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 3cwj_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.569 174.600 -0.052 0.000 1.055 1 S CA 0.000 58.178 58.200 -0.036 0.000 1.107 1 S CB 0.000 63.171 63.200 -0.049 0.000 0.593 2 M N 2.940 122.502 119.600 -0.063 0.000 2.200 2 M HA 0.312 4.792 4.480 0.000 0.000 0.355 2 M C 1.830 178.017 176.300 -0.188 0.000 1.283 2 M CA -0.067 55.178 55.300 -0.090 0.000 1.124 2 M CB 0.569 33.134 32.600 -0.057 0.000 1.625 2 M HN 1.007 nan 8.290 nan 0.000 0.463 3 S N 2.856 118.380 115.700 -0.292 0.000 2.370 3 S HA -0.102 4.368 4.470 0.000 0.000 0.226 3 S C 0.163 174.327 174.600 -0.727 0.000 1.033 3 S CA 1.029 58.924 58.200 -0.508 0.000 1.011 3 S CB -0.252 62.586 63.200 -0.603 0.000 0.852 3 S HN 0.647 nan 8.310 nan 0.000 0.457 4 Y N -0.068 120.054 120.300 -0.297 0.000 2.553 4 Y HA 0.607 5.157 4.550 0.000 0.000 0.347 4 Y C -0.139 175.416 175.900 -0.575 0.000 1.019 4 Y CA -1.018 56.764 58.100 -0.530 0.000 1.032 4 Y CB 2.091 40.076 38.460 -0.792 0.000 1.284 4 Y HN -0.138 nan 8.280 nan 0.000 0.466 5 T N 1.296 115.540 114.554 -0.516 0.000 2.876 5 T HA 0.431 4.781 4.350 0.000 0.000 0.289 5 T C -1.532 172.841 174.700 -0.544 0.000 1.014 5 T CA -0.834 61.029 62.100 -0.394 0.000 0.986 5 T CB 0.673 69.459 68.868 -0.137 0.000 1.021 5 T HN 0.464 nan 8.240 nan 0.000 0.458 6 W N 1.294 122.648 121.300 0.091 0.000 2.587 6 W HA 0.377 5.037 4.660 0.000 0.000 0.324 6 W C 1.582 178.130 176.519 0.048 0.000 1.040 6 W CA -0.978 56.405 57.345 0.063 0.000 1.222 6 W CB 1.063 30.545 29.460 0.037 0.000 1.381 6 W HN 0.814 nan 8.180 nan 0.000 0.483 7 T N -1.499 113.219 114.554 0.273 0.000 2.951 7 T HA 0.173 4.523 4.350 0.000 0.000 0.268 7 T C 1.549 176.339 174.700 0.150 0.000 1.073 7 T CA 1.300 63.499 62.100 0.165 0.000 1.134 7 T CB -0.243 68.702 68.868 0.128 0.000 0.884 7 T HN 1.238 nan 8.240 nan 0.000 0.479 8 G N 0.981 109.889 108.800 0.180 0.000 2.218 8 G HA2 0.058 4.018 3.960 0.000 0.000 0.216 8 G HA3 0.058 4.018 3.960 0.000 0.000 0.216 8 G C 0.325 175.258 174.900 0.055 0.000 0.994 8 G CA -0.100 45.058 45.100 0.097 0.000 0.637 8 G HN 1.132 nan 8.290 nan 0.000 0.505 9 A N 0.474 123.339 122.820 0.076 0.000 2.445 9 A HA 0.669 4.989 4.320 0.000 0.000 0.242 9 A C 0.671 178.266 177.584 0.018 0.000 1.075 9 A CA 0.187 52.253 52.037 0.048 0.000 0.777 9 A CB 0.258 19.295 19.000 0.061 0.000 1.013 9 A HN 0.908 nan 8.150 nan 0.000 0.493 10 L N 1.788 123.009 121.223 -0.004 0.000 2.417 10 L HA 0.247 4.587 4.340 0.000 0.000 0.268 10 L C 0.102 176.957 176.870 -0.025 0.000 1.158 10 L CA -0.081 54.739 54.840 -0.034 0.000 0.819 10 L CB 0.726 42.768 42.059 -0.027 0.000 1.112 10 L HN 0.544 nan 8.230 nan 0.000 0.458 11 I N 2.177 122.714 120.570 -0.056 0.000 2.436 11 I HA 0.089 4.259 4.170 0.000 0.000 0.289 11 I C 0.377 176.487 176.117 -0.013 0.000 1.083 11 I CA 0.007 61.288 61.300 -0.031 0.000 1.372 11 I CB 0.362 38.325 38.000 -0.062 0.000 1.408 11 I HN 0.632 nan 8.210 nan 0.000 0.516 12 T N 5.072 119.630 114.554 0.006 0.000 2.823 12 T HA 0.587 4.937 4.350 0.000 0.000 0.279 12 T C -2.432 172.284 174.700 0.026 0.000 0.998 12 T CA -2.050 60.057 62.100 0.012 0.000 0.994 12 T CB 1.853 70.728 68.868 0.011 0.000 0.960 12 T HN 0.254 nan 8.240 nan 0.000 0.448 13 P HA 0.365 nan 4.420 nan 0.000 0.278 13 P C 0.317 177.639 177.300 0.036 0.000 1.266 13 P CA -0.701 62.422 63.100 0.038 0.000 0.807 13 P CB 0.898 32.620 31.700 0.037 0.000 1.094 14 C N 0.633 119.958 119.300 0.042 0.000 5.003 14 C HA 0.264 4.724 4.460 0.000 0.000 0.292 14 C C 1.838 176.845 174.990 0.029 0.000 1.294 14 C CA 1.303 60.342 59.018 0.035 0.000 1.820 14 C CB -1.211 26.551 27.740 0.037 0.000 2.115 14 C HN 0.666 nan 8.230 nan 0.000 0.469 15 A N 0.243 123.082 122.820 0.031 0.000 2.250 15 A HA 0.640 4.960 4.320 0.000 0.000 0.283 15 A C 0.170 177.777 177.584 0.038 0.000 1.206 15 A CA 0.341 52.397 52.037 0.031 0.000 0.840 15 A CB -0.443 18.576 19.000 0.032 0.000 1.220 15 A HN 0.855 nan 8.150 nan 0.000 0.505 16 A N -0.337 122.508 122.820 0.041 0.000 2.462 16 A HA 0.483 4.803 4.320 0.000 0.000 0.243 16 A C -0.038 177.586 177.584 0.067 0.000 1.076 16 A CA -0.027 52.040 52.037 0.050 0.000 0.773 16 A CB -0.220 18.808 19.000 0.046 0.000 1.010 16 A HN 0.715 nan 8.150 nan 0.000 0.493 17 E N 1.279 121.525 120.200 0.076 0.000 2.166 17 E HA 0.317 4.668 4.350 0.000 0.000 0.275 17 E C -0.944 175.739 176.600 0.139 0.000 0.941 17 E CA -0.398 56.063 56.400 0.102 0.000 0.784 17 E CB 1.536 31.287 29.700 0.085 0.000 1.115 17 E HN 0.714 nan 8.360 nan 0.000 0.399 18 E N 1.254 121.579 120.200 0.209 0.000 2.229 18 E HA 0.064 4.414 4.350 0.000 0.000 0.283 18 E C 0.326 177.151 176.600 0.376 0.000 1.030 18 E CA -0.116 56.454 56.400 0.283 0.000 0.836 18 E CB 1.098 31.013 29.700 0.358 0.000 1.068 18 E HN 0.559 nan 8.360 nan 0.000 0.401 19 S N 2.970 118.858 115.700 0.312 0.000 2.475 19 S HA 0.076 4.546 4.470 0.000 0.000 0.224 19 S C 0.697 175.566 174.600 0.448 0.000 1.042 19 S CA 0.005 58.413 58.200 0.345 0.000 0.935 19 S CB 0.362 63.701 63.200 0.230 0.000 0.801 19 S HN 0.182 nan 8.310 nan 0.000 0.509 20 K N 1.730 122.317 120.400 0.311 0.000 2.143 20 K HA 0.364 4.684 4.320 0.000 0.000 0.272 20 K C -0.643 175.964 176.600 0.012 0.000 1.001 20 K CA -0.795 55.620 56.287 0.213 0.000 0.915 20 K CB 1.579 34.144 32.500 0.108 0.000 1.047 20 K HN 0.284 nan 8.250 nan 0.000 0.458 21 L N 5.130 126.340 121.223 -0.022 0.000 2.628 21 L HA 0.010 4.350 4.340 0.000 0.000 0.274 21 L C -2.228 174.340 176.870 -0.503 0.000 1.209 21 L CA -0.530 54.070 54.840 -0.401 0.000 0.930 21 L CB -0.213 41.802 42.059 -0.074 0.000 1.183 21 L HN 0.375 nan 8.230 nan 0.000 0.492 22 P HA 0.227 nan 4.420 nan 0.000 0.271 22 P C -0.937 176.127 177.300 -0.395 0.000 1.216 22 P CA -0.092 62.700 63.100 -0.512 0.000 0.771 22 P CB 0.588 31.937 31.700 -0.585 0.000 0.864 23 I N 3.192 123.590 120.570 -0.286 0.000 2.493 23 I HA 0.386 4.557 4.170 0.000 0.000 0.298 23 I C 0.586 176.601 176.117 -0.170 0.000 0.998 23 I CA -0.542 60.601 61.300 -0.261 0.000 1.137 23 I CB 1.587 39.431 38.000 -0.261 0.000 1.310 23 I HN 0.493 nan 8.210 nan 0.000 0.445 24 N N 3.948 122.564 118.700 -0.140 0.000 3.513 24 N HA 0.436 5.176 4.740 0.000 0.000 0.351 24 N C 0.359 175.832 175.510 -0.062 0.000 1.624 24 N CA -0.319 52.677 53.050 -0.089 0.000 0.712 24 N CB 0.367 38.805 38.487 -0.082 0.000 2.106 24 N HN 0.374 nan 8.380 nan 0.000 0.649 25 A N -0.608 122.186 122.820 -0.044 0.000 2.066 25 A HA 0.200 4.520 4.320 0.000 0.000 0.218 25 A C 1.819 179.391 177.584 -0.020 0.000 1.157 25 A CA 0.796 52.817 52.037 -0.028 0.000 0.670 25 A CB -0.891 18.094 19.000 -0.025 0.000 0.804 25 A HN 0.501 nan 8.150 nan 0.000 0.453 26 L N -1.079 120.131 121.223 -0.022 0.000 2.477 26 L HA 0.038 4.378 4.340 0.000 0.000 0.220 26 L C 2.412 179.306 176.870 0.041 0.000 1.106 26 L CA 0.505 55.350 54.840 0.007 0.000 0.851 26 L CB -0.166 41.884 42.059 -0.016 0.000 0.994 26 L HN 0.185 nan 8.230 nan 0.000 0.462 27 S N 0.639 116.336 115.700 -0.004 0.000 2.374 27 S HA -0.167 4.303 4.470 0.000 0.000 0.227 27 S C 1.749 176.382 174.600 0.055 0.000 1.037 27 S CA 1.548 59.736 58.200 -0.018 0.000 1.024 27 S CB -0.276 62.831 63.200 -0.156 0.000 0.861 27 S HN 0.463 nan 8.310 nan 0.000 0.456 28 N N 1.369 120.116 118.700 0.079 0.000 2.270 28 N HA -0.031 4.710 4.740 0.000 0.000 0.181 28 N C 1.910 177.434 175.510 0.023 0.000 1.016 28 N CA 1.238 54.350 53.050 0.103 0.000 0.870 28 N CB -0.476 38.061 38.487 0.085 0.000 0.979 28 N HN 0.562 nan 8.380 nan 0.000 0.431 29 S N -0.165 115.535 115.700 -0.000 0.000 2.442 29 S HA -0.075 4.395 4.470 0.000 0.000 0.236 29 S C 1.821 176.381 174.600 -0.067 0.000 1.007 29 S CA 0.560 58.725 58.200 -0.059 0.000 0.965 29 S CB -0.189 62.992 63.200 -0.032 0.000 0.773 29 S HN 0.200 nan 8.310 nan 0.000 0.504 30 L N -0.423 120.775 121.223 -0.041 0.000 2.286 30 L HA 0.597 4.937 4.340 0.000 0.000 0.203 30 L C 0.074 176.969 176.870 0.041 0.000 1.068 30 L CA 0.887 55.694 54.840 -0.056 0.000 0.811 30 L CB 0.145 41.966 42.059 -0.396 0.000 0.989 30 L HN 0.451 nan 8.230 nan 0.000 0.467 31 L N -1.522 119.727 121.223 0.044 0.000 2.482 31 L HA 0.425 4.765 4.340 0.000 0.000 0.263 31 L C 0.487 177.399 176.870 0.069 0.000 0.957 31 L CA -0.257 54.618 54.840 0.058 0.000 0.836 31 L CB 1.659 43.789 42.059 0.118 0.000 1.324 31 L HN -0.117 nan 8.230 nan 0.000 0.406 32 R N 0.805 121.231 120.500 -0.125 0.000 2.142 32 R HA 0.219 4.559 4.340 0.000 0.000 0.204 32 R C -0.062 176.018 176.300 -0.366 0.000 1.059 32 R CA 0.321 56.256 56.100 -0.275 0.000 1.055 32 R CB 0.134 30.276 30.300 -0.262 0.000 0.976 32 R HN 0.681 nan 8.270 nan 0.000 0.483 33 H N 0.897 119.888 119.070 -0.133 0.000 2.998 33 H HA 0.085 4.642 4.556 0.000 0.000 0.241 33 H C 0.674 176.020 175.328 0.031 0.000 1.852 33 H CA -0.253 55.746 56.048 -0.082 0.000 1.419 33 H CB -0.113 29.644 29.762 -0.009 0.000 1.793 33 H HN 0.356 nan 8.280 nan 0.000 0.553 34 H N 1.243 120.401 119.070 0.148 0.000 2.353 34 H HA -0.169 4.387 4.556 0.000 0.000 0.300 34 H C 2.001 177.404 175.328 0.125 0.000 1.090 34 H CA 0.964 57.075 56.048 0.105 0.000 1.327 34 H CB 0.276 30.073 29.762 0.059 0.000 1.383 34 H HN 0.633 nan 8.280 nan 0.000 0.508 35 N N 1.177 120.009 118.700 0.221 0.000 2.585 35 N HA -0.143 4.597 4.740 0.000 0.000 0.188 35 N C 1.362 176.981 175.510 0.183 0.000 1.102 35 N CA 0.885 54.037 53.050 0.170 0.000 0.920 35 N CB -0.234 38.316 38.487 0.104 0.000 0.963 35 N HN 0.386 nan 8.380 nan 0.000 0.447 36 M N 0.137 119.859 119.600 0.203 0.000 2.349 36 M HA 0.103 4.583 4.480 0.000 0.000 0.266 36 M C 0.102 176.572 176.300 0.283 0.000 1.076 36 M CA 0.372 55.800 55.300 0.215 0.000 1.126 36 M CB 0.048 32.771 32.600 0.205 0.000 1.392 36 M HN -0.093 nan 8.290 nan 0.000 0.440 37 V N 1.649 121.738 119.914 0.290 0.000 2.394 37 V HA 0.256 4.376 4.120 0.000 0.000 0.282 37 V C -0.652 175.688 176.094 0.411 0.000 1.031 37 V CA -0.727 61.755 62.300 0.304 0.000 0.881 37 V CB 0.717 32.702 31.823 0.271 0.000 0.982 37 V HN 0.351 nan 8.190 nan 0.000 0.451 38 Y N 2.951 123.419 120.300 0.279 0.000 2.609 38 Y HA 0.937 5.487 4.550 0.000 0.000 0.342 38 Y C -0.405 175.608 175.900 0.189 0.000 1.058 38 Y CA -1.541 56.734 58.100 0.291 0.000 1.055 38 Y CB 1.800 40.380 38.460 0.199 0.000 1.292 38 Y HN 0.652 nan 8.280 nan 0.000 0.476 39 A N 1.507 124.426 122.820 0.166 0.000 2.343 39 A HA 0.627 4.947 4.320 0.000 0.000 0.316 39 A C -0.244 177.432 177.584 0.154 0.000 1.104 39 A CA -0.462 51.471 52.037 -0.174 0.000 0.768 39 A CB 0.456 19.061 19.000 -0.659 0.000 1.213 39 A HN 1.079 nan 8.150 nan 0.000 0.456 40 T N 0.495 115.137 114.554 0.146 0.000 2.930 40 T HA 0.496 4.846 4.350 0.000 0.000 0.306 40 T C 0.509 175.276 174.700 0.111 0.000 1.045 40 T CA 0.478 62.707 62.100 0.214 0.000 1.134 40 T CB 0.472 69.475 68.868 0.224 0.000 0.961 40 T HN 1.354 nan 8.240 nan 0.000 0.545 41 T N -1.379 113.241 114.554 0.109 0.000 2.883 41 T HA 0.490 4.840 4.350 0.000 0.000 0.284 41 T C 1.529 176.261 174.700 0.053 0.000 1.041 41 T CA -0.260 61.885 62.100 0.075 0.000 1.007 41 T CB 1.254 70.171 68.868 0.082 0.000 1.220 41 T HN 0.741 nan 8.240 nan 0.000 0.552 42 S N -0.116 115.608 115.700 0.039 0.000 2.469 42 S HA -0.134 4.336 4.470 0.000 0.000 0.238 42 S C 1.955 176.557 174.600 0.004 0.000 0.998 42 S CA 0.608 58.818 58.200 0.018 0.000 0.957 42 S CB -0.678 62.532 63.200 0.016 0.000 0.764 42 S HN 0.711 nan 8.310 nan 0.000 0.514 43 R N 2.053 122.564 120.500 0.018 0.000 2.154 43 R HA -0.078 4.262 4.340 0.000 0.000 0.248 43 R C 2.205 178.501 176.300 -0.007 0.000 1.155 43 R CA 1.689 57.795 56.100 0.009 0.000 0.979 43 R CB -0.487 29.828 30.300 0.025 0.000 0.869 43 R HN 0.722 nan 8.270 nan 0.000 0.452 44 S N -1.975 113.723 115.700 -0.002 0.000 2.554 44 S HA 0.327 4.797 4.470 0.000 0.000 0.226 44 S C 1.611 176.187 174.600 -0.041 0.000 0.980 44 S CA 0.028 58.218 58.200 -0.017 0.000 0.939 44 S CB 0.961 64.163 63.200 0.004 0.000 0.832 44 S HN 0.277 nan 8.310 nan 0.000 0.486 45 A N 2.235 125.022 122.820 -0.055 0.000 1.908 45 A HA 0.144 4.464 4.320 0.000 0.000 0.218 45 A C 2.269 179.747 177.584 -0.175 0.000 1.181 45 A CA 1.677 53.654 52.037 -0.100 0.000 0.627 45 A CB -1.692 17.247 19.000 -0.102 0.000 0.818 45 A HN 0.662 nan 8.150 nan 0.000 0.445 46 G N -0.324 108.373 108.800 -0.172 0.000 2.440 46 G HA2 -0.162 3.798 3.960 0.000 0.000 0.218 46 G HA3 -0.162 3.798 3.960 0.000 0.000 0.218 46 G C 1.365 176.165 174.900 -0.166 0.000 1.154 46 G CA 1.252 46.226 45.100 -0.210 0.000 0.767 46 G HN 0.372 nan 8.290 nan 0.000 0.552 47 L N 0.277 121.438 121.223 -0.103 0.000 2.083 47 L HA 0.036 4.376 4.340 0.000 0.000 0.209 47 L C 2.749 179.586 176.870 -0.056 0.000 1.083 47 L CA 1.557 56.357 54.840 -0.065 0.000 0.752 47 L CB -0.595 41.438 42.059 -0.043 0.000 0.899 47 L HN 0.189 nan 8.230 nan 0.000 0.433 48 R N -0.293 120.164 120.500 -0.072 0.000 2.062 48 R HA -0.117 4.223 4.340 0.000 0.000 0.229 48 R C 2.201 178.464 176.300 -0.062 0.000 1.128 48 R CA 1.393 57.466 56.100 -0.044 0.000 0.960 48 R CB -0.395 29.881 30.300 -0.040 0.000 0.855 48 R HN 0.437 nan 8.270 nan 0.000 0.432 49 Q N 0.285 119.967 119.800 -0.197 0.000 2.133 49 Q HA -0.220 4.120 4.340 0.000 0.000 0.208 49 Q C 1.983 177.972 176.000 -0.018 0.000 0.991 49 Q CA 2.245 57.886 55.803 -0.270 0.000 0.867 49 Q CB -0.188 28.050 28.738 -0.833 0.000 0.911 49 Q HN 0.350 nan 8.270 nan 0.000 0.417 50 K N 0.673 121.056 120.400 -0.029 0.000 2.097 50 K HA -0.169 4.151 4.320 0.000 0.000 0.206 50 K C 2.033 178.722 176.600 0.149 0.000 1.049 50 K CA 1.126 57.454 56.287 0.068 0.000 0.933 50 K CB -0.081 32.434 32.500 0.025 0.000 0.717 50 K HN 0.042 nan 8.250 nan 0.000 0.442 51 K N 0.941 121.418 120.400 0.129 0.000 2.155 51 K HA -0.080 4.240 4.320 0.000 0.000 0.203 51 K C 1.669 178.475 176.600 0.343 0.000 1.052 51 K CA 1.069 57.466 56.287 0.184 0.000 0.948 51 K CB 0.342 32.915 32.500 0.121 0.000 0.728 51 K HN 0.109 nan 8.250 nan 0.000 0.448 52 V N -1.958 118.137 119.914 0.302 0.000 3.647 52 V HA 0.178 4.298 4.120 0.000 0.000 0.279 52 V C -0.006 176.224 176.094 0.227 0.000 1.314 52 V CA -0.179 62.327 62.300 0.343 0.000 1.125 52 V CB 0.490 32.469 31.823 0.261 0.000 0.907 52 V HN -0.052 nan 8.190 nan 0.000 0.434 53 T N 4.347 119.090 114.554 0.315 0.000 2.801 53 T HA 0.752 5.102 4.350 0.000 0.000 0.306 53 T C -0.781 174.081 174.700 0.270 0.000 1.020 53 T CA -0.056 62.199 62.100 0.258 0.000 0.948 53 T CB 0.286 69.418 68.868 0.441 0.000 0.962 53 T HN 0.613 nan 8.240 nan 0.000 0.465 54 F N -0.253 119.795 119.950 0.162 0.000 2.741 54 F HA 0.628 5.155 4.527 0.000 0.000 0.311 54 F C -1.081 174.753 175.800 0.056 0.000 1.149 54 F CA -1.667 56.391 58.000 0.096 0.000 0.930 54 F CB 0.722 39.772 39.000 0.082 0.000 1.312 54 F HN 0.235 nan 8.300 nan 0.000 0.450 55 D N 0.859 121.427 120.400 0.281 0.000 2.304 55 D HA 0.452 5.093 4.640 0.000 0.000 0.250 55 D C -0.862 175.572 176.300 0.224 0.000 1.107 55 D CA 0.048 54.142 54.000 0.157 0.000 0.885 55 D CB 0.889 41.751 40.800 0.103 0.000 1.192 55 D HN 0.583 nan 8.370 nan 0.000 0.436 56 R N 2.461 123.032 120.500 0.118 0.000 2.445 56 R HA 0.605 4.946 4.340 0.000 0.000 0.308 56 R C -0.826 175.502 176.300 0.047 0.000 0.961 56 R CA -0.532 55.635 56.100 0.112 0.000 0.862 56 R CB 1.217 31.556 30.300 0.064 0.000 1.144 56 R HN 0.404 nan 8.270 nan 0.000 0.447 57 L N 1.750 122.995 121.223 0.037 0.000 2.342 57 L HA 0.561 4.901 4.340 0.000 0.000 0.271 57 L C -0.416 176.447 176.870 -0.012 0.000 1.008 57 L CA -0.706 54.137 54.840 0.004 0.000 0.818 57 L CB 2.046 44.104 42.059 -0.001 0.000 1.296 57 L HN 0.458 nan 8.230 nan 0.000 0.427 58 Q N 1.713 121.495 119.800 -0.030 0.000 2.263 58 Q HA 0.534 4.874 4.340 0.000 0.000 0.266 58 Q C -1.885 174.076 176.000 -0.065 0.000 1.002 58 Q CA -0.507 55.267 55.803 -0.049 0.000 0.790 58 Q CB 2.663 31.366 28.738 -0.059 0.000 1.272 58 Q HN 0.448 nan 8.270 nan 0.000 0.435 59 V N 5.461 125.330 119.914 -0.075 0.000 2.378 59 V HA 0.462 4.582 4.120 0.000 0.000 0.288 59 V C -0.370 175.686 176.094 -0.064 0.000 1.016 59 V CA -0.596 61.660 62.300 -0.073 0.000 0.840 59 V CB 1.191 32.969 31.823 -0.076 0.000 0.994 59 V HN 0.696 nan 8.190 nan 0.000 0.431 60 L N 5.292 126.464 121.223 -0.085 0.000 2.317 60 L HA 0.700 5.040 4.340 0.000 0.000 0.281 60 L C -0.242 176.646 176.870 0.030 0.000 1.024 60 L CA -0.502 54.265 54.840 -0.121 0.000 0.810 60 L CB 1.849 43.690 42.059 -0.363 0.000 1.240 60 L HN 0.764 nan 8.230 nan 0.000 0.427 61 D N -0.301 120.196 120.400 0.161 0.000 2.654 61 D HA 0.208 4.848 4.640 0.000 0.000 0.255 61 D C 0.104 176.490 176.300 0.144 0.000 1.101 61 D CA -0.629 53.454 54.000 0.139 0.000 1.116 61 D CB 0.782 41.669 40.800 0.145 0.000 1.348 61 D HN 0.405 nan 8.370 nan 0.000 0.609 62 D N -1.315 119.103 120.400 0.030 0.000 2.097 62 D HA -0.161 4.479 4.640 0.000 0.000 0.195 62 D C 1.732 178.038 176.300 0.010 0.000 0.989 62 D CA 1.300 55.285 54.000 -0.025 0.000 0.827 62 D CB -0.094 40.627 40.800 -0.131 0.000 0.966 62 D HN 0.384 nan 8.370 nan 0.000 0.456 63 H N -0.756 118.376 119.070 0.102 0.000 2.353 63 H HA -0.185 4.371 4.556 0.000 0.000 0.298 63 H C 1.974 177.330 175.328 0.047 0.000 1.103 63 H CA 1.310 57.406 56.048 0.080 0.000 1.293 63 H CB -0.750 29.079 29.762 0.111 0.000 1.372 63 H HN 0.342 nan 8.280 nan 0.000 0.501 64 Y N 1.794 122.131 120.300 0.061 0.000 2.181 64 Y HA -0.202 4.348 4.550 0.000 0.000 0.288 64 Y C 2.599 178.454 175.900 -0.075 0.000 1.146 64 Y CA 1.573 59.596 58.100 -0.130 0.000 1.164 64 Y CB -0.041 38.285 38.460 -0.224 0.000 0.982 64 Y HN -0.035 nan 8.280 nan 0.000 0.515 65 R N -0.155 120.374 120.500 0.047 0.000 2.119 65 R HA -0.098 4.242 4.340 0.000 0.000 0.222 65 R C 1.685 177.948 176.300 -0.062 0.000 1.088 65 R CA 1.157 57.237 56.100 -0.033 0.000 0.984 65 R CB -0.185 30.154 30.300 0.065 0.000 0.884 65 R HN 0.374 nan 8.270 nan 0.000 0.447 66 D N 0.235 120.625 120.400 -0.015 0.000 2.117 66 D HA -0.115 4.525 4.640 0.000 0.000 0.197 66 D C 1.927 178.210 176.300 -0.030 0.000 0.987 66 D CA 1.045 55.043 54.000 -0.003 0.000 0.829 66 D CB -0.069 40.760 40.800 0.048 0.000 0.961 66 D HN -0.013 nan 8.370 nan 0.000 0.460 67 V N 1.117 120.994 119.914 -0.063 0.000 2.358 67 V HA -0.189 3.931 4.120 0.000 0.000 0.246 67 V C 2.457 178.484 176.094 -0.111 0.000 1.047 67 V CA 0.908 63.160 62.300 -0.080 0.000 1.035 67 V CB -0.435 31.317 31.823 -0.119 0.000 0.658 67 V HN 0.127 nan 8.190 nan 0.000 0.452 68 L N 0.775 121.864 121.223 -0.224 0.000 1.990 68 L HA -0.227 4.113 4.340 0.000 0.000 0.213 68 L C 2.453 179.251 176.870 -0.121 0.000 1.072 68 L CA 2.484 57.187 54.840 -0.230 0.000 0.755 68 L CB -0.866 40.980 42.059 -0.355 0.000 0.889 68 L HN 0.305 nan 8.230 nan 0.000 0.432 69 K N -0.517 119.829 120.400 -0.090 0.000 2.044 69 K HA -0.258 4.063 4.320 0.000 0.000 0.210 69 K C 2.038 178.617 176.600 -0.036 0.000 1.049 69 K CA 2.131 58.388 56.287 -0.051 0.000 0.927 69 K CB -0.241 32.239 32.500 -0.033 0.000 0.713 69 K HN 0.518 nan 8.250 nan 0.000 0.443 70 E N 0.006 120.190 120.200 -0.027 0.000 2.085 70 E HA -0.217 4.133 4.350 0.000 0.000 0.194 70 E C 2.093 178.688 176.600 -0.009 0.000 0.994 70 E CA 1.861 58.257 56.400 -0.007 0.000 0.801 70 E CB -0.070 29.638 29.700 0.014 0.000 0.743 70 E HN 0.403 nan 8.360 nan 0.000 0.453 71 M N 0.290 119.880 119.600 -0.016 0.000 2.132 71 M HA -0.161 4.319 4.480 0.000 0.000 0.263 71 M C 2.157 178.425 176.300 -0.054 0.000 1.065 71 