426 177.300 0.273 0.000 1.223 496 P CA 0.105 63.304 63.100 0.165 0.000 0.785 496 P CB 0.741 32.490 31.700 0.082 0.000 0.923 497 L N 1.209 122.605 121.223 0.290 0.000 2.089 497 L HA -0.255 4.084 4.340 -0.001 0.000 0.213 497 L C 2.891 179.938 176.870 0.294 0.000 1.079 497 L CA 2.051 57.094 54.840 0.339 0.000 0.758 497 L CB -0.885 41.285 42.059 0.185 0.000 0.891 497 L HN 0.491 nan 8.230 nan 0.000 0.433 498 R N -0.328 120.283 120.500 0.185 0.000 2.105 498 R HA -0.124 4.216 4.340 -0.001 0.000 0.239 498 R C 1.981 178.360 176.300 0.132 0.000 1.135 498 R CA 1.561 57.754 56.100 0.154 0.000 0.967 498 R CB -1.084 29.275 30.300 0.098 0.000 0.861 498 R HN 0.175 nan 8.270 nan 0.000 0.442 499 V N 0.488 120.422 119.914 0.032 0.000 2.358 499 V HA -0.175 3.945 4.120 -0.001 0.000 0.246 499 V C 1.984 178.014 176.094 -0.107 0.000 1.047 499 V CA 1.736 63.962 62.300 -0.123 0.000 1.035 499 V CB -0.692 30.933 31.823 -0.331 0.000 0.658 499 V HN 0.372 nan 8.190 nan 0.000 0.452 500 W N 0.317 121.719 121.300 0.171 0.000 2.363 500 W HA -0.145 4.515 4.660 -0.001 0.000 0.296 500 W C 2.736 179.464 176.519 0.348 0.000 1.212 500 W CA 1.631 59.117 57.345 0.237 0.000 1.260 500 W CB -0.301 29.289 29.460 0.216 0.000 1.131 500 W HN 0.079 nan 8.180 nan 0.000 0.530 501 R N -0.297 120.523 120.500 0.534 0.000 2.081 501 R HA -0.216 4.124 4.340 -0.001 0.000 0.235 501 R C 2.043 178.479 176.300 0.227 0.000 1.131 501 R CA 2.093 58.495 56.100 0.504 0.000 0.960 501 R CB -0.729 29.838 30.300 0.445 0.000 0.856 501 R HN 0.275 nan 8.270 nan 0.000 0.436 502 H N 0.192 119.323 119.070 0.103 0.000 2.321 502 H HA -0.044 4.512 4.556 -0.001 0.000 0.300 502 H C 2.056 177.373 175.328 -0.018 0.000 1.087 502 H CA 2.279 58.334 56.048 0.011 0.000 1.319 502 H CB 0.169 29.916 29.762 -0.024 0.000 1.379 502 H HN 0.160 nan 8.280 nan 0.000 0.501 503 R N -0.108 120.482 120.500 0.150 0.000 2.096 503 R HA -0.075 4.265 4.340 -0.001 0.000 0.235 503 R C 2.570 178.868 176.300 -0.004 0.000 1.127 503 R CA 0.888 57.032 56.100 0.072 0.000 0.968 503 R CB -0.304 30.036 30.300 0.066 0.000 0.861 503 R HN 0.378 nan 8.270 nan 0.000 0.440 504 A N 1.467 124.318 122.820 0.052 0.000 1.940 504 A HA -0.191 4.129 4.320 -0.001 0.000 0.219 504 A C 2.101 179.456 177.584 -0.381 0.000 1.176 504 A CA 1.275 53.212 52.037 -0.166 0.000 0.631 504 A CB -0.385 18.585 19.000 -0.050 0.000 0.814 504 A HN 0.228 nan 8.150 nan 0.000 0.446 505 R N -0.633 119.690 120.500 -0.295 0.000 2.091 505 R HA -0.123 4.216 4.340 -0.001 0.000 0.238 505 R C 2.673 178.812 176.300 -0.269 0.000 1.136 505 R CA 1.573 57.493 56.100 -0.299 0.000 0.959 505 R CB -0.365 29.762 30.300 -0.288 0.000 0.856 505 R HN 0.602 nan 8.270 nan 0.000 0.437 506 S N 0.144 115.702 115.700 -0.237 0.000 2.355 506 S