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 2x2j_1_D 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 0.000 174.663 174.700 -0.062 0.000 1.109 14 T CA 0.000 62.072 62.100 -0.047 0.000 1.349 14 T CB 0.000 68.834 68.868 -0.056 0.000 0.612 15 D N 2.131 122.507 120.400 -0.040 0.000 2.362 15 D HA 0.217 4.857 4.640 0.000 0.000 0.238 15 D C 0.883 177.170 176.300 -0.021 0.000 1.212 15 D CA 0.194 54.174 54.000 -0.034 0.000 0.902 15 D CB 0.113 40.907 40.800 -0.011 0.000 1.180 15 D HN 0.406 nan 8.370 nan 0.000 0.445 16 N N 0.385 119.089 118.700 0.007 0.000 2.669 16 N HA -0.147 4.593 4.740 0.000 0.000 0.266 16 N C -1.705 173.798 175.510 -0.012 0.000 1.024 16 N CA 0.052 53.141 53.050 0.064 0.000 0.766 16 N CB -0.170 38.420 38.487 0.172 0.000 0.898 16 N HN 0.228 nan 8.380 nan 0.000 0.548 17 P HA -0.098 nan 4.420 nan 0.000 0.217 17 P C 0.619 177.872 177.300 -0.078 0.000 1.150 17 P CA 1.055 64.064 63.100 -0.151 0.000 0.832 17 P CB 0.204 31.683 31.700 -0.369 0.000 0.787 18 D N -0.583 119.793 120.400 -0.040 0.000 2.269 18 D HA -0.000 4.640 4.640 0.000 0.000 0.208 18 D C 1.397 177.675 176.300 -0.036 0.000 0.963 18 D CA 1.530 55.516 54.000 -0.024 0.000 0.864 18 D CB -0.282 40.513 40.800 -0.008 0.000 0.936 18 D HN 0.264 nan 8.370 nan 0.000 0.505 19 G N 1.012 109.795 108.800 -0.029 0.000 2.142 19 G HA2 -0.217 3.743 3.960 0.000 0.000 0.225 19 G HA3 -0.217 3.743 3.960 0.000 0.000 0.225 19 G C 0.258 175.107 174.900 -0.085 0.000 1.015 19 G CA -0.394 44.686 45.100 -0.034 0.000 0.716 19 G HN 0.152 nan 8.290 nan 0.000 0.508 20 I N 0.772 121.249 120.570 -0.156 0.000 2.752 20 I HA 0.192 4.362 4.170 0.000 0.000 0.287 20 I C 0.459 176.305 176.117 -0.451 0.000 1.188 20 I CA -0.545 60.534 61.300 -0.368 0.000 1.427 20 I CB 0.681 38.306 38.000 -0.625 0.000 1.365 20 I HN 0.150 nan 8.210 nan 0.000 0.585 21 D N 5.929 126.115 120.400 -0.356 0.000 2.373 21 D HA 0.183 4.823 4.640 0.000 0.000 0.227 21 D C -0.910 175.230 176.300 -0.267 0.000 1.091 21 D CA -0.408 53.458 54.000 -0.224 0.000 0.840 21 D CB 0.218 40.960 40.800 -0.096 0.000 1.060 21 D HN 0.173 nan 8.370 nan 0.000 0.502 22 Y N 3.567 123.915 120.300 0.080 0.000 2.539 22 Y HA 0.162 4.712 4.550 0.000 0.000 0.352 22 Y C 1.641 177.532 175.900 -0.015 0.000 1.004 22 Y CA -0.341 57.784 58.100 0.041 0.000 1.278 22 Y CB 0.896 39.274 38.460 -0.136 0.000 1.136 22 Y HN 0.155 nan 8.280 nan 0.000 0.528 23 K N 1.260 121.695 120.400 0.058 0.000 2.361 23 K HA 0.176 4.496 4.320 0.000 0.000 0.194 23 K C -0.079 176.550 176.600 0.049 0.000 1.032 23 K CA 0.357 56.666 56.287 0.037 0.000 1.048 23 K CB 0.528 33.010 32.500 -0.031 0.000 0.842 23 K HN 0.483 nan 8.250 nan 0.000 0.526 24 T N -0.242 114.322 114.554 0.017 0.000 2.912 24 T HA 0.419 4.769 4.350 0.000 0.000 0.299 24 T C -0.403 174.318 174.700 0.036 0.000 1.052 24 T CA -0.500 61.644 62.100 0.074 0.000 0.996 24 T CB 1.361 70.251 68.868 0.038 0.000 1.070 24 T HN -0.052 nan 8.240 nan 0.000 0.465 25 Y N -0.264 120.201 120.300 0.274 0.000 2.652 25 Y HA 0.243 4.793 4.550 0.000 0.000 0.274 25 Y C 0.962 177.029 175.900 0.279 0.000 1.148 25 Y CA -0.334 57.935 58.100 0.282 0.000 1.219 25 Y CB 0.547 39.174 38.460 0.278 0.000 1.337 25 Y HN 0.521 nan 8.280 nan 0.000 0.490 26 D N 0.130 120.788 120.400 0.431 0.000 2.344 26 D HA -0.040 4.600 4.640 0.000 0.000 0.244 26 D C -0.505 175.731 176.300 -0.106 0.000 1.134 26 D CA -0.228 53.994 54.000 0.370 0.000 0.930 26 D CB 0.547 41.695 40.800 0.579 0.000 1.175 26 D HN 0.001 nan 8.370 nan 0.000 0.437 27 Y N 1.244 120.930 120.300 -1.022 0.000 2.865 27 Y HA -0.019 4.531 4.550 0.000 0.000 0.338 27 Y C -0.531 174.936 175.900 -0.720 0.000 1.269 27 Y CA 0.091 57.381 58.100 -1.350 0.000 1.585 27 Y CB 0.009 37.101 38.460 -2.281 0.000 1.224 27 Y HN -0.062 nan 8.280 nan 0.000 0.554 28 V N 8.431 127.867 119.914 -0.797 0.000 2.318 28 V HA 0.376 4.496 4.120 0.000 0.000 0.271 28 V C 1.018 176.400 176.094 -1.187 0.000 1.030 28 V CA -0.355 61.529 62.300 -0.693 0.000 0.844 28 V CB 0.468 32.141 31.823 -0.250 0.000 1.015 28 V HN 1.058 nan 8.190 nan 0.000 0.460 29 G N 2.748 110.562 108.800 -1.643 0.000 2.716 29 G HA2 0.270 4.230 3.960 0.000 0.000 0.251 29 G HA3 0.270 4.230 3.960 0.000 0.000 0.251 29 G C 1.327 175.301 174.900 -1.544 0.000 1.224 29 G CA 0.158 43.919 45.100 -2.231 0.000 0.891 29 G HN 0.973 nan 8.290 nan 0.000 0.561 30 V N -2.532 116.607 119.914 -1.292 0.000 2.594 30 V HA -0.147 3.973 4.120 0.000 0.000 0.253 30 V C 2.132 178.006 176.094 -0.366 0.000 1.069 30 V CA 2.028 64.044 62.300 -0.473 0.000 1.082 30 V CB -1.304 30.476 31.823 -0.073 0.000 0.680 30 V HN 0.889 nan 8.190 nan 0.000 0.469 31 W N 1.688 122.776 121.300 -0.352 0.000 2.525 31 W HA 0.437 5.097 4.660 0.000 0.000 0.259 31 W C 1.912 178.340 176.519 -0.151 0.000 1.253 31 W CA 0.492 57.622 57.345 -0.358 0.000 1.262 31 W CB -1.079 27.840 29.460 -0.901 0.000 1.122 31 W HN 0.251 nan 8.180 nan 0.000 0.607 32 G N -0.891 107.780 108.800 -0.214 0.000 3.519 32 G HA2 0.169 4.129 3.960 0.000 0.000 0.269 32 G HA3 0.169 4.129 3.960 0.000 0.000 0.269 32 G C -0.904 173.923 174.900 -0.121 0.000 1.028 32 G CA -0.465 44.577 45.100 -0.096 0.000 0.809 32 G HN 0.128 nan 8.290 nan 0.000 0.521 33 F N 3.461 123.197 119.950 -0.357 0.000 2.361 33 F HA 0.541 5.068 4.527 0.000 0.000 0.364 33 F C 0.123 175.771 175.800 -0.255 0.000 1.117 33 F CA -1.264 56.479 58.000 -0.429 0.000 1.071 33 F CB 1.722 40.116 39.000 -1.010 0.000 1.188 33 F HN -0.008 nan 8.300 nan 0.000 0.464 34 S N 6.300 121.606 115.700 -0.658 0.000 2.386 34 S HA 0.283 4.753 4.470 0.000 0.000 0.152 34 S C -2.447 171.698 174.600 -0.758 0.000 1.511 34 S CA -0.894 56.996 58.200 -0.518 0.000 1.246 34 S CB 0.917 63.991 63.200 -0.209 0.000 1.338 34 S HN 0.454 nan 8.310 nan 0.000 0.409 35 P HA 0.016 nan 4.420 nan 0.000 0.221 35 P C 1.270 177.886 177.300 -1.140 0.000 1.150 35 P CA 0.436 62.468 63.100 -1.781 0.000 0.800 35 P CB 0.017 30.589 31.700 -1.880 0.000 0.787 36 L N -0.495 120.299 121.223 -0.715 0.000 2.633 36 L HA -0.027 4.313 4.340 0.000 0.000 0.235 36 L C 1.865 178.556 176.870 -0.299 0.000 1.163 36 L CA 0.827 55.428 54.840 -0.398 0.000 0.859 36 L CB -0.806 41.133 42.059 -0.201 0.000 0.973 36 L HN 0.017 nan 8.230 nan 0.000 0.451 37 S N -0.397 115.102 115.700 -0.334 0.000 2.470 37 S HA -0.009 4.461 4.470 0.000 0.000 0.225 37 S C 1.031 175.529 174.600 -0.169 0.000 1.006 37 S CA 0.256 58.338 58.200 -0.197 0.000 0.934 37 S CB 0.118 63.232 63.200 -0.143 0.000 0.778 37 S HN 0.499 nan 8.310 nan 0.000 0.517 38 N N -0.183 118.361 118.700 -0.260 0.000 2.366 38 N HA -0.145 4.595 4.740 0.000 0.000 0.211 38 N C 0.148 175.677 175.510 0.031 0.000 1.174 38 N CA 2.066 55.024 53.050 -0.155 0.000 2.731 38 N CB -1.923 36.491 38.487 -0.122 0.000 0.831 38 N HN 0.611 nan 8.380 nan 0.000 0.452 39 T N 0.907 115.466 114.554 0.008 0.000 2.829 39 T HA 0.366 4.716 4.350 0.000 0.000 0.293 39 T C 0.850 175.509 174.700 -0.068 0.000 0.970 39 T CA 0.631 62.699 62.100 -0.053 0.000 1.168 39 T CB 1.096 69.904 68.868 -0.100 0.000 0.911 39 T HN 0.381 nan 8.240 nan 0.000 0.535 40 N N -0.388 118.183 118.700 -0.214 0.000 2.994 40 N HA -0.133 4.607 4.740 0.000 0.000 0.221 40 N C -0.940 174.354 175.510 -0.360 0.000 0.900 40 N CA 0.997 53.814 53.050 -0.388 0.000 1.008 40 N CB -1.571 36.535 38.487 -0.634 0.000 1.053 40 N HN 0.815 nan 8.380 nan 0.000 0.580 41 W N 1.133 122.252 121.300 -0.302 0.000 2.365 41 W HA 0.582 5.242 4.660 0.000 0.000 0.316 41 W C 0.621 176.925 176.519 -0.358 0.000 1.164 41 W CA -0.343 56.845 57.345 -0.262 0.000 1.204 41 W CB 0.221 29.560 29.460 -0.203 0.000 1.213 41 W HN -0.130 nan 8.180 nan 0.000 0.539 42 F N 2.182 122.004 119.950 -0.214 0.000 2.375 42 F HA 0.599 5.126 4.527 0.000 0.000 0.333 42 F C 0.742 176.471 175.800 -0.119 0.000 1.104 42 F CA -0.330 57.477 58.000 -0.322 0.000 1.149 42 F CB 0.847 39.264 39.000 -0.973 0.000 1.190 42 F HN 0.363 nan 8.300 nan 0.000 0.533 43 A N 1.368 124.349 122.820 0.269 0.000 2.594 43 A HA 0.821 5.141 4.320 0.000 0.000 0.291 43 A C -1.243 176.457 177.584 0.193 0.000 1.105 43 A CA -0.676 51.516 52.037 0.258 0.000 0.694 43 A CB 0.711 19.785 19.000 0.124 0.000 1.291 43 A HN 0.962 nan 8.150 nan 0.000 0.410 44 A N -0.497 122.318 122.820 -0.008 0.000 2.462 44 A HA 0.533 4.853 4.320 0.000 0.000 0.243 44 A C 1.050 178.569 177.584 -0.107 0.000 1.076 44 A CA 0.507 52.359 52.037 -0.308 0.000 0.773 44 A CB -0.020 18.784 19.000 -0.326 0.000 1.010 44 A HN 2.050 nan 8.150 nan 0.000 0.493 45 G N 0.082 108.808 108.800 -0.123 0.000 2.599 45 G HA2 0.443 4.403 3.960 0.000 0.000 0.196 45 G HA3 0.443 4.403 3.960 0.000 0.000 0.196 45 G C 0.191 175.078 174.900 -0.022 0.000 1.148 45 G CA 0.911 45.989 45.100 -0.037 0.000 0.809 45 G HN 1.614 nan 8.290 nan 0.000 0.764 46 S N -0.795 114.874 115.700 -0.052 0.000 2.615 46 S HA 0.734 5.204 4.470 0.000 0.000 0.268 46 S C -0.864 173.716 174.600 -0.034 0.000 1.146 46 S CA 0.097 58.290 58.200 -0.011 0.000 0.818 46 S CB 1.666 64.862 63.200 -0.007 0.000 1.111 46 S HN 1.219 nan 8.310 nan 0.000 0.465 47 S N -0.391 115.314 115.700 0.007 0.000 2.643 47 S HA 0.914 5.384 4.470 0.000 0.000 0.270 47 S C -0.962 173.627 174.600 -0.018 0.000 1.166 47 S CA -0.307 57.892 58.200 -0.001 0.000 0.815 47 S CB 1.240 64.479 63.200 0.065 0.000 1.139 47 S HN 1.916 nan 8.310 nan 0.000 0.472 48 T N -1.407 113.118 114.554 -0.049 0.000 2.900 48 T HA 0.789 5.139 4.350 0.000 0.000 0.295 48 T C -3.396 171.185 174.700 -0.198 0.000 1.044 48 T CA -2.044 59.991 62.100 -0.109 0.000 0.995 48 T CB 1.194 70.004 68.868 -0.098 0.000 1.072 48 T HN 0.438 nan 8.240 nan 0.000 0.473 49 P HA 0.415 nan 4.420 nan 0.000 0.269 49 P C 0.452 177.463 177.300 -0.482 0.000 1.209 49 P CA -0.121 62.456 63.100 -0.870 0.000 0.776 49 P CB 0.388 31.298 31.700 -1.317 0.000 0.876 50 G N 0.883 109.467 108.800 -0.361 0.000 4.921 50 G HA2 0.506 4.466 3.960 0.000 0.000 0.248 50 G HA3 0.506 4.466 3.960 0.000 0.000 0.248 50 G C 0.075 175.000 174.900 0.041 0.000 1.026 50 G CA 0.048 45.095 45.100 -0.088 0.000 0.825 50 G HN 0.856 nan 8.290 nan 0.000 0.538 51 G N 0.218 109.058 108.800 0.065 0.000 2.764 51 G HA2 -0.118 3.842 3.960 0.000 0.000 0.686 51 G HA3 -0.118 3.842 3.960 0.000 0.000 0.686 51 G C -0.437 174.647 174.900 0.307 0.000 1.258 51 G CA -0.465 44.748 45.100 0.187 0.000 0.846 51 G HN 0.760 nan 8.290 nan 0.000 0.596 52 I N 1.978 122.714 120.570 0.276 0.000 2.362 52 I HA 0.590 4.760 4.170 0.000 0.000 0.289 52 I C 0.690 176.894 176.117 0.145 0.000 0.994 52 I CA -0.295 61.122 61.300 0.195 0.000 1.158 52 I CB 2.122 40.198 38.000 0.126 0.000 1.315 52 I HN 0.820 nan 8.210 nan 0.000 0.451 53 T N 1.100 115.734 114.554 0.133 0.000 2.848 53 T HA 0.497 4.847 4.350 0.000 0.000 0.285 53 T C -0.166 174.605 174.700 0.118 0.000 0.995 53 T CA -0.466 61.700 62.100 0.110 0.000 0.970 53 T CB 1.911 70.831 68.868 0.087 0.000 0.976 53 T HN 0.680 nan 8.240 nan 0.000 0.441 54 D N 1.530 121.994 120.400 0.107 0.000 3.685 54 D HA -0.190 4.450 4.640 0.000 0.000 0.152 54 D C -0.235 176.253 176.300 0.314 0.000 0.966 54 D CA 1.738 55.797 54.000 0.100 0.000 1.085 54 D CB -0.872 39.937 40.800 0.014 0.000 0.521 54 D HN 0.737 nan 8.370 nan 0.000 0.543 55 W N 1.408 122.714 121.300 0.010 0.000 3.015 55 W HA 0.405 5.065 4.660 0.000 0.000 0.429 55 W C -0.038 176.466 176.519 -0.025 0.000 0.976 55 W CA 0.033 57.370 57.345 -0.015 0.000 2.086 55 W CB -0.393 29.066 29.460 -0.003 0.000 1.125 55 W HN -0.039 nan 8.180 nan 0.000 0.721 56 T N 0.821 115.497 114.554 0.203 0.000 2.833 56 T HA 0.674 5.024 4.350 0.000 0.000 0.297 56 T C 0.095 174.876 174.700 0.135 0.000 1.015 56 T CA -0.377 61.812 62.100 0.147 0.000 0.963 56 T CB 1.758 70.721 68.868 0.157 0.000 0.955 56 T HN -0.043 nan 8.240 nan 0.000 0.449 57 A N 3.022 125.905 122.820 0.105 0.000 2.304 57 A HA 0.730 5.050 4.320 0.000 0.000 0.301 57 A C 0.352 178.097 177.584 0.267 0.000 1.132 57 A CA -0.579 51.561 52.037 0.172 0.000 0.819 57 A CB 0.437 19.445 19.000 0.014 0.000 1.094 57 A HN 0.667 nan 8.150 nan 0.000 0.492 58 T N 3.069 117.824 114.554 0.336 0.000 2.779 58 T HA 0.563 4.913 4.350 0.000 0.000 0.280 58 T C -0.293 174.601 174.700 0.323 0.000 0.987 58 T CA -0.051 62.222 62.100 0.289 0.000 0.966 58 T CB 0.699 69.684 68.868 0.195 0.000 0.933 58 T HN 0.578 nan 8.240 nan 0.000 0.442 59 M N 3.346 123.129 119.600 0.305 0.000 2.227 59 M HA 0.397 4.877 4.480 0.000 0.000 0.335 59 M C -0.108 176.270 176.300 0.131 0.000 1.053 59 M CA -0.839 54.602 55.300 0.235 0.000 0.973 59 M CB 1.259 34.079 32.600 0.368 0.000 1.623 59 M HN 0.338 nan 8.290 nan 0.000 0.434 60 N N 3.241 121.970 118.700 0.049 0.000 2.663 60 N HA 0.190 4.930 4.740 0.000 0.000 0.250 60 N C -0.927 174.570 175.510 -0.020 0.000 1.129 60 N CA 0.012 53.075 53.050 0.021 0.000 0.995 60 N CB 0.609 39.092 38.487 -0.006 0.000 1.324 60 N HN 0.373 nan 8.380 nan 0.000 0.512 61 V N 2.466 122.343 119.914 -0.062 0.000 2.488 61 V HA 0.093 4.213 4.120 0.000 0.000 0.277 61 V C 0.620 176.525 176.094 -0.315 0.000 1.046 61 V CA -0.705 61.435 62.300 -0.266 0.000 0.986 61 V CB 0.707 32.195 31.823 -0.558 0.000 0.989 61 V HN 0.427 nan 8.190 nan 0.000 0.475 62 N N 4.543 123.086 118.700 -0.262 0.000 2.401 62 N HA 0.313 5.053 4.740 0.000 0.000 0.255 62 N C -0.738 174.640 175.510 -0.220 0.000 1.110 62 N CA 0.088 53.052 53.050 -0.144 0.000 0.949 62 N CB 0.594 39.043 38.487 -0.063 0.000 1.110 62 N HN 0.453 nan 8.380 nan 0.000 0.490 63 F N 1.095 121.061 119.950 0.026 0.000 2.404 63 F HA 0.253 4.780 4.527 0.000 0.000 0.345 63 F C 0.791 176.762 175.800 0.286 0.000 1.110 63 F CA -0.384 57.675 58.000 0.097 0.000 1.130 63 F CB 1.089 40.106 39.000 0.029 0.000 1.129 63 F HN 0.183 nan 8.300 nan 0.000 0.500 64 D N 2.558 123.213 120.400 0.425 0.000 2.498 64 D HA 0.243 4.883 4.640 0.000 0.000 0.247 64 D C -0.183 176.179 176.300 0.104 0.000 1.070 64 D CA -0.690 53.479 54.000 0.282 0.000 0.842 64 D CB 1.661 42.528 40.800 0.113 0.000 1.361 64 D HN 0.229 nan 8.370 nan 0.000 0.484 65 R N 2.002 122.394 120.500 -0.180 0.000 2.421 65 R HA 0.153 4.493 4.340 0.000 0.000 0.305 65 R C 1.268 177.467 176.300 -0.169 0.000 1.039 65 R CA -0.026 55.827 56.100 -0.411 0.000 1.003 65 R CB 0.517 30.518 30.300 -0.498 0.000 0.959 65 R HN 0.530 nan 8.270 nan 0.000 0.427 66 I N 1.959 122.453 120.570 -0.127 0.000 2.361 66 I HA -0.302 3.868 4.170 0.000 0.000 0.251 66 I C 1.861 177.932 176.117 -0.076 0.000 1.133 66 I CA 1.433 62.690 61.300 -0.071 0.000 1.413 66 I CB -0.249 37.719 38.000 -0.053 0.000 1.073 66 I HN 0.591 nan 8.210 nan 0.000 0.424 67 D N -0.155 120.186 120.400 -0.100 0.000 2.289 67 D HA -0.119 4.521 4.640 0.000 0.000 0.207 67 D C 0.721 176.974 176.300 -0.079 0.000 0.966 67 D CA 0.606 54.553 54.000 -0.088 0.000 0.868 67 D CB -0.175 40.561 40.800 -0.107 0.000 0.943 67 D HN 0.254 nan 8.370 nan 0.000 0.514 68 N N 0.290 118.935 118.700 -0.092 0.000 2.710 68 N HA 0.178 4.918 4.740 0.000 0.000 0.244 68 N C -2.439 173.038 175.510 -0.055 0.000 1.321 68 N CA -1.419 51.592 53.050 -0.064 0.000 0.758 68 N CB 1.785 40.237 38.487 -0.058 0.000 1.284 68 N HN -0.267 nan 8.380 nan 0.000 0.530 69 P HA -0.090 nan 4.420 nan 0.000 0.226 69 P C 1.317 178.628 177.300 0.019 0.000 1.146 69 P CA 0.964 64.060 63.100 -0.007 0.000 0.773 69 P CB 0.282 31.980 31.700 -0.004 0.000 0.772 70 S N -0.887 114.821 115.700 0.013 0.000 2.423 70 S HA -0.062 4.408 4.470 0.000 0.000 0.231 70 S C 0.938 175.569 174.600 0.053 0.000 1.014 70 S CA 0.372 58.588 58.200 0.028 0.000 0.965 70 S CB -1.200 62.010 63.200 0.017 0.000 0.785 70 S HN 0.060 nan 8.310 nan 0.000 0.495 71 I N 2.363 122.965 120.570 0.054 0.000 2.421 71 I HA 0.248 4.418 4.170 0.000 0.000 0.291 71 I C 0.281 176.540 176.117 0.237 0.000 1.089 71 I CA 0.089 61.456 61.300 0.112 0.000 1.354 71 I CB 0.798 38.834 38.000 0.060 0.000 1.413 71 I HN 0.134 nan 8.210 nan 0.000 0.513 72 T N 6.567 121.279 114.554 0.264 0.000 2.893 72 T HA 0.693 5.043 4.350 0.000 0.000 0.293 72 T C -0.714 174.109 174.700 0.205 0.000 1.027 72 T CA -0.550 61.728 62.100 0.296 0.000 0.988 72 T CB 1.271 70.233 68.868 0.155 0.000 1.043 72 T HN 0.388 nan 8.240 nan 0.000 0.461 73 V N 2.586 122.567 119.914 0.112 0.000 3.040 73 V HA 0.761 4.881 4.120 0.000 0.000 0.312 73 V C -0.970 175.116 176.094 -0.014 0.000 1.115 73 V CA -0.995 61.259 62.300 -0.076 0.000 0.998 73 V CB 1.911 33.565 31.823 -0.282 0.000 1.042 73 V HN 0.966 nan 8.190 nan 0.000 0.433 74 Q N 1.874 121.579 119.800 -0.158 0.000 2.333 74 Q HA 0.524 4.864 4.340 0.000 0.000 0.267 74 Q C -1.674 174.142 176.000 -0.306 0.000 1.012 74 Q CA -0.639 55.114 55.803 -0.084 0.000 0.824 74 Q CB 1.475 30.173 28.738 -0.066 0.000 1.290 74 Q HN 1.009 nan 8.270 nan 0.000 0.449 75 H N 3.574 122.788 119.070 0.240 0.000 2.679 75 H HA 0.378 4.934 4.556 0.000 0.000 0.360 75 H C -2.504 172.917 175.328 0.154 0.000 1.105 75 H CA -1.863 54.279 56.048 0.157 0.000 1.196 75 H CB 2.064 31.864 29.762 0.064 0.000 1.636 75 H HN 0.534 nan 8.280 nan 0.000 0.531 76 P HA 0.033 nan 4.420 nan 0.000 0.271 76 P C -0.235 177.203 177.300 0.230 0.000 1.233 76 P CA -0.123 63.089 63.100 0.188 0.000 0.764 76 P CB 0.852 32.648 31.700 0.161 0.000 0.825 77 V N 5.253 125.278 119.914 0.186 0.000 2.435 77 V HA 0.247 4.367 4.120 0.000 0.000 0.290 77 V C 0.485 176.752 176.094 0.288 0.000 1.030 77 V CA -0.491 61.939 62.300 0.216 0.000 0.881 77 V CB 1.451 33.252 31.823 -0.036 0.000 0.983 77 V HN 0.460 nan 8.190 nan 0.000 0.445 78 Q N 2.912 122.903 119.800 0.318 0.000 2.271 78 Q HA 0.610 4.950 4.340 0.000 0.000 0.258 78 Q C -1.143 175.068 176.000 0.352 0.000 0.936 78 Q CA -0.567 55.416 55.803 0.299 0.000 0.909 78 Q CB 2.456 31.339 28.738 0.242 0.000 1.253 78 Q HN 0.590 nan 8.270 nan 0.000 0.440 79 V N 3.128 123.238 119.914 0.326 0.000 2.384 79 V HA 0.310 4.430 4.120 0.000 0.000 0.287 79 V C -0.437 175.739 176.094 0.136 0.000 1.020 79 V CA -0.575 61.908 62.300 0.304 0.000 0.850 79 V CB 1.408 33.397 31.823 0.277 0.000 0.987 79 V HN 0.714 nan 8.190 nan 0.000 0.436 80 Q N 3.851 123.747 119.800 0.162 0.000 2.304 80 Q HA 0.533 4.873 4.340 0.000 0.000 0.270 80 Q C -1.495 174.577 176.000 0.120 0.000 1.035 80 Q CA -0.610 55.268 55.803 0.124 0.000 0.781 80 Q CB 2.380 31.237 28.738 0.198 0.000 1.261 80 Q HN 0.562 nan 8.270 nan 0.000 0.444 81 V N 4.294 124.206 119.914 -0.002 0.000 2.446 81 V HA 0.031 4.151 4.120 0.000 0.000 0.276 81 V C 1.334 177.652 176.094 0.372 0.000 1.030 81 V CA 0.878 63.219 62.300 0.069 0.000 1.033 81 V CB 0.569 32.260 31.823 -0.219 0.000 0.993 81 V HN 1.033 nan 8.190 nan 0.000 0.477 82 T N 0.535 115.325 114.554 0.395 0.000 3.009 82 T HA 0.091 4.442 4.350 0.000 0.000 0.258 82 T C 0.781 175.745 174.700 0.441 0.000 1.063 82 T CA 0.507 62.858 62.100 0.418 0.000 1.139 82 T CB 0.327 69.449 68.868 0.423 0.000 0.890 82 T HN 0.548 nan 8.240 nan 0.000 0.471 83 S N -0.450 115.508 115.700 0.430 0.000 2.652 83 S HA 0.414 4.884 4.470 0.000 0.000 0.273 83 S C -0.526 174.291 174.600 0.361 0.000 1.172 83 S CA -0.893 57.562 58.200 0.424 0.000 1.009 83 S CB 1.098 64.505 63.200 0.345 0.000 1.094 83 S HN 0.323 nan 8.310 nan 0.000 0.471 84 Y N 5.300 125.745 120.300 0.242 0.000 2.206 84 Y HA 0.083 4.633 4.550 0.000 0.000 0.292 84 Y C 1.825 177.805 175.900 0.133 0.000 1.123 84 Y CA 1.763 59.919 58.100 0.093 0.000 1.142 84 Y CB -0.058 38.394 38.460 -0.014 0.000 1.006 84 Y HN 0.674 nan 8.280 nan 0.000 0.518 85 N N 0.478 119.371 118.700 0.322 0.000 2.309 85 N HA -0.151 4.589 4.740 0.000 0.000 0.182 85 N C 0.486 176.081 175.510 0.142 0.000 1.018 85 N CA 1.280 54.453 53.050 0.205 0.000 0.876 85 N CB -0.313 38.319 38.487 0.241 0.000 0.972 85 N HN 0.486 nan 8.380 nan 0.000 0.434 86 N N 1.119 119.932 118.700 0.188 0.000 2.214 86 N HA 0.056 4.796 4.740 0.000 0.000 0.214 86 N C -0.813 174.842 175.510 0.240 0.000 1.132 86 N CA -0.078 53.094 53.050 0.202 0.000 0.856 86 N CB 0.164 38.785 38.487 0.224 0.000 1.020 86 N HN 0.105 nan 8.380 nan 0.000 0.509 87 N N 1.680 120.498 118.700 0.196 0.000 2.614 87 N HA -0.148 4.592 4.740 0.000 0.000 0.276 87 N C -0.980 174.744 175.510 0.357 0.000 1.119 87 N CA 0.876 54.064 53.050 0.231 0.000 0.742 87 N CB -1.065 37.608 38.487 0.311 0.000 0.900 87 N HN 0.388 nan 8.380 nan 0.000 0.549 88 S N -0.366 115.559 115.700 0.374 0.000 2.543 88 S HA 0.706 5.176 4.470 0.000 0.000 0.271 88 S C -0.766 174.137 174.600 0.505 0.000 1.148 88 S CA -1.014 57.452 58.200 0.444 0.000 0.914 88 S CB 2.149 65.589 63.200 0.401 0.000 1.096 88 S HN 0.421 nan 8.310 nan 0.000 0.471 89 Y N 0.381 120.909 120.300 0.379 0.000 2.790 89 Y HA 0.850 5.400 4.550 0.000 0.000 0.323 89 Y C -0.481 175.647 175.900 0.380 0.000 1.230 89 Y CA -1.412 56.879 58.100 0.317 0.000 1.121 89 Y CB 1.044 39.640 38.460 0.228 0.000 1.328 89 Y HN 0.973 nan 8.280 nan 0.000 0.514 90 R N 1.076 121.776 120.500 0.333 0.000 2.673 90 R HA 0.761 5.101 4.340 0.000 0.000 0.281 90 R C -2.486 173.997 176.300 0.306 0.000 0.991 90 R CA -0.800 55.347 56.100 0.078 0.000 0.896 90 R CB 2.407 32.686 30.300 -0.035 0.000 1.201 90 R HN 0.744 nan 8.270 nan 0.000 0.457 91 V N 4.636 124.734 119.914 0.306 0.000 2.531 91 V HA 0.632 4.752 4.120 0.000 0.000 0.301 91 V C -0.538 175.839 176.094 0.473 0.000 1.034 91 V CA -0.743 61.879 62.300 0.537 0.000 0.865 91 V CB 1.743 34.076 31.823 0.850 0.000 0.995 91 V HN 0.755 nan 8.190 nan 0.000 0.424 92 R N 5.034 125.817 120.500 0.472 0.000 2.566 92 R HA 0.658 4.998 4.340 0.000 0.000 0.271 92 R C -2.217 174.361 176.300 0.463 0.000 1.071 92 R CA -0.356 55.994 56.100 0.417 0.000 0.915 92 R CB 2.374 32.801 30.300 0.211 0.000 1.228 92 R HN 0.711 nan 8.270 nan 0.000 0.449 93 F N 0.987 121.081 119.950 0.241 0.000 2.713 93 F HA 0.544 5.071 4.527 0.000 0.000 0.311 93 F C -2.033 173.777 175.800 0.016 0.000 1.141 93 F CA -1.106 56.952 58.000 0.097 0.000 0.939 93 F CB 1.532 40.563 39.000 0.051 0.000 1.325 93 F HN 0.437 nan 8.300 nan 0.000 0.453 94 N N 1.753 120.403 118.700 -0.084 0.000 2.483 94 N HA 0.541 5.281 4.740 0.000 0.000 0.267 94 N C -2.466 172.754 175.510 -0.484 0.000 0.998 94 N CA -2.653 50.203 53.050 -0.323 0.000 0.918 94 N CB 2.233 40.613 38.487 -0.179 0.000 1.215 94 N HN 0.314 nan 8.380 nan 0.000 0.500 95 P HA 0.114 nan 4.420 nan 0.000 0.237 95 P C -0.471 176.286 177.300 -0.904 0.000 1.178 95 P CA 0.977 63.288 63.100 -1.314 0.000 0.766 95 P CB 0.504 31.271 31.700 -1.556 0.000 0.876 96 D N -1.989 118.104 120.400 -0.513 0.000 2.449 96 D HA 0.313 4.953 4.640 0.000 0.000 0.210 96 D C 1.099 177.296 176.300 -0.172 0.000 1.094 96 D CA 0.310 54.136 54.000 -0.289 0.000 0.846 96 D CB 0.680 41.350 40.800 -0.218 0.000 1.003 96 D HN 0.098 nan 8.370 nan 0.000 0.504 97 G N 0.344 109.046 108.800 -0.162 0.000 2.348 97 G HA2 0.247 4.207 3.960 0.000 0.000 0.296 97 G HA3 0.247 4.207 3.960 0.000 0.000 0.296 97 G C -2.871 171.997 174.900 -0.053 0.000 1.258 97 G CA -0.900 44.155 45.100 -0.075 0.000 0.868 97 G HN -0.228 nan 8.290 nan 0.000 0.488 98 P HA 0.351 nan 4.420 nan 0.000 0.271 98 P C 0.057 177.335 177.300 -0.037 0.000 1.216 98 P CA -0.037 63.056 63.100 -0.011 0.000 0.776 98 P CB 0.765 32.460 31.700 -0.009 0.000 0.881 99 I N 3.066 123.639 120.570 0.005 0.000 2.668 99 I HA 0.075 4.245 4.170 0.000 0.000 0.285 99 I C 1.368 177.481 176.117 -0.007 0.000 1.168 99 I CA 0.509 61.817 61.300 0.013 0.000 1.424 99 I CB -0.127 37.918 38.000 0.076 0.000 1.377 99 I HN 0.188 nan 8.210 nan 0.000 0.560 100 R N 4.698 125.180 120.500 -0.030 0.000 2.740 100 R HA 0.348 4.688 4.340 0.000 0.000 0.282 100 R C -1.055 175.354 176.300 0.181 0.000 0.969 100 R CA -0.940 55.154 56.100 -0.010 0.000 0.918 100 R CB 1.771 31.884 30.300 -0.312 0.000 1.175 100 R HN 0.548 nan 8.270 nan 0.000 0.464 101 D N 2.581 123.086 120.400 0.176 0.000 2.304 101 D HA 0.079 4.719 4.640 0.000 0.000 0.250 101 D C 0.401 176.832 176.300 0.219 0.000 1.107 101 D CA -0.116 53.984 54.000 0.167 0.000 0.885 101 D CB 1.578 42.435 40.800 0.095 0.000 1.192 101 D HN 0.212 nan 8.370 nan 0.000 0.436 102 V N 0.596 120.528 119.914 0.031 0.000 2.843 102 V HA 0.163 4.283 4.120 0.000 0.000 0.305 102 V C 1.313 177.336 176.094 -0.118 0.000 1.065 102 V CA -0.061 62.077 62.300 -0.270 0.000 1.116 102 V CB 0.867 32.472 31.823 -0.363 0.000 0.968 102 V HN 0.722 nan 8.190 nan 0.000 0.487 103 T N 0.441 114.911 114.554 -0.141 0.000 3.040 103 T HA 0.262 4.612 4.350 0.000 0.000 0.250 103 T C 0.604 175.286 174.700 -0.030 0.000 1.058 103 T CA 0.198 62.276 62.100 -0.037 0.000 0.988 103 T CB -0.057 68.822 68.868 0.017 0.000 0.993 103 T HN 0.899 nan 8.240 nan 0.000 0.519 104 R N -0.051 120.398 120.500 -0.085 0.000 2.584 104 R HA 0.585 4.925 4.340 0.000 0.000 0.276 104 R C -1.048 175.193 176.300 -0.099 0.000 1.046 104 R CA -0.095 55.995 56.100 -0.016 0.000 0.906 104 R CB 1.547 31.855 30.300 0.013 0.000 1.215 104 R HN 0.408 nan 8.270 nan 0.000 0.449 105 G N 3.525 112.315 108.800 -0.016 0.000 2.353 105 G HA2 0.040 4.000 3.960 0.000 0.000 0.308 105 G HA3 0.040 4.000 3.960 0.000 0.000 0.308 105 G C -2.615 172.313 174.900 0.045 0.000 1.418 105 G CA -0.731 44.260 45.100 -0.182 0.000 0.966 105 G HN 0.365 nan 8.290 nan 0.000 0.638 106 P HA 0.000 nan 4.420 nan 0.000 0.214 106 P C 0.867 178.168 177.300 0.003 0.000 1.163 106 P CA 1.148 64.269 63.100 0.035 0.000 0.889 106 P CB 0.084 31.727 31.700 -0.095 0.000 0.790 107 I N 0.875 121.478 120.570 0.055 0.000 2.291 107 I HA 0.244 4.414 4.170 0.000 0.000 0.290 107 I C 0.536 176.680 176.117 0.045 0.000 1.050 107 I CA -0.772 60.555 61.300 0.045 0.000 1.245 107 I CB 0.188 38.245 38.000 0.095 0.000 1.405 107 I HN -0.102 nan 8.210 nan 0.000 0.478 108 L N 5.814 127.035 121.223 -0.003 0.000 2.325 108 L HA 0.394 4.734 4.340 0.000 0.000 0.278 108 L C 1.587 178.403 176.870 -0.090 0.000 1.023 108 L CA -0.652 54.156 54.840 -0.054 0.000 0.811 108 L CB 2.166 44.162 42.059 -0.106 0.000 1.249 108 L HN 0.553 nan 8.230 nan 0.000 0.431 109 K N 1.487 121.844 120.400 -0.072 0.000 2.103 109 K HA -0.235 4.085 4.320 0.000 0.000 0.207 109 K C 1.494 178.005 176.600 -0.148 0.000 1.048 109 K CA 1.888 58.141 56.287 -0.057 0.000 0.930 109 K CB 0.215 32.701 32.500 -0.022 0.000 0.716 109 K HN 0.620 nan 8.250 nan 0.000 0.444 110 Q N 0.460 120.061 119.800 -0.332 0.000 2.096 110 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 110 Q C 2.097 177.765 176.000 -0.553 0.000 0.982 110 Q CA 1.956 57.429 55.803 -0.550 0.000 0.850 110 Q CB -0.230 27.890 28.738 -1.029 0.000 0.901 110 Q HN 0.365 nan 8.270 nan 0.000 0.422 111 Q N 0.447 119.899 119.800 -0.581 0.000 2.079 111 Q HA -0.067 4.273 4.340 0.000 0.000 0.200 111 Q C 1.755 177.821 176.000 0.110 0.000 0.974 111 Q CA 1.355 57.090 55.803 -0.112 0.000 0.840 111 Q CB -0.169 28.568 28.738 -0.001 0.000 0.898 111 Q HN 0.450 nan 8.270 nan 0.000 0.430 112 L N 0.420 121.676 121.223 0.056 0.000 2.131 112 L HA -0.173 4.167 4.340 0.000 0.000 0.210 112 L C 1.836 178.757 176.870 0.085 0.000 1.092 112 L CA 1.127 56.037 54.840 0.117 0.000 0.759 112 L CB -0.578 41.555 42.059 0.124 0.000 0.903 112 L HN 0.225 nan 8.230 nan 0.000 0.435 113 D N -0.530 119.894 120.400 0.041 0.000 2.097 113 D HA -0.235 4.405 4.640 0.000 0.000 0.195 113 D C 1.736 178.062 176.300 0.043 0.000 0.989 113 D CA 1.194 55.198 54.000 0.006 0.000 0.827 113 D CB -0.273 40.526 40.800 -0.001 0.000 0.966 113 D HN 0.412 nan 8.370 nan 0.000 0.456 114 W N 1.565 122.847 121.300 -0.030 0.000 2.335 114 W HA -0.135 4.526 4.660 0.000 0.000 0.311 114 W C 2.170 178.697 176.519 0.013 0.000 1.213 114 W CA 1.283 58.640 57.345 0.021 0.000 1.274 114 W CB -0.379 29.146 29.460 0.107 0.000 1.148 114 W HN -0.127 nan 8.180 nan 0.000 0.498 115 I N 0.246 120.987 120.570 0.285 0.000 2.226 115 I HA -0.315 3.855 4.170 0.000 0.000 0.245 115 I C 2.698 178.756 176.117 -0.097 0.000 1.100 115 I CA 1.758 63.140 61.300 0.137 0.000 1.374 115 I CB -0.737 37.444 38.000 0.301 0.000 1.057 115 I HN 0.008 nan 8.210 nan 0.000 0.413 116 R N 0.612 121.012 120.500 -0.167 0.000 2.075 116 R HA -0.148 4.192 4.340 0.000 0.000 0.232 116 R C 2.275 178.266 176.300 -0.516 0.000 1.126 116 R CA 2.045 57.841 56.100 -0.507 0.000 0.963 116 R CB -0.258 29.657 30.300 -0.640 0.000 0.858 116 R HN 0.264 nan 8.270 nan 0.000 0.435 117 T N 1.133 115.455 114.554 -0.386 0.000 2.746 117 T HA -0.137 4.213 4.350 0.000 0.000 0.267 117 T C 1.747 176.230 174.700 -0.362 0.000 1.039 117 T CA 1.004 62.896 62.100 -0.346 0.000 1.142 117 T CB -0.139 68.555 68.868 -0.289 0.000 0.866 117 T HN 0.254 nan 8.240 nan 0.000 0.444 118 Q N 1.036 120.539 119.800 -0.494 0.000 2.050 118 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 118 Q C 2.303 178.178 176.000 -0.208 0.000 0.980 118 Q CA 1.520 57.053 55.803 -0.451 0.000 0.840 118 Q CB -0.278 28.049 28.738 -0.685 0.000 0.898 118 Q HN 0.665 nan 8.270 nan 0.000 0.424 119 E N 0.135 120.257 120.200 -0.130 0.000 2.152 119 E HA -0.047 4.303 4.350 0.000 0.000 0.192 119 E C 2.202 178.830 176.600 0.046 0.000 0.983 119 E CA 0.176 56.607 56.400 0.052 0.000 0.818 119 E CB 0.029 29.901 29.700 0.285 0.000 0.758 119 E HN 0.226 nan 8.360 nan 0.000 0.467 120 L N 1.045 122.215 121.223 -0.088 0.000 2.083 120 L HA -0.193 4.147 4.340 0.000 0.000 0.209 120 L C 2.646 179.486 176.870 -0.050 0.000 1.083 120 L CA 1.452 56.253 54.840 -0.065 0.000 0.752 120 L CB -0.424 41.518 42.059 -0.194 0.000 0.899 120 L HN 0.221 nan 8.230 nan 0.000 0.433 121 S N -1.114 114.535 115.700 -0.084 0.000 2.481 121 S HA -0.145 4.325 4.470 0.000 0.000 0.231 121 S C 1.466 176.047 174.600 -0.032 0.000 0.996 121 S CA 0.754 58.916 58.200 -0.063 0.000 0.942 121 S CB -0.226 62.922 63.200 -0.087 0.000 0.768 121 S HN 0.499 nan 8.310 nan 0.000 0.520 122 E N 0.618 120.808 120.200 -0.018 0.000 2.479 122 E HA 0.293 4.643 4.350 0.000 0.000 0.193 122 E C 1.123 177.727 176.600 0.005 0.000 1.049 122 E CA 0.162 56.566 56.400 0.006 0.000 0.870 122 E CB -0.046 29.672 29.700 0.031 0.000 0.944 122 E HN 0.695 nan 8.360 nan 0.000 0.492 123 G N 1.212 110.009 108.800 -0.005 0.000 2.136 123 G HA2 -0.308 3.652 3.960 0.000 0.000 0.242 123 G HA3 -0.308 3.652 3.960 0.000 0.000 0.242 123 G C 0.289 175.142 174.900 -0.077 0.000 0.989 123 G CA -0.109 44.978 45.100 -0.021 0.000 0.682 123 G HN 0.331 nan 8.290 nan 0.000 0.522 124 C N 1.251 120.498 119.300 -0.088 0.000 2.648 124 C HA 0.449 4.909 4.460 0.000 0.000 0.406 124 C C 0.501 175.256 174.990 -0.391 0.000 1.406 124 C CA -0.091 58.697 59.018 -0.383 0.000 1.610 124 C CB 0.159 27.801 27.740 -0.165 0.000 2.451 124 C HN 0.459 nan 8.230 nan 0.000 0.608 125 D N 4.011 124.014 120.400 -0.662 0.000 2.440 125 D HA 0.313 4.953 4.640 0.000 0.000 0.252 125 D C -1.540 174.496 176.300 -0.440 0.000 1.180 125 D CA -1.655 52.110 54.000 -0.391 0.000 0.894 125 D CB 1.404 42.102 40.800 -0.171 0.000 1.111 125 D HN 0.202 nan 8.370 nan 0.000 0.544 126 P HA 0.108 nan 4.420 nan 0.000 0.218 126 P C 0.628 177.869 177.300 -0.099 0.000 1.149 126 P CA 0.855 63.835 63.100 -0.200 0.000 0.817 126 P CB 0.295 31.648 31.700 -0.578 0.000 0.785 127 G N -0.749 107.960 108.800 -0.152 0.000 2.248 127 G HA2 -0.267 3.693 3.960 0.000 0.000 0.263 127 G HA3 -0.267 3.693 3.960 0.000 0.000 0.263 127 G C 0.028 174.888 174.900 -0.067 0.000 1.082 127 G CA -0.275 44.778 45.100 -0.079 0.000 0.863 127 G HN 0.181 nan 8.290 nan 0.000 0.495 128 M N 0.571 120.112 119.600 -0.098 0.000 2.284 128 M HA 0.357 4.837 4.480 0.000 0.000 0.351 128 M C 0.699 176.927 176.300 -0.121 0.000 1.443 