M CA 1.373 56.653 55.300 -0.033 0.000 1.122 71 M CB -0.147 32.432 32.600 -0.035 0.000 1.365 71 M HN -0.069 nan 8.290 nan 0.000 0.411 72 K N 0.395 120.762 120.400 -0.054 0.000 2.097 72 K HA -0.073 4.247 4.320 0.000 0.000 0.206 72 K C 2.097 178.677 176.600 -0.033 0.000 1.049 72 K CA 1.349 57.608 56.287 -0.048 0.000 0.933 72 K CB -0.220 32.251 32.500 -0.048 0.000 0.717 72 K HN 0.299 nan 8.250 nan 0.000 0.442 73 A N 1.854 124.658 122.820 -0.028 0.000 1.933 73 A HA -0.179 4.141 4.320 0.000 0.000 0.218 73 A C 1.843 179.414 177.584 -0.022 0.000 1.175 73 A CA 1.413 53.438 52.037 -0.020 0.000 0.628 73 A CB -0.174 18.818 19.000 -0.014 0.000 0.814 73 A HN 0.197 nan 8.150 nan 0.000 0.444 74 K N -0.384 119.998 120.400 -0.030 0.000 2.076 74 K HA 0.081 4.402 4.320 0.000 0.000 0.204 74 K C 2.255 178.828 176.600 -0.044 0.000 1.051 74 K CA 0.900 57.164 56.287 -0.038 0.000 0.949 74 K CB -0.305 32.164 32.500 -0.052 0.000 0.726 74 K HN 0.383 nan 8.250 nan 0.000 0.443 75 A N 1.777 124.568 122.820 -0.047 0.000 2.076 75 A HA -0.177 4.143 4.320 0.000 0.000 0.220 75 A C 2.124 179.696 177.584 -0.020 0.000 1.160 75 A CA 2.080 54.094 52.037 -0.038 0.000 0.653 75 A CB -0.613 18.365 19.000 -0.036 0.000 0.801 75 A HN 0.394 nan 8.150 nan 0.000 0.455 76 S N -0.628 115.061 115.700 -0.018 0.000 2.522 76 S HA -0.074 4.397 4.470 0.000 0.000 0.227 76 S C 1.597 176.192 174.600 -0.010 0.000 0.986 76 S CA 1.401 59.595 58.200 -0.010 0.000 0.929 76 S CB -0.880 62.315 63.200 -0.009 0.000 0.769 76 S HN 0.751 nan 8.310 nan 0.000 0.529 77 T N -0.679 113.865 114.554 -0.016 0.000 3.081 77 T HA 0.312 4.663 4.350 0.000 0.000 0.250 77 T C 0.472 175.162 174.700 -0.017 0.000 1.100 77 T CA -0.156 61.934 62.100 -0.016 0.000 1.038 77 T CB -0.359 68.497 68.868 -0.019 0.000 0.962 77 T HN 0.169 nan 8.240 nan 0.000 0.516 78 V N 1.775 121.677 119.914 -0.020 0.000 2.649 78 V HA 0.435 4.555 4.120 0.000 0.000 0.292 78 V C 0.033 176.122 176.094 -0.008 0.000 1.055 78 V CA -0.837 61.451 62.300 -0.021 0.000 1.023 78 V CB 1.265 33.069 31.823 -0.031 0.000 0.992 78 V HN 0.394 nan 8.190 nan 0.000 0.480 79 K N 3.257 123.653 120.400 -0.007 0.000 2.502 79 K HA 0.736 5.056 4.320 0.000 0.000 0.254 79 K C -0.656 175.947 176.600 0.004 0.000 0.947 79 K CA -0.357 55.931 56.287 0.002 0.000 0.834 79 K CB 1.448 33.950 32.500 0.003 0.000 1.112 79 K HN 0.861 nan 8.250 nan 0.000 0.427 80 A N 3.835 126.662 122.820 0.011 0.000 2.320 80 A HA 0.575 4.895 4.320 0.000 0.000 0.334 80 A C -1.075 176.524 177.584 0.025 0.000 1.147 80 A CA -0.854 51.191 52.037 0.013 0.000 0.820 80 A CB 0.794 19.799 19.000 0.009 0.000 1.218 80 A HN 0.835 nan 8.150 nan 0.000 0.482 81 K N 1.278 121.696 120.400 0.029 0.000 2.156 81 K HA 0.734 5.054 4.320 0.000 0.000 0.250 81 K C -1.226 175.396 176.600 0.036 0.000 0.955 81 K CA -0.639 55.666 56.287 0.030 0.000 0.855 81 K CB 1.330 33.844 32.500 0.024 0.000 1.101 81 K HN 0.484 nan 8.250 nan 0.000 0.434 82 L N 2.582 123.821 121.223 0.027 0.000 2.380 82 L HA 0.135 4.476 4.340 0.000 0.000 0.273 82 L C -0.384 176.463 176.870 -0.039 0.000 1.138 82 L CA -0.885 53.956 54.840 0.002 0.000 0.832 82 L CB 0.561 42.614 42.059 -0.009 0.000 1.124 82 L HN 0.525 nan 8.230 nan 0.000 0.454 83 L N 3.042 124.226 121.223 -0.066 0.000 2.349 83 L HA 0.188 4.528 4.340 0.000 0.000 0.275 83 L C 0.645 177.405 176.870 -0.183 0.000 1.115 83 L CA 0.447 55.227 54.840 -0.102 0.000 0.820 83 L CB 1.362 43.358 42.059 -0.104 0.000 1.135 83 L HN 0.741 nan 8.230 nan 0.000 0.445 84 S N 2.310 117.915 115.700 -0.159 0.000 2.587 84 S HA 0.123 4.593 4.470 0.000 0.000 0.260 84 S C 1.426 175.879 174.600 -0.245 0.000 1.353 84 S CA -0.367 57.720 58.200 -0.188 0.000 0.995 84 S CB 0.555 63.680 63.200 -0.126 0.000 0.912 84 S HN 0.357 nan 8.310 nan 0.000 0.568 85 V N 1.639 121.383 119.914 -0.283 0.000 2.252 85 V HA -0.186 3.934 4.120 0.000 0.000 0.249 85 V C 2.714 178.680 176.094 -0.214 0.000 1.056 85 V CA 2.476 64.590 62.300 -0.311 0.000 1.022 85 V CB -1.575 30.022 31.823 -0.377 0.000 0.641 85 V HN 0.884 nan 8.190 nan 0.000 0.445 86 E N 0.221 120.325 120.200 -0.160 0.000 2.097 86 E HA -0.235 4.116 4.350 0.000 0.000 0.196 86 E C 2.210 178.728 176.600 -0.136 0.000 1.000 86 E CA 1.666 57.990 56.400 -0.127 0.000 0.804 86 E CB -0.326 29.319 29.700 -0.092 0.000 0.740 86 E HN 0.692 nan 8.360 nan 0.000 0.454 87 E N -0.175 119.937 120.200 -0.145 0.000 2.110 87 E HA -0.155 4.195 4.350 0.000 0.000 0.193 87 E C 2.004 178.475 176.600 -0.215 0.000 0.988 87 E CA 0.934 57.238 56.400 -0.159 0.000 0.804 87 E CB -0.139 29.477 29.700 -0.140 0.000 0.745 87 E HN 0.296 nan 8.360 nan 0.000 0.458 88 A N 0.496 123.186 122.820 -0.217 0.000 1.930 88 A HA -0.174 4.146 4.320 0.000 0.000 0.217 88 A C 2.359 179.823 177.584 -0.200 0.000 1.175 88 A CA 1.012 52.912 52.037 -0.228 0.000 0.627 88 A CB -0.699 18.184 19.000 -0.195 0.000 0.815 88 A HN 0.357 nan 8.150 nan 0.000 0.443 89 C N -0.045 119.152 119.300 -0.171 0.000 2.429 89 C HA -0.051 4.409 4.460 0.000 0.000 0.277 89 C C 2.561 177.461 174.990 -0.150 0.000 1.262 89 C CA 1.180 60.113 59.018 -0.142 0.000 1.733 89 C CB -0.671 26.993 27.740 -0.127 0.000 2.010 89 C HN 0.516 nan 8.230 nan 0.000 0.483 90 K N 1.133 121.439 120.400 -0.156 0.000 2.283 90 K HA 0.060 4.380 4.320 0.000 0.000 0.202 90 K C 1.507 178.002 176.600 -0.175 0.000 1.048 90 K CA 0.859 57.061 56.287 -0.142 0.000 0.948 90 K CB -0.583 31.846 32.500 -0.117 0.000 0.742 90 K HN 0.522 nan 8.250 nan 0.000 0.458 91 L N 1.340 122.405 121.223 -0.263 0.000 2.599 91 L HA 0.007 4.347 4.340 0.000 0.000 0.230 91 L C 0.218 176.929 176.870 -0.266 0.000 1.141 91 L CA 0.233 54.850 54.840 -0.371 0.000 0.877 91 L CB -0.267 41.450 42.059 -0.570 0.000 1.009 91 L HN -0.059 nan 8.230 nan 0.000 0.447 92 T N 1.509 115.944 114.554 -0.198 0.000 2.743 92 T HA 0.251 4.601 4.350 0.000 0.000 0.293 92 T C -2.326 172.230 174.700 -0.240 0.000 0.945 92 T CA -1.265 60.733 62.100 -0.171 0.000 1.030 92 T CB 1.176 69.968 68.868 -0.127 0.000 0.912 92 T HN -0.149 nan 8.240 nan 0.000 0.483 93 P HA 0.129 nan 4.420 nan 0.000 0.265 93 P C -1.897 175.129 177.300 -0.456 0.000 1.193 93 P CA -1.318 61.530 63.100 -0.420 0.000 0.765 93 P CB 0.153 31.747 31.700 -0.177 0.000 0.823 94 P HA -0.179 nan 4.420 nan 0.000 0.218 94 P C 0.600 177.583 177.300 -0.529 0.000 1.146 94 P CA 1.720 64.452 63.100 -0.614 0.000 0.813 94 P CB -0.123 31.098 31.700 -0.799 0.000 0.778 95 H N -2.626 116.333 119.070 -0.184 0.000 2.528 95 H HA 0.262 4.818 4.556 0.000 0.000 0.282 95 H C 0.404 175.668 175.328 -0.107 0.000 1.097 95 H CA -0.335 55.642 56.048 -0.119 0.000 1.121 95 H CB -0.016 29.688 29.762 -0.095 0.000 1.590 95 H HN 0.032 nan 8.280 nan 0.000 0.553 96 S N 1.213 116.886 115.700 -0.045 0.000 2.558 96 S HA 0.293 4.763 4.470 0.000 0.000 0.288 96 S C 0.715 175.295 174.600 -0.034 0.000 1.318 96 S CA -0.444 57.723 58.200 -0.055 0.000 1.056 96 S CB 0.292 63.450 63.200 -0.072 0.000 0.853 96 S HN 0.502 nan 8.310 nan 0.000 0.505 97 A N 5.187 127.977 122.820 -0.049 0.000 2.567 97 A HA 0.200 4.520 4.320 0.000 0.000 0.240 97 A C 0.703 178.283 177.584 -0.007 0.000 1.053 97 A CA -0.068 51.958 52.037 -0.019 0.000 0.755 97 A CB -0.118 18.879 19.000 -0.005 0.000 0.978 97 A HN 0.890 nan 8.150 nan 0.000 0.507 98 K N 2.288 122.674 120.400 -0.022 0.000 2.276 98 K HA 0.239 4.559 4.320 0.000 0.000 0.259 98 K C 0.299 176.818 176.600 -0.135 0.000 1.001 98 K CA 0.074 56.317 56.287 -0.074 0.000 0.927 98 K CB 0.378 32.835 32.500 -0.071 0.000 0.969 98 K HN 0.449 nan 8.250 nan 0.000 0.490 99 S N 0.264 115.772 115.700 -0.320 0.000 2.585 99 S HA 0.063 4.533 4.470 0.000 0.000 0.273 99 S C 0.592 174.987 174.600 -0.341 0.000 1.339 99 S CA -0.526 57.426 58.200 -0.413 0.000 1.028 99 S CB 0.556 63.112 63.200 -1.073 0.000 0.906 99 S HN 0.644 nan 8.310 nan 0.000 0.528 100 K N 2.326 122.514 120.400 -0.354 0.000 2.486 100 K HA 0.049 4.369 4.320 0.000 0.000 0.194 100 K C -0.155 176.039 176.600 -0.678 0.000 1.033 100 K CA 0.808 56.783 56.287 -0.519 0.000 1.004 100 K CB -0.015 32.091 32.500 -0.657 0.000 0.798 100 K HN 0.560 nan 8.250 nan 0.000 0.495 101 F N 0.211 119.980 119.950 -0.302 0.000 2.837 101 F HA 0.278 4.805 4.527 0.000 0.000 0.298 101 F C 1.121 176.788 175.800 -0.222 0.000 1.161 101 F CA -0.406 57.419 58.000 -0.292 0.000 1.353 101 F CB 0.980 39.675 39.000 -0.509 0.000 0.951 101 F HN 0.112 nan 8.300 nan 0.000 0.508 102 G N -0.009 108.730 108.800 -0.101 0.000 2.179 102 G HA2 -0.259 3.701 3.960 0.000 0.000 0.220 102 G HA3 -0.259 3.701 3.960 0.000 0.000 0.220 102 G C -0.240 174.717 174.900 0.096 0.000 0.990 102 G CA -0.002 45.108 45.100 0.016 0.000 0.646 102 G HN 0.481 nan 8.290 nan 0.000 0.517 103 Y N -1.428 118.859 120.300 -0.020 0.000 2.615 103 Y HA 0.821 5.371 4.550 0.000 0.000 0.341 103 Y C 0.429 176.327 175.900 -0.005 0.000 1.089 103 Y CA -1.122 56.971 58.100 -0.010 0.000 1.049 103 Y CB 0.838 39.295 38.460 -0.005 0.000 1.296 103 Y HN 0.576 nan 8.280 nan 0.000 0.470 104 G N -0.286 108.608 108.800 0.156 0.000 2.932 104 G HA2 0.523 4.483 3.960 0.000 0.000 0.283 104 G HA3 0.523 4.483 3.960 0.000 0.000 0.283 104 G C 0.186 175.154 174.900 0.113 0.000 1.336 104 G CA -0.796 44.342 45.100 0.063 0.000 1.056 104 G HN 1.140 nan 8.290 nan 0.000 0.522 105 A N -0.494 122.345 122.820 0.032 0.000 1.972 105 A HA 0.008 4.328 4.320 0.000 0.000 0.219 105 A C 2.165 179.719 177.584 -0.049 0.000 1.169 105 A CA 1.867 53.897 52.037 -0.012 0.000 0.635 105 A CB -0.337 18.622 19.000 -0.069 0.000 0.810 105 A HN 0.587 nan 8.150 nan 0.000 0.446 106 K N -0.254 120.118 120.400 -0.047 0.000 2.097 106 K HA -0.111 4.209 4.320 0.000 0.000 0.205 106 K C 1.408 177.988 176.600 -0.033 0.000 1.050 106 K CA 1.332 57.579 56.287 -0.066 0.000 0.938 106 K CB -0.160 32.307 32.500 -0.055 0.000 0.718 106 K HN 0.425 nan 8.250 nan 0.000 0.442 107 D N 0.464 120.873 120.400 0.016 0.000 2.144 107 D HA -0.138 4.502 4.640 0.000 0.000 0.199 107 D C 1.956 178.247 176.300 -0.015 0.000 0.984 107 D CA 1.021 55.035 54.000 0.023 0.000 0.834 107 D CB -0.128 40.731 40.800 0.099 0.000 0.955 107 D HN -0.042 nan 8.370 nan 0.000 0.465 108 V N 1.199 121.122 119.914 0.014 0.000 2.307 108 V HA -0.214 3.906 4.120 0.000 0.000 0.245 108 V C 2.464 178.515 176.094 -0.071 0.000 1.045 108 V CA 1.568 63.850 62.300 -0.029 0.000 1.024 108 V CB -0.345 31.497 31.823 0.031 0.000 0.651 108 V HN 0.112 nan 8.190 nan 0.000 0.449 109 R N 0.163 120.614 120.500 -0.081 0.000 2.148 109 R HA -0.067 4.273 4.340 0.000 0.000 0.227 109 R C 1.950 178.199 176.300 -0.084 0.000 1.103 109 R CA 1.136 57.175 56.100 -0.102 0.000 0.983 109 R CB -0.300 29.917 30.300 -0.138 0.000 0.874 109 R HN 0.489 nan 8.270 nan 0.000 0.451 110 N N 0.581 119.238 118.700 -0.071 0.000 2.446 110 N HA 0.030 4.770 4.740 0.000 0.000 0.179 110 N C 0.291 175.767 175.510 -0.058 0.000 1.054 110 N CA 0.494 53.509 53.050 -0.058 0.000 0.905 110 N CB 0.247 38.706 38.487 -0.046 0.000 0.973 110 N HN 0.090 nan 8.380 nan 0.000 0.448 111 L N 0.660 121.841 121.223 -0.070 0.000 3.730 111 L HA -0.199 4.141 4.340 0.000 0.000 0.410 111 L C -0.046 176.782 176.870 -0.071 0.000 1.234 111 L CA -0.115 54.679 54.840 -0.076 0.000 0.911 111 L CB -2.519 39.501 42.059 -0.066 0.000 1.942 111 L HN 0.117 nan 8.230 nan 0.000 0.860 112 S N -0.913 114.742 115.700 -0.074 0.000 2.546 112 S HA 0.189 4.659 4.470 0.000 0.000 0.290 112 S C 1.552 176.103 174.600 -0.081 0.000 1.290 112 S CA 0.057 58.218 58.200 -0.065 0.000 1.069 112 S CB 1.642 64.811 63.200 -0.053 0.000 0.846 112 S HN 0.608 nan 8.310 nan 0.000 0.495 113 S N 3.240 118.908 115.700 -0.053 0.000 2.402 113 S HA -0.236 4.234 4.470 0.000 0.000 0.233 113 S C 1.666 176.234 174.600 -0.055 0.000 1.030 113 S CA 1.283 59.458 58.200 -0.042 0.000 1.003 113 S CB -0.538 62.647 63.200 -0.024 0.000 0.813 113 S HN 0.836 nan 8.310 nan 0.000 0.477 114 K N 1.323 121.684 120.400 -0.064 0.000 2.025 114 K HA 0.020 4.340 4.320 0.000 0.000 0.207 114 K C 2.438 178.908 176.600 -0.218 0.000 1.049 114 K CA 1.177 57.424 56.287 -0.067 0.000 0.933 114 K CB -0.637 31.854 32.500 -0.014 0.000 0.714 114 K HN 0.482 nan 8.250 nan 0.000 0.438 115 A N 0.570 123.141 122.820 -0.415 0.000 1.933 115 A HA -0.097 4.224 4.320 0.000 0.000 0.218 115 A C 2.184 179.471 177.584 -0.495 0.000 1.175 115 A CA 1.477 52.947 52.037 -0.944 0.000 0.628 115 A CB -0.438 18.128 19.000 -0.723 0.000 0.814 115 A HN 0.174 nan 8.150 nan 0.000 0.444 116 V N 0.547 120.321 119.914 -0.234 0.000 2.453 116 V HA -0.235 3.885 4.120 0.000 0.000 0.247 116 V C 2.087 178.200 176.094 0.031 0.000 1.048 116 V CA 2.017 64.253 62.300 -0.106 0.000 1.049 116 V CB -1.149 30.649 31.823 -0.042 0.000 0.672 116 V HN 0.626 nan 8.190 nan 0.000 0.457 117 N N -0.711 118.007 118.700 0.030 0.000 2.120 117 N HA -0.225 4.515 4.740 0.000 0.000 0.188 117 N C 1.994 177.560 175.510 0.094 0.000 1.024 117 N CA 1.316 54.416 53.050 0.083 0.000 0.852 117 N CB -0.251 38.262 38.487 0.043 0.000 1.003 117 N HN 0.569 nan 8.380 nan 0.000 0.424 118 H N 1.261 120.302 119.070 -0.048 0.000 2.321 118 H HA -0.047 4.510 4.556 0.000 0.000 0.300 118 H C 2.130 177.456 175.328 -0.002 0.000 1.087 118 H CA 1.300 57.341 56.048 -0.012 0.000 1.319 118 H CB 0.004 29.811 29.762 0.074 0.000 1.379 118 H HN 0.173 nan 8.280 nan 0.000 0.501 119 I N 0.196 120.740 120.570 -0.043 0.000 2.208 119 I HA -0.309 3.861 4.170 0.000 0.000 0.245 119 I C 2.288 178.329 176.117 -0.126 0.000 1.097 119 I CA 1.523 62.760 61.300 -0.106 0.000 1.363 119 I CB -0.401 37.506 38.000 -0.154 0.000 1.051 119 I HN 0.329 nan 8.210 nan 0.000 0.413 120 H N -0.243 118.800 119.070 -0.045 0.000 2.421 120 H HA -0.142 4.414 4.556 0.000 0.000 0.298 120 H C 2.522 177.863 175.328 0.023 0.000 1.087 120 H CA 1.733 57.784 56.048 0.005 0.000 1.330 120 H CB 0.022 29.773 29.762 -0.018 0.000 1.388 120 H HN 0.375 nan 8.280 nan 0.000 0.526 121 S N -0.197 115.525 115.700 0.037 0.000 2.406 121 S HA -0.091 4.379 4.470 0.000 0.000 0.228 121 S C 2.176 176.701 174.600 -0.124 0.000 1.020 121 S CA 0.996 59.164 58.200 -0.052 0.000 0.965 121 S CB -0.504 62.631 63.200 -0.110 0.000 0.798 121 S HN 0.159 nan 8.310 nan 0.000 0.488 122 V N 0.681 120.473 119.914 -0.204 0.000 2.453 122 V HA -0.057 4.063 4.120 0.000 0.000 0.247 122 V C 2.204 178.287 176.094 -0.018 0.000 1.048 122 V CA 1.543 63.739 62.300 -0.173 0.000 1.049 122 V CB -0.986 30.712 31.823 -0.208 0.000 0.672 122 V HN 0.720 nan 8.190 nan 0.000 0.457 123 W N 1.421 122.647 121.300 -0.124 0.000 2.381 123 W HA -0.176 4.484 4.660 0.000 0.000 0.301 123 W C 2.420 178.907 176.519 -0.053 0.000 1.205 123 W CA 2.021 59.318 57.345 -0.080 0.000 1.285 123 W CB -0.052 29.363 29.460 -0.076 0.000 1.133 123 W HN 0.224 nan 8.180 nan 0.000 0.521 124 K N 0.673 121.100 120.400 0.045 0.000 2.057 124 K HA -0.271 4.049 4.320 0.000 0.000 0.207 124 K C 1.744 178.267 176.600 -0.128 0.000 1.049 124 K CA 2.266 58.524 56.287 -0.049 0.000 0.931 124 K CB -0.611 31.909 32.500 0.033 0.000 0.714 124 K HN 0.015 nan 8.250 nan 0.000 0.440 125 D N 0.163 120.497 120.400 -0.112 0.000 2.182 125 D HA -0.156 4.484 4.640 0.000 0.000 0.201 125 D C 1.870 178.072 176.300 -0.164 0.000 0.986 125 D CA 0.961 54.888 54.000 -0.121 0.000 0.847 125 D CB 0.085 40.818 40.800 -0.112 0.000 0.942 125 D HN 0.214 nan 8.370 nan 0.000 0.467 126 L N -0.154 120.928 121.223 -0.235 0.000 2.093 126 L HA -0.113 4.227 4.340 0.000 0.000 0.208 126 L C 2.400 179.065 176.870 -0.341 0.000 1.085 126 L CA 0.604 55.259 54.840 -0.309 0.000 0.755 126 L CB -0.328 41.476 42.059 -0.426 0.000 0.904 126 L HN 0.226 nan 8.230 nan 0.000 0.435 127 L N -0.709 120.279 121.223 -0.392 0.000 2.156 127 L HA -0.148 4.193 4.340 0.000 0.000 0.208 127 L C 2.239 179.003 176.870 -0.177 0.000 1.095 127 L CA 1.101 55.757 54.840 -0.306 0.000 0.770 127 L CB -0.281 41.600 42.059 -0.298 0.000 0.914 127 L HN 0.278 nan 8.230 nan 0.000 0.439 128 E N -1.135 118.977 120.200 -0.147 0.000 2.250 128 E HA -0.052 4.298 4.350 0.000 0.000 0.192 128 E C 0.258 176.806 176.600 -0.086 0.000 0.986 128 E CA 0.252 56.594 56.400 -0.096 0.000 0.849 128 E CB 0.385 30.039 29.700 -0.077 0.000 0.797 128 E HN 0.146 nan 8.360 nan 0.000 0.482 129 D N 0.171 120.511 120.400 -0.100 0.000 2.481 129 D HA 0.070 4.710 4.640 0.000 0.000 0.246 129 D C -0.448 175.798 176.300 -0.089 0.000 1.109 129 D CA -0.307 53.644 54.000 -0.081 0.000 0.845 129 D CB 1.439 42.196 40.800 -0.072 0.000 1.160 129 D HN -0.019 nan 8.370 nan 0.000 0.534 130 T N 0.637 115.148 114.554 -0.071 0.000 3.331 130 T HA 0.263 4.613 4.350 0.000 0.000 0.282 130 T C 0.958 175.630 174.700 -0.047 0.000 1.010 130 T CA 0.086 62.145 62.100 -0.068 0.000 0.928 130 T CB -0.387 68.443 68.868 -0.063 0.000 1.154 130 T HN 0.196 nan 8.240 nan 0.000 0.516 131 V N -3.590 116.300 119.914 -0.040 0.000 3.408 131 V HA 0.415 4.535 4.120 0.000 0.000 0.263 131 V C 0.375 176.460 176.094 -0.016 0.000 1.503 131 V CA -0.112 62.173 62.300 -0.025 0.000 1.046 131 V CB 0.041 31.852 31.823 -0.020 0.000 0.851 131 V HN 0.307 nan 8.190 nan 0.000 0.435 132 T N 4.692 119.233 114.554 -0.023 0.000 2.739 132 T HA 0.441 4.791 4.350 0.000 0.000 0.298 132 T C -2.598 172.099 174.700 -0.005 0.000 0.929 132 T CA -0.741 61.354 62.100 -0.009 0.000 1.014 132 T CB 0.882 69.742 68.868 -0.013 0.000 0.914 132 T HN 0.320 nan 8.240 nan 0.000 0.509 133 P HA 0.105 nan 4.420 nan 0.000 0.264 133 P C -0.253 177.049 177.300 0.004 0.000 1.183 133 P CA -0.012 63.101 63.100 0.022 0.000 0.763 133 P CB 0.309 32.063 31.700 0.091 0.000 0.807 134 I N 2.417 122.973 120.570 -0.022 0.000 2.396 134 I HA 0.146 4.316 4.170 0.000 0.000 0.292 134 I C 0.978 177.085 176.117 -0.017 0.000 0.999 134 I CA -0.521 60.771 61.300 -0.013 0.000 1.310 134 I CB 0.634 38.617 38.000 -0.028 0.000 1.404 134 I HN 0.298 nan 8.210 nan 0.000 0.496 135 D N 4.487 124.892 120.400 0.008 0.000 2.423 135 D HA 0.141 4.781 4.640 0.000 0.000 0.238 135 D C -0.299 175.975 176.300 -0.043 0.000 1.142 135 D CA 0.281 54.274 54.000 -0.013 0.000 0.884 135 D CB 0.814 41.621 40.800 0.013 0.000 1.199 135 D HN 0.639 nan 8.370 nan 0.000 0.438 136 T N -0.646 113.852 114.554 -0.093 0.000 2.906 136 T HA 0.617 4.967 4.350 0.000 0.000 0.295 136 T C -0.311 174.238 174.700 -0.251 0.000 1.075 136 T CA -0.963 61.041 62.100 -0.160 0.000 1.005 136 T CB 1.484 70.277 68.868 -0.126 0.000 1.136 136 T HN 0.217 nan 8.240 nan 0.000 0.498 137 T N 2.076 116.316 114.554 -0.523 0.000 2.829 137 T HA 0.584 4.934 4.350 0.000 0.000 0.282 137 T C -0.416 173.967 174.700 -0.530 0.000 0.990 137 T CA -0.586 61.156 62.100 -0.596 0.000 1.028 137 T CB 0.764 69.102 68.868 -0.883 0.000 0.951 137 T HN 0.694 nan 8.240 nan 0.000 0.460 138 I N 4.227 124.683 120.570 -0.191 0.000 2.362 138 I HA 0.460 4.630 4.170 0.000 0.000 0.289 138 I C -0.805 175.350 176.117 0.064 0.000 0.994 138 I CA -0.736 60.558 61.300 -0.010 0.000 1.158 138 I CB 0.584 38.634 38.000 0.083 0.000 1.315 138 I HN 0.400 nan 8.210 nan 0.000 0.451 139 M N 6.186 125.891 119.600 0.174 0.000 2.644 139 M HA 0.546 5.026 4.480 0.000 0.000 0.304 139 M C -0.465 175.911 176.300 0.126 0.000 1.215 139 M CA -0.663 54.741 55.300 0.173 0.000 0.871 139 M CB 1.861 34.626 32.600 0.275 0.000 1.740 139 M HN 0.553 nan 8.290 nan 0.000 0.464 140 A N 2.172 125.042 122.820 0.082 0.000 2.301 140 A HA 0.514 4.834 4.320 0.000 0.000 0.298 140 A C -0.093 177.530 177.584 0.065 0.000 1.185 140 A CA -0.630 51.444 52.037 0.062 0.000 0.830 140 A CB 0.458 19.479 19.000 