HA -0.083 4.386 4.470 -0.001 0.000 0.222 506 S C 2.050 176.530 174.600 -0.200 0.000 1.031 506 S CA 1.165 59.257 58.200 -0.181 0.000 0.993 506 S CB -0.125 63.003 63.200 -0.120 0.000 0.859 506 S HN 0.111 nan 8.310 nan 0.000 0.453 507 V N 2.542 122.299 119.914 -0.262 0.000 2.332 507 V HA -0.148 3.971 4.120 -0.001 0.000 0.248 507 V C 2.762 178.613 176.094 -0.404 0.000 1.055 507 V CA 2.261 64.370 62.300 -0.319 0.000 1.038 507 V CB -0.878 30.679 31.823 -0.443 0.000 0.651 507 V HN 0.515 nan 8.190 nan 0.000 0.450 508 R N 0.264 120.446 120.500 -0.529 0.000 2.073 508 R HA -0.179 4.161 4.340 -0.001 0.000 0.234 508 R C 2.314 178.491 176.300 -0.205 0.000 1.134 508 R CA 1.807 57.674 56.100 -0.389 0.000 0.952 508 R CB -0.486 29.604 30.300 -0.349 0.000 0.850 508 R HN 0.474 nan 8.270 nan 0.000 0.433 509 A N 0.792 123.501 122.820 -0.185 0.000 1.902 509 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 509 A C 2.200 179.730 177.584 -0.091 0.000 1.181 509 A CA 1.514 53.477 52.037 -0.123 0.000 0.623 509 A CB -0.434 18.495 19.000 -0.118 0.000 0.818 509 A HN 0.332 nan 8.150 nan 0.000 0.443 510 R N -0.538 119.905 120.500 -0.096 0.000 2.083 510 R HA -0.054 4.285 4.340 -0.001 0.000 0.237 510 R C 2.068 178.351 176.300 -0.028 0.000 1.137 510 R CA 1.587 57.654 56.100 -0.056 0.000 0.951 510 R CB -0.527 29.742 30.300 -0.053 0.000 0.851 510 R HN 0.557 nan 8.270 nan 0.000 0.434 511 L N 0.058 121.261 121.223 -0.034 0.000 2.017 511 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 511 L C 2.220 179.095 176.870 0.008 0.000 1.073 511 L CA 1.238 56.086 54.840 0.015 0.000 0.745 511 L CB -0.439 41.631 42.059 0.019 0.000 0.894 511 L HN 0.214 nan 8.230 nan 0.000 0.432 512 L N -0.967 120.243 121.223 -0.021 0.000 2.079 512 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 512 L C 2.666 179.529 176.870 -0.012 0.000 1.081 512 L CA 1.049 55.878 54.840 -0.019 0.000 0.752 512 L CB -0.543 41.491 42.059 -0.042 0.000 0.896 512 L HN 0.196 nan 8.230 nan 0.000 0.433 513 S N -0.680 115.010 115.700 -0.017 0.000 2.419 513 S HA -0.177 4.292 4.470 -0.001 0.000 0.235 513 S C 1.912 176.513 174.600 0.002 0.000 1.019 513 S CA 0.995 59.188 58.200 -0.011 0.000 0.982 513 S CB -0.157 63.033 63.200 -0.016 0.000 0.789 513 S HN 0.465 nan 8.310 nan 0.000 0.490 514 Q N 0.458 120.266 119.800 0.013 0.000 2.230 514 Q HA 0.184 4.524 4.340 -0.001 0.000 0.202 514 Q C 1.476 177.491 176.000 0.025 0.000 0.963 514 Q CA 0.710 56.528 55.803 0.025 0.000 0.866 514 Q CB -0.745 28.019 28.738 0.044 0.000 0.931 514 Q HN 0.537 nan 8.270 nan 0.000 0.452 515 G N 0.058 108.872 108.800 0.022 0.000 2.796 515 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.226 515 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.226 515 G C 0.428 