128 M CA 1.240 56.474 55.300 -0.110 0.000 1.031 128 M CB 0.687 33.190 32.600 -0.161 0.000 1.893 128 M HN 0.381 nan 8.290 nan 0.000 0.456 129 T N 3.559 118.006 114.554 -0.179 0.000 2.982 129 T HA 0.547 4.897 4.350 0.000 0.000 0.321 129 T C -1.545 173.015 174.700 -0.235 0.000 1.229 129 T CA -0.669 61.348 62.100 -0.138 0.000 1.044 129 T CB 0.777 69.616 68.868 -0.047 0.000 1.184 129 T HN 0.342 nan 8.240 nan 0.000 0.477 130 F N 4.042 124.001 119.950 0.015 0.000 2.404 130 F HA 0.386 4.913 4.527 0.000 0.000 0.358 130 F C 1.653 177.442 175.800 -0.018 0.000 1.120 130 F CA -0.443 57.560 58.000 0.004 0.000 1.144 130 F CB 1.264 40.265 39.000 0.001 0.000 1.133 130 F HN 0.666 nan 8.300 nan 0.000 0.495 131 T N -1.168 113.470 114.554 0.140 0.000 2.748 131 T HA 0.078 4.428 4.350 0.000 0.000 0.304 131 T C 1.454 176.138 174.700 -0.025 0.000 1.041 131 T CA -0.129 62.001 62.100 0.050 0.000 1.033 131 T CB 0.999 69.905 68.868 0.063 0.000 0.995 131 T HN 0.626 nan 8.240 nan 0.000 0.536 132 S N -0.046 115.620 115.700 -0.057 0.000 2.440 132 S HA -0.148 4.322 4.470 0.000 0.000 0.238 132 S C 1.391 175.880 174.600 -0.185 0.000 1.010 132 S CA 1.091 59.238 58.200 -0.089 0.000 0.972 132 S CB -0.671 62.492 63.200 -0.060 0.000 0.774 132 S HN 0.812 nan 8.310 nan 0.000 0.501 133 E N 0.917 120.902 120.200 -0.357 0.000 2.442 133 E HA 0.352 4.702 4.350 0.000 0.000 0.195 133 E C 1.379 177.610 176.600 -0.615 0.000 1.030 133 E CA 0.542 56.577 56.400 -0.608 0.000 0.869 133 E CB -0.224 28.811 29.700 -1.108 0.000 0.857 133 E HN 0.666 nan 8.360 nan 0.000 0.505 134 G N 0.093 108.655 108.800 -0.396 0.000 2.144 134 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 134 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 134 G C -0.270 174.689 174.900 0.098 0.000 0.988 134 G CA -0.484 44.535 45.100 -0.135 0.000 0.659 134 G HN 0.101 nan 8.290 nan 0.000 0.522 135 F N -0.006 120.032 119.950 0.147 0.000 2.429 135 F HA 0.647 5.174 4.527 0.000 0.000 0.348 135 F C 0.647 176.483 175.800 0.061 0.000 1.109 135 F CA -1.743 56.300 58.000 0.073 0.000 1.232 135 F CB 0.991 39.988 39.000 -0.004 0.000 1.157 135 F HN 0.087 nan 8.300 nan 0.000 0.564 136 L N 3.633 124.933 121.223 0.129 0.000 2.276 136 L HA 0.569 4.909 4.340 0.000 0.000 0.286 136 L C 0.006 176.749 176.870 -0.212 0.000 1.061 136 L CA -0.014 54.732 54.840 -0.157 0.000 0.807 136 L CB 0.686 42.615 42.059 -0.216 0.000 1.177 136 L HN 0.748 nan 8.230 nan 0.000 0.429 137 T N 2.340 116.769 114.554 -0.208 0.000 2.863 137 T HA 0.823 5.173 4.350 0.000 0.000 0.285 137 T C -0.536 174.085 174.700 -0.132 0.000 1.009 137 T CA -0.568 61.375 62.100 -0.262 0.000 0.989 137 T CB 1.332 70.066 68.868 -0.223 0.000 1.004 137 T HN 0.555 nan 8.240 nan 0.000 0.455 138 F N -1.063 118.713 119.950 -0.291 0.000 2.745 138 F HA 0.892 5.419 4.527 0.000 0.000 0.316 138 F C -0.976 174.681 175.800 -0.238 0.000 1.155 138 F CA -1.247 56.598 58.000 -0.259 0.000 0.937 138 F CB 1.342 40.172 39.000 -0.283 0.000 1.361 138 F HN 0.630 nan 8.300 nan 0.000 0.472 139 E N -0.009 120.213 120.200 0.038 0.000 2.369 139 E HA 0.606 4.956 4.350 0.000 0.000 0.270 139 E C -1.143 175.481 176.600 0.039 0.000 0.909 139 E CA -1.047 55.321 56.400 -0.054 0.000 0.775 139 E CB 2.858 32.536 29.700 -0.037 0.000 1.270 139 E HN 0.848 nan 8.360 nan 0.000 0.445 140 T N -2.328 112.118 114.554 -0.180 0.000 2.807 140 T HA 0.298 4.648 4.350 0.000 0.000 0.277 140 T C 1.019 175.163 174.700 -0.927 0.000 1.006 140 T CA -0.778 60.994 62.100 -0.547 0.000 1.006 140 T CB 1.380 70.094 68.868 -0.257 0.000 1.274 140 T HN 0.497 nan 8.240 nan 0.000 0.569 141 K N 0.108 119.721 120.400 -1.311 0.000 2.107 141 K HA -0.222 4.098 4.320 0.000 0.000 0.211 141 K C 0.672 177.097 176.600 -0.292 0.000 1.049 141 K CA 2.470 58.346 56.287 -0.684 0.000 0.927 141 K CB -0.191 32.111 32.500 -0.330 0.000 0.714 141 K HN 0.617 nan 8.250 nan 0.000 0.452 142 D N -1.084 119.171 120.400 -0.242 0.000 2.520 142 D HA 0.167 4.807 4.640 0.000 0.000 0.223 142 D C -0.107 176.052 176.300 -0.234 0.000 1.186 142 D CA 0.065 53.969 54.000 -0.160 0.000 0.821 142 D CB 0.754 41.524 40.800 -0.050 0.000 1.072 142 D HN 0.130 nan 8.370 nan 0.000 0.518 143 L N 0.713 121.770 121.223 -0.278 0.000 2.341 143 L HA 0.484 4.824 4.340 0.000 0.000 0.267 143 L C -0.155 176.533 176.870 -0.302 0.000 1.009 143 L CA -0.789 53.858 54.840 -0.322 0.000 0.819 143 L CB 2.223 44.068 42.059 -0.356 0.000 1.323 143 L HN -0.186 nan 8.230 nan 0.000 0.425 144 S N 0.662 116.155 115.700 -0.345 0.000 2.521 144 S HA 0.831 5.301 4.470 0.000 0.000 0.295 144 S C -0.929 173.343 174.600 -0.546 0.000 1.098 144 S CA -0.696 57.261 58.200 -0.405 0.000 0.999 144 S CB 2.036 65.053 63.200 -0.305 0.000 1.034 144 S HN 0.242 nan 8.310 nan 0.000 0.483 145 V N 3.407 122.829 119.914 -0.820 0.000 2.680 145 V HA 0.644 4.764 4.120 0.000 0.000 0.309 145 V C -0.600 174.969 176.094 -0.875 0.000 1.052 145 V CA -0.808 60.903 62.300 -0.982 0.000 0.908 145 V CB 1.757 32.605 31.823 -1.625 0.000 1.001 145 V HN 0.995 nan 8.190 nan 0.000 0.431 146 I N 4.572 124.704 120.570 -0.730 0.000 2.478 146 I HA 0.582 4.752 4.170 0.000 0.000 0.287 146 I C -1.191 174.443 176.117 -0.805 0.000 1.042 146 I CA -0.401 60.461 61.300 -0.731 0.000 1.067 146 I CB 1.281 38.844 38.000 -0.728 0.000 1.233 146 I HN 0.552 nan 8.210 nan 0.000 0.431 147 I N 8.263 128.420 120.570 -0.687 0.000 2.382 147 I HA 0.316 4.486 4.170 0.000 0.000 0.286 147 I C -0.731 175.112 176.117 -0.457 0.000 1.002 147 I CA -0.497 60.434 61.300 -0.616 0.000 1.135 147 I CB 0.900 38.525 38.000 -0.625 0.000 1.288 147 I HN 0.475 nan 8.210 nan 0.000 0.448 148 Y N 3.381 123.517 120.300 -0.273 0.000 2.314 148 Y HA 0.285 4.835 4.550 0.000 0.000 0.359 148 Y C 1.814 177.790 175.900 0.127 0.000 1.360 148 Y CA 0.237 58.196 58.100 -0.235 0.000 1.697 148 Y CB 0.069 38.250 38.460 -0.465 0.000 1.630 148 Y HN 0.600 nan 8.280 nan 0.000 0.583 149 G N 0.507 109.613 108.800 0.510 0.000 2.491 149 G HA2 -0.325 3.636 3.960 0.000 0.000 0.218 149 G HA3 -0.325 3.636 3.960 0.000 0.000 0.218 149 G C 1.008 176.027 174.900 0.198 0.000 1.180 149 G CA 1.323 46.628 45.100 0.342 0.000 0.774 149 G HN 0.688 nan 8.290 nan 0.000 0.562 150 N N -1.202 117.594 118.700 0.162 0.000 2.313 150 N HA 0.098 4.838 4.740 0.000 0.000 0.207 150 N C 0.625 176.258 175.510 0.206 0.000 1.141 150 N CA -0.385 52.732 53.050 0.112 0.000 0.830 150 N CB -0.279 38.246 38.487 0.063 0.000 1.008 150 N HN 0.313 nan 8.380 nan 0.000 0.481 151 F N -0.782 119.190 119.950 0.036 0.000 2.699 151 F HA -0.261 4.266 4.527 0.000 0.000 0.343 151 F C 0.290 176.112 175.800 0.038 0.000 0.633 151 F CA 0.260 58.279 58.000 0.032 0.000 1.365 151 F CB -1.291 37.708 39.000 -0.002 0.000 1.795 151 F HN 0.093 nan 8.300 nan 0.000 0.304 152 K N 2.068 122.542 120.400 0.124 0.000 2.472 152 K HA 0.283 4.603 4.320 0.000 0.000 0.280 152 K C -0.281 176.290 176.600 -0.049 0.000 1.028 152 K CA 0.939 57.284 56.287 0.096 0.000 1.045 152 K CB 0.483 33.073 32.500 0.151 0.000 0.902 152 K HN 0.173 nan 8.250 nan 0.000 0.478 153 T N 6.019 120.513 114.554 -0.100 0.000 2.807 153 T HA 0.493 4.843 4.350 0.000 0.000 0.279 153 T C -0.643 173.921 174.700 -0.227 0.000 0.993 153 T CA -0.775 61.171 62.100 -0.257 0.000 0.970 153 T CB 0.931 69.653 68.868 -0.243 0.000 0.950 153 T HN 0.518 nan 8.240 nan 0.000 0.441 154 R N 1.550 121.858 120.500 -0.320 0.000 2.561 154 R HA 0.693 5.033 4.340 0.000 0.000 0.297 154 R C -1.365 174.716 176.300 -0.365 0.000 0.969 154 R CA -0.758 55.179 56.100 -0.272 0.000 0.879 154 R CB 2.103 32.283 30.300 -0.201 0.000 1.178 154 R HN 0.366 nan 8.270 nan 0.000 0.445 155 V N 2.549 122.265 119.914 -0.329 0.000 2.409 155 V HA 0.388 4.508 4.120 0.000 0.000 0.291 155 V C -0.338 175.558 176.094 -0.330 0.000 1.020 155 V CA -0.546 61.533 62.300 -0.368 0.000 0.848 155 V CB 1.906 33.524 31.823 -0.342 0.000 0.990 155 V HN 0.759 nan 8.190 nan 0.000 0.430 156 T N 5.192 119.541 114.554 -0.341 0.000 2.792 156 T HA 0.418 4.768 4.350 0.000 0.000 0.280 156 T C -0.048 174.466 174.700 -0.310 0.000 0.990 156 T CA -0.509 61.414 62.100 -0.296 0.000 0.960 156 T CB 1.215 69.932 68.868 -0.253 0.000 0.939 156 T HN 0.679 nan 8.240 nan 0.000 0.439 157 R N 2.607 122.931 120.500 -0.293 0.000 2.442 157 R HA 0.197 4.537 4.340 0.000 0.000 0.291 157 R C 1.095 177.280 176.300 -0.191 0.000 1.069 157 R CA -0.144 55.795 56.100 -0.268 0.000 1.022 157 R CB 0.383 30.559 30.300 -0.208 0.000 0.976 157 R HN 0.616 nan 8.270 nan 0.000 0.443 158 K N 1.493 121.789 120.400 -0.173 0.000 2.057 158 K HA -0.153 4.167 4.320 0.000 0.000 0.206 158 K C 2.049 178.593 176.600 -0.095 0.000 1.050 158 K CA 1.892 58.100 56.287 -0.131 0.000 0.935 158 K CB -0.006 32.423 32.500 -0.118 0.000 0.715 158 K HN 0.759 nan 8.250 nan 0.000 0.439 159 S N 1.987 117.641 115.700 -0.076 0.000 2.359 159 S HA -0.172 4.298 4.470 0.000 0.000 0.224 159 S C 1.524 176.093 174.600 -0.051 0.000 1.035 159 S CA 1.803 59.973 58.200 -0.050 0.000 1.018 159 S CB -0.321 62.863 63.200 -0.027 0.000 0.876 159 S HN 0.387 nan 8.310 nan 0.000 0.448 160 D N -0.703 119.661 120.400 -0.060 0.000 2.441 160 D HA 0.284 4.924 4.640 0.000 0.000 0.210 160 D C 1.373 177.624 176.300 -0.081 0.000 1.102 160 D CA 0.542 54.506 54.000 -0.061 0.000 0.840 160 D CB -0.588 40.183 40.800 -0.049 0.000 0.990 160 D HN 0.715 nan 8.370 nan 0.000 0.505 161 G N 1.043 109.781 108.800 -0.103 0.000 2.160 161 G HA2 -0.337 3.623 3.960 0.000 0.000 0.251 161 G HA3 -0.337 3.623 3.960 0.000 0.000 0.251 161 G C 0.089 174.904 174.900 -0.142 0.000 1.008 161 G CA 0.234 45.262 45.100 -0.120 0.000 0.724 161 G HN 0.531 nan 8.290 nan 0.000 0.514 162 K N 0.664 120.968 120.400 -0.160 0.000 2.297 162 K HA 0.447 4.767 4.320 0.000 0.000 0.286 162 K C 0.724 177.167 176.600 -0.262 0.000 1.053 162 K CA -0.608 55.554 56.287 -0.208 0.000 0.940 162 K CB 0.712 33.080 32.500 -0.221 0.000 1.019 162 K HN 0.011 nan 8.250 nan 0.000 0.475 163 V N 7.698 127.454 119.914 -0.264 0.000 2.403 163 V HA -0.043 4.077 4.120 0.000 0.000 0.265 163 V C 1.335 177.210 176.094 -0.365 0.000 1.034 163 V CA 0.238 62.377 62.300 -0.269 0.000 1.036 163 V CB -0.311 31.393 31.823 -0.198 0.000 1.032 163 V HN 0.755 nan 8.190 nan 0.000 0.478 164 I N 2.152 122.502 120.570 -0.366 0.000 2.852 164 I HA 0.254 4.424 4.170 0.000 0.000 0.264 164 I C 0.735 176.766 176.117 -0.143 0.000 1.179 164 I CA 1.074 62.105 61.300 -0.450 0.000 1.480 164 I CB 0.220 38.063 38.000 -0.262 0.000 1.111 164 I HN 0.515 nan 8.210 nan 0.000 0.441 165 M N 2.436 121.936 119.600 -0.167 0.000 2.322 165 M HA 0.437 4.917 4.480 0.000 0.000 0.286 165 M C -2.045 174.181 176.300 -0.123 0.000 1.111 165 M CA -0.214 55.008 55.300 -0.130 0.000 0.941 165 M CB 2.275 34.533 32.600 -0.570 0.000 1.671 165 M HN 0.475 nan 8.290 nan 0.000 0.470 166 E N 2.671 122.876 120.200 0.007 0.000 2.314 166 E HA 0.559 4.909 4.350 0.000 0.000 0.272 166 E C -1.190 175.395 176.600 -0.025 0.000 0.884 166 E CA -0.981 55.399 56.400 -0.034 0.000 0.753 166 E CB 1.473 31.186 29.700 0.022 0.000 1.213 166 E HN 0.673 nan 8.360 nan 0.000 0.432 167 N N 0.934 119.610 118.700 -0.041 0.000 2.379 167 N HA 0.197 4.937 4.740 0.000 0.000 0.260 167 N C -0.972 174.561 175.510 0.038 0.000 1.254 167 N CA -0.609 52.450 53.050 0.014 0.000 0.958 167 N CB 0.658 39.182 38.487 0.063 0.000 1.208 167 N HN 0.656 nan 8.380 nan 0.000 0.532 168 D N -1.844 118.594 120.400 0.064 0.000 2.193 168 D HA 0.279 4.919 4.640 0.000 0.000 0.249 168 D C -1.158 175.167 176.300 0.042 0.000 1.034 168 D CA -0.378 53.647 54.000 0.042 0.000 0.902 168 D CB 0.903 41.732 40.800 0.049 0.000 1.182 168 D HN 0.495 nan 8.370 nan 0.000 0.436 169 E N 1.456 121.666 120.200 0.017 0.000 2.222 169 E HA 0.451 4.801 4.350 0.000 0.000 0.267 169 E C -1.364 175.231 176.600 -0.007 0.000 0.884 169 E CA -1.158 55.248 56.400 0.010 0.000 0.764 169 E CB 2.500 32.200 29.700 0.000 0.000 1.169 169 E HN 0.248 nan 8.360 nan 0.000 0.413 170 V N 2.638 122.544 119.914 -0.012 0.000 2.483 170 V HA 0.668 4.788 4.120 0.000 0.000 0.295 170 V C 0.194 176.274 176.094 -0.023 0.000 1.035 170 V CA -0.205 62.080 62.300 -0.025 0.000 0.896 170 V CB 1.495 33.293 31.823 -0.041 0.000 0.986 170 V HN 0.745 nan 8.190 nan 0.000 0.447 171 G N 3.887 112.671 108.800 -0.026 0.000 2.562 171 G HA2 0.603 4.563 3.960 0.000 0.000 0.275 171 G HA3 0.603 4.563 3.960 0.000 0.000 0.275 171 G C -0.145 174.739 174.900 -0.026 0.000 1.196 171 G CA 0.283 45.369 45.100 -0.025 0.000 0.908 171 G HN 1.131 nan 8.290 nan 0.000 0.524 172 T N -3.463 111.077 114.554 -0.023 0.000 2.896 172 T HA 0.584 4.934 4.350 0.000 0.000 0.297 172 T C 1.318 176.006 174.700 -0.021 0.000 1.108 172 T CA 0.293 62.379 62.100 -0.023 0.000 1.004 172 T CB 1.635 70.491 68.868 -0.021 0.000 1.159 172 T HN 1.041 nan 8.240 nan 0.000 0.499 173 A N 1.744 124.551 122.820 -0.021 0.000 1.927 173 A HA -0.042 4.278 4.320 0.000 0.000 0.220 173 A C 2.128 179.702 177.584 -0.016 0.000 1.185 173 A CA 2.719 54.744 52.037 -0.019 0.000 0.639 173 A CB -1.100 17.889 19.000 -0.019 0.000 0.820 173 A HN 1.649 nan 8.150 nan 0.000 0.451 174 S N -4.554 111.137 115.700 -0.015 0.000 2.560 174 S HA 0.163 4.633 4.470 0.000 0.000 0.281 174 S C 0.813 175.407 174.600 -0.011 0.000 1.075 174 S CA 0.530 58.723 58.200 -0.012 0.000 1.295 174 S CB 0.033 63.226 63.200 -0.011 0.000 1.156 174 S HN 0.274 nan 8.310 nan 0.000 0.627 175 S N 1.994 117.688 115.700 -0.011 0.000 2.574 175 S HA 0.670 5.140 4.470 0.000 0.000 0.242 175 S C 0.841 175.437 174.600 -0.006 0.000 0.982 175 S CA 0.034 58.230 58.200 -0.007 0.000 0.977 175 S CB 0.173 63.370 63.200 -0.004 0.000 0.814 175 S HN 1.288 nan 8.310 nan 0.000 0.464 176 G N 2.130 110.924 108.800 -0.010 0.000 2.796 176 G HA2 -0.209 3.751 3.960 0.000 0.000 0.571 176 G HA3 -0.209 3.751 3.960 0.000 0.000 0.571 176 G C -0.762 174.130 174.900 -0.012 0.000 1.370 176 G CA -1.045 44.048 45.100 -0.012 0.000 0.856 176 G HN 0.453 nan 8.290 nan 0.000 0.538 177 N N 0.772 119.463 118.700 -0.015 0.000 2.518 177 N HA 0.417 5.157 4.740 0.000 0.000 0.266 177 N C -0.161 175.347 175.510 -0.003 0.000 1.196 177 N CA -0.087 52.955 53.050 -0.014 0.000 0.947 177 N CB 0.450 38.923 38.487 -0.023 0.000 1.098 177 N HN 0.367 nan 8.380 nan 0.000 0.450 178 K N 1.712 122.112 120.400 0.000 0.000 2.345 178 K HA 0.263 4.583 4.320 0.000 0.000 0.255 178 K C -1.085 175.531 176.600 0.025 0.000 0.934 178 K CA -0.532 55.762 56.287 0.012 0.000 0.801 178 K CB 1.863 34.369 32.500 0.011 0.000 1.137 178 K HN 0.484 nan 8.250 nan 0.000 0.424 179 C N 3.856 123.183 119.300 0.046 0.000 2.373 179 C HA 0.261 4.721 4.460 0.000 0.000 0.354 179 C C 1.200 176.247 174.990 0.095 0.000 1.249 179 C CA -0.423 58.643 59.018 0.080 0.000 1.784 179 C CB -0.742 27.075 27.740 0.130 0.000 2.408 179 C HN 0.704 nan 8.230 nan 0.000 0.542 180 R N 3.553 124.108 120.500 0.091 0.000 2.363 180 R HA 0.104 4.444 4.340 0.000 0.000 0.236 180 R C 1.779 178.192 176.300 0.188 0.000 0.966 180 R CA 0.436 56.595 56.100 0.099 0.000 1.100 180 R CB 0.022 30.338 30.300 0.027 0.000 1.125 180 R HN 0.956 nan 8.270 nan 0.000 0.514 181 G N 0.346 109.279 108.800 0.222 0.000 2.712 181 G HA2 0.022 3.982 3.960 0.000 0.000 0.212 181 G HA3 0.022 3.982 3.960 0.000 0.000 0.212 181 G C 0.534 175.618 174.900 0.307 0.000 1.142 181 G CA 0.124 45.419 45.100 0.326 0.000 0.789 181 G HN 0.125 nan 8.290 nan 0.000 0.535 182 L N 0.929 122.252 121.223 0.166 0.000 2.485 182 L HA 0.531 4.871 4.340 0.000 0.000 0.260 182 L C -0.749 176.304 176.870 0.305 0.000 0.998 182 L CA -0.227 54.647 54.840 0.057 0.000 0.883 182 L CB 1.649 43.603 42.059 -0.175 0.000 1.196 182 L HN -0.001 nan 8.230 nan 0.000 0.443 183 M N 3.799 123.637 119.600 0.397 0.000 2.464 183 M HA 0.656 5.136 4.480 0.000 0.000 0.308 183 M C -1.060 175.625 176.300 0.642 0.000 1.127 183 M CA -0.618 54.956 55.300 0.456 0.000 0.913 183 M CB 2.468 35.309 32.600 0.401 0.000 1.689 183 M HN 0.355 nan 8.290 nan 0.000 0.445 184 F N -0.617 119.594 119.950 0.436 0.000 2.626 184 F HA 0.807 5.334 4.527 0.000 0.000 0.311 184 F C -1.099 174.674 175.800 -0.046 0.000 1.088 184 F CA -1.421 56.697 58.000 0.196 0.000 0.949 184 F CB 0.529 39.553 39.000 0.040 0.000 1.322 184 F HN 0.183 nan 8.300 nan 0.000 0.461 185 V N 1.959 121.639 119.914 -0.390 0.000 2.572 185 V HA 0.052 4.172 4.120 0.000 0.000 0.291 185 V C 0.260 176.345 176.094 -0.016 0.000 1.039 185 V CA -0.207 61.709 62.300 -0.639 0.000 1.055 185 V CB 0.562 31.903 31.823 -0.803 0.000 0.969 185 V HN 0.826 nan 8.190 nan 0.000 0.482 186 D N 3.656 124.101 120.400 0.075 0.000 2.648 186 D HA -0.092 4.548 4.640 0.000 0.000 0.229 186 D C 0.967 177.406 176.300 0.232 0.000 1.119 186 D CA 0.093 54.328 54.000 0.391 0.000 0.850 186 D CB 0.573 41.551 40.800 0.297 0.000 1.169 186 D HN 0.352 nan 8.370 nan 0.000 0.489 187 R N 3.041 123.675 120.500 0.223 0.000 2.346 187 R HA 0.131 4.472 4.340 0.000 0.000 0.208 187 R C 1.137 177.425 176.300 -0.020 0.000 1.052 187 R CA 0.170 56.300 56.100 0.051 0.000 1.116 187 R CB -0.317 29.987 30.300 0.006 0.000 1.003 187 R HN 0.499 nan 8.270 nan 0.000 0.482 188 L N -1.979 119.215 121.223 -0.048 0.000 2.463 188 L HA 0.084 4.424 4.340 0.000 0.000 0.219 188 L C 0.744 177.374 176.870 -0.399 0.000 1.088 188 L CA 0.599 55.285 54.840 -0.256 0.000 0.849 188 L CB 0.115 41.943 42.059 -0.385 0.000 1.012 188 L HN 0.208 nan 8.230 nan 0.000 0.468 189 Y N -0.974 119.286 120.300 -0.066 0.000 2.558 189 Y HA 0.446 4.996 4.550 0.000 0.000 0.273 189 Y C 1.218 177.038 175.900 -0.134 0.000 1.100 189 Y CA 0.169 58.210 58.100 -0.098 0.000 1.276 189 Y CB 0.600 38.980 38.460 -0.134 0.000 1.196 189 Y HN -0.001 nan 8.280 nan 0.000 0.527 190 G N -0.558 108.225 108.800 -0.029 0.000 2.561 190 G HA2 0.265 4.225 3.960 0.000 0.000 0.310 190 G HA3 0.265 4.225 3.960 0.000 0.000 0.310 190 G C -0.926 173.848 174.900 -0.210 0.000 1.292 190 G CA -0.622 44.388 45.100 -0.150 0.000 0.811 190 G HN 0.032 nan 8.290 nan 0.000 0.482 191 N N -0.545 117.956 118.700 -0.331 0.000 2.113 191 N HA 0.431 5.172 4.740 0.000 0.000 0.223 191 N C 0.572 175.902 175.510 -0.300 0.000 1.310 191 N CA 0.266 53.099 53.050 -0.362 0.000 0.896 191 N CB 1.507 39.618 38.487 -0.626 0.000 1.097 191 N HN 0.766 nan 8.380 nan 0.000 0.507 192 A N 1.355 124.006 122.820 -0.281 0.000 2.483 192 A HA 0.451 4.771 4.320 0.000 0.000 0.238 192 A C 0.355 178.003 177.584 0.107 0.000 1.070 192 A CA -0.195 51.816 52.037 -0.043 0.000 0.770 192 A CB -0.303 18.772 19.000 0.126 0.000 1.008 192 A HN 0.406 nan 8.150 nan 0.000 0.497 193 I N -1.507 119.276 120.570 0.355 0.000 2.863 193 I HA 0.950 5.120 4.170 0.000 0.000 0.311 193 I C -0.092 176.461 176.117 0.727 0.000 1.026 193 I CA -0.856 60.772 61.300 0.546 0.000 1.077 193 I CB 2.330 40.591 38.000 0.434 0.000 1.262 193 I HN 0.871 nan 8.210 nan 0.000 0.461 194 A N 2.325 125.588 122.820 0.739 0.000 2.608 194 A HA 0.781 5.101 4.320 0.000 0.000 0.292 194 A C -1.151 176.803 177.584 0.616 0.000 1.066 194 A CA -0.502 51.873 52.037 0.562 0.000 0.676 194 A CB 1.577 20.670 19.000 0.154 0.000 1.277 194 A HN 0.809 nan 8.150 nan 0.000 0.413 195 S N -0.185 115.874 115.700 0.598 0.000 2.572 195 S HA 0.669 5.139 4.470 0.000 0.000 0.274 195 S C -1.589 173.397 174.600 0.643 0.000 1.150 195 S CA -0.331 58.279 58.200 0.685 0.000 0.944 195 S CB 1.419 65.194 63.200 0.959 0.000 1.071 195 S HN 1.377 nan 8.310 nan 0.000 0.479 196 V N 5.161 125.356 119.914 0.469 0.000 2.531 196 V HA 0.596 4.716 4.120 0.000 0.000 0.301 196 V C -0.603 175.665 176.094 0.289 0.000 1.034 196 V CA -1.000 61.538 62.300 0.398 0.000 0.865 196 V CB 1.852 33.807 31.823 0.221 0.000 0.995 196 V HN 0.825 nan 8.190 nan 0.000 0.424 197 N N 2.372 121.243 118.700 0.287 0.000 2.443 197 N HA 0.455 5.195 4.740 0.000 0.000 0.293 197 N C -0.403 175.163 175.510 0.095 0.000 1.159 197 N CA -0.809 52.320 53.050 0.133 0.000 0.904 197 N CB 1.578 40.109 38.487 0.073 0.000 1.214 197 N HN 0.542 nan 8.380 nan 0.000 0.513 198 K N 0.899 121.290 120.400 -0.014 0.000 2.412 198 K HA 0.053 4.373 4.320 0.000 0.000 0.281 198 K C -0.204 176.260 176.600 -0.226 0.000 1.027 198 K CA 0.022 56.185 56.287 -0.207 0.000 0.989 198 K CB 0.227 32.494 32.500 -0.389 0.000 0.935 198 K HN 0.385 nan 8.250 nan 0.000 0.475 199 N N 3.226 121.799 118.700 -0.211 0.000 2.446 199 N HA 0.148 4.889 4.740 0.000 0.000 0.265 199 N C -1.047 174.392 175.510 -0.118 0.000 0.975 199 N CA -0.531 52.533 53.050 0.025 0.000 0.928 199 N CB 0.442 39.002 38.487 0.122 0.000 1.160 199 N HN 0.320 nan 8.380 nan 0.000 0.495 200 F N 2.869 122.963 119.950 0.240 0.000 2.798 200 F HA 0.262 4.789 4.527 0.000 0.000 0.291 200 F C 1.955 177.848 175.800 0.155 0.000 1.174 200 F CA -0.459 57.641 58.000 0.167 0.000 1.392 200 F CB 0.075 39.172 39.000 0.162 0.000 0.966 200 F HN 0.544 nan 8.300 nan 0.000 0.509 201 R N -0.437 120.238 120.500 0.291 0.000 2.081 201 R HA -0.142 4.198 4.340 0.000 0.000 0.235 201 R C 1.109 177.496 176.300 0.145 0.000 1.131 201 R CA 1.732 57.966 56.100 0.223 0.000 0.960 201 R CB -0.465 29.952 30.300 0.196 0.000 0.856 201 R HN 0.127 nan 8.270 nan 0.000 0.436 202 N N 1.084 119.860 118.700 0.126 0.000 2.463 202 N HA -0.055 4.685 4.740 0.000 0.000 0.181 202 N C -0.322 175.252 175.510 0.107 0.000 1.078 202 N CA 0.396 53.500 53.050 0.089 0.000 0.902 202 N CB -0.223 38.300 38.487 0.061 0.000 0.970 202 N HN 0.328 nan 8.380 nan 0.000 0.451 203 D N 0.731 121.231 120.400 0.167 0.000 2.472 203 D HA 0.008 4.648 4.640 0.000 0.000 0.248 203 D C 0.902 177.262 176.300 0.100 0.000 1.174 203 D CA -0.052 54.045 54.000 0.162 0.000 0.883 203 D CB 1.095 42.044 40.800 0.247 0.000 1.149 203 D HN 0.144 nan 8.370 nan 0.000 0.488 204 A N 3.730 126.591 122.820 0.069 0.000 2.019 204 A HA -0.121 4.199 4.320 0.000 0.000 0.219 204 A C 2.118 179.725 177.584 0.037 0.000 1.164 204 A CA 1.037 53.101 52.037 0.045 0.000 0.644 204 A CB -0.029 18.992 19.000 0.034 0.000 0.805 204 A HN 0.535 nan 8.150 nan 0.000 0.449 205 V N -0.608 119.328 119.914 0.038 0.000 2.374 205 V HA -0.125 3.995 4.120 0.000 0.000 0.241 205 V C 2.354 178.471 176.094 0.040 0.000 1.034 205 V CA 1.985 64.301 62.300 0.027 0.000 1.037 205 V CB -0.516 31.313 31.823 0.010 0.000 0.682 205 V HN 0.484 nan 8.190 nan 0.000 0.463 206 K N -0.332 120.103 120.400 0.057 0.000 2.057 206 K HA -0.076 4.244 4.320 0.000 0.000 0.206 206 K C 0.582 177.223 176.600 0.069 0.000 1.050 206 K CA 0.616 56.960 56.287 0.095 0.000 0.935 206 K CB -0.138 32.438 32.500 0.127 0.000 0.715 206 K HN 0.407 nan 8.250 nan 0.000 0.439 207 Q N 1.399 121.246 119.800 0.079 0.000 2.431 207 Q HA -0.202 4.138 4.340 0.000 0.000 0.344 207 Q C -1.132 174.895 176.000 0.045 0.000 1.384 207 Q CA 0.340 56.179 55.803 0.060 0.000 0.984 207 Q CB -1.372 27.382 28.738 0.026 0.000 1.204 207 Q HN 0.363 nan 8.270 nan 0.000 0.392 208 E N -0.518 119.735 120.200 0.088 0.000 2.437 208 E HA 0.201 4.551 4.350 0.000 0.000 0.263 208 E C 0.644 177.246 176.600 0.004 0.000 1.030 208 E CA 0.719 57.123 56.400 0.007 0.000 0.934 208 E CB 0.577 30.315 29.700 0.065 0.000 0.943 208 E HN 0.435 nan 8.360 nan 0.000 0.444 209 G N 1.624 110.357 108.800 -0.111 0.000 2.563 209 G HA2 0.583 4.543 3.960 0.000 0.000 0.302 209 G HA3 0.583 4.543 3.960 0.000 0.000 0.302 209 G C -1.450 173.292 174.900 -0.264 0.000 1.301 209 G CA -0.670 44.376 45.100 -0.091 0.000 0.965 209 G HN 0.329 nan 8.290 nan 0.000 0.480 210 F N 0.370 120.135 119.950 -0.308 0.000 2.493 210 F HA 0.551 5.078 4.527 0.000 0.000 0.329 210 F C -0.689 174.901 175.800 -0.350 0.000 1.126 210 F CA -0.645 57.227 58.000 -0.214 0.000 0.937 210 F CB 2.235 41.143 39.000 -0.153 0.000 1.146 210 F HN 0.316 nan 8.300 nan 0.000 0.442 211 Y N 0.807 121.097 120.300 -0.017 0.000 2.536 211 Y HA 0.766 5.316 4.550 0.000 0.000 0.347 211 Y C 0.701 176.576 175.900 -0.042 0.000 1.000 211 Y CA -0.361 57.725 58.100 -0.024 0.000 1.051 211 Y CB 2.240 40.672 38.460 -0.048 0.000 1.259 211 Y HN 0.788 nan 8.280 nan 0.000 0.468 212 G N 0.766 109.679 108.800 0.187 0.000 2.433 212 G HA2 0.156 4.116 3.960 0.000 0.000 0.211 212 G HA3 0.156 4.116 3.960 0.000 0.000 0.211 212 G C 0.269 175.275 174.900 0.176 0.000 1.214 212 G CA -0.156 45.061 45.100 0.195 0.000 1.271 212 G HN 1.717 nan 8.290 nan 0.000 0.503 213 A N 0.152 123.082 122.820 0.183 0.000 2.704 213 A HA 0.297 4.617 4.320 0.000 0.000 0.299 213 A C 2.509 180.198 177.584 0.175 0.000 1.507 213 A CA 1.790 53.921 52.037 0.158 0.000 0.776 213 A CB -1.674 17.374 19.000 0.080 0.000 1.027 213 A HN 3.011 nan 8.150 nan 0.000 0.475 214 G N -0.768 108.171 108.800 0.232 0.000 2.704 214 G HA2 -0.434 3.526 3.960 0.000 0.000 0.344 214 G HA3 -0.434 3.526 3.960 0.000 0.000 0.344 214 G C 0.751 175.726 174.900 0.125 0.000 1.200 214 G CA 1.152 46.383 45.100 0.218 0.000 0.962 214 G HN 1.086 nan 8.290 nan 0.000 0.552 215 E N 0.045 120.314 120.200 0.115 0.000 2.481 215 E HA 0.332 4.682 4.350 0.000 0.000 0.198 215 E C 0.737 177.339 176.600 0.003 0.000 1.027 215 E CA -0.109 56.312 56.400 0.034 0.000 0.900 215 E CB 0.554 30.272 29.700 0.030 0.000 0.993 215 E HN 0.294 nan 8.360 nan 0.000 0.482 216 V N 3.527 123.470 119.914 0.048 0.000 2.644 216 V HA -0.112 4.008 4.120 0.000 0.000 0.305 216 V C 0.297 176.432 176.094 0.069 0.000 1.053 216 V CA 0.403 62.735 62.300 0.053 0.000 1.186 216 V CB 0.062 31.936 31.823 0.085 0.000 0.895 216 V HN 0.233 nan 8.190 nan 0.000 0.490 217 N N 3.235 121.985 118.700 0.083 0.000 2.430 217 N HA 0.454 5.194 4.740 0.000 0.000 0.292 217 N C -0.751 174.913 175.510 0.258 0.000 1.051 217 N CA -0.290 52.870 53.050 0.183 0.000 0.917 217 N CB 1.842 40.436 38.487 0.177 0.000 1.164 217 N HN 0.731 nan 8.380 nan 0.000 0.484 218 C N 2.080 121.559 119.300 0.298 0.000 2.535 218 C HA 0.431 4.891 4.460 0.000 0.000 0.319 218 C C -0.348 174.696 174.990 0.090 0.000 1.171 218 C CA -0.820 58.337 59.018 0.231 0.000 1.394 218 C CB 0.545 28.401 27.740 0.193 0.000 1.990 218 C HN 0.730 nan 8.230 nan 0.000 0.466 219 K N 3.711 124.037 120.400 -0.124 0.000 2.138 219 K HA 0.540 4.860 4.320 0.000 0.000 0.263 219 K C -1.845 174.729 176.600 -0.045 0.000 0.965 219 K CA -0.414 55.593 56.287 -0.466 0.000 0.868 219 K CB 1.300 33.302 32.500 -0.831 0.000 1.083 219 K HN 0.769 nan 8.250 nan 0.000 0.443 220 Y N 5.064 125.280 120.300 -0.139 0.000 2.338 220 Y HA 0.065 4.615 4.550 0.000 0.000 0.333 220 Y C 0.584 176.474 175.900 -0.015 0.000 0.968 220 Y CA -0.204 57.873 58.100 -0.037 0.000 1.123 220 Y CB 0.919 39.375 38.460 -0.006 0.000 1.165 220 Y HN 0.982 nan 8.280 nan 0.000 0.452 221 Q N 1.942 121.432 119.800 -0.517 0.000 2.534 221 Q HA -0.397 3.943 4.340 0.000 0.000 0.448 221 Q C -0.191 175.735 176.000 -0.123 0.000 0.528 221 Q CA 2.549 58.146 55.803 -0.344 0.000 1.003 221 Q CB -1.068 27.403 28.738 -0.445 0.000 1.969 221 Q HN 0.677 nan 8.270 nan 0.000 1.037 222 D N 0.804 121.188 120.400 -0.026 0.000 2.392 222 D HA 0.185 4.825 4.640 0.000 0.000 0.206 222 D C 0.121 176.609 176.300 0.312 0.000 1.046 222 D CA 1.057 55.142 54.000 0.142 0.000 0.865 222 D CB 0.486 41.367 40.800 0.135 0.000 0.969 222 D HN 0.410 nan 8.370 nan 0.000 0.509 223 T N -0.153 114.544 114.554 0.239 0.000 2.925 223 T HA 0.367 4.717 4.350 0.000 0.000 0.285 223 T C -0.336 174.400 174.700 0.060 0.000 1.021 223 T CA -0.552 61.702 62.100 0.257 0.000 1.042 223 T CB 1.343 70.400 68.868 0.315 0.000 1.037 223 T HN -0.174 nan 8.240 nan 0.000 0.481 224 Y N 1.638 121.978 120.300 0.067 0.000 2.308 224 Y HA 0.534 5.084 4.550 0.000 0.000 0.329 224 Y C 0.733 176.684 175.900 0.084 0.000 1.111 224 Y CA -1.047 57.094 58.100 0.069 0.000 1.179 224 Y CB 0.423 38.890 38.460 0.012 0.000 1.201 224 Y HN 0.510 nan 8.280 nan 0.000 0.483 225 I N 0.174 120.857 120.570 0.189 0.000 2.982 225 I HA 0.428 4.598 4.170 0.000 0.000 0.312 225 I C 0.177 176.368 176.117 0.123 0.000 1.041 225 I CA -0.995 60.388 61.300 0.138 0.000 1.053 225 I CB 1.406 39.457 38.000 0.085 0.000 1.248 225 I HN 0.534 nan 8.210 nan 0.000 0.471 226 L N 1.227 122.511 121.223 0.102 0.000 2.084 226 L HA 0.287 4.627 4.340 0.000 0.000 0.202 226 L C 1.251 178.155 176.870 0.056 0.000 1.074 226 L CA 1.316 56.223 54.840 0.112 0.000 0.757 226 L CB -0.312 41.843 42.059 0.161 0.000 0.918 226 L HN 0.791 nan 8.230 nan 0.000 0.444 227 E N 0.088 120.260 120.200 -0.045 0.000 2.422 227 E HA 0.016 4.366 4.350 0.000 0.000 0.260 227 E C -0.342 176.144 176.600 -0.190 0.000 1.108 227 E CA -0.164 56.065 56.400 -0.285 0.000 0.943 227 E CB 0.429 29.901 29.700 -0.380 0.000 0.961 227 E HN 0.141 nan 8.360 nan 0.000 0.443 228 R N 2.425 122.783 120.500 -0.236 0.000 2.782 228 R HA 0.214 4.554 4.340 0.000 0.000 0.293 228 R C -1.106 175.103 176.300 -0.151 0.000 1.333 228 R CA -0.236 55.783 56.100 -0.135 0.000 1.479 228 R CB 0.868 31.130 30.300 -0.063 0.000 1.306 228 R HN 0.349 nan 8.270 nan 0.000 0.654 229 T N -0.629 113.825 114.554 -0.168 0.000 2.794 229 T HA 0.443 4.793 4.350 0.000 0.000 0.280 229 T C 0.858 175.427 174.700 -0.219 0.000 0.987 229 T CA 0.062 62.077 62.100 -0.143 0.000 0.993 229 T CB 1.804 70.647 68.868 -0.040 0.000 0.939 229 T HN 0.595 nan 8.240 nan 0.000 0.449 230 G N 2.823 111.451 108.800 -0.287 0.000 2.225 230 G HA2 -0.183 3.777 3.960 0.000 0.000 0.264 230 G HA3 -0.183 3.777 3.960 0.000 0.000 0.264 230 G C -0.065 174.635 174.900 -0.333 0.000 1.060 230 G CA 0.348 45.292 45.100 -0.261 0.000 0.833 230 G HN 1.021 nan 8.290 nan 0.000 0.498 231 I N -3.684 116.649 120.570 -0.395 0.000 2.802 231 I HA 0.857 5.027 4.170 0.000 0.000 0.298 231 I C 0.046 176.016 176.117 -0.245 0.000 1.176 231 I CA -1.344 59.628 61.300 -0.547 0.000 1.025 231 I CB 2.192 39.684 38.000 -0.847 0.000 1.243 231 I HN 0.495 nan 8.210 nan 0.000 0.424 232 A N 6.642 129.491 122.820 0.048 0.000 2.316 232 A HA 0.786 5.106 4.320 0.000 0.000 0.311 232 A C -0.285 177.520 177.584 0.368 0.000 1.339 232 A CA -0.334 51.860 52.037 0.261 0.000 0.960 232 A CB 0.049 19.333 19.000 0.473 0.000 1.152 232 A HN 0.782 nan 8.150 nan 0.000 0.547 233 M N 1.198 120.897 119.600 0.166 0.000 2.705 233 M HA 0.609 5.089 4.480 0.000 0.000 0.311 233 M C 0.050 176.389 176.300 0.064 0.000 1.214 233 M CA -0.338 55.048 55.300 0.143 0.000 0.920 233 M CB 2.526 35.171 32.600 0.074 0.000 1.687 233 M HN 0.575 nan 8.290 nan 0.000 0.481 234 T N 0.567 115.121 114.554 0.000 0.000 2.956 234 T HA 0.433 4.783 4.350 0.000 0.000 0.312 234 T C -1.627 172.999 174.700 -0.123 0.000 1.151 234 T CA -0.918 61.081 62.100 -0.169 0.000 1.024 234 T CB 0.964 69.681 68.868 -0.252 0.000 1.140 234 T HN 0.657 nan 8.240 nan 0.000 0.473 235 N N 3.516 122.103 118.700 -0.188 0.000 2.457 235 N HA 0.362 5.102 4.740 0.000 0.000 0.250 235 N C -1.582 173.925 175.510 -0.005 0.000 0.982 235 N CA -0.217 52.794 53.050 -0.066 0.000 0.941 235 N CB 1.149 39.610 38.487 -0.045 0.000 1.120 235 N HN 0.669 nan 8.380 nan 0.000 0.505 236 Y N 2.222 122.451 120.300 -0.119 0.000 2.632 236 Y HA 0.152 4.702 4.550 0.000 0.000 0.291 236 Y C -0.912 174.965 175.900 -0.038 0.000 1.098 236 Y CA -0.846 57.194 58.100 -0.099 0.000 1.271 236 Y CB -0.143 38.250 38.460 -0.111 0.000 1.120 236 Y HN 0.294 nan 8.280 nan 0.000 0.574 237 N N 2.915 121.538 118.700 -0.128 0.000 2.132 237 N HA -0.089 4.651 4.740 0.000 0.000 0.280 237 N C -1.202 174.229 175.510 -0.131 0.000 1.318 237 N CA 1.232 54.222 53.050 -0.099 0.000 0.822 237 N CB -0.083 38.358 38.487 -0.077 0.000 1.058 237 N HN 0.576 nan 8.380 nan 0.000 0.489 238 Y N 0.097 120.235 120.300 -0.269 0.000 2.553 238 Y HA 0.144 4.694 4.550 0.000 0.000 0.347 238 Y C -0.082 175.626 175.900 -0.320 0.000 1.019 238 Y CA -1.188 56.756 58.100 -0.260 0.000 1.032 238 Y CB 1.497 39.838 38.460 -0.199 0.000 1.284 238 Y HN 0.357 nan 8.280 nan 0.000 0.466 239 D N 2.665 122.872 120.400 -0.322 0.000 2.736 239 D HA -0.054 4.586 4.640 0.000 0.000 0.228 239 D C -0.352 175.972 176.300 0.041 0.000 1.077 239 D CA 0.422 54.357 54.000 -0.107 0.000 1.096 239 D CB -0.758 39.961 40.800 -0.135 0.000 1.138 239 D HN 0.395 nan 8.370 nan 0.000 0.461 240 N N 2.333 120.911 118.700 -0.203 0.000 3.331 240 N HA 0.052 4.792 4.740 0.000 0.000 0.303 240 N C -0.233 175.417 175.510 0.233 0.000 1.326 240 N CA -0.430 52.623 53.050 0.006 0.000 1.207 240 N CB -0.374 38.023 38.487 -0.151 0.000 1.477 240 N HN 0.396 nan 8.380 nan 0.000 0.541 241 L N 1.678 123.083 121.223 0.304 0.000 2.559 241 L HA -0.020 4.320 4.340 0.000 0.000 0.282 241 L C 0.549 177.592 176.870 0.288 0.000 1.232 241 L CA 0.670 55.715 54.840 0.341 0.000 0.885 241 L CB -0.003 42.227 42.059 0.285 0.000 1.131 241 L HN 0.703 nan 8.230 nan 0.000 0.498 242 N N 2.640 121.453 118.700 0.188 0.000 2.815 242 N HA -0.302 4.438 4.740 0.000 0.000 0.247 242 N C -0.485 175.157 175.510 0.221 0.000 1.030 242 N CA 0.783 53.863 53.050 0.049 0.000 0.881 242 N CB -0.716 37.864 38.487 0.154 0.000 1.134 242 N HN 0.799 nan 8.380 nan 0.000 0.582 243 Y N -2.889 117.594 120.300 0.304 0.000 4.916 243 Y HA -0.271 4.279 4.550 0.000 0.000 0.247 243 Y C 0.610 176.606 175.900 0.161 0.000 0.962 243 Y CA 1.277 59.514 58.100 0.228 0.000 1.933 243 Y CB -2.610 36.006 38.460 0.259 0.000 1.451 243 Y HN 0.662 nan 8.280 nan 0.000 0.539 244 N N -1.177 117.714 118.700 0.317 0.000 2.622 244 N HA 0.123 4.864 4.740 0.000 0.000 0.304 244 N C -0.602 175.060 175.510 0.253 0.000 1.844 244 N CA -0.311 52.886 53.050 0.244 0.000 0.886 244 N CB 0.301 38.941 38.487 0.254 0.000 1.366 244 N HN 0.073 nan 8.380 nan 0.000 0.491 245 Q N 0.359 120.299 119.800 0.233 0.000 2.274 245 Q HA -0.068 4.272 4.340 0.000 0.000 0.280 245 Q C 0.772 176.940 176.000 0.280 0.000 1.047 245 Q CA -0.072 55.895 55.803 0.273 0.000 0.907 245 Q CB 1.027 29.939 28.738 0.290 0.000 1.171 245 Q HN 0.570 nan 8.270 nan 0.000 0.381 246 W N 4.434 125.807 121.300 0.122 0.000 2.308 246 W HA -0.225 4.435 4.660 0.000 0.000 0.301 246 W C 0.709 177.278 176.519 0.084 0.000 1.220 246 W CA 1.888 59.288 57.345 0.093 0.000 1.240 246 W CB 0.284 29.801 29.460 0.095 0.000 1.142 246 W HN 0.704 nan 8.180 nan 0.000 0.521 247 D N 0.313 120.802 120.400 0.148 0.000 2.378 247 D HA -0.126 4.514 4.640 0.000 0.000 0.227 247 D C 1.463 177.819 176.300 0.093 0.000 1.012 247 D CA 0.705 54.738 54.000 0.055 0.000 0.905 247 D CB -0.954 39.958 40.800 0.186 0.000 0.895 247 D HN 0.294 nan 8.370 nan 0.000 0.532 248 L N 0.141 121.368 121.223 0.006 0.000 2.808 248 L HA 0.204 4.544 4.340 0.000 0.000 0.246 248 L C 1.063 178.006 176.870 0.121 0.000 1.153 248 L CA -0.661 54.208 54.840 0.048 0.000 0.956 248 L CB 0.029 42.007 42.059 -0.135 0.000 1.270 248 L HN -0.064 nan 8.230 nan 0.000 0.528 249 R N 0.888 121.288 120.500 -0.166 0.000 2.738 249 R HA 0.310 4.650 4.340 0.000 0.000 0.268 249 R C -2.556 173.419 176.300 -0.541 0.000 1.062 249 R CA -1.478 54.396 56.100 -0.377 0.000 1.158 249 R CB -0.631 29.179 30.300 -0.817 0.000 1.046 249 R HN -0.188 nan 8.270 nan 0.000 0.493 250 P HA 0.179 nan 4.420 nan 0.000 0.272 250 P C -2.451 174.307 177.300 -0.902 0.000 1.223 250 P CA -1.463 60.806 63.100 -1.386 0.000 0.784 250 P CB -0.024 31.166 31.700 -0.849 0.000 0.923 251 P HA -0.078 nan 4.420 nan 0.000 0.261 251 P C -0.360 176.728 177.300 -0.353 0.000 1.173 251 P CA 0.811 63.506 63.100 -0.675 0.000 0.760 251 P CB -0.510 30.845 31.700 -0.574 0.000 0.783 252 H N -1.650 117.317 119.070 -0.172 0.000 2.776 252 H HA -0.258 4.299 4.556 0.000 0.000 0.300 252 H C 0.327 175.630 175.328 -0.042 0.000 1.161 252 H CA 0.423 56.426 56.048 -0.075 0.000 1.147 252 H CB -2.549 27.182 29.762 -0.052 0.000 1.366 252 H HN 0.616 nan 8.280 nan 0.000 0.397 253 H N 1.459 120.461 119.070 -0.113 0.000 2.964 253 H HA 0.147 4.703 4.556 0.000 0.000 0.328 253 H C 0.079 175.459 175.328 0.086 0.000 1.030 253 H CA 0.417 56.431 56.048 -0.056 0.000 1.445 253 H CB 0.603 30.256 29.762 -0.183 0.000 1.449 253 H HN 0.305 nan 8.280 nan 0.000 0.581 254 D N 3.149 123.463 120.400 -0.144 0.000 2.433 254 D HA 0.439 5.079 4.640 0.000 0.000 0.236 254 D C 0.499 176.853 176.300 0.092 0.000 1.026 254 D CA 0.530 54.590 54.000 0.100 0.000 0.884 254 D CB 1.899 42.731 40.800 0.055 0.000 1.384 254 D HN 0.964 nan 8.370 nan 0.000 0.477 255 G N 0.346 109.295 108.800 0.250 0.000 2.741 255 G HA2 0.156 4.116 3.960 0.000 0.000 0.222 255 G HA3 0.156 4.116 3.960 0.000 0.000 0.222 255 G C 0.045 175.203 174.900 0.431 0.000 1.364 255 G CA -0.359 44.881 45.100 0.234 0.000 0.866 255 G HN 0.772 nan 8.290 nan 0.000 0.555 256 A N -0.946 122.074 122.820 0.333 0.000 2.507 256 A HA 0.515 4.835 4.320 0.000 0.000 0.235 256 A C 0.409 178.340 177.584 0.578 0.000 1.070 256 A CA 1.029 53.292 52.037 0.378 0.000 0.768 256 A CB 0.712 19.863 19.000 0.252 0.000 1.011 256 A HN 2.175 nan 8.150 nan 0.000 0.502 257 L N 2.563 124.082 121.223 0.493 0.000 2.276 257 L HA 0.373 4.713 4.340 0.000 0.000 0.286 257 L C -0.528 176.495 176.870 0.255 0.000 1.024 257 L CA -0.366 54.630 54.840 0.259 0.000 0.826 257 L CB 0.718 42.845 42.059 0.115 0.000 1.211 257 L HN 0.655 nan 8.230 nan 0.000 0.422 258 N N 5.777 124.625 118.700 0.246 0.000 2.529 258 N HA 0.347 5.087 4.740 0.000 0.000 0.278 258 N C -2.507 173.118 175.510 0.190 0.000 1.146 258 N CA -1.561 51.634 53.050 0.241 0.000 0.980 258 N CB 0.806 39.447 38.487 0.256 0.000 1.124 258 N HN 0.406 nan 8.380 nan 0.000 0.458 259 P HA 0.093 nan 4.420 nan 0.000 0.264 259 P C -0.481 176.964 177.300 0.241 0.000 1.193 259 P CA 0.687 63.914 63.100 0.212 0.000 0.763 259 P CB 0.584 32.403 31.700 0.199 0.000 0.810 260 D N 0.847 121.236 120.400 -0.018 0.000 2.738 260 D HA 0.035 4.675 4.640 0.000 0.000 0.308 260 D C 0.457 176.569 176.300 -0.314 0.000 1.311 260 D CA -0.435 53.461 54.000 -0.174 0.000 0.799 260 D CB 0.293 40.832 40.800 -0.435 0.000 1.332 260 D HN 0.272 nan 8.370 nan 0.000 0.441 261 Y N 0.328 120.531 120.300 -0.162 0.000 2.403 261 Y HA -0.103 4.447 4.550 0.000 0.000 0.291 261 Y C 1.428 177.363 175.900 0.059 0.000 1.143 261 Y CA 1.293 59.391 58.100 -0.003 0.000 1.257 261 Y CB -1.011 37.506 38.460 0.094 0.000 0.984 261 Y HN 0.364 nan 8.280 nan 0.000 0.550 262 Y N -0.058 120.208 120.300 -0.056 0.000 2.461 262 Y HA 0.488 5.039 4.550 0.000 0.000 0.277 262 Y C -0.247 175.696 175.900 0.071 0.000 1.182 262 Y CA -1.797 56.346 58.100 0.071 0.000 1.276 262 Y CB -0.747 37.765 38.460 0.086 0.000 1.087 262 Y HN 0.006 nan 8.280 nan 0.000 0.519 263 I N 4.644 125.198 120.570 -0.026 0.000 2.377 263 I HA 0.343 4.513 4.170 0.000 0.000 0.293 263 I C -2.286 173.832 176.117 0.002 0.000 0.987 263 I CA -2.556 58.753 61.300 0.014 0.000 1.185 263 I CB 1.674 39.647 38.000 -0.045 0.000 1.341 263 I HN -0.125 nan 8.210 nan 0.000 0.455 264 P HA 0.191 nan 4.420 nan 0.000 0.272 264 P C -0.736 176.534 177.300 -0.049 0.000 1.223 264 P CA -0.217 62.872 63.100 -0.018 0.000 0.784 264 P CB 1.164 32.856 31.700 -0.012 0.000 0.923 265 M N 0.861 120.440 119.600 -0.034 0.000 2.517 265 M HA 0.240 4.720 4.480 0.000 0.000 0.248 265 M C 1.282 177.534 176.300 -0.081 0.000 0.923 265 M CA -0.349 54.903 55.300 -0.080 0.000 1.314 265 M CB -0.524 32.069 32.600 -0.011 0.000 1.392 265 M HN 0.282 nan 8.290 nan 0.000 0.711 266 Y N -1.479 118.836 120.300 0.024 0.000 2.482 266 Y HA 0.112 4.662 4.550 0.000 0.000 0.270 266 Y C -0.091 175.867 175.900 0.097 0.000 1.152 266 Y CA 0.127 58.241 58.100 0.023 0.000 1.292 266 Y CB 0.297 38.721 38.460 -0.061 0.000 1.070 266 Y HN 0.317 nan 8.280 nan 0.000 0.528 267 Y N 0.389 120.749 120.300 0.100 0.000 2.425 267 Y HA 0.699 5.249 4.550 0.000 0.000 0.344 267 Y C -0.718 175.229 175.900 0.079 0.000 0.969 267 Y CA -2.194 55.950 58.100 0.073 0.000 1.052 267 Y CB 1.201 39.685 38.460 0.039 0.000 1.215 267 Y HN -0.143 nan 8.280 nan 0.000 0.451 268 A N 4.297 126.972 122.820 -0.241 0.000 2.316 268 A HA 0.716 5.036 4.320 0.000 0.000 0.311 268 A C -0.598 176.855 177.584 -0.218 0.000 1.339 268 A CA 0.084 52.072 52.037 -0.080 0.000 0.960 268 A CB -0.636 18.454 19.000 0.151 0.000 1.152 268 A HN 1.059 nan 8.150 nan 0.000 0.547 269 A N 5.042 127.851 122.820 -0.018 0.000 2.893 269 A HA 0.658 4.978 4.320 0.000 0.000 0.333 269 A C -2.794 174.885 177.584 0.159 0.000 1.152 269 A CA -1.333 50.745 52.037 0.068 0.000 0.782 269 A CB 0.553 19.689 19.000 0.226 0.000 1.108 269 A HN 0.485 nan 8.150 nan 0.000 0.469 270 P HA 0.127 nan 4.420 nan 0.000 0.238 270 P C -0.759 176.730 177.300 0.314 0.000 1.794 270 P CA 0.373 63.563 63.100 0.150 0.000 1.088 270 P CB -0.550 31.199 31.700 0.081 0.000 1.923 271 W N 5.626 126.944 121.300 0.030 0.000 3.216 271 W HA 0.395 5.056 4.660 0.000 0.000 0.335 271 W C -2.564 173.966 176.519 0.019 0.000 1.077 271 W CA -0.740 56.625 57.345 0.034 0.000 1.252 271 W CB 1.172 30.663 29.460 0.052 0.000 1.312 271 W HN -0.101 nan 8.180 nan 0.000 0.446 272 L N 6.534 127.453 121.223 -0.506 0.000 2.354 272 L HA 0.596 4.936 4.340 0.000 0.000 0.269 272 L C -0.142 176.261 176.870 -0.777 0.000 1.005 272 L CA -1.198 53.375 54.840 -0.446 0.000 0.819 272 L CB 2.568 44.589 42.059 -0.063 0.000 1.311 272 L HN 0.290 nan 8.230 nan 0.000 0.423 273 I N 2.417 122.669 120.570 -0.530 0.000 2.354 273 I HA 0.284 4.454 4.170 0.000 0.000 0.286 273 I C -0.400 175.523 176.117 -0.323 0.000 1.007 273 I CA -0.710 60.314 61.300 -0.461 0.000 1.167 273 I CB 1.830 39.646 38.000 -0.307 0.000 1.320 273 I HN 0.206 nan 8.210 nan 0.000 0.458 274 V N 5.913 125.486 119.914 -0.570 0.000 2.583 274 V HA 0.255 4.375 4.120 0.000 0.000 0.287 274 V C 0.052 175.802 176.094 -0.572 0.000 1.051 274 V CA -0.284 61.557 62.300 -0.765 0.000 1.010 274 V CB 1.279 32.397 31.823 -1.176 0.000 0.988 274 V HN 0.668 nan 8.190 nan 0.000 0.478 275 N N 2.346 120.778 118.700 -0.445 0.000 2.258 275 N HA 0.784 5.524 4.740 0.000 0.000 0.299 275 N C -0.424 174.778 175.510 -0.513 0.000 1.047 275 N CA 0.005 52.803 53.050 -0.420 0.000 0.814 275 N CB 2.267 40.622 38.487 -0.219 0.000 1.413 275 N HN 0.901 nan 8.380 nan 0.000 0.478 276 G N 0.135 108.445 108.800 -0.817 0.000 2.704 276 G HA2 0.424 4.384 3.960 0.000 0.000 0.293 276 G HA3 0.424 4.384 3.960 0.000 0.000 0.293 276 G C -0.493 174.156 174.900 -0.419 0.000 1.421 276 G CA -0.448 44.230 45.100 -0.703 0.000 0.870 276 G HN 0.820 nan 8.290 nan 0.000 0.492 277 C N -0.351 118.901 119.300 -0.081 0.000 4.235 277 C HA -0.029 4.432 4.460 0.000 0.000 0.301 277 C C 1.594 176.565 174.990 -0.032 0.000 1.409 277 C CA -0.169 58.858 59.018 0.015 0.000 2.024 277 C CB -2.746 25.075 27.740 0.135 0.000 1.286 277 C HN 1.598 nan 8.230 nan 0.000 0.746 278 A N -0.118 122.662 122.820 -0.067 0.000 2.462 278 A HA 0.486 4.806 4.320 0.000 0.000 0.243 278 A C 1.558 179.124 177.584 -0.030 0.000 1.076 278 A CA 1.181 53.178 52.037 -0.066 0.000 0.773 278 A CB -0.018 18.943 19.000 -0.065 0.000 1.010 278 A HN 2.445 nan 8.150 nan 0.000 0.493 279 G N 1.211 109.997 108.800 -0.023 0.000 2.179 279 G HA2 -0.179 3.781 3.960 0.000 0.000 0.260 279 G HA3 -0.179 3.781 3.960 0.000 0.000 0.260 279 G C 0.551 175.453 174.900 0.004 0.000 0.977 279 G CA 1.330 46.430 45.100 0.000 0.000 0.641 279 G HN 2.177 nan 8.290 nan 0.000 0.533 280 T N -2.201 112.353 114.554 0.001 0.000 2.952 280 T HA 0.696 5.046 4.350 0.000 0.000 0.286 280 T C 1.737 176.443 174.700 0.009 0.000 1.024 280 T CA 0.794 62.898 62.100 0.007 0.000 1.029 280 T CB 1.596 70.471 68.868 0.012 0.000 1.094 280 T HN 1.141 nan 8.240 nan 0.000 0.515 281 S N 0.561 116.266 115.700 0.009 0.000 2.383 281 S HA -0.193 4.277 4.470 0.000 0.000 0.229 281 S C 1.274 175.889 174.600 0.024 0.000 1.030 281 S CA 1.370 59.575 58.200 0.009 0.000 1.002 281 S CB -0.957 62.246 63.200 0.004 0.000 0.829 281 S HN 0.927 nan 8.310 nan 0.000 0.467 282 E N 1.103 121.323 120.200 0.034 0.000 2.403 282 E HA 0.173 4.524 4.350 0.000 0.000 0.187 282 E C 0.577 177.251 176.600 0.125 0.000 1.073 282 E CA -0.380 56.056 56.400 0.060 0.000 0.888 282 E CB -0.265 29.459 29.700 0.038 0.000 1.035 282 E HN 0.650 nan 8.360 nan 0.000 0.471 283 Q N 1.428 121.282 119.800 0.090 0.000 2.386 283 Q HA 0.007 4.347 4.340 0.000 0.000 0.282 283 Q C -1.070 175.034 176.000 0.174 0.000 1.050 283 Q CA 0.113 55.963 55.803 0.078 0.000 0.918 283 Q CB 0.363 29.096 28.738 -0.009 0.000 1.266 283 Q HN 0.432 nan 8.270 nan 0.000 0.423 284 Y N -0.898 119.412 120.300 0.016 0.000 2.513 284 Y HA 0.692 5.242 4.550 0.000 0.000 0.340 284 Y C -1.406 174.501 175.900 0.011 0.000 1.055 284 Y CA -0.957 57.187 58.100 0.074 0.000 1.020 284 Y CB 1.629 40.190 38.460 0.169 0.000 1.301 284 Y HN 0.396 nan 8.280 nan 0.000 0.453 285 S N 2.704 118.404 115.700 -0.001 0.000 2.540 285 S HA 0.680 5.150 4.470 0.000 0.000 0.275 285 S C -1.895 172.704 174.600 -0.003 0.000 1.123 285 S CA -0.821 57.286 58.200 -0.155 0.000 0.907 285 S CB 1.278 64.341 63.200 -0.229 0.000 1.081 285 S HN 0.815 nan 8.310 nan 0.000 0.476 286 Y N -0.674 119.627 120.300 0.003 0.000 2.534 286 Y HA 0.850 5.400 4.550 0.000 0.000 0.345 286 Y C -0.094 175.793 175.900 -0.021 0.000 1.031 286 Y CA -1.234 56.913 58.100 0.080 0.000 1.022 286 Y CB 0.511 39.147 38.460 0.293 0.000 1.292 286 Y HN 0.676 nan 8.280 nan 0.000 0.459 287 G N 1.177 110.064 108.800 0.145 0.000 2.451 287 G HA2 0.397 4.357 3.960 0.000 0.000 0.303 287 G HA3 0.397 4.357 3.960 0.000 0.000 0.303 287 G C -2.240 172.724 174.900 0.107 0.000 1.166 287 G CA -0.571 44.350 45.100 -0.299 0.000 0.884 287 G HN 0.805 nan 8.290 nan 0.000 0.514 288 W N 2.840 123.899 121.300 -0.401 0.000 2.802 288 W HA 0.616 5.276 4.660 0.000 0.000 0.331 288 W C -2.571 174.000 176.519 0.088 0.000 1.021 288 W CA -2.571 54.770 57.345 -0.006 0.000 1.259 288 W CB 1.281 30.840 29.460 0.165 0.000 1.323 288 W HN 0.270 nan 8.180 nan 0.000 0.432 289 F N 8.337 128.490 119.950 0.338 0.000 2.499 289 F HA 0.544 5.071 4.527 0.000 0.000 0.333 289 F C -0.953 174.925 175.800 0.130 0.000 1.138 289 F CA -1.450 56.700 58.000 0.249 0.000 0.945 289 F CB 1.442 40.613 39.000 0.284 0.000 1.181 289 F HN 0.224 nan 8.300 nan 0.000 0.435 290 M N 6.226 125.578 119.600 -0.412 0.000 2.055 290 M HA 0.256 4.736 4.480 0.000 0.000 0.347 290 M C -0.937 174.865 176.300 -0.831 0.000 1.123 290 M CA -0.468 54.498 55.300 -0.557 0.000 1.035 290 M CB 0.363 32.748 32.600 -0.359 0.000 1.484 290 M HN 0.547 nan 8.290 nan 0.000 0.428 291 D N 4.830 124.664 120.400 -0.944 0.000 2.416 291 D HA 0.169 4.809 4.640 0.000 0.000 0.240 291 D C -1.270 174.878 176.300 -0.253 0.000 1.250 291 D CA 0.579 54.182 54.000 -0.662 0.000 0.967 291 D CB 0.172 40.783 40.800 -0.315 0.000 1.059 291 D HN 0.587 nan 8.370 nan 0.000 0.512 292 N N 2.736 121.352 118.700 -0.141 0.000 2.369 292 N HA 0.071 4.811 4.740 0.000 0.000 0.287 292 N C 0.377 175.767 175.510 -0.200 0.000 1.067 292 N CA -0.469 52.489 53.050 -0.153 0.000 0.888 292 N CB 2.057 40.464 38.487 -0.132 0.000 1.616 292 N HN 0.035 nan 8.380 nan 0.000 0.482 293 V N 0.380 120.106 119.914 -0.313 0.000 3.660 293 V HA 0.248 4.368 4.120 0.000 0.000 0.276 293 V C 1.189 177.147 176.094 -0.226 0.000 1.317 293 V CA 0.217 62.259 62.300 -0.431 0.000 1.097 293 V CB -0.447 31.040 31.823 -0.561 0.000 0.863 293 V HN 0.577 nan 8.190 nan 0.000 0.438 294 S N 0.250 115.879 115.700 -0.118 0.000 2.641 294 S HA 0.228 4.699 4.470 0.000 0.000 0.261 294 S C 0.242 174.827 174.600 -0.026 0.000 1.257 294 S CA -0.260 57.925 58.200 -0.025 0.000 0.983 294 S CB 0.582 63.847 63.200 0.109 0.000 0.990 294 S HN 0.630 nan 8.310 nan 0.000 0.572 295 Q N 1.164 120.985 119.800 0.036 0.000 2.244 295 Q HA 0.208 4.548 4.340 0.000 0.000 0.278 295 Q C -0.218 175.606 176.000 -0.295 0.000 1.093 295 Q CA -0.204 55.563 55.803 -0.061 0.000 0.916 295 Q CB 0.062 28.807 28.738 0.011 0.000 1.159 295 Q HN 0.787 nan 8.270 nan 0.000 0.384 296 S N 3.546 119.015 115.700 -0.386 0.000 2.704 296 S HA 0.678 5.148 4.470 0.000 0.000 0.305 296 S C -1.141 173.019 174.600 -0.733 0.000 1.107 296 S CA -0.681 57.279 58.200 -0.400 0.000 0.993 296 S CB 0.980 64.083 63.200 -0.162 0.000 1.110 296 S HN 0.554 nan 8.310 nan 0.000 0.534 297 Y N -0.715 119.417 120.300 -0.280 0.000 2.524 297 Y HA 0.645 5.195 4.550 0.000 0.000 0.347 297 Y C -0.477 175.321 175.900 -0.170 0.000 1.005 297 Y CA -1.044 56.888 58.100 -0.280 0.000 1.025 297 Y CB 2.290 40.414 38.460 -0.561 0.000 1.275 297 Y HN 0.596 nan 8.280 nan 0.000 0.460 298 M N 3.308 122.898 119.600 -0.018 0.000 2.122 298 M HA 0.294 4.774 4.480 0.000 0.000 0.269 298 M C -1.336 174.812 176.300 -0.253 0.000 0.954 298 M CA -0.377 54.820 55.300 -0.172 0.000 0.998 298 M CB 1.641 34.131 32.600 -0.183 0.000 1.755 298 M HN 0.514 nan 8.290 nan 0.000 0.459 299 N N 2.089 120.470 118.700 -0.531 0.000 2.443 299 N HA 0.356 5.096 4.740 0.000 0.000 0.269 299 N C -0.465 174.675 175.510 -0.618 0.000 0.985 299 N CA -0.091 52.566 53.050 -0.654 0.000 0.921 299 N CB 1.744 39.448 38.487 -1.305 0.000 1.195 299 N HN 0.743 nan 8.380 nan 0.000 0.492 300 T N 0.009 114.243 114.554 -0.533 0.000 3.258 300 T HA 0.392 4.742 4.350 0.000 0.000 0.259 300 T C 0.818 175.185 174.700 -0.555 0.000 0.963 300 T CA -0.045 61.603 62.100 -0.753 0.000 0.919 300 T CB -0.493 67.773 68.868 -1.003 0.000 1.110 300 T HN 0.646 nan 8.240 nan 0.000 0.550 301 G N 0.971 109.554 108.800 -0.361 0.000 2.288 301 G HA2 -0.141 3.819 3.960 0.000 0.000 0.205 301 G HA3 -0.141 3.819 3.960 0.000 0.000 0.205 301 G C -0.602 174.202 174.900 -0.160 0.000 1.071 301 G CA -0.452 44.521 45.100 -0.211 0.000 0.788 301 G HN 0.636 nan 8.290 nan 0.000 0.491 302 D N 0.395 120.708 120.400 -0.145 0.000 2.232 302 D HA 0.557 5.198 4.640 0.000 0.000 0.242 302 D C 1.839 178.130 176.300 -0.016 0.000 1.093 302 D CA 0.350 54.297 54.000 -0.087 0.000 0.845 302 D CB 1.185 41.950 40.800 -0.059 0.000 1.124 302 D HN 0.221 nan 8.370 nan 0.000 0.467 303 T N -0.522 114.013 114.554 -0.032 0.000 3.081 303 T HA 0.024 4.374 4.350 0.000 0.000 0.255 303 T C 0.812 175.492 174.700 -0.033 0.000 1.113 303 T CA -0.028 62.062 62.100 -0.017 0.000 1.082 303 T CB -0.297 68.551 68.868 -0.034 0.000 0.939 303 T HN 0.283 nan 8.240 nan 0.000 0.506 304 T N 2.820 117.317 114.554 -0.096 0.000 2.908 304 T HA 0.016 4.366 4.350 0.000 0.000 0.301 304 T C 0.126 174.782 174.700 -0.072 0.000 1.019 304 T CA -0.021 61.878 62.100 -0.336 0.000 1.152 304 T CB -0.264 68.175 68.868 -0.715 0.000 0.966 304 T HN 0.589 nan 8.240 nan 0.000 0.540 305 W N 1.281 122.634 121.300 0.088 0.000 3.520 305 W HA -0.282 4.378 4.660 0.000 0.000 0.305 305 W C 0.414 176.979 176.519 0.077 0.000 1.150 305 W CA 0.159 57.562 57.345 0.096 0.000 0.656 305 W CB -2.796 26.768 29.460 0.174 0.000 2.198 305 W HN 0.954 nan 8.180 nan 0.000 1.417 306 N N -0.355 118.454 118.700 0.180 0.000 2.699 306 N HA -0.219 4.521 4.740 0.000 0.000 0.256 306 N C 1.120 176.721 175.510 0.152 0.000 0.993 306 N CA 1.575 54.697 53.050 0.122 0.000 0.759 306 N CB -0.931 37.599 38.487 0.071 0.000 0.906 306 N HN 0.527 nan 8.380 nan 0.000 0.541 307 S N -1.882 113.958 115.700 0.234 0.000 2.406 307 S HA 0.211 4.681 4.470 0.000 0.000 0.224 307 S C 1.137 175.919 174.600 0.304 0.000 1.030 307 S CA 0.779 59.139 58.200 0.267 0.000 0.958 307 S CB 0.801 64.224 63.200 0.372 0.000 0.811 307 S HN 0.566 nan 8.310 nan 0.000 0.489 308 G N -0.345 108.585 108.800 0.217 0.000 2.911 308 G HA2 0.659 4.619 3.960 0.000 0.000 0.299 308 G HA3 0.659 4.619 3.960 0.000 0.000 0.299 308 G C -1.969 172.975 174.900 0.074 0.000 1.283 308 G CA -0.878 44.343 45.100 0.201 0.000 0.805 308 G HN 0.264 nan 8.290 nan 0.000 0.548 309 Q N -0.637 119.187 119.800 0.040 0.000 2.372 309 Q HA 0.291 4.631 4.340 0.000 0.000 0.273 309 Q C 0.257 176.241 176.000 -0.027 0.000 1.078 309 Q CA -0.681 55.123 55.803 0.002 0.000 0.806 309 Q CB 3.142 31.882 28.738 0.003 0.000 1.332 309 Q HN 0.672 nan 8.270 nan 0.000 0.435 310 E N 0.879 121.060 120.200 -0.032 0.000 2.187 310 E HA -0.226 4.124 4.350 0.000 0.000 0.199 310 E C -0.077 176.502 176.600 -0.035 0.000 1.004 310 E CA 1.241 57.617 56.400 -0.040 0.000 0.813 310 E CB 0.240 29.925 29.700 -0.025 0.000 0.736 310 E HN 0.498 nan 8.360 nan 0.000 0.468 311 D N -0.421 119.960 120.400 -0.032 0.000 2.463 311 D HA 0.198 4.838 4.640 0.000 0.000 0.224 311 D C -0.205 176.059 176.300 -0.060 0.000 1.174 311 D CA 0.173 54.144 54.000 -0.049 0.000 0.829 311 D CB 0.557 41.327 40.800 -0.051 0.000 0.993 311 D HN 0.049 nan 8.370 nan 0.000 0.497 312 L N 0.545 121.752 121.223 -0.026 0.000 2.431 312 L HA 0.663 5.003 4.340 0.000 0.000 0.266 312 L C -0.722 176.168 176.870 0.034 0.000 0.978 312 L CA -0.992 53.862 54.840 0.023 0.000 0.822 312 L CB 2.375 44.469 42.059 0.058 0.000 1.310 312 L HN -0.181 nan 8.230 nan 0.000 0.409 313 A N 2.584 125.483 122.820 0.131 0.000 2.331 313 A HA 0.823 5.143 4.320 0.000 0.000 0.320 313 A C -1.419 176.404 177.584 0.398 0.000 1.138 313 A CA -0.359 51.762 52.037 0.141 0.000 0.790 313 A CB 1.056 20.232 19.000 0.292 0.000 1.206 313 A HN 0.630 nan 8.150 nan 0.000 0.470 314 Y N -0.316 120.116 120.300 0.221 0.000 2.605 314 Y HA 0.878 5.429 4.550 0.000 0.000 0.343 314 Y C -0.787 175.131 175.900 0.029 0.000 1.036 314 Y CA -1.853 56.416 58.100 0.282 0.000 1.065 314 Y CB 1.420 40.002 38.460 0.202 0.000 1.288 314 Y HN 0.547 nan 8.280 nan 0.000 0.481 315 M N 1.307 121.113 119.600 0.342 0.000 2.550 315 M HA 0.761 5.241 4.480 0.000 0.000 0.292 315 M C -0.626 175.892 176.300 0.362 0.000 1.221 315 M CA -0.701 54.659 55.300 0.099 0.000 0.873 315 M CB 2.972 35.338 32.600 -0.390 0.000 1.727 315 M HN 1.124 nan 8.290 nan 0.000 0.459 316 G N 0.732 109.698 108.800 0.277 0.000 2.559 316 G HA2 0.824 4.784 3.960 0.000 0.000 0.291 316 G HA3 0.824 4.784 3.960 0.000 0.000 0.291 316 G C -2.459 172.553 174.900 0.185 0.000 1.424 316 G CA -0.442 44.876 45.100 0.364 0.000 0.786 316 G HN 0.897 nan 8.290 nan 0.000 0.485 317 A N -0.571 122.406 122.820 0.261 0.000 2.539 317 A HA 0.703 5.023 4.320 0.000 0.000 0.296 317 A C 0.595 178.330 177.584 0.251 0.000 1.073 317 A CA -0.382 51.754 52.037 0.165 0.000 0.700 317 A CB 1.765 20.809 19.000 0.074 0.000 1.296 317 A HN 0.441 nan 8.150 nan 0.000 0.405 318 Q N -0.486 119.449 119.800 0.225 0.000 2.291 318 Q HA -0.044 4.297 4.340 0.000 0.000 0.206 318 Q C -0.718 175.191 176.000 -0.152 0.000 0.976 318 Q CA 1.694 57.581 55.803 0.140 0.000 0.875 318 Q CB -0.235 28.629 28.738 0.210 0.000 0.927 318 Q HN 0.661 nan 8.270 nan 0.000 0.450 319 Y N -1.781 118.559 120.300 0.067 0.000 2.581 319 Y HA 0.519 5.069 4.550 0.000 0.000 0.345 319 Y C 0.864 176.764 175.900 0.001 0.000 1.036 319 Y CA -0.881 57.235 58.100 0.026 0.000 1.042 319 Y CB 1.278 39.755 38.460 0.027 0.000 1.289 319 Y HN -0.068 nan 8.280 nan 0.000 0.471 320 G N 1.316 110.183 108.800 0.111 0.000 2.683 320 G HA2 0.419 4.379 3.960 0.000 0.000 0.260 320 G HA3 0.419 4.379 3.960 0.000 0.000 0.260 320 G C -2.653 172.258 174.900 0.017 0.000 1.238 320 G CA -0.880 44.217 45.100 -0.004 0.000 0.934 320 G HN 0.333 nan 8.290 nan 0.000 0.534 321 P HA 0.341 nan 4.420 nan 0.000 0.284 321 P C -1.118 176.100 177.300 -0.137 0.000 1.292 321 P CA -0.764 62.262 63.100 -0.123 0.000 0.800 321 P CB 0.674 32.327 31.700 -0.079 0.000 1.188 322 F N 0.981 120.675 119.950 -0.426 0.000 2.371 322 F HA 0.403 4.930 4.527 0.000 0.000 0.363 322 F C -0.343 175.341 175.800 -0.194 0.000 1.122 322 F CA 0.147 57.927 58.000 -0.368 0.000 1.129 322 F CB 0.316 38.853 39.000 -0.770 0.000 1.173 322 F HN 0.067 nan 8.300 nan 0.000 0.489 323 D N 5.538 125.739 120.400 -0.332 0.000 2.616 323 D HA 0.184 4.824 4.640 0.000 0.000 0.238 323 D C -1.605 174.472 176.300 -0.371 0.000 1.354 323 D CA -0.243 53.641 54.000 -0.193 0.000 0.970 323 D CB 1.402 42.146 40.800 -0.093 0.000 1.369 323 D HN 0.656 nan 8.370 nan 0.000 0.585 324 Q N 2.812 122.403 119.800 -0.349 0.000 2.323 324 Q HA 0.425 4.765 4.340 0.000 0.000 0.271 324 Q C -1.478 174.187 176.000 -0.559 0.000 1.048 324 Q CA -0.712 54.831 55.803 -0.433 0.000 0.792 324 Q CB 1.411 29.932 28.738 -0.362 0.000 1.280 324 Q HN 0.489 nan 8.270 nan 0.000 0.441 325 H N 2.401 121.307 119.070 -0.274 0.000 2.505 325 H HA 0.405 4.962 4.556 0.000 0.000 0.338 325 H C -1.373 173.803 175.328 -0.254 0.000 1.057 325 H CA -0.294 55.687 56.048 -0.113 0.000 1.202 325 H CB 0.887 30.833 29.762 0.307 0.000 1.466 325 H HN 0.416 nan 8.280 nan 0.000 0.499 326 F N 2.798 122.797 119.950 0.082 0.000 2.347 326 F HA 0.325 4.852 4.527 0.000 0.000 0.366 326 F C -0.399 175.491 175.800 0.150 0.000 1.107 326 F CA -0.891 57.104 58.000 -0.009 0.000 1.058 326 F CB 0.953 39.668 39.000 -0.476 0.000 1.236 326 F HN 0.223 nan 8.300 nan 0.000 0.456 327 V N 4.749 124.922 119.914 0.432 0.000 2.294 327 V HA 0.061 4.182 4.120 0.000 0.000 0.272 327 V C 0.466 176.813 176.094 0.422 0.000 1.027 327 V CA -0.555 62.000 62.300 0.425 0.000 0.823 327 V CB 0.454 32.541 31.823 0.439 0.000 1.030 327 V HN 0.782 nan 8.190 nan 0.000 0.457 328 Y N 4.740 125.219 120.300 0.298 0.000 2.286 328 Y HA 0.435 4.985 4.550 0.000 0.000 0.293 328 Y C 1.360 177.388 175.900 0.213 0.000 1.124 328 Y CA 1.256 59.514 58.100 0.263 0.000 1.178 328 Y CB 0.180 38.764 38.460 0.207 0.000 1.010 328 Y HN 0.787 nan 8.280 nan 0.000 0.536 329 G N -0.803 108.122 108.800 0.209 0.000 2.603 329 G HA2 0.095 4.055 3.960 0.000 0.000 0.686 329 G HA3 0.095 4.055 3.960 0.000 0.000 0.686 329 G C 0.221 175.209 174.900 0.146 0.000 1.286 329 G CA -0.386 44.775 45.100 0.102 0.000 0.871 329 G HN 0.792 nan 8.290 nan 0.000 0.568 330 A N -0.547 122.335 122.820 0.104 0.000 1.984 330 A HA 0.751 5.071 4.320 0.000 0.000 0.203 330 A C 1.874 179.502 177.584 0.073 0.000 1.292 330 A CA 1.820 53.923 52.037 0.111 0.000 0.782 330 A CB -0.482 18.579 19.000 0.102 0.000 0.924 330 A HN 2.353 nan 8.150 nan 0.000 0.475 331 G N -0.690 108.128 108.800 0.030 0.000 2.508 331 G HA2 0.449 4.409 3.960 0.000 0.000 0.278 331 G HA3 0.449 4.409 3.960 0.000 0.000 0.278 331 G C 0.312 175.200 174.900 -0.021 0.000 1.389 331 G CA 0.030 45.134 45.100 0.006 0.000 1.050 331 G HN 0.757 nan 8.290 nan 0.000 0.522 332 G N -2.174 106.606 108.800 -0.034 0.000 2.388 332 G HA2 0.691 4.651 3.960 0.000 0.000 0.330 332 G HA3 0.691 4.651 3.960 0.000 0.000 0.330 332 G C 0.109 174.958 174.900 -0.085 0.000 1.142 332 G CA 0.432 45.498 45.100 -0.056 0.000 0.908 332 G HN 1.842 nan 8.290 nan 0.000 0.473 333 G N 0.703 109.436 108.800 -0.112 0.000 2.587 333 G HA2 -0.083 3.877 3.960 0.000 0.000 0.686 333 G HA3 -0.083 3.877 3.960 0.000 0.000 0.686 333 G C 0.790 175.625 174.900 -0.109 0.000 1.236 333 G CA 0.003 45.037 45.100 -0.110 0.000 0.820 333 G HN 0.701 nan 8.290 nan 0.000 0.645 334 M N 0.034 119.564 119.600 -0.117 0.000 2.149 334 M HA -0.033 4.447 4.480 0.000 0.000 0.261 334 M C 1.663 177.953 176.300 -0.016 0.000 1.064 334 M CA 1.642 56.877 55.300 -0.108 0.000 1.102 334 M CB -0.147 32.342 32.600 -0.186 0.000 1.369 334 M HN 0.710 nan 8.290 nan 0.000 0.408 338 V N 1.700 121.764 119.914 0.250 0.000 2.307 338 V HA -0.224 3.896 4.120 0.000 0.000 0.245 338 V C 2.848 179.029 176.094 0.144 0.000 1.045 338 V CA 3.159 65.606 62.300 0.244 0.000 1.024 338 V CB -0.982 30.938 31.823 0.162 0.000 0.651 338 V HN 0.809 nan 8.190 nan 0.000 0.449 339 T N -0.653 113.965 114.554 0.107 0.000 2.746 339 T HA -0.137 4.213 4.350 0.000 0.000 0.267 339 T C 1.920 176.683 174.700 0.105 0.000 1.039 339 T CA 1.529 63.675 62.100 0.076 0.000 1.142 339 T CB -0.511 68.402 68.868 0.075 0.000 0.866 339 T HN 0.462 nan 8.240 nan 0.000 0.444 340 A N 0.604 123.519 122.820 0.159 0.000 1.969 340 A HA 0.153 4.473 4.320 0.000 0.000 0.218 340 A C 2.015 179.742 177.584 0.238 0.000 1.169 340 A CA 1.099 53.254 52.037 0.197 0.000 0.635 340 A CB -1.017 18.114 19.000 0.219 0.000 0.810 340 A HN 0.485 nan 8.150 nan 0.000 0.445 341 F N 1.783 121.746 119.950 0.022 0.000 2.206 341 F HA -0.106 4.421 4.527 0.000 0.000 0.298 341 F C 2.717 178.385 175.800 -0.220 0.000 1.090 341 F CA 1.350 59.264 58.000 -0.143 0.000 1.323 341 F CB -0.614 38.154 39.000 -0.387 0.000 1.028 341 F HN 0.330 nan 8.300 nan 0.000 0.492 342 S N 0.245 115.836 115.700 -0.182 0.000 2.402 342 S HA -0.181 4.289 4.470 0.000 0.000 0.229 342 S C 2.108 176.615 174.600 -0.155 0.000 1.021 342 S CA 1.144 59.172 58.200 -0.287 0.000 0.974 342 S CB -1.118 61.956 63.200 -0.209 0.000 0.800 342 S HN 0.401 nan 8.310 nan 0.000 0.484 343 L N 1.488 122.695 121.223 -0.028 0.000 2.046 343 L HA 0.148 4.488 4.340 0.000 0.000 0.208 343 L C 2.236 179.133 176.870 0.045 0.000 1.077 343 L CA 1.594 56.459 54.840 0.042 0.000 0.747 343 L CB -0.620 41.517 42.059 0.130 0.000 0.896 343 L HN 0.370 nan 8.230 nan 0.000 0.432 344 L N -0.882 120.362 121.223 0.035 0.000 2.265 344 L HA -0.202 4.139 4.340 0.000 0.000 0.215 344 L C 2.270 179.095 176.870 -0.075 0.000 1.117 344 L CA 1.152 56.005 54.840 0.022 0.000 0.782 344 L CB -0.506 41.577 42.059 0.040 0.000 0.914 344 L HN 0.488 nan 8.230 nan 0.000 0.441 345 Q N -0.637 119.061 119.800 -0.170 0.000 2.378 345 Q HA 0.151 4.491 4.340 0.000 0.000 0.216 345 Q C 1.296 177.310 176.000 0.022 0.000 0.892 345 Q CA 0.103 55.810 55.803 -0.159 0.000 0.931 345 Q CB 0.353 28.863 28.738 -0.380 0.000 1.086 345 Q HN 0.456 nan 8.270 nan 0.000 0.528 346 G N 1.242 110.042 108.800 -0.001 0.000 2.750 346 G HA2 -0.013 3.947 3.960 0.000 0.000 0.250 346 G HA3 -0.013 3.947 3.960 0.000 0.000 0.250 346 G C 0.276 175.118 174.900 -0.096 0.000 1.230 346 G CA -0.240 44.858 45.100 -0.004 0.000 0.883 346 G HN -0.020 nan 8.290 nan 0.000 0.573 347 K N 0.039 120.305 120.400 -0.223 0.000 2.896 347 K HA 0.171 4.491 4.320 0.000 0.000 0.210 347 K C 0.996 177.300 176.600 -0.494 0.000 1.116 347 K CA -0.149 55.917 56.287 -0.369 0.000 1.050 347 K CB 1.068 33.269 32.500 -0.498 0.000 0.812 347 K HN 0.522 nan 8.250 nan 0.000 0.462 348 E N -0.220 119.666 120.200 -0.523 0.000 2.347 348 E HA -0.102 4.248 4.350 0.000 0.000 0.196 348 E C 1.255 177.154 176.600 -1.168 0.000 1.008 348 E CA 0.660 56.525 56.400 -0.891 0.000 0.852 348 E CB -0.304 28.578 29.700 -1.364 0.000 0.783 348 E HN 0.448 nan 8.360 nan 0.000 0.505 349 F N 0.164 119.579 119.950 -0.891 0.000 2.407 349 F HA 0.108 4.636 4.527 0.000 0.000 0.299 349 F C 1.421 177.060 175.800 -0.267 0.000 1.097 349 F CA 0.594 58.263 58.000 -0.552 0.000 1.422 349 F CB -0.128 38.761 39.000 -0.185 0.000 1.067 349 F HN -0.122 nan 8.300 nan 0.000 0.539 350 E N 0.376 119.937 120.200 -1.065 0.000 2.502 350 E HA -0.049 4.302 4.350 0.000 0.000 0.194 350 E C -0.099 176.277 176.600 -0.372 0.000 1.062 350 E CA 0.186 56.147 56.400 -0.732 0.000 0.867 350 E CB -0.208 29.006 29.700 -0.810 0.000 0.888 350 E HN 0.342 nan 8.360 nan 0.000 0.510 351 N N 2.240 120.738 118.700 -0.337 0.000 2.727 351 N HA -0.164 4.577 4.740 0.000 0.000 0.249 351 N C -0.855 174.559 175.510 -0.160 0.000 1.048 351 N CA 0.680 53.619 53.050 -0.184 0.000 0.714 351 N CB -0.830 37.620 38.487 -0.063 0.000 0.959 351 N HN 0.291 nan 8.380 nan 0.000 0.544 352 Q N 0.509 120.172 119.800 -0.228 0.000 2.255 352 Q HA 0.045 4.385 4.340 0.000 0.000 0.280 352 Q C 1.442 177.389 176.000 -0.088 0.000 1.068 352 Q CA 0.132 55.834 55.803 -0.169 0.000 0.911 352 Q CB 1.370 29.977 28.738 -0.218 