0.035 0.000 1.112 140 A HN 0.680 nan 8.150 nan 0.000 0.508 141 K N 2.511 122.951 120.400 0.067 0.000 2.322 141 K HA 0.112 4.432 4.320 0.000 0.000 0.283 141 K C -0.746 175.870 176.600 0.027 0.000 1.042 141 K CA -0.310 56.006 56.287 0.048 0.000 0.958 141 K CB 0.586 33.123 32.500 0.062 0.000 0.984 141 K HN 0.583 nan 8.250 nan 0.000 0.473 142 N N 3.700 122.390 118.700 -0.016 0.000 2.868 142 N HA 0.089 4.829 4.740 0.000 0.000 0.252 142 N C -0.516 174.890 175.510 -0.172 0.000 1.130 142 N CA 0.078 53.086 53.050 -0.070 0.000 1.026 142 N CB 0.595 39.042 38.487 -0.067 0.000 1.335 142 N HN 0.441 nan 8.380 nan 0.000 0.516 143 E N 0.043 120.147 120.200 -0.161 0.000 2.221 143 E HA 0.452 4.802 4.350 0.000 0.000 0.268 143 E C -0.475 175.812 176.600 -0.522 0.000 0.933 143 E CA -0.919 55.292 56.400 -0.314 0.000 0.809 143 E CB 2.358 31.954 29.700 -0.174 0.000 1.190 143 E HN 0.011 nan 8.360 nan 0.000 0.406 144 V N 3.159 122.599 119.914 -0.790 0.000 2.427 144 V HA 0.440 4.560 4.120 0.000 0.000 0.286 144 V C -0.764 174.723 176.094 -1.012 0.000 1.034 144 V CA -0.281 61.532 62.300 -0.811 0.000 0.893 144 V CB 0.235 31.648 31.823 -0.683 0.000 0.982 144 V HN 0.497 nan 8.190 nan 0.000 0.452 145 F N 2.203 121.775 119.950 -0.629 0.000 2.626 145 F HA 0.547 5.074 4.527 0.000 0.000 0.311 145 F C 0.096 175.683 175.800 -0.355 0.000 1.088 145 F CA -0.661 57.039 58.000 -0.500 0.000 0.949 145 F CB 1.386 40.086 39.000 -0.500 0.000 1.322 145 F HN 0.536 nan 8.300 nan 0.000 0.461 146 C N 3.163 122.562 119.300 0.164 0.000 2.401 146 C HA 0.754 5.214 4.460 0.000 0.000 0.365 146 C C 0.211 175.422 174.990 0.369 0.000 1.250 146 C CA -0.686 58.471 59.018 0.230 0.000 2.131 146 C CB -0.219 27.613 27.740 0.152 0.000 2.445 146 C HN 0.701 nan 8.230 nan 0.000 0.550 147 V N 5.531 125.681 119.914 0.393 0.000 2.872 147 V HA 0.334 4.454 4.120 0.000 0.000 0.307 147 V C -0.157 176.031 176.094 0.156 0.000 1.072 147 V CA 0.227 62.694 62.300 0.278 0.000 1.148 147 V CB 0.109 32.018 31.823 0.144 0.000 0.954 147 V HN 0.994 nan 8.190 nan 0.000 0.490 155 K N 2.445 122.836 120.400 -0.016 0.000 2.234 155 K HA 0.351 4.671 4.320 0.000 0.000 0.282 155 K C -2.300 174.309 176.600 0.015 0.000 1.039 155 K CA -1.741 54.510 56.287 -0.060 0.000 0.928 155 K CB 0.754 33.106 32.500 -0.248 0.000 1.039 155 K HN 0.188 nan 8.250 nan 0.000 0.470 156 P HA -0.043 nan 4.420 nan 0.000 0.270 156 P C -0.865 176.467 177.300 0.053 0.000 1.223 156 P CA -0.287 62.825 63.100 0.020 0.000 0.785 156 P CB 0.513 32.211 31.700 -0.003 0.000 0.923 157 A N 2.924 125.784 122.820 0.067 0.000 2.540 157 A HA 0.020 4.340 4.320 0.000 0.000 0.239 157 A C 0.607 178.233 177.584 0.071 0.000 1.061 157 A CA 0.180 52.268 52.037 0.085 0.000 0.758 157 A CB -0.431 18.608 19.000 0.065 0.000 0.991 157 A HN 0.475 nan 8.150 nan 0.000 0.502 158 R N 0.484 121.044 120.500 0.100 0.000 2.694 158 R HA 0.293 4.633 4.340 0.000 0.000 0.268 158 R C -0.797 175.556 176.300 0.089 0.000 1.061 158 R CA -0.304 55.856 56.100 0.100 0.000 1.133 158 R CB 0.199 30.576 30.300 0.128 0.000 1.020 158 R HN 0.534 nan 8.270 nan 0.000 0.475 159 L N 3.351 124.632 121.223 0.096 0.000 2.307 159 L HA 0.417 4.757 4.340 0.000 0.000 0.284 159 L C -0.523 176.439 176.870 0.153 0.000 1.023 159 L CA -0.413 54.489 54.840 0.103 0.000 0.810 159 L CB 1.398 43.499 42.059 0.069 0.000 1.231 159 L HN 0.485 nan 8.230 nan 0.000 0.423 160 I N 4.049 124.731 120.570 0.185 0.000 2.389 160 I HA 0.563 4.733 4.170 0.000 0.000 0.288 160 I C -0.942 175.390 176.117 0.359 0.000 0.999 160 I CA -0.260 61.192 61.300 0.253 0.000 1.129 160 I CB 1.544 39.670 38.000 0.209 0.000 1.288 160 I HN 0.230 nan 8.210 nan 0.000 0.444 161 V N 8.964 129.076 119.914 0.331 0.000 2.448 161 V HA 0.607 4.727 4.120 0.000 0.000 0.295 161 V C -0.783 175.501 176.094 0.316 0.000 1.025 161 V CA -0.483 61.958 62.300 0.235 0.000 0.859 161 V CB 1.120 33.044 31.823 0.168 0.000 0.988 161 V HN 0.596 nan 8.190 nan 0.000 0.431 162 F N 4.744 124.740 119.950 0.077 0.000 2.628 162 F HA 0.870 5.397 4.527 0.000 0.000 0.309 162 F C -3.108 172.732 175.800 0.067 0.000 1.108 162 F CA -2.814 55.232 58.000 0.076 0.000 0.971 162 F CB 1.612 40.653 39.000 0.068 0.000 1.279 162 F HN 0.286 nan 8.300 nan 0.000 0.441 163 P HA 0.159 nan 4.420 nan 0.000 0.278 163 P C -0.782 176.631 177.300 0.188 0.000 1.258 163 P CA -0.125 63.041 63.100 0.109 0.000 0.811 163 P CB 1.259 33.028 31.700 0.116 0.000 1.063 164 D N -0.069 120.424 120.400 0.156 0.000 2.474 164 D HA -0.125 4.515 4.640 0.000 0.000 0.232 164 D C 1.415 177.837 176.300 0.203 0.000 1.177 164 D CA -0.142 53.974 54.000 0.193 0.000 0.876 164 D CB 0.359 41.322 40.800 0.273 0.000 1.208 164 D HN 0.173 nan 8.370 nan 0.000 0.464 165 L N 3.598 124.921 121.223 0.167 0.000 2.013 165 L HA -0.043 4.298 4.340 0.000 0.000 0.212 165 L C 2.070 179.073 176.870 0.222 0.000 1.073 165 L CA 2.671 57.603 54.840 0.153 0.000 0.753 165 L CB -1.160 40.945 42.059 0.077 0.000 0.890 165 L HN 0.649 nan 8.230 nan 0.000 0.432 166 G N -0.967 108.027 108.800 0.325 0.000 2.442 166 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 166 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 166 G C 1.516 176.533 174.900 0.194 0.000 1.141 166 G CA 1.179 46.505 45.100 0.377 0.000 0.763 166 G HN 0.386 nan 8.290 nan 0.000 0.554 167 V N 0.792 120.810 119.914 0.174 0.000 2.358 167 V HA -0.167 3.953 4.120 0.000 0.000 0.246 167 V C 2.939 179.112 176.094 0.131 0.000 1.047 167 V CA 1.985 64.360 62.300 0.124 0.000 1.035 167 V CB -0.451 31.437 31.823 0.109 0.000 0.658 167 V HN 0.353 nan 8.190 nan 0.000 0.452 168 R N -0.222 120.364 120.500 0.143 0.000 2.096 168 R HA -0.113 4.227 4.340 0.000 0.000 0.235 168 R C 2.223 178.580 176.300 0.096 0.000 1.127 168 R CA 1.431 57.608 56.100 0.129 0.000 0.968 168 R CB -0.708 29.664 30.300 0.121 0.000 0.861 168 R HN 0.430 nan 8.270 nan 0.000 0.440 169 V N 0.716 120.678 119.914 0.079 0.000 2.343 169 V HA -0.300 3.820 4.120 0.000 0.000 0.247 169 V C 2.524 178.632 176.094 0.022 0.000 1.051 169 V CA 1.626 63.939 62.300 0.021 0.000 1.036 169 V CB -0.532 31.296 31.823 0.009 0.000 0.654 169 V HN 0.441 nan 8.190 nan 0.000 0.451 170 C N -0.195 119.159 119.300 0.091 0.000 2.435 170 C HA -0.113 4.347 4.460 0.000 0.000 0.279 170 C C 2.657 177.793 174.990 0.244 0.000 1.321 170 C CA 0.686 59.824 59.018 0.201 0.000 1.752 170 C CB -1.006 26.911 27.740 0.294 0.000 1.959 170 C HN 0.618 nan 8.230 nan 0.000 0.500 171 E N 0.955 121.264 120.200 0.182 0.000 2.085 171 E HA -0.212 4.138 4.350 0.000 0.000 0.194 171 E C 2.167 178.873 176.600 0.177 0.000 0.994 171 E CA 1.133 57.654 56.400 0.201 0.000 0.801 171 E CB -0.142 29.689 29.700 0.218 0.000 0.743 171 E HN 0.639 nan 8.360 nan 0.000 0.453 172 K N 0.479 120.952 120.400 0.123 0.000 1.991 172 K HA -0.146 4.174 4.320 0.000 0.000 0.212 172 K C 2.268 178.905 176.600 0.061 0.000 1.049 172 K CA 1.453 57.796 56.287 0.094 0.000 0.932 172 K CB -0.224 32.258 32.500 -0.031 0.000 0.717 172 K HN 0.091 nan 8.250 nan 0.000 0.441 173 M N 0.404 119.985 119.600 -0.032 0.000 2.113 173 M HA -0.284 4.196 4.480 0.000 0.000 0.255 173 M C 2.384 178.693 176.300 0.016 0.000 1.073 173 M CA 2.143 57.360 55.300 -0.139 0.000 1.091 173 M CB -0.389 31.934 32.600 -0.461 0.000 1.309 173 M HN 0.303 nan 8.290 nan 0.000 0.407 174 A N -1.014 121.928 122.820 0.203 0.000 1.930 174 A HA 0.052 4.372 4.320 0.000 0.000 0.215 174 A C 1.734 179.404 177.584 0.145 0.000 1.176 174 A CA 1.120 53.327 52.037 0.282 0.000 0.632 174 A CB -0.126 19.093 19.000 0.364 0.000 0.819 174 A HN 0.519 nan 8.150 nan 0.000 0.445 175 L N -2.910 118.385 121.223 0.119 0.000 3.217 175 L HA 0.220 4.560 4.340 0.000 0.000 0.288 175 L C 1.590 178.482 176.870 0.038 0.000 1.202 175 L CA -0.046 54.807 54.840 0.023 0.000 1.027 175 L CB 0.207 42.243 42.059 -0.039 0.000 1.427 175 L HN 0.446 nan 8.230 nan 0.000 0.600 176 Y N 1.233 121.536 120.300 0.005 0.000 2.181 176 Y HA -0.283 4.267 4.550 0.000 0.000 0.288 176 Y C 2.165 178.088 175.900 0.037 0.000 1.146 176 Y CA 2.224 60.345 58.100 0.036 0.000 1.164 176 Y CB 0.261 38.731 38.460 0.018 0.000 0.982 176 Y HN 0.245 nan 8.280 nan 0.000 0.515 177 D N -0.879 119.574 120.400 0.088 0.000 2.123 177 D HA -0.156 4.484 4.640 0.000 0.000 0.200 177 D C 2.231 178.482 176.300 -0.083 0.000 0.976 177 D CA 1.341 55.346 54.000 0.009 0.000 0.831 177 D CB -0.236 40.601 40.800 0.062 0.000 0.974 177 D HN 0.219 nan 8.370 nan 0.000 0.469 178 V N 0.661 120.522 119.914 -0.089 0.000 2.231 178 V HA -0.273 3.848 4.120 0.000 0.000 0.248 178 V C 2.747 178.720 176.094 -0.201 0.000 1.054 178 V CA 2.069 64.284 62.300 -0.141 0.000 1.015 178 V CB -0.836 30.866 31.823 -0.201 0.000 0.638 178 V HN 0.358 nan 8.190 nan 0.000 0.444 179 V N -2.302 117.464 119.914 -0.247 0.000 2.759 179 V HA -0.145 3.975 4.120 0.000 0.000 0.256 179 V C 2.095 177.999 176.094 -0.318 0.000 1.080 179 V CA 2.262 64.397 62.300 -0.275 0.000 1.101 179 V CB -0.609 31.062 31.823 -0.252 0.000 0.698 179 V HN 0.474 nan 8.190 nan 0.000 0.477 180 S N 0.169 115.684 115.700 -0.307 0.000 2.470 180 S HA -0.009 4.461 4.470 0.000 0.000 0.225 180 S C 1.844 176.333 174.600 -0.185 0.000 1.006 180 S CA 1.495 59.538 58.200 -0.260 0.000 0.934 180 S CB -0.026 63.004 63.200 -0.283 0.000 0.778 180 S HN 0.798 nan 8.310 nan 0.000 0.517 181 T N 1.279 115.724 114.554 -0.182 0.000 3.026 181 T HA 0.293 4.643 4.350 0.000 0.000 0.245 181 T C 1.635 176.226 174.700 -0.183 0.000 1.004 181 T CA -0.172 61.842 62.100 -0.144 0.000 1.069 181 T CB -0.131 68.684 68.868 -0.088 0.000 1.005 181 T HN 0.176 nan 8.240 nan 0.000 0.472 182 L N 1.964 123.071 121.223 -0.192 0.000 2.027 182 L HA 0.021 4.361 4.340 0.000 0.000 0.206 182 L C -1.012 175.684 176.870 -0.290 0.000 1.074 182 L CA 1.415 56.147 54.840 -0.180 0.000 0.745 182 L CB -0.840 41.160 42.059 -0.098 0.000 0.898 182 L HN 0.117 nan 8.230 nan 0.000 0.433 183 P HA -0.230 nan 4.420 nan 0.000 0.215 183 P C 1.354 178.241 177.300 -0.688 0.000 1.153 183 P CA 1.304 63.985 63.100 -0.697 0.000 0.853 183 P CB -0.171 30.772 31.700 -1.260 0.000 0.788 184 Q N 0.012 119.430 119.800 -0.638 0.000 2.167 184 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 184 Q C 1.909 177.778 176.000 -0.218 0.000 0.970 184 Q CA 1.383 56.994 55.803 -0.320 0.000 0.855 184 Q CB -0.555 28.078 28.738 -0.175 0.000 0.911 184 Q HN 0.086 nan 8.270 nan 0.000 0.438 185 V N 0.039 119.827 119.914 -0.209 0.000 2.307 185 V HA -0.208 3.912 4.120 0.000 0.000 0.245 185 V C 2.488 178.491 176.094 -0.152 0.000 1.045 185 V CA 1.428 63.642 62.300 -0.144 0.000 1.024 185 V CB -0.517 31.238 31.823 -0.114 0.000 0.651 185 V HN 0.129 nan 8.190 nan 0.000 0.449 186 V N -0.682 119.106 119.914 -0.210 0.000 2.379 186 V HA -0.178 3.942 4.120 0.000 0.000 0.245 186 V C 2.090 178.000 176.094 -0.307 0.000 1.044 186 V CA 2.151 64.316 62.300 -0.226 0.000 1.036 186 V CB -0.367 31.304 31.823 -0.254 0.000 0.664 186 V HN 0.468 nan 8.190 nan 0.000 0.453 187 M N -1.481 117.875 119.600 -0.407 0.000 2.414 187 M HA 0.355 4.835 4.480 0.000 0.000 0.251 187 M C 1.434 177.637 176.300 -0.161 0.000 1.116 187 M CA 0.798 55.785 55.300 -0.520 0.000 1.056 187 M CB 0.494 32.670 32.600 -0.706 0.000 1.388 187 M HN 0.473 nan 8.290 nan 0.000 0.487 188 G N 1.699 110.419 108.800 -0.132 0.000 2.583 188 G HA2 -0.372 3.588 3.960 0.000 0.000 0.292 188 G HA3 -0.372 3.588 3.960 0.000 0.000 0.292 188 G C 0.741 175.591 174.900 -0.084 0.000 1.203 188 G CA 0.678 45.736 45.100 -0.070 0.000 0.987 188 G HN 0.512 nan 8.290 nan 0.000 0.554 189 S N -0.243 115.415 115.700 -0.070 0.000 2.547 189 S HA 0.096 4.566 4.470 0.000 0.000 0.235 189 S C 2.127 176.575 174.600 -0.253 0.000 0.980 189 S CA 1.821 59.898 58.200 -0.205 0.000 0.941 189 S CB -0.117 62.969 63.200 -0.189 0.000 0.763 189 S HN 1.231 nan 8.310 nan 0.000 0.532 190 S N 0.126 115.821 115.700 -0.009 0.000 2.489 190 S HA 0.086 4.556 4.470 0.000 0.000 0.228 190 S C 0.279 174.910 174.600 0.052 0.000 0.995 190 S CA -0.117 58.155 58.200 0.120 0.000 0.934 190 S CB -0.487 62.905 63.200 0.320 0.000 0.771 190 S HN 0.676 nan 8.310 nan 0.000 0.522 191 Y N 3.530 123.707 120.300 -0.205 0.000 2.637 191 Y HA 0.449 4.999 4.550 0.000 0.000 0.350 191 Y C 1.312 176.987 175.900 -0.375 0.000 1.069 191 Y CA -1.375 56.565 58.100 -0.267 0.000 1.397 191 Y CB -0.031 38.264 38.460 -0.275 0.000 1.163 191 Y HN 0.076 nan 8.280 nan 0.000 0.527 192 G N 4.469 112.811 108.800 -0.765 0.000 2.443 192 G HA2 -0.254 3.707 3.960 0.000 0.000 0.219 192 G HA3 -0.254 3.707 3.960 0.000 0.000 0.219 192 G C 1.007 175.346 174.900 -0.934 0.000 1.131 192 G CA 0.256 44.919 45.100 -0.729 0.000 0.775 192 G HN 0.639 nan 8.290 nan 0.000 0.547 193 F N 1.190 120.393 119.950 -1.244 0.000 2.802 193 F HA 0.083 4.610 4.527 0.000 0.000 0.300 193 F C 2.769 178.338 175.800 -0.386 0.000 1.168 193 F CA 0.702 58.118 58.000 -0.973 0.000 1.433 193 F CB 0.012 38.419 39.000 -0.989 0.000 1.115 193 F HN 0.353 nan 8.300 nan 0.000 0.582 194 Q N -0.766 118.815 119.800 -0.364 0.000 2.432 194 Q HA -0.079 4.261 4.340 0.000 0.000 0.205 194 Q C -0.512 175.425 176.000 -0.106 0.000 0.945 194 Q CA 0.769 56.461 55.803 -0.185 0.000 0.924 194 Q CB -0.294 28.236 28.738 -0.347 0.000 1.016 194 Q HN 0.261 nan 8.270 nan 0.000 0.503 195 Y N 2.274 122.608 120.300 0.058 0.000 2.320 195 Y HA 0.284 4.834 4.550 0.000 0.000 0.334 195 Y C 0.560 176.402 175.900 -0.097 0.000 1.055 195 Y CA -1.573 56.510 58.100 -0.028 0.000 1.143 195 Y CB 1.381 39.782 38.460 -0.099 0.000 1.193 195 Y HN 0.110 nan 8.280 nan 0.000 0.477 196 S N 3.296 118.805 115.700 -0.317 0.000 2.600 196 S HA 0.224 4.694 4.470 0.000 0.000 0.265 196 S C -1.971 172.311 174.600 -0.530 0.000 1.325 196 S CA -1.077 56.450 58.200 -1.121 0.000 1.002 196 S CB 1.286 63.820 63.200 -1.110 0.000 0.921 196 S HN 0.410 nan 8.310 nan 0.000 0.554 197 P HA 0.002 nan 4.420 nan 0.000 0.216 197 P C 1.636 178.838 177.300 -0.162 0.000 1.150 197 P CA 1.670 64.626 63.100 -0.239 0.000 0.837 197 P CB -0.473 31.123 31.700 -0.174 0.000 0.786 198 G N -0.522 108.156 108.800 -0.203 0.000 2.421 198 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 198 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 198 G C 1.493 176.315 174.900 -0.130 0.000 1.143 198 G CA 0.377 45.407 45.100 -0.116 0.000 0.784 198 G HN 0.310 nan 8.290 nan 0.000 0.541 199 Q N -0.606 119.095 119.800 -0.165 0.000 2.245 199 Q HA 0.106 4.446 4.340 0.000 0.000 0.201 199 Q C 2.526 178.341 176.000 -0.309 0.000 0.955 199 Q CA 0.351 56.063 55.803 -0.151 0.000 0.870 199 Q CB -0.005 28.721 28.738 -0.020 0.000 0.945 199 Q HN 0.421 nan 8.270 nan 0.000 0.461 200 R N 0.375 120.736 120.500 -0.233 0.000 2.066 200 R HA -0.109 4.231 4.340 0.000 0.000 0.232 200 R C 2.101 178.286 176.300 -0.191 0.000 1.131 200 R CA 1.040 56.992 56.100 -0.246 0.000 0.955 200 R CB -0.183 30.077 30.300 -0.066 0.000 0.851 200 R HN 0.087 nan 8.270 nan 0.000 0.432 201 V N 1.830 121.657 119.914 -0.145 0.000 2.282 201 V HA -0.284 3.836 4.120 0.000 0.000 0.249 201 V C 2.449 178.443 176.094 -0.168 0.000 1.057 201 V CA 2.372 64.587 62.300 -0.141 0.000 1.032 201 V CB -0.577 31.201 31.823 -0.074 0.000 0.645 201 V HN 0.530 nan 8.190 nan 0.000 0.447 202 E N -0.805 119.313 120.200 -0.137 0.000 2.150 202 E HA -0.260 4.090 4.350 0.000 0.000 0.193 202 E C 2.115 178.647 176.600 -0.113 0.000 0.985 202 E CA 1.483 57.817 56.400 -0.110 0.000 0.814 202 E CB -0.179 29.477 29.700 -0.074 0.000 0.752 202 E HN 0.592 nan 8.360 nan 0.000 0.466 203 F N 0.980 120.727 119.950 -0.338 0.000 2.259 203 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 203 F C 1.834 177.499 175.800 -0.225 0.000 1.088 203 F CA 0.790 58.589 58.000 -0.335 0.000 1.358 203 F CB 0.010 38.630 39.000 -0.633 0.000 1.040 203 F HN -0.018 nan 8.300 nan 0.000 0.505 204 L N -1.020 120.012 121.223 -0.318 0.000 2.131 204 L HA -0.138 4.202 4.340 0.000 0.000 0.206 204 L C 2.268 178.947 176.870 -0.318 0.000 1.087 204 L CA 0.567 55.199 54.840 -0.346 0.000 0.767 204 L CB -0.528 41.379 42.059 -0.252 0.000 0.917 204 L HN -0.036 nan 8.230 nan 0.000 0.441 205 V N -0.023 119.699 119.914 -0.321 0.000 2.270 205 V HA -0.233 3.887 4.120 0.000 0.000 0.245 205 V C 2.121 178.114 176.094 -0.169 0.000 1.043 205 V CA 1.764 63.878 62.300 -0.310 0.000 1.014 205 V CB -0.630 30.945 31.823 -0.413 0.000 0.645 205 V HN 0.474 nan 8.190 nan 0.000 0.447 206 N N 0.097 118.688 118.700 -0.182 0.000 2.223 206 N HA -0.124 4.616 4.740 0.000 0.000 0.185 206 N C 1.877 177.284 175.510 -0.171 0.000 1.016 206 N CA 1.784 54.754 53.050 -0.133 0.000 0.863 206 N CB -0.624 37.807 38.487 -0.093 0.000 0.983 206 N HN 0.455 nan 8.380 nan 0.000 0.429 207 T N 0.368 114.726 114.554 -0.327 0.000 2.708 207 T HA -0.137 4.213 4.350 0.000 0.000 0.266 207 T C 1.472 176.089 174.700 -0.138 0.000 1.037 207 T CA 0.648 62.543 62.100 -0.342 0.000 1.146 207 T CB -0.231 68.257 68.868 -0.633 0.000 0.865 207 T HN 0.427 nan 8.240 nan 0.000 0.435 208 W N 2.192 123.326 121.300 -0.277 0.000 2.363 208 W HA -0.045 4.616 4.660 0.000 0.000 0.296 208 W C 1.548 177.984 176.519 -0.140 0.000 1.212 208 W CA 1.063 58.291 57.345 -0.195 0.000 1.260 208 W CB -0.095 29.240 29.460 -0.207 0.000 1.131 208 W HN 0.252 nan 8.180 nan 0.000 0.530 209 K N 0.134 120.553 120.400 0.031 0.000 2.487 209 K HA -0.060 4.260 4.320 0.000 0.000 0.192 209 K C 1.927 178.488 176.600 -0.066 0.000 1.027 209 K CA 1.049 57.326 56.287 -0.017 0.000 1.054 209 K CB 0.010 32.520 32.500 0.017 0.000 0.824 209 K HN 0.004 nan 8.250 nan 0.000 0.510 210 S N 0.121 115.765 115.700 -0.093 0.000 2.548 210 S HA 0.086 4.556 4.470 0.000 0.000 0.215 210 S C 0.509 175.044 174.600 -0.109 0.000 0.976 210 S CA -0.153 57.996 58.200 -0.085 0.000 0.908 210 S CB 0.179 63.333 63.200 -0.078 0.000 0.781 210 S HN -0.063 nan 8.310 nan 0.000 0.519 211 K N 1.824 122.122 120.400 -0.169 0.000 2.098 211 K HA 0.405 4.725 4.320 0.000 0.000 0.261 211 K C 0.513 177.011 176.600 -0.170 0.000 0.987 211 K CA -0.440 55.730 56.287 -0.195 0.000 0.916 211 K CB 1.142 33.453 32.500 -0.315 0.000 1.039 211 K HN 0.140 nan 8.250 nan 0.000 0.455 212 K N 1.059 121.379 120.400 -0.132 0.000 1.975 212 K HA -0.066 4.254 4.320 0.000 0.000 0.210 212 K C 0.110 176.635 176.600 -0.125 0.000 1.041 212 K CA 1.266 57.492 56.287 -0.102 0.000 0.942 212 K CB -0.057 32.400 32.500 -0.072 0.000 0.729 212 K HN 0.380 nan 8.250 nan 0.000 0.439 213 N N 1.593 120.213 118.700 -0.133 0.000 2.476 213 N HA 0.234 4.974 4.740 0.000 0.000 0.257 213 N C -2.855 172.514 175.510 -0.235 0.000 0.970 213 N CA -1.742 51.222 53.050 -0.143 0.000 0.938 213 N CB 1.558 40.001 38.487 -0.075 0.000 1.144 213 N HN -0.062 nan 8.380 nan 0.000 0.500 214 P HA 0.254 nan 4.420 nan 0.000 0.286 214 P C -0.683 176.201 177.300 -0.693 0.000 1.269 214 P CA -0.441 62.160 63.100 -0.832 0.000 0.787 214 P CB 0.887 31.499 31.700 -1.813 0.000 0.920 215 M N 2.946 122.263 119.600 -0.472 0.000 2.393 215 M HA 0.690 5.170 4.480 0.000 0.000 0.316 215 M C -0.821 175.410 176.300 -0.115 0.000 1.087 215 M CA -0.266 54.863 55.300 -0.286 0.000 0.937 215 M CB 2.192 34.711 32.600 -0.136 0.000 1.668 215 M HN 0.542 nan 8.290 nan 0.000 0.438 216 G N 4.297 113.171 108.800 0.123 0.000 2.620 216 G HA2 0.792 4.752 3.960 0.000 0.000 0.301 216 G HA3 0.792 4.752 3.960 0.000 0.000 0.301 216 G C -1.862 173.156 174.900 0.196 0.000 1.347 216 G CA -0.542 44.700 45.100 0.237 0.000 0.971 216 G HN 0.754 nan 8.290 nan 0.000 0.488 217 F N -0.058 119.862 