175.347 174.900 0.033 0.000 1.381 515 G CA 0.086 45.200 45.100 0.022 0.000 0.867 515 G HN 0.771 nan 8.290 nan 0.000 0.552 516 G N -0.825 107.993 108.800 0.030 0.000 2.578 516 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.275 516 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.275 516 G C 1.002 175.929 174.900 0.044 0.000 1.271 516 G CA 1.256 46.377 45.100 0.035 0.000 0.941 516 G HN 1.601 nan 8.290 nan 0.000 0.564 517 R N 0.108 120.638 120.500 0.050 0.000 2.159 517 R HA 0.082 4.421 4.340 -0.001 0.000 0.237 517 R C 3.165 179.516 176.300 0.086 0.000 1.131 517 R CA 2.213 58.349 56.100 0.059 0.000 0.982 517 R CB -0.547 29.791 30.300 0.063 0.000 0.868 517 R HN 0.746 nan 8.270 nan 0.000 0.453 518 A N 0.556 123.434 122.820 0.096 0.000 1.930 518 A HA -0.073 4.246 4.320 -0.001 0.000 0.217 518 A C 2.291 179.928 177.584 0.087 0.000 1.175 518 A CA 1.525 53.636 52.037 0.123 0.000 0.627 518 A CB -0.597 18.471 19.000 0.115 0.000 0.815 518 A HN 0.392 nan 8.150 nan 0.000 0.443 519 A N -0.726 122.130 122.820 0.060 0.000 1.902 519 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 519 A C 2.295 179.911 177.584 0.054 0.000 1.181 519 A CA 2.257 54.319 52.037 0.041 0.000 0.623 519 A CB -1.314 17.704 19.000 0.029 0.000 0.818 519 A HN 0.429 nan 8.150 nan 0.000 0.443 520 T N -0.503 114.093 114.554 0.071 0.000 2.720 520 T HA -0.227 4.123 4.350 -0.001 0.000 0.268 520 T C 1.904 176.663 174.700 0.099 0.000 1.037 520 T CA 1.639 63.806 62.100 0.112 0.000 1.144 520 T CB -0.822 68.069 68.868 0.037 0.000 0.864 520 T HN 0.572 nan 8.240 nan 0.000 0.444 521 C N 1.384 120.713 119.300 0.049 0.000 2.413 521 C HA 0.022 4.482 4.460 -0.001 0.000 0.276 521 C C 3.142 178.129 174.990 -0.005 0.000 1.248 521 C CA 0.508 59.514 59.018 -0.019 0.000 1.742 521 C CB -1.593 26.139 27.740 -0.014 0.000 2.017 521 C HN 0.747 nan 8.230 nan 0.000 0.481 522 G N 0.056 108.882 108.800 0.044 0.000 2.418 522 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.217 522 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.217 522 G C 1.619 176.539 174.900 0.035 0.000 1.158 522 G CA 1.087 46.232 45.100 0.075 0.000 0.771 522 G HN 0.640 nan 8.290 nan 0.000 0.545 523 K N -0.737 119.654 120.400 -0.016 0.000 1.985 523 K HA -0.113 4.207 4.320 -0.001 0.000 0.210 523 K C 2.255 178.695 176.600 -0.266 0.000 1.047 523 K CA 1.370 57.581 56.287 -0.127 0.000 0.932 523 K CB -0.321 32.109 32.500 -0.116 0.000 0.716 523 K HN 0.374 nan 8.250 nan 0.000 0.439 524 Y N 0.920 121.031 120.300 -0.315 0.000 2.206 524 Y HA -0.042 4.507 4.550 -0.001 0.000 0.292 524 Y C 2.092 177.637 175.900 -0.592 0.000 1.123 524 Y CA 0.950 58.669 58.100 -0.636 0.000 1.142 524 Y CB -0.199 37.620 38.460 -1.069 0.000 1.006 524 Y HN -0.015 nan 8.280 nan 0.000 