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 2x2i_1_B DATA FIRST_RESID 14 DATA SEQUENCE TDNPDGIDYK TYDYVGVWGF SPLSNTNWFA AGSSTPGGIT DWTATMNVNF DATA SEQUENCE DRIDNPSITV QHPVQVQVTS YNNNSYRVRF NPDGPIRDVT RGPILKQQLD DATA SEQUENCE WIRTQELSEG CDPGMTFTSE GFLTFETKDL SVIIYGNFKT RVTRKSDGKV DATA SEQUENCE IMENDEVGTA SSGNKCRGLM FVDRLYGNAI ASVNKNFRND AVKQEGFYGA DATA SEQUENCE GEVNCKYQDT YILERTGIAM TNYNYDNLNY NQWDLRPPHH DGALNPDYYI DATA SEQUENCE PMYYAAPWLI VNGCAGTSEQ YSYGWFMDNV SQSYMNTGDT TWNSGQEDLA DATA SEQUENCE YMGAQYGPFD QHFVYGAGGG MEXVVTAFSL LQGKEFENQV LNKRSVMPPK DATA SEQUENCE YVFGFFQGVF GTSSLLRAHM PAGENNISVE EIVEGYQNNN FPFEGLAVDV DATA SEQUENCE DMQDNLRVFT TKGEFWTANR VGTGGDPNNR SVFEWAHDKG LVCQTNITCF DATA SEQUENCE LRNDNEGQDY EVNQTLRERQ LYTKNDSLTG TDFGMTDDGP SDAYIGHLDY DATA SEQUENCE GGGVECDALF PDWGRPDVAE WWGNNYKKLF SIGLDFVWQD MTVPAMMPHK DATA SEQUENCE IGDDINVKPD GNWPNADDPS NGQYNWKTYH PQVLVTDMRY ENHGREPMVT DATA SEQUENCE QRNIHAYTLC ESTRKEGIVE NADTLTKFRR SYIISRGGYI GNQHFGGMWV DATA SEQUENCE GDNSTTSNYI QMMIANNINM NMSCLPLVGS DIGGFTSYDN ENQRTPCTGD DATA SEQUENCE LMVRYVQAGC LLPWFRNHYD RWIESKDHGK DYQELYMYPN EMDTLRKFVE DATA SEQUENCE FRYRWQEVLY TAMYQNAAFG KPIIKAASMY NNDSNVRRAQ NDHFLLGGHD DATA SEQUENCE GYRILCAPVV WENSTERELY LPVLTQWYKF GPDFDTKPLE GAMNGGDRIY DATA SEQUENCE NYPVPQSESP IFVREGAILP TRYTLNGENK SLNTYTDEDP LVFEVFPLGN DATA SEQUENCE NRADGMCYLD DGGVTTNAED NGKFSVVKVA AEQDGGTETI TFTNDCYEYV DATA SEQUENCE FGGPFYVRVR GAQSPSNIHV SSGAGSQDMK VSSATSRAAL FNDGENGDFW DATA SEQUENCE VDQETDSLWL KLPNVVLPDA VITIT 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 14 T HA 0.000 nan 4.350 nan 0.000 0.228 14 T C 0.000 174.671 174.700 -0.048 0.000 1.109 14 T CA 0.000 62.078 62.100 -0.036 0.000 1.349 14 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 15 D N 0.612 120.993 120.400 -0.032 0.000 2.495 15 D HA -0.205 4.438 4.640 0.005 0.000 0.175 15 D C 0.396 176.679 176.300 -0.029 0.000 1.040 15 D CA 1.354 55.331 54.000 -0.039 0.000 1.049 15 D CB -1.890 38.865 40.800 -0.074 0.000 1.105 15 D HN 0.901 nan 8.370 nan 0.000 0.457 16 N N 1.264 119.957 118.700 -0.011 0.000 2.722 16 N HA -0.204 4.539 4.740 0.005 0.000 0.274 16 N C -1.450 174.058 175.510 -0.004 0.000 0.987 16 N CA 0.268 53.340 53.050 0.037 0.000 0.817 16 N CB 0.413 38.975 38.487 0.125 0.000 0.921 16 N HN 0.231 nan 8.380 nan 0.000 0.565 17 P HA -0.234 nan 4.420 nan 0.000 0.216 17 P C 0.697 177.973 177.300 -0.040 0.000 1.167 17 P CA 1.629 64.648 63.100 -0.136 0.000 0.933 17 P CB 0.019 31.482 31.700 -0.394 0.000 0.793 18 D N -1.343 119.060 120.400 0.004 0.000 2.144 18 D HA 0.023 4.666 4.640 0.005 0.000 0.199 18 D C 1.449 177.739 176.300 -0.017 0.000 0.984 18 D CA 1.930 55.933 54.000 0.004 0.000 0.834 18 D CB -0.710 40.099 40.800 0.015 0.000 0.955 18 D HN 0.416 nan 8.370 nan 0.000 0.465 19 G N -0.363 108.431 108.800 -0.009 0.000 2.237 19 G HA2 -0.167 3.795 3.960 0.005 0.000 0.153 19 G HA3 -0.167 3.795 3.960 0.005 0.000 0.153 19 G C -0.171 174.692 174.900 -0.063 0.000 1.039 19 G CA -0.528 44.561 45.100 -0.018 0.000 0.719 19 G HN 0.112 nan 8.290 nan 0.000 0.491 20 I N 1.145 121.644 120.570 -0.118 0.000 2.441 20 I HA 0.313 4.486 4.170 0.005 0.000 0.287 20 I C 0.151 176.002 176.117 -0.443 0.000 1.049 20 I CA -0.975 60.113 61.300 -0.353 0.000 1.381 20 I CB 1.283 38.890 38.000 -0.655 0.000 1.409 20 I HN 0.193 nan 8.210 nan 0.000 0.523 21 D N 6.619 126.824 120.400 -0.324 0.000 2.347 21 D HA 0.148 4.791 4.640 0.005 0.000 0.235 21 D C -0.981 175.174 176.300 -0.242 0.000 1.149 21 D CA -0.272 53.623 54.000 -0.176 0.000 0.850 21 D CB 0.208 40.981 40.800 -0.046 0.000 1.061 21 D HN 0.186 nan 8.370 nan 0.000 0.487 22 Y N 3.158 123.505 120.300 0.078 0.000 2.452 22 Y HA 0.243 4.796 4.550 0.005 0.000 0.348 22 Y C 1.283 177.155 175.900 -0.046 0.000 0.985 22 Y CA -0.252 57.863 58.100 0.025 0.000 1.214 22 Y CB 1.093 39.485 38.460 -0.113 0.000 1.136 22 Y HN 0.232 nan 8.280 nan 0.000 0.523 23 K N 1.511 121.954 120.400 0.072 0.000 2.478 23 K HA 0.260 4.582 4.320 0.005 0.000 0.205 23 K C -0.403 176.203 176.600 0.010 0.000 1.033 23 K CA 0.027 56.338 56.287 0.041 0.000 1.091 23 K CB 0.828 33.345 32.500 0.028 0.000 0.844 23 K HN 0.449 nan 8.250 nan 0.000 0.507 24 T N -0.171 114.367 114.554 -0.027 0.000 3.071 24 T HA 0.319 4.672 4.350 0.005 0.000 0.311 24 T C -0.915 173.773 174.700 -0.019 0.000 1.042 24 T CA -0.432 61.680 62.100 0.020 0.000 1.028 24 T CB 0.951 69.824 68.868 0.007 0.000 1.068 24 T HN 0.036 nan 8.240 nan 0.000 0.451 25 Y N 0.095 120.577 120.300 0.304 0.000 2.572 25 Y HA 0.290 4.843 4.550 0.005 0.000 0.274 25 Y C 1.009 177.120 175.900 0.352 0.000 1.135 25 Y CA -0.416 57.876 58.100 0.319 0.000 1.230 25 Y CB 0.584 39.229 38.460 0.308 0.000 1.293 25 Y HN 0.479 nan 8.280 nan 0.000 0.501 26 D N -0.097 120.591 120.400 0.480 0.000 2.329 26 D HA -0.010 4.633 4.640 0.005 0.000 0.246 26 D C -0.528 175.798 176.300 0.042 0.000 1.111 26 D CA -0.257 54.031 54.000 0.481 0.000 0.941 26 D CB 0.637 41.779 40.800 0.571 0.000 1.169 26 D HN -0.014 nan 8.370 nan 0.000 0.441 27 Y N 1.092 120.944 120.300 -0.747 0.000 2.810 27 Y HA 0.074 4.627 4.550 0.004 0.000 0.332 27 Y C -0.464 175.019 175.900 -0.695 0.000 1.243 27 Y CA 0.198 57.543 58.100 -1.258 0.000 1.537 27 Y CB 0.292 37.360 38.460 -2.320 0.000 1.265 27 Y HN -0.044 nan 8.280 nan 0.000 0.572 28 V N 8.124 127.443 119.914 -0.992 0.000 2.284 28 V HA 0.347 4.470 4.120 0.005 0.000 0.274 28 V C 0.752 176.121 176.094 -1.208 0.000 1.023 28 V CA -0.481 61.361 62.300 -0.763 0.000 0.808 28 V CB 0.571 32.204 31.823 -0.316 0.000 1.035 28 V HN 1.112 nan 8.190 nan 0.000 0.445 29 G N 2.693 110.519 108.800 -1.623 0.000 2.647 29 G HA2 0.205 4.168 3.960 0.005 0.000 0.234 29 G HA3 0.205 4.168 3.960 0.005 0.000 0.234 29 G C 1.387 175.102 174.900 -1.976 0.000 1.252 29 G CA 0.254 43.944 45.100 -2.350 0.000 0.846 29 G HN 1.026 nan 8.290 nan 0.000 0.589 30 V N -1.538 117.445 119.914 -1.551 0.000 2.660 30 V HA -0.207 3.916 4.120 0.005 0.000 0.257 30 V C 2.121 177.914 176.094 -0.501 0.000 1.088 30 V CA 2.185 64.095 62.300 -0.649 0.000 1.106 30 V CB -1.381 30.287 31.823 -0.257 0.000 0.686 30 V HN 0.923 nan 8.190 nan 0.000 0.481 31 W N 1.811 122.857 121.300 -0.423 0.000 2.467 31 W HA 0.406 5.069 4.660 0.005 0.000 0.275 31 W C 2.025 178.451 176.519 -0.156 0.000 1.239 31 W CA 0.530 57.668 57.345 -0.345 0.000 1.266 31 W CB -1.226 27.768 29.460 -0.777 0.000 1.112 31 W HN 0.223 nan 8.180 nan 0.000 0.576 32 G N -0.677 108.016 108.800 -0.179 0.000 3.502 32 G HA2 0.154 4.117 3.960 0.005 0.000 0.267 32 G HA3 0.154 4.117 3.960 0.005 0.000 0.267 32 G C -0.879 173.954 174.900 -0.111 0.000 1.090 32 G CA -0.462 44.604 45.100 -0.057 0.000 0.795 32 G HN 0.124 nan 8.290 nan 0.000 0.535 33 F N 3.401 123.116 119.950 -0.392 0.000 2.308 33 F HA 0.512 5.042 4.527 0.005 0.000 0.370 33 F C 0.242 175.874 175.800 -0.281 0.000 1.100 33 F CA -1.685 56.041 58.000 -0.457 0.000 1.108 33 F CB 1.450 39.810 39.000 -1.066 0.000 1.293 33 F HN -0.008 nan 8.300 nan 0.000 0.478 34 S N 6.752 122.110 115.700 -0.571 0.000 2.252 34 S HA 0.344 4.816 4.470 0.005 0.000 0.187 34 S C -2.305 171.806 174.600 -0.816 0.000 1.587 34 S CA -1.115 56.778 58.200 -0.513 0.000 1.215 34 S CB 0.936 64.013 63.200 -0.206 0.000 1.085 34 S HN 0.467 nan 8.310 nan 0.000 0.466 35 P HA 0.001 nan 4.420 nan 0.000 0.218 35 P C 1.468 177.977 177.300 -1.319 0.000 1.152 35 P CA 0.467 62.322 63.100 -2.076 0.000 0.826 35 P CB 0.004 30.550 31.700 -1.923 0.000 0.790 36 L N -0.376 120.351 121.223 -0.827 0.000 2.349 36 L HA -0.108 4.234 4.340 0.005 0.000 0.220 36 L C 2.412 179.075 176.870 -0.346 0.000 1.130 36 L CA 1.045 55.603 54.840 -0.469 0.000 0.791 36 L CB -1.161 40.739 42.059 -0.266 0.000 0.918 36 L HN 0.001 nan 8.230 nan 0.000 0.444 37 S N -0.174 115.312 115.700 -0.356 0.000 2.419 37 S HA -0.172 4.301 4.470 0.005 0.000 0.235 37 S C 1.203 175.717 174.600 -0.142 0.000 1.019 37 S CA 1.020 59.111 58.200 -0.182 0.000 0.982 37 S CB -0.107 63.034 63.200 -0.098 0.000 0.789 37 S HN 0.548 nan 8.310 nan 0.000 0.490 38 N N -0.809 117.738 118.700 -0.254 0.000 1.710 38 N HA -0.165 4.578 4.740 0.005 0.000 0.213 38 N C 0.490 176.058 175.510 0.096 0.000 1.023 38 N CA 2.099 55.072 53.050 -0.128 0.000 4.075 38 N CB -1.865 36.566 38.487 -0.092 0.000 0.686 38 N HN 0.641 nan 8.380 nan 0.000 0.276 39 T N 0.528 115.142 114.554 0.100 0.000 2.888 39 T HA 0.366 4.719 4.350 0.005 0.000 0.301 39 T C 0.886 175.670 174.700 0.139 0.000 1.001 39 T CA 1.010 63.163 62.100 0.087 0.000 1.147 39 T CB 1.187 70.081 68.868 0.044 0.000 0.931 39 T HN 0.416 nan 8.240 nan 0.000 0.541 40 N N 0.335 119.031 118.700 -0.007 0.000 2.962 40 N HA -0.134 4.609 4.740 0.005 0.000 0.206 40 N C -0.843 174.492 175.510 -0.290 0.000 0.907 40 N CA 1.356 54.325 53.050 -0.134 0.000 1.029 40 N CB -1.721 36.760 38.487 -0.010 0.000 1.009 40 N HN 0.817 nan 8.380 nan 0.000 0.587 41 W N 0.981 122.136 121.300 -0.242 0.000 2.313 41 W HA 0.589 5.252 4.660 0.004 0.000 0.328 41 W C 0.510 176.809 176.519 -0.367 0.000 1.197 41 W CA -0.212 56.993 57.345 -0.233 0.000 1.235 41 W CB 0.212 29.573 29.460 -0.164 0.000 1.158 41 W HN -0.125 nan 8.180 nan 0.000 0.578 42 F N 1.797 121.667 119.950 -0.134 0.000 2.422 42 F HA 0.677 5.207 4.527 0.005 0.000 0.333 42 F C 0.590 176.356 175.800 -0.057 0.000 1.095 42 F CA -0.692 57.150 58.000 -0.264 0.000 1.038 42 F CB 1.134 39.615 39.000 -0.864 0.000 1.156 42 F HN 0.360 nan 8.300 nan 0.000 0.483 43 A N 1.622 124.607 122.820 0.274 0.000 2.527 43 A HA 0.872 5.195 4.320 0.005 0.000 0.293 43 A C -1.114 176.633 177.584 0.272 0.000 1.117 43 A CA -0.711 51.492 52.037 0.278 0.000 0.723 43 A CB 0.861 19.947 19.000 0.143 0.000 1.313 43 A HN 0.931 nan 8.150 nan 0.000 0.411 44 A N -0.727 122.147 122.820 0.090 0.000 2.407 44 A HA 0.544 4.867 4.320 0.005 0.000 0.248 44 A C 0.970 178.511 177.584 -0.073 0.000 1.082 44 A CA 0.411 52.308 52.037 -0.233 0.000 0.785 44 A CB 0.027 18.816 19.000 -0.351 0.000 1.020 44 A HN 2.079 nan 8.150 nan 0.000 0.489 45 G N -0.510 108.229 108.800 -0.102 0.000 3.738 45 G HA2 0.463 4.426 3.960 0.005 0.000 0.241 45 G HA3 0.463 4.426 3.960 0.005 0.000 0.241 45 G C -0.028 174.856 174.900 -0.028 0.000 1.068 45 G CA 0.908 45.989 45.100 -0.031 0.000 0.899 45 G HN 1.914 nan 8.290 nan 0.000 0.519 46 S N -0.696 114.966 115.700 -0.064 0.000 2.683 46 S HA 0.695 5.168 4.470 0.005 0.000 0.278 46 S C -0.890 173.664 174.600 -0.077 0.000 1.059 46 S CA 0.336 58.511 58.200 -0.041 0.000 0.847 46 S CB 1.381 64.560 63.200 -0.036 0.000 1.078 46 S HN 1.544 nan 8.310 nan 0.000 0.456 47 S N -0.143 115.528 115.700 -0.049 0.000 2.636 47 S HA 0.904 5.377 4.470 0.005 0.000 0.268 47 S C -1.108 173.443 174.600 -0.081 0.000 1.159 47 S CA -0.166 57.994 58.200 -0.066 0.000 0.815 47 S CB 1.229 64.411 63.200 -0.030 0.000 1.130 47 S HN 2.326 nan 8.310 nan 0.000 0.471 48 T N -0.935 113.554 114.554 -0.108 0.000 3.071 48 T HA 0.680 5.033 4.350 0.005 0.000 0.311 48 T C -3.374 171.184 174.700 -0.237 0.000 1.042 48 T CA -1.375 60.628 62.100 -0.161 0.000 1.028 48 T CB 1.072 69.865 68.868 -0.124 0.000 1.068 48 T HN 0.462 nan 8.240 nan 0.000 0.451 49 P HA 0.307 nan 4.420 nan 0.000 0.266 49 P C 0.795 177.868 177.300 -0.378 0.000 1.186 49 P CA 0.313 62.935 63.100 -0.797 0.000 0.767 49 P CB 0.258 31.188 31.700 -1.284 0.000 0.820 50 G N 0.838 109.511 108.800 -0.211 0.000 4.773 50 G HA2 0.504 4.467 3.960 0.005 0.000 0.269 50 G HA3 0.504 4.467 3.960 0.005 0.000 0.269 50 G C 0.147 175.136 174.900 0.149 0.000 0.992 50 G CA 0.245 45.349 45.100 0.005 0.000 0.775 50 G HN 0.893 nan 8.290 nan 0.000 0.471 51 G N 0.158 109.131 108.800 0.289 0.000 2.716 51 G HA2 -0.077 3.886 3.960 0.005 0.000 0.686 51 G HA3 -0.077 3.886 3.960 0.005 0.000 0.686 51 G C -0.536 174.546 174.900 0.302 0.000 1.337 51 G CA -0.511 44.779 45.100 0.317 0.000 0.829 51 G HN 0.776 nan 8.290 nan 0.000 0.599 52 I N 1.997 122.678 120.570 0.186 0.000 2.537 52 I HA 0.415 4.588 4.170 0.005 0.000 0.276 52 I C 0.626 176.796 176.117 0.088 0.000 1.063 52 I CA -0.249 61.102 61.300 0.085 0.000 1.144 52 I CB 1.668 39.647 38.000 -0.035 0.000 1.252 52 I HN 0.821 nan 8.210 nan 0.000 0.480 53 T N 0.532 115.145 114.554 0.099 0.000 2.859 53 T HA 0.488 4.840 4.350 0.005 0.000 0.281 53 T C 0.227 174.985 174.700 0.097 0.000 1.005 53 T CA -0.111 62.041 62.100 0.086 0.000 1.025 53 T CB 2.152 71.064 68.868 0.073 0.000 0.977 53 T HN 0.590 nan 8.240 nan 0.000 0.458 54 D N 1.457 121.904 120.400 0.079 0.000 4.230 54 D HA -0.184 4.459 4.640 0.005 0.000 0.138 54 D C -0.301 176.134 176.300 0.225 0.000 0.772 54 D CA 1.989 56.027 54.000 0.062 0.000 1.136 54 D CB -1.039 39.782 40.800 0.035 0.000 0.547 54 D HN 0.752 nan 8.370 nan 0.000 0.537 55 W N 0.854 122.151 121.300 -0.006 0.000 2.190 55 W HA 0.425 5.088 4.660 0.005 0.000 0.337 55 W C -0.367 176.128 176.519 -0.040 0.000 0.911 55 W CA 0.055 57.381 57.345 -0.031 0.000 1.925 55 W CB 0.143 29.591 29.460 -0.019 0.000 1.134 55 W HN -0.048 nan 8.180 nan 0.000 0.536 56 T N 1.064 115.729 114.554 0.186 0.000 2.977 56 T HA 0.639 4.992 4.350 0.005 0.000 0.346 56 T C 0.341 175.106 174.700 0.110 0.000 1.140 56 T CA -0.254 61.926 62.100 0.133 0.000 1.040 56 T CB 1.042 70.000 68.868 0.149 0.000 1.046 56 T HN -0.021 nan 8.240 nan 0.000 0.494 57 A N 2.786 125.646 122.820 0.067 0.000 2.346 57 A HA 0.700 5.023 4.320 0.005 0.000 0.252 57 A C 0.426 178.135 177.584 0.209 0.000 1.089 57 A CA -0.301 51.795 52.037 0.100 0.000 0.797 57 A CB 0.343 19.324 19.000 -0.030 0.000 1.047 57 A HN 0.607 nan 8.150 nan 0.000 0.494 58 T N 2.061 116.797 114.554 0.302 0.000 3.011 58 T HA 0.507 4.860 4.350 0.005 0.000 0.303 58 T C -0.636 174.234 174.700 0.283 0.000 0.997 58 T CA -0.166 62.094 62.100 0.267 0.000 1.007 58 T CB 0.700 69.689 68.868 0.201 0.000 1.017 58 T HN 0.574 nan 8.240 nan 0.000 0.443 59 M N 3.299 123.046 119.600 0.246 0.000 2.149 59 M HA 0.443 4.926 4.480 0.005 0.000 0.342 59 M C -0.194 176.158 176.300 0.086 0.000 1.068 59 M CA -0.941 54.449 55.300 0.151 0.000 0.991 59 M CB 0.976 33.698 32.600 0.204 0.000 1.596 59 M HN 0.275 nan 8.290 nan 0.000 0.439 60 N N 2.939 121.649 118.700 0.016 0.000 2.399 60 N HA 0.210 4.953 4.740 0.005 0.000 0.259 60 N C -1.091 174.388 175.510 -0.051 0.000 1.160 60 N CA 0.047 53.098 53.050 0.002 0.000 0.946 60 N CB 0.997 39.475 38.487 -0.015 0.000 1.156 60 N HN 0.400 nan 8.380 nan 0.000 0.489 61 V N 3.784 123.644 119.914 -0.090 0.000 2.328 61 V HA 0.166 4.289 4.120 0.005 0.000 0.278 61 V C 0.205 176.073 176.094 -0.376 0.000 1.021 61 V CA -1.041 61.086 62.300 -0.289 0.000 0.838 61 V CB 0.727 32.234 31.823 -0.526 0.000 0.999 61 V HN 0.508 nan 8.190 nan 0.000 0.447 62 N N 5.379 123.915 118.700 -0.273 0.000 2.427 62 N HA 0.171 4.914 4.740 0.005 0.000 0.269 62 N C -0.801 174.539 175.510 -0.283 0.000 1.235 62 N CA 0.315 53.251 53.050 -0.190 0.000 0.934 62 N CB 0.517 38.943 38.487 -0.101 0.000 1.121 62 N HN 0.407 nan 8.380 nan 0.000 0.480 63 F N 1.287 121.192 119.950 -0.076 0.000 2.408 63 F HA 0.252 4.782 4.527 0.005 0.000 0.344 63 F C 0.806 176.719 175.800 0.188 0.000 1.112 63 F CA -0.529 57.460 58.000 -0.018 0.000 1.096 63 F CB 1.161 40.054 39.000 -0.180 0.000 1.129 63 F HN 0.212 nan 8.300 nan 0.000 0.486 64 D N 2.754 123.407 120.400 0.423 0.000 2.362 64 D HA 0.228 4.871 4.640 0.005 0.000 0.247 64 D C -0.123 176.218 176.300 0.068 0.000 1.050 64 D CA -0.697 53.482 54.000 0.297 0.000 0.839 64 D CB 1.677 42.540 40.800 0.106 0.000 1.283 64 D HN 0.232 nan 8.370 nan 0.000 0.477 65 R N 2.161 122.471 120.500 -0.317 0.000 2.446 65 R HA 0.085 4.428 4.340 0.005 0.000 0.325 65 R C 1.395 177.539 176.300 -0.260 0.000 0.997 65 R CA 0.020 55.731 56.100 -0.649 0.000 1.010 65 R CB 0.145 30.067 30.300 -0.632 0.000 0.946 65 R HN 0.555 nan 8.270 nan 0.000 0.422 66 I N 1.991 122.449 120.570 -0.187 0.000 2.143 66 I HA -0.411 3.762 4.170 0.005 0.000 0.245 66 I C 2.008 178.077 176.117 -0.080 0.000 1.068 66 I CA 1.988 63.238 61.300 -0.084 0.000 1.326 66 I CB -0.261 37.709 38.000 -0.049 0.000 1.028 66 I HN 0.595 nan 8.210 nan 0.000 0.412 67 D N -0.516 119.826 120.400 -0.096 0.000 2.323 67 D HA -0.132 4.510 4.640 0.005 0.000 0.209 67 D C 0.643 176.902 176.300 -0.069 0.000 0.973 67 D CA 0.668 54.628 54.000 -0.067 0.000 0.874 67 D CB -0.229 40.540 40.800 -0.052 0.000 0.930 67 D HN 0.289 nan 8.370 nan 0.000 0.521 68 N N -0.138 118.503 118.700 -0.099 0.000 2.824 68 N HA 0.170 4.913 4.740 0.005 0.000 0.224 68 N C -2.521 172.940 175.510 -0.080 0.000 1.418 68 N CA -1.132 51.870 53.050 -0.079 0.000 0.743 68 N CB 1.530 39.972 38.487 -0.075 0.000 1.395 68 N HN -0.243 nan 8.380 nan 0.000 0.548 69 P HA -0.062 nan 4.420 nan 0.000 0.226 69 P C 1.324 178.623 177.300 -0.001 0.000 1.153 69 P CA 0.871 63.956 63.100 -0.026 0.000 0.777 69 P CB 0.242 31.933 31.700 -0.016 0.000 0.794 70 S N -0.795 114.902 115.700 -0.006 0.000 2.469 70 S HA -0.095 4.378 4.470 0.005 0.000 0.238 70 S C 0.887 175.501 174.600 0.022 0.000 0.998 70 S CA 0.543 58.746 58.200 0.006 0.000 0.957 70 S CB -1.254 61.946 63.200 0.000 0.000 0.764 70 S HN 0.093 nan 8.310 nan 0.000 0.514 71 I N 2.050 122.633 120.570 0.023 0.000 2.308 71 I HA 0.289 4.462 4.170 0.005 0.000 0.293 71 I C 0.144 176.371 176.117 0.184 0.000 1.078 71 I CA -0.066 61.277 61.300 0.071 0.000 1.292 71 I CB 1.040 39.048 38.000 0.013 0.000 1.423 71 I HN 0.082 nan 8.210 nan 0.000 0.493 72 T N 6.447 121.105 114.554 0.174 0.000 2.886 72 T HA 0.662 5.015 4.350 0.005 0.000 0.292 72 T C -0.393 174.355 174.700 0.080 0.000 1.012 72 T CA -0.499 61.711 62.100 0.183 0.000 0.982 72 T CB 1.213 70.132 68.868 0.085 0.000 1.018 72 T HN 0.375 nan 8.240 nan 0.000 0.451 73 V N 2.243 122.141 119.914 -0.025 0.000 3.182 73 V HA 0.842 4.965 4.120 0.005 0.000 0.311 73 V C -1.131 174.870 176.094 -0.154 0.000 1.221 73 V CA -0.832 61.361 62.300 -0.177 0.000 1.060 73 V CB 1.934 33.548 31.823 -0.349 0.000 1.164 73 V HN 0.915 nan 8.190 nan 0.000 0.466 74 Q N 0.185 119.796 119.800 -0.314 0.000 2.327 74 Q HA 0.422 4.765 4.340 0.005 0.000 0.265 74 Q C -2.276 173.523 176.000 -0.336 0.000 0.993 74 Q CA -0.569 55.136 55.803 -0.163 0.000 0.885 74 Q CB 2.086 30.764 28.738 -0.099 0.000 1.379 74 Q HN 1.072 nan 8.270 nan 0.000 0.408 75 H N 2.802 122.042 119.070 0.284 0.000 2.717 75 H HA 0.438 4.997 4.556 0.005 0.000 0.366 75 H C -2.469 172.969 175.328 0.184 0.000 1.132 75 H CA -1.656 54.515 56.048 0.205 0.000 1.180 75 H CB 2.075 31.947 29.762 0.183 0.000 1.678 75 H HN 0.456 nan 8.280 nan 0.000 0.537 76 P HA -0.013 nan 4.420 nan 0.000 0.265 76 P C -0.226 177.225 177.300 0.252 0.000 1.193 76 P CA 0.058 63.281 63.100 0.205 0.000 0.765 76 P CB 0.930 32.736 31.700 0.176 0.000 0.823 77 V N 4.902 124.948 119.914 0.220 0.000 2.540 77 V HA 0.218 4.341 4.120 0.005 0.000 0.302 77 V C 0.295 176.579 176.094 0.317 0.000 1.035 77 V CA -0.495 61.968 62.300 0.271 0.000 0.873 77 V CB 1.712 33.627 31.823 0.154 0.000 0.992 77 V HN 0.471 nan 8.190 nan 0.000 0.428 78 Q N 3.295 123.301 119.800 0.344 0.000 2.290 78 Q HA 0.588 4.931 4.340 0.005 0.000 0.259 78 Q C -1.160 175.054 176.000 0.356 0.000 0.941 78 Q CA -0.543 55.443 55.803 0.305 0.000 0.912 78 Q CB 2.542 31.429 28.738 0.249 0.000 1.244 78 Q HN 0.521 nan 8.270 nan 0.000 0.441 79 V N 3.521 123.617 119.914 0.304 0.000 2.326 79 V HA 0.222 4.345 4.120 0.005 0.000 0.281 79 V C -0.447 175.723 176.094 0.127 0.000 1.015 79 V CA -0.484 61.985 62.300 0.281 0.000 0.823 79 V CB 1.425 33.392 31.823 0.240 0.000 1.009 79 V HN 0.698 nan 8.190 nan 0.000 0.436 80 Q N 4.497 124.389 119.800 0.154 0.000 2.333 80 Q HA 0.550 4.893 4.340 0.005 0.000 0.268 80 Q C -1.204 174.844 176.000 0.079 0.000 1.007 80 Q CA -0.580 55.286 55.803 0.104 0.000 0.810 80 Q CB 2.167 31.011 28.738 0.178 0.000 1.264 80 Q HN 0.519 nan 8.270 nan 0.000 0.452 81 V N 4.152 124.010 119.914 -0.093 0.000 2.529 81 V HA -0.009 4.114 4.120 0.005 0.000 0.292 81 V C 1.392 177.644 176.094 0.264 0.000 1.028 81 V CA 1.163 63.435 62.300 -0.045 0.000 1.074 81 V CB 0.881 32.469 31.823 -0.391 0.000 0.958 81 V HN 1.065 nan 8.190 nan 0.000 0.481 82 T N 0.293 115.042 114.554 0.325 0.000 3.040 82 T HA 0.148 4.501 4.350 0.005 0.000 0.252 82 T C 0.701 175.653 174.700 0.420 0.000 1.064 82 T CA 0.499 62.830 62.100 0.383 0.000 1.110 82 T CB 0.398 69.499 68.868 0.388 0.000 0.921 82 T HN 0.586 nan 8.240 nan 0.000 0.480 83 S N -0.598 115.339 115.700 0.395 0.000 2.592 83 S HA 0.407 4.880 4.470 0.005 0.000 0.275 83 S C -0.529 174.278 174.600 0.345 0.000 1.169 83 S CA -0.862 57.584 58.200 0.409 0.000 0.958 83 S CB 1.166 64.573 63.200 0.346 0.000 1.095 83 S HN 0.312 nan 8.310 nan 0.000 0.471 84 Y N 5.267 125.699 120.300 0.220 0.000 2.206 84 Y HA 0.080 4.633 4.550 0.005 0.000 0.292 84 Y C 1.785 177.763 175.900 0.130 0.000 1.123 84 Y CA 1.811 59.969 58.100 0.095 0.000 1.142 84 Y CB -0.025 38.461 38.460 0.044 0.000 1.006 84 Y HN 0.689 nan 8.280 nan 0.000 0.518 85 N N 0.381 119.282 118.700 0.335 0.000 2.331 85 N HA -0.144 4.598 4.740 0.005 0.000 0.180 85 N C 0.904 176.501 175.510 0.146 0.000 1.019 85 N CA 1.151 54.329 53.050 0.213 0.000 0.881 85 N CB -0.328 38.304 38.487 0.242 0.000 0.972 85 N HN 0.490 nan 8.380 nan 0.000 0.435 86 N N 0.990 119.806 118.700 0.193 0.000 2.373 86 N HA 0.013 4.756 4.740 0.005 0.000 0.181 86 N C -0.530 175.111 175.510 0.218 0.000 1.082 86 N CA 0.139 53.308 53.050 0.198 0.000 0.885 86 N CB 0.157 38.782 38.487 0.229 0.000 0.977 86 N HN 0.068 nan 8.380 nan 0.000 0.462 87 N N 0.714 119.535 118.700 0.201 0.000 2.791 87 N HA -0.122 4.621 4.740 0.005 0.000 0.250 87 N C -1.240 174.544 175.510 0.457 0.000 1.082 87 N CA 0.655 53.855 53.050 0.250 0.000 0.680 87 N CB -1.440 37.185 38.487 0.230 0.000 0.918 87 N HN 0.356 nan 8.380 nan 0.000 0.555 88 S N -0.756 115.200 115.700 0.427 0.000 2.536 88 S HA 0.821 5.294 4.470 0.005 0.000 0.271 88 S C -0.615 174.276 174.600 0.485 0.000 1.134 88 S CA -0.854 57.616 58.200 0.450 0.000 0.897 88 S CB 2.588 65.989 63.200 0.335 0.000 1.094 88 S HN 0.396 nan 8.310 nan 0.000 0.473 89 Y N 0.158 120.678 120.300 0.367 0.000 2.965 89 Y HA 0.852 5.405 4.550 0.005 0.000 0.310 89 Y C -0.535 175.541 175.900 0.293 0.000 1.480 89 Y CA -1.407 56.854 58.100 0.268 0.000 1.094 89 Y CB 0.915 39.483 38.460 0.181 0.000 1.377 89 Y HN 0.988 nan 8.280 nan 0.000 0.514 90 R N 0.694 121.397 120.500 0.339 0.000 2.604 90 R HA 0.704 5.047 4.340 0.005 0.000 0.270 90 R C -2.668 173.852 176.300 0.365 0.000 1.052 90 R CA -0.739 55.396 56.100 0.057 0.000 0.902 90 R CB 2.467 32.654 30.300 -0.188 0.000 1.233 90 R HN 0.716 nan 8.270 nan 0.000 0.455 91 V N 5.190 125.357 119.914 0.421 0.000 2.482 91 V HA 0.561 4.684 4.120 0.005 0.000 0.295 91 V C -0.758 175.693 176.094 0.594 0.000 1.026 91 V CA -0.716 61.954 62.300 0.616 0.000 0.856 91 V CB 1.544 33.905 31.823 0.895 0.000 1.001 91 V HN 0.833 nan 8.190 nan 0.000 0.424 92 R N 4.416 125.222 120.500 0.509 0.000 2.651 92 R HA 0.856 5.199 4.340 0.005 0.000 0.278 92 R C -1.509 175.087 176.300 0.492 0.000 1.010 92 R CA -0.603 55.789 56.100 0.487 0.000 0.896 92 R CB 2.372 32.846 30.300 0.290 0.000 1.211 92 R HN 0.521 nan 8.270 nan 0.000 0.456 93 F N -0.381 119.696 119.950 0.212 0.000 2.894 93 F HA 0.674 5.204 4.527 0.005 0.000 0.332 93 F C -1.345 174.479 175.800 0.040 0.000 1.192 93 F CA -1.486 56.575 58.000 0.102 0.000 0.980 93 F CB 1.418 40.462 39.000 0.074 0.000 1.448 93 F HN 0.546 nan 8.300 nan 0.000 0.514 94 N N 0.617 119.324 118.700 0.012 0.000 2.793 94 N HA 0.366 5.109 4.740 0.005 0.000 0.251 94 N C -2.726 172.558 175.510 -0.376 0.000 1.308 94 N CA -1.750 51.171 53.050 -0.215 0.000 0.781 94 N CB 1.457 39.864 38.487 -0.133 0.000 1.439 94 N HN 0.351 nan 8.380 nan 0.000 0.562 95 P HA 0.186 nan 4.420 nan 0.000 0.263 95 P C -0.596 176.231 177.300 -0.789 0.000 1.386 95 P CA 0.570 62.983 63.100 -1.145 0.000 0.797 95 P CB 0.424 31.120 31.700 -1.674 0.000 1.381 96 D N -1.578 118.534 120.400 -0.481 0.000 2.480 96 D HA 0.232 4.875 4.640 0.005 0.000 0.243 96 D C 1.210 177.396 176.300 -0.190 0.000 1.120 96 D CA 0.457 54.285 54.000 -0.288 0.000 0.835 96 D CB 1.454 42.128 40.800 -0.210 0.000 1.204 96 D HN 0.213 nan 8.370 nan 0.000 0.513 97 G N 0.949 109.634 108.800 -0.191 0.000 2.427 97 G HA2 0.367 4.330 3.960 0.005 0.000 0.306 97 G HA3 0.367 4.330 3.960 0.005 0.000 0.306 97 G C -2.975 171.868 174.900 -0.095 0.000 1.280 97 G CA -0.799 44.235 45.100 -0.110 0.000 0.837 97 G HN -0.266 nan 8.290 nan 0.000 0.482 98 P HA 0.305 nan 4.420 nan 0.000 0.269 98 P C 0.008 177.271 177.300 -0.061 0.000 1.209 98 P CA -0.014 63.063 63.100 -0.039 0.000 0.776 98 P CB 0.849 32.530 31.700 -0.033 0.000 0.876 99 I N 2.773 123.334 120.570 -0.016 0.000 2.598 99 I HA 0.125 4.298 4.170 0.005 0.000 0.284 99 I C 1.317 177.410 176.117 -0.040 0.000 1.140 99 I CA 0.462 61.758 61.300 -0.006 0.000 1.420 99 I CB -0.093 37.950 38.000 0.070 0.000 1.387 99 I HN 0.252 nan 8.210 nan 0.000 0.553 100 R N 4.988 125.434 120.500 -0.090 0.000 2.575 100 R HA 0.278 4.621 4.340 0.005 0.000 0.293 100 R C -1.066 175.228 176.300 -0.009 0.000 0.983 100 R CA -0.765 55.239 56.100 -0.160 0.000 0.887 100 R CB 1.499 31.508 30.300 -0.485 0.000 1.184 100 R HN 0.555 nan 8.270 nan 0.000 0.445 101 D N 2.698 123.128 120.400 0.049 0.000 2.399 101 D HA 0.056 4.699 4.640 0.005 0.000 0.241 101 D C 0.322 176.782 176.300 0.266 0.000 1.133 101 D CA 0.127 54.208 54.000 0.135 0.000 0.890 101 D CB 1.184 42.034 40.800 0.083 0.000 1.201 101 D HN 0.228 nan 8.370 nan 0.000 0.432 102 V N -0.101 119.936 119.914 0.205 0.000 2.881 102 V HA 0.207 4.330 4.120 0.005 0.000 0.303 102 V C 1.557 177.680 176.094 0.048 0.000 1.070 102 V CA -0.324 62.021 62.300 0.076 0.000 1.074 102 V CB 0.929 32.687 31.823 -0.109 0.000 1.012 102 V HN 0.741 nan 8.190 nan 0.000 0.482 103 T N -0.091 114.465 114.554 0.005 0.000 3.031 103 T HA 0.177 4.529 4.350 0.005 0.000 0.254 103 T C 0.810 175.509 174.700 -0.001 0.000 1.060 103 T CA 0.322 62.432 62.100 0.018 0.000 1.135 103 T CB 0.111 69.003 68.868 0.039 0.000 0.896 103 T HN 0.689 nan 8.240 nan 0.000 0.472 104 R N 0.217 120.677 120.500 -0.067 0.000 2.803 104 R HA 0.609 4.952 4.340 0.005 0.000 0.276 104 R C -0.708 175.504 176.300 -0.146 0.000 0.978 104 R CA 0.084 56.159 56.100 -0.041 0.000 0.939 104 R CB 1.658 31.930 30.300 -0.047 0.000 1.179 104 R HN 0.534 nan 8.270 nan 0.000 0.472 105 G N 2.798 111.518 108.800 -0.132 0.000 2.326 105 G HA2 -0.053 3.910 3.960 0.005 0.000 0.413 105 G HA3 -0.053 3.910 3.960 0.005 0.000 0.413 105 G C -2.541 172.351 174.900 -0.014 0.000 1.444 105 G CA -0.857 44.091 45.100 -0.253 0.000 1.002 105 G HN 0.411 nan 8.290 nan 0.000 0.649 106 P HA 0.027 nan 4.420 nan 0.000 0.215 106 P C 0.878 178.140 177.300 -0.062 0.000 1.153 106 P CA 1.075 64.165 63.100 -0.017 0.000 0.853 106 P CB 0.140 31.726 31.700 -0.189 0.000 0.788 107 I N 0.834 121.402 120.570 -0.004 0.000 2.312 107 I HA 0.257 4.429 4.170 0.005 0.000 0.290 107 I C 0.438 176.572 176.117 0.029 0.000 1.008 107 I CA -0.821 60.478 61.300 -0.000 0.000 1.226 107 I CB 0.723 38.737 38.000 0.023 0.000 1.371 107 I HN -0.121 nan 8.210 nan 0.000 0.468 108 L N 5.902 127.120 121.223 -0.008 0.000 2.334 108 L HA 0.406 4.748 4.340 0.005 0.000 0.276 108 L C 1.550 178.373 176.870 -0.078 0.000 1.014 108 L CA -0.681 54.130 54.840 -0.049 0.000 0.815 108 L CB 2.415 44.409 42.059 -0.109 0.000 1.268 108 L HN 0.589 nan 8.230 nan 0.000 0.428 109 K N 1.756 122.124 120.400 -0.054 0.000 2.044 109 K HA -0.254 4.069 4.320 0.005 0.000 0.210 109 K C 1.494 178.012 176.600 -0.138 0.000 1.049 109 K CA 2.086 58.347 56.287 -0.042 0.000 0.927 109 K CB 0.180 32.672 32.500 -0.012 0.000 0.713 109 K HN 0.632 nan 8.250 nan 0.000 0.443 110 Q N 0.433 120.043 119.800 -0.316 0.000 2.112 110 Q HA -0.239 4.103 4.340 0.005 0.000 0.206 110 Q C 2.125 177.816 176.000 -0.515 0.000 0.987 110 Q CA 2.139 57.630 55.803 -0.520 0.000 0.858 110 Q CB -0.245 27.859 28.738 -1.056 0.000 0.905 110 Q HN 0.339 nan 8.270 nan 0.000 0.420 111 Q N 0.283 119.746 119.800 -0.562 0.000 2.119 111 Q HA -0.057 4.285 4.340 0.005 0.000 0.201 111 Q C 1.700 177.753 176.000 0.088 0.000 0.972 111 Q CA 1.377 57.079 55.803 -0.168 0.000 0.847 111 Q CB -0.080 28.615 28.738 -0.073 0.000 0.903 111 Q HN 0.477 nan 8.270 nan 0.000 0.433 112 L N 0.018 121.281 121.223 0.067 0.000 2.109 112 L HA -0.100 4.243 4.340 0.005 0.000 0.207 112 L C 1.883 178.831 176.870 0.131 0.000 1.086 112 L CA 0.988 55.919 54.840 0.152 0.000 0.760 112 L CB -0.488 41.671 42.059 0.166 0.000 0.910 112 L HN 0.110 nan 8.230 nan 0.000 0.437 113 D N -0.367 120.075 120.400 0.070 0.000 2.104 113 D HA -0.247 4.396 4.640 0.005 0.000 0.194 113 D C 1.748 178.090 176.300 0.070 0.000 0.994 113 D CA 1.284 55.303 54.000 0.032 0.000 0.830 113 D CB -0.223 40.583 40.800 0.010 0.000 0.959 113 D HN 0.421 nan 8.370 nan 0.000 0.452 114 W N 1.218 122.500 121.300 -0.030 0.000 2.354 114 W HA -0.110 4.553 4.660 0.005 0.000 0.315 114 W C 2.170 178.702 176.519 0.021 0.000 1.206 114 W CA 1.121 58.477 57.345 0.018 0.000 1.290 114 W CB -0.396 29.118 29.460 0.090 0.000 1.152 114 W HN -0.124 nan 8.180 nan 0.000 0.489 115 I N 0.566 121.407 120.570 0.451 0.000 2.208 115 I HA -0.344 3.829 4.170 0.005 0.000 0.245 115 I C 2.739 178.838 176.117 -0.030 0.000 1.097 115 I CA 1.764 63.228 61.300 0.272 0.000 1.363 115 I CB -0.677 37.555 38.000 0.385 0.000 1.051 115 I HN 0.017 nan 8.210 nan 0.000 0.413 116 R N 0.129 120.593 120.500 -0.060 0.000 2.115 116 R HA -0.123 4.220 4.340 0.005 0.000 0.230 116 R C 2.212 178.251 176.300 -0.436 0.000 1.111 116 R CA 1.669 57.578 56.100 -0.319 0.000 0.976 116 R CB -0.106 29.959 30.300 -0.392 0.000 0.870 116 R HN 0.307 nan 8.270 nan 0.000 0.445 117 T N 0.637 114.980 114.554 -0.352 0.000 2.770 117 T HA -0.104 4.249 4.350 0.005 0.000 0.263 117 T C 1.702 176.169 174.700 -0.388 0.000 1.039 117 T CA 0.725 62.611 62.100 -0.357 0.000 1.142 117 T CB -0.087 68.603 68.868 -0.297 0.000 0.868 117 T HN 0.218 nan 8.240 nan 0.000 0.435 118 Q N 1.039 120.509 119.800 -0.551 0.000 2.045 118 Q HA -0.158 4.185 4.340 0.005 0.000 0.206 118 Q C 2.356 178.204 176.000 -0.252 0.000 0.991 118 Q CA 1.617 57.124 55.803 -0.493 0.000 0.851 118 Q CB -0.295 27.980 28.738 -0.772 0.000 0.911 118 Q HN 0.646 nan 8.270 nan 0.000 0.418 119 E N 0.296 120.389 120.200 -0.178 0.000 2.110 119 E HA -0.145 4.208 4.350 0.005 0.000 0.193 119 E C 2.219 178.794 176.600 -0.043 0.000 0.988 119 E CA 0.490 56.881 56.400 -0.015 0.000 0.804 119 E CB -0.117 29.687 29.700 0.173 0.000 0.745 119 E HN 0.290 nan 8.360 nan 0.000 0.458 120 L N 1.035 122.149 121.223 -0.182 0.000 2.131 120 L HA -0.135 4.208 4.340 0.005 0.000 0.210 120 L C 2.170 178.970 176.870 -0.116 0.000 1.092 120 L CA 1.237 55.971 54.840 -0.177 0.000 0.759 120 L CB -0.170 41.703 42.059 -0.310 0.000 0.903 120 L HN 0.132 nan 8.230 nan 0.000 0.435 121 S N -1.959 113.662 115.700 -0.130 0.000 2.685 121 S HA 0.102 4.575 4.470 0.005 0.000 0.240 121 S C 0.700 175.259 174.600 -0.067 0.000 0.967 121 S CA -0.337 57.803 58.200 -0.099 0.000 1.009 121 S CB -0.054 63.075 63.200 -0.118 0.000 0.776 121 S HN 0.472 nan 8.310 nan 0.000 0.467 122 E N 0.083 120.253 120.200 -0.050 0.000 2.676 122 E HA 0.316 4.669 4.350 0.005 0.000 0.225 122 E C 0.863 177.450 176.600 -0.022 0.000 0.944 122 E CA 0.003 56.389 56.400 -0.024 0.000 1.156 122 E CB 0.765 30.463 29.700 -0.003 0.000 1.117 122 E HN 0.557 nan 8.360 nan 0.000 0.523 123 G N 1.487 110.266 108.800 -0.035 0.000 2.136 123 G HA2 -0.297 3.666 3.960 0.005 0.000 0.242 123 G HA3 -0.297 3.666 3.960 0.005 0.000 0.242 123 G C 0.311 175.158 174.900 -0.087 0.000 0.989 123 G CA -0.094 44.980 45.100 -0.043 0.000 0.682 123 G HN 0.337 nan 8.290 nan 0.000 0.522 124 C N 1.096 120.336 119.300 -0.100 0.000 2.651 124 C HA 0.524 4.987 4.460 0.005 0.000 0.410 124 C C 0.433 175.235 174.990 -0.314 0.000 1.372 124 C CA 0.398 59.220 59.018 -0.326 0.000 1.707 124 C CB 0.299 27.970 27.740 -0.117 0.000 2.501 124 C HN 0.544 nan 8.230 nan 0.000 0.598 125 D N 4.401 124.398 120.400 -0.671 0.000 2.602 125 D HA 0.335 4.978 4.640 0.005 0.000 0.245 125 D C -2.072 174.037 176.300 -0.320 0.000 1.325 125 D CA -1.314 52.500 54.000 -0.311 0.000 0.952 125 D CB 1.561 42.292 40.800 -0.115 0.000 1.317 125 D HN 0.244 nan 8.370 nan 0.000 0.577 126 P HA 0.250 nan 4.420 nan 0.000 0.254 126 P C 0.681 177.937 177.300 -0.073 0.000 1.494 126 P CA -0.245 62.819 63.100 -0.059 0.000 0.961 126 P CB 0.070 31.549 31.700 -0.368 0.000 1.493 127 G N 1.624 110.385 108.800 -0.066 0.000 2.158 127 G HA2 -0.288 3.674 3.960 0.005 0.000 0.257 127 G HA3 -0.288 3.674 3.960 0.005 0.000 0.257 127 G C 0.173 175.040 174.900 -0.056 0.000 0.811 127 G CA 0.068 45.142 45.100 -0.044 0.000 1.178 127 G HN 0.318 nan 8.290 nan 0.000 0.389 128 M N 0.961 120.504 119.600 -0.095 0.000 2.184 128 M HA 0.370 4.853 4.480 0.005 0.000 0.351 128 M C 0.602 176.804 176.300 -0.164 0.000 1.395 128 M CA 0.423 55.648 55.300 -0.124 0.000 1.117 128 M CB 1.212 33.701 32.600 -0.186 0.000 1.708 128 M HN 0.403 nan 8.290 nan 0.000 0.468 129 T N 3.596 118.024 114.554 -0.210 0.000 2.982 129 T HA 0.586 4.939 4.350 0.005 0.000 0.321 129 T C -1.391 173.163 174.700 -0.242 0.000 1.229 129 T CA -0.640 61.342 62.100 -0.196 0.000 1.044 129 T CB 0.822 69.648 68.868 -0.070 0.000 1.184 129 T HN 0.309 nan 8.240 nan 0.000 0.477 130 F N 2.974 122.933 119.950 0.015 0.000 2.399 130 F HA 0.568 5.098 4.527 0.005 0.000 0.334 130 F C 1.555 177.349 175.800 -0.009 0.000 1.097 130 F CA -0.461 57.543 58.000 0.006 0.000 1.076 130 F CB 1.745 40.744 39.000 -0.002 0.000 1.162 130 F HN 0.765 nan 8.300 nan 0.000 0.495 131 T N -2.117 112.548 114.554 0.185 0.000 2.880 131 T HA 0.257 4.610 4.350 0.005 0.000 0.279 131 T C 1.309 175.997 174.700 -0.019 0.000 0.990 131 T CA -0.050 62.090 62.100 0.067 0.000 0.938 131 T CB 0.873 69.783 68.868 0.070 0.000 1.206 131 T HN 0.564 nan 8.240 nan 0.000 0.573 132 S N 0.618 116.285 115.700 -0.054 0.000 2.365 132 S HA -0.227 4.246 4.470 0.005 0.000 0.225 132 S C 1.567 176.056 174.600 -0.186 0.000 1.039 132 S CA 1.626 59.770 58.200 -0.093 0.000 1.033 132 S CB -0.999 62.157 63.200 -0.074 0.000 0.887 132 S HN 0.819 nan 8.310 nan 0.000 0.447 133 E N 1.369 121.368 120.200 -0.335 0.000 2.478 133 E HA 0.321 4.674 4.350 0.005 0.000 0.198 133 E C 1.248 177.493 176.600 -0.592 0.000 1.046 133 E CA 0.429 56.491 56.400 -0.563 0.000 0.870 133 E CB -0.609 28.486 29.700 -1.008 0.000 0.818 133 E HN 0.726 nan 8.360 nan 0.000 0.527 134 G N 0.507 109.080 108.800 -0.379 0.000 2.182 134 G HA2 -0.270 3.693 3.960 0.005 0.000 0.248 134 G HA3 -0.270 3.693 3.960 0.005 0.000 0.248 134 G C -0.234 174.631 174.900 -0.058 0.000 1.042 134 G CA -0.268 44.698 45.100 -0.225 0.000 0.775 134 G HN 0.115 nan 8.290 nan 0.000 0.501 135 F N -1.053 118.960 119.950 0.104 0.000 2.380 135 F HA 0.722 5.252 4.527 0.005 0.000 0.325 135 F C 0.605 176.508 175.800 0.172 0.000 1.136 135 F CA -1.840 56.221 58.000 0.102 0.000 1.171 135 F CB 0.978 40.029 39.000 0.086 0.000 1.230 135 F HN 0.109 nan 8.300 nan 0.000 0.554 136 L N 1.885 123.271 121.223 0.271 0.000 2.313 136 L HA 0.636 4.979 4.340 0.005 0.000 0.283 136 L C -0.184 176.620 176.870 -0.109 0.000 1.013 136 L CA -0.120 54.778 54.840 0.097 0.000 0.816 136 L CB 1.207 43.318 42.059 0.088 0.000 1.236 136 L HN 0.745 nan 8.230 nan 0.000 0.419 137 T N 1.739 116.215 114.554 -0.130 0.000 2.908 137 T HA 0.863 5.216 4.350 0.005 0.000 0.290 137 T C -0.479 174.126 174.700 -0.157 0.000 1.034 137 T CA -0.504 61.442 62.100 -0.256 0.000 1.010 137 T CB 1.582 70.325 68.868 -0.208 0.000 1.068 137 T HN 0.610 nan 8.240 nan 0.000 0.481 138 F N -1.471 118.325 119.950 -0.256 0.000 2.985 138 F HA 0.882 5.411 4.527 0.005 0.000 0.322 138 F C -1.301 174.363 175.800 -0.227 0.000 1.187 138 F CA -1.226 56.627 58.000 -0.245 0.000 0.910 138 F CB 1.105 39.934 39.000 -0.285 0.000 1.411 138 F HN 0.670 nan 8.300 nan 0.000 0.492 139 E N -0.058 120.253 120.200 0.185 0.000 2.408 139 E HA 0.589 4.941 4.350 0.005 0.000 0.275 139 E C -1.459 175.166 176.600 0.042 0.000 0.935 139 E CA -0.919 55.507 56.400 0.044 0.000 0.775 139 E CB 2.986 