0.000 1.157 352 Q HN 0.263 nan 8.270 nan 0.000 0.380 353 V N 4.530 124.434 119.914 -0.016 0.000 2.453 353 V HA -0.193 3.928 4.120 0.000 0.000 0.247 353 V C 1.365 177.519 176.094 0.101 0.000 1.048 353 V CA 1.758 64.112 62.300 0.090 0.000 1.049 353 V CB 0.060 31.981 31.823 0.165 0.000 0.672 353 V HN 0.708 nan 8.190 nan 0.000 0.457 354 L N -0.268 120.930 121.223 -0.042 0.000 2.519 354 L HA 0.435 4.775 4.340 0.000 0.000 0.194 354 L C 1.037 177.754 176.870 -0.255 0.000 1.072 354 L CA 0.994 55.694 54.840 -0.234 0.000 0.845 354 L CB -0.358 41.451 42.059 -0.416 0.000 1.138 354 L HN 0.233 nan 8.230 nan 0.000 0.487 355 N N 1.162 119.741 118.700 -0.202 0.000 3.254 355 N HA 0.054 4.794 4.740 0.000 0.000 0.308 355 N C 0.640 176.050 175.510 -0.166 0.000 1.281 355 N CA 0.110 53.048 53.050 -0.187 0.000 1.212 355 N CB 0.371 38.778 38.487 -0.134 0.000 1.478 355 N HN 0.437 nan 8.380 nan 0.000 0.548 356 K N 0.365 120.645 120.400 -0.200 0.000 2.031 356 K HA 0.066 4.386 4.320 0.000 0.000 0.205 356 K C 1.150 177.697 176.600 -0.087 0.000 1.049 356 K CA 0.844 57.024 56.287 -0.179 0.000 0.939 356 K CB 0.371 32.757 32.500 -0.190 0.000 0.717 356 K HN 0.112 nan 8.250 nan 0.000 0.438 357 R N 0.023 120.453 120.500 -0.117 0.000 2.404 357 R HA 0.169 4.509 4.340 0.000 0.000 0.237 357 R C 0.363 176.474 176.300 -0.316 0.000 0.907 357 R CA 0.228 56.258 56.100 -0.117 0.000 1.063 357 R CB 1.012 31.198 30.300 -0.190 0.000 1.134 357 R HN 0.189 nan 8.270 nan 0.000 0.529 358 S N -1.287 114.258 115.700 -0.258 0.000 2.645 358 S HA 0.260 4.730 4.470 0.000 0.000 0.268 358 S C -0.621 173.892 174.600 -0.146 0.000 1.110 358 S CA -0.878 57.108 58.200 -0.357 0.000 0.823 358 S CB 1.140 64.121 63.200 -0.366 0.000 1.091 358 S HN -0.032 nan 8.310 nan 0.000 0.466 359 V N 0.031 119.887 119.914 -0.096 0.000 2.465 359 V HA 0.623 4.743 4.120 0.000 0.000 0.279 359 V C 0.392 176.453 176.094 -0.055 0.000 1.045 359 V CA -0.834 61.440 62.300 -0.043 0.000 0.938 359 V CB 0.751 32.589 31.823 0.025 0.000 0.986 359 V HN 0.909 nan 8.190 nan 0.000 0.467 360 M N 6.656 126.164 119.600 -0.153 0.000 2.239 360 M HA 0.354 4.834 4.480 0.000 0.000 0.348 360 M C -2.045 174.094 176.300 -0.268 0.000 1.239 360 M CA -1.570 53.586 55.300 -0.240 0.000 1.114 360 M CB 0.621 33.029 32.600 -0.319 0.000 1.641 360 M HN 0.589 nan 8.290 nan 0.000 0.453 361 P HA 0.429 nan 4.420 nan 0.000 0.278 361 P C -2.790 174.233 177.300 -0.461 0.000 1.266 361 P CA -1.588 61.002 63.100 -0.849 0.000 0.807 361 P CB -0.447 30.422 31.700 -1.386 0.000 1.094 362 P HA 0.135 nan 4.420 nan 0.000 0.272 362 P C 0.989 177.908 177.300 -0.636 0.000 1.230 362 P CA -0.206 62.499 63.100 -0.657 0.000 0.788 362 P CB 0.455 31.404 31.700 -1.252 0.000 0.949 363 K N 2.459 122.540 120.400 -0.532 0.000 2.059 363 K HA -0.258 4.063 4.320 0.000 0.000 0.212 363 K C 1.872 178.233 176.600 -0.398 0.000 1.050 363 K CA 2.124 58.024 56.287 -0.646 0.000 0.927 363 K CB -1.191 30.883 32.500 -0.709 0.000 0.714 363 K HN 0.552 nan 8.250 nan 0.000 0.447 364 Y N -0.934 119.135 120.300 -0.385 0.000 2.384 364 Y HA -0.091 4.459 4.550 0.000 0.000 0.289 364 Y C 1.643 177.451 175.900 -0.153 0.000 1.152 364 Y CA 0.717 58.626 58.100 -0.317 0.000 1.258 364 Y CB -1.133 37.072 38.460 -0.426 0.000 0.979 364 Y HN -0.124 nan 8.280 nan 0.000 0.549 365 V N 0.180 119.915 119.914 -0.298 0.000 2.720 365 V HA -0.246 3.874 4.120 0.000 0.000 0.256 365 V C 1.341 177.392 176.094 -0.072 0.000 1.082 365 V CA 1.475 63.636 62.300 -0.233 0.000 1.101 365 V CB -0.968 30.367 31.823 -0.813 0.000 0.693 365 V HN 0.389 nan 8.190 nan 0.000 0.479 366 F N 0.605 120.596 119.950 0.067 0.000 2.731 366 F HA 0.375 4.902 4.527 0.000 0.000 0.304 366 F C 1.588 177.390 175.800 0.004 0.000 1.133 366 F CA -0.103 57.932 58.000 0.059 0.000 1.380 366 F CB -0.849 38.110 39.000 -0.068 0.000 1.079 366 F HN 0.129 nan 8.300 nan 0.000 0.550 367 G N -0.454 108.431 108.800 0.143 0.000 2.621 367 G HA2 0.179 4.139 3.960 0.000 0.000 0.271 367 G HA3 0.179 4.139 3.960 0.000 0.000 0.271 367 G C -1.093 173.900 174.900 0.155 0.000 1.236 367 G CA -0.405 44.687 45.100 -0.014 0.000 0.958 367 G HN 0.097 nan 8.290 nan 0.000 0.512 368 F N 0.827 120.804 119.950 0.046 0.000 2.390 368 F HA 0.614 5.141 4.527 0.000 0.000 0.361 368 F C -0.866 174.626 175.800 -0.514 0.000 1.124 368 F CA -1.932 55.959 58.000 -0.181 0.000 1.149 368 F CB 0.080 39.050 39.000 -0.051 0.000 1.160 368 F HN 0.156 nan 8.300 nan 0.000 0.501 369 F N 3.772 123.126 119.950 -0.994 0.000 2.425 369 F HA 0.440 4.967 4.527 0.000 0.000 0.331 369 F C -0.045 175.126 175.800 -1.047 0.000 1.085 369 F CA -0.771 56.681 58.000 -0.915 0.000 1.028 369 F CB 1.462 40.117 39.000 -0.575 0.000 1.177 369 F HN 0.349 nan 8.300 nan 0.000 0.487 370 Q N 1.424 121.033 119.800 -0.318 0.000 2.331 370 Q HA 0.637 4.977 4.340 0.000 0.000 0.267 370 Q C -0.668 175.372 176.000 0.067 0.000 1.006 370 Q CA -0.455 55.303 55.803 -0.076 0.000 0.818 370 Q CB 1.897 30.765 28.738 0.216 0.000 1.276 370 Q HN 0.807 nan 8.270 nan 0.000 0.450 371 G N 1.369 110.221 108.800 0.086 0.000 2.453 371 G HA2 0.711 4.671 3.960 0.000 0.000 0.323 371 G HA3 0.711 4.671 3.960 0.000 0.000 0.323 371 G C -1.467 173.702 174.900 0.448 0.000 1.198 371 G CA -0.626 44.559 45.100 0.142 0.000 0.959 371 G HN 0.520 nan 8.290 nan 0.000 0.482 372 V N 1.532 121.676 119.914 0.383 0.000 2.668 372 V HA 0.323 4.443 4.120 0.000 0.000 0.304 372 V C -1.295 174.963 176.094 0.273 0.000 1.071 372 V CA -0.857 61.489 62.300 0.075 0.000 0.894 372 V CB 1.746 33.555 31.823 -0.023 0.000 1.008 372 V HN 0.699 nan 8.190 nan 0.000 0.425 373 F N 4.254 124.201 119.950 -0.005 0.000 2.434 373 F HA 0.680 5.207 4.527 0.000 0.000 0.358 373 F C 0.968 176.689 175.800 -0.130 0.000 1.136 373 F CA 0.092 58.123 58.000 0.051 0.000 1.157 373 F CB 0.645 39.761 39.000 0.193 0.000 1.167 373 F HN 0.841 nan 8.300 nan 0.000 0.539 374 G N 2.816 111.493 108.800 -0.204 0.000 2.247 374 G HA2 -0.102 3.858 3.960 0.000 0.000 0.111 374 G HA3 -0.102 3.858 3.960 0.000 0.000 0.111 374 G C -0.083 174.753 174.900 -0.106 0.000 1.045 374 G CA -0.263 44.650 45.100 -0.312 0.000 0.715 374 G HN 0.977 nan 8.290 nan 0.000 0.485 375 T N -1.870 112.702 114.554 0.030 0.000 2.874 375 T HA 0.706 5.056 4.350 0.000 0.000 0.281 375 T C 1.313 176.089 174.700 0.126 0.000 0.994 375 T CA 0.627 62.779 62.100 0.086 0.000 1.015 375 T CB 1.855 70.827 68.868 0.173 0.000 1.028 375 T HN 1.146 nan 8.240 nan 0.000 0.523 376 S N -0.900 114.817 115.700 0.029 0.000 2.687 376 S HA 0.389 4.859 4.470 0.000 0.000 0.247 376 S C 0.520 175.030 174.600 -0.150 0.000 1.050 376 S CA 0.053 58.272 58.200 0.031 0.000 1.063 376 S CB -0.235 62.947 63.200 -0.029 0.000 1.039 376 S HN 1.313 nan 8.310 nan 0.000 0.580 377 S N 0.126 115.494 115.700 -0.554 0.000 2.672 377 S HA 0.648 5.118 4.470 0.000 0.000 0.271 377 S C 0.064 173.937 174.600 -1.212 0.000 1.171 377 S CA -0.549 57.094 58.200 -0.929 0.000 0.817 377 S CB 0.872 63.827 63.200 -0.407 0.000 1.150 377 S HN 0.165 nan 8.310 nan 0.000 0.478 378 L N 0.564 121.182 121.223 -1.010 0.000 2.071 378 L HA 0.545 4.885 4.340 0.000 0.000 0.201 378 L C 0.090 176.555 176.870 -0.673 0.000 1.076 378 L CA 1.385 55.742 54.840 -0.805 0.000 0.755 378 L CB -0.712 40.934 42.059 -0.689 0.000 0.915 378 L HN 0.720 nan 8.230 nan 0.000 0.445 379 L N -0.253 120.655 121.223 -0.524 0.000 2.331 379 L HA 0.371 4.711 4.340 0.000 0.000 0.275 379 L C 1.550 178.234 176.870 -0.310 0.000 1.022 379 L CA -0.651 53.937 54.840 -0.420 0.000 0.812 379 L CB 1.417 43.251 42.059 -0.375 0.000 1.257 379 L HN 0.057 nan 8.230 nan 0.000 0.435 380 R N 1.741 122.101 120.500 -0.234 0.000 2.133 380 R HA -0.221 4.119 4.340 0.000 0.000 0.247 380 R C 1.888 178.064 176.300 -0.207 0.000 1.151 380 R CA 1.754 57.748 56.100 -0.177 0.000 0.971 380 R CB -0.375 29.852 30.300 -0.121 0.000 0.866 380 R HN 0.843 nan 8.270 nan 0.000 0.447 381 A N 0.384 123.018 122.820 -0.310 0.000 2.172 381 A HA -0.106 4.214 4.320 0.000 0.000 0.216 381 A C 0.571 177.839 177.584 -0.526 0.000 1.154 381 A CA 1.036 52.820 52.037 -0.422 0.000 0.701 381 A CB -0.091 18.599 19.000 -0.517 0.000 0.789 381 A HN 0.333 nan 8.150 nan 0.000 0.465 382 H N -2.139 116.866 119.070 -0.109 0.000 2.665 382 H HA 0.290 4.846 4.556 0.000 0.000 0.248 382 H C -0.203 175.050 175.328 -0.125 0.000 1.175 382 H CA -0.450 55.536 56.048 -0.103 0.000 0.952 382 H CB -0.371 29.330 29.762 -0.101 0.000 1.883 382 H HN 0.430 nan 8.280 nan 0.000 0.623 383 M N 3.719 123.279 119.600 -0.066 0.000 2.185 383 M HA 0.229 4.709 4.480 0.000 0.000 0.357 383 M C -2.119 174.156 176.300 -0.043 0.000 1.260 383 M CA -1.340 53.910 55.300 -0.083 0.000 1.124 383 M CB 1.008 33.544 32.600 -0.106 0.000 1.600 383 M HN -0.054 nan 8.290 nan 0.000 0.467 384 P HA 0.201 nan 4.420 nan 0.000 0.272 384 P C -1.228 176.056 177.300 -0.026 0.000 1.223 384 P CA -0.404 62.681 63.100 -0.025 0.000 0.784 384 P CB 0.451 32.136 31.700 -0.026 0.000 0.923 385 A N 1.549 124.358 122.820 -0.018 0.000 2.511 385 A HA 0.540 4.861 4.320 0.000 0.000 0.242 385 A C 0.703 178.280 177.584 -0.012 0.000 1.069 385 A CA 0.729 52.759 52.037 -0.012 0.000 0.763 385 A CB -0.747 18.249 19.000 -0.007 0.000 1.001 385 A HN 0.851 nan 8.150 nan 0.000 0.498 386 G N 1.042 109.841 108.800 -0.001 0.000 2.443 386 G HA2 0.402 4.363 3.960 0.000 0.000 0.303 386 G HA3 0.402 4.363 3.960 0.000 0.000 0.303 386 G C -0.894 174.033 174.900 0.044 0.000 1.613 386 G CA -0.684 44.419 45.100 0.005 0.000 0.879 386 G HN 0.911 nan 8.290 nan 0.000 0.632 387 E N 0.900 121.159 120.200 0.099 0.000 2.465 387 E HA 0.056 4.406 4.350 0.000 0.000 0.260 387 E C 1.151 177.902 176.600 0.251 0.000 0.980 387 E CA 0.653 57.169 56.400 0.193 0.000 0.927 387 E CB 0.198 30.088 29.700 0.317 0.000 0.934 387 E HN 0.667 nan 8.360 nan 0.000 0.459 388 N N 2.889 121.698 118.700 0.182 0.000 2.690 388 N HA -0.268 4.472 4.740 0.000 0.000 0.249 388 N C -1.055 174.525 175.510 0.116 0.000 1.125 388 N CA 1.060 54.211 53.050 0.168 0.000 0.794 388 N CB -1.074 37.566 38.487 0.256 0.000 1.152 388 N HN 0.479 nan 8.380 nan 0.000 0.571 389 N N 0.489 119.228 118.700 0.065 0.000 2.407 389 N HA 0.273 5.013 4.740 0.000 0.000 0.250 389 N C -0.026 175.491 175.510 0.012 0.000 1.236 389 N CA 0.470 53.527 53.050 0.012 0.000 0.879 389 N CB 0.444 38.922 38.487 -0.015 0.000 1.088 389 N HN 0.458 nan 8.380 nan 0.000 0.450 390 I N -0.048 120.522 120.570 0.001 0.000 2.934 390 I HA 0.425 4.595 4.170 0.000 0.000 0.306 390 I C -0.547 175.546 176.117 -0.039 0.000 1.110 390 I CA -0.658 60.643 61.300 0.003 0.000 1.019 390 I CB 1.576 39.608 38.000 0.054 0.000 1.227 390 I HN 0.613 nan 8.210 nan 0.000 0.434 391 S N 3.860 119.522 115.700 -0.064 0.000 2.578 391 S HA 0.386 4.856 4.470 0.000 0.000 0.301 391 S C 0.735 175.277 174.600 -0.097 0.000 1.091 391 S CA -0.723 57.389 58.200 -0.146 0.000 1.032 391 S CB 1.895 64.978 63.200 -0.195 0.000 1.064 391 S HN 0.466 nan 8.310 nan 0.000 0.508 392 V N 1.759 121.576 119.914 -0.161 0.000 2.252 392 V HA -0.239 3.881 4.120 0.000 0.000 0.249 392 V C 2.807 178.894 176.094 -0.011 0.000 1.056 392 V CA 2.672 64.937 62.300 -0.058 0.000 1.022 392 V CB -1.195 30.547 31.823 -0.134 0.000 0.641 392 V HN 1.120 nan 8.190 nan 0.000 0.445 393 E N -0.010 120.085 120.200 -0.176 0.000 2.108 393 E HA -0.354 3.996 4.350 0.000 0.000 0.203 393 E C 2.233 178.883 176.600 0.083 0.000 1.022 393 E CA 2.304 58.707 56.400 0.004 0.000 0.823 393 E CB -0.332 29.287 29.700 -0.134 0.000 0.744 393 E HN 0.731 nan 8.360 nan 0.000 0.456 394 E N -0.120 120.083 120.200 0.005 0.000 2.106 394 E HA -0.190 4.160 4.350 0.000 0.000 0.192 394 E C 2.178 178.762 176.600 -0.027 0.000 0.984 394 E CA 1.253 57.645 56.400 -0.013 0.000 0.806 394 E CB -0.110 29.587 29.700 -0.004 0.000 0.750 394 E HN 0.418 nan 8.360 nan 0.000 0.458 395 I N 0.326 120.944 120.570 0.081 0.000 2.179 395 I HA -0.272 3.898 4.170 0.000 0.000 0.242 395 I C 2.390 178.514 176.117 0.012 0.000 1.088 395 I CA 0.729 62.121 61.300 0.153 0.000 1.357 395 I CB -0.168 37.999 38.000 0.279 0.000 1.051 395 I HN 0.030 nan 8.210 nan 0.000 0.409 396 V N 0.465 120.455 119.914 0.127 0.000 2.295 396 V HA -0.303 3.818 4.120 0.000 0.000 0.246 396 V C 2.379 178.466 176.094 -0.012 0.000 1.049 396 V CA 2.004 64.399 62.300 0.158 0.000 1.024 396 V CB -0.690 31.369 31.823 0.394 0.000 0.648 396 V HN 0.422 nan 8.190 nan 0.000 0.447 397 E N 0.299 120.472 120.200 -0.045 0.000 2.049 397 E HA -0.221 4.129 4.350 0.000 0.000 0.198 397 E C 2.325 178.727 176.600 -0.330 0.000 1.007 397 E CA 1.534 57.856 56.400 -0.129 0.000 0.809 397 E CB -0.660 28.975 29.700 -0.108 0.000 0.749 397 E HN 0.636 nan 8.360 nan 0.000 0.450 398 G N -0.296 108.067 108.800 -0.729 0.000 2.442 398 G HA2 -0.266 3.694 3.960 0.000 0.000 0.219 398 G HA3 -0.266 3.694 3.960 0.000 0.000 0.219 398 G C 1.107 175.413 174.900 -0.990 0.000 1.141 398 G CA 0.979 45.238 45.100 -1.402 0.000 0.763 398 G HN 0.190 nan 8.290 nan 0.000 0.554 399 Y N 0.393 120.271 120.300 -0.704 0.000 2.206 399 Y HA 0.018 4.569 4.550 0.000 0.000 0.292 399 Y C 3.192 179.075 175.900 -0.028 0.000 1.123 399 Y CA 1.398 59.306 58.100 -0.321 0.000 1.142 399 Y CB -0.428 37.570 38.460 -0.770 0.000 1.006 399 Y HN 0.219 nan 8.280 nan 0.000 0.518 400 Q N -0.306 119.546 119.800 0.087 0.000 2.079 400 Q HA -0.168 4.172 4.340 0.000 0.000 0.200 400 Q C 1.846 177.880 176.000 0.057 0.000 0.974 400 Q CA 1.266 57.134 55.803 0.107 0.000 0.840 400 Q CB -0.175 28.614 28.738 0.085 0.000 0.898 400 Q HN 0.409 nan 8.270 nan 0.000 0.430 401 N N 0.733 119.428 118.700 -0.008 0.000 2.223 401 N HA -0.096 4.644 4.740 0.000 0.000 0.185 401 N C 0.834 176.352 175.510 0.013 0.000 1.016 401 N CA 0.889 53.928 53.050 -0.019 0.000 0.863 401 N CB -0.125 38.322 38.487 -0.067 0.000 0.983 401 N HN 0.217 nan 8.380 nan 0.000 0.429 402 N N 0.994 119.735 118.700 0.069 0.000 2.268 402 N HA -0.022 4.718 4.740 0.000 0.000 0.204 402 N C -0.331 175.232 175.510 0.090 0.000 1.124 402 N CA -0.021 53.107 53.050 0.131 0.000 0.838 402 N CB -0.152 38.499 38.487 0.273 0.000 0.994 402 N HN 0.187 nan 8.380 nan 0.000 0.489 403 N N 0.412 119.171 118.700 0.098 0.000 2.725 403 N HA -0.234 4.506 4.740 0.000 0.000 0.251 403 N C -1.303 174.199 175.510 -0.013 0.000 1.031 403 N CA 0.262 53.336 53.050 0.040 0.000 0.720 403 N CB -1.867 36.605 38.487 -0.024 0.000 0.930 403 N HN 0.094 nan 8.380 nan 0.000 0.543 404 F N 0.153 120.172 119.950 0.115 0.000 2.412 404 F HA 0.367 4.894 4.527 0.000 0.000 0.348 404 F C -1.367 174.480 175.800 0.078 0.000 1.102 404 F CA -1.848 56.235 58.000 0.137 0.000 1.196 404 F CB 0.773 39.967 39.000 0.323 0.000 1.144 404 F HN 0.070 nan 8.300 nan 0.000 0.541 405 P HA 0.036 nan 4.420 nan 0.000 0.270 405 P C -1.047 176.262 177.300 0.014 0.000 1.242 405 P CA 0.334 63.302 63.100 -0.219 0.000 0.768 405 P CB 0.083 31.279 31.700 -0.841 0.000 0.820 406 F N 3.132 123.039 119.950 -0.073 0.000 2.573 406 F HA 0.346 4.873 4.527 0.000 0.000 0.316 406 F C 0.855 176.585 175.800 -0.117 0.000 1.148 406 F CA -0.921 57.045 58.000 -0.058 0.000 0.940 406 F CB 2.250 41.201 39.000 -0.081 0.000 1.214 406 F HN 0.117 nan 8.300 nan 0.000 0.448 407 E N 3.172 122.817 120.200 -0.924 0.000 2.216 407 E HA 0.490 4.840 4.350 0.000 0.000 0.192 407 E C 0.687 176.646 176.600 -1.068 0.000 0.973 407 E CA 1.123 56.989 56.400 -0.890 0.000 0.851 407 E CB 0.393 29.414 29.700 -1.132 0.000 0.804 407 E HN 1.003 nan 8.360 nan 0.000 0.477 408 G N -1.212 106.645 108.800 -1.573 0.000 2.350 408 G HA2 0.197 4.157 3.960 0.000 0.000 0.276 408 G HA3 0.197 4.157 3.960 0.000 0.000 0.276 408 G C -1.690 173.008 174.900 -0.337 0.000 1.313 408 G CA -0.598 44.038 45.100 -0.774 0.000 0.903 408 G HN 0.053 nan 8.290 nan 0.000 0.490 409 L N 0.119 121.422 121.223 0.132 0.000 2.341 409 L HA 0.807 5.147 4.340 0.000 0.000 0.267 409 L C 0.479 177.409 176.870 0.099 0.000 1.009 409 L CA -0.909 54.044 54.840 0.189 0.000 0.819 409 L CB 2.368 44.577 42.059 0.251 0.000 1.323 409 L HN 1.027 nan 8.230 nan 0.000 0.425 410 A N 2.059 124.841 122.820 -0.065 0.000 2.444 410 A HA 0.595 4.915 4.320 0.000 0.000 0.332 410 A C -0.504 177.115 177.584 0.059 0.000 1.430 410 A CA -0.448 51.405 52.037 -0.307 0.000 0.975 410 A CB 0.156 18.506 19.000 -1.083 0.000 1.147 410 A HN 0.374 nan 8.150 nan 0.000 0.524 411 V N 3.922 123.978 119.914 0.236 0.000 2.427 411 V HA 0.086 4.206 4.120 0.000 0.000 0.268 411 V C 0.497 176.771 176.094 0.301 0.000 1.046 411 V CA -0.312 62.147 62.300 0.265 0.000 0.970 411 V CB 0.681 32.639 31.823 0.225 0.000 1.001 411 V HN 0.863 nan 8.190 nan 0.000 0.476 412 D N 2.748 123.306 120.400 0.263 0.000 2.433 412 D HA 0.134 4.774 4.640 0.000 0.000 0.255 412 D C 1.396 177.594 176.300 -0.169 0.000 1.226 412 D CA -0.102 53.941 54.000 0.071 0.000 1.015 412 D CB 1.861 42.834 40.800 0.288 0.000 1.091 412 D HN 0.374 nan 8.370 nan 0.000 0.527 413 V N -0.881 118.840 119.914 -0.322 0.000 2.944 413 V HA -0.195 3.925 4.120 0.000 0.000 0.265 413 V C 1.305 177.242 176.094 -0.260 0.000 1.125 413 V CA 1.483 63.575 62.300 -0.346 0.000 1.145 413 V CB -0.485 31.029 31.823 -0.515 0.000 0.725 413 V HN 0.355 nan 8.190 nan 0.000 0.510 414 D N 1.750 122.056 120.400 -0.155 0.000 2.158 414 D HA -0.251 4.389 4.640 0.000 0.000 0.197 414 D C 2.107 178.095 176.300 -0.520 0.000 0.995 414 D CA 2.482 56.377 54.000 -0.176 0.000 0.846 414 D CB -0.201 40.601 40.800 0.003 0.000 0.941 414 D HN 0.790 nan 8.370 nan 0.000 0.456 415 M N -0.378 118.678 119.600 -0.907 0.000 2.506 415 M HA 0.052 4.532 4.480 0.000 0.000 0.260 415 M C 0.737 176.686 176.300 -0.586 0.000 1.104 415 M CA 0.501 54.934 55.300 -1.444 0.000 1.112 415 M CB 0.052 31.811 32.600 -1.401 0.000 1.401 415 M HN -0.269 nan 8.290 nan 0.000 0.473 416 Q N 2.204 121.777 119.800 -0.378 0.000 2.454 416 Q HA 0.039 4.379 4.340 0.000 0.000 0.247 416 Q C -0.551 175.346 176.000 -0.172 0.000 1.028 416 Q CA -0.225 55.439 55.803 -0.232 0.000 0.910 416 Q CB 0.457 29.058 28.738 -0.229 0.000 1.276 416 Q HN 0.204 nan 8.270 nan 0.000 0.489 417 D N 1.942 122.267 120.400 -0.125 0.000 2.342 417 D HA -0.054 4.586 4.640 0.000 0.000 0.260 417 D C -0.277 175.936 176.300 -0.145 0.000 1.278 417 D CA 0.054 53.991 54.000 -0.105 0.000 0.910 417 D CB -0.108 40.646 40.800 -0.077 0.000 1.079 417 D HN 0.425 nan 8.370 nan 0.000 0.496 418 N N 4.586 123.215 118.700 -0.119 0.000 2.770 418 N HA -0.261 4.479 4.740 0.000 0.000 0.283 418 N C 0.392 175.812 175.510 -0.150 0.000 1.009 418 N CA 0.784 53.764 53.050 -0.115 0.000 0.828 418 N CB -0.829 37.604 38.487 -0.089 0.000 0.939 418 N HN 0.678 nan 8.380 nan 0.000 0.580 419 L N -3.059 118.066 121.223 -0.163 0.000 4.937 419 L HA -0.361 3.979 4.340 0.000 0.000 0.422 419 L C 0.285 177.027 176.870 -0.213 0.000 1.059 419 L CA 0.998 55.742 54.840 -0.160 0.000 1.111 419 L CB -1.297 40.712 42.059 -0.083 0.000 2.033 419 L HN 0.454 nan 8.230 nan 0.000 0.708 420 R N 0.603 120.913 120.500 -0.317 0.000 2.298 420 R HA 0.491 4.831 4.340 0.000 0.000 0.310 420 R C 0.132 176.287 176.300 -0.242 0.000 1.068 420 R CA -0.340 55.448 56.100 -0.519 0.000 0.957 420 R CB 1.993 31.733 30.300 -0.933 0.000 1.003 420 R HN 0.037 nan 8.270 nan 0.000 0.454 421 V N 4.869 124.731 119.914 -0.086 0.000 2.686 421 V HA 0.186 4.306 4.120 0.000 0.000 0.295 421 V C 0.034 176.096 176.094 -0.053 0.000 1.057 421 V CA 0.042 62.231 62.300 -0.186 0.000 1.012 421 V CB -0.010 31.642 31.823 -0.285 0.000 1.006 421 V HN 0.899 nan 8.190 nan 0.000 0.477 422 F N 1.944 121.826 119.950 -0.115 0.000 2.840 422 F HA -0.171 4.356 4.527 0.000 0.000 0.310 422 F C 0.686 176.463 175.800 -0.038 0.000 0.688 422 F CA 1.026 58.933 58.000 -0.155 0.000 1.286 422 F CB -2.541 36.302 39.000 -0.262 0.000 1.612 422 F HN 0.789 nan 8.300 nan 0.000 0.335 423 T N -2.340 112.272 114.554 0.095 0.000 2.930 423 T HA 0.823 5.173 4.350 0.000 0.000 0.290 423 T C 0.040 174.764 174.700 0.042 0.000 1.052 423 T CA -0.041 62.113 62.100 0.090 0.000 1.017 423 T CB 2.896 71.803 68.868 0.064 0.000 1.137 423 T HN 0.358 nan 8.240 nan 0.000 0.511 424 T N -1.229 113.385 114.554 0.100 0.000 2.930 424 T HA 0.733 5.083 4.350 0.000 0.000 0.290 424 T C -0.638 174.122 174.700 0.101 0.000 1.052 424 T CA -1.132 61.034 62.100 0.111 0.000 1.017 424 T CB 1.648 70.725 68.868 0.350 0.000 1.137 424 T HN 1.057 nan 8.240 nan 0.000 0.511 425 K N -0.008 120.451 120.400 0.099 0.000 2.166 425 K HA 0.678 4.998 4.320 0.000 0.000 0.245 425 K C 1.490 178.229 176.600 0.232 0.000 0.967 425 K CA -0.817 55.536 56.287 0.110 0.000 0.863 425 K CB 1.066 33.599 32.500 0.057 0.000 1.107 425 K HN 0.636 nan 8.250 nan 0.000 0.436 426 G N 1.553 110.409 108.800 0.094 0.000 2.547 426 G HA2 -0.334 3.626 3.960 0.000 0.000 0.221 426 G HA3 -0.334 3.626 3.960 0.000 0.000 0.221 426 G C 0.977 175.980 174.900 0.171 0.000 1.140 426 G CA 1.178 46.315 45.100 0.062 0.000 0.760 426 G HN 0.835 nan 8.290 nan 0.000 0.583 427 E N -0.244 120.052 120.200 0.160 0.000 2.219 427 E HA -0.067 4.283 4.350 0.000 0.000 0.198 427 E C 1.373 177.963 176.600 -0.016 0.000 0.998 427 E CA 0.625 57.070 56.400 0.075 0.000 0.818 427 E CB -0.278 29.460 29.700 0.063 0.000 0.741 427 E HN 0.601 nan 8.360 nan 0.000 0.477 428 F N -1.217 118.766 119.950 0.055 0.000 2.713 428 F HA 0.206 4.733 4.527 0.000 0.000 0.294 428 F C -0.335 175.354 175.800 -0.184 0.000 1.152 428 F CA -0.396 57.545 58.000 -0.098 0.000 1.385 428 F CB 0.235 39.135 39.000 -0.167 0.000 0.981 428 F HN -0.102 nan 8.300 nan 0.000 0.514 429 W N -0.339 120.933 121.300 -0.047 0.000 2.844 429 W HA 0.283 4.943 4.660 0.000 0.000 0.340 429 W C 1.447 177.935 176.519 -0.052 0.000 1.093 429 W CA -0.902 56.415 57.345 -0.047 0.000 1.212 429 W CB 1.100 30.550 29.460 -0.018 0.000 1.422 429 W HN -0.132 nan 8.180 nan 0.000 0.515 430 T N -1.369 113.289 114.554 0.174 0.000 2.684 430 T HA -0.201 4.149 4.350 0.000 0.000 0.267 430 T C 1.536 176.368 174.700 0.220 0.000 1.036 430 T CA 1.649 63.828 62.100 0.132 0.000 1.148 430 T CB -0.516 68.447 68.868 0.158 0.000 0.863 430 T HN 0.476 nan 8.240 nan 0.000 0.436 431 A N 1.252 124.190 122.820 0.196 0.000 2.276 431 A HA 0.327 4.647 4.320 0.000 0.000 0.212 431 A C 1.123 178.668 177.584 -0.065 0.000 1.230 431 A CA 0.452 52.551 52.037 0.102 0.000 0.844 431 A CB -1.210 17.840 19.000 0.083 0.000 0.860 431 A HN 0.620 nan 8.150 nan 0.000 0.486 432 N N -0.578 118.071 118.700 -0.086 0.000 2.725 432 N HA -0.204 4.536 4.740 0.000 0.000 0.249 432 N C -0.150 175.263 175.510 -0.162 0.000 1.103 432 N CA 1.549 54.443 53.050 -0.260 0.000 0.707 432 N CB -1.190 36.775 38.487 -0.871 0.000 1.043 432 N HN 0.889 nan 8.380 nan 0.000 0.553 433 R N -2.930 117.500 120.500 -0.116 0.000 2.680 433 R HA 0.627 4.967 4.340 0.000 0.000 0.269 433 R C -1.073 174.914 176.300 -0.521 0.000 1.026 433 R CA -1.059 54.905 56.100 -0.227 0.000 0.889 433 R CB 0.853 31.038 30.300 -0.191 0.000 1.241 433 R HN -0.123 nan 8.270 nan 0.000 0.463 434 V N 1.958 121.487 119.914 -0.640 0.000 2.439 434 V HA 0.393 4.513 4.120 0.000 0.000 0.271 434 V C 0.784 176.236 176.094 -1.070 0.000 1.040 434 V CA 0.503 62.122 62.300 -1.136 0.000 1.002 434 V CB 0.757 32.249 31.823 -0.551 0.000 1.000 434 V HN 0.875 nan 8.190 nan 0.000 0.477 435 G N 2.901 110.602 108.800 -1.832 0.000 2.521 435 G HA2 0.484 4.444 3.960 0.000 0.000 0.323 435 G HA3 0.484 4.444 3.960 0.000 0.000 0.323 435 G C 0.746 175.428 174.900 -0.364 0.000 1.211 435 G CA 0.193 44.779 45.100 -0.856 0.000 0.979 435 G HN 0.696 nan 8.290 nan 0.000 0.490 436 T N -2.272 112.263 114.554 -0.032 0.000 3.107 436 T HA 0.454 4.804 4.350 0.000 0.000 0.249 436 T C 1.145 175.993 174.700 0.246 0.000 1.096 436 T CA 0.637 62.799 62.100 0.103 0.000 1.012 436 T CB -0.309 68.594 68.868 0.059 0.000 0.977 436 T HN 2.142 nan 8.240 nan 0.000 0.527 437 G N -0.112 108.922 108.800 0.390 0.000 2.721 437 G HA2 0.381 4.341 3.960 0.000 0.000 0.686 437 G HA3 0.381 4.341 3.960 0.000 0.000 0.686 437 G C 0.617 175.664 174.900 0.244 0.000 1.236 437 G CA -0.347 44.981 45.100 0.380 0.000 0.786 437 G HN 1.458 nan 8.290 nan 0.000 0.616 438 G N 0.122 109.054 108.800 0.220 0.000 2.179 438 G HA2 -0.067 3.893 3.960 0.000 0.000 0.260 438 G HA3 -0.067 3.893 3.960 0.000 0.000 0.260 438 G C 0.305 175.292 174.900 0.145 0.000 0.977 438 G CA 1.237 46.433 45.100 0.161 0.000 0.641 438 G HN 1.891 nan 8.290 nan 0.000 0.533 439 D N 1.028 121.532 120.400 0.173 0.000 2.339 439 D HA 0.428 5.069 4.640 0.000 0.000 0.241 439 D C -0.074 176.315 176.300 0.148 0.000 1.183 439 D CA -1.956 52.131 54.000 0.144 0.000 0.859 439 D CB 1.340 42.225 40.800 0.142 0.000 1.067 439 D HN 0.155 nan 8.370 nan 0.000 0.484 440 P HA -0.088 nan 4.420 nan 0.000 0.222 440 P C 0.394 177.764 177.300 0.115 0.000 1.147 440 P CA 0.629 63.794 63.100 0.108 0.000 0.790 440 P CB 0.472 32.220 31.700 0.080 0.000 0.780 441 N N -0.586 118.181 118.700 0.111 0.000 2.353 441 N HA -0.007 4.733 4.740 0.000 0.000 0.185 441 N C 0.135 175.728 175.510 0.138 0.000 1.098 441 N CA 0.467 53.582 53.050 0.108 0.000 0.872 441 N CB -0.282 38.253 38.487 0.079 0.000 0.970 441 N HN 0.150 nan 8.380 nan 0.000 0.467 442 N N 0.628 119.438 118.700 0.183 0.000 2.621 442 N HA 0.184 4.924 4.740 0.000 0.000 0.271 442 N C -1.441 174.314 175.510 0.409 0.000 1.181 442 N CA -0.299 52.912 53.050 0.268 0.000 0.805 442 N CB 0.739 39.357 38.487 0.218 0.000 1.351 442 N HN -0.149 nan 8.380 nan 0.000 0.539 443 R N 1.097 121.784 120.500 0.311 0.000 2.312 443 R HA 0.391 4.731 4.340 0.000 0.000 0.311 443 R C 0.402 176.627 176.300 -0.126 0.000 1.004 443 R CA -0.616 55.590 56.100 0.177 0.000 0.902 443 R CB 1.037 31.454 30.300 0.195 0.000 1.073 443 R HN 0.662 nan 8.270 nan 0.000 0.457 444 S N 1.434 116.713 115.700 -0.701 0.000 2.580 444 S HA -0.049 4.421 4.470 0.000 0.000 0.266 444 S C 1.440 175.637 174.600 -0.672 0.000 1.354 444 S CA -0.548 56.775 58.200 -1.461 0.000 1.008 444 S CB 1.280 63.659 63.200 -1.370 0.000 0.898 444 S HN 0.478 nan 8.310 nan 0.000 0.555 445 V N 1.959 121.413 119.914 -0.768 0.000 2.317 445 V HA -0.180 3.940 4.120 0.000 0.000 0.251 445 V C 1.863 177.800 176.094 -0.261 0.000 1.065 445 V CA 2.323 64.332 62.300 -0.484 0.000 1.049 445 V CB -1.208 30.295 31.823 -0.533 0.000 0.651 445 V HN 0.838 nan 8.190 nan 0.000 0.450 446 F N 0.932 120.785 119.950 -0.162 0.000 2.146 446 F HA -0.047 4.480 4.527 0.000 0.000 0.298 446 F C 2.494 178.071 175.800 -0.372 0.000 1.096 446 F CA 1.743 59.602 58.000 -0.234 0.000 1.275 446 F CB -1.142 37.733 39.000 -0.210 0.000 1.008 446 F HN 0.262 nan 8.300 nan 0.000 0.480 447 E N -1.106 119.067 120.200 -0.045 0.000 2.077 447 E HA -0.258 4.092 4.350 0.000 0.000 0.193 447 E C 2.017 178.685 176.600 0.113 0.000 0.989 447 E CA 1.308 57.733 56.400 0.043 0.000 0.800 447 E CB -0.544 29.206 29.700 0.083 0.000 0.746 447 E HN 0.544 nan 8.360 nan 0.000 0.452 448 W N 1.591 122.845 121.300 -0.077 0.000 2.335 448 W HA -0.215 4.445 4.660 0.000 0.000 0.311 448 W C 2.394 178.918 176.519 0.007 0.000 1.213 448 W CA 2.224 59.550 57.345 -0.032 0.000 1.274 448 W CB -0.252 29.164 29.460 -0.074 0.000 1.148 448 W HN 0.020 nan 8.180 nan 0.000 0.498 449 A N -0.897 122.055 122.820 0.219 0.000 1.930 449 A HA -0.200 4.120 4.320 0.000 0.000 0.217 449 A C 1.632 179.243 177.584 0.046 0.000 1.175 449 A CA 1.859 53.959 52.037 0.104 0.000 0.627 449 A CB -1.325 17.817 19.000 0.237 0.000 0.815 449 A HN 0.613 nan 8.150 nan 0.000 0.443 450 H N -0.327 118.783 119.070 0.066 0.000 2.319 450 H HA -0.148 4.408 4.556 0.000 0.000 0.297 450 H C 1.357 176.665 175.328 -0.034 0.000 1.097 450 H CA 1.076 57.149 56.048 0.041 0.000 1.285 450 H CB 0.044 29.849 29.762 0.073 0.000 1.368 450 H HN 0.404 nan 8.280 nan 0.000 0.495 451 D N 0.358 120.780 120.400 0.036 0.000 2.263 451 D HA -0.091 4.549 4.640 0.000 0.000 0.208 451 D C 1.465 177.661 176.300 -0.173 0.000 0.971 451 D CA 0.900 54.851 54.000 -0.081 0.000 0.867 451 D CB 0.013 40.734 40.800 -0.132 0.000 0.929 451 D HN 0.301 nan 8.370 nan 0.000 0.492 452 K N -0.431 119.817 120.400 -0.253 0.000 2.404 452 K HA 0.172 4.492 4.320 0.000 0.000 0.194 452 K C 1.108 177.663 176.600 -0.075 0.000 1.023 452 K CA 0.368 56.511 56.287 -0.241 0.000 1.094 452 K CB 1.054 33.300 32.500 -0.422 0.000 0.841 452 K HN 0.141 nan 8.250 nan 0.000 0.523 453 G N 1.521 110.310 108.800 -0.018 0.000 2.141 453 G HA2 -0.239 3.722 3.960 0.000 0.000 0.242 453 G HA3 -0.239 3.722 3.960 0.000 0.000 0.242 453 G C 0.130 175.055 174.900 0.041 0.000 0.982 453 G CA 0.032 45.153 45.100 0.035 0.000 0.662 453 G HN 0.186 nan 8.290 nan 0.000 0.527 454 L N -0.384 120.860 121.223 0.036 0.000 2.416 454 L HA 0.888 5.228 4.340 0.000 0.000 0.263 454 L C 0.840 177.750 176.870 0.067 0.000 1.065 454 L CA -1.165 53.663 54.840 -0.020 0.000 0.798 454 L CB 1.590 43.637 42.059 -0.020 0.000 1.267 454 L HN 0.351 nan 8.230 nan 0.000 0.467 455 V N -2.779 117.121 119.914 -0.023 0.000 3.049 455 V HA 0.679 4.799 4.120 0.000 0.000 0.309 455 V C -1.004 175.197 176.094 0.179 0.000 1.148 455 V CA -0.835 61.475 62.300 0.016 0.000 0.990 455 V CB 1.579 33.142 31.823 -0.434 0.000 1.039 455 V HN 0.850 nan 8.190 nan 0.000 0.430 456 C N 3.138 122.550 119.300 0.186 0.000 2.698 456 C HA 0.742 5.202 4.460 0.000 0.000 0.309 456 C C -0.204 174.685 174.990 -0.169 0.000 1.186 456 C CA -0.617 58.493 59.018 0.154 0.000 1.474 456 C CB 1.639 29.545 27.740 0.277 0.000 2.020 456 C HN 1.123 nan 8.230 nan 0.000 0.474 457 Q N 1.012 120.451 119.800 -0.601 0.000 2.214 457 Q HA 0.744 5.084 4.340 0.000 0.000 0.251 457 Q C -0.756 175.097 176.000 -0.245 0.000 0.936 457 Q CA -0.076 55.163 55.803 -0.941 0.000 0.894 457 Q CB 1.702 29.462 28.738 -1.630 0.000 1.252 457 Q HN 0.646 nan 8.270 nan 0.000 0.448 458 T N 1.135 115.628 114.554 -0.101 0.000 2.900 458 T HA 0.220 4.570 4.350 0.000 0.000 0.295 458 T C -0.773 173.929 174.700 0.004 0.000 1.044 458 T CA -0.799 61.371 62.100 0.117 0.000 0.995 458 T CB 1.305 70.290 68.868 0.195 0.000 1.072 458 T HN 0.701 nan 8.240 nan 0.000 0.473 459 N N 4.223 122.793 118.700 -0.217 0.000 2.438 459 N HA 0.097 4.837 4.740 0.000 0.000 0.267 459 N C -0.917 174.314 175.510 -0.465 0.000 1.222 459 N CA 0.202 52.810 53.050 -0.737 0.000 0.930 459 N CB 0.069 37.876 38.487 -1.133 0.000 1.083 459 N HN 0.439 nan 8.380 nan 0.000 0.476 460 I N 3.183 123.543 120.570 -0.351 0.000 2.439 460 I HA 0.152 4.322 4.170 0.000 0.000 0.283 460 I C 0.698 176.804 176.117 -0.018 0.000 1.023 460 I CA -0.567 60.596 61.300 -0.228 0.000 1.100 460 I CB 0.904 38.808 38.000 -0.161 0.000 1.238 460 I HN 0.419 nan 8.210 nan 0.000 0.445 461 T N 1.076 115.649 114.554 0.032 0.000 2.948 461 T HA 0.320 4.670 4.350 0.000 0.000 0.285 461 T C 0.989 175.949 174.700 0.434 0.000 1.019 461 T CA -0.668 61.578 62.100 0.245 0.000 1.013 461 T CB 1.821 70.814 68.868 0.210 0.000 1.117 461 T HN 0.719 nan 8.240 nan 0.000 0.533 462 C N -0.473 119.098 119.300 0.452 0.000 2.625 462 C HA 0.493 4.953 4.460 0.000 0.000 0.285 462 C C 0.502 175.657 174.990 0.275 0.000 1.279 462 C CA -1.201 58.009 59.018 0.321 0.000 1.698 462 C CB -2.430 25.419 27.740 0.181 0.000 1.821 462 C HN 0.668 nan 8.230 nan 0.000 0.600 463 F N 2.733 122.745 119.950 0.104 0.000 2.462 463 F HA 0.352 4.879 4.527 0.000 0.000 0.360 463 F C 0.433 176.188 175.800 -0.075 0.000 1.134 463 F CA -0.422 57.486 58.000 -0.154 0.000 1.148 463 F CB 0.459 39.409 39.000 -0.084 0.000 1.147 463 F HN -0.003 nan 8.300 nan 0.000 0.550 464 L N 4.900 