119.950 -0.051 0.000 2.645 217 F HA 0.841 5.368 4.527 -0.000 0.000 0.310 217 F C -0.217 175.565 175.800 -0.030 0.000 1.102 217 F CA -1.521 56.441 58.000 -0.062 0.000 0.952 217 F CB 1.551 40.497 39.000 -0.089 0.000 1.326 217 F HN 0.627 nan 8.300 nan 0.000 0.456 218 S N 0.915 116.666 115.700 0.086 0.000 2.549 218 S HA 0.674 5.144 4.470 0.000 0.000 0.297 218 S C -1.653 173.105 174.600 0.263 0.000 1.115 218 S CA -0.594 57.631 58.200 0.042 0.000 1.059 218 S CB 1.660 64.878 63.200 0.031 0.000 1.046 218 S HN 0.888 nan 8.310 nan 0.000 0.506 219 Y N 1.116 121.489 120.300 0.122 0.000 2.361 219 Y HA 0.491 5.041 4.550 0.000 0.000 0.337 219 Y C -1.177 174.835 175.900 0.186 0.000 0.965 219 Y CA -0.630 57.622 58.100 0.254 0.000 1.091 219 Y CB 1.643 40.354 38.460 0.417 0.000 1.182 219 Y HN 0.877 nan 8.280 nan 0.000 0.450 220 D N 3.842 124.162 120.400 -0.135 0.000 2.303 220 D HA 0.295 4.935 4.640 0.000 0.000 0.236 220 D C -1.001 175.287 176.300 -0.020 0.000 1.068 220 D CA -0.148 53.844 54.000 -0.012 0.000 0.830 220 D CB 1.361 42.141 40.800 -0.032 0.000 1.109 220 D HN 0.472 nan 8.370 nan 0.000 0.496 221 T N 3.603 118.303 114.554 0.242 0.000 2.817 221 T HA 0.231 4.581 4.350 0.000 0.000 0.293 221 T C 0.468 175.305 174.700 0.228 0.000 0.964 221 T CA -0.534 61.765 62.100 0.331 0.000 1.085 221 T CB 0.767 69.997 68.868 0.604 0.000 0.921 221 T HN 0.258 nan 8.240 nan 0.000 0.502 222 R N 2.269 122.860 120.500 0.153 0.000 2.357 222 R HA 0.193 4.533 4.340 0.000 0.000 0.330 222 R C -0.224 176.197 176.300 0.202 0.000 1.102 222 R CA -0.186 55.982 56.100 0.115 0.000 0.974 222 R CB -0.953 29.354 30.300 0.012 0.000 1.002 222 R HN 0.977 nan 8.270 nan 0.000 0.463 223 C N 4.565 124.013 119.300 0.246 0.000 3.442 223 C HA -0.161 4.299 4.460 0.000 0.000 0.288 223 C C 1.294 176.494 174.990 0.350 0.000 1.238 223 C CA -0.121 59.086 59.018 0.315 0.000 2.320 223 C CB -3.015 24.961 27.740 0.393 0.000 1.459 223 C HN 0.989 nan 8.230 nan 0.000 0.544 224 F N 1.601 121.674 119.950 0.205 0.000 2.120 224 F HA -0.189 4.338 4.527 0.000 0.000 0.300 224 F C 1.954 177.860 175.800 0.178 0.000 1.095 224 F CA 2.409 60.526 58.000 0.194 0.000 1.249 224 F CB 0.035 39.140 39.000 0.176 0.000 0.995 224 F HN 0.502 nan 8.300 nan 0.000 0.480 225 D N -0.669 119.961 120.400 0.382 0.000 2.149 225 D HA -0.173 4.467 4.640 0.000 0.000 0.198 225 D C 2.448 178.814 176.300 0.111 0.000 0.990 225 D CA 1.506 55.659 54.000 0.256 0.000 0.839 225 D CB -0.465 40.495 40.800 0.267 0.000 0.948 225 D HN 0.207 nan 8.370 nan 0.000 0.460 226 S N -1.012 114.776 115.700 0.146 0.000 2.481 226 S HA -0.078 4.392 4.470 0.000 0.000 0.231 226 S C 1.881 176.452 174.600 -0.049 0.000 0.996 226 S CA 1.380 59.591 58.200 0.018 0.000 0.942 226 S CB -0.113 63.139 63.200 0.088 0.000 0.768 226 S HN 0.509 nan 8.310 nan 0.000 0.520 227 T N -1.229 113.355 114.554 0.051 0.000 3.054 227 T HA 0.180 4.530 4.350 0.000 0.000 0.259 227 T C 0.628 175.258 174.700 -0.117 0.000 1.092 227 T CA 0.013 62.134 62.100 0.034 0.000 1.121 227 T CB -0.343 68.523 68.868 -0.003 0.000 0.912 227 T HN 0.014 nan 8.240 nan 0.000 0.489 228 V N 4.475 124.274 119.914 -0.190 0.000 2.434 228 V HA 0.209 4.329 4.120 0.000 0.000 0.281 228 V C 1.267 177.302 176.094 -0.099 0.000 1.005 228 V CA 0.065 62.269 62.300 -0.159 0.000 1.089 228 V CB -0.713 31.051 31.823 -0.098 0.000 0.978 228 V HN 0.740 nan 8.190 nan 0.000 0.474 229 T N 1.071 115.581 114.554 -0.073 0.000 2.847 229 T HA 0.229 4.580 4.350 0.000 0.000 0.279 229 T C 1.118 175.796 174.700 -0.038 0.000 0.984 229 T CA -0.270 61.795 62.100 -0.058 0.000 0.988 229 T CB 1.325 70.167 68.868 -0.043 0.000 1.040 229 T HN 0.698 nan 8.240 nan 0.000 0.528 230 E N 0.693 120.873 120.200 -0.033 0.000 2.070 230 E HA -0.318 4.032 4.350 0.000 0.000 0.197 230 E C 1.968 178.567 176.600 -0.001 0.000 1.004 230 E CA 1.903 58.296 56.400 -0.012 0.000 0.805 230 E CB -0.290 29.404 29.700 -0.011 0.000 0.744 230 E HN 0.851 nan 8.360 nan 0.000 0.451 231 N N 0.381 119.078 118.700 -0.005 0.000 2.137 231 N HA -0.201 4.539 4.740 0.000 0.000 0.190 231 N C 1.444 176.967 175.510 0.023 0.000 1.017 231 N CA 1.951 55.005 53.050 0.007 0.000 0.859 231 N CB -0.028 38.456 38.487 -0.004 0.000 1.002 231 N HN 0.121 nan 8.380 nan 0.000 0.428 232 D N -0.055 120.355 120.400 0.015 0.000 2.144 232 D HA -0.061 4.579 4.640 0.000 0.000 0.200 232 D C 1.855 178.161 176.300 0.010 0.000 0.978 232 D CA 0.883 54.900 54.000 0.028 0.000 0.833 232 D CB -0.111 40.694 40.800 0.010 0.000 0.961 232 D HN 0.472 nan 8.370 nan 0.000 0.470 233 I N 0.394 120.970 120.570 0.010 0.000 2.500 233 I HA -0.102 4.068 4.170 0.000 0.000 0.252 233 I C 2.349 178.472 176.117 0.011 0.000 1.142 233 I CA 0.630 61.941 61.300 0.020 0.000 1.451 233 I CB 0.033 38.066 38.000 0.055 0.000 1.093 233 I HN -0.145 nan 8.210 nan 0.000 0.430 234 R N -0.014 120.491 120.500 0.009 0.000 2.119 234 R HA -0.023 4.317 4.340 0.000 0.000 0.222 234 R C 2.329 178.610 176.300 -0.032 0.000 1.088 234 R CA 0.777 56.878 56.100 0.002 0.000 0.984 234 R CB -0.258 30.048 30.300 0.011 0.000 0.884 234 R HN 0.174 nan 8.270 nan 0.000 0.447 235 V N 1.490 121.387 119.914 -0.028 0.000 2.295 235 V HA -0.258 3.862 4.120 0.000 0.000 0.246 235 V C 2.377 178.382 176.094 -0.148 0.000 1.049 235 V CA 1.884 64.153 62.300 -0.051 0.000 1.024 235 V CB -0.459 31.371 31.823 0.011 0.000 0.648 235 V HN 0.388 nan 8.190 nan 0.000 0.447 236 E N 0.007 120.096 120.200 -0.184 0.000 2.086 236 E HA -0.329 4.021 4.350 0.000 0.000 0.200 236 E C 2.299 178.453 176.600 -0.743 0.000 1.012 236 E CA 1.983 58.142 56.400 -0.402 0.000 0.812 236 E CB -0.191 29.351 29.700 -0.264 0.000 0.743 236 E HN 0.680 nan 8.360 nan 0.000 0.453 237 E N 0.071 120.037 120.200 -0.390 0.000 2.150 237 E HA -0.158 4.192 4.350 0.000 0.000 0.193 237 E C 2.089 178.602 176.600 -0.144 0.000 0.985 237 E CA 1.327 57.599 56.400 -0.214 0.000 0.814 237 E CB -0.051 29.678 29.700 0.049 0.000 0.752 237 E HN 0.310 nan 8.360 nan 0.000 0.466 238 S N 0.077 115.695 115.700 -0.136 0.000 2.447 238 S HA -0.082 4.388 4.470 0.000 0.000 0.233 238 S C 2.010 176.556 174.600 -0.090 0.000 1.006 238 S CA 0.581 58.736 58.200 -0.075 0.000 0.957 238 S CB -0.403 62.764 63.200 -0.055 0.000 0.773 238 S HN 0.275 nan 8.310 nan 0.000 0.507 239 I N 0.033 120.493 120.570 -0.183 0.000 2.233 239 I HA -0.091 4.079 4.170 0.000 0.000 0.243 239 I C 2.230 178.327 176.117 -0.034 0.000 1.093 239 I CA 1.117 62.329 61.300 -0.148 0.000 1.380 239 I CB -0.572 37.300 38.000 -0.213 0.000 1.067 239 I HN 0.206 nan 8.210 nan 0.000 0.413 240 Y N 1.270 121.559 120.300 -0.019 0.000 2.165 240 Y HA -0.234 4.316 4.550 0.000 0.000 0.286 240 Y C 2.648 178.548 175.900 -0.001 0.000 1.155 240 Y CA 0.736 58.830 58.100 -0.010 0.000 1.164 240 Y CB -1.118 37.349 38.460 0.013 0.000 0.978 240 Y HN 0.258 nan 8.280 nan 0.000 0.513 241 Q N -1.338 118.546 119.800 0.141 0.000 2.436 241 Q HA -0.083 4.257 4.340 0.000 0.000 0.209 241 Q C 2.294 178.322 176.000 0.046 0.000 0.965 241 Q CA 0.799 56.652 55.803 0.083 0.000 0.910 241 Q CB -0.691 28.081 28.738 0.057 0.000 0.980 241 Q HN 0.518 nan 8.270 nan 0.000 0.491 242 C N 0.335 119.654 119.300 0.032 0.000 2.432 242 C HA -0.040 4.420 4.460 0.000 0.000 0.282 242 C C 1.589 176.590 174.990 0.019 0.000 1.388 242 C CA -0.647 58.379 59.018 0.014 0.000 1.777 242 C CB -0.763 26.974 27.740 -0.005 0.000 1.882 242 C HN 0.407 nan 8.230 nan 0.000 0.520 243 C N 1.838 121.159 119.300 0.035 0.000 2.727 243 C HA 0.073 4.533 4.460 0.000 0.000 0.401 243 C C 0.734 175.739 174.990 0.025 0.000 1.294 243 C CA -0.284 58.751 59.018 0.028 0.000 2.134 243 C CB -0.223 27.540 27.740 0.037 0.000 2.724 243 C HN 0.501 nan 8.230 nan 0.000 0.677 244 D N 1.962 122.372 120.400 0.017 0.000 2.348 244 D HA 0.287 4.927 4.640 0.000 0.000 0.259 244 D C -0.424 175.891 176.300 0.025 0.000 1.296 244 D CA 0.459 54.470 54.000 0.018 0.000 0.931 244 D CB -0.026 40.782 40.800 0.012 0.000 1.067 244 D HN 0.367 nan 8.370 nan 0.000 0.503 245 L N 1.902 123.144 121.223 0.032 0.000 2.313 245 L HA 0.618 4.958 4.340 0.000 0.000 0.268 245 L C 0.581 177.476 176.870 0.043 0.000 1.010 245 L CA -1.267 53.598 54.840 0.042 0.000 0.814 245 L CB 1.606 43.697 42.059 0.053 0.000 1.304 245 L HN 0.290 nan 8.230 nan 0.000 0.441 246 A N 1.171 124.023 122.820 0.054 0.000 2.425 246 A HA 0.382 4.702 4.320 0.000 0.000 0.249 246 A C -1.931 175.691 177.584 0.063 0.000 1.084 246 A CA -0.971 51.102 52.037 0.060 0.000 0.781 246 A CB -0.060 18.986 19.000 0.077 0.000 1.019 246 A HN 0.588 nan 8.150 nan 0.000 0.490 247 P HA -0.077 nan 4.420 nan 0.000 0.223 247 P C 1.085 178.410 177.300 0.041 0.000 1.151 247 P CA 0.973 64.096 63.100 0.039 0.000 0.787 247 P CB 0.274 31.991 31.700 0.028 0.000 0.788 248 E N -0.297 119.948 120.200 0.076 0.000 2.208 248 E HA -0.097 4.253 4.350 0.000 0.000 0.193 248 E C 1.805 178.477 176.600 0.121 0.000 0.988 248 E CA 0.832 57.294 56.400 0.104 0.000 0.828 248 E CB -0.177 29.649 29.700 0.210 0.000 0.763 248 E HN 0.112 nan 8.360 nan 0.000 0.478 249 A N 1.075 123.987 122.820 0.153 0.000 1.935 249 A HA -0.064 4.256 4.320 0.000 0.000 0.214 249 A C 2.025 179.654 177.584 0.075 0.000 1.178 249 A CA 0.476 52.612 52.037 0.165 0.000 0.640 249 A CB -0.196 18.902 19.000 0.164 0.000 0.825 249 A HN 0.093 nan 8.150 nan 0.000 0.447 250 R N -0.612 119.920 120.500 0.054 0.000 2.112 250 R HA -0.254 4.087 4.340 0.000 0.000 0.242 250 R C 2.450 178.750 176.300 -0.001 0.000 1.137 250 R CA 2.001 58.123 56.100 0.036 0.000 0.944 250 R CB -0.400 29.917 30.300 0.028 0.000 0.857 250 R HN 0.656 nan 8.270 nan 0.000 0.435 251 Q N 0.578 120.354 119.800 -0.040 0.000 2.079 251 Q HA -0.081 4.259 4.340 0.000 0.000 0.200 251 Q C 1.918 177.825 176.000 -0.154 0.000 0.974 251 Q CA 1.954 57.701 55.803 -0.093 0.000 0.840 251 Q CB -0.184 28.485 28.738 -0.116 0.000 0.898 251 Q HN 0.361 nan 8.270 nan 0.000 0.430 252 A N -0.070 122.619 122.820 -0.218 0.000 1.930 252 A HA -0.066 4.254 4.320 0.000 0.000 0.217 252 A C 2.088 179.595 177.584 -0.128 0.000 1.175 252 A CA 1.235 53.089 52.037 -0.306 0.000 0.627 252 A CB -0.567 18.120 19.000 -0.522 0.000 0.815 252 A HN 0.474 nan 8.150 nan 0.000 0.443 253 I N -0.516 120.042 120.570 -0.019 0.000 2.252 253 I HA -0.235 3.935 4.170 0.000 0.000 0.245 253 I C 2.490 178.647 176.117 0.066 0.000 1.102 253 I CA 1.755 63.101 61.300 0.078 0.000 1.385 253 I CB -0.183 37.898 38.000 0.136 0.000 1.064 253 I HN 0.387 nan 8.210 nan 0.000 0.414 254 K N 0.620 121.034 120.400 0.023 0.000 2.032 254 K HA -0.244 4.076 4.320 0.000 0.000 0.209 254 K C 2.344 178.919 176.600 -0.042 0.000 1.048 254 K CA 2.076 58.366 56.287 0.005 0.000 0.927 254 K CB -0.214 32.279 32.500 -0.012 0.000 0.712 254 K HN 0.140 nan 8.250 nan 0.000 0.441 255 S N 0.439 116.083 115.700 -0.094 0.000 2.348 255 S HA -0.101 4.369 4.470 0.000 0.000 0.221 255 S C 1.951 176.449 174.600 -0.170 0.000 1.033 255 S CA 1.327 59.449 58.200 -0.131 0.000 1.010 255 S CB -0.328 62.765 63.200 -0.179 0.000 0.891 255 S HN 0.391 nan 8.310 nan 0.000 0.442 256 L N 0.838 121.921 121.223 -0.233 0.000 2.191 256 L HA -0.085 4.256 4.340 0.000 0.000 0.212 256 L C 2.702 179.225 176.870 -0.578 0.000 1.103 256 L CA 1.413 55.979 54.840 -0.457 0.000 0.769 256 L CB -0.855 40.856 42.059 -0.580 0.000 0.908 256 L HN 0.368 nan 8.230 nan 0.000 0.438 257 T N -1.139 113.281 114.554 -0.223 0.000 2.698 257 T HA -0.116 4.234 4.350 0.000 0.000 0.260 257 T C 1.773 176.473 174.700 0.001 0.000 1.044 257 T CA 0.998 63.115 62.100 0.029 0.000 1.149 257 T CB -0.075 68.895 68.868 0.170 0.000 0.864 257 T HN 0.285 nan 8.240 nan 0.000 0.419 258 E N 1.317 121.502 120.200 -0.024 0.000 2.110 258 E HA -0.069 4.281 4.350 0.000 0.000 0.193 258 E C 2.364 178.946 176.600 -0.030 0.000 0.988 258 E CA 0.999 57.390 56.400 -0.016 0.000 0.804 258 E CB -0.151 29.536 29.700 -0.022 0.000 0.745 258 E HN 0.454 nan 8.360 nan 0.000 0.458 259 R N -0.500 119.955 120.500 -0.075 0.000 2.173 259 R HA 0.082 4.422 4.340 0.000 0.000 0.208 259 R C 1.912 178.159 176.300 -0.087 0.000 1.035 259 R CA 0.396 56.453 56.100 -0.072 0.000 1.004 259 R CB 0.202 30.448 30.300 -0.090 0.000 0.917 259 R HN 0.052 nan 8.270 nan 0.000 0.462 260 L N -2.301 118.836 121.223 -0.143 0.000 2.691 260 L HA 0.182 4.522 4.340 0.000 0.000 0.185 260 L C 1.303 178.179 176.870 0.010 0.000 1.081 260 L CA 0.671 55.434 54.840 -0.128 0.000 0.865 260 L CB -0.259 41.654 42.059 -0.242 0.000 1.370 260 L HN -0.130 nan 8.230 nan 0.000 0.488 261 Y N 0.371 120.684 120.300 0.022 0.000 2.224 261 Y HA -0.087 4.463 4.550 0.000 0.000 0.289 261 Y C 2.579 178.484 175.900 0.008 0.000 1.146 261 Y CA 1.494 59.615 58.100 0.035 0.000 1.182 261 Y CB -0.778 37.725 38.460 0.073 0.000 0.983 261 Y HN 0.156 nan 8.280 nan 0.000 0.524 262 I N -1.231 119.428 120.570 0.148 0.000 2.286 262 I HA -0.021 4.149 4.170 0.000 0.000 0.245 262 I C 1.274 177.395 176.117 0.006 0.000 1.104 262 I CA 1.329 62.670 61.300 0.068 0.000 1.397 262 I CB -0.206 37.827 38.000 0.055 0.000 1.072 262 I HN 0.266 nan 8.210 nan 0.000 0.417 263 G N -1.236 107.549 108.800 -0.025 0.000 2.342 263 G HA2 0.532 4.492 3.960 0.000 0.000 0.297 263 G HA3 0.532 4.492 3.960 0.000 0.000 0.297 263 G C -1.143 173.597 174.900 -0.266 0.000 1.313 263 G CA -0.013 45.000 45.100 -0.145 0.000 0.830 263 G HN 0.410 nan 8.290 nan 0.000 0.506 264 G N -0.951 107.402 108.800 -0.745 0.000 2.339 264 G HA2 0.628 4.588 3.960 0.000 0.000 0.302 264 G HA3 0.628 4.588 3.960 0.000 0.000 0.302 264 G C -3.486 170.778 174.900 -1.060 0.000 1.425 264 G CA -0.121 44.520 45.100 -0.765 0.000 0.899 264 G HN 0.691 nan 8.290 nan 0.000 0.619 265 P HA 0.436 nan 4.420 nan 0.000 0.271 265 P C -0.412 176.806 177.300 -0.137 0.000 1.218 265 P CA -0.130 62.869 63.100 -0.167 0.000 0.780 265 P CB 1.128 32.863 31.700 0.057 0.000 0.901 266 L N 2.523 123.711 121.223 -0.058 0.000 2.307 266 L HA 0.486 4.826 4.340 0.000 0.000 0.284 266 L C 0.452 177.333 176.870 0.018 0.000 1.023 266 L CA -0.181 54.650 54.840 -0.014 0.000 0.810 266 L CB 1.569 43.665 42.059 0.061 0.000 1.231 266 L HN 0.290 nan 8.230 nan 0.000 0.423 267 T N 1.379 115.920 114.554 -0.021 0.000 2.841 267 T HA 0.278 4.628 4.350 0.000 0.000 0.285 267 T C -0.261 174.420 174.700 -0.032 0.000 0.991 267 T CA -0.903 61.185 62.100 -0.020 0.000 0.966 267 T CB 1.334 70.175 68.868 -0.045 0.000 0.962 267 T HN 0.646 nan 8.240 nan 0.000 0.438 268 N N 1.294 119.994 118.700 0.001 0.000 2.288 268 N HA 0.020 4.760 4.740 0.000 0.000 0.237 268 N C 1.473 176.975 175.510 -0.013 0.000 1.311 268 N CA 0.062 53.113 53.050 0.002 0.000 0.909 268 N CB 0.297 38.794 38.487 0.016 0.000 1.167 268 N HN 0.486 nan 8.380 nan 0.000 0.476 269 S N -0.713 114.989 115.700 0.004 0.000 2.442 269 S HA -0.112 4.359 4.470 0.000 0.000 0.236 269 S C 1.058 175.656 174.600 -0.004 0.000 1.007 269 S CA 0.712 58.916 58.200 0.008 0.000 0.965 269 S CB -0.374 62.846 63.200 0.034 0.000 0.773 269 S HN 0.647 nan 8.310 nan 0.000 0.504 270 K N 0.599 120.997 120.400 -0.002 0.000 2.444 270 K HA 0.242 4.562 4.320 0.000 0.000 0.193 270 K C 1.258 177.851 176.600 -0.012 0.000 1.024 270 K CA 0.408 56.692 56.287 -0.006 0.000 1.077 270 K CB -0.061 32.439 32.500 0.001 0.000 0.833 270 K HN 0.583 nan 8.250 nan 0.000 0.517 271 G N 1.539 110.328 108.800 -0.017 0.000 2.175 271 G HA2 -0.285 3.675 3.960 0.000 0.000 0.244 271 G HA3 -0.285 3.675 3.960 0.000 0.000 0.244 271 G C -0.117 174.779 174.900 -0.007 0.000 0.982 271 G CA -0.162 44.925 45.100 -0.022 0.000 0.641 271 G HN 0.354 nan 8.290 nan 0.000 0.527 272 Q N 0.361 120.163 119.800 0.004 0.000 2.340 272 Q HA 0.298 4.638 4.340 0.000 0.000 0.249 272 Q C 0.479 176.496 176.000 0.030 0.000 0.957 272 Q CA -0.344 55.469 55.803 0.018 0.000 0.882 272 Q CB 0.710 29.462 28.738 0.023 0.000 1.235 272 Q HN 0.417 nan 8.270 nan 0.000 0.439 273 N N 1.590 120.314 118.700 0.041 0.000 2.442 273 N HA 0.016 4.756 4.740 0.000 0.000 0.265 273 N C -0.301 175.264 175.510 0.093 0.000 1.138 273 N CA -0.391 52.695 53.050 0.060 0.000 0.956 273 N CB 0.585 39.108 38.487 0.060 0.000 1.067 273 N HN 0.603 nan 8.380 nan 0.000 0.474 274 C N 2.863 122.237 119.300 0.124 0.000 2.735 274 C HA 0.409 4.869 4.460 0.000 0.000 0.271 274 C C 1.244 176.416 174.990 0.304 0.000 1.281 274 C CA 0.458 59.605 59.018 0.215 0.000 1.719 274 C CB -1.014 26.871 27.740 0.242 0.000 2.024 274 C HN 0.967 nan 8.230 nan 0.000 0.566 275 G N -1.111 107.793 108.800 0.173 0.000 2.288 275 G HA2 0.218 4.178 3.960 0.000 0.000 0.227 275 G HA3 0.218 4.178 3.960 0.000 0.000 0.227 275 G C -2.042 172.896 174.900 0.063 0.000 1.339 275 G CA -0.462 44.691 45.100 0.088 0.000 1.057 275 G HN 0.009 nan 8.290 nan 0.000 0.470 276 Y N 0.830 120.998 120.300 -0.220 0.000 2.457 276 Y HA 0.759 5.309 4.550 0.000 0.000 0.343 276 Y C 0.169 175.926 175.900 -0.238 0.000 0.994 276 Y CA -0.805 57.188 58.100 -0.179 0.000 1.031 276 Y CB 2.000 40.370 38.460 -0.149 0.000 1.246 276 Y HN 0.689 nan 8.280 nan 0.000 0.449 277 R N 4.516 124.731 120.500 -0.474 0.000 2.346 277 R HA 0.504 4.845 4.340 0.000 0.000 0.311 277 R C -0.478 175.603 176.300 -0.364 0.000 0.983 277 R CA -0.422 55.411 56.100 -0.444 0.000 0.880 277 R CB 0.744 30.859 30.300 -0.309 0.000 1.100 277 R HN 0.908 nan 8.270 nan 0.000 0.453 278 R N 3.012 123.291 120.500 -0.369 0.000 2.629 278 R HA 0.194 4.534 4.340 0.000 0.000 0.408 278 R C -0.378 175.774 176.300 -0.245 0.000 1.057 278 R CA -0.292 55.685 56.100 -0.204 0.000 1.119 278 R CB 0.480 30.708 30.300 -0.120 0.000 1.403 278 R HN 0.749 nan 8.270 nan 0.000 0.576 279 C N -1.528 117.571 119.300 -0.336 0.000 3.256 279 C HA 0.630 5.090 4.460 0.000 0.000 0.361 279 C C -0.030 174.882 174.990 -0.130 0.000 1.665 279 C CA -1.548 57.321 59.018 -0.248 0.000 1.445 279 C CB 1.207 28.740 27.740 -0.346 0.000 2.144 279 C HN 0.299 nan 8.230 nan 0.000 0.448 280 R N 1.168 121.643 120.500 -0.041 0.000 2.538 280 R HA 0.445 4.785 4.340 0.000 0.000 0.282 280 R C 0.084 176.433 176.300 0.081 0.000 1.009 280 R CA 0.961 57.090 56.100 0.047 0.000 1.063 280 R CB -0.174 30.192 30.300 0.110 0.000 0.945 280 R HN 1.137 nan 8.270 nan 0.000 0.414 281 A N 3.589 126.471 122.820 0.102 0.000 2.362 281 A HA 0.222 4.542 4.320 0.000 0.000 0.276 281 A C 0.964 178.644 177.584 0.159 0.000 1.153 281 A CA 0.128 52.250 52.037 0.142 0.000 0.813 281 A CB 0.485 19.577 19.000 0.153 0.000 1.081 281 A HN 1.003 nan 8.150 nan 0.000 0.507 282 S N 1.975 117.786 115.700 0.184 0.000 2.527 282 S HA 0.127 4.597 4.470 0.000 0.000 0.222 282 S C 1.029 175.726 174.600 0.161 0.000 0.985 282 S CA 0.682 58.985 58.200 0.171 0.000 0.921 282 S CB 0.072 63.380 63.200 0.181 0.000 0.772 282 S HN 1.241 nan 8.310 nan 0.000 0.529 283 G N 1.781 110.700 108.800 0.198 0.000 4.433 283 G HA2 0.519 4.479 3.960 0.000 0.000 0.304 283 G HA3 0.519 4.479 3.960 0.000 0.000 0.304 283 G C -0.185 174.843 174.900 0.213 0.000 1.254 283 G CA -0.010 45.214 45.100 0.206 0.000 0.999 283 G HN 0.679 nan 8.290 nan 0.000 0.576 284 V N -2.335 117.686 119.914 0.178 0.000 3.046 284 V HA 0.609 4.729 4.120 0.000 0.000 0.316 284 V C 1.345 177.516 176.094 0.127 0.000 1.104 284 V CA -0.944 61.475 62.300 0.197 0.000 1.006 284 V CB 1.776 33.776 31.823 0.294 0.000 1.058 284 V HN 0.093 nan 8.190 nan 0.000 0.440 285 L N 2.481 123.793 121.223 0.148 0.000 2.079 285 L HA -0.041 4.299 4.340 0.000 0.000 0.210 285 L C 2.287 179.164 176.870 0.012 0.000 1.081 285 L CA 3.105 58.014 54.840 0.115 0.000 0.752 285 L CB -0.668 41.488 