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 2cqt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRYGHFDDAA REYVITTPHT PYPWINYLGS EQFFSLLSHQ AGGYSFYRDA DATA SEQUENCE KMRRLTRYRY NNIPADAGGR YLYVNDGGDV WTPSWLPVKA DLDHFEARHG DATA SEQUENCE LGYSRITGER NGLKVETLFF VPLGENAEVQ KVTVTNTSDA PKTATLFSFV DATA SEQUENCE EFCLWNAQDD QTNYQRNLSI GEVEVEQDGP HGSAIYHKTE YRERRDHYAV DATA SEQUENCE FGVNTRADGF DTDRDTFVGA YNSLGEASVP RAGKSADSVA SGWYPIGSHS DATA SEQUENCE VAVTLQPGES RDLVYVLGYL ENPDEEKWAD DAHQVVNKAP AHALLGRFAT DATA SEQUENCE SEQVDAALEA LNSYWTNLLS TYSVSSTDEK LDRMVNIWNQ YQCMVTFNMS DATA SEQUENCE RSASFFETGI GRGMGFRDSN QDLLGFVHLI PERARERIID IASTQFADGS DATA SEQUENCE AYHQYQPLTK RGNNDIGSGF NDDPLWLIAG VAAYIKESGD WGILDEPVPF DATA SEQUENCE DNEPGSEVPL FEHLTRSFQF TVQNRGPHGL PLIGRADWND CLNLNCFSTT DATA SEQUENCE PGESFQTTEN QAGGVAESVF IAAQFVLYGA EYATLAERRG LADVATEARK DATA SEQUENCE YVDEVRAAVL EHGWDGQWFL RAYDYYGNPV GTDAKPEGKI WIEPQGFAVM DATA SEQUENCE AGIGVGEGPD DADAPAVKAL DSVNEMLGTP HGLVLQYPAY TTYQIELGEV DATA SEQUENCE STYPPGYKEN GGIFCHNNPW VIIAETVVGR GAQAFDYYKR ITPAYREDIS DATA SEQUENCE DTHKLEPYVY AQMIAGKEAV RAGEAKNSWL TGTAAWNFVA VSQYLLGVRP DATA SEQUENCE DYDGLVVDPQ IGPDVPSYTV TRVARGATYE ITVTNSGAPG ARASLTVDGA DATA SEQUENCE PVDGRTVPYA PAGSTVRVEV TV 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.248 176.300 -0.086 0.000 1.140 1 M CA 0.000 55.259 55.300 -0.068 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.016 0.000 1.302 2 R N 1.806 122.188 120.500 -0.198 0.000 2.854 2 R HA 0.655 4.995 4.340 0.000 0.000 0.271 2 R C -0.746 175.359 176.300 -0.325 0.000 0.994 2 R CA -0.459 55.587 56.100 -0.089 0.000 0.945 2 R CB 1.886 32.219 30.300 0.056 0.000 1.194 2 R HN 0.594 nan 8.270 nan 0.000 0.476 3 Y N -0.680 119.748 120.300 0.213 0.000 2.612 3 Y HA 0.477 5.028 4.550 0.000 0.000 0.250 3 Y C 0.828 176.824 175.900 0.159 0.000 1.175 3 Y CA -0.077 58.102 58.100 0.132 0.000 1.205 3 Y CB 1.829 40.286 38.460 -0.005 0.000 1.201 3 Y HN 0.826 nan 8.280 nan 0.000 0.532 4 G N -0.396 108.557 108.800 0.253 0.000 2.356 4 G HA2 0.445 4.406 3.960 0.000 0.000 0.281 4 G HA3 0.445 4.406 3.960 0.000 0.000 0.281 4 G C -1.921 172.905 174.900 -0.123 0.000 1.246 4 G CA -0.542 44.551 45.100 -0.011 0.000 0.889 4 G HN 0.295 nan 8.290 nan 0.000 0.486 5 H N -2.275 116.409 119.070 -0.643 0.000 2.987 5 H HA 0.680 5.236 4.556 0.000 0.000 0.316 5 H C -1.802 173.043 175.328 -0.806 0.000 1.380 5 H CA -1.195 54.549 56.048 -0.507 0.000 1.160 5 H CB 0.507 30.160 29.762 -0.182 0.000 1.865 5 H HN 0.465 nan 8.280 nan 0.000 0.521 6 F N 0.773 120.662 119.950 -0.102 0.000 2.399 6 F HA 0.265 4.792 4.527 0.000 0.000 0.342 6 F C 0.518 176.385 175.800 0.112 0.000 1.106 6 F CA 0.096 58.086 58.000 -0.018 0.000 1.196 6 F CB 1.042 40.102 39.000 0.101 0.000 1.163 6 F HN 0.627 nan 8.300 nan 0.000 0.547 7 D N 3.107 123.690 120.400 0.305 0.000 2.432 7 D HA 0.123 4.763 4.640 0.000 0.000 0.265 7 D C 0.267 176.718 176.300 0.251 0.000 1.160 7 D CA -0.233 53.910 54.000 0.238 0.000 0.911 7 D CB 0.465 41.359 40.800 0.156 0.000 1.052 7 D HN 0.456 nan 8.370 nan 0.000 0.508 8 D N 2.217 122.754 120.400 0.228 0.000 2.104 8 D HA -0.158 4.482 4.640 0.000 0.000 0.194 8 D C 1.914 178.286 176.300 0.120 0.000 0.994 8 D CA 1.226 55.337 54.000 0.184 0.000 0.830 8 D CB -0.007 40.868 40.800 0.125 0.000 0.959 8 D HN 0.537 nan 8.370 nan 0.000 0.452 9 A N 0.838 123.716 122.820 0.098 0.000 1.940 9 A HA -0.057 4.264 4.320 0.000 0.000 0.219 9 A C 2.183 179.810 177.584 0.071 0.000 1.176 9 A CA 2.186 54.265 52.037 0.070 0.000 0.631 9 A CB -0.469 18.566 19.000 0.059 0.000 0.814 9 A HN 0.257 nan 8.150 nan 0.000 0.446 10 A N -1.853 121.022 122.820 0.092 0.000 2.238 10 A HA 0.335 4.655 4.320 0.000 0.000 0.210 10 A C 1.018 178.657 177.584 0.092 0.000 1.179 10 A CA 0.353 52.448 52.037 0.096 0.000 0.827 10 A CB -0.194 18.871 19.000 0.108 0.000 0.856 10 A HN 0.466 nan 8.150 nan 0.000 0.488 11 R N -0.103 120.445 120.500 0.081 0.000 3.267 11 R HA -0.160 4.180 4.340 0.000 0.000 0.254 11 R C -1.137 175.186 176.300 0.038 0.000 0.993 11 R CA 1.234 57.325 56.100 -0.015 0.000 0.670 11 R CB -2.072 28.117 30.300 -0.186 0.000 1.125 11 R HN 0.781 nan 8.270 nan 0.000 0.434 12 E N -0.358 120.022 120.200 0.301 0.000 2.429 12 E HA 0.371 4.721 4.350 0.000 0.000 0.276 12 E C -1.458 175.355 176.600 0.356 0.000 0.953 12 E CA -1.018 55.578 56.400 0.326 0.000 0.787 12 E CB 1.595 31.365 29.700 0.116 0.000 1.307 12 E HN 0.157 nan 8.360 nan 0.000 0.458 13 Y N 1.003 121.286 120.300 -0.028 0.000 2.328 13 Y HA 0.379 4.929 4.550 0.000 0.000 0.337 13 Y C -1.143 174.561 175.900 -0.326 0.000 0.966 13 Y CA -0.747 57.106 58.100 -0.411 0.000 1.136 13 Y CB 1.121 39.022 38.460 -0.932 0.000 1.170 13 Y HN 0.245 nan 8.280 nan 0.000 0.470 14 V N 8.258 127.570 119.914 -1.002 0.000 2.364 14 V HA 0.309 4.429 4.120 0.000 0.000 0.272 14 V C -0.006 175.681 176.094 -0.679 0.000 1.036 14 V CA -0.636 61.221 62.300 -0.739 0.000 0.880 14 V CB 0.767 32.084 31.823 -0.844 0.000 0.991 14 V HN 0.627 nan 8.190 nan 0.000 0.460 15 I N 4.808 125.224 120.570 -0.257 0.000 2.304 15 I HA 0.231 4.401 4.170 0.000 0.000 0.291 15 I C 1.319 177.431 176.117 -0.008 0.000 1.018 15 I CA -0.126 61.172 61.300 -0.004 0.000 1.260 15 I CB 1.760 39.847 38.000 0.144 0.000 1.390 15 I HN 0.754 nan 8.210 nan 0.000 0.475 16 T N -0.106 114.468 114.554 0.034 0.000 3.144 16 T HA 0.085 4.435 4.350 0.000 0.000 0.249 16 T C 0.509 175.318 174.700 0.181 0.000 1.089 16 T CA -0.199 61.944 62.100 0.071 0.000 0.989 16 T CB -0.030 68.873 68.868 0.058 0.000 0.992 16 T HN 0.606 nan 8.240 nan 0.000 0.540 17 T N 1.367 116.060 114.554 0.232 0.000 2.932 17 T HA 0.462 4.812 4.350 0.000 0.000 0.318 17 T C -2.585 172.059 174.700 -0.093 0.000 1.265 17 T CA -1.492 60.658 62.100 0.082 0.000 1.036 17 T CB 2.306 71.169 68.868 -0.008 0.000 1.209 17 T HN -0.238 nan 8.240 nan 0.000 0.484 18 P HA 0.101 nan 4.420 nan 0.000 0.240 18 P C 0.122 177.144 177.300 -0.463 0.000 1.190 18 P CA 0.505 63.126 63.100 -0.799 0.000 0.781 18 P CB -0.248 30.544 31.700 -1.513 0.000 0.931 19 H N 0.866 119.721 119.070 -0.359 0.000 2.768 19 H HA 0.162 4.719 4.556 0.000 0.000 0.219 19 H C 0.833 176.003 175.328 -0.264 0.000 1.898 19 H CA -0.452 55.435 56.048 -0.268 0.000 1.313 19 H CB -0.592 29.023 29.762 -0.244 0.000 1.701 19 H HN 0.120 nan 8.280 nan 0.000 0.534 20 T N -2.093 112.234 114.554 -0.379 0.000 2.816 20 T HA 0.098 4.448 4.350 0.000 0.000 0.282 20 T C -1.363 172.909 174.700 -0.713 0.000 0.993 20 T CA -1.997 59.519 62.100 -0.975 0.000 0.994 20 T CB 1.379 69.291 68.868 -1.593 0.000 1.025 20 T HN 0.067 nan 8.240 nan 0.000 0.529 21 P HA 0.124 nan 4.420 nan 0.000 0.223 21 P C -0.680 176.634 177.300 0.023 0.000 1.151 21 P CA 0.890 63.828 63.100 -0.271 0.000 0.787 21 P CB -0.032 31.578 31.700 -0.151 0.000 0.788 22 Y N -2.902 117.254 120.300 -0.239 0.000 2.641 22 Y HA 0.374 4.924 4.550 0.000 0.000 0.333 22 Y C -2.862 173.027 175.900 -0.018 0.000 1.174 22 Y CA -2.763 55.340 58.100 0.004 0.000 1.057 22 Y CB 1.100 39.683 38.460 0.206 0.000 1.322 22 Y HN -0.335 nan 8.280 nan 0.000 0.457 23 P HA 0.004 nan 4.420 nan 0.000 0.263 23 P C -1.304 176.271 177.300 0.459 0.000 1.195 23 P CA 0.635 63.840 63.100 0.174 0.000 0.762 23 P CB 0.211 32.019 31.700 0.181 0.000 0.799 24 W N 5.482 126.941 121.300 0.265 0.000 2.329 24 W HA 0.432 5.092 4.660 0.000 0.000 0.312 24 W C 0.377 177.089 176.519 0.322 0.000 1.054 24 W CA -0.741 56.741 57.345 0.228 0.000 1.245 24 W CB 0.153 29.703 29.460 0.149 0.000 1.255 24 W HN 0.244 nan 8.180 nan 0.000 0.436 25 I N 1.124 121.877 120.570 0.305 0.000 2.947 25 I HA 0.690 4.860 4.170 0.000 0.000 0.314 25 I C -0.541 175.502 176.117 -0.122 0.000 1.028 25 I CA -0.852 60.382 61.300 -0.110 0.000 1.077 25 I CB 2.178 39.727 38.000 -0.751 0.000 1.274 25 I HN 0.227 nan 8.210 nan 0.000 0.485 26 N N 1.054 119.408 118.700 -0.578 0.000 2.357 26 N HA 0.485 5.225 4.740 0.000 0.000 0.284 26 N C -2.085 173.091 175.510 -0.557 0.000 1.236 26 N CA -0.556 52.241 53.050 -0.420 0.000 0.774 26 N CB 1.692 39.828 38.487 -0.585 0.000 1.534 26 N HN 0.628 nan 8.380 nan 0.000 0.478 27 Y N 0.902 120.918 120.300 -0.474 0.000 2.341 27 Y HA 0.511 5.061 4.550 0.000 0.000 0.337 27 Y C -0.176 175.676 175.900 -0.080 0.000 1.014 27 Y CA -0.694 57.175 58.100 -0.385 0.000 1.111 27 Y CB 1.379 39.512 38.460 -0.544 0.000 1.194 27 Y HN 0.232 nan 8.280 nan 0.000 0.462 28 L N 3.044 124.325 121.223 0.097 0.000 2.325 28 L HA 0.869 5.209 4.340 0.000 0.000 0.278 28 L C 0.285 177.258 176.870 0.173 0.000 1.023 28 L CA -0.929 54.019 54.840 0.179 0.000 0.811 28 L CB 1.621 43.766 42.059 0.143 0.000 1.249 28 L HN 0.866 nan 8.230 nan 0.000 0.431 29 G N 1.423 110.335 108.800 0.187 0.000 2.719 29 G HA2 -0.057 3.903 3.960 0.000 0.000 0.686 29 G HA3 -0.057 3.903 3.960 0.000 0.000 0.686 29 G C -0.093 174.881 174.900 0.123 0.000 1.201 29 G CA -0.149 44.939 45.100 -0.020 0.000 0.768 29 G HN 0.937 nan 8.290 nan 0.000 0.629 30 S N -0.636 115.094 115.700 0.051 0.000 2.911 30 S HA 0.402 4.872 4.470 0.000 0.000 0.261 30 S C 0.645 175.392 174.600 0.245 0.000 1.021 30 S CA 0.812 59.215 58.200 0.339 0.000 1.222 30 S CB 0.600 64.056 63.200 0.427 0.000 1.171 30 S HN 0.757 nan 8.310 nan 0.000 0.669 31 E N 1.408 121.569 120.200 -0.065 0.000 2.694 31 E HA 0.299 4.649 4.350 0.000 0.000 0.224 31 E C 1.152 177.755 176.600 0.005 0.000 1.068 31 E CA -0.082 56.332 56.400 0.024 0.000 1.043 31 E CB 0.148 29.832 29.700 -0.026 0.000 2.367 31 E HN 0.290 nan 8.360 nan 0.000 0.565 32 Q N -0.735 118.965 119.800 -0.167 0.000 2.288 32 Q HA 0.227 4.567 4.340 0.000 0.000 0.256 32 Q C -0.516 175.339 176.000 -0.242 0.000 0.835 32 Q CA -0.169 55.573 55.803 -0.101 0.000 0.958 32 Q CB 1.197 29.907 28.738 -0.047 0.000 1.125 32 Q HN 0.085 nan 8.270 nan 0.000 0.513 33 F N 0.834 120.415 119.950 -0.615 0.000 2.458 33 F HA 0.502 5.029 4.527 0.000 0.000 0.336 33 F C -1.181 174.009 175.800 -1.016 0.000 1.114 33 F CA -0.945 56.749 58.000 -0.510 0.000 0.987 33 F CB 0.850 39.731 39.000 -0.199 0.000 1.130 33 F HN -0.231 nan 8.300 nan 0.000 0.458 34 F N 2.493 121.906 119.950 -0.895 0.000 2.576 34 F HA 0.617 5.144 4.527 0.000 0.000 0.313 34 F C -0.379 174.890 175.800 -0.885 0.000 1.078 34 F CA -0.814 56.719 58.000 -0.778 0.000 0.921 34 F CB 2.374 40.845 39.000 -0.882 0.000 1.232 34 F HN 0.220 nan 8.300 nan 0.000 0.459 35 S N 2.256 117.780 115.700 -0.294 0.000 2.557 35 S HA 0.665 5.135 4.470 0.000 0.000 0.291 35 S C -1.340 173.026 174.600 -0.389 0.000 1.116 35 S CA -0.534 57.483 58.200 -0.306 0.000 0.992 35 S CB 1.586 64.718 63.200 -0.114 0.000 1.028 35 S HN 0.336 nan 8.310 nan 0.000 0.484 36 L N 3.242 124.131 121.223 -0.556 0.000 2.257 36 L HA 0.569 4.909 4.340 0.000 0.000 0.290 36 L C -0.788 175.755 176.870 -0.545 0.000 1.044 36 L CA -0.176 54.210 54.840 -0.757 0.000 0.810 36 L CB 0.926 42.489 42.059 -0.827 0.000 1.193 36 L HN 0.543 nan 8.230 nan 0.000 0.425 37 L N 3.753 124.657 121.223 -0.531 0.000 2.343 37 L HA 0.633 4.974 4.340 0.000 0.000 0.278 37 L C 0.260 176.948 176.870 -0.302 0.000 0.996 37 L CA 0.029 54.644 54.840 -0.375 0.000 0.831 37 L CB 1.648 43.514 42.059 -0.323 0.000 1.232 37 L HN 0.677 nan 8.230 nan 0.000 0.413 38 S N 2.536 118.133 115.700 -0.171 0.000 2.669 38 S HA 0.256 4.726 4.470 0.000 0.000 0.270 38 S C 1.159 175.903 174.600 0.240 0.000 1.225 38 S CA 0.053 58.271 58.200 0.030 0.000 0.991 38 S CB 0.556 63.815 63.200 0.098 0.000 0.987 38 S HN 0.822 nan 8.310 nan 0.000 0.552 39 H N 0.131 119.376 119.070 0.292 0.000 2.567 39 H HA 0.122 4.678 4.556 0.000 0.000 0.276 39 H C 0.093 175.573 175.328 0.253 0.000 1.016 39 H CA 0.438 56.620 56.048 0.224 0.000 1.186 39 H CB -0.180 29.699 29.762 0.195 0.000 1.351 39 H HN 0.600 nan 8.280 nan 0.000 0.605 40 Q N 0.123 119.808 119.800 -0.191 0.000 2.135 40 Q HA 0.391 4.731 4.340 0.000 0.000 0.231 40 Q C 0.752 176.803 176.000 0.084 0.000 0.817 40 Q CA 0.227 55.974 55.803 -0.093 0.000 1.073 40 Q CB 0.986 29.602 28.738 -0.204 0.000 1.176 40 Q HN 0.614 nan 8.270 nan 0.000 0.478 41 A N -0.302 122.518 122.820 -0.000 0.000 2.899 41 A HA -0.165 4.155 4.320 0.000 0.000 0.257 41 A C 0.861 178.375 177.584 -0.116 0.000 1.335 41 A CA 0.942 52.900 52.037 -0.132 0.000 0.924 41 A CB -1.973 17.067 19.000 0.066 0.000 1.105 41 A HN 0.450 nan 8.150 nan 0.000 0.765 42 G N -2.363 106.435 108.800 -0.003 0.000 2.537 42 G HA2 0.782 4.742 3.960 0.000 0.000 0.273 42 G HA3 0.782 4.742 3.960 0.000 0.000 0.273 42 G C 0.878 175.793 174.900 0.025 0.000 1.189 42 G CA 0.888 46.035 45.100 0.079 0.000 0.881 42 G HN 2.428 nan 8.290 nan 0.000 0.535 43 G N -0.870 107.901 108.800 -0.048 0.000 2.306 43 G HA2 0.479 4.439 3.960 0.000 0.000 0.262 43 G HA3 0.479 4.439 3.960 0.000 0.000 0.262 43 G C -0.773 174.092 174.900 -0.057 0.000 1.263 43 G CA 0.172 45.053 45.100 -0.364 0.000 1.088 43 G HN 2.072 nan 8.290 nan 0.000 0.489 44 Y N -2.705 117.467 120.300 -0.213 0.000 2.788 44 Y HA 0.846 5.396 4.550 0.000 0.000 0.335 44 Y C -0.296 175.572 175.900 -0.053 0.000 1.287 44 Y CA -0.648 57.400 58.100 -0.085 0.000 1.068 44 Y CB 0.825 39.283 38.460 -0.004 0.000 1.340 44 Y HN 1.037 nan 8.280 nan 0.000 0.449 45 S N 0.952 116.751 115.700 0.165 0.000 2.570 45 S HA 0.845 5.315 4.470 0.000 0.000 0.286 45 S C -1.567 173.085 174.600 0.086 0.000 1.099 45 S CA -0.734 57.414 58.200 -0.087 0.000 0.913 45 S CB 1.755 64.890 63.200 -0.107 0.000 1.085 45 S HN 0.839 nan 8.310 nan 0.000 0.480 46 F N -0.456 119.321 119.950 -0.289 0.000 2.668 46 F HA 0.681 5.208 4.527 0.000 0.000 0.309 46 F C -1.712 173.925 175.800 -0.272 0.000 1.117 46 F CA -1.407 56.524 58.000 -0.114 0.000 0.951 46 F CB 0.881 39.931 39.000 0.082 0.000 1.323 46 F HN 0.539 nan 8.300 nan 0.000 0.451 47 Y N 3.651 123.950 120.300 -0.001 0.000 2.417 47 Y HA 0.550 5.100 4.550 0.000 0.000 0.336 47 Y C 1.009 176.949 175.900 0.066 0.000 0.961 47 Y CA -0.768 57.240 58.100 -0.153 0.000 1.215 47 Y CB 0.782 38.850 38.460 -0.653 0.000 1.120 47 Y HN 0.840 nan 8.280 nan 0.000 0.499 48 R N 1.134 121.483 120.500 -0.251 0.000 3.793 48 R HA -0.279 4.061 4.340 0.000 0.000 0.318 48 R C -0.663 175.694 176.300 0.094 0.000 0.729 48 R CA 2.074 58.083 56.100 -0.151 0.000 1.731 48 R CB -1.107 28.874 30.300 -0.530 0.000 1.879 48 R HN 0.661 nan 8.270 nan 0.000 0.498 49 D N -1.210 119.270 120.400 0.133 0.000 2.686 49 D HA 0.444 5.084 4.640 0.000 0.000 0.249 49 D C 0.317 176.524 176.300 -0.156 0.000 1.260 49 D CA 0.597 54.585 54.000 -0.020 0.000 0.910 49 D CB 1.646 42.434 40.800 -0.020 0.000 1.323 49 D HN 0.206 nan 8.370 nan 0.000 0.561 50 A N 4.161 126.558 122.820 -0.705 0.000 2.067 50 A HA -0.124 4.196 4.320 0.000 0.000 0.219 50 A C 1.839 179.259 177.584 -0.274 0.000 1.158 50 A CA 1.097 52.589 52.037 -0.909 0.000 0.661 50 A CB -0.034 18.268 19.000 -1.163 0.000 0.801 50 A HN 0.529 nan 8.150 nan 0.000 0.452 51 K N -1.287 119.009 120.400 -0.173 0.000 2.242 51 K HA 0.178 4.498 4.320 0.000 0.000 0.200 51 K C 1.584 178.196 176.600 0.020 0.000 1.050 51 K CA 0.743 56.989 56.287 -0.068 0.000 0.981 51 K CB -0.039 32.420 32.500 -0.068 0.000 0.795 51 K HN 0.478 nan 8.250 nan 0.000 0.477 52 M N -0.225 119.404 119.600 0.048 0.000 2.514 52 M HA 0.155 4.635 4.480 0.000 0.000 0.258 52 M C 0.350 176.794 176.300 0.241 0.000 1.159 52 M CA 0.240 55.614 55.300 0.122 0.000 1.116 52 M CB 0.923 33.569 32.600 0.077 0.000 1.333 52 M HN -0.178 nan 8.290 nan 0.000 0.487 53 R N 0.947 121.613 120.500 0.278 0.000 2.718 53 R HA 0.306 4.646 4.340 0.000 0.000 0.307 53 R C -0.752 175.882 176.300 0.556 0.000 1.244 53 R CA -0.143 56.253 56.100 0.492 0.000 1.348 53 R CB 0.234 30.720 30.300 0.310 0.000 1.304 53 R HN 0.199 nan 8.270 nan 0.000 0.663 54 R N 1.835 122.588 120.500 0.421 0.000 2.248 54 R HA 0.221 4.561 4.340 0.000 0.000 0.328 54 R C 1.144 177.535 176.300 0.152 0.000 1.067 54 R CA -0.201 56.086 56.100 0.311 0.000 0.924 54 R CB 0.521 30.908 30.300 0.145 0.000 1.013 54 R HN 0.186 nan 8.270 nan 0.000 0.454 55 L N 2.468 123.794 121.223 0.171 0.000 2.072 55 L HA -0.018 4.322 4.340 0.000 0.000 0.205 55 L C 1.070 177.948 176.870 0.013 0.000 1.079 55 L CA 1.242 56.076 54.840 -0.010 0.000 0.752 55 L CB -0.734 41.475 42.059 0.250 0.000 0.906 55 L HN 0.668 nan 8.230 nan 0.000 0.436 56 T N -2.165 112.432 114.554 0.071 0.000 2.908 56 T HA 0.454 4.804 4.350 0.000 0.000 0.290 56 T C -0.256 174.433 174.700 -0.019 0.000 1.034 56 T CA -0.827 61.266 62.100 -0.012 0.000 1.010 56 T CB 2.796 71.620 68.868 -0.074 0.000 1.068 56 T HN 0.038 nan 8.240 nan 0.000 0.481 57 R N 1.027 121.478 120.500 -0.082 0.000 2.357 57 R HA 0.475 4.815 4.340 0.000 0.000 0.296 57 R C -1.629 174.650 176.300 -0.035 0.000 1.052 57 R CA -0.638 55.412 56.100 -0.084 0.000 0.988 57 R CB 0.487 30.738 30.300 -0.081 0.000 1.025 57 R HN 0.799 nan 8.270 nan 0.000 0.469 58 Y N 2.954 123.106 120.300 -0.246 0.000 2.421 58 Y HA 0.374 4.924 4.550 0.000 0.000 0.339 58 Y C -1.143 174.596 175.900 -0.267 0.000 0.996 58 Y CA -0.972 56.975 58.100 -0.255 0.000 1.046 58 Y CB 1.524 39.847 38.460 -0.229 0.000 1.226 58 Y HN 0.553 nan 8.280 nan 0.000 0.445 59 R N 5.442 125.376 120.500 -0.944 0.000 2.229 59 R HA 0.302 4.642 4.340 0.000 0.000 0.332 59 R C -1.448 174.357 176.300 -0.826 0.000 0.989 59 R CA -0.642 55.075 56.100 -0.638 0.000 0.842 59 R CB 0.886 30.934 30.300 -0.420 0.000 1.119 59 R HN 0.612 nan 8.270 nan 0.000 0.456 60 Y N 1.706 121.760 120.300 -0.410 0.000 2.301 60 Y HA -0.043 4.507 4.550 0.000 0.000 0.328 60 Y C 1.188 176.963 175.900 -0.209 0.000 1.242 60 Y CA 0.041 57.983 58.100 -0.263 0.000 1.323 60 Y CB 0.635 39.034 38.460 -0.101 0.000 1.266 60 Y HN 0.663 nan 8.280 nan 0.000 0.527 61 N N 1.938 120.633 118.700 -0.009 0.000 2.705 61 N HA -0.285 4.455 4.740 0.000 0.000 0.255 61 N C -1.143 174.323 175.510 -0.073 0.000 1.008 61 N CA 0.434 53.476 53.050 -0.014 0.000 0.742 61 N CB -1.100 37.407 38.487 0.034 0.000 0.906 61 N HN 0.770 nan 8.380 nan 0.000 0.541 62 N N -0.038 118.572 118.700 -0.150 0.000 2.458 62 N HA 0.626 5.366 4.740 0.000 0.000 0.271 62 N C -0.331 175.116 175.510 -0.106 0.000 1.210 62 N CA -0.377 52.579 53.050 -0.156 0.000 0.978 62 N CB 0.629 38.968 38.487 -0.246 0.000 1.206 62 N HN 0.285 nan 8.380 nan 0.000 0.536 63 I N 2.064 122.579 120.570 -0.090 0.000 2.448 63 I HA 0.332 4.502 4.170 0.000 0.000 0.281 63 I C -1.915 174.158 176.117 -0.072 0.000 1.027 63 I CA -1.580 59.681 61.300 -0.065 0.000 1.111 63 I CB 1.450 39.422 38.000 -0.047 0.000 1.236 63 I HN 0.508 nan 8.210 nan 0.000 0.452 64 P HA 0.401 nan 4.420 nan 0.000 0.276 64 P C -0.321 176.927 177.300 -0.087 0.000 1.261 64 P CA -0.446 62.617 63.100 -0.061 0.000 0.800 64 P CB 0.993 32.665 31.700 -0.047 0.000 1.066 65 A N 0.560 123.327 122.820 -0.087 0.000 2.520 65 A HA 0.119 4.439 4.320 0.000 0.000 0.235 65 A C 0.682 178.195 177.584 -0.118 0.000 1.065 65 A CA 0.737 52.690 52.037 -0.139 0.000 0.764 65 A CB -1.035 17.849 19.000 -0.195 0.000 1.002 65 A HN 0.764 nan 8.150 nan 0.000 0.502 66 D N -0.820 119.493 120.400 -0.144 0.000 2.772 66 D HA -0.146 4.494 4.640 0.000 0.000 0.233 66 D C 0.174 176.492 176.300 0.030 0.000 1.143 66 D CA 1.383 55.382 54.000 -0.001 0.000 0.700 66 D CB -1.180 39.696 40.800 0.126 0.000 1.076 66 D HN 1.082 nan 8.370 nan 0.000 0.430 67 A N 0.855 123.643 122.820 -0.053 0.000 2.774 67 A HA 0.669 4.989 4.320 0.000 0.000 0.326 67 A C 0.829 178.453 177.584 0.068 0.000 1.478 67 A CA 0.531 52.581 52.037 0.021 0.000 1.099 67 A CB 0.356 19.322 19.000 -0.056 0.000 1.148 67 A HN 0.991 nan 8.150 nan 0.000 0.519 68 G N 0.055 108.984 108.800 0.215 0.000 2.158 68 G HA2 0.600 4.560 3.960 0.000 0.000 0.238 68 G HA3 0.600 4.560 3.960 0.000 0.000 0.238 68 G C -0.317 174.508 174.900 -0.126 0.000 1.723 68 G CA 0.130 45.278 45.100 0.080 0.000 0.911 68 G HN 1.964 nan 8.290 nan 0.000 0.741 69 G N 0.583 109.035 108.800 -0.581 0.000 2.441 69 G HA2 0.582 4.542 3.960 0.000 0.000 0.225 69 G HA3 0.582 4.542 3.960 0.000 0.000 0.225 69 G C -1.369 173.143 174.900 -0.647 0.000 1.200 69 G CA -0.853 43.950 45.100 -0.496 0.000 0.947 69 G HN 0.805 nan 8.290 nan 0.000 0.484 70 R N 0.478 120.743 120.500 -0.392 0.000 2.248 70 R HA 0.608 4.948 4.340 0.000 0.000 0.337 70 R C -1.247 175.052 176.300 -0.002 0.000 1.106 70 R CA -0.076 55.948 56.100 -0.127 0.000 0.959 70 R CB -0.069 30.344 30.300 0.188 0.000 1.075 70 R HN 0.372 nan 8.270 nan 0.000 0.480 71 Y N 1.852 122.246 120.300 0.157 0.000 2.457 71 Y HA 0.548 5.098 4.550 0.000 0.000 0.333 71 Y C -0.286 175.625 175.900 0.018 0.000 1.119 71 Y CA -1.761 56.353 58.100 0.023 0.000 1.143 71 Y CB 1.426 39.792 38.460 -0.158 0.000 1.230 71 Y HN 0.295 nan 8.280 nan 0.000 0.469 72 L N 3.062 124.333 121.223 0.080 0.000 2.442 72 L HA 0.466 4.806 4.340 0.000 0.000 0.261 72 L C -1.841 174.987 176.870 -0.070 0.000 1.000 72 L CA -0.654 54.214 54.840 0.047 0.000 0.882 72 L CB 0.040 42.088 42.059 -0.018 0.000 1.207 72 L HN 0.458 nan 8.230 nan 0.000 0.443 73 Y N 3.446 123.812 120.300 0.110 0.000 2.377 73 Y HA 0.420 4.970 4.550 0.000 0.000 0.330 73 Y C 0.352 176.244 175.900 -0.013 0.000 1.108 73 Y CA -0.209 57.900 58.100 0.015 0.000 1.308 73 Y CB 1.015 39.522 38.460 0.078 0.000 1.216 73 Y HN 0.236 nan 8.280 nan 0.000 0.518 74 V N 4.509 124.301 119.914 -0.202 0.000 2.370 74 V HA 0.206 4.326 4.120 0.000 0.000 0.283 74 V C -0.291 175.743 176.094 -0.101 0.000 1.023 74 V CA -1.060 61.045 62.300 -0.324 0.000 0.857 74 V CB 1.293 32.473 31.823 -1.072 0.000 0.985 74 V HN 0.721 nan 8.190 nan 0.000 0.443 75 N N 3.723 122.500 118.700 0.128 0.000 2.501 75 N HA 0.180 4.920 4.740 0.000 0.000 0.245 75 N C -1.321 174.291 175.510 0.170 0.000 0.974 75 N CA -0.260 52.899 53.050 0.181 0.000 0.941 75 N CB 1.508 40.162 38.487 0.277 0.000 1.122 75 N HN 0.681 nan 8.380 nan 0.000 0.507 76 D N 2.632 123.159 120.400 0.212 0.000 2.472 76 D HA 0.338 4.978 4.640 0.000 0.000 0.234 76 D C 0.739 177.131 176.300 0.154 0.000 1.088 76 D CA -0.123 54.001 54.000 0.207 0.000 0.882 76 D CB -0.008 40.978 40.800 0.310 0.000 1.037 76 D HN 0.779 nan 8.370 nan 0.000 0.520 77 G N 2.656 111.524 108.800 0.115 0.000 2.305 77 G HA2 -0.104 3.856 3.960 0.000 0.000 0.287 77 G HA3 -0.104 3.856 3.960 0.000 0.000 0.287 77 G C 1.100 176.046 174.900 0.077 0.000 1.036 77 G CA 0.612 45.762 45.100 0.085 0.000 0.887 77 G HN 1.467 nan 8.290 nan 0.000 0.505 78 G N -1.054 107.796 108.800 0.083 0.000 2.234 78 G HA2 -0.185 3.775 3.960 0.000 0.000 0.235 78 G HA3 -0.185 3.775 3.960 0.000 0.000 0.235 78 G C 0.204 175.148 174.900 0.072 0.000 0.997 78 G CA 0.863 45.999 45.100 0.060 0.000 0.623 78 G HN 1.537 nan 8.290 nan 0.000 0.514 79 D N 0.802 121.271 120.400 0.115 0.000 2.295 79 D HA 0.500 5.140 4.640 0.000 0.000 0.248 79 D C 0.210 176.650 176.300 0.233 0.000 1.154 79 D CA -0.205 53.887 54.000 0.153 0.000 0.857 79 D CB 1.320 42.219 40.800 0.165 0.000 1.117 79 D HN 0.200 nan 8.370 nan 0.000 0.468 80 V N 6.371 126.399 119.914 0.189 0.000 2.417 80 V HA 0.611 4.731 4.120 0.000 0.000 0.291 80 V C -0.377 175.883 176.094 0.277 0.000 1.024 80 V CA -0.632 61.775 62.300 0.178 0.000 0.861 80 V CB 0.908 32.765 31.823 0.056 0.000 0.985 80 V HN 0.624 nan 8.190 nan 0.000 0.436 81 W N 3.006 124.340 121.300 0.057 0.000 3.074 81 W HA 0.742 5.402 4.660 0.000 0.000 0.332 81 W C -1.168 175.345 176.519 -0.010 0.000 1.253 81 W CA -0.961 56.389 57.345 0.007 0.000 1.180 81 W CB 1.303 30.781 29.460 0.030 0.000 1.445 81 W HN 0.548 nan 8.180 nan 0.000 0.573 82 T N -1.102 113.510 114.554 0.097 0.000 2.848 82 T HA 0.364 4.714 4.350 0.000 0.000 0.285 82 T C -1.601 173.236 174.700 0.229 0.000 0.995 82 T CA -1.748 60.278 62.100 -0.123 0.000 0.970 82 T CB 2.605 71.246 68.868 -0.379 0.000 0.976 82 T HN 0.256 nan 8.240 nan 0.000 0.441 83 P HA -0.108 nan 4.420 nan 0.000 0.222 83 P C 1.246 178.835 177.300 0.481 0.000 1.147 83 P CA 0.794 64.180 63.100 0.477 0.000 0.790 83 P CB -0.012 31.881 31.700 0.322 0.000 0.780 84 S N -4.493 111.414 115.700 0.345 0.000 2.631 84 S HA 0.045 4.515 4.470 0.000 0.000 0.217 84 S C 1.046 175.806 174.600 0.267 0.000 0.958 84 S CA -0.216 58.209 58.200 0.376 0.000 0.920 84 S CB -1.063 62.321 63.200 0.307 0.000 0.776 84 S HN 0.247 nan 8.310 nan 0.000 0.517 85 W N 0.605 121.908 121.300 0.005 0.000 1.437 85 W HA -0.342 4.318 4.660 0.000 0.000 0.269 85 W C -0.255 176.169 176.519 -0.158 0.000 1.682 85 W CA 0.923 58.195 57.345 -0.122 0.000 2.084 85 W CB -1.476 27.773 29.460 -0.352 0.000 1.127 85 W HN 0.339 nan 8.180 nan 0.000 0.444 86 L N 3.435 124.526 121.223 -0.219 0.000 2.483 86 L HA 0.056 4.396 4.340 0.000 0.000 0.275 86 L C -0.713 175.811 176.870 -0.576 0.000 1.220 86 L CA -0.343 54.237 54.840 -0.433 0.000 0.833 86 L CB 0.069 42.018 42.059 -0.184 0.000 1.102 86 L HN 0.024 nan 8.230 nan 0.000 0.490 87 P HA -0.004 nan 4.420 nan 0.000 0.245 87 P C 1.308 178.320 177.300 -0.479 0.000 1.203 87 P CA 0.384 63.143 63.100 -0.568 0.000 0.792 87 P CB 0.528 31.901 31.700 -0.544 0.000 0.997 88 V N 0.833 120.467 119.914 -0.466 0.000 2.453 88 V HA -0.088 4.032 4.120 0.000 0.000 0.247 88 V C 1.147 176.983 176.094 -0.429 0.000 1.048 88 V CA 1.209 63.315 62.300 -0.324 0.000 1.049 88 V CB -1.450 30.270 31.823 -0.172 0.000 0.672 88 V HN 0.171 nan 8.190 nan 0.000 0.457 89 K N -0.708 119.246 120.400 -0.744 0.000 3.117 89 K HA -0.180 4.140 4.320 0.000 0.000 0.269 89 K C 0.281 176.651 176.600 -0.383 0.000 1.098 89 K CA 0.271 55.854 56.287 -1.173 0.000 0.785 89 K CB -1.617 30.241 32.500 -1.070 0.000 1.242 89 K HN 0.599 nan 8.250 nan 0.000 0.491 90 A N 0.947 123.684 122.820 -0.139 0.000 2.371 90 A HA 0.287 4.607 4.320 0.000 0.000 0.257 90 A C -0.048 177.648 177.584 0.186 0.000 1.089 90 A CA -0.371 51.698 52.037 0.055 0.000 0.794 90 A CB 0.400 19.469 19.000 0.115 0.000 1.029 90 A HN 0.236 nan 8.150 nan 0.000 0.488 91 D N 0.894 121.372 120.400 0.130 0.000 2.450 91 D HA 0.346 4.986 4.640 0.000 0.000 0.247 91 D C -0.327 175.977 176.300 0.006 0.000 1.162 91 D CA 0.978 55.045 54.000 0.112 0.000 0.879 91 D CB 0.226 41.048 40.800 0.037 0.000 1.163 91 D HN 0.366 nan 8.370 nan 0.000 0.472 92 L N 2.826 124.063 121.223 0.024 0.000 2.317 92 L HA 0.289 4.629 4.340 0.000 0.000 0.281 92 L C 1.158 177.956 176.870 -0.119 0.000 1.024 92 L CA -0.812 53.992 54.840 -0.059 0.000 0.810 92 L CB 1.705 43.814 42.059 0.083 0.000 1.240 92 L HN 0.284 nan 8.230 nan 0.000 0.427 93 D N 0.025 120.295 120.400 -0.217 0.000 2.183 93 D HA -0.028 4.612 4.640 0.000 0.000 0.203 93 D C 0.275 176.221 176.300 -0.590 0.000 0.969 93 D CA 1.465 55.233 54.000 -0.386 0.000 0.842 93 D CB 0.300 40.851 40.800 -0.415 0.000 0.957 93 D HN 0.399 nan 8.370 nan 0.000 0.484 94 H N -1.554 117.527 119.070 0.019 0.000 2.974 94 H HA 0.356 4.912 4.556 0.000 0.000 0.366 94 H C -1.416 173.993 175.328 0.136 0.000 1.155 94 H CA -0.682 55.398 56.048 0.053 0.000 1.186 94 H CB 1.580 31.358 29.762 0.026 0.000 1.799 94 H HN -0.100 nan 8.280 nan 0.000 0.541 95 F N 1.345 121.361 119.950 0.108 0.000 2.608 95 F HA 0.482 5.009 4.527 0.000 0.000 0.309 95 F C -1.392 174.436 175.800 0.047 0.000 1.103 95 F CA -0.410 57.629 58.000 0.064 0.000 0.954 95 F CB 2.267 41.255 39.000 -0.020 0.000 1.267 95 F HN 0.630 nan 8.300 nan 0.000 0.444 96 E N 3.907 123.347 120.200 -1.266 0.000 2.422 96 E HA 0.667 5.017 4.350 0.000 0.000 0.289 96 E C -2.175 173.908 176.600 -0.861 0.000 0.985 96 E CA -0.757 55.140 56.400 -0.838 0.000 0.812 96 E CB 1.779 31.286 29.700 -0.323 0.000 1.226 96 E HN 0.945 nan 8.360 nan 0.000 0.419 97 A N 4.346 126.845 122.820 -0.536 0.000 2.330 97 A HA 0.743 5.063 4.320 0.000 0.000 0.313 97 A C -0.911 176.541 177.584 -0.221 0.000 1.124 97 A CA -0.649 51.226 52.037 -0.270 0.000 0.774 97 A CB 1.148 20.122 19.000 -0.044 0.000 1.198 97 A HN 0.563 nan 8.150 nan 0.000 0.465 98 R N 1.705 122.120 120.500 -0.141 0.000 2.360 98 R HA 0.369 4.709 4.340 0.000 0.000 0.318 98 R C -1.256 175.033 176.300 -0.018 0.000 0.950 98 R CA -0.386 55.657 56.100 -0.096 0.000 0.837 98 R CB 1.379 31.677 30.300 -0.003 0.000 1.165 98 R HN 0.887 nan 8.270 nan 0.000 0.458 99 H N 0.989 120.049 119.070 -0.017 0.000 2.594 99 H HA 0.324 4.881 4.556 0.000 0.000 0.304 99 H C 0.468 175.710 175.328 -0.143 0.000 1.068 99 H CA -0.564 55.452 56.048 -0.054 0.000 1.308 99 H CB 1.664 31.393 29.762 -0.056 0.000 1.409 99 H HN 0.748 nan 8.280 nan 0.000 0.460 100 G N 2.362 110.943 108.800 -0.365 0.000 2.938 100 G HA2 0.415 4.375 3.960 0.000 0.000 0.258 100 G HA3 0.415 4.375 3.960 0.000 0.000 0.258 100 G C -0.637 173.734 174.900 -0.882 0.000 1.356 100 G CA -0.921 43.679 45.100 -0.832 0.000 1.052 100 G HN 0.497 nan 8.290 nan 0.000 0.550 101 L N 1.359 121.969 121.223 -1.022 0.000 2.334 101 L HA 0.437 4.777 4.340 0.000 0.000 0.286 101 L C 1.329 178.009 176.870 -0.318 0.000 1.108 101 L CA 0.529 54.661 54.840 -1.179 0.000 0.875 101 L CB 0.420 41.512 42.059 -1.612 0.000 1.246 101 L HN 1.037 nan 8.230 nan 0.000 0.439 102 G N 2.744 111.613 108.800 0.115 0.000 2.176 102 G HA2 -0.307 