126.120 121.223 -0.005 0.000 2.288 464 L HA 0.263 4.603 4.340 0.000 0.000 0.283 464 L C 0.510 177.478 176.870 0.164 0.000 1.072 464 L CA -0.458 54.514 54.840 0.219 0.000 0.862 464 L CB 0.447 42.682 42.059 0.293 0.000 1.245 464 L HN 0.575 nan 8.230 nan 0.000 0.432 465 R N 1.940 122.533 120.500 0.154 0.000 2.486 465 R HA -0.178 4.162 4.340 0.000 0.000 0.304 465 R C 0.894 177.242 176.300 0.081 0.000 0.913 465 R CA 0.556 56.665 56.100 0.014 0.000 1.124 465 R CB 0.224 30.430 30.300 -0.158 0.000 0.891 465 R HN 0.566 nan 8.270 nan 0.000 0.410 466 N N 1.728 120.434 118.700 0.009 0.000 2.322 466 N HA -0.045 4.695 4.740 0.000 0.000 0.181 466 N C -1.075 174.439 175.510 0.007 0.000 1.088 466 N CA 0.239 53.291 53.050 0.004 0.000 0.885 466 N CB 0.496 38.952 38.487 -0.051 0.000 1.013 466 N HN 0.665 nan 8.380 nan 0.000 0.472 467 D N -0.509 119.894 120.400 0.005 0.000 2.467 467 D HA 0.168 4.808 4.640 0.000 0.000 0.220 467 D C -0.378 175.922 176.300 0.001 0.000 1.103 467 D CA -0.308 53.697 54.000 0.009 0.000 0.886 467 D CB 0.466 41.279 40.800 0.022 0.000 1.025 467 D HN 0.009 nan 8.370 nan 0.000 0.514 468 N N 1.672 120.379 118.700 0.011 0.000 2.184 468 N HA -0.035 4.705 4.740 0.000 0.000 0.206 468 N C -0.365 175.149 175.510 0.007 0.000 1.151 468 N CA -0.106 52.950 53.050 0.011 0.000 0.878 468 N CB 0.497 39.018 38.487 0.057 0.000 1.014 468 N HN 0.510 nan 8.380 nan 0.000 0.512 469 E N 0.066 120.269 120.200 0.006 0.000 2.297 469 E HA -0.244 4.106 4.350 0.000 0.000 0.228 469 E C 0.823 177.426 176.600 0.004 0.000 1.213 469 E CA 0.400 56.802 56.400 0.003 0.000 0.712 469 E CB -1.628 28.071 29.700 -0.002 0.000 1.202 469 E HN 0.518 nan 8.360 nan 0.000 0.376 470 G N -0.759 108.046 108.800 0.009 0.000 2.245 470 G HA2 -0.375 3.585 3.960 0.000 0.000 0.264 470 G HA3 -0.375 3.585 3.960 0.000 0.000 0.264 470 G C 0.111 175.019 174.900 0.014 0.000 0.985 470 G CA 0.562 45.668 45.100 0.010 0.000 0.625 470 G HN 0.282 nan 8.290 nan 0.000 0.536 471 Q N 1.614 121.424 119.800 0.017 0.000 2.296 471 Q HA 0.330 4.670 4.340 0.000 0.000 0.257 471 Q C -0.460 175.570 176.000 0.051 0.000 0.942 471 Q CA -0.453 55.363 55.803 0.022 0.000 0.939 471 Q CB 1.149 29.891 28.738 0.008 0.000 1.198 471 Q HN 0.396 nan 8.270 nan 0.000 0.429 472 D N 2.077 122.509 120.400 0.054 0.000 2.487 472 D HA -0.044 4.596 4.640 0.000 0.000 0.243 472 D C -0.719 175.676 176.300 0.159 0.000 1.154 472 D CA 0.686 54.733 54.000 0.079 0.000 0.876 472 D CB 0.336 41.165 40.800 0.048 0.000 1.161 472 D HN 0.354 nan 8.370 nan 0.000 0.478 473 Y N 3.261 123.567 120.300 0.010 0.000 2.526 473 Y HA 0.071 4.622 4.550 0.000 0.000 0.328 473 Y C 0.998 176.921 175.900 0.038 0.000 0.995 473 Y CA -0.955 57.158 58.100 0.022 0.000 1.304 473 Y CB 0.751 39.225 38.460 0.023 0.000 1.096 473 Y HN 0.337 nan 8.280 nan 0.000 0.499 474 E N 3.130 123.254 120.200 -0.126 0.000 2.118 474 E HA -0.125 4.225 4.350 0.000 0.000 0.195 474 E C 1.019 177.439 176.600 -0.300 0.000 0.992 474 E CA 1.814 58.115 56.400 -0.165 0.000 0.804 474 E CB 0.199 29.851 29.700 -0.080 0.000 0.741 474 E HN 0.606 nan 8.360 nan 0.000 0.458 475 V N 2.696 122.226 119.914 -0.641 0.000 2.287 475 V HA -0.273 3.847 4.120 0.000 0.000 0.248 475 V C 2.700 178.667 176.094 -0.212 0.000 1.053 475 V CA 2.091 64.120 62.300 -0.452 0.000 1.027 475 V CB -0.905 30.643 31.823 -0.457 0.000 0.646 475 V HN 0.413 nan 8.190 nan 0.000 0.447 476 N N -0.318 118.042 118.700 -0.568 0.000 2.188 476 N HA -0.215 4.525 4.740 0.000 0.000 0.184 476 N C 1.981 177.455 175.510 -0.060 0.000 1.018 476 N CA 1.400 54.380 53.050 -0.116 0.000 0.858 476 N CB -0.112 38.418 38.487 0.072 0.000 0.989 476 N HN 0.404 nan 8.380 nan 0.000 0.426 477 Q N 0.478 120.225 119.800 -0.089 0.000 2.084 477 Q HA -0.088 4.252 4.340 0.000 0.000 0.202 477 Q C 1.937 177.928 176.000 -0.015 0.000 0.978 477 Q CA 2.032 57.812 55.803 -0.037 0.000 0.844 477 Q CB -0.626 28.092 28.738 -0.033 0.000 0.898 477 Q HN 0.663 nan 8.270 nan 0.000 0.426 478 T N -1.423 113.143 114.554 0.021 0.000 2.942 478 T HA -0.087 4.264 4.350 0.000 0.000 0.265 478 T C 1.933 176.572 174.700 -0.102 0.000 1.062 478 T CA 0.873 63.001 62.100 0.047 0.000 1.139 478 T CB -0.341 68.644 68.868 0.195 0.000 0.883 478 T HN 0.167 nan 8.240 nan 0.000 0.468 479 L N 1.005 122.129 121.223 -0.164 0.000 2.046 479 L HA 0.093 4.433 4.340 0.000 0.000 0.208 479 L C 2.790 179.569 176.870 -0.152 0.000 1.077 479 L CA 1.532 56.065 54.840 -0.512 0.000 0.747 479 L CB -0.450 41.353 42.059 -0.425 0.000 0.896 479 L HN 0.109 nan 8.230 nan 0.000 0.432 480 R N -0.639 119.853 120.500 -0.014 0.000 2.070 480 R HA -0.148 4.192 4.340 0.000 0.000 0.232 480 R C 2.260 178.621 176.300 0.103 0.000 1.138 480 R CA 1.476 57.641 56.100 0.108 0.000 0.936 480 R CB -0.548 29.744 30.300 -0.013 0.000 0.839 480 R HN 0.394 nan 8.270 nan 0.000 0.429 481 E N 0.879 121.082 120.200 0.005 0.000 2.070 481 E HA -0.200 4.150 4.350 0.000 0.000 0.197 481 E C 1.812 178.385 176.600 -0.046 0.000 1.004 481 E CA 1.505 57.898 56.400 -0.011 0.000 0.805 481 E CB -0.015 29.675 29.700 -0.016 0.000 0.744 481 E HN 0.288 nan 8.360 nan 0.000 0.451 482 R N 0.082 120.517 120.500 -0.109 0.000 2.310 482 R HA 0.090 4.430 4.340 0.000 0.000 0.202 482 R C 0.352 176.517 176.300 -0.226 0.000 0.933 482 R CA 0.055 56.063 56.100 -0.153 0.000 1.054 482 R CB 0.116 30.309 30.300 -0.178 0.000 0.985 482 R HN 0.195 nan 8.270 nan 0.000 0.489 483 Q N -0.054 119.598 119.800 -0.247 0.000 2.487 483 Q HA -0.185 4.155 4.340 0.000 0.000 0.279 483 Q C 0.142 175.737 176.000 -0.674 0.000 1.228 483 Q CA 0.337 55.814 55.803 -0.542 0.000 0.873 483 Q CB -1.632 26.860 28.738 -0.410 0.000 1.260 483 Q HN 0.442 nan 8.270 nan 0.000 0.471 484 L N -0.177 120.728 121.223 -0.530 0.000 2.591 484 L HA 0.095 4.435 4.340 0.000 0.000 0.228 484 L C 0.803 177.413 176.870 -0.433 0.000 1.133 484 L CA -0.124 54.420 54.840 -0.494 0.000 0.880 484 L CB -0.375 41.325 42.059 -0.598 0.000 1.033 484 L HN 0.269 nan 8.230 nan 0.000 0.450 485 Y N -1.802 118.326 120.300 -0.285 0.000 2.309 485 Y HA 0.356 4.906 4.550 0.000 0.000 0.327 485 Y C 0.845 176.672 175.900 -0.121 0.000 1.172 485 Y CA -1.377 56.606 58.100 -0.196 0.000 1.280 485 Y CB -0.330 38.051 38.460 -0.131 0.000 1.234 485 Y HN -0.189 nan 8.280 nan 0.000 0.512 486 T N 4.798 119.413 114.554 0.101 0.000 2.891 486 T HA 0.017 4.367 4.350 0.000 0.000 0.296 486 T C 0.024 174.880 174.700 0.260 0.000 1.025 486 T CA 0.038 62.193 62.100 0.092 0.000 1.149 486 T CB -0.021 68.928 68.868 0.135 0.000 1.007 486 T HN 0.578 nan 8.240 nan 0.000 0.528 487 K N 2.381 122.866 120.400 0.142 0.000 2.132 487 K HA 0.232 4.553 4.320 0.000 0.000 0.241 487 K C 0.966 177.699 176.600 0.221 0.000 1.000 487 K CA -0.902 55.516 56.287 0.218 0.000 0.911 487 K CB 0.464 33.031 32.500 0.113 0.000 1.093 487 K HN 0.564 nan 8.250 nan 0.000 0.460 488 N N 0.855 119.710 118.700 0.257 0.000 2.410 488 N HA -0.004 4.736 4.740 0.000 0.000 0.231 488 N C -0.918 174.837 175.510 0.408 0.000 1.172 488 N CA 0.037 53.309 53.050 0.370 0.000 0.849 488 N CB -0.106 38.569 38.487 0.314 0.000 1.116 488 N HN 0.317 nan 8.380 nan 0.000 0.485 489 D N 0.027 120.595 120.400 0.280 0.000 2.294 489 D HA 0.431 5.071 4.640 0.000 0.000 0.250 489 D C 0.198 176.654 176.300 0.259 0.000 1.058 489 D CA -0.107 54.017 54.000 0.207 0.000 0.950 489 D CB 1.642 42.501 40.800 0.097 0.000 1.158 489 D HN 0.429 nan 8.370 nan 0.000 0.453 490 S N -0.582 115.217 115.700 0.166 0.000 2.656 490 S HA 0.447 4.917 4.470 0.000 0.000 0.273 490 S C 0.050 174.692 174.600 0.071 0.000 1.168 490 S CA -0.823 57.461 58.200 0.139 0.000 0.817 490 S CB 0.796 64.082 63.200 0.143 0.000 1.146 490 S HN 0.306 nan 8.310 nan 0.000 0.475 491 L N 0.656 121.922 121.223 0.072 0.000 2.693 491 L HA 0.233 4.573 4.340 0.000 0.000 0.235 491 L C 1.565 178.486 176.870 0.085 0.000 1.127 491 L CA 0.516 55.413 54.840 0.095 0.000 0.914 491 L CB -0.046 42.110 42.059 0.163 0.000 1.193 491 L HN 1.002 nan 8.230 nan 0.000 0.502 492 T N -4.819 109.754 114.554 0.032 0.000 3.023 492 T HA 0.232 4.582 4.350 0.000 0.000 0.253 492 T C 1.492 176.165 174.700 -0.045 0.000 1.038 492 T CA 0.478 62.575 62.100 -0.004 0.000 0.962 492 T CB 0.822 69.631 68.868 -0.100 0.000 1.018 492 T HN 0.287 nan 8.240 nan 0.000 0.521 493 G N 1.873 110.639 108.800 -0.057 0.000 2.155 493 G HA2 -0.275 3.685 3.960 0.000 0.000 0.257 493 G HA3 -0.275 3.685 3.960 0.000 0.000 0.257 493 G C 0.175 174.966 174.900 -0.182 0.000 0.983 493 G CA 0.309 45.356 45.100 -0.089 0.000 0.676 493 G HN 0.680 nan 8.290 nan 0.000 0.528 494 T N 0.930 115.317 114.554 -0.278 0.000 2.930 494 T HA 0.365 4.715 4.350 0.000 0.000 0.306 494 T C 0.010 174.230 174.700 -0.800 0.000 1.045 494 T CA 0.414 62.225 62.100 -0.483 0.000 1.134 494 T CB 1.516 70.079 68.868 -0.508 0.000 0.961 494 T HN 0.258 nan 8.240 nan 0.000 0.545 495 D N 1.679 121.694 120.400 -0.643 0.000 2.427 495 D HA 0.212 4.852 4.640 0.000 0.000 0.226 495 D C -0.036 175.947 176.300 -0.528 0.000 1.076 495 D CA -0.612 53.066 54.000 -0.537 0.000 0.849 495 D CB 0.500 41.145 40.800 -0.258 0.000 1.052 495 D HN 0.374 nan 8.370 nan 0.000 0.515 496 F N 2.049 121.918 119.950 -0.135 0.000 2.789 496 F HA 0.290 4.817 4.527 0.000 0.000 0.300 496 F C 1.704 177.382 175.800 -0.203 0.000 1.132 496 F CA 0.410 58.282 58.000 -0.213 0.000 1.404 496 F CB -0.060 38.762 39.000 -0.298 0.000 1.114 496 F HN 0.531 nan 8.300 nan 0.000 0.584 497 G N 0.637 109.422 108.800 -0.025 0.000 2.515 497 G HA2 0.206 4.166 3.960 0.000 0.000 0.686 497 G HA3 0.206 4.166 3.960 0.000 0.000 0.686 497 G C -1.518 173.352 174.900 -0.051 0.000 1.274 497 G CA -0.770 44.309 45.100 -0.035 0.000 0.874 497 G HN 0.067 nan 8.290 nan 0.000 0.631 498 M N 0.335 119.910 119.600 -0.042 0.000 2.569 498 M HA 0.852 5.332 4.480 0.000 0.000 0.279 498 M C 0.201 176.480 176.300 -0.034 0.000 1.253 498 M CA 0.046 55.322 55.300 -0.039 0.000 0.867 498 M CB 2.114 34.696 32.600 -0.030 0.000 1.727 498 M HN 1.852 nan 8.290 nan 0.000 0.467 499 T N -2.238 112.296 114.554 -0.033 0.000 2.907 499 T HA 0.491 4.842 4.350 0.000 0.000 0.290 499 T C 0.221 174.907 174.700 -0.023 0.000 1.066 499 T CA -0.675 61.411 62.100 -0.024 0.000 1.012 499 T CB 1.148 70.005 68.868 -0.018 0.000 1.184 499 T HN 0.644 nan 8.240 nan 0.000 0.522 500 D N 0.402 120.792 120.400 -0.017 0.000 2.221 500 D HA -0.124 4.516 4.640 0.000 0.000 0.204 500 D C 1.102 177.390 176.300 -0.020 0.000 0.982 500 D CA 1.180 55.171 54.000 -0.016 0.000 0.857 500 D CB 0.120 40.914 40.800 -0.011 0.000 0.934 500 D HN 0.560 nan 8.370 nan 0.000 0.475 501 D N 0.222 120.609 120.400 -0.022 0.000 2.149 501 D HA -0.003 4.637 4.640 0.000 0.000 0.201 501 D C 1.590 177.862 176.300 -0.047 0.000 0.972 501 D CA 1.019 55.003 54.000 -0.028 0.000 0.835 501 D CB 0.282 41.068 40.800 -0.024 0.000 0.966 501 D HN 0.241 nan 8.370 nan 0.000 0.476 502 G N 1.139 109.905 108.800 -0.056 0.000 2.598 502 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 502 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 502 G C -2.574 172.241 174.900 -0.142 0.000 1.302 502 G CA -0.643 44.408 45.100 -0.082 0.000 0.903 502 G HN 0.094 nan 8.290 nan 0.000 0.575 503 P HA 0.280 nan 4.420 nan 0.000 0.274 503 P C 1.254 178.496 177.300 -0.096 0.000 1.246 503 P CA 0.646 63.647 63.100 -0.165 0.000 0.795 503 P CB 0.813 32.355 31.700 -0.264 0.000 1.006 504 S N -0.019 115.660 115.700 -0.036 0.000 2.420 504 S HA -0.192 4.278 4.470 0.000 0.000 0.237 504 S C 0.954 175.569 174.600 0.025 0.000 1.023 504 S CA 1.629 59.827 58.200 -0.005 0.000 0.991 504 S CB -0.949 62.255 63.200 0.007 0.000 0.792 504 S HN 0.632 nan 8.310 nan 0.000 0.488 505 D N 0.882 121.318 120.400 0.060 0.000 2.593 505 D HA 0.522 5.162 4.640 0.000 0.000 0.241 505 D C 0.030 176.454 176.300 0.207 0.000 1.257 505 D CA -0.184 53.894 54.000 0.131 0.000 0.828 505 D CB 0.111 41.002 40.800 0.151 0.000 1.049 505 D HN 0.468 nan 8.370 nan 0.000 0.490 506 A N 0.189 123.065 122.820 0.095 0.000 2.337 506 A HA 0.512 4.832 4.320 0.000 0.000 0.331 506 A C -1.278 176.392 177.584 0.143 0.000 1.137 506 A CA -0.894 51.199 52.037 0.095 0.000 0.807 506 A CB 1.093 19.896 19.000 -0.328 0.000 1.250 506 A HN 0.256 nan 8.150 nan 0.000 0.468 507 Y N 1.541 121.915 120.300 0.122 0.000 2.402 507 Y HA 0.492 5.042 4.550 0.000 0.000 0.333 507 Y C -0.359 175.610 175.900 0.115 0.000 1.076 507 Y CA 0.298 58.466 58.100 0.113 0.000 1.299 507 Y CB 0.340 38.864 38.460 0.106 0.000 1.197 507 Y HN 0.457 nan 8.280 nan 0.000 0.517 508 I N 7.152 127.601 120.570 -0.202 0.000 2.420 508 I HA 0.357 4.527 4.170 0.000 0.000 0.282 508 I C 0.565 176.624 176.117 -0.096 0.000 1.019 508 I CA -0.454 60.813 61.300 -0.056 0.000 1.130 508 I CB 1.037 38.987 38.000 -0.083 0.000 1.262 508 I HN 0.778 nan 8.210 nan 0.000 0.454 509 G N 3.369 112.353 108.800 0.307 0.000 2.537 509 G HA2 0.394 4.354 3.960 0.000 0.000 0.297 509 G HA3 0.394 4.354 3.960 0.000 0.000 0.297 509 G C -1.401 173.658 174.900 0.265 0.000 1.310 509 G CA -0.192 45.093 45.100 0.309 0.000 1.027 509 G HN 0.609 nan 8.290 nan 0.000 0.505 510 H N -1.312 117.847 119.070 0.149 0.000 2.667 510 H HA 0.515 5.071 4.556 0.000 0.000 0.353 510 H C -1.178 174.257 175.328 0.178 0.000 1.072 510 H CA -0.705 55.417 56.048 0.124 0.000 1.214 510 H CB 1.741 31.532 29.762 0.048 0.000 1.600 510 H HN 0.384 nan 8.280 nan 0.000 0.527 511 L N 4.055 125.166 121.223 -0.187 0.000 2.275 511 L HA 0.366 4.706 4.340 0.000 0.000 0.288 511 L C -0.923 175.709 176.870 -0.396 0.000 1.046 511 L CA -0.159 54.498 54.840 -0.305 0.000 0.805 511 L CB 0.969 42.770 42.059 -0.430 0.000 1.193 511 L HN 0.744 nan 8.230 nan 0.000 0.426 512 D N 3.094 123.293 120.400 -0.335 0.000 2.473 512 D HA 0.214 4.854 4.640 0.000 0.000 0.253 512 D C -0.496 175.681 176.300 -0.205 0.000 1.233 512 D CA -0.120 53.795 54.000 -0.141 0.000 0.908 512 D CB 0.612 41.445 40.800 0.055 0.000 1.170 512 D HN 0.452 nan 8.370 nan 0.000 0.558 513 Y N 2.496 122.835 120.300 0.066 0.000 2.461 513 Y HA 0.391 4.942 4.550 0.000 0.000 0.277 513 Y C 1.573 177.660 175.900 0.312 0.000 1.182 513 Y CA 0.528 58.740 58.100 0.188 0.000 1.276 513 Y CB 0.275 38.901 38.460 0.277 0.000 1.087 513 Y HN 0.640 nan 8.280 nan 0.000 0.519 514 G N -0.468 108.509 108.800 0.295 0.000 2.787 514 G HA2 0.116 4.076 3.960 0.000 0.000 0.685 514 G HA3 0.116 4.076 3.960 0.000 0.000 0.685 514 G C 0.723 175.817 174.900 0.322 0.000 1.437 514 G CA -0.349 44.896 45.100 0.241 0.000 0.872 514 G HN 1.039 nan 8.290 nan 0.000 0.566 515 G N -1.060 107.888 108.800 0.245 0.000 2.168 515 G HA2 0.330 4.290 3.960 0.000 0.000 0.257 515 G HA3 0.330 4.290 3.960 0.000 0.000 0.257 515 G C 1.915 176.852 174.900 0.062 0.000 0.997 515 G CA 1.063 46.247 45.100 0.140 0.000 0.708 515 G HN 3.183 nan 8.290 nan 0.000 0.520 516 G N -2.851 106.006 108.800 0.094 0.000 2.175 516 G HA2 -0.056 3.904 3.960 0.000 0.000 0.244 516 G HA3 -0.056 3.904 3.960 0.000 0.000 0.244 516 G C 0.438 175.387 174.900 0.081 0.000 0.982 516 G CA 0.441 45.586 45.100 0.075 0.000 0.641 516 G HN 1.633 nan 8.290 nan 0.000 0.527 517 V N 2.599 122.578 119.914 0.108 0.000 2.387 517 V HA 0.554 4.674 4.120 0.000 0.000 0.260 517 V C 0.394 176.601 176.094 0.188 0.000 1.054 517 V CA 0.904 63.280 62.300 0.126 0.000 0.967 517 V CB 0.427 32.328 31.823 0.131 0.000 1.036 517 V HN 0.702 nan 8.190 nan 0.000 0.481 518 E N 4.475 124.738 120.200 0.105 0.000 2.396 518 E HA 0.706 5.056 4.350 0.000 0.000 0.280 518 E C -1.194 175.348 176.600 -0.098 0.000 1.065 518 E CA -0.984 55.419 56.400 0.005 0.000 0.831 518 E CB 1.952 31.704 29.700 0.087 0.000 1.272 518 E HN 0.675 nan 8.360 nan 0.000 0.443 519 C N -0.037 119.050 119.300 -0.354 0.000 3.312 519 C HA 0.601 5.061 4.460 0.000 0.000 0.332 519 C C -1.301 173.423 174.990 -0.444 0.000 1.340 519 C CA -0.820 58.032 59.018 -0.276 0.000 1.265 519 C CB 1.049 28.719 27.740 -0.116 0.000 1.563 519 C HN 0.810 nan 8.230 nan 0.000 0.471 520 D N 1.166 121.512 120.400 -0.090 0.000 2.329 520 D HA 0.621 5.261 4.640 0.000 0.000 0.246 520 D C 0.089 176.366 176.300 -0.038 0.000 1.111 520 D CA 0.504 54.524 54.000 0.034 0.000 0.941 520 D CB 1.559 42.417 40.800 0.095 0.000 1.169 520 D HN 1.188 nan 8.370 nan 0.000 0.441 521 A N 1.229 124.000 122.820 -0.082 0.000 2.455 521 A HA 0.529 4.849 4.320 0.000 0.000 0.300 521 A C -0.637 176.633 177.584 -0.524 0.000 1.040 521 A CA -0.704 51.140 52.037 -0.322 0.000 0.697 521 A CB 0.970 19.697 19.000 -0.454 0.000 1.265 521 A HN 0.472 nan 8.150 nan 0.000 0.407 522 L N 0.849 121.800 121.223 -0.452 0.000 2.439 522 L HA 0.626 4.966 4.340 0.000 0.000 0.259 522 L C -0.878 175.554 176.870 -0.730 0.000 1.129 522 L CA -0.206 54.401 54.840 -0.389 0.000 0.803 522 L CB 0.871 42.817 42.059 -0.187 0.000 1.161 522 L HN 0.719 nan 8.230 nan 0.000 0.462 523 F N -0.112 119.806 119.950 -0.054 0.000 2.588 523 F HA 0.428 4.955 4.527 0.000 0.000 0.310 523 F C -2.307 173.389 175.800 -0.173 0.000 1.082 523 F CA -2.366 55.558 58.000 -0.128 0.000 0.929 523 F CB 1.381 40.252 39.000 -0.214 0.000 1.254 523 F HN 0.174 nan 8.300 nan 0.000 0.455 524 P HA 0.101 nan 4.420 nan 0.000 0.282 524 P C -0.830 176.006 177.300 -0.774 0.000 1.262 524 P CA -0.146 62.578 63.100 -0.626 0.000 0.773 524 P CB 0.684 31.682 31.700 -1.171 0.000 0.879 525 D N 2.920 123.016 120.400 -0.507 0.000 2.558 525 D HA 0.070 4.710 4.640 0.000 0.000 0.221 525 D C 0.536 176.651 176.300 -0.309 0.000 1.143 525 D CA -0.354 53.430 54.000 -0.361 0.000 1.010 525 D CB -0.370 40.291 40.800 -0.231 0.000 1.068 525 D HN 0.277 nan 8.370 nan 0.000 0.511 526 W N 2.292 123.559 121.300 -0.056 0.000 2.275 526 W HA -0.221 4.440 4.660 0.000 0.000 0.321 526 W C 2.478 178.963 176.519 -0.056 0.000 1.269 526 W CA 1.091 58.392 57.345 -0.073 0.000 1.274 526 W CB -0.759 28.618 29.460 -0.138 0.000 1.141 526 W HN 0.457 nan 8.180 nan 0.000 0.493 527 G N 0.274 109.153 108.800 0.132 0.000 2.501 527 G HA2 -0.194 3.766 3.960 0.000 0.000 0.220 527 G HA3 -0.194 3.766 3.960 0.000 0.000 0.220 527 G C 0.831 175.750 174.900 0.032 0.000 1.114 527 G CA -0.107 45.034 45.100 0.068 0.000 0.757 527 G HN 0.096 nan 8.290 nan 0.000 0.559 528 R N 1.065 121.560 120.500 -0.008 0.000 2.543 528 R HA 0.222 4.562 4.340 0.000 0.000 0.277 528 R C -2.009 174.292 176.300 0.002 0.000 1.074 528 R CA -1.405 54.673 56.100 -0.037 0.000 1.076 528 R CB 0.534 30.770 30.300 -0.107 0.000 0.993 528 R HN 0.080 nan 8.270 nan 0.000 0.459 529 P HA -0.022 nan 4.420 nan 0.000 0.269 529 P C -0.679 176.629 177.300 0.015 0.000 1.215 529 P CA 0.173 63.285 63.100 0.021 0.000 0.780 529 P CB 0.689 32.397 31.700 0.013 0.000 0.898 530 D N -0.812 119.619 120.400 0.052 0.000 2.034 530 D HA -0.155 4.485 4.640 0.000 0.000 0.191 530 D C 1.514 177.892 176.300 0.129 0.000 1.386 530 D CA 1.147 55.188 54.000 0.067 0.000 1.458 530 D CB -1.580 39.225 40.800 0.008 0.000 1.379 530 D HN 0.145 nan 8.370 nan 0.000 0.579 531 V N 1.550 121.521 119.914 0.095 0.000 2.255 531 V HA -0.261 3.859 4.120 0.000 0.000 0.247 531 V C 2.790 179.118 176.094 0.390 0.000 1.051 531 V CA 3.061 65.451 62.300 0.150 0.000 1.018 531 V CB -0.797 31.013 31.823 -0.021 0.000 0.641 531 V HN 0.511 nan 8.190 nan 0.000 0.445 532 A N -0.207 122.824 122.820 0.352 0.000 1.892 532 A HA -0.318 4.002 4.320 0.000 0.000 0.218 532 A C 2.189 179.998 177.584 0.375 0.000 1.188 532 A CA 2.328 54.613 52.037 0.414 0.000 0.631 532 A CB -0.637 18.515 19.000 0.254 0.000 0.822 532 A HN 0.599 nan 8.150 nan 0.000 0.447 533 E N -1.109 119.251 120.200 0.268 0.000 2.085 533 E HA -0.245 4.105 4.350 0.000 0.000 0.194 533 E C 1.705 178.441 176.600 0.226 0.000 0.994 533 E CA 1.872 58.393 56.400 0.202 0.000 0.801 533 E CB -0.431 29.362 29.700 0.156 0.000 0.743 533 E HN 0.771 nan 8.360 nan 0.000 0.453 534 W N 0.038 121.399 121.300 0.102 0.000 2.409 534 W HA -0.096 4.564 4.660 0.000 0.000 0.299 534 W C 2.079 178.650 176.519 0.087 0.000 1.203 534 W CA 1.422 58.800 57.345 0.055 0.000 1.298 534 W CB -0.654 28.827 29.460 0.035 0.000 1.127 534 W HN 0.249 nan 8.180 nan 0.000 0.528 535 W N 1.639 123.002 121.300 0.105 0.000 2.333 535 W HA -0.160 4.500 4.660 0.000 0.000 0.316 535 W C 2.032 178.504 176.519 -0.079 0.000 1.215 535 W CA 2.348 59.640 57.345 -0.088 0.000 1.278 535 W CB -1.049 28.698 29.460 0.478 0.000 1.154 535 W HN 0.048 nan 8.180 nan 0.000 0.486 536 G N 0.911 109.721 108.800 0.018 0.000 2.440 536 G HA2 -0.355 3.605 3.960 0.000 0.000 0.218 536 G HA3 -0.355 3.605 3.960 0.000 0.000 0.218 536 G C 1.353 176.156 174.900 -0.163 0.000 1.154 536 G CA 1.188 46.253 45.100 -0.058 0.000 0.767 536 G HN 0.233 nan 8.290 nan 0.000 0.552 537 N N 1.136 119.698 118.700 -0.229 0.000 2.289 537 N HA -0.078 4.662 4.740 0.000 0.000 0.184 537 N C 1.953 177.154 175.510 -0.514 0.000 1.016 537 N CA 0.581 53.462 53.050 -0.283 0.000 0.872 537 N CB -0.300 38.060 38.487 -0.210 0.000 0.973 537 N HN 0.233 nan 8.380 nan 0.000 0.433 538 N N 0.153 118.307 118.700 -0.911 0.000 2.289 538 N HA -0.140 4.600 4.740 0.000 0.000 0.184 538 N C 1.218 175.918 175.510 -1.351 0.000 1.016 538 N CA 0.675 52.862 53.050 -1.438 0.000 0.872 538 N CB -0.369 36.654 38.487 -2.440 0.000 0.973 538 N HN 0.439 nan 8.380 nan 0.000 0.433 539 Y N 1.344 121.053 120.300 -0.985 0.000 2.497 539 Y HA -0.019 4.531 4.550 0.000 0.000 0.292 539 Y C 2.178 177.605 175.900 -0.788 0.000 1.137 539 Y CA 0.711 58.314 58.100 -0.828 0.000 1.285 539 Y CB 0.012 37.911 38.460 -0.935 0.000 0.991 539 Y HN -0.012 nan 8.280 nan 0.000 0.556 540 K N 0.328 120.529 120.400 -0.332 0.000 2.152 540 K HA -0.209 4.111 4.320 0.000 0.000 0.206 540 K C 1.761 178.315 176.600 -0.078 0.000 1.048 540 K CA 1.426 57.644 56.287 -0.116 0.000 0.933 540 K CB -0.084 32.370 32.500 -0.076 0.000 0.721 540 K HN 0.286 nan 8.250 nan 0.000 0.447 541 K N 0.361 120.667 120.400 -0.157 0.000 2.211 541 K HA -0.065 4.255 4.320 0.000 0.000 0.203 541 K C 1.826 178.463 176.600 0.061 0.000 1.050 541 K CA 0.859 57.122 56.287 -0.039 0.000 0.945 541 K CB 0.131 32.590 32.500 -0.068 0.000 0.732 541 K HN 0.070 nan 8.250 nan 0.000 0.451 542 L N -1.112 120.114 121.223 0.006 0.000 2.189 542 L HA 0.034 4.374 4.340 0.000 0.000 0.199 542 L C 1.759 178.753 176.870 0.206 0.000 1.074 542 L CA 0.261 55.161 54.840 0.101 0.000 0.783 542 L CB -0.364 41.695 42.059 0.001 0.000 0.955 542 L HN -0.005 nan 8.230 nan 0.000 0.460 543 F N 1.314 121.317 119.950 0.089 0.000 2.111 543 F HA -0.304 4.223 4.527 0.000 0.000 0.300 543 F C 2.981 178.844 175.800 0.105 0.000 1.088 543 F CA 1.547 59.594 58.000 0.079 0.000 1.243 543 F CB -1.610 37.435 39.000 0.076 0.000 0.996 543 F HN 0.211 nan 8.300 nan 0.000 0.483 544 S N 0.346 116.226 115.700 0.299 0.000 2.481 544 S HA -0.089 4.381 4.470 0.000 0.000 0.231 544 S C 1.600 176.343 174.600 0.238 0.000 0.996 544 S CA 0.940 59.275 58.200 0.225 0.000 0.942 544 S CB -1.150 62.152 63.200 0.169 0.000 0.768 544 S HN 0.601 nan 8.310 nan 0.000 0.520 545 I N -2.626 118.107 120.570 0.273 0.000 3.875 545 I HA 0.633 4.803 4.170 0.000 0.000 0.329 545 I C 1.175 177.463 176.117 0.286 0.000 1.295 545 I CA 0.071 61.544 61.300 0.288 0.000 1.129 545 I CB -0.109 38.100 38.000 0.348 0.000 1.008 545 I HN 0.298 nan 8.210 nan 0.000 0.413 546 G N 1.740 110.712 108.800 0.286 0.000 2.143 546 G HA2 -0.200 3.760 3.960 0.000 0.000 0.175 546 G HA3 -0.200 3.760 3.960 0.000 0.000 0.175 546 G C -0.242 174.718 174.900 0.100 0.000 1.004 546 G CA -0.067 45.196 45.100 0.271 0.000 0.671 546 G HN 0.372 nan 8.290 nan 0.000 0.512 547 L N 0.955 122.130 121.223 -0.079 0.000 2.453 547 L HA 0.504 4.844 4.340 0.000 0.000 0.272 547 L C 1.003 177.837 176.870 -0.060 0.000 1.182 547 L CA 0.600 55.110 54.840 -0.549 0.000 0.858 547 L CB 0.507 42.259 42.059 -0.511 0.000 1.120 547 L HN 0.188 nan 8.230 nan 0.000 0.474 548 D N 4.275 124.632 120.400 -0.071 0.000 2.290 548 D HA 0.095 4.735 4.640 0.000 0.000 0.224 548 D C 0.068 176.581 176.300 0.355 0.000 0.967 548 D CA 1.443 55.546 54.000 0.171 0.000 0.893 548 D CB 0.261 41.148 40.800 0.145 0.000 1.037 548 D HN 0.501 nan 8.370 nan 0.000 0.477 549 F N -0.811 119.151 119.950 0.020 0.000 2.869 549 F HA 0.604 5.131 4.527 0.000 0.000 0.325 549 F C -1.354 174.485 175.800 0.065 0.000 1.184 549 F CA -1.316 56.736 58.000 0.086 0.000 0.951 549 F CB 1.289 40.375 39.000 0.143 0.000 1.421 549 F HN -0.411 nan 8.300 nan 0.000 0.501 550 V N 1.158 121.081 119.914 0.015 0.000 2.459 550 V HA 0.210 4.330 4.120 0.000 0.000 0.295 550 V C -1.625 174.431 176.094 -0.063 0.000 1.029 550 V CA -0.367 61.927 62.300 -0.009 0.000 0.874 550 V CB 1.559 33.457 31.823 0.125 0.000 0.985 550 V HN 0.786 nan 8.190 nan 0.000 0.438 551 W N 5.281 126.407 121.300 -0.290 0.000 2.347 551 W HA 0.592 5.252 4.660 0.000 0.000 0.321 551 W C -0.325 176.126 176.519 -0.114 0.000 0.971 551 W CA -1.462 55.691 57.345 -0.319 0.000 1.508 551 W CB 0.960 30.134 29.460 -0.476 0.000 1.299 551 W HN 0.602 nan 8.180 nan 0.000 0.399 552 Q N 4.076 124.007 119.800 0.218 0.000 2.294 552 Q HA 0.267 4.607 4.340 0.000 0.000 0.257 552 Q C -0.943 175.191 176.000 0.223 0.000 0.955 552 Q CA 0.558 56.460 55.803 0.165 0.000 0.936 552 Q CB 0.895 29.729 28.738 0.160 0.000 1.188 552 Q HN 0.447 nan 8.270 nan 0.000 0.420 553 D N 2.498 122.938 120.400 0.067 0.000 2.523 553 D HA 0.372 5.012 4.640 0.000 0.000 0.236 553 D C -0.636 175.706 176.300 0.069 0.000 1.094 553 D CA -0.369 53.677 54.000 0.077 0.000 0.942 553 D CB 0.872 41.555 40.800 -0.196 0.000 1.447 553 D HN 0.528 nan 8.370 nan 0.000 0.479 554 M N 1.309 120.942 119.600 0.054 0.000 2.516 554 M HA -0.163 4.318 4.480 0.000 0.000 0.183 554 M C 0.718 177.139 176.300 0.203 0.000 0.928 554 M CA 1.004 56.349 55.300 0.075 0.000 0.573 554 M CB -2.962 29.590 32.600 -0.081 0.000 1.126 554 M HN 0.583 nan 8.290 nan 0.000 0.859 555 T N -4.673 109.966 114.554 0.142 0.000 3.086 555 T HA 0.270 4.620 4.350 0.000 0.000 0.250 555 T C 1.467 176.274 174.700 0.179 0.000 1.074 555 T CA 0.532 62.733 62.100 0.168 0.000 0.988 555 T CB 0.212 69.144 68.868 0.106 0.000 0.988 555 T HN 0.313 nan 8.240 nan 0.000 0.530 556 V N 1.587 121.532 119.914 0.050 0.000 2.287 556 V HA 0.034 4.154 4.120 0.000 0.000 0.248 556 V C -1.551 174.334 176.094 -0.349 0.000 1.053 556 V CA 0.770 63.012 62.300 -0.096 0.000 1.027 556 V CB -1.673 30.032 31.823 -0.197 0.000 0.646 556 V HN 0.438 nan 8.190 nan 0.000 0.447 557 P HA 0.269 nan 4.420 nan 0.000 0.276 557 P C -0.601 176.605 177.300 -0.157 0.000 1.230 557 P CA 0.098 63.040 63.100 -0.262 0.000 0.776 557 P CB 0.657 31.930 31.700 -0.712 0.000 0.888 558 A N 4.958 127.861 122.820 0.138 0.000 2.990 558 A HA 0.249 4.569 4.320 0.000 0.000 0.282 558 A C 0.481 178.151 177.584 0.143 0.000 1.688 558 A CA -0.199 51.860 52.037 0.035 0.000 1.391 558 A CB -1.150 17.848 19.000 -0.003 0.000 1.112 558 A HN 0.459 nan 8.150 nan 0.000 0.588 559 M N 1.160 120.791 119.600 0.052 0.000 2.247 559 M HA 0.291 4.772 4.480 0.000 0.000 0.326 559 M C 0.656 176.964 176.300 0.014 0.000 1.134 559 M CA -0.127 55.245 55.300 0.119 0.000 1.136 559 M CB 0.785 33.349 32.600 -0.059 0.000 1.454 559 M HN 0.618 nan 8.290 nan 0.000 0.467 560 M N 3.840 123.488 119.600 0.081 0.000 2.251 560 M HA 0.112 4.592 4.480 0.000 0.000 0.343 560 M C -2.033 174.311 176.300 0.075 0.000 1.245 560 M CA -1.196 54.158 55.300 0.091 0.000 1.061 560 M CB 0.492 33.205 32.600 0.189 0.000 1.723 560 M HN 0.252 nan 8.290 nan 0.000 0.449 561 P HA -0.047 nan 4.420 nan 0.000 0.264 561 P C -1.347 176.099 177.300 0.245 0.000 1.183 561 P CA 0.776 63.954 63.100 0.131 0.000 0.763 561 P CB 0.236 32.127 31.700 0.317 0.000 0.807 562 H N 1.519 120.641 119.070 0.087 0.000 3.086 562 H HA 0.290 4.846 4.556 0.000 0.000 0.353 562 H C -1.286 174.257 175.328 0.359 0.000 1.134 562 H CA -0.741 55.419 56.048 0.187 0.000 1.248 562 H CB 2.194 32.048 29.762 0.154 0.000 1.878 562 H HN 0.367 nan 8.280 nan 0.000 0.527 563 K N 5.680 125.950 120.400 -0.218 0.000 2.182 563 K HA 0.284 4.604 4.320 0.000 0.000 0.262 563 K C -0.096 176.326 176.600 -0.296 0.000 0.957 563 K CA -0.791 55.473 56.287 -0.038 0.000 0.842 563 K CB 1.044 33.417 32.500 -0.210 0.000 1.099 563 K HN 0.396 nan 8.250 nan 0.000 0.438 564 I N 3.576 124.124 120.570 -0.036 0.000 2.752 564 I HA -0.060 4.110 4.170 0.000 0.000 0.289 564 I C 1.489 177.539 176.117 -0.112 0.000 1.197 564 I CA 1.790 63.035 61.300 -0.091 0.000 1.432 564 I CB -0.140 37.787 38.000 -0.122 0.000 1.359 564 I HN 1.152 nan 8.210 nan 0.000 0.571 565 G N 5.608 114.362 108.800 -0.076 0.000 2.345 565 G HA2 -0.203 3.757 3.960 0.000 0.000 0.218 565 G HA3 -0.203 3.757 3.960 0.000 0.000 0.218 565 G C 0.107 174.968 174.900 -0.065 0.000 1.058 565 G CA -0.264 44.791 45.100 -0.075 0.000 0.632 565 G HN 0.525 nan 8.290 nan 0.000 0.508 566 D N 2.716 123.040 120.400 -0.126 0.000 2.423 566 D HA 0.418 5.058 4.640 0.000 0.000 0.238 566 D C 0.533 176.882 176.300 0.082 0.000 1.142 566 D CA -0.007 53.937 54.000 -0.094 0.000 0.884 566 D CB 0.417 41.078 40.800 -0.233 0.000 1.199 566 D HN 0.258 nan 8.370 nan 0.000 0.438 567 D N 0.638 121.070 120.400 0.053 0.000 2.390 567 D HA -0.021 4.619 4.640 0.000 0.000 0.236 567 D C 1.562 177.950 176.300 0.146 0.000 1.189 567 D CA -0.051 53.989 54.000 0.067 0.000 0.887 567 D CB 0.639 41.442 40.800 0.005 0.000 1.198 567 D HN 0.311 nan 8.370 nan 0.000 0.444 568 I N 1.121 121.716 120.570 0.041 0.000 2.493 568 I HA -0.274 3.896 4.170 0.000 0.000 0.254 568 I C 1.553 177.556 176.117 -0.190 0.000 1.160 568 I CA 0.840 62.093 61.300 -0.079 0.000 1.445 568 I CB -0.222 37.710 38.000 -0.114 0.000 1.086 568 I HN 0.340 nan 8.210 nan 0.000 0.433 569 N N 0.416 118.950 118.700 -0.277 0.000 2.370 569 N HA 0.007 4.747 4.740 0.000 0.000 0.198 569 N C -0.224 175.148 175.510 -0.230 0.000 1.156 569 N CA 0.143 52.847 53.050 -0.577 0.000 0.839 569 N CB -0.280 37.936 38.487 -0.452 0.000 0.989 569 N HN 0.009 nan 8.380 nan 0.000 0.468 570 V N 1.323 121.210 119.914 -0.045 0.000 2.394 570 V HA 0.254 4.374 4.120 0.000 0.000 0.282 570 V C 0.227 176.372 176.094 0.085 0.000 1.031 570 V CA -1.064 61.245 62.300 0.015 0.000 0.881 570 V CB 1.127 32.952 31.823 0.003 0.000 0.982 570 V HN 0.335 nan 8.190 nan 0.000 0.451 571 K N 6.052 126.497 120.400 0.075 0.000 2.130 571 K HA 0.706 5.026 4.320 0.000 0.000 0.268 571 K C -2.672 173.978 176.600 0.082 0.000 0.983 571 K CA -1.641 54.718 56.287 0.120 0.000 0.893 571 K CB 1.466 34.052 32.500 0.143 0.000 1.066 571 K HN 0.394 nan 8.250 nan 0.000 0.450 572 P HA -0.019 nan 4.420 nan 0.000 0.274 572 P C -0.649 176.717 177.300 0.110 0.000 1.256 572 P CA -0.328 62.803 63.100 0.051 0.000 0.795 572 P CB 0.403 32.171 31.700 0.114 0.000 1.038 573 D N -0.200 120.244 120.400 0.073 0.000 2.583 573 D HA -0.072 4.569 4.640 0.000 0.000 0.232 573 D C 1.708 178.126 176.300 0.198 0.000 1.128 573 D CA 0.831 54.903 54.000 0.119 0.000 0.859 573 D CB 0.662 41.529 40.800 0.112 0.000 1.169 573 D HN 0.492 nan 8.370 nan 0.000 0.481 574 G N 4.233 113.136 108.800 0.171 0.000 2.469 574 G HA2 -0.356 3.604 3.960 0.000 0.000 0.220 574 G HA3 -0.356 3.604 3.960 0.000 0.000 0.220 574 G C 1.481 176.564 174.900 0.305 0.000 1.136 574 G CA 0.598 45.824 45.100 0.209 0.000 0.759 574 G HN 0.545 nan 8.290 nan 0.000 0.562 575 N N -0.872 118.004 118.700 0.294 0.000 2.381 575 N HA -0.038 4.702 4.740 0.000 0.000 0.182 575 N C 0.238 175.901 175.510 0.256 0.000 1.025 575 N CA 0.063 53.344 53.050 0.384 0.000 0.888 575 N CB -0.112 38.559 38.487 