32.718 29.700 0.053 0.000 1.277 139 E HN 0.868 nan 8.360 nan 0.000 0.455 140 T N -1.767 112.654 114.554 -0.221 0.000 2.838 140 T HA 0.276 4.628 4.350 0.005 0.000 0.292 140 T C 0.773 174.901 174.700 -0.954 0.000 1.113 140 T CA -0.821 60.872 62.100 -0.677 0.000 1.008 140 T CB 1.794 70.496 68.868 -0.277 0.000 1.259 140 T HN 0.353 nan 8.240 nan 0.000 0.520 141 K N 0.460 120.096 120.400 -1.273 0.000 2.189 141 K HA -0.164 4.159 4.320 0.005 0.000 0.207 141 K C 0.523 176.970 176.600 -0.255 0.000 1.046 141 K CA 2.361 58.295 56.287 -0.588 0.000 0.928 141 K CB -0.604 31.742 32.500 -0.256 0.000 0.720 141 K HN 0.741 nan 8.250 nan 0.000 0.458 142 D N -1.595 118.670 120.400 -0.225 0.000 2.556 142 D HA 0.283 4.926 4.640 0.005 0.000 0.237 142 D C -0.828 175.373 176.300 -0.164 0.000 1.296 142 D CA -0.117 53.799 54.000 -0.141 0.000 0.807 142 D CB 0.637 41.389 40.800 -0.080 0.000 1.084 142 D HN 0.044 nan 8.370 nan 0.000 0.510 143 L N -0.117 120.981 121.223 -0.208 0.000 2.409 143 L HA 0.697 5.040 4.340 0.005 0.000 0.255 143 L C -0.754 175.965 176.870 -0.252 0.000 1.027 143 L CA -1.059 53.634 54.840 -0.244 0.000 0.834 143 L CB 2.226 44.113 42.059 -0.287 0.000 1.426 143 L HN -0.171 nan 8.230 nan 0.000 0.411 144 S N -0.211 115.304 115.700 -0.309 0.000 2.575 144 S HA 0.855 5.328 4.470 0.005 0.000 0.278 144 S C -1.040 173.254 174.600 -0.509 0.000 1.139 144 S CA -0.732 57.250 58.200 -0.363 0.000 0.954 144 S CB 1.918 64.951 63.200 -0.279 0.000 1.054 144 S HN 0.280 nan 8.310 nan 0.000 0.483 145 V N 3.080 122.524 119.914 -0.783 0.000 2.815 145 V HA 0.683 4.806 4.120 0.005 0.000 0.314 145 V C -0.602 174.945 176.094 -0.911 0.000 1.064 145 V CA -0.855 60.883 62.300 -0.936 0.000 0.952 145 V CB 1.844 32.824 31.823 -1.406 0.000 1.020 145 V HN 0.984 nan 8.190 nan 0.000 0.439 146 I N 4.071 124.189 120.570 -0.753 0.000 2.529 146 I HA 0.537 4.710 4.170 0.005 0.000 0.284 146 I C -1.261 174.368 176.117 -0.813 0.000 1.088 146 I CA -0.260 60.598 61.300 -0.736 0.000 1.062 146 I CB 1.058 38.647 38.000 -0.685 0.000 1.218 146 I HN 0.536 nan 8.210 nan 0.000 0.442 147 I N 8.130 128.283 120.570 -0.696 0.000 2.321 147 I HA 0.322 4.495 4.170 0.005 0.000 0.291 147 I C -0.617 175.187 176.117 -0.520 0.000 0.998 147 I CA -0.457 60.465 61.300 -0.631 0.000 1.227 147 I CB 0.852 38.471 38.000 -0.634 0.000 1.368 147 I HN 0.459 nan 8.210 nan 0.000 0.466 148 Y N 3.256 123.371 120.300 -0.308 0.000 2.378 148 Y HA 0.298 4.851 4.550 0.005 0.000 0.351 148 Y C 1.764 177.728 175.900 0.107 0.000 1.351 148 Y CA -0.128 57.788 58.100 -0.308 0.000 1.616 148 Y CB 0.138 38.257 38.460 -0.568 0.000 1.622 148 Y HN 0.602 nan 8.280 nan 0.000 0.568 149 G N 0.283 109.420 108.800 0.562 0.000 2.450 149 G HA2 -0.275 3.688 3.960 0.005 0.000 0.220 149 G HA3 -0.275 3.688 3.960 0.005 0.000 0.220 149 G C 0.888 175.886 174.900 0.163 0.000 1.130 149 G CA 1.157 46.450 45.100 0.322 0.000 0.760 149 G HN 0.656 nan 8.290 nan 0.000 0.557 150 N N -1.431 117.362 118.700 0.155 0.000 2.279 150 N HA 0.101 4.844 4.740 0.005 0.000 0.226 150 N C 0.587 176.217 175.510 0.201 0.000 1.126 150 N CA -0.716 52.398 53.050 0.106 0.000 0.846 150 N CB -0.340 38.188 38.487 0.068 0.000 1.050 150 N HN 0.276 nan 8.380 nan 0.000 0.502 151 F N -0.222 119.740 119.950 0.020 0.000 2.840 151 F HA -0.278 4.252 4.527 0.005 0.000 0.310 151 F C 0.223 176.030 175.800 0.013 0.000 0.688 151 F CA 0.322 58.327 58.000 0.008 0.000 1.286 151 F CB -1.120 37.866 39.000 -0.023 0.000 1.612 151 F HN 0.109 nan 8.300 nan 0.000 0.335 152 K N 2.336 122.820 120.400 0.140 0.000 2.430 152 K HA 0.210 4.533 4.320 0.005 0.000 0.280 152 K C -0.237 176.315 176.600 -0.079 0.000 1.063 152 K CA 0.799 57.145 56.287 0.098 0.000 1.071 152 K CB 0.496 33.093 32.500 0.162 0.000 0.899 152 K HN 0.168 nan 8.250 nan 0.000 0.473 153 T N 5.785 120.292 114.554 -0.078 0.000 2.824 153 T HA 0.476 4.828 4.350 0.005 0.000 0.280 153 T C -0.645 173.915 174.700 -0.232 0.000 0.995 153 T CA -0.650 61.310 62.100 -0.233 0.000 1.009 153 T CB 0.716 69.486 68.868 -0.164 0.000 0.955 153 T HN 0.531 nan 8.240 nan 0.000 0.452 154 R N 1.806 122.096 120.500 -0.349 0.000 2.502 154 R HA 0.594 4.937 4.340 0.005 0.000 0.300 154 R C -1.488 174.578 176.300 -0.390 0.000 0.984 154 R CA -0.582 55.332 56.100 -0.310 0.000 0.882 154 R CB 1.799 31.937 30.300 -0.270 0.000 1.180 154 R HN 0.384 nan 8.270 nan 0.000 0.444 155 V N 2.734 122.425 119.914 -0.372 0.000 2.347 155 V HA 0.405 4.528 4.120 0.005 0.000 0.280 155 V C -0.107 175.742 176.094 -0.409 0.000 1.021 155 V CA -0.576 61.458 62.300 -0.442 0.000 0.847 155 V CB 1.702 33.211 31.823 -0.523 0.000 0.990 155 V HN 0.718 nan 8.190 nan 0.000 0.444 156 T N 5.025 119.351 114.554 -0.380 0.000 2.797 156 T HA 0.391 4.744 4.350 0.005 0.000 0.279 156 T C 0.064 174.583 174.700 -0.303 0.000 0.991 156 T CA -0.495 61.414 62.100 -0.318 0.000 0.979 156 T CB 1.097 69.805 68.868 -0.266 0.000 0.943 156 T HN 0.668 nan 8.240 nan 0.000 0.444 157 R N 3.098 123.431 120.500 -0.277 0.000 2.248 157 R HA 0.174 4.517 4.340 0.005 0.000 0.337 157 R C 1.227 177.423 176.300 -0.174 0.000 1.085 157 R CA -0.188 55.778 56.100 -0.223 0.000 0.934 157 R CB 0.152 30.334 30.300 -0.197 0.000 1.034 157 R HN 0.640 nan 8.270 nan 0.000 0.465 158 K N 1.239 121.542 120.400 -0.161 0.000 2.052 158 K HA -0.254 4.069 4.320 0.005 0.000 0.215 158 K C 1.768 178.307 176.600 -0.101 0.000 1.053 158 K CA 2.456 58.666 56.287 -0.128 0.000 0.934 158 K CB -0.149 32.282 32.500 -0.114 0.000 0.717 158 K HN 0.713 nan 8.250 nan 0.000 0.450 159 S N 0.995 116.643 115.700 -0.088 0.000 2.493 159 S HA -0.135 4.338 4.470 0.005 0.000 0.243 159 S C 0.845 175.404 174.600 -0.068 0.000 0.991 159 S CA 1.639 59.799 58.200 -0.067 0.000 0.957 159 S CB -0.208 62.960 63.200 -0.054 0.000 0.756 159 S HN 0.488 nan 8.310 nan 0.000 0.521 160 D N -2.305 118.044 120.400 -0.085 0.000 2.530 160 D HA 0.199 4.842 4.640 0.005 0.000 0.290 160 D C 0.993 177.232 176.300 -0.102 0.000 1.398 160 D CA 0.206 54.156 54.000 -0.083 0.000 0.848 160 D CB -0.718 40.038 40.800 -0.074 0.000 1.279 160 D HN 0.472 nan 8.370 nan 0.000 0.483 161 G N 1.511 110.238 108.800 -0.121 0.000 2.179 161 G HA2 -0.371 3.591 3.960 0.005 0.000 0.257 161 G HA3 -0.371 3.591 3.960 0.005 0.000 0.257 161 G C 0.113 174.913 174.900 -0.167 0.000 1.010 161 G CA 0.475 45.493 45.100 -0.137 0.000 0.736 161 G HN 0.618 nan 8.290 nan 0.000 0.513 162 K N 0.802 121.085 120.400 -0.193 0.000 2.316 162 K HA 0.442 4.764 4.320 0.005 0.000 0.289 162 K C 0.728 177.137 176.600 -0.319 0.000 1.070 162 K CA -0.665 55.473 56.287 -0.249 0.000 0.928 162 K CB 0.572 32.911 32.500 -0.268 0.000 1.039 162 K HN 0.029 nan 8.250 nan 0.000 0.480 163 V N 7.936 127.667 119.914 -0.306 0.000 2.409 163 V HA -0.047 4.076 4.120 0.005 0.000 0.270 163 V C 1.293 177.115 176.094 -0.454 0.000 1.019 163 V CA 0.329 62.433 62.300 -0.326 0.000 1.066 163 V CB -0.396 31.282 31.823 -0.242 0.000 1.021 163 V HN 0.801 nan 8.190 nan 0.000 0.476 164 I N 1.855 122.127 120.570 -0.497 0.000 3.708 164 I HA 0.370 4.543 4.170 0.005 0.000 0.302 164 I C 0.590 176.486 176.117 -0.368 0.000 1.255 164 I CA 0.670 61.574 61.300 -0.661 0.000 1.362 164 I CB 0.536 38.133 38.000 -0.672 0.000 1.100 164 I HN 0.540 nan 8.210 nan 0.000 0.434 165 M N 3.207 122.614 119.600 -0.322 0.000 2.265 165 M HA 0.391 4.874 4.480 0.005 0.000 0.262 165 M C -2.104 174.108 176.300 -0.147 0.000 1.026 165 M CA -0.156 55.020 55.300 -0.208 0.000 0.987 165 M CB 1.949 34.208 32.600 -0.568 0.000 1.937 165 M HN 0.450 nan 8.290 nan 0.000 0.481 166 E N 3.079 123.291 120.200 0.021 0.000 2.266 166 E HA 0.570 4.923 4.350 0.005 0.000 0.268 166 E C -0.693 175.937 176.600 0.049 0.000 0.879 166 E CA -0.922 55.480 56.400 0.002 0.000 0.762 166 E CB 1.544 31.269 29.700 0.041 0.000 1.199 166 E HN 0.686 nan 8.360 nan 0.000 0.422 167 N N 1.569 120.289 118.700 0.035 0.000 2.332 167 N HA 0.121 4.864 4.740 0.005 0.000 0.285 167 N C -0.792 174.779 175.510 0.101 0.000 1.292 167 N CA -0.340 52.768 53.050 0.097 0.000 0.947 167 N CB 0.150 38.729 38.487 0.155 0.000 1.084 167 N HN 0.648 nan 8.380 nan 0.000 0.529 168 D N -2.586 117.888 120.400 0.124 0.000 2.299 168 D HA 0.388 5.031 4.640 0.005 0.000 0.243 168 D C -1.391 174.956 176.300 0.078 0.000 0.982 168 D CA -0.468 53.583 54.000 0.086 0.000 0.924 168 D CB 1.232 42.083 40.800 0.085 0.000 1.238 168 D HN 0.471 nan 8.370 nan 0.000 0.484 169 E N 1.133 121.361 120.200 0.046 0.000 2.260 169 E HA 0.406 4.759 4.350 0.005 0.000 0.266 169 E C -1.576 175.031 176.600 0.013 0.000 0.887 169 E CA -0.920 55.501 56.400 0.035 0.000 0.777 169 E CB 2.497 32.214 29.700 0.029 0.000 1.205 169 E HN 0.235 nan 8.360 nan 0.000 0.414 170 V N 2.631 122.549 119.914 0.006 0.000 2.581 170 V HA 0.745 4.868 4.120 0.005 0.000 0.303 170 V C 0.148 176.236 176.094 -0.010 0.000 1.041 170 V CA -0.215 62.078 62.300 -0.011 0.000 0.907 170 V CB 1.657 33.464 31.823 -0.028 0.000 0.994 170 V HN 0.709 nan 8.190 nan 0.000 0.442 171 G N 3.635 112.426 108.800 -0.015 0.000 2.507 171 G HA2 0.568 4.530 3.960 0.005 0.000 0.271 171 G HA3 0.568 4.530 3.960 0.005 0.000 0.271 171 G C -0.012 174.877 174.900 -0.018 0.000 1.189 171 G CA 0.333 45.424 45.100 -0.015 0.000 0.859 171 G HN 1.139 nan 8.290 nan 0.000 0.542 172 T N -2.584 111.961 114.554 -0.016 0.000 2.807 172 T HA 0.663 5.015 4.350 0.005 0.000 0.277 172 T C 1.424 176.114 174.700 -0.017 0.000 1.006 172 T CA 0.237 62.326 62.100 -0.018 0.000 1.006 172 T CB 1.462 70.319 68.868 -0.018 0.000 1.274 172 T HN 0.799 nan 8.240 nan 0.000 0.569 173 A N 1.163 123.973 122.820 -0.017 0.000 1.825 173 A HA 0.232 4.555 4.320 0.005 0.000 0.214 173 A C 1.752 179.328 177.584 -0.014 0.000 1.206 173 A CA 1.428 53.456 52.037 -0.015 0.000 0.609 173 A CB -0.980 18.011 19.000 -0.015 0.000 0.851 173 A HN 1.521 nan 8.150 nan 0.000 0.445 174 S N -2.145 113.547 115.700 -0.013 0.000 2.665 174 S HA 0.536 5.009 4.470 0.005 0.000 0.235 174 S C -0.117 174.475 174.600 -0.012 0.000 1.084 174 S CA 0.184 58.376 58.200 -0.012 0.000 1.151 174 S CB 0.587 63.780 63.200 -0.011 0.000 1.151 174 S HN 0.236 nan 8.310 nan 0.000 0.461 175 S N 0.592 116.285 115.700 -0.012 0.000 2.817 175 S HA 0.659 5.132 4.470 0.005 0.000 0.262 175 S C 0.755 175.349 174.600 -0.009 0.000 1.051 175 S CA -0.028 58.166 58.200 -0.010 0.000 1.185 175 S CB 0.865 64.059 63.200 -0.010 0.000 1.152 175 S HN 1.495 nan 8.310 nan 0.000 0.653 176 G N 2.268 111.061 108.800 -0.011 0.000 2.707 176 G HA2 -0.177 3.786 3.960 0.005 0.000 0.686 176 G HA3 -0.177 3.786 3.960 0.005 0.000 0.686 176 G C -0.952 173.944 174.900 -0.007 0.000 1.315 176 G CA -1.055 44.039 45.100 -0.010 0.000 0.832 176 G HN 0.386 nan 8.290 nan 0.000 0.573 177 N N 0.933 119.630 118.700 -0.006 0.000 2.492 177 N HA 0.387 5.130 4.740 0.005 0.000 0.262 177 N C -0.176 175.340 175.510 0.011 0.000 1.202 177 N CA 0.027 53.077 53.050 0.000 0.000 0.926 177 N CB 0.502 38.989 38.487 -0.001 0.000 1.078 177 N HN 0.364 nan 8.380 nan 0.000 0.454 178 K N 2.130 122.540 120.400 0.015 0.000 2.425 178 K HA 0.191 4.514 4.320 0.005 0.000 0.259 178 K C -0.810 175.817 176.600 0.045 0.000 0.978 178 K CA -0.552 55.752 56.287 0.029 0.000 0.883 178 K CB 1.414 33.930 32.500 0.027 0.000 1.110 178 K HN 0.568 nan 8.250 nan 0.000 0.436 179 C N 4.503 123.842 119.300 0.066 0.000 2.627 179 C HA 0.206 4.669 4.460 0.005 0.000 0.404 179 C C 1.256 176.315 174.990 0.115 0.000 1.340 179 C CA -0.314 58.762 59.018 0.097 0.000 1.758 179 C CB -0.585 27.238 27.740 0.140 0.000 2.501 179 C HN 0.791 nan 8.230 nan 0.000 0.588 180 R N 3.638 124.207 120.500 0.115 0.000 2.310 180 R HA 0.090 4.433 4.340 0.005 0.000 0.202 180 R C 2.065 178.497 176.300 0.219 0.000 0.933 180 R CA 0.642 56.819 56.100 0.129 0.000 1.054 180 R CB -0.089 30.242 30.300 0.053 0.000 0.985 180 R HN 0.987 nan 8.270 nan 0.000 0.489 181 G N 0.868 109.817 108.800 0.249 0.000 2.586 181 G HA2 -0.097 3.866 3.960 0.005 0.000 0.215 181 G HA3 -0.097 3.866 3.960 0.005 0.000 0.215 181 G C 0.486 175.600 174.900 0.357 0.000 1.128 181 G CA 0.495 45.810 45.100 0.358 0.000 0.774 181 G HN 0.134 nan 8.290 nan 0.000 0.543 182 L N 0.116 121.468 121.223 0.214 0.000 2.555 182 L HA 0.517 4.860 4.340 0.005 0.000 0.264 182 L C -0.747 176.318 176.870 0.325 0.000 0.972 182 L CA -0.312 54.608 54.840 0.135 0.000 0.876 182 L CB 1.831 43.735 42.059 -0.259 0.000 1.216 182 L HN -0.023 nan 8.230 nan 0.000 0.415 183 M N 4.214 124.097 119.600 0.472 0.000 2.501 183 M HA 0.650 5.133 4.480 0.005 0.000 0.293 183 M C -1.403 175.269 176.300 0.620 0.000 1.192 183 M CA -0.620 54.955 55.300 0.458 0.000 0.886 183 M CB 2.878 35.724 32.600 0.409 0.000 1.710 183 M HN 0.414 nan 8.290 nan 0.000 0.457 184 F N -0.481 119.708 119.950 0.398 0.000 2.615 184 F HA 0.699 5.229 4.527 0.005 0.000 0.312 184 F C -1.109 174.696 175.800 0.007 0.000 1.119 184 F CA -1.335 56.789 58.000 0.207 0.000 0.979 184 F CB 0.250 39.296 39.000 0.076 0.000 1.266 184 F HN 0.232 nan 8.300 nan 0.000 0.444 185 V N 2.490 122.184 119.914 -0.367 0.000 2.694 185 V HA -0.039 4.084 4.120 0.005 0.000 0.306 185 V C 0.584 176.651 176.094 -0.045 0.000 1.054 185 V CA 0.176 62.096 62.300 -0.634 0.000 1.161 185 V CB -0.003 31.281 31.823 -0.899 0.000 0.916 185 V HN 0.851 nan 8.190 nan 0.000 0.490 186 D N 3.472 123.841 120.400 -0.052 0.000 2.571 186 D HA -0.057 4.586 4.640 0.005 0.000 0.231 186 D C 1.146 177.470 176.300 0.039 0.000 1.133 186 D CA -0.040 54.046 54.000 0.143 0.000 0.862 186 D CB 0.661 41.353 40.800 -0.179 0.000 1.179 186 D HN 0.359 nan 8.370 nan 0.000 0.474 187 R N 2.871 123.438 120.500 0.111 0.000 2.285 187 R HA 0.048 4.391 4.340 0.005 0.000 0.213 187 R C 1.646 177.950 176.300 0.006 0.000 1.068 187 R CA 0.372 56.485 56.100 0.021 0.000 1.004 187 R CB -0.353 29.944 30.300 -0.006 0.000 0.873 187 R HN 0.546 nan 8.270 nan 0.000 0.467 188 L N -0.997 120.205 121.223 -0.036 0.000 2.291 188 L HA -0.090 4.253 4.340 0.005 0.000 0.214 188 L C 0.731 177.845 176.870 0.408 0.000 1.120 188 L CA 0.825 55.697 54.840 0.055 0.000 0.799 188 L CB -0.087 41.896 42.059 -0.127 0.000 0.925 188 L HN 0.174 nan 8.230 nan 0.000 0.446 189 Y N -0.948 119.325 120.300 -0.045 0.000 2.527 189 Y HA 0.552 5.105 4.550 0.005 0.000 0.247 189 Y C 0.988 176.812 175.900 -0.127 0.000 1.138 189 Y CA -0.498 57.553 58.100 -0.082 0.000 1.228 189 Y CB 0.343 38.741 38.460 -0.105 0.000 1.252 189 Y HN 0.020 nan 8.280 nan 0.000 0.531 190 G N 0.297 109.100 108.800 0.004 0.000 2.327 190 G HA2 0.133 4.096 3.960 0.005 0.000 0.291 190 G HA3 0.133 4.096 3.960 0.005 0.000 0.291 190 G C -0.646 174.152 174.900 -0.169 0.000 1.290 190 G CA -0.559 44.471 45.100 -0.117 0.000 0.857 190 G HN 0.044 nan 8.290 nan 0.000 0.520 191 N N -0.427 118.104 118.700 -0.281 0.000 2.067 191 N HA 0.481 5.224 4.740 0.005 0.000 0.227 191 N C 0.770 176.121 175.510 -0.266 0.000 1.348 191 N CA 0.347 53.214 53.050 -0.306 0.000 0.879 191 N CB 1.308 39.494 38.487 -0.502 0.000 1.109 191 N HN 0.911 nan 8.380 nan 0.000 0.501 192 A N 1.311 123.987 122.820 -0.239 0.000 2.504 192 A HA 0.466 4.789 4.320 0.005 0.000 0.242 192 A C 0.342 178.004 177.584 0.130 0.000 1.100 192 A CA 0.130 52.161 52.037 -0.009 0.000 0.786 192 A CB -0.148 18.958 19.000 0.177 0.000 1.050 192 A HN 0.388 nan 8.150 nan 0.000 0.512 193 I N -4.301 116.493 120.570 0.374 0.000 3.102 193 I HA 0.883 5.056 4.170 0.005 0.000 0.310 193 I C -0.516 175.988 176.117 0.645 0.000 1.246 193 I CA -0.925 60.691 61.300 0.526 0.000 0.979 193 I CB 2.152 40.388 38.000 0.393 0.000 1.267 193 I HN 1.122 nan 8.210 nan 0.000 0.451 194 A N 1.857 125.070 122.820 0.655 0.000 2.594 194 A HA 0.760 5.083 4.320 0.005 0.000 0.296 194 A C -1.337 176.572 177.584 0.542 0.000 1.061 194 A CA -0.409 51.910 52.037 0.471 0.000 0.689 194 A CB 1.694 20.763 19.000 0.115 0.000 1.280 194 A HN 0.869 nan 8.150 nan 0.000 0.406 195 S N 0.802 116.808 115.700 0.510 0.000 2.707 195 S HA 0.581 5.054 4.470 0.005 0.000 0.303 195 S C -1.321 173.644 174.600 0.607 0.000 1.132 195 S CA -0.348 58.238 58.200 0.644 0.000 1.046 195 S CB 1.001 64.742 63.200 0.902 0.000 1.004 195 S HN 1.197 nan 8.310 nan 0.000 0.483 196 V N 5.977 126.159 119.914 0.447 0.000 2.333 196 V HA 0.420 4.543 4.120 0.005 0.000 0.274 196 V C 0.204 176.528 176.094 0.383 0.000 1.028 196 V CA -0.777 61.770 62.300 0.411 0.000 0.851 196 V CB 0.922 32.867 31.823 0.202 0.000 1.000 196 V HN 0.816 nan 8.190 nan 0.000 0.456 197 N N 3.401 122.370 118.700 0.449 0.000 2.434 197 N HA 0.322 5.065 4.740 0.005 0.000 0.266 197 N C -0.033 175.593 175.510 0.193 0.000 1.223 197 N CA -0.427 52.778 53.050 0.258 0.000 0.972 197 N CB 0.705 39.282 38.487 0.150 0.000 1.207 197 N HN 0.472 nan 8.380 nan 0.000 0.525 198 K N 1.298 121.771 120.400 0.122 0.000 2.234 198 K HA 0.168 4.491 4.320 0.005 0.000 0.282 198 K C -0.701 175.860 176.600 -0.066 0.000 1.039 198 K CA -0.379 55.881 56.287 -0.044 0.000 0.928 198 K CB 0.550 32.970 32.500 -0.132 0.000 1.039 198 K HN 0.435 nan 8.250 nan 0.000 0.470 199 N N 3.189 121.794 118.700 -0.158 0.000 2.446 199 N HA 0.177 4.920 4.740 0.005 0.000 0.265 199 N C -0.788 174.663 175.510 -0.100 0.000 0.975 199 N CA -0.433 52.657 53.050 0.067 0.000 0.928 199 N CB 0.432 39.008 38.487 0.148 0.000 1.160 199 N HN 0.335 nan 8.380 nan 0.000 0.495 200 F N 2.414 122.502 119.950 0.229 0.000 2.639 200 F HA 0.249 4.779 4.527 0.005 0.000 0.300 200 F C 1.970 177.848 175.800 0.130 0.000 1.109 200 F CA -0.376 57.717 58.000 0.155 0.000 1.335 200 F CB 0.259 39.350 39.000 0.151 0.000 1.014 200 F HN 0.530 nan 8.300 nan 0.000 0.537 201 R N -0.298 120.365 120.500 0.272 0.000 2.105 201 R HA -0.168 4.175 4.340 0.005 0.000 0.239 201 R C 1.228 177.605 176.300 0.128 0.000 1.135 201 R CA 1.800 58.015 56.100 0.192 0.000 0.967 201 R CB -0.596 29.831 30.300 0.211 0.000 0.861 201 R HN 0.141 nan 8.270 nan 0.000 0.442 202 N N 1.023 119.793 118.700 0.116 0.000 2.446 202 N HA -0.075 4.668 4.740 0.005 0.000 0.179 202 N C -0.164 175.403 175.510 0.095 0.000 1.054 202 N CA 0.521 53.619 53.050 0.081 0.000 0.905 202 N CB -0.251 38.270 38.487 0.056 0.000 0.973 202 N HN 0.342 nan 8.380 nan 0.000 0.448 203 D N 0.786 121.274 120.400 0.146 0.000 2.434 203 D HA 0.012 4.655 4.640 0.005 0.000 0.252 203 D C 0.769 177.131 176.300 0.103 0.000 1.185 203 D CA -0.052 54.039 54.000 0.152 0.000 0.886 203 D CB 1.089 42.042 40.800 0.254 0.000 1.148 203 D HN 0.128 nan 8.370 nan 0.000 0.483 204 A N 3.643 126.506 122.820 0.072 0.000 2.121 204 A HA -0.067 4.256 4.320 0.005 0.000 0.218 204 A C 2.045 179.654 177.584 0.042 0.000 1.154 204 A CA 0.663 52.729 52.037 0.048 0.000 0.679 204 A CB 0.129 19.151 19.000 0.036 0.000 0.795 204 A HN 0.528 nan 8.150 nan 0.000 0.458 205 V N -0.654 119.289 119.914 0.048 0.000 2.685 205 V HA -0.094 4.029 4.120 0.005 0.000 0.244 205 V C 2.273 178.395 176.094 0.048 0.000 1.054 205 V CA 1.858 64.179 62.300 0.036 0.000 1.076 205 V CB -0.257 31.580 31.823 0.023 0.000 0.725 205 V HN 0.516 nan 8.190 nan 0.000 0.467 206 K N -0.530 119.913 120.400 0.072 0.000 2.044 206 K HA 0.055 4.378 4.320 0.005 0.000 0.204 206 K C 0.503 177.141 176.600 0.064 0.000 1.045 206 K CA 0.408 56.753 56.287 0.097 0.000 0.951 206 K CB -0.017 32.564 32.500 0.134 0.000 0.738 206 K HN 0.267 nan 8.250 nan 0.000 0.443 207 Q N 1.231 121.080 119.800 0.080 0.000 2.468 207 Q HA -0.183 4.160 4.340 0.005 0.000 0.289 207 Q C -1.115 174.893 176.000 0.014 0.000 1.299 207 Q CA 0.406 56.236 55.803 0.046 0.000 0.838 207 Q CB -1.595 27.153 28.738 0.017 0.000 1.195 207 Q HN 0.433 nan 8.270 nan 0.000 0.456 208 E N -0.511 119.712 120.200 0.039 0.000 2.492 208 E HA 0.136 4.489 4.350 0.005 0.000 0.266 208 E C 0.665 177.166 176.600 -0.165 0.000 1.047 208 E CA 0.925 57.273 56.400 -0.086 0.000 0.968 208 E CB 0.459 30.130 29.700 -0.049 0.000 0.960 208 E HN 0.396 nan 8.360 nan 0.000 0.452 209 G N 2.017 110.623 108.800 -0.323 0.000 2.666 209 G HA2 0.489 4.452 3.960 0.005 0.000 0.303 209 G HA3 0.489 4.452 3.960 0.005 0.000 0.303 209 G C -1.357 173.240 174.900 -0.506 0.000 1.412 209 G CA -0.601 44.319 45.100 -0.299 0.000 0.979 209 G HN 0.263 nan 8.290 nan 0.000 0.507 210 F N 2.204 121.966 119.950 -0.315 0.000 2.332 210 F HA 0.501 5.031 4.527 0.005 0.000 0.368 210 F C -0.081 175.492 175.800 -0.378 0.000 1.110 210 F CA -0.557 57.301 58.000 -0.237 0.000 1.087 210 F CB 1.113 40.012 39.000 -0.168 0.000 1.235 210 F HN 0.370 nan 8.300 nan 0.000 0.470 211 Y N 0.631 120.922 120.300 -0.015 0.000 2.654 211 Y HA 0.807 5.360 4.550 0.005 0.000 0.327 211 Y C 1.046 176.924 175.900 -0.036 0.000 1.122 211 Y CA -0.215 57.877 58.100 -0.014 0.000 1.227 211 Y CB 1.381 39.822 38.460 -0.031 0.000 1.370 211 Y HN 0.709 nan 8.280 nan 0.000 0.528 212 G N 0.091 109.015 108.800 0.206 0.000 2.826 212 G HA2 0.101 4.064 3.960 0.005 0.000 0.233 212 G HA3 0.101 4.064 3.960 0.005 0.000 0.233 212 G C 0.503 175.506 174.900 0.172 0.000 1.296 212 G CA 0.289 45.498 45.100 0.181 0.000 1.001 212 G HN 1.862 nan 8.290 nan 0.000 0.576 213 A N -0.500 122.413 122.820 0.155 0.000 2.847 213 A HA 0.371 4.694 4.320 0.005 0.000 0.263 213 A C 2.070 179.730 177.584 0.128 0.000 1.391 213 A CA 1.779 53.881 52.037 0.108 0.000 0.866 213 A CB -1.781 17.248 19.000 0.049 0.000 1.057 213 A HN 3.253 nan 8.150 nan 0.000 0.673 214 G N -1.103 107.812 108.800 0.191 0.000 2.561 214 G HA2 -0.319 3.644 3.960 0.005 0.000 0.289 214 G HA3 -0.319 3.644 3.960 0.005 0.000 0.289 214 G C 0.299 175.288 174.900 0.149 0.000 1.169 214 G CA 0.779 46.000 45.100 0.202 0.000 0.980 214 G HN 1.268 nan 8.290 nan 0.000 0.550 215 E N 0.116 120.387 120.200 0.119 0.000 2.419 215 E HA 0.379 4.732 4.350 0.005 0.000 0.190 215 E C 0.634 177.223 176.600 -0.017 0.000 1.040 215 E CA -0.217 56.207 56.400 0.040 0.000 0.900 215 E CB 0.629 30.342 29.700 0.021 0.000 1.054 215 E HN 0.329 nan 8.360 nan 0.000 0.462 216 V N 2.870 122.798 119.914 0.024 0.000 2.673 216 V HA -0.054 4.069 4.120 0.005 0.000 0.303 216 V C 0.384 176.509 176.094 0.052 0.000 1.046 216 V CA 0.104 62.417 62.300 0.023 0.000 1.126 216 V CB 0.463 32.319 31.823 0.055 0.000 0.934 216 V HN 0.290 nan 8.190 nan 0.000 0.487 217 N N 2.819 121.556 118.700 0.062 0.000 2.400 217 N HA 0.362 5.105 4.740 0.005 0.000 0.288 217 N C -0.981 174.700 175.510 0.285 0.000 1.024 217 N CA -0.301 52.848 53.050 0.164 0.000 0.894 217 N CB 1.845 40.398 38.487 0.110 0.000 1.173 217 N HN 0.641 nan 8.380 nan 0.000 0.487 218 C N 2.818 122.332 119.300 0.357 0.000 2.386 218 C HA 0.249 4.712 4.460 0.005 0.000 0.318 218 C C 0.257 175.309 174.990 0.104 0.000 1.128 218 C CA -0.888 58.295 59.018 0.276 0.000 1.438 218 C CB -0.633 27.235 27.740 0.214 0.000 1.987 218 C HN 0.637 nan 8.230 nan 0.000 0.426 219 K N 3.902 124.205 120.400 -0.161 0.000 2.379 219 K HA 0.237 4.560 4.320 0.005 0.000 0.284 219 K C -1.212 175.343 176.600 -0.075 0.000 1.044 219 K CA -0.084 55.849 56.287 -0.589 0.000 0.974 219 K CB 0.498 32.599 32.500 -0.665 0.000 0.962 219 K HN 0.765 nan 8.250 nan 0.000 0.474 220 Y N 5.554 125.763 120.300 -0.152 0.000 2.338 220 Y HA 0.112 4.665 4.550 0.005 0.000 0.328 220 Y C 0.464 176.352 175.900 -0.020 0.000 0.965 220 Y CA -0.262 57.818 58.100 -0.033 0.000 1.208 220 Y CB 0.674 39.135 38.460 0.002 0.000 1.132 220 Y HN 0.958 nan 8.280 nan 0.000 0.469 221 Q N 2.280 121.713 119.800 -0.611 0.000 2.159 221 Q HA -0.355 3.988 4.340 0.005 0.000 0.399 221 Q C -0.131 175.762 176.000 -0.178 0.000 0.621 221 Q CA 2.529 58.078 55.803 -0.424 0.000 0.969 221 Q CB -0.963 27.442 28.738 -0.555 0.000 2.401 221 Q HN 0.890 nan 8.270 nan 0.000 0.869 222 D N 0.025 120.378 120.400 -0.078 0.000 2.433 222 D HA 0.187 4.830 4.640 0.005 0.000 0.211 222 D C -0.232 176.215 176.300 0.245 0.000 1.114 222 D CA 0.444 54.495 54.000 0.086 0.000 0.837 222 D CB 0.759 41.618 40.800 0.098 0.000 0.984 222 D HN 0.135 nan 8.370 nan 0.000 0.505 223 T N 0.095 114.743 114.554 0.157 0.000 2.876 223 T HA 0.349 4.702 4.350 0.005 0.000 0.289 223 T C -0.641 174.085 174.700 0.044 0.000 1.014 223 T CA -0.506 61.734 62.100 0.233 0.000 0.986 223 T CB 1.656 70.727 68.868 0.337 0.000 1.021 223 T HN -0.171 nan 8.240 nan 0.000 0.458 224 Y N 2.478 122.838 120.300 0.101 0.000 2.316 224 Y HA 0.565 5.118 4.550 0.004 0.000 0.331 224 Y C 0.693 176.659 175.900 0.110 0.000 1.083 224 Y CA -0.923 57.233 58.100 0.093 0.000 1.206 224 Y CB 0.474 38.954 38.460 0.033 0.000 1.195 224 Y HN 0.509 nan 8.280 nan 0.000 0.497 225 I N 0.660 121.367 120.570 0.227 0.000 2.797 225 I HA 0.362 4.535 4.170 0.005 0.000 0.307 225 I C 0.274 176.480 176.117 0.148 0.000 1.033 225 I CA -1.079 60.320 61.300 0.166 0.000 1.071 225 I CB 1.537 39.603 38.000 0.110 0.000 1.255 225 I HN 0.487 nan 8.210 nan 0.000 0.445 226 L N 1.924 123.228 121.223 0.135 0.000 2.109 226 L HA 0.198 4.541 4.340 0.005 0.000 0.207 226 L C 1.063 177.995 176.870 0.103 0.000 1.086 226 L CA 1.654 56.584 54.840 0.149 0.000 0.760 226 L CB -0.599 41.578 42.059 0.197 0.000 0.910 226 L HN 0.831 nan 8.230 nan 0.000 0.437 227 E N 0.021 120.222 120.200 0.000 0.000 2.301 227 E HA 0.164 4.516 4.350 0.005 0.000 0.275 227 E C -0.311 176.202 176.600 -0.144 0.000 1.030 227 E CA -0.561 55.715 56.400 -0.206 0.000 0.852 227 E CB 0.580 30.072 29.700 -0.346 0.000 1.060 227 E HN 0.135 nan 8.360 nan 0.000 0.401 228 R N 3.121 123.516 120.500 -0.175 0.000 3.335 228 R HA 0.222 4.564 4.340 0.005 0.000 0.337 228 R C -0.819 175.416 176.300 -0.108 0.000 1.283 228 R CA -0.207 55.834 56.100 -0.098 0.000 1.246 228 R CB 0.626 30.899 30.300 -0.044 0.000 1.464 228 R HN 0.358 nan 8.270 nan 0.000 0.607 229 T N -0.534 113.947 114.554 -0.121 0.000 2.859 229 T HA 0.390 4.743 4.350 0.005 0.000 0.281 229 T C 0.799 175.417 174.700 -0.137 0.000 1.005 229 T CA 0.014 62.079 62.100 -0.058 0.000 1.025 229 T CB 1.827 70.695 68.868 -0.000 0.000 0.977 229 T HN 0.609 nan 8.240 nan 0.000 0.458 230 G N 2.653 111.354 108.800 -0.165 0.000 2.323 230 G HA2 -0.202 3.761 3.960 0.005 0.000 0.292 230 G HA3 -0.202 3.761 3.960 0.005 0.000 0.292 230 G C -0.027 174.705 174.900 -0.281 0.000 1.040 230 G CA 0.727 45.715 45.100 -0.186 0.000 0.942 230 G HN 0.969 nan 8.290 nan 0.000 0.506 231 I N -3.785 116.570 120.570 -0.359 0.000 2.894 231 I HA 0.858 5.031 4.170 0.005 0.000 0.302 231 I C -0.041 175.919 176.117 -0.263 0.000 1.188 231 I CA -1.393 59.575 61.300 -0.555 0.000 1.014 231 I CB 2.334 39.863 38.000 -0.786 0.000 1.242 231 I HN 0.438 nan 8.210 nan 0.000 0.430 232 A N 6.213 129.037 122.820 0.008 0.000 2.412 232 A HA 0.787 5.110 4.320 0.005 0.000 0.334 232 A C -0.231 177.509 177.584 0.260 0.000 1.419 232 A CA -0.553 51.576 52.037 0.153 0.000 0.930 232 A CB 0.139 19.312 19.000 0.288 0.000 1.149 232 A HN 0.779 nan 8.150 nan 0.000 0.515 233 M N 0.732 120.395 119.600 0.106 0.000 2.527 233 M HA 0.645 5.128 4.480 0.005 0.000 0.283 233 M C 0.504 176.806 176.300 0.003 0.000 1.188 233 M CA -0.322 55.032 55.300 0.090 0.000 0.941 233 M CB 1.686 34.304 32.600 0.031 0.000 1.498 233 M HN 0.563 nan 8.290 nan 0.000 0.510 234 T N -0.537 113.973 114.554 -0.074 0.000 2.792 234 T HA 0.447 4.800 4.350 0.005 0.000 0.303 234 T C -1.864 172.720 174.700 -0.194 0.000 1.310 234 T CA -0.913 61.040 62.100 -0.246 0.000 1.007 234 T CB 1.222 69.893 68.868 -0.329 0.000 1.335 234 T HN 0.641 nan 8.240 nan 0.000 0.504 235 N N 2.180 120.727 118.700 -0.255 0.000 2.540 235 N HA 0.392 5.135 4.740 0.005 0.000 0.275 235 N C -1.996 173.483 175.510 -0.051 0.000 1.053 235 N CA -0.275 52.701 53.050 -0.123 0.000 0.876 235 N CB 1.228 39.652 38.487 -0.105 0.000 1.284 235 N HN 0.621 nan 8.380 nan 0.000 0.518 236 Y N 1.964 122.159 120.300 -0.175 0.000 2.542 236 Y HA 0.254 4.807 4.550 0.004 0.000 0.316 236 Y C -0.776 175.078 175.900 -0.077 0.000 1.107 236 Y CA -0.794 57.213 58.100 -0.155 0.000 1.233 236 Y CB 0.067 38.392 38.460 -0.225 0.000 1.111 236 Y HN 0.262 nan 8.280 nan 0.000 0.613 237 N N 3.090 121.715 118.700 -0.125 0.000 2.236 237 N HA -0.078 4.665 4.740 0.005 0.000 0.274 237 N C -1.228 174.250 175.510 -0.055 0.000 1.339 237 N CA 1.195 54.206 53.050 -0.065 0.000 0.845 237 N CB -0.103 38.358 38.487 -0.043 0.000 1.091 237 N HN 0.563 nan 8.380 nan 0.000 0.489 238 Y N 0.135 120.322 120.300 -0.189 0.000 2.553 238 Y HA 0.152 4.705 4.550 0.004 0.000 0.347 238 Y C -0.001 175.830 175.900 -0.116 0.000 1.019 238 Y CA -1.239 56.761 58.100 -0.166 0.000 1.032 238 Y CB 1.530 39.895 38.460 -0.158 0.000 1.284 238 Y HN 0.353 nan 8.280 nan 0.000 0.466 239 D N 2.309 122.566 120.400 -0.239 0.000 2.982 239 D HA -0.043 4.600 4.640 0.005 0.000 0.238 239 D C -0.206 176.182 176.300 0.147 0.000 1.168 239 D CA 0.329 54.328 54.000 -0.003 0.000 0.947 239 D CB -0.801 39.920 40.800 -0.132 0.000 1.147 239 D HN 0.375 nan 8.370 nan 0.000 0.450 240 N N 1.467 120.214 118.700 0.077 0.000 3.193 240 N HA 0.003 4.745 4.740 0.005 0.000 0.312 240 N C -0.102 175.574 175.510 0.277 0.000 1.261 240 N CA -0.253 52.878 53.050 0.135 0.000 1.208 240 N CB -0.588 37.849 38.487 -0.084 0.000 1.471 240 N HN 0.408 nan 8.380 nan 0.000 0.548 241 L N 1.699 123.111 121.223 0.316 0.000 2.593 241 L HA -0.129 4.214 4.340 0.005 0.000 0.287 241 L C 0.789 177.779 176.870 0.200 0.000 1.243 241 L CA 0.853 55.868 54.840 0.292 0.000 0.890 241 L CB 0.006 42.218 42.059 0.254 0.000 1.134 241 L HN 0.708 nan 8.230 nan 0.000 0.502 242 N N 2.272 120.986 118.700 0.024 0.000 2.929 242 N HA -0.315 4.427 4.740 0.005 0.000 0.234 242 N C -0.370 175.146 175.510 0.010 0.000 0.908 242 N CA 0.876 53.854 53.050 -0.119 0.000 0.993 242 N CB -0.645 37.897 38.487 0.091 0.000 1.075 242 N HN 0.795 nan 8.380 nan 0.000 0.603 243 Y N -2.739 117.697 120.300 0.227 0.000 4.929 243 Y HA -0.247 4.306 4.550 0.005 0.000 0.253 243 Y C 0.658 176.629 175.900 0.119 0.000 0.946 243 Y CA 1.250 59.438 58.100 0.147 0.000 1.905 243 Y CB -2.614 35.957 38.460 0.185 0.000 1.400 243 Y HN 0.612 nan 8.280 nan 0.000 0.531 244 N N -1.028 117.842 118.700 0.283 0.000 2.553 244 N HA 0.133 4.876 4.740 0.005 0.000 0.298 244 N C -0.444 175.221 175.510 0.259 0.000 1.596 244 N CA -0.302 52.888 53.050 0.233 0.000 0.910 244 N CB 0.307 38.943 38.487 0.247 0.000 1.336 244 N HN 0.084 nan 8.380 nan 0.000 0.497 245 Q N 0.495 120.447 119.800 0.253 0.000 2.247 245 Q HA -0.109 4.234 4.340 0.005 0.000 0.288 245 Q C 0.846 177.049 176.000 0.339 0.000 1.079 245 Q CA 0.061 56.051 55.803 0.312 0.000 0.932 245 Q CB 0.678 29.626 28.738 0.350 0.000 1.133 245 Q HN 0.554 nan 8.270 nan 0.000 0.377 246 W N 4.371 125.777 121.300 0.178 0.000 2.290 246 W HA -0.279 4.386 4.660 0.007 0.000 0.318 246 W C 0.922 177.539 176.519 0.163 0.000 1.248 246 W CA 2.025 59.464 57.345 0.157 0.000 1.263 246 W CB 0.123 29.671 29.460 0.146 0.000 1.147 246 W HN 0.728 nan 8.180 nan 0.000 0.494 247 D N 0.553 121.105 120.400 0.255 0.000 2.407 247 D HA -0.161 4.482 4.640 0.005 0.000 0.234 247 D C 1.319 177.738 176.300 0.199 0.000 1.029 247 D CA 0.952 55.060 54.000 0.180 0.000 0.937 247 D CB -1.075 39.934 40.800 0.348 0.000 0.882 247 D HN 0.288 nan 8.370 nan 0.000 0.531 248 L N -0.278 120.999 121.223 0.090 0.000 2.857 248 L HA 0.223 4.566 4.340 0.005 0.000 0.249 248 L C 0.988 177.931 176.870 0.122 0.000 1.172 248 L CA -0.712 54.184 54.840 0.092 0.000 0.980 248 L CB -0.062 41.957 42.059 -0.068 0.000 1.299 248 L HN -0.060 nan 8.230 nan 0.000 0.535 249 R N 0.930 121.359 120.500 -0.119 0.000 2.643 249 R HA 0.293 4.636 4.340 0.005 0.000 0.270 249 R C -2.518 173.572 176.300 -0.351 0.000 1.061 249 R CA -1.531 54.395 56.100 -0.289 0.000 1.107 249 R CB -0.574 29.291 30.300 -0.725 0.000 0.999 249 R HN -0.172 nan 8.270 nan 0.000 0.460 250 P HA 0.115 nan 4.420 nan 0.000 0.267 250 P C -2.362 174.508 177.300 -0.718 0.000 1.205 250 P CA -1.129 61.359 63.100 -1.020 0.000 0.765 250 P CB 0.090 31.428 31.700 -0.604 0.000 0.828 251 P HA -0.153 nan 4.420 nan 0.000 0.263 251 P C -0.180 176.867 177.300 -0.422 0.000 1.162 251 P CA 0.946 63.618 63.100 -0.713 0.000 0.758 251 P CB -0.459 30.783 31.700 -0.762 0.000 0.773 252 H N -2.515 116.470 119.070 -0.143 0.000 2.862 252 H HA -0.241 4.318 4.556 0.004 0.000 0.290 252 H C 0.358 175.674 175.328 -0.019 0.000 1.211 252 H CA 0.344 56.356 56.048 -0.059 0.000 1.140 252 H CB -2.439 27.291 29.762 -0.054 0.000 1.341 252 H HN 0.604 nan 8.280 nan 0.000 0.392 253 H N 1.866 120.901 119.070 -0.059 0.000 2.767 253 H HA 0.147 4.706 4.556 0.005 0.000 0.316 253 H C -0.137 175.249 175.328 0.096 0.000 1.059 253 H CA -0.448 55.586 56.048 -0.023 0.000 1.461 253 H CB 0.632 30.315 29.762 -0.132 0.000 1.475 253 H HN 0.250 nan 8.280 nan 0.000 0.531 254 D N 4.207 124.442 120.400 -0.275 0.000 2.210 254 D HA 0.402 5.045 4.640 0.005 0.000 0.249 254 D C 1.010 177.261 176.300 -0.081 0.000 1.078 254 D CA 0.688 54.644 54.000 -0.074 0.000 0.875 254 D CB 1.452 42.217 40.800 -0.058 0.000 1.175 254 D HN 0.970 nan 8.370 nan 0.000 0.440 255 G N 0.967 109.895 108.800 0.214 0.000 2.693 255 G HA2 0.072 4.034 3.960 0.005 0.000 0.226 255 G HA3 0.072 4.034 3.960 0.005 0.000 0.226 255 G C -0.009 175.163 174.900 0.454 0.000 1.354 255 G CA -0.370 44.870 45.100 0.235 0.000 0.873 255 G HN 0.847 nan 8.290 nan 0.000 0.562 256 A N -0.895 122.132 122.820 0.345 0.000 2.565 256 A HA 0.455 4.778 4.320 0.005 0.000 0.237 256 A C 0.446 178.367 177.584 0.561 0.000 1.053 256 A CA 1.109 53.384 52.037 0.397 0.000 0.755 256 A CB 0.513 19.672 19.000 0.265 0.000 0.980 256 A HN 2.157 nan 8.150 nan 0.000 0.506 257 L N 3.619 125.160 121.223 0.529 0.000 2.272 257 L HA 0.357 4.700 4.340 0.005 0.000 0.284 257 L C -0.513 176.508 176.870 0.252 0.000 1.045 257 L CA -0.406 54.619 54.840 0.308 0.000 0.842 257 L CB 0.301 42.496 42.059 0.227 0.000 1.224 257 L HN 0.644 nan 8.230 nan 0.000 0.430 258 N N 5.631 124.467 118.700 0.227 0.000 2.525 258 N HA 0.323 5.066 4.740 0.005 0.000 0.271 258 N C -2.502 173.110 175.510 0.170 0.000 1.194 258 N CA -1.756 51.427 53.050 0.221 0.000 0.964 258 N CB 0.441 39.072 38.487 0.241 0.000 1.126 258 N HN 0.374 nan 8.380 nan 0.000 0.452 259 P HA 0.061 nan 4.420 nan 0.000 0.261 259 P C -0.524 176.898 177.300 0.203 0.000 1.183 259 P CA 0.755 63.965 63.100 0.183 0.000 0.761 259 P CB 0.528 32.338 31.700 0.183 0.000 0.785 260 D N 0.773 121.133 120.400 -0.067 0.000 2.665 260 D HA 0.065 4.708 4.640 0.005 0.000 0.287 260 D C 0.671 176.775 176.300 -0.328 0.000 1.266 260 D CA -0.435 53.454 54.000 -0.185 0.000 0.830 260 D CB 0.517 41.056 40.800 -0.435 0.000 1.356 260 D HN 0.263 nan 8.370 nan 0.000 0.437 261 Y N 0.354 120.588 120.300 -0.109 0.000 2.256 261 Y HA -0.172 4.382 4.550 0.005 0.000 0.288 261 Y C 1.593 177.494 175.900 0.002 0.000 1.155 261 Y CA 1.320 59.417 58.100 -0.006 0.000 1.203 261 Y CB -1.201 37.316 38.460 0.096 0.000 0.980 261 Y HN 0.391 nan 8.280 nan 0.000 0.530 262 Y N 0.363 120.600 120.300 -0.106 0.000 2.477 262 Y HA 0.430 4.982 4.550 0.004 0.000 0.303 262 Y C -0.222 175.660 175.900 -0.030 0.000 1.202 262 Y CA -1.633 56.463 58.100 -0.007 0.000 1.282 262 Y CB -0.975 37.449 38.460 -0.060 0.000 1.071 262 Y HN 0.039 nan 8.280 nan 0.000 0.510 263 I N 5.102 125.564 120.570 -0.181 0.000 2.339 263 I HA 0.298 4.471 4.170 0.005 0.000 0.290 263 I C -2.275 173.788 176.117 -0.090 0.000 0.994 263 I CA -2.444 58.786 61.300 -0.116 0.000 1.191 263 I CB 1.534 39.434 38.000 -0.167 0.000 1.343 263 I HN -0.086 nan 8.210 nan 0.000 0.458 264 P HA 0.136 nan 4.420 nan 0.000 0.269 264 P C -0.648 176.572 177.300 -0.132 0.000 1.209 264 P CA -0.112 62.925 63.100 -0.106 0.000 0.776 264 P CB 1.213 32.837 31.700 -0.126 0.000 0.876 265 M N 1.545 121.074 119.600 -0.119 0.000 2.517 265 M HA 0.232 4.715 4.480 0.005 0.000 0.248 265 M C 1.461 177.650 176.300 -0.185 0.000 0.923 265 M CA -0.410 54.764 55.300 -0.209 0.000 1.314 265 M CB -0.527 31.998 32.600 -0.125 0.000 1.392 265 M HN 0.271 nan 8.290 nan 0.000 0.711 266 Y N -1.334 118.985 120.300 0.031 0.000 2.490 266 Y HA 0.042 4.594 4.550 0.005 0.000 0.285 266 Y C 0.330 176.294 175.900 0.106 0.000 1.117 266 Y CA 0.374 58.494 58.100 0.032 0.000 1.262 266 Y CB 0.060 38.490 38.460 -0.049 0.000 1.043 266 Y HN 0.326 nan 8.280 nan 0.000 0.553 267 Y N 0.646 121.002 120.300 0.093 0.000 2.393 267 Y HA 0.691 5.243 4.550 0.005 0.000 0.341 267 Y C -0.511 