3.653 3.960 0.000 0.000 0.253 102 G HA3 -0.307 3.653 3.960 0.000 0.000 0.253 102 G C -0.209 174.954 174.900 0.438 0.000 0.979 102 G CA 0.417 45.781 45.100 0.439 0.000 0.641 102 G HN 0.745 nan 8.290 nan 0.000 0.530 103 Y N -1.532 118.913 120.300 0.242 0.000 2.656 103 Y HA 0.804 5.354 4.550 0.000 0.000 0.334 103 Y C -0.427 175.621 175.900 0.247 0.000 1.179 103 Y CA -0.998 57.262 58.100 0.267 0.000 1.050 103 Y CB 0.791 39.344 38.460 0.155 0.000 1.308 103 Y HN 0.405 nan 8.280 nan 0.000 0.456 104 S N 1.044 117.019 115.700 0.459 0.000 2.556 104 S HA 0.714 5.184 4.470 0.000 0.000 0.271 104 S C -1.400 173.510 174.600 0.516 0.000 1.135 104 S CA -1.153 57.287 58.200 0.400 0.000 0.858 104 S CB 2.055 65.508 63.200 0.422 0.000 1.114 104 S HN 0.662 nan 8.310 nan 0.000 0.468 105 R N 1.186 121.908 120.500 0.369 0.000 2.561 105 R HA 0.657 4.997 4.340 0.000 0.000 0.297 105 R C -1.247 175.178 176.300 0.208 0.000 0.969 105 R CA -0.476 55.807 56.100 0.304 0.000 0.879 105 R CB 1.580 32.000 30.300 0.200 0.000 1.178 105 R HN 0.515 nan 8.270 nan 0.000 0.445 106 I N 1.858 122.586 120.570 0.263 0.000 2.466 106 I HA 0.359 4.529 4.170 0.000 0.000 0.289 106 I C -0.583 175.601 176.117 0.111 0.000 1.026 106 I CA -0.607 60.788 61.300 0.158 0.000 1.078 106 I CB 2.561 40.764 38.000 0.339 0.000 1.249 106 I HN 0.500 nan 8.210 nan 0.000 0.429 107 T N 3.892 118.414 114.554 -0.054 0.000 2.848 107 T HA 0.667 5.017 4.350 0.000 0.000 0.285 107 T C -0.148 174.601 174.700 0.082 0.000 0.995 107 T CA -0.738 61.379 62.100 0.029 0.000 0.970 107 T CB 1.976 70.840 68.868 -0.008 0.000 0.976 107 T HN 0.812 nan 8.240 nan 0.000 0.441 108 G N 1.368 110.337 108.800 0.282 0.000 2.662 108 G HA2 0.671 4.631 3.960 0.000 0.000 0.302 108 G HA3 0.671 4.631 3.960 0.000 0.000 0.302 108 G C -1.664 173.478 174.900 0.404 0.000 1.389 108 G CA -0.549 44.805 45.100 0.424 0.000 0.998 108 G HN 0.670 nan 8.290 nan 0.000 0.502 109 E N 0.728 121.049 120.200 0.201 0.000 2.272 109 E HA 0.644 4.994 4.350 0.000 0.000 0.269 109 E C -0.934 175.464 176.600 -0.337 0.000 0.877 109 E CA -0.920 55.502 56.400 0.035 0.000 0.755 109 E CB 2.151 31.944 29.700 0.155 0.000 1.192 109 E HN 0.512 nan 8.360 nan 0.000 0.422 110 R N 3.731 123.827 120.500 -0.673 0.000 2.515 110 R HA 0.232 4.572 4.340 0.000 0.000 0.278 110 R C -1.065 174.952 176.300 -0.471 0.000 1.107 110 R CA -0.401 55.230 56.100 -0.783 0.000 0.945 110 R CB 0.711 30.098 30.300 -1.522 0.000 1.219 110 R HN 0.711 nan 8.270 nan 0.000 0.434 111 N N 2.768 121.312 118.700 -0.259 0.000 2.705 111 N HA -0.200 4.540 4.740 0.000 0.000 0.255 111 N C 0.466 175.960 175.510 -0.025 0.000 1.008 111 N CA 1.820 54.801 53.050 -0.115 0.000 0.742 111 N CB -0.987 37.444 38.487 -0.093 0.000 0.906 111 N HN 1.107 nan 8.380 nan 0.000 0.541 112 G N -2.178 106.617 108.800 -0.007 0.000 2.159 112 G HA2 -0.292 3.669 3.960 0.000 0.000 0.256 112 G HA3 -0.292 3.669 3.960 0.000 0.000 0.256 112 G C -0.325 174.632 174.900 0.094 0.000 0.977 112 G CA 0.393 45.520 45.100 0.045 0.000 0.652 112 G HN 0.447 nan 8.290 nan 0.000 0.531 113 L N 0.394 121.693 121.223 0.128 0.000 2.404 113 L HA 0.655 4.995 4.340 0.000 0.000 0.272 113 L C -0.069 176.985 176.870 0.306 0.000 0.980 113 L CA -1.095 53.892 54.840 0.246 0.000 0.836 113 L CB 1.756 44.054 42.059 0.399 0.000 1.238 113 L HN 0.219 nan 8.230 nan 0.000 0.408 114 K N 3.504 124.054 120.400 0.250 0.000 2.185 114 K HA 0.763 5.083 4.320 0.000 0.000 0.269 114 K C -1.575 175.185 176.600 0.267 0.000 0.987 114 K CA -0.541 55.900 56.287 0.257 0.000 0.865 114 K CB 1.432 34.028 32.500 0.160 0.000 1.090 114 K HN 0.395 nan 8.250 nan 0.000 0.450 115 V N 4.234 124.338 119.914 0.316 0.000 2.409 115 V HA 0.255 4.375 4.120 0.000 0.000 0.290 115 V C -0.674 175.524 176.094 0.173 0.000 1.017 115 V CA -0.777 61.651 62.300 0.212 0.000 0.841 115 V CB 1.301 33.218 31.823 0.157 0.000 1.003 115 V HN 0.855 nan 8.190 nan 0.000 0.426 116 E N 2.862 123.132 120.200 0.117 0.000 2.179 116 E HA 0.650 5.000 4.350 0.000 0.000 0.275 116 E C -1.033 175.604 176.600 0.061 0.000 0.945 116 E CA -0.390 56.066 56.400 0.092 0.000 0.792 116 E CB 1.700 31.440 29.700 0.067 0.000 1.125 116 E HN 0.652 nan 8.360 nan 0.000 0.397 117 T N 4.270 118.860 114.554 0.059 0.000 2.841 117 T HA 0.315 4.665 4.350 0.000 0.000 0.285 117 T C -1.046 173.618 174.700 -0.060 0.000 0.991 117 T CA -0.616 61.434 62.100 -0.084 0.000 0.966 117 T CB 0.831 69.554 68.868 -0.242 0.000 0.962 117 T HN 0.387 nan 8.240 nan 0.000 0.438 118 L N 4.329 125.497 121.223 -0.092 0.000 2.272 118 L HA 0.725 5.065 4.340 0.000 0.000 0.289 118 L C -1.628 175.277 176.870 0.058 0.000 1.032 118 L CA -0.317 54.573 54.840 0.083 0.000 0.810 118 L CB -0.004 42.098 42.059 0.072 0.000 1.205 118 L HN 0.525 nan 8.230 nan 0.000 0.422 119 F N 6.676 126.812 119.950 0.310 0.000 2.469 119 F HA 0.741 5.268 4.527 0.000 0.000 0.332 119 F C -0.255 175.827 175.800 0.469 0.000 1.103 119 F CA -0.413 57.772 58.000 0.309 0.000 0.979 119 F CB 1.549 40.677 39.000 0.214 0.000 1.137 119 F HN 0.538 nan 8.300 nan 0.000 0.463 120 F N 0.197 120.312 119.950 0.274 0.000 2.793 120 F HA 0.644 5.171 4.527 0.000 0.000 0.316 120 F C -2.462 173.398 175.800 0.100 0.000 1.147 120 F CA -1.330 56.798 58.000 0.214 0.000 0.930 120 F CB 0.666 39.804 39.000 0.231 0.000 1.277 120 F HN 0.099 nan 8.300 nan 0.000 0.443 121 V N 3.235 123.159 119.914 0.017 0.000 2.347 121 V HA 0.475 4.595 4.120 0.000 0.000 0.280 121 V C -2.196 173.837 176.094 -0.101 0.000 1.021 121 V CA -1.809 60.388 62.300 -0.171 0.000 0.847 121 V CB 1.256 33.094 31.823 0.025 0.000 0.990 121 V HN 0.609 nan 8.190 nan 0.000 0.444 122 P HA 0.230 nan 4.420 nan 0.000 0.272 122 P C -0.222 177.087 177.300 0.015 0.000 1.223 122 P CA -0.378 62.734 63.100 0.019 0.000 0.784 122 P CB 0.580 32.270 31.700 -0.017 0.000 0.923 123 L N 1.733 122.982 121.223 0.042 0.000 2.485 123 L HA 0.181 4.521 4.340 0.000 0.000 0.275 123 L C 1.738 178.592 176.870 -0.027 0.000 1.207 123 L CA 0.813 55.607 54.840 -0.076 0.000 0.855 123 L CB -0.718 41.246 42.059 -0.159 0.000 1.114 123 L HN 0.806 nan 8.230 nan 0.000 0.485 124 G N 1.375 110.148 108.800 -0.046 0.000 2.189 124 G HA2 -0.220 3.740 3.960 0.000 0.000 0.267 124 G HA3 -0.220 3.740 3.960 0.000 0.000 0.267 124 G C 0.148 175.048 174.900 -0.000 0.000 0.975 124 G CA -0.058 45.036 45.100 -0.009 0.000 0.644 124 G HN 0.594 nan 8.290 nan 0.000 0.537 125 E N -0.200 119.982 120.200 -0.031 0.000 2.238 125 E HA 0.334 4.684 4.350 0.000 0.000 0.267 125 E C -0.438 176.050 176.600 -0.187 0.000 0.887 125 E CA -0.796 55.560 56.400 -0.074 0.000 0.769 125 E CB 1.005 30.666 29.700 -0.065 0.000 1.187 125 E HN 0.369 nan 8.360 nan 0.000 0.416 126 N N 0.832 119.397 118.700 -0.225 0.000 3.301 126 N HA 0.420 5.160 4.740 0.000 0.000 0.289 126 N C -0.869 173.979 175.510 -1.104 0.000 1.343 126 N CA -0.132 52.679 53.050 -0.398 0.000 1.136 126 N CB 0.805 39.310 38.487 0.030 0.000 1.402 126 N HN 0.415 nan 8.380 nan 0.000 0.516 127 A N 0.714 122.664 122.820 -1.450 0.000 2.601 127 A HA 0.424 4.744 4.320 0.000 0.000 0.291 127 A C -1.528 175.591 177.584 -0.775 0.000 1.075 127 A CA -0.748 50.570 52.037 -1.199 0.000 0.671 127 A CB 1.416 20.088 19.000 -0.547 0.000 1.277 127 A HN 0.355 nan 8.150 nan 0.000 0.417 128 E N 0.877 120.882 120.200 -0.324 0.000 2.165 128 E HA 0.593 4.943 4.350 0.000 0.000 0.266 128 E C -1.507 174.964 176.600 -0.215 0.000 0.889 128 E CA -0.479 55.852 56.400 -0.115 0.000 0.756 128 E CB 1.551 31.366 29.700 0.190 0.000 1.131 128 E HN 0.472 nan 8.360 nan 0.000 0.411 129 V N 4.349 123.994 119.914 -0.450 0.000 2.547 129 V HA 0.307 4.427 4.120 0.000 0.000 0.299 129 V C -0.394 175.612 176.094 -0.147 0.000 1.040 129 V CA -0.647 61.397 62.300 -0.428 0.000 0.913 129 V CB 1.689 32.983 31.823 -0.881 0.000 0.992 129 V HN 0.725 nan 8.190 nan 0.000 0.449 130 Q N 3.184 122.961 119.800 -0.038 0.000 2.325 130 Q HA 0.448 4.788 4.340 0.000 0.000 0.270 130 Q C -0.822 175.204 176.000 0.043 0.000 1.020 130 Q CA -0.579 55.182 55.803 -0.070 0.000 0.785 130 Q CB 2.683 31.332 28.738 -0.148 0.000 1.259 130 Q HN 0.604 nan 8.270 nan 0.000 0.452 131 K N 2.953 123.371 120.400 0.030 0.000 2.334 131 K HA 0.398 4.718 4.320 0.000 0.000 0.265 131 K C -1.233 175.384 176.600 0.028 0.000 1.039 131 K CA -0.395 55.931 56.287 0.065 0.000 0.920 131 K CB 0.905 33.455 32.500 0.084 0.000 1.160 131 K HN 0.372 nan 8.250 nan 0.000 0.451 132 V N 3.772 123.736 119.914 0.084 0.000 2.394 132 V HA 0.281 4.401 4.120 0.000 0.000 0.282 132 V C -0.256 175.882 176.094 0.072 0.000 1.031 132 V CA -0.552 61.796 62.300 0.081 0.000 0.881 132 V CB 1.671 33.599 31.823 0.175 0.000 0.982 132 V HN 0.777 nan 8.190 nan 0.000 0.451 133 T N 4.617 119.206 114.554 0.059 0.000 2.791 133 T HA 0.504 4.854 4.350 0.000 0.000 0.288 133 T C -0.370 174.373 174.700 0.071 0.000 0.999 133 T CA -0.331 61.801 62.100 0.055 0.000 0.952 133 T CB 1.404 70.297 68.868 0.042 0.000 0.938 133 T HN 0.331 nan 8.240 nan 0.000 0.444 134 V N 4.147 124.104 119.914 0.072 0.000 2.394 134 V HA 0.566 4.686 4.120 0.000 0.000 0.282 134 V C 0.257 176.401 176.094 0.083 0.000 1.031 134 V CA -0.537 61.817 62.300 0.089 0.000 0.881 134 V CB 1.631 33.503 31.823 0.082 0.000 0.982 134 V HN 0.938 nan 8.190 nan 0.000 0.451 135 T N 3.798 118.413 114.554 0.102 0.000 2.861 135 T HA 0.307 4.657 4.350 0.000 0.000 0.287 135 T C -0.279 174.480 174.700 0.098 0.000 1.003 135 T CA -0.554 61.597 62.100 0.085 0.000 0.977 135 T CB 1.324 70.236 68.868 0.073 0.000 0.996 135 T HN 0.601 nan 8.240 nan 0.000 0.448 136 N N 2.097 120.845 118.700 0.079 0.000 2.415 136 N HA 0.110 4.850 4.740 0.000 0.000 0.246 136 N C 1.030 176.580 175.510 0.067 0.000 1.078 136 N CA -0.273 52.825 53.050 0.079 0.000 0.942 136 N CB 0.956 39.481 38.487 0.064 0.000 1.140 136 N HN 0.736 nan 8.380 nan 0.000 0.501 137 T N -0.628 113.970 114.554 0.073 0.000 3.122 137 T HA 0.111 4.461 4.350 0.000 0.000 0.250 137 T C 0.941 175.672 174.700 0.051 0.000 1.067 137 T CA -0.305 61.832 62.100 0.061 0.000 0.966 137 T CB -0.297 68.615 68.868 0.073 0.000 1.002 137 T HN 0.380 nan 8.240 nan 0.000 0.542 138 S N 1.894 117.624 115.700 0.049 0.000 2.694 138 S HA 0.352 4.822 4.470 0.000 0.000 0.278 138 S C 0.493 175.113 174.600 0.033 0.000 1.152 138 S CA -0.194 58.030 58.200 0.039 0.000 1.010 138 S CB 0.970 64.194 63.200 0.040 0.000 1.104 138 S HN 0.347 nan 8.310 nan 0.000 0.547 139 D N -0.660 119.757 120.400 0.028 0.000 2.368 139 D HA 0.472 5.112 4.640 0.000 0.000 0.218 139 D C 0.099 176.413 176.300 0.024 0.000 1.112 139 D CA -0.189 53.825 54.000 0.024 0.000 0.834 139 D CB -0.155 40.657 40.800 0.019 0.000 0.953 139 D HN 0.707 nan 8.370 nan 0.000 0.505 140 A N 0.628 123.464 122.820 0.028 0.000 2.556 140 A HA 0.658 4.978 4.320 0.000 0.000 0.294 140 A C -2.887 174.717 177.584 0.033 0.000 1.091 140 A CA -1.636 50.418 52.037 0.027 0.000 0.704 140 A CB 1.447 20.463 19.000 0.026 0.000 1.300 140 A HN -0.053 nan 8.150 nan 0.000 0.406 141 P HA 0.189 nan 4.420 nan 0.000 0.267 141 P C -1.104 176.221 177.300 0.042 0.000 1.200 141 P CA 0.319 63.439 63.100 0.034 0.000 0.772 141 P CB 0.465 32.182 31.700 0.028 0.000 0.855 142 K N 1.372 121.801 120.400 0.049 0.000 2.426 142 K HA 0.563 4.883 4.320 0.000 0.000 0.251 142 K C -0.520 176.115 176.600 0.058 0.000 0.941 142 K CA -0.521 55.803 56.287 0.061 0.000 0.808 142 K CB 2.189 34.737 32.500 0.079 0.000 1.265 142 K HN 0.331 nan 8.250 nan 0.000 0.432 143 T N 0.870 115.461 114.554 0.063 0.000 2.881 143 T HA 0.694 5.044 4.350 0.000 0.000 0.291 143 T C -1.173 173.568 174.700 0.069 0.000 0.990 143 T CA -0.609 61.524 62.100 0.055 0.000 0.976 143 T CB 1.533 70.427 68.868 0.044 0.000 0.970 143 T HN 0.675 nan 8.240 nan 0.000 0.438 144 A N 2.447 125.304 122.820 0.062 0.000 2.587 144 A HA 0.872 5.192 4.320 0.000 0.000 0.293 144 A C -0.574 177.025 177.584 0.026 0.000 1.087 144 A CA -0.836 51.243 52.037 0.070 0.000 0.692 144 A CB 1.691 20.751 19.000 0.100 0.000 1.291 144 A HN 0.599 nan 8.150 nan 0.000 0.407 145 T N 1.813 116.378 114.554 0.018 0.000 2.792 145 T HA 0.570 4.920 4.350 0.000 0.000 0.280 145 T C -0.601 174.008 174.700 -0.152 0.000 0.990 145 T CA -0.143 61.887 62.100 -0.117 0.000 0.960 145 T CB 0.480 69.244 68.868 -0.174 0.000 0.939 145 T HN 0.445 nan 8.240 nan 0.000 0.439 146 L N 3.748 124.849 121.223 -0.204 0.000 2.282 146 L HA 0.583 4.923 4.340 0.000 0.000 0.288 146 L C -0.897 175.887 176.870 -0.144 0.000 1.033 146 L CA -0.771 54.029 54.840 -0.068 0.000 0.807 146 L CB 0.639 42.712 42.059 0.023 0.000 1.209 146 L HN 0.580 nan 8.230 nan 0.000 0.423 147 F N 1.182 121.260 119.950 0.214 0.000 2.402 147 F HA 0.337 4.864 4.527 0.000 0.000 0.355 147 F C 0.804 176.822 175.800 0.363 0.000 1.123 147 F CA -0.665 57.529 58.000 0.323 0.000 1.021 147 F CB 1.789 41.022 39.000 0.388 0.000 1.160 147 F HN 0.478 nan 8.300 nan 0.000 0.451 148 S N 3.238 119.196 115.700 0.429 0.000 2.632 148 S HA 0.728 5.198 4.470 0.000 0.000 0.267 148 S C -0.971 173.889 174.600 0.434 0.000 1.276 148 S CA -0.459 57.925 58.200 0.307 0.000 0.998 148 S CB 1.681 64.978 63.200 0.162 0.000 0.953 148 S HN 0.566 nan 8.310 nan 0.000 0.547 149 F N 0.216 120.256 119.950 0.150 0.000 2.639 149 F HA 0.611 5.138 4.527 0.000 0.000 0.320 149 F C -1.633 173.998 175.800 -0.280 0.000 1.128 149 F CA -0.642 57.303 58.000 -0.091 0.000 1.037 149 F CB 1.274 40.293 39.000 0.031 0.000 1.288 149 F HN 0.715 nan 8.300 nan 0.000 0.463 150 V N 5.395 124.434 119.914 -1.457 0.000 2.891 150 V HA 0.413 4.533 4.120 0.000 0.000 0.304 150 V C -1.565 173.554 176.094 -1.626 0.000 1.171 150 V CA -0.363 61.113 62.300 -1.373 0.000 0.943 150 V CB 2.057 33.090 31.823 -1.316 0.000 1.037 150 V HN 0.874 nan 8.190 nan 0.000 0.427 151 E N 4.814 124.327 120.200 -1.145 0.000 2.134 151 E HA 0.481 4.831 4.350 0.000 0.000 0.278 151 E C -1.296 174.929 176.600 -0.625 0.000 0.959 151 E CA -0.545 55.378 56.400 -0.795 0.000 0.783 151 E CB 0.924 30.407 29.700 -0.361 0.000 1.095 151 E HN 0.510 nan 8.360 nan 0.000 0.399 152 F N 2.832 122.537 119.950 -0.409 0.000 2.410 152 F HA 0.207 4.734 4.527 0.000 0.000 0.334 152 F C 0.707 176.323 175.800 -0.306 0.000 1.134 152 F CA -0.685 57.053 58.000 -0.436 0.000 1.227 152 F CB 0.787 39.297 39.000 -0.817 0.000 1.194 152 F HN 0.406 nan 8.300 nan 0.000 0.571 153 C N 4.096 123.369 119.300 -0.044 0.000 2.435 153 C HA 0.556 5.016 4.460 0.000 0.000 0.333 153 C C 0.510 175.465 174.990 -0.058 0.000 1.202 153 C CA -1.003 57.989 59.018 -0.045 0.000 1.830 153 C CB 0.071 27.775 27.740 -0.059 0.000 2.326 153 C HN 0.733 nan 8.230 nan 0.000 0.507 154 L N 6.021 127.267 121.223 0.038 0.000 2.821 154 L HA 0.177 4.517 4.340 0.000 0.000 0.239 154 L C 0.568 177.553 176.870 0.191 0.000 1.391 154 L CA 0.239 55.145 54.840 0.109 0.000 1.231 154 L CB -1.037 41.122 42.059 0.166 0.000 1.598 154 L HN 1.046 nan 8.230 nan 0.000 0.428 155 W N -1.602 119.839 121.300 0.235 0.000 1.226 155 W HA -0.390 4.270 4.660 0.000 0.000 0.259 155 W C 1.283 177.888 176.519 0.144 0.000 1.438 155 W CA 1.224 58.699 57.345 0.217 0.000 1.835 155 W CB -0.992 28.616 29.460 0.247 0.000 1.355 155 W HN 0.440 nan 8.180 nan 0.000 0.457 156 N N 1.651 120.554 118.700 0.337 0.000 2.415 156 N HA 0.394 5.134 4.740 0.000 0.000 0.250 156 N C 0.776 176.342 175.510 0.093 0.000 1.127 156 N CA 0.886 54.045 53.050 0.183 0.000 0.945 156 N CB 1.220 39.793 38.487 0.142 0.000 1.196 156 N HN 0.277 nan 8.380 nan 0.000 0.499 157 A N 3.942 126.794 122.820 0.052 0.000 1.908 157 A HA -0.232 4.088 4.320 0.000 0.000 0.218 157 A C 1.959 179.524 177.584 -0.031 0.000 1.181 157 A CA 1.665 53.696 52.037 -0.011 0.000 0.627 157 A CB -0.560 18.407 19.000 -0.054 0.000 0.818 157 A HN 0.839 nan 8.150 nan 0.000 0.445 158 Q N -0.556 119.228 119.800 -0.026 0.000 2.084 158 Q HA -0.257 4.083 4.340 0.000 0.000 0.202 158 Q C 1.781 177.745 176.000 -0.060 0.000 0.978 158 Q CA 2.066 57.844 55.803 -0.042 0.000 0.844 158 Q CB -0.257 28.464 28.738 -0.030 0.000 0.898 158 Q HN 0.714 nan 8.270 nan 0.000 0.426 159 D N -0.236 120.140 120.400 -0.040 0.000 2.117 159 D HA -0.190 4.450 4.640 0.000 0.000 0.198 159 D C 1.499 177.716 176.300 -0.139 0.000 0.982 159 D CA 1.510 55.469 54.000 -0.068 0.000 0.828 159 D CB -0.177 40.617 40.800 -0.010 0.000 0.967 159 D HN 0.373 nan 8.370 nan 0.000 0.464 160 D N -0.664 119.686 120.400 -0.084 0.000 2.158 160 D HA -0.186 4.454 4.640 0.000 0.000 0.197 160 D C 1.668 177.839 176.300 -0.214 0.000 0.995 160 D CA 1.212 55.157 54.000 -0.091 0.000 0.846 160 D CB 0.079 40.874 40.800 -0.007 0.000 0.941 160 D HN 0.345 nan 8.370 nan 0.000 0.456 161 Q N -1.603 118.087 119.800 -0.183 0.000 2.360 161 Q HA 0.109 4.449 4.340 0.000 0.000 0.202 161 Q C 1.153 177.000 176.000 -0.255 0.000 0.915 161 Q CA 1.098 56.818 55.803 -0.138 0.000 0.943 161 Q CB 0.831 29.550 28.738 -0.032 0.000 1.064 161 Q HN 0.390 nan 8.270 nan 0.000 0.511 162 T N -4.624 109.695 114.554 -0.392 0.000 3.028 162 T HA 0.092 4.442 4.350 0.000 0.000 0.262 162 T C 0.684 175.200 174.700 -0.306 0.000 0.916 162 T CA -0.268 61.669 62.100 -0.272 0.000 0.873 162 T CB -0.034 68.766 68.868 -0.112 0.000 1.232 162 T HN -0.073 nan 8.240 nan 0.000 0.529 163 N N 0.619 119.082 118.700 -0.395 0.000 2.671 163 N HA 0.308 5.048 4.740 0.000 0.000 0.303 163 N C 0.062 175.448 175.510 -0.207 0.000 1.351 163 N CA -0.790 52.126 53.050 -0.224 0.000 0.991 163 N CB -0.464 37.947 38.487 -0.127 0.000 1.307 163 N HN 0.307 nan 8.380 nan 0.000 0.512 164 Y N 0.222 120.523 120.300 0.001 0.000 2.256 164 Y HA -0.253 4.297 4.550 0.000 0.000 0.288 164 Y C 2.265 178.123 175.900 -0.069 0.000 1.155 164 Y CA 1.312 59.396 58.100 -0.027 0.000 1.203 164 Y CB -0.467 37.995 38.460 0.002 0.000 0.980 164 Y HN 0.440 nan 8.280 nan 0.000 0.530 165 Q N 0.908 120.758 119.800 0.083 0.000 2.297 165 Q HA -0.207 4.133 4.340 0.000 0.000 0.208 165 Q C 1.979 177.971 176.000 -0.014 0.000 0.981 165 Q CA 2.062 57.881 55.803 0.027 0.000 0.876 165 Q CB -0.318 28.435 28.738 0.026 0.000 0.921 165 Q HN 0.571 nan 8.270 nan 0.000 0.446 166 R N 0.454 120.941 120.500 -0.021 0.000 2.098 166 R HA 0.021 4.361 4.340 0.000 0.000 0.203 166 R C 1.506 177.779 176.300 -0.045 0.000 1.166 166 R CA 0.830 56.911 56.100 -0.032 0.000 1.090 166 R CB -0.299 29.989 30.300 -0.020 0.000 0.992 166 R HN 0.448 nan 8.270 nan 0.000 0.477 167 N N 1.131 119.809 118.700 -0.036 0.000 2.585 167 N HA -0.122 4.618 4.740 0.000 0.000 0.188 167 N C 1.324 176.798 175.510 -0.060 0.000 1.102 167 N CA 0.975 54.011 53.050 -0.023 0.000 0.920 167 N CB -0.336 38.148 38.487 -0.005 0.000 0.963 167 N HN 0.387 nan 8.380 nan 0.000 0.447 168 L N -0.944 120.191 121.223 -0.147 0.000 2.552 168 L HA 0.139 4.479 4.340 0.000 0.000 0.227 168 L C 0.902 177.493 176.870 -0.466 0.000 1.146 168 L CA 0.424 55.017 54.840 -0.411 0.000 0.858 168 L CB -0.062 41.581 42.059 -0.693 0.000 0.969 168 L HN 0.208 nan 8.230 nan 0.000 0.451 169 S N -0.467 115.086 115.700 -0.246 0.000 2.559 169 S HA 0.199 4.669 4.470 0.000 0.000 0.226 169 S C 1.452 176.011 174.600 -0.068 0.000 1.000 169 S CA -0.292 57.806 58.200 -0.171 0.000 0.948 169 S CB 0.473 63.599 63.200 -0.123 0.000 0.870 169 S HN 0.452 nan 8.310 nan 0.000 0.497 170 I N -1.381 119.168 120.570 -0.036 0.000 4.070 170 I HA 0.450 4.620 4.170 0.000 0.000 0.328 170 I C 0.993 177.154 176.117 0.074 0.000 1.298 170 I CA -0.419 60.897 61.300 0.027 0.000 1.173 170 I CB -0.383 37.644 38.000 0.045 0.000 1.051 170 I HN 0.071 nan 8.210 nan 0.000 0.409 171 G N 2.449 111.295 108.800 0.078 0.000 2.272 171 G HA2 0.228 4.188 3.960 0.000 0.000 0.247 171 G HA3 0.228 4.188 3.960 0.000 0.000 0.247 171 G C -0.607 174.384 174.900 0.151 0.000 1.272 171 G CA 0.100 45.292 45.100 0.154 0.000 0.921 171 G HN 0.537 nan 8.290 nan 0.000 0.495 172 E N -0.022 120.288 120.200 0.182 0.000 2.314 172 E HA 0.518 4.868 4.350 0.000 0.000 0.272 172 E C -0.459 176.235 176.600 0.157 0.000 0.884 172 E CA -0.855 55.631 56.400 0.145 0.000 0.753 172 E CB 2.719 32.486 29.700 0.112 0.000 1.213 172 E HN 0.522 nan 8.360 nan 0.000 0.432 173 V N -1.108 118.885 119.914 0.131 0.000 3.160 173 V HA 0.675 4.796 4.120 0.000 0.000 0.310 173 V C -0.937 175.207 176.094 0.083 0.000 1.181 173 V CA -0.738 61.634 62.300 0.120 0.000 1.047 173 V CB 2.305 34.222 31.823 0.156 0.000 1.068 173 V HN 0.681 nan 8.190 nan 0.000 0.441 174 E N 0.341 120.596 120.200 0.092 0.000 2.314 174 E HA 0.711 5.061 4.350 0.000 0.000 0.272 174 E C -1.820 174.854 176.600 0.124 0.000 0.884 174 E CA -0.765 55.674 56.400 0.065 0.000 0.753 174 E CB 2.823 32.495 29.700 -0.047 0.000 1.213 174 E HN 0.648 nan 8.360 nan 0.000 0.432 175 V N 2.128 122.052 119.914 0.017 0.000 2.495 175 V HA 0.288 4.408 4.120 0.000 0.000 0.298 175 V C -0.385 175.678 176.094 -0.050 0.000 1.031 175 V CA -0.517 61.713 62.300 -0.115 0.000 0.871 175 V CB 1.666 33.187 31.823 -0.504 0.000 0.988 175 V HN 0.681 nan 8.190 nan 0.000 0.432 176 E N 3.212 123.429 120.200 0.029 0.000 2.795 176 E HA 0.273 4.623 4.350 0.000 0.000 0.226 176 E C 0.360 176.970 176.600 0.015 0.000 1.088 176 E CA -0.414 56.031 56.400 0.075 0.000 0.812 176 E CB 0.922 30.788 29.700 0.276 0.000 1.328 176 E HN 0.628 nan 8.360 nan 0.000 0.410 177 Q N 1.064 120.846 119.800 -0.030 0.000 2.167 177 Q HA -0.046 4.294 4.340 0.000 0.000 0.202 177 Q C -0.188 175.806 176.000 -0.010 0.000 0.970 177 Q CA 1.089 56.894 55.803 0.004 0.000 0.855 177 Q CB 0.362 29.134 28.738 0.056 0.000 0.911 177 Q HN 0.533 nan 8.270 nan 0.000 0.438 178 D N 0.818 121.210 120.400 -0.014 0.000 2.736 178 D HA 0.260 4.900 4.640 0.000 0.000 0.293 178 D C 0.094 176.354 176.300 -0.067 0.000 1.241 178 D CA 0.027 54.005 54.000 -0.037 0.000 0.965 178 D CB 0.458 41.245 40.800 -0.022 0.000 0.992 178 D HN 0.052 nan 8.370 nan 0.000 0.510 179 G N 1.516 110.261 108.800 -0.092 0.000 2.588 179 G HA2 0.225 4.185 3.960 0.000 0.000 0.281 179 G HA3 0.225 4.185 3.960 0.000 0.000 0.281 179 G C -0.957 173.776 174.900 -0.278 0.000 1.236 179 G CA -0.794 44.203 45.100 -0.172 0.000 0.969 179 G HN 0.022 nan 8.290 nan 0.000 0.504 180 P HA -0.121 nan 4.420 nan 0.000 0.218 180 P C 0.477 177.365 177.300 -0.687 0.000 1.148 180 P CA 1.410 64.142 63.100 -0.614 0.000 0.822 180 P CB 0.204 31.413 31.700 -0.819 0.000 0.784 181 H N -2.128 116.853 119.070 -0.147 0.000 3.058 181 H HA 0.468 5.024 4.556 0.000 0.000 0.266 181 H C 1.313 176.565 175.328 -0.127 0.000 1.135 181 H CA 0.791 56.770 56.048 -0.115 0.000 1.174 181 H CB 1.435 31.141 29.762 -0.094 0.000 1.581 181 H HN 0.223 nan 8.280 nan 0.000 0.553 182 G N 0.151 108.903 108.800 -0.080 0.000 2.368 182 G HA2 0.047 4.007 3.960 0.000 0.000 0.269 182 G HA3 0.047 4.007 3.960 0.000 0.000 0.269 182 G C -1.323 173.486 174.900 -0.152 0.000 1.291 182 G CA -0.670 44.356 45.100 -0.124 0.000 0.903 182 G HN 0.080 nan 8.290 nan 0.000 0.483 183 S N -0.355 115.200 115.700 -0.242 0.000 2.585 183 S HA 0.845 5.316 4.470 0.000 0.000 0.277 183 S C 0.236 174.643 174.600 -0.322 0.000 1.241 183 S CA 0.343 58.385 58.200 -0.265 0.000 1.041 183 S CB 1.376 64.377 63.200 -0.333 0.000 0.987 183 S HN 1.796 nan 8.310 nan 0.000 0.512 184 A N 2.112 124.883 122.820 -0.081 0.000 2.572 184 A HA 0.819 5.139 4.320 0.000 0.000 0.295 184 A C -1.300 176.298 177.584 0.023 0.000 1.072 184 A CA -0.639 51.376 52.037 -0.036 0.000 0.691 184 A CB 0.946 19.842 19.000 -0.175 0.000 1.291 184 A HN 0.735 nan 8.150 nan 0.000 0.404 185 I N 0.926 121.492 120.570 -0.006 0.000 2.509 185 I HA 0.413 4.583 4.170 0.000 0.000 0.293 185 I C -1.517 174.492 176.117 -0.180 0.000 1.020 185 I CA -0.474 60.836 61.300 0.017 0.000 1.088 185 I CB 1.921 40.036 38.000 0.192 0.000 1.267 185 I HN 0.662 nan 8.210 nan 0.000 0.430 186 Y N 4.213 124.541 120.300 0.046 0.000 2.328 186 Y HA 0.307 4.857 4.550 0.000 0.000 0.337 186 Y C 0.118 175.961 175.900 -0.094 0.000 0.966 186 Y CA -0.540 57.525 58.100 -0.058 0.000 1.136 186 Y CB 1.003 39.307 38.460 -0.260 0.000 1.170 186 Y HN 0.462 nan 8.280 nan 0.000 0.470 187 H N 5.210 124.148 119.070 -0.220 0.000 2.640 187 H HA 0.254 4.810 4.556 0.000 0.000 0.297 187 H C -0.261 175.027 175.328 -0.066 0.000 1.073 187 H CA -0.599 55.199 56.048 -0.416 0.000 1.305 187 H CB 0.786 29.777 29.762 -1.285 0.000 1.404 187 H HN 0.866 nan 8.280 nan 0.000 0.459 188 K N 3.223 123.498 120.400 -0.208 0.000 2.758 188 K HA 0.180 4.500 4.320 0.000 0.000 0.208 188 K C -0.458 176.114 176.600 -0.046 0.000 1.091 188 K CA -0.578 55.619 56.287 -0.149 0.000 1.059 188 K CB 0.451 32.814 32.500 -0.228 0.000 0.801 188 K HN 0.229 nan 8.250 nan 0.000 0.470 189 T N 2.853 117.299 114.554 -0.180 0.000 2.905 189 T HA -0.048 4.302 4.350 0.000 0.000 0.299 189 T C 0.182 174.973 174.700 0.152 0.000 1.024 189 T CA 0.653 62.788 62.100 0.058 0.000 1.151 189 T CB 0.213 69.165 68.868 0.141 0.000 0.987 189 T HN 0.566 nan 8.240 nan 0.000 0.535 190 E N 0.152 120.427 120.200 0.126 0.000 3.673 190 E HA -0.292 4.058 4.350 0.000 0.000 0.309 190 E C 0.196 176.815 176.600 0.032 0.000 0.819 190 E CA 0.658 57.106 56.400 0.080 0.000 1.111 190 E CB -1.452 28.292 29.700 0.073 0.000 1.561 190 E HN 0.870 nan 8.360 nan 0.000 0.450 191 Y N 1.427 121.679 120.300 -0.081 0.000 2.373 191 Y HA -0.083 4.467 4.550 0.000 0.000 0.293 191 Y C 2.453 178.373 175.900 0.034 0.000 1.129 191 Y CA 2.027 60.033 58.100 -0.157 0.000 1.226 191 Y CB 0.056 38.398 38.460 -0.197 0.000 1.000 191 Y HN 0.195 nan 8.280 nan 0.000 0.549 192 R N 0.453 121.129 120.500 0.294 0.000 2.237 192 R HA -0.082 4.258 4.340 0.000 0.000 0.219 192 R C 0.982 177.393 176.300 0.185 0.000 1.080 192 R CA 1.358 57.689 56.100 0.384 0.000 0.995 192 R CB -0.407 30.044 30.300 0.252 0.000 0.875 192 R HN 0.540 nan 8.270 nan 0.000 0.462 193 E N 0.496 120.736 120.200 0.067 0.000 3.868 193 E HA 0.188 4.538 4.350 0.000 0.000 0.331 193 E C 1.287 177.855 176.600 -0.053 0.000 0.699 193 E CA -0.812 55.598 56.400 0.017 0.000 1.672 193 E CB -0.126 29.585 29.700 0.018 0.000 2.271 193 E HN -0.036 nan 8.360 nan 0.000 0.482 194 R N 0.227 120.690 120.500 -0.061 0.000 2.276 194 R HA 0.181 4.521 4.340 0.000 0.000 0.203 194 R C 0.336 176.537 176.300 -0.165 0.000 1.017 194 R CA 0.206 56.255 56.100 -0.085 0.000 1.010 194 R CB -0.183 30.095 30.300 -0.036 0.000 0.900 194 R HN 0.117 nan 8.270 nan 0.000 0.469 195 R N 1.829 122.163 120.500 -0.277 0.000 2.308 195 R HA 0.009 4.349 4.340 0.000 0.000 0.305 195 R C -0.046 175.881 176.300 -0.622 0.000 1.053 195 R CA -0.131 55.643 56.100 -0.543 0.000 0.957 195 R CB 0.693 30.485 30.300 -0.846 0.000 1.022 195 R HN 0.133 nan 8.270 nan 0.000 0.461 196 D N 1.124 121.234 120.400 -0.484 0.000 2.388 196 D HA -0.012 4.628 4.640 0.000 0.000 0.221 196 D C -0.103 176.094 176.300 -0.171 0.000 1.133 196 D CA -0.047 53.739 54.000 -0.357 0.000 0.831 196 D CB 0.181 40.877 40.800 -0.173 0.000 0.962 196 D HN 0.546 nan 8.370 nan 0.000 0.502 197 H N -1.245 117.709 119.070 -0.195 0.000 2.821 197 H HA 0.566 5.122 4.556 0.000 0.000 0.373 197 H C -1.029 174.113 175.328 -0.310 0.000 1.165 197 H CA -1.018 54.763 56.048 -0.445 0.000 1.154 197 H CB 0.940 30.251 29.762 -0.751 0.000 1.765 197 H HN 0.076 nan 8.280 nan 0.000 0.549 198 Y N -0.444 119.697 120.300 -0.265 0.000 2.655 198 Y HA 0.801 5.351 4.550 0.000 0.000 0.336 198 Y C -1.481 174.514 175.900 0.158 0.000 1.154 198 Y CA -1.385 56.681 58.100 -0.056 0.000 1.055 198 Y CB 0.967 39.214 38.460 -0.355 0.000 1.295 198 Y HN 0.950 nan 8.280 nan 0.000 0.465 199 A N 1.008 124.166 122.820 0.562 0.000 2.337 199 A HA 0.824 5.144 4.320 0.000 0.000 0.331 199 A C -1.513 176.288 177.584 0.361 0.000 1.137 199 A CA -0.750 51.545 52.037 0.430 0.000 0.807 199 A CB 1.649 20.868 19.000 0.364 0.000 1.250 199 A HN 1.239 nan 8.150 nan 0.000 0.468 200 V N 1.376 121.469 119.914 0.299 0.000 2.823 200 V HA 0.822 4.942 4.120 0.000 0.000 0.312 200 V C -1.962 174.315 176.094 0.305 0.000 1.072 200 V CA -0.628 61.755 62.300 0.140 0.000 0.937 200 V CB 1.871 33.718 31.823 0.040 0.000 1.013 200 V HN 0.957 nan 8.190 nan 0.000 0.430 201 F N 5.059 125.054 119.950 0.075 0.000 2.659 201 F HA 0.874 5.401 4.527 0.000 0.000 0.342 201 F C 0.044 175.946 175.800 0.171 0.000 1.168 201 F CA -0.198 57.902 58.000 0.167 0.000 1.003 201 F CB 1.392 40.540 39.000 0.247 0.000 1.267 201 F HN 0.717 nan 8.300 nan 0.000 0.463 202 G N 3.155 111.848 108.800 -0.179 0.000 2.730 202 G HA2 0.665 4.625 3.960 0.000 0.000 0.289 202 G HA3 0.665 4.625 3.960 0.000 0.000 0.289 202 G C -2.205 172.488 174.900 -0.344 0.000 1.341 202 G CA -0.994 43.963 45.100 -0.238 0.000 0.932 202 G HN 0.692 nan 8.290 nan 0.000 0.481 203 V N 0.148 119.806 119.914 -0.427 0.000 2.876 203 V HA 0.460 4.580 4.120 0.000 0.000 0.312 203 V C -0.303 175.571 176.094 -0.367 0.000 1.085 203 V CA -1.008 60.976 62.300 -0.526 0.000 0.945 203 V CB 2.131 33.541 31.823 -0.688 0.000 1.017 203 V HN 0.875 nan 8.190 nan 0.000 0.428 204 N N 3.275 121.781 118.700 -0.324 0.000 2.542 204 N HA 0.112 4.852 4.740 0.000 0.000 0.234 204 N C -0.257 175.153 175.510 -0.166 