0.307 0.000 0.965 575 N HN 0.486 nan 8.380 nan 0.000 0.438 576 W N 1.945 123.251 121.300 0.009 0.000 2.376 576 W HA 0.410 5.070 4.660 0.000 0.000 0.322 576 W C -2.197 174.108 176.519 -0.356 0.000 1.160 576 W CA -1.908 55.358 57.345 -0.131 0.000 1.218 576 W CB 0.897 30.289 29.460 -0.113 0.000 1.205 576 W HN -0.041 nan 8.180 nan 0.000 0.559 577 P HA 0.290 nan 4.420 nan 0.000 0.282 577 P C -1.494 175.370 177.300 -0.727 0.000 1.259 577 P CA -0.342 61.728 63.100 -1.716 0.000 0.826 577 P CB 1.854 32.297 31.700 -2.094 0.000 1.064 578 N N -1.290 117.108 118.700 -0.504 0.000 3.102 578 N HA 0.537 5.277 4.740 0.000 0.000 0.299 578 N C 0.861 176.232 175.510 -0.231 0.000 1.482 578 N CA -0.837 52.043 53.050 -0.285 0.000 0.785 578 N CB -0.096 38.296 38.487 -0.159 0.000 1.680 578 N HN 0.154 nan 8.380 nan 0.000 0.594 579 A N -0.505 122.143 122.820 -0.287 0.000 1.877 579 A HA -0.142 4.178 4.320 0.000 0.000 0.216 579 A C 1.193 178.712 177.584 -0.109 0.000 1.186 579 A CA 1.825 53.691 52.037 -0.285 0.000 0.620 579 A CB -0.907 17.693 19.000 -0.666 0.000 0.822 579 A HN 0.745 nan 8.150 nan 0.000 0.443 580 D N -0.898 119.475 120.400 -0.045 0.000 2.323 580 D HA 0.020 4.660 4.640 0.000 0.000 0.209 580 D C -0.225 176.123 176.300 0.079 0.000 0.973 580 D CA 0.746 54.789 54.000 0.072 0.000 0.874 580 D CB 0.153 41.032 40.800 0.133 0.000 0.930 580 D HN 0.369 nan 8.370 nan 0.000 0.521 581 D N 0.336 120.775 120.400 0.065 0.000 2.513 581 D HA 0.206 4.847 4.640 0.000 0.000 0.295 581 D C -2.638 173.695 176.300 0.053 0.000 1.202 581 D CA -2.109 51.982 54.000 0.151 0.000 0.849 581 D CB 1.316 42.283 40.800 0.279 0.000 1.116 581 D HN -0.089 nan 8.370 nan 0.000 0.502 582 P HA 0.117 nan 4.420 nan 0.000 0.289 582 P C 0.927 178.204 177.300 -0.038 0.000 1.299 582 P CA -0.349 62.714 63.100 -0.062 0.000 0.766 582 P CB 0.825 32.547 31.700 0.038 0.000 1.226 583 S N -0.238 115.428 115.700 -0.056 0.000 2.387 583 S HA -0.126 4.344 4.470 0.000 0.000 0.226 583 S C 0.747 175.509 174.600 0.270 0.000 1.026 583 S CA 1.054 59.271 58.200 0.028 0.000 0.972 583 S CB -1.291 61.991 63.200 0.136 0.000 0.814 583 S HN 0.439 nan 8.310 nan 0.000 0.477 584 N N 0.712 119.558 118.700 0.244 0.000 2.693 584 N HA -0.178 4.562 4.740 0.000 0.000 0.249 584 N C 0.535 176.197 175.510 0.253 0.000 1.119 584 N CA 1.347 54.537 53.050 0.233 0.000 0.717 584 N CB -1.916 36.692 38.487 0.202 0.000 1.071 584 N HN 0.906 nan 8.380 nan 0.000 0.555 585 G N -1.035 107.957 108.800 0.321 0.000 2.198 585 G HA2 -0.342 3.618 3.960 0.000 0.000 0.257 585 G HA3 -0.342 3.618 3.960 0.000 0.000 0.257 585 G C 0.546 175.621 174.900 0.291 0.000 1.042 585 G CA 0.692 45.983 45.100 0.320 0.000 0.791 585 G HN 0.592 nan 8.290 nan 0.000 0.502 586 Q N -2.053 117.968 119.800 0.369 0.000 2.322 586 Q HA 0.234 4.574 4.340 0.000 0.000 0.250 586 Q C 0.493 176.834 176.000 0.568 0.000 0.853 586 Q CA -0.223 55.811 55.803 0.384 0.000 0.951 586 Q CB 0.934 29.896 28.738 0.374 0.000 1.114 586 Q HN 0.525 nan 8.270 nan 0.000 0.523 587 Y N 3.056 123.554 120.300 0.330 0.000 2.316 587 Y HA 0.065 4.615 4.550 0.000 0.000 0.331 587 Y C 0.890 176.823 175.900 0.055 0.000 1.083 587 Y CA -1.082 57.069 58.100 0.085 0.000 1.206 587 Y CB 0.651 38.750 38.460 -0.602 0.000 1.195 587 Y HN 0.123 nan 8.280 nan 0.000 0.497 588 N N 3.010 121.402 118.700 -0.514 0.000 2.515 588 N HA -0.159 4.581 4.740 0.000 0.000 0.185 588 N C -0.118 175.150 175.510 -0.404 0.000 1.109 588 N CA 0.520 53.187 53.050 -0.639 0.000 0.903 588 N CB -0.645 37.196 38.487 -1.076 0.000 0.969 588 N HN 0.829 nan 8.380 nan 0.000 0.450 589 W N 1.115 121.911 121.300 -0.840 0.000 5.361 589 W HA -0.256 4.404 4.660 0.000 0.000 0.385 589 W C -0.164 176.090 176.519 -0.441 0.000 1.458 589 W CA 0.587 57.753 57.345 -0.299 0.000 0.922 589 W CB -2.402 27.219 29.460 0.268 0.000 2.606 589 W HN 0.150 nan 8.180 nan 0.000 1.450 590 K N -1.933 118.189 120.400 -0.464 0.000 3.071 590 K HA -0.252 4.068 4.320 0.000 0.000 0.265 590 K C 0.335 176.701 176.600 -0.389 0.000 1.060 590 K CA 1.350 57.406 56.287 -0.385 0.000 0.767 590 K CB -1.500 30.738 32.500 -0.436 0.000 1.241 590 K HN 0.444 nan 8.250 nan 0.000 0.486 591 T N -2.130 112.207 114.554 -0.363 0.000 2.647 591 T HA 0.302 4.652 4.350 0.000 0.000 0.302 591 T C -1.316 173.135 174.700 -0.416 0.000 1.389 591 T CA -0.774 61.089 62.100 -0.395 0.000 1.037 591 T CB 0.369 69.011 68.868 -0.377 0.000 1.755 591 T HN 0.111 nan 8.240 nan 0.000 0.467 592 Y N 2.568 122.527 120.300 -0.570 0.000 2.805 592 Y HA 0.146 4.696 4.550 0.000 0.000 0.337 592 Y C 1.468 177.165 175.900 -0.338 0.000 1.252 592 Y CA 0.561 58.251 58.100 -0.682 0.000 1.515 592 Y CB 0.134 38.115 38.460 -0.798 0.000 1.305 592 Y HN 0.409 nan 8.280 nan 0.000 0.600 593 H N 6.029 125.151 119.070 0.086 0.000 3.004 593 H HA -0.012 4.544 4.556 0.000 0.000 0.316 593 H C -1.491 173.903 175.328 0.108 0.000 1.014 593 H CA -1.148 55.022 56.048 0.203 0.000 1.454 593 H CB 0.847 30.874 29.762 0.443 0.000 1.472 593 H HN 0.483 nan 8.280 nan 0.000 0.571 594 P HA -0.127 nan 4.420 nan 0.000 0.226 594 P C 0.970 178.420 177.300 0.250 0.000 1.146 594 P CA 1.018 64.273 63.100 0.259 0.000 0.773 594 P CB 0.411 32.371 31.700 0.434 0.000 0.772 595 Q N -0.801 119.084 119.800 0.142 0.000 2.137 595 Q HA 0.007 4.347 4.340 0.000 0.000 0.198 595 Q C 0.845 176.878 176.000 0.054 0.000 0.960 595 Q CA 0.243 56.018 55.803 -0.047 0.000 0.847 595 Q CB -1.037 27.623 28.738 -0.129 0.000 0.915 595 Q HN 0.090 nan 8.270 nan 0.000 0.448 596 V N 1.832 121.730 119.914 -0.027 0.000 2.726 596 V HA -0.138 3.982 4.120 0.000 0.000 0.304 596 V C -0.159 175.808 176.094 -0.212 0.000 1.115 596 V CA 0.289 62.460 62.300 -0.214 0.000 1.264 596 V CB 0.027 31.490 31.823 -0.600 0.000 0.867 596 V HN 0.254 nan 8.190 nan 0.000 0.498 597 L N 7.990 129.137 121.223 -0.127 0.000 2.385 597 L HA 0.320 4.660 4.340 0.000 0.000 0.281 597 L C 0.066 176.810 176.870 -0.209 0.000 1.106 597 L CA -0.058 54.695 54.840 -0.145 0.000 0.856 597 L CB 0.966 42.986 42.059 -0.065 0.000 1.186 597 L HN 0.709 nan 8.230 nan 0.000 0.453 598 V N 0.133 119.897 119.914 -0.250 0.000 2.732 598 V HA 0.539 4.659 4.120 0.000 0.000 0.310 598 V C 0.382 176.393 176.094 -0.138 0.000 1.053 598 V CA -0.657 61.495 62.300 -0.247 0.000 0.957 598 V CB 1.602 33.229 31.823 -0.326 0.000 1.018 598 V HN 0.615 nan 8.190 nan 0.000 0.452 599 T N 2.570 117.061 114.554 -0.105 0.000 2.851 599 T HA 0.117 4.467 4.350 0.000 0.000 0.298 599 T C -0.018 174.676 174.700 -0.010 0.000 0.977 599 T CA 0.183 62.254 62.100 -0.049 0.000 1.126 599 T CB 0.252 69.091 68.868 -0.048 0.000 0.916 599 T HN 0.911 nan 8.240 nan 0.000 0.529 600 D N 2.805 123.226 120.400 0.036 0.000 2.426 600 D HA 0.010 4.650 4.640 0.000 0.000 0.261 600 D C 0.955 177.282 176.300 0.046 0.000 1.245 600 D CA 0.306 54.350 54.000 0.074 0.000 0.917 600 D CB 0.528 41.453 40.800 0.207 0.000 1.123 600 D HN 0.513 nan 8.370 nan 0.000 0.508 601 M N 3.035 122.633 119.600 -0.003 0.000 2.349 601 M HA -0.053 4.427 4.480 0.000 0.000 0.266 601 M C 1.884 178.119 176.300 -0.109 0.000 1.076 601 M CA 0.797 56.079 55.300 -0.029 0.000 1.126 601 M CB 0.261 32.840 32.600 -0.035 0.000 1.392 601 M HN 0.224 nan 8.290 nan 0.000 0.440 602 R N -0.834 119.555 120.500 -0.186 0.000 2.093 602 R HA 0.009 4.349 4.340 0.000 0.000 0.224 602 R C -0.289 175.656 176.300 -0.591 0.000 1.101 602 R CA 0.818 56.649 56.100 -0.448 0.000 0.979 602 R CB 0.030 29.969 30.300 -0.602 0.000 0.877 602 R HN 0.208 nan 8.270 nan 0.000 0.441 603 Y N 1.437 121.688 120.300 -0.082 0.000 2.361 603 Y HA 0.196 4.746 4.550 0.000 0.000 0.337 603 Y C -0.479 175.423 175.900 0.003 0.000 0.965 603 Y CA -1.648 56.397 58.100 -0.091 0.000 1.091 603 Y CB 1.323 39.611 38.460 -0.287 0.000 1.182 603 Y HN 0.035 nan 8.280 nan 0.000 0.450 604 E N 1.376 121.665 120.200 0.148 0.000 2.331 604 E HA 0.242 4.592 4.350 0.000 0.000 0.272 604 E C -0.517 176.165 176.600 0.136 0.000 1.036 604 E CA -0.629 55.841 56.400 0.117 0.000 0.864 604 E CB 0.367 30.114 29.700 0.079 0.000 1.035 604 E HN 0.764 nan 8.360 nan 0.000 0.408 605 N N 0.975 119.740 118.700 0.107 0.000 2.716 605 N HA -0.295 4.446 4.740 0.000 0.000 0.250 605 N C -0.070 175.511 175.510 0.117 0.000 1.033 605 N CA 0.596 53.697 53.050 0.085 0.000 0.727 605 N CB -0.899 37.622 38.487 0.057 0.000 0.950 605 N HN 0.660 nan 8.380 nan 0.000 0.541 606 H N -0.303 118.789 119.070 0.038 0.000 2.595 606 H HA 0.317 4.873 4.556 0.000 0.000 0.265 606 H C 1.254 176.587 175.328 0.008 0.000 0.953 606 H CA 1.697 57.760 56.048 0.025 0.000 1.197 606 H CB 0.500 30.299 29.762 0.061 0.000 1.438 606 H HN 0.508 nan 8.280 nan 0.000 0.531 607 G N -0.008 108.770 108.800 -0.036 0.000 2.342 607 G HA2 -0.096 3.864 3.960 0.000 0.000 0.220 607 G HA3 -0.096 3.864 3.960 0.000 0.000 0.220 607 G C -1.256 173.627 174.900 -0.028 0.000 1.243 607 G CA -0.585 44.463 45.100 -0.087 0.000 1.083 607 G HN 0.359 nan 8.290 nan 0.000 0.500 608 R N 0.427 120.901 120.500 -0.043 0.000 2.599 608 R HA 0.643 4.983 4.340 0.000 0.000 0.295 608 R C -0.733 175.550 176.300 -0.029 0.000 0.963 608 R CA -0.833 55.245 56.100 -0.036 0.000 0.883 608 R CB 2.202 32.469 30.300 -0.054 0.000 1.171 608 R HN 0.544 nan 8.270 nan 0.000 0.450 609 E N 2.402 122.570 120.200 -0.053 0.000 2.312 609 E HA 0.356 4.706 4.350 0.000 0.000 0.267 609 E C -2.575 173.885 176.600 -0.233 0.000 0.894 609 E CA -2.354 53.986 56.400 -0.100 0.000 0.773 609 E CB 2.038 31.720 29.700 -0.030 0.000 1.241 609 E HN 0.207 nan 8.360 nan 0.000 0.432 610 P HA -0.023 nan 4.420 nan 0.000 0.266 610 P C 0.634 177.754 177.300 -0.300 0.000 1.195 610 P CA 0.044 62.925 63.100 -0.364 0.000 0.768 610 P CB 0.400 31.775 31.700 -0.542 0.000 0.838 611 M N 4.709 124.163 119.600 -0.244 0.000 2.358 611 M HA -0.097 4.383 4.480 0.000 0.000 0.264 611 M C 1.605 177.788 176.300 -0.194 0.000 1.064 611 M CA 1.404 56.547 55.300 -0.262 0.000 1.093 611 M CB -1.355 31.028 32.600 -0.362 0.000 1.401 611 M HN 0.131 nan 8.290 nan 0.000 0.440 612 V N 0.344 120.170 119.914 -0.147 0.000 2.688 612 V HA -0.260 3.860 4.120 0.000 0.000 0.256 612 V C 2.091 178.034 176.094 -0.252 0.000 1.084 612 V CA 2.448 64.679 62.300 -0.116 0.000 1.103 612 V CB -1.000 30.797 31.823 -0.043 0.000 0.688 612 V HN 0.801 nan 8.190 nan 0.000 0.480 613 T N -1.279 113.051 114.554 -0.373 0.000 2.985 613 T HA -0.143 4.207 4.350 0.000 0.000 0.266 613 T C 1.258 175.859 174.700 -0.165 0.000 1.076 613 T CA 1.255 63.167 62.100 -0.314 0.000 1.135 613 T CB -0.153 68.565 68.868 -0.249 0.000 0.890 613 T HN 0.775 nan 8.240 nan 0.000 0.480 614 Q N -0.386 119.311 119.800 -0.172 0.000 2.023 614 Q HA 0.360 4.700 4.340 0.000 0.000 0.221 614 Q C 1.661 177.557 176.000 -0.173 0.000 0.806 614 Q CA -0.589 55.107 55.803 -0.178 0.000 1.052 614 Q CB 0.066 28.704 28.738 -0.167 0.000 1.229 614 Q HN 0.324 nan 8.270 nan 0.000 0.440 615 R N 1.667 122.070 120.500 -0.161 0.000 2.113 615 R HA -0.142 4.198 4.340 0.000 0.000 0.244 615 R C 0.574 176.780 176.300 -0.157 0.000 1.142 615 R CA 2.118 58.116 56.100 -0.170 0.000 0.953 615 R CB 0.023 30.198 30.300 -0.208 0.000 0.860 615 R HN 0.259 nan 8.270 nan 0.000 0.438 616 N N 0.459 119.050 118.700 -0.182 0.000 2.521 616 N HA -0.063 4.677 4.740 0.000 0.000 0.188 616 N C 1.176 176.550 175.510 -0.227 0.000 1.146 616 N CA 0.514 53.459 53.050 -0.174 0.000 0.893 616 N CB 0.121 38.518 38.487 -0.150 0.000 0.975 616 N HN 0.404 nan 8.380 nan 0.000 0.451 617 I N -0.383 120.039 120.570 -0.247 0.000 3.956 617 I HA -0.048 4.122 4.170 0.000 0.000 0.333 617 I C 1.962 178.029 176.117 -0.083 0.000 1.302 617 I CA 0.066 61.218 61.300 -0.247 0.000 1.122 617 I CB 0.038 37.815 38.000 -0.371 0.000 1.013 617 I HN 0.160 nan 8.210 nan 0.000 0.405 618 H N 1.482 120.473 119.070 -0.132 0.000 2.261 618 H HA -0.120 4.436 4.556 0.000 0.000 0.301 618 H C 2.079 177.291 175.328 -0.194 0.000 1.067 618 H CA 2.003 57.971 56.048 -0.133 0.000 1.297 618 H CB 0.129 29.849 29.762 -0.071 0.000 1.377 618 H HN 0.371 nan 8.280 nan 0.000 0.492 619 A N 0.732 123.538 122.820 -0.023 0.000 1.892 619 A HA -0.282 4.038 4.320 0.000 0.000 0.218 619 A C 2.469 179.967 177.584 -0.144 0.000 1.188 619 A CA 1.880 53.868 52.037 -0.081 0.000 0.631 619 A CB -1.657 17.378 19.000 0.059 0.000 0.822 619 A HN 0.723 nan 8.150 nan 0.000 0.447 620 Y N 1.113 121.332 120.300 -0.135 0.000 2.069 620 Y HA -0.285 4.265 4.550 0.000 0.000 0.278 620 Y C 2.687 178.419 175.900 -0.280 0.000 1.175 620 Y CA 2.676 60.752 58.100 -0.041 0.000 1.134 620 Y CB -0.563 37.930 38.460 0.056 0.000 0.965 620 Y HN 0.332 nan 8.280 nan 0.000 0.498 621 T N 1.204 115.638 114.554 -0.200 0.000 2.821 621 T HA -0.172 4.178 4.350 0.000 0.000 0.267 621 T C 1.726 175.838 174.700 -0.979 0.000 1.046 621 T CA 1.201 63.005 62.100 -0.494 0.000 1.139 621 T CB -0.602 67.986 68.868 -0.466 0.000 0.871 621 T HN 0.346 nan 8.240 nan 0.000 0.454 622 L N 1.304 121.799 121.223 -1.213 0.000 1.970 622 L HA -0.105 4.235 4.340 0.000 0.000 0.212 622 L C 2.469 178.915 176.870 -0.706 0.000 1.071 622 L CA 1.706 55.745 54.840 -1.334 0.000 0.751 622 L CB -1.188 40.325 42.059 -0.911 0.000 0.889 622 L HN 0.286 nan 8.230 nan 0.000 0.432 623 C N -0.074 118.927 119.300 -0.497 0.000 2.413 623 C HA -0.184 4.277 4.460 0.000 0.000 0.276 623 C C 2.704 177.308 174.990 -0.644 0.000 1.236 623 C CA 1.125 59.926 59.018 -0.361 0.000 1.735 623 C CB -1.086 26.544 27.740 -0.182 0.000 2.031 623 C HN 0.720 nan 8.230 nan 0.000 0.474 624 E N 1.052 120.508 120.200 -1.239 0.000 2.097 624 E HA -0.224 4.126 4.350 0.000 0.000 0.196 624 E C 2.069 178.276 176.600 -0.655 0.000 1.000 624 E CA 1.871 57.310 56.400 -1.601 0.000 0.804 624 E CB -0.057 28.736 29.700 -1.512 0.000 0.740 624 E HN 0.637 nan 8.360 nan 0.000 0.454 625 S N -0.119 115.330 115.700 -0.419 0.000 2.368 625 S HA -0.113 4.357 4.470 0.000 0.000 0.224 625 S C 2.038 176.690 174.600 0.088 0.000 1.029 625 S CA 1.458 59.629 58.200 -0.049 0.000 0.988 625 S CB -0.382 62.900 63.200 0.136 0.000 0.838 625 S HN 0.337 nan 8.310 nan 0.000 0.462 626 T N 1.969 116.580 114.554 0.095 0.000 2.759 626 T HA -0.112 4.238 4.350 0.000 0.000 0.269 626 T C 1.925 176.496 174.700 -0.215 0.000 1.042 626 T CA 1.580 63.643 62.100 -0.061 0.000 1.140 626 T CB -0.208 68.680 68.868 0.033 0.000 0.864 626 T HN 0.253 nan 8.240 nan 0.000 0.455 627 R N 1.536 121.933 120.500 -0.172 0.000 2.062 627 R HA 0.064 4.404 4.340 0.000 0.000 0.231 627 R C 2.255 178.508 176.300 -0.078 0.000 1.136 627 R CA 1.749 57.781 56.100 -0.113 0.000 0.948 627 R CB -0.280 29.980 30.300 -0.067 0.000 0.845 627 R HN 0.357 nan 8.270 nan 0.000 0.430 628 K N -0.701 119.648 120.400 -0.085 0.000 2.141 628 K HA -0.001 4.319 4.320 0.000 0.000 0.202 628 K C 1.314 177.906 176.600 -0.014 0.000 1.045 628 K CA 1.202 57.465 56.287 -0.040 0.000 0.971 628 K CB 0.194 32.668 32.500 -0.043 0.000 0.795 628 K HN 0.065 nan 8.250 nan 0.000 0.459 629 E N -0.454 119.748 120.200 0.003 0.000 2.400 629 E HA 0.077 4.427 4.350 0.000 0.000 0.195 629 E C 1.254 177.853 176.600 -0.002 0.000 1.012 629 E CA 0.605 57.025 56.400 0.033 0.000 0.875 629 E CB 0.754 30.513 29.700 0.099 0.000 0.859 629 E HN 0.479 nan 8.360 nan 0.000 0.498 630 G N 0.305 109.060 108.800 -0.074 0.000 2.726 630 G HA2 -0.001 3.959 3.960 0.000 0.000 0.221 630 G HA3 -0.001 3.959 3.960 0.000 0.000 0.221 630 G C 1.462 176.370 174.900 0.014 0.000 1.327 630 G CA -0.045 44.945 45.100 -0.184 0.000 0.884 630 G HN 0.062 nan 8.290 nan 0.000 0.581 631 I N 0.417 120.965 120.570 -0.036 0.000 2.090 631 I HA -0.145 4.025 4.170 0.000 0.000 0.236 631 I C 2.872 178.987 176.117 -0.003 0.000 1.064 631 I CA 0.774 62.085 61.300 0.019 0.000 1.324 631 I CB -0.372 37.613 38.000 -0.025 0.000 1.044 631 I HN 0.014 nan 8.210 nan 0.000 0.399 632 V N 0.446 120.352 119.914 -0.013 0.000 2.295 632 V HA -0.290 3.830 4.120 0.000 0.000 0.246 632 V C 2.276 178.372 176.094 0.003 0.000 1.049 632 V CA 1.979 64.272 62.300 -0.010 0.000 1.024 632 V CB -0.651 31.165 31.823 -0.013 0.000 0.648 632 V HN 0.417 nan 8.190 nan 0.000 0.447 633 E N -0.262 119.946 120.200 0.014 0.000 2.347 633 E HA -0.059 4.291 4.350 0.000 0.000 0.196 633 E C 0.888 177.512 176.600 0.039 0.000 1.008 633 E CA 0.385 56.799 56.400 0.023 0.000 0.852 633 E CB 0.051 29.765 29.700 0.024 0.000 0.783 633 E HN 0.541 nan 8.360 nan 0.000 0.505 634 N N -0.418 118.323 118.700 0.069 0.000 2.416 634 N HA 0.152 4.893 4.740 0.000 0.000 0.267 634 N C 0.382 175.944 175.510 0.086 0.000 1.294 634 N CA 0.054 53.170 53.050 0.110 0.000 0.891 634 N CB 1.314 39.912 38.487 0.184 0.000 1.238 634 N HN 0.014 nan 8.380 nan 0.000 0.508 635 A N 0.404 123.232 122.820 0.014 0.000 1.972 635 A HA -0.153 4.167 4.320 0.000 0.000 0.219 635 A C 1.731 179.293 177.584 -0.037 0.000 1.169 635 A CA 1.304 53.312 52.037 -0.048 0.000 0.635 635 A CB -0.046 18.933 19.000 -0.035 0.000 0.810 635 A HN 0.068 nan 8.150 nan 0.000 0.446 636 D N -0.399 120.003 120.400 0.004 0.000 2.182 636 D HA -0.122 4.518 4.640 0.000 0.000 0.201 636 D C 2.226 178.541 176.300 0.025 0.000 0.986 636 D CA 2.005 56.012 54.000 0.013 0.000 0.847 636 D CB -0.367 40.448 40.800 0.024 0.000 0.942 636 D HN 0.637 nan 8.370 nan 0.000 0.467 637 T N -2.029 112.560 114.554 0.058 0.000 3.088 637 T HA 0.082 4.432 4.350 0.000 0.000 0.259 637 T C 1.141 175.893 174.700 0.087 0.000 1.122 637 T CA -0.206 61.958 62.100 0.107 0.000 1.095 637 T CB -0.149 68.832 68.868 0.188 0.000 0.930 637 T HN -0.055 nan 8.240 nan 0.000 0.508 638 L N 2.571 123.756 121.223 -0.063 0.000 2.482 638 L HA 0.229 4.569 4.340 0.000 0.000 0.273 638 L C 1.993 178.850 176.870 -0.022 0.000 1.228 638 L CA 0.325 55.072 54.840 -0.156 0.000 0.827 638 L CB 0.826 42.705 42.059 -0.299 0.000 1.099 638 L HN 0.398 nan 8.230 nan 0.000 0.494 639 T N -1.972 112.597 114.554 0.025 0.000 3.535 639 T HA 0.062 4.412 4.350 0.000 0.000 0.223 639 T C 1.507 176.163 174.700 -0.074 0.000 0.933 639 T CA -0.137 61.980 62.100 0.028 0.000 1.445 639 T CB -0.171 68.774 68.868 0.129 0.000 1.286 639 T HN 0.380 nan 8.240 nan 0.000 0.436 640 K N 0.069 120.384 120.400 -0.142 0.000 2.103 640 K HA 0.188 4.508 4.320 0.000 0.000 0.204 640 K C -0.534 175.727 176.600 -0.565 0.000 1.052 640 K CA 0.748 56.800 56.287 -0.392 0.000 0.945 640 K CB 0.018 32.174 32.500 -0.574 0.000 0.722 640 K HN 0.359 nan 8.250 nan 0.000 0.443 641 F N -0.288 119.643 119.950 -0.032 0.000 2.539 641 F HA 0.342 4.869 4.527 0.000 0.000 0.318 641 F C 0.971 176.759 175.800 -0.020 0.000 1.135 641 F CA -0.838 57.176 58.000 0.022 0.000 0.915 641 F CB 1.600 40.702 39.000 0.170 0.000 1.176 641 F HN -0.275 nan 8.300 nan 0.000 0.440 642 R N 1.460 122.017 120.500 0.095 0.000 2.240 642 R HA 0.140 4.480 4.340 0.000 0.000 0.203 642 R C 0.690 176.991 176.300 0.001 0.000 1.011 642 R CA 0.316 56.422 56.100 0.010 0.000 1.007 642 R CB 0.268 30.562 30.300 -0.009 0.000 0.911 642 R HN 0.600 nan 8.270 nan 0.000 0.468 643 R N 0.487 121.016 120.500 0.049 0.000 2.349 643 R HA 0.187 4.527 4.340 0.000 0.000 0.299 643 R C -1.032 175.268 176.300 0.001 0.000 1.027 643 R CA -0.021 56.080 56.100 0.002 0.000 0.958 643 R CB 1.590 31.879 30.300 -0.017 0.000 1.047 643 R HN -0.027 nan 8.270 nan 0.000 0.468 644 S N 1.895 117.591 115.700 -0.007 0.000 2.900 644 S HA 0.628 5.098 4.470 0.000 0.000 0.320 644 S C -1.969 172.708 174.600 0.128 0.000 1.130 644 S CA -0.511 57.724 58.200 0.058 0.000 0.863 644 S CB 1.002 64.232 63.200 0.050 0.000 1.295 644 S HN 0.525 nan 8.310 nan 0.000 0.596 645 Y N -0.299 120.003 120.300 0.002 0.000 2.656 645 Y HA 0.619 5.169 4.550 0.000 0.000 0.334 645 Y C -1.710 174.244 175.900 0.090 0.000 1.179 645 Y CA -0.945 57.130 58.100 -0.042 0.000 1.050 645 Y CB 1.019 39.336 38.460 -0.238 0.000 1.308 645 Y HN 0.608 nan 8.280 nan 0.000 0.456 646 I N 4.667 124.932 120.570 -0.508 0.000 2.465 646 I HA 0.399 4.570 4.170 0.000 0.000 0.291 646 I C -1.151 174.697 176.117 -0.448 0.000 1.014 646 I CA -0.799 60.314 61.300 -0.312 0.000 1.093 646 I CB 1.746 39.598 38.000 -0.247 0.000 1.267 646 I HN 0.292 nan 8.210 nan 0.000 0.431 647 I N 4.705 125.125 120.570 -0.251 0.000 2.330 647 I HA 0.266 4.436 4.170 0.000 0.000 0.286 647 I C 0.268 176.430 176.117 0.074 0.000 1.025 647 I CA 0.005 61.125 61.300 -0.299 0.000 1.197 647 I CB 0.965 38.523 38.000 -0.737 0.000 1.358 647 I HN 0.492 nan 8.210 nan 0.000 0.467 648 S N 5.759 121.497 115.700 0.063 0.000 2.608 648 S HA 0.440 4.910 4.470 0.000 0.000 0.291 648 S C 1.073 175.689 174.600 0.027 0.000 1.146 648 S CA -0.470 57.816 58.200 0.144 0.000 1.043 648 S CB 1.642 64.860 63.200 0.031 0.000 1.037 648 S HN 0.677 nan 8.310 nan 0.000 0.520 649 R N 1.639 122.044 120.500 -0.158 0.000 2.254 649 R HA 0.249 4.589 4.340 0.000 0.000 0.195 649 R C 0.750 176.895 176.300 -0.258 0.000 0.957 649 R CA 0.508 56.190 56.100 -0.698 0.000 1.024 649 R CB 0.075 29.839 30.300 -0.892 0.000 0.952 649 R HN 0.702 nan 8.270 nan 0.000 0.484 650 G N -1.358 107.425 108.800 -0.029 0.000 2.672 650 G HA2 0.602 4.562 3.960 0.000 0.000 0.292 650 G HA3 0.602 4.562 3.960 0.000 0.000 0.292 650 G C -0.996 174.016 174.900 0.187 0.000 1.375 650 G CA -0.173 44.996 45.100 0.116 0.000 0.890 650 G HN 0.283 nan 8.290 nan 0.000 0.476 651 G N -1.422 107.519 108.800 0.235 0.000 2.333 651 G HA2 0.531 4.491 3.960 0.000 0.000 0.288 651 G HA3 0.531 4.491 3.960 0.000 0.000 0.288 651 G C -2.182 172.668 174.900 -0.082 0.000 1.286 651 G CA -0.234 44.994 45.100 0.214 0.000 0.865 651 G HN 1.446 nan 8.290 nan 0.000 0.506 652 Y N -0.485 119.681 120.300 -0.223 0.000 2.677 652 Y HA 0.701 5.251 4.550 0.000 0.000 0.334 652 Y C 0.089 175.803 175.900 -0.311 0.000 1.154 652 Y CA -1.535 56.304 58.100 -0.434 0.000 1.070 652 Y CB 1.291 39.626 38.460 -0.208 0.000 1.294 652 Y HN 0.585 nan 8.280 nan 0.000 0.475 653 I N 3.185 123.134 120.570 -1.035 0.000 2.906 653 I HA 0.084 4.254 4.170 0.000 0.000 0.302 653 I C 1.282 177.191 176.117 -0.347 0.000 1.220 653 I CA 2.190 63.063 61.300 -0.711 0.000 1.441 653 I CB -0.389 37.032 38.000 -0.965 0.000 1.336 653 I HN 0.947 nan 8.210 nan 0.000 0.565 654 G N 5.199 113.837 108.800 -0.270 0.000 2.218 654 G HA2 -0.270 3.690 3.960 0.000 0.000 0.216 654 G HA3 -0.270 3.690 3.960 0.000 0.000 0.216 654 G C 1.087 175.807 174.900 -0.300 0.000 0.994 654 G CA 0.240 45.251 45.100 -0.148 0.000 0.637 654 G HN 0.610 nan 8.290 nan 0.000 0.505 655 N N 0.856 119.453 118.700 -0.172 0.000 2.272 655 N HA -0.159 4.581 4.740 0.000 0.000 0.185 655 N C 2.401 177.603 175.510 -0.513 0.000 1.014 655 N CA 1.614 54.479 53.050 -0.307 0.000 0.870 655 N CB -0.058 38.519 38.487 0.151 0.000 0.975 655 N HN 0.758 nan 8.380 nan 0.000 0.433 656 Q N 0.086 119.608 119.800 -0.463 0.000 2.368 656 Q HA -0.184 4.156 4.340 0.000 0.000 0.210 656 Q C 0.574 176.241 176.000 -0.554 0.000 0.982 656 Q CA 1.488 57.012 55.803 -0.464 0.000 0.884 656 Q CB -0.955 27.503 28.738 -0.467 0.000 0.933 656 Q HN 0.617 nan 8.270 nan 0.000 0.460 657 H N -1.147 117.524 119.070 -0.666 0.000 2.555 657 H HA 0.061 4.618 4.556 0.000 0.000 0.269 657 H C 0.507 175.533 175.328 -0.505 0.000 0.988 657 H CA 0.855 56.528 56.048 -0.625 0.000 1.178 657 H CB 0.225 29.580 29.762 -0.680 0.000 1.373 657 H HN 0.249 nan 8.280 nan 0.000 0.588 658 F N -1.354 118.493 119.950 -0.173 0.000 2.602 658 F HA 0.427 4.954 4.527 0.000 0.000 0.284 658 F C 1.430 177.011 175.800 -0.365 0.000 1.111 658 F CA 0.519 58.374 58.000 -0.242 0.000 1.405 658 F CB 0.347 39.171 39.000 -0.293 0.000 1.121 658 F HN 0.121 nan 8.300 nan 0.000 0.603 659 G N -0.830 107.761 108.800 -0.350 0.000 2.360 659 G HA2 0.429 4.389 3.960 0.000 0.000 0.276 659 G HA3 0.429 4.389 3.960 0.000 0.000 0.276 659 G C -0.568 174.013 174.900 -0.532 0.000 1.256 659 G CA -0.220 44.367 45.100 -0.855 0.000 0.890 659 G HN 0.383 nan 8.290 nan 0.000 0.486 660 G N -1.372 107.088 108.800 -0.566 0.000 3.008 660 G HA2 0.707 4.667 3.960 0.000 0.000 0.181 660 G HA3 0.707 4.667 3.960 0.000 0.000 0.181 660 G C -0.511 174.249 174.900 -0.233 0.000 1.309 660 G CA -0.624 44.335 45.100 -0.235 0.000 1.009 660 G HN 0.635 nan 8.290 nan 0.000 0.584 661 M N -0.595 118.897 119.600 -0.181 0.000 2.520 661 M HA 0.341 4.821 4.480 0.000 0.000 0.283 661 M C -2.013 174.302 176.300 0.026 0.000 1.237 661 M CA -0.327 54.902 55.300 -0.118 0.000 0.885 661 M CB 2.363 34.827 32.600 -0.226 0.000 1.727 661 M HN 0.859 nan 8.290 nan 0.000 0.468 662 W N 0.999 122.210 121.300 -0.148 0.000 2.736 662 W HA 0.710 5.370 4.660 0.000 0.000 0.335 662 W C -0.989 175.502 176.519 -0.047 0.000 1.059 662 W CA -1.030 56.316 57.345 0.002 0.000 1.226 662 W CB 0.675 30.196 29.460 0.102 0.000 1.416 662 W HN 0.287 nan 8.180 nan 0.000 0.505 663 V N 7.061 126.930 119.914 -0.074 0.000 2.670 663 V HA 0.265 4.385 4.120 0.000 0.000 0.344 663 V C 1.421 177.327 176.094 -0.313 0.000 1.648 663 V CA 0.870 63.053 62.300 -0.195 0.000 1.673 663 V CB -1.640 30.222 31.823 0.065 0.000 1.382 663 V HN 1.255 nan 8.190 nan 0.000 0.503 664 G N 2.048 110.199 108.800 -1.081 0.000 2.594 664 G HA2 -0.278 3.682 3.960 0.000 0.000 0.297 664 G HA3 -0.278 3.682 3.960 0.000 0.000 0.297 664 G C -0.136 174.690 174.900 -0.123 0.000 1.273 664 G CA 0.326 44.804 45.100 -1.037 0.000 0.974 664 G HN 0.559 nan 8.290 nan 0.000 0.552 665 D N 2.600 123.032 120.400 0.054 0.000 2.524 665 D HA 0.318 4.958 4.640 0.000 0.000 0.222 665 D C 0.979 177.321 176.300 0.070 0.000 1.142 665 D CA -0.115 53.973 54.000 0.147 0.000 0.973 665 D CB -0.170 40.766 40.800 0.225 0.000 1.025 665 D HN 0.578 nan 8.370 nan 0.000 0.519 666 N N -0.199 118.493 118.700 -0.014 0.000 2.327 666 N HA 0.172 4.912 4.740 0.000 0.000 0.257 666 N C 0.053 175.240 175.510 -0.538 0.000 1.281 666 N CA -0.421 52.327 53.050 -0.503 0.000 0.942 666 N CB 0.723 39.161 38.487 -0.082 0.000 1.199 666 N HN 0.056 nan 8.380 nan 0.000 0.532 667 S N -2.758 112.213 115.700 -1.216 0.000 2.874 667 S HA 0.568 5.038 4.470 0.000 0.000 0.318 667 S C -0.905 173.547 174.600 -0.246 0.000 1.109 667 S CA -0.701 57.123 58.200 -0.627 0.000 0.878 667 S CB 0.404 63.262 63.200 -0.571 0.000 1.307 667 S HN 0.587 nan 8.310 nan 0.000 0.592 668 T N 2.011 116.567 114.554 0.003 0.000 3.400 668 T HA 0.485 4.835 4.350 0.000 0.000 0.362 668 T C -0.548 174.160 174.700 0.015 0.000 1.823 668 T CA -0.401 61.729 62.100 0.049 0.000 1.374 668 T CB -0.451 68.371 68.868 -0.076 0.000 1.130 668 T HN 0.684 nan 8.240 nan 0.000 0.744 669 T N -2.337 112.349 114.554 0.220 0.000 2.900 669 T HA 0.429 4.779 4.350 0.000 0.000 0.303 669 T C 1.275 175.994 174.700 0.032 0.000 1.142 669 T CA -0.701 61.488 62.100 0.148 0.000 1.007 669 T CB 1.730 70.749 68.868 0.252 0.000 1.156 669 T HN -0.085 nan 8.240 nan 0.000 0.490 670 S N 1.497 117.168 115.700 -0.048 0.000 2.389 670 S HA -0.211 4.259 4.470 0.000 0.000 0.231 670 S C 1.850 176.242 174.600 -0.347 0.000 1.052 670 S CA 2.209 60.276 58.200 -0.222 0.000 1.053 670 S CB -0.787 62.313 63.200 -0.167 0.000 0.886 670 S HN 0.841 nan 8.310 nan 0.000 0.456 671 N N -0.544 118.009 118.700 -0.245 0.000 2.223 671 N HA -0.111 4.629 4.740 0.000 0.000 0.185 671 N C 1.150 176.405 175.510 -0.424 0.000 1.016 671 N CA 1.147 54.013 53.050 -0.307 0.000 0.863 671 N CB -0.170 38.180 38.487 -0.229 0.000 0.983 671 N HN 0.441 nan 8.380 nan 0.000 0.429 672 Y N 0.498 120.694 120.300 -0.172 0.000 2.544 672 Y HA 0.143 4.693 4.550 0.000 0.000 0.286 672 Y C 1.776 177.616 175.900 -0.100 0.000 1.141 672 Y CA 0.205 58.256 58.100 -0.082 0.000 1.299 672 Y CB 0.078 38.562 38.460 0.040 0.000 1.030 672 Y HN 0.070 nan 8.280 nan 0.000 0.543 673 I N -0.417 120.022 120.570 -0.218 0.000 2.233 673 I HA -0.300 3.870 4.170 0.000 0.000 0.243 673 I C 2.069 178.089 176.117 -0.162 0.000 1.093 673 I CA 1.294 62.370 61.300 -0.372 0.000 1.380 673 I CB -0.279 37.372 38.000 -0.582 0.000 1.067 673 I HN 0.210 nan 8.210 nan 0.000 0.413 674 Q N 0.235 119.922 119.800 -0.189 0.000 2.061 674 Q HA -0.229 4.111 4.340 0.000 0.000 0.204 674 Q C 2.278 178.272 176.000 -0.010 0.000 0.984 674 Q CA 1.672 57.413 55.803 -0.104 0.000 0.846 674 Q CB -0.224 28.439 28.738 -0.126 0.000 0.902 674 Q HN 0.514 nan 8.270 nan 0.000 0.421 675 M N -0.059 119.520 119.600 -0.035 0.000 2.229 675 M HA -0.127 4.353 4.480 0.000 0.000 0.264 675 M C 2.357 178.726 176.300 0.116 0.000 1.063 675 M CA 1.122 56.445 55.300 0.038 0.000 1.114 675 M CB -0.274 32.328 32.600 0.003 0.000 1.387 675 M HN 0.360 nan 8.290 nan 0.000 0.420 676 M N 0.916 120.602 119.600 0.144 0.000 2.086 676 M HA -0.205 4.275 4.480 0.000 0.000 0.261 676 M C 1.897 178.237 176.300 0.067 0.000 1.067 676 M CA 1.939 57.339 55.300 0.166 0.000 1.116 676 M CB -0.183 32.558 32.600 0.234 0.000 1.348 676 M HN 0.154 nan 8.290 nan 0.000 0.407 677 I N 0.993 121.572 120.570 0.016 0.000 2.142 677 I HA -0.245 3.926 4.170 0.000 0.000 0.240 677 I C 2.819 178.910 176.117 -0.044 0.000 1.078 677 I CA 1.494 62.751 61.300 -0.071 0.000 1.343 677 I CB -0.785 37.200 38.000 -0.025 0.000 1.046 677 I HN 0.454 nan 8.210 nan 0.000 0.405 678 A N 0.690 123.528 122.820 0.030 0.000 1.883 678 A HA -0.282 4.038 4.320 0.000 0.000 0.217 678 A C 2.083 179.697 177.584 0.049 0.000 1.186 678 A CA 2.462 54.535 52.037 0.061 0.000 0.624 678 A CB -1.237 17.823 19.000 0.100 0.000 0.822 678 A HN 0.533 nan 8.150 nan 0.000 0.444 679 N N -0.374 118.354 118.700 0.047 0.000 2.104 679 N HA -0.180 4.560 4.740 0.000 0.000 0.190 679 N C 1.894 177.411 175.510 0.012 0.000 1.024 679 N CA 1.053 54.123 53.050 0.033 0.000 0.853 679 N CB -0.189 38.323 38.487 0.041 0.000 1.008 679 N HN 0.535 nan 8.380 nan 0.000 0.424 680 N N 1.407 120.105 118.700 -0.003 0.000 2.058 680 N HA -0.098 4.642 4.740 0.000 0.000 0.191 680 N C 1.736 177.219 175.510 -0.045 0.000 1.037 680 N CA 1.018 54.049 53.050 -0.033 0.000 0.848 680 N CB -0.023 38.413 38.487 -0.084 0.000 1.021 680 N HN 0.209 nan 8.380 nan 0.000 0.422 681 I N 1.302 121.839 120.570 -0.054 0.000 2.179 681 I HA -0.258 3.912 4.170 0.000 0.000 0.242 681 I C 1.865 178.012 176.117 0.051 0.000 1.088 681 I CA 0.931 62.227 61.300 -0.007 0.000 1.357 681 I CB -0.334 37.678 38.000 0.020 0.000 1.051 681 I HN 0.120 nan 8.210 nan 0.000 0.409 682 N N 0.269 119.011 118.700 0.070 0.000 2.216 682 N HA -0.084 4.656 4.740 0.000 0.000 0.183 682 N C 1.838 177.412 175.510 0.106 0.000 1.017 682 N CA 1.183 54.302 53.050 0.114 0.000 0.861 682 N CB -0.145 38.413 38.487 0.119 0.000 0.986 682 N HN 0.253 nan 8.380 nan 0.000 0.428 683 M N 0.742 120.365 119.600 0.039 0.000 2.229 683 M HA -0.025 4.455 4.480 0.000 0.000 0.264 683 M C 1.527 177.812 176.300 -0.026 0.000 1.063 683 M CA 0.725 56.011 55.300 -0.024 0.000 1.114 683 M CB -0.873 31.654 32.600 -0.121 0.000 1.387 683 M HN 0.153 nan 8.290 nan 0.000 0.420 684 N N 1.003 119.699 118.700 -0.007 0.000 2.166 684 N HA -0.120 4.620 4.740 0.000 0.000 0.186 684 N C 1.637 177.161 175.510 0.024 0.000 1.019 684 N CA 1.526 54.569 53.050 -0.011 0.000 0.856 684 N CB -0.135 38.347 38.487 -0.008 0.000 0.993 684 N HN 0.522 nan 8.380 nan 0.000 0.426 685 M N -1.531 118.126 119.600 0.095 0.000 2.561 685 M HA 0.238 4.718 4.480 0.000 0.000 0.238 685 M C 0.809 177.294 176.300 0.308 0.000 1.131 685 M CA 0.733 56.145 55.300 0.187 0.000 1.046 685 M CB 0.424 33.145 32.600 0.203 0.000 1.532 685 M HN -0.219 nan 8.290 nan 0.000 0.497 686 S N -0.051 115.760 115.700 0.185 0.000 2.605 686 S HA 0.159 4.629 4.470 0.000 0.000 0.217 686 S C 0.589 175.105 174.600 -0.140 0.000 0.958 686 S CA -0.035 58.224 58.200 0.098 