175.420 175.900 0.052 0.000 0.988 267 Y CA -2.635 55.502 58.100 0.060 0.000 1.078 267 Y CB 1.127 39.604 38.460 0.028 0.000 1.203 267 Y HN -0.121 nan 8.280 nan 0.000 0.453 268 A N 4.800 127.442 122.820 -0.296 0.000 2.506 268 A HA 0.676 4.999 4.320 0.005 0.000 0.320 268 A C -0.432 176.924 177.584 -0.380 0.000 1.424 268 A CA 0.010 51.941 52.037 -0.176 0.000 1.044 268 A CB -0.920 18.139 19.000 0.098 0.000 1.140 268 A HN 0.973 nan 8.150 nan 0.000 0.538 269 A N 5.037 127.721 122.820 -0.227 0.000 2.923 269 A HA 0.626 4.949 4.320 0.005 0.000 0.343 269 A C -2.576 175.044 177.584 0.059 0.000 1.199 269 A CA -1.427 50.535 52.037 -0.125 0.000 0.878 269 A CB 0.209 19.209 19.000 0.001 0.000 1.104 269 A HN 0.518 nan 8.150 nan 0.000 0.483 270 P HA 0.090 nan 4.420 nan 0.000 0.256 270 P C -0.695 176.756 177.300 0.251 0.000 1.688 270 P CA 0.415 63.558 63.100 0.072 0.000 1.162 270 P CB -0.482 31.226 31.700 0.013 0.000 1.870 271 W N 5.553 126.832 121.300 -0.035 0.000 3.827 271 W HA 0.418 5.080 4.660 0.005 0.000 0.307 271 W C -2.766 173.748 176.519 -0.009 0.000 1.204 271 W CA -0.694 56.653 57.345 0.002 0.000 1.250 271 W CB 1.161 30.642 29.460 0.036 0.000 1.281 271 W HN -0.037 nan 8.180 nan 0.000 0.494 272 L N 6.426 127.218 121.223 -0.718 0.000 2.409 272 L HA 0.578 4.921 4.340 0.005 0.000 0.262 272 L C -0.208 176.185 176.870 -0.795 0.000 0.992 272 L CA -1.142 53.371 54.840 -0.544 0.000 0.817 272 L CB 2.658 44.653 42.059 -0.106 0.000 1.350 272 L HN 0.267 nan 8.230 nan 0.000 0.411 273 I N 2.940 123.230 120.570 -0.465 0.000 2.355 273 I HA 0.325 4.498 4.170 0.005 0.000 0.288 273 I C -0.447 175.505 176.117 -0.275 0.000 0.999 273 I CA -0.771 60.292 61.300 -0.394 0.000 1.163 273 I CB 1.783 39.655 38.000 -0.213 0.000 1.316 273 I HN 0.175 nan 8.210 nan 0.000 0.454 274 V N 5.419 125.015 119.914 -0.530 0.000 2.465 274 V HA 0.340 4.463 4.120 0.005 0.000 0.279 274 V C -0.049 175.780 176.094 -0.442 0.000 1.045 274 V CA -0.455 61.439 62.300 -0.678 0.000 0.938 274 V CB 1.333 32.521 31.823 -1.058 0.000 0.986 274 V HN 0.794 nan 8.190 nan 0.000 0.467 275 N N 3.107 121.583 118.700 -0.373 0.000 2.533 275 N HA 0.598 5.341 4.740 0.005 0.000 0.289 275 N C -0.375 174.874 175.510 -0.435 0.000 1.103 275 N CA -0.067 52.775 53.050 -0.348 0.000 0.877 275 N CB 1.867 40.244 38.487 -0.183 0.000 1.419 275 N HN 0.838 nan 8.380 nan 0.000 0.517 276 G N 0.724 109.004 108.800 -0.866 0.000 2.509 276 G HA2 0.448 4.411 3.960 0.005 0.000 0.328 276 G HA3 0.448 4.411 3.960 0.005 0.000 0.328 276 G C 0.024 174.661 174.900 -0.439 0.000 1.194 276 G CA -0.555 44.136 45.100 -0.682 0.000 0.967 276 G HN 0.917 nan 8.290 nan 0.000 0.488 277 C N -0.457 118.766 119.300 -0.127 0.000 4.235 277 C HA -0.076 4.387 4.460 0.005 0.000 0.301 277 C C 1.623 176.582 174.990 -0.051 0.000 1.409 277 C CA -0.505 58.498 59.018 -0.025 0.000 2.024 277 C CB -2.906 24.883 27.740 0.081 0.000 1.286 277 C HN 1.360 nan 8.230 nan 0.000 0.746 278 A N -0.082 122.695 122.820 -0.071 0.000 2.561 278 A HA 0.409 4.732 4.320 0.005 0.000 0.234 278 A C 1.587 179.157 177.584 -0.023 0.000 1.055 278 A CA 1.398 53.404 52.037 -0.053 0.000 0.756 278 A CB -0.165 18.815 19.000 -0.033 0.000 0.986 278 A HN 2.493 nan 8.150 nan 0.000 0.505 279 G N 1.574 110.365 108.800 -0.015 0.000 2.203 279 G HA2 -0.128 3.835 3.960 0.005 0.000 0.263 279 G HA3 -0.128 3.835 3.960 0.005 0.000 0.263 279 G C 0.462 175.362 174.900 0.001 0.000 1.012 279 G CA 1.492 46.593 45.100 0.002 0.000 0.749 279 G HN 2.323 nan 8.290 nan 0.000 0.512 280 T N -3.787 110.766 114.554 -0.002 0.000 2.910 280 T HA 0.724 5.077 4.350 0.005 0.000 0.287 280 T C 1.714 176.414 174.700 0.001 0.000 1.050 280 T CA 0.719 62.820 62.100 0.002 0.000 1.011 280 T CB 1.404 70.276 68.868 0.007 0.000 1.195 280 T HN 1.075 nan 8.240 nan 0.000 0.540 281 S N 0.011 115.711 115.700 -0.000 0.000 2.402 281 S HA -0.198 4.275 4.470 0.005 0.000 0.233 281 S C 1.306 175.910 174.600 0.006 0.000 1.030 281 S CA 1.440 59.638 58.200 -0.003 0.000 1.003 281 S CB -0.819 62.377 63.200 -0.007 0.000 0.813 281 S HN 0.950 nan 8.310 nan 0.000 0.477 282 E N 0.858 121.070 120.200 0.019 0.000 2.451 282 E HA 0.167 4.520 4.350 0.005 0.000 0.194 282 E C 0.396 177.058 176.600 0.103 0.000 1.027 282 E CA -0.539 55.886 56.400 0.041 0.000 0.914 282 E CB -0.180 29.536 29.700 0.026 0.000 1.054 282 E HN 0.636 nan 8.360 nan 0.000 0.461 283 Q N 1.381 121.220 119.800 0.066 0.000 2.304 283 Q HA -0.040 4.303 4.340 0.005 0.000 0.301 283 Q C -1.238 174.832 176.000 0.115 0.000 1.063 283 Q CA 0.441 56.272 55.803 0.047 0.000 0.947 283 Q CB 0.263 28.994 28.738 -0.012 0.000 1.201 283 Q HN 0.423 nan 8.270 nan 0.000 0.389 284 Y N -0.257 120.047 120.300 0.006 0.000 2.504 284 Y HA 0.707 5.260 4.550 0.005 0.000 0.344 284 Y C -1.390 174.558 175.900 0.080 0.000 1.023 284 Y CA -0.960 57.163 58.100 0.038 0.000 1.020 284 Y CB 1.559 40.032 38.460 0.022 0.000 1.282 284 Y HN 0.406 nan 8.280 nan 0.000 0.454 285 S N 2.379 118.207 115.700 0.213 0.000 2.569 285 S HA 0.775 5.248 4.470 0.005 0.000 0.280 285 S C -2.028 172.815 174.600 0.405 0.000 1.111 285 S CA -0.832 57.452 58.200 0.141 0.000 0.887 285 S CB 1.751 64.977 63.200 0.044 0.000 1.095 285 S HN 0.983 nan 8.310 nan 0.000 0.476 286 Y N -1.403 118.967 120.300 0.117 0.000 2.409 286 Y HA 0.646 5.199 4.550 0.005 0.000 0.321 286 Y C -0.446 175.385 175.900 -0.116 0.000 1.209 286 Y CA -1.123 57.023 58.100 0.076 0.000 1.086 286 Y CB 0.126 38.800 38.460 0.357 0.000 1.320 286 Y HN 0.732 nan 8.280 nan 0.000 0.440 287 G N 2.171 110.858 108.800 -0.188 0.000 2.448 287 G HA2 0.406 4.369 3.960 0.005 0.000 0.285 287 G HA3 0.406 4.369 3.960 0.005 0.000 0.285 287 G C -2.072 172.663 174.900 -0.275 0.000 1.176 287 G CA -0.521 44.260 45.100 -0.532 0.000 0.852 287 G HN 0.763 nan 8.290 nan 0.000 0.530 288 W N 2.293 123.191 121.300 -0.670 0.000 2.900 288 W HA 0.638 5.301 4.660 0.005 0.000 0.336 288 W C -2.390 174.073 176.519 -0.094 0.000 1.064 288 W CA -2.414 54.762 57.345 -0.283 0.000 1.237 288 W CB 1.689 31.070 29.460 -0.131 0.000 1.391 288 W HN 0.264 nan 8.180 nan 0.000 0.468 289 F N 8.269 128.331 119.950 0.186 0.000 2.577 289 F HA 0.432 4.962 4.527 0.005 0.000 0.344 289 F C -0.924 174.907 175.800 0.051 0.000 1.145 289 F CA -1.324 56.785 58.000 0.182 0.000 0.996 289 F CB 1.244 40.375 39.000 0.218 0.000 1.248 289 F HN 0.220 nan 8.300 nan 0.000 0.447 290 M N 6.209 125.497 119.600 -0.520 0.000 2.589 290 M HA 0.236 4.719 4.480 0.005 0.000 0.340 290 M C -0.370 175.399 176.300 -0.886 0.000 1.308 290 M CA -0.305 54.614 55.300 -0.634 0.000 1.332 290 M CB -0.190 32.123 32.600 -0.478 0.000 1.219 290 M HN 0.490 nan 8.290 nan 0.000 0.467 291 D N 4.420 124.022 120.400 -1.330 0.000 2.383 291 D HA -0.020 4.623 4.640 0.005 0.000 0.275 291 D C -1.171 174.947 176.300 -0.304 0.000 1.344 291 D CA 0.984 54.467 54.000 -0.863 0.000 0.984 291 D CB 0.128 40.697 40.800 -0.385 0.000 1.104 291 D HN 0.687 nan 8.370 nan 0.000 0.524 292 N N 3.236 121.841 118.700 -0.158 0.000 2.666 292 N HA -0.021 4.722 4.740 0.005 0.000 0.260 292 N C 0.062 175.442 175.510 -0.216 0.000 1.077 292 N CA -0.486 52.453 53.050 -0.185 0.000 1.026 292 N CB 1.331 39.705 38.487 -0.188 0.000 1.653 292 N HN 0.005 nan 8.380 nan 0.000 0.533 293 V N 0.710 120.433 119.914 -0.318 0.000 3.621 293 V HA 0.273 4.396 4.120 0.005 0.000 0.285 293 V C 1.290 177.246 176.094 -0.230 0.000 1.346 293 V CA 0.531 62.578 62.300 -0.421 0.000 1.104 293 V CB -0.483 30.997 31.823 -0.572 0.000 0.913 293 V HN 0.615 nan 8.190 nan 0.000 0.432 294 S N 0.456 116.082 115.700 -0.123 0.000 2.617 294 S HA 0.168 4.641 4.470 0.005 0.000 0.259 294 S C 0.262 174.834 174.600 -0.046 0.000 1.301 294 S CA -0.163 58.024 58.200 -0.021 0.000 0.984 294 S CB 0.554 63.828 63.200 0.122 0.000 0.954 294 S HN 0.678 nan 8.310 nan 0.000 0.572 295 Q N 1.150 120.953 119.800 0.005 0.000 2.255 295 Q HA 0.217 4.560 4.340 0.005 0.000 0.280 295 Q C -0.386 175.412 176.000 -0.337 0.000 1.068 295 Q CA -0.241 55.502 55.803 -0.100 0.000 0.911 295 Q CB 0.181 28.915 28.738 -0.007 0.000 1.157 295 Q HN 0.785 nan 8.270 nan 0.000 0.380 296 S N 3.554 119.005 115.700 -0.415 0.000 2.718 296 S HA 0.659 5.132 4.470 0.005 0.000 0.300 296 S C -1.086 173.046 174.600 -0.781 0.000 1.117 296 S CA -0.685 57.253 58.200 -0.438 0.000 1.002 296 S CB 0.869 63.934 63.200 -0.225 0.000 1.092 296 S HN 0.569 nan 8.310 nan 0.000 0.542 297 Y N -0.693 119.411 120.300 -0.326 0.000 2.553 297 Y HA 0.655 5.208 4.550 0.005 0.000 0.347 297 Y C -0.404 175.384 175.900 -0.186 0.000 1.019 297 Y CA -1.196 56.735 58.100 -0.281 0.000 1.032 297 Y CB 2.129 40.344 38.460 -0.408 0.000 1.284 297 Y HN 0.531 nan 8.280 nan 0.000 0.466 298 M N 2.784 122.359 119.600 -0.041 0.000 2.098 298 M HA 0.273 4.756 4.480 0.005 0.000 0.265 298 M C -1.318 174.778 176.300 -0.340 0.000 0.940 298 M CA -0.388 54.778 55.300 -0.223 0.000 1.007 298 M CB 1.444 33.909 32.600 -0.224 0.000 1.823 298 M HN 0.468 nan 8.290 nan 0.000 0.453 299 N N 2.120 120.390 118.700 -0.717 0.000 2.469 299 N HA 0.309 5.052 4.740 0.005 0.000 0.253 299 N C -0.050 175.029 175.510 -0.719 0.000 0.970 299 N CA -0.035 52.509 53.050 -0.844 0.000 0.940 299 N CB 1.401 38.949 38.487 -1.564 0.000 1.128 299 N HN 0.717 nan 8.380 nan 0.000 0.503 300 T N 0.017 114.233 114.554 -0.563 0.000 3.264 300 T HA 0.379 4.732 4.350 0.005 0.000 0.257 300 T C 0.878 175.288 174.700 -0.483 0.000 0.976 300 T CA -0.045 61.614 62.100 -0.735 0.000 0.908 300 T CB -0.319 68.035 68.868 -0.857 0.000 1.082 300 T HN 0.561 nan 8.240 nan 0.000 0.567 301 G N 0.737 109.349 108.800 -0.314 0.000 2.186 301 G HA2 -0.122 3.841 3.960 0.005 0.000 0.130 301 G HA3 -0.122 3.841 3.960 0.005 0.000 0.130 301 G C -0.617 174.215 174.900 -0.115 0.000 1.031 301 G CA -0.528 44.475 45.100 -0.162 0.000 0.697 301 G HN 0.578 nan 8.290 nan 0.000 0.494 302 D N 0.647 120.981 120.400 -0.110 0.000 2.249 302 D HA 0.569 5.212 4.640 0.005 0.000 0.246 302 D C 1.749 178.068 176.300 0.031 0.000 1.114 302 D CA 0.507 54.486 54.000 -0.036 0.000 0.854 302 D CB 1.276 42.084 40.800 0.014 0.000 1.132 302 D HN 0.203 nan 8.370 nan 0.000 0.461 303 T N -0.616 113.949 114.554 0.018 0.000 3.086 303 T HA 0.072 4.425 4.350 0.005 0.000 0.250 303 T C 0.627 175.338 174.700 0.019 0.000 1.074 303 T CA -0.180 61.934 62.100 0.023 0.000 0.988 303 T CB -0.229 68.636 68.868 -0.005 0.000 0.988 303 T HN 0.252 nan 8.240 nan 0.000 0.530 304 T N 2.551 117.108 114.554 0.005 0.000 2.916 304 T HA 0.089 4.442 4.350 0.005 0.000 0.303 304 T C 0.115 174.870 174.700 0.091 0.000 1.025 304 T CA -0.167 61.818 62.100 -0.192 0.000 1.142 304 T CB -0.099 68.492 68.868 -0.462 0.000 0.947 304 T HN 0.558 nan 8.240 nan 0.000 0.544 305 W N 1.030 122.381 121.300 0.084 0.000 2.902 305 W HA -0.298 4.364 4.660 0.004 0.000 0.278 305 W C 0.582 177.146 176.519 0.075 0.000 1.066 305 W CA 0.535 57.937 57.345 0.095 0.000 0.570 305 W CB -2.704 26.867 29.460 0.185 0.000 2.092 305 W HN 1.038 nan 8.180 nan 0.000 1.423 306 N N -0.926 117.888 118.700 0.190 0.000 2.738 306 N HA -0.226 4.517 4.740 0.005 0.000 0.249 306 N C 0.816 176.409 175.510 0.138 0.000 1.047 306 N CA 1.128 54.251 53.050 0.122 0.000 0.707 306 N CB -0.935 37.597 38.487 0.075 0.000 0.937 306 N HN 0.350 nan 8.380 nan 0.000 0.545 307 S N -2.440 113.385 115.700 0.207 0.000 2.439 307 S HA 0.367 4.840 4.470 0.005 0.000 0.224 307 S C 1.132 175.872 174.600 0.232 0.000 1.029 307 S CA 0.592 58.922 58.200 0.216 0.000 0.946 307 S CB 0.905 64.294 63.200 0.314 0.000 0.797 307 S HN 0.624 nan 8.310 nan 0.000 0.504 308 G N -0.401 108.510 108.800 0.185 0.000 2.753 308 G HA2 0.636 4.599 3.960 0.005 0.000 0.303 308 G HA3 0.636 4.599 3.960 0.005 0.000 0.303 308 G C -2.085 172.860 174.900 0.074 0.000 1.242 308 G CA -0.818 44.392 45.100 0.183 0.000 0.810 308 G HN 0.243 nan 8.290 nan 0.000 0.515 309 Q N -0.780 119.050 119.800 0.050 0.000 2.389 309 Q HA 0.329 4.671 4.340 0.005 0.000 0.277 309 Q C 0.135 176.130 176.000 -0.008 0.000 1.082 309 Q CA -0.636 55.175 55.803 0.013 0.000 0.810 309 Q CB 3.112 31.854 28.738 0.008 0.000 1.374 309 Q HN 0.645 nan 8.270 nan 0.000 0.422 310 E N 0.591 120.783 120.200 -0.013 0.000 2.331 310 E HA -0.178 4.175 4.350 0.005 0.000 0.199 310 E C -0.007 176.585 176.600 -0.013 0.000 1.008 310 E CA 0.867 57.257 56.400 -0.017 0.000 0.843 310 E CB 0.280 29.975 29.700 -0.008 0.000 0.761 310 E HN 0.467 nan 8.360 nan 0.000 0.507 311 D N -0.215 120.173 120.400 -0.021 0.000 2.363 311 D HA 0.151 4.793 4.640 0.005 0.000 0.214 311 D C -0.039 176.228 176.300 -0.055 0.000 1.093 311 D CA 0.266 54.237 54.000 -0.049 0.000 0.837 311 D CB 0.619 41.382 40.800 -0.061 0.000 0.948 311 D HN 0.072 nan 8.370 nan 0.000 0.507 312 L N 0.333 121.549 121.223 -0.011 0.000 2.370 312 L HA 0.712 5.055 4.340 0.005 0.000 0.266 312 L C -0.526 176.360 176.870 0.027 0.000 1.002 312 L CA -1.021 53.842 54.840 0.038 0.000 0.818 312 L CB 2.343 44.450 42.059 0.080 0.000 1.325 312 L HN -0.244 nan 8.230 nan 0.000 0.418 313 A N 2.071 124.955 122.820 0.106 0.000 2.371 313 A HA 0.862 5.185 4.320 0.005 0.000 0.311 313 A C -1.540 176.225 177.584 0.302 0.000 1.068 313 A CA -0.381 51.667 52.037 0.018 0.000 0.744 313 A CB 1.374 20.398 19.000 0.039 0.000 1.239 313 A HN 0.664 nan 8.150 nan 0.000 0.435 314 Y N -0.729 119.637 120.300 0.111 0.000 2.689 314 Y HA 0.881 5.434 4.550 0.005 0.000 0.333 314 Y C -0.964 174.836 175.900 -0.167 0.000 1.190 314 Y CA -1.846 56.340 58.100 0.144 0.000 1.063 314 Y CB 1.227 39.758 38.460 0.118 0.000 1.294 314 Y HN 0.584 nan 8.280 nan 0.000 0.466 315 M N 0.864 120.571 119.600 0.177 0.000 2.575 315 M HA 0.760 5.243 4.480 0.005 0.000 0.284 315 M C -0.629 175.825 176.300 0.257 0.000 1.253 315 M CA -0.637 54.653 55.300 -0.016 0.000 0.861 315 M CB 2.991 35.239 32.600 -0.588 0.000 1.733 315 M HN 1.139 nan 8.290 nan 0.000 0.462 316 G N 0.559 109.491 108.800 0.219 0.000 2.606 316 G HA2 0.878 4.841 3.960 0.005 0.000 0.300 316 G HA3 0.878 4.841 3.960 0.005 0.000 0.300 316 G C -2.434 172.525 174.900 0.099 0.000 1.360 316 G CA -0.355 44.934 45.100 0.315 0.000 0.783 316 G HN 0.934 nan 8.290 nan 0.000 0.484 317 A N -1.084 121.828 122.820 0.154 0.000 2.587 317 A HA 0.687 5.010 4.320 0.005 0.000 0.293 317 A C 0.386 178.037 177.584 0.112 0.000 1.087 317 A CA -0.315 51.750 52.037 0.047 0.000 0.692 317 A CB 1.693 20.697 19.000 0.006 0.000 1.291 317 A HN 0.408 nan 8.150 nan 0.000 0.407 318 Q N -0.542 119.298 119.800 0.067 0.000 2.224 318 Q HA 0.023 4.366 4.340 0.005 0.000 0.203 318 Q C -0.691 175.079 176.000 -0.383 0.000 0.970 318 Q CA 1.634 57.406 55.803 -0.052 0.000 0.865 318 Q CB -0.164 28.591 28.738 0.029 0.000 0.922 318 Q HN 0.653 nan 8.270 nan 0.000 0.445 319 Y N -1.678 118.645 120.300 0.037 0.000 2.605 319 Y HA 0.554 5.107 4.550 0.005 0.000 0.343 319 Y C 0.808 176.696 175.900 -0.019 0.000 1.036 319 Y CA -0.919 57.187 58.100 0.010 0.000 1.065 319 Y CB 1.329 39.804 38.460 0.025 0.000 1.288 319 Y HN -0.087 nan 8.280 nan 0.000 0.481 320 G N 1.230 110.106 108.800 0.126 0.000 2.588 320 G HA2 0.515 4.478 3.960 0.005 0.000 0.281 320 G HA3 0.515 4.478 3.960 0.005 0.000 0.281 320 G C -2.583 172.333 174.900 0.026 0.000 1.236 320 G CA -1.136 43.967 45.100 0.006 0.000 0.969 320 G HN 0.356 nan 8.290 nan 0.000 0.504 321 P HA 0.329 nan 4.420 nan 0.000 0.284 321 P C -1.287 175.942 177.300 -0.117 0.000 1.292 321 P CA -0.774 62.270 63.100 -0.093 0.000 0.800 321 P CB 1.059 32.725 31.700 -0.057 0.000 1.188 322 F N 1.021 120.729 119.950 -0.404 0.000 2.390 322 F HA 0.319 4.849 4.527 0.005 0.000 0.361 322 F C -0.235 175.444 175.800 -0.202 0.000 1.124 322 F CA 0.083 57.842 58.000 -0.401 0.000 1.149 322 F CB 0.244 38.655 39.000 -0.981 0.000 1.160 322 F HN 0.077 nan 8.300 nan 0.000 0.501 323 D N 5.571 125.880 120.400 -0.151 0.000 2.375 323 D HA 0.161 4.804 4.640 0.005 0.000 0.241 323 D C -1.418 174.827 176.300 -0.091 0.000 1.361 323 D CA -0.231 53.776 54.000 0.011 0.000 0.995 323 D CB 1.124 41.949 40.800 0.042 0.000 1.312 323 D HN 0.650 nan 8.370 nan 0.000 0.576 324 Q N 2.671 122.460 119.800 -0.017 0.000 2.375 324 Q HA 0.542 4.885 4.340 0.005 0.000 0.271 324 Q C -1.586 174.331 176.000 -0.139 0.000 1.074 324 Q CA -0.669 55.067 55.803 -0.112 0.000 0.808 324 Q CB 1.472 30.152 28.738 -0.096 0.000 1.327 324 Q HN 0.418 nan 8.270 nan 0.000 0.441 325 H N 2.121 121.064 119.070 -0.212 0.000 2.589 325 H HA 0.486 5.045 4.556 0.005 0.000 0.351 325 H C -1.505 173.602 175.328 -0.369 0.000 1.074 325 H CA -0.330 55.663 56.048 -0.091 0.000 1.203 325 H CB 1.114 31.043 29.762 0.279 0.000 1.558 325 H HN 0.490 nan 8.280 nan 0.000 0.522 326 F N 2.315 122.200 119.950 -0.109 0.000 2.403 326 F HA 0.425 4.955 4.527 0.005 0.000 0.355 326 F C -0.504 174.993 175.800 -0.504 0.000 1.119 326 F CA -0.819 56.948 58.000 -0.389 0.000 1.007 326 F CB 1.237 39.825 39.000 -0.688 0.000 1.194 326 F HN 0.188 nan 8.300 nan 0.000 0.443 327 V N 4.790 124.514 119.914 -0.317 0.000 2.357 327 V HA 0.210 4.333 4.120 0.005 0.000 0.284 327 V C -0.500 175.444 176.094 -0.250 0.000 1.018 327 V CA -0.480 61.740 62.300 -0.134 0.000 0.841 327 V CB 1.047 32.940 31.823 0.116 0.000 0.991 327 V HN 0.738 nan 8.190 nan 0.000 0.437 328 Y N 2.619 123.075 120.300 0.260 0.000 2.444 328 Y HA 0.559 5.112 4.550 0.005 0.000 0.252 328 Y C 1.462 177.473 175.900 0.185 0.000 1.091 328 Y CA 0.225 58.463 58.100 0.231 0.000 1.276 328 Y CB 0.309 38.883 38.460 0.191 0.000 1.170 328 Y HN 0.824 nan 8.280 nan 0.000 0.517 329 G N 0.749 109.724 108.800 0.293 0.000 2.829 329 G HA2 0.016 3.979 3.960 0.005 0.000 0.628 329 G HA3 0.016 3.979 3.960 0.005 0.000 0.628 329 G C 0.475 175.482 174.900 0.177 0.000 1.412 329 G CA -0.195 45.036 45.100 0.219 0.000 0.864 329 G HN 0.596 nan 8.290 nan 0.000 0.544 330 A N -0.335 122.568 122.820 0.139 0.000 2.127 330 A HA 0.752 5.075 4.320 0.005 0.000 0.204 330 A C 1.711 179.340 177.584 0.075 0.000 1.243 330 A CA 1.579 53.678 52.037 0.103 0.000 0.887 330 A CB -0.148 18.915 19.000 0.104 0.000 0.933 330 A HN 2.324 nan 8.150 nan 0.000 0.479 331 G N -0.600 108.246 108.800 0.076 0.000 2.510 331 G HA2 0.476 4.439 3.960 0.005 0.000 0.280 331 G HA3 0.476 4.439 3.960 0.005 0.000 0.280 331 G C 0.291 175.225 174.900 0.057 0.000 1.386 331 G CA -0.007 45.124 45.100 0.052 0.000 1.047 331 G HN 0.710 nan 8.290 nan 0.000 0.527 332 G N -2.625 106.196 108.800 0.035 0.000 2.454 332 G HA2 0.710 4.673 3.960 0.005 0.000 0.329 332 G HA3 0.710 4.673 3.960 0.005 0.000 0.329 332 G C 0.129 175.044 174.900 0.024 0.000 1.177 332 G CA 0.348 45.470 45.100 0.036 0.000 0.951 332 G HN 1.912 nan 8.290 nan 0.000 0.485 333 G N -0.345 108.471 108.800 0.026 0.000 2.699 333 G HA2 -0.089 3.874 3.960 0.005 0.000 0.686 333 G HA3 -0.089 3.874 3.960 0.005 0.000 0.686 333 G C 0.841 175.754 174.900 0.021 0.000 1.301 333 G CA 0.213 45.314 45.100 0.001 0.000 0.816 333 G HN 0.749 nan 8.290 nan 0.000 0.595 334 M N 0.123 119.715 119.600 -0.013 0.000 2.080 334 M HA -0.025 4.458 4.480 0.005 0.000 0.260 334 M C 1.716 178.049 176.300 0.056 0.000 1.068 334 M CA 2.087 57.377 55.300 -0.016 0.000 1.109 334 M CB -0.275 32.256 32.600 -0.115 0.000 1.342 334 M HN 0.761 nan 8.290 nan 0.000 0.405 338 V N 1.466 121.537 119.914 0.261 0.000 2.307 338 V HA -0.223 3.900 4.120 0.005 0.000 0.245 338 V C 2.830 179.026 176.094 0.170 0.000 1.045 338 V CA 3.061 65.509 62.300 0.246 0.000 1.024 338 V CB -1.305 30.620 31.823 0.170 0.000 0.651 338 V HN 0.784 nan 8.190 nan 0.000 0.449 339 T N -0.707 113.933 114.554 0.143 0.000 2.821 339 T HA -0.092 4.261 4.350 0.005 0.000 0.267 339 T C 1.938 176.720 174.700 0.136 0.000 1.046 339 T CA 1.514 63.682 62.100 0.114 0.000 1.139 339 T CB -0.441 68.498 68.868 0.118 0.000 0.871 339 T HN 0.486 nan 8.240 nan 0.000 0.454 340 A N 1.208 124.138 122.820 0.184 0.000 1.877 340 A HA 0.077 4.400 4.320 0.005 0.000 0.216 340 A C 2.069 179.802 177.584 0.248 0.000 1.186 340 A CA 1.458 53.624 52.037 0.215 0.000 0.620 340 A CB -1.261 17.881 19.000 0.237 0.000 0.822 340 A HN 0.466 nan 8.150 nan 0.000 0.443 341 F N 1.992 121.969 119.950 0.045 0.000 2.126 341 F HA -0.196 4.334 4.527 0.005 0.000 0.299 341 F C 2.843 178.538 175.800 -0.175 0.000 1.096 341 F CA 1.514 59.453 58.000 -0.102 0.000 1.255 341 F CB -0.730 38.101 39.000 -0.281 0.000 0.997 341 F HN 0.357 nan 8.300 nan 0.000 0.479 342 S N 0.061 115.687 115.700 -0.123 0.000 2.382 342 S HA -0.209 4.263 4.470 0.005 0.000 0.228 342 S C 2.140 176.661 174.600 -0.132 0.000 1.027 342 S CA 1.227 59.283 58.200 -0.240 0.000 0.991 342 S CB -1.128 61.978 63.200 -0.157 0.000 0.823 342 S HN 0.457 nan 8.310 nan 0.000 0.469 343 L N 0.916 122.133 121.223 -0.009 0.000 2.141 343 L HA 0.165 4.508 4.340 0.005 0.000 0.209 343 L C 2.227 179.126 176.870 0.048 0.000 1.094 343 L CA 1.370 56.239 54.840 0.049 0.000 0.763 343 L CB -0.374 41.767 42.059 0.137 0.000 0.908 343 L HN 0.350 nan 8.230 nan 0.000 0.437 344 L N -0.857 120.390 121.223 0.039 0.000 2.141 344 L HA -0.147 4.196 4.340 0.005 0.000 0.209 344 L C 1.959 178.787 176.870 -0.069 0.000 1.094 344 L CA 0.976 55.844 54.840 0.047 0.000 0.763 344 L CB -0.506 41.620 42.059 0.111 0.000 0.908 344 L HN 0.330 nan 8.230 nan 0.000 0.437 345 Q N 0.377 120.051 119.800 -0.209 0.000 2.282 345 Q HA 0.163 4.506 4.340 0.005 0.000 0.205 345 Q C 0.974 176.944 176.000 -0.051 0.000 0.915 345 Q CA -0.218 55.465 55.803 -0.201 0.000 0.949 345 Q CB 0.262 28.769 28.738 -0.385 0.000 1.035 345 Q HN 0.425 nan 8.270 nan 0.000 0.484 346 G N 0.573 109.349 108.800 -0.041 0.000 2.651 346 G HA2 0.099 4.062 3.960 0.005 0.000 0.260 346 G HA3 0.099 4.062 3.960 0.005 0.000 0.260 346 G C 0.495 175.343 174.900 -0.088 0.000 1.216 346 G CA -0.355 44.722 45.100 -0.038 0.000 0.913 346 G HN 0.038 nan 8.290 nan 0.000 0.535 347 K N -0.542 119.757 120.400 -0.169 0.000 2.536 347 K HA 0.136 4.458 4.320 0.005 0.000 0.203 347 K C 1.419 177.773 176.600 -0.410 0.000 1.063 347 K CA -0.119 55.985 56.287 -0.304 0.000 1.063 347 K CB 1.031 33.313 32.500 -0.363 0.000 0.843 347 K HN 0.508 nan 8.250 nan 0.000 0.521 348 E N 0.405 120.340 120.200 -0.442 0.000 2.253 348 E HA -0.195 4.158 4.350 0.005 0.000 0.202 348 E C 1.131 177.198 176.600 -0.889 0.000 1.014 348 E CA 1.422 57.351 56.400 -0.785 0.000 0.823 348 E CB -0.411 28.415 29.700 -1.456 0.000 0.736 348 E HN 0.467 nan 8.360 nan 0.000 0.478 349 F N -0.846 118.674 119.950 -0.716 0.000 2.811 349 F HA 0.248 4.777 4.527 0.005 0.000 0.301 349 F C 0.774 176.471 175.800 -0.172 0.000 1.151 349 F CA 0.082 57.840 58.000 -0.404 0.000 1.412 349 F CB 0.164 39.067 39.000 -0.161 0.000 1.113 349 F HN -0.123 nan 8.300 nan 0.000 0.579 350 E N 0.227 120.013 120.200 -0.691 0.000 2.548 350 E HA 0.084 4.437 4.350 0.005 0.000 0.206 350 E C -0.262 176.184 176.600 -0.257 0.000 1.005 350 E CA -0.251 55.836 56.400 -0.521 0.000 0.951 350 E CB -0.140 29.170 29.700 -0.650 0.000 1.035 350 E HN 0.355 nan 8.360 nan 0.000 0.470 351 N N 2.591 121.171 118.700 -0.200 0.000 2.725 351 N HA -0.146 4.597 4.740 0.005 0.000 0.251 351 N C -0.712 174.744 175.510 -0.089 0.000 1.031 351 N CA 0.517 53.516 53.050 -0.086 0.000 0.720 351 N CB -0.534 37.947 38.487 -0.010 0.000 0.930 351 N HN 0.311 nan 8.380 nan 0.000 0.543 352 Q N 1.038 120.749 119.800 -0.148 0.000 2.348 352 Q HA 0.087 4.430 4.340 0.005 0.000 0.251 352 Q C 1.433 177.404 176.000 -0.049 0.000 1.113 352 Q CA 0.032 55.764 55.803 -0.118 0.000 0.902 352 Q CB 1.299 29.934 28.738 -0.171 0.000 1.333 352 Q HN 0.267 nan 8.270 nan 0.000 0.457 353 V N 4.149 124.068 119.914 0.007 0.000 2.453 353 V HA -0.255 3.868 4.120 0.005 0.000 0.252 353 V C 1.372 177.503 176.094 0.060 0.000 1.068 353 V CA 2.244 64.600 62.300 0.094 0.000 1.070 353 V CB 0.022 31.939 31.823 0.158 0.000 0.664 353 V HN 0.689 nan 8.190 nan 0.000 0.461 354 L N -1.247 119.937 121.223 -0.065 0.000 2.746 354 L HA 0.443 4.786 4.340 0.005 0.000 0.230 354 L C 0.797 177.550 176.870 -0.195 0.000 1.034 354 L CA 0.671 55.389 54.840 -0.203 0.000 0.922 354 L CB -0.057 41.787 42.059 -0.359 0.000 1.496 354 L HN 0.185 nan 8.230 nan 0.000 0.498 355 N N 1.156 119.764 118.700 -0.154 0.000 3.303 355 N HA 0.110 4.853 4.740 0.005 0.000 0.304 355 N C 0.586 176.023 175.510 -0.121 0.000 1.302 355 N CA 0.108 53.070 53.050 -0.146 0.000 1.213 355 N CB 0.537 38.959 38.487 -0.110 0.000 1.481 355 N HN 0.386 nan 8.380 nan 0.000 0.546 356 K N 0.283 120.599 120.400 -0.140 0.000 2.062 356 K HA 0.090 4.412 4.320 0.005 0.000 0.205 356 K C 1.207 177.772 176.600 -0.057 0.000 1.051 356 K CA 0.930 57.146 56.287 -0.118 0.000 0.941 356 K CB 0.420 32.858 32.500 -0.103 0.000 0.719 356 K HN 0.115 nan 8.250 nan 0.000 0.440 357 R N -0.532 119.911 120.500 -0.095 0.000 2.453 357 R HA 0.180 4.523 4.340 0.005 0.000 0.233 357 R C 0.548 176.626 176.300 -0.369 0.000 0.895 357 R CA 0.279 56.311 56.100 -0.113 0.000 1.028 357 R CB 1.263 31.467 30.300 -0.159 0.000 1.255 357 R HN 0.166 nan 8.270 nan 0.000 0.571 358 S N -0.662 114.824 115.700 -0.356 0.000 2.672 358 S HA 0.513 4.986 4.470 0.005 0.000 0.271 358 S C -0.467 173.990 174.600 -0.238 0.000 1.171 358 S CA -0.655 57.250 58.200 -0.492 0.000 0.817 358 S CB 1.461 64.408 63.200 -0.422 0.000 1.150 358 S HN -0.040 nan 8.310 nan 0.000 0.478 359 V N -0.697 119.097 119.914 -0.200 0.000 2.713 359 V HA 0.694 4.817 4.120 0.005 0.000 0.307 359 V C -0.154 175.891 176.094 -0.081 0.000 1.052 359 V CA -0.941 61.291 62.300 -0.114 0.000 0.967 359 V CB 1.323 33.103 31.823 -0.072 0.000 1.019 359 V HN 0.920 nan 8.190 nan 0.000 0.459 360 M N 5.205 124.740 119.600 -0.109 0.000 2.144 360 M HA 0.468 4.951 4.480 0.005 0.000 0.356 360 M C -2.263 173.977 176.300 -0.101 0.000 1.217 360 M CA -2.008 53.193 55.300 -0.166 0.000 1.087 360 M CB 1.319 33.746 32.600 -0.288 0.000 1.609 360 M HN 0.612 nan 8.290 nan 0.000 0.467 361 P HA 0.286 nan 4.420 nan 0.000 0.274 361 P C -2.784 174.300 177.300 -0.359 0.000 1.260 361 P CA -1.165 61.623 63.100 -0.521 0.000 0.793 361 P CB -0.759 30.280 31.700 -1.102 0.000 1.048 362 P HA 0.094 nan 4.420 nan 0.000 0.274 362 P C 0.923 177.842 177.300 -0.634 0.000 1.231 362 P CA -0.129 62.563 63.100 -0.680 0.000 0.790 362 P CB 0.345 31.204 31.700 -1.401 0.000 0.951 363 K N 3.459 123.555 120.400 -0.506 0.000 2.049 363 K HA -0.270 4.053 4.320 0.005 0.000 0.219 363 K C 1.799 178.158 176.600 -0.401 0.000 1.056 363 K CA 2.472 58.406 56.287 -0.587 0.000 0.946 363 K CB -1.753 30.390 32.500 -0.595 0.000 0.723 363 K HN 0.565 nan 8.250 nan 0.000 0.453 364 Y N -0.359 119.699 120.300 -0.403 0.000 2.465 364 Y HA -0.012 4.541 4.550 0.005 0.000 0.289 364 Y C 1.709 177.498 175.900 -0.185 0.000 1.150 364 Y CA 0.679 58.587 58.100 -0.321 0.000 1.293 364 Y CB -1.260 36.948 38.460 -0.421 0.000 0.977 364 Y HN -0.069 nan 8.280 nan 0.000 0.556 365 V N 0.029 119.816 119.914 -0.212 0.000 3.026 365 V HA -0.246 3.877 4.120 0.005 0.000 0.265 365 V C 1.180 177.152 176.094 -0.203 0.000 1.121 365 V CA 1.470 63.576 62.300 -0.323 0.000 1.142 365 V CB -1.081 30.167 31.823 -0.959 0.000 0.730 365 V HN 0.356 nan 8.190 nan 0.000 0.503 366 F N 0.176 120.138 119.950 0.021 0.000 2.641 366 F HA 0.453 4.983 4.527 0.005 0.000 0.302 366 F C 1.473 177.292 175.800 0.031 0.000 1.098 366 F CA -0.282 57.734 58.000 0.027 0.000 1.318 366 F CB -0.356 38.595 39.000 -0.082 0.000 1.035 366 F HN 0.124 nan 8.300 nan 0.000 0.551 367 G N -0.702 108.262 108.800 0.273 0.000 2.537 367 G HA2 0.295 4.258 3.960 0.005 0.000 0.297 367 G HA3 0.295 4.258 3.960 0.005 0.000 0.297 367 G C -1.343 173.860 174.900 0.504 0.000 1.310 367 G CA -0.364 44.874 45.100 0.229 0.000 1.027 367 G HN -0.001 nan 8.290 nan 0.000 0.505 368 F N 0.296 120.421 119.950 0.291 0.000 2.405 368 F HA 0.693 5.222 4.527 0.005 0.000 0.355 368 F C -1.114 174.437 175.800 -0.417 0.000 1.121 368 F CA -2.080 55.949 58.000 0.048 0.000 1.112 368 F CB 0.587 39.638 39.000 0.084 0.000 1.126 368 F HN 0.165 nan 8.300 nan 0.000 0.481 369 F N 3.930 123.208 119.950 -1.119 0.000 2.508 369 F HA 0.388 4.918 4.527 0.005 0.000 0.325 369 F C -0.399 174.737 175.800 -1.108 0.000 1.090 369 F CA -0.993 56.359 58.000 -1.080 0.000 0.945 369 F CB 1.893 40.507 39.000 -0.643 0.000 1.156 369 F HN 0.347 nan 8.300 nan 0.000 0.463 370 Q N 2.073 121.570 119.800 -0.504 0.000 2.347 370 Q HA 0.550 4.893 4.340 0.005 0.000 0.262 370 Q C -0.493 175.544 176.000 0.061 0.000 0.980 370 Q CA -0.390 55.367 55.803 -0.078 0.000 0.867 370 Q CB 1.629 30.580 28.738 0.354 0.000 1.242 370 Q HN 0.777 nan 8.270 nan 0.000 0.453 371 G N 1.688 110.525 108.800 0.062 0.000 2.389 371 G HA2 0.664 4.627 3.960 0.005 0.000 0.317 371 G HA3 0.664 4.627 3.960 0.005 0.000 0.317 371 G C -1.284 173.900 174.900 0.472 0.000 1.137 371 G CA -0.481 44.673 45.100 0.090 0.000 0.870 371 G HN 0.519 nan 8.290 nan 0.000 0.496 372 V N 2.085 122.282 119.914 0.471 0.000 2.711 372 V HA 0.310 4.433 4.120 0.005 0.000 0.304 372 V C -1.439 174.871 176.094 0.360 0.000 1.097 372 V CA -0.839 61.602 62.300 0.235 0.000 0.906 372 V CB 1.825 33.690 31.823 0.070 0.000 1.015 372 V HN 0.709 nan 8.190 nan 0.000 0.427 373 F N 4.098 124.094 119.950 0.076 0.000 2.371 373 F HA 0.760 5.290 4.527 0.005 0.000 0.363 373 F C 0.816 176.551 175.800 -0.108 0.000 1.122 373 F CA -0.358 57.685 58.000 0.072 0.000 1.129 373 F CB 0.923 40.058 39.000 0.225 0.000 1.173 373 F HN 0.796 nan 8.300 nan 0.000 0.489 374 G N 2.841 111.604 108.800 -0.062 0.000 2.245 374 G HA2 -0.060 3.903 3.960 0.005 0.000 0.116 374 G HA3 -0.060 3.903 3.960 0.005 0.000 0.116 374 G C -0.237 174.620 174.900 -0.072 0.000 1.054 374 G CA -0.248 44.705 45.100 -0.246 0.000 0.728 374 G HN 0.968 nan 8.290 nan 0.000 0.483 375 T N -1.900 112.689 114.554 0.058 0.000 2.934 375 T HA 0.714 5.067 4.350 0.005 0.000 0.283 375 T C 1.350 176.130 174.700 0.133 0.000 1.005 375 T CA 0.520 62.683 62.100 0.105 0.000 1.041 375 T CB 1.897 70.890 68.868 0.207 0.000 1.042 375 T HN 0.948 nan 8.240 nan 0.000 0.505 376 S N -0.175 115.532 115.700 0.011 0.000 2.520 376 S HA 0.399 4.872 4.470 0.005 0.000 0.219 376 S C 0.630 175.035 174.600 -0.324 0.000 1.028 376 S CA 0.106 58.276 58.200 -0.050 0.000 0.921 376 S CB -0.275 62.882 63.200 -0.071 0.000 0.844 376 S HN 1.412 nan 8.310 nan 0.000 0.495 377 S N -0.213 115.105 115.700 -0.638 0.000 2.615 377 S HA 0.542 5.015 4.470 0.005 0.000 0.268 377 S C -0.000 174.046 174.600 -0.923 0.000 1.146 377 S CA -0.631 56.953 58.200 -1.028 0.000 0.818 377 S CB 0.707 63.625 63.200 -0.470 0.000 1.111 377 S HN 0.105 nan 8.310 nan 0.000 0.465 378 L N 1.124 121.845 121.223 -0.836 0.000 1.950 378 L HA 0.433 4.776 4.340 0.005 0.000 0.210 378 L C 0.367 176.913 176.870 -0.541 0.000 1.079 378 L CA 1.632 56.115 54.840 -0.596 0.000 0.754 378 L CB -0.923 40.805 42.059 -0.551 0.000 0.889 378 L HN 0.747 nan 8.230 nan 0.000 0.433 379 L N -0.440 120.520 121.223 -0.438 0.000 2.360 379 L HA 0.326 4.669 4.340 0.005 0.000 0.271 379 L C 1.661 178.374 176.870 -0.262 0.000 1.057 379 L CA -0.597 54.028 54.840 -0.359 0.000 0.803 379 L CB 0.675 42.556 42.059 -0.297 0.000 1.207 379 L HN 0.109 nan 8.230 nan 0.000 0.445 380 R N 1.457 121.832 120.500 -0.209 0.000 2.211 380 R HA -0.152 4.191 4.340 0.005 0.000 0.240 380 R C 1.708 177.891 176.300 -0.195 0.000 1.144 380 R CA 1.319 57.320 56.100 -0.166 0.000 0.992 380 R CB -0.391 29.836 30.300 -0.121 0.000 0.869 380 R HN 0.818 nan 8.270 nan 0.000 0.462 381 A N 0.335 122.987 122.820 -0.280 0.000 2.206 381 A HA -0.053 4.270 4.320 0.005 0.000 0.211 381 A C 0.675 177.883 177.584 -0.627 0.000 1.158 381 A CA 0.698 52.483 52.037 -0.420 0.000 0.761 381 A CB 0.018 18.730 19.000 -0.480 0.000 0.801 381 A HN 0.282 nan 8.150 nan 0.000 0.473 382 H N -1.882 117.108 119.070 -0.133 0.000 2.767 382 H HA 0.262 4.821 4.556 0.005 0.000 0.260 382 H C -0.121 175.117 175.328 -0.151 0.000 1.172 382 H CA -0.360 55.609 56.048 -0.131 0.000 1.048 382 H CB -0.101 29.578 29.762 -0.138 0.000 1.697 382 H HN 0.380 nan 8.280 nan 0.000 0.606 383 M N 4.040 123.588 119.600 -0.087 0.000 2.194 383 M HA 0.171 4.653 4.480 0.005 0.000 0.347 383 M C -2.254 174.008 176.300 -0.064 0.000 1.439 383 M CA -1.230 54.010 55.300 -0.100 0.000 1.131 383 M CB 0.753 33.287 32.600 -0.111 0.000 1.733 383 M HN -0.092 nan 8.290 nan 0.000 0.467 384 P HA 0.234 nan 4.420 nan 0.000 0.282 384 P C -0.957 176.321 177.300 -0.036 0.000 1.262 384 P CA -0.349 62.728 63.100 -0.038 0.000 0.773 384 P CB 0.553 32.230 31.700 -0.037 0.000 0.879 385 A N 3.132 125.936 122.820 -0.027 0.000 2.561 385 A HA 0.489 4.812 4.320 0.005 0.000 0.234 385 A C 0.806 178.382 177.584 -0.013 0.000 1.055 385 A CA 0.897 52.922 52.037 -0.019 0.000 0.756 385 A CB -0.652 18.339 19.000 -0.015 0.000 0.986 385 A HN 0.825 nan 8.150 nan 0.000 0.505 386 G N 0.765 109.566 108.800 0.001 0.000 2.473 386 G HA2 0.416 4.378 3.960 0.005 0.000 0.298 386 G HA3 0.416 4.378 3.960 0.005 0.000 0.298 386 G C -0.875 174.062 174.900 0.060 0.000 1.575 386 G CA -0.615 44.495 45.100 0.017 0.000 0.846 386 G HN 0.914 nan 8.290 nan 0.000 0.585 387 E N 0.779 121.054 120.200 0.125 0.000 2.498 387 E HA 0.069 4.422 4.350 0.005 0.000 0.252 387 E C 0.706 177.455 176.600 0.250 0.000 1.025 387 E CA 0.513 57.027 56.400 0.189 0.000 0.938 387 E CB 0.025 29.889 29.700 0.273 0.000 0.947 387 E HN 0.575 nan 8.360 nan 0.000 0.478 388 N N 3.059 121.844 118.700 0.141 0.000 2.754 388 N HA -0.184 4.559 4.740 0.005 0.000 0.248 388 N C -1.140 174.435 175.510 0.109 0.000 1.093 388 N CA 0.629 53.763 53.050 0.141 0.000 0.699 388 N CB -0.836 37.788 38.487 0.228 0.000 1.016 388 N HN 0.482 nan 8.380 nan 0.000 0.552 389 N N 0.396 119.129 118.700 0.054 0.000 2.366 389 N HA 0.714 5.457 4.740 0.005 0.000 0.277 389 N C 0.082 175.598 175.510 0.009 0.000 1.275 389 N CA 0.114 53.170 53.050 0.011 0.000 0.964 389 N CB 0.549 39.025 38.487 -0.019 0.000 1.167 389 N HN 0.399 nan 8.380 nan 0.000 0.568 390 I N -1.039 119.524 120.570 -0.012 0.000 2.639 390 I HA 0.056 4.228 4.170 0.005 0.000 0.293 390 I C -1.294 174.801 176.117 -0.036 0.000 1.762 390 I CA -0.284 61.011 61.300 -0.009 0.000 0.993 390 I CB 0.961 38.983 38.000 0.035 0.000 1.518 390 I HN 0.652 nan 8.210 nan 0.000 0.517 391 S N 4.758 120.418 115.700 -0.066 0.000 2.638 391 S HA 0.512 4.985 4.470 0.005 0.000 0.298 391 S C 0.947 175.498 174.600 -0.080 0.000 1.111 391 S CA -0.661 57.463 58.200 -0.126 0.000 1.027 391 S CB 2.047 65.128 63.200 -0.198 0.000 1.064 391 S HN 0.482 nan 8.310 nan 0.000 0.525 392 V N 1.367 121.222 119.914 -0.099 0.000 2.277 392 V HA -0.281 3.841 4.120 0.005 0.000 0.253 392 V C 2.708 178.778 176.094 -0.039 0.000 1.067 392 V CA 2.642 64.923 62.300 -0.031 0.000 1.047 392 V CB -1.339 30.434 31.823 -0.082 0.000 0.649 392 V HN 1.084 nan 8.190 nan 0.000 0.447 393 E N 0.318 120.398 120.200 -0.201 0.000 2.055 393 E HA -0.355 3.998 4.350 0.005 0.000 0.209 393 E C 2.289 178.894 176.600 0.008 0.000 1.036 393 E CA 2.308 58.645 56.400 -0.105 0.000 0.849 393 E CB -0.395 29.185 29.700 -0.201 0.000 0.767 393 E HN 0.714 nan 8.360 nan 0.000 0.461 394 E N -0.168 120.011 120.200 -0.035 0.000 2.130 394 E HA -0.243 4.110 4.350 0.005 0.000 0.196 394 E C 2.115 178.689 176.600 -0.043 0.000 0.998 394 E CA 1.642 58.021 56.400 -0.035 0.000 0.806 394 E CB -0.196 29.496 29.700 -0.013 0.000 0.738 394 E HN 0.435 nan 8.360 nan 0.000 0.459 395 I N 0.099 120.690 120.570 0.035 0.000 2.163 395 I HA -0.260 3.913 4.170 0.005 0.000 0.240 395 I C 2.420 178.473 176.117 -0.107 0.000 1.081 395 I CA 0.763 62.109 61.300 0.077 0.000 1.353 395 I CB -0.275 37.840 38.000 0.191 0.000 1.054 395 I HN 0.027 nan 8.210 nan 0.000 0.407 396 V N 0.618 120.536 119.914 0.007 0.000 2.324 396 V HA -0.342 3.781 4.120 0.005 0.000 0.250 396 V C 2.388 178.399 176.094 -0.137 0.000 1.060 396 V CA 2.125 64.422 62.300 -0.005 0.000 1.042 396 V CB -0.737 31.257 31.823 0.286 0.000 0.650 396 V HN 0.440 nan 8.190 nan 0.000 0.450 397 E N 0.015 120.130 120.200 -0.142 0.000 2.072 397 E HA -0.114 4.239 4.350 0.005 0.000 0.191 397 E C 2.364 178.696 176.600 -0.446 0.000 0.985 397 E CA 1.102 57.382 56.400 -0.199 0.000 0.801 397 E CB -0.570 29.045 29.700 -0.142 0.000 0.750 397 E HN 0.637 nan 8.360 nan 0.000 0.452 398 G N 0.045 108.310 108.800 -0.892 0.000 