0.000 1.257 204 N CA 0.419 53.358 53.050 -0.185 0.000 0.883 204 N CB 0.224 38.627 38.487 -0.141 0.000 1.197 204 N HN 0.650 nan 8.380 nan 0.000 0.488 205 T N -0.913 113.522 114.554 -0.198 0.000 2.786 205 T HA 0.224 4.574 4.350 0.000 0.000 0.316 205 T C -1.687 172.921 174.700 -0.153 0.000 1.503 205 T CA -0.823 61.186 62.100 -0.150 0.000 1.019 205 T CB 1.319 70.100 68.868 -0.146 0.000 1.415 205 T HN 0.089 nan 8.240 nan 0.000 0.496 206 R N 2.341 122.780 120.500 -0.102 0.000 2.248 206 R HA 0.597 4.937 4.340 0.000 0.000 0.337 206 R C 0.169 176.435 176.300 -0.057 0.000 1.085 206 R CA -0.172 55.880 56.100 -0.079 0.000 0.934 206 R CB -0.177 30.094 30.300 -0.047 0.000 1.034 206 R HN 0.770 nan 8.270 nan 0.000 0.465 207 A N 3.648 126.433 122.820 -0.059 0.000 2.425 207 A HA 0.060 4.380 4.320 0.000 0.000 0.242 207 A C 0.802 178.430 177.584 0.074 0.000 1.077 207 A CA -0.214 51.831 52.037 0.014 0.000 0.781 207 A CB 0.314 19.367 19.000 0.089 0.000 1.020 207 A HN 0.749 nan 8.150 nan 0.000 0.494 208 D N 0.780 121.217 120.400 0.061 0.000 2.144 208 D HA 0.108 4.748 4.640 0.000 0.000 0.200 208 D C 0.983 177.352 176.300 0.115 0.000 0.978 208 D CA 1.970 56.006 54.000 0.061 0.000 0.833 208 D CB 0.152 40.961 40.800 0.014 0.000 0.961 208 D HN 0.723 nan 8.370 nan 0.000 0.470 209 G N -0.788 108.111 108.800 0.165 0.000 2.663 209 G HA2 0.501 4.461 3.960 0.000 0.000 0.299 209 G HA3 0.501 4.461 3.960 0.000 0.000 0.299 209 G C -1.584 173.523 174.900 0.345 0.000 1.372 209 G CA -0.752 44.467 45.100 0.199 0.000 0.781 209 G HN 0.117 nan 8.290 nan 0.000 0.491 210 F N -1.982 118.081 119.950 0.189 0.000 2.789 210 F HA 0.870 5.397 4.527 0.000 0.000 0.319 210 F C -1.796 174.096 175.800 0.154 0.000 1.168 210 F CA -1.247 56.841 58.000 0.146 0.000 0.934 210 F CB 2.044 41.110 39.000 0.111 0.000 1.375 210 F HN 0.397 nan 8.300 nan 0.000 0.480 211 D N -0.111 120.464 120.400 0.293 0.000 2.937 211 D HA 0.290 4.930 4.640 0.000 0.000 0.215 211 D C -0.489 175.969 176.300 0.262 0.000 1.274 211 D CA 0.013 54.148 54.000 0.226 0.000 0.869 211 D CB 2.423 43.387 40.800 0.274 0.000 1.675 211 D HN 0.858 nan 8.370 nan 0.000 0.538 212 T N -1.761 112.962 114.554 0.282 0.000 3.043 212 T HA 0.179 4.529 4.350 0.000 0.000 0.272 212 T C 0.100 174.916 174.700 0.193 0.000 0.990 212 T CA -0.234 62.006 62.100 0.233 0.000 0.897 212 T CB 0.545 69.577 68.868 0.273 0.000 1.111 212 T HN 0.158 nan 8.240 nan 0.000 0.529 213 D N 1.026 121.540 120.400 0.190 0.000 2.349 213 D HA 0.396 5.036 4.640 0.000 0.000 0.232 213 D C 1.246 177.669 176.300 0.205 0.000 1.071 213 D CA -0.800 53.310 54.000 0.183 0.000 0.832 213 D CB 1.487 42.375 40.800 0.147 0.000 1.086 213 D HN -0.011 nan 8.370 nan 0.000 0.504 214 R N 2.778 123.420 120.500 0.237 0.000 2.083 214 R HA -0.157 4.183 4.340 0.000 0.000 0.237 214 R C 0.669 177.108 176.300 0.232 0.000 1.137 214 R CA 1.629 57.899 56.100 0.283 0.000 0.951 214 R CB 0.047 30.528 30.300 0.301 0.000 0.851 214 R HN 0.585 nan 8.270 nan 0.000 0.434 215 D N -0.615 119.884 120.400 0.165 0.000 2.149 215 D HA -0.131 4.509 4.640 0.000 0.000 0.198 215 D C 1.715 178.006 176.300 -0.014 0.000 0.990 215 D CA 1.696 55.715 54.000 0.032 0.000 0.839 215 D CB -0.247 40.511 40.800 -0.070 0.000 0.948 215 D HN 0.322 nan 8.370 nan 0.000 0.460 216 T N 0.365 114.936 114.554 0.030 0.000 2.812 216 T HA -0.106 4.244 4.350 0.000 0.000 0.264 216 T C 1.700 176.404 174.700 0.007 0.000 1.042 216 T CA 0.448 62.547 62.100 -0.001 0.000 1.140 216 T CB -0.365 68.519 68.868 0.027 0.000 0.870 216 T HN 0.112 nan 8.240 nan 0.000 0.445 217 F N 1.749 121.668 119.950 -0.050 0.000 2.113 217 F HA -0.094 4.433 4.527 0.000 0.000 0.297 217 F C 2.165 177.852 175.800 -0.188 0.000 1.103 217 F CA 1.009 58.954 58.000 -0.091 0.000 1.248 217 F CB -0.332 38.682 39.000 0.024 0.000 0.999 217 F HN -0.098 nan 8.300 nan 0.000 0.475 218 V N -0.038 119.874 119.914 -0.004 0.000 2.407 218 V HA 0.209 4.329 4.120 0.000 0.000 0.245 218 V C 1.118 177.080 176.094 -0.220 0.000 1.041 218 V CA 0.885 63.088 62.300 -0.161 0.000 1.040 218 V CB -1.352 30.452 31.823 -0.031 0.000 0.671 218 V HN 0.654 nan 8.190 nan 0.000 0.455 219 G N -0.256 108.440 108.800 -0.173 0.000 2.719 219 G HA2 0.235 4.196 3.960 0.000 0.000 0.686 219 G HA3 0.235 4.196 3.960 0.000 0.000 0.686 219 G C -0.244 174.504 174.900 -0.253 0.000 1.201 219 G CA -0.618 44.357 45.100 -0.207 0.000 0.768 219 G HN 1.044 nan 8.290 nan 0.000 0.629 220 A N 1.638 124.231 122.820 -0.378 0.000 2.531 220 A HA 0.601 4.921 4.320 0.000 0.000 0.236 220 A C 1.103 178.283 177.584 -0.674 0.000 1.062 220 A CA 1.579 53.182 52.037 -0.724 0.000 0.760 220 A CB -0.361 17.940 19.000 -1.165 0.000 0.995 220 A HN 2.171 nan 8.150 nan 0.000 0.501 221 Y N -1.111 119.143 120.300 -0.078 0.000 4.916 221 Y HA -0.231 4.319 4.550 0.000 0.000 0.247 221 Y C 0.437 176.288 175.900 -0.083 0.000 0.962 221 Y CA 0.604 58.659 58.100 -0.075 0.000 1.933 221 Y CB -2.450 35.968 38.460 -0.070 0.000 1.451 221 Y HN 0.703 nan 8.280 nan 0.000 0.539 222 N N 0.778 119.454 118.700 -0.040 0.000 2.456 222 N HA 0.551 5.292 4.740 0.000 0.000 0.296 222 N C 0.251 175.712 175.510 -0.081 0.000 1.102 222 N CA 0.087 53.097 53.050 -0.067 0.000 0.924 222 N CB 1.630 40.045 38.487 -0.119 0.000 1.186 222 N HN 0.288 nan 8.380 nan 0.000 0.492 223 S N 0.141 115.790 115.700 -0.085 0.000 2.707 223 S HA 0.378 4.848 4.470 0.000 0.000 0.276 223 S C 1.472 176.009 174.600 -0.104 0.000 1.179 223 S CA -0.733 57.415 58.200 -0.088 0.000 0.992 223 S CB 0.540 63.687 63.200 -0.089 0.000 1.030 223 S HN 0.466 nan 8.310 nan 0.000 0.554 224 L N 0.567 121.736 121.223 -0.090 0.000 2.265 224 L HA 0.030 4.370 4.340 0.000 0.000 0.215 224 L C 2.619 179.441 176.870 -0.079 0.000 1.117 224 L CA 1.249 56.038 54.840 -0.086 0.000 0.782 224 L CB -1.113 40.928 42.059 -0.032 0.000 0.914 224 L HN 0.994 nan 8.230 nan 0.000 0.441 225 G N -0.239 108.485 108.800 -0.127 0.000 2.534 225 G HA2 -0.149 3.812 3.960 0.000 0.000 0.217 225 G HA3 -0.149 3.812 3.960 0.000 0.000 0.217 225 G C 1.066 175.897 174.900 -0.115 0.000 1.128 225 G CA 0.169 45.182 45.100 -0.145 0.000 0.784 225 G HN 0.487 nan 8.290 nan 0.000 0.542 226 E N 0.189 120.308 120.200 -0.134 0.000 2.569 226 E HA 0.448 4.798 4.350 0.000 0.000 0.205 226 E C 0.764 177.221 176.600 -0.238 0.000 1.006 226 E CA -0.465 55.841 56.400 -0.155 0.000 0.985 226 E CB 0.876 30.502 29.700 -0.125 0.000 1.060 226 E HN 0.270 nan 8.360 nan 0.000 0.460 227 A N 1.174 123.799 122.820 -0.325 0.000 2.583 227 A HA -0.057 4.263 4.320 0.000 0.000 0.249 227 A C 1.331 178.541 177.584 -0.624 0.000 1.035 227 A CA 0.299 52.002 52.037 -0.557 0.000 0.777 227 A CB 0.185 18.635 19.000 -0.917 0.000 0.942 227 A HN 0.218 nan 8.150 nan 0.000 0.516 228 S N 2.098 117.469 115.700 -0.548 0.000 2.368 228 S HA -0.134 4.336 4.470 0.000 0.000 0.224 228 S C 1.958 176.210 174.600 -0.581 0.000 1.029 228 S CA 1.289 59.213 58.200 -0.461 0.000 0.988 228 S CB -0.364 62.639 63.200 -0.329 0.000 0.838 228 S HN 0.603 nan 8.310 nan 0.000 0.462 229 V N 2.876 122.292 119.914 -0.829 0.000 2.233 229 V HA -0.145 3.975 4.120 0.000 0.000 0.247 229 V C -0.663 174.805 176.094 -1.043 0.000 1.050 229 V CA 1.961 63.752 62.300 -0.847 0.000 1.010 229 V CB -1.711 29.523 31.823 -0.983 0.000 0.637 229 V HN 0.322 nan 8.190 nan 0.000 0.444 230 P HA -0.158 nan 4.420 nan 0.000 0.216 230 P C 1.722 178.638 177.300 -0.640 0.000 1.153 230 P CA 1.528 63.811 63.100 -1.361 0.000 0.858 230 P CB -0.100 30.946 31.700 -1.089 0.000 0.789 231 R N -0.619 119.583 120.500 -0.497 0.000 2.081 231 R HA -0.037 4.303 4.340 0.000 0.000 0.235 231 R C 2.295 178.474 176.300 -0.201 0.000 1.131 231 R CA 1.519 57.457 56.100 -0.270 0.000 0.960 231 R CB -1.018 29.135 30.300 -0.244 0.000 0.856 231 R HN 0.135 nan 8.270 nan 0.000 0.436 232 A N -0.230 122.441 122.820 -0.248 0.000 2.015 232 A HA 0.043 4.364 4.320 0.000 0.000 0.219 232 A C 1.696 179.240 177.584 -0.066 0.000 1.163 232 A CA 1.414 53.362 52.037 -0.148 0.000 0.646 232 A CB -0.424 18.477 19.000 -0.163 0.000 0.806 232 A HN 0.508 nan 8.150 nan 0.000 0.448 233 G N -1.190 107.576 108.800 -0.057 0.000 2.175 233 G HA2 -0.236 3.724 3.960 0.000 0.000 0.244 233 G HA3 -0.236 3.724 3.960 0.000 0.000 0.244 233 G C 0.042 175.158 174.900 0.359 0.000 0.982 233 G CA 0.643 45.847 45.100 0.174 0.000 0.641 233 G HN 1.298 nan 8.290 nan 0.000 0.527 234 K N -0.710 119.858 120.400 0.281 0.000 2.562 234 K HA 0.682 5.002 4.320 0.000 0.000 0.267 234 K C -0.249 176.506 176.600 0.257 0.000 0.938 234 K CA -0.601 55.869 56.287 0.306 0.000 0.840 234 K CB 1.101 33.677 32.500 0.127 0.000 1.390 234 K HN 0.112 nan 8.250 nan 0.000 0.428 235 S N 0.526 116.419 115.700 0.321 0.000 2.573 235 S HA 0.190 4.660 4.470 0.000 0.000 0.277 235 S C 0.901 175.506 174.600 0.008 0.000 1.346 235 S CA -0.029 58.290 58.200 0.197 0.000 1.034 235 S CB 1.129 64.423 63.200 0.157 0.000 0.879 235 S HN 0.718 nan 8.310 nan 0.000 0.528 236 A N 1.034 123.826 122.820 -0.047 0.000 2.308 236 A HA 0.254 4.574 4.320 0.000 0.000 0.217 236 A C 0.171 177.633 177.584 -0.205 0.000 1.216 236 A CA -0.178 51.802 52.037 -0.095 0.000 0.864 236 A CB -0.288 18.672 19.000 -0.066 0.000 0.902 236 A HN 0.783 nan 8.150 nan 0.000 0.499 237 D N 0.864 121.002 120.400 -0.437 0.000 2.701 237 D HA -0.138 4.502 4.640 0.000 0.000 0.235 237 D C 0.311 176.278 176.300 -0.556 0.000 1.155 237 D CA 1.308 54.662 54.000 -1.076 0.000 0.649 237 D CB -1.862 38.497 40.800 -0.734 0.000 1.050 237 D HN 0.663 nan 8.370 nan 0.000 0.425 238 S N -1.784 113.789 115.700 -0.211 0.000 2.564 238 S HA 0.459 4.930 4.470 0.000 0.000 0.278 238 S C 0.234 174.996 174.600 0.270 0.000 1.333 238 S CA -0.785 57.449 58.200 0.057 0.000 1.048 238 S CB 2.374 65.622 63.200 0.079 0.000 0.900 238 S HN 0.058 nan 8.310 nan 0.000 0.505 239 V N 2.801 122.863 119.914 0.246 0.000 2.350 239 V HA 0.637 4.757 4.120 0.000 0.000 0.285 239 V C 0.664 176.870 176.094 0.187 0.000 1.014 239 V CA -0.685 61.772 62.300 0.263 0.000 0.831 239 V CB 0.666 32.630 31.823 0.235 0.000 1.000 239 V HN 1.195 nan 8.190 nan 0.000 0.433 240 A N 3.695 126.629 122.820 0.191 0.000 2.386 240 A HA 0.641 4.961 4.320 0.000 0.000 0.248 240 A C 0.469 178.146 177.584 0.155 0.000 1.082 240 A CA 0.005 52.146 52.037 0.173 0.000 0.789 240 A CB 0.743 19.855 19.000 0.186 0.000 1.025 240 A HN 0.970 nan 8.150 nan 0.000 0.490 241 S N 0.971 116.767 115.700 0.161 0.000 2.461 241 S HA 0.552 5.022 4.470 0.000 0.000 0.216 241 S C 0.113 174.799 174.600 0.145 0.000 1.201 241 S CA 0.837 59.119 58.200 0.137 0.000 1.171 241 S CB -0.664 62.611 63.200 0.124 0.000 1.169 241 S HN 2.778 nan 8.310 nan 0.000 0.456 242 G N 3.441 112.295 108.800 0.091 0.000 2.632 242 G HA2 -0.145 3.815 3.960 0.000 0.000 0.224 242 G HA3 -0.145 3.815 3.960 0.000 0.000 0.224 242 G C 0.050 174.959 174.900 0.015 0.000 1.341 242 G CA 0.265 45.351 45.100 -0.024 0.000 0.880 242 G HN 1.236 nan 8.290 nan 0.000 0.566 243 W N -2.726 118.453 121.300 -0.201 0.000 1.922 243 W HA -0.213 4.447 4.660 0.000 0.000 0.275 243 W C 0.677 176.878 176.519 -0.530 0.000 1.129 243 W CA 2.100 59.118 57.345 -0.544 0.000 1.077 243 W CB -1.464 27.716 29.460 -0.467 0.000 0.883 243 W HN 0.903 nan 8.180 nan 0.000 0.546 244 Y N 1.001 121.519 120.300 0.363 0.000 2.587 244 Y HA 0.494 5.044 4.550 0.000 0.000 0.328 244 Y C -2.016 173.967 175.900 0.139 0.000 0.980 244 Y CA -2.998 55.223 58.100 0.202 0.000 1.272 244 Y CB -0.225 38.340 38.460 0.175 0.000 1.094 244 Y HN -0.332 nan 8.280 nan 0.000 0.503 245 P HA 0.210 nan 4.420 nan 0.000 0.268 245 P C -0.219 177.163 177.300 0.138 0.000 1.205 245 P CA 0.044 63.250 63.100 0.176 0.000 0.771 245 P CB 0.888 32.648 31.700 0.100 0.000 0.858 246 I N -1.201 119.421 120.570 0.086 0.000 3.174 246 I HA 0.887 5.057 4.170 0.000 0.000 0.313 246 I C -0.545 175.447 176.117 -0.209 0.000 1.155 246 I CA -1.331 59.784 61.300 -0.307 0.000 0.977 246 I CB 2.393 40.155 38.000 -0.396 0.000 1.248 246 I HN 0.312 nan 8.210 nan 0.000 0.453 247 G N 0.878 109.289 108.800 -0.649 0.000 2.557 247 G HA2 0.598 4.558 3.960 0.000 0.000 0.310 247 G HA3 0.598 4.558 3.960 0.000 0.000 0.310 247 G C -1.309 173.530 174.900 -0.103 0.000 1.328 247 G CA -0.485 44.500 45.100 -0.191 0.000 0.945 247 G HN 0.748 nan 8.290 nan 0.000 0.494 248 S N 1.645 117.362 115.700 0.029 0.000 2.543 248 S HA 0.601 5.071 4.470 0.000 0.000 0.273 248 S C -1.543 173.023 174.600 -0.057 0.000 1.152 248 S CA -0.814 57.426 58.200 0.066 0.000 0.910 248 S CB 1.105 64.256 63.200 -0.082 0.000 1.105 248 S HN 0.648 nan 8.310 nan 0.000 0.465 249 H N 1.490 120.759 119.070 0.333 0.000 2.768 249 H HA 0.606 5.162 4.556 0.000 0.000 0.371 249 H C -0.605 174.854 175.328 0.219 0.000 1.151 249 H CA -0.558 55.651 56.048 0.268 0.000 1.165 249 H CB 2.018 31.885 29.762 0.174 0.000 1.722 249 H HN 0.696 nan 8.280 nan 0.000 0.543 250 S N 1.252 117.092 115.700 0.234 0.000 2.473 250 S HA 0.622 5.093 4.470 0.000 0.000 0.307 250 S C -0.568 173.982 174.600 -0.082 0.000 1.094 250 S CA -0.721 57.417 58.200 -0.103 0.000 1.070 250 S CB 1.455 64.498 63.200 -0.263 0.000 1.019 250 S HN 0.259 nan 8.310 nan 0.000 0.480 251 V N 2.250 122.078 119.914 -0.143 0.000 2.525 251 V HA 0.749 4.869 4.120 0.000 0.000 0.299 251 V C 0.214 176.244 176.094 -0.108 0.000 1.034 251 V CA -0.736 61.516 62.300 -0.080 0.000 0.863 251 V CB 1.387 33.195 31.823 -0.025 0.000 0.999 251 V HN 1.198 nan 8.190 nan 0.000 0.423 252 A N 4.834 127.606 122.820 -0.080 0.000 2.331 252 A HA 0.853 5.173 4.320 0.000 0.000 0.283 252 A C -0.222 177.348 177.584 -0.024 0.000 1.142 252 A CA -0.354 51.650 52.037 -0.055 0.000 0.812 252 A CB 1.072 20.050 19.000 -0.035 0.000 1.074 252 A HN 1.534 nan 8.150 nan 0.000 0.497 253 V N -0.047 119.863 119.914 -0.007 0.000 2.876 253 V HA 0.906 5.026 4.120 0.000 0.000 0.312 253 V C -0.395 175.711 176.094 0.021 0.000 1.085 253 V CA -0.410 61.895 62.300 0.008 0.000 0.945 253 V CB 1.770 33.603 31.823 0.016 0.000 1.017 253 V HN 0.735 nan 8.190 nan 0.000 0.428 254 T N 5.498 120.064 114.554 0.021 0.000 2.840 254 T HA 0.730 5.080 4.350 0.000 0.000 0.287 254 T C -0.696 174.021 174.700 0.028 0.000 0.991 254 T CA -0.233 61.883 62.100 0.027 0.000 0.964 254 T CB 0.949 69.830 68.868 0.021 0.000 0.954 254 T HN 0.709 nan 8.240 nan 0.000 0.438 255 L N 3.070 124.314 121.223 0.036 0.000 2.385 255 L HA 0.502 4.842 4.340 0.000 0.000 0.273 255 L C 0.283 177.174 176.870 0.035 0.000 0.990 255 L CA -1.038 53.823 54.840 0.036 0.000 0.821 255 L CB 2.137 44.224 42.059 0.046 0.000 1.279 255 L HN 0.457 nan 8.230 nan 0.000 0.412 256 Q N 2.468 122.285 119.800 0.029 0.000 2.382 256 Q HA 0.292 4.632 4.340 0.000 0.000 0.229 256 Q C -2.281 173.737 176.000 0.030 0.000 1.006 256 Q CA -1.826 53.993 55.803 0.027 0.000 0.916 256 Q CB 0.473 29.224 28.738 0.021 0.000 1.235 256 Q HN 0.299 nan 8.270 nan 0.000 0.512 257 P HA -0.117 nan 4.420 nan 0.000 0.261 257 P C 0.358 177.675 177.300 0.028 0.000 1.173 257 P CA 1.449 64.567 63.100 0.030 0.000 0.760 257 P CB 0.209 31.924 31.700 0.025 0.000 0.783 258 G N 1.682 110.501 108.800 0.032 0.000 2.212 258 G HA2 -0.300 3.660 3.960 0.000 0.000 0.266 258 G HA3 -0.300 3.660 3.960 0.000 0.000 0.266 258 G C 0.252 175.168 174.900 0.028 0.000 0.978 258 G CA 0.136 45.253 45.100 0.028 0.000 0.632 258 G HN 0.622 nan 8.290 nan 0.000 0.537 259 E N 0.859 121.077 120.200 0.030 0.000 2.343 259 E HA 0.591 4.941 4.350 0.000 0.000 0.269 259 E C 0.532 177.153 176.600 0.035 0.000 1.047 259 E CA 0.154 56.571 56.400 0.028 0.000 0.874 259 E CB 0.727 30.442 29.700 0.025 0.000 1.033 259 E HN 0.580 nan 8.360 nan 0.000 0.409 260 S N 3.637 119.355 115.700 0.030 0.000 2.632 260 S HA 0.657 5.127 4.470 0.000 0.000 0.289 260 S C -0.785 173.831 174.600 0.027 0.000 1.115 260 S CA -1.070 57.151 58.200 0.035 0.000 0.889 260 S CB 2.036 65.257 63.200 0.034 0.000 1.116 260 S HN 0.613 nan 8.310 nan 0.000 0.486 261 R N 0.392 120.909 120.500 0.030 0.000 2.651 261 R HA 0.539 4.879 4.340 0.000 0.000 0.278 261 R C -2.087 174.225 176.300 0.020 0.000 1.010 261 R CA -0.427 55.684 56.100 0.019 0.000 0.896 261 R CB 1.555 31.865 30.300 0.016 0.000 1.211 261 R HN 0.725 nan 8.270 nan 0.000 0.456 262 D N 3.084 123.487 120.400 0.006 0.000 2.185 262 D HA 0.472 5.112 4.640 0.000 0.000 0.247 262 D C -0.756 175.529 176.300 -0.025 0.000 1.027 262 D CA -0.165 53.837 54.000 0.003 0.000 0.861 262 D CB 1.739 42.539 40.800 -0.000 0.000 1.202 262 D HN 0.320 nan 8.370 nan 0.000 0.453 263 L N 1.334 122.541 121.223 -0.026 0.000 2.436 263 L HA 0.465 4.805 4.340 0.000 0.000 0.268 263 L C -1.027 175.747 176.870 -0.160 0.000 0.974 263 L CA -0.973 53.782 54.840 -0.142 0.000 0.826 263 L CB 2.329 44.314 42.059 -0.123 0.000 1.291 263 L HN 0.009 nan 8.230 nan 0.000 0.406 264 V N 3.107 122.861 119.914 -0.267 0.000 2.357 264 V HA 0.426 4.546 4.120 0.000 0.000 0.284 264 V C -0.884 175.025 176.094 -0.308 0.000 1.018 264 V CA -0.573 61.635 62.300 -0.152 0.000 0.841 264 V CB 1.265 33.064 31.823 -0.040 0.000 0.991 264 V HN 0.404 nan 8.190 nan 0.000 0.437 265 Y N 3.178 123.419 120.300 -0.098 0.000 2.420 265 Y HA 0.755 5.305 4.550 0.000 0.000 0.334 265 Y C 0.080 175.905 175.900 -0.125 0.000 1.094 265 Y CA -0.992 57.014 58.100 -0.156 0.000 1.126 265 Y CB 2.014 40.384 38.460 -0.151 0.000 1.217 265 Y HN 0.337 nan 8.280 nan 0.000 0.462 266 V N 3.834 123.757 119.914 0.013 0.000 2.623 266 V HA 0.346 4.466 4.120 0.000 0.000 0.304 266 V C -1.343 174.850 176.094 0.165 0.000 1.054 266 V CA -0.760 61.546 62.300 0.010 0.000 0.882 266 V CB 2.057 33.854 31.823 -0.043 0.000 1.002 266 V HN 0.535 nan 8.190 nan 0.000 0.424 267 L N 4.688 126.036 121.223 0.208 0.000 2.294 267 L HA 0.957 5.297 4.340 0.000 0.000 0.283 267 L C 0.209 177.171 176.870 0.152 0.000 1.015 267 L CA 0.404 55.448 54.840 0.340 0.000 0.831 267 L CB 1.050 43.314 42.059 0.341 0.000 1.217 267 L HN 0.738 nan 8.230 nan 0.000 0.420 268 G N 3.160 112.062 108.800 0.169 0.000 2.533 268 G HA2 0.411 4.371 3.960 0.000 0.000 0.304 268 G HA3 0.411 4.371 3.960 0.000 0.000 0.304 268 G C -2.215 172.800 174.900 0.191 0.000 1.263 268 G CA -0.547 44.585 45.100 0.053 0.000 0.964 268 G HN 0.515 nan 8.290 nan 0.000 0.479 269 Y N 1.872 122.169 120.300 -0.004 0.000 2.331 269 Y HA 0.668 5.218 4.550 0.000 0.000 0.338 269 Y C -1.069 174.723 175.900 -0.180 0.000 0.976 269 Y CA -1.148 56.981 58.100 0.048 0.000 1.137 269 Y CB 0.973 39.511 38.460 0.130 0.000 1.172 269 Y HN 0.232 nan 8.280 nan 0.000 0.478 270 L N 5.729 126.445 121.223 -0.844 0.000 2.354 270 L HA 0.563 4.903 4.340 0.000 0.000 0.269 270 L C -0.608 175.632 176.870 -1.050 0.000 1.005 270 L CA -1.036 53.277 54.840 -0.879 0.000 0.819 270 L CB 1.968 43.460 42.059 -0.944 0.000 1.311 270 L HN 0.722 nan 8.230 nan 0.000 0.423 271 E N 1.544 121.355 120.200 -0.649 0.000 2.343 271 E HA 0.506 4.856 4.350 0.000 0.000 0.270 271 E C -1.066 175.381 176.600 -0.256 0.000 0.895 271 E CA -0.801 55.348 56.400 -0.417 0.000 0.767 271 E CB 2.795 32.340 29.700 -0.258 0.000 1.248 271 E HN 0.441 nan 8.360 nan 0.000 0.440 272 N N 1.561 120.162 118.700 -0.164 0.000 2.235 272 N HA 0.415 5.155 4.740 0.000 0.000 0.293 272 N C -2.766 172.678 175.510 -0.110 0.000 1.083 272 N CA -1.642 51.340 53.050 -0.114 0.000 0.801 272 N CB 2.064 40.504 38.487 -0.078 0.000 1.559 272 N HN 0.154 nan 8.380 nan 0.000 0.472 273 P HA 0.160 nan 4.420 nan 0.000 0.272 273 P C 0.027 177.270 177.300 -0.095 0.000 1.223 273 P CA -0.073 62.985 63.100 -0.069 0.000 0.784 273 P CB 0.804 32.478 31.700 -0.042 0.000 0.923 274 D N 0.945 121.293 120.400 -0.086 0.000 2.149 274 D HA -0.210 4.430 4.640 0.000 0.000 0.194 274 D C 1.323 177.583 176.300 -0.067 0.000 1.001 274 D CA 1.470 55.412 54.000 -0.097 0.000 0.849 274 D CB -0.166 40.602 40.800 -0.052 0.000 0.939 274 D HN 0.478 nan 8.370 nan 0.000 0.449 275 E N 0.022 120.206 120.200 -0.028 0.000 2.482 275 E HA -0.067 4.283 4.350 0.000 0.000 0.196 275 E C 0.930 177.530 176.600 -0.000 0.000 1.047 275 E CA 0.532 56.938 56.400 0.009 0.000 0.869 275 E CB 0.170 29.881 29.700 0.018 0.000 0.836 275 E HN 0.315 nan 8.360 nan 0.000 0.520 276 E N -0.093 120.079 120.200 -0.046 0.000 2.603 276 E HA 0.133 4.483 4.350 0.000 0.000 0.211 276 E C 1.088 177.621 176.600 -0.112 0.000 0.995 276 E CA -0.031 56.340 56.400 -0.049 0.000 0.990 276 E CB 0.363 30.038 29.700 -0.042 0.000 1.036 276 E HN 0.008 nan 8.360 nan 0.000 0.475 277 K N -0.598 119.665 120.400 -0.228 0.000 2.097 277 K HA -0.066 4.254 4.320 0.000 0.000 0.206 277 K C -0.208 176.029 176.600 -0.605 0.000 1.049 277 K CA 0.960 56.947 56.287 -0.499 0.000 0.933 277 K CB 0.157 32.082 32.500 -0.958 0.000 0.717 277 K HN 0.076 nan 8.250 nan 0.000 0.442 278 W N -1.069 120.162 121.300 -0.116 0.000 2.627 278 W HA 0.406 5.066 4.660 0.000 0.000 0.339 278 W C 0.709 177.200 176.519 -0.048 0.000 1.058 278 W CA -0.842 56.451 57.345 -0.087 0.000 1.223 278 W CB 1.072 30.417 29.460 -0.193 0.000 1.389 278 W HN -0.149 nan 8.180 nan 0.000 0.541 279 A N 0.862 123.799 122.820 0.195 0.000 2.072 279 A HA -0.003 4.317 4.320 0.000 0.000 0.216 279 A C 0.379 178.035 177.584 0.119 0.000 1.156 279 A CA 0.950 53.042 52.037 0.092 0.000 0.701 279 A CB -0.632 18.378 19.000 0.017 0.000 0.816 279 A HN 0.596 nan 8.150 nan 0.000 0.458 280 D N -1.660 118.846 120.400 0.177 0.000 2.350 280 D HA 0.281 4.921 4.640 0.000 0.000 0.238 280 D C -0.677 175.723 176.300 0.166 0.000 0.989 280 D CA -0.698 53.378 54.000 0.126 0.000 0.921 280 D CB 0.660 41.505 40.800 0.076 0.000 1.297 280 D HN -0.109 nan 8.370 nan 0.000 0.490 281 D N 0.596 121.047 120.400 0.086 0.000 2.219 281 D HA -0.063 4.577 4.640 0.000 0.000 0.205 281 D C 1.614 177.869 176.300 -0.076 0.000 0.970 281 D CA 1.206 55.231 54.000 0.042 0.000 0.851 281 D CB -0.121 40.675 40.800 -0.008 0.000 0.943 281 D HN 0.592 nan 8.370 nan 0.000 0.488 282 A N -0.212 122.563 122.820 -0.074 0.000 2.238 282 A HA -0.051 4.269 4.320 0.000 0.000 0.208 282 A C 0.046 177.487 177.584 -0.239 0.000 1.177 282 A CA 0.126 52.060 52.037 -0.171 0.000 0.804 282 A CB -0.789 18.144 19.000 -0.111 0.000 0.823 282 A HN 0.431 nan 8.150 nan 0.000 0.482 283 H N -1.205 117.614 119.070 -0.418 0.000 2.748 283 H HA -0.137 4.419 4.556 0.000 0.000 0.322 283 H C 0.307 174.986 175.328 -1.082 0.000 1.208 283 H CA 0.391 55.800 56.048 -1.065 0.000 1.151 283 H CB -0.673 28.240 29.762 -1.415 0.000 1.505 283 H HN 0.577 nan 8.280 nan 0.000 0.429 284 Q N -0.532 119.100 119.800 -0.280 0.000 2.288 284 Q HA 0.209 4.549 4.340 0.000 0.000 0.256 284 Q C 0.495 176.605 176.000 0.183 0.000 0.835 284 Q CA 0.426 56.168 55.803 -0.102 0.000 0.958 284 Q CB 1.624 30.325 28.738 -0.062 0.000 1.125 284 Q HN 0.251 nan 8.270 nan 0.000 0.513 285 V N 2.685 122.770 119.914 0.285 0.000 2.448 285 V HA 0.318 4.438 4.120 0.000 0.000 0.295 285 V C 0.303 176.549 176.094 0.254 0.000 1.025 285 V CA -1.175 61.245 62.300 0.199 0.000 0.859 285 V CB 1.703 33.564 31.823 0.063 0.000 0.988 285 V HN 0.086 nan 8.190 nan 0.000 0.431 286 V N 2.360 122.239 119.914 -0.058 0.000 2.740 286 V HA 0.352 4.472 4.120 0.000 0.000 0.303 286 V C 0.445 176.322 176.094 -0.362 0.000 1.054 286 V CA -0.392 61.685 62.300 -0.371 0.000 1.106 286 V CB 0.946 32.182 31.823 -0.978 0.000 0.957 286 V HN 0.917 nan 8.190 nan 0.000 0.486 287 N N 3.900 122.448 118.700 -0.254 0.000 2.431 287 N HA 0.164 4.904 4.740 0.000 0.000 0.265 287 N C 0.441 175.804 175.510 -0.244 0.000 1.184 287 N CA 0.074 53.011 53.050 -0.187 0.000 0.943 287 N CB 0.719 39.149 38.487 -0.096 0.000 1.080 287 N HN 0.818 nan 8.380 nan 0.000 0.477 288 K N 2.851 123.026 120.400 -0.374 0.000 2.410 288 K HA 0.175 4.495 4.320 0.000 0.000 0.200 288 K C 1.389 177.741 176.600 -0.414 0.000 1.023 288 K CA 0.062 56.078 56.287 -0.451 0.000 1.149 288 K CB 0.311 32.346 32.500 -0.775 0.000 0.859 288 K HN 0.559 nan 8.250 nan 0.000 0.514 289 A N 3.520 126.196 122.820 -0.241 0.000 1.869 289 A HA -0.166 4.154 4.320 0.000 0.000 0.218 289 A C -0.216 177.356 177.584 -0.021 0.000 1.203 289 A CA 1.558 53.528 52.037 -0.111 0.000 0.638 289 A CB -1.467 17.503 19.000 -0.050 0.000 0.831 289 A HN 0.207 nan 8.150 nan 0.000 0.450 290 P HA -0.106 nan 4.420 nan 0.000 0.218 290 P C 1.494 178.828 177.300 0.056 0.000 1.149 290 P CA 1.879 64.978 63.100 -0.002 0.000 0.817 290 P CB -0.150 31.503 31.700 -0.077 0.000 0.785 291 A N -0.134 122.764 122.820 0.129 0.000 1.897 291 A HA -0.172 4.149 4.320 0.000 0.000 0.215 291 A C 2.154 179.916 177.584 0.297 0.000 1.181 291 A CA 1.181 53.365 52.037 0.245 0.000 0.620 291 A CB -1.838 17.465 19.000 0.504 0.000 0.821 291 A HN 0.253 nan 8.150 nan 0.000 0.443 292 H N -0.750 118.426 119.070 0.178 0.000 2.353 292 H HA -0.047 4.510 4.556 0.000 0.000 0.300 292 H C 2.523 177.958 175.328 0.178 0.000 1.090 292 H CA 0.677 56.828 56.048 0.172 0.000 1.327 292 H CB 0.066 29.894 29.762 0.111 0.000 1.383 292 H HN 0.570 nan 8.280 nan 0.000 0.508 293 A N 1.169 124.132 122.820 0.239 0.000 1.898 293 A HA -0.148 4.173 4.320 0.000 0.000 0.216 293 A C 2.297 179.929 177.584 0.080 0.000 1.181 293 A CA 1.210 53.327 52.037 0.133 0.000 0.620 293 A CB -0.628 18.417 19.000 0.076 0.000 0.819 293 A HN 0.308 nan 8.150 nan 0.000 0.442 294 L N 0.066 121.348 121.223 0.099 0.000 1.989 294 L HA -0.136 4.204 4.340 0.000 0.000 0.211 294 L C 2.240 179.181 176.870 0.118 0.000 1.071 294 L CA 1.895 56.796 54.840 0.101 0.000 0.749 294 L CB -0.663 41.449 42.059 0.088 0.000 0.890 294 L HN 0.400 nan 8.230 nan 0.000 0.431 295 L N -0.546 120.750 121.223 0.122 0.000 2.191 295 L HA -0.120 4.220 4.340 0.000 0.000 0.212 295 L C 2.448 179.228 176.870 -0.149 0.000 1.103 295 L CA 1.048 55.935 54.840 0.079 0.000 0.769 295 L CB -1.303 40.850 42.059 0.157 0.000 0.908 295 L HN 0.505 nan 8.230 nan 0.000 0.438 296 G N -0.393 108.239 108.800 -0.281 0.000 2.448 296 G HA2 -0.155 3.805 3.960 0.000 0.000 0.218 296 G HA3 -0.155 3.805 3.960 0.000 0.000 0.218 296 G C 1.713 176.349 174.900 -0.439 0.000 1.135 296 G CA -0.005 44.632 45.100 -0.771 0.000 0.784 296 G HN 0.290 nan 8.290 nan 0.000 0.543 297 R N -0.914 119.403 120.500 -0.306 0.000 2.307 297 R HA 0.136 4.476 4.340 0.000 0.000 0.199 297 R C -0.008 175.745 176.300 -0.913 0.000 1.000 297 R CA 0.341 56.134 56.100 -0.513 0.000 1.023 297 R CB 0.039 30.062 30.300 -0.463 0.000 0.908 297 R HN 0.387 nan 8.270 nan 0.000 0.473 298 F N -1.252 118.612 119.950 -0.144 0.000 2.677 298 F HA 0.336 4.863 4.527 0.000 0.000 0.388 298 F C 0.818 176.536 175.800 -0.136 0.000 1.400 298 F CA -0.562 57.373 58.000 -0.108 0.000 1.162 298 F CB 0.879 39.826 39.000 -0.088 0.000 1.135 298 F HN -0.124 nan 8.300 nan 0.000 0.516 299 A N -0.463 122.282 122.820 -0.126 0.000 2.178 299 A HA 0.244 4.564 4.320 0.000 0.000 0.211 299 A C 1.105 178.644 177.584 -0.075 0.000 1.157 299 A CA 1.085 53.043 52.037 -0.132 0.000 0.780 299 A CB -0.289 18.554 19.000 -0.261 0.000 0.828 299 A HN 0.287 nan 8.150 nan 0.000 0.476 300 T N -5.261 109.259 114.554 -0.056 0.000 2.906 300 T HA 0.474 4.824 4.350 0.000 0.000 0.295 300 T C 0.667 175.371 174.700 0.007 0.000 1.075 300 T CA 0.222 62.302 62.100 -0.034 0.000 1.005 300 T CB 1.549 70.388 68.868 -0.049 0.000 1.136 300 T HN -0.112 nan 8.240 nan 0.000 0.498 301 S N 0.541 116.245 115.700 0.006 0.000 2.399 301 S HA -0.081 4.389 4.470 0.000 0.000 0.231 301 S C 1.752 176.366 174.600 0.024 0.000 1.022 301 S CA 1.362 59.577 58.200 0.025 0.000 0.983 301 S CB -0.439 62.766 63.200 0.008 0.000 0.803 301 S HN 0.832 nan 8.310 nan 0.000 0.480 302 E N 1.696 121.896 120.200 -0.000 0.000 2.077 302 E HA -0.135 4.215 4.350 0.000 0.000 0.193 302 E C 2.188 178.784 176.600 -0.007 0.000 0.989 302 E CA 1.095 57.489 56.400 -0.010 0.000 0.800 302 E CB -0.302 29.383 29.700 -0.025 0.000 0.746 302 E HN 0.559 nan 8.360 nan 0.000 0.452 303 Q N -0.115 119.673 119.800 -0.020 0.000 2.079 303 Q HA -0.090 4.250 4.340 0.000 0.000 0.200 303 Q C 2.236 178.294 176.000 0.097 0.000 0.974 303 Q CA 1.256 57.027 55.803 -0.054 0.000 0.840 303 Q CB -0.040 28.582 28.738 -0.195 0.000 0.898 303 Q HN 0.150 nan 8.270 nan 0.000 0.430 304 V N 1.605 121.647 119.914 0.213 0.000 2.295 304 V HA -0.267 3.853 4.120 0.000 0.000 0.246 304 V C 1.480 177.675 176.094 0.169 0.000 1.049 304 V CA 2.083 64.603 62.300 0.367 0.000 1.024 304 V CB -0.505 31.495 31.823 0.295 0.000 0.648 304 V HN 0.337 nan 8.190 nan 0.000 0.447 305 D N 0.452 120.883 120.400 0.052 0.000 2.144 305 D HA -0.129 4.511 4.640 0.000 0.000 0.199 305 D C 2.183 178.468 176.300 -0.025 0.000 0.984 305 D CA 1.611 55.593 54.000 -0.030 0.000 0.834 305 D CB -0.415 40.366 40.800 -0.031 0.000 0.955 305 D HN 0.449 nan 8.370 nan 0.000 0.465 306 A N 0.878 123.705 122.820 0.012 0.000 1.902 306 A HA -0.017 4.303 4.320 0.000 0.000 0.217 306 A C 2.294 179.904 177.584 0.043 0.000 1.181 306 A CA 2.106 54.150 52.037 0.011 0.000 0.623 306 A CB -0.691 18.307 19.000 -0.003 0.000 0.818 306 A HN 0.238 nan 8.150 nan 0.000 0.443 307 A N -0.810 122.086 122.820 0.127 0.000 1.930 307 A HA 0.040 4.360 4.320 0.000 