42.059 0.161 0.000 0.896 285 L HN 1.092 nan 8.230 nan 0.000 0.433 286 T N -5.611 108.878 114.554 -0.109 0.000 3.148 286 T HA -0.001 4.349 4.350 0.000 0.000 0.253 286 T C 1.548 176.179 174.700 -0.114 0.000 1.134 286 T CA 0.728 62.708 62.100 -0.201 0.000 1.051 286 T CB -0.806 67.782 68.868 -0.466 0.000 0.959 286 T HN 0.315 nan 8.240 nan 0.000 0.525 287 T N 2.033 116.556 114.554 -0.052 0.000 2.652 287 T HA -0.169 4.181 4.350 0.000 0.000 0.267 287 T C 2.220 176.935 174.700 0.025 0.000 1.039 287 T CA 1.837 63.945 62.100 0.014 0.000 1.153 287 T CB -0.630 68.272 68.868 0.057 0.000 0.863 287 T HN 0.582 nan 8.240 nan 0.000 0.428 288 S N -0.088 115.594 115.700 -0.029 0.000 2.338 288 S HA -0.140 4.330 4.470 0.000 0.000 0.218 288 S C 2.465 177.068 174.600 0.005 0.000 1.032 288 S CA 1.419 59.585 58.200 -0.058 0.000 0.999 288 S CB -1.005 62.037 63.200 -0.263 0.000 0.905 288 S HN 0.671 nan 8.310 nan 0.000 0.439 289 C N 1.497 120.770 119.300 -0.045 0.000 2.425 289 C HA 0.124 4.584 4.460 0.000 0.000 0.277 289 C C 2.797 177.832 174.990 0.076 0.000 1.280 289 C CA 1.088 60.107 59.018 0.002 0.000 1.744 289 C CB -1.880 25.815 27.740 -0.076 0.000 1.989 289 C HN 0.720 nan 8.230 nan 0.000 0.491 290 G N 0.497 109.349 108.800 0.087 0.000 2.421 290 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 290 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 290 G C 1.531 176.525 174.900 0.157 0.000 1.171 290 G CA 1.035 46.202 45.100 0.112 0.000 0.775 290 G HN 0.578 nan 8.290 nan 0.000 0.543 291 N N 0.443 119.251 118.700 0.179 0.000 2.120 291 N HA -0.073 4.667 4.740 0.000 0.000 0.188 291 N C 2.421 178.010 175.510 0.130 0.000 1.024 291 N CA 1.596 54.797 53.050 0.251 0.000 0.852 291 N CB -0.770 37.780 38.487 0.105 0.000 1.003 291 N HN 0.229 nan 8.380 nan 0.000 0.424 292 T N 1.606 116.229 114.554 0.114 0.000 2.720 292 T HA -0.033 4.317 4.350 0.000 0.000 0.268 292 T C 2.095 176.888 174.700 0.155 0.000 1.037 292 T CA 0.740 62.923 62.100 0.139 0.000 1.144 292 T CB -0.232 68.792 68.868 0.260 0.000 0.864 292 T HN 0.137 nan 8.240 nan 0.000 0.444 293 L N 0.481 121.776 121.223 0.120 0.000 2.027 293 L HA -0.086 4.254 4.340 0.000 0.000 0.206 293 L C 2.980 179.948 176.870 0.163 0.000 1.074 293 L CA 1.215 56.107 54.840 0.087 0.000 0.745 293 L CB -0.966 41.098 42.059 0.008 0.000 0.898 293 L HN 0.243 nan 8.230 nan 0.000 0.433 294 T N -1.342 113.334 114.554 0.203 0.000 2.821 294 T HA -0.229 4.121 4.350 0.000 0.000 0.267 294 T C 2.000 176.908 174.700 0.347 0.000 1.046 294 T CA 1.418 63.667 62.100 0.249 0.000 1.139 294 T CB -0.415 68.612 68.868 0.265 0.000 0.871 294 T HN 0.438 nan 8.240 nan 0.000 0.454 295 C N 0.560 120.134 119.300 0.458 0.000 2.446 295 C HA -0.056 4.404 4.460 0.000 0.000 0.277 295 C C 2.384 177.521 174.990 0.245 0.000 1.275 295 C CA 0.412 59.662 59.018 0.388 0.000 1.727 295 C CB -1.334 26.488 27.740 0.138 0.000 2.010 295 C HN 0.672 nan 8.230 nan 0.000 0.486 296 Y N 1.095 121.453 120.300 0.096 0.000 2.163 296 Y HA -0.107 4.443 4.550 -0.000 0.000 0.288 296 Y C 2.177 178.090 175.900 0.021 0.000 1.136 296 Y CA 2.063 60.196 58.100 0.055 0.000 1.147 296 Y CB -0.549 37.933 38.460 0.036 0.000 0.987 296 Y HN 0.330 nan 8.280 nan 0.000 0.509 297 L N 1.104 122.425 121.223 0.164 0.000 2.017 297 L HA -0.177 4.163 4.340 0.000 0.000 0.208 297 L C 2.090 178.870 176.870 -0.149 0.000 1.073 297 L CA 1.974 56.795 54.840 -0.032 0.000 0.745 297 L CB -0.832 41.187 42.059 -0.067 0.000 0.894 297 L HN 0.132 nan 8.230 nan 0.000 0.432 298 K N -0.248 120.118 120.400 -0.056 0.000 2.026 298 K HA -0.102 4.218 4.320 0.000 0.000 0.208 298 K C 2.130 178.668 176.600 -0.103 0.000 1.048 298 K CA 1.494 57.715 56.287 -0.110 0.000 0.929 298 K CB -0.487 32.046 32.500 0.055 0.000 0.713 298 K HN 0.519 nan 8.250 nan 0.000 0.439 299 A N 1.173 123.962 122.820 -0.052 0.000 1.873 299 A HA -0.153 4.167 4.320 0.000 0.000 0.215 299 A C 2.236 179.844 177.584 0.041 0.000 1.186 299 A CA 1.922 53.979 52.037 0.033 0.000 0.616 299 A CB -0.648 18.452 19.000 0.166 0.000 0.823 299 A HN 0.211 nan 8.150 nan 0.000 0.442 300 S N 0.320 115.921 115.700 -0.166 0.000 2.365 300 S HA -0.141 4.329 4.470 0.000 0.000 0.225 300 S C 2.257 176.797 174.600 -0.099 0.000 1.039 300 S CA 1.453 59.528 58.200 -0.208 0.000 1.033 300 S CB -0.561 62.368 63.200 -0.451 0.000 0.887 300 S HN 0.824 nan 8.310 nan 0.000 0.447 301 A N 1.323 124.080 122.820 -0.105 0.000 1.930 301 A HA 0.273 4.593 4.320 0.000 0.000 0.217 301 A C 2.312 179.938 177.584 0.071 0.000 1.175 301 A CA 1.444 53.465 52.037 -0.026 0.000 0.627 301 A CB -0.899 18.045 19.000 -0.094 0.000 0.815 301 A HN 0.524 nan 8.150 nan 0.000 0.443 302 A N -1.398 121.469 122.820 0.077 0.000 2.014 302 A HA -0.063 4.257 4.320 0.000 0.000 0.218 302 A C 2.186 179.822 177.584 0.087 0.000 1.163 302 A CA 1.399 53.423 52.037 -0.022 0.000 0.652 302 A CB -0.999 17.655 19.000 -0.578 0.000 0.808 302 A HN 0.560 nan 8.150 nan 0.000 0.449 303 C N -0.805 118.627 119.300 0.219 0.000 2.476 303 C HA -0.037 4.423 4.460 0.000 0.000 0.278 303 C C 2.862 177.874 174.990 0.036 0.000 1.274 303 C CA 0.910 60.078 59.018 0.250 0.000 1.713 303 C CB -1.112 26.736 27.740 0.180 0.000 2.039 303 C HN 0.628 nan 8.230 nan 0.000 0.484 304 R N 1.307 121.738 120.500 -0.116 0.000 2.083 304 R HA -0.149 4.191 4.340 0.000 0.000 0.237 304 R C 2.211 178.227 176.300 -0.473 0.000 1.137 304 R CA 1.761 57.645 56.100 -0.360 0.000 0.951 304 R CB -0.631 29.309 30.300 -0.599 0.000 0.851 304 R HN 0.531 nan 8.270 nan 0.000 0.434 305 A N 0.657 123.263 122.820 -0.356 0.000 2.172 305 A HA 0.067 4.387 4.320 0.000 0.000 0.216 305 A C 1.878 179.470 177.584 0.013 0.000 1.154 305 A CA 1.393 53.393 52.037 -0.062 0.000 0.701 305 A CB -0.097 18.969 19.000 0.109 0.000 0.789 305 A HN 0.392 nan 8.150 nan 0.000 0.465 306 A N -1.534 121.299 122.820 0.022 0.000 2.431 306 A HA 0.454 4.774 4.320 0.000 0.000 0.239 306 A C 0.903 178.513 177.584 0.044 0.000 1.230 306 A CA 0.434 52.512 52.037 0.069 0.000 0.928 306 A CB -0.119 18.985 19.000 0.173 0.000 1.006 306 A HN 0.357 nan 8.150 nan 0.000 0.520 307 K N -0.710 119.698 120.400 0.013 0.000 3.020 307 K HA -0.171 4.149 4.320 0.000 0.000 0.266 307 K C -0.625 175.984 176.600 0.015 0.000 1.067 307 K CA 0.573 56.865 56.287 0.009 0.000 0.780 307 K CB -1.833 30.677 32.500 0.018 0.000 1.220 307 K HN 0.566 nan 8.250 nan 0.000 0.483 308 L N 1.942 123.182 121.223 0.028 0.000 2.462 308 L HA 0.015 4.355 4.340 0.000 0.000 0.272 308 L C 0.953 177.829 176.870 0.011 0.000 1.166 308 L CA -0.024 54.833 54.840 0.027 0.000 0.880 308 L CB 0.403 42.496 42.059 0.057 0.000 1.142 308 L HN 0.085 nan 8.230 nan 0.000 0.473 309 Q N 2.227 122.027 119.800 -0.000 0.000 2.259 309 Q HA 0.061 4.401 4.340 0.000 0.000 0.249 309 Q C -0.010 175.978 176.000 -0.020 0.000 0.914 309 Q CA -0.416 55.381 55.803 -0.010 0.000 0.904 309 Q CB 0.968 29.698 28.738 -0.014 0.000 1.213 309 Q HN 0.476 nan 8.270 nan 0.000 0.428 310 D N 0.663 121.052 120.400 -0.018 0.000 2.755 310 D HA -0.200 4.440 4.640 0.000 0.000 0.227 310 D C -0.971 175.314 176.300 -0.025 0.000 1.211 310 D CA 0.209 54.196 54.000 -0.022 0.000 0.663 310 D CB -0.809 39.970 40.800 -0.035 0.000 0.983 310 D HN 0.509 nan 8.370 nan 0.000 0.407 311 C N 1.235 120.526 119.300 -0.014 0.000 2.638 311 C HA 0.308 4.769 4.460 0.000 0.000 0.410 311 C C 0.852 175.835 174.990 -0.011 0.000 1.404 311 C CA 0.242 59.251 59.018 -0.015 0.000 1.651 311 C CB -0.588 27.151 27.740 -0.002 0.000 2.495 311 C HN 0.435 nan 8.230 nan 0.000 0.606 312 T N 6.749 121.289 114.554 -0.023 0.000 2.861 312 T HA 0.610 4.960 4.350 0.000 0.000 0.287 312 T C -0.414 174.286 174.700 0.000 0.000 1.003 312 T CA -0.293 61.815 62.100 0.015 0.000 0.977 312 T CB 1.293 70.159 68.868 -0.003 0.000 0.996 312 T HN 0.594 nan 8.240 nan 0.000 0.448 313 M N 2.549 122.193 119.600 0.074 0.000 2.658 313 M HA 0.701 5.181 4.480 0.000 0.000 0.295 313 M C -1.712 174.692 176.300 0.173 0.000 1.248 313 M CA -1.078 54.253 55.300 0.051 0.000 0.843 313 M CB 2.507 35.107 32.600 -0.001 0.000 1.749 313 M HN 0.358 nan 8.290 nan 0.000 0.464 314 L N 1.753 123.041 121.223 0.109 0.000 2.441 314 L HA 0.697 5.037 4.340 0.000 0.000 0.270 314 L C -1.769 175.110 176.870 0.015 0.000 0.973 314 L CA -0.441 54.474 54.840 0.126 0.000 0.842 314 L CB 1.911 44.077 42.059 0.177 0.000 1.239 314 L HN 0.467 nan 8.230 nan 0.000 0.406 315 V N 4.128 124.034 119.914 -0.013 0.000 2.487 315 V HA 0.560 4.680 4.120 0.000 0.000 0.298 315 V C -0.596 175.326 176.094 -0.287 0.000 1.028 315 V CA -0.584 61.681 62.300 -0.058 0.000 0.860 315 V CB 1.792 33.678 31.823 0.105 0.000 0.991 315 V HN 0.774 nan 8.190 nan 0.000 0.427 316 N N 3.902 122.377 118.700 -0.375 0.000 2.851 316 N HA 0.596 5.336 4.740 0.000 0.000 0.248 316 N C 0.658 176.047 175.510 -0.202 0.000 1.221 316 N CA 0.644 53.252 53.050 -0.736 0.000 0.847 316 N CB 1.535 39.469 38.487 -0.921 0.000 1.150 316 N HN 1.060 nan 8.380 nan 0.000 0.507 317 G N 2.075 110.906 108.800 0.052 0.000 2.557 317 G HA2 -0.384 3.576 3.960 0.000 0.000 0.292 317 G HA3 -0.384 3.576 3.960 0.000 0.000 0.292 317 G C 0.462 175.198 174.900 -0.275 0.000 1.162 317 G CA 0.589 45.710 45.100 0.035 0.000 0.964 317 G HN 0.564 nan 8.290 nan 0.000 0.541 318 D N 1.381 121.542 120.400 -0.399 0.000 2.340 318 D HA 0.162 4.802 4.640 0.000 0.000 0.220 318 D C 0.244 176.378 176.300 -0.278 0.000 1.039 318 D CA 0.771 54.313 54.000 -0.762 0.000 0.866 318 D CB 0.078 40.485 40.800 -0.656 0.000 0.913 318 D HN 0.384 nan 8.370 nan 0.000 0.523 319 D N 0.628 120.939 120.400 -0.149 0.000 2.233 319 D HA 0.376 5.016 4.640 0.000 0.000 0.240 319 D C -1.131 175.140 176.300 -0.048 0.000 1.074 319 D CA -0.659 53.308 54.000 -0.055 0.000 0.838 319 D CB 1.534 42.303 40.800 -0.050 0.000 1.124 319 D HN 0.041 nan 8.370 nan 0.000 0.475 320 L N 4.717 125.953 121.223 0.021 0.000 2.410 320 L HA 0.545 4.885 4.340 0.000 0.000 0.270 320 L C -1.797 175.053 176.870 -0.033 0.000 0.983 320 L CA -0.751 54.101 54.840 0.020 0.000 0.822 320 L CB 1.954 44.078 42.059 0.108 0.000 1.285 320 L HN 0.139 nan 8.230 nan 0.000 0.409 321 V N 6.041 125.893 119.914 -0.104 0.000 2.531 321 V HA 0.744 4.864 4.120 0.000 0.000 0.301 321 V C -1.402 174.504 176.094 -0.314 0.000 1.034 321 V CA -0.353 61.822 62.300 -0.210 0.000 0.865 321 V CB 2.200 33.944 31.823 -0.132 0.000 0.995 321 V HN 0.584 nan 8.190 nan 0.000 0.424 322 V N 8.034 127.551 119.914 -0.662 0.000 2.417 322 V HA 0.574 4.694 4.120 0.000 0.000 0.291 322 V C -0.113 175.728 176.094 -0.422 0.000 1.024 322 V CA -0.438 61.469 62.300 -0.655 0.000 0.861 322 V CB 1.515 32.658 31.823 -1.132 0.000 0.985 322 V HN 0.754 nan 8.190 nan 0.000 0.436 323 I N 5.226 125.684 120.570 -0.188 0.000 2.389 323 I HA 0.634 4.804 4.170 0.000 0.000 0.288 323 I C 0.084 176.143 176.117 -0.096 0.000 0.999 323 I CA -0.294 60.958 61.300 -0.079 0.000 1.129 323 I CB 1.548 39.547 38.000 -0.001 0.000 1.288 323 I HN 0.865 nan 8.210 nan 0.000 0.444 324 C N 2.574 121.816 119.300 -0.095 0.000 3.307 324 C HA 0.594 5.054 4.460 0.000 0.000 0.350 324 C C -0.322 174.592 174.990 -0.126 0.000 1.549 324 C CA -0.937 58.031 59.018 -0.083 0.000 1.396 324 C CB 1.687 29.413 27.740 -0.024 0.000 1.970 324 C HN 0.598 nan 8.230 nan 0.000 0.441 325 E N 1.624 121.770 120.200 -0.091 0.000 2.289 325 E HA 0.270 4.620 4.350 0.000 0.000 0.278 325 E C -0.095 176.468 176.600 -0.061 0.000 1.032 325 E CA 0.448 56.792 56.400 -0.094 0.000 0.854 325 E CB 1.585 31.245 29.700 -0.067 0.000 1.046 325 E HN 0.693 nan 8.360 nan 0.000 0.409 326 S N 1.591 117.256 115.700 -0.058 0.000 2.531 326 S HA 0.291 4.761 4.470 0.000 0.000 0.279 326 S C 0.140 174.743 174.600 0.005 0.000 1.305 326 S CA -0.289 57.919 58.200 0.012 0.000 1.058 326 S CB 0.348 63.593 63.200 0.074 0.000 0.899 326 S HN 0.499 nan 8.310 nan 0.000 0.493 327 A N 4.245 127.077 122.820 0.020 0.000 2.965 327 A HA 0.646 4.967 4.320 0.000 0.000 0.304 327 A C 0.858 178.448 177.584 0.010 0.000 1.214 327 A CA -0.017 52.024 52.037 0.007 0.000 0.977 327 A CB -1.048 17.955 19.000 0.005 0.000 1.127 327 A HN 1.853 nan 8.150 nan 0.000 0.572 328 G N -0.824 107.981 108.800 0.009 0.000 2.764 328 G HA2 -0.137 3.824 3.960 0.000 0.000 0.686 328 G HA3 -0.137 3.824 3.960 0.000 0.000 0.686 328 G C 0.648 175.555 174.900 0.012 0.000 1.258 328 G CA -0.033 45.061 45.100 -0.011 0.000 0.846 328 G HN 0.669 nan 8.290 nan 0.000 0.596 329 T N 0.366 114.897 114.554 -0.038 0.000 2.802 329 T HA -0.175 4.176 4.350 0.000 0.000 0.269 329 T C 2.343 177.068 174.700 0.041 0.000 1.062 329 T CA 2.627 64.725 62.100 -0.003 0.000 1.133 329 T CB -0.136 68.659 68.868 -0.122 0.000 0.852 329 T HN 0.510 nan 8.240 nan 0.000 0.485 330 Q N 0.167 119.975 119.800 0.013 0.000 2.089 330 Q HA 0.094 4.434 4.340 0.000 0.000 0.195 330 Q C 2.405 178.414 176.000 0.015 0.000 0.963 330 Q CA 0.908 56.718 55.803 0.012 0.000 0.834 330 Q CB -0.212 28.526 28.738 -0.000 0.000 0.906 330 Q HN 0.501 nan 8.270 nan 0.000 0.452 331 E N 0.797 121.006 120.200 0.014 0.000 2.285 331 E HA -0.102 4.248 4.350 0.000 0.000 0.194 331 E C 1.261 177.869 176.600 0.014 0.000 0.997 331 E CA 0.425 56.832 56.400 0.012 0.000 0.845 331 E CB 0.203 29.908 29.700 0.009 0.000 0.782 331 E HN 0.276 nan 8.360 nan 0.000 0.491 332 D N 0.775 121.195 120.400 0.035 0.000 2.104 332 D HA -0.135 4.505 4.640 0.000 0.000 0.194 332 D C 1.802 178.097 176.300 -0.008 0.000 0.994 332 D CA 1.540 55.562 54.000 0.037 0.000 0.830 332 D CB -0.162 40.720 40.800 0.137 0.000 0.959 332 D HN 0.156 nan 8.370 nan 0.000 0.452 333 A N 0.613 123.442 122.820 0.015 0.000 1.930 333 A HA 0.059 4.379 4.320 0.000 0.000 0.217 333 A C 2.254 179.823 177.584 -0.025 0.000 1.175 333 A CA 1.894 53.924 52.037 -0.012 0.000 0.627 333 A CB -0.589 18.421 19.000 0.016 0.000 0.815 333 A HN 0.223 nan 8.150 nan 0.000 0.443 334 A N -0.327 122.487 122.820 -0.010 0.000 1.898 334 A HA -0.050 4.270 4.320 0.000 0.000 0.216 334 A C 2.397 179.975 177.584 -0.009 0.000 1.181 334 A CA 1.978 54.011 52.037 -0.006 0.000 0.620 334 A CB -0.792 18.209 19.000 0.001 0.000 0.819 334 A HN 0.450 nan 8.150 nan 0.000 0.442 335 S N -0.070 115.619 115.700 -0.017 0.000 2.402 335 S HA -0.019 4.451 4.470 0.000 0.000 0.229 335 S C 1.751 176.333 174.600 -0.030 0.000 1.021 335 S CA 1.030 59.223 58.200 -0.012 0.000 0.974 335 S CB -0.339 62.851 63.200 -0.016 0.000 0.800 335 S HN 0.491 nan 8.310 nan 0.000 0.484 336 L N 0.894 122.049 121.223 -0.114 0.000 2.093 336 L HA -0.034 4.306 4.340 0.000 0.000 0.208 336 L C 2.671 179.531 176.870 -0.016 0.000 1.085 336 L CA 1.124 55.845 54.840 -0.198 0.000 0.755 336 L CB -0.335 41.524 42.059 -0.333 0.000 0.904 336 L HN 0.273 nan 8.230 nan 0.000 0.435 337 R N -0.901 119.598 120.500 -0.002 0.000 2.092 337 R HA -0.111 4.229 4.340 0.000 0.000 0.231 337 R C 2.168 178.497 176.300 0.049 0.000 1.119 337 R CA 0.962 57.080 56.100 0.029 0.000 0.970 337 R CB -0.200 30.106 30.300 0.010 0.000 0.864 337 R HN 0.191 nan 8.270 nan 0.000 0.440 338 V N 0.485 120.428 119.914 0.048 0.000 2.379 338 V HA -0.216 3.904 4.120 0.000 0.000 0.245 338 V C 1.843 177.975 176.094 0.062 0.000 1.044 338 V CA 1.489 63.813 62.300 0.041 0.000 1.036 338 V CB -0.526 31.320 31.823 0.037 0.000 0.664 338 V HN 0.201 nan 8.190 nan 0.000 0.453 339 F N 1.735 121.662 119.950 -0.038 0.000 2.065 339 F HA -0.273 4.254 4.527 0.000 0.000 0.298 339 F C 2.514 178.305 175.800 -0.015 0.000 1.112 339 F CA 2.493 60.477 58.000 -0.028 0.000 1.212 339 F CB -0.645 38.331 39.000 -0.040 0.000 0.975 339 F HN 0.125 nan 8.300 nan 0.000 0.476 340 T N -0.230 114.469 114.554 0.242 0.000 2.803 340 T HA -0.229 4.121 4.350 0.000 0.000 0.269 340 T C 1.709 176.432 174.700 0.039 0.000 1.052 340 T CA 1.850 64.094 62.100 0.239 0.000 1.136 340 T CB -0.363 68.666 68.868 0.268 0.000 0.864 340 T HN 0.415 nan 8.240 nan 0.000 0.467 341 E N 0.642 120.828 120.200 -0.022 0.000 2.046 341 E HA 0.066 4.416 4.350 0.000 0.000 0.190 341 E C 2.597 179.075 176.600 -0.202 0.000 0.982 341 E CA 0.760 57.111 56.400 -0.081 0.000 0.800 341 E CB -0.214 29.453 29.700 -0.057 0.000 0.756 341 E HN 0.459 nan 8.360 nan 0.000 0.449 342 A N 1.393 124.050 122.820 -0.271 0.000 1.865 342 A HA -0.245 4.075 4.320 0.000 0.000 0.217 342 A C 2.164 179.332 177.584 -0.693 0.000 1.191 342 A CA 1.573 53.301 52.037 -0.516 0.000 0.623 342 A CB -0.474 18.311 19.000 -0.358 0.000 0.826 342 A HN 0.148 nan 8.150 nan 0.000 0.444 343 M N -0.295 119.042 119.600 -0.439 0.000 2.082 343 M HA -0.152 4.328 4.480 0.000 0.000 0.258 343 M C 2.233 178.465 176.300 -0.113 0.000 1.069 343 M CA 2.317 57.471 55.300 -0.244 0.000 1.102 343 M CB -2.098 30.282 32.600 -0.367 0.000 1.336 343 M HN 0.502 nan 8.290 nan 0.000 0.404 344 T N -0.086 114.409 114.554 -0.099 0.000 2.759 344 T HA -0.151 4.199 4.350 0.000 0.000 0.269 344 T C 1.968 176.596 174.700 -0.120 0.000 1.042 344 T CA 1.204 63.270 62.100 -0.057 0.000 1.140 344 T CB -0.239 68.606 68.868 -0.038 0.000 0.864 344 T HN 0.381 nan 8.240 nan 0.000 0.455 345 R N -0.110 120.235 120.500 -0.259 0.000 2.115 345 R HA -0.044 4.296 4.340 0.000 0.000 0.230 345 R C 1.623 177.789 176.300 -0.224 0.000 1.111 345 R CA 1.064 56.989 56.100 -0.292 0.000 0.976 345 R CB -0.236 29.809 30.300 -0.425 0.000 0.870 345 R HN 0.451 nan 8.270 nan 0.000 0.445 346 Y N 0.106 120.338 120.300 -0.113 0.000 2.529 346 Y HA 0.080 4.630 4.550 0.000 0.000 0.290 346 Y C 0.824 176.662 175.900 -0.103 0.000 1.177 346 Y CA -0.137 57.877 58.100 -0.142 0.000 1.305 346 Y CB -0.201 38.196 38.460 -0.105 0.000 1.047 346 Y HN -0.036 nan 8.280 nan 0.000 0.522 347 S N 0.119 115.842 115.700 0.038 0.000 3.886 347 S HA -0.084 4.386 4.470 0.000 0.000 0.398 347 S C -0.134 174.485 174.600 0.031 0.000 0.931 347 S CA 0.422 58.640 58.200 0.030 0.000 1.217 347 S CB -1.406 61.803 63.200 0.016 0.000 0.874 347 S HN 0.843 nan 8.310 nan 0.000 0.521 348 A N 2.177 125.038 122.820 0.068 0.000 3.474 348 A HA 0.581 4.901 4.320 0.000 0.000 0.251 348 A C -2.434 175.287 177.584 0.229 0.000 1.062 348 A CA -0.535 51.579 52.037 0.129 0.000 0.945 348 A CB 0.959 20.052 19.000 0.155 0.000 1.296 348 A HN 0.472 nan 8.150 nan 0.000 0.592 349 P HA 0.351 nan 4.420 nan 0.000 0.274 349 P C -2.915 174.474 177.300 0.149 0.000 1.231 349 P CA -1.148 62.037 63.100 0.141 0.000 0.790 349 P CB 0.792 32.502 31.700 0.018 0.000 0.951 350 P HA 0.105 nan 4.420 nan 0.000 0.277 350 P C 0.794 178.048 177.300 -0.078 0.000 1.240 350 P CA 0.036 63.054 63.100 -0.138 0.000 0.798 350 P CB 0.799 32.304 31.700 -0.324 0.000 0.979 351 G N 1.721 110.474 108.800 -0.078 0.000 2.607 351 G HA2 -0.019 3.941 3.960 0.000 0.000 0.215 351 G HA3 -0.019 3.941 3.960 0.000 0.000 0.215 351 G C -0.123 174.741 174.900 -0.061 0.000 1.275 351 G CA 0.161 45.235 45.100 -0.044 0.000 0.842 351 G HN 0.495 nan 8.290 nan 0.000 0.555 352 D N 2.350 122.708 120.400 -0.070 0.000 2.304 352 D HA 0.316 4.956 4.640 0.000 0.000 0.250 352 D C -2.224 174.010 176.300 -0.111 0.000 1.107 352 D CA -1.094 52.866 54.000 -0.067 0.000 0.885 352 D CB 1.422 42.194 40.800 -0.046 0.000 1.192 352 D HN 0.115 nan 8.370 nan 0.000 0.436 353 P HA 0.190 nan 4.420 nan 0.000 0.275 353 P C -2.500 174.764 177.300 -0.060 0.000 1.228 353 P CA -1.262 61.792 63.100 -0.076 0.000 0.786 353 P CB -0.062 31.619 31.700 -0.032 0.000 0.927 354 P HA 0.105 nan 4.420 nan 0.000 0.271 354 P C -0.674 176.608 177.300 -0.030 0.000 1.216 354 P CA 0.317 63.425 63.100 0.013 0.000 0.776 354 P CB 0.620 32.363 31.700 0.071 