2.476 398 G HA2 -0.280 3.683 3.960 0.005 0.000 0.218 398 G HA3 -0.280 3.683 3.960 0.005 0.000 0.218 398 G C 1.081 175.230 174.900 -1.252 0.000 1.164 398 G CA 1.089 45.023 45.100 -1.943 0.000 0.768 398 G HN 0.215 nan 8.290 nan 0.000 0.560 399 Y N 0.461 120.288 120.300 -0.788 0.000 2.206 399 Y HA 0.029 4.582 4.550 0.005 0.000 0.292 399 Y C 3.225 179.071 175.900 -0.091 0.000 1.123 399 Y CA 1.396 59.266 58.100 -0.382 0.000 1.142 399 Y CB -0.445 37.577 38.460 -0.731 0.000 1.006 399 Y HN 0.224 nan 8.280 nan 0.000 0.518 400 Q N -0.243 119.558 119.800 0.000 0.000 2.046 400 Q HA -0.181 4.161 4.340 0.005 0.000 0.200 400 Q C 1.808 177.825 176.000 0.029 0.000 0.975 400 Q CA 1.290 57.125 55.803 0.054 0.000 0.836 400 Q CB -0.326 28.427 28.738 0.025 0.000 0.896 400 Q HN 0.370 nan 8.270 nan 0.000 0.428 401 N N 0.949 119.622 118.700 -0.045 0.000 2.405 401 N HA -0.117 4.626 4.740 0.005 0.000 0.189 401 N C 0.333 175.843 175.510 0.000 0.000 1.021 401 N CA 0.921 53.943 53.050 -0.046 0.000 0.891 401 N CB -0.050 38.369 38.487 -0.112 0.000 0.955 401 N HN 0.253 nan 8.380 nan 0.000 0.443 402 N N 0.174 118.916 118.700 0.070 0.000 2.416 402 N HA 0.019 4.761 4.740 0.005 0.000 0.267 402 N C -0.636 174.960 175.510 0.143 0.000 1.294 402 N CA -0.147 52.985 53.050 0.136 0.000 0.891 402 N CB 0.253 38.884 38.487 0.240 0.000 1.238 402 N HN 0.021 nan 8.380 nan 0.000 0.508 403 N N 0.888 119.654 118.700 0.110 0.000 2.707 403 N HA -0.229 4.514 4.740 0.005 0.000 0.253 403 N C -1.097 174.447 175.510 0.056 0.000 0.998 403 N CA 0.440 53.532 53.050 0.071 0.000 0.751 403 N CB -1.574 36.916 38.487 0.005 0.000 0.920 403 N HN 0.232 nan 8.380 nan 0.000 0.539 404 F N 0.085 120.114 119.950 0.131 0.000 2.382 404 F HA 0.396 4.926 4.527 0.005 0.000 0.331 404 F C -1.383 174.486 175.800 0.114 0.000 1.121 404 F CA -1.774 56.335 58.000 0.183 0.000 1.183 404 F CB 0.813 40.057 39.000 0.408 0.000 1.207 404 F HN 0.060 nan 8.300 nan 0.000 0.555 405 P HA 0.117 nan 4.420 nan 0.000 0.281 405 P C -1.181 176.197 177.300 0.129 0.000 1.286 405 P CA 0.138 63.190 63.100 -0.079 0.000 0.772 405 P CB 0.200 31.485 31.700 -0.690 0.000 0.862 406 F N 3.011 122.955 119.950 -0.010 0.000 2.507 406 F HA 0.295 4.825 4.527 0.005 0.000 0.328 406 F C 1.204 176.948 175.800 -0.094 0.000 1.136 406 F CA -0.759 57.198 58.000 -0.071 0.000 0.930 406 F CB 2.061 41.000 39.000 -0.101 0.000 1.166 406 F HN 0.148 nan 8.300 nan 0.000 0.436 407 E N 3.080 122.883 120.200 -0.661 0.000 2.051 407 E HA 0.366 4.719 4.350 0.005 0.000 0.189 407 E C 0.759 176.761 176.600 -0.997 0.000 0.979 407 E CA 1.376 57.337 56.400 -0.732 0.000 0.803 407 E CB 0.045 29.175 29.700 -0.951 0.000 0.761 407 E HN 0.874 nan 8.360 nan 0.000 0.451 408 G N -1.715 106.177 108.800 -1.512 0.000 2.323 408 G HA2 0.399 4.362 3.960 0.005 0.000 0.291 408 G HA3 0.399 4.362 3.960 0.005 0.000 0.291 408 G C -1.821 172.616 174.900 -0.771 0.000 1.278 408 G CA -0.433 44.134 45.100 -0.889 0.000 0.860 408 G HN 0.122 nan 8.290 nan 0.000 0.504 409 L N -1.110 120.043 121.223 -0.117 0.000 2.303 409 L HA 0.948 5.291 4.340 0.005 0.000 0.256 409 L C 0.368 177.322 176.870 0.140 0.000 1.034 409 L CA -1.101 53.779 54.840 0.067 0.000 0.832 409 L CB 1.811 43.998 42.059 0.214 0.000 1.403 409 L HN 1.207 nan 8.230 nan 0.000 0.419 410 A N 0.730 123.564 122.820 0.025 0.000 2.341 410 A HA 0.658 4.981 4.320 0.005 0.000 0.326 410 A C -0.440 177.224 177.584 0.134 0.000 1.402 410 A CA -0.489 51.484 52.037 -0.107 0.000 0.957 410 A CB 0.064 18.615 19.000 -0.747 0.000 1.151 410 A HN 0.471 nan 8.150 nan 0.000 0.533 411 V N 4.344 124.381 119.914 0.204 0.000 2.405 411 V HA 0.077 4.200 4.120 0.005 0.000 0.264 411 V C 0.529 176.694 176.094 0.117 0.000 1.048 411 V CA -0.138 62.250 62.300 0.147 0.000 0.966 411 V CB 0.661 32.538 31.823 0.091 0.000 1.015 411 V HN 0.946 nan 8.190 nan 0.000 0.477 412 D N 3.148 123.594 120.400 0.078 0.000 2.403 412 D HA 0.138 4.781 4.640 0.005 0.000 0.278 412 D C 1.324 177.430 176.300 -0.323 0.000 1.230 412 D CA 0.127 54.059 54.000 -0.113 0.000 1.062 412 D CB 1.368 42.186 40.800 0.029 0.000 1.119 412 D HN 0.306 nan 8.370 nan 0.000 0.557 413 V N -1.194 118.449 119.914 -0.451 0.000 3.217 413 V HA -0.034 4.088 4.120 0.005 0.000 0.264 413 V C 1.391 177.306 176.094 -0.298 0.000 1.135 413 V CA 0.793 62.831 62.300 -0.437 0.000 1.142 413 V CB -0.501 30.958 31.823 -0.607 0.000 0.754 413 V HN 0.287 nan 8.190 nan 0.000 0.484 414 D N 2.093 122.384 120.400 -0.181 0.000 2.149 414 D HA -0.287 4.355 4.640 0.005 0.000 0.194 414 D C 2.078 178.152 176.300 -0.376 0.000 1.001 414 D CA 2.450 56.390 54.000 -0.100 0.000 0.849 414 D CB -0.227 40.624 40.800 0.084 0.000 0.939 414 D HN 0.703 nan 8.370 nan 0.000 0.449 415 M N 0.025 119.061 119.600 -0.940 0.000 2.562 415 M HA -0.016 4.467 4.480 0.005 0.000 0.257 415 M C 0.547 176.524 176.300 -0.538 0.000 1.099 415 M CA 0.577 54.954 55.300 -1.538 0.000 1.099 415 M CB 0.120 31.744 32.600 -1.628 0.000 1.427 415 M HN -0.217 nan 8.290 nan 0.000 0.489 416 Q N 2.086 121.677 119.800 -0.348 0.000 2.394 416 Q HA 0.051 4.393 4.340 0.005 0.000 0.248 416 Q C -0.613 175.313 176.000 -0.123 0.000 0.992 416 Q CA -0.246 55.433 55.803 -0.206 0.000 0.888 416 Q CB 0.526 29.132 28.738 -0.219 0.000 1.257 416 Q HN 0.228 nan 8.270 nan 0.000 0.462 417 D N 2.250 122.592 120.400 -0.096 0.000 2.359 417 D HA -0.053 4.590 4.640 0.005 0.000 0.250 417 D C -0.382 175.846 176.300 -0.120 0.000 1.264 417 D CA 0.225 54.181 54.000 -0.075 0.000 0.911 417 D CB -0.300 40.462 40.800 -0.063 0.000 1.056 417 D HN 0.484 nan 8.370 nan 0.000 0.499 418 N N 4.705 123.354 118.700 -0.086 0.000 2.678 418 N HA -0.217 4.526 4.740 0.005 0.000 0.268 418 N C 0.158 175.595 175.510 -0.122 0.000 1.010 418 N CA 0.581 53.578 53.050 -0.087 0.000 0.784 418 N CB -0.429 38.014 38.487 -0.073 0.000 0.905 418 N HN 0.692 nan 8.380 nan 0.000 0.552 419 L N -2.704 118.445 121.223 -0.125 0.000 4.179 419 L HA -0.318 4.025 4.340 0.005 0.000 0.418 419 L C 0.234 177.005 176.870 -0.165 0.000 1.168 419 L CA 1.219 55.985 54.840 -0.122 0.000 0.972 419 L CB -1.462 40.568 42.059 -0.047 0.000 2.005 419 L HN 0.392 nan 8.230 nan 0.000 0.935 420 R N 0.420 120.759 120.500 -0.269 0.000 2.202 420 R HA 0.504 4.847 4.340 0.005 0.000 0.334 420 R C 0.146 176.312 176.300 -0.224 0.000 1.036 420 R CA -0.467 55.360 56.100 -0.456 0.000 0.878 420 R CB 2.099 31.788 30.300 -1.019 0.000 1.067 420 R HN 0.050 nan 8.270 nan 0.000 0.457 421 V N 5.023 124.910 119.914 -0.043 0.000 2.811 421 V HA 0.051 4.174 4.120 0.005 0.000 0.302 421 V C 0.292 176.371 176.094 -0.024 0.000 1.063 421 V CA 0.676 62.884 62.300 -0.153 0.000 1.088 421 V CB -0.238 31.452 31.823 -0.222 0.000 0.982 421 V HN 0.930 nan 8.190 nan 0.000 0.485 422 F N 1.638 121.500 119.950 -0.147 0.000 2.502 422 F HA -0.182 4.348 4.527 0.005 0.000 0.480 422 F C 0.917 176.671 175.800 -0.077 0.000 0.543 422 F CA 1.158 59.041 58.000 -0.195 0.000 1.350 422 F CB -2.301 36.545 39.000 -0.258 0.000 1.999 422 F HN 0.783 nan 8.300 nan 0.000 0.267 423 T N -0.747 113.859 114.554 0.088 0.000 2.929 423 T HA 0.708 5.061 4.350 0.005 0.000 0.284 423 T C 0.147 174.870 174.700 0.037 0.000 1.014 423 T CA 0.206 62.351 62.100 0.074 0.000 1.051 423 T CB 2.430 71.314 68.868 0.027 0.000 1.028 423 T HN 0.407 nan 8.240 nan 0.000 0.485 424 T N -0.394 114.230 114.554 0.117 0.000 2.863 424 T HA 0.673 5.026 4.350 0.005 0.000 0.285 424 T C -0.530 174.284 174.700 0.190 0.000 1.009 424 T CA -1.183 61.010 62.100 0.154 0.000 0.989 424 T CB 1.462 70.531 68.868 0.335 0.000 1.004 424 T HN 1.002 nan 8.240 nan 0.000 0.455 425 K N 0.822 121.333 120.400 0.185 0.000 2.123 425 K HA 0.691 5.014 4.320 0.005 0.000 0.248 425 K C 1.529 178.288 176.600 0.266 0.000 0.969 425 K CA -0.886 55.500 56.287 0.165 0.000 0.882 425 K CB 0.765 33.331 32.500 0.111 0.000 1.080 425 K HN 0.587 nan 8.250 nan 0.000 0.441 426 G N 1.282 110.142 108.800 0.100 0.000 2.507 426 G HA2 -0.291 3.672 3.960 0.005 0.000 0.221 426 G HA3 -0.291 3.672 3.960 0.005 0.000 0.221 426 G C 0.913 175.879 174.900 0.110 0.000 1.119 426 G CA 0.895 46.013 45.100 0.031 0.000 0.751 426 G HN 0.823 nan 8.290 nan 0.000 0.574 427 E N -0.530 119.713 120.200 0.070 0.000 2.338 427 E HA 0.027 4.380 4.350 0.005 0.000 0.197 427 E C 0.881 177.364 176.600 -0.194 0.000 1.007 427 E CA 0.279 56.624 56.400 -0.091 0.000 0.849 427 E CB -0.164 29.439 29.700 -0.163 0.000 0.774 427 E HN 0.541 nan 8.360 nan 0.000 0.506 428 F N -0.743 119.249 119.950 0.071 0.000 2.798 428 F HA 0.225 4.754 4.527 0.004 0.000 0.291 428 F C -0.507 175.154 175.800 -0.231 0.000 1.174 428 F CA -0.212 57.730 58.000 -0.097 0.000 1.392 428 F CB 0.128 39.029 39.000 -0.164 0.000 0.966 428 F HN -0.101 nan 8.300 nan 0.000 0.509 429 W N -0.810 120.439 121.300 -0.084 0.000 3.127 429 W HA 0.262 4.925 4.660 0.004 0.000 0.330 429 W C 1.378 177.843 176.519 -0.090 0.000 1.187 429 W CA -0.881 56.424 57.345 -0.068 0.000 1.198 429 W CB 1.028 30.464 29.460 -0.039 0.000 1.408 429 W HN -0.124 nan 8.180 nan 0.000 0.529 430 T N -1.596 113.063 114.554 0.175 0.000 2.788 430 T HA -0.160 4.193 4.350 0.005 0.000 0.268 430 T C 1.471 176.282 174.700 0.185 0.000 1.044 430 T CA 1.690 63.868 62.100 0.130 0.000 1.139 430 T CB -0.225 68.737 68.868 0.158 0.000 0.867 430 T HN 0.464 nan 8.240 nan 0.000 0.454 431 A N 1.008 123.932 122.820 0.174 0.000 2.251 431 A HA 0.333 4.656 4.320 0.005 0.000 0.209 431 A C 1.087 178.622 177.584 -0.081 0.000 1.187 431 A CA 0.400 52.487 52.037 0.084 0.000 0.823 431 A CB -0.675 18.366 19.000 0.068 0.000 0.846 431 A HN 0.567 nan 8.150 nan 0.000 0.486 432 N N -0.466 118.134 118.700 -0.167 0.000 2.780 432 N HA -0.164 4.579 4.740 0.005 0.000 0.247 432 N C -0.326 175.041 175.510 -0.238 0.000 1.076 432 N CA 1.331 54.149 53.050 -0.387 0.000 0.688 432 N CB -1.351 36.565 38.487 -0.950 0.000 0.957 432 N HN 0.929 nan 8.380 nan 0.000 0.551 433 R N -2.828 117.541 120.500 -0.219 0.000 2.824 433 R HA 0.437 4.780 4.340 0.005 0.000 0.267 433 R C -1.318 174.526 176.300 -0.759 0.000 1.035 433 R CA -0.979 54.919 56.100 -0.337 0.000 0.887 433 R CB 0.373 30.519 30.300 -0.256 0.000 1.262 433 R HN -0.141 nan 8.270 nan 0.000 0.487 434 V N 1.848 121.305 119.914 -0.762 0.000 2.555 434 V HA 0.524 4.647 4.120 0.005 0.000 0.286 434 V C 0.854 176.338 176.094 -1.016 0.000 1.044 434 V CA 0.887 62.502 62.300 -1.142 0.000 1.026 434 V CB 1.069 32.641 31.823 -0.418 0.000 0.981 434 V HN 0.880 nan 8.190 nan 0.000 0.480 435 G N 2.319 110.236 108.800 -1.472 0.000 3.016 435 G HA2 0.494 4.457 3.960 0.005 0.000 0.270 435 G HA3 0.494 4.457 3.960 0.005 0.000 0.270 435 G C 0.810 175.622 174.900 -0.147 0.000 1.352 435 G CA 0.330 45.053 45.100 -0.629 0.000 1.060 435 G HN 0.705 nan 8.290 nan 0.000 0.538 436 T N -3.464 111.105 114.554 0.024 0.000 3.051 436 T HA 0.454 4.807 4.350 0.005 0.000 0.255 436 T C 1.200 176.051 174.700 0.252 0.000 1.085 436 T CA 1.133 63.309 62.100 0.126 0.000 1.109 436 T CB -0.271 68.644 68.868 0.078 0.000 0.921 436 T HN 2.356 nan 8.240 nan 0.000 0.488 437 G N -0.822 108.171 108.800 0.321 0.000 2.619 437 G HA2 0.416 4.379 3.960 0.005 0.000 0.686 437 G HA3 0.416 4.379 3.960 0.005 0.000 0.686 437 G C 0.506 175.544 174.900 0.230 0.000 1.256 437 G CA -0.071 45.249 45.100 0.366 0.000 0.826 437 G HN 1.523 nan 8.290 nan 0.000 0.619 438 G N -0.502 108.427 108.800 0.214 0.000 2.213 438 G HA2 -0.095 3.867 3.960 0.005 0.000 0.236 438 G HA3 -0.095 3.867 3.960 0.005 0.000 0.236 438 G C 0.247 175.234 174.900 0.144 0.000 0.991 438 G CA 1.146 46.339 45.100 0.155 0.000 0.629 438 G HN 1.627 nan 8.290 nan 0.000 0.517 439 D N 1.656 122.161 120.400 0.175 0.000 2.339 439 D HA 0.400 5.043 4.640 0.005 0.000 0.256 439 D C -0.150 176.241 176.300 0.152 0.000 1.214 439 D CA -1.635 52.454 54.000 0.149 0.000 0.877 439 D CB 1.586 42.475 40.800 0.148 0.000 1.111 439 D HN 0.172 nan 8.370 nan 0.000 0.478 440 P HA -0.085 nan 4.420 nan 0.000 0.218 440 P C 0.428 177.799 177.300 0.118 0.000 1.149 440 P CA 0.720 63.885 63.100 0.109 0.000 0.817 440 P CB 0.503 32.251 31.700 0.080 0.000 0.785 441 N N -0.577 118.189 118.700 0.110 0.000 2.336 441 N HA 0.005 4.748 4.740 0.005 0.000 0.189 441 N C 0.074 175.663 175.510 0.131 0.000 1.113 441 N CA 0.380 53.493 53.050 0.106 0.000 0.858 441 N CB -0.334 38.198 38.487 0.076 0.000 0.970 441 N HN 0.168 nan 8.380 nan 0.000 0.471 442 N N 0.640 119.446 118.700 0.176 0.000 2.732 442 N HA 0.158 4.901 4.740 0.005 0.000 0.247 442 N C -1.260 174.503 175.510 0.422 0.000 1.305 442 N CA -0.278 52.921 53.050 0.248 0.000 0.762 442 N CB 0.624 39.209 38.487 0.163 0.000 1.361 442 N HN -0.141 nan 8.380 nan 0.000 0.545 443 R N 0.391 121.106 120.500 0.360 0.000 2.532 443 R HA 0.551 4.893 4.340 0.005 0.000 0.272 443 R C 0.426 176.738 176.300 0.021 0.000 1.032 443 R CA -0.583 55.675 56.100 0.262 0.000 1.089 443 R CB 0.996 31.430 30.300 0.225 0.000 1.098 443 R HN 0.633 nan 8.270 nan 0.000 0.526 444 S N -0.069 115.315 115.700 -0.527 0.000 2.707 444 S HA 0.084 4.557 4.470 0.005 0.000 0.276 444 S C 1.119 175.373 174.600 -0.576 0.000 1.179 444 S CA -0.863 56.583 58.200 -1.258 0.000 0.992 444 S CB 1.414 63.808 63.200 -1.344 0.000 1.030 444 S HN 0.414 nan 8.310 nan 0.000 0.554 445 V N 0.516 120.011 119.914 -0.697 0.000 2.392 445 V HA -0.106 4.017 4.120 0.005 0.000 0.249 445 V C 1.742 177.648 176.094 -0.313 0.000 1.059 445 V CA 1.976 63.995 62.300 -0.468 0.000 1.051 445 V CB -1.187 30.312 31.823 -0.539 0.000 0.658 445 V HN 0.788 nan 8.190 nan 0.000 0.455 446 F N 0.906 120.775 119.950 -0.136 0.000 2.084 446 F HA -0.036 4.494 4.527 0.005 0.000 0.296 446 F C 2.455 178.097 175.800 -0.263 0.000 1.111 446 F CA 1.880 59.760 58.000 -0.201 0.000 1.224 446 F CB -1.216 37.667 39.000 -0.195 0.000 0.991 446 F HN 0.178 nan 8.300 nan 0.000 0.471 447 E N -0.774 119.450 120.200 0.040 0.000 2.058 447 E HA -0.289 4.064 4.350 0.005 0.000 0.194 447 E C 1.985 178.670 176.600 0.141 0.000 0.997 447 E CA 1.646 58.111 56.400 0.109 0.000 0.801 447 E CB -0.546 29.227 29.700 0.121 0.000 0.746 447 E HN 0.513 nan 8.360 nan 0.000 0.450 448 W N 1.257 122.523 121.300 -0.057 0.000 2.318 448 W HA -0.290 4.373 4.660 0.005 0.000 0.313 448 W C 2.344 178.863 176.519 0.001 0.000 1.221 448 W CA 2.412 59.742 57.345 -0.025 0.000 1.266 448 W CB -0.402 29.018 29.460 -0.066 0.000 1.150 448 W HN 0.060 nan 8.180 nan 0.000 0.496 449 A N -0.854 122.076 122.820 0.183 0.000 1.902 449 A HA -0.235 4.088 4.320 0.005 0.000 0.217 449 A C 1.662 179.234 177.584 -0.019 0.000 1.181 449 A CA 1.967 54.034 52.037 0.051 0.000 0.623 449 A CB -1.405 17.687 19.000 0.153 0.000 0.818 449 A HN 0.622 nan 8.150 nan 0.000 0.443 450 H N -0.540 118.559 119.070 0.048 0.000 2.352 450 H HA -0.133 4.426 4.556 0.005 0.000 0.299 450 H C 0.901 176.202 175.328 -0.045 0.000 1.097 450 H CA 1.021 57.089 56.048 0.034 0.000 1.311 450 H CB 0.039 29.846 29.762 0.076 0.000 1.377 450 H HN 0.379 nan 8.280 nan 0.000 0.504 451 D N -0.032 120.371 120.400 0.006 0.000 2.378 451 D HA -0.046 4.596 4.640 0.005 0.000 0.227 451 D C 1.097 177.267 176.300 -0.217 0.000 1.012 451 D CA 0.727 54.664 54.000 -0.104 0.000 0.905 451 D CB 0.168 40.883 40.800 -0.142 0.000 0.895 451 D HN 0.260 nan 8.370 nan 0.000 0.532 452 K N -0.881 119.379 120.400 -0.234 0.000 2.413 452 K HA 0.218 4.541 4.320 0.005 0.000 0.204 452 K C 0.886 177.446 176.600 -0.067 0.000 1.041 452 K CA 0.077 56.221 56.287 -0.239 0.000 1.082 452 K CB 1.343 33.590 32.500 -0.422 0.000 0.871 452 K HN 0.055 nan 8.250 nan 0.000 0.535 453 G N 2.116 110.915 108.800 -0.003 0.000 2.176 453 G HA2 -0.256 3.707 3.960 0.005 0.000 0.252 453 G HA3 -0.256 3.707 3.960 0.005 0.000 0.252 453 G C -0.015 174.928 174.900 0.072 0.000 1.024 453 G CA 0.323 45.461 45.100 0.064 0.000 0.755 453 G HN 0.188 nan 8.290 nan 0.000 0.507 454 L N -0.837 120.425 121.223 0.065 0.000 2.313 454 L HA 0.872 5.215 4.340 0.005 0.000 0.268 454 L C 0.774 177.671 176.870 0.045 0.000 1.010 454 L CA -1.368 53.476 54.840 0.006 0.000 0.814 454 L CB 2.013 44.086 42.059 0.022 0.000 1.304 454 L HN 0.226 nan 8.230 nan 0.000 0.441 455 V N -2.339 117.509 119.914 -0.110 0.000 3.126 455 V HA 0.762 4.885 4.120 0.005 0.000 0.314 455 V C -0.776 175.362 176.094 0.074 0.000 1.138 455 V CA -0.825 61.441 62.300 -0.056 0.000 1.034 455 V CB 1.885 33.454 31.823 -0.423 0.000 1.075 455 V HN 0.869 nan 8.190 nan 0.000 0.442 456 C N 1.413 120.860 119.300 0.245 0.000 2.985 456 C HA 0.745 5.208 4.460 0.005 0.000 0.314 456 C C -0.550 174.561 174.990 0.202 0.000 1.215 456 C CA -0.669 58.544 59.018 0.324 0.000 1.414 456 C CB 1.719 29.701 27.740 0.403 0.000 1.842 456 C HN 1.095 nan 8.230 nan 0.000 0.477 457 Q N 0.484 120.167 119.800 -0.195 0.000 2.266 457 Q HA 0.785 5.127 4.340 0.005 0.000 0.261 457 Q C -0.694 175.252 176.000 -0.091 0.000 0.985 457 Q CA -0.301 55.149 55.803 -0.587 0.000 0.873 457 Q CB 1.826 29.795 28.738 -1.280 0.000 1.306 457 Q HN 0.629 nan 8.270 nan 0.000 0.447 458 T N 0.995 115.523 114.554 -0.043 0.000 2.908 458 T HA 0.253 4.606 4.350 0.005 0.000 0.290 458 T C -0.687 173.979 174.700 -0.057 0.000 1.034 458 T CA -0.804 61.334 62.100 0.064 0.000 1.010 458 T CB 1.131 70.085 68.868 0.143 0.000 1.068 458 T HN 0.662 nan 8.240 nan 0.000 0.481 459 N N 4.073 122.643 118.700 -0.218 0.000 2.475 459 N HA 0.134 4.877 4.740 0.005 0.000 0.267 459 N C -0.969 174.264 175.510 -0.462 0.000 1.169 459 N CA 0.127 52.806 53.050 -0.619 0.000 0.947 459 N CB 0.124 37.952 38.487 -1.098 0.000 1.061 459 N HN 0.469 nan 8.380 nan 0.000 0.466 460 I N 3.105 123.458 120.570 -0.361 0.000 2.468 460 I HA 0.135 4.307 4.170 0.005 0.000 0.285 460 I C 0.552 176.642 176.117 -0.045 0.000 1.039 460 I CA -0.493 60.637 61.300 -0.283 0.000 1.074 460 I CB 1.153 38.974 38.000 -0.299 0.000 1.228 460 I HN 0.470 nan 8.210 nan 0.000 0.436 461 T N 1.273 115.841 114.554 0.024 0.000 2.948 461 T HA 0.285 4.638 4.350 0.005 0.000 0.285 461 T C 0.920 175.911 174.700 0.486 0.000 1.019 461 T CA -0.686 61.567 62.100 0.256 0.000 1.013 461 T CB 1.851 70.851 68.868 0.220 0.000 1.117 461 T HN 0.726 nan 8.240 nan 0.000 0.533 462 C N 0.130 119.757 119.300 0.545 0.000 2.559 462 C HA 0.513 4.976 4.460 0.005 0.000 0.300 462 C C 0.300 175.513 174.990 0.372 0.000 1.288 462 C CA -1.239 58.056 59.018 0.462 0.000 1.699 462 C CB -2.588 25.286 27.740 0.224 0.000 1.819 462 C HN 0.644 nan 8.230 nan 0.000 0.600 463 F N 2.411 122.470 119.950 0.183 0.000 2.471 463 F HA 0.425 4.955 4.527 0.005 0.000 0.365 463 F C 0.413 176.220 175.800 0.011 0.000 1.095 463 F CA -0.455 57.500 58.000 -0.075 0.000 1.174 463 F CB 0.592 39.550 39.000 -0.069 0.000 1.105 463 F HN -0.008 nan 8.300 nan 0.000 0.535 464 L N 5.041 126.292 121.223 0.046 0.000 2.262 464 L HA 0.331 4.674 4.340 0.005 0.000 0.288 464 L C 0.392 177.371 176.870 0.181 0.000 1.035 464 L CA -0.474 54.508 54.840 0.236 0.000 0.820 464 L CB 0.860 43.047 42.059 0.212 0.000 1.204 464 L HN 0.608 nan 8.230 nan 0.000 0.424 465 R N 2.044 122.735 120.500 0.319 0.000 2.570 465 R HA -0.044 4.299 4.340 0.005 0.000 0.277 465 R C 0.635 177.035 176.300 0.166 0.000 1.039 465 R CA 0.336 56.527 56.100 0.152 0.000 1.065 465 R CB 0.607 30.922 30.300 0.025 0.000 0.964 465 R HN 0.635 nan 8.270 nan 0.000 0.428 466 N N 1.055 119.794 118.700 0.065 0.000 2.397 466 N HA -0.061 4.681 4.740 0.005 0.000 0.190 466 N C -0.889 174.641 175.510 0.033 0.000 1.099 466 N CA 0.051 53.121 53.050 0.034 0.000 0.876 466 N CB 0.523 38.996 38.487 -0.024 0.000 1.143 466 N HN 0.643 nan 8.380 nan 0.000 0.468 467 D N -0.019 120.404 120.400 0.038 0.000 2.563 467 D HA 0.086 4.729 4.640 0.005 0.000 0.222 467 D C -0.383 175.934 176.300 0.028 0.000 1.145 467 D CA -0.245 53.774 54.000 0.032 0.000 1.001 467 D CB -0.035 40.791 40.800 0.044 0.000 1.049 467 D HN 0.039 nan 8.370 nan 0.000 0.515 468 N N 1.430 120.150 118.700 0.033 0.000 2.336 468 N HA -0.057 4.686 4.740 0.005 0.000 0.189 468 N C -0.155 175.366 175.510 0.019 0.000 1.113 468 N CA -0.013 53.057 53.050 0.034 0.000 0.858 468 N CB 0.030 38.560 38.487 0.072 0.000 0.970 468 N HN 0.515 nan 8.380 nan 0.000 0.471 469 E N -0.552 119.656 120.200 0.014 0.000 2.328 469 E HA -0.262 4.091 4.350 0.005 0.000 0.233 469 E C 0.888 177.493 176.600 0.008 0.000 1.219 469 E CA 0.315 56.720 56.400 0.007 0.000 0.717 469 E CB -1.618 28.084 29.700 0.003 0.000 1.210 469 E HN 0.487 nan 8.360 nan 0.000 0.381 470 G N -0.989 107.818 108.800 0.011 0.000 2.257 470 G HA2 -0.408 3.555 3.960 0.005 0.000 0.267 470 G HA3 -0.408 3.555 3.960 0.005 0.000 0.267 470 G C 0.396 175.306 174.900 0.017 0.000 0.984 470 G CA 0.716 45.823 45.100 0.011 0.000 0.626 470 G HN 0.318 nan 8.290 nan 0.000 0.540 471 Q N 0.833 120.644 119.800 0.019 0.000 2.454 471 Q HA 0.351 4.693 4.340 0.005 0.000 0.247 471 Q C -0.427 175.604 176.000 0.052 0.000 1.028 471 Q CA 0.185 56.003 55.803 0.025 0.000 0.910 471 Q CB 0.511 29.257 28.738 0.013 0.000 1.276 471 Q HN 0.402 nan 8.270 nan 0.000 0.489 472 D N 0.635 121.071 120.400 0.060 0.000 2.210 472 D HA 0.217 4.860 4.640 0.005 0.000 0.249 472 D C -1.155 175.253 176.300 0.180 0.000 1.078 472 D CA 0.049 54.104 54.000 0.092 0.000 0.875 472 D CB 0.452 41.289 40.800 0.062 0.000 1.175 472 D HN 0.265 nan 8.370 nan 0.000 0.440 473 Y N 2.829 123.139 120.300 0.018 0.000 2.484 473 Y HA 0.131 4.684 4.550 0.005 0.000 0.348 473 Y C 0.845 176.771 175.900 0.044 0.000 1.103 473 Y CA -0.837 57.281 58.100 0.030 0.000 1.317 473 Y CB 0.536 39.016 38.460 0.034 0.000 1.096 473 Y HN 0.451 nan 8.280 nan 0.000 0.568 474 E N 2.165 122.376 120.200 0.018 0.000 2.169 474 E HA -0.156 4.197 4.350 0.005 0.000 0.202 474 E C 0.879 177.351 176.600 -0.213 0.000 1.016 474 E CA 2.097 58.451 56.400 -0.078 0.000 0.817 474 E CB 0.317 30.007 29.700 -0.016 0.000 0.736 474 E HN 0.568 nan 8.360 nan 0.000 0.462 475 V N 2.098 121.706 119.914 -0.510 0.000 2.270 475 V HA -0.220 3.903 4.120 0.005 0.000 0.245 475 V C 2.582 178.497 176.094 -0.298 0.000 1.043 475 V CA 1.957 64.020 62.300 -0.395 0.000 1.014 475 V CB -0.801 30.779 31.823 -0.406 0.000 0.645 475 V HN 0.365 nan 8.190 nan 0.000 0.447 476 N N -0.315 117.957 118.700 -0.714 0.000 2.396 476 N HA -0.178 4.565 4.740 0.005 0.000 0.180 476 N C 1.902 177.326 175.510 -0.143 0.000 1.028 476 N CA 0.869 53.762 53.050 -0.261 0.000 0.893 476 N CB -0.001 38.429 38.487 -0.093 0.000 0.967 476 N HN 0.410 nan 8.380 nan 0.000 0.440 477 Q N 0.534 120.242 119.800 -0.154 0.000 2.083 477 Q HA -0.066 4.277 4.340 0.005 0.000 0.198 477 Q C 1.872 177.843 176.000 -0.050 0.000 0.969 477 Q CA 1.851 57.613 55.803 -0.068 0.000 0.838 477 Q CB -0.482 28.230 28.738 -0.044 0.000 0.900 477 Q HN 0.608 nan 8.270 nan 0.000 0.436 478 T N -0.748 113.789 114.554 -0.028 0.000 2.812 478 T HA -0.134 4.219 4.350 0.005 0.000 0.264 478 T C 1.998 176.597 174.700 -0.168 0.000 1.042 478 T CA 1.047 63.138 62.100 -0.016 0.000 1.140 478 T CB -0.626 68.331 68.868 0.148 0.000 0.870 478 T HN 0.166 nan 8.240 nan 0.000 0.445 479 L N 1.417 122.504 121.223 -0.226 0.000 2.051 479 L HA -0.142 4.201 4.340 0.005 0.000 0.214 479 L C 2.751 179.525 176.870 -0.161 0.000 1.076 479 L CA 1.809 56.376 54.840 -0.456 0.000 0.758 479 L CB -0.458 41.416 42.059 -0.307 0.000 0.890 479 L HN 0.215 nan 8.230 nan 0.000 0.433 480 R N -0.968 119.521 120.500 -0.019 0.000 2.057 480 R HA -0.094 4.248 4.340 0.005 0.000 0.229 480 R C 2.121 178.459 176.300 0.063 0.000 1.136 480 R CA 1.206 57.385 56.100 0.132 0.000 0.952 480 R CB -0.564 29.747 30.300 0.019 0.000 0.848 480 R HN 0.376 nan 8.270 nan 0.000 0.430 481 E N 1.158 121.345 120.200 -0.021 0.000 2.072 481 E HA -0.267 4.086 4.350 0.005 0.000 0.218 481 E C 1.859 178.415 176.600 -0.073 0.000 1.051 481 E CA 1.758 58.136 56.400 -0.038 0.000 0.880 481 E CB -0.248 29.425 29.700 -0.045 0.000 0.783 481 E HN 0.382 nan 8.360 nan 0.000 0.473 482 R N 0.490 120.906 120.500 -0.139 0.000 2.323 482 R HA 0.045 4.388 4.340 0.005 0.000 0.198 482 R C 0.357 176.509 176.300 -0.247 0.000 0.988 482 R CA 0.092 56.087 56.100 -0.175 0.000 1.041 482 R CB -0.075 30.104 30.300 -0.201 0.000 0.926 482 R HN 0.249 nan 8.270 nan 0.000 0.476 483 Q N 0.182 119.808 119.800 -0.290 0.000 2.460 483 Q HA -0.158 4.185 4.340 0.005 0.000 0.311 483 Q C -0.087 175.517 176.000 -0.661 0.000 1.396 483 Q CA 0.158 55.629 55.803 -0.553 0.000 0.838 483 Q CB -1.180 27.325 28.738 -0.388 0.000 1.140 483 Q HN 0.436 nan 8.270 nan 0.000 0.415 484 L N 0.009 120.855 121.223 -0.627 0.000 2.640 484 L HA 0.173 4.516 4.340 0.005 0.000 0.230 484 L C 0.548 177.122 176.870 -0.493 0.000 1.123 484 L CA -0.303 54.198 54.840 -0.564 0.000 0.900 484 L CB -0.038 41.594 42.059 -0.711 0.000 1.146 484 L HN 0.357 nan 8.230 nan 0.000 0.484 485 Y N -2.381 117.754 120.300 -0.275 0.000 2.374 485 Y HA 0.474 5.027 4.550 0.005 0.000 0.322 485 Y C 0.653 176.489 175.900 -0.107 0.000 1.275 485 Y CA -1.292 56.695 58.100 -0.189 0.000 1.307 485 Y CB -0.171 38.214 38.460 -0.125 0.000 1.282 485 Y HN -0.251 nan 8.280 nan 0.000 0.509 486 T N 3.694 118.371 114.554 0.205 0.000 2.870 486 T HA 0.145 4.498 4.350 0.005 0.000 0.300 486 T C -0.081 174.802 174.700 0.305 0.000 0.989 486 T CA -0.744 61.449 62.100 0.154 0.000 1.139 486 T CB 0.138 69.099 68.868 0.154 0.000 0.920 486 T HN 0.388 nan 8.240 nan 0.000 0.537 487 K N 3.056 123.575 120.400 0.198 0.000 2.098 487 K HA 0.169 4.492 4.320 0.005 0.000 0.257 487 K C 0.982 177.737 176.600 0.259 0.000 0.999 487 K CA -0.679 55.756 56.287 0.246 0.000 0.924 487 K CB 0.593 33.180 32.500 0.145 0.000 1.028 487 K HN 0.598 nan 8.250 nan 0.000 0.466 488 N N 0.815 119.691 118.700 0.293 0.000 2.375 488 N HA -0.033 4.710 4.740 0.005 0.000 0.220 488 N C -0.750 175.033 175.510 0.456 0.000 1.170 488 N CA -0.006 53.308 53.050 0.441 0.000 0.833 488 N CB -0.099 38.610 38.487 0.370 0.000 1.069 488 N HN 0.286 nan 8.380 nan 0.000 0.479 489 D N 0.365 120.947 120.400 0.302 0.000 2.304 489 D HA 0.353 4.996 4.640 0.005 0.000 0.247 489 D C 0.186 176.650 176.300 0.272 0.000 1.089 489 D CA -0.012 54.117 54.000 0.214 0.000 0.910 489 D CB 1.497 42.365 40.800 0.114 0.000 1.199 489 D HN 0.413 nan 8.370 nan 0.000 0.426 490 S N -0.363 115.435 115.700 0.164 0.000 2.596 490 S HA 0.332 4.805 4.470 0.005 0.000 0.270 490 S C 0.442 175.077 174.600 0.058 0.000 1.155 490 S CA -0.872 57.406 58.200 0.129 0.000 0.827 490 S CB 0.772 64.067 63.200 0.157 0.000 1.130 490 S HN 0.320 nan 8.310 nan 0.000 0.467 491 L N 0.930 122.191 121.223 0.064 0.000 2.610 491 L HA 0.121 4.464 4.340 0.005 0.000 0.232 491 L C 1.269 178.189 176.870 0.084 0.000 1.149 491 L CA 1.088 55.982 54.840 0.090 0.000 0.872 491 L CB -0.752 41.400 42.059 0.154 0.000 0.992 491 L HN 1.025 nan 8.230 nan 0.000 0.447 492 T N -5.524 109.049 114.554 0.032 0.000 3.399 492 T HA 0.256 4.609 4.350 0.005 0.000 0.305 492 T C 1.218 175.883 174.700 -0.058 0.000 0.983 492 T CA 0.192 62.298 62.100 0.010 0.000 0.967 492 T CB 0.737 69.613 68.868 0.014 0.000 1.186 492 T HN 0.239 nan 8.240 nan 0.000 0.504 493 G N 2.242 110.997 108.800 -0.075 0.000 2.309 493 G HA2 -0.304 3.659 3.960 0.005 0.000 0.286 493 G HA3 -0.304 3.659 3.960 0.005 0.000 0.286 493 G C 0.226 174.982 174.900 -0.239 0.000 1.002 493 G CA 0.579 45.605 45.100 -0.124 0.000 0.786 493 G HN 0.734 nan 8.290 nan 0.000 0.511 494 T N 0.827 115.167 114.554 -0.356 0.000 2.871 494 T HA 0.260 4.613 4.350 0.005 0.000 0.296 494 T C 0.265 174.492 174.700 -0.787 0.000 0.998 494 T CA 0.279 62.071 62.100 -0.515 0.000 1.162 494 T CB 1.265 69.804 68.868 -0.549 0.000 0.947 494 T HN 0.252 nan 8.240 nan 0.000 0.536 495 D N 1.932 122.033 120.400 -0.498 0.000 2.339 495 D HA 0.168 4.811 4.640 0.005 0.000 0.241 495 D C 0.242 176.317 176.300 -0.374 0.000 1.183 495 D CA -0.539 53.219 54.000 -0.404 0.000 0.859 495 D CB 0.325 41.005 40.800 -0.201 0.000 1.067 495 D HN 0.357 nan 8.370 nan 0.000 0.484 496 F N 2.096 121.967 119.950 -0.131 0.000 2.270 496 F HA 0.244 4.774 4.527 0.004 0.000 0.295 496 F C 1.762 177.447 175.800 -0.191 0.000 1.087 496 F CA 0.723 58.596 58.000 -0.211 0.000 1.365 496 F CB -0.086 38.794 39.000 -0.199 0.000 1.056 496 F HN 0.487 nan 8.300 nan 0.000 0.506 497 G N -0.172 108.630 108.800 0.005 0.000 2.352 497 G HA2 0.410 4.373 3.960 0.005 0.000 0.305 497 G HA3 0.410 4.373 3.960 0.005 0.000 0.305 497 G C -1.996 172.868 174.900 -0.060 0.000 1.537 497 G CA -0.897 44.171 45.100 -0.053 0.000 0.959 497 G HN -0.049 nan 8.290 nan 0.000 0.668 498 M N 0.823 120.387 119.600 -0.060 0.000 2.414 498 M HA 0.774 5.256 4.480 0.005 0.000 0.287 498 M C 0.005 176.273 176.300 -0.054 0.000 1.181 498 M CA -0.297 54.971 55.300 -0.054 0.000 0.933 498 M CB 1.881 34.458 32.600 -0.039 0.000 1.732 498 M HN 1.543 nan 8.290 nan 0.000 0.486 499 T N -1.070 113.452 114.554 -0.053 0.000 2.773 499 T HA 0.626 4.979 4.350 0.005 0.000 0.278 499 T C -0.003 174.675 174.700 -0.038 0.000 1.011 499 T CA -0.436 61.637 62.100 -0.044 0.000 1.014 499 T CB 1.035 69.878 68.868 -0.042 0.000 1.293 499 T HN 0.586 nan 8.240 nan 0.000 0.554 500 D N -0.079 120.303 120.400 -0.031 0.000 2.289 500 D HA 0.078 4.721 4.640 0.005 0.000 0.207 500 D C 1.135 177.418 176.300 -0.028 0.000 0.966 500 D CA 0.656 54.640 54.000 -0.027 0.000 0.868 500 D CB -0.136 40.652 40.800 -0.020 0.000 0.943 500 D HN 0.659 nan 8.370 nan 0.000 0.514 501 D N 0.466 120.848 120.400 -0.029 0.000 2.144 501 D HA 0.076 4.719 4.640 0.005 0.000 0.199 501 D C 1.505 177.774 176.300 -0.052 0.000 0.984 501 D CA 1.289 55.270 54.000 -0.032 0.000 0.834 501 D CB -0.217 40.568 40.800 -0.025 0.000 0.955 501 D HN 0.256 nan 8.370 nan 0.000 0.465 502 G N 0.515 109.275 108.800 -0.066 0.000 2.645 502 G HA2 -0.223 3.740 3.960 0.005 0.000 0.239 502 G HA3 -0.223 3.740 3.960 0.005 0.000 0.239 502 G C -2.408 172.397 174.900 -0.158 0.000 1.331 502 G CA -0.616 44.427 45.100 -0.094 0.000 0.890 502 G HN 0.124 nan 8.290 nan 0.000 0.572 503 P HA 0.245 nan 4.420 nan 0.000 0.275 503 P C 1.231 178.463 177.300 -0.113 0.000 1.270 503 P CA 0.826 63.820 63.100 -0.176 0.000 0.791 503 P CB 0.361 31.905 31.700 -0.260 0.000 1.089 504 S N -1.178 114.489 115.700 -0.054 0.000 2.522 504 S HA -0.066 4.406 4.470 0.005 0.000 0.227 504 S C 0.698 175.302 174.600 0.006 0.000 0.986 504 S CA 0.772 58.958 58.200 -0.022 0.000 0.929 504 S CB -0.768 62.427 63.200 -0.008 0.000 0.769 504 S HN 0.581 nan 8.310 nan 0.000 0.529 505 D N 0.730 121.143 120.400 0.022 0.000 2.804 505 D HA 0.494 5.137 4.640 0.005 0.000 0.308 505 D C -0.286 176.109 176.300 0.158 0.000 1.371 505 D CA -0.429 53.631 54.000 0.099 0.000 0.823 505 D CB 0.190 41.067 40.800 0.129 0.000 1.126 505 D HN 0.342 nan 8.370 nan 0.000 0.467 506 A N 0.449 123.290 122.820 0.036 0.000 2.356 506 A HA 0.482 4.805 4.320 0.005 0.000 0.310 506 A C -1.393 176.256 177.584 0.109 0.000 1.075 506 A CA -0.972 51.073 52.037 0.013 0.000 0.746 506 A CB 1.155 19.878 19.000 -0.461 0.000 1.221 506 A HN 0.272 nan 8.150 nan 0.000 0.443 507 Y N 2.930 123.296 120.300 0.109 0.000 2.569 507 Y HA 0.451 5.003 4.550 0.005 0.000 0.332 507 Y C -0.398 175.567 175.900 0.109 0.000 1.120 507 Y CA 0.398 58.567 58.100 0.115 0.000 1.416 507 Y CB 0.150 38.675 38.460 0.108 0.000 1.210 507 Y HN 0.487 nan 8.280 nan 0.000 0.528 508 I N 7.521 127.982 120.570 -0.181 0.000 2.390 508 I HA 0.373 4.545 4.170 0.005 0.000 0.283 508 I C 0.620 176.675 176.117 -0.102 0.000 1.016 508 I CA -0.479 60.793 61.300 -0.047 0.000 1.151 508 I CB 1.040 38.994 38.000 -0.077 0.000 1.293 508 I HN 0.792 nan 8.210 nan 0.000 0.458 509 G N 3.480 112.449 108.800 0.281 0.000 2.531 509 G HA2 0.444 4.407 3.960 0.005 0.000 0.313 509 G HA3 0.444 4.407 3.960 0.005 0.000 0.313 509 G C -1.464 173.617 174.900 0.303 0.000 1.238 509 G CA -0.192 45.096 45.100 0.313 0.000 0.994 509 G HN 0.578 nan 8.290 nan 0.000 0.493 510 H N -1.506 117.654 119.070 0.150 0.000 2.690 510 H HA 0.619 5.178 4.556 0.005 0.000 0.368 510 H C -1.199 174.225 175.328 0.160 0.000 1.150 510 H CA -0.717 55.397 56.048 0.109 0.000 1.174 510 H CB 1.926 31.690 29.762 0.004 0.000 1.684 510 H HN 0.432 nan 8.280 nan 0.000 0.538 511 L N 3.184 124.197 121.223 -0.350 0.000 2.322 511 L HA 0.473 4.816 4.340 0.005 0.000 0.281 511 L C -1.286 175.247 176.870 -0.562 0.000 1.014 511 L CA -0.342 54.224 54.840 -0.456 0.000 0.815 511 L CB 1.561 43.248 42.059 -0.621 0.000 1.247 511 L HN 0.712 nan 8.230 nan 0.000 0.421 512 D N 3.078 123.191 120.400 -0.479 0.000 2.358 512 D HA 0.239 4.882 4.640 0.005 0.000 0.253 512 D C -0.924 175.244 176.300 -0.220 0.000 1.288 512 D CA -0.039 53.809 54.000 -0.253 0.000 0.950 512 D CB 0.469 41.243 40.800 -0.043 0.000 1.197 512 D HN 0.463 nan 8.370 nan 0.000 0.550 513 Y N 2.182 122.493 120.300 0.020 0.000 2.596 513 Y HA 0.410 4.962 4.550 0.004 0.000 0.316 513 Y C 1.667 177.738 175.900 0.285 0.000 1.156 513 Y CA 0.220 58.414 58.100 0.156 0.000 1.300 513 Y CB 0.145 38.738 38.460 0.222 0.000 1.130 513 Y HN 0.566 nan 8.280 nan 0.000 0.518 514 G N 0.041 108.997 108.800 0.259 0.000 2.939 514 G HA2 0.013 3.976 3.960 0.005 0.000 0.278 514 G HA3 0.013 3.976 3.960 0.005 0.000 0.278 514 G C 0.827 175.929 174.900 0.336 0.000 1.487 514 G CA -0.061 45.174 45.100 0.225 0.000 0.935 514 G HN 1.218 nan 8.290 nan 0.000 0.553 515 G N -1.354 107.611 108.800 0.275 0.000 2.225 515 G HA2 0.331 4.294 3.960 0.005 0.000 0.267 515 G HA3 0.331 4.294 3.960 0.005 0.000 0.267 515 G C 2.009 176.936 174.900 0.044 0.000 1.024 515 G CA 0.894 46.092 45.100 0.163 0.000 0.784 515 G HN 3.148 nan 8.290 nan 0.000 0.507 516 G N -3.033 105.812 108.800 0.075 0.000 2.199 516 G HA2 -0.082 3.880 3.960 0.005 0.000 0.254 516 G HA3 -0.082 3.880 3.960 0.005 0.000 0.254 516 G C 0.468 175.403 174.900 0.059 0.000 0.982 516 G CA 0.495 45.625 45.100 0.050 0.000 0.632 516 G HN 1.641 nan 8.290 nan 0.000 0.529 517 V N 2.506 122.475 119.914 0.092 0.000 2.339 517 V HA 0.586 4.709 4.120 0.005 0.000 0.261 517 V C 0.346 176.532 176.094 0.153 0.000 1.058 517 V CA 0.687 63.060 62.300 0.122 0.000 0.897 517 V CB 0.464 32.386 31.823 0.165 0.000 1.052 517 V HN 0.672 nan 8.190 nan 0.000 0.480 518 E N 4.295 124.541 120.200 0.078 0.000 2.447 518 E HA 0.826 5.179 4.350 0.005 0.000 0.279 518 E C -1.192 175.358 176.600 -0.083 0.000 1.053 518 E CA -1.013 55.364 56.400 -0.039 0.000 0.840 518 E CB 2.236 31.946 29.700 0.016 0.000 1.409 518 E HN 0.643 nan 8.360 nan 0.000 0.461 519 C N -0.606 118.500 119.300 -0.324 0.000 3.275 519 C HA 0.497 4.960 4.460 0.005 0.000 0.345 519 C C -1.329 173.540 174.990 -0.202 0.000 1.257 519 C CA -1.010 57.929 59.018 -0.131 0.000 1.203 519 C CB 0.638 28.344 27.740 -0.057 0.000 1.492 519 C HN 0.796 nan 8.230 nan 0.000 0.484 520 D N 1.019 121.510 120.400 0.151 0.000 2.360 520 D HA 0.682 5.325 4.640 0.005 0.000 0.242 520 D C 0.293 176.631 176.300 0.062 0.000 1.184 520 D CA 0.983 55.111 54.000 0.213 0.000 0.930 520 D CB 1.423 42.308 40.800 0.143 0.000 1.161 520 D HN 1.290 nan 8.370 nan 0.000 0.447 521 A N 0.523 123.351 122.820 0.013 0.000 2.604 521 A HA 0.589 4.912 4.320 0.005 0.000 0.295 521 A C -1.166 176.187 177.584 -0.385 0.000 1.067 521 A CA -0.703 51.219 52.037 -0.192 0.000 0.683 521 A CB 0.905 19.758 19.000 -0.245 0.000 1.281 521 A HN 0.421 nan 8.150 nan 0.000 0.407 522 L N -0.086 120.870 121.223 -0.446 0.000 2.376 522 L HA 0.780 5.123 4.340 0.005 0.000 0.267 522 L C -1.035 175.347 176.870 -0.813 0.000 1.035 522 L CA -0.589 54.022 54.840 -0.382 0.000 0.800 522 L CB 1.238 43.196 42.059 -0.167 0.000 1.290 522 L HN 0.728 nan 8.230 nan 0.000 0.462 523 F N -0.726 119.203 119.950 -0.035 0.000 2.591 523 F HA 0.422 4.951 4.527 0.004 0.000 0.309 523 F C -2.381 173.349 175.800 -0.116 0.000 1.098 523 F CA -2.262 55.689 58.000 -0.082 0.000 0.937 523 F CB 1.358 40.274 39.000 -0.139 0.000 1.250 523 F HN 0.137 nan 8.300 nan 0.000 0.447 524 P HA 0.037 nan 4.420 nan 0.000 0.268 524 P C -0.704 176.163 177.300 -0.721 0.000 1.205 524 P CA 0.041 62.778 63.100 -0.605 0.000 0.771 524 P CB 0.637 31.580 31.700 -1.262 0.000 0.858 525 D N 2.109 122.175 120.400 -0.557 0.000 2.638 525 D HA 0.112 4.755 4.640 0.005 0.000 0.245 525 D C 0.475 176.571 176.300 -0.340 0.000 1.176 525 D CA -0.452 53.324 54.000 -0.374 0.000 0.996 525 D CB -0.493 40.164 