0.000 0.217 307 A C 2.096 179.741 177.584 0.103 0.000 1.175 307 A CA 1.584 53.759 52.037 0.231 0.000 0.627 307 A CB -0.497 18.852 19.000 0.582 0.000 0.815 307 A HN 0.570 nan 8.150 nan 0.000 0.443 308 L N -0.405 120.744 121.223 -0.125 0.000 2.093 308 L HA -0.075 4.265 4.340 0.000 0.000 0.208 308 L C 2.218 178.990 176.870 -0.164 0.000 1.085 308 L CA 2.397 57.014 54.840 -0.372 0.000 0.755 308 L CB -0.408 41.311 42.059 -0.567 0.000 0.904 308 L HN 0.397 nan 8.230 nan 0.000 0.435 309 E N -0.171 119.975 120.200 -0.090 0.000 2.150 309 E HA -0.114 4.236 4.350 0.000 0.000 0.193 309 E C 2.104 178.718 176.600 0.023 0.000 0.985 309 E CA 1.252 57.630 56.400 -0.037 0.000 0.814 309 E CB -0.253 29.430 29.700 -0.028 0.000 0.752 309 E HN 0.517 nan 8.360 nan 0.000 0.466 310 A N 0.408 123.251 122.820 0.039 0.000 1.898 310 A HA -0.123 4.197 4.320 0.000 0.000 0.216 310 A C 2.173 179.826 177.584 0.114 0.000 1.181 310 A CA 1.435 53.514 52.037 0.070 0.000 0.620 310 A CB -0.730 18.310 19.000 0.066 0.000 0.819 310 A HN 0.368 nan 8.150 nan 0.000 0.442 311 L N 0.802 122.100 121.223 0.125 0.000 2.083 311 L HA -0.163 4.177 4.340 0.000 0.000 0.209 311 L C 2.072 179.151 176.870 0.349 0.000 1.083 311 L CA 2.335 57.311 54.840 0.226 0.000 0.752 311 L CB -0.782 41.427 42.059 0.250 0.000 0.899 311 L HN 0.556 nan 8.230 nan 0.000 0.433 312 N N -1.083 117.749 118.700 0.220 0.000 2.120 312 N HA -0.172 4.568 4.740 0.000 0.000 0.188 312 N C 1.690 177.330 175.510 0.216 0.000 1.024 312 N CA 1.558 54.742 53.050 0.224 0.000 0.852 312 N CB 0.110 38.652 38.487 0.092 0.000 1.003 312 N HN 0.427 nan 8.380 nan 0.000 0.424 313 S N -0.129 115.667 115.700 0.159 0.000 2.383 313 S HA -0.128 4.342 4.470 0.000 0.000 0.227 313 S C 1.674 176.357 174.600 0.138 0.000 1.026 313 S CA 0.654 58.927 58.200 0.122 0.000 0.981 313 S CB -0.535 62.717 63.200 0.087 0.000 0.818 313 S HN 0.509 nan 8.310 nan 0.000 0.472 314 Y N 0.751 121.060 120.300 0.014 0.000 2.128 314 Y HA -0.213 4.337 4.550 0.000 0.000 0.284 314 Y C 1.866 177.665 175.900 -0.169 0.000 1.154 314 Y CA 1.447 59.489 58.100 -0.097 0.000 1.149 314 Y CB -0.506 37.878 38.460 -0.127 0.000 0.976 314 Y HN 0.261 nan 8.280 nan 0.000 0.505 315 W N 0.127 121.497 121.300 0.116 0.000 2.418 315 W HA -0.127 4.533 4.660 0.000 0.000 0.292 315 W C 2.562 179.044 176.519 -0.062 0.000 1.213 315 W CA 1.853 59.185 57.345 -0.021 0.000 1.283 315 W CB -0.564 28.931 29.460 0.059 0.000 1.119 315 W HN -0.075 nan 8.180 nan 0.000 0.542 316 T N -0.059 114.603 114.554 0.180 0.000 2.746 316 T HA -0.268 4.082 4.350 0.000 0.000 0.267 316 T C 1.429 176.144 174.700 0.026 0.000 1.039 316 T CA 1.815 63.975 62.100 0.099 0.000 1.142 316 T CB -0.515 68.401 68.868 0.080 0.000 0.866 316 T HN 0.137 nan 8.240 nan 0.000 0.444 317 N N 0.760 119.438 118.700 -0.037 0.000 2.142 317 N HA 0.020 4.760 4.740 0.000 0.000 0.186 317 N C 1.745 177.163 175.510 -0.153 0.000 1.023 317 N CA 0.997 53.992 53.050 -0.092 0.000 0.852 317 N CB -0.408 38.008 38.487 -0.118 0.000 0.998 317 N HN 0.311 nan 8.380 nan 0.000 0.424 318 L N -0.020 121.036 121.223 -0.279 0.000 2.083 318 L HA -0.110 4.230 4.340 0.000 0.000 0.209 318 L C 1.711 178.515 176.870 -0.109 0.000 1.083 318 L CA 0.847 55.487 54.840 -0.333 0.000 0.752 318 L CB -0.352 41.332 42.059 -0.625 0.000 0.899 318 L HN 0.263 nan 8.230 nan 0.000 0.433 319 L N -0.598 120.641 121.223 0.027 0.000 2.599 319 L HA -0.006 4.334 4.340 0.000 0.000 0.230 319 L C 2.333 179.261 176.870 0.097 0.000 1.141 319 L CA 0.346 55.250 54.840 0.107 0.000 0.877 319 L CB -0.326 41.818 42.059 0.142 0.000 1.009 319 L HN 0.296 nan 8.230 nan 0.000 0.447 320 S N -2.634 113.094 115.700 0.048 0.000 2.562 320 S HA -0.059 4.411 4.470 0.000 0.000 0.221 320 S C 1.721 176.357 174.600 0.061 0.000 0.975 320 S CA 0.628 58.855 58.200 0.045 0.000 0.918 320 S CB -0.162 63.045 63.200 0.012 0.000 0.772 320 S HN 0.272 nan 8.310 nan 0.000 0.531 321 T N 0.272 114.882 114.554 0.093 0.000 2.896 321 T HA 0.126 4.476 4.350 0.000 0.000 0.263 321 T C -0.188 174.634 174.700 0.203 0.000 1.050 321 T CA 0.836 63.016 62.100 0.134 0.000 1.140 321 T CB -0.247 68.713 68.868 0.154 0.000 0.877 321 T HN 0.631 nan 8.240 nan 0.000 0.457 322 Y N 1.446 121.835 120.300 0.149 0.000 2.386 322 Y HA 0.489 5.039 4.550 0.000 0.000 0.334 322 Y C -0.846 175.135 175.900 0.135 0.000 1.002 322 Y CA -0.909 57.269 58.100 0.129 0.000 1.068 322 Y CB 1.455 39.993 38.460 0.130 0.000 1.203 322 Y HN 0.116 nan 8.280 nan 0.000 0.443 323 S N 4.399 120.161 115.700 0.103 0.000 2.565 323 S HA 0.785 5.255 4.470 0.000 0.000 0.269 323 S C -2.302 172.330 174.600 0.052 0.000 1.153 323 S CA -0.809 57.499 58.200 0.180 0.000 0.835 323 S CB 1.587 64.855 63.200 0.113 0.000 1.122 323 S HN 0.793 nan 8.310 nan 0.000 0.462 324 V N 0.558 120.547 119.914 0.125 0.000 3.078 324 V HA 0.908 5.028 4.120 0.000 0.000 0.311 324 V C -1.117 175.033 176.094 0.093 0.000 1.138 324 V CA -0.197 62.162 62.300 0.097 0.000 1.007 324 V CB 2.302 34.192 31.823 0.111 0.000 1.045 324 V HN 1.283 nan 8.190 nan 0.000 0.432 325 S N 3.085 118.846 115.700 0.103 0.000 2.774 325 S HA 0.749 5.220 4.470 0.000 0.000 0.297 325 S C -0.498 174.175 174.600 0.122 0.000 1.143 325 S CA 0.175 58.429 58.200 0.090 0.000 1.090 325 S CB 0.818 64.057 63.200 0.066 0.000 1.019 325 S HN 1.482 nan 8.310 nan 0.000 0.482 326 S N 2.435 118.199 115.700 0.106 0.000 2.874 326 S HA 0.549 5.019 4.470 0.000 0.000 0.318 326 S C 0.908 175.562 174.600 0.089 0.000 1.109 326 S CA 0.099 58.373 58.200 0.123 0.000 0.878 326 S CB 0.659 63.911 63.200 0.087 0.000 1.307 326 S HN 0.749 nan 8.310 nan 0.000 0.592 327 T N -2.047 112.561 114.554 0.089 0.000 3.107 327 T HA 0.221 4.571 4.350 0.000 0.000 0.249 327 T C -0.141 174.610 174.700 0.084 0.000 1.096 327 T CA 0.257 62.403 62.100 0.076 0.000 1.012 327 T CB -0.468 68.443 68.868 0.072 0.000 0.977 327 T HN 0.541 nan 8.240 nan 0.000 0.527 328 D N 2.234 122.692 120.400 0.098 0.000 2.441 328 D HA 0.127 4.767 4.640 0.000 0.000 0.231 328 D C 1.224 177.574 176.300 0.084 0.000 1.073 328 D CA -0.456 53.620 54.000 0.127 0.000 0.850 328 D CB 1.341 42.279 40.800 0.230 0.000 1.062 328 D HN 0.288 nan 8.370 nan 0.000 0.524 329 E N 3.779 124.002 120.200 0.038 0.000 2.274 329 E HA -0.153 4.197 4.350 0.000 0.000 0.194 329 E C 0.672 177.226 176.600 -0.077 0.000 0.996 329 E CA 0.796 57.194 56.400 -0.002 0.000 0.840 329 E CB 0.064 29.761 29.700 -0.004 0.000 0.772 329 E HN 0.440 nan 8.360 nan 0.000 0.491 330 K N 0.247 120.557 120.400 -0.151 0.000 2.076 330 K HA -0.011 4.309 4.320 0.000 0.000 0.204 330 K C 2.269 178.740 176.600 -0.214 0.000 1.051 330 K CA 0.936 56.990 56.287 -0.388 0.000 0.949 330 K CB -0.200 31.784 32.500 -0.860 0.000 0.726 330 K HN 0.058 nan 8.250 nan 0.000 0.443 331 L N 2.047 123.309 121.223 0.064 0.000 1.994 331 L HA -0.198 4.142 4.340 0.000 0.000 0.208 331 L C 1.318 178.295 176.870 0.179 0.000 1.071 331 L CA 2.054 57.080 54.840 0.309 0.000 0.745 331 L CB -0.523 41.773 42.059 0.396 0.000 0.892 331 L HN 0.069 nan 8.230 nan 0.000 0.431 332 D N -0.436 120.027 120.400 0.106 0.000 2.104 332 D HA -0.244 4.396 4.640 0.000 0.000 0.194 332 D C 2.281 178.635 176.300 0.090 0.000 0.994 332 D CA 1.671 55.727 54.000 0.093 0.000 0.830 332 D CB -0.282 40.558 40.800 0.067 0.000 0.959 332 D HN 0.393 nan 8.370 nan 0.000 0.452 333 R N -0.071 120.446 120.500 0.029 0.000 2.096 333 R HA -0.164 4.177 4.340 0.000 0.000 0.240 333 R C 1.951 178.334 176.300 0.139 0.000 1.139 333 R CA 1.438 57.550 56.100 0.019 0.000 0.952 333 R CB -0.059 30.110 30.300 -0.218 0.000 0.854 333 R HN 0.086 nan 8.270 nan 0.000 0.436 334 M N -0.029 119.647 119.600 0.128 0.000 2.099 334 M HA -0.091 4.389 4.480 0.000 0.000 0.262 334 M C 2.368 178.857 176.300 0.314 0.000 1.067 334 M CA 1.165 56.615 55.300 0.249 0.000 1.124 334 M CB -0.697 32.070 32.600 0.279 0.000 1.353 334 M HN 0.079 nan 8.290 nan 0.000 0.410 335 V N 1.298 121.387 119.914 0.292 0.000 2.358 335 V HA -0.227 3.893 4.120 0.000 0.000 0.246 335 V C 1.999 178.288 176.094 0.325 0.000 1.047 335 V CA 1.517 64.013 62.300 0.327 0.000 1.035 335 V CB -0.826 31.133 31.823 0.225 0.000 0.658 335 V HN 0.440 nan 8.190 nan 0.000 0.452 336 N N -0.788 118.042 118.700 0.218 0.000 2.416 336 N HA 0.157 4.897 4.740 0.000 0.000 0.177 336 N C 1.373 176.922 175.510 0.065 0.000 1.036 336 N CA 1.049 54.198 53.050 0.164 0.000 0.901 336 N CB 0.535 39.091 38.487 0.116 0.000 0.976 336 N HN 0.477 nan 8.380 nan 0.000 0.444 337 I N -2.349 118.215 120.570 -0.009 0.000 3.694 337 I HA 0.072 4.242 4.170 0.000 0.000 0.259 337 I C 1.168 177.085 176.117 -0.332 0.000 1.070 337 I CA -0.299 60.827 61.300 -0.289 0.000 1.833 337 I CB -0.266 37.380 38.000 -0.589 0.000 1.648 337 I HN -0.094 nan 8.210 nan 0.000 0.431 338 W N 1.916 123.271 121.300 0.092 0.000 2.338 338 W HA -0.170 4.490 4.660 0.000 0.000 0.304 338 W C 2.414 179.042 176.519 0.182 0.000 1.212 338 W CA 1.158 58.593 57.345 0.149 0.000 1.264 338 W CB -0.694 28.843 29.460 0.128 0.000 1.142 338 W HN 0.203 nan 8.180 nan 0.000 0.512 339 N N 0.349 119.268 118.700 0.364 0.000 2.188 339 N HA -0.160 4.580 4.740 0.000 0.000 0.184 339 N C 1.619 177.221 175.510 0.155 0.000 1.018 339 N CA 1.480 54.746 53.050 0.359 0.000 0.858 339 N CB -0.337 38.463 38.487 0.522 0.000 0.989 339 N HN 0.335 nan 8.380 nan 0.000 0.426 340 Q N -1.221 118.602 119.800 0.038 0.000 2.123 340 Q HA -0.145 4.195 4.340 0.000 0.000 0.199 340 Q C 1.716 177.811 176.000 0.158 0.000 0.966 340 Q CA 0.941 56.693 55.803 -0.086 0.000 0.845 340 Q CB -0.214 28.487 28.738 -0.063 0.000 0.907 340 Q HN 0.554 nan 8.270 nan 0.000 0.439 341 Y N 1.627 121.927 120.300 0.001 0.000 2.145 341 Y HA -0.331 4.219 4.550 0.000 0.000 0.286 341 Y C 2.631 178.659 175.900 0.212 0.000 1.145 341 Y CA 1.731 59.812 58.100 -0.032 0.000 1.148 341 Y CB 0.141 38.421 38.460 -0.301 0.000 0.981 341 Y HN 0.120 nan 8.280 nan 0.000 0.507 342 Q N -0.578 119.352 119.800 0.216 0.000 2.170 342 Q HA -0.225 4.115 4.340 0.000 0.000 0.203 342 Q C 2.202 178.292 176.000 0.151 0.000 0.976 342 Q CA 1.844 57.761 55.803 0.189 0.000 0.858 342 Q CB -0.341 28.493 28.738 0.161 0.000 0.907 342 Q HN 0.616 nan 8.270 nan 0.000 0.433 343 C N -0.000 119.387 119.300 0.146 0.000 2.432 343 C HA -0.091 4.370 4.460 0.000 0.000 0.280 343 C C 2.558 177.690 174.990 0.237 0.000 1.353 343 C CA 0.739 59.846 59.018 0.149 0.000 1.766 343 C CB -0.816 26.976 27.740 0.087 0.000 1.924 343 C HN 0.684 nan 8.230 nan 0.000 0.509 344 M N 0.705 120.483 119.600 0.296 0.000 2.156 344 M HA -0.040 4.440 4.480 0.000 0.000 0.264 344 M C 1.992 178.399 176.300 0.177 0.000 1.067 344 M CA 1.936 57.464 55.300 0.381 0.000 1.131 344 M CB -0.702 32.238 32.600 0.567 0.000 1.368 344 M HN 0.121 nan 8.290 nan 0.000 0.416 345 V N 0.611 120.547 119.914 0.036 0.000 2.295 345 V HA -0.293 3.827 4.120 0.000 0.000 0.246 345 V C 2.561 178.524 176.094 -0.218 0.000 1.049 345 V CA 2.420 64.603 62.300 -0.195 0.000 1.024 345 V CB -1.708 29.891 31.823 -0.373 0.000 0.648 345 V HN 0.772 nan 8.190 nan 0.000 0.447 346 T N -1.544 112.957 114.554 -0.089 0.000 2.788 346 T HA -0.259 4.091 4.350 0.000 0.000 0.268 346 T C 1.809 176.416 174.700 -0.154 0.000 1.044 346 T CA 1.776 63.813 62.100 -0.106 0.000 1.139 346 T CB -0.677 68.177 68.868 -0.023 0.000 0.867 346 T HN 0.393 nan 8.240 nan 0.000 0.454 347 F N 3.234 123.011 119.950 -0.288 0.000 2.095 347 F HA -0.086 4.441 4.527 0.000 0.000 0.298 347 F C 2.094 177.650 175.800 -0.407 0.000 1.104 347 F CA 1.516 59.236 58.000 -0.467 0.000 1.232 347 F CB -0.509 37.897 39.000 -0.991 0.000 0.987 347 F HN 0.066 nan 8.300 nan 0.000 0.475 348 N N -0.184 118.319 118.700 -0.329 0.000 2.171 348 N HA -0.090 4.650 4.740 0.000 0.000 0.184 348 N C 1.733 176.909 175.510 -0.557 0.000 1.021 348 N CA 1.527 54.313 53.050 -0.440 0.000 0.854 348 N CB -0.203 38.107 38.487 -0.295 0.000 0.994 348 N HN 0.326 nan 8.380 nan 0.000 0.426 349 M N -0.112 119.196 119.600 -0.488 0.000 2.501 349 M HA 0.143 4.623 4.480 0.000 0.000 0.261 349 M C 1.235 177.353 176.300 -0.302 0.000 1.129 349 M CA 0.037 55.098 55.300 -0.398 0.000 1.126 349 M CB -0.644 31.730 32.600 -0.376 0.000 1.359 349 M HN -0.014 nan 8.290 nan 0.000 0.471 350 S N 1.127 116.645 115.700 -0.303 0.000 4.139 350 S HA -0.238 4.232 4.470 0.000 0.000 0.603 350 S C 0.839 175.343 174.600 -0.161 0.000 1.897 350 S CA 1.980 60.029 58.200 -0.252 0.000 4.241 350 S CB -0.420 62.594 63.200 -0.310 0.000 0.221 350 S HN 0.568 nan 8.310 nan 0.000 0.488 351 R N 0.783 121.198 120.500 -0.141 0.000 2.642 351 R HA 0.317 4.657 4.340 0.000 0.000 0.435 351 R C 1.457 177.725 176.300 -0.052 0.000 1.046 351 R CA 0.784 56.845 56.100 -0.065 0.000 1.103 351 R CB 0.030 30.300 30.300 -0.050 0.000 1.425 351 R HN 0.598 nan 8.270 nan 0.000 0.586 352 S N 0.133 115.778 115.700 -0.093 0.000 2.348 352 S HA 0.180 4.650 4.470 0.000 0.000 0.219 352 S C 1.012 175.598 174.600 -0.024 0.000 1.033 352 S CA 0.571 58.717 58.200 -0.091 0.000 0.974 352 S CB 0.242 63.340 63.200 -0.170 0.000 0.868 352 S HN 0.211 nan 8.310 nan 0.000 0.459 353 A N 0.861 123.699 122.820 0.030 0.000 2.375 353 A HA 0.770 5.090 4.320 0.000 0.000 0.295 353 A C -0.060 177.703 177.584 0.298 0.000 1.066 353 A CA -0.226 51.910 52.037 0.165 0.000 0.722 353 A CB 1.472 20.531 19.000 0.097 0.000 1.206 353 A HN 0.835 nan 8.150 nan 0.000 0.435 354 S N 0.682 116.615 115.700 0.389 0.000 3.121 354 S HA 0.705 5.175 4.470 0.000 0.000 0.324 354 S C -0.492 174.477 174.600 0.616 0.000 1.192 354 S CA -0.304 58.158 58.200 0.436 0.000 0.937 354 S CB 0.232 63.733 63.200 0.501 0.000 1.336 354 S HN 0.498 nan 8.310 nan 0.000 0.664 355 F N 0.397 120.496 119.950 0.248 0.000 2.692 355 F HA 0.542 5.069 4.527 0.000 0.000 0.303 355 F C 0.449 176.279 175.800 0.051 0.000 1.114 355 F CA -1.171 56.904 58.000 0.126 0.000 1.361 355 F CB -0.624 38.356 39.000 -0.034 0.000 1.063 355 F HN 0.430 nan 8.300 nan 0.000 0.550 356 F N -1.051 119.233 119.950 0.557 0.000 2.421 356 F HA 0.188 4.716 4.527 0.000 0.000 0.270 356 F C 0.966 176.883 175.800 0.195 0.000 0.894 356 F CA -0.166 58.042 58.000 0.345 0.000 1.128 356 F CB -0.144 38.999 39.000 0.238 0.000 1.011 356 F HN -0.437 nan 8.300 nan 0.000 0.788 357 E N 1.439 121.864 120.200 0.375 0.000 2.290 357 E HA 0.120 4.470 4.350 0.000 0.000 0.277 357 E C 0.843 177.486 176.600 0.071 0.000 1.035 357 E CA 0.405 56.905 56.400 0.167 0.000 0.873 357 E CB 1.016 30.809 29.700 0.154 0.000 1.029 357 E HN 0.260 nan 8.360 nan 0.000 0.419 358 T N -0.746 113.706 114.554 -0.170 0.000 3.148 358 T HA 0.148 4.498 4.350 0.000 0.000 0.253 358 T C 1.240 175.870 174.700 -0.117 0.000 1.134 358 T CA 0.129 61.974 62.100 -0.426 0.000 1.051 358 T CB -0.106 68.409 68.868 -0.587 0.000 0.959 358 T HN 0.668 nan 8.240 nan 0.000 0.525 359 G N 0.918 109.700 108.800 -0.030 0.000 2.273 359 G HA2 -0.238 3.722 3.960 0.000 0.000 0.280 359 G HA3 -0.238 3.722 3.960 0.000 0.000 0.280 359 G C 0.368 175.202 174.900 -0.111 0.000 1.047 359 G CA 0.720 45.779 45.100 -0.069 0.000 0.869 359 G HN 0.615 nan 8.290 nan 0.000 0.502 360 I N -1.539 118.971 120.570 -0.100 0.000 3.738 360 I HA 0.236 4.406 4.170 0.000 0.000 0.250 360 I C 2.625 178.702 176.117 -0.067 0.000 1.117 360 I CA 0.571 61.820 61.300 -0.085 0.000 1.624 360 I CB -0.538 37.411 38.000 -0.085 0.000 1.637 360 I HN 0.103 nan 8.210 nan 0.000 0.431 361 G N 1.845 110.611 108.800 -0.057 0.000 2.421 361 G HA2 -0.037 3.923 3.960 0.000 0.000 0.217 361 G HA3 -0.037 3.923 3.960 0.000 0.000 0.217 361 G C 0.817 175.695 174.900 -0.035 0.000 1.143 361 G CA 0.160 45.239 45.100 -0.034 0.000 0.784 361 G HN 0.190 nan 8.290 nan 0.000 0.541 362 R N 0.002 120.469 120.500 -0.055 0.000 2.407 362 R HA 0.534 4.874 4.340 0.000 0.000 0.303 362 R C 0.585 176.816 176.300 -0.116 0.000 0.981 362 R CA -0.047 56.010 56.100 -0.072 0.000 0.905 362 R CB 1.807 32.068 30.300 -0.065 0.000 1.099 362 R HN 0.156 nan 8.270 nan 0.000 0.459 363 G N 2.334 111.047 108.800 -0.145 0.000 3.434 363 G HA2 0.235 4.195 3.960 0.000 0.000 0.197 363 G HA3 0.235 4.195 3.960 0.000 0.000 0.197 363 G C -0.360 174.354 174.900 -0.311 0.000 1.559 363 G CA -0.432 44.546 45.100 -0.204 0.000 0.852 363 G HN 0.277 nan 8.290 nan 0.000 0.682 364 M N 2.182 121.481 119.600 -0.501 0.000 2.055 364 M HA 0.360 4.840 4.480 0.000 0.000 0.347 364 M C 0.536 176.485 176.300 -0.585 0.000 1.123 364 M CA -1.072 53.818 55.300 -0.684 0.000 1.035 364 M CB 0.230 32.079 32.600 -1.251 0.000 1.484 364 M HN 0.381 nan 8.290 nan 0.000 0.428 365 G N 1.592 110.157 108.800 -0.391 0.000 2.398 365 G HA2 0.188 4.148 3.960 0.000 0.000 0.246 365 G HA3 0.188 4.148 3.960 0.000 0.000 0.246 365 G C 0.447 175.198 174.900 -0.248 0.000 1.289 365 G CA -0.336 44.570 45.100 -0.323 0.000 0.869 365 G HN 0.732 nan 8.290 nan 0.000 0.543 366 F N 2.261 122.035 119.950 -0.293 0.000 2.084 366 F HA -0.067 4.460 4.527 0.000 0.000 0.296 366 F C 2.730 178.477 175.800 -0.089 0.000 1.111 366 F CA 2.004 59.934 58.000 -0.117 0.000 1.224 366 F CB 0.094 39.081 39.000 -0.022 0.000 0.991 366 F HN 0.521 nan 8.300 nan 0.000 0.471 367 R N 0.474 121.005 120.500 0.051 0.000 2.075 367 R HA -0.145 4.195 4.340 0.000 0.000 0.232 367 R C 1.834 177.978 176.300 -0.260 0.000 1.126 367 R CA 2.060 58.110 56.100 -0.084 0.000 0.963 367 R CB -0.821 29.462 30.300 -0.028 0.000 0.858 367 R HN 0.321 nan 8.270 nan 0.000 0.435 368 D N 0.247 120.524 120.400 -0.206 0.000 2.097 368 D HA -0.103 4.537 4.640 0.000 0.000 0.195 368 D C 1.899 178.098 176.300 -0.168 0.000 0.989 368 D CA 1.585 55.493 54.000 -0.153 0.000 0.827 368 D CB -0.086 40.619 40.800 -0.160 0.000 0.966 368 D HN 0.238 nan 8.370 nan 0.000 0.456 369 S N 0.733 116.296 115.700 -0.228 0.000 2.406 369 S HA -0.072 4.398 4.470 0.000 0.000 0.228 369 S C 1.717 176.213 174.600 -0.173 0.000 1.020 369 S CA 0.392 58.451 58.200 -0.235 0.000 0.965 369 S CB -0.042 62.973 63.200 -0.309 0.000 0.798 369 S HN 0.220 nan 8.310 nan 0.000 0.488 370 N N 1.604 120.182 118.700 -0.204 0.000 2.084 370 N HA -0.077 4.663 4.740 0.000 0.000 0.190 370 N C 1.841 177.317 175.510 -0.056 0.000 1.030 370 N CA 1.090 54.061 53.050 -0.132 0.000 0.849 370 N CB -0.285 38.130 38.487 -0.120 0.000 1.012 370 N HN 0.524 nan 8.380 nan 0.000 0.423 371 Q N 0.391 120.128 119.800 -0.104 0.000 2.119 371 Q HA -0.087 4.253 4.340 0.000 0.000 0.201 371 Q C 1.072 177.016 176.000 -0.093 0.000 0.972 371 Q CA 0.924 56.681 55.803 -0.076 0.000 0.847 371 Q CB 0.023 28.753 28.738 -0.015 0.000 0.903 371 Q HN 0.306 nan 8.270 nan 0.000 0.433 372 D N 0.788 121.155 120.400 -0.055 0.000 2.221 372 D HA -0.144 4.496 4.640 0.000 0.000 0.204 372 D C 1.820 178.169 176.300 0.082 0.000 0.982 372 D CA 0.841 54.837 54.000 -0.007 0.000 0.857 372 D CB -0.093 40.696 40.800 -0.019 0.000 0.934 372 D HN 0.247 nan 8.370 nan 0.000 0.475 373 L N 0.343 121.620 121.223 0.091 0.000 2.127 373 L HA -0.163 4.177 4.340 0.000 0.000 0.211 373 L C 2.441 179.393 176.870 0.137 0.000 1.089 373 L CA 0.556 55.503 54.840 0.178 0.000 0.757 373 L CB -0.351 41.789 42.059 0.135 0.000 0.899 373 L HN 0.071 nan 8.230 nan 0.000 0.434 374 L N -0.606 120.628 121.223 0.018 0.000 2.127 374 L HA -0.148 4.192 4.340 0.000 0.000 0.211 374 L C 2.132 179.026 176.870 0.039 0.000 1.089 374 L CA 1.320 56.132 54.840 -0.047 0.000 0.757 374 L CB -0.827 41.047 42.059 -0.309 0.000 0.899 374 L HN 0.340 nan 8.230 nan 0.000 0.434 375 G N -2.360 106.492 108.800 0.087 0.000 3.277 375 G HA2 -0.011 3.949 3.960 0.000 0.000 0.243 375 G HA3 -0.011 3.949 3.960 0.000 0.000 0.243 375 G C 0.855 175.884 174.900 0.214 0.000 1.107 375 G CA -0.227 44.993 45.100 0.200 0.000 0.771 375 G HN 0.268 nan 8.290 nan 0.000 0.544 376 F N 0.824 120.778 119.950 0.006 0.000 2.740 376 F HA 0.125 4.652 4.527 0.000 0.000 0.304 376 F C 2.218 177.885 175.800 -0.222 0.000 1.098 376 F CA 0.537 58.433 58.000 -0.174 0.000 1.258 376 F CB 0.370 39.244 39.000 -0.211 0.000 1.061 376 F HN -0.013 nan 8.300 nan 0.000 0.598 377 V N -0.074 119.835 119.914 -0.009 0.000 2.453 377 V HA -0.319 3.801 4.120 0.000 0.000 0.252 377 V C 2.583 178.560 176.094 -0.194 0.000 1.068 377 V CA 2.490 64.760 62.300 -0.049 0.000 1.070 377 V CB -1.590 30.292 31.823 0.099 0.000 0.664 377 V HN 0.632 nan 8.190 nan 0.000 0.461 378 H N -0.158 118.790 119.070 -0.203 0.000 2.529 378 H HA 0.122 4.678 4.556 0.000 0.000 0.277 378 H C 1.945 177.104 175.328 -0.283 0.000 0.999 378 H CA 1.342 57.287 56.048 -0.171 0.000 1.256 378 H CB -0.301 29.443 29.762 -0.030 0.000 1.402 378 H HN 0.465 nan 8.280 nan 0.000 0.566 379 L N 0.515 121.022 121.223 -1.193 0.000 2.022 379 L HA 0.108 4.449 4.340 0.000 0.000 0.204 379 L C 0.932 177.321 176.870 -0.802 0.000 1.076 379 L CA 1.058 55.263 54.840 -1.059 0.000 0.749 379 L CB 0.075 41.358 42.059 -1.293 0.000 0.903 379 L HN 0.118 nan 8.230 nan 0.000 0.439 380 I N 0.303 120.279 120.570 -0.990 0.000 2.714 380 I HA 0.141 4.311 4.170 0.000 0.000 0.276 380 I C -1.690 174.226 176.117 -0.336 0.000 1.196 380 I CA -1.196 59.782 61.300 -0.537 0.000 1.068 380 I CB 1.700 39.479 38.000 -0.369 0.000 1.291 380 I HN -0.071 nan 8.210 nan 0.000 0.530 381 P HA -0.186 nan 4.420 nan 0.000 0.216 381 P C 0.954 178.348 177.300 0.156 0.000 1.150 381 P CA 1.589 64.695 63.100 0.010 0.000 0.843 381 P CB 0.493 32.161 31.700 -0.052 0.000 0.787 382 E N 0.085 120.327 120.200 0.070 0.000 2.110 382 E HA -0.135 4.215 4.350 0.000 0.000 0.193 382 E C 2.281 178.943 176.600 0.103 0.000 0.988 382 E CA 1.159 57.614 56.400 0.091 0.000 0.804 382 E CB -0.650 29.080 29.700 0.051 0.000 0.745 382 E HN 0.315 nan 8.360 nan 0.000 0.458 383 R N -0.107 120.463 120.500 0.117 0.000 2.153 383 R HA 0.160 4.500 4.340 0.000 0.000 0.218 383 R C 2.161 178.626 176.300 0.275 0.000 1.072 383 R CA 0.838 57.061 56.100 0.205 0.000 0.990 383 R CB -0.098 30.349 30.300 0.244 0.000 0.889 383 R HN 0.151 nan 8.270 nan 0.000 0.452 384 A N 1.208 124.167 122.820 0.232 0.000 1.930 384 A HA -0.146 4.174 4.320 0.000 0.000 0.217 384 A C 2.094 179.689 177.584 0.019 0.000 1.175 384 A CA 0.979 53.166 52.037 0.251 0.000 0.627 384 A CB -0.354 18.822 19.000 0.293 0.000 0.815 384 A HN 0.181 nan 8.150 nan 0.000 0.443 385 R N -0.109 120.331 120.500 -0.100 0.000 2.080 385 R HA -0.207 4.133 4.340 0.000 0.000 0.236 385 R C 2.238 178.437 176.300 -0.169 0.000 1.137 385 R CA 1.958 57.836 56.100 -0.369 0.000 0.943 385 R CB -0.335 29.858 30.300 -0.179 0.000 0.846 385 R HN 0.712 nan 8.270 nan 0.000 0.431 386 E N -0.077 120.105 120.200 -0.031 0.000 2.085 386 E HA -0.283 4.067 4.350 0.000 0.000 0.194 386 E C 2.075 178.666 176.600 -0.015 0.000 0.994 386 E CA 1.354 57.747 56.400 -0.011 0.000 0.801 386 E CB -0.075 29.649 29.700 0.041 0.000 0.743 386 E HN 0.097 nan 8.360 nan 0.000 0.453 387 R N 1.034 121.564 120.500 0.050 0.000 2.091 387 R HA -0.116 4.224 4.340 0.000 0.000 0.238 387 R C 2.172 178.447 176.300 -0.042 0.000 1.136 387 R CA 1.709 57.825 56.100 0.027 0.000 0.959 387 R CB -0.767 29.610 30.300 0.129 0.000 0.856 387 R HN 0.347 nan 8.270 nan 0.000 0.437 388 I N 0.228 120.750 120.570 -0.080 0.000 2.163 388 I HA -0.303 3.867 4.170 0.000 0.000 0.243 388 I C 1.820 177.854 176.117 -0.138 0.000 1.085 388 I CA 1.061 62.283 61.300 -0.130 0.000 1.347 388 I CB -0.334 37.542 38.000 -0.207 0.000 1.044 388 I HN 0.149 nan 8.210 nan 0.000 0.408 389 I N 0.546 121.033 120.570 -0.139 0.000 2.179 389 I HA -0.286 3.885 4.170 0.000 0.000 0.242 389 I C 2.207 178.233 176.117 -0.151 0.000 1.088 389 I CA 1.705 62.918 61.300 -0.145 0.000 1.357 389 I CB -1.433 36.498 38.000 -0.115 0.000 1.051 389 I HN 0.270 nan 8.210 nan 0.000 0.409 390 D N 0.874 121.191 120.400 -0.138 0.000 2.117 390 D HA -0.134 4.506 4.640 0.000 0.000 0.197 390 D C 2.386 178.562 176.300 -0.207 0.000 0.987 390 D CA 1.139 55.012 54.000 -0.211 0.000 0.829 390 D CB -0.083 40.585 40.800 -0.219 0.000 0.961 390 D HN 0.331 nan 8.370 nan 0.000 0.460 391 I N 1.176 121.704 120.570 -0.071 0.000 2.142 391 I HA -0.239 3.931 4.170 0.000 0.000 0.240 391 I C 2.482 178.640 176.117 0.069 0.000 1.078 391 I CA 1.051 62.366 61.300 0.026 0.000 1.343 391 I CB -0.275 37.635 38.000 -0.149 0.000 1.046 391 I HN -0.085 nan 8.210 nan 0.000 0.405 392 A N -0.044 122.746 122.820 -0.051 0.000 2.024 392 A HA -0.177 4.143 4.320 0.000 0.000 0.220 392 A C 2.365 179.875 177.584 -0.123 0.000 1.164 392 A CA 1.930 53.912 52.037 -0.093 0.000 0.643 392 A CB -0.609 18.173 19.000 -0.364 0.000 0.806 392 A HN 0.408 nan 8.150 nan 0.000 0.451 393 S N -0.492 115.136 115.700 -0.120 0.000 2.515 393 S HA -0.063 4.407 4.470 0.000 0.000 0.231 393 S C 1.732 176.344 174.600 0.020 0.000 0.987 393 S CA 1.415 59.570 58.200 -0.075 0.000 0.936 393 S CB -0.322 62.806 63.200 -0.121 0.000 0.766 393 S HN 0.892 nan 8.310 nan 0.000 0.528 394 T N -0.900 113.694 114.554 0.067 0.000 3.105 394 T HA 0.216 4.566 4.350 0.000 0.000 0.253 394 T C 0.302 174.964 174.700 -0.063 0.000 1.047 394 T CA -0.365 61.787 62.100 0.087 0.000 0.944 394 T CB -0.032 68.951 68.868 0.192 0.000 1.016 394 T HN 0.323 nan 8.240 nan 0.000 0.544 395 Q N 0.486 120.317 119.800 0.051 0.000 2.259 395 Q HA 0.475 4.816 4.340 0.000 0.000 0.246 395 Q C -1.177 174.838 176.000 0.025 0.000 0.920 395 Q CA -0.804 54.990 55.803 -0.014 0.000 0.895 395 Q CB 0.522 29.474 28.738 0.357 0.000 1.220 395 Q HN 0.331 nan 8.270 nan 0.000 0.439 396 F N 0.858 120.895 119.950 0.146 0.000 2.378 396 F HA 0.378 4.905 4.527 0.000 0.000 0.325 396 F C 1.175 176.848 175.800 -0.212 0.000 1.097 396 F CA -0.231 57.777 58.000 0.015 0.000 1.079 396 F CB 0.845 39.782 39.000 -0.106 0.000 1.240 396 F HN 0.812 nan 8.300 nan 0.000 0.519 397 A N 0.785 123.368 122.820 -0.396 0.000 2.024 397 A HA -0.213 4.107 4.320 0.000 0.000 0.220 397 A C 1.716 179.046 177.584 -0.425 0.000 1.164 397 A CA 1.962 53.382 52.037 -1.028 0.000 0.643 397 A CB -0.974 17.572 19.000 -0.758 0.000 0.806 397 A HN 0.791 nan 8.150 nan 0.000 0.451 398 D N -2.456 117.867 120.400 -0.127 0.000 2.349 398 D HA 0.263 4.903 4.640 0.000 0.000 0.224 398 D C 1.207 177.608 176.300 0.168 0.000 1.029 398 D CA 1.176 55.186 54.000 0.017 0.000 0.879 398 D CB -0.367 40.470 40.800 0.062 0.000 0.906 398 D HN 0.763 nan 8.370 nan 0.000 0.528 399 G N 0.097 108.960 108.800 0.105 0.000 2.284 399 G HA2 -0.278 3.682 3.960 0.000 0.000 0.216 399 G HA3 -0.278 3.682 3.960 0.000 0.000 0.216 399 G C 0.526 175.378 174.900 -0.081 0.000 1.009 399 G CA 0.313 45.485 45.100 0.119 0.000 0.625 399 G HN 0.806 nan 8.290 nan 0.000 0.501 400 S N 0.350 115.960 115.700 -0.149 0.000 2.617 400 S HA 0.856 5.326 4.470 0.000 0.000 0.259 400 S C 0.243 174.800 174.600 -0.072 0.000 1.301 400 S CA 0.950 58.958 58.200 -0.320 0.000 0.984 400 S CB 1.995 65.081 63.200 -0.190 0.000 0.954 400 S HN 2.222 nan 8.310 nan 0.000 0.572 401 A N -0.225 122.478 122.820 -0.194 0.000 2.610 401 A HA 0.590 4.910 4.320 0.000 0.000 0.291 401 A C -1.533 175.878 177.584 -0.289 0.000 1.086 401 A CA -0.894 50.844 52.037 -0.499 0.000 0.677 401 A CB 0.164 18.622 19.000 -0.904 0.000 1.278 401 A HN 0.709 nan 8.150 nan 0.000 0.414 402 Y N 0.843 120.924 120.300 -0.365 0.000 2.712 402 Y HA 0.074 4.624 4.550 0.000 0.000 0.333 402 Y C 1.730 177.664 175.900 0.057 0.000 1.225 402 Y CA 1.620 59.721 58.100 0.002 0.000 1.499 402 Y CB 0.375 38.835 38.460 0.000 0.000 1.288 402 Y HN 0.950 nan 8.280 nan 0.000 0.575 403 H N 1.484 120.718 119.070 0.272 0.000 2.521 403 H HA -0.014 4.542 4.556 0.000 0.000 0.286 403 H C -0.063 175.358 175.328 0.155 0.000 1.034 403 H CA 1.486 57.640 56.048 0.177 0.000 1.278 403 H CB 0.415 30.282 29.762 0.175 0.000 1.386 403 H HN 0.742 nan 8.280 nan 0.000 0.567 404 Q N -1.741 118.162 119.800 0.171 0.000 2.756 404 Q HA 0.266 4.606 4.340 0.000 0.000 0.295 404 Q C -1.749 174.296 176.000 0.074 0.000 0.903 404 Q CA -1.271 54.538 55.803 0.010 0.000 0.768 404 Q CB 1.447 30.132 28.738 -0.088 0.000 1.472 404 Q HN 0.155 nan 8.270 nan 0.000 0.416 405 Y N -1.352 118.920 120.300 -0.047 0.000 2.545 405 Y HA 0.631 5.181 4.550 0.000 0.000 0.348 405 Y C -0.905 174.933 175.900 -0.103 0.000 1.002 405 Y CA -1.354 56.686 58.100 -0.099 0.000 1.039 405 Y CB 1.660 40.070 38.460 -0.083 0.000 1.271 405 Y HN 0.729 nan 8.280 nan 0.000 0.467 406 Q N 4.213 124.107 119.800 0.155 0.000 2.286 406 Q HA 0.308 4.648 4.340 0.000 0.000 0.267 406 Q C -2.092 174.001 176.000 0.155 0.000 1.028 406 Q CA -1.843 54.002 55.803 0.069 0.000 0.901 406 Q CB 1.271 30.022 28.738 0.022 0.000 1.183 406 Q HN 0.531 nan 8.270 nan 0.000 0.392 407 P HA -0.213 nan 4.420 nan 0.000 0.216 407 P C 0.764 178.088 177.300 0.040 0.000 1.153 407 P CA 0.835 63.966 63.100 0.051 0.000 0.858 407 P CB 0.126 31.787 31.700 -0.065 0.000 0.789 408 L N -0.635 120.592 121.223 0.006 0.000 2.093 408 L HA -0.101 4.239 4.340 0.000 0.000 0.208 408 L C 1.977 178.847 176.870 0.000 0.000 1.085 408 L CA 2.560 57.395 54.840 -0.008 0.000 0.755 408 L CB -1.464 40.596 42.059 0.001 0.000 0.904 408 L HN 0.085 nan 8.230 nan 0.000 0.435 409 T N -5.662 108.896 114.554 0.007 