0.000 0.881 355 Q N 2.748 122.548 119.800 -0.000 0.000 2.321 355 Q HA 0.402 4.742 4.340 0.000 0.000 0.270 355 Q C -2.360 173.634 176.000 -0.009 0.000 1.032 355 Q CA -2.024 53.771 55.803 -0.013 0.000 0.784 355 Q CB 2.206 30.949 28.738 0.010 0.000 1.264 355 Q HN 0.407 nan 8.270 nan 0.000 0.448 356 P HA 0.194 nan 4.420 nan 0.000 0.272 356 P C -0.509 176.687 177.300 -0.174 0.000 1.230 356 P CA -0.084 62.941 63.100 -0.124 0.000 0.788 356 P CB 1.235 32.835 31.700 -0.167 0.000 0.949 357 E N 0.658 120.666 120.200 -0.320 0.000 2.331 357 E HA 0.209 4.559 4.350 0.000 0.000 0.275 357 E C -0.759 175.661 176.600 -0.299 0.000 0.895 357 E CA -0.304 55.968 56.400 -0.214 0.000 0.753 357 E CB 1.607 31.288 29.700 -0.033 0.000 1.216 357 E HN 0.443 nan 8.360 nan 0.000 0.434 358 Y N -0.380 120.078 120.300 0.262 0.000 2.500 358 Y HA 0.191 4.741 4.550 0.000 0.000 0.246 358 Y C 0.295 176.442 175.900 0.412 0.000 1.146 358 Y CA -0.436 57.883 58.100 0.365 0.000 1.230 358 Y CB 1.026 39.593 38.460 0.178 0.000 1.214 358 Y HN 0.342 nan 8.280 nan 0.000 0.526 359 D N 0.343 120.899 120.400 0.260 0.000 2.381 359 D HA 0.183 4.823 4.640 0.000 0.000 0.235 359 D C 0.781 176.871 176.300 -0.351 0.000 1.068 359 D CA -0.320 53.692 54.000 0.020 0.000 0.832 359 D CB 1.444 42.262 40.800 0.029 0.000 1.101 359 D HN 0.022 nan 8.370 nan 0.000 0.515 360 L N 3.933 124.653 121.223 -0.837 0.000 2.079 360 L HA -0.080 4.260 4.340 0.000 0.000 0.210 360 L C 1.555 178.093 176.870 -0.554 0.000 1.081 360 L CA 1.893 56.040 54.840 -1.155 0.000 0.752 360 L CB -0.359 40.788 42.059 -1.521 0.000 0.896 360 L HN 0.583 nan 8.230 nan 0.000 0.433 361 E N -0.689 119.299 120.200 -0.354 0.000 2.265 361 E HA -0.183 4.167 4.350 0.000 0.000 0.196 361 E C 2.072 178.582 176.600 -0.150 0.000 0.996 361 E CA 0.908 57.187 56.400 -0.202 0.000 0.832 361 E CB -0.179 29.456 29.700 -0.108 0.000 0.756 361 E HN 0.531 nan 8.360 nan 0.000 0.491 362 L N 0.820 121.955 121.223 -0.147 0.000 2.554 362 L HA 0.120 4.460 4.340 0.000 0.000 0.226 362 L C 0.688 177.506 176.870 -0.086 0.000 1.137 362 L CA 0.015 54.804 54.840 -0.085 0.000 0.863 362 L CB 0.152 42.185 42.059 -0.042 0.000 0.985 362 L HN 0.057 nan 8.230 nan 0.000 0.451 363 I N 0.032 120.520 120.570 -0.137 0.000 2.352 363 I HA 0.055 4.225 4.170 0.000 0.000 0.290 363 I C 0.184 176.250 176.117 -0.085 0.000 1.036 363 I CA 0.173 61.410 61.300 -0.106 0.000 1.336 363 I CB 1.366 39.278 38.000 -0.146 0.000 1.407 363 I HN -0.112 nan 8.210 nan 0.000 0.497 364 T N 5.215 119.742 114.554 -0.045 0.000 2.744 364 T HA 0.445 4.795 4.350 0.000 0.000 0.291 364 T C -0.262 174.429 174.700 -0.015 0.000 0.957 364 T CA -0.599 61.486 62.100 -0.025 0.000 1.002 364 T CB 0.719 69.582 68.868 -0.009 0.000 0.919 364 T HN 0.703 nan 8.240 nan 0.000 0.468 365 S N 0.904 116.596 115.700 -0.012 0.000 2.614 365 S HA 0.426 4.896 4.470 0.000 0.000 0.275 365 S C 0.094 174.704 174.600 0.017 0.000 1.161 365 S CA -0.845 57.349 58.200 -0.008 0.000 0.969 365 S CB 0.461 63.637 63.200 -0.039 0.000 1.059 365 S HN 0.900 nan 8.310 nan 0.000 0.482 366 C N 2.022 121.338 119.300 0.028 0.000 4.497 366 C HA -0.172 4.288 4.460 0.000 0.000 0.292 366 C C 1.430 176.487 174.990 0.112 0.000 1.366 366 C CA 0.609 59.669 59.018 0.069 0.000 1.987 366 C CB -3.242 24.542 27.740 0.075 0.000 1.241 366 C HN 1.717 nan 8.230 nan 0.000 0.788 367 S N -1.851 113.898 115.700 0.082 0.000 3.270 367 S HA -0.203 4.268 4.470 0.000 0.000 0.293 367 S C 0.307 174.953 174.600 0.076 0.000 1.278 367 S CA 1.388 59.633 58.200 0.075 0.000 1.038 367 S CB -0.869 62.386 63.200 0.092 0.000 1.218 367 S HN 1.051 nan 8.310 nan 0.000 0.659 368 S N 1.883 117.639 115.700 0.093 0.000 2.638 368 S HA 0.762 5.232 4.470 0.000 0.000 0.302 368 S C -0.311 174.315 174.600 0.044 0.000 1.096 368 S CA -0.886 57.386 58.200 0.120 0.000 0.953 368 S CB 1.748 65.086 63.200 0.230 0.000 1.107 368 S HN 0.599 nan 8.310 nan 0.000 0.503 369 N N -0.785 117.931 118.700 0.026 0.000 2.329 369 N HA 0.398 5.139 4.740 0.000 0.000 0.282 369 N C -1.513 173.937 175.510 -0.100 0.000 1.198 369 N CA -0.625 52.395 53.050 -0.051 0.000 0.790 369 N CB 1.163 39.613 38.487 -0.062 0.000 1.579 369 N HN 0.319 nan 8.380 nan 0.000 0.475 370 V N 0.687 120.507 119.914 -0.158 0.000 2.555 370 V HA 0.321 4.441 4.120 0.000 0.000 0.286 370 V C 0.569 176.542 176.094 -0.201 0.000 1.044 370 V CA 0.105 62.285 62.300 -0.201 0.000 1.026 370 V CB 0.692 32.369 31.823 -0.244 0.000 0.981 370 V HN 0.820 nan 8.190 nan 0.000 0.480 371 S N 3.142 118.651 115.700 -0.318 0.000 2.697 371 S HA 0.791 5.261 4.470 0.000 0.000 0.289 371 S C -1.256 173.288 174.600 -0.094 0.000 1.149 371 S CA -0.507 57.547 58.200 -0.244 0.000 0.850 371 S CB 2.112 65.117 63.200 -0.324 0.000 1.151 371 S HN 0.581 nan 8.310 nan 0.000 0.491 372 V N 1.404 121.328 119.914 0.018 0.000 2.735 372 V HA 0.951 5.071 4.120 0.000 0.000 0.310 372 V C -0.067 175.952 176.094 -0.126 0.000 1.061 372 V CA 0.188 62.425 62.300 -0.105 0.000 0.913 372 V CB 1.207 32.737 31.823 -0.489 0.000 1.005 372 V HN 1.202 nan 8.190 nan 0.000 0.428 373 A N 4.425 127.015 122.820 -0.384 0.000 2.539 373 A HA 0.965 5.285 4.320 0.000 0.000 0.272 373 A C -1.467 175.560 177.584 -0.928 0.000 1.286 373 A CA -0.509 51.107 52.037 -0.701 0.000 0.792 373 A CB 1.513 19.852 19.000 -1.101 0.000 1.355 373 A HN 0.990 nan 8.150 nan 0.000 0.472 374 H N -0.077 118.629 119.070 -0.606 0.000 2.690 374 H HA 0.497 5.053 4.556 0.000 0.000 0.368 374 H C -0.704 174.296 175.328 -0.546 0.000 1.150 374 H CA -0.436 55.285 56.048 -0.546 0.000 1.174 374 H CB 1.231 30.658 29.762 -0.558 0.000 1.684 374 H HN 0.768 nan 8.280 nan 0.000 0.538 375 D N 0.844 121.143 120.400 -0.167 0.000 2.469 375 D HA 0.201 4.841 4.640 0.000 0.000 0.278 375 D C 1.413 177.784 176.300 0.117 0.000 1.231 375 D CA -0.182 53.789 54.000 -0.049 0.000 1.075 375 D CB 0.063 40.842 40.800 -0.035 0.000 1.121 375 D HN 0.511 nan 8.370 nan 0.000 0.571 376 A N -0.194 122.700 122.820 0.122 0.000 1.892 376 A HA -0.176 4.144 4.320 0.000 0.000 0.218 376 A C 2.095 179.754 177.584 0.125 0.000 1.188 376 A CA 2.873 54.991 52.037 0.135 0.000 0.631 376 A CB -1.236 17.814 19.000 0.084 0.000 0.822 376 A HN 0.627 nan 8.150 nan 0.000 0.447 377 S N -2.029 113.724 115.700 0.088 0.000 2.607 377 S HA 0.368 4.838 4.470 0.000 0.000 0.224 377 S C 1.433 176.081 174.600 0.079 0.000 0.969 377 S CA 1.021 59.261 58.200 0.067 0.000 0.927 377 S CB -0.162 63.063 63.200 0.041 0.000 0.772 377 S HN 1.941 nan 8.310 nan 0.000 0.533 378 G N 1.495 110.370 108.800 0.125 0.000 2.175 378 G HA2 -0.301 3.659 3.960 0.000 0.000 0.244 378 G HA3 -0.301 3.659 3.960 0.000 0.000 0.244 378 G C -0.019 174.927 174.900 0.077 0.000 0.982 378 G CA 0.124 45.285 45.100 0.101 0.000 0.641 378 G HN 0.740 nan 8.290 nan 0.000 0.527 379 K N 1.281 121.709 120.400 0.046 0.000 2.379 379 K HA 0.383 4.703 4.320 0.000 0.000 0.284 379 K C 0.811 177.385 176.600 -0.044 0.000 1.044 379 K CA -0.645 55.652 56.287 0.016 0.000 0.974 379 K CB 0.232 32.730 32.500 -0.003 0.000 0.962 379 K HN 0.309 nan 8.250 nan 0.000 0.474 380 R N 2.405 122.862 120.500 -0.072 0.000 2.486 380 R HA 0.028 4.368 4.340 0.000 0.000 0.303 380 R C -0.670 175.412 176.300 -0.363 0.000 0.958 380 R CA -0.043 55.853 56.100 -0.340 0.000 1.077 380 R CB 0.492 30.591 30.300 -0.334 0.000 0.921 380 R HN 0.311 nan 8.270 nan 0.000 0.406 381 V N 5.353 125.000 119.914 -0.444 0.000 2.487 381 V HA 0.203 4.323 4.120 0.000 0.000 0.298 381 V C -0.865 175.076 176.094 -0.256 0.000 1.028 381 V CA -0.821 61.310 62.300 -0.283 0.000 0.860 381 V CB 1.337 33.035 31.823 -0.207 0.000 0.991 381 V HN 0.551 nan 8.190 nan 0.000 0.427 382 Y N 5.914 126.184 120.300 -0.050 0.000 2.316 382 Y HA 0.556 5.106 4.550 0.000 0.000 0.331 382 Y C 0.060 176.001 175.900 0.069 0.000 1.083 382 Y CA -0.191 57.898 58.100 -0.019 0.000 1.206 382 Y CB 0.877 39.293 38.460 -0.074 0.000 1.195 382 Y HN 0.707 nan 8.280 nan 0.000 0.497 383 Y N 1.206 121.544 120.300 0.064 0.000 2.644 383 Y HA 0.721 5.271 4.550 0.000 0.000 0.338 383 Y C -2.212 173.720 175.900 0.053 0.000 1.119 383 Y CA -2.238 55.875 58.100 0.020 0.000 1.060 383 Y CB 0.767 39.203 38.460 -0.040 0.000 1.294 383 Y HN 0.402 nan 8.280 nan 0.000 0.472 384 L N 2.151 123.343 121.223 -0.052 0.000 2.282 384 L HA 0.684 5.025 4.340 0.000 0.000 0.288 384 L C 0.038 176.977 176.870 0.116 0.000 1.033 384 L CA 0.304 55.106 54.840 -0.063 0.000 0.807 384 L CB 1.323 43.391 42.059 0.016 0.000 1.209 384 L HN 1.038 nan 8.230 nan 0.000 0.423 385 T N 4.333 118.928 114.554 0.069 0.000 2.762 385 T HA 0.886 5.236 4.350 0.000 0.000 0.272 385 T C -0.919 173.956 174.700 0.291 0.000 0.982 385 T CA -0.554 61.738 62.100 0.319 0.000 1.013 385 T CB 1.083 70.079 68.868 0.213 0.000 1.309 385 T HN 0.819 nan 8.240 nan 0.000 0.572 386 R N 0.178 120.794 120.500 0.194 0.000 2.752 386 R HA 0.428 4.768 4.340 0.000 0.000 0.277 386 R C -1.690 174.471 176.300 -0.232 0.000 1.024 386 R CA -0.967 55.110 56.100 -0.037 0.000 0.866 386 R CB 0.272 30.498 30.300 -0.122 0.000 1.278 386 R HN 0.472 nan 8.270 nan 0.000 0.473 387 D N 1.689 121.941 120.400 -0.246 0.000 2.401 387 D HA 0.102 4.742 4.640 0.000 0.000 0.254 387 D C -1.504 174.446 176.300 -0.583 0.000 1.192 387 D CA -1.444 52.358 54.000 -0.331 0.000 0.885 387 D CB 1.362 42.054 40.800 -0.181 0.000 1.147 387 D HN 0.341 nan 8.370 nan 0.000 0.478 388 P HA 0.070 nan 4.420 nan 0.000 0.257 388 P C 0.967 177.943 177.300 -0.541 0.000 1.325 388 P CA -0.018 62.398 63.100 -1.139 0.000 0.850 388 P CB 0.371 31.172 31.700 -1.499 0.000 1.324 389 T N -0.576 113.779 114.554 -0.331 0.000 2.737 389 T HA -0.102 4.248 4.350 0.000 0.000 0.265 389 T C 1.676 176.312 174.700 -0.108 0.000 1.038 389 T CA 2.180 64.185 62.100 -0.159 0.000 1.144 389 T CB -0.890 67.930 68.868 -0.080 0.000 0.866 389 T HN 0.207 nan 8.240 nan 0.000 0.434 390 T N 2.311 116.800 114.554 -0.109 0.000 2.668 390 T HA -0.050 4.300 4.350 0.000 0.000 0.262 390 T C -0.510 174.132 174.700 -0.097 0.000 1.045 390 T CA 1.105 63.158 62.100 -0.077 0.000 1.152 390 T CB -1.409 67.439 68.868 -0.032 0.000 0.864 390 T HN 0.302 nan 8.240 nan 0.000 0.419 391 P HA -0.067 nan 4.420 nan 0.000 0.216 391 P C 1.539 178.861 177.300 0.036 0.000 1.154 391 P CA 1.051 64.132 63.100 -0.032 0.000 0.865 391 P CB -0.190 31.451 31.700 -0.097 0.000 0.789 392 L N -1.621 119.580 121.223 -0.036 0.000 2.072 392 L HA -0.092 4.248 4.340 0.000 0.000 0.205 392 L C 2.453 179.364 176.870 0.068 0.000 1.079 392 L CA 1.299 56.153 54.840 0.023 0.000 0.752 392 L CB -1.024 41.007 42.059 -0.046 0.000 0.906 392 L HN -0.055 nan 8.230 nan 0.000 0.436 393 A N 0.206 123.051 122.820 0.041 0.000 1.940 393 A HA -0.225 4.095 4.320 0.000 0.000 0.219 393 A C 2.339 179.994 177.584 0.120 0.000 1.176 393 A CA 1.581 53.665 52.037 0.078 0.000 0.631 393 A CB -0.442 18.579 19.000 0.036 0.000 0.814 393 A HN 0.343 nan 8.150 nan 0.000 0.446 394 R N -0.849 119.696 120.500 0.076 0.000 2.119 394 R HA 0.071 4.412 4.340 0.000 0.000 0.222 394 R C 2.427 178.885 176.300 0.263 0.000 1.088 394 R CA 0.910 57.073 56.100 0.105 0.000 0.984 394 R CB -0.339 29.960 30.300 -0.003 0.000 0.884 394 R HN 0.503 nan 8.270 nan 0.000 0.447 395 A N 1.319 124.326 122.820 0.311 0.000 1.930 395 A HA -0.068 4.253 4.320 0.000 0.000 0.217 395 A C 2.343 180.200 177.584 0.456 0.000 1.175 395 A CA 1.523 53.872 52.037 0.521 0.000 0.627 395 A CB -0.501 18.850 19.000 0.585 0.000 0.815 395 A HN 0.362 nan 8.150 nan 0.000 0.443 396 A N -1.118 121.869 122.820 0.278 0.000 1.877 396 A HA -0.205 4.115 4.320 0.000 0.000 0.216 396 A C 2.117 179.827 177.584 0.210 0.000 1.186 396 A CA 1.438 53.591 52.037 0.193 0.000 0.620 396 A CB -0.938 18.152 19.000 0.149 0.000 0.822 396 A HN 0.811 nan 8.150 nan 0.000 0.443 397 W N 0.915 122.267 121.300 0.086 0.000 2.335 397 W HA -0.164 4.496 4.660 0.000 0.000 0.311 397 W C 1.768 178.341 176.519 0.090 0.000 1.213 397 W CA 2.036 59.417 57.345 0.059 0.000 1.274 397 W CB -0.356 29.121 29.460 0.029 0.000 1.148 397 W HN 0.558 nan 8.180 nan 0.000 0.498 398 E N -0.922 119.540 120.200 0.436 0.000 2.347 398 E HA -0.126 4.224 4.350 0.000 0.000 0.196 398 E C 1.965 178.753 176.600 0.312 0.000 1.008 398 E CA 1.375 57.999 56.400 0.374 0.000 0.852 398 E CB -0.123 29.832 29.700 0.425 0.000 0.783 398 E HN 0.086 nan 8.360 nan 0.000 0.505 399 T N 0.388 115.120 114.554 0.297 0.000 2.777 399 T HA -0.112 4.238 4.350 0.000 0.000 0.266 399 T C 1.817 176.523 174.700 0.009 0.000 1.040 399 T CA 1.352 63.552 62.100 0.167 0.000 1.141 399 T CB -0.006 68.975 68.868 0.188 0.000 0.868 399 T HN 0.235 nan 8.240 nan 0.000 0.444 400 A N 0.134 122.926 122.820 -0.047 0.000 2.220 400 A HA 0.314 4.634 4.320 0.000 0.000 0.211 400 A C 0.955 178.448 177.584 -0.153 0.000 1.176 400 A CA 0.038 51.996 52.037 -0.131 0.000 0.834 400 A CB 0.396 19.277 19.000 -0.197 0.000 0.868 400 A HN 0.114 nan 8.150 nan 0.000 0.488 401 R N 0.154 120.588 120.500 -0.110 0.000 2.533 401 R HA 0.293 4.633 4.340 0.000 0.000 0.288 401 R C -1.692 174.622 176.300 0.024 0.000 1.039 401 R CA -0.512 55.560 56.100 -0.047 0.000 0.909 401 R CB 0.881 31.181 30.300 -0.000 0.000 1.195 401 R HN 0.510 nan 8.270 nan 0.000 0.438 402 H N 0.996 120.142 119.070 0.127 0.000 2.886 402 H HA 0.113 4.669 4.556 0.000 0.000 0.329 402 H C 0.542 175.952 175.328 0.137 0.000 1.044 402 H CA 0.972 57.098 56.048 0.130 0.000 1.456 402 H CB 0.763 30.575 29.762 0.085 0.000 1.464 402 H HN 0.498 nan 8.280 nan 0.000 0.573 403 T N 0.677 115.382 114.554 0.252 0.000 2.908 403 T HA 0.251 4.601 4.350 0.000 0.000 0.290 403 T C -1.722 173.036 174.700 0.097 0.000 1.034 403 T CA -2.101 60.093 62.100 0.156 0.000 1.010 403 T CB 1.827 70.772 68.868 0.128 0.000 1.068 403 T HN 0.255 nan 8.240 nan 0.000 0.481 404 P HA 0.011 nan 4.420 nan 0.000 0.213 404 P C 0.034 177.347 177.300 0.023 0.000 1.170 404 P CA 0.505 63.614 63.100 0.015 0.000 0.898 404 P CB -0.074 31.617 31.700 -0.015 0.000 0.787 405 V N 1.975 121.888 119.914 -0.001 0.000 2.383 405 V HA 0.140 4.260 4.120 0.000 0.000 0.275 405 V C 0.193 176.258 176.094 -0.049 0.000 1.036 405 V CA -0.586 61.696 62.300 -0.030 0.000 0.889 405 V CB 0.640 32.440 31.823 -0.039 0.000 0.985 405 V HN 0.098 nan 8.190 nan 0.000 0.459 406 N N 3.677 122.306 118.700 -0.119 0.000 2.521 406 N HA 0.064 4.804 4.740 0.000 0.000 0.236 406 N C 1.340 176.643 175.510 -0.345 0.000 1.067 406 N CA 0.134 53.047 53.050 -0.227 0.000 0.939 406 N CB 1.622 39.855 38.487 -0.422 0.000 1.201 406 N HN 0.820 nan 8.380 nan 0.000 0.511 407 S N 2.740 118.354 115.700 -0.143 0.000 2.368 407 S HA -0.138 4.332 4.470 0.000 0.000 0.225 407 S C 1.901 176.460 174.600 -0.069 0.000 1.030 407 S CA 0.340 58.495 58.200 -0.076 0.000 0.999 407 S CB -0.507 62.698 63.200 0.009 0.000 0.844 407 S HN 0.818 nan 8.310 nan 0.000 0.459 408 W N 1.739 122.981 121.300 -0.096 0.000 2.321 408 W HA -0.132 4.528 4.660 0.000 0.000 0.306 408 W C 1.752 178.225 176.519 -0.077 0.000 1.217 408 W CA 0.792 58.060 57.345 -0.128 0.000 1.257 408 W CB -1.138 27.949 29.460 -0.621 0.000 1.145 408 W HN 0.376 nan 8.180 nan 0.000 0.509 409 L N 2.799 123.288 121.223 -1.224 0.000 2.072 409 L HA 0.179 4.519 4.340 0.000 0.000 0.205 409 L C 2.683 179.321 176.870 -0.387 0.000 1.079 409 L CA 2.796 56.968 54.840 -1.112 0.000 0.752 409 L CB -1.405 39.755 42.059 -1.497 0.000 0.906 409 L HN 0.048 nan 8.230 nan 0.000 0.436 410 G N -0.661 107.963 108.800 -0.293 0.000 2.422 410 G HA2 -0.276 3.684 3.960 0.000 0.000 0.218 410 G HA3 -0.276 3.684 3.960 0.000 0.000 0.218 410 G C 1.435 176.353 174.900 0.031 0.000 1.146 410 G CA 0.690 45.721 45.100 -0.115 0.000 0.769 410 G HN 0.449 nan 8.290 nan 0.000 0.547 411 N N 0.559 119.329 118.700 0.118 0.000 2.244 411 N HA -0.019 4.721 4.740 0.000 0.000 0.183 411 N C 2.158 177.818 175.510 0.251 0.000 1.016 411 N CA 0.625 53.869 53.050 0.323 0.000 0.866 411 N CB -0.075 38.668 38.487 0.426 0.000 0.980 411 N HN 0.346 nan 8.380 nan 0.000 0.430 412 I N 0.591 121.260 120.570 0.165 0.000 2.439 412 I HA -0.143 4.027 4.170 0.000 0.000 0.251 412 I C 1.903 178.072 176.117 0.087 0.000 1.139 412 I CA 0.595 61.975 61.300 0.133 0.000 1.438 412 I CB -0.008 38.134 38.000 0.236 0.000 1.085 412 I HN 0.012 nan 8.210 nan 0.000 0.427 413 I N -0.088 120.539 120.570 0.094 0.000 2.193 413 I HA -0.251 3.919 4.170 0.000 0.000 0.240 413 I C 2.380 178.601 176.117 0.173 0.000 1.084 413 I CA 1.138 62.523 61.300 0.142 0.000 1.365 413 I CB -0.181 37.902 38.000 0.139 0.000 1.064 413 I HN 0.156 nan 8.210 nan 0.000 0.410 414 M N -0.730 118.900 119.600 0.051 0.000 2.288 414 M HA -0.087 4.393 4.480 0.000 0.000 0.266 414 M C 1.129 177.204 176.300 -0.375 0.000 1.072 414 M CA 1.708 56.921 55.300 -0.146 0.000 1.132 414 M CB -0.801 31.613 32.600 -0.310 0.000 1.386 414 M HN 0.208 nan 8.290 nan 0.000 0.432 415 Y N -0.583 119.693 120.300 -0.039 0.000 2.696 415 Y HA 0.498 5.048 4.550 0.000 0.000 0.260 415 Y C 1.893 177.531 175.900 -0.437 0.000 1.165 415 Y CA -0.205 57.751 58.100 -0.241 0.000 1.189 415 Y CB -0.827 37.410 38.460 -0.371 0.000 1.180 415 Y HN 0.164 nan 8.280 nan 0.000 0.538 416 A N 1.298 123.921 122.820 -0.329 0.000 1.940 416 A HA -0.219 4.101 4.320 0.000 0.000 0.221 416 A C -0.409 176.885 177.584 -0.483 0.000 1.190 416 A CA 2.020 53.812 52.037 -0.408 0.000 0.647 416 A CB -1.517 17.215 19.000 -0.447 0.000 0.821 416 A HN 0.282 nan 8.150 nan 0.000 0.457 417 P HA 0.048 nan 4.420 nan 0.000 0.241 417 P C 0.578 177.656 177.300 -0.370 0.000 1.191 417 P CA 1.148 63.984 63.100 -0.440 0.000 0.771 417 P CB -0.454 31.017 31.700 -0.382 0.000 0.929 418 T N -2.817 111.535 114.554 -0.336 0.000 2.849 418 T HA 0.173 4.523 4.350 0.000 0.000 0.284 418 T C 1.085 175.439 174.700 -0.577 0.000 1.004 418 T CA -0.690 61.214 62.100 -0.327 0.000 1.021 418 T CB 0.668 69.124 68.868 -0.686 0.000 1.013 418 T HN -0.179 nan 8.240 nan 0.000 0.527 419 L N 1.163 121.960 121.223 -0.710 0.000 2.046 419 L HA 0.065 4.405 4.340 0.000 0.000 0.208 419 L C 2.360 178.906 176.870 -0.540 0.000 1.077 419 L CA 1.536 55.806 54.840 -0.949 0.000 0.747 419 L CB -0.807 40.634 42.059 -1.030 0.000 0.896 419 L HN 0.906 nan 8.230 nan 0.000 0.432 420 W N -1.181 119.927 121.300 -0.321 0.000 2.476 420 W HA 0.179 4.839 4.660 0.000 0.000 0.281 420 W C 1.919 178.311 176.519 -0.213 0.000 1.230 420 W CA 0.596 57.784 57.345 -0.262 0.000 1.287 420 W CB -1.159 28.184 29.460 -0.195 0.000 1.108 420 W HN 0.288 nan 8.180 nan 0.000 0.567 421 A N 1.867 124.303 122.820 -0.639 0.000 1.968 421 A HA -0.076 4.244 4.320 0.000 0.000 0.217 421 A C 2.222 179.686 177.584 -0.200 0.000 1.169 421 A CA 1.311 53.106 52.037 -0.403 0.000 0.638 421 A CB -0.607 18.009 19.000 -0.639 0.000 0.812 421 A HN 0.314 nan 8.150 nan 0.000 0.446 422 R N -1.350 118.946 120.500 -0.341 0.000 2.112 422 R HA 0.226 4.566 4.340 0.000 0.000 0.216 422 R C 2.061 178.243 176.300 -0.197 0.000 1.080 422 R CA 1.158 57.079 56.100 -0.299 0.000 0.996 422 R CB -0.191 29.764 30.300 -0.574 0.000 0.902 422 R HN 0.463 nan 8.270 nan 0.000 0.449 423 M N -0.361 119.002 119.600 -0.395 0.000 2.357 423 M HA 0.070 4.550 4.480 0.000 0.000 0.266 423 M C 1.773 178.041 176.300 -0.054 0.000 1.095 423 M CA 1.390 56.519 55.300 -0.284 0.000 1.156 423 M CB 0.303 32.636 32.600 -0.445 0.000 1.365 423 M HN 0.097 nan 8.290 nan 0.000 0.447 424 I N -0.821 119.539 120.570 -0.349 0.000 3.132 424 I HA -0.088 4.082 4.170 0.000 0.000 0.255 424 I C 2.056 177.987 176.117 -0.310 0.000 1.118 424 I