40.800 -0.238 0.000 1.012 525 D HN 0.265 nan 8.370 nan 0.000 0.515 526 W N 2.035 123.260 121.300 -0.124 0.000 2.276 526 W HA -0.224 4.439 4.660 0.004 0.000 0.307 526 W C 2.382 178.835 176.519 -0.109 0.000 1.240 526 W CA 1.030 58.291 57.345 -0.139 0.000 1.249 526 W CB -0.773 28.546 29.460 -0.234 0.000 1.140 526 W HN 0.408 nan 8.180 nan 0.000 0.519 527 G N 0.793 109.646 108.800 0.088 0.000 2.529 527 G HA2 -0.249 3.714 3.960 0.005 0.000 0.219 527 G HA3 -0.249 3.714 3.960 0.005 0.000 0.219 527 G C 0.859 175.765 174.900 0.010 0.000 1.177 527 G CA 0.433 45.550 45.100 0.029 0.000 0.773 527 G HN 0.129 nan 8.290 nan 0.000 0.573 528 R N 1.534 122.012 120.500 -0.037 0.000 2.566 528 R HA 0.090 4.433 4.340 0.005 0.000 0.273 528 R C -2.179 174.112 176.300 -0.015 0.000 0.981 528 R CA -0.839 55.230 56.100 -0.052 0.000 1.091 528 R CB -0.087 30.143 30.300 -0.116 0.000 0.924 528 R HN 0.257 nan 8.270 nan 0.000 0.411 529 P HA -0.038 nan 4.420 nan 0.000 0.274 529 P C -0.165 177.141 177.300 0.009 0.000 1.231 529 P CA 0.058 63.166 63.100 0.014 0.000 0.790 529 P CB 0.818 32.525 31.700 0.011 0.000 0.951 530 D N -0.499 119.926 120.400 0.041 0.000 2.001 530 D HA -0.153 4.490 4.640 0.005 0.000 0.175 530 D C 1.461 177.828 176.300 0.111 0.000 1.313 530 D CA 1.109 55.144 54.000 0.059 0.000 1.259 530 D CB -1.158 39.654 40.800 0.019 0.000 1.284 530 D HN 0.113 nan 8.370 nan 0.000 0.549 531 V N 1.556 121.516 119.914 0.077 0.000 2.220 531 V HA -0.268 3.855 4.120 0.005 0.000 0.246 531 V C 2.816 179.090 176.094 0.299 0.000 1.049 531 V CA 3.138 65.505 62.300 0.112 0.000 1.003 531 V CB -0.850 30.939 31.823 -0.058 0.000 0.634 531 V HN 0.468 nan 8.190 nan 0.000 0.444 532 A N -0.409 122.578 122.820 0.278 0.000 1.958 532 A HA -0.338 3.985 4.320 0.005 0.000 0.221 532 A C 2.145 179.924 177.584 0.324 0.000 1.178 532 A CA 2.471 54.723 52.037 0.358 0.000 0.642 532 A CB -0.604 18.535 19.000 0.233 0.000 0.816 532 A HN 0.643 nan 8.150 nan 0.000 0.453 533 E N -0.917 119.421 120.200 0.230 0.000 2.017 533 E HA -0.238 4.114 4.350 0.005 0.000 0.193 533 E C 1.718 178.424 176.600 0.176 0.000 0.997 533 E CA 1.870 58.369 56.400 0.166 0.000 0.804 533 E CB -0.572 29.205 29.700 0.129 0.000 0.757 533 E HN 0.732 nan 8.360 nan 0.000 0.448 534 W N 0.811 122.143 121.300 0.054 0.000 2.321 534 W HA -0.227 4.435 4.660 0.004 0.000 0.306 534 W C 2.091 178.635 176.519 0.042 0.000 1.217 534 W CA 2.179 59.534 57.345 0.017 0.000 1.257 534 W CB -0.688 28.769 29.460 -0.005 0.000 1.145 534 W HN 0.349 nan 8.180 nan 0.000 0.509 535 W N 1.704 122.840 121.300 -0.273 0.000 2.353 535 W HA -0.111 4.552 4.660 0.005 0.000 0.319 535 W C 2.143 178.464 176.519 -0.331 0.000 1.207 535 W CA 2.554 59.552 57.345 -0.578 0.000 1.291 535 W CB -1.194 28.312 29.460 0.076 0.000 1.159 535 W HN 0.055 nan 8.180 nan 0.000 0.478 536 G N 1.497 110.241 108.800 -0.093 0.000 2.513 536 G HA2 -0.408 3.554 3.960 0.005 0.000 0.219 536 G HA3 -0.408 3.554 3.960 0.005 0.000 0.219 536 G C 1.332 176.059 174.900 -0.287 0.000 1.160 536 G CA 1.488 46.469 45.100 -0.198 0.000 0.767 536 G HN 0.281 nan 8.290 nan 0.000 0.571 537 N N 1.297 119.818 118.700 -0.299 0.000 2.258 537 N HA -0.096 4.647 4.740 0.005 0.000 0.187 537 N C 1.972 177.190 175.510 -0.488 0.000 1.012 537 N CA 0.923 53.788 53.050 -0.307 0.000 0.870 537 N CB -0.390 37.957 38.487 -0.234 0.000 0.977 537 N HN 0.279 nan 8.380 nan 0.000 0.434 538 N N 0.157 118.352 118.700 -0.842 0.000 2.205 538 N HA -0.148 4.595 4.740 0.005 0.000 0.186 538 N C 1.283 176.140 175.510 -1.089 0.000 1.015 538 N CA 0.680 52.993 53.050 -1.229 0.000 0.862 538 N CB -0.479 36.656 38.487 -2.254 0.000 0.986 538 N HN 0.457 nan 8.380 nan 0.000 0.429 539 Y N 1.242 120.977 120.300 -0.942 0.000 2.569 539 Y HA -0.070 4.483 4.550 0.005 0.000 0.293 539 Y C 2.147 177.550 175.900 -0.829 0.000 1.144 539 Y CA 0.751 58.349 58.100 -0.837 0.000 1.321 539 Y CB 0.024 37.928 38.460 -0.927 0.000 0.982 539 Y HN 0.014 nan 8.280 nan 0.000 0.558 540 K N 0.171 120.351 120.400 -0.366 0.000 2.209 540 K HA -0.175 4.148 4.320 0.005 0.000 0.204 540 K C 1.670 178.199 176.600 -0.119 0.000 1.048 540 K CA 1.233 57.425 56.287 -0.159 0.000 0.940 540 K CB 0.009 32.447 32.500 -0.104 0.000 0.729 540 K HN 0.308 nan 8.250 nan 0.000 0.451 541 K N 0.106 120.389 120.400 -0.194 0.000 2.228 541 K HA 0.004 4.327 4.320 0.005 0.000 0.202 541 K C 1.780 178.377 176.600 -0.005 0.000 1.051 541 K CA 0.670 56.911 56.287 -0.076 0.000 0.960 541 K CB 0.216 32.660 32.500 -0.095 0.000 0.743 541 K HN 0.052 nan 8.250 nan 0.000 0.458 542 L N -0.670 120.495 121.223 -0.098 0.000 2.145 542 L HA 0.023 4.366 4.340 0.005 0.000 0.201 542 L C 1.854 178.760 176.870 0.060 0.000 1.075 542 L CA 0.446 55.254 54.840 -0.054 0.000 0.773 542 L CB -0.289 41.651 42.059 -0.198 0.000 0.936 542 L HN 0.015 nan 8.230 nan 0.000 0.451 543 F N 0.941 120.895 119.950 0.006 0.000 2.126 543 F HA -0.213 4.317 4.527 0.005 0.000 0.299 543 F C 2.942 178.776 175.800 0.057 0.000 1.096 543 F CA 1.285 59.301 58.000 0.026 0.000 1.255 543 F CB -1.439 37.598 39.000 0.062 0.000 0.997 543 F HN 0.155 nan 8.300 nan 0.000 0.479 544 S N 0.507 116.357 115.700 0.250 0.000 2.595 544 S HA -0.062 4.411 4.470 0.005 0.000 0.235 544 S C 1.215 175.935 174.600 0.201 0.000 0.974 544 S CA 0.689 59.005 58.200 0.193 0.000 0.942 544 S CB -1.358 61.927 63.200 0.142 0.000 0.766 544 S HN 0.570 nan 8.310 nan 0.000 0.536 545 I N -4.308 116.390 120.570 0.215 0.000 3.947 545 I HA 0.671 4.844 4.170 0.005 0.000 0.327 545 I C 1.010 177.270 176.117 0.239 0.000 1.519 545 I CA -0.064 61.378 61.300 0.237 0.000 1.122 545 I CB 0.246 38.414 38.000 0.279 0.000 1.146 545 I HN 0.249 nan 8.210 nan 0.000 0.442 546 G N 1.660 110.589 108.800 0.215 0.000 2.211 546 G HA2 -0.224 3.739 3.960 0.005 0.000 0.201 546 G HA3 -0.224 3.739 3.960 0.005 0.000 0.201 546 G C -0.098 174.817 174.900 0.026 0.000 0.997 546 G CA -0.059 45.184 45.100 0.238 0.000 0.652 546 G HN 0.346 nan 8.290 nan 0.000 0.500 547 L N 1.990 123.039 121.223 -0.290 0.000 2.578 547 L HA 0.336 4.679 4.340 0.005 0.000 0.279 547 L C 1.058 177.915 176.870 -0.022 0.000 1.227 547 L CA 1.158 55.650 54.840 -0.581 0.000 0.900 547 L CB 0.466 42.233 42.059 -0.488 0.000 1.144 547 L HN 0.239 nan 8.230 nan 0.000 0.496 548 D N 4.446 124.871 120.400 0.043 0.000 2.468 548 D HA 0.116 4.758 4.640 0.005 0.000 0.243 548 D C 0.141 176.672 176.300 0.384 0.000 0.994 548 D CA 1.453 55.600 54.000 0.245 0.000 0.932 548 D CB 0.233 41.185 40.800 0.254 0.000 1.078 548 D HN 0.513 nan 8.370 nan 0.000 0.473 549 F N -1.063 118.937 119.950 0.084 0.000 2.950 549 F HA 0.604 5.134 4.527 0.005 0.000 0.327 549 F C -1.384 174.508 175.800 0.153 0.000 1.197 549 F CA -1.316 56.771 58.000 0.144 0.000 0.954 549 F CB 1.344 40.450 39.000 0.176 0.000 1.442 549 F HN -0.412 nan 8.300 nan 0.000 0.509 550 V N 1.107 121.032 119.914 0.018 0.000 2.448 550 V HA 0.165 4.288 4.120 0.005 0.000 0.295 550 V C -1.574 174.467 176.094 -0.088 0.000 1.025 550 V CA -0.354 61.963 62.300 0.027 0.000 0.859 550 V CB 1.502 33.465 31.823 0.235 0.000 0.988 550 V HN 0.761 nan 8.190 nan 0.000 0.431 551 W N 5.335 126.449 121.300 -0.311 0.000 2.253 551 W HA 0.557 5.220 4.660 0.005 0.000 0.348 551 W C -0.121 176.314 176.519 -0.140 0.000 0.920 551 W CA -1.452 55.685 57.345 -0.346 0.000 1.518 551 W CB 0.718 29.894 29.460 -0.473 0.000 1.446 551 W HN 0.632 nan 8.180 nan 0.000 0.361 552 Q N 3.845 123.784 119.800 0.233 0.000 2.295 552 Q HA 0.200 4.543 4.340 0.005 0.000 0.259 552 Q C -0.714 175.432 176.000 0.244 0.000 0.976 552 Q CA 0.758 56.673 55.803 0.187 0.000 0.923 552 Q CB 0.735 29.580 28.738 0.178 0.000 1.185 552 Q HN 0.403 nan 8.270 nan 0.000 0.410 553 D N 2.173 122.624 120.400 0.086 0.000 2.566 553 D HA 0.350 4.992 4.640 0.005 0.000 0.254 553 D C -0.379 175.961 176.300 0.066 0.000 1.090 553 D CA -0.390 53.653 54.000 0.073 0.000 1.034 553 D CB 0.943 41.616 40.800 -0.211 0.000 1.434 553 D HN 0.548 nan 8.370 nan 0.000 0.509 554 M N 0.661 120.278 119.600 0.028 0.000 2.217 554 M HA -0.174 4.309 4.480 0.005 0.000 0.187 554 M C 0.890 177.278 176.300 0.146 0.000 0.642 554 M CA 0.866 56.193 55.300 0.045 0.000 0.450 554 M CB -2.950 29.620 32.600 -0.050 0.000 1.039 554 M HN 0.531 nan 8.290 nan 0.000 0.916 555 T N -4.769 109.840 114.554 0.091 0.000 3.057 555 T HA 0.180 4.532 4.350 0.005 0.000 0.254 555 T C 1.646 176.378 174.700 0.053 0.000 1.094 555 T CA 0.581 62.748 62.100 0.112 0.000 1.088 555 T CB 0.089 69.010 68.868 0.087 0.000 0.934 555 T HN 0.313 nan 8.240 nan 0.000 0.497 556 V N 2.393 122.293 119.914 -0.024 0.000 2.278 556 V HA -0.047 4.076 4.120 0.005 0.000 0.251 556 V C -1.255 174.594 176.094 -0.408 0.000 1.062 556 V CA 1.286 63.502 62.300 -0.140 0.000 1.038 556 V CB -1.824 29.900 31.823 -0.165 0.000 0.646 556 V HN 0.508 nan 8.190 nan 0.000 0.447 557 P HA 0.259 nan 4.420 nan 0.000 0.275 557 P C -0.778 176.433 177.300 -0.148 0.000 1.228 557 P CA 0.117 63.042 63.100 -0.293 0.000 0.786 557 P CB 1.061 32.426 31.700 -0.558 0.000 0.927 558 A N 4.792 127.658 122.820 0.077 0.000 2.666 558 A HA 0.377 4.700 4.320 0.005 0.000 0.312 558 A C 0.693 178.310 177.584 0.056 0.000 1.471 558 A CA -0.405 51.623 52.037 -0.014 0.000 1.134 558 A CB -0.808 18.168 19.000 -0.041 0.000 1.129 558 A HN 0.463 nan 8.150 nan 0.000 0.539 559 M N 1.381 120.968 119.600 -0.021 0.000 2.310 559 M HA 0.423 4.906 4.480 0.005 0.000 0.241 559 M C 0.558 176.840 176.300 -0.029 0.000 1.162 559 M CA -0.245 55.080 55.300 0.041 0.000 0.958 559 M CB 0.570 33.147 32.600 -0.039 0.000 1.348 559 M HN 0.645 nan 8.290 nan 0.000 0.541 560 M N 2.421 122.040 119.600 0.033 0.000 2.277 560 M HA 0.324 4.807 4.480 0.005 0.000 0.350 560 M C -2.221 174.118 176.300 0.066 0.000 1.180 560 M CA -1.774 53.564 55.300 0.062 0.000 1.103 560 M CB 1.287 33.980 32.600 0.156 0.000 1.577 560 M HN 0.145 nan 8.290 nan 0.000 0.459 561 P HA -0.019 nan 4.420 nan 0.000 0.263 561 P C -1.462 175.982 177.300 0.241 0.000 1.195 561 P CA 0.758 63.930 63.100 0.119 0.000 0.762 561 P CB 0.087 31.971 31.700 0.308 0.000 0.799 562 H N 2.109 121.222 119.070 0.070 0.000 2.974 562 H HA 0.361 4.920 4.556 0.004 0.000 0.366 562 H C -1.405 174.095 175.328 0.287 0.000 1.155 562 H CA -0.830 55.314 56.048 0.161 0.000 1.186 562 H CB 2.336 32.181 29.762 0.138 0.000 1.799 562 H HN 0.325 nan 8.280 nan 0.000 0.541 563 K N 5.180 125.284 120.400 -0.494 0.000 2.207 563 K HA 0.296 4.619 4.320 0.005 0.000 0.255 563 K C -0.174 176.131 176.600 -0.492 0.000 0.941 563 K CA -0.833 55.295 56.287 -0.265 0.000 0.825 563 K CB 1.138 33.436 32.500 -0.336 0.000 1.119 563 K HN 0.393 nan 8.250 nan 0.000 0.430 564 I N 3.659 124.127 120.570 -0.169 0.000 2.752 564 I HA -0.026 4.146 4.170 0.005 0.000 0.289 564 I C 1.455 177.482 176.117 -0.151 0.000 1.197 564 I CA 1.669 62.869 61.300 -0.166 0.000 1.432 564 I CB -0.254 37.667 38.000 -0.131 0.000 1.359 564 I HN 1.141 nan 8.210 nan 0.000 0.571 565 G N 5.868 114.605 108.800 -0.105 0.000 2.850 565 G HA2 -0.201 3.761 3.960 0.005 0.000 0.207 565 G HA3 -0.201 3.761 3.960 0.005 0.000 0.207 565 G C 0.115 174.981 174.900 -0.056 0.000 1.302 565 G CA -0.249 44.802 45.100 -0.082 0.000 0.832 565 G HN 0.506 nan 8.290 nan 0.000 0.543 566 D N 2.979 123.320 120.400 -0.099 0.000 2.443 566 D HA 0.366 5.009 4.640 0.005 0.000 0.234 566 D C 0.453 176.841 176.300 0.146 0.000 1.172 566 D CA 0.315 54.297 54.000 -0.031 0.000 0.878 566 D CB 0.347 41.083 40.800 -0.107 0.000 1.204 566 D HN 0.327 nan 8.370 nan 0.000 0.453 567 D N 0.749 121.205 120.400 0.093 0.000 2.399 567 D HA 0.024 4.666 4.640 0.005 0.000 0.241 567 D C 1.704 178.045 176.300 0.069 0.000 1.133 567 D CA -0.214 53.824 54.000 0.064 0.000 0.890 567 D CB 0.777 41.571 40.800 -0.011 0.000 1.201 567 D HN 0.285 nan 8.370 nan 0.000 0.432 568 I N 1.374 121.875 120.570 -0.114 0.000 2.248 568 I HA -0.351 3.821 4.170 0.005 0.000 0.248 568 I C 1.631 177.514 176.117 -0.391 0.000 1.107 568 I CA 1.349 62.419 61.300 -0.382 0.000 1.373 568 I CB -0.471 37.361 38.000 -0.280 0.000 1.055 568 I HN 0.393 nan 8.210 nan 0.000 0.418 569 N N 0.471 118.945 118.700 -0.376 0.000 2.398 569 N HA 0.028 4.771 4.740 0.005 0.000 0.188 569 N C -0.013 175.357 175.510 -0.232 0.000 1.122 569 N CA 0.049 52.735 53.050 -0.606 0.000 0.866 569 N CB -0.108 38.072 38.487 -0.512 0.000 0.970 569 N HN 0.081 nan 8.380 nan 0.000 0.462 570 V N 0.394 120.272 119.914 -0.059 0.000 2.612 570 V HA 0.390 4.513 4.120 0.005 0.000 0.301 570 V C -0.011 176.167 176.094 0.140 0.000 1.046 570 V CA -1.078 61.246 62.300 0.042 0.000 0.946 570 V CB 1.391 33.239 31.823 0.041 0.000 1.003 570 V HN 0.386 nan 8.190 nan 0.000 0.459 571 K N 3.538 124.007 120.400 0.114 0.000 2.378 571 K HA 0.717 5.040 4.320 0.005 0.000 0.252 571 K C -2.915 173.745 176.600 0.099 0.000 0.931 571 K CA -1.772 54.605 56.287 0.150 0.000 0.794 571 K CB 1.961 34.562 32.500 0.169 0.000 1.181 571 K HN 0.439 nan 8.250 nan 0.000 0.425 572 P HA -0.102 nan 4.420 nan 0.000 0.270 572 P C -0.539 176.817 177.300 0.093 0.000 1.227 572 P CA -0.092 63.008 63.100 -0.000 0.000 0.788 572 P CB 0.426 32.136 31.700 0.016 0.000 0.926 573 D N 0.118 120.549 120.400 0.052 0.000 2.703 573 D HA -0.099 4.543 4.640 0.005 0.000 0.225 573 D C 1.599 178.026 176.300 0.211 0.000 1.119 573 D CA 0.900 54.976 54.000 0.127 0.000 0.845 573 D CB 0.500 41.386 40.800 0.144 0.000 1.182 573 D HN 0.510 nan 8.370 nan 0.000 0.493 574 G N 3.458 112.363 108.800 0.175 0.000 2.501 574 G HA2 -0.286 3.677 3.960 0.005 0.000 0.220 574 G HA3 -0.286 3.677 3.960 0.005 0.000 0.220 574 G C 1.323 176.393 174.900 0.284 0.000 1.114 574 G CA 0.418 45.639 45.100 0.202 0.000 0.757 574 G HN 0.541 nan 8.290 nan 0.000 0.559 575 N N -1.615 117.256 118.700 0.285 0.000 2.205 575 N HA 0.095 4.838 4.740 0.005 0.000 0.201 575 N C -0.521 175.167 175.510 0.295 0.000 1.128 575 N CA -0.757 52.517 53.050 0.374 0.000 0.867 575 N CB 0.174 38.838 38.487 0.296 0.000 0.996 575 N HN 0.414 nan 8.380 nan 0.000 0.503 576 W N 2.217 123.543 121.300 0.042 0.000 2.573 576 W HA 0.556 5.218 4.660 0.004 0.000 0.326 576 W C -2.455 173.876 176.519 -0.312 0.000 1.049 576 W CA -1.855 55.435 57.345 -0.092 0.000 1.220 576 W CB 1.363 30.776 29.460 -0.079 0.000 1.373 576 W HN -0.088 nan 8.180 nan 0.000 0.507 577 P HA 0.407 nan 4.420 nan 0.000 0.282 577 P C -1.447 175.413 177.300 -0.733 0.000 1.287 577 P CA -0.178 61.856 63.100 -1.777 0.000 0.792 577 P CB 1.856 32.340 31.700 -2.027 0.000 1.163 578 N N -2.833 115.525 118.700 -0.570 0.000 3.517 578 N HA 0.424 5.167 4.740 0.005 0.000 0.329 578 N C 0.464 175.827 175.510 -0.244 0.000 1.569 578 N CA -0.498 52.371 53.050 -0.301 0.000 0.852 578 N CB -0.637 37.749 38.487 -0.169 0.000 1.955 578 N HN 0.197 nan 8.380 nan 0.000 0.555 579 A N -0.749 121.923 122.820 -0.247 0.000 1.872 579 A HA -0.005 4.318 4.320 0.005 0.000 0.214 579 A C 0.909 178.454 177.584 -0.065 0.000 1.187 579 A CA 1.727 53.616 52.037 -0.247 0.000 0.614 579 A CB -0.770 17.846 19.000 -0.639 0.000 0.826 579 A HN 0.666 nan 8.150 nan 0.000 0.442 580 D N -0.562 119.847 120.400 0.016 0.000 2.348 580 D HA 0.048 4.691 4.640 0.005 0.000 0.211 580 D C -0.328 176.009 176.300 0.063 0.000 0.998 580 D CA 0.585 54.633 54.000 0.080 0.000 0.873 580 D CB 0.246 41.123 40.800 0.127 0.000 0.925 580 D HN 0.317 nan 8.370 nan 0.000 0.524 581 D N 0.662 121.078 120.400 0.026 0.000 2.378 581 D HA 0.170 4.813 4.640 0.005 0.000 0.265 581 D C -2.525 173.709 176.300 -0.110 0.000 1.229 581 D CA -2.043 51.993 54.000 0.060 0.000 0.914 581 D CB 2.104 43.025 40.800 0.200 0.000 1.140 581 D HN -0.083 nan 8.370 nan 0.000 0.516 582 P HA 0.079 nan 4.420 nan 0.000 0.302 582 P C 0.806 177.996 177.300 -0.185 0.000 1.301 582 P CA -0.257 62.768 63.100 -0.124 0.000 0.745 582 P CB 0.914 32.621 31.700 0.011 0.000 1.331 583 S N -1.054 114.585 115.700 -0.101 0.000 2.406 583 S HA -0.059 4.414 4.470 0.005 0.000 0.224 583 S C 0.635 175.368 174.600 0.222 0.000 1.030 583 S CA 0.530 58.729 58.200 -0.002 0.000 0.958 583 S CB -1.306 61.974 63.200 0.133 0.000 0.811 583 S HN 0.417 nan 8.310 nan 0.000 0.489 584 N N 1.186 120.011 118.700 0.208 0.000 2.701 584 N HA -0.185 4.558 4.740 0.005 0.000 0.250 584 N C 0.611 176.268 175.510 0.245 0.000 1.046 584 N CA 1.280 54.457 53.050 0.212 0.000 0.733 584 N CB -1.953 36.638 38.487 0.173 0.000 0.973 584 N HN 0.844 nan 8.380 nan 0.000 0.541 585 G N -1.450 107.536 108.800 0.311 0.000 2.147 585 G HA2 -0.361 3.602 3.960 0.005 0.000 0.244 585 G HA3 -0.361 3.602 3.960 0.005 0.000 0.244 585 G C 0.707 175.785 174.900 0.296 0.000 1.005 585 G CA 0.719 46.012 45.100 0.322 0.000 0.713 585 G HN 0.581 nan 8.290 nan 0.000 0.515 586 Q N -1.928 118.080 119.800 0.348 0.000 2.390 586 Q HA 0.243 4.586 4.340 0.005 0.000 0.216 586 Q C 1.009 177.309 176.000 0.500 0.000 0.916 586 Q CA 0.128 56.143 55.803 0.352 0.000 0.911 586 Q CB 0.600 29.554 28.738 0.361 0.000 1.035 586 Q HN 0.516 nan 8.270 nan 0.000 0.541 587 Y N 2.803 123.287 120.300 0.306 0.000 2.300 587 Y HA 0.027 4.580 4.550 0.005 0.000 0.328 587 Y C 0.872 176.778 175.900 0.010 0.000 1.270 587 Y CA -0.573 57.583 58.100 0.093 0.000 1.352 587 Y CB 0.657 38.837 38.460 -0.466 0.000 1.286 587 Y HN 0.133 nan 8.280 nan 0.000 0.536 588 N N 0.810 119.117 118.700 -0.656 0.000 2.220 588 N HA -0.039 4.704 4.740 0.005 0.000 0.195 588 N C -0.799 174.457 175.510 -0.423 0.000 1.123 588 N CA -0.139 52.519 53.050 -0.653 0.000 0.874 588 N CB -0.497 37.347 38.487 -1.071 0.000 0.995 588 N HN 0.689 nan 8.380 nan 0.000 0.498 589 W N 2.755 123.570 121.300 -0.808 0.000 6.190 589 W HA -0.234 4.430 4.660 0.006 0.000 0.423 589 W C -0.402 175.883 176.519 -0.391 0.000 1.680 589 W CA 0.250 57.435 57.345 -0.266 0.000 1.036 589 W CB -2.208 27.434 29.460 0.305 0.000 2.908 589 W HN 0.086 nan 8.180 nan 0.000 1.429 590 K N -1.260 118.918 120.400 -0.370 0.000 3.602 590 K HA -0.228 4.095 4.320 0.005 0.000 0.274 590 K C 0.404 176.799 176.600 -0.342 0.000 0.864 590 K CA 1.374 57.453 56.287 -0.347 0.000 0.682 590 K CB -1.087 31.183 32.500 -0.382 0.000 1.576 590 K HN 0.483 nan 8.250 nan 0.000 0.447 591 T N -1.495 112.880 114.554 -0.299 0.000 2.669 591 T HA 0.188 4.541 4.350 0.005 0.000 0.302 591 T C -1.418 173.084 174.700 -0.331 0.000 1.659 591 T CA -0.848 61.060 62.100 -0.319 0.000 0.979 591 T CB 0.271 68.968 68.868 -0.285 0.000 1.895 591 T HN 0.163 nan 8.240 nan 0.000 0.466 592 Y N 2.812 122.833 120.300 -0.464 0.000 2.895 592 Y HA 0.094 4.647 4.550 0.005 0.000 0.334 592 Y C 1.470 177.200 175.900 -0.285 0.000 1.261 592 Y CA 0.647 58.415 58.100 -0.553 0.000 1.560 592 Y CB 0.062 38.124 38.460 -0.663 0.000 1.253 592 Y HN 0.398 nan 8.280 nan 0.000 0.582 593 H N 6.820 125.955 119.070 0.109 0.000 3.107 593 H HA -0.037 4.522 4.556 0.004 0.000 0.301 593 H C -1.432 173.947 175.328 0.085 0.000 0.981 593 H CA -0.947 55.213 56.048 0.187 0.000 1.443 593 H CB 0.809 30.804 29.762 0.389 0.000 1.479 593 H HN 0.522 nan 8.280 nan 0.000 0.564 594 P HA -0.165 nan 4.420 nan 0.000 0.218 594 P C 1.100 178.516 177.300 0.193 0.000 1.146 594 P CA 1.300 64.552 63.100 0.254 0.000 0.813 594 P CB 0.370 32.340 31.700 0.450 0.000 0.778 595 Q N -1.196 118.666 119.800 0.103 0.000 2.369 595 Q HA 0.016 4.359 4.340 0.005 0.000 0.206 595 Q C 0.741 176.790 176.000 0.081 0.000 0.963 595 Q CA 0.201 55.916 55.803 -0.147 0.000 0.894 595 Q CB -0.645 27.964 28.738 -0.215 0.000 0.965 595 Q HN 0.120 nan 8.270 nan 0.000 0.475 596 V N 1.291 121.213 119.914 0.012 0.000 2.599 596 V HA -0.023 4.100 4.120 0.005 0.000 0.300 596 V C -0.206 175.795 176.094 -0.155 0.000 1.034 596 V CA 0.035 62.240 62.300 -0.157 0.000 1.115 596 V CB 0.232 31.710 31.823 -0.574 0.000 0.934 596 V HN 0.241 nan 8.190 nan 0.000 0.485 597 L N 7.979 129.163 121.223 -0.065 0.000 2.325 597 L HA 0.340 4.683 4.340 0.005 0.000 0.284 597 L C -0.073 176.706 176.870 -0.151 0.000 1.089 597 L CA -0.122 54.660 54.840 -0.096 0.000 0.836 597 L CB 1.117 43.159 42.059 -0.029 0.000 1.184 597 L HN 0.687 nan 8.230 nan 0.000 0.444 598 V N 0.015 119.807 119.914 -0.204 0.000 2.630 598 V HA 0.482 4.605 4.120 0.005 0.000 0.305 598 V C 0.399 176.417 176.094 -0.128 0.000 1.046 598 V CA -0.725 61.450 62.300 -0.209 0.000 0.934 598 V CB 1.431 33.081 31.823 -0.288 0.000 1.003 598 V HN 0.605 nan 8.190 nan 0.000 0.451 599 T N 2.994 117.487 114.554 -0.102 0.000 2.769 599 T HA 0.053 4.406 4.350 0.005 0.000 0.293 599 T C 0.137 174.816 174.700 -0.035 0.000 0.931 599 T CA 0.289 62.354 62.100 -0.058 0.000 1.139 599 T CB -0.251 68.584 68.868 -0.055 0.000 0.881 599 T HN 0.927 nan 8.240 nan 0.000 0.532 600 D N 3.615 124.014 120.400 -0.002 0.000 2.660 600 D HA -0.089 4.554 4.640 0.005 0.000 0.253 600 D C 0.932 177.218 176.300 -0.023 0.000 1.256 600 D CA 0.383 54.392 54.000 0.015 0.000 0.914 600 D CB 0.368 41.265 40.800 0.163 0.000 1.137 600 D HN 0.532 nan 8.370 nan 0.000 0.542 601 M N 3.096 122.643 119.600 -0.087 0.000 2.682 601 M HA 0.008 4.491 4.480 0.005 0.000 0.235 601 M C 1.646 177.815 176.300 -0.217 0.000 1.114 601 M CA 0.387 55.618 55.300 -0.115 0.000 1.053 601 M CB 0.293 32.818 32.600 -0.125 0.000 1.599 601 M HN 0.177 nan 8.290 nan 0.000 0.520 602 R N -0.703 119.596 120.500 -0.335 0.000 2.175 602 R HA 0.102 4.445 4.340 0.005 0.000 0.202 602 R C -0.487 175.352 176.300 -0.769 0.000 1.018 602 R CA 0.687 56.385 56.100 -0.670 0.000 1.029 602 R CB 0.628 30.300 30.300 -1.047 0.000 0.959 602 R HN 0.219 nan 8.270 nan 0.000 0.480 603 Y N 1.582 121.829 120.300 -0.089 0.000 2.344 603 Y HA 0.149 4.702 4.550 0.005 0.000 0.328 603 Y C -0.348 175.542 175.900 -0.016 0.000 1.067 603 Y CA -1.708 56.325 58.100 -0.112 0.000 1.247 603 Y CB 0.578 38.845 38.460 -0.322 0.000 1.113 603 Y HN 0.017 nan 8.280 nan 0.000 0.465 604 E N 1.729 121.996 120.200 0.113 0.000 2.458 604 E HA -0.049 4.304 4.350 0.005 0.000 0.264 604 E C -0.386 176.294 176.600 0.132 0.000 1.097 604 E CA 0.222 56.681 56.400 0.098 0.000 0.973 604 E CB 0.269 30.009 29.700 0.066 0.000 0.963 604 E HN 0.815 nan 8.360 nan 0.000 0.451 605 N N 0.537 119.298 118.700 0.101 0.000 2.716 605 N HA -0.286 4.457 4.740 0.005 0.000 0.250 605 N C -0.185 175.403 175.510 0.129 0.000 1.033 605 N CA 1.056 54.158 53.050 0.086 0.000 0.727 605 N CB -1.096 37.429 38.487 0.063 0.000 0.950 605 N HN 0.687 nan 8.380 nan 0.000 0.541 606 H N -0.956 118.136 119.070 0.037 0.000 3.241 606 H HA 0.425 4.984 4.556 0.005 0.000 0.260 606 H C 1.039 176.385 175.328 0.029 0.000 1.084 606 H CA 1.146 57.219 56.048 0.042 0.000 1.203 606 H CB 0.667 30.486 29.762 0.095 0.000 1.524 606 H HN 0.434 nan 8.280 nan 0.000 0.521 607 G N 0.163 108.915 108.800 -0.081 0.000 2.318 607 G HA2 -0.014 3.949 3.960 0.005 0.000 0.367 607 G HA3 -0.014 3.949 3.960 0.005 0.000 0.367 607 G C -1.419 173.450 174.900 -0.051 0.000 1.260 607 G CA -0.794 44.229 45.100 -0.129 0.000 1.055 607 G HN 0.308 nan 8.290 nan 0.000 0.484 608 R N 0.138 120.605 120.500 -0.055 0.000 2.686 608 R HA 0.641 4.984 4.340 0.005 0.000 0.286 608 R C -0.846 175.427 176.300 -0.045 0.000 0.969 608 R CA -0.855 55.218 56.100 -0.045 0.000 0.898 608 R CB 2.202 32.470 30.300 -0.053 0.000 1.183 608 R HN 0.522 nan 8.270 nan 0.000 0.456 609 E N 2.132 122.290 120.200 -0.070 0.000 2.299 609 E HA 0.391 4.744 4.350 0.005 0.000 0.265 609 E C -2.558 173.908 176.600 -0.224 0.000 0.911 609 E CA -2.356 53.966 56.400 -0.130 0.000 0.789 609 E CB 1.778 31.431 29.700 -0.078 0.000 1.246 609 E HN 0.245 nan 8.360 nan 0.000 0.427 610 P HA 0.036 nan 4.420 nan 0.000 0.269 610 P C 0.655 177.812 177.300 -0.239 0.000 1.209 610 P CA -0.094 62.839 63.100 -0.279 0.000 0.776 610 P CB 0.450 31.968 31.700 -0.305 0.000 0.876 611 M N 4.049 123.537 119.600 -0.187 0.000 2.358 611 M HA -0.100 4.383 4.480 0.005 0.000 0.264 611 M C 1.552 177.774 176.300 -0.131 0.000 1.064 611 M CA 1.453 56.630 55.300 -0.204 0.000 1.093 611 M CB -1.258 31.174 32.600 -0.279 0.000 1.401 611 M HN 0.137 nan 8.290 nan 0.000 0.440 612 V N 0.110 119.992 119.914 -0.053 0.000 2.828 612 V HA -0.208 3.915 4.120 0.005 0.000 0.260 612 V C 2.033 178.081 176.094 -0.076 0.000 1.101 612 V CA 2.399 64.712 62.300 0.021 0.000 1.123 612 V CB -1.049 30.873 31.823 0.164 0.000 0.704 612 V HN 0.811 nan 8.190 nan 0.000 0.493 613 T N -1.404 113.004 114.554 -0.243 0.000 3.088 613 T HA -0.032 4.321 4.350 0.005 0.000 0.259 613 T C 1.106 175.721 174.700 -0.141 0.000 1.122 613 T CA 0.951 62.902 62.100 -0.249 0.000 1.095 613 T CB -0.119 68.570 68.868 -0.299 0.000 0.930 613 T HN 0.799 nan 8.240 nan 0.000 0.508 614 Q N -0.648 119.056 119.800 -0.159 0.000 2.052 614 Q HA 0.366 4.709 4.340 0.005 0.000 0.250 614 Q C 1.429 177.315 176.000 -0.189 0.000 0.851 614 Q CA -0.666 55.020 55.803 -0.196 0.000 1.029 614 Q CB 0.048 28.658 28.738 -0.213 0.000 1.274 614 Q HN 0.207 nan 8.270 nan 0.000 0.411 615 R N 1.466 121.872 120.500 -0.156 0.000 2.105 615 R HA -0.097 4.246 4.340 0.005 0.000 0.239 615 R C 0.227 176.432 176.300 -0.158 0.000 1.135 615 R CA 1.824 57.827 56.100 -0.162 0.000 0.967 615 R CB 0.168 30.354 30.300 -0.190 0.000 0.861 615 R HN 0.269 nan 8.270 nan 0.000 0.442 616 N N 0.224 118.816 118.700 -0.180 0.000 2.449 616 N HA 0.010 4.753 4.740 0.005 0.000 0.191 616 N C 1.001 176.396 175.510 -0.192 0.000 1.161 616 N CA 0.351 53.306 53.050 -0.158 0.000 0.863 616 N CB 0.284 38.691 38.487 -0.132 0.000 0.980 616 N HN 0.340 nan 8.380 nan 0.000 0.458 617 I N -0.835 119.593 120.570 -0.236 0.000 4.057 617 I HA -0.028 4.145 4.170 0.005 0.000 0.334 617 I C 1.907 177.944 176.117 -0.134 0.000 1.308 617 I CA 0.037 61.179 61.300 -0.263 0.000 1.125 617 I CB 0.083 37.829 38.000 -0.423 0.000 1.034 617 I HN 0.206 nan 8.210 nan 0.000 0.401 618 H N 1.796 120.752 119.070 -0.189 0.000 2.254 618 H HA -0.203 4.356 4.556 0.005 0.000 0.294 618 H C 2.044 177.217 175.328 -0.258 0.000 1.071 618 H CA 2.326 58.235 56.048 -0.231 0.000 1.228 618 H CB 0.052 29.725 29.762 -0.148 0.000 1.358 618 H HN 0.384 nan 8.280 nan 0.000 0.495 619 A N -0.019 122.854 122.820 0.087 0.000 2.076 619 A HA -0.220 4.102 4.320 0.005 0.000 0.220 619 A C 2.377 179.968 177.584 0.012 0.000 1.160 619 A CA 1.548 53.615 52.037 0.050 0.000 0.653 619 A CB -1.168 17.901 19.000 0.116 0.000 0.801 619 A HN 0.728 nan 8.150 nan 0.000 0.455 620 Y N 0.508 120.762 120.300 -0.076 0.000 2.206 620 Y HA -0.131 4.422 4.550 0.005 0.000 0.292 620 Y C 2.622 178.405 175.900 -0.195 0.000 1.123 620 Y CA 2.095 60.205 58.100 0.018 0.000 1.142 620 Y CB -0.233 38.289 38.460 0.104 0.000 1.006 620 Y HN 0.296 nan 8.280 nan 0.000 0.518 621 T N 1.943 116.441 114.554 -0.094 0.000 2.777 621 T HA -0.186 4.166 4.350 0.005 0.000 0.266 621 T C 1.746 175.938 174.700 -0.847 0.000 1.040 621 T CA 1.397 63.259 62.100 -0.397 0.000 1.141 621 T CB -0.661 67.921 68.868 -0.477 0.000 0.868 621 T HN 0.334 nan 8.240 nan 0.000 0.444 622 L N 1.462 121.961 121.223 -1.207 0.000 1.990 622 L HA -0.095 4.248 4.340 0.005 0.000 0.213 622 L C 2.482 178.973 176.870 -0.633 0.000 1.072 622 L CA 1.430 55.469 54.840 -1.336 0.000 0.755 622 L CB -1.488 39.978 42.059 -0.988 0.000 0.889 622 L HN 0.302 nan 8.230 nan 0.000 0.432 623 C N 0.241 119.281 119.300 -0.434 0.000 2.393 623 C HA -0.228 4.235 4.460 0.005 0.000 0.276 623 C C 2.790 177.402 174.990 -0.629 0.000 1.215 623 C CA 1.405 60.222 59.018 -0.335 0.000 1.743 623 C CB -1.073 26.568 27.740 -0.165 0.000 2.044 623 C HN 0.746 nan 8.230 nan 0.000 0.464 624 E N 0.269 119.826 120.200 -1.072 0.000 2.160 624 E HA -0.184 4.169 4.350 0.005 0.000 0.195 624 E C 2.037 178.227 176.600 -0.684 0.000 0.991 624 E CA 1.516 56.998 56.400 -1.530 0.000 0.810 624 E CB -0.014 28.912 29.700 -1.290 0.000 0.742 624 E HN 0.613 nan 8.360 nan 0.000 0.466 625 S N -0.284 115.173 115.700 -0.406 0.000 2.362 625 S HA -0.074 4.398 4.470 0.005 0.000 0.221 625 S C 1.978 176.601 174.600 0.039 0.000 1.032 625 S CA 1.208 59.359 58.200 -0.082 0.000 0.973 625 S CB -0.241 63.018 63.200 0.098 0.000 0.849 625 S HN 0.328 nan 8.310 nan 0.000 0.465 626 T N 2.134 116.737 114.554 0.082 0.000 2.665 626 T HA -0.183 4.170 4.350 0.005 0.000 0.268 626 T C 1.934 176.493 174.700 -0.234 0.000 1.035 626 T CA 1.874 63.932 62.100 -0.069 0.000 1.151 626 T CB -0.249 68.638 68.868 0.032 0.000 0.862 626 T HN 0.304 nan 8.240 nan 0.000 0.438 627 R N 1.103 121.473 120.500 -0.217 0.000 2.075 627 R HA 0.071 4.414 4.340 0.005 0.000 0.232 627 R C 2.300 178.520 176.300 -0.133 0.000 1.126 627 R CA 1.461 57.457 56.100 -0.173 0.000 0.963 627 R CB -0.165 30.038 30.300 -0.161 0.000 0.858 627 R HN 0.215 nan 8.270 nan 0.000 0.435 628 K N 0.026 120.334 120.400 -0.154 0.000 1.992 628 K HA -0.077 4.246 4.320 0.005 0.000 0.210 628 K C 1.645 178.214 176.600 -0.052 0.000 1.036 628 K CA 1.722 57.955 56.287 -0.091 0.000 0.946 628 K CB -0.009 32.435 32.500 -0.093 0.000 0.742 628 K HN 0.081 nan 8.250 nan 0.000 0.442 629 E N -0.392 119.789 120.200 -0.031 0.000 2.482 629 E HA -0.016 4.337 4.350 0.005 0.000 0.196 629 E C 1.242 177.814 176.600 -0.047 0.000 1.047 629 E CA 0.558 56.954 56.400 -0.007 0.000 0.869 629 E CB 0.189 29.919 29.700 0.050 0.000 0.836 629 E HN 0.472 nan 8.360 nan 0.000 0.520 630 G N 0.288 109.023 108.800 -0.108 0.000 2.682 630 G HA2 -0.011 3.952 3.960 0.005 0.000 0.221 630 G HA3 -0.011 3.952 3.960 0.005 0.000 0.221 630 G C 1.448 176.357 174.900 0.015 0.000 1.386 630 G CA -0.106 44.870 45.100 -0.206 0.000 0.909 630 G HN 0.110 nan 8.290 nan 0.000 0.558 631 I N 0.778 121.346 120.570 -0.002 0.000 2.179 631 I HA -0.144 4.028 4.170 0.005 0.000 0.242 631 I C 2.725 178.845 176.117 0.006 0.000 1.088 631 I CA 0.894 62.219 61.300 0.043 0.000 1.357 631 I CB -0.119 37.871 38.000 -0.017 0.000 1.051 631 I HN 0.052 nan 8.210 nan 0.000 0.409 632 V N -0.288 119.620 119.914 -0.011 0.000 2.535 632 V HA -0.143 3.980 4.120 0.005 0.000 0.246 632 V C 2.204 178.300 176.094 0.003 0.000 1.045 632 V CA 1.285 63.578 62.300 -0.012 0.000 1.058 632 V CB -0.638 31.172 31.823 -0.021 0.000 0.689 632 V HN 0.429 nan 8.190 nan 0.000 0.461 633 E N 0.535 120.740 120.200 0.008 0.000 2.427 633 E HA -0.088 4.265 4.350 0.005 0.000 0.196 633 E C 0.652 177.273 176.600 0.035 0.000 1.028 633 E CA 0.453 56.861 56.400 0.014 0.000 0.864 633 E CB 0.170 29.874 29.700 0.006 0.000 0.813 633 E HN 0.578 nan 8.360 nan 0.000 0.514 634 N N -0.427 118.314 118.700 0.068 0.000 2.466 634 N HA 0.136 4.879 4.740 0.005 0.000 0.272 634 N C 0.259 175.840 175.510 0.118 0.000 1.455 634 N CA 0.269 53.390 53.050 0.117 0.000 0.875 634 N CB 1.414 40.015 38.487 0.190 0.000 1.372 634 N HN 0.039 nan 8.380 nan 0.000 0.492 635 A N 0.372 123.216 122.820 0.040 0.000 2.019 635 A HA -0.136 4.187 4.320 0.005 0.000 0.219 635 A C 1.730 179.318 177.584 0.007 0.000 1.164 635 A CA 1.240 53.270 52.037 -0.013 0.000 0.644 635 A CB -0.043 18.946 19.000 -0.018 0.000 0.805 635 A HN 0.046 nan 8.150 nan 0.000 0.449 636 D N -0.372 120.047 120.400 0.032 0.000 2.158 636 D HA -0.146 4.497 4.640 0.005 0.000 0.197 636 D C 2.266 178.597 176.300 0.052 0.000 0.995 636 D CA 2.105 56.126 54.000 0.035 0.000 0.846 636 D CB -0.360 40.461 40.800 0.036 0.000 0.941 636 D HN 0.633 nan 8.370 nan 0.000 0.456 637 T N -1.734 112.874 114.554 0.091 0.000 3.043 637 T HA 0.041 4.393 4.350 0.005 0.000 0.263 637 T C 1.296 176.079 174.700 0.138 0.000 1.094 637 T CA -0.156 62.023 62.100 0.133 0.000 1.127 637 T CB -0.216 68.769 68.868 0.195 0.000 0.905 637 T HN -0.016 nan 8.240 nan 0.000 0.490 638 L N 2.484 123.736 121.223 0.049 0.000 2.503 638 L HA 0.161 4.504 4.340 0.005 0.000 0.287 638 L C 2.022 178.909 176.870 0.029 0.000 1.252 638 L CA 0.324 55.140 54.840 -0.039 0.000 0.835 638 L CB 0.495 42.437 42.059 -0.194 0.000 1.099 638 L HN 0.443 nan 8.230 nan 0.000 0.516 639 T N -1.734 112.852 114.554 0.054 0.000 3.507 639 T HA 0.040 4.393 4.350 0.005 0.000 0.197 639 T C 1.473 176.143 174.700 -0.051 0.000 0.847 639 T CA -0.155 61.967 62.100 0.036 0.000 1.531 639 T CB -0.188 68.742 68.868 0.103 0.000 1.834 639 T HN 0.440 nan 8.240 nan 0.000 0.433 640 K N 0.121 120.446 120.400 -0.126 0.000 2.097 640 K HA 0.125 4.448 4.320 0.005 0.000 0.205 640 K C -0.541 175.799 176.600 -0.434 0.000 1.050 640 K CA 0.890 56.980 56.287 -0.330 0.000 0.938 640 K CB -0.097 32.070 32.500 -0.555 0.000 0.718 640 K HN 0.388 nan 8.250 nan 0.000 0.442 641 F N -0.596 119.336 119.950 -0.029 0.000 2.529 641 F HA 0.375 4.905 4.527 0.005 0.000 0.320 641 F C 0.906 176.687 175.800 -0.031 0.000 1.118 641 F CA -0.961 57.042 58.000 0.004 0.000 0.915 641 F CB 1.735 40.793 39.000 0.096 0.000 1.161 641 F HN -0.277 nan 8.300 nan 0.000 0.445 642 R N 0.944 121.514 120.500 0.116 0.000 2.173 642 R HA 0.135 4.478 4.340 0.005 0.000 0.208 642 R C 0.837 177.141 176.300 0.006 0.000 1.035 642 R CA 0.298 56.414 56.100 0.027 0.000 1.004 642 R CB 0.300 30.607 30.300 0.012 0.000 0.917 642 R HN 0.581 nan 8.270 nan 0.000 0.462 643 R N 0.289 120.810 120.500 0.036 0.000 2.457 643 R HA 0.179 4.522 4.340 0.005 0.000 0.284 643 R C -0.916 175.359 176.300 -0.042 0.000 1.024 643 R CA 0.048 56.137 56.100 -0.018 0.000 1.025 643 R CB 1.522 31.802 30.300 -0.034 0.000 1.063 643 R HN -0.044 nan 8.270 nan 0.000 0.493 644 S N 1.606 117.285 115.700 -0.035 0.000 2.851 644 S HA 0.617 5.090 4.470 0.005 0.000 0.313 644 S C -2.027 172.650 174.600 0.128 0.000 1.163 644 S CA -0.545 57.675 58.200 0.033 0.000 0.850 644 S CB 1.103 64.291 63.200 -0.020 0.000 1.245 644 S HN 0.540 nan 8.310 nan 0.000 0.558 645 Y N -0.386 119.948 120.300 0.056 0.000 2.677 645 Y HA 0.603 5.156 4.550 0.005 0.000 0.334 645 Y C -1.760 174.225 175.900 0.141 0.000 1.196 645 Y CA -0.789 57.329 58.100 0.031 0.000 1.059 645 Y CB 1.150 39.550 38.460 -0.101 0.000 1.315 645 Y HN 0.632 nan 8.280 nan 0.000 0.455 646 I N 5.061 125.463 120.570 -0.280 0.000 2.447 646 I HA 0.369 4.542 4.170 0.005 0.000 0.287 646 I C -1.245 174.746 176.117 -0.210 0.000 1.023 646 I CA -0.739 60.470 61.300 -0.152 0.000 1.083 646 I CB 1.462 39.368 38.000 -0.156 0.000 1.245 646 I HN 0.272 nan 8.210 nan 0.000 0.434 647 I N 4.797 125.282 120.570 -0.142 0.000 2.312 647 I HA 0.338 4.511 4.170 0.005 0.000 0.290 647 I C 0.370 176.529 176.117 0.070 0.000 1.008 647 I CA -0.037 61.123 61.300 -0.235 0.000 1.226 647 I CB 0.933 38.508 38.000 -0.708 0.000 1.371 647 I HN 0.487 nan 8.210 nan 0.000 0.468 648 S N 5.716 121.480 115.700 0.106 0.000 2.607 648 S HA 0.521 4.994 4.470 0.005 0.000 0.303 648 S C 0.962 175.592 174.600 0.049 0.000 1.086 648 S CA -0.556 57.756 58.200 0.186 0.000 0.995 648 S CB 1.971 65.189 63.200 0.031 0.000 1.084 648 S HN 0.688 nan 8.310 nan 0.000 0.507 649 R N 1.265 121.654 120.500 -0.185 0.000 2.189 649 R HA 0.269 4.612 4.340 0.005 0.000 0.203 649 R C 0.841 176.925 176.300 -0.361 0.000 1.012 649 R CA 0.636 56.256 56.100 -0.799 0.000 1.015 649 R CB -0.007 29.699 30.300 -0.990 0.000 0.938 649 R HN 0.681 nan 8.270 nan 0.000 0.472 650 G N -1.236 107.507 108.800 -0.094 0.000 2.630 650 G HA2 0.616 4.579 3.960 0.005 0.000 0.296 650 G HA3 0.616 4.579 3.960 0.005 0.000 0.296 650 G C -0.928 174.088 174.900 0.194 0.000 1.285 650 G CA -0.190 44.966 45.100 0.093 0.000 0.958 650 G HN 0.343 nan 8.290 nan 0.000 0.479 651 G N -1.655 107.362 108.800 0.362 0.000 2.343 651 G HA2 0.500 4.463 3.960 0.005 0.000 0.289 651 G HA3 0.500 4.463 3.960 0.005 0.000 0.289 651 G C -2.279 172.828 174.900 0.344 0.000 1.295 651 G CA -0.450 44.904 45.100 0.424 0.000 0.869 651 G HN 1.353 nan 8.290 nan 0.000 0.522 652 Y N -0.033 120.374 120.300 0.179 0.000 2.553 652 Y HA 0.687 5.239 4.550 0.005 0.000 0.347 652 Y C 0.408 176.229 175.900 -0.131 0.000 1.019 652 Y CA -1.488 56.509 58.100 -0.171 0.000 1.032 652 Y CB 1.405 39.812 38.460 -0.088 0.000 1.284 652 Y HN 0.626 nan 8.280 nan 0.000 0.466 653 I N 4.347 124.282 120.570 -1.058 0.000 3.184 653 I HA -0.066 4.107 4.170 0.005 0.000 0.333 653 I C 1.211 177.077 176.117 -0.420 0.000 1.214 653 I CA 2.687 63.511 61.300 -0.794 0.000 1.465 653 I CB -0.329 37.069 38.000 -1.005 0.000 1.308 653 I HN 1.004 nan 8.210 nan 0.000 0.525 654 G N 5.289 113.919 108.800 -0.283 0.000 2.192 654 G HA2 -0.234 3.729 3.960 0.005 0.000 0.193 654 G HA3 -0.234 3.729 3.960 0.005 0.000 0.193 654 G C 0.935 175.697 174.900 -0.230 