0.000 0.919 686 S CB -0.592 62.725 63.200 0.195 0.000 0.780 686 S HN 0.747 nan 8.310 nan 0.000 0.507 687 C N 1.454 120.670 119.300 -0.140 0.000 4.507 687 C HA -0.107 4.354 4.460 0.000 0.000 0.285 687 C C 0.040 174.881 174.990 -0.247 0.000 1.335 687 C CA -0.241 58.626 59.018 -0.253 0.000 1.953 687 C CB -2.268 25.191 27.740 -0.470 0.000 1.262 687 C HN 0.547 nan 8.230 nan 0.000 0.776 688 L N 2.483 123.598 121.223 -0.179 0.000 2.387 688 L HA 0.329 4.670 4.340 0.000 0.000 0.259 688 L C -0.706 176.077 176.870 -0.144 0.000 1.050 688 L CA -1.302 53.415 54.840 -0.204 0.000 0.922 688 L CB 1.113 42.986 42.059 -0.311 0.000 1.280 688 L HN 0.023 nan 8.230 nan 0.000 0.449 689 P HA -0.112 nan 4.420 nan 0.000 0.214 689 P C 0.697 177.996 177.300 -0.002 0.000 1.162 689 P CA 0.671 63.733 63.100 -0.064 0.000 0.874 689 P CB 0.903 32.557 31.700 -0.077 0.000 0.784 690 L N 0.882 122.114 121.223 0.015 0.000 2.315 690 L HA 0.395 4.735 4.340 0.000 0.000 0.278 690 L C -0.461 176.451 176.870 0.070 0.000 1.088 690 L CA -0.446 54.451 54.840 0.096 0.000 0.899 690 L CB 0.465 42.589 42.059 0.109 0.000 1.277 690 L HN -0.200 nan 8.230 nan 0.000 0.431 691 V N 3.811 123.796 119.914 0.118 0.000 3.160 691 V HA 1.022 5.143 4.120 0.000 0.000 0.310 691 V C -0.348 175.905 176.094 0.264 0.000 1.181 691 V CA 0.131 62.497 62.300 0.110 0.000 1.047 691 V CB 2.391 34.205 31.823 -0.014 0.000 1.068 691 V HN 0.707 nan 8.190 nan 0.000 0.441 692 G N 1.456 110.448 108.800 0.321 0.000 2.355 692 G HA2 0.523 4.483 3.960 0.000 0.000 0.296 692 G HA3 0.523 4.483 3.960 0.000 0.000 0.296 692 G C -1.405 173.761 174.900 0.444 0.000 1.507 692 G CA -0.011 45.330 45.100 0.402 0.000 0.823 692 G HN 0.957 nan 8.290 nan 0.000 0.569 693 S N -0.183 115.755 115.700 0.397 0.000 2.664 693 S HA 0.630 5.100 4.470 0.000 0.000 0.304 693 S C -0.958 173.868 174.600 0.377 0.000 1.099 693 S CA -0.850 57.601 58.200 0.419 0.000 1.003 693 S CB 1.591 65.031 63.200 0.400 0.000 1.092 693 S HN 0.562 nan 8.310 nan 0.000 0.525 694 D N 1.955 122.570 120.400 0.358 0.000 2.382 694 D HA 0.145 4.785 4.640 0.000 0.000 0.259 694 D C -0.051 176.274 176.300 0.041 0.000 1.224 694 D CA -0.050 54.085 54.000 0.225 0.000 0.894 694 D CB 0.207 41.185 40.800 0.297 0.000 1.127 694 D HN 0.206 nan 8.370 nan 0.000 0.487 695 I N 2.089 122.669 120.570 0.017 0.000 2.581 695 I HA 0.097 4.267 4.170 0.000 0.000 0.285 695 I C 1.774 177.651 176.117 -0.399 0.000 1.129 695 I CA 0.647 61.882 61.300 -0.109 0.000 1.397 695 I CB -0.161 37.918 38.000 0.131 0.000 1.399 695 I HN 0.744 nan 8.210 nan 0.000 0.537 696 G N 4.512 112.576 108.800 -1.227 0.000 2.232 696 G HA2 -0.029 3.931 3.960 0.000 0.000 0.226 696 G HA3 -0.029 3.931 3.960 0.000 0.000 0.226 696 G C 0.628 175.116 174.900 -0.686 0.000 0.996 696 G CA 0.116 44.656 45.100 -0.934 0.000 0.626 696 G HN 1.658 nan 8.290 nan 0.000 0.509 697 G N -1.421 107.063 108.800 -0.528 0.000 2.879 697 G HA2 0.196 4.156 3.960 0.000 0.000 0.686 697 G HA3 0.196 4.156 3.960 0.000 0.000 0.686 697 G C 0.124 175.051 174.900 0.045 0.000 1.115 697 G CA 0.211 45.242 45.100 -0.114 0.000 0.770 697 G HN 1.570 nan 8.290 nan 0.000 0.601 698 F N 2.262 122.200 119.950 -0.020 0.000 2.147 698 F HA 0.269 4.796 4.527 0.000 0.000 0.291 698 F C 2.097 177.951 175.800 0.090 0.000 1.093 698 F CA 2.036 60.068 58.000 0.054 0.000 1.263 698 F CB -0.205 38.863 39.000 0.112 0.000 1.036 698 F HN 0.972 nan 8.300 nan 0.000 0.481 699 T N -0.286 114.241 114.554 -0.044 0.000 2.874 699 T HA 0.351 4.702 4.350 0.000 0.000 0.281 699 T C 0.352 175.051 174.700 -0.002 0.000 0.994 699 T CA -0.574 61.458 62.100 -0.113 0.000 1.015 699 T CB 0.934 69.838 68.868 0.060 0.000 1.028 699 T HN 0.199 nan 8.240 nan 0.000 0.523 700 S N 1.282 116.993 115.700 0.018 0.000 2.558 700 S HA 0.119 4.590 4.470 0.000 0.000 0.287 700 S C 0.367 175.036 174.600 0.114 0.000 1.321 700 S CA -0.058 58.175 58.200 0.054 0.000 1.048 700 S CB -0.236 62.972 63.200 0.013 0.000 0.844 700 S HN 0.938 nan 8.310 nan 0.000 0.512 701 Y N -0.447 119.865 120.300 0.020 0.000 2.526 701 Y HA 0.428 4.978 4.550 0.000 0.000 0.265 701 Y C 0.345 176.278 175.900 0.055 0.000 1.092 701 Y CA -0.598 57.532 58.100 0.051 0.000 1.277 701 Y CB 0.081 38.583 38.460 0.069 0.000 1.228 701 Y HN 0.458 nan 8.280 nan 0.000 0.507 702 D N 2.284 122.228 120.400 -0.759 0.000 2.352 702 D HA 0.034 4.674 4.640 0.000 0.000 0.245 702 D C 0.239 176.417 176.300 -0.203 0.000 1.224 702 D CA 0.163 53.854 54.000 -0.515 0.000 0.879 702 D CB 0.443 40.850 40.800 -0.655 0.000 1.057 702 D HN 0.315 nan 8.370 nan 0.000 0.491 703 N N 2.916 121.568 118.700 -0.080 0.000 2.443 703 N HA -0.125 4.615 4.740 0.000 0.000 0.184 703 N C 1.057 176.542 175.510 -0.041 0.000 1.037 703 N CA 0.654 53.685 53.050 -0.032 0.000 0.896 703 N CB 0.397 38.891 38.487 0.011 0.000 0.959 703 N HN 0.551 nan 8.380 nan 0.000 0.442 704 E N 0.210 120.373 120.200 -0.062 0.000 2.075 704 E HA 0.035 4.385 4.350 0.000 0.000 0.190 704 E C 0.255 176.810 176.600 -0.076 0.000 0.969 704 E CA 0.596 56.964 56.400 -0.055 0.000 0.815 704 E CB -0.088 29.585 29.700 -0.045 0.000 0.776 704 E HN 0.126 nan 8.360 nan 0.000 0.457 705 N N 0.865 119.494 118.700 -0.118 0.000 2.577 705 N HA 0.008 4.748 4.740 0.000 0.000 0.275 705 N C 0.488 175.893 175.510 -0.175 0.000 1.091 705 N CA -0.040 52.928 53.050 -0.136 0.000 0.843 705 N CB 1.237 39.638 38.487 -0.143 0.000 1.295 705 N HN -0.034 nan 8.380 nan 0.000 0.530 706 Q N 1.924 121.652 119.800 -0.121 0.000 2.308 706 Q HA -0.129 4.211 4.340 0.000 0.000 0.209 706 Q C 0.554 176.486 176.000 -0.113 0.000 0.985 706 Q CA 1.442 57.188 55.803 -0.094 0.000 0.881 706 Q CB 0.044 28.792 28.738 0.017 0.000 0.917 706 Q HN 0.436 nan 8.270 nan 0.000 0.443 707 R N 0.357 120.761 120.500 -0.160 0.000 2.276 707 R HA 0.106 4.446 4.340 0.000 0.000 0.196 707 R C 0.103 176.280 176.300 -0.206 0.000 0.961 707 R CA 0.472 56.463 56.100 -0.182 0.000 1.024 707 R CB 0.273 30.375 30.300 -0.331 0.000 0.940 707 R HN 0.138 nan 8.270 nan 0.000 0.480 708 T N 4.545 118.961 114.554 -0.231 0.000 2.792 708 T HA 0.047 4.398 4.350 0.000 0.000 0.286 708 T C -2.138 172.472 174.700 -0.150 0.000 0.970 708 T CA -0.711 61.260 62.100 -0.214 0.000 1.187 708 T CB 0.749 69.477 68.868 -0.235 0.000 0.915 708 T HN 0.086 nan 8.240 nan 0.000 0.529 709 P HA 0.153 nan 4.420 nan 0.000 0.274 709 P C 0.382 177.828 177.300 0.244 0.000 1.246 709 P CA -0.860 62.182 63.100 -0.096 0.000 0.795 709 P CB 0.515 31.853 31.700 -0.603 0.000 1.006 710 C N 2.266 121.673 119.300 0.177 0.000 2.378 710 C HA 0.059 4.519 4.460 0.000 0.000 0.395 710 C C 1.614 176.693 174.990 0.147 0.000 1.476 710 C CA 0.722 59.759 59.018 0.032 0.000 1.541 710 C CB -1.657 26.070 27.740 -0.021 0.000 2.524 710 C HN 0.781 nan 8.230 nan 0.000 0.595 711 T N 3.499 118.097 114.554 0.074 0.000 2.748 711 T HA 0.314 4.664 4.350 0.000 0.000 0.304 711 T C 1.433 176.190 174.700 0.097 0.000 1.041 711 T CA 0.164 62.346 62.100 0.136 0.000 1.033 711 T CB 0.969 69.889 68.868 0.087 0.000 0.995 711 T HN 0.988 nan 8.240 nan 0.000 0.536 712 G N 0.184 109.072 108.800 0.147 0.000 2.446 712 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 712 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 712 G C 1.205 176.063 174.900 -0.070 0.000 1.168 712 G CA 1.095 46.212 45.100 0.028 0.000 0.771 712 G HN 0.921 nan 8.290 nan 0.000 0.551 713 D N -0.658 119.738 120.400 -0.007 0.000 2.183 713 D HA -0.035 4.605 4.640 0.000 0.000 0.203 713 D C 2.320 178.603 176.300 -0.029 0.000 0.969 713 D CA 0.386 54.379 54.000 -0.012 0.000 0.842 713 D CB -0.093 40.720 40.800 0.020 0.000 0.957 713 D HN 0.196 nan 8.370 nan 0.000 0.484 714 L N -0.092 121.114 121.223 -0.028 0.000 2.005 714 L HA -0.039 4.302 4.340 0.000 0.000 0.207 714 L C 2.224 179.115 176.870 0.035 0.000 1.072 714 L CA 1.433 56.266 54.840 -0.012 0.000 0.744 714 L CB -0.645 41.404 42.059 -0.017 0.000 0.895 714 L HN 0.133 nan 8.230 nan 0.000 0.433 715 M N -1.170 118.402 119.600 -0.047 0.000 2.089 715 M HA -0.220 4.260 4.480 0.000 0.000 0.257 715 M C 2.073 178.334 176.300 -0.065 0.000 1.071 715 M CA 2.028 57.263 55.300 -0.109 0.000 1.096 715 M CB -0.670 31.627 32.600 -0.505 0.000 1.330 715 M HN 0.116 nan 8.290 nan 0.000 0.403 716 V N 0.497 120.343 119.914 -0.113 0.000 2.233 716 V HA -0.333 3.787 4.120 0.000 0.000 0.247 716 V C 2.565 178.591 176.094 -0.114 0.000 1.050 716 V CA 2.091 64.326 62.300 -0.109 0.000 1.010 716 V CB -0.869 30.892 31.823 -0.103 0.000 0.637 716 V HN 0.417 nan 8.190 nan 0.000 0.444 717 R N -1.192 119.260 120.500 -0.081 0.000 2.120 717 R HA -0.146 4.194 4.340 0.000 0.000 0.234 717 R C 2.047 178.320 176.300 -0.044 0.000 1.123 717 R CA 1.405 57.448 56.100 -0.094 0.000 0.975 717 R CB -1.139 29.105 30.300 -0.094 0.000 0.866 717 R HN 0.565 nan 8.270 nan 0.000 0.446 718 Y N 0.663 120.934 120.300 -0.050 0.000 2.133 718 Y HA -0.173 4.377 4.550 0.000 0.000 0.287 718 Y C 2.488 178.429 175.900 0.068 0.000 1.134 718 Y CA 1.171 59.281 58.100 0.016 0.000 1.133 718 Y CB -0.436 38.035 38.460 0.017 0.000 0.987 718 Y HN -0.252 nan 8.280 nan 0.000 0.502 719 V N -0.115 119.945 119.914 0.244 0.000 2.358 719 V HA -0.328 3.792 4.120 0.000 0.000 0.246 719 V C 2.138 178.299 176.094 0.112 0.000 1.047 719 V CA 2.037 64.504 62.300 0.278 0.000 1.035 719 V CB -0.734 31.218 31.823 0.216 0.000 0.658 719 V HN 0.409 nan 8.190 nan 0.000 0.452 720 Q N 0.030 119.755 119.800 -0.126 0.000 2.045 720 Q HA -0.242 4.098 4.340 0.000 0.000 0.206 720 Q C 2.415 178.406 176.000 -0.015 0.000 0.991 720 Q CA 2.094 57.720 55.803 -0.295 0.000 0.851 720 Q CB -0.488 27.912 28.738 -0.564 0.000 0.911 720 Q HN 0.670 nan 8.270 nan 0.000 0.418 721 A N 0.329 123.166 122.820 0.029 0.000 1.972 721 A HA -0.080 4.240 4.320 0.000 0.000 0.219 721 A C 2.071 179.760 177.584 0.175 0.000 1.169 721 A CA 1.606 53.712 52.037 0.115 0.000 0.635 721 A CB -0.617 18.417 19.000 0.058 0.000 0.810 721 A HN 0.481 nan 8.150 nan 0.000 0.446 722 G N -1.223 107.676 108.800 0.165 0.000 3.088 722 G HA2 0.055 4.015 3.960 0.000 0.000 0.217 722 G HA3 0.055 4.015 3.960 0.000 0.000 0.217 722 G C 1.289 176.071 174.900 -0.198 0.000 1.159 722 G CA 0.815 46.004 45.100 0.149 0.000 0.760 722 G HN 0.853 nan 8.290 nan 0.000 0.550 723 C N -0.894 118.240 119.300 -0.277 0.000 2.466 723 C HA 0.368 4.828 4.460 0.000 0.000 0.283 723 C C 1.820 176.659 174.990 -0.252 0.000 1.472 723 C CA 0.062 58.722 59.018 -0.596 0.000 1.765 723 C CB -1.011 26.702 27.740 -0.045 0.000 1.724 723 C HN 0.262 nan 8.230 nan 0.000 0.560 724 L N -0.624 120.600 121.223 0.003 0.000 3.217 724 L HA 0.382 4.722 4.340 0.000 0.000 0.288 724 L C 0.449 177.417 176.870 0.164 0.000 1.202 724 L CA -0.177 54.744 54.840 0.135 0.000 1.027 724 L CB 0.033 42.259 42.059 0.279 0.000 1.427 724 L HN 0.212 nan 8.230 nan 0.000 0.600 725 L N 0.959 122.259 121.223 0.129 0.000 2.452 725 L HA 0.129 4.469 4.340 0.000 0.000 0.267 725 L C -1.145 175.855 176.870 0.216 0.000 1.188 725 L CA -1.423 53.492 54.840 0.126 0.000 0.821 725 L CB 0.396 42.505 42.059 0.084 0.000 1.102 725 L HN -0.212 nan 8.230 nan 0.000 0.470 726 P HA -0.202 nan 4.420 nan 0.000 0.213 726 P C -0.321 177.279 177.300 0.500 0.000 1.170 726 P CA 1.227 64.579 63.100 0.419 0.000 0.902 726 P CB 0.077 31.985 31.700 0.347 0.000 0.789 727 W N 0.423 121.856 121.300 0.222 0.000 2.349 727 W HA 0.402 5.062 4.660 0.000 0.000 0.309 727 W C -1.527 175.211 176.519 0.364 0.000 1.083 727 W CA -0.758 56.715 57.345 0.213 0.000 1.224 727 W CB 0.677 30.215 29.460 0.130 0.000 1.256 727 W HN -0.189 nan 8.180 nan 0.000 0.461 728 F N 8.106 127.811 119.950 -0.408 0.000 2.564 728 F HA 0.429 4.956 4.527 0.000 0.000 0.361 728 F C -0.876 174.747 175.800 -0.295 0.000 1.161 728 F CA -1.075 56.818 58.000 -0.178 0.000 1.198 728 F CB 0.207 39.281 39.000 0.125 0.000 1.424 728 F HN 0.419 nan 8.300 nan 0.000 0.517 729 R N 3.471 123.613 120.500 -0.597 0.000 2.686 729 R HA 0.420 4.760 4.340 0.000 0.000 0.286 729 R C -1.328 174.825 176.300 -0.246 0.000 0.969 729 R CA -0.696 55.047 56.100 -0.596 0.000 0.898 729 R CB 1.324 31.200 30.300 -0.708 0.000 1.183 729 R HN 0.461 nan 8.270 nan 0.000 0.456 730 N N 3.188 121.777 118.700 -0.186 0.000 2.501 730 N HA 0.130 4.870 4.740 0.000 0.000 0.245 730 N C -1.732 173.870 175.510 0.154 0.000 0.974 730 N CA -0.135 52.952 53.050 0.062 0.000 0.941 730 N CB 0.641 39.276 38.487 0.246 0.000 1.122 730 N HN 0.676 nan 8.380 nan 0.000 0.507 731 H N 3.696 122.827 119.070 0.100 0.000 2.679 731 H HA 0.353 4.909 4.556 0.000 0.000 0.360 731 H C -1.411 174.186 175.328 0.448 0.000 1.105 731 H CA -0.578 55.584 56.048 0.191 0.000 1.196 731 H CB 1.534 31.274 29.762 -0.036 0.000 1.636 731 H HN 0.605 nan 8.280 nan 0.000 0.531 732 Y N 1.303 121.434 120.300 -0.281 0.000 2.638 732 Y HA 0.285 4.835 4.550 0.000 0.000 0.335 732 Y C -1.486 174.195 175.900 -0.364 0.000 1.155 732 Y CA -1.282 56.678 58.100 -0.234 0.000 1.046 732 Y CB 1.010 39.394 38.460 -0.128 0.000 1.303 732 Y HN 0.441 nan 8.280 nan 0.000 0.460 733 D N 2.004 121.942 120.400 -0.769 0.000 2.348 733 D HA 0.200 4.840 4.640 0.000 0.000 0.253 733 D C -0.819 175.302 176.300 -0.299 0.000 1.161 733 D CA -0.025 53.636 54.000 -0.565 0.000 0.876 733 D CB 0.749 41.149 40.800 -0.666 0.000 1.160 733 D HN 0.694 nan 8.370 nan 0.000 0.459 734 R N 4.125 124.415 120.500 -0.351 0.000 2.387 734 R HA 0.236 4.576 4.340 0.000 0.000 0.314 734 R C -0.927 175.306 176.300 -0.112 0.000 0.958 734 R CA -0.938 55.066 56.100 -0.160 0.000 0.846 734 R CB 0.628 30.785 30.300 -0.237 0.000 1.147 734 R HN 0.550 nan 8.270 nan 0.000 0.447 735 W N 7.862 129.091 121.300 -0.120 0.000 2.397 735 W HA 0.206 4.866 4.660 0.000 0.000 0.327 735 W C -0.393 176.049 176.519 -0.130 0.000 1.421 735 W CA 0.106 57.370 57.345 -0.135 0.000 1.288 735 W CB 0.297 29.712 29.460 -0.076 0.000 1.312 735 W HN 0.528 nan 8.180 nan 0.000 0.559 736 I N 2.240 122.477 120.570 -0.556 0.000 2.913 736 I HA 0.328 4.498 4.170 0.000 0.000 0.302 736 I C 0.873 176.439 176.117 -0.918 0.000 1.246 736 I CA -1.009 60.008 61.300 -0.471 0.000 1.010 736 I CB 2.142 39.970 38.000 -0.287 0.000 1.259 736 I HN 0.535 nan 8.210 nan 0.000 0.434 737 E N 2.463 122.328 120.200 -0.559 0.000 2.065 737 E HA -0.269 4.081 4.350 0.000 0.000 0.201 737 E C 1.628 177.983 176.600 -0.407 0.000 1.016 737 E CA 2.817 58.947 56.400 -0.449 0.000 0.818 737 E CB 0.044 29.665 29.700 -0.131 0.000 0.749 737 E HN 0.831 nan 8.360 nan 0.000 0.453 738 S N -0.611 114.896 115.700 -0.321 0.000 2.660 738 S HA -0.020 4.450 4.470 0.000 0.000 0.223 738 S C 0.545 174.958 174.600 -0.312 0.000 0.963 738 S CA 0.233 58.281 58.200 -0.254 0.000 0.932 738 S CB 0.046 63.135 63.200 -0.186 0.000 0.775 738 S HN 0.230 nan 8.310 nan 0.000 0.531 739 K N 1.609 121.725 120.400 -0.475 0.000 2.745 739 K HA 0.042 4.363 4.320 0.000 0.000 0.293 739 K C -1.646 174.475 176.600 -0.798 0.000 1.271 739 K CA -0.113 55.847 56.287 -0.545 0.000 1.060 739 K CB 0.354 32.472 32.500 -0.637 0.000 1.394 739 K HN 0.187 nan 8.250 nan 0.000 0.537 740 D N 3.126 123.127 120.400 -0.665 0.000 2.870 740 D HA 0.023 4.663 4.640 0.000 0.000 0.241 740 D C -0.350 175.691 176.300 -0.432 0.000 1.234 740 D CA 0.152 53.590 54.000 -0.935 0.000 0.844 740 D CB -0.430 40.130 40.800 -0.400 0.000 1.051 740 D HN 0.594 nan 8.370 nan 0.000 0.469 741 H N -2.814 116.054 119.070 -0.336 0.000 2.894 741 H HA 0.722 5.278 4.556 0.000 0.000 0.367 741 H C 0.375 175.714 175.328 0.019 0.000 1.144 741 H CA -0.491 55.555 56.048 -0.003 0.000 1.180 741 H CB 1.810 31.586 29.762 0.022 0.000 1.758 741 H HN 0.198 nan 8.280 nan 0.000 0.541 742 G N 1.361 110.318 108.800 0.261 0.000 2.352 742 G HA2 0.007 3.967 3.960 0.000 0.000 0.324 742 G HA3 0.007 3.967 3.960 0.000 0.000 0.324 742 G C -1.461 173.544 174.900 0.175 0.000 1.249 742 G CA -0.886 44.298 45.100 0.141 0.000 1.053 742 G HN 0.738 nan 8.290 nan 0.000 0.492 743 K N -0.221 120.274 120.400 0.157 0.000 2.118 743 K HA 0.487 4.808 4.320 0.000 0.000 0.254 743 K C 0.431 177.115 176.600 0.141 0.000 0.961 743 K CA -0.729 55.620 56.287 0.104 0.000 0.876 743 K CB 1.509 34.035 32.500 0.043 0.000 1.077 743 K HN 0.365 nan 8.250 nan 0.000 0.440 744 D N 0.488 120.863 120.400 -0.041 0.000 2.133 744 D HA -0.125 4.515 4.640 0.000 0.000 0.195 744 D C 0.070 176.456 176.300 0.143 0.000 0.997 744 D CA 1.865 55.864 54.000 -0.001 0.000 0.840 744 D CB -0.009 40.714 40.800 -0.130 0.000 0.947 744 D HN 0.489 nan 8.370 nan 0.000 0.452 745 Y N -4.220 116.076 120.300 -0.007 0.000 2.814 745 Y HA 0.455 5.005 4.550 0.000 0.000 0.348 745 Y C -0.007 175.549 175.900 -0.574 0.000 1.245 745 Y CA -0.886 57.116 58.100 -0.164 0.000 1.086 745 Y CB 0.810 39.151 38.460 -0.199 0.000 1.373 745 Y HN -0.228 nan 8.280 nan 0.000 0.451 746 Q N -0.623 118.887 119.800 -0.485 0.000 1.559 746 Q HA 0.193 4.533 4.340 0.000 0.000 0.164 746 Q C -1.099 174.829 176.000 -0.120 0.000 0.668 746 Q CA -0.043 55.479 55.803 -0.468 0.000 0.705 746 Q CB 0.427 28.476 28.738 -1.149 0.000 1.180 746 Q HN 0.771 nan 8.270 nan 0.000 0.369 747 E N 1.414 121.482 120.200 -0.221 0.000 2.568 747 E HA -0.120 4.230 4.350 0.000 0.000 0.262 747 E C 0.816 177.244 176.600 -0.287 0.000 0.961 747 E CA 0.458 56.675 56.400 -0.304 0.000 0.945 747 E CB 0.437 29.551 29.700 -0.977 0.000 0.924 747 E HN 0.331 nan 8.360 nan 0.000 0.467 748 L N 2.300 123.460 121.223 -0.105 0.000 2.131 748 L HA -0.207 4.133 4.340 0.000 0.000 0.210 748 L C 2.032 178.829 176.870 -0.121 0.000 1.092 748 L CA 1.240 56.063 54.840 -0.027 0.000 0.759 748 L CB -0.663 41.322 42.059 -0.123 0.000 0.903 748 L HN 0.771 nan 8.230 nan 0.000 0.435 749 Y N -2.306 117.674 120.300 -0.533 0.000 2.639 749 Y HA -0.019 4.531 4.550 0.000 0.000 0.297 749 Y C 2.050 177.810 175.900 -0.233 0.000 1.151 749 Y CA 0.234 58.121 58.100 -0.355 0.000 1.335 749 Y CB -0.424 37.681 38.460 -0.592 0.000 0.994 749 Y HN 0.065 nan 8.280 nan 0.000 0.548 750 M N 0.056 119.286 119.600 -0.615 0.000 2.568 750 M HA 0.102 4.582 4.480 0.000 0.000 0.226 750 M C -1.074 174.836 176.300 -0.650 0.000 1.148 750 M CA 0.205 55.074 55.300 -0.719 0.000 1.007 750 M CB -1.021 30.925 32.600 -1.090 0.000 1.651 750 M HN 0.359 nan 8.290 nan 0.000 0.488 751 Y N 0.600 120.842 120.300 -0.098 0.000 2.919 751 Y HA 0.279 4.829 4.550 0.000 0.000 0.341 751 Y C -1.563 174.359 175.900 0.037 0.000 1.045 751 Y CA -2.014 56.084 58.100 -0.004 0.000 1.218 751 Y CB 0.173 38.649 38.460 0.027 0.000 1.137 751 Y HN 0.079 nan 8.280 nan 0.000 0.577 752 P HA -0.203 nan 4.420 nan 0.000 0.214 752 P C 0.516 177.876 177.300 0.100 0.000 1.163 752 P CA 1.747 64.896 63.100 0.081 0.000 0.889 752 P CB 0.467 32.184 31.700 0.029 0.000 0.790 753 N N -0.769 117.992 118.700 0.103 0.000 2.453 753 N HA -0.116 4.624 4.740 0.000 0.000 0.183 753 N C 1.177 176.748 175.510 0.101 0.000 1.041 753 N CA 0.740 53.843 53.050 0.089 0.000 0.900 753 N CB -0.211 38.325 38.487 0.082 0.000 0.961 753 N HN 0.224 nan 8.380 nan 0.000 0.443 754 E N -0.718 119.569 120.200 0.144 0.000 2.526 754 E HA 0.190 4.541 4.350 0.000 0.000 0.208 754 E C 1.199 177.899 176.600 0.167 0.000 0.997 754 E CA -0.188 56.291 56.400 0.131 0.000 0.961 754 E CB 0.213 29.975 29.700 0.105 0.000 1.030 754 E HN 0.282 nan 8.360 nan 0.000 0.483 755 M N 0.396 120.111 119.600 0.192 0.000 2.117 755 M HA -0.173 4.307 4.480 0.000 0.000 0.262 755 M C 0.551 176.929 176.300 0.130 0.000 1.065 755 M CA 1.832 57.281 55.300 0.248 0.000 1.114 755 M CB 0.190 32.924 32.600 0.223 0.000 1.361 755 M HN -0.059 nan 8.290 nan 0.000 0.408 756 D N -0.404 120.037 120.400 0.068 0.000 2.219 756 D HA -0.109 4.531 4.640 0.000 0.000 0.205 756 D C 1.751 178.077 176.300 0.042 0.000 0.970 756 D CA 1.637 55.645 54.000 0.014 0.000 0.851 756 D CB -0.100 40.705 40.800 0.009 0.000 0.943 756 D HN 0.402 nan 8.370 nan 0.000 0.488 757 T N 0.077 114.692 114.554 0.101 0.000 2.894 757 T HA 0.050 4.400 4.350 0.000 0.000 0.258 757 T C 2.080 176.938 174.700 0.263 0.000 1.043 757 T CA 0.312 62.522 62.100 0.183 0.000 1.141 757 T CB -0.127 68.835 68.868 0.157 0.000 0.873 757 T HN 0.080 nan 8.240 nan 0.000 0.449 758 L N 0.697 122.053 121.223 0.222 0.000 2.012 758 L HA -0.100 4.240 4.340 0.000 0.000 0.210 758 L C 2.886 179.965 176.870 0.349 0.000 1.073 758 L CA 1.466 56.485 54.840 0.298 0.000 0.748 758 L CB -0.494 41.775 42.059 0.351 0.000 0.891 758 L HN 0.163 nan 8.230 nan 0.000 0.431 759 R N 1.203 121.790 120.500 0.144 0.000 2.082 759 R HA -0.226 4.114 4.340 0.000 0.000 0.234 759 R C 2.448 178.738 176.300 -0.016 0.000 1.136 759 R CA 2.176 58.154 56.100 -0.203 0.000 0.935 759 R CB -0.231 29.634 30.300 -0.726 0.000 0.842 759 R HN 0.378 nan 8.270 nan 0.000 0.430 760 K N -0.703 119.691 120.400 -0.011 0.000 2.152 760 K HA -0.175 4.146 4.320 0.000 0.000 0.206 760 K C 1.849 178.425 176.600 -0.040 0.000 1.048 760 K CA 1.755 58.015 56.287 -0.045 0.000 0.933 760 K CB -0.453 31.985 32.500 -0.104 0.000 0.721 760 K HN 0.177 nan 8.250 nan 0.000 0.447 761 F N 1.564 121.548 119.950 0.057 0.000 2.293 761 F HA -0.099 4.428 4.527 0.000 0.000 0.300 761 F C 2.200 178.121 175.800 0.202 0.000 1.086 761 F CA 0.801 58.872 58.000 0.118 0.000 1.375 761 F CB 0.058 39.111 39.000 0.089 0.000 1.045 761 F HN -0.185 nan 8.300 nan 0.000 0.516 762 V N -0.554 119.558 119.914 0.331 0.000 2.488 762 V HA -0.208 3.912 4.120 0.000 0.000 0.246 762 V C 1.984 178.230 176.094 0.252 0.000 1.046 762 V CA 1.606 64.099 62.300 0.323 0.000 1.053 762 V CB -0.556 31.400 31.823 0.221 0.000 0.679 762 V HN 0.278 nan 8.190 nan 0.000 0.458 763 E N -0.150 120.132 120.200 0.136 0.000 2.077 763 E HA -0.248 4.103 4.350 0.000 0.000 0.193 763 E C 2.030 178.725 176.600 0.158 0.000 0.989 763 E CA 1.659 58.123 56.400 0.108 0.000 0.800 763 E CB -0.256 29.471 29.700 0.044 0.000 0.746 763 E HN 0.619 nan 8.360 nan 0.000 0.452 764 F N 2.025 121.935 119.950 -0.068 0.000 2.134 764 F HA -0.164 4.363 4.527 0.000 0.000 0.299 764 F C 2.377 178.105 175.800 -0.121 0.000 1.097 764 F CA 1.586 59.459 58.000 -0.210 0.000 1.264 764 F CB -0.111 38.659 39.000 -0.383 0.000 1.001 764 F HN -0.213 nan 8.300 nan 0.000 0.479 765 R N -0.870 119.615 120.500 -0.025 0.000 2.080 765 R HA -0.254 4.087 4.340 0.000 0.000 0.236 765 R C 2.299 178.629 176.300 0.051 0.000 1.137 765 R CA 2.269 58.357 56.100 -0.019 0.000 0.943 765 R CB -1.114 29.281 30.300 0.158 0.000 0.846 765 R HN 0.347 nan 8.270 nan 0.000 0.431 766 Y N 0.777 121.077 120.300 -0.001 0.000 2.207 766 Y HA -0.178 4.373 4.550 0.000 0.000 0.287 766 Y C 2.561 178.422 175.900 -0.065 0.000 1.156 766 Y CA 1.728 59.825 58.100 -0.005 0.000 1.182 766 Y CB -0.229 38.272 38.460 0.069 0.000 0.979 766 Y HN 0.103 nan 8.280 nan 0.000 0.521 767 R N -1.829 118.688 120.500 0.028 0.000 2.127 767 R HA -0.210 4.130 4.340 0.000 0.000 0.238 767 R C 0.840 177.152 176.300 0.020 0.000 1.134 767 R CA 1.324 57.359 56.100 -0.107 0.000 0.975 767 R CB -0.391 29.794 30.300 -0.193 0.000 0.865 767 R HN 0.331 nan 8.270 nan 0.000 0.447 768 W N 2.097 123.270 121.300 -0.211 0.000 3.194 768 W HA 0.101 4.761 4.660 0.000 0.000 0.408 768 W C 1.534 177.912 176.519 -0.235 0.000 1.072 768 W CA -0.652 56.558 57.345 -0.225 0.000 1.953 768 W CB -0.342 28.934 29.460 -0.307 0.000 1.091 768 W HN 0.249 nan 8.180 nan 0.000 0.699 769 Q N -0.165 119.596 119.800 -0.065 0.000 2.197 769 Q HA -0.218 4.122 4.340 0.000 0.000 0.207 769 Q C 1.069 176.957 176.000 -0.187 0.000 0.984 769 Q CA 1.569 57.244 55.803 -0.213 0.000 0.869 769 Q CB -0.295 28.224 28.738 -0.366 0.000 0.906 769 Q HN 0.079 nan 8.270 nan 0.000 0.426 770 E N 0.759 120.895 120.200 -0.107 0.000 2.208 770 E HA -0.049 4.301 4.350 0.000 0.000 0.193 770 E C 2.248 178.800 176.600 -0.080 0.000 0.988 770 E CA 0.825 57.201 56.400 -0.040 0.000 0.828 770 E CB -0.012 29.674 29.700 -0.023 0.000 0.763 770 E HN 0.295 nan 8.360 nan 0.000 0.478 771 V N 1.620 121.438 119.914 -0.161 0.000 2.295 771 V HA -0.251 3.869 4.120 0.000 0.000 0.246 771 V C 2.505 178.445 176.094 -0.256 0.000 1.049 771 V CA 1.430 63.575 62.300 -0.259 0.000 1.024 771 V CB -0.622 30.905 31.823 -0.494 0.000 0.648 771 V HN 0.188 nan 8.190 nan 0.000 0.447 772 L N -1.514 119.522 121.223 -0.311 0.000 1.994 772 L HA -0.209 4.131 4.340 0.000 0.000 0.208 772 L C 2.557 179.054 176.870 -0.622 0.000 1.071 772 L CA 1.994 56.516 54.840 -0.531 0.000 0.745 772 L CB -0.850 40.750 42.059 -0.765 0.000 0.892 772 L HN 0.294 nan 8.230 nan 0.000 0.431 773 Y N 1.074 120.974 120.300 -0.667 0.000 2.165 773 Y HA -0.279 4.271 4.550 0.000 0.000 0.286 773 Y C 2.771 178.527 175.900 -0.241 0.000 1.155 773 Y CA 1.861 59.698 58.100 -0.437 0.000 1.164 773 Y CB -0.693 37.644 38.460 -0.204 0.000 0.978 773 Y HN 0.121 nan 8.280 nan 0.000 0.513 774 T N 0.030 114.531 114.554 -0.089 0.000 2.770 774 T HA -0.120 4.230 4.350 0.000 0.000 0.263 774 T C 2.171 176.821 174.700 -0.082 0.000 1.039 774 T CA 1.296 63.376 62.100 -0.033 0.000 1.142 774 T CB -0.728 68.165 68.868 0.042 0.000 0.868 774 T HN 0.417 nan 8.240 nan 0.000 0.435 775 A N 1.588 124.318 122.820 -0.150 0.000 1.892 775 A HA -0.179 4.141 4.320 0.000 0.000 0.218 775 A C 2.252 179.721 177.584 -0.193 0.000 1.188 775 A CA 2.146 54.086 52.037 -0.161 0.000 0.631 775 A CB -0.749 18.141 19.000 -0.183 0.000 0.822 775 A HN 0.408 nan 8.150 nan 0.000 0.447 776 M N -1.648 117.809 119.600 -0.238 0.000 2.117 776 M HA -0.122 4.358 4.480 0.000 0.000 0.262 776 M C 1.949 178.040 176.300 -0.349 0.000 1.065 776 M CA 1.956 57.125 55.300 -0.218 0.000 1.114 776 M CB -0.931 31.620 32.600 -0.082 0.000 1.361 776 M HN 0.560 nan 8.290 nan 0.000 0.408 777 Y N 0.988 120.926 120.300 -0.603 0.000 2.053 777 Y HA -0.339 4.211 4.550 0.000 0.000 0.277 777 Y C 2.097 177.697 175.900 -0.500 0.000 1.159 777 Y CA 2.575 60.222 58.100 -0.755 0.000 1.125 777 Y CB -1.024 36.884 38.460 -0.920 0.000 0.969 777 Y HN 0.423 nan 8.280 nan 0.000 0.492 778 Q N -0.053 119.417 119.800 -0.550 0.000 2.376 778 Q HA -0.239 4.101 4.340 0.000 0.000 0.211 778 Q C 2.001 177.763 176.000 -0.395 0.000 0.986 778 Q CA 1.387 56.919 55.803 -0.452 0.000 0.886 778 Q CB -0.326 28.363 28.738 -0.080 0.000 0.927 778 Q HN 0.613 nan 8.270 nan 0.000 0.457 779 N N -0.370 118.095 118.700 -0.391 0.000 2.368 779 N HA -0.013 4.727 4.740 0.000 0.000 0.178 779 N C 1.558 176.846 175.510 -0.370 0.000 1.021 779 N CA 0.867 53.738 53.050 -0.298 0.000 0.875 779 N CB 0.162 38.516 38.487 -0.222 0.000 1.020 779 N HN 0.163 nan 8.380 nan 0.000 0.433 780 A N 0.943 123.486 122.820 -0.462 0.000 1.930 780 A HA 0.113 4.433 4.320 0.000 0.000 0.217 780 A C 2.299 179.561 177.584 -0.536 0.000 1.175 780 A CA 1.702 53.472 52.037 -0.444 0.000 0.627 780 A CB -0.649 18.089 19.000 -0.437 0.000 0.815 780 A HN 0.437 nan 8.150 nan 0.000 0.443 781 A N -1.477 120.814 122.820 -0.882 0.000 1.874 781 A HA 0.273 4.593 4.320 0.000 0.000 0.214 781 A C 1.529 178.598 177.584 -0.859 0.000 1.189 781 A CA 1.476 52.832 52.037 -1.135 0.000 0.615 781 A CB -0.329 17.395 19.000 -2.127 0.000 0.830 781 A HN 0.502 nan 8.150 nan 0.000 0.443 782 F N -2.320 117.457 119.950 -0.289 0.000 2.767 782 F HA 0.433 4.960 4.527 0.000 0.000 0.323 782 F C 1.703 177.423 175.800 -0.134 0.000 1.091 782 F CA -0.077 57.824 58.000 -0.166 0.000 1.192 782 F CB 0.184 39.102 39.000 -0.137 0.000 1.056 782 F HN 0.379 nan 8.300 nan 0.000 0.571 783 G N 0.718 109.482 108.800 -0.061 0.000 2.175 783 G HA2 -0.286 3.674 3.960 0.000 0.000 0.244 783 G HA3 -0.286 3.674 3.960 0.000 0.000 0.244 783 G C 0.327 175.189 174.900 -0.063 0.000 0.982 783 G CA -0.360 44.688 45.100 -0.086 0.000 0.641 783 G HN 0.304 nan 8.290 nan 0.000 0.527 784 K N 2.353 122.734 120.400 -0.032 0.000 2.419 784 K HA 0.302 4.622 4.320 0.000 0.000 0.282 784 K C -2.076 174.481 176.600 -0.070 0.000 1.056 784 K CA -0.927 55.343 56.287 -0.028 0.000 1.035 784 K CB 0.653 33.146 32.500 -0.011 0.000 0.921 784 K HN 0.197 nan 8.250 nan 0.000 0.472 785 P HA -0.087 nan 4.420 nan 0.000 0.264 785 P C 0.576 177.825 177.300 -0.084 0.000 1.183 785 P CA 0.395 63.459 63.100 -0.061 0.000 0.763 785 P CB 0.548 32.232 31.700 -0.026 0.000 0.807 786 I N 2.511 123.038 120.570 -0.071 0.000 2.179 786 I HA -0.148 4.022 4.170 0.000 0.000 0.242 786 I C 1.193 177.278 176.117 -0.053 0.000 1.088 786 I CA 1.377 62.636 61.300 -0.069 0.000 1.357 786 I CB -0.206 37.776 38.000 -0.029 0.000 1.051 786 I HN 0.243 nan 8.210 nan 0.000 0.409 787 I N 2.630 123.188 120.570 -0.021 0.000 2.304 787 I HA 0.186 4.356 4.170 0.000 0.000 0.291 787 I C -0.069 176.059 176.117 0.017 0.000 1.018 787 I CA -0.458 60.854 61.300 0.020 0.000 1.260 787 I CB 0.812 38.791 38.000 -0.034 0.000 1.390 787 I HN 0.041 nan 8.210 nan 0.000 0.475 788 K N 4.938 125.361 120.400 0.037 0.000 2.172 788 K HA 0.604 4.924 4.320 0.000 0.000 0.276 788 K C -0.059 176.636 176.600 0.158 0.000 1.013 788 K CA -0.559 55.754 56.287 0.044 0.000 0.913 788 K CB 1.827 34.280 32.500 -0.078 0.000 1.055 788 K HN 0.644 nan 8.250 nan 0.000 0.461 789 A N 1.666 124.566 122.820 0.133 0.000 2.425 789 A HA 0.361 4.681 4.320 0.000 0.000 0.249 789 A C 1.388 179.082 177.584 0.184 0.000 1.084 789 A CA 0.430 52.553 52.037 0.144 0.000 0.781 789 A CB 0.231 19.264 19.000 0.056 0.000 1.019 789 A HN 0.818 nan 8.150 nan 0.000 0.490 790 A N 1.757 124.695 122.820 0.197 0.000 1.986 790 A HA -0.119 4.201 4.320 0.000 0.000 0.220 790 A C 2.110 179.789 177.584 0.157 0.000 1.171 790 A CA 2.308 54.459 52.037 0.190 0.000 0.640 790 A CB -0.921 18.171 19.000 0.152 0.000 0.811 790 A HN 1.738 nan 8.150 nan 0.000 0.451 791 S N -1.459 114.283 115.700 0.070 0.000 2.720 791 S HA 0.221 4.691 4.470 0.000 0.000 0.222 791 S C 1.169 175.738 174.600 -0.052 0.000 0.958 791 S CA 0.675 58.857 58.200 -0.030 0.000 0.943 791 S CB -0.372 62.713 63.200 -0.192 0.000 0.779 791 S HN 0.523 nan 8.310 nan 0.000 0.526 792 M N 0.141 119.787 119.600 0.077 0.000 2.371 792 M HA 0.317 4.797 4.480 0.000 0.000 0.246 792 M C -0.260 176.113 176.300 0.120 0.000 1.103 792 M CA -0.055 55.314 55.300 0.115 0.000 1.010 792 M CB 0.263 32.998 32.600 0.225 0.000 1.457 792 M HN 0.405 nan 8.290 nan 0.000 0.486 793 Y N 2.391 122.707 120.300 0.026 0.000 2.425 793 Y HA 0.258 4.808 4.550 0.000 0.000 0.347 793 Y C -0.117 175.740 175.900 -0.071 0.000 0.976 793 Y CA -0.850 57.209 58.100 -0.068 0.000 1.190 793 Y CB 0.375 38.865 38.460 0.050 0.000 1.136 793 Y HN 0.108 nan 8.280 nan 0.000 0.517 794 N N 4.449 123.013 118.700 -0.227 0.000 2.463 794 N HA 0.127 4.867 4.740 0.000 0.000 0.270 794 N C -0.419 175.064 175.510 -0.044 0.000 1.205 794 N CA -0.171 52.807 53.050 -0.119 0.000 0.974 794 N CB 0.699 39.078 38.487 -0.181 0.000 1.197 794 N HN 0.825 nan 8.380 nan 0.000 0.504 795 N N -0.800 117.897 118.700 -0.006 0.000 2.747 795 N HA -0.187 4.553 4.740 0.000 0.000 0.249 795 N C -1.453 174.115 175.510 0.097 0.000 1.107 795 N CA 0.577 53.642 53.050 0.025 0.000 0.707 795 N CB -0.625 37.857 38.487 -0.007 0.000 1.054 795 N HN 0.551 nan 8.380 nan 0.000 0.555 796 D N -0.102 120.376 120.400 0.130 0.000 2.757 796 D HA 0.286 4.926 4.640 0.000 0.000 0.249 796 D C 0.053 176.391 176.300 0.062 0.000 1.168 796 D CA -0.435 53.655 54.000 0.150 0.000 0.870 796 D CB 1.146 42.105 40.800 0.266 0.000 1.411 796 D HN 0.132 nan 8.370 nan 0.000 0.525 797 S N 1.989 117.700 115.700 0.018 0.000 2.575 797 S HA 0.180 4.650 4.470 0.000 0.000 0.237 797 S C 0.689 175.220 174.600 -0.115 0.000 0.975 797 S CA -0.403 57.777 58.200 -0.034 0.000 0.960 797 S CB -0.178 63.009 