0.518 525 L N -1.824 119.232 121.223 -0.278 0.000 2.141 525 L HA -0.156 4.183 4.340 -0.001 0.000 0.209 525 L C 0.792 177.389 176.870 -0.456 0.000 1.094 525 L CA 1.361 55.997 54.840 -0.341 0.000 0.763 525 L CB -0.413 41.293 42.059 -0.589 0.000 0.908 525 L HN 0.167 nan 8.230 nan 0.000 0.437 526 F N -1.427 118.452 119.950 -0.119 0.000 2.735 526 F HA 0.186 4.712 4.527 -0.001 0.000 0.304 526 F C 1.696 177.175 175.800 -0.536 0.000 1.119 526 F CA -0.274 57.466 58.000 -0.433 0.000 1.280 526 F CB -0.660 38.077 39.000 -0.438 0.000 0.994 526 F HN 0.023 nan 8.300 nan 0.000 0.520 527 N N 1.116 119.724 118.700 -0.155 0.000 2.272 527 N HA -0.184 4.556 4.740 -0.001 0.000 0.185 527 N C 1.961 177.424 175.510 -0.079 0.000 1.014 527 N CA 1.484 54.458 53.050 -0.126 0.000 0.870 527 N CB -0.093 38.338 38.487 -0.094 0.000 0.975 527 N HN 0.610 nan 8.380 nan 0.000 0.433 528 W N 0.344 121.675 121.300 0.052 0.000 2.421 528 W HA 0.036 4.696 4.660 -0.001 0.000 0.270 528 W C 1.485 178.054 176.519 0.084 0.000 1.233 528 W CA 0.638 58.025 57.345 0.069 0.000 1.226 528 W CB -0.640 28.872 29.460 0.086 0.000 1.121 528 W HN -0.016 nan 8.180 nan 0.000 0.579 529 A N 1.623 124.017 122.820 -0.711 0.000 2.016 529 A HA 0.130 4.450 4.320 -0.001 0.000 0.217 529 A C 1.272 178.703 177.584 -0.254 0.000 1.162 529 A CA 1.191 52.832 52.037 -0.660 0.000 0.662 529 A CB -0.940 17.451 19.000 -1.015 0.000 0.812 529 A HN 0.117 nan 8.150 nan 0.000 0.450 530 V N -2.014 117.781 119.914 -0.198 0.000 2.904 530 V HA 0.340 4.460 4.120 -0.001 0.000 0.305 530 V C 0.989 177.046 176.094 -0.062 0.000 1.067 530 V CA -0.225 62.001 62.300 -0.123 0.000 1.044 530 V CB 1.326 33.074 31.823 -0.124 0.000 1.050 530 V HN 0.541 nan 8.190 nan 0.000 0.475 531 K N 0.812 121.182 120.400 -0.050 0.000 2.098 531 K HA 0.079 4.398 4.320 -0.001 0.000 0.203 531 K C 0.666 177.243 176.600 -0.037 0.000 1.051 531 K CA 0.916 57.185 56.287 -0.030 0.000 0.957 531 K CB -0.359 32.126 32.500 -0.025 0.000 0.738 531 K HN 0.630 nan 8.250 nan 0.000 0.447 532 T N 2.813 117.338 114.554 -0.047 0.000 3.005 532 T HA 0.234 4.584 4.350 -0.001 0.000 0.323 532 T C -0.594 174.072 174.700 -0.057 0.000 1.131 532 T CA -0.511 61.561 62.100 -0.047 0.000 0.977 532 T CB 0.716 69.557 68.868 -0.045 0.000 1.055 532 T HN 0.026 nan 8.240 nan 0.000 0.562 533 K N 2.132 122.500 120.400 -0.052 0.000 2.397 533 K HA 0.306 4.625 4.320 -0.001 0.000 0.265 533 K C 0.208 176.765 176.600 -0.071 0.000 0.982 533 K CA -0.159 56.093 56.287 -0.059 0.000 0.931 533 K CB 0.199 32.675 32.500 -0.039 0.000 0.943 533 K HN 0.272 nan 8.250 nan 0.000 0.501 534 L N 1.801 122.965 121.223 -0.098 0.000 2.635 534 L HA 0.281 4.621 4.340 -0.001 0.000 0.250 534 L C 1.647 178.450 176.870 -0.112 0.000 1.117 534 L CA -0.053 