0.000 3.001 409 T HA 0.107 4.457 4.350 0.000 0.000 0.251 409 T C 0.921 175.587 174.700 -0.057 0.000 1.040 409 T CA 0.077 62.168 62.100 -0.014 0.000 0.985 409 T CB -0.107 68.755 68.868 -0.010 0.000 1.011 409 T HN 0.320 nan 8.240 nan 0.000 0.509 410 K N 1.007 121.374 120.400 -0.054 0.000 3.088 410 K HA -0.154 4.166 4.320 0.000 0.000 0.273 410 K C -0.515 175.887 176.600 -0.331 0.000 1.111 410 K CA 0.468 56.573 56.287 -0.304 0.000 0.803 410 K CB -1.138 31.145 32.500 -0.363 0.000 1.226 410 K HN 0.533 nan 8.250 nan 0.000 0.485 411 R N 0.292 120.717 120.500 -0.125 0.000 2.445 411 R HA 0.344 4.684 4.340 0.000 0.000 0.308 411 R C 0.629 176.839 176.300 -0.150 0.000 0.961 411 R CA -0.272 55.750 56.100 -0.131 0.000 0.862 411 R CB 1.680 31.924 30.300 -0.093 0.000 1.144 411 R HN 0.169 nan 8.270 nan 0.000 0.447 412 G N 1.520 110.130 108.800 -0.317 0.000 2.606 412 G HA2 0.191 4.151 3.960 0.000 0.000 0.252 412 G HA3 0.191 4.151 3.960 0.000 0.000 0.252 412 G C -0.246 173.973 174.900 -1.135 0.000 1.206 412 G CA -0.325 44.396 45.100 -0.632 0.000 0.861 412 G HN 0.776 nan 8.290 nan 0.000 0.561 413 N N -1.704 116.609 118.700 -0.644 0.000 2.825 413 N HA 0.235 4.975 4.740 0.000 0.000 0.253 413 N C -0.525 175.118 175.510 0.221 0.000 1.426 413 N CA -0.997 51.915 53.050 -0.230 0.000 0.851 413 N CB 1.123 39.560 38.487 -0.083 0.000 1.470 413 N HN 0.195 nan 8.380 nan 0.000 0.517 414 N N -0.261 118.616 118.700 0.296 0.000 2.273 414 N HA 0.083 4.823 4.740 0.000 0.000 0.231 414 N C -0.482 175.145 175.510 0.195 0.000 1.134 414 N CA -0.020 53.212 53.050 0.304 0.000 0.856 414 N CB 0.145 38.799 38.487 0.279 0.000 1.068 414 N HN 0.533 nan 8.380 nan 0.000 0.510 415 D N 0.877 121.363 120.400 0.144 0.000 2.190 415 D HA -0.122 4.518 4.640 0.000 0.000 0.200 415 D C 1.526 177.893 176.300 0.112 0.000 0.992 415 D CA 0.983 55.042 54.000 0.100 0.000 0.854 415 D CB 0.161 40.997 40.800 0.060 0.000 0.936 415 D HN 0.573 nan 8.370 nan 0.000 0.462 416 I N -3.912 116.754 120.570 0.159 0.000 3.762 416 I HA 0.556 4.726 4.170 0.000 0.000 0.333 416 I C 0.518 176.791 176.117 0.261 0.000 1.566 416 I CA -0.408 60.997 61.300 0.175 0.000 1.129 416 I CB 0.418 38.511 38.000 0.155 0.000 1.218 416 I HN -0.066 nan 8.210 nan 0.000 0.456 417 G N 0.633 109.589 108.800 0.260 0.000 2.440 417 G HA2 0.135 4.095 3.960 0.000 0.000 0.684 417 G HA3 0.135 4.095 3.960 0.000 0.000 0.684 417 G C -1.179 173.915 174.900 0.324 0.000 1.309 417 G CA -0.138 45.139 45.100 0.295 0.000 0.931 417 G HN 0.398 nan 8.290 nan 0.000 0.612 418 S N -1.505 114.230 115.700 0.058 0.000 2.607 418 S HA 0.807 5.277 4.470 0.000 0.000 0.273 418 S C 0.755 175.213 174.600 -0.237 0.000 1.148 418 S CA 1.171 59.398 58.200 0.044 0.000 0.833 418 S CB 1.197 64.424 63.200 0.045 0.000 1.130 418 S HN 2.844 nan 8.310 nan 0.000 0.470 419 G N 1.651 110.400 108.800 -0.084 0.000 2.272 419 G HA2 -0.214 3.746 3.960 0.000 0.000 0.280 419 G HA3 -0.214 3.746 3.960 0.000 0.000 0.280 419 G C -0.384 174.380 174.900 -0.226 0.000 1.067 419 G CA 0.106 45.128 45.100 -0.131 0.000 0.902 419 G HN 0.506 nan 8.290 nan 0.000 0.500 420 F N 0.488 120.418 119.950 -0.033 0.000 2.375 420 F HA 0.353 4.880 4.527 0.000 0.000 0.362 420 F C 1.309 177.142 175.800 0.054 0.000 1.129 420 F CA -1.011 56.990 58.000 0.002 0.000 1.154 420 F CB 0.995 39.985 39.000 -0.018 0.000 1.205 420 F HN -0.013 nan 8.300 nan 0.000 0.513 421 N N 1.779 120.595 118.700 0.193 0.000 2.609 421 N HA -0.139 4.601 4.740 0.000 0.000 0.190 421 N C 1.417 177.048 175.510 0.202 0.000 1.157 421 N CA 0.716 53.875 53.050 0.181 0.000 0.918 421 N CB -0.203 38.427 38.487 0.239 0.000 0.978 421 N HN 0.614 nan 8.380 nan 0.000 0.448 422 D N -0.884 119.691 120.400 0.292 0.000 2.327 422 D HA -0.048 4.592 4.640 0.000 0.000 0.205 422 D C 0.708 177.191 176.300 0.305 0.000 0.989 422 D CA 0.156 54.331 54.000 0.292 0.000 0.873 422 D CB -0.084 41.007 40.800 0.485 0.000 0.955 422 D HN -0.097 nan 8.370 nan 0.000 0.515 423 D N 2.137 122.799 120.400 0.437 0.000 2.126 423 D HA -0.136 4.504 4.640 0.000 0.000 0.190 423 D C -0.665 175.933 176.300 0.498 0.000 1.001 423 D CA 1.468 55.807 54.000 0.566 0.000 0.841 423 D CB -1.368 39.618 40.800 0.309 0.000 0.949 423 D HN 0.258 nan 8.370 nan 0.000 0.446 424 P HA -0.125 nan 4.420 nan 0.000 0.216 424 P C 1.722 179.175 177.300 0.256 0.000 1.157 424 P CA 0.952 64.152 63.100 0.168 0.000 0.880 424 P CB -0.099 31.562 31.700 -0.065 0.000 0.791 425 L N -3.208 118.107 121.223 0.153 0.000 2.265 425 L HA -0.110 4.230 4.340 0.000 0.000 0.215 425 L C 2.270 179.164 176.870 0.040 0.000 1.117 425 L CA 1.198 56.098 54.840 0.099 0.000 0.782 425 L CB -0.879 41.206 42.059 0.044 0.000 0.914 425 L HN 0.073 nan 8.230 nan 0.000 0.441 426 W N -0.436 120.995 121.300 0.217 0.000 2.465 426 W HA -0.172 4.488 4.660 0.000 0.000 0.268 426 W C 2.281 178.796 176.519 -0.007 0.000 1.242 426 W CA -0.191 57.211 57.345 0.095 0.000 1.248 426 W CB -0.076 29.509 29.460 0.209 0.000 1.118 426 W HN 0.109 nan 8.180 nan 0.000 0.587 427 L N 0.468 121.863 121.223 0.287 0.000 2.093 427 L HA -0.134 4.206 4.340 0.000 0.000 0.208 427 L C 1.955 178.894 176.870 0.115 0.000 1.085 427 L CA 1.846 56.772 54.840 0.143 0.000 0.755 427 L CB -0.638 41.571 42.059 0.251 0.000 0.904 427 L HN 0.009 nan 8.230 nan 0.000 0.435 428 I N -0.677 119.968 120.570 0.124 0.000 2.315 428 I HA -0.243 3.927 4.170 0.000 0.000 0.248 428 I C 2.567 178.705 176.117 0.036 0.000 1.117 428 I CA 0.955 62.333 61.300 0.130 0.000 1.404 428 I CB -0.672 37.448 38.000 0.199 0.000 1.071 428 I HN 0.333 nan 8.210 nan 0.000 0.419 429 A N 1.167 123.854 122.820 -0.221 0.000 1.877 429 A HA -0.142 4.178 4.320 0.000 0.000 0.216 429 A C 2.455 180.037 177.584 -0.004 0.000 1.186 429 A CA 2.026 53.830 52.037 -0.389 0.000 0.620 429 A CB -1.454 17.129 19.000 -0.696 0.000 0.822 429 A HN 0.444 nan 8.150 nan 0.000 0.443 430 G N -0.713 108.113 108.800 0.044 0.000 2.418 430 G HA2 -0.096 3.864 3.960 0.000 0.000 0.217 430 G HA3 -0.096 3.864 3.960 0.000 0.000 0.217 430 G C 1.506 176.470 174.900 0.106 0.000 1.158 430 G CA 1.267 46.409 45.100 0.070 0.000 0.771 430 G HN 0.331 nan 8.290 nan 0.000 0.545 431 V N 1.531 121.509 119.914 0.106 0.000 2.358 431 V HA -0.094 4.026 4.120 0.000 0.000 0.246 431 V C 3.314 179.524 176.094 0.194 0.000 1.047 431 V CA 1.910 64.299 62.300 0.148 0.000 1.035 431 V CB -0.831 31.079 31.823 0.145 0.000 0.658 431 V HN 0.475 nan 8.190 nan 0.000 0.452 432 A N 0.251 123.185 122.820 0.190 0.000 1.883 432 A HA -0.165 4.155 4.320 0.000 0.000 0.217 432 A C 2.460 180.104 177.584 0.100 0.000 1.186 432 A CA 2.277 54.442 52.037 0.214 0.000 0.624 432 A CB -0.924 18.242 19.000 0.277 0.000 0.822 432 A HN 0.573 nan 8.150 nan 0.000 0.444 433 A N -1.494 121.388 122.820 0.104 0.000 1.908 433 A HA -0.170 4.150 4.320 0.000 0.000 0.218 433 A C 2.178 179.784 177.584 0.037 0.000 1.181 433 A CA 1.799 53.869 52.037 0.055 0.000 0.627 433 A CB -0.896 18.151 19.000 0.080 0.000 0.818 433 A HN 0.824 nan 8.150 nan 0.000 0.445 434 Y N 0.321 120.609 120.300 -0.021 0.000 2.181 434 Y HA -0.160 4.390 4.550 0.000 0.000 0.288 434 Y C 1.982 177.821 175.900 -0.102 0.000 1.146 434 Y CA 1.845 59.920 58.100 -0.041 0.000 1.164 434 Y CB -0.166 38.285 38.460 -0.015 0.000 0.982 434 Y HN 0.270 nan 8.280 nan 0.000 0.515 435 I N 0.178 120.665 120.570 -0.138 0.000 2.252 435 I HA -0.278 3.892 4.170 0.000 0.000 0.245 435 I C 2.227 178.115 176.117 -0.383 0.000 1.102 435 I CA 1.426 62.498 61.300 -0.380 0.000 1.385 435 I CB -0.392 37.363 38.000 -0.408 0.000 1.064 435 I HN 0.183 nan 8.210 nan 0.000 0.414 436 K N 0.470 120.691 120.400 -0.298 0.000 2.057 436 K HA -0.253 4.067 4.320 0.000 0.000 0.207 436 K C 2.040 178.522 176.600 -0.196 0.000 1.049 436 K CA 1.670 57.775 56.287 -0.303 0.000 0.931 436 K CB -0.139 32.128 32.500 -0.390 0.000 0.714 436 K HN 0.164 nan 8.250 nan 0.000 0.440 437 E N 0.932 120.996 120.200 -0.227 0.000 2.047 437 E HA -0.134 4.216 4.350 0.000 0.000 0.191 437 E C 1.841 178.257 176.600 -0.306 0.000 0.987 437 E CA 2.014 58.288 56.400 -0.211 0.000 0.799 437 E CB 0.026 29.626 29.700 -0.168 0.000 0.752 437 E HN 0.238 nan 8.360 nan 0.000 0.449 438 S N -1.796 113.626 115.700 -0.463 0.000 2.492 438 S HA 0.255 4.725 4.470 0.000 0.000 0.218 438 S C 1.708 176.093 174.600 -0.359 0.000 1.016 438 S CA 0.423 58.350 58.200 -0.455 0.000 0.916 438 S CB 0.254 63.048 63.200 -0.678 0.000 0.791 438 S HN 0.602 nan 8.310 nan 0.000 0.513 439 G N 1.782 110.358 108.800 -0.374 0.000 2.153 439 G HA2 -0.263 3.697 3.960 0.000 0.000 0.252 439 G HA3 -0.263 3.697 3.960 0.000 0.000 0.252 439 G C -0.147 174.640 174.900 -0.188 0.000 0.994 439 G CA 0.276 45.236 45.100 -0.233 0.000 0.698 439 G HN 0.655 nan 8.290 nan 0.000 0.521 440 D N -0.205 120.028 120.400 -0.279 0.000 2.551 440 D HA 0.323 4.963 4.640 0.000 0.000 0.223 440 D C 1.223 177.532 176.300 0.016 0.000 1.144 440 D CA -0.820 53.149 54.000 -0.051 0.000 1.025 440 D CB -0.505 40.318 40.800 0.039 0.000 1.085 440 D HN 0.445 nan 8.370 nan 0.000 0.506 441 W N 1.858 123.216 121.300 0.096 0.000 2.465 441 W HA 0.078 4.738 4.660 0.000 0.000 0.268 441 W C 2.449 179.029 176.519 0.103 0.000 1.242 441 W CA 0.590 57.996 57.345 0.103 0.000 1.248 441 W CB -0.128 29.363 29.460 0.052 0.000 1.118 441 W HN 0.447 nan 8.180 nan 0.000 0.587 442 G N 0.679 109.648 108.800 0.283 0.000 2.450 442 G HA2 -0.303 3.657 3.960 0.000 0.000 0.220 442 G HA3 -0.303 3.657 3.960 0.000 0.000 0.220 442 G C 1.485 176.490 174.900 0.174 0.000 1.130 442 G CA 0.982 46.200 45.100 0.197 0.000 0.760 442 G HN 0.349 nan 8.290 nan 0.000 0.557 443 I N 0.324 121.006 120.570 0.186 0.000 2.315 443 I HA -0.165 4.005 4.170 0.000 0.000 0.251 443 I C 2.369 178.572 176.117 0.145 0.000 1.125 443 I CA 0.923 62.306 61.300 0.139 0.000 1.392 443 I CB 0.049 38.126 38.000 0.129 0.000 1.065 443 I HN 0.153 nan 8.210 nan 0.000 0.424 444 L N 0.232 121.580 121.223 0.209 0.000 2.353 444 L HA -0.190 4.150 4.340 0.000 0.000 0.220 444 L C 1.501 178.506 176.870 0.225 0.000 1.133 444 L CA 0.789 55.786 54.840 0.261 0.000 0.798 444 L CB -0.617 41.643 42.059 0.334 0.000 0.922 444 L HN 0.274 nan 8.230 nan 0.000 0.445 445 D N -0.783 119.716 120.400 0.166 0.000 2.346 445 D HA -0.031 4.610 4.640 0.000 0.000 0.206 445 D C 0.772 177.135 176.300 0.105 0.000 1.001 445 D CA 0.228 54.306 54.000 0.131 0.000 0.871 445 D CB 0.148 41.011 40.800 0.104 0.000 0.943 445 D HN 0.140 nan 8.370 nan 0.000 0.518 446 E N 1.996 122.250 120.200 0.091 0.000 2.558 446 E HA 0.023 4.373 4.350 0.000 0.000 0.255 446 E C -2.491 174.137 176.600 0.046 0.000 0.968 446 E CA -1.203 55.229 56.400 0.053 0.000 0.939 446 E CB 0.678 30.393 29.700 0.024 0.000 0.921 446 E HN -0.063 nan 8.360 nan 0.000 0.477 447 P HA 0.066 nan 4.420 nan 0.000 0.271 447 P C -1.244 176.052 177.300 -0.006 0.000 1.220 447 P CA -0.058 63.061 63.100 0.031 0.000 0.768 447 P CB 0.827 32.545 31.700 0.030 0.000 0.848 448 V N 6.068 125.974 119.914 -0.012 0.000 2.612 448 V HA 0.375 4.495 4.120 0.000 0.000 0.301 448 V C -2.168 173.902 176.094 -0.040 0.000 1.059 448 V CA -1.952 60.297 62.300 -0.086 0.000 0.886 448 V CB 2.348 33.988 31.823 -0.305 0.000 1.007 448 V HN 0.500 nan 8.190 nan 0.000 0.426 449 P HA 0.380 nan 4.420 nan 0.000 0.276 449 P C -1.175 176.073 177.300 -0.086 0.000 1.261 449 P CA -0.322 62.739 63.100 -0.064 0.000 0.800 449 P CB 0.929 32.638 31.700 0.013 0.000 1.066 450 F N -0.316 119.747 119.950 0.188 0.000 2.427 450 F HA 0.196 4.724 4.527 0.000 0.000 0.346 450 F C 1.022 176.909 175.800 0.144 0.000 1.120 450 F CA 0.160 58.267 58.000 0.180 0.000 1.033 450 F CB 0.099 39.172 39.000 0.123 0.000 1.126 450 F HN 0.374 nan 8.300 nan 0.000 0.462 451 D N 2.699 123.266 120.400 0.278 0.000 2.686 451 D HA -0.320 4.320 4.640 0.000 0.000 0.235 451 D C 0.301 176.711 176.300 0.182 0.000 1.160 451 D CA 1.255 55.392 54.000 0.229 0.000 0.645 451 D CB -1.252 39.765 40.800 0.363 0.000 1.039 451 D HN 0.814 nan 8.370 nan 0.000 0.423 452 N N -1.250 117.516 118.700 0.110 0.000 2.678 452 N HA -0.256 4.484 4.740 0.000 0.000 0.250 452 N C -0.950 174.607 175.510 0.080 0.000 1.136 452 N CA 1.316 54.402 53.050 0.059 0.000 0.757 452 N CB -0.380 38.120 38.487 0.022 0.000 1.135 452 N HN 0.474 nan 8.380 nan 0.000 0.565 453 E N 1.081 121.356 120.200 0.124 0.000 2.220 453 E HA 0.080 4.430 4.350 0.000 0.000 0.272 453 E C -2.067 174.588 176.600 0.092 0.000 1.099 453 E CA -1.414 55.057 56.400 0.119 0.000 0.907 453 E CB 0.190 29.985 29.700 0.158 0.000 1.022 453 E HN 0.304 nan 8.360 nan 0.000 0.428 454 P HA -0.002 nan 4.420 nan 0.000 0.267 454 P C 0.757 178.096 177.300 0.064 0.000 1.205 454 P CA 0.471 63.604 63.100 0.055 0.000 0.765 454 P CB 0.812 32.538 31.700 0.044 0.000 0.828 455 G N 2.905 111.742 108.800 0.061 0.000 2.194 455 G HA2 -0.287 3.673 3.960 0.000 0.000 0.236 455 G HA3 -0.287 3.673 3.960 0.000 0.000 0.236 455 G C 0.815 175.767 174.900 0.087 0.000 0.987 455 G CA 0.390 45.530 45.100 0.067 0.000 0.635 455 G HN 0.674 nan 8.290 nan 0.000 0.520 456 S N -0.016 115.747 115.700 0.106 0.000 2.556 456 S HA 0.435 4.905 4.470 0.000 0.000 0.216 456 S C 0.538 175.209 174.600 0.118 0.000 0.970 456 S CA 0.627 58.922 58.200 0.158 0.000 0.912 456 S CB 0.514 63.855 63.200 0.235 0.000 0.790 456 S HN 0.425 nan 8.310 nan 0.000 0.504 457 E N 1.272 121.508 120.200 0.060 0.000 2.534 457 E HA 0.339 4.689 4.350 0.000 0.000 0.264 457 E C -0.668 175.950 176.600 0.031 0.000 0.981 457 E CA 0.404 56.816 56.400 0.019 0.000 0.948 457 E CB 0.625 30.343 29.700 0.029 0.000 0.934 457 E HN 0.200 nan 8.360 nan 0.000 0.459 458 V N 4.507 124.419 119.914 -0.003 0.000 3.048 458 V HA 0.331 4.451 4.120 0.000 0.000 0.303 458 V C -2.476 173.682 176.094 0.106 0.000 1.214 458 V CA -2.288 60.041 62.300 0.049 0.000 0.984 458 V CB 2.643 34.475 31.823 0.015 0.000 1.054 458 V HN 0.537 nan 8.190 nan 0.000 0.430 459 P HA 0.075 nan 4.420 nan 0.000 0.265 459 P C 1.005 178.462 177.300 0.262 0.000 1.187 459 P CA 0.322 63.537 63.100 0.191 0.000 0.766 459 P CB 0.521 32.352 31.700 0.219 0.000 0.820 460 L N 3.265 124.615 121.223 0.212 0.000 2.021 460 L HA -0.246 4.095 4.340 0.000 0.000 0.215 460 L C 1.979 179.025 176.870 0.292 0.000 1.074 460 L CA 1.923 56.877 54.840 0.189 0.000 0.760 460 L CB -0.534 41.588 42.059 0.105 0.000 0.889 460 L HN 0.367 nan 8.230 nan 0.000 0.433 461 F N 1.264 121.336 119.950 0.203 0.000 2.154 461 F HA -0.326 4.201 4.527 0.000 0.000 0.301 461 F C 2.408 178.381 175.800 0.288 0.000 1.087 461 F CA 2.105 60.248 58.000 0.238 0.000 1.274 461 F CB -0.078 39.039 39.000 0.195 0.000 1.009 461 F HN 0.175 nan 8.300 nan 0.000 0.485 462 E N -0.463 119.906 120.200 0.282 0.000 2.153 462 E HA -0.234 4.116 4.350 0.000 0.000 0.194 462 E C 2.115 178.807 176.600 0.154 0.000 0.988 462 E CA 1.724 58.244 56.400 0.200 0.000 0.811 462 E CB -0.591 29.255 29.700 0.244 0.000 0.746 462 E HN 0.569 nan 8.360 nan 0.000 0.466 463 H N -0.251 118.897 119.070 0.130 0.000 2.389 463 H HA -0.044 4.512 4.556 0.000 0.000 0.299 463 H C 2.082 177.482 175.328 0.120 0.000 1.081 463 H CA 1.525 57.683 56.048 0.184 0.000 1.345 463 H CB 0.087 29.916 29.762 0.112 0.000 1.393 463 H HN 0.242 nan 8.280 nan 0.000 0.520 464 L N 0.553 121.859 121.223 0.138 0.000 2.083 464 L HA -0.154 4.186 4.340 0.000 0.000 0.209 464 L C 2.919 179.718 176.870 -0.120 0.000 1.083 464 L CA 1.669 56.532 54.840 0.039 0.000 0.752 464 L CB -0.717 41.355 42.059 0.022 0.000 0.899 464 L HN 0.392 nan 8.230 nan 0.000 0.433 465 T N -2.664 111.787 114.554 -0.171 0.000 2.746 465 T HA -0.165 4.186 4.350 0.000 0.000 0.267 465 T C 2.083 176.790 174.700 0.010 0.000 1.039 465 T CA 0.582 62.594 62.100 -0.148 0.000 1.142 465 T CB -0.233 68.669 68.868 0.057 0.000 0.866 465 T HN 0.141 nan 8.240 nan 0.000 0.444 466 R N 1.582 122.132 120.500 0.084 0.000 2.091 466 R HA 0.048 4.388 4.340 0.000 0.000 0.238 466 R C 2.946 179.337 176.300 0.152 0.000 1.136 466 R CA 1.467 57.640 56.100 0.121 0.000 0.959 466 R CB -1.469 28.913 30.300 0.137 0.000 0.856 466 R HN 0.490 nan 8.270 nan 0.000 0.437 467 S N 0.991 116.781 115.700 0.150 0.000 2.348 467 S HA -0.133 4.337 4.470 0.000 0.000 0.221 467 S C 1.686 176.395 174.600 0.182 0.000 1.033 467 S CA 1.293 59.593 58.200 0.167 0.000 1.010 467 S CB -0.431 62.878 63.200 0.180 0.000 0.891 467 S HN 0.326 nan 8.310 nan 0.000 0.442 468 F N 2.477 122.375 119.950 -0.087 0.000 2.069 468 F HA -0.199 4.328 4.527 0.000 0.000 0.298 468 F C 2.615 178.449 175.800 0.057 0.000 1.113 468 F CA 1.554 59.495 58.000 -0.098 0.000 1.214 468 F CB -0.242 38.349 39.000 -0.681 0.000 0.978 468 F HN 0.093 nan 8.300 nan 0.000 0.474 469 Q N -0.334 119.510 119.800 0.074 0.000 2.226 469 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 469 Q C 2.122 178.072 176.000 -0.084 0.000 0.975 469 Q CA 1.483 57.275 55.803 -0.019 0.000 0.866 469 Q CB -0.945 27.842 28.738 0.083 0.000 0.915 469 Q HN 0.577 nan 8.270 nan 0.000 0.440 470 F N 1.390 121.278 119.950 -0.102 0.000 2.126 470 F HA -0.218 4.309 4.527 0.000 0.000 0.299 470 F C 2.090 177.787 175.800 -0.172 0.000 1.096 470 F CA 1.746 59.685 58.000 -0.102 0.000 1.255 470 F CB -0.196 38.782 39.000 -0.036 0.000 0.997 470 F HN 0.002 nan 8.300 nan 0.000 0.479 471 T N -0.172 114.394 114.554 0.019 0.000 2.777 471 T HA -0.127 4.223 4.350 0.000 0.000 0.266 471 T C 2.197 176.573 174.700 -0.541 0.000 1.040 471 T CA 1.389 63.365 62.100 -0.206 0.000 1.141 471 T CB -0.630 68.126 68.868 -0.187 0.000 0.868 471 T HN 0.110 nan 8.240 nan 0.000 0.444 472 V N 1.767 121.298 119.914 -0.639 0.000 2.287 472 V HA -0.195 3.925 4.120 0.000 0.000 0.248 472 V C 2.171 177.924 176.094 -0.568 0.000 1.053 472 V CA 1.724 63.565 62.300 -0.765 0.000 1.027 472 V CB -0.571 30.743 31.823 -0.848 0.000 0.646 472 V HN 0.557 nan 8.190 nan 0.000 0.447 473 Q N 0.017 119.544 119.800 -0.455 0.000 2.282 473 Q HA 0.121 4.461 4.340 0.000 0.000 0.205 473 Q C -0.002 175.750 176.000 -0.413 0.000 0.915 473 Q CA 0.069 55.645 55.803 -0.379 0.000 0.949 473 Q CB 0.061 28.614 28.738 -0.307 0.000 1.035 473 Q HN 0.559 nan 8.270 nan 0.000 0.484 474 N N 0.933 119.367 118.700 -0.443 0.000 2.664 474 N HA 0.205 4.946 4.740 0.000 0.000 0.287 474 N C -1.141 174.195 175.510 -0.290 0.000 1.869 474 N CA -0.044 52.767 53.050 -0.400 0.000 0.832 474 N CB 0.871 39.013 38.487 -0.575 0.000 1.293 474 N HN 0.061 nan 8.380 nan 0.000 0.498 475 R N -0.638 119.704 120.500 -0.264 0.000 2.732 475 R HA 0.635 4.975 4.340 0.000 0.000 0.278 475 R C 0.793 176.998 176.300 -0.158 0.000 0.976 475 R CA -0.647 55.327 56.100 -0.211 0.000 0.963 475 R CB 1.688 31.846 30.300 -0.237 0.000 1.150 475 R HN 0.129 nan 8.270 nan 0.000 0.478 476 G N 1.003 109.735 108.800 -0.115 0.000 2.510 476 G HA2 0.165 4.125 3.960 0.000 0.000 0.280 476 G HA3 0.165 4.125 3.960 0.000 0.000 0.280 476 G C -1.528 173.290 174.900 -0.137 0.000 1.386 476 G CA -0.871 44.164 45.100 -0.108 0.000 1.047 476 G HN 0.398 nan 8.290 nan 0.000 0.527 477 P HA -0.088 nan 4.420 nan 0.000 0.225 477 P C 0.445 177.474 177.300 -0.452 0.000 1.148 477 P CA 1.276 64.186 63.100 -0.316 0.000 0.779 477 P CB 0.061 31.529 31.700 -0.388 0.000 0.780 478 H N -1.591 117.288 119.070 -0.319 0.000 2.551 478 H HA 0.348 4.904 4.556 0.000 0.000 0.271 478 H C 1.556 176.822 175.328 -0.103 0.000 0.984 478 H CA 0.781 56.594 56.048 -0.391 0.000 1.164 478 H CB -0.090 29.374 29.762 -0.497 0.000 1.437 478 H HN 0.162 nan 8.280 nan 0.000 0.550 479 G N 0.381 109.177 108.800 -0.007 0.000 2.176 479 G HA2 -0.271 3.689 3.960 0.000 0.000 0.253 479 G HA3 -0.271 3.689 3.960 0.000 0.000 0.253 479 G C 0.061 174.956 174.900 -0.009 0.000 0.979 479 G CA 0.097 45.198 45.100 0.002 0.000 0.641 479 G HN 0.253 nan 8.290 nan 0.000 0.530 480 L N 0.810 122.048 121.223 0.024 0.000 2.379 480 L HA 0.492 4.832 4.340 0.000 0.000 0.269 480 L C -1.958 174.878 176.870 -0.056 0.000 1.084 480 L CA -2.405 52.443 54.840 0.012 0.000 0.802 480 L CB 1.053 43.170 42.059 0.097 0.000 1.175 480 L HN -0.159 nan 8.230 nan 0.000 0.448 481 P HA 0.080 nan 4.420 nan 0.000 0.268 481 P C -0.661 176.616 177.300 -0.038 0.000 1.204 481 P CA -0.123 62.912 63.100 -0.108 0.000 0.768 481 P CB 0.413 32.052 31.700 -0.101 0.000 0.842 482 L N 4.026 125.217 121.223 -0.055 0.000 2.453 482 L HA 0.117 4.457 4.340 0.000 0.000 0.272 482 L C 1.988 178.876 176.870 0.031 0.000 1.182 482 L CA 0.155 54.981 54.840 -0.023 0.000 0.858 482 L CB 0.239 42.263 42.059 -0.059 0.000 1.120 482 L HN 0.495 nan 8.230 nan 0.000 0.474 483 I N 1.576 122.170 120.570 0.040 0.000 2.406 483 I HA -0.015 4.155 4.170 0.000 0.000 0.249 483 I C 1.449 177.600 176.117 0.057 0.000 1.122 483 I CA 1.350 62.687 61.300 0.063 0.000 1.431 483 I CB -0.005 38.021 38.000 0.044 0.000 1.087 483 I HN 0.937 nan 8.210 nan 0.000 0.424 484 G N 0.783 109.602 108.800 0.031 0.000 2.528 484 G HA2 -0.463 3.497 3.960 0.000 0.000 0.262 484 G HA3 -0.463 3.497 3.960 0.000 0.000 0.262 484 G C 0.773 175.634 174.900 -0.066 0.000 1.200 484 G CA 0.560 45.660 45.100 -0.000 0.000 0.951 484 G HN 0.485 nan 8.290 nan 0.000 0.566 485 R N 0.631 121.013 120.500 -0.196 0.000 2.096 485 R HA 0.357 4.697 4.340 0.000 0.000 0.240 485 R C 1.237 177.395 176.300 -0.237 0.000 1.139 485 R CA 3.485 59.368 56.100 -0.361 0.000 0.952 485 R CB -0.697 29.054 30.300 -0.915 0.000 0.854 485 R HN 2.395 nan 8.270 nan 0.000 0.436 486 A N -0.997 121.744 122.820 -0.132 0.000 2.489 486 A HA 0.379 4.699 4.320 0.000 0.000 0.293 486 A C -1.556 176.151 177.584 0.205 0.000 1.004 486 A CA -0.438 51.639 52.037 0.067 0.000 0.626 486 A CB 0.256 19.345 19.000 0.148 0.000 1.345 486 A HN 0.366 nan 8.150 nan 0.000 0.447 487 D N -0.959 119.544 120.400 0.171 0.000 2.466 487 D HA 0.315 4.955 4.640 0.000 0.000 0.271 487 D C 1.193 177.592 176.300 0.166 0.000 1.193 487 D CA 0.167 54.300 54.000 0.222 0.000 1.103 487 D CB -0.593 40.339 40.800 0.221 0.000 1.184 487 D HN 0.707 nan 8.370 nan 0.000 0.593 488 W N 0.604 121.801 121.300 -0.171 0.000 2.305 488 W HA -0.155 4.505 4.660 0.000 0.000 0.308 488 W C 0.549 176.951 176.519 -0.195 0.000 1.226 488 W CA 1.570 58.788 57.345 -0.212 0.000 1.253 488 W CB -0.248 28.782 29.460 -0.717 0.000 1.146 488 W HN 0.201 nan 8.180 nan 0.000 0.507 489 N N 1.807 120.362 118.700 -0.242 0.000 2.402 489 N HA -0.063 4.677 4.740 0.000 0.000 0.259 489 N C 0.337 175.696 175.510 -0.252 0.000 1.167 489 N CA 0.523 53.324 53.050 -0.415 0.000 0.949 489 N CB 0.369 38.858 38.487 0.003 0.000 1.212 489 N HN 0.121 nan 8.380 nan 0.000 0.493 490 D N 2.053 122.243 120.400 -0.349 0.000 2.309 490 D HA -0.083 4.557 4.640 0.000 0.000 0.212 490 D C 0.951 177.247 176.300 -0.007 0.000 0.968 490 D CA 0.901 54.849 54.000 -0.087 0.000 0.882 490 D CB 0.182 40.907 40.800 -0.125 0.000 0.918 490 D HN 0.533 nan 8.370 nan 0.000 0.503 491 C N 0.091 119.350 119.300 -0.067 0.000 2.791 491 C HA 0.257 4.717 4.460 0.000 0.000 0.270 491 C C 0.849 175.826 174.990 -0.022 0.000 1.257 491 C CA -0.727 58.268 59.018 -0.040 0.000 1.699 491 C CB -0.804 26.933 27.740 -0.006 0.000 1.904 491 C HN 0.122 nan 8.230 nan 0.000 0.603 492 L N 3.140 124.370 121.223 0.012 0.000 2.352 492 L HA 0.364 4.704 4.340 0.000 0.000 0.272 492 L C -0.733 176.113 176.870 -0.040 0.000 1.109 492 L CA 0.200 55.040 54.840 -0.001 0.000 0.952 492 L CB -0.999 41.059 42.059 -0.003 0.000 1.314 492 L HN 0.224 nan 8.230 nan 0.000 0.427 493 N N 4.757 123.415 118.700 -0.069 0.000 2.609 493 N HA 0.276 5.016 4.740 0.000 0.000 0.234 493 N C 0.548 175.983 175.510 -0.125 0.000 1.001 493 N CA -0.314 52.702 53.050 -0.058 0.000 0.926 493 N CB 1.008 39.501 38.487 0.011 0.000 1.130 493 N HN 0.494 nan 8.380 nan 0.000 0.510 494 L N 0.454 121.616 121.223 -0.102 0.000 2.558 494 L HA 0.161 4.501 4.340 0.000 0.000 0.225 494 L C 0.566 177.441 176.870 0.008 0.000 1.128 494 L CA 0.405 55.169 54.840 -0.126 0.000 0.868 494 L CB -0.007 42.018 42.059 -0.057 0.000 1.006 494 L HN 0.500 nan 8.230 nan 0.000 0.454 495 N N -1.413 117.325 118.700 0.063 0.000 2.401 495 N HA 0.102 4.842 4.740 0.000 0.000 0.264 495 N C 0.603 176.193 175.510 0.134 0.000 1.238 495 N CA 0.052 53.225 53.050 0.204 0.000 0.889 495 N CB 0.937 39.532 38.487 0.179 0.000 1.196 495 N HN 0.184 nan 8.380 nan 0.000 0.511 496 C N -0.722 118.605 119.300 0.045 0.000 2.654 496 C HA 0.297 4.757 4.460 0.000 0.000 0.288 496 C C 0.306 175.395 174.990 0.165 0.000 1.578 496 C CA 0.185 59.242 59.018 0.066 0.000 1.941 496 C CB -0.871 26.912 27.740 0.072 0.000 1.856 496 C HN 0.496 nan 8.230 nan 0.000 0.706 497 F N 2.190 122.112 119.950 -0.047 0.000 2.969 497 F HA -0.125 4.402 4.527 0.000 0.000 0.273 497 F C 0.536 176.333 175.800 -0.005 0.000 0.986 497 F CA 0.771 58.736 58.000 -0.057 0.000 0.926 497 F CB -1.894 37.021 39.000 -0.142 0.000 0.887 497 F HN 0.289 nan 8.300 nan 0.000 0.816 498 S N 0.149 115.935 115.700 0.143 0.000 2.537 498 S HA 0.609 5.079 4.470 0.000 0.000 0.275 498 S C 0.945 175.621 174.600 0.126 0.000 1.272 498 S CA 0.287 58.517 58.200 0.049 0.000 1.050 498 S CB 1.081 64.163 63.200 -0.197 0.000 0.961 498 S HN 0.461 nan 8.310 nan 0.000 0.496 499 T N 0.220 114.808 114.554 0.057 0.000 3.144 499 T HA 0.248 4.598 4.350 0.000 0.000 0.290 499 T C 0.039 174.735 174.700 -0.006 0.000 0.966 499 T CA -0.296 61.850 62.100 0.077 0.000 0.907 499 T CB -0.034 68.885 68.868 0.085 0.000 1.152 499 T HN 0.484 nan 8.240 nan 0.000 0.532 500 T N 5.796 120.312 114.554 -0.063 0.000 2.738 500 T HA 0.470 4.820 4.350 0.000 0.000 0.298 500 T C -2.338 172.282 174.700 -0.132 0.000 0.962 500 T CA -1.018 61.031 62.100 -0.085 0.000 0.972 500 T CB 1.219 70.034 68.868 -0.089 0.000 0.928 500 T HN 0.280 nan 8.240 nan 0.000 0.474 501 P HA 0.270 nan 4.420 nan 0.000 0.272 501 P C 1.014 178.246 177.300 -0.114 0.000 1.230 501 P CA 0.111 63.141 63.100 -0.117 0.000 0.788 501 P CB 0.610 32.260 31.700 -0.082 0.000 0.949 502 G N 0.498 109.231 108.800 -0.113 0.000 2.284 502 G HA2 -0.278 3.682 3.960 0.000 0.000 0.261 502 G HA3 -0.278 3.682 3.960 0.000 0.000 0.261 502 G C 0.175 175.013 174.900 -0.103 0.000 0.997 502 G CA 0.499 45.546 45.100 -0.089 0.000 0.621 502 G HN 0.762 nan 8.290 nan 0.000 0.534 503 E N 1.159 121.265 120.200 -0.158 0.000 2.167 503 E HA 0.544 4.894 4.350 0.000 0.000 0.284 503 E C 0.494 176.961 176.600 -0.222 0.000 1.016 503 E CA -0.092 56.212 56.400 -0.161 0.000 0.817 503 E CB 0.700 30.303 29.700 -0.163 0.000 1.080 503 E HN 0.164 nan 8.360 nan 0.000 0.397 504 S N 3.772 119.406 115.700 -0.110 0.000 2.563 504 S HA -0.051 4.419 4.470 0.000 0.000 0.294 504 S C 0.676 175.239 174.600 -0.063 0.000 1.279 504 S CA -0.102 58.077 58.200 -0.035 0.000 1.069 504 S CB 0.135 63.354 63.200 0.032 0.000 0.828 504 S HN 0.542 nan 8.310 nan 0.000 0.497 505 F N 2.503 122.444 119.950 -0.014 0.000 2.365 505 F HA -0.053 4.475 4.527 0.000 0.000 0.300 505 F C 2.494 178.294 175.800 0.001 0.000 1.090 505 F CA 0.664 58.656 58.000 -0.012 0.000 1.408 505 F CB -0.094 38.898 39.000 -0.013 0.000 1.060 505 F HN 0.549 nan 8.300 nan 0.000 0.534 506 Q N -0.421 119.506 119.800 0.211 0.000 2.172 506 Q HA -0.096 4.244 4.340 0.000 0.000 0.200 506 Q C 2.247 178.314 176.000 0.112 0.000 0.964 506 Q CA 1.989 57.905 55.803 0.189 0.000 0.855 506 Q CB -1.031 27.833 28.738 0.210 0.000 0.918 506 Q HN 0.516 nan 8.270 nan 0.000 0.444 507 T N -4.028 110.566 114.554 0.066 0.000 2.990 507 T HA 0.086 4.436 4.350 0.000 0.000 0.249 507 T C 1.096 175.790 174.700 -0.009 0.000 1.039 507 T CA 0.116 62.237 62.100 0.034 0.000 1.036 507 T CB -0.036 68.855 68.868 0.039 0.000 0.994 507 T HN -0.032 nan 8.240 nan 0.000 0.489 508 T N 3.574 118.105 114.554 -0.038 0.000 2.831 508 T HA 0.108 4.458 4.350 0.000 0.000 0.291 508 T C 0.338 175.008 174.700 -0.049 0.000 0.981 508 T CA -0.253 61.808 62.100 -0.066 0.000 1.174 508 T CB -0.065 68.723 68.868 -0.134 0.000 0.929 508 T HN 0.705 nan 8.240 nan 0.000 0.532 509 E N 4.704 124.879 120.200 -0.041 0.000 2.438 509 E HA 0.029 4.380 4.350 0.000 0.000 0.261 509 E C -0.193 176.389 176.600 -0.031 0.000 1.103 509 E CA -0.385 55.993 56.400 -0.037 0.000 0.959 509 E CB 0.420 30.102 29.700 -0.030 0.000 0.958 509 E HN 0.461 nan 8.360 nan 0.000 0.447 510 N N 1.187 119.871 118.700 -0.027 0.000 2.432 510 N HA 0.163 4.903 4.740 0.000 0.000 0.292 510 N C -0.987 174.530 175.510 0.012 0.000 1.193 510 N CA -0.721 52.327 53.050 -0.002 0.000 0.878 510 N CB 1.273 39.756 38.487 -0.007 0.000 1.252 510 N HN 0.440 nan 8.380 nan 0.000 0.520 511 Q N 0.569 120.390 119.800 0.035 0.000 2.286 511 Q HA 0.459 4.799 4.340 0.000 0.000 0.257 511 Q C -0.268 175.800 176.000 0.113 0.000 0.941 511 Q CA -0.415 55.406 55.803 0.030 0.000 0.912 511 Q CB 1.047 29.741 28.738 -0.073 0.000 1.192 511 Q HN 0.662 nan 8.270 nan 0.000 0.410 512 A N 1.649 124.517 122.820 0.080 0.000 2.346 512 A HA 0.671 4.991 4.320 0.000 0.000 0.252 512 A C 0.740 178.413 177.584 0.149 0.000 1.089 512 A CA 0.747 52.832 52.037 0.080 0.000 0.797 512 A CB -0.040 18.976 19.000 0.026 0.000 1.047 512 A HN 0.907 nan 8.150 nan 0.000 0.494 513 G N -0.965 