0.000 0.999 654 G CA 0.157 45.190 45.100 -0.113 0.000 0.659 654 G HN 0.607 nan 8.290 nan 0.000 0.503 655 N N 0.866 119.437 118.700 -0.214 0.000 2.422 655 N HA -0.036 4.706 4.740 0.005 0.000 0.181 655 N C 2.257 177.442 175.510 -0.541 0.000 1.080 655 N CA 1.080 53.908 53.050 -0.370 0.000 0.893 655 N CB 0.047 38.615 38.487 0.136 0.000 0.973 655 N HN 0.702 nan 8.380 nan 0.000 0.456 656 Q N -0.580 118.906 119.800 -0.522 0.000 2.488 656 Q HA -0.115 4.228 4.340 0.005 0.000 0.211 656 Q C 0.435 176.036 176.000 -0.665 0.000 0.967 656 Q CA 1.139 56.626 55.803 -0.526 0.000 0.926 656 Q CB -0.840 27.597 28.738 -0.500 0.000 0.992 656 Q HN 0.518 nan 8.270 nan 0.000 0.506 657 H N -0.930 117.671 119.070 -0.782 0.000 2.555 657 H HA 0.079 4.637 4.556 0.005 0.000 0.269 657 H C 0.104 175.115 175.328 -0.528 0.000 0.988 657 H CA 0.724 56.339 56.048 -0.722 0.000 1.178 657 H CB 0.257 29.546 29.762 -0.788 0.000 1.373 657 H HN 0.219 nan 8.280 nan 0.000 0.588 658 F N -1.328 118.473 119.950 -0.248 0.000 2.706 658 F HA 0.450 4.980 4.527 0.005 0.000 0.313 658 F C 1.356 176.863 175.800 -0.489 0.000 1.096 658 F CA 0.334 58.144 58.000 -0.316 0.000 1.219 658 F CB 0.603 39.408 39.000 -0.325 0.000 1.051 658 F HN 0.173 nan 8.300 nan 0.000 0.568 659 G N -0.218 108.297 108.800 -0.475 0.000 2.217 659 G HA2 0.336 4.299 3.960 0.005 0.000 0.173 659 G HA3 0.336 4.299 3.960 0.005 0.000 0.173 659 G C -0.286 174.306 174.900 -0.514 0.000 1.324 659 G CA -0.377 44.134 45.100 -0.982 0.000 1.225 659 G HN 0.489 nan 8.290 nan 0.000 0.494 660 G N -1.166 107.384 108.800 -0.416 0.000 3.108 660 G HA2 0.778 4.741 3.960 0.005 0.000 0.268 660 G HA3 0.778 4.741 3.960 0.005 0.000 0.268 660 G C -0.548 174.228 174.900 -0.206 0.000 1.361 660 G CA -0.544 44.474 45.100 -0.138 0.000 1.047 660 G HN 0.705 nan 8.290 nan 0.000 0.540 661 M N -0.657 118.831 119.600 -0.188 0.000 2.575 661 M HA 0.411 4.894 4.480 0.005 0.000 0.284 661 M C -1.846 174.464 176.300 0.017 0.000 1.253 661 M CA -0.385 54.827 55.300 -0.147 0.000 0.861 661 M CB 2.549 34.962 32.600 -0.312 0.000 1.733 661 M HN 0.875 nan 8.290 nan 0.000 0.462 662 W N 0.175 121.380 121.300 -0.158 0.000 2.864 662 W HA 0.715 5.377 4.660 0.004 0.000 0.343 662 W C -1.143 175.366 176.519 -0.016 0.000 1.109 662 W CA -1.018 56.332 57.345 0.008 0.000 1.192 662 W CB 0.650 30.189 29.460 0.130 0.000 1.426 662 W HN 0.251 nan 8.180 nan 0.000 0.529 663 V N 5.749 125.622 119.914 -0.069 0.000 3.099 663 V HA 0.360 4.483 4.120 0.005 0.000 0.387 663 V C 1.279 177.250 176.094 -0.205 0.000 1.358 663 V CA 0.714 62.934 62.300 -0.133 0.000 1.528 663 V CB -1.495 30.387 31.823 0.099 0.000 1.342 663 V HN 1.290 nan 8.190 nan 0.000 0.513 664 G N 1.697 109.907 108.800 -0.985 0.000 2.575 664 G HA2 -0.251 3.712 3.960 0.005 0.000 0.267 664 G HA3 -0.251 3.712 3.960 0.005 0.000 0.267 664 G C -0.245 174.606 174.900 -0.082 0.000 1.264 664 G CA 0.054 44.580 45.100 -0.956 0.000 0.935 664 G HN 0.503 nan 8.290 nan 0.000 0.568 665 D N 2.519 122.971 120.400 0.086 0.000 2.619 665 D HA 0.226 4.869 4.640 0.005 0.000 0.224 665 D C 1.378 177.728 176.300 0.082 0.000 1.133 665 D CA 0.114 54.215 54.000 0.167 0.000 1.017 665 D CB -0.507 40.445 40.800 0.254 0.000 1.077 665 D HN 0.601 nan 8.370 nan 0.000 0.503 666 N N -0.181 118.547 118.700 0.046 0.000 2.267 666 N HA 0.114 4.857 4.740 0.005 0.000 0.269 666 N C -0.006 175.250 175.510 -0.424 0.000 1.287 666 N CA -0.310 52.530 53.050 -0.349 0.000 0.916 666 N CB 0.486 38.984 38.487 0.019 0.000 1.052 666 N HN 0.077 nan 8.380 nan 0.000 0.496 667 S N -3.782 111.445 115.700 -0.790 0.000 2.656 667 S HA 0.448 4.920 4.470 0.005 0.000 0.273 667 S C -1.551 172.964 174.600 -0.142 0.000 1.168 667 S CA -0.737 57.155 58.200 -0.514 0.000 0.817 667 S CB 0.621 63.427 63.200 -0.656 0.000 1.146 667 S HN 0.569 nan 8.310 nan 0.000 0.475 668 T N 2.460 117.045 114.554 0.052 0.000 3.477 668 T HA 0.546 4.899 4.350 0.005 0.000 0.347 668 T C -0.250 174.433 174.700 -0.028 0.000 1.567 668 T CA -0.250 61.879 62.100 0.049 0.000 1.169 668 T CB -0.577 68.189 68.868 -0.171 0.000 1.196 668 T HN 0.761 nan 8.240 nan 0.000 0.768 669 T N -1.954 112.707 114.554 0.179 0.000 2.840 669 T HA 0.368 4.721 4.350 0.005 0.000 0.317 669 T C 1.182 175.879 174.700 -0.004 0.000 1.401 669 T CA -0.702 61.454 62.100 0.093 0.000 1.028 669 T CB 1.251 70.238 68.868 0.198 0.000 1.317 669 T HN -0.038 nan 8.240 nan 0.000 0.495 670 S N 1.212 116.855 115.700 -0.095 0.000 2.372 670 S HA -0.180 4.293 4.470 0.005 0.000 0.227 670 S C 1.793 176.164 174.600 -0.382 0.000 1.044 670 S CA 2.085 60.107 58.200 -0.296 0.000 1.050 670 S CB -0.876 62.117 63.200 -0.345 0.000 0.901 670 S HN 0.827 nan 8.310 nan 0.000 0.447 671 N N -0.343 118.191 118.700 -0.277 0.000 2.430 671 N HA -0.126 4.617 4.740 0.005 0.000 0.186 671 N C 0.995 176.228 175.510 -0.461 0.000 1.032 671 N CA 1.050 53.925 53.050 -0.290 0.000 0.893 671 N CB -0.123 38.256 38.487 -0.181 0.000 0.957 671 N HN 0.452 nan 8.380 nan 0.000 0.442 672 Y N 0.119 120.322 120.300 -0.161 0.000 2.503 672 Y HA 0.231 4.784 4.550 0.004 0.000 0.277 672 Y C 1.844 177.676 175.900 -0.113 0.000 1.102 672 Y CA -0.105 57.954 58.100 -0.068 0.000 1.261 672 Y CB 0.123 38.627 38.460 0.073 0.000 1.096 672 Y HN 0.007 nan 8.280 nan 0.000 0.546 673 I N -0.096 120.318 120.570 -0.260 0.000 2.226 673 I HA -0.344 3.829 4.170 0.005 0.000 0.245 673 I C 1.994 178.022 176.117 -0.148 0.000 1.100 673 I CA 1.526 62.584 61.300 -0.403 0.000 1.374 673 I CB -0.342 37.287 38.000 -0.618 0.000 1.057 673 I HN 0.265 nan 8.210 nan 0.000 0.413 674 Q N 0.146 119.845 119.800 -0.168 0.000 2.084 674 Q HA -0.188 4.154 4.340 0.005 0.000 0.202 674 Q C 2.316 178.328 176.000 0.021 0.000 0.978 674 Q CA 1.568 57.328 55.803 -0.072 0.000 0.844 674 Q CB -0.129 28.561 28.738 -0.081 0.000 0.898 674 Q HN 0.501 nan 8.270 nan 0.000 0.426 675 M N -0.169 119.427 119.600 -0.007 0.000 2.229 675 M HA -0.119 4.363 4.480 0.005 0.000 0.264 675 M C 2.275 178.652 176.300 0.127 0.000 1.063 675 M CA 1.041 56.367 55.300 0.044 0.000 1.114 675 M CB -0.118 32.472 32.600 -0.016 0.000 1.387 675 M HN 0.362 nan 8.290 nan 0.000 0.420 676 M N 0.399 120.100 119.600 0.168 0.000 2.175 676 M HA -0.181 4.302 4.480 0.005 0.000 0.264 676 M C 1.759 178.123 176.300 0.108 0.000 1.063 676 M CA 1.764 57.182 55.300 0.197 0.000 1.119 676 M CB -0.081 32.686 32.600 0.278 0.000 1.377 676 M HN 0.180 nan 8.290 nan 0.000 0.415 677 I N 0.730 121.339 120.570 0.065 0.000 2.110 677 I HA -0.201 3.972 4.170 0.005 0.000 0.236 677 I C 2.805 178.929 176.117 0.011 0.000 1.068 677 I CA 1.128 62.429 61.300 0.002 0.000 1.333 677 I CB -0.870 37.157 38.000 0.045 0.000 1.054 677 I HN 0.421 nan 8.210 nan 0.000 0.402 678 A N 1.237 124.099 122.820 0.070 0.000 1.882 678 A HA -0.374 3.949 4.320 0.005 0.000 0.220 678 A C 2.025 179.654 177.584 0.074 0.000 1.253 678 A CA 2.963 55.056 52.037 0.093 0.000 0.664 678 A CB -1.628 17.447 19.000 0.124 0.000 0.838 678 A HN 0.569 nan 8.150 nan 0.000 0.460 679 N N -0.542 118.199 118.700 0.069 0.000 2.036 679 N HA -0.228 4.515 4.740 0.005 0.000 0.195 679 N C 1.972 177.510 175.510 0.046 0.000 1.037 679 N CA 1.290 54.373 53.050 0.057 0.000 0.855 679 N CB -0.250 38.270 38.487 0.055 0.000 1.033 679 N HN 0.615 nan 8.380 nan 0.000 0.423 680 N N 1.457 120.175 118.700 0.030 0.000 2.000 680 N HA -0.166 4.576 4.740 0.005 0.000 0.198 680 N C 1.767 177.268 175.510 -0.015 0.000 1.057 680 N CA 1.404 54.453 53.050 -0.002 0.000 0.858 680 N CB -0.282 38.171 38.487 -0.057 0.000 1.057 680 N HN 0.176 nan 8.380 nan 0.000 0.423 681 I N 1.338 121.882 120.570 -0.044 0.000 2.074 681 I HA -0.364 3.809 4.170 0.005 0.000 0.238 681 I C 2.072 178.228 176.117 0.064 0.000 1.037 681 I CA 1.397 62.696 61.300 -0.000 0.000 1.301 681 I CB -0.779 37.240 38.000 0.032 0.000 1.016 681 I HN 0.226 nan 8.210 nan 0.000 0.400 682 N N 0.314 119.071 118.700 0.095 0.000 2.137 682 N HA -0.182 4.561 4.740 0.005 0.000 0.190 682 N C 1.765 177.359 175.510 0.140 0.000 1.017 682 N CA 1.466 54.599 53.050 0.137 0.000 0.859 682 N CB -0.201 38.369 38.487 0.138 0.000 1.002 682 N HN 0.304 nan 8.380 nan 0.000 0.428 683 M N 0.318 119.976 119.600 0.096 0.000 2.288 683 M HA 0.007 4.490 4.480 0.005 0.000 0.266 683 M C 1.531 177.860 176.300 0.049 0.000 1.072 683 M CA 0.579 55.928 55.300 0.081 0.000 1.132 683 M CB -0.743 31.869 32.600 0.020 0.000 1.386 683 M HN 0.214 nan 8.290 nan 0.000 0.432 684 N N 0.914 119.634 118.700 0.034 0.000 2.149 684 N HA -0.167 4.576 4.740 0.005 0.000 0.188 684 N C 1.683 177.224 175.510 0.052 0.000 1.019 684 N CA 1.703 54.762 53.050 0.016 0.000 0.857 684 N CB -0.136 38.355 38.487 0.006 0.000 0.997 684 N HN 0.488 nan 8.380 nan 0.000 0.426 685 M N -0.790 118.882 119.600 0.120 0.000 2.556 685 M HA 0.181 4.664 4.480 0.005 0.000 0.245 685 M C 0.839 177.345 176.300 0.342 0.000 1.128 685 M CA 0.829 56.253 55.300 0.206 0.000 1.069 685 M CB 0.333 33.056 32.600 0.205 0.000 1.469 685 M HN -0.190 nan 8.290 nan 0.000 0.494 686 S N 0.025 115.868 115.700 0.239 0.000 2.650 686 S HA 0.105 4.578 4.470 0.005 0.000 0.219 686 S C 0.723 175.238 174.600 -0.141 0.000 0.960 686 S CA 0.227 58.480 58.200 0.088 0.000 0.925 686 S CB -0.833 62.477 63.200 0.183 0.000 0.775 686 S HN 0.756 nan 8.310 nan 0.000 0.525 687 C N 1.369 120.614 119.300 -0.093 0.000 4.584 687 C HA -0.085 4.377 4.460 0.005 0.000 0.288 687 C C -0.163 174.700 174.990 -0.212 0.000 1.284 687 C CA -0.207 58.687 59.018 -0.206 0.000 2.038 687 C CB -2.166 25.325 27.740 -0.415 0.000 1.246 687 C HN 0.611 nan 8.230 nan 0.000 0.765 688 L N 2.135 123.280 121.223 -0.129 0.000 2.442 688 L HA 0.397 4.740 4.340 0.005 0.000 0.261 688 L C -1.276 175.524 176.870 -0.116 0.000 1.000 688 L CA -1.274 53.470 54.840 -0.161 0.000 0.882 688 L CB 1.586 43.519 42.059 -0.210 0.000 1.207 688 L HN -0.058 nan 8.230 nan 0.000 0.443 689 P HA -0.069 nan 4.420 nan 0.000 0.215 689 P C 0.789 178.089 177.300 -0.001 0.000 1.160 689 P CA 0.484 63.553 63.100 -0.051 0.000 0.869 689 P CB 0.952 32.613 31.700 -0.065 0.000 0.782 690 L N 1.003 122.222 121.223 -0.006 0.000 2.395 690 L HA 0.254 4.597 4.340 0.005 0.000 0.268 690 L C -0.138 176.757 176.870 0.040 0.000 1.223 690 L CA -0.208 54.658 54.840 0.044 0.000 1.093 690 L CB -0.122 41.938 42.059 0.003 0.000 1.349 690 L HN -0.192 nan 8.230 nan 0.000 0.427 691 V N 3.116 123.101 119.914 0.119 0.000 3.181 691 V HA 1.024 5.147 4.120 0.005 0.000 0.308 691 V C -0.209 176.057 176.094 0.287 0.000 1.214 691 V CA 0.200 62.588 62.300 0.147 0.000 1.053 691 V CB 2.314 34.162 31.823 0.042 0.000 1.069 691 V HN 0.621 nan 8.190 nan 0.000 0.441 692 G N 1.363 110.370 108.800 0.344 0.000 2.328 692 G HA2 0.495 4.458 3.960 0.005 0.000 0.295 692 G HA3 0.495 4.458 3.960 0.005 0.000 0.295 692 G C -1.470 173.673 174.900 0.406 0.000 1.413 692 G CA -0.019 45.300 45.100 0.365 0.000 0.817 692 G HN 0.904 nan 8.290 nan 0.000 0.546 693 S N -0.396 115.517 115.700 0.355 0.000 2.607 693 S HA 0.569 5.042 4.470 0.005 0.000 0.303 693 S C -0.898 173.884 174.600 0.304 0.000 1.086 693 S CA -0.657 57.770 58.200 0.380 0.000 0.995 693 S CB 1.567 65.000 63.200 0.388 0.000 1.084 693 S HN 0.541 nan 8.310 nan 0.000 0.507 694 D N 2.426 123.015 120.400 0.316 0.000 2.402 694 D HA 0.067 4.710 4.640 0.005 0.000 0.268 694 D C 0.113 176.380 176.300 -0.055 0.000 1.294 694 D CA 0.215 54.321 54.000 0.177 0.000 0.945 694 D CB -0.032 40.942 40.800 0.290 0.000 1.112 694 D HN 0.228 nan 8.370 nan 0.000 0.517 695 I N 1.938 122.448 120.570 -0.100 0.000 2.668 695 I HA 0.079 4.252 4.170 0.005 0.000 0.285 695 I C 1.837 177.645 176.117 -0.514 0.000 1.168 695 I CA 0.757 61.888 61.300 -0.282 0.000 1.424 695 I CB 0.024 37.960 38.000 -0.107 0.000 1.377 695 I HN 0.716 nan 8.210 nan 0.000 0.560 696 G N 4.396 112.442 108.800 -1.257 0.000 2.234 696 G HA2 -0.043 3.920 3.960 0.005 0.000 0.235 696 G HA3 -0.043 3.920 3.960 0.005 0.000 0.235 696 G C 0.629 175.177 174.900 -0.586 0.000 0.997 696 G CA 0.143 44.780 45.100 -0.772 0.000 0.623 696 G HN 1.723 nan 8.290 nan 0.000 0.514 697 G N -1.464 107.002 108.800 -0.557 0.000 2.777 697 G HA2 0.206 4.169 3.960 0.005 0.000 0.686 697 G HA3 0.206 4.169 3.960 0.005 0.000 0.686 697 G C 0.115 175.041 174.900 0.043 0.000 1.177 697 G CA 0.199 45.228 45.100 -0.119 0.000 0.775 697 G HN 1.576 nan 8.290 nan 0.000 0.613 698 F N 2.125 122.062 119.950 -0.022 0.000 2.123 698 F HA 0.271 4.801 4.527 0.005 0.000 0.289 698 F C 2.125 177.978 175.800 0.089 0.000 1.099 698 F CA 2.124 60.151 58.000 0.045 0.000 1.234 698 F CB -0.428 38.639 39.000 0.111 0.000 1.034 698 F HN 0.995 nan 8.300 nan 0.000 0.479 699 T N -0.153 114.320 114.554 -0.136 0.000 2.849 699 T HA 0.382 4.735 4.350 0.005 0.000 0.284 699 T C 0.311 174.995 174.700 -0.027 0.000 1.004 699 T CA -0.501 61.483 62.100 -0.193 0.000 1.021 699 T CB 0.826 69.688 68.868 -0.010 0.000 1.013 699 T HN 0.238 nan 8.240 nan 0.000 0.527 700 S N 1.119 116.820 115.700 0.002 0.000 2.568 700 S HA 0.181 4.654 4.470 0.005 0.000 0.282 700 S C 0.362 175.043 174.600 0.136 0.000 1.338 700 S CA -0.320 57.919 58.200 0.064 0.000 1.045 700 S CB -0.127 63.088 63.200 0.025 0.000 0.873 700 S HN 0.931 nan 8.310 nan 0.000 0.516 701 Y N -0.253 120.063 120.300 0.027 0.000 2.594 701 Y HA 0.384 4.937 4.550 0.006 0.000 0.283 701 Y C 0.485 176.423 175.900 0.063 0.000 1.140 701 Y CA -0.654 57.483 58.100 0.062 0.000 1.261 701 Y CB -0.429 38.081 38.460 0.083 0.000 1.358 701 Y HN 0.466 nan 8.280 nan 0.000 0.513 702 D N 2.098 122.030 120.400 -0.780 0.000 2.533 702 D HA -0.102 4.540 4.640 0.005 0.000 0.236 702 D C 0.479 176.672 176.300 -0.180 0.000 1.137 702 D CA 0.517 54.216 54.000 -0.501 0.000 0.867 702 D CB 0.668 41.108 40.800 -0.600 0.000 1.170 702 D HN 0.385 nan 8.370 nan 0.000 0.474 703 N N 2.274 120.926 118.700 -0.081 0.000 2.251 703 N HA -0.109 4.634 4.740 0.005 0.000 0.181 703 N C 1.240 176.727 175.510 -0.038 0.000 1.019 703 N CA 0.571 53.603 53.050 -0.030 0.000 0.862 703 N CB 0.156 38.649 38.487 0.009 0.000 0.992 703 N HN 0.612 nan 8.380 nan 0.000 0.429 704 E N 0.114 120.285 120.200 -0.048 0.000 2.478 704 E HA -0.059 4.294 4.350 0.005 0.000 0.198 704 E C -0.123 176.439 176.600 -0.062 0.000 1.046 704 E CA 0.596 56.970 56.400 -0.044 0.000 0.870 704 E CB -0.235 29.443 29.700 -0.037 0.000 0.818 704 E HN 0.092 nan 8.360 nan 0.000 0.527 705 N N 0.621 119.266 118.700 -0.092 0.000 3.466 705 N HA -0.057 4.686 4.740 0.005 0.000 0.217 705 N C 0.404 175.831 175.510 -0.139 0.000 1.265 705 N CA -0.038 52.948 53.050 -0.106 0.000 0.887 705 N CB 0.948 39.362 38.487 -0.122 0.000 1.626 705 N HN 0.054 nan 8.380 nan 0.000 0.700 706 Q N 1.745 121.499 119.800 -0.077 0.000 2.181 706 Q HA -0.079 4.264 4.340 0.005 0.000 0.205 706 Q C 0.787 176.748 176.000 -0.065 0.000 0.980 706 Q CA 1.060 56.832 55.803 -0.053 0.000 0.862 706 Q CB -0.022 28.748 28.738 0.054 0.000 0.905 706 Q HN 0.464 nan 8.270 nan 0.000 0.429 707 R N 0.872 121.323 120.500 -0.082 0.000 2.237 707 R HA 0.033 4.376 4.340 0.005 0.000 0.219 707 R C 0.303 176.508 176.300 -0.158 0.000 1.080 707 R CA 0.838 56.870 56.100 -0.113 0.000 0.995 707 R CB -0.307 29.827 30.300 -0.278 0.000 0.875 707 R HN 0.186 nan 8.270 nan 0.000 0.462 708 T N 4.327 118.765 114.554 -0.193 0.000 2.871 708 T HA 0.049 4.402 4.350 0.005 0.000 0.296 708 T C -2.103 172.506 174.700 -0.153 0.000 0.998 708 T CA -0.695 61.284 62.100 -0.201 0.000 1.162 708 T CB 0.840 69.561 68.868 -0.245 0.000 0.947 708 T HN 0.106 nan 8.240 nan 0.000 0.536 709 P HA 0.194 nan 4.420 nan 0.000 0.281 709 P C 0.385 177.798 177.300 0.188 0.000 1.249 709 P CA -0.862 62.154 63.100 -0.139 0.000 0.810 709 P CB 0.541 31.816 31.700 -0.709 0.000 1.008 710 C N 3.359 122.776 119.300 0.195 0.000 2.275 710 C HA 0.058 4.521 4.460 0.005 0.000 0.391 710 C C 1.444 176.507 174.990 0.123 0.000 1.503 710 C CA 0.798 59.833 59.018 0.027 0.000 1.502 710 C CB -1.671 26.030 27.740 -0.066 0.000 2.529 710 C HN 0.803 nan 8.230 nan 0.000 0.588 711 T N 3.612 118.205 114.554 0.066 0.000 2.856 711 T HA 0.368 4.721 4.350 0.005 0.000 0.306 711 T C 1.420 176.141 174.700 0.034 0.000 1.062 711 T CA 0.313 62.489 62.100 0.126 0.000 1.083 711 T CB 1.177 70.105 68.868 0.099 0.000 0.984 711 T HN 1.203 nan 8.240 nan 0.000 0.542 712 G N 0.874 109.729 108.800 0.091 0.000 2.442 712 G HA2 -0.223 3.740 3.960 0.005 0.000 0.219 712 G HA3 -0.223 3.740 3.960 0.005 0.000 0.219 712 G C 1.215 176.048 174.900 -0.111 0.000 1.141 712 G CA 1.111 46.174 45.100 -0.062 0.000 0.763 712 G HN 0.885 nan 8.290 nan 0.000 0.554 713 D N -0.087 120.295 120.400 -0.030 0.000 2.085 713 D HA -0.081 4.562 4.640 0.005 0.000 0.199 713 D C 2.365 178.637 176.300 -0.046 0.000 0.981 713 D CA 0.543 54.528 54.000 -0.025 0.000 0.834 713 D CB -0.382 40.426 40.800 0.013 0.000 0.992 713 D HN 0.091 nan 8.370 nan 0.000 0.457 714 L N 0.122 121.321 121.223 -0.040 0.000 2.081 714 L HA -0.156 4.187 4.340 0.005 0.000 0.212 714 L C 2.170 179.038 176.870 -0.002 0.000 1.080 714 L CA 1.675 56.492 54.840 -0.039 0.000 0.754 714 L CB -0.780 41.241 42.059 -0.063 0.000 0.893 714 L HN 0.186 nan 8.230 nan 0.000 0.433 715 M N -1.364 118.178 119.600 -0.097 0.000 2.067 715 M HA -0.141 4.342 4.480 0.005 0.000 0.260 715 M C 2.181 178.437 176.300 -0.075 0.000 1.069 715 M CA 2.021 57.232 55.300 -0.148 0.000 1.117 715 M CB -0.900 31.371 32.600 -0.548 0.000 1.334 715 M HN 0.055 nan 8.290 nan 0.000 0.407 716 V N 0.963 120.808 119.914 -0.115 0.000 2.324 716 V HA -0.310 3.813 4.120 0.005 0.000 0.250 716 V C 2.608 178.641 176.094 -0.101 0.000 1.060 716 V CA 1.885 64.129 62.300 -0.093 0.000 1.042 716 V CB -0.850 30.923 31.823 -0.083 0.000 0.650 716 V HN 0.438 nan 8.190 nan 0.000 0.450 717 R N -1.640 118.818 120.500 -0.070 0.000 2.148 717 R HA -0.061 4.282 4.340 0.005 0.000 0.223 717 R C 2.047 178.331 176.300 -0.026 0.000 1.088 717 R CA 0.928 56.980 56.100 -0.080 0.000 0.985 717 R CB -0.752 29.500 30.300 -0.080 0.000 0.880 717 R HN 0.528 nan 8.270 nan 0.000 0.451 718 Y N 0.566 120.837 120.300 -0.048 0.000 2.439 718 Y HA -0.088 4.464 4.550 0.004 0.000 0.292 718 Y C 2.209 178.147 175.900 0.063 0.000 1.130 718 Y CA 0.493 58.597 58.100 0.008 0.000 1.254 718 Y CB 0.136 38.592 38.460 -0.007 0.000 1.000 718 Y HN -0.259 nan 8.280 nan 0.000 0.554 719 V N -0.835 119.199 119.914 0.201 0.000 2.500 719 V HA -0.203 3.920 4.120 0.005 0.000 0.243 719 V C 1.935 178.109 176.094 0.133 0.000 1.039 719 V CA 1.441 63.875 62.300 0.224 0.000 1.053 719 V CB -0.236 31.663 31.823 0.126 0.000 0.695 719 V HN 0.302 nan 8.190 nan 0.000 0.463 720 Q N 0.435 120.167 119.800 -0.114 0.000 2.020 720 Q HA -0.153 4.190 4.340 0.005 0.000 0.202 720 Q C 2.429 178.448 176.000 0.032 0.000 0.982 720 Q CA 1.817 57.468 55.803 -0.252 0.000 0.838 720 Q CB -0.487 27.948 28.738 -0.506 0.000 0.899 720 Q HN 0.606 nan 8.270 nan 0.000 0.423 721 A N 1.003 123.865 122.820 0.071 0.000 1.978 721 A HA -0.134 4.189 4.320 0.005 0.000 0.220 721 A C 2.193 179.909 177.584 0.219 0.000 1.170 721 A CA 1.756 53.892 52.037 0.166 0.000 0.636 721 A CB -0.926 18.135 19.000 0.103 0.000 0.810 721 A HN 0.493 nan 8.150 nan 0.000 0.448 722 G N -1.114 107.828 108.800 0.238 0.000 2.744 722 G HA2 -0.042 3.921 3.960 0.005 0.000 0.211 722 G HA3 -0.042 3.921 3.960 0.005 0.000 0.211 722 G C 1.458 176.379 174.900 0.035 0.000 1.146 722 G CA 0.957 46.217 45.100 0.267 0.000 0.787 722 G HN 0.942 nan 8.290 nan 0.000 0.534 723 C N -0.674 118.554 119.300 -0.120 0.000 2.466 723 C HA 0.390 4.853 4.460 0.005 0.000 0.283 723 C C 1.835 176.627 174.990 -0.329 0.000 1.472 723 C CA 0.024 58.670 59.018 -0.619 0.000 1.765 723 C CB -1.075 26.573 27.740 -0.154 0.000 1.724 723 C HN 0.249 nan 8.230 nan 0.000 0.560 724 L N -0.478 120.726 121.223 -0.030 0.000 3.217 724 L HA 0.370 4.713 4.340 0.005 0.000 0.288 724 L C 0.576 177.517 176.870 0.118 0.000 1.202 724 L CA -0.230 54.656 54.840 0.078 0.000 1.027 724 L CB -0.027 42.172 42.059 0.234 0.000 1.427 724 L HN 0.220 nan 8.230 nan 0.000 0.600 725 L N 1.105 122.383 121.223 0.092 0.000 2.473 725 L HA 0.077 4.420 4.340 0.005 0.000 0.268 725 L C -1.036 175.933 176.870 0.165 0.000 1.215 725 L CA -1.260 53.632 54.840 0.087 0.000 0.823 725 L CB 0.297 42.410 42.059 0.089 0.000 1.099 725 L HN -0.179 nan 8.230 nan 0.000 0.483 726 P HA -0.180 nan 4.420 nan 0.000 0.215 726 P C -0.293 177.300 177.300 0.489 0.000 1.153 726 P CA 1.311 64.641 63.100 0.383 0.000 0.853 726 P CB 0.125 32.012 31.700 0.312 0.000 0.788 727 W N 0.351 121.763 121.300 0.187 0.000 2.413 727 W HA 0.370 5.033 4.660 0.004 0.000 0.308 727 W C -1.723 174.967 176.519 0.286 0.000 0.997 727 W CA -1.064 56.375 57.345 0.157 0.000 1.447 727 W CB 0.476 29.965 29.460 0.049 0.000 1.263 727 W HN -0.261 nan 8.180 nan 0.000 0.416 728 F N 7.334 127.122 119.950 -0.270 0.000 2.368 728 F HA 0.399 4.929 4.527 0.005 0.000 0.362 728 F C -0.279 175.257 175.800 -0.441 0.000 1.137 728 F CA -0.716 57.174 58.000 -0.182 0.000 1.161 728 F CB 0.372 39.428 39.000 0.093 0.000 1.265 728 F HN 0.417 nan 8.300 nan 0.000 0.530 729 R N 5.114 125.286 120.500 -0.547 0.000 2.531 729 R HA 0.193 4.536 4.340 0.005 0.000 0.293 729 R C -1.226 174.948 176.300 -0.210 0.000 1.124 729 R CA -0.600 55.171 56.100 -0.548 0.000 0.945 729 R CB 0.679 30.455 30.300 -0.874 0.000 1.195 729 R HN 0.540 nan 8.270 nan 0.000 0.433 730 N N 4.284 122.960 118.700 -0.040 0.000 2.402 730 N HA 0.026 4.769 4.740 0.005 0.000 0.252 730 N C -1.453 174.143 175.510 0.145 0.000 1.118 730 N CA 0.380 53.473 53.050 0.072 0.000 0.945 730 N CB 0.439 39.069 38.487 0.239 0.000 1.147 730 N HN 0.700 nan 8.380 nan 0.000 0.495 731 H N 3.401 122.528 119.070 0.095 0.000 2.930 731 H HA 0.362 4.921 4.556 0.005 0.000 0.371 731 H C -1.490 174.125 175.328 0.478 0.000 1.169 731 H CA -0.545 55.625 56.048 0.203 0.000 1.157 731 H CB 1.592 31.307 29.762 -0.080 0.000 1.789 731 H HN 0.576 nan 8.280 nan 0.000 0.547 732 Y N 0.782 120.801 120.300 -0.469 0.000 2.764 732 Y HA 0.345 4.898 4.550 0.004 0.000 0.331 732 Y C -1.823 173.932 175.900 -0.242 0.000 1.280 732 Y CA -1.193 56.769 58.100 -0.230 0.000 1.065 732 Y CB 1.060 39.438 38.460 -0.136 0.000 1.319 732 Y HN 0.509 nan 8.280 nan 0.000 0.453 733 D N 1.383 121.413 120.400 -0.615 0.000 2.274 733 D HA 0.288 4.931 4.640 0.005 0.000 0.239 733 D C -0.994 175.150 176.300 -0.261 0.000 1.104 733 D CA -0.384 53.310 54.000 -0.510 0.000 0.840 733 D CB 0.868 41.206 40.800 -0.769 0.000 1.100 733 D HN 0.664 nan 8.370 nan 0.000 0.477 734 R N 4.270 124.564 120.500 -0.343 0.000 2.343 734 R HA 0.241 4.584 4.340 0.005 0.000 0.320 734 R C -0.917 175.304 176.300 -0.132 0.000 0.956 734 R CA -0.923 55.071 56.100 -0.176 0.000 0.836 734 R CB 0.591 30.722 30.300 -0.282 0.000 1.151 734 R HN 0.554 nan 8.270 nan 0.000 0.450 735 W N 7.773 128.995 121.300 -0.130 0.000 2.417 735 W HA 0.131 4.792 4.660 0.003 0.000 0.332 735 W C -0.376 176.053 176.519 -0.150 0.000 1.413 735 W CA 0.222 57.478 57.345 -0.149 0.000 1.299 735 W CB 0.275 29.685 29.460 -0.083 0.000 1.304 735 W HN 0.526 nan 8.180 nan 0.000 0.565 736 I N 2.005 122.207 120.570 -0.613 0.000 2.894 736 I HA 0.340 4.513 4.170 0.005 0.000 0.302 736 I C 0.872 176.391 176.117 -0.997 0.000 1.188 736 I CA -1.067 59.940 61.300 -0.489 0.000 1.014 736 I CB 2.120 39.933 38.000 -0.311 0.000 1.242 736 I HN 0.496 nan 8.210 nan 0.000 0.430 737 E N 2.153 122.051 120.200 -0.503 0.000 2.086 737 E HA -0.258 4.095 4.350 0.005 0.000 0.200 737 E C 1.539 177.903 176.600 -0.393 0.000 1.012 737 E CA 2.647 58.824 56.400 -0.371 0.000 0.812 737 E CB 0.110 29.769 29.700 -0.068 0.000 0.743 737 E HN 0.821 nan 8.360 nan 0.000 0.453 738 S N -0.861 114.639 115.700 -0.333 0.000 2.671 738 S HA 0.080 4.553 4.470 0.005 0.000 0.220 738 S C 0.440 174.843 174.600 -0.328 0.000 0.951 738 S CA -0.219 57.827 58.200 -0.258 0.000 0.932 738 S CB 0.244 63.339 63.200 -0.176 0.000 0.777 738 S HN 0.184 nan 8.310 nan 0.000 0.508 739 K N 1.713 121.802 120.400 -0.517 0.000 2.805 739 K HA 0.085 4.408 4.320 0.005 0.000 0.276 739 K C -1.614 174.440 176.600 -0.909 0.000 1.209 739 K CA -0.110 55.804 56.287 -0.623 0.000 1.065 739 K CB 0.341 32.415 32.500 -0.709 0.000 1.363 739 K HN 0.161 nan 8.250 nan 0.000 0.546 740 D N 2.300 122.263 120.400 -0.730 0.000 2.652 740 D HA 0.015 4.658 4.640 0.005 0.000 0.247 740 D C -0.098 175.880 176.300 -0.537 0.000 1.232 740 D CA 0.213 53.667 54.000 -0.910 0.000 0.863 740 D CB -0.318 40.269 40.800 -0.355 0.000 1.023 740 D HN 0.574 nan 8.370 nan 0.000 0.474 741 H N -3.243 115.557 119.070 -0.451 0.000 2.851 741 H HA 0.782 5.341 4.556 0.004 0.000 0.372 741 H C 0.400 175.681 175.328 -0.079 0.000 1.158 741 H CA -0.705 55.278 56.048 -0.108 0.000 1.159 741 H CB 1.625 31.356 29.762 -0.051 0.000 1.757 741 H HN 0.195 nan 8.280 nan 0.000 0.546 742 G N 0.921 109.859 108.800 0.231 0.000 2.422 742 G HA2 0.005 3.968 3.960 0.005 0.000 0.607 742 G HA3 0.005 3.968 3.960 0.005 0.000 0.607 742 G C -1.401 173.611 174.900 0.186 0.000 1.270 742 G CA -0.849 44.330 45.100 0.132 0.000 0.992 742 G HN 0.744 nan 8.290 nan 0.000 0.499 743 K N -0.499 119.994 120.400 0.154 0.000 2.139 743 K HA 0.500 4.822 4.320 0.005 0.000 0.243 743 K C 0.504 177.193 176.600 0.149 0.000 0.983 743 K CA -0.749 55.603 56.287 0.109 0.000 0.890 743 K CB 1.331 33.865 32.500 0.056 0.000 1.090 743 K HN 0.386 nan 8.250 nan 0.000 0.445 744 D N 0.054 120.444 120.400 -0.016 0.000 2.085 744 D HA -0.050 4.593 4.640 0.005 0.000 0.199 744 D C 0.124 176.510 176.300 0.144 0.000 0.981 744 D CA 1.692 55.707 54.000 0.025 0.000 0.834 744 D CB 0.129 40.883 40.800 -0.076 0.000 0.992 744 D HN 0.453 nan 8.370 nan 0.000 0.457 745 Y N -2.860 117.420 120.300 -0.032 0.000 2.677 745 Y HA 0.602 5.155 4.550 0.005 0.000 0.334 745 Y C 0.385 176.005 175.900 -0.467 0.000 1.154 745 Y CA -0.878 57.132 58.100 -0.151 0.000 1.070 745 Y CB 1.431 39.754 38.460 -0.229 0.000 1.294 745 Y HN -0.218 nan 8.280 nan 0.000 0.475 746 Q N -0.703 118.838 119.800 -0.432 0.000 1.784 746 Q HA 0.186 4.529 4.340 0.005 0.000 0.191 746 Q C -0.967 174.949 176.000 -0.139 0.000 0.694 746 Q CA -0.077 55.443 55.803 -0.472 0.000 0.794 746 Q CB 0.514 28.549 28.738 -1.173 0.000 1.209 746 Q HN 0.815 nan 8.270 nan 0.000 0.406 747 E N 1.314 121.386 120.200 -0.213 0.000 2.696 747 E HA -0.157 4.196 4.350 0.005 0.000 0.270 747 E C 0.770 177.210 176.600 -0.265 0.000 0.958 747 E CA 0.541 56.760 56.400 -0.302 0.000 0.964 747 E CB 0.387 29.511 29.700 -0.960 0.000 0.948 747 E HN 0.344 nan 8.360 nan 0.000 0.472 748 L N 2.156 123.337 121.223 -0.070 0.000 2.131 748 L HA -0.198 4.145 4.340 0.005 0.000 0.210 748 L C 1.916 178.746 176.870 -0.067 0.000 1.092 748 L CA 1.154 56.034 54.840 0.066 0.000 0.759 748 L CB -0.580 41.534 42.059 0.091 0.000 0.903 748 L HN 0.756 nan 8.230 nan 0.000 0.435 749 Y N -2.871 117.139 120.300 -0.484 0.000 2.616 749 Y HA 0.023 4.576 4.550 0.005 0.000 0.296 749 Y C 2.223 177.993 175.900 -0.217 0.000 1.154 749 Y CA 0.144 58.064 58.100 -0.300 0.000 1.325 749 Y CB -0.522 37.644 38.460 -0.489 0.000 1.007 749 Y HN 0.034 nan 8.280 nan 0.000 0.542 750 M N -0.108 119.073 119.600 -0.699 0.000 2.619 750 M HA 0.022 4.505 4.480 0.005 0.000 0.251 750 M C -0.795 175.124 176.300 -0.635 0.000 1.106 750 M CA 0.482 55.322 55.300 -0.766 0.000 1.086 750 M CB -1.014 30.935 32.600 -1.086 0.000 1.465 750 M HN 0.337 nan 8.290 nan 0.000 0.506 751 Y N 1.032 121.278 120.300 -0.090 0.000 2.717 751 Y HA 0.255 4.808 4.550 0.005 0.000 0.329 751 Y C -1.503 174.424 175.900 0.044 0.000 1.017 751 Y CA -2.110 55.996 58.100 0.010 0.000 1.275 751 Y CB 0.160 38.654 38.460 0.057 0.000 1.109 751 Y HN 0.059 nan 8.280 nan 0.000 0.511 752 P HA -0.107 nan 4.420 nan 0.000 0.217 752 P C 0.417 177.784 177.300 0.111 0.000 1.154 752 P CA 1.453 64.610 63.100 0.094 0.000 0.841 752 P CB 0.523 32.243 31.700 0.033 0.000 0.788 753 N N -0.219 118.549 118.700 0.114 0.000 2.381 753 N HA -0.112 4.631 4.740 0.005 0.000 0.182 753 N C 0.921 176.493 175.510 0.103 0.000 1.025 753 N CA 0.789 53.897 53.050 0.096 0.000 0.888 753 N CB -0.189 38.350 38.487 0.087 0.000 0.965 753 N HN 0.232 nan 8.380 nan 0.000 0.438 754 E N -0.638 119.648 120.200 0.143 0.000 2.538 754 E HA 0.174 4.527 4.350 0.005 0.000 0.207 754 E C 1.080 177.777 176.600 0.163 0.000 1.002 754 E CA -0.208 56.267 56.400 0.124 0.000 0.952 754 E CB 0.228 29.982 29.700 0.090 0.000 1.031 754 E HN 0.277 nan 8.360 nan 0.000 0.476 755 M N 0.655 120.368 119.600 0.188 0.000 2.080 755 M HA -0.216 4.267 4.480 0.005 0.000 0.260 755 M C 0.743 177.126 176.300 0.138 0.000 1.068 755 M CA 1.821 57.269 55.300 0.246 0.000 1.109 755 M CB 0.131 32.869 32.600 0.230 0.000 1.342 755 M HN 0.005 nan 8.290 nan 0.000 0.405 756 D N -0.080 120.361 120.400 0.069 0.000 2.104 756 D HA -0.157 4.486 4.640 0.005 0.000 0.194 756 D C 1.871 178.191 176.300 0.033 0.000 0.994 756 D CA 2.112 56.118 54.000 0.010 0.000 0.830 756 D CB -0.585 40.218 40.800 0.006 0.000 0.959 756 D HN 0.407 nan 8.370 nan 0.000 0.452 757 T N 0.768 115.376 114.554 0.091 0.000 2.746 757 T HA -0.089 4.264 4.350 0.005 0.000 0.267 757 T C 2.204 177.049 174.700 0.241 0.000 1.039 757 T CA 0.606 62.808 62.100 0.170 0.000 1.142 757 T CB -0.361 68.600 68.868 0.154 0.000 0.866 757 T HN 0.111 nan 8.240 nan 0.000 0.444 758 L N 0.518 121.866 121.223 0.209 0.000 1.989 758 L HA -0.148 4.195 4.340 0.005 0.000 0.211 758 L C 2.905 179.947 176.870 0.287 0.000 1.071 758 L CA 1.652 56.670 54.840 0.297 0.000 0.749 758 L CB -0.529 41.778 42.059 0.414 0.000 0.890 758 L HN 0.170 nan 8.230 nan 0.000 0.431 759 R N 1.130 121.616 120.500 -0.023 0.000 2.080 759 R HA -0.238 4.105 4.340 0.005 0.000 0.236 759 R C 2.411 178.658 176.300 -0.087 0.000 1.137 759 R CA 2.198 58.060 56.100 -0.396 0.000 0.943 759 R CB -0.230 29.617 30.300 -0.755 0.000 0.846 759 R HN 0.404 nan 8.270 nan 0.000 0.431 760 K N -0.779 119.600 120.400 -0.035 0.000 2.147 760 K HA -0.142 4.180 4.320 0.005 0.000 0.205 760 K C 1.724 178.275 176.600 -0.082 0.000 1.049 760 K CA 1.532 57.771 56.287 -0.080 0.000 0.936 760 K CB -0.306 32.112 32.500 -0.136 0.000 0.722 760 K HN 0.179 nan 8.250 nan 0.000 0.446 761 F N 1.423 121.396 119.950 0.039 0.000 2.325 761 F HA -0.064 4.466 4.527 0.005 0.000 0.299 761 F C 2.060 177.953 175.800 0.156 0.000 1.090 761 F CA 0.655 58.721 58.000 0.111 0.000 1.392 761 F CB 0.184 39.244 39.000 0.101 0.000 1.053 761 F HN -0.183 nan 8.300 nan 0.000 0.521 762 V N -0.978 119.104 119.914 0.280 0.000 2.788 762 V HA -0.155 3.968 4.120 0.005 0.000 0.251 762 V C 1.976 178.154 176.094 0.139 0.000 1.068 762 V CA 1.245 63.698 62.300 0.256 0.000 1.090 762 V CB -0.443 31.522 31.823 0.236 0.000 0.710 762 V HN 0.245 nan 8.190 nan 0.000 0.467 763 E N -0.166 120.073 120.200 0.065 0.000 2.077 763 E HA -0.211 4.142 4.350 0.005 0.000 0.193 763 E C 1.979 178.632 176.600 0.089 0.000 0.989 763 E CA 1.498 57.920 56.400 0.037 0.000 0.800 763 E CB -0.181 29.514 29.700 -0.007 0.000 0.746 763 E HN 0.554 nan 8.360 nan 0.000 0.452 764 F N 1.976 121.846 119.950 -0.132 0.000 2.010 764 F HA -0.231 4.299 4.527 0.005 0.000 0.296 764 F C 2.435 178.129 175.800 -0.177 0.000 1.146 764 F CA 2.087 59.932 58.000 -0.258 0.000 1.181 764 F CB -0.615 38.145 39.000 -0.400 0.000 0.965 764 F HN -0.188 nan 8.300 nan 0.000 0.480 765 R N -0.885 119.500 120.500 -0.191 0.000 2.168 765 R HA -0.326 4.017 4.340 0.005 0.000 0.242 765 R C 2.328 178.609 176.300 -0.032 0.000 1.123 765 R CA 2.669 58.664 56.100 -0.174 0.000 0.928 765 R CB -1.413 28.858 30.300 -0.049 0.000 0.873 765 R HN 0.379 nan 8.270 nan 0.000 0.434 766 Y N 0.587 120.843 120.300 -0.075 0.000 2.139 766 Y HA -0.229 4.323 4.550 0.005 0.000 0.282 766 Y C 2.663 178.515 175.900 -0.079 0.000 1.179 766 Y CA 2.045 60.119 58.100 -0.043 0.000 1.161 766 Y CB -0.394 38.086 38.460 0.033 0.000 0.970 766 Y HN 0.169 nan 8.280 nan 0.000 0.511 767 R N -1.718 118.788 120.500 0.010 0.000 2.139 767 R HA -0.227 4.116 4.340 0.005 0.000 0.243 767 R C 0.885 177.238 176.300 0.087 0.000 1.145 767 R CA 1.476 57.524 56.100 -0.086 0.000 0.976 767 R CB -0.401 29.769 30.300 -0.217 0.000 0.866 767 R HN 0.336 nan 8.270 nan 0.000 0.449 768 W N 1.734 122.925 121.300 -0.182 0.000 3.194 768 W HA 0.108 4.771 4.660 0.005 0.000 0.408 768 W C 1.293 177.681 176.519 -0.218 0.000 1.072 768 W CA -0.571 56.660 57.345 -0.189 0.000 1.953 768 W CB -0.334 28.976 29.460 -0.251 0.000 1.091 768 W HN 0.248 nan 8.180 nan 0.000 0.699 769 Q N -0.383 119.392 119.800 -0.041 0.000 2.197 769 Q HA -0.232 4.111 4.340 0.005 0.000 0.207 769 Q C 1.447 177.341 176.000 -0.177 0.000 0.984 769 Q CA 1.593 57.281 55.803 -0.193 0.000 0.869 769 Q CB -0.308 28.231 28.738 -0.332 0.000 0.906 769 Q HN 0.044 nan 8.270 nan 0.000 0.426 770 E N 1.037 121.184 120.200 -0.089 0.000 2.031 770 E HA -0.121 4.231 4.350 0.005 0.000 0.193 770 E C 2.386 178.945 176.600 -0.068 0.000 0.994 770 E CA 1.329 57.708 56.400 -0.035 0.000 0.800 770 E CB -0.526 29.163 29.700 -0.020 0.000 0.752 770 E HN 0.284 nan 8.360 nan 0.000 0.447 771 V N 1.906 121.749 119.914 -0.118 0.000 2.277 771 V HA -0.313 3.810 4.120 0.005 0.000 0.255 771 V C 2.581 178.539 176.094 -0.227 0.000 1.074 771 V CA 1.929 64.108 62.300 -0.201 0.000 1.058 771 V CB -0.803 30.814 31.823 -0.344 0.000 0.656 771 V HN 0.176 nan 8.190 nan 0.000 0.449 772 L N -2.012 119.024 121.223 -0.311 0.000 2.005 772 L HA -0.168 4.175 4.340 0.005 0.000 0.207 772 L C 2.501 178.963 176.870 -0.680 0.000 1.072 772 L CA 1.919 56.399 54.840 -0.600 0.000 0.744 772 L CB -0.787 40.712 42.059 -0.933 0.000 0.895 772 L HN 0.284 nan 8.230 nan 0.000 0.433 773 Y N 1.105 120.987 120.300 -0.697 0.000 2.139 773 Y HA -0.332 4.221 4.550 0.005 0.000 0.282 773 Y C 2.753 178.500 175.900 -0.255 0.000 1.179 773 Y CA 2.039 59.900 58.100 -0.399 0.000 1.161 773 Y CB -0.745 37.602 38.460 -0.189 0.000 0.970 773 Y HN 0.138 nan 8.280 nan 0.000 0.511 774 T N -0.041 114.447 114.554 -0.110 0.000 2.777 774 T HA -0.135 4.218 4.350 0.005 0.000 0.266 774 T C 2.150 176.797 174.700 -0.087 0.000 1.040 774 T CA 1.336 63.408 62.100 -0.046 0.000 1.141 774 T CB -0.726 68.164 68.868 0.038 0.000 0.868 774 T HN 0.434 nan 8.240 nan 0.000 0.444 775 A N 1.269 123.995 122.820 -0.157 0.000 1.940 775 A HA -0.115 4.208 4.320 0.005 0.000 0.219 775 A C 2.230 179.694 177.584 -0.199 0.000 1.176 775 A CA 1.890 53.829 52.037 -0.164 0.000 0.631 775 A CB -0.646 18.249 19.000 -0.175 0.000 0.814 775 A HN 0.425 nan 8.150 nan 0.000 0.446 776 M N -1.740 117.724 119.600 -0.228 0.000 2.099 776 M HA -0.098 4.385 4.480 0.005 0.000 0.262 776 M C 1.960 178.048 176.300 -0.353 0.000 1.067 776 M CA 1.933 57.110 55.300 -0.205 0.000 1.124 776 M CB -0.808 31.762 32.600 -0.051 0.000 1.353 776 M HN 0.515 nan 8.290 nan 0.000 0.410 777 Y N 1.117 121.048 120.300 -0.616 0.000 2.102 777 Y HA -0.351 4.202 4.550 0.005 0.000 0.280 777 Y C 2.069 177.656 175.900 -0.522 0.000 1.178 777 Y CA 2.529 60.219 58.100 -0.683 0.000 1.146 777 Y CB -0.891 37.184 38.460 -0.643 0.000 0.968 777 Y HN 0.444 nan 8.280 nan 0.000 0.504 778 Q N -0.274 119.177 119.800 -0.583 0.000 2.368 778 Q HA -0.205 4.138 4.340 0.005 0.000 0.210 778 Q C 1.959 177.622 176.000 -0.560 0.000 0.982 778 Q CA 1.235 56.653 55.803 -0.642 0.000 0.884 778 Q CB -0.249 28.348 28.738 -0.234 0.000 0.933 778 Q HN 0.626 nan 8.270 nan 0.000 0.460 779 N N -0.535 117.891 118.700 -0.456 0.000 2.499 779 N HA 0.013 4.756 4.740 0.005 0.000 0.182 779 N C 1.441 176.725 175.510 -0.376 0.000 1.034 779 N CA 0.729 53.581 53.050 -0.329 0.000 0.882 779 N CB 0.241 38.583 38.487 -0.243 0.000 1.125 779 N HN 0.130 nan 8.380 nan 0.000 0.436 780 A N 0.555 123.108 122.820 -0.445 0.000 2.066 780 A HA 0.232 4.554 4.320 0.005 0.000 0.218 780 A C 2.065 179.388 177.584 -0.435 0.000 1.157 780 A CA 1.380 53.180 52.037 -0.394 0.000 0.670 780 A CB -0.265 18.514 19.000 -0.369 0.000 0.804 780 A HN 0.428 nan 8.150 nan 0.000 0.453 781 A N -1.096 121.298 122.820 -0.710 0.000 1.887 781 A HA 0.415 4.738 4.320 0.005 0.000 0.210 781 A C 1.189 178.480 177.584 -0.488 0.000 1.221 781 A CA 1.160 52.683 52.037 -0.857 0.000 0.635 781 A CB -0.110 17.756 19.000 -1.891 0.000 0.881 781 A HN 0.548 nan 8.150 nan 0.000 0.456 782 F N -1.730 118.070 119.950 -0.249 0.000 2.781 782 F HA 0.483 5.013 4.527 0.005 0.000 0.322 782 F C 1.510 177.247 175.800 -0.104 0.000 1.108 782 F CA -0.478 57.445 58.000 -0.130 0.000 1.179 782 F CB -0.167 38.783 39.000 -0.083 0.000 1.072 782 F HN 0.375 nan 8.300 nan 0.000 0.545 783 G N 0.812 109.566 108.800 -0.077 0.000 2.184 783 G HA2 -0.315 3.648 3.960 0.005 0.000 0.264 783 G HA3 -0.315 3.648 3.960 0.005 0.000 0.264 783 G C 0.431 175.305 174.900 -0.044 0.000 0.975 783 G CA -0.104 44.950 45.100 -0.077 0.000 0.642 783 G HN 0.342 nan 8.290 nan 0.000 0.536 784 K N 1.970 122.361 120.400 -0.014 0.000 2.491 784 K HA 0.196 4.519 4.320 0.005 0.000 0.279 784 K C -2.030 174.536 176.600 -0.056 0.000 1.026 784 K CA -0.539 55.747 56.287 -0.000 0.000 1.070 784 K CB 0.578 33.089 32.500 0.018 0.000 0.887 784 K HN 0.246 nan 8.250 nan 0.000 0.481 785 P HA -0.021 nan 4.420 nan 0.000 0.269 785 P C 0.662 177.917 177.300 -0.075 0.000 1.209 785 P CA 0.136 63.207 63.100 -0.049 0.000 0.776 785 P CB 0.610 32.303 31.700 -0.011 0.000 0.876 786 I N 1.701 122.229 120.570 -0.069 0.000 2.133 786 I HA -0.108 4.065 4.170 0.005 0.000 0.238 786 I C 1.151 177.232 176.117 -0.061 0.000 1.074 786 I CA 1.173 62.428 61.300 -0.074 0.000 1.342 786 I CB -0.350 37.625 38.000 -0.043 0.000 1.053 786 I HN 0.199 nan 8.210 nan 0.000 0.404 787 I N 2.784 123.335 120.570 -0.030 0.000 2.416 787 I HA 0.122 4.295 4.170 0.005 0.000 0.288 787 I C 0.139 176.257 176.117 0.002 0.000 1.051 787 I CA 0.000 61.297 61.300 -0.006 0.000 1.375 787 I CB 0.307 38.262 38.000 -0.076 0.000 1.407 787 I HN 0.125 nan 8.210 nan 0.000 0.516 788 K N 5.266 125.691 120.400 0.043 0.000 2.244 788 K HA 0.642 4.965 4.320 0.005 0.000 0.260 788 K C -0.382 176.307 176.600 0.148 0.000 0.951 788 K CA -0.665 55.648 56.287 0.045 0.000 0.826 788 K CB 2.285 34.735 32.500 -0.083 0.000 1.108 788 K HN 0.642 nan 8.250 nan 0.000 0.433 789 A N 1.777 124.670 122.820 0.122 0.000 2.440 789 A HA 0.379 4.702 4.320 0.005 0.000 0.251 789 A C 1.357 179.038 177.584 0.160 0.000 1.089 789 A CA 0.383 52.497 52.037 0.129 0.000 0.779 789 A CB 0.381 19.404 19.000 0.037 0.000 1.022 789 A HN 0.853 nan 8.150 nan 0.000 0.492 790 A N 2.033 124.961 122.820 0.181 0.000 1.986 790 A HA -0.135 4.188 4.320 0.005 0.000 0.220 790 A C 2.170 179.848 177.584 0.156 0.000 1.171 790 A CA 2.347 54.490 52.037 0.176 0.000 0.640 790 A CB -0.993 18.088 19.000 0.136 0.000 0.811 790 A HN 1.620 nan 8.150 nan 0.000 0.451 791 S N -1.044 114.696 115.700 0.066 0.000 2.595 791 S HA 0.062 4.535 4.470 0.005 0.000 0.235 791 S C 1.372 175.966 174.600 -0.011 0.000 0.974 791 S CA 1.119 59.316 58.200 -0.006 0.000 0.942 791 S CB -0.431 62.673 63.200 -0.160 0.000 0.766 791 S HN 0.553 nan 8.310 nan 0.000 0.536 792 M N 0.107 119.756 119.600 0.082 0.000 2.495 792 M HA 0.271 4.753 4.480 0.005 0.000 0.237 792 M C -0.143 176.255 176.300 0.163 0.000 1.131 792 M CA 0.095 55.468 55.300 0.122 0.000 1.032 792 M CB 0.088 32.814 32.600 0.209 0.000 1.513 792 M HN 0.306 nan 8.290 nan 0.000 0.488 793 Y N 2.872 123.205 120.300 0.056 0.000 2.504 793 Y HA 0.173 4.726 4.550 0.005 0.000 0.351 793 Y C 0.046 175.922 175.900 -0.041 0.000 0.988 793 Y CA -1.123 56.963 58.100 -0.024 0.000 1.239 793 Y CB 0.063 38.559 38.460 0.059 0.000 1.128 793 Y HN 0.153 nan 8.280 nan 0.000 0.525 794 N N 4.956 123.476 118.700 -0.300 0.000 2.453 794 N HA -0.011 4.732 4.740 0.005 0.000 0.253 794 N C -0.202 175.213 175.510 -0.158 0.000 1.252 794 N CA 0.447 53.382 53.050 -0.192 0.000 0.917 794 N CB 0.150 38.512 38.487 -0.207 0.000 1.117 794 N HN 0.817 nan 8.380 nan 0.000 0.442 795 N N -1.246 117.422 118.700 -0.053 0.000 2.776 795 N HA -0.181 4.562 4.740 0.005 0.000 0.249 795 N C -1.484 174.069 175.510 0.072 0.000 1.111 795 N CA 0.500 53.543 53.050 -0.012 0.000 0.711 795 N CB -0.668 37.789 38.487 -0.050 0.000 1.065 795 N HN 0.601 nan 8.380 nan 0.000 0.556 796 D N 0.183 120.657 120.400 0.123 0.000 2.620 796 D HA 0.245 4.888 4.640 0.005 0.000 0.252 796 D C -0.003 176.345 176.300 0.081 0.000 1.207 796 D CA -0.416 53.690 54.000 0.177 0.000 0.884 796 D CB 1.004 42.018 40.800 0.358 0.000 1.262 796 D HN 0.171 nan 8.370 nan 0.000 0.552 797 S N 2.212 117.929 115.700 0.029 0.000 2.622 797 S HA 0.142 4.615 4.470 0.005 0.000 0.236 797 S C 0.715 175.251 174.600 -0.108 0.000 0.956 797 S CA -0.375 57.810 58.200 -0.026 0.000 0.971 797 S CB -0.130 63.058 63.200 -0.019 0.000 0.782 797 S HN 0.430 nan 8.310 nan 0.000 0.468 798 N N 0.787 119.371 118.700 -0.194 0.000 2.382 798 N HA 0.069 4.812 4.740 0.005 0.000 0.200 798 N C 1.634 176.865 175.510 -0.465 0.000 1.122 798 N CA 0.601 53.358 53.050 -0.488 0.000 0.870 798 N CB 0.156 38.007 38.487 -1.060 0.000 1.176 798 N HN 0.286 nan 8.380 nan 0.000 0.474 799 V N 0.308 120.107 119.914 -0.191 0.000 2.453 799 V HA -0.236 3.887 4.120 0.005 0.000 0.252 799 V C 2.192 178.254 176.094 -0.054 0.000 1.068 799 V CA 1.668 63.938 62.300 -0.050 0.000 1.070 799 V CB -0.663 31.217 31.823 0.094 0.000 0.664 799 V HN 0.250 nan 8.190 nan 0.000 0.461 800 R N 0.346 120.822 120.500 -0.041 0.000 2.096 800 R HA -0.134 4.209 4.340 0.005 0.000 0.235 800 R C 2.621 178.908 176.300 -0.022 0.000 1.127 800 R CA 1.635 57.742 56.100 0.012 0.000 0.968 800 R CB -0.322 29.992 30.300 0.022 0.000 0.861 800 R HN 0.506 nan 8.270 nan 0.000 0.440 801 R N -0.365 120.074 120.500 -0.101 0.000 2.236 801 R HA 0.009 4.352 4.340 0.005 0.000 0.208 801 R C 1.241 177.480 176.300 -0.103 0.000 1.036 801 R CA 1.047 57.084 56.100 -0.106 0.000 1.001 801 R CB 0.148 30.357 30.300 -0.152 0.000 0.896 801 R HN 0.262 nan 8.270 nan 0.000 0.464 802 A N 0.715 123.443 122.820 -0.153 0.000 2.348 802 A HA -0.026 4.297 4.320 0.005 0.000 0.224 802 A C 1.557 179.143 177.584 0.004 0.000 1.227 802 A CA -0.222 51.691 52.037 -0.206 0.000 0.885 802 A CB 0.053 18.721 19.000 -0.553 0.000 0.933 802 A HN 0.462 nan 8.150 nan 0.000 0.506 803 Q N -0.130 119.710 119.800 0.067 0.000 2.515 803 Q HA -0.001 4.342 4.340 0.005 0.000 0.214 803 Q C 0.076 176.198 176.000 0.203 0.000 0.971 803 Q CA 0.657 56.555 55.803 0.158 0.000 0.952 803 Q CB -0.346 28.492 28.738 0.167 0.000 0.999 803 Q HN 0.405 nan 8.270 nan 0.000 0.524 804 N N 1.443 120.265 118.700 0.202 0.000 2.398 804 N HA -0.020 4.723 4.740 0.005 0.000 0.188 804 N C -0.532 175.117 175.510 0.231 0.000 1.122 804 N CA 1.153 54.325 53.050 0.204 0.000 0.866 804 N CB 0.667 39.265 38.487 0.184 0.000 0.970 804 N HN 0.661 nan 8.380 nan 0.000 0.462 805 D N -3.618 116.961 120.400 0.299 0.000 2.599 805 D HA 0.003 4.646 4.640 0.005 0.000 0.472 805 D C -0.443 175.991 176.300 0.223 0.000 1.161 805 D CA -0.203 53.960 54.000 0.271 0.000 1.048 805 D CB -0.672 40.241 40.800 0.189 0.000 1.602 805 D HN 0.026 nan 8.370 nan 0.000 0.380 806 H N 0.467 119.633 119.070 0.159 0.000 2.458 806 H HA 0.730 5.289 4.556 0.005 0.000 0.330 806 H C -0.484 174.954 175.328 0.183 0.000 1.111 806 H CA -0.548 55.529 56.048 0.049 0.000 1.245 806 H CB 0.869 30.619 29.762 -0.020 0.000 1.456 806 H HN 0.147 nan 8.280 nan 0.000 0.488 807 F N 0.116 120.133 119.950 0.113 0.000 2.711 807 F HA 0.688 5.218 4.527 0.005 0.000 0.313 807 F C -2.085 173.754 175.800 0.065 0.000 1.141 807 F CA -1.268 56.786 58.000 0.090 0.000 0.941 807 F CB 0.887 39.934 39.000 0.078 0.000 1.349 807 F HN 0.237 nan 8.300 nan 0.000 0.464 808 L N 1.840 123.216 121.223 0.255 0.000 2.257 808 L HA 0.930 5.273 4.340 0.005 0.000 0.257 808 L C -0.837 176.085 176.870 0.086 0.000 1.033 808 L CA -0.975 53.937 54.840 0.119 0.000 0.835 808 L CB 2.240 44.390 42.059 0.152 0.000 1.398 808 L HN 0.926 nan 8.230 nan 0.000 0.429 809 L N -2.336 118.872 121.223 -0.025 0.000 3.055 809 L HA 0.812 5.155 4.340 0.005 0.000 0.260 809 L C -0.362 176.432 176.870 -0.126 0.000 0.986 809 L CA -0.500 54.292 54.840 -0.079 0.000 1.009 809 L CB 1.098 43.184 42.059 0.046 0.000 1.508 809 L HN 0.958 nan 8.230 nan 0.000 0.407 810 G N -0.668 108.035 108.800 -0.163 0.000 2.846 810 G HA2 0.485 4.448 3.960 0.005 0.000 0.660 810 G HA3 0.485 4.448 3.960 0.005 0.000 0.660 810 G C 0.478 175.258 174.900 -0.202 0.000 1.464 810 G CA 0.214 45.194 45.100 -0.199 0.000 0.891 810 G HN 3.187 nan 8.290 nan 0.000 0.552 811 G N -1.172 107.511 108.800 -0.195 0.000 2.757 811 G HA2 0.239 4.202 3.960 0.005 0.000 0.638 811 G HA3 0.239 4.202 3.960 0.005 0.000 0.638 811 G C 0.619 175.471 174.900 -0.080 0.000 1.344 811 G CA 1.176 46.189 45.100 -0.144 0.000 0.855 811 G HN 2.740 nan 8.290 nan 0.000 0.537 812 H N -1.195 117.882 119.070 0.012 0.000 2.460 812 H HA -0.045 4.514 4.556 0.005 0.000 0.297 812 H C 1.687 177.064 175.328 0.083 0.000 1.103 812 H CA 2.408 58.485 56.048 0.049 0.000 1.292 812 H CB 0.107 29.887 29.762 0.030 0.000 1.376 812 H HN 0.676 nan 8.280 nan 0.000 0.531 813 D N -2.174 117.994 120.400 -0.387 0.000 2.498 813 D HA 0.142 4.785 4.640 0.005 0.000 0.223 813 D C 1.624 177.938 176.300 0.023 0.000 1.125 813 D CA 0.434 54.359 54.000 -0.125 0.000 0.835 813 D CB 0.056 40.748 40.800 -0.179 0.000 1.086 813 D HN 0.588 nan 8.370 nan 0.000 0.510 814 G N 0.218 108.949 108.800 -0.114 0.000 2.159 814 G HA2 -0.272 3.691 3.960 0.005 0.000 0.227 814 G HA3 -0.272 3.691 3.960 0.005 0.000 0.227 814 G C -0.108 174.519 174.900 -0.455 0.000 0.986 814 G CA 0.190 45.139 45.100 -0.252 0.000 0.651 814 G HN 0.354 nan 8.290 nan 0.000 0.523 815 Y N -0.670 119.591 120.300 -0.066 0.000 2.685 815 Y HA 0.420 4.973 4.550 0.005 0.000 0.257 815 Y C 1.723 177.641 175.900 0.029 0.000 1.053 815 Y CA -0.723 57.404 58.100 0.045 0.000 1.106 815 Y CB 0.595 39.124 38.460 0.116 0.000 1.193 815 Y HN 0.074 nan 8.280 nan 0.000 0.602 816 R N 0.375 120.888 120.500 0.022 0.000 2.280 816 R HA 0.344 4.687 4.340 0.005 0.000 0.195 816 R C -0.176 176.137 176.300 0.021 0.000 0.935 816 R CA 0.498 56.566 56.100 -0.052 0.000 1.033 816 R CB 0.471 30.656 30.300 -0.192 0.000 0.964 816 R HN 0.329 nan 8.270 nan 0.000 0.489 817 I N 0.956 121.573 120.570 0.079 0.000 2.582 817 I HA 0.271 4.444 4.170 0.005 0.000 0.292 817 I C -1.190 174.998 176.117 0.118 0.000 1.066 817 I CA -1.231 60.138 61.300 0.115 0.000 1.053 817 I CB 2.470 40.488 38.000 0.029 0.000 1.241 817 I HN -0.249 nan 8.210 nan 0.000 0.421 818 L N 7.110 128.376 121.223 0.071 0.000 2.372 818 L HA 0.626 4.969 4.340 0.005 0.000 0.274 818 L C -1.227 175.532 176.870 -0.184 0.000 0.988 818 L CA -0.079 54.660 54.840 -0.168 0.000 0.833 818 L CB 1.216 42.936 42.059 -0.564 0.000 1.236 818 L HN 0.663 nan 8.230 nan 0.000 0.410 819 C N 4.366 123.347 119.300 -0.531 0.000 2.351 819 C HA 0.868 5.331 4.460 0.005 0.000 0.326 819 C C 0.678 175.303 174.990 -0.609 0.000 1.272 819 C CA -0.490 58.152 59.018 -0.627 0.000 1.650 819 C CB 0.655 27.719 27.740 -1.126 0.000 2.257 819 C HN 0.944 nan 8.230 nan 0.000 0.505 820 A N 4.871 127.475 122.820 -0.360 0.000 3.258 820 A HA 0.523 4.846 4.320 0.005 0.000 0.318 820 A C -2.570 174.916 177.584 -0.163 0.000 0.990 820 A CA -0.939 50.828 52.037 -0.451 0.000 0.885 820 A CB -0.075 18.381 19.000 -0.907 0.000 1.090 820 A HN 0.702 nan 8.150 nan 0.000 0.479 821 P HA 0.112 nan 4.420 nan 0.000 0.268 821 P C 0.346 177.662 177.300 0.026 0.000 1.204 821 P CA 0.414 63.524 63.100 0.017 0.000 0.768 821 P CB 1.014 32.760 31.700 0.076 0.000 0.842 822 V N 4.213 124.151 119.914 0.040 0.000 2.694 822 V HA -0.081 4.042 4.120 0.005 0.000 0.306 822 V C 1.611 177.714 176.094 0.015 0.000 1.054 822 V CA 0.699 63.046 62.300 0.079 0.000 1.161 822 V CB 0.719 32.596 31.823 0.090 0.000 0.916 822 V HN 0.522 nan 8.190 nan 0.000 0.490 823 V N 0.896 120.803 119.914 -0.013 0.000 2.988 823 V HA 0.470 4.593 4.120 0.005 0.000 0.356 823 V C -0.520 175.237 176.094 -0.562 0.000 1.380 823 V CA -0.567 61.565 62.300 -0.279 0.000 1.184 823 V CB -0.600 31.017 31.823 -0.344 0.000 1.204 823 V HN 0.730 nan 8.190 nan 0.000 0.530 824 W N -0.217 121.085 121.300 0.005 0.000 2.883 824 W HA 0.602 5.265 4.660 0.004 0.000 0.335 824 W C 0.144 176.663 176.519 -0.001 0.000 1.083 824 W CA -0.474 56.878 57.345 0.012 0.000 1.233 824 W CB 1.648 31.128 29.460 0.034 0.000 1.412 824 W HN -0.010 nan 8.180 nan 0.000 0.490 825 E N 1.333 121.693 120.200 0.265 0.000 2.390 825 E HA 0.067 4.420 4.350 0.005 0.000 0.261 825 E C 0.000 176.696 176.600 0.160 0.000 1.076 825 E CA 0.086 56.578 56.400 0.153 0.000 0.905 825 E CB 0.279 30.048 29.700 0.115 0.000 0.984 825 E HN 0.623 nan 8.360 nan 0.000 0.427 826 N N 1.055 119.817 118.700 0.103 0.000 2.688 826 N HA -0.235 4.508 4.740 0.005 0.000 0.258 826 N C -1.457 174.103 175.510 0.084 0.000 1.016 826 N CA 0.533 53.633 53.050 0.083 0.000 0.747 826 N CB -0.583 37.949 38.487 0.076 0.000 0.895 826 N HN 0.181 nan 8.380 nan 0.000 0.543 827 S N -0.453 115.302 115.700 0.091 0.000 2.668 827 S HA 0.468 4.941 4.470 0.005 0.000 0.277 827 S C 0.357 175.003 174.600 0.077 0.000 1.170 827 S CA -0.237 58.019 58.200 0.094 0.000 0.994 827 S CB 1.294 64.592 63.200 0.163 0.000 1.051 827 S HN 0.276 nan 8.310 nan 0.000 0.484 828 T N 0.894 115.482 114.554 0.056 0.000 3.182 828 T HA 0.492 4.845 4.350 0.005 0.000 0.277 828 T C -0.172 174.549 174.700 0.036 0.000 1.013 828 T CA -0.308 61.816 62.100 0.040 0.000 0.900 828 T CB -0.393 68.490 68.868 0.025 0.000 1.098 828 T HN 0.719 nan 8.240 nan 0.000 0.543 829 E N 0.629 120.867 120.200 0.063 0.000 2.437 829 E HA 0.797 5.150 4.350 0.005 0.000 0.280 829 E C -0.845 175.834 176.600 0.132 0.000 1.044 829 E CA -1.352 55.096 56.400 0.079 0.000 0.826 829 E CB 1.198 30.938 29.700 0.067 0.000 1.358 829 E HN 0.315 nan 8.360 nan 0.000 0.459 830 R N -1.093 119.516 120.500 0.182 0.000 2.728 830 R HA 0.441 4.784 4.340 0.005 0.000 0.274 830 R C -1.513 174.920 176.300 0.222 0.000 1.032 830 R CA -0.927 55.295 56.100 0.203 0.000 0.866 830 R CB 0.750 31.176 30.300 0.209 0.000 1.263 830 R HN 0.600 nan 8.270 nan 0.000 0.475 831 E N 1.576 121.884 120.200 0.181 0.000 2.129 831 E HA 0.294 4.646 4.350 0.005 0.000 0.283 831 E C -1.185 175.484 176.600 0.114 0.000 1.080 831 E CA -0.676 55.785 56.400 0.101 0.000 0.867 831 E CB 0.726 30.457 29.700 0.052 0.000 1.056 831 E HN 0.488 nan 8.360 nan 0.000 0.404 832 L N 6.244 127.485 121.223 0.029 0.000 2.282 832 L HA 0.340 4.683 4.340 0.005 0.000 0.288 832 L C -1.566 175.267 176.870 -0.062 0.000 1.033 832 L CA -0.671 54.183 54.840 0.025 0.000 0.807 832 L CB 0.908 42.768 42.059 -0.331 0.000 1.209 832 L HN 0.521 nan 8.230 nan 0.000 0.423 833 Y N 5.599 125.790 120.300 -0.182 0.000 2.328 833 Y HA 0.575 5.128 4.550 0.005 0.000 0.337 833 Y C -1.135 174.496 175.900 -0.449 0.000 0.966 833 Y CA -0.935 56.932 58.100 -0.388 0.000 1.136 833 Y CB 1.039 39.213 38.460 -0.477 0.000 1.170 833 Y HN 0.519 nan 8.280 nan 0.000 0.470 834 L N 9.106 129.604 121.223 -1.208 0.000 2.292 834 L HA 0.437 4.780 4.340 0.005 0.000 0.284 834 L C -2.342 173.697 176.870 -1.385 0.000 1.065 834 L CA -2.072 52.015 54.840 -1.255 0.000 0.806 834 L CB 0.971 42.465 42.059 -0.940 0.000 1.175 834 L HN 0.526 nan 8.230 nan 0.000 0.431 835 P HA 0.055 nan 4.420 nan 0.000 0.276 835 P C 0.012 177.240 177.300 -0.119 0.000 1.243 835 P CA -0.077 62.681 63.100 -0.569 0.000 0.768 835 P CB 1.167 32.290 31.700 -0.962 0.000 0.856 836 V N 6.105 126.042 119.914 0.038 0.000 3.566 836 V HA -0.048 4.075 4.120 0.005 0.000 0.301 836 V C 1.220 177.438 176.094 0.206 0.000 1.105 836 V CA 0.230 62.610 62.300 0.133 0.000 1.142 836 V CB -0.696 31.224 31.823 0.162 0.000 1.107 836 V HN 0.567 nan 8.190 nan 0.000 0.481 837 L N 1.603 122.890 121.223 0.106 0.000 3.843 837 L HA -0.187 4.156 4.340 0.005 0.000 0.411 837 L C 0.177 177.062 176.870 0.025 0.000 1.205 837 L CA 0.949 55.825 54.840 0.060 0.000 0.945 837 L CB -2.308 39.784 42.059 0.056 0.000 1.929 837 L HN 0.979 nan 8.230 nan 0.000 0.934 838 T N -1.866 112.670 114.554 -0.030 0.000 2.739 838 T HA 0.534 4.887 4.350 0.005 0.000 0.303 838 T C -1.496 172.998 174.700 -0.342 0.000 1.389 838 T CA -0.594 61.379 62.100 -0.212 0.000 1.001 838 T CB 2.017 70.689 68.868 -0.327 0.000 1.436 838 T HN 0.186 nan 8.240 nan 0.000 0.500 839 Q N 0.274 119.768 119.800 -0.510 0.000 2.351 839 Q HA 0.540 4.883 4.340 0.005 0.000 0.273 839 Q C -1.456 174.065 176.000 -0.799 0.000 1.077 839 Q CA -0.495 55.014 55.803 -0.490 0.000 0.843 839 Q CB 2.321 30.879 28.738 -0.301 0.000 1.367 839 Q HN 0.677 nan 8.270 nan 0.000 0.449 840 W N 0.258 121.348 121.300 -0.351 0.000 2.950 840 W HA 0.517 5.180 4.660 0.005 0.000 0.340 840 W C -1.031 175.230 176.519 -0.429 0.000 1.139 840 W CA -0.517 56.660 57.345 -0.281 0.000 1.188 840 W CB 1.228 30.518 29.460 -0.285 0.000 1.426 840 W HN 0.440 nan 8.180 nan 0.000 0.531 841 Y N 1.248 121.754 120.300 0.343 0.000 2.446 841 Y HA 0.323 4.876 4.550 0.005 0.000 0.345 841 Y C 0.347 176.424 175.900 0.295 0.000 0.984 841 Y CA -1.511 56.745 58.100 0.260 0.000 1.058 841 Y CB 1.701 40.273 38.460 0.188 0.000 1.220 841 Y HN 0.100 nan 8.280 nan 0.000 0.455 842 K N 3.185 123.753 120.400 0.280 0.000 2.383 842 K HA 0.191 4.514 4.320 0.005 0.000 0.286 842 K C -1.339 174.922 176.600 -0.565 0.000 1.051 842 K CA 0.346 56.587 56.287 -0.078 0.000 0.974 842 K CB 0.246 32.729 32.500 -0.028 0.000 0.968 842 K HN 0.628 nan 8.250 nan 0.000 0.475 843 F N 1.214 120.800 119.950 -0.606 0.000 2.953 843 F HA 0.647 5.176 4.527 0.005 0.000 0.360 843 F C 0.355 175.973 175.800 -0.304 0.000 1.249 843 F CA 0.566 58.291 58.000 -0.459 0.000 1.063 843 F CB 1.618 40.630 39.000 0.020 0.000 1.500 843 F HN 0.724 nan 8.300 nan 0.000 0.517 844 G N 0.459 108.938 108.800 -0.535 0.000 2.371 844 G HA2 0.025 3.988 3.960 0.005 0.000 0.663 844 G HA3 0.025 3.988 3.960 0.005 0.000 0.663 844 G C -2.711 171.266 174.900 -1.539 0.000 1.311 844 G CA -0.427 43.988 45.100 -1.142 0.000 0.985 844 G HN 0.413 nan 8.290 nan 0.000 0.566 845 P HA -0.038 nan 4.420 nan 0.000 0.216 845 P C 0.898 177.869 177.300 -0.549 0.000 1.150 845 P CA 1.824 64.320 63.100 -1.008 0.000 0.837 845 P CB 0.025 31.119 31.700 -1.011 0.000 0.786 846 D N -0.734 119.370 120.400 -0.494 0.000 2.183 846 D HA -0.071 4.572 4.640 0.005 0.000 0.203 846 D C 1.549 177.613 176.300 -0.394 0.000 0.969 846 D CA 0.761 54.529 54.000 -0.386 0.000 0.842 846 D CB -0.940 39.616 40.800 -0.407 0.000 0.957 846 D HN 0.219 nan 8.370 nan 0.000 0.484 847 F N 0.797 120.465 119.950 -0.469 0.000 2.805 847 F HA -0.036 4.494 4.527 0.005 0.000 0.301 847 F C 1.705 177.356 175.800 -0.247 0.000 1.196 847 F CA 0.320 58.082 58.000 -0.396 0.000 1.439 847 F CB 0.031 38.665 39.000 -0.611 0.000 1.117 847 F HN -0.163 nan 8.300 nan 0.000 0.581 848 D N -0.740 119.629 120.400 -0.053 0.000 2.333 848 D HA -0.054 4.589 4.640 0.005 0.000 0.208 848 D C 1.445 177.864 176.300 0.199 0.000 0.984 848 D CA 1.130 55.237 54.000 0.179 0.000 0.873 848 D CB 0.150 41.079 40.800 0.216 0.000 0.935 848 D HN 0.149 nan 8.370 nan 0.000 0.521 849 T N -2.549 112.047 114.554 0.071 0.000 3.393 849 T HA 0.289 4.642 4.350 0.005 0.000 0.298 849 T C 0.102 174.804 174.700 0.003 0.000 1.004 849 T CA -0.773 61.365 62.100 0.064 0.000 0.956 849 T CB 0.021 68.908 68.868 0.031 0.000 1.182 849 T HN 0.163 nan 8.240 nan 0.000 0.497 850 K N -0.523 119.872 120.400 -0.008 0.000 2.533 850 K HA 0.770 5.092 4.320 0.005 0.000 0.284 850 K C -3.623 173.016 176.600 0.065 0.000 1.025 850 K CA -2.266 54.003 56.287 -0.029 0.000 0.900 850 K CB 0.540 32.943 32.500 -0.162 0.000 1.519 850 K HN -0.195 nan 8.250 nan 0.000 0.432 851 P HA 0.295 nan 4.420 nan 0.000 0.288 851 P C -0.623 176.856 177.300 0.298 0.000 1.267 851 P CA -0.685 62.507 63.100 0.154 0.000 0.815 851 P CB 0.574 32.331 31.700 0.095 0.000 0.989 852 L N 1.368 122.807 121.223 0.360 0.000 2.554 852 L HA -0.011 4.332 4.340 0.005 0.000 0.293 852 L C 1.244 178.373 176.870 0.432 0.000 1.252 852 L CA 0.506 55.626 54.840 0.467 0.000 0.862 852 L CB -0.361 41.844 42.059 0.244 0.000 1.113 852 L HN 0.373 nan 8.230 nan 0.000 0.510 853 E N 0.857 121.366 120.200 0.515 0.000 2.376 853 E HA 0.265 4.618 4.350 0.005 0.000 0.254 853 E C 0.352 177.173 176.600 0.368 0.000 1.213 853 E CA -0.339 56.294 56.400 0.389 0.000 0.945 853 E CB 0.445 30.378 29.700 0.388 0.000 1.057 853 E HN 0.732 nan 8.360 nan 0.000 0.479 854 G N -0.100 108.865 108.800 0.275 0.000 2.630 854 G HA2 0.254 4.217 3.960 0.005 0.000 0.236 854 G HA3 0.254 4.217 3.960 0.005 0.000 0.236 854 G C -0.085 174.934 174.900 0.198 0.000 1.248 854 G CA -0.049 45.199 45.100 0.246 0.000 0.844 854 G HN 0.534 nan 8.290 nan 0.000 0.588 855 A N 1.206 124.090 122.820 0.107 0.000 2.507 855 A HA 0.430 4.753 4.320 0.005 0.000 0.235 855 A C 0.378 177.860 177.584 -0.170 0.000 1.070 855 A CA 0.364 52.217 52.037 -0.307 0.000 0.768 855 A CB 0.246 19.107 19.000 -0.231 0.000 1.011 855 A HN 0.759 nan 8.150 nan 0.000 0.502 856 M N 2.666 122.126 119.600 -0.233 0.000 2.053 856 M HA 0.210 4.693 4.480 0.005 0.000 0.297 856 M C -0.964 175.297 176.300 -0.066 0.000 0.921 856 M CA -0.681 54.568 55.300 -0.085 0.000 0.918 856 M CB 0.797 33.380 32.600 -0.029 0.000 1.499 856 M HN 0.782 nan 8.290 nan 0.000 0.422 857 N N 2.740 121.408 118.700 -0.054 0.000 2.412 857 N HA 0.104 4.847 4.740 0.005 0.000 0.258 857 N C 0.370 175.868 175.510 -0.020 0.000 1.236 857 N CA 0.274 53.300 53.050 -0.040 0.000 0.882 857 N CB 0.571 39.040 38.487 -0.030 0.000 1.066 857 N HN 0.820 nan 8.380 nan 0.000 0.465 858 G N 0.044 108.857 108.800 0.023 0.000 2.716 858 G HA2 0.354 4.317 3.960 0.005 0.000 0.251 858 G HA3 0.354 4.317 3.960 0.005 0.000 0.251 858 G C 1.051 175.904 174.900 -0.079 0.000 1.224 858 G CA 0.014 45.132 45.100 0.029 0.000 0.891 858 G HN 0.817 nan 8.290 nan 0.000 0.561 859 G N -0.864 107.832 108.800 -0.173 0.000 2.228 859 G HA2 -0.264 3.699 3.960 0.005 0.000 0.270 859 G HA3 -0.264 3.699 3.960 0.005 0.000 0.270 859 G C 0.298 175.217 174.900 0.032 0.000 0.976 859 G CA 0.703 45.794 45.100 -0.015 0.000 0.636 859 G HN 0.747 nan 8.290 nan 0.000 0.542 860 D N 0.224 120.536 120.400 -0.146 0.000 2.308 860 D HA 0.418 5.061 4.640 0.005 0.000 0.251 860 D C 0.639 176.899 176.300 -0.066 0.000 1.127 860 D CA -0.179 53.779 54.000 -0.070 0.000 0.876 860 D CB 0.961 41.705 40.800 -0.093 0.000 1.176 860 D HN 0.410 nan 8.370 nan 0.000 0.446 861 R N 3.208 123.737 120.500 0.049 0.000 2.255 861 R HA 0.456 4.799 4.340 0.005 0.000 0.326 861 R C -0.746 175.476 176.300 -0.130 0.000 0.986 861 R CA -0.509 55.574 56.100 -0.029 0.000 0.847 861 R CB 0.399 30.646 30.300 -0.088 0.000 1.111 861 R HN 0.390 nan 8.270 nan 0.000 0.452 862 I N 5.640 126.102 120.570 -0.180 0.000 2.382 862 I HA 0.242 4.415 4.170 0.005 0.000 0.285 862 I C -0.738 175.346 176.117 -0.056 0.000 1.007 862 I CA -0.818 60.452 61.300 -0.050 0.000 1.142 862 I CB 1.023 39.017 38.000 -0.011 0.000 1.289 862 I HN 0.559 nan 8.210 nan 0.000 0.453 863 Y N 4.078 124.442 120.300 0.107 0.000 2.300 863 Y HA 0.132 4.685 4.550 0.005 0.000 0.328 863 Y C 1.183 177.162 175.900 0.132 0.000 1.270 863 Y CA -0.130 58.034 58.100 0.108 0.000 1.352 863 Y CB 0.340 38.846 38.460 0.075 0.000 1.286 863 Y HN 0.592 nan 8.280 nan 0.000 0.536 864 N N -0.535 118.334 118.700 0.282 0.000 2.710 864 N HA -0.337 4.406 4.740 0.005 0.000 0.249 864 N C -1.201 174.430 175.510 0.202 0.000 1.059 864 N CA 0.132 53.303 53.050 0.201 0.000 0.720 864 N CB -1.511 37.071 38.487 0.158 0.000 0.983 864 N HN 0.496 nan 8.380 nan 0.000 0.544 865 Y N 2.113 122.474 120.300 0.102 0.000 2.650 865 Y HA 0.140 4.693 4.550 0.005 0.000 0.331 865 Y C -1.977 173.978 175.900 0.092 0.000 1.165 865 Y CA -2.157 55.999 58.100 0.094 0.000 1.473 865 Y CB 0.629 39.143 38.460 0.091 0.000 1.224 865 Y HN 0.096 nan 8.280 nan 0.000 0.533 866 P HA 0.057 nan 4.420 nan 0.000 0.271 866 P C -1.196 175.900 177.300 -0.340 0.000 1.226 866 P CA 0.198 63.135 63.100 -0.271 0.000 0.765 866 P CB 1.087 32.658 31.700 -0.215 0.000 0.835 867 V N 5.552 125.392 119.914 -0.125 0.000 2.558 867 V HA 0.210 4.333 4.120 0.005 0.000 0.261 867 V C -2.283 173.802 176.094 -0.015 0.000 0.958 867 V CA -1.814 60.452 62.300 -0.056 0.000 0.852 867 V CB 1.256 33.099 31.823 0.033 0.000 1.067 867 V HN 0.414 nan 8.190 nan 0.000 0.468 868 P HA 0.069 nan 4.420 nan 0.000 0.270 868 P C 0.960 178.267 177.300 0.010 0.000 1.227 868 P CA 0.055 63.154 63.100 -0.001 0.000 0.788 868 P CB 0.839 32.536 31.700 -0.004 0.000 0.926 869 Q N 1.281 121.089 119.800 0.013 0.000 2.112 869 Q HA -0.202 4.141 4.340 0.005 0.000 0.206 869 Q C 1.583 177.590 176.000 0.013 0.000 0.987 869 Q CA 2.357 58.164 55.803 0.008 0.000 0.858 869 Q CB -0.413 28.333 28.738 0.013 0.000 0.905 869 Q HN 0.567 nan 8.270 nan 0.000 0.420 870 S N -0.957 114.767 115.700 0.041 0.000 2.595 870 S HA -0.007 4.466 4.470 0.005 0.000 0.235 870 S C 0.102 174.812 174.600 0.183 0.000 0.974 870 S CA 0.142 58.399 58.200 0.094 0.000 0.942 870 S CB 0.027 63.264 63.200 0.062 0.000 0.766 870 S HN 0.326 nan 8.310 nan 0.000 0.536 871 E N 0.185 120.458 120.200 0.122 0.000 2.393 871 E HA 0.671 5.024 4.350 0.005 0.000 0.265 871 E C -1.151 175.518 176.600 0.115 0.000 0.941 871 E CA -0.913 55.596 56.400 0.181 0.000 0.801 871 E CB 2.023 31.771 29.700 0.080 0.000 1.313 871 E HN 0.174 nan 8.360 nan 0.000 0.435 872 S N 0.591 116.396 115.700 0.174 0.000 2.535 872 S HA 0.402 4.875 4.470 0.005 0.000 0.272 872 S C -2.967 171.657 174.600 0.040 0.000 1.149 872 S CA -1.438 56.802 58.200 0.068 0.000 0.888 872 S CB 1.384 64.567 63.200 -0.028 0.000 1.110 872 S HN 0.125 nan 8.310 nan 0.000 0.463 873 P HA 0.425 nan 4.420 nan 0.000 0.264 873 P C -1.083 176.094 177.300 -0.206 0.000 1.229 873 P CA 0.198 63.239 63.100 -0.099 0.000 0.780 873 P CB -0.142 31.678 31.700 0.200 0.000 0.808 874 I N 4.806 125.079 120.570 -0.494 0.000 2.576 874 I HA 0.299 4.472 4.170 0.005 0.000 0.279 874 I C -0.571 175.429 176.117 -0.195 0.000 1.114 874 I CA -0.369 60.848 61.300 -0.139 0.000 1.076 874 I CB 0.721 38.805 38.000 0.141 0.000 1.212 874 I HN 0.126 nan 8.210 nan 0.000 0.472 875 F N 4.635 124.634 119.950 0.082 0.000 2.458 875 F HA 0.709 5.238 4.527 0.005 0.000 0.330 875 F C 0.166 176.106 175.800 0.234 0.000 1.082 875 F CA -1.350 56.739 58.000 0.148 0.000 0.995 875 F CB 1.628 40.650 39.000 0.035 0.000 1.170 875 F HN -0.092 nan 8.300 nan 0.000 0.478 876 V N 2.288 122.409 119.914 0.345 0.000 2.483 876 V HA 0.426 4.549 4.120 0.005 0.000 0.295 876 V C 0.056 176.200 176.094 0.083 0.000 1.035 876 V CA -1.021 61.278 62.300 -0.000 0.000 0.896 876 V CB 1.627 32.967 31.823 -0.805 0.000 0.986 876 V HN 0.688 nan 8.190 nan 0.000 0.447 877 R N 2.540 122.982 120.500 -0.096 0.000 2.539 877 R HA 0.246 4.588 4.340 0.005 0.000 0.275 877 R C 0.493 176.659 176.300 -0.224 0.000 1.077 877 R CA -0.390 55.446 56.100 -0.439 0.000 1.097 877 R CB 0.732 30.702 30.300 -0.550 0.000 1.018 877 R HN 0.939 nan 8.270 nan 0.000 0.483 878 E N 1.569 121.645 120.200 -0.206 0.000 2.404 878 E HA 0.158 4.511 4.350 0.005 0.000 0.261 878 E C 0.174 176.754 176.600 -0.032 0.000 1.074 878 E CA 0.123 56.529 56.400 0.011 0.000 0.917 878 E CB 0.586 30.303 29.700 0.029 0.000 0.965 878 E HN 0.770 nan 8.360 nan 0.000 0.433 879 G N 1.000 109.821 108.800 0.036 0.000 2.204 879 G HA2 -0.077 3.886 3.960 0.005 0.000 0.244 879 G HA3 -0.077 3.886 3.960 0.005 0.000 0.244 879 G C -0.105 174.838 174.900 0.072 0.000 1.062 879 G CA -0.049 45.069 45.100 0.030 0.000 0.798 879 G HN 0.916 nan 8.290 nan 0.000 0.496 880 A N -0.363 122.513 122.820 0.094 0.000 2.350 880 A HA 0.912 5.235 4.320 0.005 0.000 0.324 880 A C -0.202 177.507 177.584 0.207 0.000 1.118 880 A CA -0.709 51.401 52.037 0.121 0.000 0.783 880 A CB 1.295 20.261 19.000 -0.056 0.000 1.236 880 A HN 0.846 nan 8.150 nan 0.000 0.457 881 I N 2.254 122.929 120.570 0.174 0.000 2.447 881 I HA 0.358 4.531 4.170 0.005 0.000 0.287 881 I C -1.074 175.162 176.117 0.197 0.000 1.023 881 I CA -0.158 61.258 61.300 0.193 0.000 1.083 881 I CB 1.730 39.789 38.000 0.098 0.000 1.245 881 I HN 0.446 nan 8.210 nan 0.000 0.434 882 L N 8.070 129.425 121.223 0.219 0.000 2.343 882 L HA 0.513 4.856 4.340 0.005 0.000 0.278 882 L C -2.278 174.650 176.870 0.098 0.000 0.996 882 L CA -1.872 53.009 54.840 0.068 0.000 0.831 882 L CB 2.160 44.158 42.059 -0.101 0.000 1.232 882 L HN 0.262 nan 8.230 nan 0.000 0.413 883 P HA 0.140 nan 4.420 nan 0.000 0.269 883 P C -0.664 176.609 177.300 -0.046 0.000 1.209 883 P CA 0.001 63.001 63.100 -0.167 0.000 0.776 883 P CB 1.124 32.754 31.700 -0.117 0.000 0.876 884 T N 2.519 117.059 114.554 -0.023 0.000 2.932 884 T HA 0.436 4.789 4.350 0.005 0.000 0.318 884 T C -0.758 174.007 174.700 0.108 0.000 1.265 884 T CA -0.732 61.449 62.100 0.136 0.000 1.036 884 T CB 1.399 70.435 68.868 0.280 0.000 1.209 884 T HN 0.290 nan 8.240 nan 0.000 0.484 885 R N 1.587 122.106 120.500 0.032 0.000 2.686 885 R HA 0.619 4.961 4.340 0.005 0.000 0.283 885 R C -1.530 174.775 176.300 0.008 0.000 0.978 885 R CA -0.699 55.490 56.100 0.148 0.000 0.897 885 R CB 1.856 32.297 30.300 0.235 0.000 1.192 885 R HN 0.679 nan 8.270 nan 0.000 0.457 886 Y N -0.744 119.698 120.300 0.236 0.000 2.633 886 Y HA 0.438 4.991 4.550 0.005 0.000 0.339 886 Y C 0.700 176.602 175.900 0.004 0.000 1.045 886 Y CA -1.036 57.173 58.100 0.181 0.000 1.098 886 Y CB 1.943 40.525 38.460 0.204 0.000 1.296 886 Y HN 0.493 nan 8.280 nan 0.000 0.494 887 T N -0.475 114.145 114.554 0.110 0.000 2.795 887 T HA 0.215 4.567 4.350 0.005 0.000 0.282 887 T C 0.689 175.358 174.700 -0.052 0.000 0.980 887 T CA -0.741 61.282 62.100 -0.128 0.000 1.012 887 T CB 1.375 70.126 68.868 -0.196 0.000 0.936 887 T HN 0.647 nan 8.240 nan 0.000 0.457 888 L N 2.534 123.690 121.223 -0.113 0.000 2.123 888 L HA -0.197 4.146 4.340 0.005 0.000 0.217 888 L C 1.507 178.386 176.870 0.016 0.000 1.081 888 L CA 2.000 56.804 54.840 -0.059 0.000 0.772 888 L CB -0.657 41.364 42.059 -0.063 0.000 0.890 888 L HN 0.939 nan 8.230 nan 0.000 0.437 889 N N -1.819 116.877 118.700 -0.006 0.000 2.401 889 N HA 0.171 4.914 4.740 0.005 0.000 0.264 889 N C 0.743 176.257 175.510 0.007 0.000 1.238 889 N CA 0.387 53.437 53.050 -0.001 0.000 0.889 889 N CB 0.227 38.704 38.487 -0.017 0.000 1.196 889 N HN 0.273 nan 8.380 nan 0.000 0.511 890 G N 1.206 110.027 108.800 0.035 0.000 2.372 890 G HA2 -0.295 3.667 3.960 0.005 0.000 0.290 890 G HA3 -0.295 3.667 3.960 0.005 0.000 0.290 890 G C -0.560 174.356 174.900 0.026 0.000 0.965 890 G CA 0.544 45.669 45.100 0.043 0.000 1.263 890 G HN 0.671 nan 8.290 nan 0.000 0.498 891 E N -0.005 120.212 120.200 0.027 0.000 2.343 891 E HA 0.159 4.512 4.350 0.005 0.000 0.286 891 E C -0.469 176.154 176.600 0.037 0.000 0.915 891 E CA -0.957 55.456 56.400 0.022 0.000 0.784 891 E CB 0.700 30.404 29.700 0.007 0.000 1.251 891 E HN 0.203 nan 8.360 nan 0.000 0.407 892 N N 4.712 123.443 118.700 0.051 0.000 2.438 892 N HA 0.046 4.789 4.740 0.005 0.000 0.267 892 N C -0.444 175.127 175.510 0.103 0.000 1.222 892 N CA 0.571 53.666 53.050 0.075 0.000 0.930 892 N CB 0.645 39.154 38.487 0.036 0.000 1.083 892 N HN 0.439 nan 8.380 nan 0.000 0.476 893 K N -0.661 119.845 120.400 0.175 0.000 2.279 893 K HA 0.495 4.817 4.320 0.005 0.000 0.238 893 K C -0.191 176.622 176.600 0.355 0.000 1.084 893 K CA -0.817 55.599 56.287 0.215 0.000 0.885 893 K CB 0.493 33.089 32.500 0.159 0.000 1.319 893 K HN 0.302 nan 8.250 nan 0.000 0.494 894 S N 0.272 116.162 115.700 0.317 0.000 2.565 894 S HA 0.162 4.635 4.470 0.005 0.000 0.276 894 S C 1.492 176.332 174.600 0.399 0.000 1.326 894 S CA -0.841 57.551 58.200 0.320 0.000 1.045 894 S CB 0.397 63.691 63.200 0.157 0.000 0.918 894 S HN 0.592 nan 8.310 nan 0.000 0.505 895 L N 1.667 123.039 121.223 0.249 0.000 2.129 895 L HA -0.232 4.111 4.340 0.005 0.000 0.212 895 L C 2.273 179.136 176.870 -0.012 0.000 1.087 895 L CA 2.004 56.736 54.840 -0.180 0.000 0.757 895 L CB -1.017 40.834 42.059 -0.347 0.000 0.896 895 L HN 0.923 nan 8.230 nan 0.000 0.434 896 N N -1.364 117.405 118.700 0.115 0.000 2.398 896 N HA -0.101 4.642 4.740 0.005 0.000 0.188 896 N C 1.115 176.822 175.510 0.329 0.000 1.122 896 N CA 0.850 54.033 53.050 0.222 0.000 0.866 896 N CB 0.073 38.669 38.487 0.183 0.000 0.970 896 N HN 0.251 nan 8.380 nan 0.000 0.462 897 T N -4.653 110.089 114.554 0.313 0.000 3.085 897 T HA 0.184 4.537 4.350 0.005 0.000 0.264 897 T C -0.217 174.647 174.700 0.273 0.000 1.019 897 T CA -0.583 61.670 62.100 0.256 0.000 0.910 897 T CB -0.459 68.515 68.868 0.176 0.000 1.059 897 T HN 0.001 nan 8.240 nan 0.000 0.542 898 Y N 3.436 123.797 120.300 0.101 0.000 2.480 898 Y HA 0.460 5.012 4.550 0.005 0.000 0.338 898 Y C 1.401 177.343 175.900 0.071 0.000 1.220 898 Y CA -0.406 57.745 58.100 0.085 0.000 1.430 898 Y CB 0.706 39.218 38.460 0.087 0.000 1.311 898 Y HN 0.331 nan 8.280 nan 0.000 0.575 899 T N -2.259 112.385 114.554 0.150 0.000 2.883 899 T HA 0.291 4.644 4.350 0.005 0.000 0.284 899 T C 0.457 175.192 174.700 0.059 0.000 1.041 899 T CA -0.856 61.296 62.100 0.087 0.000 1.007 899 T CB 1.341 70.217 68.868 0.014 0.000 1.220 899 T HN 0.425 nan 8.240 nan 0.000 0.552 900 D N 0.301 120.659 120.400 -0.069 0.000 2.350 900 D HA -0.011 4.632 4.640 0.005 0.000 0.216 900 D C 1.599 177.736 176.300 -0.271 0.000 0.968 900 D CA 0.550 54.339 54.000 -0.352 0.000 0.894 900 D CB 0.096 40.406 40.800 -0.818 0.000 0.909 900 D HN 0.535 nan 8.370 nan 0.000 0.520 901 E N 0.645 120.770 120.200 -0.124 0.000 2.418 901 E HA -0.041 4.312 4.350 0.005 0.000 0.197 901 E C -0.086 176.500 176.600 -0.022 0.000 1.026 901 E CA 0.468 56.827 56.400 -0.068 0.000 0.862 901 E CB 0.104 29.768 29.700 -0.060 0.000 0.799 901 E HN 0.383 nan 8.360 nan 0.000 0.518 902 D N 1.924 122.331 120.400 0.013 0.000 2.317 902 D HA 0.179 4.822 4.640 0.005 0.000 0.234 902 D C -2.444 173.945 176.300 0.147 0.000 1.112 902 D CA -1.819 52.183 54.000 0.003 0.000 0.840 902 D CB 1.361 42.122 40.800 -0.065 0.000 1.078 902 D HN -0.160 nan 8.370 nan 0.000 0.486 903 P HA -0.069 nan 4.420 nan 0.000 0.258 903 P C -0.199 177.306 177.300 0.341 0.000 1.172 903 P CA -0.187 62.995 63.100 0.138 0.000 0.762 903 P CB 0.326 31.691 31.700 -0.558 0.000 0.764 904 L N 6.610 128.092 121.223 0.431 0.000 2.260 904 L HA 0.327 4.669 4.340 0.005 0.000 0.289 904 L C -0.841 176.212 176.870 0.305 0.000 1.057 904 L CA -0.104 54.864 54.840 0.213 0.000 0.811 904 L CB 0.698 42.673 42.059 -0.140 0.000 1.184 904 L HN 0.040 nan 8.230 nan 0.000 0.429 905 V N 6.001 126.077 119.914 0.271 0.000 2.495 905 V HA 0.421 4.544 4.120 0.005 0.000 0.298 905 V C -0.475 175.670 176.094 0.086 0.000 1.031 905 V CA -0.382 62.156 62.300 0.397 0.000 0.871 905 V CB 1.502 33.697 31.823 0.620 0.000 0.988 905 V HN 0.502 nan 8.190 nan 0.000 0.432 906 F N 2.422 122.596 119.950 0.373 0.000 2.371 906 F HA 0.370 4.900 4.527 0.005 0.000 0.363 906 F C 0.722 176.599 175.800 0.127 0.000 1.122 906 F CA -0.325 57.831 58.000 0.261 0.000 1.129 906 F CB 0.992 40.185 39.000 0.321 0.000 1.173 906 F HN 0.509 nan 8.300 nan 0.000 0.489 907 E N 3.883 124.203 120.200 0.201 0.000 1.936 907 E HA 0.260 4.613 4.350 0.005 0.000 0.267 907 E C -0.815 175.737 176.600 -0.079 0.000 1.076 907 E CA -0.440 55.938 56.400 -0.036 0.000 0.870 907 E CB 0.610 30.257 29.700 -0.089 0.000 1.093 907 E HN 0.377 nan 8.360 nan 0.000 0.411 908 V N 5.959 125.828 119.914 -0.075 0.000 2.485 908 V HA 0.002 4.125 4.120 0.005 0.000 0.287 908 V C 0.271 176.250 176.094 -0.191 0.000 1.022 908 V CA 0.504 62.777 62.300 -0.045 0.000 1.067 908 V CB -0.566 31.230 31.823 -0.044 0.000 0.967 908 V HN 0.509 nan 8.190 nan 0.000 0.479 909 F N 5.583 125.487 119.950 -0.076 0.000 2.375 909 F HA 0.476 5.006 4.527 0.005 0.000 0.317 909 F C -1.707 174.012 175.800 -0.135 0.000 1.124 909 F CA -2.367 55.551 58.000 -0.136 0.000 1.050 909 F CB 0.431 39.345 39.000 -0.143 0.000 1.314 909 F HN 0.305 nan 8.300 nan 0.000 0.511 910 P HA 0.071 nan 4.420 nan 0.000 0.268 910 P C -0.795 176.554 177.300 0.083 0.000 1.205 910 P CA 0.044 63.140 63.100 -0.007 0.000 0.771 910 P CB 0.310 31.979 31.700 -0.052 0.000 0.858 911 L N 1.815 123.067 121.223 0.048 0.000 2.483 911 L HA 0.346 4.689 4.340 0.005 0.000 0.275 911 L C 1.337 178.230 176.870 0.039 0.000 1.220 911 L CA 0.330 55.190 54.840 0.033 0.000 0.833 911 L CB -0.207 41.856 42.059 0.007 0.000 1.102 911 L HN 0.416 nan 8.230 nan 0.000 0.490 912 G N 0.757 109.562 108.800 0.009 0.000 