54.718 54.840 -0.114 0.000 0.834 534 L CB 0.448 42.412 42.059 -0.158 0.000 1.544 534 L HN 0.710 nan 8.230 nan 0.000 0.511 535 K N 0.022 120.352 120.400 -0.116 0.000 1.965 535 K HA -0.037 4.282 4.320 -0.001 0.000 0.214 535 K C -0.458 176.079 176.600 -0.106 0.000 1.046 535 K CA 0.553 56.787 56.287 -0.088 0.000 0.944 535 K CB -0.380 32.081 32.500 -0.065 0.000 0.726 535 K HN 0.143 nan 8.250 nan 0.000 0.441 536 L N 2.215 123.314 121.223 -0.207 0.000 3.000 536 L HA -0.135 4.204 4.340 -0.001 0.000 0.682 536 L C -0.442 176.468 176.870 0.065 0.000 1.047 536 L CA 1.238 55.934 54.840 -0.239 0.000 1.334 536 L CB -2.178 39.752 42.059 -0.215 0.000 1.859 536 L HN 0.824 nan 8.230 nan 0.000 0.890 537 T N 0.211 114.864 114.554 0.166 0.000 2.949 537 T HA 0.886 5.236 4.350 -0.001 0.000 0.287 537 T C -2.546 172.296 174.700 0.237 0.000 1.034 537 T CA -2.323 59.879 62.100 0.171 0.000 1.018 537 T CB 1.983 70.915 68.868 0.106 0.000 1.135 537 T HN 0.173 nan 8.240 nan 0.000 0.532 538 P HA 0.222 nan 4.420 nan 0.000 0.263 538 P C -0.529 176.802 177.300 0.051 0.000 1.195 538 P CA -0.067 63.091 63.100 0.097 0.000 0.762 538 P CB 0.021 31.756 31.700 0.060 0.000 0.799 539 I N 6.825 127.381 120.570 -0.024 0.000 2.436 539 I HA 0.060 4.230 4.170 -0.001 0.000 0.289 539 I C -1.138 174.950 176.117 -0.047 0.000 1.083 539 I CA -1.646 59.602 61.300 -0.087 0.000 1.372 539 I CB 0.900 38.760 38.000 -0.234 0.000 1.408 539 I HN 0.339 nan 8.210 nan 0.000 0.516 540 P HA -0.260 nan 4.420 nan 0.000 0.215 540 P C 1.476 178.758 177.300 -0.029 0.000 1.163 540 P CA 1.413 64.502 63.100 -0.018 0.000 0.894 540 P CB 0.206 31.901 31.700 -0.009 0.000 0.791 541 A N -0.437 122.362 122.820 -0.036 0.000 2.131 541 A HA -0.129 4.191 4.320 -0.001 0.000 0.220 541 A C 2.253 179.807 177.584 -0.050 0.000 1.158 541 A CA 1.846 53.860 52.037 -0.037 0.000 0.665 541 A CB -1.511 17.469 19.000 -0.034 0.000 0.795 541 A HN 0.212 nan 8.150 nan 0.000 0.460 542 A N 0.632 123.416 122.820 -0.059 0.000 1.908 542 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 542 A C 2.504 180.044 177.584 -0.074 0.000 1.181 542 A CA 2.389 54.384 52.037 -0.069 0.000 0.627 542 A CB -1.094 17.869 19.000 -0.063 0.000 0.818 542 A HN 1.112 nan 8.150 nan 0.000 0.445 543 S N -0.207 115.459 115.700 -0.057 0.000 2.419 543 S HA -0.265 4.205 4.470 -0.001 0.000 0.233 543 S C 1.795 176.358 174.600 -0.061 0.000 1.016 543 S CA 1.461 59.627 58.200 -0.056 0.000 0.974 543 S CB -0.611 62.567 63.200 -0.037 0.000 0.786 543 S HN 0.724 nan 8.310 nan 0.000 0.492 544 Q N 0.765 120.532 119.800 -0.056 0.000 2.224 544 Q HA 0.175 4.515 4.340 -0.001 0.000 0.203 544 Q C 0.244 176.202 176.000 -0.070 0.000 0.970 544 Q CA 0.364 56.136 55.803 -0.051 0.000 0.865 544 Q CB -0.509 28.206 28.738 -0.038 0.000 0.922 544 Q HN 0.555 nan 8.270 nan 0.000 0.445 545 L N 2.701 123.865 121.223 -0.099 0.000 2.584 545 L HA -0.024 4.316 4.340 -0.001 0.000 0.272 545 L C 0.251 177.018 176.870 -0.172 0.000 1.195 545 L CA -0.284 54.470 54.840 -0.143 0.000 0.920 545 L CB 0.043 41.979 42.059 -0.204 0.000 1.173 545 L HN 0.042 nan 8.230 nan 0.000 0.489 546 D N 4.504 124.819 120.400 -0.142 0.000 2.470 546 D HA 0.088 4.728 4.640 -0.001 0.000 0.226 546 D C 0.394 176.556 176.300 -0.230 0.000 1.196 546 D CA -0.203 53.719 54.000 -0.131 0.000 0.979 546 D CB 0.885 41.650 40.800 -0.059 0.000 1.059 546 D HN 0.276 nan 8.370 nan 0.000 0.515 547 L N 2.357 123.372 121.223 -0.347 0.000 2.628 547 L HA 0.088 4.427 4.340 -0.001 0.000 0.229 547 L C 0.817 177.520 176.870 -0.278 0.000 1.137 547 L CA 0.090 54.557 54.840 -0.623 0.000 0.909 547 L CB -0.516 41.090 42.059 -0.754 0.000 1.137 547 L HN 0.246 nan 8.230 nan 0.000 0.470 548 S N -0.658 114.972 115.700 -0.117 0.000 2.430 548 S HA 0.556 5.026 4.470 -0.001 0.000 0.282 548 S C 1.130 175.747 174.600 0.029 0.000 1.186 548 S CA 0.141 58.328 58.200 -0.020 0.000 1.060 548 S CB 0.718 63.909 63.200 -0.014 0.000 0.966 548 S HN 0.472 nan 8.310 nan 0.000 0.501 549 G N 2.763 111.612 108.800 0.083 0.000 2.551 549 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.186 549 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.186 549 G C 0.445 175.438 174.900 0.155 0.000 1.002 549 G CA -0.145 45.006 45.100 0.085 0.000 0.723 549 G HN 0.597 nan 8.290 nan 0.000 0.481 550 W N 0.757 121.907 121.300 -0.250 0.000 2.379 550 W HA 0.429 5.089 4.660 -0.001 0.000 0.307 550 W C 0.998 177.099 176.519 -0.697 0.000 1.200 550 W CA 1.226 58.214 57.345 -0.595 0.000 1.297 550 W CB -0.313 28.544 29.460 -1.005 0.000 1.140 550 W HN 0.158 nan 8.180 nan 0.000 0.507 551 F N -0.526 119.604 119.950 0.301 0.000 2.471 551 F HA 0.321 4.847 4.527 -0.001 0.000 0.318 551 F C 0.527 176.452 175.800 0.208 0.000 1.308 551 F CA -0.568 57.601 58.000 0.282 0.000 1.162 551 F CB -0.151 38.983 39.000 0.224 0.000 1.383 551 F HN -0.386 nan 8.300 nan 0.000 0.552 552 V N -0.040 120.055 119.914 0.303 0.000 2.854 552 V HA 0.619 4.738 4.120 -0.001 0.000 0.236 552 V C 0.860 177.071 176.094 0.196 0.000 1.157 552 V CA 0.567 62.992 62.300 0.209 0.000 1.187 552 V CB 0.379 32.306 31.823 0.174 0.000 0.949 552 V HN 0.416 nan 8.190 nan 0.000 0.488 553 A N -0.582 122.304 122.820 0.110 0.000 2.594 553 A HA 0.790 5.110 4.320 -0.001 0.000 0.291 553 A C -0.233 176.972 177.584 -0.632 0.000 1.105 553 A CA 0.081 52.038 52.037 -0.133 0.000 0.694 553 A CB 1.151 19.950 19.000 -0.336 0.000 1.291 553 A HN 0.416 nan 8.150 nan 0.000 0.410 554 G N -1.309 106.827 108.800 -1.106 0.000 2.400 554 G HA2 0.530 4.489 3.960 -0.001 