107.874 108.800 0.066 0.000 2.660 513 G HA2 0.544 4.504 3.960 0.000 0.000 0.215 513 G HA3 0.544 4.504 3.960 0.000 0.000 0.215 513 G C 1.039 175.775 174.900 -0.273 0.000 1.345 513 G CA 0.332 45.424 45.100 -0.013 0.000 0.877 513 G HN 3.127 nan 8.290 nan 0.000 0.549 514 G N -3.227 105.176 108.800 -0.660 0.000 2.796 514 G HA2 0.364 4.324 3.960 0.000 0.000 0.571 514 G HA3 0.364 4.324 3.960 0.000 0.000 0.571 514 G C 0.639 175.201 174.900 -0.563 0.000 1.370 514 G CA 1.282 45.589 45.100 -1.322 0.000 0.856 514 G HN 2.480 nan 8.290 nan 0.000 0.538 515 V N -3.426 116.235 119.914 -0.422 0.000 3.017 515 V HA 0.778 4.898 4.120 0.000 0.000 0.354 515 V C 1.092 177.135 176.094 -0.085 0.000 1.389 515 V CA 0.813 62.996 62.300 -0.195 0.000 1.163 515 V CB 0.192 31.929 31.823 -0.144 0.000 1.178 515 V HN 2.507 nan 8.190 nan 0.000 0.547 516 A N 0.817 123.590 122.820 -0.078 0.000 2.545 516 A HA 0.446 4.766 4.320 0.000 0.000 0.253 516 A C 0.315 177.919 177.584 0.034 0.000 1.074 516 A CA 0.641 52.690 52.037 0.020 0.000 0.760 516 A CB -0.200 18.830 19.000 0.049 0.000 1.005 516 A HN 0.773 nan 8.150 nan 0.000 0.506 517 E N 0.995 121.247 120.200 0.087 0.000 2.277 517 E HA 0.536 4.886 4.350 0.000 0.000 0.266 517 E C -0.842 175.805 176.600 0.077 0.000 0.901 517 E CA -0.604 55.851 56.400 0.091 0.000 0.782 517 E CB 2.030 31.820 29.700 0.150 0.000 1.228 517 E HN 0.551 nan 8.360 nan 0.000 0.424 518 S N 1.287 117.028 115.700 0.068 0.000 2.498 518 S HA 0.212 4.682 4.470 0.000 0.000 0.317 518 S C 0.553 175.200 174.600 0.078 0.000 1.090 518 S CA -0.661 57.580 58.200 0.069 0.000 1.089 518 S CB 1.173 64.439 63.200 0.111 0.000 0.997 518 S HN 0.331 nan 8.310 nan 0.000 0.470 519 V N 5.939 125.894 119.914 0.067 0.000 2.548 519 V HA -0.013 4.107 4.120 0.000 0.000 0.249 519 V C 1.822 177.936 176.094 0.034 0.000 1.055 519 V CA 1.700 64.038 62.300 0.064 0.000 1.065 519 V CB -1.070 30.801 31.823 0.081 0.000 0.681 519 V HN 0.926 nan 8.190 nan 0.000 0.462 520 F N 1.167 121.092 119.950 -0.041 0.000 2.075 520 F HA -0.191 4.336 4.527 0.000 0.000 0.297 520 F C 2.118 177.837 175.800 -0.135 0.000 1.113 520 F CA 1.885 59.826 58.000 -0.099 0.000 1.218 520 F CB -0.216 38.744 39.000 -0.067 0.000 0.984 520 F HN 0.056 nan 8.300 nan 0.000 0.472 521 I N 0.499 121.070 120.570 0.003 0.000 2.361 521 I HA -0.292 3.878 4.170 0.000 0.000 0.251 521 I C 2.665 178.710 176.117 -0.119 0.000 1.133 521 I CA 0.982 62.231 61.300 -0.085 0.000 1.413 521 I CB -1.053 37.006 38.000 0.099 0.000 1.073 521 I HN 0.316 nan 8.210 nan 0.000 0.424 522 A N 1.056 123.831 122.820 -0.074 0.000 1.877 522 A HA -0.162 4.158 4.320 0.000 0.000 0.216 522 A C 2.600 180.167 177.584 -0.029 0.000 1.186 522 A CA 1.914 53.941 52.037 -0.017 0.000 0.620 522 A CB -0.804 18.201 19.000 0.009 0.000 0.822 522 A HN 0.415 nan 8.150 nan 0.000 0.443 523 A N -0.781 121.938 122.820 -0.167 0.000 1.877 523 A HA -0.233 4.087 4.320 0.000 0.000 0.216 523 A C 2.235 179.724 177.584 -0.159 0.000 1.186 523 A CA 1.886 53.813 52.037 -0.184 0.000 0.620 523 A CB -0.705 18.151 19.000 -0.239 0.000 0.822 523 A HN 0.678 nan 8.150 nan 0.000 0.443 524 Q N -1.546 118.036 119.800 -0.362 0.000 2.112 524 Q HA -0.238 4.102 4.340 0.000 0.000 0.206 524 Q C 1.881 177.833 176.000 -0.081 0.000 0.987 524 Q CA 2.121 57.730 55.803 -0.324 0.000 0.858 524 Q CB -0.306 27.975 28.738 -0.762 0.000 0.905 524 Q HN 0.684 nan 8.270 nan 0.000 0.420 525 F N 0.093 119.960 119.950 -0.139 0.000 2.146 525 F HA -0.182 4.345 4.527 0.000 0.000 0.298 525 F C 1.909 177.730 175.800 0.034 0.000 1.096 525 F CA 1.288 59.277 58.000 -0.019 0.000 1.275 525 F CB -0.142 38.826 39.000 -0.052 0.000 1.008 525 F HN -0.082 nan 8.300 nan 0.000 0.480 526 V N 0.547 120.472 119.914 0.019 0.000 2.287 526 V HA -0.302 3.818 4.120 0.000 0.000 0.248 526 V C 2.319 178.322 176.094 -0.152 0.000 1.053 526 V CA 1.892 64.159 62.300 -0.055 0.000 1.027 526 V CB -0.889 30.930 31.823 -0.006 0.000 0.646 526 V HN 0.431 nan 8.190 nan 0.000 0.447 527 L N -0.476 120.605 121.223 -0.236 0.000 1.976 527 L HA -0.180 4.160 4.340 0.000 0.000 0.209 527 L C 2.250 178.936 176.870 -0.307 0.000 1.071 527 L CA 2.163 56.777 54.840 -0.377 0.000 0.746 527 L CB -0.688 40.951 42.059 -0.699 0.000 0.890 527 L HN 0.409 nan 8.230 nan 0.000 0.432 528 Y N -1.274 119.034 120.300 0.013 0.000 2.519 528 Y HA 0.113 4.663 4.550 0.000 0.000 0.287 528 Y C 2.313 178.251 175.900 0.064 0.000 1.128 528 Y CA 0.241 58.385 58.100 0.072 0.000 1.282 528 Y CB -0.447 38.074 38.460 0.101 0.000 1.027 528 Y HN 0.285 nan 8.280 nan 0.000 0.551 529 G N 0.179 108.982 108.800 0.004 0.000 2.408 529 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 529 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 529 G C 1.861 176.814 174.900 0.087 0.000 1.150 529 G CA 0.845 45.942 45.100 -0.006 0.000 0.776 529 G HN 0.425 nan 8.290 nan 0.000 0.542 530 A N 0.820 123.661 122.820 0.035 0.000 1.933 530 A HA -0.018 4.302 4.320 0.000 0.000 0.218 530 A C 2.237 179.891 177.584 0.117 0.000 1.175 530 A CA 1.851 53.925 52.037 0.061 0.000 0.628 530 A CB -0.253 18.767 19.000 0.035 0.000 0.814 530 A HN 0.292 nan 8.150 nan 0.000 0.444 531 E N -1.139 119.178 120.200 0.194 0.000 2.072 531 E HA -0.189 4.161 4.350 0.000 0.000 0.191 531 E C 1.824 178.565 176.600 0.235 0.000 0.985 531 E CA 1.425 57.991 56.400 0.277 0.000 0.801 531 E CB -0.577 29.353 29.700 0.383 0.000 0.750 531 E HN 0.808 nan 8.360 nan 0.000 0.452 532 Y N 1.714 122.073 120.300 0.097 0.000 2.165 532 Y HA -0.224 4.326 4.550 0.000 0.000 0.286 532 Y C 2.273 178.157 175.900 -0.027 0.000 1.155 532 Y CA 1.570 59.677 58.100 0.012 0.000 1.164 532 Y CB -0.491 37.867 38.460 -0.169 0.000 0.978 532 Y HN 0.003 nan 8.280 nan 0.000 0.513 533 A N -0.495 122.212 122.820 -0.190 0.000 1.883 533 A HA -0.219 4.102 4.320 0.000 0.000 0.217 533 A C 2.260 179.740 177.584 -0.173 0.000 1.186 533 A CA 2.479 54.376 52.037 -0.234 0.000 0.624 533 A CB -1.426 17.530 19.000 -0.073 0.000 0.822 533 A HN 0.523 nan 8.150 nan 0.000 0.444 534 T N 0.651 115.162 114.554 -0.071 0.000 2.684 534 T HA -0.115 4.235 4.350 0.000 0.000 0.267 534 T C 1.804 176.435 174.700 -0.116 0.000 1.036 534 T CA 1.567 63.622 62.100 -0.076 0.000 1.148 534 T CB -0.443 68.413 68.868 -0.020 0.000 0.863 534 T HN 0.386 nan 8.240 nan 0.000 0.436 535 L N 0.712 121.913 121.223 -0.035 0.000 2.083 535 L HA -0.079 4.261 4.340 0.000 0.000 0.209 535 L C 3.055 179.892 176.870 -0.056 0.000 1.083 535 L CA 1.157 56.050 54.840 0.088 0.000 0.752 535 L CB -0.738 41.506 42.059 0.308 0.000 0.899 535 L HN 0.248 nan 8.230 nan 0.000 0.433 536 A N 0.017 122.745 122.820 -0.154 0.000 1.898 536 A HA -0.234 4.086 4.320 0.000 0.000 0.216 536 A C 2.215 179.658 177.584 -0.235 0.000 1.181 536 A CA 1.787 53.686 52.037 -0.230 0.000 0.620 536 A CB -0.413 18.405 19.000 -0.303 0.000 0.819 536 A HN 0.361 nan 8.150 nan 0.000 0.442 537 E N 0.117 120.201 120.200 -0.194 0.000 2.077 537 E HA -0.163 4.188 4.350 0.000 0.000 0.193 537 E C 2.116 178.588 176.600 -0.212 0.000 0.989 537 E CA 1.214 57.512 56.400 -0.170 0.000 0.800 537 E CB -0.180 29.439 29.700 -0.134 0.000 0.746 537 E HN 0.363 nan 8.360 nan 0.000 0.452 538 R N 0.175 120.520 120.500 -0.260 0.000 2.152 538 R HA 0.018 4.358 4.340 0.000 0.000 0.232 538 R C 1.954 178.036 176.300 -0.364 0.000 1.117 538 R CA 0.718 56.593 56.100 -0.376 0.000 0.981 538 R CB -0.393 29.557 30.300 -0.582 0.000 0.870 538 R HN 0.121 nan 8.270 nan 0.000 0.451 539 R N -0.372 119.929 120.500 -0.333 0.000 2.276 539 R HA 0.041 4.381 4.340 0.000 0.000 0.203 539 R C 0.974 177.116 176.300 -0.264 0.000 1.017 539 R CA 0.775 56.665 56.100 -0.349 0.000 1.010 539 R CB -0.158 29.788 30.300 -0.590 0.000 0.900 539 R HN 0.484 nan 8.270 nan 0.000 0.469 540 G N 0.199 108.866 108.800 -0.222 0.000 2.159 540 G HA2 -0.212 3.748 3.960 0.000 0.000 0.227 540 G HA3 -0.212 3.748 3.960 0.000 0.000 0.227 540 G C -0.233 174.592 174.900 -0.125 0.000 0.986 540 G CA -0.333 44.673 45.100 -0.156 0.000 0.651 540 G HN 0.146 nan 8.290 nan 0.000 0.523 541 L N 1.744 122.880 121.223 -0.145 0.000 2.466 541 L HA 0.686 5.026 4.340 0.000 0.000 0.248 541 L C 1.984 178.814 176.870 -0.066 0.000 1.240 541 L CA 0.524 55.312 54.840 -0.086 0.000 1.180 541 L CB -0.064 41.950 42.059 -0.075 0.000 1.413 541 L HN 0.352 nan 8.230 nan 0.000 0.406 542 A N 0.610 123.396 122.820 -0.057 0.000 1.883 542 A HA -0.195 4.126 4.320 0.000 0.000 0.217 542 A C 1.897 179.466 177.584 -0.025 0.000 1.186 542 A CA 1.846 53.855 52.037 -0.046 0.000 0.624 542 A CB -0.211 18.765 19.000 -0.040 0.000 0.822 542 A HN 0.546 nan 8.150 nan 0.000 0.444 543 D N -0.408 119.988 120.400 -0.006 0.000 2.097 543 D HA -0.080 4.560 4.640 0.000 0.000 0.197 543 D C 2.099 178.417 176.300 0.030 0.000 0.984 543 D CA 1.399 55.406 54.000 0.012 0.000 0.826 543 D CB -0.591 40.224 40.800 0.025 0.000 0.973 543 D HN 0.202 nan 8.370 nan 0.000 0.460 544 V N 1.523 121.467 119.914 0.050 0.000 2.332 544 V HA -0.262 3.858 4.120 0.000 0.000 0.248 544 V C 2.520 178.640 176.094 0.042 0.000 1.055 544 V CA 1.892 64.250 62.300 0.097 0.000 1.038 544 V CB -0.873 31.033 31.823 0.139 0.000 0.651 544 V HN 0.190 nan 8.190 nan 0.000 0.450 545 A N -0.219 122.583 122.820 -0.029 0.000 1.877 545 A HA -0.221 4.099 4.320 0.000 0.000 0.216 545 A C 2.414 179.982 177.584 -0.026 0.000 1.186 545 A CA 2.507 54.501 52.037 -0.073 0.000 0.620 545 A CB -1.040 17.904 19.000 -0.092 0.000 0.822 545 A HN 0.502 nan 8.150 nan 0.000 0.443 546 T N -0.401 114.144 114.554 -0.016 0.000 2.684 546 T HA -0.187 4.163 4.350 0.000 0.000 0.267 546 T C 1.882 176.572 174.700 -0.016 0.000 1.036 546 T CA 1.622 63.714 62.100 -0.013 0.000 1.148 546 T CB -0.293 68.566 68.868 -0.015 0.000 0.863 546 T HN 0.724 nan 8.240 nan 0.000 0.436 547 E N 1.075 121.266 120.200 -0.015 0.000 2.058 547 E HA -0.179 4.171 4.350 0.000 0.000 0.194 547 E C 2.438 179.025 176.600 -0.021 0.000 0.997 547 E CA 1.176 57.526 56.400 -0.084 0.000 0.801 547 E CB -0.291 29.409 29.700 0.001 0.000 0.746 547 E HN 0.456 nan 8.360 nan 0.000 0.450 548 A N 1.312 124.235 122.820 0.172 0.000 1.892 548 A HA -0.238 4.082 4.320 0.000 0.000 0.218 548 A C 2.213 180.000 177.584 0.338 0.000 1.188 548 A CA 1.928 54.177 52.037 0.354 0.000 0.631 548 A CB -0.637 18.340 19.000 -0.040 0.000 0.822 548 A HN 0.251 nan 8.150 nan 0.000 0.447 549 R N -0.588 119.996 120.500 0.140 0.000 2.120 549 R HA -0.122 4.218 4.340 0.000 0.000 0.234 549 R C 2.361 178.741 176.300 0.132 0.000 1.123 549 R CA 1.570 57.740 56.100 0.118 0.000 0.975 549 R CB -0.258 30.073 30.300 0.051 0.000 0.866 549 R HN 0.645 nan 8.270 nan 0.000 0.446 550 K N 0.322 120.762 120.400 0.068 0.000 2.025 550 K HA -0.165 4.155 4.320 0.000 0.000 0.207 550 K C 1.763 178.456 176.600 0.155 0.000 1.049 550 K CA 1.488 57.791 56.287 0.027 0.000 0.933 550 K CB -0.134 32.289 32.500 -0.128 0.000 0.714 550 K HN 0.248 nan 8.250 nan 0.000 0.438 551 Y N 0.467 120.938 120.300 0.284 0.000 2.181 551 Y HA -0.245 4.305 4.550 0.000 0.000 0.288 551 Y C 2.357 178.516 175.900 0.431 0.000 1.146 551 Y CA 0.652 58.949 58.100 0.328 0.000 1.164 551 Y CB -0.001 38.716 38.460 0.430 0.000 0.982 551 Y HN -0.114 nan 8.280 nan 0.000 0.515 552 V N 0.238 120.510 119.914 0.597 0.000 2.332 552 V HA -0.316 3.804 4.120 0.000 0.000 0.248 552 V C 1.686 177.956 176.094 0.294 0.000 1.055 552 V CA 2.068 64.621 62.300 0.422 0.000 1.038 552 V CB -0.514 31.429 31.823 0.200 0.000 0.651 552 V HN 0.458 nan 8.190 nan 0.000 0.450 553 D N -0.303 120.230 120.400 0.221 0.000 2.178 553 D HA -0.153 4.487 4.640 0.000 0.000 0.201 553 D C 2.172 178.563 176.300 0.153 0.000 0.980 553 D CA 1.186 55.276 54.000 0.149 0.000 0.842 553 D CB -0.069 40.795 40.800 0.106 0.000 0.948 553 D HN 0.595 nan 8.370 nan 0.000 0.472 554 E N 0.408 120.723 120.200 0.192 0.000 2.047 554 E HA -0.100 4.250 4.350 0.000 0.000 0.191 554 E C 2.365 179.054 176.600 0.149 0.000 0.987 554 E CA 0.560 57.057 56.400 0.162 0.000 0.799 554 E CB 0.112 29.925 29.700 0.187 0.000 0.752 554 E HN 0.061 nan 8.360 nan 0.000 0.449 555 V N 1.995 122.022 119.914 0.188 0.000 2.343 555 V HA -0.286 3.834 4.120 0.000 0.000 0.247 555 V C 2.465 178.647 176.094 0.147 0.000 1.051 555 V CA 2.298 64.690 62.300 0.153 0.000 1.036 555 V CB -0.658 31.302 31.823 0.230 0.000 0.654 555 V HN 0.303 nan 8.190 nan 0.000 0.451 556 R N 1.542 122.132 120.500 0.151 0.000 2.115 556 R HA 0.002 4.342 4.340 0.000 0.000 0.230 556 R C 2.147 178.506 176.300 0.097 0.000 1.111 556 R CA 1.603 57.767 56.100 0.106 0.000 0.976 556 R CB -0.748 29.601 30.300 0.082 0.000 0.870 556 R HN 0.345 nan 8.270 nan 0.000 0.445 557 A N 1.433 124.309 122.820 0.093 0.000 1.898 557 A HA 0.037 4.357 4.320 0.000 0.000 0.216 557 A C 2.528 180.156 177.584 0.073 0.000 1.181 557 A CA 1.464 53.541 52.037 0.068 0.000 0.620 557 A CB -0.832 18.206 19.000 0.064 0.000 0.819 557 A HN 0.545 nan 8.150 nan 0.000 0.442 558 A N -0.530 122.360 122.820 0.117 0.000 1.930 558 A HA 0.039 4.359 4.320 0.000 0.000 0.217 558 A C 2.207 179.909 177.584 0.196 0.000 1.175 558 A CA 1.666 53.809 52.037 0.178 0.000 0.627 558 A CB -0.840 18.289 19.000 0.215 0.000 0.815 558 A HN 0.359 nan 8.150 nan 0.000 0.443 559 V N 0.031 120.053 119.914 0.180 0.000 2.261 559 V HA -0.263 3.858 4.120 0.000 0.000 0.246 559 V C 2.523 178.799 176.094 0.304 0.000 1.047 559 V CA 2.041 64.483 62.300 0.238 0.000 1.015 559 V CB -0.734 31.194 31.823 0.174 0.000 0.642 559 V HN 0.577 nan 8.190 nan 0.000 0.446 560 L N -0.330 121.014 121.223 0.201 0.000 2.217 560 L HA -0.140 4.200 4.340 0.000 0.000 0.211 560 L C 2.532 179.447 176.870 0.076 0.000 1.107 560 L CA 1.678 56.590 54.840 0.120 0.000 0.783 560 L CB -0.307 41.755 42.059 0.005 0.000 0.919 560 L HN 0.483 nan 8.230 nan 0.000 0.442 561 E N -1.131 119.077 120.200 0.014 0.000 2.166 561 E HA -0.124 4.226 4.350 0.000 0.000 0.192 561 E C 1.491 177.974 176.600 -0.195 0.000 0.967 561 E CA 0.570 56.879 56.400 -0.153 0.000 0.840 561 E CB 0.320 29.817 29.700 -0.338 0.000 0.795 561 E HN 0.511 nan 8.360 nan 0.000 0.470 562 H N -1.856 117.343 119.070 0.214 0.000 2.893 562 H HA 0.284 4.840 4.556 0.000 0.000 0.270 562 H C 0.944 176.440 175.328 0.278 0.000 1.095 562 H CA 0.716 56.910 56.048 0.244 0.000 1.186 562 H CB 1.504 31.407 29.762 0.235 0.000 1.562 562 H HN 0.220 nan 8.280 nan 0.000 0.536 563 G N -0.769 108.256 108.800 0.376 0.000 3.575 563 G HA2 0.009 3.969 3.960 0.000 0.000 0.273 563 G HA3 0.009 3.969 3.960 0.000 0.000 0.273 563 G C -0.392 174.783 174.900 0.459 0.000 1.053 563 G CA -0.205 45.116 45.100 0.369 0.000 0.803 563 G HN 0.178 nan 8.290 nan 0.000 0.528 564 W N 1.281 122.646 121.300 0.108 0.000 2.417 564 W HA 0.384 5.044 4.660 0.000 0.000 0.315 564 W C -0.752 175.702 176.519 -0.107 0.000 1.045 564 W CA -0.700 56.613 57.345 -0.054 0.000 1.221 564 W CB 2.004 31.389 29.460 -0.124 0.000 1.309 564 W HN 0.129 nan 8.180 nan 0.000 0.453 565 D N 2.396 122.281 120.400 -0.859 0.000 2.350 565 D HA 0.184 4.824 4.640 0.000 0.000 0.213 565 D C 1.607 177.277 176.300 -1.050 0.000 1.031 565 D CA 1.562 55.066 54.000 -0.828 0.000 0.861 565 D CB 0.426 40.728 40.800 -0.831 0.000 0.926 565 D HN 0.731 nan 8.370 nan 0.000 0.520 566 G N -0.291 107.545 108.800 -1.605 0.000 2.697 566 G HA2 -0.209 3.751 3.960 0.000 0.000 0.200 566 G HA3 -0.209 3.751 3.960 0.000 0.000 0.200 566 G C 0.955 175.410 174.900 -0.741 0.000 1.106 566 G CA 0.077 44.648 45.100 -0.882 0.000 0.748 566 G HN 0.240 nan 8.290 nan 0.000 0.503 567 Q N -0.894 118.264 119.800 -1.070 0.000 2.140 567 Q HA 0.335 4.675 4.340 0.000 0.000 0.227 567 Q C -0.023 175.762 176.000 -0.359 0.000 0.798 567 Q CA 0.754 56.261 55.803 -0.493 0.000 0.987 567 Q CB 1.488 30.052 28.738 -0.290 0.000 1.161 567 Q HN 0.907 nan 8.270 nan 0.000 0.480 568 W N -1.853 118.846 121.300 -1.001 0.000 2.982 568 W HA 0.591 5.251 4.660 0.000 0.000 0.344 568 W C -1.536 174.510 176.519 -0.788 0.000 1.215 568 W CA -1.433 55.539 57.345 -0.621 0.000 1.182 568 W CB -0.329 29.039 29.460 -0.154 0.000 1.437 568 W HN -0.235 nan 8.180 nan 0.000 0.570 569 F N 2.340 122.485 119.950 0.324 0.000 2.418 569 F HA 0.417 4.944 4.527 0.000 0.000 0.341 569 F C 0.826 176.801 175.800 0.291 0.000 1.120 569 F CA -0.230 57.971 58.000 0.335 0.000 1.232 569 F CB 0.386 39.615 39.000 0.381 0.000 1.175 569 F HN 0.209 nan 8.300 nan 0.000 0.569 570 L N 2.617 124.049 121.223 0.348 0.000 2.464 570 L HA 0.220 4.560 4.340 0.000 0.000 0.264 570 L C 1.365 178.299 176.870 0.107 0.000 1.199 570 L CA 0.185 55.112 54.840 0.145 0.000 0.818 570 L CB 0.638 42.673 42.059 -0.040 0.000 1.102 570 L HN 0.620 nan 8.230 nan 0.000 0.473 571 R N 1.914 122.368 120.500 -0.077 0.000 2.128 571 R HA 0.568 4.909 4.340 0.000 0.000 0.211 571 R C -0.488 175.676 176.300 -0.225 0.000 1.067 571 R CA 0.913 56.897 56.100 -0.195 0.000 1.010 571 R CB 0.253 30.159 30.300 -0.657 0.000 0.922 571 R HN 0.782 nan 8.270 nan 0.000 0.457 572 A N -2.300 120.333 122.820 -0.312 0.000 2.402 572 A HA 0.406 4.726 4.320 0.000 0.000 0.295 572 A C -1.897 175.436 177.584 -0.418 0.000 1.001 572 A CA -0.769 51.113 52.037 -0.258 0.000 0.592 572 A CB -0.083 18.800 19.000 -0.194 0.000 1.404 572 A HN 0.094 nan 8.150 nan 0.000 0.493 573 Y N 1.429 121.666 120.300 -0.106 0.000 2.364 573 Y HA 0.465 5.015 4.550 0.000 0.000 0.340 573 Y C 0.531 176.397 175.900 -0.058 0.000 0.975 573 Y CA -0.148 57.902 58.100 -0.084 0.000 1.089 573 Y CB 1.578 39.981 38.460 -0.095 0.000 1.192 573 Y HN 0.909 nan 8.280 nan 0.000 0.454 574 D N 0.664 121.112 120.400 0.080 0.000 2.414 574 D HA -0.113 4.527 4.640 0.000 0.000 0.259 574 D C 1.053 177.396 176.300 0.072 0.000 1.269 574 D CA -0.223 53.790 54.000 0.023 0.000 1.028 574 D CB 0.170 40.942 40.800 -0.046 0.000 1.093 574 D HN 0.614 nan 8.370 nan 0.000 0.545 575 Y N -0.586 119.649 120.300 -0.109 0.000 2.241 575 Y HA -0.255 4.295 4.550 0.000 0.000 0.286 575 Y C 1.238 177.153 175.900 0.025 0.000 1.166 575 Y CA 1.596 59.664 58.100 -0.053 0.000 1.203 575 Y CB -0.169 38.303 38.460 0.020 0.000 0.977 575 Y HN 0.343 nan 8.280 nan 0.000 0.529 576 Y N -0.820 119.649 120.300 0.282 0.000 2.511 576 Y HA 0.297 4.847 4.550 0.000 0.000 0.279 576 Y C 2.010 177.966 175.900 0.094 0.000 1.157 576 Y CA -0.029 58.170 58.100 0.166 0.000 1.300 576 Y CB -0.346 38.223 38.460 0.181 0.000 1.052 576 Y HN 0.149 nan 8.280 nan 0.000 0.529 577 G N 0.304 109.243 108.800 0.232 0.000 2.141 577 G HA2 -0.272 3.688 3.960 0.000 0.000 0.231 577 G HA3 -0.272 3.688 3.960 0.000 0.000 0.231 577 G C -0.129 174.973 174.900 0.336 0.000 0.984 577 G CA -0.150 45.078 45.100 0.214 0.000 0.660 577 G HN 0.460 nan 8.290 nan 0.000 0.525 578 N N 2.012 120.905 118.700 0.321 0.000 2.509 578 N HA 0.523 5.263 4.740 0.000 0.000 0.287 578 N C -2.371 173.252 175.510 0.189 0.000 1.121 578 N CA -1.466 51.749 53.050 0.275 0.000 0.977 578 N CB 1.719 40.344 38.487 0.231 0.000 1.167 578 N HN 0.094 nan 8.380 nan 0.000 0.476 579 P HA 0.034 nan 4.420 nan 0.000 0.271 579 P C -0.900 176.286 177.300 -0.190 0.000 1.216 579 P CA -0.020 62.901 63.100 -0.298 0.000 0.771 579 P CB 0.936 32.503 31.700 -0.222 0.000 0.864 580 V N 2.380 122.114 119.914 -0.300 0.000 2.495 580 V HA 0.615 4.735 4.120 0.000 0.000 0.298 580 V C 1.029 176.979 176.094 -0.241 0.000 1.031 580 V CA 0.233 62.395 62.300 -0.231 0.000 0.871 580 V CB 0.780 32.394 31.823 -0.349 0.000 0.988 580 V HN 0.955 nan 8.190 nan 0.000 0.432 581 G N 2.751 111.526 108.800 -0.042 0.000 2.303 581 G HA2 -0.171 3.789 3.960 0.000 0.000 0.260 581 G HA3 -0.171 3.789 3.960 0.000 0.000 0.260 581 G C -0.018 175.069 174.900 0.312 0.000 1.106 581 G CA 0.275 45.465 45.100 0.150 0.000 0.900 581 G HN 1.063 nan 8.290 nan 0.000 0.495 582 T N -1.568 113.138 114.554 0.253 0.000 2.912 582 T HA 0.542 4.892 4.350 0.000 0.000 0.288 582 T C 0.971 175.843 174.700 0.287 0.000 1.030 582 T CA 0.282 62.516 62.100 0.223 0.000 1.020 582 T CB 1.674 70.565 68.868 0.038 0.000 1.056 582 T HN 0.027 nan 8.240 nan 0.000 0.480 583 D N 2.206 122.740 120.400 0.223 0.000 2.350 583 D HA 0.093 4.733 4.640 0.000 0.000 0.216 583 D C 1.875 178.237 176.300 0.103 0.000 0.968 583 D CA 1.044 55.185 54.000 0.235 0.000 0.894 583 D CB -0.134 40.675 40.800 0.015 0.000 0.909 583 D HN 0.631 nan 8.370 nan 0.000 0.520 584 A N -0.218 122.637 122.820 0.057 0.000 2.119 584 A HA -0.048 4.272 4.320 0.000 0.000 0.217 584 A C 1.133 178.755 177.584 0.064 0.000 1.153 584 A CA 0.703 52.765 52.037 0.043 0.000 0.692 584 A CB 0.004 19.020 19.000 0.027 0.000 0.799 584 A HN -0.050 nan 8.150 nan 0.000 0.458 585 K N -0.372 120.082 120.400 0.091 0.000 2.098 585 K HA 0.304 4.624 4.320 0.000 0.000 0.258 585 K C -2.055 174.583 176.600 0.064 0.000 0.973 585 K CA -2.171 54.171 56.287 0.091 0.000 0.898 585 K CB 1.308 33.886 32.500 0.130 0.000 1.057 585 K HN -0.014 nan 8.250 nan 0.000 0.447 586 P HA -0.032 nan 4.420 nan 0.000 0.222 586 P C -0.476 176.773 177.300 -0.084 0.000 1.153 586 P CA 1.019 64.115 63.100 -0.007 0.000 0.798 586 P CB 0.783 32.487 31.700 0.006 0.000 0.796 587 E N -1.468 118.682 120.200 -0.082 0.000 2.312 587 E HA 0.487 4.837 4.350 0.000 0.000 0.267 587 E C -0.075 176.316 176.600 -0.349 0.000 0.894 587 E CA -0.786 55.443 56.400 -0.286 0.000 0.773 587 E CB 1.478 31.006 29.700 -0.286 0.000 1.241 587 E HN 0.009 nan 8.360 nan 0.000 0.432 588 G N 2.070 110.505 108.800 -0.607 0.000 2.246 588 G HA2 -0.352 3.608 3.960 0.000 0.000 0.273 588 G HA3 -0.352 3.608 3.960 0.000 0.000 0.273 588 G C 0.668 175.635 174.900 0.111 0.000 1.055 588 G CA 0.837 45.729 45.100 -0.346 0.000 0.851 588 G HN 0.531 nan 8.290 nan 0.000 0.500 589 K N -0.930 119.449 120.400 -0.035 0.000 2.032 589 K HA 0.104 4.424 4.320 0.000 0.000 0.209 589 K C 1.364 178.016 176.600 0.088 0.000 1.048 589 K CA 1.437 57.798 56.287 0.122 0.000 0.927 589 K CB 0.338 32.889 32.500 0.086 0.000 0.712 589 K HN 0.615 nan 8.250 nan 0.000 0.441 590 I N 0.144 120.563 120.570 -0.252 0.000 2.533 590 I HA 0.219 4.389 4.170 0.000 0.000 0.290 590 I C -1.737 174.326 176.117 -0.090 0.000 1.056 590 I CA -0.980 60.013 61.300 -0.511 0.000 1.057 590 I CB 1.148 38.310 38.000 -1.396 0.000 1.240 590 I HN -0.010 nan 8.210 nan 0.000 0.423 591 W N 6.932 128.128 121.300 -0.173 0.000 2.573 591 W HA 0.453 5.113 4.660 0.000 0.000 0.326 591 W C 0.901 177.418 176.519 -0.003 0.000 1.049 591 W CA -0.495 56.823 57.345 -0.044 0.000 1.220 591 W CB 1.395 30.878 29.460 0.038 0.000 1.373 591 W HN 0.403 nan 8.180 nan 0.000 0.507 592 I N 1.757 122.433 120.570 0.177 0.000 2.439 592 I HA -0.264 3.906 4.170 0.000 0.000 0.251 592 I C 1.548 177.806 176.117 0.234 0.000 1.139 592 I CA 1.532 62.916 61.300 0.141 0.000 1.438 592 I CB 0.251 38.274 38.000 0.039 0.000 1.085 592 I HN 0.519 nan 8.210 nan 0.000 0.427 593 E N 1.581 121.958 120.200 0.295 0.000 2.048 593 E HA -0.239 4.111 4.350 0.000 0.000 0.202 593 E C -0.772 176.053 176.600 0.376 0.000 1.021 593 E CA 2.153 58.779 56.400 0.376 0.000 0.825 593 E CB -1.739 28.169 29.700 0.347 0.000 0.756 593 E HN 0.498 nan 8.360 nan 0.000 0.454 594 P HA -0.145 nan 4.420 nan 0.000 0.220 594 P C 0.895 178.262 177.300 0.111 0.000 1.148 594 P CA 1.263 64.464 63.100 0.168 0.000 0.803 594 P CB 0.182 31.994 31.700 0.186 0.000 0.782 595 Q N 0.188 120.151 119.800 0.272 0.000 2.050 595 Q HA -0.072 4.268 4.340 0.000 0.000 0.202 595 Q C 2.580 178.711 176.000 0.219 0.000 0.980 595 Q CA 2.156 58.168 55.803 0.348 0.000 0.840 595 Q CB -1.818 27.110 28.738 0.317 0.000 0.898 595 Q HN 0.317 nan 8.270 nan 0.000 0.424 596 G N -0.600 108.326 108.800 0.209 0.000 2.394 596 G HA2 -0.186 3.775 3.960 0.000 0.000 0.215 596 G HA3 -0.186 3.775 3.960 0.000 0.000 0.215 596 G C 1.301 176.208 174.900 0.012 0.000 1.165 596 G CA 0.128 45.331 45.100 0.172 0.000 0.784 596 G HN 0.255 nan 8.290 nan 0.000 0.535 597 F N 1.724 121.554 119.950 -0.200 0.000 2.206 597 F HA 0.156 4.683 4.527 0.000 0.000 0.298 597 F C 2.943 178.501 175.800 -0.404 0.000 1.090 597 F CA 1.024 58.752 58.000 -0.454 0.000 1.323 597 F CB 0.118 38.699 39.000 -0.699 0.000 1.028 597 F HN 0.225 nan 8.300 nan 0.000 0.492 598 A N -0.534 122.128 122.820 -0.263 0.000 1.902 598 A HA -0.148 4.172 4.320 0.000 0.000 0.217 598 A C 2.237 179.658 177.584 -0.272 0.000 1.181 598 A CA 1.944 53.720 52.037 -0.434 0.000 0.623 598 A CB -1.209 17.130 19.000 -1.103 0.000 0.818 598 A HN 0.189 nan 8.150 nan 0.000 0.443 599 V N -0.255 119.574 119.914 -0.141 0.000 2.427 599 V HA -0.277 3.843 4.120 0.000 0.000 0.248 599 V C 2.583 178.596 176.094 -0.135 0.000 1.051 599 V CA 2.060 64.337 62.300 -0.038 0.000 1.048 599 V CB -0.702 31.161 31.823 0.067 0.000 0.666 599 V HN 0.564 nan 8.190 nan 0.000 0.456 600 M N 0.064 119.510 119.600 -0.256 0.000 2.213 600 M HA -0.138 4.342 4.480 0.000 0.000 0.263 600 M C 2.073 178.172 176.300 -0.336 0.000 1.062 600 M CA 1.969 57.054 55.300 -0.358 0.000 1.105 600 M CB -0.431 31.793 32.600 -0.625 0.000 1.385 600 M HN 0.383 nan 8.290 nan 0.000 0.417 601 A N -0.508 122.106 122.820 -0.343 0.000 2.235 601 A HA 0.326 4.646 4.320 0.000 0.000 0.208 601 A C 1.700 179.197 177.584 -0.146 0.000 1.172 601 A CA 0.860 52.738 52.037 -0.264 0.000 0.786 601 A CB -0.812 18.032 19.000 -0.261 0.000 0.804 601 A HN 0.661 nan 8.150 nan 0.000 0.479 602 G N -0.783 107.947 108.800 -0.116 0.000 2.179 602 G HA2 -0.241 3.719 3.960 0.000 0.000 0.260 602 G HA3 -0.241 3.719 3.960 0.000 0.000 0.260 602 G C 0.194 175.081 174.900 -0.021 0.000 0.977 602 G CA 0.202 45.270 45.100 -0.054 0.000 0.641 602 G HN 0.509 nan 8.290 nan 0.000 0.533 603 I N 1.131 121.686 120.570 -0.026 0.000 2.587 603 I HA 0.349 4.519 4.170 0.000 0.000 0.284 603 I C 1.754 177.953 176.117 0.136 0.000 1.134 603 I CA 1.566 62.889 61.300 0.038 0.000 1.410 603 I CB 0.425 38.426 38.000 0.000 0.000 1.392 603 I HN 0.878 nan 8.210 nan 0.000 0.545 604 G N 4.265 113.103 108.800 0.063 0.000 2.159 604 G HA2 -0.226 3.735 3.960 0.000 0.000 0.256 604 G HA3 -0.226 3.735 3.960 0.000 0.000 0.256 604 G C 0.178 175.062 174.900 -0.026 0.000 0.977 604 G CA -0.184 44.903 45.100 -0.022 0.000 0.652 604 G HN 0.458 nan 8.290 nan 0.000 0.531 605 V N 1.096 121.013 119.914 0.004 0.000 2.521 605 V HA 0.559 4.679 4.120 0.000 0.000 0.286 605 V C 1.476 177.562 176.094 -0.014 0.000 1.034 605 V CA 0.668 62.970 62.300 0.003 0.000 1.045 605 V CB 0.978 32.806 31.823 0.007 0.000 0.974 605 V HN 0.621 nan 8.190 nan 0.000 0.480 606 G N 3.111 111.903 108.800 -0.012 0.000 2.695 606 G HA2 0.285 4.245 3.960 0.000 0.000 0.213 606 G HA3 0.285 4.245 3.960 0.000 0.000 0.213 606 G C 0.566 175.462 174.900 -0.007 0.000 1.406 606 G CA -0.252 44.838 45.100 -0.017 0.000 1.049 606 G HN 0.668 nan 8.290 nan 0.000 0.573 607 E N -0.653 119.543 120.200 -0.007 0.000 2.208 607 E HA 0.216 4.566 4.350 0.000 0.000 0.193 607 E C 1.055 177.657 176.600 0.002 0.000 0.988 607 E CA 0.714 57.112 56.400 -0.003 0.000 0.828 607 E CB 0.118 29.816 29.700 -0.003 0.000 0.763 607 E HN 0.523 nan 8.360 nan 0.000 0.478 608 G N -0.201 108.603 108.800 0.006 0.000 2.349 608 G HA2 0.051 4.011 3.960 0.000 0.000 0.294 608 G HA3 0.051 4.011 3.960 0.000 0.000 0.294 608 G C -2.568 172.341 174.900 0.015 0.000 1.380 608 G CA -0.802 44.304 45.100 0.010 0.000 0.811 608 G HN -0.281 nan 8.290 nan 0.000 0.519 609 P HA 0.004 nan 4.420 nan 0.000 0.225 609 P C 0.586 177.900 177.300 0.023 0.000 1.148 609 P CA 1.554 64.668 63.100 0.023 0.000 0.779 609 P CB 0.131 31.844 31.700 0.021 0.000 0.780 610 D N -1.353 119.057 120.400 0.017 0.000 2.350 610 D HA -0.052 4.588 4.640 0.000 0.000 0.213 610 D C 0.487 176.797 176.300 0.016 0.000 1.031 610 D CA 0.095 54.104 54.000 0.016 0.000 0.861 610 D CB -1.043 39.764 40.800 0.012 0.000 0.926 610 D HN 0.033 nan 8.370 nan 0.000 0.520 611 D N 0.910 121.319 120.400 0.015 0.000 2.455 611 D HA 0.244 4.884 4.640 0.000 0.000 0.234 611 D C 1.112 177.422 176.300 0.017 0.000 1.224 611 D CA -0.197 53.810 54.000 0.011 0.000 0.999 611 D CB 0.512 41.314 40.800 0.003 0.000 1.072 611 D HN 0.101 nan 8.370 nan 0.000 0.514 612 A N 3.240 126.073 122.820 0.022 0.000 2.225 612 A HA -0.135 4.185 4.320 0.000 0.000 0.215 612 A C 1.490 179.093 177.584 0.031 0.000 1.164 612 A CA 0.866 52.922 52.037 0.032 0.000 0.710 612 A CB 0.052 19.072 19.000 0.033 0.000 0.780 612 A HN 0.405 nan 8.150 nan 0.000 0.473 613 D N -0.453 119.955 120.400 0.013 0.000 2.354 613 D HA 0.315 4.955 4.640 0.000 0.000 0.209 613 D C 0.829 177.111 176.300 -0.029 0.000 1.015 613 D CA 0.724 54.725 54.000 0.001 0.000 0.867 613 D CB 0.094 40.890 40.800 -0.007 0.000 0.933 613 D HN 0.409 nan 8.370 nan 0.000 0.520 614 A N 1.710 124.512 122.820 -0.029 0.000 2.450 614 A HA 0.228 4.548 4.320 0.000 0.000 0.255 614 A C -1.176 176.348 177.584 -0.100 0.000 1.096 614 A CA -0.951 51.045 52.037 -0.068 0.000 0.778 614 A CB 0.488 19.469 19.000 -0.032 0.000 1.031 614 A HN -0.022 nan 8.150 nan 0.000 0.494 615 P HA -0.229 nan 4.420 nan 0.000 0.216 615 P C 1.489 178.694 177.300 -0.160 0.000 1.150 615 P CA 2.086 64.871 63.100 -0.525 0.000 0.837 615 P CB 