2.487 912 G HA2 0.327 4.290 3.960 0.005 0.000 0.314 912 G HA3 0.327 4.290 3.960 0.005 0.000 0.314 912 G C -0.208 174.678 174.900 -0.024 0.000 1.267 912 G CA -0.428 44.663 45.100 -0.014 0.000 0.937 912 G HN 0.756 nan 8.290 nan 0.000 0.481 913 N N 2.449 121.135 118.700 -0.022 0.000 2.738 913 N HA -0.204 4.539 4.740 0.005 0.000 0.249 913 N C 0.317 175.812 175.510 -0.024 0.000 1.047 913 N CA 0.966 54.002 53.050 -0.024 0.000 0.707 913 N CB -0.877 37.591 38.487 -0.031 0.000 0.937 913 N HN 0.887 nan 8.380 nan 0.000 0.545 914 N N -1.590 117.099 118.700 -0.017 0.000 2.696 914 N HA -0.251 4.492 4.740 0.005 0.000 0.249 914 N C 0.110 175.601 175.510 -0.031 0.000 1.090 914 N CA 1.478 54.517 53.050 -0.019 0.000 0.716 914 N CB -0.357 38.119 38.487 -0.019 0.000 1.020 914 N HN 0.638 nan 8.380 nan 0.000 0.548 915 R N 0.309 120.788 120.500 -0.035 0.000 2.725 915 R HA 0.796 5.139 4.340 0.005 0.000 0.277 915 R C -1.711 174.556 176.300 -0.055 0.000 0.987 915 R CA -0.200 55.867 56.100 -0.055 0.000 0.901 915 R CB 1.800 32.064 30.300 -0.061 0.000 1.207 915 R HN 0.126 nan 8.270 nan 0.000 0.463 916 A N 2.679 125.448 122.820 -0.085 0.000 2.532 916 A HA 0.522 4.844 4.320 0.005 0.000 0.296 916 A C -1.948 175.542 177.584 -0.157 0.000 1.058 916 A CA -0.831 51.158 52.037 -0.080 0.000 0.729 916 A CB 1.330 20.315 19.000 -0.026 0.000 1.285 916 A HN 0.763 nan 8.150 nan 0.000 0.396 917 D N -0.011 120.248 120.400 -0.235 0.000 2.490 917 D HA 0.764 5.407 4.640 0.005 0.000 0.232 917 D C 0.127 176.358 176.300 -0.114 0.000 1.053 917 D CA 0.053 53.835 54.000 -0.363 0.000 0.914 917 D CB 2.111 42.385 40.800 -0.876 0.000 1.431 917 D HN 0.905 nan 8.370 nan 0.000 0.483 918 G N -0.261 108.500 108.800 -0.064 0.000 2.698 918 G HA2 0.587 4.550 3.960 0.005 0.000 0.293 918 G HA3 0.587 4.550 3.960 0.005 0.000 0.293 918 G C -1.650 173.295 174.900 0.075 0.000 1.437 918 G CA -0.760 44.388 45.100 0.081 0.000 0.852 918 G HN 0.418 nan 8.290 nan 0.000 0.499 919 M N 0.504 120.195 119.600 0.151 0.000 2.484 919 M HA 0.639 5.122 4.480 0.005 0.000 0.289 919 M C -1.949 174.471 176.300 0.201 0.000 1.206 919 M CA -0.711 54.686 55.300 0.161 0.000 0.892 919 M CB 2.230 34.945 32.600 0.193 0.000 1.712 919 M HN 0.825 nan 8.290 nan 0.000 0.462 920 C N 4.484 123.909 119.300 0.210 0.000 2.620 920 C HA 0.452 4.915 4.460 0.005 0.000 0.356 920 C C -1.179 173.887 174.990 0.127 0.000 1.082 920 C CA -0.531 58.610 59.018 0.205 0.000 1.293 920 C CB 0.438 28.366 27.740 0.314 0.000 1.836 920 C HN 0.943 nan 8.230 nan 0.000 0.453 921 Y N 5.456 125.717 120.300 -0.065 0.000 2.497 921 Y HA 0.582 5.135 4.550 0.005 0.000 0.334 921 Y C -0.464 175.417 175.900 -0.032 0.000 1.199 921 Y CA 0.487 58.473 58.100 -0.190 0.000 1.425 921 Y CB 0.513 38.758 38.460 -0.358 0.000 1.291 921 Y HN 0.674 nan 8.280 nan 0.000 0.562 922 L N 6.934 127.901 121.223 -0.427 0.000 2.406 922 L HA 0.404 4.747 4.340 0.005 0.000 0.272 922 L C -1.153 175.328 176.870 -0.649 0.000 0.980 922 L CA -0.810 53.856 54.840 -0.291 0.000 0.831 922 L CB 1.686 43.668 42.059 -0.128 0.000 1.253 922 L HN 0.751 nan 8.230 nan 0.000 0.406 923 D N -0.158 119.952 120.400 -0.483 0.000 2.867 923 D HA 0.214 4.857 4.640 0.005 0.000 0.308 923 D C -0.076 175.794 176.300 -0.718 0.000 1.202 923 D CA -0.528 53.028 54.000 -0.740 0.000 1.035 923 D CB 0.559 41.304 40.800 -0.091 0.000 1.427 923 D HN 0.434 nan 8.370 nan 0.000 0.570 924 D N -2.064 118.162 120.400 -0.291 0.000 2.328 924 D HA 0.260 4.903 4.640 0.005 0.000 0.226 924 D C 1.487 177.832 176.300 0.076 0.000 1.066 924 D CA 0.442 54.458 54.000 0.025 0.000 0.861 924 D CB -0.043 40.873 40.800 0.193 0.000 0.912 924 D HN 0.858 nan 8.370 nan 0.000 0.521 925 G N -0.810 108.016 108.800 0.042 0.000 2.195 925 G HA2 -0.123 3.840 3.960 0.005 0.000 0.246 925 G HA3 -0.123 3.840 3.960 0.005 0.000 0.246 925 G C 1.162 176.078 174.900 0.028 0.000 0.984 925 G CA 0.200 45.302 45.100 0.004 0.000 0.633 925 G HN 1.410 nan 8.290 nan 0.000 0.525 926 G N -1.879 106.992 108.800 0.117 0.000 2.184 926 G HA2 -0.077 3.886 3.960 0.005 0.000 0.206 926 G HA3 -0.077 3.886 3.960 0.005 0.000 0.206 926 G C 1.315 176.403 174.900 0.312 0.000 0.995 926 G CA 1.069 46.233 45.100 0.107 0.000 0.651 926 G HN 1.482 nan 8.290 nan 0.000 0.511 927 V N 0.709 120.837 119.914 0.357 0.000 2.380 927 V HA 0.038 4.161 4.120 0.005 0.000 0.251 927 V C 1.704 177.820 176.094 0.038 0.000 1.063 927 V CA 2.732 65.068 62.300 0.059 0.000 1.055 927 V CB -0.768 31.016 31.823 -0.066 0.000 0.657 927 V HN 1.427 nan 8.190 nan 0.000 0.455 928 T N -2.636 111.961 114.554 0.071 0.000 2.909 928 T HA 0.377 4.730 4.350 0.005 0.000 0.299 928 T C 0.281 175.015 174.700 0.057 0.000 1.073 928 T CA 0.153 62.283 62.100 0.051 0.000 0.999 928 T CB 1.954 70.848 68.868 0.044 0.000 1.098 928 T HN 0.283 nan 8.240 nan 0.000 0.477 929 T N 0.016 114.593 114.554 0.039 0.000 3.330 929 T HA 0.234 4.587 4.350 0.005 0.000 0.249 929 T C 0.909 175.635 174.700 0.043 0.000 0.980 929 T CA -0.192 61.927 62.100 0.032 0.000 0.920 929 T CB -1.157 67.718 68.868 0.013 0.000 1.065 929 T HN 0.706 nan 8.240 nan 0.000 0.588 930 N N 0.739 119.477 118.700 0.062 0.000 2.354 930 N HA 0.130 4.873 4.740 0.005 0.000 0.179 930 N C 2.261 177.838 175.510 0.111 0.000 1.021 930 N CA 0.621 53.716 53.050 0.076 0.000 0.887 930 N CB -0.125 38.408 38.487 0.076 0.000 0.974 930 N HN 0.546 nan 8.380 nan 0.000 0.437 931 A N 2.329 125.225 122.820 0.126 0.000 1.851 931 A HA -0.226 4.097 4.320 0.005 0.000 0.216 931 A C 2.112 179.777 177.584 0.136 0.000 1.195 931 A CA 1.752 53.903 52.037 0.190 0.000 0.622 931 A CB -0.486 18.614 19.000 0.166 0.000 0.831 931 A HN 0.455 nan 8.150 nan 0.000 0.444 932 E N -0.530 119.697 120.200 0.044 0.000 2.230 932 E HA -0.134 4.219 4.350 0.005 0.000 0.192 932 E C 0.592 177.203 176.600 0.018 0.000 0.987 932 E CA 1.351 57.747 56.400 -0.007 0.000 0.841 932 E CB -0.463 29.209 29.700 -0.048 0.000 0.783 932 E HN 0.509 nan 8.360 nan 0.000 0.481 933 D N 1.313 121.734 120.400 0.034 0.000 2.289 933 D HA -0.031 4.612 4.640 0.005 0.000 0.207 933 D C -0.073 176.253 176.300 0.044 0.000 0.966 933 D CA 0.957 54.972 54.000 0.026 0.000 0.868 933 D CB 0.066 40.879 40.800 0.022 0.000 0.943 933 D HN 0.412 nan 8.370 nan 0.000 0.514 934 N N -2.032 116.713 118.700 0.075 0.000 2.570 934 N HA 0.248 4.991 4.740 0.005 0.000 0.261 934 N C 0.624 176.211 175.510 0.129 0.000 1.540 934 N CA -0.080 53.021 53.050 0.085 0.000 0.959 934 N CB 0.117 38.639 38.487 0.058 0.000 1.449 934 N HN -0.047 nan 8.380 nan 0.000 0.519 935 G N 0.306 109.237 108.800 0.219 0.000 2.233 935 G HA2 -0.393 3.569 3.960 0.005 0.000 0.270 935 G HA3 -0.393 3.569 3.960 0.005 0.000 0.270 935 G C 0.174 175.219 174.900 0.241 0.000 1.011 935 G CA 0.513 45.829 45.100 0.360 0.000 0.762 935 G HN 0.379 nan 8.290 nan 0.000 0.511 936 K N 0.287 120.827 120.400 0.233 0.000 3.006 936 K HA 0.476 4.798 4.320 0.005 0.000 0.265 936 K C 0.347 177.058 176.600 0.185 0.000 1.279 936 K CA -0.243 56.127 56.287 0.139 0.000 1.229 936 K CB -0.730 31.846 32.500 0.126 0.000 1.555 936 K HN 0.569 nan 8.250 nan 0.000 0.300 937 F N -3.159 116.739 119.950 -0.087 0.000 2.664 937 F HA 0.762 5.292 4.527 0.005 0.000 0.329 937 F C -0.354 175.262 175.800 -0.307 0.000 1.090 937 F CA -1.364 56.467 58.000 -0.280 0.000 0.978 937 F CB 1.131 39.898 39.000 -0.388 0.000 1.378 937 F HN -0.233 nan 8.300 nan 0.000 0.495 938 S N 0.293 115.693 115.700 -0.500 0.000 2.548 938 S HA 0.722 5.195 4.470 0.005 0.000 0.286 938 S C -1.464 172.905 174.600 -0.385 0.000 1.098 938 S CA -0.755 57.164 58.200 -0.468 0.000 0.930 938 S CB 1.975 64.943 63.200 -0.387 0.000 1.070 938 S HN 0.597 nan 8.310 nan 0.000 0.480 939 V N 2.706 122.490 119.914 -0.217 0.000 2.326 939 V HA 0.362 4.485 4.120 0.005 0.000 0.281 939 V C -0.321 175.787 176.094 0.024 0.000 1.015 939 V CA -0.628 61.601 62.300 -0.118 0.000 0.823 939 V CB 1.362 33.171 31.823 -0.023 0.000 1.009 939 V HN 0.701 nan 8.190 nan 0.000 0.436 940 V N 5.971 125.922 119.914 0.062 0.000 2.498 940 V HA 0.378 4.500 4.120 0.005 0.000 0.279 940 V C 0.317 176.446 176.094 0.058 0.000 1.048 940 V CA -0.301 62.059 62.300 0.101 0.000 0.967 940 V CB 1.558 33.482 31.823 0.168 0.000 0.988 940 V HN 0.728 nan 8.190 nan 0.000 0.473 941 K N 3.278 123.675 120.400 -0.004 0.000 2.259 941 K HA 0.767 5.090 4.320 0.005 0.000 0.252 941 K C -1.494 174.950 176.600 -0.260 0.000 0.936 941 K CA -0.592 55.654 56.287 -0.069 0.000 0.810 941 K CB 2.444 34.930 32.500 -0.023 0.000 1.143 941 K HN 0.425 nan 8.250 nan 0.000 0.427 942 V N 1.339 121.031 119.914 -0.369 0.000 2.808 942 V HA 0.771 4.894 4.120 0.005 0.000 0.308 942 V C -1.670 174.179 176.094 -0.408 0.000 1.099 942 V CA -0.405 61.505 62.300 -0.649 0.000 0.920 942 V CB 1.901 32.957 31.823 -1.278 0.000 1.014 942 V HN 0.938 nan 8.190 nan 0.000 0.425 943 A N 4.643 127.245 122.820 -0.364 0.000 2.469 943 A HA 1.073 5.396 4.320 0.005 0.000 0.299 943 A C -0.616 176.846 177.584 -0.203 0.000 1.098 943 A CA -0.202 51.690 52.037 -0.243 0.000 0.737 943 A CB 2.106 20.997 19.000 -0.182 0.000 1.312 943 A HN 2.215 nan 8.150 nan 0.000 0.414 944 A N 1.067 123.798 122.820 -0.149 0.000 2.437 944 A HA 0.721 5.043 4.320 0.005 0.000 0.293 944 A C -1.071 176.466 177.584 -0.078 0.000 1.038 944 A CA -0.353 51.621 52.037 -0.105 0.000 0.708 944 A CB 1.087 20.032 19.000 -0.092 0.000 1.251 944 A HN 0.751 nan 8.150 nan 0.000 0.409 945 E N 0.819 120.984 120.200 -0.059 0.000 2.272 945 E HA 0.474 4.827 4.350 0.005 0.000 0.269 945 E C -1.080 175.499 176.600 -0.034 0.000 0.877 945 E CA -0.700 55.672 56.400 -0.047 0.000 0.755 945 E CB 2.270 31.943 29.700 -0.045 0.000 1.192 945 E HN 0.578 nan 8.360 nan 0.000 0.422 946 Q N 2.006 121.789 119.800 -0.029 0.000 2.314 946 Q HA 0.279 4.622 4.340 0.005 0.000 0.259 946 Q C -1.689 174.299 176.000 -0.020 0.000 0.951 946 Q CA -0.355 55.434 55.803 -0.023 0.000 0.909 946 Q CB 1.180 29.907 28.738 -0.019 0.000 1.236 946 Q HN 0.397 nan 8.270 nan 0.000 0.444 947 D N 3.622 124.012 120.400 -0.018 0.000 2.446 947 D HA 0.501 5.144 4.640 0.005 0.000 0.251 947 D C 0.698 176.991 176.300 -0.013 0.000 1.137 947 D CA 0.747 54.738 54.000 -0.015 0.000 0.890 947 D CB 0.247 41.038 40.800 -0.015 0.000 1.071 947 D HN 0.731 nan 8.370 nan 0.000 0.528 948 G N 3.244 112.037 108.800 -0.011 0.000 2.793 948 G HA2 -0.379 3.584 3.960 0.005 0.000 0.334 948 G HA3 -0.379 3.584 3.960 0.005 0.000 0.334 948 G C 1.147 176.041 174.900 -0.011 0.000 1.186 948 G CA 0.361 45.455 45.100 -0.010 0.000 0.960 948 G HN 0.807 nan 8.290 nan 0.000 0.562 949 G N -0.374 108.419 108.800 -0.011 0.000 2.986 949 G HA2 0.434 4.397 3.960 0.005 0.000 0.213 949 G HA3 0.434 4.397 3.960 0.005 0.000 0.213 949 G C 0.571 175.461 174.900 -0.016 0.000 1.156 949 G CA 1.501 46.593 45.100 -0.013 0.000 0.763 949 G HN 0.870 nan 8.290 nan 0.000 0.547 950 T N 0.510 115.054 114.554 -0.016 0.000 2.824 950 T HA 0.487 4.839 4.350 0.005 0.000 0.280 950 T C -0.903 173.786 174.700 -0.018 0.000 0.995 950 T CA -0.299 61.791 62.100 -0.016 0.000 1.009 950 T CB 2.392 71.252 68.868 -0.013 0.000 0.955 950 T HN 0.219 nan 8.240 nan 0.000 0.452 951 E N 1.683 121.870 120.200 -0.021 0.000 2.187 951 E HA 0.497 4.850 4.350 0.005 0.000 0.268 951 E C -1.220 175.371 176.600 -0.016 0.000 0.896 951 E CA -0.611 55.775 56.400 -0.023 0.000 0.766 951 E CB 1.030 30.712 29.700 -0.030 0.000 1.142 951 E HN 0.462 nan 8.360 nan 0.000 0.408 952 T N 5.333 119.876 114.554 -0.018 0.000 2.906 952 T HA 0.387 4.739 4.350 0.005 0.000 0.302 952 T C -0.413 174.274 174.700 -0.023 0.000 1.002 952 T CA -0.476 61.619 62.100 -0.009 0.000 0.988 952 T CB 0.160 69.024 68.868 -0.007 0.000 0.972 952 T HN 0.375 nan 8.240 nan 0.000 0.447 953 I N 3.225 123.791 120.570 -0.007 0.000 2.304 953 I HA 0.302 4.475 4.170 0.005 0.000 0.291 953 I C 0.334 176.440 176.117 -0.018 0.000 1.018 953 I CA -0.470 60.807 61.300 -0.038 0.000 1.260 953 I CB 1.055 39.057 38.000 0.003 0.000 1.390 953 I HN 0.438 nan 8.210 nan 0.000 0.475 954 T N 6.499 120.991 114.554 -0.102 0.000 2.801 954 T HA 0.407 4.760 4.350 0.005 0.000 0.306 954 T C -0.226 174.372 174.700 -0.170 0.000 1.020 954 T CA -0.328 61.734 62.100 -0.063 0.000 0.948 954 T CB -0.007 68.825 68.868 -0.060 0.000 0.962 954 T HN 0.115 nan 8.240 nan 0.000 0.465 955 F N 3.698 123.587 119.950 -0.101 0.000 2.471 955 F HA 0.351 4.880 4.527 0.005 0.000 0.365 955 F C 1.607 177.330 175.800 -0.129 0.000 1.095 955 F CA -0.196 57.710 58.000 -0.157 0.000 1.174 955 F CB 0.590 39.475 39.000 -0.191 0.000 1.105 955 F HN 0.537 nan 8.300 nan 0.000 0.535 956 T N 0.462 115.003 114.554 -0.023 0.000 2.762 956 T HA 0.766 5.118 4.350 0.005 0.000 0.272 956 T C -0.657 174.035 174.700 -0.014 0.000 0.982 956 T CA -0.985 61.104 62.100 -0.018 0.000 1.013 956 T CB 2.057 70.907 68.868 -0.030 0.000 1.309 956 T HN 0.546 nan 8.240 nan 0.000 0.572 957 N N -1.493 117.204 118.700 -0.006 0.000 3.204 957 N HA 0.514 5.257 4.740 0.005 0.000 0.285 957 N C -0.644 174.891 175.510 0.041 0.000 1.536 957 N CA -0.816 52.249 53.050 0.024 0.000 0.832 957 N CB 0.974 39.487 38.487 0.043 0.000 1.645 957 N HN 0.528 nan 8.380 nan 0.000 0.586 958 D N -1.702 118.735 120.400 0.063 0.000 2.463 958 D HA 0.297 4.940 4.640 0.005 0.000 0.237 958 D C -0.090 176.232 176.300 0.036 0.000 1.013 958 D CA 0.733 54.782 54.000 0.083 0.000 0.910 958 D CB 0.439 41.338 40.800 0.166 0.000 1.080 958 D HN 0.778 nan 8.370 nan 0.000 0.498 959 C N -2.519 116.774 119.300 -0.011 0.000 3.272 959 C HA 0.654 5.117 4.460 0.005 0.000 0.363 959 C C -1.433 173.563 174.990 0.011 0.000 1.514 959 C CA -1.226 57.754 59.018 -0.064 0.000 1.185 959 C CB 0.557 28.158 27.740 -0.231 0.000 1.716 959 C HN 0.215 nan 8.230 nan 0.000 0.440 960 Y N 0.029 120.213 120.300 -0.193 0.000 2.882 960 Y HA 0.352 4.905 4.550 0.005 0.000 0.251 960 Y C 0.590 176.424 175.900 -0.111 0.000 0.961 960 Y CA 0.143 58.164 58.100 -0.132 0.000 1.175 960 Y CB -0.120 38.292 38.460 -0.079 0.000 1.155 960 Y HN 0.792 nan 8.280 nan 0.000 0.568 961 E N 0.992 121.047 120.200 -0.242 0.000 2.479 961 E HA 0.101 4.454 4.350 0.005 0.000 0.193 961 E C -1.207 175.316 176.600 -0.129 0.000 1.049 961 E CA 0.502 56.804 56.400 -0.164 0.000 0.870 961 E CB 0.149 29.741 29.700 -0.181 0.000 0.944 961 E HN 0.484 nan 8.360 nan 0.000 0.492 962 Y N -0.511 119.537 120.300 -0.420 0.000 2.329 962 Y HA 0.403 4.956 4.550 0.005 0.000 0.328 962 Y C -1.091 174.479 175.900 -0.551 0.000 0.992 962 Y CA -1.159 56.728 58.100 -0.355 0.000 1.151 962 Y CB 1.139 39.444 38.460 -0.260 0.000 1.150 962 Y HN -0.338 nan 8.280 nan 0.000 0.450 963 V N 7.723 127.171 119.914 -0.776 0.000 2.385 963 V HA 0.114 4.237 4.120 0.005 0.000 0.269 963 V C -0.162 175.636 176.094 -0.493 0.000 1.043 963 V CA -0.520 61.512 62.300 -0.446 0.000 0.906 963 V CB 0.244 31.957 31.823 -0.183 0.000 0.995 963 V HN 0.713 nan 8.190 nan 0.000 0.467 964 F N 4.383 124.209 119.950 -0.206 0.000 2.519 964 F HA 0.459 4.989 4.527 0.005 0.000 0.375 964 F C 1.290 177.082 175.800 -0.013 0.000 1.084 964 F CA -0.427 57.572 58.000 -0.003 0.000 1.147 964 F CB 0.780 39.882 39.000 0.170 0.000 1.088 964 F HN 0.547 nan 8.300 nan 0.000 0.555 965 G N 4.270 112.811 108.800 -0.432 0.000 3.424 965 G HA2 0.442 4.405 3.960 0.005 0.000 0.263 965 G HA3 0.442 4.405 3.960 0.005 0.000 0.263 965 G C 0.275 174.971 174.900 -0.341 0.000 1.310 965 G CA 0.261 45.179 45.100 -0.304 0.000 1.089 965 G HN 1.023 nan 8.290 nan 0.000 0.534 966 G N -0.280 108.233 108.800 -0.479 0.000 2.708 966 G HA2 0.716 4.679 3.960 0.005 0.000 0.289 966 G HA3 0.716 4.679 3.960 0.005 0.000 0.289 966 G C -3.234 171.757 174.900 0.152 0.000 1.416 966 G CA -1.254 43.714 45.100 -0.220 0.000 0.829 966 G HN -0.030 nan 8.290 nan 0.000 0.480 967 P HA 0.429 nan 4.420 nan 0.000 0.279 967 P C -1.187 176.270 177.300 0.262 0.000 1.239 967 P CA -0.311 62.875 63.100 0.142 0.000 0.789 967 P CB 1.084 32.739 31.700 -0.075 0.000 0.933 968 F N 1.505 121.454 119.950 -0.002 0.000 2.546 968 F HA 0.669 5.199 4.527 0.005 0.000 0.320 968 F C -1.224 174.534 175.800 -0.071 0.000 1.076 968 F CA -1.488 56.548 58.000 0.060 0.000 0.928 968 F CB 0.943 39.994 39.000 0.086 0.000 1.189 968 F HN 0.199 nan 8.300 nan 0.000 0.465 969 Y N 1.442 121.875 120.300 0.221 0.000 2.568 969 Y HA 0.752 5.305 4.550 0.005 0.000 0.327 969 Y C -0.560 175.550 175.900 0.351 0.000 1.163 969 Y CA -1.420 56.794 58.100 0.191 0.000 1.219 969 Y CB 1.923 40.666 38.460 0.472 0.000 1.308 969 Y HN 0.527 nan 8.280 nan 0.000 0.503 970 V N 1.929 122.104 119.914 0.435 0.000 2.531 970 V HA 0.465 4.588 4.120 0.005 0.000 0.301 970 V C -0.767 175.428 176.094 0.168 0.000 1.034 970 V CA -1.044 61.492 62.300 0.393 0.000 0.865 970 V CB 1.748 33.783 31.823 0.354 0.000 0.995 970 V HN 0.684 nan 8.190 nan 0.000 0.424 971 R N 3.704 124.184 120.500 -0.033 0.000 2.343 971 R HA 0.708 5.051 4.340 0.005 0.000 0.320 971 R C -1.734 174.383 176.300 -0.305 0.000 0.956 971 R CA -0.384 55.451 56.100 -0.442 0.000 0.836 971 R CB 1.790 31.543 30.300 -0.912 0.000 1.151 971 R HN 0.526 nan 8.270 nan 0.000 0.450 972 V N 6.168 125.921 119.914 -0.268 0.000 2.328 972 V HA 0.363 4.486 4.120 0.005 0.000 0.278 972 V C 0.093 176.063 176.094 -0.206 0.000 1.021 972 V CA -0.851 61.339 62.300 -0.183 0.000 0.838 972 V CB 1.200 32.960 31.823 -0.105 0.000 0.999 972 V HN 0.656 nan 8.190 nan 0.000 0.447 973 R N 3.408 123.772 120.500 -0.226 0.000 2.347 973 R HA 0.389 4.732 4.340 0.005 0.000 0.304 973 R C 1.197 177.418 176.300 -0.133 0.000 1.072 973 R CA 0.546 56.521 56.100 -0.208 0.000 0.980 973 R CB 0.478 30.605 30.300 -0.289 0.000 0.986 973 R HN 1.119 nan 8.270 nan 0.000 0.448 974 G N 0.903 109.645 108.800 -0.096 0.000 2.182 974 G HA2 -0.198 3.764 3.960 0.005 0.000 0.248 974 G HA3 -0.198 3.764 3.960 0.005 0.000 0.248 974 G C -0.202 174.668 174.900 -0.050 0.000 1.042 974 G CA 0.221 45.288 45.100 -0.056 0.000 0.775 974 G HN 0.858 nan 8.290 nan 0.000 0.501 975 A N -1.088 121.692 122.820 -0.066 0.000 2.475 975 A HA 0.903 5.226 4.320 0.005 0.000 0.301 975 A C 0.004 177.550 177.584 -0.064 0.000 1.059 975 A CA -0.315 51.686 52.037 -0.061 0.000 0.710 975 A CB 1.733 20.690 19.000 -0.072 0.000 1.288 975 A HN 0.194 nan 8.150 nan 0.000 0.408 976 Q N 0.015 119.783 119.800 -0.054 0.000 3.083 976 Q HA 0.403 4.746 4.340 0.005 0.000 0.205 976 Q C 0.203 176.176 176.000 -0.045 0.000 1.165 976 Q CA -0.428 55.346 55.803 -0.048 0.000 0.365 976 Q CB 0.112 28.830 28.738 -0.034 0.000 5.649 976 Q HN 0.690 nan 8.270 nan 0.000 0.298 977 S N 3.061 118.752 115.700 -0.015 0.000 2.465 977 S HA 0.232 4.705 4.470 0.005 0.000 0.280 977 S C -2.032 172.544 174.600 -0.040 0.000 1.232 977 S CA -0.932 57.275 58.200 0.011 0.000 1.066 977 S CB 0.088 63.322 63.200 0.056 0.000 0.929 977 S HN 0.160 nan 8.310 nan 0.000 0.494 978 P HA 0.363 nan 4.420 nan 0.000 0.278 978 P C -0.118 177.139 177.300 -0.072 0.000 1.266 978 P CA -0.594 62.413 63.100 -0.154 0.000 0.807 978 P CB 1.061 32.562 31.700 -0.333 0.000 1.094 979 S N -0.460 115.213 115.700 -0.045 0.000 2.540 979 S HA 0.146 4.618 4.470 0.005 0.000 0.218 979 S C 0.299 174.906 174.600 0.012 0.000 0.977 979 S CA -0.153 58.049 58.200 0.003 0.000 0.918 979 S CB -0.677 62.528 63.200 0.007 0.000 0.806 979 S HN 0.628 nan 8.310 nan 0.000 0.496 980 N N 0.255 118.938 118.700 -0.028 0.000 4.851 980 N HA 0.109 4.851 4.740 0.005 0.000 0.190 980 N C -2.298 173.189 175.510 -0.038 0.000 1.101 980 N CA -0.258 52.796 53.050 0.006 0.000 0.958 980 N CB 0.462 38.972 38.487 0.037 0.000 1.570 980 N HN 0.012 nan 8.380 nan 0.000 0.601 981 I N 2.326 122.898 120.570 0.004 0.000 2.512 981 I HA 0.230 4.403 4.170 0.005 0.000 0.287 981 I C -0.670 175.510 176.117 0.105 0.000 1.069 981 I CA -0.571 60.732 61.300 0.006 0.000 1.056 981 I CB 1.814 39.768 38.000 -0.077 0.000 1.229 981 I HN 0.556 nan 8.210 nan 0.000 0.429 982 H N 5.337 124.412 119.070 0.009 0.000 2.544 982 H HA 0.785 5.344 4.556 0.005 0.000 0.342 982 H C -1.279 174.067 175.328 0.029 0.000 1.185 982 H CA -0.371 55.691 56.048 0.022 0.000 1.264 982 H CB 1.810 31.581 29.762 0.016 0.000 1.607 982 H HN 0.250 nan 8.280 nan 0.000 0.550 983 V N 2.305 121.868 119.914 -0.584 0.000 2.808 983 V HA 0.312 4.435 4.120 0.005 0.000 0.308 983 V C -0.026 175.818 176.094 -0.416 0.000 1.099 983 V CA -0.802 61.305 62.300 -0.322 0.000 0.920 983 V CB 1.555 33.274 31.823 -0.173 0.000 1.014 983 V HN 0.856 nan 8.190 nan 0.000 0.425 984 S N 1.633 117.245 115.700 -0.147 0.000 2.677 984 S HA 0.891 5.364 4.470 0.005 0.000 0.290 984 S C -0.164 174.412 174.600 -0.040 0.000 1.124 984 S CA 0.342 58.508 58.200 -0.057 0.000 1.017 984 S CB 1.379 64.599 63.200 0.034 0.000 1.215 984 S HN 1.790 nan 8.310 nan 0.000 0.524 985 S N -1.490 114.203 115.700 -0.011 0.000 2.714 985 S HA 0.041 4.514 4.470 0.005 0.000 0.489 985 S C 0.411 175.004 174.600 -0.012 0.000 0.726 985 S CA 0.233 58.423 58.200 -0.018 0.000 1.532 985 S CB -1.341 61.840 63.200 -0.032 0.000 1.117 985 S HN 1.235 nan 8.310 nan 0.000 0.326 986 G N 2.596 111.389 108.800 -0.011 0.000 2.535 986 G HA2 0.282 4.245 3.960 0.005 0.000 0.218 986 G HA3 0.282 4.245 3.960 0.005 0.000 0.218 986 G C 0.875 175.769 174.900 -0.011 0.000 1.122 986 G CA 0.699 45.795 45.100 -0.007 0.000 0.769 986 G HN 1.690 nan 8.290 nan 0.000 0.549 987 A N 0.233 123.041 122.820 -0.020 0.000 3.282 987 A HA 0.635 4.958 4.320 0.005 0.000 0.287 987 A C 0.909 178.482 177.584 -0.018 0.000 1.366 987 A CA 0.381 52.405 52.037 -0.021 0.000 1.069 987 A CB -0.813 18.169 19.000 -0.031 0.000 1.109 987 A HN 1.609 nan 8.150 nan 0.000 0.638 988 G N -0.476 108.316 108.800 -0.014 0.000 3.338 988 G HA2 0.170 4.133 3.960 0.005 0.000 0.686 988 G HA3 0.170 4.133 3.960 0.005 0.000 0.686 988 G C -0.505 174.379 174.900 -0.027 0.000 1.053 988 G CA -0.077 45.014 45.100 -0.015 0.000 0.852 988 G HN 1.004 nan 8.290 nan 0.000 0.545 989 S N 1.295 116.981 115.700 -0.023 0.000 2.548 989 S HA 0.925 5.398 4.470 0.005 0.000 0.286 989 S C -0.398 174.171 174.600 -0.053 0.000 1.098 989 S CA 0.259 58.427 58.200 -0.052 0.000 0.930 989 S CB 1.964 65.167 63.200 0.005 0.000 1.070 989 S HN 1.493 nan 8.310 nan 0.000 0.480 990 Q N 2.122 121.824 119.800 -0.164 0.000 2.994 990 Q HA 0.130 4.473 4.340 0.005 0.000 0.287 990 Q C -2.166 173.760 176.000 -0.124 0.000 0.916 990 Q CA -0.610 55.151 55.803 -0.071 0.000 0.806 990 Q CB 0.778 29.500 28.738 -0.027 0.000 1.711 990 Q HN 0.635 nan 8.270 nan 0.000 0.477 991 D N 1.708 122.145 120.400 0.061 0.000 2.312 991 D HA 0.409 5.052 4.640 0.005 0.000 0.248 991 D C -0.243 176.110 176.300 0.088 0.000 1.086 991 D CA -0.020 54.050 54.000 0.116 0.000 0.948 991 D CB 0.814 41.709 40.800 0.158 0.000 1.162 991 D HN 0.386 nan 8.370 nan 0.000 0.446 992 M N 1.620 121.302 119.600 0.136 0.000 2.209 992 M HA 0.193 4.676 4.480 0.005 0.000 0.355 992 M C 0.254 176.716 176.300 0.271 0.000 1.171 992 M CA -0.650 54.771 55.300 0.202 0.000 1.069 992 M CB 1.525 34.298 32.600 0.288 0.000 1.622 992 M HN 0.117 nan 8.290 nan 0.000 0.459 993 K N 1.954 122.446 120.400 0.153 0.000 2.118 993 K HA 0.523 4.846 4.320 0.005 0.000 0.264 993 K C -0.384 176.091 176.600 -0.208 0.000 1.000 993 K CA -0.856 55.466 56.287 0.058 0.000 0.929 993 K CB 1.680 34.179 32.500 -0.001 0.000 1.021 993 K HN 0.502 nan 8.250 nan 0.000 0.463 994 V N 1.623 121.286 119.914 -0.419 0.000 2.872 994 V HA 0.017 4.139 4.120 0.005 0.000 0.307 994 V C -0.210 175.558 176.094 -0.543 0.000 1.072 994 V CA 0.189 61.851 62.300 -1.064 0.000 1.148 994 V CB 1.314 32.837 31.823 -0.500 0.000 0.954 994 V HN 0.941 nan 8.190 nan 0.000 0.490 995 S N 3.272 118.674 115.700 -0.498 0.000 2.554 995 S HA 0.290 4.763 4.470 0.005 0.000 0.278 995 S C 1.243 175.769 174.600 -0.124 0.000 1.242 995 S CA -0.019 58.056 58.200 -0.209 0.000 1.051 995 S CB 1.401 64.534 63.200 -0.112 0.000 0.986 995 S HN 1.319 nan 8.310 nan 0.000 0.502 996 S N 3.727 119.368 115.700 -0.098 0.000 2.515 996 S HA 0.208 4.681 4.470 0.005 0.000 0.231 996 S C 0.759 175.308 174.600 -0.085 0.000 0.987 996 S CA 0.184 58.340 58.200 -0.073 0.000 0.936 996 S CB -0.383 62.779 63.200 -0.064 0.000 0.766 996 S HN 0.911 nan 8.310 nan 0.000 0.528 997 A N 1.297 124.042 122.820 -0.125 0.000 2.371 997 A HA 0.552 4.875 4.320 0.005 0.000 0.257 997 A C 0.997 178.422 177.584 -0.265 0.000 1.089 997 A CA 0.058 51.962 52.037 -0.221 0.000 0.794 997 A CB 0.412 19.233 19.000 -0.298 0.000 1.029 997 A HN 0.539 nan 8.150 nan 0.000 0.488 998 T N -1.565 112.791 114.554 -0.330 0.000 3.087 998 T HA 0.334 4.687 4.350 0.005 0.000 0.283 998 T C 0.391 174.921 174.700 -0.284 0.000 0.956 998 T CA 0.434 62.450 62.100 -0.141 0.000 0.894 998 T CB -0.589 68.291 68.868 0.019 0.000 1.160 998 T HN 1.190 nan 8.240 nan 0.000 0.532 999 S N 0.216 115.474 115.700 -0.736 0.000 2.632 999 S HA 0.589 5.062 4.470 0.005 0.000 0.289 999 S C 0.685 174.381 174.600 -1.506 0.000 1.115 999 S CA -1.046 56.629 58.200 -0.875 0.000 0.889 999 S CB 2.756 65.700 63.200 -0.427 0.000 1.116 999 S HN 0.079 nan 8.310 nan 0.000 0.486 1000 R N 0.274 119.874 120.500 -1.501 0.000 2.115 1000 R HA -0.034 4.309 4.340 0.005 0.000 0.230 1000 R C 2.163 177.710 176.300 -1.254 0.000 1.111 1000 R CA 1.481 56.624 56.100 -1.596 0.000 0.976 1000 R CB -0.964 28.588 30.300 -1.246 0.000 0.870 1000 R HN 0.838 nan 8.270 nan 0.000 0.445 1001 A N 0.791 123.150 122.820 -0.769 0.000 1.902 1001 A HA -0.106 4.217 4.320 0.005 0.000 0.217 1001 A C 2.317 179.657 177.584 -0.408 0.000 1.181 1001 A CA 1.660 53.419 52.037 -0.463 0.000 0.623 1001 A CB -0.652 18.183 19.000 -0.275 0.000 0.818 1001 A HN 0.495 nan 8.150 nan 0.000 0.443 1002 A N -0.871 121.662 122.820 -0.479 0.000 1.972 1002 A HA 0.015 4.338 4.320 0.005 0.000 0.219 1002 A C 2.086 179.441 177.584 -0.382 0.000 1.169 1002 A CA 1.619 53.430 52.037 -0.377 0.000 0.635 1002 A CB -0.470 18.298 19.000 -0.386 0.000 0.810 1002 A HN 0.600 nan 8.150 nan 0.000 0.446 1003 L N -1.762 119.097 121.223 -0.606 0.000 2.156 1003 L HA 0.037 4.380 4.340 0.005 0.000 0.208 1003 L C 2.010 178.827 176.870 -0.089 0.000 1.095 1003 L CA 1.578 56.155 54.840 -0.438 0.000 0.770 1003 L CB -0.527 41.124 42.059 -0.680 0.000 0.914 1003 L HN 0.319 nan 8.230 nan 0.000 0.439 1004 F N 0.021 119.829 119.950 -0.236 0.000 2.098 1004 F HA -0.091 4.439 4.527 0.005 0.000 0.294 1004 F C 2.442 178.228 175.800 -0.022 0.000 1.107 1004 F CA 1.108 59.057 58.000 -0.085 0.000 1.234 1004 F CB -1.134 37.761 39.000 -0.174 0.000 1.002 1004 F HN 0.221 nan 8.300 nan 0.000 0.472 1005 N N -0.395 118.374 118.700 0.115 0.000 2.368 1005 N HA -0.078 4.665 4.740 0.005 0.000 0.176 1005 N C 0.929 176.443 175.510 0.007 0.000 1.021 1005 N CA 1.161 54.237 53.050 0.044 0.000 0.888 1005 N CB -0.030 38.456 38.487 -0.001 0.000 0.995 1005 N HN 0.228 nan 8.380 nan 0.000 0.437 1006 D N -0.162 120.220 120.400 -0.029 0.000 2.514 1006 D HA 0.108 4.751 4.640 0.005 0.000 0.249 1006 D C 0.936 177.214 176.300 -0.037 0.000 1.036 1006 D CA 0.197 54.169 54.000 -0.046 0.000 0.911 1006 D CB -0.174 40.575 40.800 -0.085 0.000 1.145 1006 D HN 0.033 nan 8.370 nan 0.000 0.495 1007 G N 1.055 109.831 108.800 -0.039 0.000 2.414 1007 G HA2 0.118 4.081 3.960 0.005 0.000 0.236 1007 G HA3 0.118 4.081 3.960 0.005 0.000 0.236 1007 G C 0.047 174.958 174.900 0.020 0.000 1.293 1007 G CA -0.093 44.997 45.100 -0.017 0.000 0.869 1007 G HN 0.010 nan 8.290 nan 0.000 0.556 1008 E N 0.801 121.002 120.200 0.002 0.000 2.318 1008 E HA 0.095 4.448 4.350 0.005 0.000 0.265 1008 E C -0.026 176.574 176.600 0.001 0.000 1.069 1008 E CA -0.745 55.655 56.400 0.000 0.000 0.893 1008 E CB 0.678 30.371 29.700 -0.011 0.000 1.076 1008 E HN 0.429 nan 8.360 nan 0.000 0.414 1009 N N 0.636 119.327 118.700 -0.015 0.000 2.356 1009 N HA 0.068 4.811 4.740 0.005 0.000 0.252 1009 N C 0.744 176.242 175.510 -0.021 0.000 1.241 1009 N CA 1.275 54.303 53.050 -0.037 0.000 0.861 1009 N CB 0.675 39.140 38.487 -0.037 0.000 1.075 1009 N HN 0.801 nan 8.380 nan 0.000 0.461 1010 G N 0.819 109.606 108.800 -0.023 0.000 2.175 1010 G HA2 -0.247 3.716 3.960 0.005 0.000 0.244 1010 G HA3 -0.247 3.716 3.960 0.005 0.000 0.244 1010 G C -0.211 174.729 174.900 0.067 0.000 0.982 1010 G CA -0.004 45.105 45.100 0.014 0.000 0.641 1010 G HN 0.583 nan 8.290 nan 0.000 0.527 1011 D N 0.006 120.441 120.400 0.058 0.000 2.383 1011 D HA 0.661 5.304 4.640 0.005 0.000 0.248 1011 D C 0.440 176.861 176.300 0.201 0.000 1.170 1011 D CA 0.438 54.468 54.000 0.050 0.000 0.977 1011 D CB 0.550 41.358 40.800 0.015 0.000 1.120 1011 D HN 0.540 nan 8.370 nan 0.000 0.481 1012 F N -1.678 118.360 119.950 0.146 0.000 2.601 1012 F HA 0.609 5.139 4.527 0.005 0.000 0.309 1012 F C -1.614 174.355 175.800 0.282 0.000 1.089 1012 F CA -1.458 56.668 58.000 0.211 0.000 0.940 1012 F CB 1.161 40.252 39.000 0.153 0.000 1.273 1012 F HN 0.251 nan 8.300 nan 0.000 0.450 1013 W N 4.774 126.265 121.300 0.318 0.000 2.532 1013 W HA 0.700 5.363 4.660 0.005 0.000 0.321 1013 W C -1.915 174.780 176.519 0.294 0.000 1.037 1013 W CA -1.923 55.521 57.345 0.165 0.000 1.220 1013 W CB 1.789 31.259 29.460 0.017 0.000 1.361 1013 W HN 0.532 nan 8.180 nan 0.000 0.468 1014 V N 6.911 126.780 119.914 -0.074 0.000 2.372 1014 V HA 0.010 4.132 4.120 0.005 0.000 0.261 1014 V C -0.075 175.511 176.094 -0.847 0.000 1.055 1014 V CA -0.049 62.102 62.300 -0.249 0.000 0.930 1014 V CB 0.587 32.411 31.823 0.002 0.000 1.031 1014 V HN 0.428 nan 8.190 nan 0.000 0.479 1015 D N 4.289 124.132 120.400 -0.928 0.000 2.522 1015 D HA 0.174 4.817 4.640 0.005 0.000 0.218 1015 D C 1.216 177.256 176.300 -0.434 0.000 1.149 1015 D CA -0.006 53.307 54.000 -1.144 0.000 0.981 1015 D CB 0.894 41.146 40.800 -0.914 0.000 1.041 1015 D HN 0.575 nan 8.370 nan 0.000 0.518 1016 Q N 1.433 121.057 119.800 -0.293 0.000 2.167 1016 Q HA -0.161 4.182 4.340 0.005 0.000 0.202 1016 Q C 1.508 177.462 176.000 -0.077 0.000 0.970 1016 Q CA 0.825 56.552 55.803 -0.127 0.000 0.855 1016 Q CB 0.200 28.898 28.738 -0.066 0.000 0.911 1016 Q HN 0.614 nan 8.270 nan 0.000 0.438 1017 E N 0.537 120.698 120.200 -0.066 0.000 2.209 1017 E HA -0.176 4.177 4.350 0.005 0.000 0.196 1017 E C 1.340 177.942 176.600 0.003 0.000 0.993 1017 E CA 1.580 57.975 56.400 -0.008 0.000 0.819 1017 E CB 0.195 29.918 29.700 0.038 0.000 0.745 1017 E HN 0.312 nan 8.360 nan 0.000 0.477 1018 T N -2.512 112.038 114.554 -0.007 0.000 3.170 1018 T HA 0.092 4.444 4.350 0.005 0.000 0.288 1018 T C 0.095 174.804 174.700 0.016 0.000 0.992 1018 T CA 0.369 62.495 62.100 0.042 0.000 0.909 1018 T CB 0.187 69.133 68.868 0.131 0.000 1.133 1018 T HN 0.127 nan 8.240 nan 0.000 0.530 1019 D N 0.766 121.150 120.400 -0.027 0.000 2.737 1019 D HA -0.144 4.499 4.640 0.005 0.000 0.233 1019 D C -0.391 175.870 176.300 -0.065 0.000 1.155 1019 D CA 0.755 54.732 54.000 -0.038 0.000 0.667 1019 D CB -1.341 39.455 40.800 -0.006 0.000 1.060 1019 D HN 0.537 nan 8.370 nan 0.000 0.427 1020 S N -0.900 114.750 115.700 -0.084 0.000 2.704 1020 S HA 0.793 5.266 4.470 0.005 0.000 0.305 1020 S C -0.574 173.949 174.600 -0.129 0.000 1.107 1020 S CA -0.828 57.284 58.200 -0.147 0.000 0.993 1020 S CB 2.038 65.117 63.200 -0.201 0.000 1.110 1020 S HN 0.292 nan 8.310 nan 0.000 0.534 1021 L N 1.897 123.030 121.223 -0.149 0.000 2.471 1021 L HA 0.563 4.906 4.340 0.005 0.000 0.263 1021 L C -2.107 174.802 176.870 0.065 0.000 0.985 1021 L CA -0.123 54.713 54.840 -0.008 0.000 0.868 1021 L CB 0.429 42.463 42.059 -0.041 0.000 1.203 1021 L HN 0.657 nan 8.230 nan 0.000 0.429 1022 W N 5.572 126.949 121.300 0.129 0.000 2.315 1022 W HA 0.594 5.257 4.660 0.005 0.000 0.316 1022 W C -0.871 175.841 176.519 0.321 0.000 1.211 1022 W CA -0.348 57.149 57.345 0.253 0.000 1.201 1022 W CB 0.991 30.650 29.460 0.330 0.000 1.184 1022 W HN 0.232 nan 8.180 nan 0.000 0.544 1023 L N 3.402 124.922 121.223 0.495 0.000 2.343 1023 L HA 0.348 4.691 4.340 0.005 0.000 0.278 1023 L C -0.014 177.023 176.870 0.278 0.000 0.996 1023 L CA -1.021 54.031 54.840 0.353 0.000 0.831 1023 L CB 1.382 43.553 42.059 0.187 0.000 1.232 1023 L HN 0.296 nan 8.230 nan 0.000 0.413 1024 K N 4.002 124.526 120.400 0.206 0.000 2.156 1024 K HA 0.828 5.151 4.320 0.005 0.000 0.271 1024 K C -1.427 175.018 176.600 -0.258 0.000 0.995 1024 K CA -0.384 55.836 56.287 -0.112 0.000 0.890 1024 K CB 0.799 33.332 32.500 0.056 0.000 1.073 1024 K HN 0.556 nan 8.250 nan 0.000 0.454 1025 L N 5.641 126.558 121.223 -0.510 0.000 2.482 1025 L HA 0.451 4.793 4.340 0.005 0.000 0.263 1025 L C -2.330 174.369 176.870 -0.285 0.000 0.957 1025 L CA -2.464 52.106 54.840 -0.450 0.000 0.836 1025 L CB 2.295 43.873 42.059 -0.801 0.000 1.324 1025 L HN 0.657 nan 8.230 nan 0.000 0.406 1026 P HA -0.015 nan 4.420 nan 0.000 0.266 1026 P C 0.095 177.488 177.300 0.156 0.000 1.193 1026 P CA -0.028 63.082 63.100 0.017 0.000 0.770 1026 P CB 0.445 32.149 31.700 0.007 0.000 0.836 1027 N N 2.288 121.091 118.700 0.172 0.000 2.223 1027 N HA -0.134 4.609 4.740 0.005 0.000 0.185 1027 N C 1.265 176.868 175.510 0.155 0.000 1.016 1027 N CA 1.842 55.044 53.050 0.252 0.000 0.863 1027 N CB -1.345 37.264 38.487 0.204 0.000 0.983 1027 N HN 0.320 nan 8.380 nan 0.000 0.429 1028 V N -0.400 119.564 119.914 0.083 0.000 3.305 1028 V HA -0.001 4.122 4.120 0.005 0.000 0.269 1028 V C 2.123 178.203 176.094 -0.023 0.000 1.157 1028 V CA 1.154 63.468 62.300 0.022 0.000 1.157 1028 V CB -0.803 31.025 31.823 0.010 0.000 0.772 1028 V HN 0.285 nan 8.190 nan 0.000 0.498 1029 V N -3.679 116.243 119.914 0.014 0.000 3.471 1029 V HA 0.169 4.292 4.120 0.005 0.000 0.258 1029 V C 2.189 178.195 176.094 -0.147 0.000 1.192 1029 V CA 0.825 63.110 62.300 -0.025 0.000 1.116 1029 V CB -0.043 31.798 31.823 0.030 0.000 0.792 1029 V HN 0.393 nan 8.190 nan 0.000 0.459 1030 L N 1.821 122.893 121.223 -0.251 0.000 2.054 1030 L HA -0.116 4.227 4.340 0.005 0.000 0.220 1030 L C 0.015 176.582 176.870 -0.506 0.000 1.081 1030 L CA 3.015 57.459 54.840 -0.661 0.000 0.780 1030 L CB -1.829 39.943 42.059 -0.479 0.000 0.893 1030 L HN 0.328 nan 8.230 nan 0.000 0.438 1031 P HA -0.053 nan 4.420 nan 0.000 0.217 1031 P C 0.381 177.562 177.300 -0.199 0.000 1.154 1031 P CA 1.616 64.427 63.100 -0.483 0.000 0.841 1031 P CB -0.038 31.255 31.700 -0.678 0.000 0.788 1032 D N -2.447 117.868 120.400 -0.142 0.000 2.527 1032 D HA 0.203 4.846 4.640 0.005 0.000 0.224 1032 D C 0.204 176.505 176.300 0.002 0.000 1.217 1032 D CA -0.517 53.451 54.000 -0.054 0.000 0.819 1032 D CB -0.851 39.913 40.800 -0.060 0.000 1.061 1032 D HN -0.049 nan 8.370 nan 0.000 0.515 1033 A N 0.665 123.494 122.820 0.015 0.000 2.561 1033 A HA 0.372 4.695 4.320 0.005 0.000 0.251 1033 A C 0.128 177.791 177.584 0.132 0.000 1.062 1033 A CA -0.088 51.986 52.037 0.062 0.000 0.761 1033 A CB 0.136 19.170 19.000 0.056 0.000 0.986 1033 A HN 0.186 nan 8.150 nan 0.000 0.510 1034 V N 5.979 125.941 119.914 0.079 0.000 2.294 1034 V HA 0.223 4.346 4.120 0.005 0.000 0.272 1034 V C 0.082 176.225 176.094 0.081 0.000 1.027 1034 V CA -0.112 62.239 62.300 0.084 0.000 0.823 1034 V CB 0.327 32.186 31.823 0.060 0.000 1.030 1034 V HN 0.676 nan 8.190 nan 0.000 0.457 1035 I N 3.314 123.948 120.570 0.106 0.000 2.342 1035 I HA 0.457 4.630 4.170 0.005 0.000 0.291 1035 I C 0.476 176.633 176.117 0.068 0.000 1.010 1035 I CA -0.015 61.334 61.300 0.082 0.000 1.308 1035 I CB 1.416 39.481 38.000 0.109 0.000 1.400 1035 I HN 0.521 nan 8.210 nan 0.000 0.488 1036 T N 7.012 121.611 114.554 0.075 0.000 3.064 1036 T HA 0.527 4.880 4.350 0.005 0.000 0.367 1036 T C -0.297 174.425 174.700 0.036 0.000 1.202 1036 T CA -0.457 61.678 62.100 0.058 0.000 1.133 1036 T CB -0.197 68.714 68.868 0.071 0.000 1.074 1036 T HN 0.400 nan 8.240 nan 0.000 0.519 1037 I N 3.306 123.876 120.570 0.001 0.000 2.882 1037 I HA 0.450 4.623 4.170 0.005 0.000 0.286 1037 I C 1.040 177.139 176.117 -0.031 0.000 1.139 1037 I CA 0.041 61.319 61.300 -0.036 0.000 1.379 1037 I CB 1.246 39.210 38.000 -0.060 0.000 1.410 1037 I HN 0.539 nan 8.210 nan 0.000 0.594 1038 T N 0.000 114.527 114.554 -0.045 0.000 3.816 1038 T HA 0.000 4.353 4.350 0.005 0.000 0.228 1038 T CA 0.000 62.082 62.100 -0.030 0.000 1.349 1038 T CB 0.000 68.858 68.868 -0.016 0.000 0.612 1038 T HN 0.000 nan 8.240 nan 0.000 0.658