CA 0.280 61.046 61.300 -0.890 0.000 1.463 424 I CB -0.110 37.302 38.000 -0.981 0.000 1.356 424 I HN 0.116 nan 8.210 nan 0.000 0.463 425 L N 0.415 121.653 121.223 0.024 0.000 2.017 425 L HA -0.200 4.140 4.340 0.000 0.000 0.208 425 L C 2.623 179.801 176.870 0.512 0.000 1.073 425 L CA 1.696 56.748 54.840 0.354 0.000 0.745 425 L CB -0.298 42.012 42.059 0.419 0.000 0.894 425 L HN 0.302 nan 8.230 nan 0.000 0.432 426 M N -1.413 118.464 119.600 0.463 0.000 2.254 426 M HA -0.129 4.351 4.480 0.000 0.000 0.265 426 M C 2.128 178.973 176.300 0.909 0.000 1.066 426 M CA 1.550 57.256 55.300 0.675 0.000 1.123 426 M CB -0.411 32.392 32.600 0.339 0.000 1.388 426 M HN 0.239 nan 8.290 nan 0.000 0.425 427 T N -1.518 113.486 114.554 0.751 0.000 2.809 427 T HA -0.143 4.208 4.350 0.000 0.000 0.260 427 T C 1.652 176.654 174.700 0.503 0.000 1.039 427 T CA 1.367 63.873 62.100 0.677 0.000 1.141 427 T CB -0.428 68.885 68.868 0.742 0.000 0.869 427 T HN 0.390 nan 8.240 nan 0.000 0.437 428 H N 0.721 119.983 119.070 0.320 0.000 2.290 428 H HA -0.019 4.537 4.556 0.000 0.000 0.298 428 H C 1.651 176.856 175.328 -0.205 0.000 1.087 428 H CA 1.592 57.677 56.048 0.061 0.000 1.291 428 H CB -0.543 29.101 29.762 -0.198 0.000 1.369 428 H HN 0.328 nan 8.280 nan 0.000 0.492 429 F N -1.322 118.570 119.950 -0.097 0.000 2.416 429 F HA 0.039 4.566 4.527 0.000 0.000 0.296 429 F C 2.010 177.607 175.800 -0.337 0.000 1.099 429 F CA 0.345 58.036 58.000 -0.515 0.000 1.427 429 F CB -0.505 37.791 39.000 -1.173 0.000 1.079 429 F HN 0.123 nan 8.300 nan 0.000 0.536 430 F N -0.440 119.599 119.950 0.149 0.000 2.234 430 F HA -0.189 4.338 4.527 0.000 0.000 0.299 430 F C 2.755 178.582 175.800 0.045 0.000 1.087 430 F CA 1.499 59.602 58.000 0.172 0.000 1.340 430 F CB -0.840 38.369 39.000 0.348 0.000 1.031 430 F HN -0.072 nan 8.300 nan 0.000 0.500 431 S N 0.500 116.285 115.700 0.141 0.000 2.368 431 S HA -0.194 4.277 4.470 0.000 0.000 0.225 431 S C 2.093 176.657 174.600 -0.060 0.000 1.030 431 S CA 1.521 59.729 58.200 0.013 0.000 0.999 431 S CB -0.508 62.685 63.200 -0.011 0.000 0.844 431 S HN 0.353 nan 8.310 nan 0.000 0.459 432 I N 1.186 121.657 120.570 -0.165 0.000 2.394 432 I HA -0.112 4.058 4.170 0.000 0.000 0.251 432 I C 2.057 178.130 176.117 -0.074 0.000 1.136 432 I CA 0.914 62.110 61.300 -0.174 0.000 1.425 432 I CB -0.225 37.593 38.000 -0.304 0.000 1.079 432 I HN 0.325 nan 8.210 nan 0.000 0.425 433 L N -0.209 120.979 121.223 -0.057 0.000 2.240 433 L HA -0.128 4.212 4.340 0.000 0.000 0.211 433 L C 2.414 179.304 176.870 0.032 0.000 1.106 433 L CA 0.890 55.724 54.840 -0.011 0.000 0.793 433 L CB -0.382 41.642 42.059 -0.058 0.000 0.927 433 L HN 0.275 nan 8.230 nan 0.000 0.446 434 L N -0.008 121.243 121.223 0.047 0.000 2.027 434 L HA -0.145 4.195 4.340 0.000 0.000 0.206 434 L C 2.896 179.780 176.870 0.023 0.000 1.074 434 L CA 1.213 56.085 54.840 0.052 0.000 0.745 434 L CB -0.612 41.479 42.059 0.054 0.000 0.898 434 L HN 0.206 nan 8.230 nan 0.000 0.433 435 A N -0.988 121.833 122.820 0.002 0.000 1.978 435 A HA -0.205 4.115 4.320 0.000 0.000 0.220 435 A C 2.083 179.670 177.584 0.005 0.000 1.170 435 A CA 1.453 53.486 52.037 -0.006 0.000 0.636 435 A CB -0.227 18.757 19.000 -0.026 0.000 0.810 435 A HN 0.434 nan 8.150 nan 0.000 0.448 436 Q N -0.754 119.055 119.800 0.014 0.000 2.282 436 Q HA 0.081 4.421 4.340 0.000 0.000 0.206 436 Q C -0.563 175.459 176.000 0.037 0.000 0.878 436 Q CA 0.249 56.069 55.803 0.027 0.000 0.944 436 Q CB 0.238 28.999 28.738 0.039 0.000 1.100 436 Q HN 0.754 nan 8.270 nan 0.000 0.509 437 E N 0.852 121.074 120.200 0.037 0.000 2.228 437 E HA -0.251 4.099 4.350 0.000 0.000 0.213 437 E C -0.205 176.426 176.600 0.052 0.000 1.282 437 E CA 0.387 56.814 56.400 0.044 0.000 0.707 437 E CB -1.268 28.454 29.700 0.037 0.000 1.150 437 E HN 0.502 nan 8.360 nan 0.000 0.362 438 Q N -0.458 119.377 119.800 0.058 0.000 2.135 438 Q HA 0.213 4.553 4.340 0.000 0.000 0.222 438 Q C 1.859 177.903 176.000 0.074 0.000 0.808 438 Q CA -0.242 55.602 55.803 0.068 0.000 1.049 438 Q CB 0.463 29.249 28.738 0.080 0.000 1.168 438 Q HN 0.371 nan 8.270 nan 0.000 0.483 439 L N 0.661 121.930 121.223 0.077 0.000 2.081 439 L HA -0.232 4.108 4.340 0.000 0.000 0.212 439 L C 1.873 178.804 176.870 0.101 0.000 1.080 439 L CA 1.493 56.391 54.840 0.096 0.000 0.754 439 L CB -0.180 41.961 42.059 0.137 0.000 0.893 439 L HN 0.306 nan 8.230 nan 0.000 0.433 440 E N -0.253 119.999 120.200 0.087 0.000 2.371 440 E HA -0.087 4.263 4.350 0.000 0.000 0.194 440 E C 0.796 177.442 176.600 0.075 0.000 1.012 440 E CA 0.001 56.449 56.400 0.080 0.000 0.860 440 E CB 0.110 29.850 29.700 0.067 0.000 0.811 440 E HN 0.302 nan 8.360 nan 0.000 0.502 441 K N 2.054 122.500 120.400 0.077 0.000 2.378 441 K HA 0.200 4.520 4.320 0.000 0.000 0.288 441 K C -0.508 176.141 176.600 0.082 0.000 1.057 441 K CA -0.254 56.078 56.287 0.075 0.000 0.971 441 K CB 0.568 33.114 32.500 0.077 0.000 0.975 441 K HN -0.104 nan 8.250 nan 0.000 0.475 442 A N 5.406 128.270 122.820 0.074 0.000 2.477 442 A HA 0.308 4.628 4.320 0.000 0.000 0.246 442 A C -0.448 177.179 177.584 0.071 0.000 1.078 442 A CA -0.257 51.824 52.037 0.073 0.000 0.770 442 A CB 0.135 19.180 19.000 0.075 0.000 1.011 442 A HN 0.764 nan 8.150 nan 0.000 0.494 443 L N 1.697 122.952 121.223 0.053 0.000 2.333 443 L HA 0.413 4.754 4.340 0.000 0.000 0.269 443 L C -0.665 176.210 176.870 0.009 0.000 1.010 443 L CA -1.069 53.793 54.840 0.037 0.000 0.818 443 L CB 1.832 43.903 42.059 0.019 0.000 1.306 443 L HN 0.547 nan 8.230 nan 0.000 0.430 444 D N 0.958 121.371 120.400 0.022 0.000 2.304 444 D HA 0.459 5.099 4.640 0.000 0.000 0.250 444 D C -0.547 175.718 176.300 -0.060 0.000 1.107 444 D CA 0.023 54.038 54.000 0.025 0.000 0.885 444 D CB 1.359 42.204 40.800 0.076 0.000 1.192 444 D HN 0.616 nan 8.370 nan 0.000 0.436 445 C N 0.488 119.750 119.300 -0.064 0.000 3.241 445 C HA 0.629 5.089 4.460 0.000 0.000 0.312 445 C C -0.798 174.159 174.990 -0.055 0.000 1.350 445 C CA -0.937 58.014 59.018 -0.111 0.000 1.415 445 C CB 1.267 28.882 27.740 -0.208 0.000 1.770 445 C HN 0.500 nan 8.230 nan 0.000 0.466 446 Q N 0.517 120.283 119.800 -0.057 0.000 2.274 446 Q HA 0.777 5.117 4.340 0.000 0.000 0.260 446 Q C -1.305 174.673 176.000 -0.037 0.000 0.974 446 Q CA -0.367 55.429 55.803 -0.012 0.000 0.876 446 Q CB 2.040 30.778 28.738 -0.000 0.000 1.297 446 Q HN 0.721 nan 8.270 nan 0.000 0.446 447 I N 2.813 123.378 120.570 -0.007 0.000 2.497 447 I HA 0.162 4.332 4.170 0.000 0.000 0.284 447 I C -1.248 174.894 176.117 0.041 0.000 1.060 447 I CA -0.600 60.611 61.300 -0.148 0.000 1.071 447 I CB 1.197 38.842 38.000 -0.592 0.000 1.216 447 I HN 0.626 nan 8.210 nan 0.000 0.442 448 Y N 5.154 125.506 120.300 0.087 0.000 3.389 448 Y HA -0.227 4.323 4.550 0.000 0.000 0.213 448 Y C 1.455 177.358 175.900 0.005 0.000 1.272 448 Y CA 1.084 59.242 58.100 0.097 0.000 1.444 448 Y CB -1.882 36.651 38.460 0.121 0.000 1.445 448 Y HN 0.986 nan 8.280 nan 0.000 0.583 449 G N -2.003 106.903 108.800 0.177 0.000 2.267 449 G HA2 -0.046 3.914 3.960 0.000 0.000 0.257 449 G HA3 -0.046 3.914 3.960 0.000 0.000 0.257 449 G C 0.471 175.420 174.900 0.082 0.000 0.998 449 G CA 0.266 45.428 45.100 0.102 0.000 0.620 449 G HN 1.630 nan 8.290 nan 0.000 0.529 450 A N -0.444 122.434 122.820 0.097 0.000 2.310 450 A HA 0.643 4.963 4.320 0.000 0.000 0.299 450 A C 0.610 178.059 177.584 -0.225 0.000 1.147 450 A CA 0.430 52.411 52.037 -0.094 0.000 0.818 450 A CB 0.972 19.886 19.000 -0.143 0.000 1.096 450 A HN 1.594 nan 8.150 nan 0.000 0.495 451 C N 2.927 122.024 119.300 -0.339 0.000 2.369 451 C HA 0.782 5.242 4.460 0.000 0.000 0.358 451 C C -0.859 173.748 174.990 -0.638 0.000 1.274 451 C CA -0.468 58.392 59.018 -0.263 0.000 1.935 451 C CB -1.314 26.416 27.740 -0.017 0.000 2.431 451 C HN 0.672 nan 8.230 nan 0.000 0.545 452 Y N 2.579 122.678 120.300 -0.335 0.000 2.570 452 Y HA 0.522 5.073 4.550 0.000 0.000 0.345 452 Y C 0.382 176.136 175.900 -0.244 0.000 1.014 452 Y CA -0.473 57.362 58.100 -0.442 0.000 1.063 452 Y CB 1.861 39.997 38.460 -0.539 0.000 1.272 452 Y HN 0.587 nan 8.280 nan 0.000 0.477 453 S N 2.415 118.095 115.700 -0.033 0.000 2.456 453 S HA 0.738 5.208 4.470 0.000 0.000 0.316 453 S C -1.141 173.510 174.600 0.084 0.000 1.089 453 S CA -0.341 57.901 58.200 0.070 0.000 1.101 453 S CB -0.108 63.178 63.200 0.144 0.000 0.995 453 S HN 0.509 nan 8.310 nan 0.000 0.468 454 I N 3.775 124.384 120.570 0.064 0.000 2.533 454 I HA 0.321 4.491 4.170 0.000 0.000 0.290 454 I C -0.372 175.785 176.117 0.066 0.000 1.056 454 I CA -0.502 60.845 61.300 0.079 0.000 1.057 454 I CB 2.232 40.275 38.000 0.071 0.000 1.240 454 I HN 0.566 nan 8.210 nan 0.000 0.423 455 E N 7.320 127.572 120.200 0.086 0.000 2.223 455 E HA 0.148 4.498 4.350 0.000 0.000 0.282 455 E C -1.762 174.902 176.600 0.107 0.000 1.046 455 E CA -1.494 54.960 56.400 0.089 0.000 0.857 455 E CB 0.918 30.671 29.700 0.088 0.000 1.055 455 E HN 0.325 nan 8.360 nan 0.000 0.409 456 P HA -0.143 nan 4.420 nan 0.000 0.220 456 P C 0.884 178.334 177.300 0.250 0.000 1.148 456 P CA 0.944 64.132 63.100 0.147 0.000 0.803 456 P CB 0.237 31.986 31.700 0.081 0.000 0.782 457 L N -0.866 120.485 121.223 0.213 0.000 2.456 457 L HA -0.110 4.230 4.340 0.000 0.000 0.224 457 L C 1.235 178.213 176.870 0.179 0.000 1.148 457 L CA 1.074 56.053 54.840 0.232 0.000 0.825 457 L CB -0.676 41.484 42.059 0.169 0.000 0.937 457 L HN -0.061 nan 8.230 nan 0.000 0.450 458 D N -0.425 120.066 120.400 0.151 0.000 2.349 458 D HA -0.005 4.635 4.640 0.000 0.000 0.215 458 D C 2.257 178.626 176.300 0.115 0.000 1.016 458 D CA 0.308 54.368 54.000 0.101 0.000 0.870 458 D CB 0.206 41.051 40.800 0.075 0.000 0.917 458 D HN 0.215 nan 8.370 nan 0.000 0.524 459 L N 0.975 122.317 121.223 0.199 0.000 2.021 459 L HA -0.192 4.148 4.340 0.000 0.000 0.215 459 L C -0.469 176.519 176.870 0.196 0.000 1.074 459 L CA 1.680 56.656 54.840 0.227 0.000 0.760 459 L CB -1.441 40.836 42.059 0.363 0.000 0.889 459 L HN 0.091 nan 8.230 nan 0.000 0.433 460 P HA -0.202 nan 4.420 nan 0.000 0.215 460 P C 1.370 178.700 177.300 0.051 0.000 1.157 460 P CA 1.332 64.458 63.100 0.043 0.000 0.874 460 P CB 0.029 31.572 31.700 -0.262 0.000 0.790 461 Q N -0.682 119.097 119.800 -0.035 0.000 2.050 461 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 461 Q C 2.219 178.199 176.000 -0.032 0.000 0.980 461 Q CA 1.380 57.150 55.803 -0.055 0.000 0.840 461 Q CB -1.104 27.590 28.738 -0.075 0.000 0.898 461 Q HN 0.246 nan 8.270 nan 0.000 0.424 462 I N 0.157 120.709 120.570 -0.030 0.000 2.127 462 I HA -0.304 3.866 4.170 0.000 0.000 0.241 462 I C 2.086 178.199 176.117 -0.006 0.000 1.075 462 I CA 1.329 62.578 61.300 -0.086 0.000 1.334 462 I CB -0.352 37.620 38.000 -0.047 0.000 1.040 462 I HN 0.182 nan 8.210 nan 0.000 0.405 463 I N 0.280 120.919 120.570 0.116 0.000 2.286 463 I HA -0.282 3.888 4.170 0.000 0.000 0.248 463 I C 2.661 178.822 176.117 0.074 0.000 1.115 463 I CA 1.380 62.770 61.300 0.149 0.000 1.392 463 I CB -0.420 37.618 38.000 0.064 0.000 1.065 463 I HN 0.303 nan 8.210 nan 0.000 0.418 464 E N 1.046 121.343 120.200 0.162 0.000 2.077 464 E HA -0.227 4.123 4.350 0.000 0.000 0.193 464 E C 2.399 179.010 176.600 0.018 0.000 0.989 464 E CA 1.003 57.493 56.400 0.150 0.000 0.800 464 E CB 0.134 29.954 29.700 0.199 0.000 0.746 464 E HN 0.308 nan 8.360 nan 0.000 0.452 465 R N 0.248 120.725 120.500 -0.038 0.000 2.066 465 R HA -0.076 4.264 4.340 0.000 0.000 0.232 465 R C 2.564 178.781 176.300 -0.138 0.000 1.131 465 R CA 0.848 56.892 56.100 -0.094 0.000 0.955 465 R CB -0.637 29.577 30.300 -0.144 0.000 0.851 465 R HN 0.327 nan 8.270 nan 0.000 0.432 466 L N -0.517 120.590 121.223 -0.194 0.000 2.072 466 L HA -0.128 4.212 4.340 0.000 0.000 0.205 466 L C 2.001 178.569 176.870 -0.504 0.000 1.079 466 L CA 1.214 55.823 54.840 -0.385 0.000 0.752 466 L CB -0.338 41.421 42.059 -0.501 0.000 0.906 466 L HN 0.309 nan 8.230 nan 0.000 0.436 467 H N -1.254 117.731 119.070 -0.142 0.000 3.058 467 H HA 0.298 4.854 4.556 0.000 0.000 0.258 467 H C 0.920 176.167 175.328 -0.135 0.000 1.015 467 H CA 0.762 56.716 56.048 -0.156 0.000 1.210 467 H CB 1.103 30.741 29.762 -0.208 0.000 1.481 467 H HN 0.285 nan 8.280 nan 0.000 0.492 468 G N 1.048 109.842 108.800 -0.010 0.000 2.699 468 G HA2 -0.216 3.744 3.960 0.000 0.000 0.686 468 G HA3 -0.216 3.744 3.960 0.000 0.000 0.686 468 G C 0.545 175.447 174.900 0.003 0.000 1.301 468 G CA -0.220 44.881 45.100 0.002 0.000 0.816 468 G HN 0.213 nan 8.290 nan 0.000 0.595 469 L N 0.893 122.184 121.223 0.113 0.000 2.349 469 L HA -0.105 4.235 4.340 0.000 0.000 0.220 469 L C 3.004 179.994 176.870 0.200 0.000 1.130 469 L CA 2.048 57.065 54.840 0.295 0.000 0.791 469 L CB -0.342 41.888 42.059 0.286 0.000 0.918 469 L HN 0.845 nan 8.230 nan 0.000 0.444 470 S N -0.812 114.908 115.700 0.034 0.000 2.481 470 S HA -0.025 4.445 4.470 0.000 0.000 0.231 470 S C 2.041 176.569 174.600 -0.120 0.000 0.996 470 S CA 0.533 58.727 58.200 -0.010 0.000 0.942 470 S CB -0.157 63.022 63.200 -0.036 0.000 0.768 470 S HN 0.354 nan 8.310 nan 0.000 0.520 471 A N 0.839 123.487 122.820 -0.288 0.000 2.121 471 A HA 0.212 4.532 4.320 0.000 0.000 0.218 471 A C 1.381 178.698 177.584 -0.444 0.000 1.154 471 A CA 0.708 52.467 52.037 -0.463 0.000 0.679 471 A CB -0.812 17.800 19.000 -0.646 0.000 0.795 471 A HN 0.569 nan 8.150 nan 0.000 0.458 472 F N -0.148 119.820 119.950 0.030 0.000 2.765 472 F HA 0.120 4.647 4.527 0.000 0.000 0.302 472 F C 1.852 177.717 175.800 0.107 0.000 1.111 472 F CA 0.707 58.761 58.000 0.091 0.000 1.359 472 F CB 0.189 39.285 39.000 0.159 0.000 1.097 472 F HN 0.265 nan 8.300 nan 0.000 0.577 473 S N -1.542 114.268 115.700 0.183 0.000 2.893 473 S HA 0.279 4.750 4.470 0.000 0.000 0.258 473 S C 0.049 174.723 174.600 0.123 0.000 1.034 473 S CA -0.380 57.923 58.200 0.171 0.000 1.167 473 S CB -0.532 62.764 63.200 0.161 0.000 1.137 473 S HN 0.047 nan 8.310 nan 0.000 0.650 474 L N 3.273 124.489 121.223 -0.012 0.000 2.485 474 L HA 0.343 4.683 4.340 0.000 0.000 0.275 474 L C 0.661 177.486 176.870 -0.074 0.000 1.207 474 L CA 0.409 55.138 54.840 -0.186 0.000 0.855 474 L CB 0.131 41.926 42.059 -0.441 0.000 1.114 474 L HN 0.713 nan 8.230 nan 0.000 0.485 475 H N -1.630 117.293 119.070 -0.246 0.000 2.928 475 H HA 0.343 4.899 4.556 0.000 0.000 0.285 475 H C -0.222 175.032 175.328 -0.123 0.000 1.438 475 H CA -0.707 55.283 56.048 -0.095 0.000 1.176 475 H CB 0.832 30.613 29.762 0.031 0.000 1.864 475 H HN 0.383 nan 8.280 nan 0.000 0.567 476 S N -0.370 115.446 115.700 0.193 0.000 3.405 476 S HA -0.249 4.221 4.470 0.000 0.000 0.373 476 S C -0.541 174.118 174.600 0.099 0.000 0.939 476 S CA 0.610 58.911 58.200 0.168 0.000 1.295 476 S CB -2.490 60.757 63.200 0.078 0.000 0.919 476 S HN 0.493 nan 8.310 nan 0.000 0.535 477 Y N 1.617 121.955 120.300 0.062 0.000 2.459 477 Y HA 0.216 4.766 4.550 0.000 0.000 0.349 477 Y C 1.421 177.373 175.900 0.087 0.000 1.266 477 Y CA 0.622 58.751 58.100 0.048 0.000 1.483 477 Y CB 0.362 38.840 38.460 0.029 0.000 1.362 477 Y HN 0.547 nan 8.280 nan 0.000 0.628 478 S N 1.232 117.076 115.700 0.240 0.000 2.584 478 S HA 0.207 4.678 4.470 0.000 0.000 0.273 478 S C -2.074 172.615 174.600 0.149 0.000 1.311 478 S CA -1.221 57.075 58.200 0.159 0.000 1.034 478 S CB 1.462 64.730 63.200 0.114 0.000 0.939 478 S HN 0.401 nan 8.310 nan 0.000 0.513 479 P HA 0.029 nan 4.420 nan 0.000 0.215 479 P C 1.731 179.078 177.300 0.077 0.000 1.153 479 P CA 1.554 64.707 63.100 0.088 0.000 0.853 479 P CB -0.426 31.316 31.700 0.069 0.000 0.788 480 G N -0.108 108.734 108.800 0.071 0.000 2.442 480 G HA2 -0.289 3.671 3.960 0.000 0.000 0.219 480 G HA3 -0.289 3.671 3.960 0.000 0.000 0.219 480 G C 1.673 176.611 174.900 0.065 0.000 1.141 480 G CA 0.932 46.066 45.100 0.057 0.000 0.763 480 G HN 0.272 nan 8.290 nan 0.000 0.554 481 E N 0.656 120.916 120.200 0.099 0.000 2.051 481 E HA 0.013 4.363 4.350 0.000 0.000 0.189 481 E C 2.464 179.127 176.600 0.104 0.000 0.979 481 E CA 0.539 57.015 56.400 0.127 0.000 0.803 481 E CB -0.394 29.440 29.700 0.223 0.000 0.761 481 E HN 0.466 nan 8.360 nan 0.000 0.451 482 I N 1.096 121.728 120.570 0.103 0.000 2.264 482 I HA -0.280 3.890 4.170 0.000 0.000 0.248 482 I C 1.844 177.989 176.117 0.047 0.000 1.111 482 I CA 1.092 62.431 61.300 0.065 0.000 1.382 482 I CB -0.432 37.615 38.000 0.079 0.000 1.060 482 I HN 0.151 nan 8.210 nan 0.000 0.418 483 N N 0.674 119.403 118.700 0.049 0.000 2.270 483 N HA -0.147 4.593 4.740 0.000 0.000 0.181 483 N C 1.913 177.435 175.510 0.021 0.000 1.016 483 N CA 0.889 53.960 53.050 0.035 0.000 0.870 483 N CB -0.304 38.205 38.487 0.036 0.000 0.979 483 N HN 0.380 nan 8.380 nan 0.000 0.431 484 R N 0.930 121.440 120.500 0.018 0.000 2.092 484 R HA -0.003 4.337 4.340 0.000 0.000 0.231 484 R C 1.828 178.109 176.300 -0.031 0.000 1.119 484 R CA 0.740 56.836 56.100 -0.008 0.000 0.970 484 R CB 0.006 30.298 30.300 -0.014 0.000 0.864 484 R HN -0.068 nan 8.270 nan 0.000 0.440 485 V N 0.930 120.836 119.914 -0.013 0.000 2.244 485 V HA -0.191 3.929 4.120 0.000 0.000 0.244 485 V C 2.464 178.550 176.094 -0.013 0.000 1.042 485 V CA 1.961 64.245 62.300 -0.027 0.000 1.006 485 V CB -0.778 31.056 31.823 0.019 0.000 0.641 485 V HN 0.538 nan 8.190 nan 0.000 0.446 486 A N -0.175 122.652 122.820 0.011 0.000 1.940 486 A HA -0.264 4.056 4.320 0.000 0.000 0.219 486 A C 2.587 180.184 177.584 0.022 0.000 1.176 486 A CA 2.413 54.465 52.037 0.026 0.000 0.631 486 A CB -0.844 18.177 19.000 0.035 0.000 0.814 486 A HN 0.567 nan 8.150 nan 0.000 0.446 487 S N -1.026 114.682 115.700 0.013 0.000 2.356 487 S HA -0.235 4.235 4.470 0.000 0.000 0.223 487 S C 2.110 176.714 174.600 0.008 0.000 1.032 487 S CA 1.739 59.947 58.200 0.013 0.000 1.005 487 S CB -1.158 62.046 63.200 0.007 0.000 0.867 487 S HN 0.811 nan 8.310 nan 0.000 0.449 488 C N 1.359 120.649 119.300 -0.017 0.000 2.413 488 C HA 0.036 4.496 4.460 0.000 0.000 0.276 488 C C 2.588 177.575 174.990 -0.006 0.000 1.248 488 C CA 1.027 60.027 59.018 -0.030 0.000 1.742 488 C CB -1.768 25.915 27.740 -0.094 0.000 2.017 488 C HN 0.708 nan 8.230 nan 0.000 0.481 489 L N 0.236 121.460 121.223 0.002 0.000 2.027 489 L HA -0.087 4.253 4.340 0.000 0.000 0.206 489 L C 3.026 179.910 176.870 0.023 0.000 1.074 489 L CA 1.720 56.574 54.840 0.024 0.000 0.745 489 L CB -0.935 41.157 42.059 0.056 0.000 0.898 489 L HN 0.348 nan 8.230 nan 0.000 0.433 490 R N 0.309 120.831 120.500 0.037 0.000 2.083 490 R HA -0.195 4.145 4.340 0.000 0.000 0.237 490 R C 2.371 178.733 176.300 0.103 0.000 1.137 490 R CA 1.354 57.487 56.100 0.055 0.000 0.951 490 R CB -0.352 29.983 30.300 0.059 0.000 0.851 490 R HN 0.279 nan 8.270 nan 0.000 0.434 491 K N 1.149 121.607 120.400 0.097 0.000 2.020 491 K HA -0.168 4.152 4.320 0.000 0.000 0.212 491 K C 1.853 178.613 176.600 0.268 0.000 1.050 491 K CA 1.545 57.920 56.287 0.146 0.000 0.929 491 K CB -0.082 32.466 32.500 0.081 0.000 0.714 491 K HN 0.174 nan 8.250 nan 0.000 0.443 492 L N -0.657 120.636 121.223 0.117 0.000 2.509 492 L HA 0.112 4.452 4.340 0.000 0.000 0.222 492 L C 0.967 177.664 176.870 -0.288 0.000 1.123 492 L CA 0.478 55.359 54.840 0.068 0.000 0.856 492 L CB 0.317 42.401 42.059 0.041 0.000 0.985 492 L HN 0.587 nan 8.230 nan 0.000 0.456 493 G N 0.584 109.071 108.800 -0.523 0.000 2.171 493 G HA2 -0.219 3.741 3.960 0.000 0.000 0.238 493 G HA3 -0.219 3.741 3.960 0.000 0.000 0.238 493 G C 0.018 174.759 174.900 -0.264 0.000 1.039 493 G CA -0.029 44.622 45.100 -0.750 0.000 0.759 493 G HN 0.071 nan 8.290 nan 0.000 0.501 494 V N 0.946 120.803 119.914 -0.096 0.000 2.530 494 V HA 0.378 4.498 4.120 0.000 0.000 0.282 494 V C -1.083 175.068 176.094 0.095 0.000 1.048 494 V CA -1.436 60.900 62.300 0.059 0.000 0.997 494 V CB 1.201 33.095 31.823 0.118 0.000 0.987 494 V HN 0.186 nan 8.190 nan 0.000 0.477 495 P HA 0.106 nan 4.420 nan 0.000 0.266 495 P C -2.480 174.932 177.300 0.187 0.000 1.193 495 P CA -0.650 62.464 63.100 0.023 0.000 0.770 495 P CB -0.206 31.351 31.700 -0.238 0.000 0.836 496 P HA 0.112 nan 4.420 nan 0.000 0.276 496 P C 1.023 178.499 177.300 0.294 0.000 1.244 496 P CA -0.189 63.016 63.100 0.176 0.000 0.801 496 P CB 0.770 32.524 31.700 0.090 0.000 1.006 497 L N 0.971 122.369 121.223 0.292 0.000 2.103 497 L HA -0.283 4.057 4.340 0.000 0.000 0.215 497 L C 2.840 179.891 176.870 0.302 0.000 1.080 497 L CA 2.052 57.078 54.840 0.310 0.000 0.764 497 L CB -0.833 41.317 42.059 0.152 0.000 0.890 497 L HN 0.517 nan 8.230 nan 0.000 0.435 498 R N -0.350 120.269 120.500 0.198 0.000 2.081 498 R HA -0.125 4.215 4.340 0.000 0.000 0.235 498 R C 2.045 178.433 176.300 0.147 0.000 1.131 498 R CA 1.630 57.826 56.100 0.159 0.000 0.960 498 R CB -1.154 29.201 30.300 0.092 0.000 0.856 498 R HN 0.163 nan 8.270 nan 0.000 0.436 499 V N 0.833 120.787 119.914 0.067 0.000 2.295 499 V HA -0.216 3.904 4.120 0.000 0.000 0.246 499 V C 2.141 178.222 176.094 -0.022 0.000 1.049 499 V CA 2.014 64.279 62.300 -0.057 0.000 1.024 499 V CB -0.762 30.913 31.823 -0.247 0.000 0.648 499 V HN 0.388 nan 8.190 nan 0.000 0.447 500 W N 0.064 121.452 121.300 0.148 0.000 2.325 500 W HA -0.198 4.462 4.660 0.000 0.000 0.299 500 W C 2.770 179.467 176.519 0.296 0.000 1.215 500 W CA 1.755 59.222 57.345 0.204 0.000 1.244 500 W CB -0.299 29.279 29.460 0.196 0.000 1.140 500 W HN 0.071 nan 8.180 nan 0.000 0.523 501 R N -0.668 120.147 120.500 0.526 0.000 2.092 501 R HA -0.193 4.148 4.340 0.000 0.000 0.231 501 R C 2.028 178.465 176.300 0.229 0.000 1.119 501 R CA 1.881 58.259 56.100 0.463 0.000 0.970 501 R CB -0.530 30.025 30.300 0.425 0.000 0.864 501 R HN 0.237 nan 8.270 nan 0.000 0.440 502 H N 0.226 119.356 119.070 0.101 0.000 2.357 502 H HA 0.032 4.588 4.556 0.000 0.000 0.301 502 H C 1.951 177.268 175.328 -0.018 0.000 1.082 502 H CA 1.805 57.861 56.048 0.013 0.000 1.342 502 H CB 0.201 29.954 29.762 -0.016 0.000 1.389 502 H HN 0.093 nan 8.280 nan 0.000 0.511 503 R N -0.246 120.270 120.500 0.027 0.000 2.105 503 R HA -0.107 4.233 4.340 0.000 0.000 0.239 503 R C 2.464 178.716 176.300 -0.080 0.000 1.135 503 R CA 1.075 57.154 56.100 -0.036 0.000 0.967 503 R CB -0.284 30.022 30.300 0.010 0.000 0.861 503 R HN 0.364 nan 8.270 nan 0.000 0.442 504 A N 1.176 123.991 122.820 -0.010 0.000 1.930 504 A HA -0.161 4.159 4.320 0.000 0.000 0.217 504 A C 2.073 179.413 177.584 -0.405 0.000 1.175 504 A CA 1.146 53.056 52.037 -0.210 0.000 0.627 504 A CB -0.299 18.625 19.000 -0.126 0.000 0.815 504 A HN 0.207 nan 8.150 nan 0.000 0.443 505 R N -0.485 119.825 120.500 -0.317 0.000 2.091 505 R HA -0.127 4.213 4.340 0.000 0.000 0.238 505 R C 2.658 178.772 176.300 -0.310 0.000 1.136 505 R CA 1.634 57.546 56.100 -0.313 0.000 0.959 505 R CB -0.461 29.666 30.300 -0.289 0.000 0.856 505 R HN 0.557 nan 8.270 nan 0.000 0.437 506 S N 0.090 115.598 115.700 -0.320 0.000 2.345 506 S HA -0.099 4.371 4.470 0.000 0.000 0.220 506 S C 2.047 176.500 174.600 -0.245 0.000 1.031 506 S CA 1.315 59.361 58.200 -0.256 0.000 0.996 506 S CB -0.191 62.873 63.200 -0.227 0.000 0.882 506 S HN 0.123 nan 8.310 nan 0.000 0.445 507 V N 2.846 122.578 119.914 -0.304 0.000 2.287 507 V HA -0.187 3.933 4.120 0.000 0.000 0.248 507 V C 2.726 178.559 176.094 -0.434 0.000 1.053 507 V CA 2.358 64.444 62.300 -0.357 0.000 1.027 507 V CB -0.936 30.605 31.823 -0.469 0.000 0.646 507 V HN 0.541 nan 8.190 nan 0.000 0.447 508 R N 0.465 120.619 120.500 -0.577 0.000 2.094 508 R HA -0.247 4.093 4.340 0.000 0.000 0.239 508 R C 2.291 178.470 176.300 -0.201 0.000 1.137 508 R CA 2.115 57.989 56.100 -0.376 0.000 0.943 508 R CB -0.595 29.518 30.300 -0.312 0.000 0.850 508 R HN 0.470 nan 8.270 nan 0.000 0.433 509 A N 0.898 123.604 122.820 -0.190 0.000 1.908 509 A HA -0.197 4.123 4.320 0.000 0.000 0.218 509 A C 2.240 179.768 177.584 -0.093 0.000 1.181 509 A CA 1.785 53.746 52.037 -0.127 0.000 0.627 509 A CB -0.487 18.437 19.000 -0.126 0.000 0.818 509 A HN 0.434 nan 8.150 nan 0.000 0.445 510 R N -0.664 119.776 120.500 -0.100 0.000 2.075 510 R HA 0.028 4.368 4.340 0.000 0.000 0.232 510 R C 2.089 178.374 176.300 -0.025 0.000 1.126 510 R CA 1.359 57.424 56.100 -0.057 0.000 0.963 510 R CB -0.466 29.800 30.300 -0.056 0.000 0.858 510 R HN 0.509 nan 8.270 nan 0.000 0.435 511 L N 0.395 121.600 121.223 -0.030 0.000 2.046 511 L HA -0.186 4.154 4.340 0.000 0.000 0.208 511 L C 2.279 179.159 176.870 0.016 0.000 1.077 511 L CA 1.184 56.038 54.840 0.024 0.000 0.747 511 L CB -0.383 41.698 42.059 0.037 0.000 0.896 511 L HN 0.209 nan 8.230 nan 0.000 0.432 512 L N -1.124 120.089 121.223 -0.017 0.000 2.083 512 L HA -0.223 4.117 4.340 0.000 0.000 0.209 512 L C 2.735 179.598 176.870 -0.011 0.000 1.083 512 L CA 0.998 55.828 54.840 -0.018 0.000 0.752 512 L CB -0.465 41.569 42.059 -0.043 0.000 0.899 512 L HN 0.178 nan 8.230 nan 0.000 0.433 513 S N -0.626 115.065 115.700 -0.016 0.000 2.374 513 S HA -0.212 4.258 4.470 0.000 0.000 0.227 513 S C 1.878 176.480 174.600 0.003 0.000 1.037 513 S CA 1.216 59.409 58.200 -0.011 0.000 1.024 513 S CB -0.176 63.014 63.200 -0.016 0.000 0.861 513 S HN 0.477 nan 8.310 nan 0.000 0.456 514 Q N 0.443 120.252 119.800 0.016 0.000 2.364 514 Q HA 0.140 4.480 4.340 0.000 0.000 0.207 514 Q C 1.378 177.395 176.000 0.028 0.000 0.970 514 Q CA 0.646 56.466 55.803 0.028 0.000 0.888 514 Q CB -0.666 28.100 28.738 0.047 0.000 0.951 514 Q HN 0.546 nan 8.270 nan 0.000 0.469 515 G N 0.329 109.144 108.800 0.024 0.000 2.877 515 G HA2 -0.070 3.890 3.960 0.000 0.000 0.279 515 G HA3 -0.070 3.890 3.960 0.000 0.000 0.279 515 G C 0.430 175.352 174.900 0.036 0.000 1.431 515 G CA 0.109 45.223 45.100 0.023 0.000 0.883 515 G HN 0.775 nan 8.290 nan 0.000 0.547 516 G N -0.575 108.245 108.800 0.034 0.000 2.564 516 G HA2 -0.211 3.749 3.960 0.000 0.000 0.273 516 G HA3 -0.211 3.749 3.960 0.000 0.000 0.273 516 G C 1.197 176.129 174.900 0.054 0.000 1.242 516 G CA 1.186 46.310 45.100 0.041 0.000 0.951 516 G HN 1.506 nan 8.290 nan 0.000 0.564 517 R N 0.164 120.700 120.500 0.060 0.000 2.117 517 R HA -0.081 4.259 4.340 0.000 0.000 0.243 517 R C 3.179 179.542 176.300 0.105 0.000 1.143 517 R CA 2.170 58.315 56.100 0.075 0.000 0.968 517 R CB -0.655 29.692 30.300 0.077 0.000 0.863 517 R HN 0.749 nan 8.270 nan 0.000 0.444 518 A N 1.306 124.192 122.820 0.110 0.000 1.902 518 A HA -0.114 4.206 4.320 0.000 0.000 0.217 518 A C 2.410 180.055 177.584 0.103 0.000 1.181 518 A CA 1.681 53.799 52.037 0.135 0.000 0.623 518 A CB -0.582 18.490 19.000 0.120 0.000 0.818 518 A HN 0.395 nan 8.150 nan 0.000 0.443 519 A N -0.898 121.964 122.820 0.070 0.000 1.902 519 A HA -0.087 4.234 4.320 0.000 0.000 0.217 519 A C 2.296 179.915 177.584 0.059 0.000 1.181 519 A CA 2.309 54.373 52.037 0.046 0.000 0.623 519 A CB -1.336 17.681 19.000 0.028 0.000 0.818 519 A HN 0.445 nan 8.150 nan 0.000 0.443 520 T N -0.578 114.029 114.554 0.088 0.000 2.684 520 T HA -0.226 4.124 4.350 0.000 0.000 0.267 520 T C 1.906 176.699 174.700 0.155 0.000 1.036 520 T CA 1.628 63.819 62.100 0.152 0.000 1.148 520 T CB -0.809 68.119 68.868 0.100 0.000 0.863 520 T HN 0.575 nan 8.240 nan 0.000 0.436 521 C N 1.370 120.726 119.300 0.093 0.000 2.413 521 C HA -0.001 4.459 4.460 0.000 0.000 0.276 521 C C 3.143 178.150 174.990 0.028 0.000 1.236 521 C CA 0.582 59.616 59.018 0.027 0.000 1.735 521 C CB -1.589 26.183 27.740 0.054 0.000 2.031 521 C HN 0.751 nan 8.230 nan 0.000 0.474 522 G N -0.042 108.803 108.800 0.074 0.000 2.418 522 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 522 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 522 G C 1.625 176.554 174.900 0.049 0.000 1.158 522 G CA 1.169 46.329 45.100 0.100 0.000 0.771 522 G HN 0.647 nan 8.290 nan 0.000 0.545 523 K N -0.689 119.694 120.400 -0.029 0.000 1.973 523 K HA -0.067 4.253 4.320 0.000 0.000 0.210 523 K C 2.273 178.720 176.600 -0.256 0.000 1.045 523 K CA 1.229 57.406 56.287 -0.184 0.000 0.937 523 K CB -0.326 31.995 32.500 -0.298 0.000 0.721 523 K HN 0.387 nan 8.250 nan 0.000 0.438 524 Y N 0.885 121.044 120.300 -0.234 0.000 2.243 524 Y HA -0.058 4.492 4.550 0.000 0.000 0.293 524 Y C 2.088 177.868 175.900 -0.200 0.000 1.124 524 Y CA 0.882 58.721 58.100 -0.435 0.000 1.159 524 Y CB -0.017 37.837 38.460 -1.009 0.000 1.008 524 Y HN 0.018 nan 8.280 nan 0.000 0.527 525 L N -1.804 119.388 121.223 -0.053 0.000 2.313 525 L HA -0.089 4.252 4.340 0.000 0.000 0.214 525 L C 0.383 176.975 176.870 -0.462 0.000 1.119 525 L CA 1.068 55.780 54.840 -0.214 0.000 0.809 525 L CB -0.182 41.519 42.059 -0.596 0.000 0.933 525 L HN 0.198 nan 8.230 nan 0.000 0.449 526 F N -1.917 117.994 119.950 -0.066 0.000 2.814 526 F HA 0.203 4.730 4.527 0.000 0.000 0.326 526 F C 1.427 176.905 175.800 -0.537 0.000 1.159 526 F CA -0.427 57.283 58.000 -0.483 0.000 1.234 526 F CB -0.412 38.316 39.000 -0.454 0.000 1.016 526 F HN -0.120 nan 8.300 nan 0.000 0.510 527 N N 1.120 119.752 118.700 -0.114 0.000 2.309 527 N HA -0.176 4.564 4.740 0.000 0.000 0.182 527 N C 1.988 177.491 175.510 -0.012 0.000 1.018 527 N CA 1.611 54.620 53.050 -0.068 0.000 0.876 527 N CB -0.127 38.354 38.487 -0.009 0.000 0.972 527 N HN 0.535 nan 8.380 nan 0.000 0.434 528 W N -0.351 121.002 121.300 0.088 0.000 2.425 528 W HA 0.120 4.780 4.660 0.000 0.000 0.277 528 W C 1.444 178.023 176.519 0.099 0.000 1.231 528 W CA 0.724 58.125 57.345 0.093 0.000 1.248 528 W CB -0.958 28.565 29.460 0.105 0.000 1.117 528 W HN 0.047 nan 8.180 nan 0.000 0.568 529 A N 1.532 124.018 122.820 -0.556 0.000 2.066 529 A HA 0.127 4.447 4.320 0.000 0.000 0.218 529 A C 1.169 178.650 177.584 -0.172 0.000 1.157 529 A CA 1.295 53.035 52.037 -0.495 0.000 0.670 529 A CB -0.934 17.527 19.000 -0.898 0.000 0.804 529 A HN 0.118 nan 8.150 nan 0.000 0.453 530 V N -3.397 116.436 119.914 -0.135 0.000 2.713 530 V HA 0.422 4.542 4.120 0.000 0.000 0.307 530 V C 0.757 176.836 176.094 -0.025 0.000 1.052 530 V CA -0.789 61.463 62.300 -0.079 0.000 0.967 530 V CB 1.452 33.216 31.823 -0.098 0.000 1.019 530 V HN 0.282 nan 8.190 nan 0.000 0.459 531 K N 0.598 120.987 120.400 -0.018 0.000 2.103 531 K HA 0.007 4.327 4.320 0.000 0.000 0.204 531 K C 1.041 177.632 176.600 -0.016 0.000 1.052 531 K CA 1.451 57.735 56.287 -0.005 0.000 0.945 531 K CB 0.001 32.499 32.500 -0.002 0.000 0.722 531 K HN 0.799 nan 8.250 nan 0.000 0.443 532 T N 2.284 116.821 114.554 -0.027 0.000 3.042 532 T HA 0.169 4.519 4.350 0.000 0.000 0.356 532 T C -1.107 173.568 174.700 -0.041 0.000 1.233 532 T CA -0.853 61.228 62.100 -0.031 0.000 1.038 532 T CB 0.052 68.902 68.868 -0.030 0.000 1.089 532 T HN -0.014 nan 8.240 nan 0.000 0.531 533 K N 4.058 124.436 120.400 -0.036 0.000 2.276 533 K HA 0.329 4.649 4.320 0.000 0.000 0.283 533 K C -0.067 176.497 176.600 -0.059 0.000 1.044 533 K CA -0.907 55.354 56.287 -0.043 0.000 0.944 533 K CB 0.984 33.474 32.500 -0.017 0.000 1.012 533 K HN 0.290 nan 8.250 nan 0.000 0.472 534 L N 2.392 123.560 121.223 -0.090 0.000 2.482 534 L HA 0.003 4.343 4.340 0.000 0.000 0.273 534 L C 0.464 177.264 176.870 -0.116 0.000 1.228 534 L CA 0.363 55.135 54.840 -0.114 0.000 0.827 534 L CB -0.014 41.946 42.059 -0.164 0.000 1.099 534 L HN 0.485 nan 8.230 nan 0.000 0.494 535 K N 2.171 122.507 120.400 -0.106 0.000 2.316 535 K HA 0.324 4.644 4.320 0.000 0.000 0.289 535 K C -1.148 175.386 176.600 -0.110 0.000 1.070 535 K CA 0.313 56.554 56.287 -0.077 0.000 0.928 535 K CB -0.132 32.340 32.500 -0.046 0.000 1.039 535 K HN 0.431 nan 8.250 nan 0.000 0.480 536 L N 5.315 126.495 121.223 -0.070 0.000 2.260 536 L HA 0.356 4.696 4.340 0.000 0.000 0.289 536 L C 0.126 177.060 176.870 0.107 0.000 1.057 536 L CA -0.567 54.250 54.840 -0.038 0.000 0.811 536 L CB 0.934 43.017 42.059 0.039 0.000 1.184 536 L HN 0.799 nan 8.230 nan 0.000 0.429 537 T N 0.759 115.425 114.554 0.187 0.000 2.893 537 T HA 0.549 4.899 4.350 0.000 0.000 0.291 537 T C -2.735 172.070 174.700 0.175 0.000 1.028 537 T CA -2.494 59.699 62.100 0.154 0.000 0.995 537 T CB 1.862 70.785 68.868 0.092 0.000 1.051 537 T HN 0.133 nan 8.240 nan 0.000 0.470 538 P HA 0.175 nan 4.420 nan 0.000 0.261 538 P C -0.550 176.746 177.300 -0.007 0.000 1.183 538 P CA 0.006 63.126 63.100 0.033 0.000 0.761 538 P CB -0.029 31.687 31.700 0.026 0.000 0.785 539 I N 6.786 127.300 120.570 -0.094 0.000 2.322 539 I HA 0.121 4.291 4.170 0.000 0.000 0.292 539 I C -1.213 174.860 176.117 -0.073 0.000 1.060 539 I CA -1.791 59.435 61.300 -0.123 0.000 1.309 539 I CB 0.920 38.751 38.000 -0.281 0.000 1.415 539 I HN 0.299 nan 8.210 nan 0.000 0.492 540 P HA -0.245 nan 4.420 nan 0.000 0.216 540 P C 1.395 178.674 177.300 -0.035 0.000 1.153 540 P CA 1.256 64.340 63.100 -0.027 0.000 0.858 540 P CB 0.247 31.939 31.700 -0.015 0.000 0.789 541 A N -0.865 121.930 122.820 -0.041 0.000 2.209 541 A HA 0.097 4.417 4.320 0.000 0.000 0.212 541 A C 2.151 179.703 177.584 -0.054 0.000 1.158 541 A CA 1.356 53.369 52.037 -0.040 0.000 0.742 541 A CB -1.221 17.760 19.000 -0.032 0.000 0.790 541 A HN 0.194 nan 8.150 nan 0.000 0.472 542 A N 0.635 123.414 122.820 -0.068 0.000 1.845 542 A HA -0.035 4.285 4.320 0.000 0.000 0.215 542 A C 1.842 179.378 177.584 -0.080 0.000 1.195 542 A CA 1.536 53.524 52.037 -0.081 0.000 0.616 542 A CB -1.016 17.934 19.000 -0.084 0.000 0.832 542 A HN 0.907 nan 8.150 nan 0.000 0.443 543 S N -0.779 114.883 115.700 -0.064 0.000 4.085 543 S HA 0.393 4.863 4.470 0.000 0.000 0.189 543 S C 0.208 174.777 174.600 -0.052 0.000 1.392 543 S CA 0.348 58.513 58.200 -0.060 0.000 0.972 543 S CB 0.284 63.458 63.200 -0.044 0.000 1.482 543 S HN 0.628 nan 8.310 nan 0.000 0.446 544 Q N -0.051 119.713 119.800 -0.060 0.000 1.842 544 Q HA 0.348 4.688 4.340 0.000 0.000 0.180 544 Q C -0.621 175.347 176.000 -0.054 0.000 0.751 544 Q CA -0.052 55.723 55.803 -0.047 0.000 0.861 544 Q CB 0.431 29.148 28.738 -0.035 0.000 1.223 544 Q HN 0.589 nan 8.270 nan 0.000 0.401 545 L N 1.485 122.658 121.223 -0.083 0.000 2.357 545 L HA 0.291 4.631 4.340 0.000 0.000 0.273 545 L C 0.015 176.812 176.870 -0.122 0.000 1.080 545 L CA -0.361 54.419 54.840 -0.100 0.000 0.803 545 L CB 0.941 42.913 42.059 -0.145 0.000 1.174 545 L HN 0.022 nan 8.230 nan 0.000 0.443 546 D N 3.010 123.358 120.400 -0.087 0.000 2.600 546 D HA 0.083 4.723 4.640 0.000 0.000 0.226 546 D C 0.439 176.651 176.300 -0.148 0.000 1.119 546 D CA 0.313 54.274 54.000 -0.065 0.000 1.051 546 D CB -0.021 40.785 40.800 0.010 0.000 1.106 546 D HN 0.329 nan 8.370 nan 0.000 0.491 547 L N 1.535 122.577 121.223 -0.301 0.000 2.805 547 L HA 0.119 4.460 4.340 0.000 0.000 0.237 547 L C 0.677 177.404 176.870 -0.237 0.000 1.252 547 L CA -0.325 54.146 54.840 -0.615 0.000 1.064 547 L CB -0.493 41.139 42.059 -0.712 0.000 1.361 547 L HN 0.218 nan 8.230 nan 0.000 0.474 548 S N -1.001 114.673 115.700 -0.044 0.000 2.499 548 S HA 0.595 5.065 4.470 0.000 0.000 0.279 548 S C 1.061 175.737 174.600 0.128 0.000 1.219 548 S CA 0.145 58.374 58.200 0.049 0.000 1.062 548 S CB 1.697 64.915 63.200 0.030 0.000 0.978 548 S HN 0.499 nan 8.310 nan 0.000 0.489 549 G N 2.280 111.157 108.800 0.129 0.000 2.176 549 G HA2 -0.239 3.721 3.960 0.000 0.000 0.253 549 G HA3 -0.239 3.721 3.960 0.000 0.000 0.253 549 G C 0.402 175.370 174.900 0.113 0.000 0.979 549 G CA 0.226 45.376 45.100 0.084 0.000 0.641 549 G HN 0.696 nan 8.290 nan 0.000 0.530 550 W N -0.029 121.169 121.300 -0.170 0.000 2.407 550 W HA 0.477 5.137 4.660 0.000 0.000 0.305 550 W C 1.107 177.227 176.519 -0.665 0.000 1.196 550 W CA 1.202 58.255 57.345 -0.486 0.000 1.311 550 W CB -0.149 28.915 29.460 -0.661 0.000 1.135 550 W HN 0.188 nan 8.180 nan 0.000 0.514 551 F N -0.506 119.611 119.950 0.279 0.000 2.449 551 F HA 0.329 4.856 4.527 0.000 0.000 0.329 551 F C 0.426 176.358 175.800 0.220 0.000 1.245 551 F CA -0.410 57.754 58.000 0.274 0.000 1.193 551 F CB 0.084 39.209 39.000 0.208 0.000 1.425 551 F HN -0.393 nan 8.300 nan 0.000 0.544 552 V N 0.074 120.180 119.914 0.319 0.000 3.054 552 V HA 0.601 4.721 4.120 0.000 0.000 0.227 552 V C 0.798 177.028 176.094 0.226 0.000 1.252 552 V CA 0.569 63.004 62.300 0.224 0.000 1.279 552 V CB 0.543 32.469 31.823 0.171 0.000 1.118 552 V HN 0.435 nan 8.190 nan 0.000 0.504 553 A N -0.613 122.288 122.820 0.135 0.000 2.532 553 A HA 0.833 5.153 4.320 0.000 0.000 0.290 553 A C -0.240 177.001 177.584 -0.573 0.000 1.143 553 A CA 0.047 51.998 52.037 -0.144 0.000 0.728 553 A CB 1.334 20.046 19.000 -0.480 0.000 1.317 553 A HN 0.447 nan 8.150 nan 0.000 0.414 554 G N -1.466 106.654 108.800 -1.134 0.000 2.389 554 G HA2 0.555 4.515 3.960 0.000 0.000 0.328 554 G HA3 0.555 4.515 3.960 0.000 0.000 0.328 554 G C -1.068 173.183 174.900 -1.082 0.000 1.133 554 G CA -0.138 44.027 45.100 -1.559 0.000 0.891 554 G HN 0.585 nan 8.290 nan 0.000 0.485 555 Y N 0.789 120.879 120.300 -0.350 0.000 2.777 555 Y HA 0.302 4.852 4.550 0.000 0.000 0.248 555 Y C 1.216 177.050 175.900 -0.109 0.000 1.127 555 Y CA -0.781 57.217 58.100 -0.170 0.000 1.149 555 Y CB 0.581 38.990 38.460 -0.085 0.000 1.230 555 Y HN 0.511 nan 8.280 nan 0.000 0.586 556 S N 0.791 116.473 115.700 -0.030 0.000 2.575 556 S HA 0.311 4.781 4.470 0.000 0.000 0.295 556 S C 1.500 176.129 174.600 0.047 0.000 1.267 556 S CA 1.464 59.678 58.200 0.023 0.000 1.074 556 S CB 0.119 63.336 63.200 0.028 0.000 0.829 556 S HN 1.084 nan 8.310 nan 0.000 0.497 557 G N 3.748 112.579 108.800 0.052 0.000 2.220 557 G HA2 -0.266 3.694 3.960 0.000 0.000 0.269 557 G HA3 -0.266 3.694 3.960 0.000 0.000 0.269 557 G C 0.975 175.914 174.900 0.065 0.000 0.977 557 G CA 0.525 45.660 45.100 0.057 0.000 0.634 557 G HN 1.375 nan 8.290 nan 0.000 0.539 558 G N 0.051 108.899 108.800 0.079 0.000 2.744 558 G HA2 0.306 4.266 3.960 0.000 0.000 0.211 558 G HA3 0.306 4.266 3.960 0.000 0.000 0.211 558 G C 0.560 175.503 174.900 0.072 0.000 1.143 558 G CA 1.195 46.361 45.100 0.110 0.000 0.788 558 G HN 1.447 nan 8.290 nan 0.000 0.534 559 D N -0.536 119.876 120.400 0.019 0.000 2.746 559 D HA -0.161 4.479 4.640 0.000 0.000 0.241 559 D C -0.141 176.120 176.300 -0.066 0.000 1.140 559 D CA 0.333 54.317 54.000 -0.027 0.000 0.707 559 D CB -1.259 39.533 40.800 -0.014 0.000 1.034 559 D HN 0.116 nan 8.370 nan 0.000 0.423 560 I N 1.193 121.695 120.570 -0.114 0.000 2.603 560 I HA 0.506 4.676 4.170 0.000 0.000 0.300 560 I C 0.044 175.982 176.117 -0.299 0.000 1.017 560 I CA -0.830 60.315 61.300 -0.259 0.000 1.098 560 I CB 1.454 39.200 38.000 -0.422 0.000 1.279 560 I HN 0.167 nan 8.210 nan 0.000 0.437 561 Y N 4.053 123.991 120.300 -0.603 0.000 2.576 561 Y HA 0.608 5.158 4.550 0.000 0.000 0.346 561 Y C -1.018 174.311 175.900 -0.951 0.000 1.018 561 Y CA -0.381 57.352 58.100 -0.611 0.000 1.050 561 Y CB 1.945 40.166 38.460 -0.399 0.000 1.280 561 Y HN 0.669 nan 8.280 nan 0.000 0.474 562 H N 0.000 118.277 119.070 -1.322 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.509 56.048 -0.898 0.000 1.023 562 H CB 0.000 29.367 29.762 -0.658 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496