0.087 31.000 31.700 -1.312 0.000 0.786 616 A N -0.032 122.763 122.820 -0.042 0.000 1.940 616 A HA -0.135 4.185 4.320 0.000 0.000 0.219 616 A C 2.506 180.184 177.584 0.156 0.000 1.176 616 A CA 1.958 54.081 52.037 0.143 0.000 0.631 616 A CB -1.660 17.409 19.000 0.115 0.000 0.814 616 A HN 0.092 nan 8.150 nan 0.000 0.446 617 V N -0.088 119.887 119.914 0.101 0.000 2.358 617 V HA -0.239 3.881 4.120 0.000 0.000 0.246 617 V C 2.430 178.615 176.094 0.152 0.000 1.047 617 V CA 2.273 64.639 62.300 0.110 0.000 1.035 617 V CB -0.609 31.257 31.823 0.071 0.000 0.658 617 V HN 0.548 nan 8.190 nan 0.000 0.452 618 K N 0.291 120.798 120.400 0.178 0.000 2.057 618 K HA -0.118 4.202 4.320 0.000 0.000 0.207 618 K C 2.330 179.109 176.600 0.299 0.000 1.049 618 K CA 1.451 57.880 56.287 0.237 0.000 0.931 618 K CB -0.424 32.262 32.500 0.311 0.000 0.714 618 K HN 0.464 nan 8.250 nan 0.000 0.440 619 A N 1.608 124.656 122.820 0.380 0.000 1.865 619 A HA -0.155 4.165 4.320 0.000 0.000 0.217 619 A C 2.139 179.905 177.584 0.303 0.000 1.191 619 A CA 1.370 53.653 52.037 0.409 0.000 0.623 619 A CB -0.771 18.549 19.000 0.532 0.000 0.826 619 A HN 0.167 nan 8.150 nan 0.000 0.444 620 L N -0.583 120.796 121.223 0.259 0.000 2.131 620 L HA -0.178 4.162 4.340 0.000 0.000 0.210 620 L C 1.953 178.934 176.870 0.185 0.000 1.092 620 L CA 1.242 56.210 54.840 0.214 0.000 0.759 620 L CB -0.649 41.529 42.059 0.199 0.000 0.903 620 L HN 0.318 nan 8.230 nan 0.000 0.435 621 D N -0.468 120.036 120.400 0.173 0.000 2.144 621 D HA -0.117 4.523 4.640 0.000 0.000 0.200 621 D C 2.404 178.784 176.300 0.133 0.000 0.978 621 D CA 1.170 55.255 54.000 0.141 0.000 0.833 621 D CB 0.067 40.945 40.800 0.129 0.000 0.961 621 D HN 0.136 nan 8.370 nan 0.000 0.470 622 S N -0.112 115.690 115.700 0.171 0.000 2.383 622 S HA -0.078 4.392 4.470 0.000 0.000 0.227 622 S C 2.310 176.928 174.600 0.029 0.000 1.026 622 S CA 0.358 58.648 58.200 0.151 0.000 0.981 622 S CB -0.092 63.299 63.200 0.319 0.000 0.818 622 S HN 0.075 nan 8.310 nan 0.000 0.472 623 V N 2.640 122.586 119.914 0.053 0.000 2.295 623 V HA -0.218 3.902 4.120 0.000 0.000 0.246 623 V C 2.299 178.374 176.094 -0.032 0.000 1.049 623 V CA 2.091 64.383 62.300 -0.013 0.000 1.024 623 V CB -0.927 30.914 31.823 0.031 0.000 0.648 623 V HN 0.506 nan 8.190 nan 0.000 0.447 624 N N 0.220 118.955 118.700 0.060 0.000 2.069 624 N HA -0.248 4.492 4.740 0.000 0.000 0.191 624 N C 1.806 177.320 175.510 0.007 0.000 1.031 624 N CA 1.983 55.090 53.050 0.095 0.000 0.852 624 N CB -0.158 38.433 38.487 0.173 0.000 1.018 624 N HN 0.554 nan 8.380 nan 0.000 0.423 625 E N -0.148 120.046 120.200 -0.009 0.000 2.046 625 E HA -0.057 4.293 4.350 0.000 0.000 0.190 625 E C 1.803 178.309 176.600 -0.157 0.000 0.982 625 E CA 1.522 57.891 56.400 -0.052 0.000 0.800 625 E CB -0.116 29.579 29.700 -0.008 0.000 0.756 625 E HN 0.510 nan 8.360 nan 0.000 0.449 626 M N -0.628 118.851 119.600 -0.201 0.000 2.486 626 M HA 0.148 4.628 4.480 0.000 0.000 0.264 626 M C 1.540 177.568 176.300 -0.454 0.000 1.125 626 M CA 0.600 55.662 55.300 -0.396 0.000 1.144 626 M CB 0.376 32.795 32.600 -0.302 0.000 1.353 626 M HN 0.079 nan 8.290 nan 0.000 0.466 627 L N -0.809 120.250 121.223 -0.273 0.000 2.638 627 L HA 0.316 4.656 4.340 0.000 0.000 0.232 627 L C 1.165 177.915 176.870 -0.200 0.000 1.099 627 L CA -0.527 54.175 54.840 -0.229 0.000 0.883 627 L CB -0.328 41.621 42.059 -0.184 0.000 1.136 627 L HN 0.156 nan 8.230 nan 0.000 0.492 628 G N 0.941 109.636 108.800 -0.174 0.000 2.406 628 G HA2 0.377 4.337 3.960 0.000 0.000 0.251 628 G HA3 0.377 4.337 3.960 0.000 0.000 0.251 628 G C -0.053 174.779 174.900 -0.113 0.000 1.271 628 G CA 0.296 45.319 45.100 -0.127 0.000 0.859 628 G HN 0.155 nan 8.290 nan 0.000 0.540 629 T N -0.492 114.008 114.554 -0.089 0.000 2.864 629 T HA 0.624 4.974 4.350 0.000 0.000 0.299 629 T C -1.973 172.676 174.700 -0.085 0.000 1.166 629 T CA -1.332 60.725 62.100 -0.072 0.000 1.007 629 T CB 2.645 71.492 68.868 -0.036 0.000 1.219 629 T HN 0.212 nan 8.240 nan 0.000 0.506 630 P HA 0.009 nan 4.420 nan 0.000 0.230 630 P C 0.516 177.609 177.300 -0.346 0.000 1.158 630 P CA 1.053 64.000 63.100 -0.255 0.000 0.769 630 P CB -0.213 31.285 31.700 -0.335 0.000 0.807 631 H N -1.251 117.787 119.070 -0.054 0.000 2.586 631 H HA 0.440 4.996 4.556 0.000 0.000 0.273 631 H C 1.256 176.544 175.328 -0.066 0.000 0.997 631 H CA 0.519 56.535 56.048 -0.054 0.000 1.177 631 H CB 0.535 30.266 29.762 -0.051 0.000 1.471 631 H HN 0.223 nan 8.280 nan 0.000 0.538 632 G N -0.053 108.747 108.800 -0.001 0.000 2.315 632 G HA2 -0.035 3.925 3.960 0.000 0.000 0.296 632 G HA3 -0.035 3.925 3.960 0.000 0.000 0.296 632 G C -1.734 173.100 174.900 -0.111 0.000 1.289 632 G CA -1.102 43.966 45.100 -0.054 0.000 0.996 632 G HN 0.060 nan 8.290 nan 0.000 0.487 633 L N 1.192 122.316 121.223 -0.165 0.000 2.272 633 L HA 0.591 4.931 4.340 0.000 0.000 0.289 633 L C 1.210 178.001 176.870 -0.131 0.000 1.032 633 L CA -1.202 53.521 54.840 -0.195 0.000 0.810 633 L CB 1.323 43.206 42.059 -0.293 0.000 1.205 633 L HN 0.770 nan 8.230 nan 0.000 0.422 634 V N 1.414 121.252 119.914 -0.126 0.000 3.051 634 V HA 0.072 4.192 4.120 0.000 0.000 0.306 634 V C 1.230 177.258 176.094 -0.108 0.000 1.083 634 V CA -0.213 62.022 62.300 -0.108 0.000 1.104 634 V CB 1.335 33.089 31.823 -0.116 0.000 1.027 634 V HN 0.863 nan 8.190 nan 0.000 0.483 635 L N 0.845 122.010 121.223 -0.097 0.000 2.017 635 L HA -0.003 4.337 4.340 0.000 0.000 0.208 635 L C 1.280 178.004 176.870 -0.243 0.000 1.073 635 L CA 1.902 56.675 54.840 -0.112 0.000 0.745 635 L CB -0.148 41.855 42.059 -0.093 0.000 0.894 635 L HN 1.106 nan 8.230 nan 0.000 0.432 636 Q N -1.921 117.657 119.800 -0.368 0.000 2.590 636 Q HA 0.213 4.553 4.340 0.000 0.000 0.295 636 Q C -1.869 173.938 176.000 -0.322 0.000 0.973 636 Q CA -0.746 54.747 55.803 -0.516 0.000 0.768 636 Q CB 1.748 29.739 28.738 -1.245 0.000 1.479 636 Q HN 0.056 nan 8.270 nan 0.000 0.419 637 Y N 0.401 120.434 120.300 -0.445 0.000 2.482 637 Y HA 0.573 5.123 4.550 0.000 0.000 0.334 637 Y C -2.988 172.726 175.900 -0.310 0.000 1.091 637 Y CA -1.611 56.283 58.100 -0.344 0.000 1.027 637 Y CB 2.705 41.000 38.460 -0.275 0.000 1.306 637 Y HN 0.502 nan 8.280 nan 0.000 0.446 638 P HA 0.416 nan 4.420 nan 0.000 0.276 638 P C -1.146 175.785 177.300 -0.615 0.000 1.252 638 P CA -0.314 62.163 63.100 -1.039 0.000 0.802 638 P CB 0.888 32.038 31.700 -0.915 0.000 1.035 639 A N 0.963 123.539 122.820 -0.406 0.000 2.386 639 A HA 0.242 4.562 4.320 0.000 0.000 0.248 639 A C -0.663 176.729 177.584 -0.321 0.000 1.082 639 A CA 0.039 51.874 52.037 -0.337 0.000 0.789 639 A CB -0.628 18.279 19.000 -0.154 0.000 1.025 639 A HN 0.428 nan 8.150 nan 0.000 0.490 640 Y N 0.623 120.876 120.300 -0.078 0.000 2.442 640 Y HA 0.201 4.751 4.550 0.000 0.000 0.330 640 Y C 1.944 177.844 175.900 -0.000 0.000 1.129 640 Y CA 0.978 59.062 58.100 -0.026 0.000 1.365 640 Y CB 0.776 39.242 38.460 0.009 0.000 1.233 640 Y HN 0.763 nan 8.280 nan 0.000 0.529 641 T N -2.629 112.011 114.554 0.143 0.000 3.060 641 T HA 0.148 4.498 4.350 0.000 0.000 0.249 641 T C 0.422 175.191 174.700 0.115 0.000 1.079 641 T CA 0.468 62.627 62.100 0.099 0.000 1.013 641 T CB -0.207 68.691 68.868 0.050 0.000 0.975 641 T HN 0.636 nan 8.240 nan 0.000 0.518 642 T N -1.444 113.198 114.554 0.148 0.000 2.864 642 T HA 0.485 4.835 4.350 0.000 0.000 0.299 642 T C -1.083 173.718 174.700 0.168 0.000 1.166 642 T CA -1.087 61.096 62.100 0.138 0.000 1.007 642 T CB 1.294 70.227 68.868 0.108 0.000 1.219 642 T HN 0.228 nan 8.240 nan 0.000 0.506 643 Y N 2.032 122.340 120.300 0.014 0.000 2.605 643 Y HA 0.211 4.761 4.550 0.000 0.000 0.336 643 Y C 0.217 176.088 175.900 -0.049 0.000 1.111 643 Y CA -0.572 57.514 58.100 -0.023 0.000 1.422 643 Y CB 0.485 38.944 38.460 -0.002 0.000 1.193 643 Y HN 0.471 nan 8.280 nan 0.000 0.526 644 Q N 8.237 127.804 119.800 -0.389 0.000 2.503 644 Q HA 0.088 4.428 4.340 0.000 0.000 0.227 644 Q C 1.146 176.676 176.000 -0.785 0.000 1.109 644 Q CA -0.029 55.478 55.803 -0.493 0.000 0.922 644 Q CB 1.202 29.651 28.738 -0.481 0.000 1.249 644 Q HN 0.993 nan 8.270 nan 0.000 0.530 645 I N 2.054 122.086 120.570 -0.896 0.000 2.315 645 I HA -0.306 3.864 4.170 0.000 0.000 0.251 645 I C 1.972 177.690 176.117 -0.665 0.000 1.125 645 I CA 1.569 62.375 61.300 -0.823 0.000 1.392 645 I CB 0.393 38.165 38.000 -0.380 0.000 1.065 645 I HN 0.535 nan 8.210 nan 0.000 0.424 646 E N 0.851 120.681 120.200 -0.616 0.000 2.502 646 E HA -0.121 4.229 4.350 0.000 0.000 0.194 646 E C 1.649 177.845 176.600 -0.674 0.000 1.062 646 E CA 0.665 56.512 56.400 -0.922 0.000 0.867 646 E CB -0.195 29.194 29.700 -0.518 0.000 0.888 646 E HN 0.582 nan 8.360 nan 0.000 0.510 647 L N -0.144 120.784 121.223 -0.490 0.000 2.590 647 L HA 0.298 4.638 4.340 0.000 0.000 0.227 647 L C 1.324 178.031 176.870 -0.272 0.000 1.099 647 L CA 0.209 54.842 54.840 -0.344 0.000 0.872 647 L CB 0.085 41.948 42.059 -0.327 0.000 1.088 647 L HN 0.346 nan 8.230 nan 0.000 0.479 648 G N 1.146 109.786 108.800 -0.266 0.000 2.496 648 G HA2 -0.354 3.607 3.960 0.000 0.000 0.243 648 G HA3 -0.354 3.607 3.960 0.000 0.000 0.243 648 G C 0.513 175.046 174.900 -0.611 0.000 1.176 648 G CA 0.348 45.331 45.100 -0.196 0.000 0.940 648 G HN 0.254 nan 8.290 nan 0.000 0.573 649 E N -0.302 119.271 120.200 -1.044 0.000 2.204 649 E HA 0.038 4.388 4.350 0.000 0.000 0.194 649 E C 2.600 178.919 176.600 -0.469 0.000 0.989 649 E CA 1.654 57.295 56.400 -1.265 0.000 0.824 649 E CB -0.111 29.052 29.700 -0.895 0.000 0.756 649 E HN 0.793 nan 8.360 nan 0.000 0.477 650 V N 1.315 121.109 119.914 -0.200 0.000 2.250 650 V HA -0.337 3.783 4.120 0.000 0.000 0.253 650 V C 2.159 178.294 176.094 0.069 0.000 1.065 650 V CA 2.815 65.128 62.300 0.022 0.000 1.039 650 V CB -0.577 31.322 31.823 0.125 0.000 0.647 650 V HN 0.577 nan 8.190 nan 0.000 0.446 651 S N -0.909 114.780 115.700 -0.018 0.000 2.607 651 S HA -0.082 4.388 4.470 0.000 0.000 0.224 651 S C 1.638 176.291 174.600 0.087 0.000 0.969 651 S CA 1.022 59.265 58.200 0.071 0.000 0.927 651 S CB -0.577 62.597 63.200 -0.043 0.000 0.772 651 S HN 0.902 nan 8.310 nan 0.000 0.533 652 T N -2.275 112.247 114.554 -0.054 0.000 3.067 652 T HA 0.164 4.514 4.350 0.000 0.000 0.261 652 T C 0.350 174.960 174.700 -0.150 0.000 1.110 652 T CA -0.069 61.928 62.100 -0.172 0.000 1.113 652 T CB -0.675 67.980 68.868 -0.355 0.000 0.917 652 T HN 0.459 nan 8.240 nan 0.000 0.499 653 Y N 2.494 122.797 120.300 0.005 0.000 2.309 653 Y HA 0.410 4.960 4.550 0.000 0.000 0.327 653 Y C -2.191 173.760 175.900 0.085 0.000 1.172 653 Y CA -2.804 55.321 58.100 0.042 0.000 1.280 653 Y CB 0.630 39.130 38.460 0.067 0.000 1.234 653 Y HN 0.044 nan 8.280 nan 0.000 0.512 654 P HA 0.035 nan 4.420 nan 0.000 0.269 654 P C -2.574 174.900 177.300 0.289 0.000 1.209 654 P CA -1.048 62.199 63.100 0.244 0.000 0.776 654 P CB 0.129 31.964 31.700 0.225 0.000 0.876 655 P HA 0.015 nan 4.420 nan 0.000 0.262 655 P C 0.929 178.211 177.300 -0.030 0.000 1.182 655 P CA 1.599 64.739 63.100 0.067 0.000 0.761 655 P CB -0.023 31.693 31.700 0.025 0.000 0.795 656 G N 1.350 110.067 108.800 -0.138 0.000 2.176 656 G HA2 -0.215 3.745 3.960 0.000 0.000 0.232 656 G HA3 -0.215 3.745 3.960 0.000 0.000 0.232 656 G C -0.464 174.093 174.900 -0.571 0.000 0.986 656 G CA -0.469 44.404 45.100 -0.377 0.000 0.643 656 G HN 0.459 nan 8.290 nan 0.000 0.522 657 Y N 0.314 120.571 120.300 -0.072 0.000 2.446 657 Y HA 0.640 5.190 4.550 0.000 0.000 0.345 657 Y C 1.157 176.893 175.900 -0.273 0.000 0.984 657 Y CA -0.677 57.339 58.100 -0.140 0.000 1.058 657 Y CB 1.477 39.883 38.460 -0.090 0.000 1.220 657 Y HN 0.121 nan 8.280 nan 0.000 0.455 658 K N 0.329 120.631 120.400 -0.163 0.000 1.939 658 K HA -0.320 4.001 4.320 0.000 0.000 0.165 658 K C 0.792 177.398 176.600 0.010 0.000 1.508 658 K CA 1.712 57.864 56.287 -0.224 0.000 0.525 658 K CB -0.752 31.166 32.500 -0.969 0.000 0.615 658 K HN 0.917 nan 8.250 nan 0.000 0.888 659 E N 1.511 121.641 120.200 -0.117 0.000 2.478 659 E HA -0.016 4.334 4.350 0.000 0.000 0.198 659 E C 0.756 177.305 176.600 -0.085 0.000 1.046 659 E CA 0.444 56.778 56.400 -0.111 0.000 0.870 659 E CB -0.182 29.416 29.700 -0.170 0.000 0.818 659 E HN 0.301 nan 8.360 nan 0.000 0.527 660 N N -0.308 118.371 118.700 -0.035 0.000 2.936 660 N HA 0.182 4.923 4.740 0.000 0.000 0.243 660 N C -0.000 175.468 175.510 -0.070 0.000 1.149 660 N CA 0.279 53.323 53.050 -0.009 0.000 0.914 660 N CB 0.304 38.884 38.487 0.154 0.000 1.179 660 N HN 0.193 nan 8.380 nan 0.000 0.502 661 G N 1.541 110.251 108.800 -0.150 0.000 2.176 661 G HA2 -0.230 3.730 3.960 0.000 0.000 0.253 661 G HA3 -0.230 3.730 3.960 0.000 0.000 0.253 661 G C 0.428 175.244 174.900 -0.141 0.000 0.979 661 G CA -0.089 44.921 45.100 -0.149 0.000 0.641 661 G HN 0.687 nan 8.290 nan 0.000 0.530 662 G N -0.643 108.091 108.800 -0.110 0.000 2.562 662 G HA2 0.564 4.524 3.960 0.000 0.000 0.275 662 G HA3 0.564 4.524 3.960 0.000 0.000 0.275 662 G C 0.146 175.010 174.900 -0.060 0.000 1.196 662 G CA -0.768 44.261 45.100 -0.118 0.000 0.908 662 G HN 0.607 nan 8.290 nan 0.000 0.524 663 I N 0.755 121.271 120.570 -0.090 0.000 2.269 663 I HA 0.124 4.294 4.170 0.000 0.000 0.293 663 I C -0.591 175.501 176.117 -0.042 0.000 1.106 663 I CA -0.192 61.073 61.300 -0.058 0.000 1.248 663 I CB 0.475 38.429 38.000 -0.077 0.000 1.444 663 I HN 0.225 nan 8.210 nan 0.000 0.497 664 F N 5.860 125.766 119.950 -0.073 0.000 2.567 664 F HA 0.124 4.651 4.527 0.000 0.000 0.352 664 F C 1.598 177.383 175.800 -0.025 0.000 1.229 664 F CA -0.069 57.919 58.000 -0.021 0.000 1.228 664 F CB 0.216 39.259 39.000 0.072 0.000 1.568 664 F HN 0.604 nan 8.300 nan 0.000 0.634 665 C N 1.052 120.335 119.300 -0.028 0.000 2.397 665 C HA -0.331 4.130 4.460 0.000 0.000 0.279 665 C C 2.877 177.849 174.990 -0.030 0.000 1.206 665 C CA 2.012 61.014 59.018 -0.026 0.000 1.818 665 C CB -1.741 25.985 27.740 -0.023 0.000 2.087 665 C HN 0.901 nan 8.230 nan 0.000 0.488 666 H N 2.148 121.183 119.070 -0.058 0.000 2.353 666 H HA -0.170 4.386 4.556 0.000 0.000 0.298 666 H C 1.890 176.748 175.328 -0.784 0.000 1.103 666 H CA 1.946 57.886 56.048 -0.181 0.000 1.293 666 H CB -0.102 29.777 29.762 0.195 0.000 1.372 666 H HN 0.716 nan 8.280 nan 0.000 0.501 667 N N -0.350 117.968 118.700 -0.637 0.000 2.461 667 N HA -0.071 4.670 4.740 0.000 0.000 0.188 667 N C 0.984 176.149 175.510 -0.574 0.000 1.134 667 N CA 0.690 53.013 53.050 -1.211 0.000 0.878 667 N CB -0.243 37.702 38.487 -0.902 0.000 0.972 667 N HN 0.316 nan 8.380 nan 0.000 0.456 668 N N 1.009 119.506 118.700 -0.338 0.000 2.142 668 N HA 0.004 4.745 4.740 0.000 0.000 0.186 668 N C -1.105 174.342 175.510 -0.105 0.000 1.023 668 N CA 0.830 53.772 53.050 -0.181 0.000 0.852 668 N CB -1.049 37.367 38.487 -0.117 0.000 0.998 668 N HN 0.292 nan 8.380 nan 0.000 0.424 669 P HA -0.084 nan 4.420 nan 0.000 0.222 669 P C 0.681 178.049 177.300 0.113 0.000 1.147 669 P CA 0.840 63.962 63.100 0.037 0.000 0.790 669 P CB -0.021 31.733 31.700 0.091 0.000 0.780 670 W N -1.095 120.137 121.300 -0.114 0.000 2.418 670 W HA -0.014 4.646 4.660 0.000 0.000 0.292 670 W C 2.006 178.472 176.519 -0.089 0.000 1.213 670 W CA 0.443 57.681 57.345 -0.179 0.000 1.283 670 W CB -1.609 27.745 29.460 -0.177 0.000 1.119 670 W HN -0.182 nan 8.180 nan 0.000 0.542 671 V N 0.495 120.517 119.914 0.179 0.000 2.548 671 V HA -0.249 3.871 4.120 0.000 0.000 0.249 671 V C 2.121 178.338 176.094 0.205 0.000 1.055 671 V CA 1.247 63.638 62.300 0.151 0.000 1.065 671 V CB -0.720 31.133 31.823 0.050 0.000 0.681 671 V HN 0.018 nan 8.190 nan 0.000 0.462 672 I N -0.167 120.529 120.570 0.210 0.000 2.142 672 I HA -0.271 3.899 4.170 0.000 0.000 0.240 672 I C 2.301 178.497 176.117 0.133 0.000 1.078 672 I CA 1.925 63.367 61.300 0.237 0.000 1.343 672 I CB -0.307 37.833 38.000 0.232 0.000 1.046 672 I HN 0.224 nan 8.210 nan 0.000 0.405 673 I N 0.687 121.293 120.570 0.061 0.000 2.226 673 I HA -0.280 3.890 4.170 0.000 0.000 0.245 673 I C 2.844 178.898 176.117 -0.105 0.000 1.100 673 I CA 1.225 62.452 61.300 -0.121 0.000 1.374 673 I CB -0.545 37.271 38.000 -0.308 0.000 1.057 673 I HN 0.197 nan 8.210 nan 0.000 0.413 674 A N 0.631 123.431 122.820 -0.032 0.000 1.892 674 A HA -0.244 4.076 4.320 0.000 0.000 0.218 674 A C 2.243 179.850 177.584 0.038 0.000 1.188 674 A CA 1.739 53.772 52.037 -0.006 0.000 0.631 674 A CB -0.545 18.489 19.000 0.056 0.000 0.822 674 A HN 0.364 nan 8.150 nan 0.000 0.447 675 E N -0.432 119.819 120.200 0.085 0.000 2.118 675 E HA -0.174 4.176 4.350 0.000 0.000 0.195 675 E C 2.316 178.949 176.600 0.055 0.000 0.992 675 E CA 1.927 58.377 56.400 0.083 0.000 0.804 675 E CB -0.791 28.968 29.700 0.098 0.000 0.741 675 E HN 0.863 nan 8.360 nan 0.000 0.458 676 T N -1.554 113.032 114.554 0.053 0.000 2.995 676 T HA -0.034 4.316 4.350 0.000 0.000 0.269 676 T C 2.097 176.831 174.700 0.057 0.000 1.091 676 T CA 0.876 63.015 62.100 0.066 0.000 1.128 676 T CB -0.301 68.637 68.868 0.117 0.000 0.891 676 T HN -0.065 nan 8.240 nan 0.000 0.492 677 V N 2.249 122.180 119.914 0.028 0.000 2.379 677 V HA -0.063 4.057 4.120 0.000 0.000 0.245 677 V C 2.920 179.030 176.094 0.027 0.000 1.044 677 V CA 1.540 63.852 62.300 0.021 0.000 1.036 677 V CB -0.315 31.495 31.823 -0.021 0.000 0.664 677 V HN 0.659 nan 8.190 nan 0.000 0.453 678 V N -1.281 118.653 119.914 0.033 0.000 3.461 678 V HA 0.451 4.571 4.120 0.000 0.000 0.267 678 V C 1.439 177.552 176.094 0.032 0.000 1.186 678 V CA 0.864 63.185 62.300 0.036 0.000 1.154 678 V CB -0.647 31.205 31.823 0.050 0.000 0.802 678 V HN 0.758 nan 8.190 nan 0.000 0.474 679 G N 1.147 109.967 108.800 0.033 0.000 2.142 679 G HA2 -0.229 3.731 3.960 0.000 0.000 0.225 679 G HA3 -0.229 3.731 3.960 0.000 0.000 0.225 679 G C 0.170 175.083 174.900 0.023 0.000 1.015 679 G CA 0.147 45.263 45.100 0.027 0.000 0.716 679 G HN 0.601 nan 8.290 nan 0.000 0.508 680 R N 0.317 120.831 120.500 0.024 0.000 3.057 680 R HA 0.398 4.738 4.340 0.000 0.000 0.291 680 R C 1.854 178.157 176.300 0.005 0.000 1.394 680 R CA 0.018 56.124 56.100 0.010 0.000 1.630 680 R CB 0.539 30.843 30.300 0.007 0.000 1.268 680 R HN 0.275 nan 8.270 nan 0.000 0.621 681 G N 1.051 109.860 108.800 0.014 0.000 2.469 681 G HA2 -0.349 3.611 3.960 0.000 0.000 0.220 681 G HA3 -0.349 3.611 3.960 0.000 0.000 0.220 681 G C 1.425 176.343 174.900 0.030 0.000 1.136 681 G CA 1.087 46.199 45.100 0.020 0.000 0.759 681 G HN 0.505 nan 8.290 nan 0.000 0.562 682 A N 0.261 123.091 122.820 0.015 0.000 1.908 682 A HA -0.131 4.189 4.320 0.000 0.000 0.218 682 A C 2.300 179.868 177.584 -0.027 0.000 1.181 682 A CA 2.171 54.226 52.037 0.030 0.000 0.627 682 A CB -0.513 18.493 19.000 0.010 0.000 0.818 682 A HN 0.467 nan 8.150 nan 0.000 0.445 683 Q N -0.731 118.999 119.800 -0.116 0.000 2.079 683 Q HA -0.016 4.324 4.340 0.000 0.000 0.200 683 Q C 2.145 177.866 176.000 -0.465 0.000 0.974 683 Q CA 1.582 57.187 55.803 -0.331 0.000 0.840 683 Q CB -0.382 28.163 28.738 -0.322 0.000 0.898 683 Q HN 0.598 nan 8.270 nan 0.000 0.430 684 A N 0.122 122.839 122.820 -0.172 0.000 1.883 684 A HA -0.199 4.121 4.320 0.000 0.000 0.217 684 A C 1.883 179.532 177.584 0.109 0.000 1.186 684 A CA 1.419 53.452 52.037 -0.005 0.000 0.624 684 A CB -1.027 18.021 19.000 0.080 0.000 0.822 684 A HN 0.609 nan 8.150 nan 0.000 0.444 685 F N 1.371 121.289 119.950 -0.053 0.000 2.216 685 F HA -0.134 4.393 4.527 0.000 0.000 0.300 685 F C 1.835 177.634 175.800 -0.003 0.000 1.085 685 F CA 1.657 59.657 58.000 -0.001 0.000 1.326 685 F CB -0.468 38.513 39.000 -0.031 0.000 1.027 685 F HN 0.422 nan 8.300 nan 0.000 0.497 686 D N -0.745 119.581 120.400 -0.123 0.000 2.104 686 D HA -0.270 4.370 4.640 0.000 0.000 0.194 686 D C 2.162 178.385 176.300 -0.128 0.000 0.994 686 D CA 1.848 55.705 54.000 -0.238 0.000 0.830 686 D CB -0.554 40.102 40.800 -0.239 0.000 0.959 686 D HN 0.288 nan 8.370 nan 0.000 0.452 687 Y N -0.478 119.788 120.300 -0.057 0.000 2.224 687 Y HA -0.132 4.418 4.550 0.000 0.000 0.289 687 Y C 2.300 178.176 175.900 -0.039 0.000 1.146 687 Y CA 0.819 58.895 58.100 -0.039 0.000 1.182 687 Y CB -1.555 36.916 38.460 0.018 0.000 0.983 687 Y HN 0.165 nan 8.280 nan 0.000 0.524 688 Y N 1.247 121.557 120.300 0.016 0.000 2.128 688 Y HA -0.245 4.305 4.550 0.000 0.000 0.284 688 Y C 2.160 177.939 175.900 -0.202 0.000 1.154 688 Y CA 1.846 59.925 58.100 -0.035 0.000 1.149 688 Y CB -0.427 38.035 38.460 0.002 0.000 0.976 688 Y HN -0.006 nan 8.280 nan 0.000 0.505 689 K N -0.049 119.982 120.400 -0.615 0.000 2.147 689 K HA -0.162 4.158 4.320 0.000 0.000 0.205 689 K C 2.138 178.437 176.600 -0.501 0.000 1.049 689 K CA 1.490 57.186 56.287 -0.986 0.000 0.936 689 K CB -0.179 31.586 32.500 -1.225 0.000 0.722 689 K HN 0.376 nan 8.250 nan 0.000 0.446 690 R N 0.788 121.122 120.500 -0.276 0.000 2.120 690 R HA -0.106 4.234 4.340 0.000 0.000 0.234 690 R C 2.244 178.482 176.300 -0.103 0.000 1.123 690 R CA 1.512 57.524 56.100 -0.147 0.000 0.975 690 R CB -0.326 29.939 30.300 -0.059 0.000 0.866 690 R HN 0.396 nan 8.270 nan 0.000 0.446 691 I N -3.173 117.335 120.570 -0.102 0.000 4.082 691 I HA 0.213 4.383 4.170 0.000 0.000 0.337 691 I C -0.171 175.888 176.117 -0.096 0.000 1.352 691 I CA -0.223 61.053 61.300 -0.040 0.000 1.097 691 I CB 0.674 38.706 38.000 0.054 0.000 1.048 691 I HN -0.270 nan 8.210 nan 0.000 0.393 692 T N 4.178 118.596 114.554 -0.227 0.000 2.832 692 T HA 0.207 4.557 4.350 0.000 0.000 0.296 692 T C -1.637 172.831 174.700 -0.386 0.000 0.968 692 T CA -0.648 61.225 62.100 -0.378 0.000 1.107 692 T CB 1.406 69.979 68.868 -0.492 0.000 0.916 692 T HN 0.018 nan 8.240 nan 0.000 0.517 693 P HA -0.242 nan 4.420 nan 0.000 0.216 693 P C 1.493 178.612 177.300 -0.302 0.000 1.167 693 P CA 1.472 64.254 63.100 -0.530 0.000 0.914 693 P CB 0.039 31.392 31.700 -0.577 0.000 0.793 694 A N -2.138 120.515 122.820 -0.279 0.000 2.032 694 A HA -0.232 4.088 4.320 0.000 0.000 0.221 694 A C 1.895 179.271 177.584 -0.348 0.000 1.165 694 A CA 1.712 53.554 52.037 -0.324 0.000 0.645 694 A CB -1.837 16.812 19.000 -0.585 0.000 0.807 694 A HN 0.246 nan 8.150 nan 0.000 0.453 695 Y N -1.346 118.843 120.300 -0.185 0.000 2.490 695 Y HA 0.119 4.669 4.550 0.000 0.000 0.285 695 Y C 2.362 178.177 175.900 -0.143 0.000 1.117 695 Y CA 0.817 58.823 58.100 -0.156 0.000 1.262 695 Y CB 0.100 38.431 38.460 -0.215 0.000 1.043 695 Y HN 0.174 nan 8.280 nan 0.000 0.553 696 R N 0.107 120.565 120.500 -0.071 0.000 2.317 696 R HA -0.015 4.325 4.340 0.000 0.000 0.208 696 R C 1.824 178.056 176.300 -0.113 0.000 0.914 696 R CA 0.174 56.203 56.100 -0.117 0.000 1.060 696 R CB 0.077 30.217 30.300 -0.267 0.000 1.015 696 R HN 0.384 nan 8.270 nan 0.000 0.498 697 E N 1.400 121.546 120.200 -0.090 0.000 2.118 697 E HA -0.218 4.132 4.350 0.000 0.000 0.195 697 E C 0.531 177.155 176.600 0.041 0.000 0.992 697 E CA 1.357 57.734 56.400 -0.038 0.000 0.804 697 E CB 0.145 29.885 29.700 0.066 0.000 0.741 697 E HN 0.166 nan 8.360 nan 0.000 0.458 698 D N 0.285 120.710 120.400 0.042 0.000 2.378 698 D HA -0.084 4.556 4.640 0.000 0.000 0.222 698 D C 1.083 177.420 176.300 0.063 0.000 0.980 698 D CA 0.774 54.805 54.000 0.052 0.000 0.907 698 D CB -0.016 40.808 40.800 0.041 0.000 0.899 698 D HN 0.484 nan 8.370 nan 0.000 0.527 699 I N -3.202 117.412 120.570 0.073 0.000 3.061 699 I HA 0.312 4.482 4.170 0.000 0.000 0.341 699 I C 0.868 177.082 176.117 0.162 0.000 1.457 699 I CA -0.351 61.014 61.300 0.108 0.000 0.921 699 I CB 0.820 38.885 38.000 0.110 0.000 1.845 699 I HN -0.367 nan 8.210 nan 0.000 0.535 700 S N 2.071 117.899 115.700 0.212 0.000 2.419 700 S HA -0.180 4.290 4.470 0.000 0.000 0.235 700 S C 1.752 176.607 174.600 0.425 0.000 1.019 700 S CA 2.023 60.431 58.200 0.347 0.000 0.982 700 S CB -0.316 63.225 63.200 0.569 0.000 0.789 700 S HN 0.819 nan 8.310 nan 0.000 0.490 701 D N 0.336 120.975 120.400 0.399 0.000 2.312 701 D HA -0.073 4.567 4.640 0.000 0.000 0.211 701 D C 1.685 178.102 176.300 0.195 0.000 0.964 701 D CA 1.192 55.394 54.000 0.338 0.000 0.877 701 D CB -0.426 40.541 40.800 0.277 0.000 0.924 701 D HN 0.388 nan 8.370 nan 0.000 0.515 702 T N -1.084 113.571 114.554 0.169 0.000 3.021 702 T HA -0.082 4.268 4.350 0.000 0.000 0.245 702 T C 1.778 176.516 174.700 0.063 0.000 1.028 702 T CA 0.756 62.914 62.100 0.097 0.000 1.139 702 T CB -0.417 68.511 68.868 0.100 0.000 0.884 702 T HN 0.176 nan 8.240 nan 0.000 0.457 703 H N 1.028 120.102 119.070 0.008 0.000 2.387 703 H HA 0.075 4.631 4.556 0.000 0.000 0.299 703 H C 1.723 177.038 175.328 -0.022 0.000 1.090 703 H CA 2.159 58.176 56.048 -0.052 0.000 1.332 703 H CB 0.087 29.800 29.762 -0.082 0.000 1.386 703 H HN 0.387 nan 8.280 nan 0.000 0.516 704 K N -2.974 117.502 120.400 0.127 0.000 3.870 704 K HA -0.233 4.087 4.320 0.000 0.000 0.370 704 K C 0.009 176.807 176.600 0.329 0.000 0.607 704 K CA 1.434 57.819 56.287 0.163 0.000 1.617 704 K CB -1.445 31.076 32.500 0.036 0.000 1.221 704 K HN 0.116 nan 8.250 nan 0.000 0.485 705 L N 2.012 123.279 121.223 0.072 0.000 2.600 705 L HA 0.171 4.511 4.340 0.000 0.000 0.221 705 L C 0.421 177.049 176.870 -0.403 0.000 1.197 705 L CA 0.236 55.126 54.840 0.083 0.000 0.838 705 L CB 0.089 42.071 42.059 -0.128 0.000 1.474 705 L HN 0.014 nan 8.230 nan 0.000 0.514 706 E N 2.348 122.046 120.200 -0.838 0.000 2.558 706 E HA -0.040 4.310 4.350 0.000 0.000 0.255 706 E C -1.750 173.978 176.600 -1.454 0.000 0.968 706 E CA -0.352 55.037 56.400 -1.685 0.000 0.939 706 E CB 0.096 28.875 29.700 -1.536 0.000 0.921 706 E HN 0.298 nan 8.360 nan 0.000 0.477 707 P HA -0.055 nan 4.420 nan 0.000 0.255 707 P C -0.318 176.389 177.300 -0.989 0.000 1.248 707 P CA 0.617 63.039 63.100 -1.131 0.000 0.807 707 P CB 0.075 31.201 31.700 -0.957 0.000 1.150 708 Y N -0.995 118.710 120.300 -0.993 0.000 2.481 708 Y HA 0.438 4.988 4.550 0.000 0.000 0.247 708 Y C 0.483 176.052 175.900 -0.552 0.000 1.151 708 Y CA -1.144 56.485 58.100 -0.785 0.000 1.238 708 Y CB -0.344 37.391 38.460 -1.208 0.000 1.179 708 Y HN -0.252 nan 8.280 nan 0.000 0.524 709 V N -3.589 115.844 119.914 -0.801 0.000 3.114 709 V HA 0.523 4.643 4.120 0.000 0.000 0.308 709 V C -0.983 174.774 176.094 -0.560 0.000 1.168 709 V CA -1.925 59.977 62.300 -0.664 0.000 1.015 709 V CB 1.205 32.339 31.823 -1.148 0.000 1.050 709 V HN 0.074 nan 8.190 nan 0.000 0.433 710 Y N 1.298 121.420 120.300 -0.297 0.000 2.379 710 Y HA 0.671 5.222 4.550 0.000 0.000 0.337 710 Y C 0.906 176.696 175.900 -0.184 0.000 1.238 710 Y CA 1.014 58.998 58.100 -0.192 0.000 1.405 710 Y CB 1.124 39.524 38.460 -0.100 0.000 1.310 710 Y HN 1.096 nan 8.280 nan 0.000 0.569 711 A N 1.628 124.471 122.820 0.039 0.000 2.354 711 A HA 0.303 4.623 4.320 0.000 0.000 0.321 711 A C 0.785 178.305 177.584 -0.106 0.000 1.125 711 A CA -0.770 51.225 52.037 -0.070 0.000 0.799 711 A CB 1.568 20.483 19.000 -0.141 0.000 1.293 711 A HN 0.873 nan 8.150 nan 0.000 0.452 712 Q N -0.377 119.299 119.800 -0.207 0.000 2.079 712 Q HA -0.059 4.281 4.340 0.000 0.000 0.200 712 Q C 0.280 175.960 176.000 -0.532 0.000 0.974 712 Q CA 1.885 57.496 55.803 -0.321 0.000 0.840 712 Q CB -0.110 28.410 28.738 -0.363 0.000 0.898 712 Q HN 0.825 nan 8.270 nan 0.000 0.430 713 M N -0.698 118.605 119.600 -0.494 0.000 2.433 713 M HA 0.496 4.976 4.480 0.000 0.000 0.290 713 M C -1.878 174.231 176.300 -0.317 0.000 1.173 713 M CA -0.568 54.447 55.300 -0.476 0.000 0.905 713 M CB 2.056 34.277 32.600 -0.632 0.000 1.692 713 M HN -0.069 nan 8.290 nan 0.000 0.462 714 I N 3.239 123.668 120.570 -0.235 0.000 2.406 714 I HA 0.715 4.885 4.170 0.000 0.000 0.290 714 I C 0.309 176.300 176.117 -0.210 0.000 0.999 714 I CA -1.244 59.934 61.300 -0.204 0.000 1.124 714 I CB 2.021 39.950 38.000 -0.118 0.000 1.289 714 I HN 1.067 nan 8.210 nan 0.000 0.441 715 A N 4.775 127.456 122.820 -0.233 0.000 2.567 715 A HA 0.383 4.703 4.320 0.000 0.000 0.240 715 A C 0.789 178.199 177.584 -0.290 0.000 1.053 715 A CA 0.466 52.321 52.037 -0.304 0.000 0.755 715 A CB -0.230 18.592 19.000 -0.297 0.000 0.978 715 A HN 0.906 nan 8.150 nan 0.000 0.507 716 G N 1.061 109.674 108.800 -0.312 0.000 2.588 716 G HA2 0.354 4.314 3.960 0.000 0.000 0.278 716 G HA3 0.354 4.314 3.960 0.000 0.000 0.278 716 G C 0.932 175.723 174.900 -0.181 0.000 1.307 716 G CA -0.025 44.949 45.100 -0.209 0.000 1.016 716 G HN 0.948 nan 8.290 nan 0.000 0.503 717 K N -0.933 119.401 120.400 -0.111 0.000 2.211 717 K HA -0.024 4.296 4.320 0.000 0.000 0.203 717 K C 1.451 178.005 176.600 -0.078 0.000 1.050 717 K CA 1.579 57.822 56.287 -0.073 0.000 0.945 717 K CB 0.072 32.538 32.500 -0.057 0.000 0.732 717 K HN 0.538 nan 8.250 nan 0.000 0.451 718 E N 0.834 120.974 120.200 -0.099 0.000 2.502 718 E HA 0.091 4.441 4.350 0.000 0.000 0.194 718 E C -0.071 176.453 176.600 -0.127 0.000 1.062 718 E CA -0.154 56.197 56.400 -0.081 0.000 0.867 718 E CB 0.440 30.102 29.700 -0.062 0.000 0.888 718 E HN 0.414 nan 8.360 nan 0.000 0.510 719 A N 0.918 123.594 122.820 -0.240 0.000 