0.000 0.301 554 G HA3 0.530 4.489 3.960 -0.001 0.000 0.301 554 G C -0.838 173.365 174.900 -1.163 0.000 1.154 554 G CA -0.056 44.026 45.100 -1.697 0.000 0.852 554 G HN 0.606 nan 8.290 nan 0.000 0.511 555 Y N 0.442 120.524 120.300 -0.364 0.000 2.768 555 Y HA 0.287 4.837 4.550 -0.001 0.000 0.249 555 Y C 1.334 177.165 175.900 -0.115 0.000 1.146 555 Y CA -0.843 57.154 58.100 -0.171 0.000 1.171 555 Y CB 0.414 38.821 38.460 -0.088 0.000 1.249 555 Y HN 0.503 nan 8.280 nan 0.000 0.567 556 S N 0.928 116.606 115.700 -0.036 0.000 2.673 556 S HA 0.280 4.750 4.470 -0.001 0.000 0.308 556 S C 1.478 176.106 174.600 0.045 0.000 1.246 556 S CA 1.575 59.787 58.200 0.020 0.000 1.077 556 S CB -0.160 63.056 63.200 0.027 0.000 0.814 556 S HN 1.067 nan 8.310 nan 0.000 0.503 557 G N 3.671 112.501 108.800 0.049 0.000 2.184 557 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.264 557 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.264 557 G C 0.850 175.788 174.900 0.062 0.000 0.975 557 G CA 0.379 45.512 45.100 0.055 0.000 0.642 557 G HN 1.373 nan 8.290 nan 0.000 0.536 558 G N -0.043 108.801 108.800 0.074 0.000 3.026 558 G HA2 0.361 4.320 3.960 -0.001 0.000 0.208 558 G HA3 0.361 4.320 3.960 -0.001 0.000 0.208 558 G C 0.535 175.460 174.900 0.041 0.000 1.169 558 G CA 1.158 46.315 45.100 0.094 0.000 0.788 558 G HN 1.150 nan 8.290 nan 0.000 0.533 559 D N -0.607 119.787 120.400 -0.010 0.000 2.689 559 D HA -0.164 4.475 4.640 -0.001 0.000 0.237 559 D C 0.028 176.259 176.300 -0.114 0.000 1.148 559 D CA 0.406 54.370 54.000 -0.059 0.000 0.656 559 D CB -1.075 39.704 40.800 -0.035 0.000 1.050 559 D HN 0.118 nan 8.370 nan 0.000 0.426 560 I N 1.008 121.477 120.570 -0.168 0.000 2.412 560 I HA 0.421 4.591 4.170 -0.001 0.000 0.296 560 I C 0.133 176.020 176.117 -0.383 0.000 0.987 560 I CA -0.708 60.386 61.300 -0.344 0.000 1.180 560 I CB 1.227 38.909 38.000 -0.530 0.000 1.340 560 I HN 0.094 nan 8.210 nan 0.000 0.455 561 Y N 5.355 125.264 120.300 -0.652 0.000 2.545 561 Y HA 0.569 5.118 4.550 -0.001 0.000 0.348 561 Y C -1.268 174.135 175.900 -0.828 0.000 1.002 561 Y CA -0.607 57.121 58.100 -0.620 0.000 1.039 561 Y CB 1.850 40.080 38.460 -0.383 0.000 1.271 561 Y HN 0.626 nan 8.280 nan 0.000 0.467 562 H N 2.066 120.350 119.070 -1.311 0.000 2.954 562 H HA 0.478 5.033 4.556 -0.001 0.000 0.361 562 H C -0.418 174.391 175.328 -0.864 0.000 1.122 562 H CA -0.319 55.207 56.048 -0.870 0.000 1.217 562 H CB 1.869 31.242 29.762 -0.649 0.000 1.776 562 H HN 0.933 nan 8.280 nan 0.000 0.533 563 S N 0.000 115.569 115.700 -0.218 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 563 S CA 0.000 58.170 58.200 -0.049 0.000 1.107 563 S CB 0.000 63.242 63.200 0.070 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517