2.306 719 A HA 0.239 4.559 4.320 0.000 0.000 0.314 719 A C 1.292 178.799 177.584 -0.128 0.000 1.164 719 A CA -0.483 51.355 52.037 -0.331 0.000 0.822 719 A CB 0.855 19.306 19.000 -0.916 0.000 1.130 719 A HN 0.097 nan 8.150 nan 0.000 0.496 720 V N 0.662 120.581 119.914 0.008 0.000 2.759 720 V HA -0.066 4.054 4.120 0.000 0.000 0.256 720 V C 1.387 177.497 176.094 0.027 0.000 1.080 720 V CA 1.737 64.058 62.300 0.035 0.000 1.101 720 V CB -0.840 31.028 31.823 0.074 0.000 0.698 720 V HN 0.793 nan 8.190 nan 0.000 0.477 721 R N 1.156 121.685 120.500 0.048 0.000 2.449 721 R HA 0.545 4.885 4.340 0.000 0.000 0.262 721 R C 0.926 177.170 176.300 -0.092 0.000 1.006 721 R CA 0.362 56.480 56.100 0.030 0.000 1.104 721 R CB -0.025 30.373 30.300 0.164 0.000 1.206 721 R HN 0.583 nan 8.270 nan 0.000 0.538 722 A N 0.563 123.299 122.820 -0.141 0.000 2.598 722 A HA 0.221 4.541 4.320 0.000 0.000 0.239 722 A C 1.401 178.796 177.584 -0.316 0.000 1.032 722 A CA 1.290 53.208 52.037 -0.200 0.000 0.760 722 A CB -0.309 18.628 19.000 -0.105 0.000 0.946 722 A HN 0.631 nan 8.150 nan 0.000 0.512 723 G N 1.680 110.153 108.800 -0.544 0.000 2.234 723 G HA2 -0.203 3.757 3.960 0.000 0.000 0.235 723 G HA3 -0.203 3.757 3.960 0.000 0.000 0.235 723 G C 0.046 174.682 174.900 -0.439 0.000 0.997 723 G CA 0.419 44.932 45.100 -0.978 0.000 0.623 723 G HN 0.900 nan 8.290 nan 0.000 0.514 724 E N 1.115 121.146 120.200 -0.282 0.000 2.259 724 E HA 0.603 4.953 4.350 0.000 0.000 0.281 724 E C 0.518 176.952 176.600 -0.276 0.000 1.027 724 E CA 0.157 56.424 56.400 -0.221 0.000 0.838 724 E CB 1.397 31.025 29.700 -0.121 0.000 1.066 724 E HN 0.616 nan 8.360 nan 0.000 0.401 725 A N 4.028 126.591 122.820 -0.429 0.000 2.282 725 A HA 0.552 4.872 4.320 0.000 0.000 0.319 725 A C -0.283 177.032 177.584 -0.449 0.000 1.121 725 A CA -0.465 51.277 52.037 -0.492 0.000 0.836 725 A CB 0.820 19.320 19.000 -0.833 0.000 1.146 725 A HN 0.548 nan 8.150 nan 0.000 0.494 726 K N 0.084 120.186 120.400 -0.497 0.000 2.512 726 K HA 0.400 4.720 4.320 0.000 0.000 0.263 726 K C -0.971 175.075 176.600 -0.924 0.000 0.966 726 K CA -0.929 54.911 56.287 -0.746 0.000 0.851 726 K CB 1.734 33.931 32.500 -0.506 0.000 1.395 726 K HN 0.841 nan 8.250 nan 0.000 0.440 727 N N 0.846 118.514 118.700 -1.720 0.000 2.681 727 N HA -0.179 4.561 4.740 0.000 0.000 0.259 727 N C -0.528 174.777 175.510 -0.341 0.000 1.066 727 N CA 0.387 52.901 53.050 -0.893 0.000 0.717 727 N CB -0.871 37.351 38.487 -0.442 0.000 0.885 727 N HN 0.659 nan 8.380 nan 0.000 0.547 728 S N -1.242 114.369 115.700 -0.149 0.000 2.624 728 S HA 0.336 4.806 4.470 0.000 0.000 0.263 728 S C 1.023 175.801 174.600 0.297 0.000 1.287 728 S CA 0.348 58.575 58.200 0.044 0.000 0.990 728 S CB 1.107 64.358 63.200 0.084 0.000 0.950 728 S HN 0.640 nan 8.310 nan 0.000 0.561 729 W N -1.136 120.203 121.300 0.064 0.000 0.513 729 W HA -0.269 4.391 4.660 0.000 0.000 0.215 729 W C 0.150 176.679 176.519 0.017 0.000 0.928 729 W CA 1.092 58.485 57.345 0.079 0.000 0.473 729 W CB -1.338 28.252 29.460 0.217 0.000 1.889 729 W HN 0.589 nan 8.180 nan 0.000 0.736 730 L N 2.017 123.425 121.223 0.308 0.000 2.334 730 L HA 0.527 4.867 4.340 0.000 0.000 0.286 730 L C 0.396 177.319 176.870 0.088 0.000 1.108 730 L CA 0.509 55.434 54.840 0.142 0.000 0.875 730 L CB 0.472 42.599 42.059 0.113 0.000 1.246 730 L HN -0.012 nan 8.230 nan 0.000 0.439 731 T N 0.460 115.055 114.554 0.068 0.000 2.957 731 T HA 0.338 4.688 4.350 0.000 0.000 0.336 731 T C 0.897 175.615 174.700 0.030 0.000 1.462 731 T CA -0.006 62.133 62.100 0.064 0.000 1.073 731 T CB 1.651 70.541 68.868 0.037 0.000 1.319 731 T HN 0.535 nan 8.240 nan 0.000 0.485 732 G N 1.456 110.287 108.800 0.051 0.000 2.679 732 G HA2 -0.005 3.955 3.960 0.000 0.000 0.212 732 G HA3 -0.005 3.955 3.960 0.000 0.000 0.212 732 G C 1.256 175.970 174.900 -0.312 0.000 1.137 732 G CA 1.224 46.235 45.100 -0.147 0.000 0.787 732 G HN 0.798 nan 8.290 nan 0.000 0.534 733 T N 1.427 115.847 114.554 -0.222 0.000 2.759 733 T HA -0.070 4.280 4.350 0.000 0.000 0.269 733 T C 2.800 177.289 174.700 -0.352 0.000 1.042 733 T CA 1.417 63.362 62.100 -0.259 0.000 1.140 733 T CB -0.209 68.553 68.868 -0.177 0.000 0.864 733 T HN 0.397 nan 8.240 nan 0.000 0.455 734 A N 1.587 124.282 122.820 -0.208 0.000 1.845 734 A HA 0.146 4.466 4.320 0.000 0.000 0.215 734 A C 2.690 180.260 177.584 -0.022 0.000 1.195 734 A CA 1.911 53.878 52.037 -0.117 0.000 0.616 734 A CB -1.314 17.723 19.000 0.061 0.000 0.832 734 A HN 0.501 nan 8.150 nan 0.000 0.443 735 A N -1.683 121.130 122.820 -0.012 0.000 1.883 735 A HA -0.194 4.126 4.320 0.000 0.000 0.217 735 A C 2.032 179.597 177.584 -0.032 0.000 1.186 735 A CA 1.488 53.520 52.037 -0.007 0.000 0.624 735 A CB -0.997 17.949 19.000 -0.090 0.000 0.822 735 A HN 0.751 nan 8.150 nan 0.000 0.444 736 W N -0.140 121.138 121.300 -0.036 0.000 2.388 736 W HA -0.099 4.561 4.660 0.000 0.000 0.294 736 W C 2.178 178.703 176.519 0.010 0.000 1.212 736 W CA 1.378 58.732 57.345 0.015 0.000 1.271 736 W CB -0.247 29.160 29.460 -0.088 0.000 1.126 736 W HN 0.426 nan 8.180 nan 0.000 0.535 737 N N -0.940 117.830 118.700 0.116 0.000 2.270 737 N HA -0.159 4.581 4.740 0.000 0.000 0.181 737 N C 1.502 177.115 175.510 0.172 0.000 1.016 737 N CA 1.136 54.245 53.050 0.097 0.000 0.870 737 N CB -0.468 37.895 38.487 -0.205 0.000 0.979 737 N HN -0.028 nan 8.380 nan 0.000 0.431 738 F N 0.825 120.795 119.950 0.034 0.000 2.146 738 F HA -0.077 4.450 4.527 0.000 0.000 0.298 738 F C 1.895 177.658 175.800 -0.062 0.000 1.096 738 F CA 0.810 58.808 58.000 -0.003 0.000 1.275 738 F CB -0.344 38.649 39.000 -0.012 0.000 1.008 738 F HN -0.191 nan 8.300 nan 0.000 0.480 739 V N 0.441 120.358 119.914 0.004 0.000 2.295 739 V HA -0.320 3.800 4.120 0.000 0.000 0.246 739 V C 2.724 178.860 176.094 0.070 0.000 1.049 739 V CA 1.808 64.094 62.300 -0.024 0.000 1.024 739 V CB -1.543 30.310 31.823 0.050 0.000 0.648 739 V HN 0.462 nan 8.190 nan 0.000 0.447 740 A N -0.530 122.401 122.820 0.185 0.000 1.851 740 A HA -0.200 4.120 4.320 0.000 0.000 0.216 740 A C 2.474 180.066 177.584 0.012 0.000 1.195 740 A CA 2.322 54.493 52.037 0.224 0.000 0.622 740 A CB -0.892 18.238 19.000 0.216 0.000 0.831 740 A HN 0.342 nan 8.150 nan 0.000 0.444 741 V N 0.523 120.322 119.914 -0.192 0.000 2.379 741 V HA -0.152 3.968 4.120 0.000 0.000 0.245 741 V C 2.851 178.694 176.094 -0.419 0.000 1.044 741 V CA 2.870 64.940 62.300 -0.383 0.000 1.036 741 V CB -0.351 31.142 31.823 -0.550 0.000 0.664 741 V HN 0.808 nan 8.190 nan 0.000 0.453 742 S N -0.983 114.308 115.700 -0.681 0.000 2.387 742 S HA -0.189 4.281 4.470 0.000 0.000 0.226 742 S C 1.835 176.160 174.600 -0.458 0.000 1.026 742 S CA 1.473 59.154 58.200 -0.864 0.000 0.972 742 S CB -0.300 61.740 63.200 -1.934 0.000 0.814 742 S HN 0.748 nan 8.310 nan 0.000 0.477 743 Q N -1.343 118.201 119.800 -0.427 0.000 2.396 743 Q HA 0.236 4.576 4.340 0.000 0.000 0.220 743 Q C 1.068 176.685 176.000 -0.637 0.000 0.900 743 Q CA 0.614 56.133 55.803 -0.474 0.000 0.925 743 Q CB 0.142 28.553 28.738 -0.545 0.000 1.065 743 Q HN 0.711 nan 8.270 nan 0.000 0.535 744 Y N -0.873 119.372 120.300 -0.091 0.000 2.607 744 Y HA 0.135 4.686 4.550 0.000 0.000 0.276 744 Y C 1.712 177.575 175.900 -0.061 0.000 1.117 744 Y CA 0.044 58.116 58.100 -0.047 0.000 1.273 744 Y CB 0.387 38.845 38.460 -0.002 0.000 1.282 744 Y HN -0.072 nan 8.280 nan 0.000 0.514 745 L N -0.503 120.728 121.223 0.013 0.000 2.034 745 L HA -0.112 4.228 4.340 0.000 0.000 0.203 745 L C 1.915 178.705 176.870 -0.133 0.000 1.074 745 L CA 1.220 56.015 54.840 -0.075 0.000 0.748 745 L CB -0.607 41.352 42.059 -0.165 0.000 0.905 745 L HN 0.178 nan 8.230 nan 0.000 0.439 746 L N -0.283 120.825 121.223 -0.190 0.000 2.291 746 L HA 0.005 4.345 4.340 0.000 0.000 0.214 746 L C 1.510 178.393 176.870 0.022 0.000 1.120 746 L CA 0.755 55.496 54.840 -0.165 0.000 0.799 746 L CB -0.731 41.221 42.059 -0.179 0.000 0.925 746 L HN 0.612 nan 8.230 nan 0.000 0.446 747 G N 0.214 108.981 108.800 -0.055 0.000 2.153 747 G HA2 -0.254 3.706 3.960 0.000 0.000 0.252 747 G HA3 -0.254 3.706 3.960 0.000 0.000 0.252 747 G C 0.164 175.004 174.900 -0.099 0.000 0.994 747 G CA 0.178 45.232 45.100 -0.077 0.000 0.698 747 G HN 0.159 nan 8.290 nan 0.000 0.521 748 V N 1.904 121.779 119.914 -0.066 0.000 2.304 748 V HA 0.617 4.737 4.120 0.000 0.000 0.269 748 V C 0.622 176.656 176.094 -0.101 0.000 1.036 748 V CA -0.057 62.209 62.300 -0.056 0.000 0.840 748 V CB 0.655 32.488 31.823 0.018 0.000 1.036 748 V HN 0.660 nan 8.190 nan 0.000 0.466 749 R N 4.216 124.610 120.500 -0.177 0.000 2.628 749 R HA 0.698 5.038 4.340 0.000 0.000 0.288 749 R C -3.286 172.924 176.300 -0.150 0.000 0.980 749 R CA -2.189 53.791 56.100 -0.200 0.000 0.891 749 R CB 1.989 32.081 30.300 -0.346 0.000 1.188 749 R HN 0.267 nan 8.270 nan 0.000 0.450 750 P HA 0.135 nan 4.420 nan 0.000 0.271 750 P C -1.101 176.144 177.300 -0.091 0.000 1.216 750 P CA 0.085 63.165 63.100 -0.033 0.000 0.771 750 P CB 0.799 32.493 31.700 -0.010 0.000 0.864 751 D N 0.497 120.859 120.400 -0.064 0.000 2.585 751 D HA 0.230 4.870 4.640 0.000 0.000 0.254 751 D C 0.698 176.981 176.300 -0.029 0.000 1.067 751 D CA -0.626 53.285 54.000 -0.149 0.000 1.090 751 D CB 0.646 41.379 40.800 -0.112 0.000 1.408 751 D HN 0.184 nan 8.370 nan 0.000 0.554 752 Y N 0.101 120.501 120.300 0.168 0.000 2.181 752 Y HA -0.051 4.499 4.550 0.000 0.000 0.288 752 Y C 1.465 177.592 175.900 0.378 0.000 1.146 752 Y CA 1.426 59.701 58.100 0.292 0.000 1.164 752 Y CB 0.075 38.763 38.460 0.380 0.000 0.982 752 Y HN 0.340 nan 8.280 nan 0.000 0.515 753 D N -1.796 118.812 120.400 0.347 0.000 2.469 753 D HA 0.294 4.934 4.640 0.000 0.000 0.213 753 D C 0.833 177.025 176.300 -0.180 0.000 1.135 753 D CA 0.651 54.791 54.000 0.234 0.000 0.834 753 D CB 1.033 41.930 40.800 0.162 0.000 1.009 753 D HN 0.288 nan 8.370 nan 0.000 0.507 754 G N 0.395 108.840 108.800 -0.591 0.000 2.608 754 G HA2 0.447 4.407 3.960 0.000 0.000 0.291 754 G HA3 0.447 4.407 3.960 0.000 0.000 0.291 754 G C -2.012 172.280 174.900 -1.013 0.000 1.425 754 G CA -0.724 43.738 45.100 -1.063 0.000 0.787 754 G HN 0.022 nan 8.290 nan 0.000 0.484 755 L N 1.185 121.916 121.223 -0.819 0.000 2.264 755 L HA 0.663 5.003 4.340 0.000 0.000 0.289 755 L C -0.051 176.631 176.870 -0.312 0.000 1.044 755 L CA -0.583 53.969 54.840 -0.479 0.000 0.807 755 L CB 1.356 43.070 42.059 -0.576 0.000 1.192 755 L HN 0.288 nan 8.230 nan 0.000 0.425 756 V N 6.044 125.821 119.914 -0.228 0.000 2.583 756 V HA 0.321 4.441 4.120 0.000 0.000 0.287 756 V C -0.118 175.886 176.094 -0.150 0.000 1.051 756 V CA -0.456 61.743 62.300 -0.168 0.000 1.010 756 V CB 1.456 33.194 31.823 -0.143 0.000 0.988 756 V HN 0.519 nan 8.190 nan 0.000 0.478 757 V N 4.014 123.859 119.914 -0.116 0.000 2.340 757 V HA 0.374 4.494 4.120 0.000 0.000 0.277 757 V C -0.532 175.524 176.094 -0.064 0.000 1.017 757 V CA -0.288 61.959 62.300 -0.088 0.000 0.820 757 V CB 1.296 33.071 31.823 -0.080 0.000 1.028 757 V HN 0.983 nan 8.190 nan 0.000 0.436 758 D N 5.428 125.793 120.400 -0.058 0.000 2.656 758 D HA 0.386 5.026 4.640 0.000 0.000 0.303 758 D C -2.745 173.551 176.300 -0.006 0.000 1.199 758 D CA -1.593 52.388 54.000 -0.031 0.000 0.797 758 D CB 1.584 42.367 40.800 -0.029 0.000 1.170 758 D HN 0.254 nan 8.370 nan 0.000 0.509 759 P HA 0.191 nan 4.420 nan 0.000 0.266 759 P C -0.751 176.569 177.300 0.033 0.000 1.195 759 P CA 0.102 63.233 63.100 0.052 0.000 0.768 759 P CB 0.634 32.390 31.700 0.093 0.000 0.838 760 Q N 2.439 122.254 119.800 0.026 0.000 4.082 760 Q HA 0.344 4.684 4.340 0.000 0.000 0.180 760 Q C -0.871 175.125 176.000 -0.007 0.000 0.863 760 Q CA 0.162 55.978 55.803 0.021 0.000 0.772 760 Q CB -0.431 28.337 28.738 0.049 0.000 1.527 760 Q HN 0.449 nan 8.270 nan 0.000 0.441 761 I N -0.483 120.055 120.570 -0.054 0.000 4.240 761 I HA 0.554 4.724 4.170 0.000 0.000 0.331 761 I C 0.572 176.600 176.117 -0.147 0.000 1.381 761 I CA 0.644 61.850 61.300 -0.157 0.000 1.136 761 I CB 0.503 38.287 38.000 -0.359 0.000 1.137 761 I HN 0.596 nan 8.210 nan 0.000 0.411 762 G N 2.139 110.902 108.800 -0.061 0.000 2.757 762 G HA2 -0.191 3.769 3.960 0.000 0.000 0.638 762 G HA3 -0.191 3.769 3.960 0.000 0.000 0.638 762 G C -2.257 172.623 174.900 -0.034 0.000 1.344 762 G CA -0.160 44.925 45.100 -0.025 0.000 0.855 762 G HN 0.080 nan 8.290 nan 0.000 0.537 763 P HA 0.064 nan 4.420 nan 0.000 0.233 763 P C 0.712 178.025 177.300 0.022 0.000 1.167 763 P CA 1.367 64.473 63.100 0.011 0.000 0.770 763 P CB 0.099 31.811 31.700 0.020 0.000 0.837 764 D N -0.032 120.391 120.400 0.039 0.000 2.310 764 D HA -0.016 4.625 4.640 0.000 0.000 0.212 764 D C 0.571 176.890 176.300 0.030 0.000 0.965 764 D CA 0.841 54.897 54.000 0.092 0.000 0.879 764 D CB 0.149 41.118 40.800 0.282 0.000 0.921 764 D HN 0.112 nan 8.370 nan 0.000 0.510 765 V N 2.551 122.420 119.914 -0.074 0.000 2.383 765 V HA 0.114 4.234 4.120 0.000 0.000 0.261 765 V C -1.564 174.559 176.094 0.048 0.000 0.987 765 V CA -0.943 61.326 62.300 -0.051 0.000 0.853 765 V CB 1.906 33.580 31.823 -0.248 0.000 1.095 765 V HN -0.058 nan 8.190 nan 0.000 0.461 766 P HA -0.040 nan 4.420 nan 0.000 0.221 766 P C 0.454 177.776 177.300 0.036 0.000 1.150 766 P CA 1.050 64.173 63.100 0.039 0.000 0.800 766 P CB 0.552 32.268 31.700 0.026 0.000 0.787 767 S N -0.909 114.836 115.700 0.075 0.000 2.543 767 S HA 0.638 5.108 4.470 0.000 0.000 0.271 767 S C -1.076 173.601 174.600 0.129 0.000 1.148 767 S CA -0.764 57.447 58.200 0.018 0.000 0.914 767 S CB 1.357 64.552 63.200 -0.009 0.000 1.096 767 S HN 0.302 nan 8.310 nan 0.000 0.471 768 Y N -1.728 118.553 120.300 -0.032 0.000 2.677 768 Y HA 0.821 5.371 4.550 0.000 0.000 0.334 768 Y C -1.309 174.573 175.900 -0.031 0.000 1.196 768 Y CA -1.035 57.050 58.100 -0.026 0.000 1.059 768 Y CB 0.936 39.377 38.460 -0.032 0.000 1.315 768 Y HN 0.603 nan 8.280 nan 0.000 0.455 769 T N 2.125 116.777 114.554 0.163 0.000 2.881 769 T HA 0.613 4.963 4.350 0.000 0.000 0.290 769 T C -1.424 173.342 174.700 0.112 0.000 1.000 769 T CA -0.673 61.459 62.100 0.053 0.000 0.978 769 T CB 1.673 70.547 68.868 0.009 0.000 0.997 769 T HN 0.627 nan 8.240 nan 0.000 0.443 770 V N 3.209 123.154 119.914 0.052 0.000 2.459 770 V HA 0.525 4.645 4.120 0.000 0.000 0.295 770 V C 0.114 176.140 176.094 -0.113 0.000 1.029 770 V CA -0.590 61.677 62.300 -0.055 0.000 0.874 770 V CB 2.023 33.780 31.823 -0.109 0.000 0.985 770 V HN 0.978 nan 8.190 nan 0.000 0.438 771 T N 5.349 119.810 114.554 -0.155 0.000 2.788 771 T HA 0.538 4.888 4.350 0.000 0.000 0.296 771 T C -0.317 174.277 174.700 -0.176 0.000 1.009 771 T CA -0.439 61.601 62.100 -0.101 0.000 0.949 771 T CB 0.680 69.520 68.868 -0.047 0.000 0.946 771 T HN 0.584 nan 8.240 nan 0.000 0.453 772 R N 3.039 123.479 120.500 -0.100 0.000 2.476 772 R HA 0.588 4.928 4.340 0.000 0.000 0.305 772 R C -1.556 174.811 176.300 0.111 0.000 0.965 772 R CA -0.532 55.519 56.100 -0.082 0.000 0.867 772 R CB 0.870 31.072 30.300 -0.164 0.000 1.176 772 R HN 0.413 nan 8.270 nan 0.000 0.447 773 V N 3.890 123.860 119.914 0.094 0.000 2.383 773 V HA 0.805 4.925 4.120 0.000 0.000 0.275 773 V C -0.237 175.932 176.094 0.124 0.000 1.036 773 V CA -0.213 62.158 62.300 0.120 0.000 0.889 773 V CB 1.054 32.910 31.823 0.054 0.000 0.985 773 V HN 0.913 nan 8.190 nan 0.000 0.459 774 A N 5.225 128.162 122.820 0.195 0.000 2.427 774 A HA 0.797 5.117 4.320 0.000 0.000 0.298 774 A C 0.277 177.878 177.584 0.028 0.000 1.036 774 A CA -0.763 51.324 52.037 0.084 0.000 0.701 774 A CB 1.173 20.217 19.000 0.073 0.000 1.250 774 A HN 0.680 nan 8.150 nan 0.000 0.412 775 R N 1.150 121.553 120.500 -0.161 0.000 3.416 775 R HA -0.222 4.118 4.340 0.000 0.000 0.263 775 R C 1.057 177.318 176.300 -0.066 0.000 1.053 775 R CA 1.505 57.483 56.100 -0.204 0.000 0.705 775 R CB -2.335 27.711 30.300 -0.423 0.000 1.124 775 R HN 2.626 nan 8.270 nan 0.000 0.444 776 G N -2.302 106.475 108.800 -0.037 0.000 2.168 776 G HA2 -0.259 3.701 3.960 0.000 0.000 0.263 776 G HA3 -0.259 3.701 3.960 0.000 0.000 0.263 776 G C 0.249 175.140 174.900 -0.014 0.000 0.977 776 G CA 0.759 45.846 45.100 -0.023 0.000 0.659 776 G HN 1.110 nan 8.290 nan 0.000 0.533 777 A N -0.899 121.931 122.820 0.016 0.000 2.384 777 A HA 0.900 5.220 4.320 0.000 0.000 0.312 777 A C 0.047 177.587 177.584 -0.073 0.000 1.113 777 A CA 0.327 52.323 52.037 -0.068 0.000 0.779 777 A CB 1.450 20.364 19.000 -0.143 0.000 1.307 777 A HN 0.658 nan 8.150 nan 0.000 0.436 778 T N 1.427 115.863 114.554 -0.196 0.000 2.794 778 T HA 0.536 4.886 4.350 0.000 0.000 0.280 778 T C -1.362 173.168 174.700 -0.283 0.000 0.987 778 T CA 0.350 62.378 62.100 -0.119 0.000 0.993 778 T CB 0.167 68.989 68.868 -0.077 0.000 0.939 778 T HN 0.365 nan 8.240 nan 0.000 0.449 779 Y N 1.791 122.074 120.300 -0.028 0.000 2.334 779 Y HA 0.353 4.903 4.550 0.000 0.000 0.336 779 Y C 0.578 176.443 175.900 -0.058 0.000 0.960 779 Y CA -1.050 57.029 58.100 -0.035 0.000 1.164 779 Y CB 1.125 39.567 38.460 -0.029 0.000 1.155 779 Y HN 0.421 nan 8.280 nan 0.000 0.478 780 E N 5.150 125.375 120.200 0.042 0.000 2.046 780 E HA 0.323 4.673 4.350 0.000 0.000 0.279 780 E C -0.713 175.890 176.600 0.005 0.000 0.989 780 E CA -0.224 56.179 56.400 0.004 0.000 0.798 780 E CB 1.201 30.889 29.700 -0.020 0.000 1.086 780 E HN 0.626 nan 8.360 nan 0.000 0.399 781 I N 2.574 123.137 120.570 -0.012 0.000 2.330 781 I HA 0.136 4.306 4.170 0.000 0.000 0.286 781 I C 0.134 176.198 176.117 -0.089 0.000 1.025 781 I CA -0.347 60.930 61.300 -0.039 0.000 1.197 781 I CB 1.073 39.049 38.000 -0.040 0.000 1.358 781 I HN 0.034 nan 8.210 nan 0.000 0.467 782 T N 6.003 120.495 114.554 -0.104 0.000 2.733 782 T HA 0.398 4.748 4.350 0.000 0.000 0.294 782 T C 0.029 174.595 174.700 -0.224 0.000 0.956 782 T CA -0.370 61.642 62.100 -0.146 0.000 0.987 782 T CB 1.234 70.044 68.868 -0.096 0.000 0.920 782 T HN 0.162 nan 8.240 nan 0.000 0.470 783 V N 4.100 123.778 119.914 -0.393 0.000 2.417 783 V HA 0.446 4.566 4.120 0.000 0.000 0.291 783 V C 0.301 176.171 176.094 -0.374 0.000 1.024 783 V CA -0.771 61.233 62.300 -0.493 0.000 0.861 783 V CB 1.868 33.084 31.823 -1.012 0.000 0.985 783 V HN 0.897 nan 8.190 nan 0.000 0.436 784 T N 4.205 118.624 114.554 -0.226 0.000 2.821 784 T HA 0.328 4.678 4.350 0.000 0.000 0.307 784 T C -0.288 174.345 174.700 -0.111 0.000 1.034 784 T CA -0.342 61.675 62.100 -0.138 0.000 0.953 784 T CB 0.336 69.149 68.868 -0.092 0.000 0.968 784 T HN 0.676 nan 8.240 nan 0.000 0.462 785 N N 1.450 120.099 118.700 -0.084 0.000 2.443 785 N HA 0.266 5.006 4.740 0.000 0.000 0.269 785 N C 1.215 176.715 175.510 -0.016 0.000 0.985 785 N CA -0.581 52.446 53.050 -0.039 0.000 0.921 785 N CB 1.328 39.818 38.487 0.006 0.000 1.195 785 N HN 0.358 nan 8.380 nan 0.000 0.492 786 S N 2.510 118.201 115.700 -0.016 0.000 2.436 786 S HA 0.130 4.600 4.470 0.000 0.000 0.228 786 S C 1.552 176.151 174.600 -0.003 0.000 1.014 786 S CA 0.649 58.844 58.200 -0.008 0.000 0.950 786 S CB -0.571 62.623 63.200 -0.010 0.000 0.784 786 S HN 1.065 nan 8.310 nan 0.000 0.504 787 G N 1.205 110.003 108.800 -0.003 0.000 2.162 787 G HA2 -0.138 3.823 3.960 0.000 0.000 0.260 787 G HA3 -0.138 3.823 3.960 0.000 0.000 0.260 787 G C 0.243 175.143 174.900 0.001 0.000 0.976 787 G CA 0.103 45.202 45.100 -0.002 0.000 0.655 787 G HN 1.372 nan 8.290 nan 0.000 0.533 788 A N 1.467 124.287 122.820 0.000 0.000 2.488 788 A HA 0.587 4.907 4.320 0.000 0.000 0.249 788 A C -0.712 176.874 177.584 0.003 0.000 1.083 788 A CA -0.277 51.761 52.037 0.002 0.000 0.768 788 A CB 0.178 19.178 19.000 0.000 0.000 1.017 788 A HN 0.378 nan 8.150 nan 0.000 0.496 789 P HA 0.083 nan 4.420 nan 0.000 0.265 789 P C 1.035 178.339 177.300 0.007 0.000 1.187 789 P CA 1.475 64.579 63.100 0.006 0.000 0.766 789 P CB 0.676 32.380 31.700 0.007 0.000 0.820 790 G N 1.986 110.791 108.800 0.010 0.000 2.328 790 G HA2 -0.295 3.665 3.960 0.000 0.000 0.256 790 G HA3 -0.295 3.665 3.960 0.000 0.000 0.256 790 G C 0.474 175.379 174.900 0.007 0.000 1.014 790 G CA 0.266 45.371 45.100 0.010 0.000 0.620 790 G HN 0.928 nan 8.290 nan 0.000 0.530 791 A N 0.269 123.092 122.820 0.004 0.000 2.522 791 A HA 0.663 4.983 4.320 0.000 0.000 0.256 791 A C 0.620 178.204 177.584 0.001 0.000 1.086 791 A CA 1.002 53.039 52.037 0.001 0.000 0.763 791 A CB 0.197 19.196 19.000 -0.002 0.000 1.024 791 A HN 0.636 nan 8.150 nan 0.000 0.502 792 R N 1.353 121.852 120.500 -0.001 0.000 2.787 792 R HA 0.685 5.025 4.340 0.000 0.000 0.271 792 R C 0.191 176.485 176.300 -0.011 0.000 0.993 792 R CA 0.276 56.374 56.100 -0.002 0.000 0.993 792 R CB 1.585 31.885 30.300 -0.000 0.000 1.155 792 R HN 0.915 nan 8.270 nan 0.000 0.486 793 A N 0.912 123.722 122.820 -0.015 0.000 2.304 793 A HA 0.515 4.835 4.320 0.000 0.000 0.271 793 A C -0.668 176.900 177.584 -0.027 0.000 1.091 793 A CA -0.240 51.781 52.037 -0.026 0.000 0.812 793 A CB 0.405 19.384 19.000 -0.035 0.000 1.056 793 A HN 0.768 nan 8.150 nan 0.000 0.489 794 S N 0.563 116.244 115.700 -0.031 0.000 2.536 794 S HA 0.809 5.279 4.470 0.000 0.000 0.298 794 S C -0.651 173.928 174.600 -0.035 0.000 1.083 794 S CA -0.684 57.498 58.200 -0.029 0.000 0.995 794 S CB 0.976 64.161 63.200 -0.025 0.000 1.058 794 S HN 0.606 nan 8.310 nan 0.000 0.488 795 L N 1.232 122.435 121.223 -0.032 0.000 2.301 795 L HA 0.825 5.165 4.340 0.000 0.000 0.264 795 L C -0.132 176.722 176.870 -0.027 0.000 1.016 795 L CA -0.764 54.056 54.840 -0.033 0.000 0.821 795 L CB 2.344 44.383 42.059 -0.034 0.000 1.346 795 L HN 0.837 nan 8.230 nan 0.000 0.429 796 T N 0.631 115.169 114.554 -0.026 0.000 2.971 796 T HA 0.634 4.984 4.350 0.000 0.000 0.304 796 T C -1.411 173.280 174.700 -0.015 0.000 1.038 796 T CA -0.359 61.728 62.100 -0.020 0.000 1.007 796 T CB 1.442 70.296 68.868 -0.023 0.000 1.055 796 T HN 0.253 nan 8.240 nan 0.000 0.451 797 V N 5.149 125.058 119.914 -0.009 0.000 2.448 797 V HA 0.388 4.508 4.120 0.000 0.000 0.295 797 V C -0.106 175.984 176.094 -0.007 0.000 1.025 797 V CA -0.682 61.617 62.300 -0.001 0.000 0.859 797 V CB 1.573 33.404 31.823 0.012 0.000 0.988 797 V HN 1.088 nan 8.190 nan 0.000 0.431 798 D N 4.409 124.802 120.400 -0.012 0.000 2.702 798 D HA -0.224 4.416 4.640 0.000 0.000 0.233 798 D C 1.301 177.591 176.300 -0.017 0.000 1.164 798 D CA 1.693 55.682 54.000 -0.018 0.000 0.638 798 D CB -0.918 39.870 40.800 -0.021 0.000 1.041 798 D HN 1.403 nan 8.370 nan 0.000 0.422 799 G N -1.737 107.053 108.800 -0.017 0.000 2.213 799 G HA2 -0.063 3.897 3.960 0.000 0.000 0.236 799 G HA3 -0.063 3.897 3.960 0.000 0.000 0.236 799 G C 0.316 175.207 174.900 -0.014 0.000 0.991 799 G CA 0.445 45.536 45.100 -0.016 0.000 0.629 799 G HN 1.170 nan 8.290 nan 0.000 0.517 800 A N 0.995 123.807 122.820 -0.013 0.000 2.356 800 A HA 0.917 5.237 4.320 0.000 0.000 0.323 800 A C -2.476 175.101 177.584 -0.012 0.000 1.119 800 A CA -1.328 50.702 52.037 -0.012 0.000 0.790 800 A CB 2.039 21.033 19.000 -0.009 0.000 1.273 800 A HN 0.192 nan 8.150 nan 0.000 0.452 801 P HA 0.422 nan 4.420 nan 0.000 0.277 801 P C -0.503 176.789 177.300 -0.013 0.000 1.240 801 P CA -0.037 63.054 63.100 -0.014 0.000 0.798 801 P CB 1.311 33.002 31.700 -0.014 0.000 0.979 802 V N -1.428 118.477 119.914 -0.015 0.000 3.040 802 V HA 0.545 4.665 4.120 0.000 0.000 0.312 802 V C -0.502 175.582 176.094 -0.017 0.000 1.115 802 V CA -1.015 61.276 62.300 -0.015 0.000 0.998 802 V CB 2.094 33.908 31.823 -0.015 0.000 1.042 802 V HN 0.325 nan 8.190 nan 0.000 0.433 803 D N 1.667 122.057 120.400 -0.017 0.000 2.304 803 D HA 0.533 5.173 4.640 0.000 0.000 0.247 803 D C 0.846 177.134 176.300 -0.021 0.000 1.089 803 D CA 1.535 55.525 54.000 -0.017 0.000 0.910 803 D CB 1.433 42.224 40.800 -0.014 0.000 1.199 803 D HN 1.455 nan 8.370 nan 0.000 0.426 804 G N 2.010 110.798 108.800 -0.020 0.000 2.633 804 G HA2 -0.329 3.631 3.960 0.000 0.000 0.263 804 G HA3 -0.329 3.631 3.960 0.000 0.000 0.263 804 G C 0.190 175.072 174.900 -0.030 0.000 1.310 804 G CA -0.191 44.895 45.100 -0.023 0.000 0.914 804 G HN 0.628 nan 8.290 nan 0.000 0.569 805 R N -0.356 120.122 120.500 -0.037 0.000 2.613 805 R HA 0.332 4.672 4.340 0.000 0.000 0.361 805 R C -0.142 176.116 176.300 -0.071 0.000 1.072 805 R CA 0.226 56.296 56.100 -0.049 0.000 1.089 805 R CB 0.765 31.039 30.300 -0.043 0.000 1.343 805 R HN 0.374 nan 8.270 nan 0.000 0.571 806 T N 1.071 115.580 114.554 -0.074 0.000 2.791 806 T HA 0.264 4.614 4.350 0.000 0.000 0.288 806 T C -0.234 174.397 174.700 -0.115 0.000 0.999 806 T CA -0.405 61.629 62.100 -0.111 0.000 0.952 806 T CB 2.294 71.101 68.868 -0.102 0.000 0.938 806 T HN -0.185 nan 8.240 nan 0.000 0.444 807 V N 7.363 127.186 119.914 -0.152 0.000 2.334 807 V HA 0.265 4.385 4.120 0.000 0.000 0.267 807 V C -1.871 174.120 176.094 -0.171 0.000 1.040 807 V CA -2.090 60.145 62.300 -0.108 0.000 0.866 807 V CB 0.296 32.089 31.823 -0.050 0.000 1.019 807 V HN 0.691 nan 8.190 nan 0.000 0.468 808 P HA -0.054 nan 4.420 nan 0.000 0.264 808 P C -0.627 176.662 177.300 -0.019 0.000 1.183 808 P CA 0.022 63.054 63.100 -0.114 0.000 0.763 808 P CB 0.282 31.971 31.700 -0.018 0.000 0.807 809 Y N 1.119 121.480 120.300 0.100 0.000 2.721 809 Y HA 0.152 4.703 4.550 0.000 0.000 0.329 809 Y C 1.484 177.476 175.900 0.153 0.000 1.211 809 Y CA 0.320 58.521 58.100 0.169 0.000 1.512 809 Y CB -0.533 38.002 38.460 0.124 0.000 1.249 809 Y HN 0.415 nan 8.280 nan 0.000 0.549 810 A N 6.765 129.801 122.820 0.360 0.000 2.286 810 A HA 0.533 4.853 4.320 0.000 0.000 0.286 810 A C -2.100 175.547 177.584 0.106 0.000 1.097 810 A CA -1.661 50.465 52.037 0.148 0.000 0.821 810 A CB -0.289 18.720 19.000 0.015 0.000 1.076 810 A HN 0.582 nan 8.150 nan 0.000 0.490 811 P HA 0.233 nan 4.420 nan 0.000 0.267 811 P C -0.061 177.241 177.300 0.004 0.000 1.200 811 P CA 0.232 63.350 63.100 0.030 0.000 0.772 811 P CB 0.446 32.155 31.700 0.015 0.000 0.855 812 A N 1.704 124.525 122.820 0.002 0.000 2.531 812 A HA 0.408 4.728 4.320 0.000 0.000 0.236 812 A C 1.508 179.076 177.584 -0.026 0.000 1.062 812 A CA 0.779 52.808 52.037 -0.014 0.000 0.760 812 A CB -1.234 17.758 19.000 -0.014 0.000 0.995 812 A HN 0.941 nan 8.150 nan 0.000 0.501 813 G N 0.739 109.516 108.800 -0.038 0.000 2.217 813 G HA2 -0.171 3.789 3.960 0.000 0.000 0.246 813 G HA3 -0.171 3.789 3.960 0.000 0.000 0.246 813 G C 0.590 175.455 174.900 -0.059 0.000 0.990 813 G CA 0.865 45.940 45.100 -0.041 0.000 0.627 813 G HN 2.131 nan 8.290 nan 0.000 0.522 814 S N -0.402 115.250 115.700 -0.080 0.000 2.672 814 S HA 0.749 5.219 4.470 0.000 0.000 0.276 814 S C -0.193 174.309 174.600 -0.162 0.000 1.207 814 S CA 0.341 58.477 58.200 -0.105 0.000 1.002 814 S CB 2.199 65.339 63.200 -0.101 0.000 0.998 814 S HN 0.556 nan 8.310 nan 0.000 0.542 815 T N 1.692 116.154 114.554 -0.154 0.000 2.791 815 T HA 0.526 4.876 4.350 0.000 0.000 0.288 815 T C -0.819 173.764 174.700 -0.194 0.000 0.999 815 T CA -0.518 61.476 62.100 -0.177 0.000 0.952 815 T CB 1.011 69.816 68.868 -0.106 0.000 0.938 815 T HN 0.549 nan 8.240 nan 0.000 0.444 816 V N 4.921 124.658 119.914 -0.294 0.000 2.398 816 V HA 0.480 4.600 4.120 0.000 0.000 0.286 816 V C 0.209 176.248 176.094 -0.093 0.000 1.026 816 V CA -0.952 61.220 62.300 -0.214 0.000 0.868 816 V CB 1.441 33.066 31.823 -0.330 0.000 0.982 816 V HN 0.713 nan 8.190 nan 0.000 0.443 817 R N 3.550 124.022 120.500 -0.046 0.000 2.239 817 R HA 0.584 4.924 4.340 0.000 0.000 0.332 817 R C -1.207 175.090 176.300 -0.004 0.000 0.988 817 R CA -0.478 55.609 56.100 -0.022 0.000 0.859 817 R CB 1.642 31.923 30.300 -0.032 0.000 1.148 817 R HN 0.540 nan 8.270 nan 0.000 0.482 818 V N 2.738 122.659 119.914 0.012 0.000 2.370 818 V HA 0.215 4.335 4.120 0.000 0.000 0.279 818 V C 0.001 176.077 176.094 -0.030 0.000 1.029 818 V CA -0.759 61.544 62.300 0.005 0.000 0.870 818 V CB 1.564 33.404 31.823 0.029 0.000 0.984 818 V HN 0.593 nan 8.190 nan 0.000 0.451 819 E N 3.317 123.494 120.200 -0.038 0.000 2.134 819 E HA 0.567 4.917 4.350 0.000 0.000 0.278 819 E C -0.950 175.611 176.600 -0.066 0.000 0.959 819 E CA -0.159 56.207 56.400 -0.057 0.000 0.783 819 E CB 1.712 31.384 29.700 -0.048 0.000 1.095 819 E HN 0.514 nan 8.360 nan 0.000 0.399 820 V N 3.601 123.458 119.914 -0.095 0.000 2.513 820 V HA 0.542 4.662 4.120 0.000 0.000 0.299 820 V C -0.210 175.824 176.094 -0.100 0.000 1.035 820 V CA -0.710 61.531 62.300 -0.098 0.000 0.889 820 V CB 2.056 33.803 31.823 -0.126 0.000 0.988 820 V HN 0.693 nan 8.190 nan 0.000 0.440 821 T N 3.925 118.434 114.554 -0.074 0.000 2.840 821 T HA 0.705 5.055 4.350 0.000 0.000 0.287 821 T C -0.374 174.295 174.700 -0.051 0.000 0.991 821 T CA -0.354 61.708 62.100 -0.063 0.000 0.964 821 T CB 1.677 70.516 68.868 -0.047 0.000 0.954 821 T HN 0.378 nan 8.240 nan 0.000 0.438 822 V N 0.000 119.884 119.914 -0.049 0.000 2.409 822 V HA 0.000 4.120 4.120 0.000 0.000 0.244 822 V CA 0.000 62.281 62.300 -0.033 0.000 1.235 822 V CB 0.000 31.806 31.823 -0.028 0.000 1.184 822 V HN 0.000 nan 8.190 nan 0.000 0.556