63.200 -0.021 0.000 0.822 797 S HN 0.454 nan 8.310 nan 0.000 0.472 798 N N 0.648 119.224 118.700 -0.206 0.000 2.210 798 N HA 0.113 4.854 4.740 0.000 0.000 0.203 798 N C 1.448 176.610 175.510 -0.580 0.000 1.175 798 N CA 0.477 53.218 53.050 -0.516 0.000 0.894 798 N CB 0.888 38.788 38.487 -0.979 0.000 1.041 798 N HN 0.341 nan 8.380 nan 0.000 0.506 799 V N -0.766 118.991 119.914 -0.261 0.000 2.809 799 V HA -0.033 4.087 4.120 0.000 0.000 0.256 799 V C 2.135 178.176 176.094 -0.088 0.000 1.080 799 V CA 1.201 63.427 62.300 -0.123 0.000 1.102 799 V CB -0.483 31.365 31.823 0.041 0.000 0.705 799 V HN 0.212 nan 8.190 nan 0.000 0.475 800 R N 0.783 121.237 120.500 -0.078 0.000 2.075 800 R HA -0.136 4.205 4.340 0.000 0.000 0.232 800 R C 2.643 178.916 176.300 -0.045 0.000 1.126 800 R CA 1.764 57.856 56.100 -0.014 0.000 0.963 800 R CB -0.304 29.997 30.300 0.001 0.000 0.858 800 R HN 0.574 nan 8.270 nan 0.000 0.435 801 R N -0.052 120.374 120.500 -0.123 0.000 2.096 801 R HA -0.081 4.260 4.340 0.000 0.000 0.235 801 R C 1.527 177.755 176.300 -0.119 0.000 1.127 801 R CA 1.657 57.680 56.100 -0.127 0.000 0.968 801 R CB -0.173 30.022 30.300 -0.174 0.000 0.861 801 R HN 0.252 nan 8.270 nan 0.000 0.440 802 A N 1.157 123.865 122.820 -0.186 0.000 2.307 802 A HA -0.019 4.301 4.320 0.000 0.000 0.218 802 A C 1.596 179.177 177.584 -0.004 0.000 1.228 802 A CA 0.083 51.994 52.037 -0.210 0.000 0.857 802 A CB -0.156 18.531 19.000 -0.521 0.000 0.897 802 A HN 0.628 nan 8.150 nan 0.000 0.495 803 Q N -0.242 119.589 119.800 0.051 0.000 2.482 803 Q HA -0.063 4.277 4.340 0.000 0.000 0.209 803 Q C 0.544 176.651 176.000 0.179 0.000 0.961 803 Q CA 0.779 56.667 55.803 0.142 0.000 0.945 803 Q CB -0.255 28.578 28.738 0.159 0.000 1.012 803 Q HN 0.498 nan 8.270 nan 0.000 0.515 804 N N 2.253 121.052 118.700 0.164 0.000 2.173 804 N HA -0.100 4.640 4.740 0.000 0.000 0.184 804 N C 0.599 176.232 175.510 0.204 0.000 1.025 804 N CA 1.845 54.996 53.050 0.169 0.000 0.852 804 N CB 0.055 38.632 38.487 0.151 0.000 0.998 804 N HN 0.635 nan 8.380 nan 0.000 0.427 805 D N -1.887 118.674 120.400 0.268 0.000 2.469 805 D HA 0.061 4.701 4.640 0.000 0.000 0.213 805 D C -0.272 176.184 176.300 0.261 0.000 1.135 805 D CA -0.072 54.082 54.000 0.257 0.000 0.834 805 D CB -0.388 40.523 40.800 0.185 0.000 1.009 805 D HN 0.123 nan 8.370 nan 0.000 0.507 806 H N 0.127 119.293 119.070 0.160 0.000 2.489 806 H HA 0.581 5.138 4.556 0.000 0.000 0.322 806 H C -0.413 175.057 175.328 0.236 0.000 1.091 806 H CA -0.829 55.283 56.048 0.107 0.000 1.291 806 H CB 0.635 30.412 29.762 0.025 0.000 1.436 806 H HN 0.145 nan 8.280 nan 0.000 0.480 807 F N 0.364 120.373 119.950 0.099 0.000 2.726 807 F HA 0.781 5.308 4.527 0.000 0.000 0.324 807 F C -2.097 173.749 175.800 0.075 0.000 1.140 807 F CA -1.320 56.735 58.000 0.090 0.000 0.964 807 F CB 1.153 40.195 39.000 0.071 0.000 1.399 807 F HN 0.229 nan 8.300 nan 0.000 0.491 808 L N 1.934 123.303 121.223 0.244 0.000 2.424 808 L HA 0.847 5.187 4.340 0.000 0.000 0.258 808 L C -1.090 175.828 176.870 0.080 0.000 0.995 808 L CA -0.652 54.254 54.840 0.110 0.000 0.821 808 L CB 2.328 44.510 42.059 0.204 0.000 1.383 808 L HN 0.934 nan 8.230 nan 0.000 0.410 809 L N -0.689 120.527 121.223 -0.011 0.000 2.775 809 L HA 1.043 5.383 4.340 0.000 0.000 0.263 809 L C -0.296 176.477 176.870 -0.161 0.000 1.017 809 L CA -0.436 54.352 54.840 -0.087 0.000 0.891 809 L CB 1.938 44.000 42.059 0.005 0.000 1.482 809 L HN 0.898 nan 8.230 nan 0.000 0.410 810 G N -0.765 107.913 108.800 -0.204 0.000 2.733 810 G HA2 0.491 4.451 3.960 0.000 0.000 0.686 810 G HA3 0.491 4.451 3.960 0.000 0.000 0.686 810 G C 0.215 174.981 174.900 -0.222 0.000 1.373 810 G CA -0.074 44.876 45.100 -0.250 0.000 0.838 810 G HN 2.991 nan 8.290 nan 0.000 0.588 811 G N 0.129 108.816 108.800 -0.188 0.000 2.582 811 G HA2 0.281 4.241 3.960 0.000 0.000 0.222 811 G HA3 0.281 4.241 3.960 0.000 0.000 0.222 811 G C 0.609 175.480 174.900 -0.049 0.000 1.311 811 G CA 1.074 46.108 45.100 -0.109 0.000 0.915 811 G HN 2.678 nan 8.290 nan 0.000 0.528 812 H N -1.049 118.019 119.070 -0.004 0.000 2.423 812 H HA 0.134 4.690 4.556 0.000 0.000 0.297 812 H C 1.787 177.135 175.328 0.033 0.000 1.075 812 H CA 2.034 58.094 56.048 0.021 0.000 1.342 812 H CB 0.054 29.820 29.762 0.007 0.000 1.395 812 H HN 0.579 nan 8.280 nan 0.000 0.530 813 D N -1.106 119.005 120.400 -0.482 0.000 2.407 813 D HA 0.128 4.768 4.640 0.000 0.000 0.208 813 D C 1.645 177.903 176.300 -0.069 0.000 1.083 813 D CA 0.406 54.292 54.000 -0.190 0.000 0.844 813 D CB -0.045 40.633 40.800 -0.204 0.000 0.967 813 D HN 0.610 nan 8.370 nan 0.000 0.506 814 G N 0.106 108.793 108.800 -0.188 0.000 2.143 814 G HA2 -0.304 3.656 3.960 0.000 0.000 0.249 814 G HA3 -0.304 3.656 3.960 0.000 0.000 0.249 814 G C -0.134 174.489 174.900 -0.462 0.000 0.981 814 G CA 0.320 45.238 45.100 -0.303 0.000 0.665 814 G HN 0.396 nan 8.290 nan 0.000 0.528 815 Y N -0.837 119.412 120.300 -0.085 0.000 2.666 815 Y HA 0.432 4.982 4.550 0.000 0.000 0.264 815 Y C 1.773 177.694 175.900 0.034 0.000 1.054 815 Y CA -0.723 57.397 58.100 0.032 0.000 1.121 815 Y CB 0.594 39.088 38.460 0.056 0.000 1.190 815 Y HN 0.088 nan 8.280 nan 0.000 0.587 816 R N 0.349 120.868 120.500 0.031 0.000 2.290 816 R HA 0.357 4.697 4.340 0.000 0.000 0.197 816 R C -0.210 176.102 176.300 0.020 0.000 0.913 816 R CA 0.451 56.532 56.100 -0.031 0.000 1.040 816 R CB 0.497 30.709 30.300 -0.148 0.000 0.992 816 R HN 0.326 nan 8.270 nan 0.000 0.500 817 I N 0.863 121.468 120.570 0.058 0.000 2.545 817 I HA 0.298 4.468 4.170 0.000 0.000 0.292 817 I C -0.990 175.192 176.117 0.107 0.000 1.040 817 I CA -1.191 60.155 61.300 0.078 0.000 1.068 817 I CB 2.417 40.364 38.000 -0.088 0.000 1.251 817 I HN -0.251 nan 8.210 nan 0.000 0.424 818 L N 6.378 127.647 121.223 0.076 0.000 2.313 818 L HA 0.660 5.000 4.340 0.000 0.000 0.283 818 L C -1.079 175.650 176.870 -0.235 0.000 1.013 818 L CA 0.114 54.864 54.840 -0.150 0.000 0.816 818 L CB 1.260 43.039 42.059 -0.466 0.000 1.236 818 L HN 0.710 nan 8.230 nan 0.000 0.419 819 C N 4.117 123.089 119.300 -0.547 0.000 2.417 819 C HA 0.855 5.315 4.460 0.000 0.000 0.324 819 C C 0.547 175.156 174.990 -0.636 0.000 1.240 819 C CA -0.601 58.002 59.018 -0.691 0.000 1.632 819 C CB 0.858 27.884 27.740 -1.189 0.000 2.241 819 C HN 0.915 nan 8.230 nan 0.000 0.499 820 A N 4.206 126.767 122.820 -0.432 0.000 3.297 820 A HA 0.515 4.835 4.320 0.000 0.000 0.304 820 A C -2.593 174.876 177.584 -0.192 0.000 0.963 820 A CA -0.879 50.863 52.037 -0.493 0.000 0.935 820 A CB -0.134 18.432 19.000 -0.723 0.000 1.093 820 A HN 0.697 nan 8.150 nan 0.000 0.480 821 P HA 0.087 nan 4.420 nan 0.000 0.266 821 P C 0.273 177.577 177.300 0.007 0.000 1.195 821 P CA 0.445 63.544 63.100 -0.002 0.000 0.768 821 P CB 0.888 32.633 31.700 0.076 0.000 0.838 822 V N 3.703 123.625 119.914 0.012 0.000 2.585 822 V HA -0.014 4.106 4.120 0.000 0.000 0.296 822 V C 1.510 177.597 176.094 -0.013 0.000 1.035 822 V CA 0.465 62.791 62.300 0.044 0.000 1.084 822 V CB 0.907 32.768 31.823 0.062 0.000 0.953 822 V HN 0.513 nan 8.190 nan 0.000 0.483 823 V N 0.934 120.827 119.914 -0.035 0.000 3.070 823 V HA 0.482 4.602 4.120 0.000 0.000 0.345 823 V C -0.515 175.248 176.094 -0.551 0.000 1.403 823 V CA -0.503 61.640 62.300 -0.262 0.000 1.155 823 V CB -0.579 31.069 31.823 -0.292 0.000 1.140 823 V HN 0.725 nan 8.190 nan 0.000 0.505 824 W N -0.190 121.114 121.300 0.006 0.000 2.915 824 W HA 0.608 5.268 4.660 0.000 0.000 0.337 824 W C 0.116 176.634 176.519 -0.002 0.000 1.102 824 W CA -0.592 56.760 57.345 0.011 0.000 1.224 824 W CB 1.577 31.058 29.460 0.034 0.000 1.416 824 W HN 0.014 nan 8.180 nan 0.000 0.503 825 E N 1.398 121.751 120.200 0.254 0.000 2.398 825 E HA 0.018 4.368 4.350 0.000 0.000 0.263 825 E C 0.081 176.770 176.600 0.148 0.000 1.046 825 E CA 0.485 56.972 56.400 0.144 0.000 0.908 825 E CB 0.152 29.920 29.700 0.114 0.000 0.963 825 E HN 0.630 nan 8.360 nan 0.000 0.431 826 N N 1.105 119.862 118.700 0.095 0.000 2.738 826 N HA -0.231 4.509 4.740 0.000 0.000 0.249 826 N C -1.430 174.128 175.510 0.081 0.000 1.047 826 N CA 0.505 53.601 53.050 0.076 0.000 0.707 826 N CB -0.791 37.738 38.487 0.070 0.000 0.937 826 N HN 0.197 nan 8.380 nan 0.000 0.545 827 S N -0.290 115.466 115.700 0.093 0.000 2.552 827 S HA 0.495 4.966 4.470 0.000 0.000 0.314 827 S C 0.827 175.473 174.600 0.076 0.000 1.099 827 S CA -0.150 58.110 58.200 0.099 0.000 1.070 827 S CB 1.193 64.492 63.200 0.165 0.000 0.998 827 S HN 0.284 nan 8.310 nan 0.000 0.474 828 T N 0.964 115.555 114.554 0.061 0.000 3.134 828 T HA 0.395 4.745 4.350 0.000 0.000 0.260 828 T C 0.002 174.732 174.700 0.050 0.000 1.027 828 T CA -0.239 61.889 62.100 0.046 0.000 0.913 828 T CB -0.425 68.461 68.868 0.030 0.000 1.046 828 T HN 0.724 nan 8.240 nan 0.000 0.553 829 E N 0.583 120.831 120.200 0.080 0.000 2.445 829 E HA 0.779 5.129 4.350 0.000 0.000 0.279 829 E C -0.849 175.845 176.600 0.156 0.000 1.018 829 E CA -1.351 55.113 56.400 0.107 0.000 0.816 829 E CB 1.166 30.924 29.700 0.096 0.000 1.356 829 E HN 0.352 nan 8.360 nan 0.000 0.462 830 R N -1.007 119.615 120.500 0.203 0.000 2.690 830 R HA 0.434 4.774 4.340 0.000 0.000 0.269 830 R C -1.441 174.986 176.300 0.211 0.000 1.037 830 R CA -0.979 55.247 56.100 0.211 0.000 0.877 830 R CB 0.747 31.173 30.300 0.211 0.000 1.255 830 R HN 0.652 nan 8.270 nan 0.000 0.467 831 E N 1.720 122.016 120.200 0.159 0.000 2.299 831 E HA 0.277 4.627 4.350 0.000 0.000 0.272 831 E C -1.199 175.453 176.600 0.087 0.000 1.043 831 E CA -0.615 55.820 56.400 0.059 0.000 0.895 831 E CB 0.728 30.418 29.700 -0.016 0.000 1.011 831 E HN 0.489 nan 8.360 nan 0.000 0.432 832 L N 6.400 127.619 121.223 -0.007 0.000 2.333 832 L HA 0.387 4.727 4.340 0.000 0.000 0.280 832 L C -1.879 174.929 176.870 -0.104 0.000 1.004 832 L CA -0.780 54.053 54.840 -0.012 0.000 0.820 832 L CB 1.243 43.100 42.059 -0.337 0.000 1.247 832 L HN 0.604 nan 8.230 nan 0.000 0.416 833 Y N 5.549 125.707 120.300 -0.236 0.000 2.328 833 Y HA 0.596 5.146 4.550 0.000 0.000 0.333 833 Y C -1.238 174.403 175.900 -0.431 0.000 0.958 833 Y CA -0.866 56.992 58.100 -0.403 0.000 1.167 833 Y CB 1.175 39.337 38.460 -0.496 0.000 1.151 833 Y HN 0.547 nan 8.280 nan 0.000 0.470 834 L N 9.214 129.741 121.223 -1.160 0.000 2.276 834 L HA 0.423 4.763 4.340 0.000 0.000 0.286 834 L C -2.243 173.885 176.870 -1.236 0.000 1.061 834 L CA -2.067 52.059 54.840 -1.190 0.000 0.807 834 L CB 0.875 42.379 42.059 -0.926 0.000 1.177 834 L HN 0.522 nan 8.230 nan 0.000 0.429 835 P HA -0.001 nan 4.420 nan 0.000 0.268 835 P C -0.177 177.023 177.300 -0.166 0.000 1.205 835 P CA -0.098 62.684 63.100 -0.530 0.000 0.771 835 P CB 0.914 32.030 31.700 -0.973 0.000 0.858 836 V N 5.295 125.184 119.914 -0.041 0.000 3.133 836 V HA 0.121 4.241 4.120 0.000 0.000 0.305 836 V C 1.293 177.485 176.094 0.164 0.000 1.084 836 V CA 0.008 62.359 62.300 0.086 0.000 1.089 836 V CB -0.369 31.532 31.823 0.129 0.000 1.073 836 V HN 0.585 nan 8.190 nan 0.000 0.477 837 L N 1.726 122.996 121.223 0.078 0.000 4.696 837 L HA -0.174 4.166 4.340 0.000 0.000 0.425 837 L C 0.373 177.234 176.870 -0.015 0.000 1.115 837 L CA 1.020 55.884 54.840 0.040 0.000 0.996 837 L CB -2.189 39.901 42.059 0.052 0.000 2.077 837 L HN 0.864 nan 8.230 nan 0.000 0.792 838 T N -1.333 113.179 114.554 -0.070 0.000 2.812 838 T HA 0.599 4.949 4.350 0.000 0.000 0.294 838 T C -1.125 173.336 174.700 -0.398 0.000 1.159 838 T CA -0.536 61.413 62.100 -0.251 0.000 1.008 838 T CB 2.102 70.751 68.868 -0.367 0.000 1.289 838 T HN 0.097 nan 8.240 nan 0.000 0.514 839 Q N 0.809 120.306 119.800 -0.504 0.000 2.266 839 Q HA 0.451 4.792 4.340 0.000 0.000 0.261 839 Q C -1.402 174.143 176.000 -0.759 0.000 0.985 839 Q CA -0.319 55.185 55.803 -0.498 0.000 0.873 839 Q CB 1.942 30.489 28.738 -0.318 0.000 1.306 839 Q HN 0.650 nan 8.270 nan 0.000 0.447 840 W N 1.039 122.110 121.300 -0.382 0.000 2.736 840 W HA 0.465 5.125 4.660 0.000 0.000 0.335 840 W C -0.915 175.326 176.519 -0.464 0.000 1.059 840 W CA -0.574 56.574 57.345 -0.328 0.000 1.226 840 W CB 1.217 30.470 29.460 -0.346 0.000 1.416 840 W HN 0.440 nan 8.180 nan 0.000 0.505 841 Y N 1.963 122.434 120.300 0.286 0.000 2.328 841 Y HA 0.264 4.814 4.550 0.000 0.000 0.336 841 Y C 0.436 176.504 175.900 0.281 0.000 0.960 841 Y CA -1.557 56.676 58.100 0.222 0.000 1.134 841 Y CB 1.498 40.056 38.460 0.163 0.000 1.166 841 Y HN 0.215 nan 8.280 nan 0.000 0.464 842 K N 3.172 123.790 120.400 0.364 0.000 2.484 842 K HA 0.110 4.430 4.320 0.000 0.000 0.280 842 K C -1.170 175.179 176.600 -0.419 0.000 1.013 842 K CA 0.461 56.866 56.287 0.196 0.000 1.029 842 K CB 0.297 32.916 32.500 0.199 0.000 0.902 842 K HN 0.640 nan 8.250 nan 0.000 0.481 843 F N 1.859 121.490 119.950 -0.532 0.000 3.305 843 F HA 0.606 5.133 4.527 0.000 0.000 0.292 843 F C 0.435 176.050 175.800 -0.307 0.000 1.516 843 F CA 0.686 58.386 58.000 -0.500 0.000 1.010 843 F CB 0.961 39.940 39.000 -0.036 0.000 1.738 843 F HN 0.788 nan 8.300 nan 0.000 0.402 844 G N 0.381 108.899 108.800 -0.470 0.000 2.592 844 G HA2 -0.081 3.879 3.960 0.000 0.000 0.684 844 G HA3 -0.081 3.879 3.960 0.000 0.000 0.684 844 G C -2.632 171.493 174.900 -1.292 0.000 1.291 844 G CA -0.499 43.921 45.100 -1.132 0.000 0.891 844 G HN 0.389 nan 8.290 nan 0.000 0.544 845 P HA 0.035 nan 4.420 nan 0.000 0.221 845 P C 1.047 178.068 177.300 -0.464 0.000 1.145 845 P CA 1.577 64.173 63.100 -0.840 0.000 0.795 845 P CB 0.091 31.245 31.700 -0.909 0.000 0.775 846 D N -1.495 118.655 120.400 -0.416 0.000 2.194 846 D HA -0.022 4.618 4.640 0.000 0.000 0.204 846 D C 1.250 177.333 176.300 -0.361 0.000 0.964 846 D CA 0.881 54.677 54.000 -0.340 0.000 0.846 846 D CB -0.637 39.944 40.800 -0.365 0.000 0.962 846 D HN 0.205 nan 8.370 nan 0.000 0.490 847 F N 0.594 120.287 119.950 -0.428 0.000 2.802 847 F HA 0.027 4.554 4.527 0.000 0.000 0.300 847 F C 1.745 177.412 175.800 -0.221 0.000 1.168 847 F CA 0.194 57.988 58.000 -0.344 0.000 1.433 847 F CB 0.031 38.742 39.000 -0.482 0.000 1.115 847 F HN -0.149 nan 8.300 nan 0.000 0.582 848 D N -0.519 119.845 120.400 -0.060 0.000 2.289 848 D HA -0.094 4.546 4.640 0.000 0.000 0.207 848 D C 1.825 178.213 176.300 0.145 0.000 0.966 848 D CA 1.389 55.466 54.000 0.128 0.000 0.868 848 D CB 0.123 41.027 40.800 0.173 0.000 0.943 848 D HN 0.164 nan 8.370 nan 0.000 0.514 849 T N -2.741 111.837 114.554 0.040 0.000 3.182 849 T HA 0.240 4.590 4.350 0.000 0.000 0.277 849 T C 0.149 174.846 174.700 -0.004 0.000 1.013 849 T CA -0.687 61.432 62.100 0.033 0.000 0.900 849 T CB -0.086 68.779 68.868 -0.005 0.000 1.098 849 T HN 0.179 nan 8.240 nan 0.000 0.543 850 K N -0.359 120.031 120.400 -0.016 0.000 2.551 850 K HA 0.717 5.037 4.320 0.000 0.000 0.269 850 K C -3.604 173.028 176.600 0.054 0.000 0.949 850 K CA -2.367 53.898 56.287 -0.037 0.000 0.849 850 K CB 1.049 33.447 32.500 -0.169 0.000 1.411 850 K HN -0.228 nan 8.250 nan 0.000 0.432 851 P HA 0.082 nan 4.420 nan 0.000 0.272 851 P C -0.549 176.927 177.300 0.294 0.000 1.230 851 P CA -0.403 62.788 63.100 0.152 0.000 0.788 851 P CB 0.387 32.148 31.700 0.102 0.000 0.949 852 L N 0.895 122.335 121.223 0.361 0.000 2.473 852 L HA 0.119 4.459 4.340 0.000 0.000 0.268 852 L C 1.247 178.383 176.870 0.443 0.000 1.215 852 L CA 0.126 55.270 54.840 0.507 0.000 0.823 852 L CB -0.227 42.020 42.059 0.313 0.000 1.099 852 L HN 0.375 nan 8.230 nan 0.000 0.483 853 E N 0.306 120.830 120.200 0.540 0.000 2.342 853 E HA 0.291 4.641 4.350 0.000 0.000 0.257 853 E C 0.205 177.048 176.600 0.404 0.000 1.150 853 E CA -0.487 56.162 56.400 0.415 0.000 0.926 853 E CB 0.548 30.501 29.700 0.421 0.000 1.074 853 E HN 0.721 nan 8.360 nan 0.000 0.449 854 G N 0.040 109.018 108.800 0.296 0.000 2.720 854 G HA2 0.228 4.188 3.960 0.000 0.000 0.237 854 G HA3 0.228 4.188 3.960 0.000 0.000 0.237 854 G C -0.141 174.875 174.900 0.194 0.000 1.239 854 G CA -0.085 45.172 45.100 0.262 0.000 0.847 854 G HN 0.545 nan 8.290 nan 0.000 0.593 855 A N 1.346 124.216 122.820 0.084 0.000 2.565 855 A HA 0.394 4.714 4.320 0.000 0.000 0.237 855 A C 0.654 178.126 177.584 -0.187 0.000 1.053 855 A CA 0.440 52.298 52.037 -0.298 0.000 0.755 855 A CB -0.048 18.837 19.000 -0.192 0.000 0.980 855 A HN 0.603 nan 8.150 nan 0.000 0.506 856 M N 3.284 122.729 119.600 -0.257 0.000 2.101 856 M HA 0.174 4.654 4.480 0.000 0.000 0.340 856 M C -0.503 175.733 176.300 -0.107 0.000 1.057 856 M CA -0.687 54.535 55.300 -0.130 0.000 0.984 856 M CB 0.978 33.501 32.600 -0.129 0.000 1.560 856 M HN 0.659 nan 8.290 nan 0.000 0.435 857 N N 2.214 120.865 118.700 -0.083 0.000 2.412 857 N HA 0.108 4.848 4.740 0.000 0.000 0.258 857 N C 0.289 175.775 175.510 -0.040 0.000 1.236 857 N CA 0.306 53.318 53.050 -0.065 0.000 0.882 857 N CB 0.673 39.131 38.487 -0.049 0.000 1.066 857 N HN 0.833 nan 8.380 nan 0.000 0.465 858 G N -0.229 108.570 108.800 -0.002 0.000 2.527 858 G HA2 0.408 4.368 3.960 0.000 0.000 0.248 858 G HA3 0.408 4.368 3.960 0.000 0.000 0.248 858 G C 0.967 175.815 174.900 -0.087 0.000 1.231 858 G CA -0.011 45.112 45.100 0.039 0.000 0.838 858 G HN 0.792 nan 8.290 nan 0.000 0.570 859 G N 0.778 109.430 108.800 -0.247 0.000 2.162 859 G HA2 -0.239 3.721 3.960 0.000 0.000 0.260 859 G HA3 -0.239 3.721 3.960 0.000 0.000 0.260 859 G C 0.112 174.940 174.900 -0.121 0.000 0.976 859 G CA 0.399 45.397 45.100 -0.169 0.000 0.655 859 G HN 0.771 nan 8.290 nan 0.000 0.533 860 D N -0.077 120.179 120.400 -0.240 0.000 2.304 860 D HA 0.466 5.106 4.640 0.000 0.000 0.250 860 D C 0.644 176.849 176.300 -0.158 0.000 1.107 860 D CA -0.107 53.808 54.000 -0.142 0.000 0.885 860 D CB 0.812 41.524 40.800 -0.146 0.000 1.192 860 D HN 0.320 nan 8.370 nan 0.000 0.436 861 R N 3.080 123.589 120.500 0.015 0.000 2.275 861 R HA 0.406 4.746 4.340 0.000 0.000 0.326 861 R C -0.822 175.452 176.300 -0.042 0.000 0.973 861 R CA -0.572 55.532 56.100 0.006 0.000 0.854 861 R CB 0.216 30.539 30.300 0.038 0.000 1.156 861 R HN 0.406 nan 8.270 nan 0.000 0.487 862 I N 5.595 126.102 120.570 -0.104 0.000 2.306 862 I HA 0.215 4.385 4.170 0.000 0.000 0.288 862 I C -0.454 175.675 176.117 0.019 0.000 1.036 862 I CA -0.666 60.648 61.300 0.023 0.000 1.221 862 I CB 0.667 38.693 38.000 0.043 0.000 1.385 862 I HN 0.493 nan 8.210 nan 0.000 0.472 863 Y N 5.039 125.398 120.300 0.098 0.000 2.357 863 Y HA 0.094 4.645 4.550 0.000 0.000 0.340 863 Y C 1.404 177.386 175.900 0.136 0.000 1.260 863 Y CA -0.134 58.030 58.100 0.106 0.000 1.425 863 Y CB 0.343 38.848 38.460 0.075 0.000 1.326 863 Y HN 0.563 nan 8.280 nan 0.000 0.580 864 N N 0.521 119.388 118.700 0.279 0.000 2.721 864 N HA -0.328 4.412 4.740 0.000 0.000 0.249 864 N C -1.068 174.565 175.510 0.206 0.000 1.072 864 N CA 0.463 53.637 53.050 0.207 0.000 0.710 864 N CB -1.404 37.181 38.487 0.164 0.000 0.993 864 N HN 0.595 nan 8.380 nan 0.000 0.547 865 Y N 2.758 123.120 120.300 0.104 0.000 2.587 865 Y HA 0.142 4.692 4.550 0.000 0.000 0.344 865 Y C -1.751 174.206 175.900 0.096 0.000 1.061 865 Y CA -1.736 56.421 58.100 0.096 0.000 1.370 865 Y CB 0.624 39.139 38.460 0.092 0.000 1.163 865 Y HN 0.086 nan 8.280 nan 0.000 0.527 866 P HA -0.028 nan 4.420 nan 0.000 0.262 866 P C -1.038 176.109 177.300 -0.255 0.000 1.199 866 P CA 0.444 63.415 63.100 -0.214 0.000 0.763 866 P CB 0.821 32.407 31.700 -0.190 0.000 0.790 867 V N 6.262 126.136 119.914 -0.067 0.000 2.454 867 V HA 0.207 4.327 4.120 0.000 0.000 0.267 867 V C -1.953 174.150 176.094 0.015 0.000 0.993 867 V CA -1.720 60.578 62.300 -0.002 0.000 0.836 867 V CB 1.417 33.292 31.823 0.086 0.000 1.055 867 V HN 0.479 nan 8.190 nan 0.000 0.452 868 P HA 0.107 nan 4.420 nan 0.000 0.273 868 P C 0.822 178.133 177.300 0.019 0.000 1.250 868 P CA -0.026 63.083 63.100 0.014 0.000 0.793 868 P CB 1.226 32.933 31.700 0.011 0.000 1.011 869 Q N 0.833 120.644 119.800 0.017 0.000 2.096 869 Q HA -0.213 4.127 4.340 0.000 0.000 0.208 869 Q C 1.904 177.909 176.000 0.008 0.000 0.993 869 Q CA 2.784 58.590 55.803 0.007 0.000 0.862 869 Q CB -0.418 28.328 28.738 0.014 0.000 0.915 869 Q HN 0.600 nan 8.270 nan 0.000 0.416 870 S N -0.925 114.803 115.700 0.047 0.000 2.547 870 S HA -0.010 4.460 4.470 0.000 0.000 0.235 870 S C 0.281 175.003 174.600 0.204 0.000 0.980 870 S CA 0.253 58.520 58.200 0.113 0.000 0.941 870 S CB 0.080 63.331 63.200 0.085 0.000 0.763 870 S HN 0.271 nan 8.310 nan 0.000 0.532 871 E N 0.232 120.505 120.200 0.123 0.000 2.281 871 E HA 0.654 5.004 4.350 0.000 0.000 0.262 871 E C -1.298 175.366 176.600 0.107 0.000 0.933 871 E CA -0.738 55.764 56.400 0.169 0.000 0.809 871 E CB 2.045 31.807 29.700 0.103 0.000 1.242 871 E HN 0.146 nan 8.360 nan 0.000 0.418 872 S N 1.036 116.828 115.700 0.152 0.000 2.546 872 S HA 0.410 4.880 4.470 0.000 0.000 0.272 872 S C -2.845 171.746 174.600 -0.014 0.000 1.140 872 S CA -1.505 56.725 58.200 0.051 0.000 0.920 872 S CB 1.292 64.507 63.200 0.025 0.000 1.083 872 S HN 0.134 nan 8.310 nan 0.000 0.476 873 P HA 0.411 nan 4.420 nan 0.000 0.269 873 P C -1.181 175.731 177.300 -0.648 0.000 1.263 873 P CA 0.206 63.153 63.100 -0.255 0.000 0.813 873 P CB -0.116 31.614 31.700 0.049 0.000 0.868 874 I N 4.701 124.652 120.570 -1.032 0.000 2.569 874 I HA 0.454 4.624 4.170 0.000 0.000 0.290 874 I C -0.665 174.870 176.117 -0.970 0.000 1.088 874 I CA -0.614 60.250 61.300 -0.728 0.000 1.047 874 I CB 1.533 39.455 38.000 -0.130 0.000 1.237 874 I HN 0.103 nan 8.210 nan 0.000 0.421 875 F N 4.973 124.967 119.950 0.074 0.000 2.569 875 F HA 0.577 5.104 4.527 0.000 0.000 0.312 875 F C -0.352 175.562 175.800 0.191 0.000 1.109 875 F CA -1.124 56.948 58.000 0.120 0.000 0.919 875 F CB 1.613 40.617 39.000 0.007 0.000 1.211 875 F HN -0.080 nan 8.300 nan 0.000 0.446 876 V N 3.040 123.094 119.914 0.234 0.000 2.407 876 V HA 0.405 4.525 4.120 0.000 0.000 0.278 876 V C 0.317 176.438 176.094 0.046 0.000 1.037 876 V CA -0.830 61.404 62.300 -0.110 0.000 0.900 876 V CB 1.335 32.573 31.823 -0.975 0.000 0.983 876 V HN 0.716 nan 8.190 nan 0.000 0.459 877 R N 3.511 123.989 120.500 -0.037 0.000 2.590 877 R HA 0.154 4.494 4.340 0.000 0.000 0.274 877 R C 0.630 176.818 176.300 -0.186 0.000 1.061 877 R CA -0.297 55.583 56.100 -0.367 0.000 1.081 877 R CB 0.605 30.622 30.300 -0.471 0.000 0.984 877 R HN 0.918 nan 8.270 nan 0.000 0.448 878 E N 2.242 122.353 120.200 -0.149 0.000 2.442 878 E HA 0.095 4.446 4.350 0.000 0.000 0.260 878 E C 0.441 177.036 176.600 -0.008 0.000 1.148 878 E CA 0.127 56.549 56.400 0.036 0.000 0.976 878 E CB 0.338 30.071 29.700 0.056 0.000 0.967 878 E HN 0.782 nan 8.360 nan 0.000 0.454 879 G N 0.422 109.253 108.800 0.051 0.000 2.198 879 G HA2 -0.184 3.776 3.960 0.000 0.000 0.260 879 G HA3 -0.184 3.776 3.960 0.000 0.000 0.260 879 G C 0.025 174.980 174.900 0.092 0.000 1.025 879 G CA 0.078 45.206 45.100 0.047 0.000 0.769 879 G HN 0.939 nan 8.290 nan 0.000 0.507 880 A N -0.206 122.684 122.820 0.117 0.000 2.303 880 A HA 0.829 5.149 4.320 0.000 0.000 0.320 880 A C 0.000 177.749 177.584 0.275 0.000 1.192 880 A CA -0.597 51.530 52.037 0.150 0.000 0.821 880 A CB 0.920 19.907 19.000 -0.021 0.000 1.188 880 A HN 0.718 nan 8.150 nan 0.000 0.492 881 I N 3.218 123.913 120.570 0.208 0.000 2.389 881 I HA 0.368 4.538 4.170 0.000 0.000 0.288 881 I C -0.744 175.510 176.117 0.229 0.000 0.999 881 I CA -0.182 61.249 61.300 0.219 0.000 1.129 881 I CB 1.460 39.530 38.000 0.117 0.000 1.288 881 I HN 0.479 nan 8.210 nan 0.000 0.444 882 L N 8.023 129.409 121.223 0.271 0.000 2.346 882 L HA 0.563 4.903 4.340 0.000 0.000 0.276 882 L C -2.429 174.520 176.870 0.131 0.000 1.006 882 L CA -1.904 53.024 54.840 0.147 0.000 0.817 882 L CB 2.331 44.446 42.059 0.094 0.000 1.272 882 L HN 0.304 nan 8.230 nan 0.000 0.421 883 P HA 0.192 nan 4.420 nan 0.000 0.287 883 P C -0.925 176.336 177.300 -0.065 0.000 1.294 883 P CA -0.237 62.760 63.100 -0.173 0.000 0.776 883 P CB 1.115 32.706 31.700 -0.181 0.000 0.889 884 T N 4.388 118.916 114.554 -0.043 0.000 2.888 884 T HA 0.536 4.886 4.350 0.000 0.000 0.284 884 T C 0.039 174.680 174.700 -0.098 0.000 1.017 884 T CA -0.743 61.366 62.100 0.015 0.000 1.022 884 T CB 1.206 70.133 68.868 0.099 0.000 1.013 884 T HN 0.207 nan 8.240 nan 0.000 0.465 885 R N 1.235 121.616 120.500 -0.199 0.000 2.670 885 R HA 0.605 4.945 4.340 0.000 0.000 0.289 885 R C -1.458 174.700 176.300 -0.236 0.000 0.965 885 R CA -0.701 55.353 56.100 -0.077 0.000 0.899 885 R CB 1.444 31.764 30.300 0.034 0.000 1.173 885 R HN 0.667 nan 8.270 nan 0.000 0.456 886 Y N -0.913 119.533 120.300 0.242 0.000 2.605 886 Y HA 0.391 4.941 4.550 0.000 0.000 0.343 886 Y C 0.659 176.605 175.900 0.076 0.000 1.036 886 Y CA -0.800 57.411 58.100 0.186 0.000 1.065 886 Y CB 1.894 40.421 38.460 0.112 0.000 1.288 886 Y HN 0.527 nan 8.280 nan 0.000 0.481 887 T N -0.809 113.858 114.554 0.189 0.000 2.875 887 T HA 0.274 4.624 4.350 0.000 0.000 0.284 887 T C 0.612 175.314 174.700 0.003 0.000 0.995 887 T CA -0.702 61.369 62.100 -0.048 0.000 1.060 887 T CB 1.326 70.144 68.868 -0.083 0.000 0.967 887 T HN 0.611 nan 8.240 nan 0.000 0.476 888 L N 2.096 123.288 121.223 -0.051 0.000 2.083 888 L HA -0.038 4.302 4.340 0.000 0.000 0.209 888 L C 1.867 178.759 176.870 0.037 0.000 1.083 888 L CA 1.784 56.623 54.840 -0.001 0.000 0.752 888 L CB -0.609 41.442 42.059 -0.013 0.000 0.899 888 L HN 0.911 nan 8.230 nan 0.000 0.433 889 N N -1.267 117.436 118.700 0.005 0.000 2.230 889 N HA 0.152 4.892 4.740 0.000 0.000 0.202 889 N C 1.274 176.792 175.510 0.014 0.000 1.119 889 N CA 0.593 53.646 53.050 0.004 0.000 0.851 889 N CB -0.143 38.335 38.487 -0.015 0.000 0.990 889 N HN 0.219 nan 8.380 nan 0.000 0.497 890 G N -0.080 108.747 108.800 0.044 0.000 2.180 890 G HA2 -0.326 3.634 3.960 0.000 0.000 0.263 890 G HA3 -0.326 3.634 3.960 0.000 0.000 0.263 890 G C -0.493 174.430 174.900 0.037 0.000 0.989 890 G CA 0.360 45.495 45.100 0.057 0.000 0.692 890 G HN 0.536 nan 8.290 nan 0.000 0.526 891 E N 0.873 121.085 120.200 0.019 0.000 2.109 891 E HA 0.218 4.568 4.350 0.000 0.000 0.278 891 E C -0.101 176.513 176.600 0.024 0.000 0.954 891 E CA -0.915 55.493 56.400 0.013 0.000 0.779 891 E CB 0.410 30.110 29.700 0.000 0.000 1.093 891 E HN 0.230 nan 8.360 nan 0.000 0.401 892 N N 4.784 123.502 118.700 0.031 0.000 2.256 892 N HA -0.118 4.622 4.740 0.000 0.000 0.277 892 N C -0.492 175.050 175.510 0.054 0.000 1.362 892 N CA 0.985 54.058 53.050 0.037 0.000 0.861 892 N CB 0.123 38.609 38.487 -0.002 0.000 1.136 892 N HN 0.455 nan 8.380 nan 0.000 0.492 893 K N -0.988 119.475 120.400 0.106 0.000 2.395 893 K HA 0.489 4.809 4.320 0.000 0.000 0.247 893 K C -0.325 176.464 176.600 0.316 0.000 0.973 893 K CA -0.949 55.426 56.287 0.147 0.000 0.828 893 K CB 1.154 33.697 32.500 0.072 0.000 1.272 893 K HN 0.309 nan 8.250 nan 0.000 0.439 894 S N 1.264 117.121 115.700 0.262 0.000 2.560 894 S HA 0.041 4.511 4.470 0.000 0.000 0.284 894 S C 1.410 176.270 174.600 0.433 0.000 1.327 894 S CA -0.655 57.734 58.200 0.314 0.000 1.055 894 S CB 0.100 63.361 63.200 0.103 0.000 0.868 894 S HN 0.643 nan 8.310 nan 0.000 0.506 895 L N 1.969 123.382 121.223 0.316 0.000 2.129 895 L HA -0.217 4.124 4.340 0.000 0.000 0.212 895 L C 2.513 179.454 176.870 0.117 0.000 1.087 895 L CA 1.977 56.811 54.840 -0.011 0.000 0.757 895 L CB -1.085 40.794 42.059 -0.299 0.000 0.896 895 L HN 0.929 nan 8.230 nan 0.000 0.434 896 N N -0.803 117.982 118.700 0.142 0.000 2.459 896 N HA -0.152 4.589 4.740 0.000 0.000 0.181 896 N C 1.352 177.071 175.510 0.349 0.000 1.046 896 N CA 1.295 54.482 53.050 0.229 0.000 0.904 896 N CB -0.364 38.179 38.487 0.094 0.000 0.964 896 N HN 0.315 nan 8.380 nan 0.000 0.444 897 T N -4.612 110.117 114.554 0.293 0.000 3.122 897 T HA 0.140 4.490 4.350 0.000 0.000 0.250 897 T C -0.135 174.692 174.700 0.212 0.000 1.067 897 T CA -0.529 61.702 62.100 0.219 0.000 0.966 897 T CB -0.597 68.351 68.868 0.134 0.000 1.002 897 T HN 0.032 nan 8.240 nan 0.000 0.542 898 Y N 3.595 123.951 120.300 0.093 0.000 2.497 898 Y HA 0.410 4.960 4.550 0.000 0.000 0.334 898 Y C 1.453 177.388 175.900 0.058 0.000 1.199 898 Y CA -0.306 57.839 58.100 0.075 0.000 1.425 898 Y CB 0.627 39.130 38.460 0.072 0.000 1.291 898 Y HN 0.314 nan 8.280 nan 0.000 0.562 899 T N -2.293 112.338 114.554 0.128 0.000 2.910 899 T HA 0.278 4.628 4.350 0.000 0.000 0.287 899 T C 0.468 175.187 174.700 0.032 0.000 1.050 899 T CA -0.896 61.242 62.100 0.064 0.000 1.011 899 T CB 1.393 70.262 68.868 0.002 0.000 1.195 899 T HN 0.447 nan 8.240 nan 0.000 0.540 900 D N 0.201 120.540 120.400 -0.103 0.000 2.310 900 D HA -0.040 4.600 4.640 0.000 0.000 0.212 900 D C 1.673 177.839 176.300 -0.222 0.000 0.965 900 D CA 0.623 54.394 54.000 -0.382 0.000 0.879 900 D CB 0.100 40.443 40.800 -0.763 0.000 0.921 900 D HN 0.526 nan 8.370 nan 0.000 0.510 901 E N 0.839 120.990 120.200 -0.082 0.000 2.268 901 E HA -0.059 4.291 4.350 0.000 0.000 0.195 901 E C 0.115 176.740 176.600 0.041 0.000 0.995 901 E CA 0.438 56.836 56.400 -0.005 0.000 0.836 901 E CB -0.136 29.555 29.700 -0.015 0.000 0.763 901 E HN 0.370 nan 8.360 nan 0.000 0.491 902 D N 2.705 123.130 120.400 0.043 0.000 2.346 902 D HA 0.094 4.734 4.640 0.000 0.000 0.260 902 D C -2.334 174.075 176.300 0.182 0.000 1.252 902 D CA -1.466 52.562 54.000 0.046 0.000 0.895 902 D CB 0.664 41.446 40.800 -0.030 0.000 1.097 902 D HN -0.093 nan 8.370 nan 0.000 0.489 903 P HA -0.097 nan 4.420 nan 0.000 0.259 903 P C -0.208 177.275 177.300 0.305 0.000 1.163 903 P CA -0.094 63.068 63.100 0.103 0.000 0.760 903 P CB 0.355 31.626 31.700 -0.714 0.000 0.762 904 L N 6.389 127.870 121.223 0.430 0.000 2.265 904 L HA 0.392 4.732 4.340 0.000 0.000 0.289 904 L C -0.979 176.040 176.870 0.248 0.000 1.033 904 L CA -0.230 54.732 54.840 0.204 0.000 0.814 904 L CB 1.006 43.004 42.059 -0.102 0.000 1.203 904 L HN 0.035 nan 8.230 nan 0.000 0.423 905 V N 5.953 125.965 119.914 0.162 0.000 2.495 905 V HA 0.419 4.539 4.120 0.000 0.000 0.298 905 V C -0.512 175.566 176.094 -0.026 0.000 1.031 905 V CA -0.352 62.112 62.300 0.273 0.000 0.871 905 V CB 1.447 33.559 31.823 0.483 0.000 0.988 905 V HN 0.509 nan 8.190 nan 0.000 0.432 906 F N 2.642 122.767 119.950 0.293 0.000 2.335 906 F HA 0.383 4.910 4.527 0.000 0.000 0.365 906 F C 0.666 176.515 175.800 0.082 0.000 1.122 906 F CA -0.348 57.777 58.000 0.208 0.000 1.151 906 F CB 0.881 40.060 39.000 0.298 0.000 1.282 906 F HN 0.520 nan 8.300 nan 0.000 0.513 907 E N 3.125 123.405 120.200 0.134 0.000 2.152 907 E HA 0.335 4.685 4.350 0.000 0.000 0.285 907 E C -1.084 175.435 176.600 -0.135 0.000 1.043 907 E CA -0.386 55.947 56.400 -0.111 0.000 0.839 907 E CB 0.831 30.414 29.700 -0.195 0.000 1.069 907 E HN 0.365 nan 8.360 nan 0.000 0.399 908 V N 6.882 126.693 119.914 -0.172 0.000 2.320 908 V HA 0.193 4.313 4.120 0.000 0.000 0.265 908 V C -0.150 175.826 176.094 -0.197 0.000 1.048 908 V CA -0.350 61.898 62.300 -0.086 0.000 0.865 908 V CB -0.393 31.405 31.823 -0.042 0.000 1.043 908 V HN 0.599 nan 8.190 nan 0.000 0.474 909 F N 5.717 125.640 119.950 -0.045 0.000 2.403 909 F HA 0.363 4.890 4.527 0.000 0.000 0.320 909 F C -1.520 174.211 175.800 -0.115 0.000 1.176 909 F CA -2.106 55.832 58.000 -0.103 0.000 1.206 909 F CB -0.023 38.914 39.000 -0.105 0.000 1.235 909 F HN 0.309 nan 8.300 nan 0.000 0.565 910 P HA -0.019 nan 4.420 nan 0.000 0.264 910 P C -0.740 176.608 177.300 0.081 0.000 1.179 910 P CA 0.215 63.302 63.100 -0.021 0.000 0.763 910 P CB 0.256 31.874 31.700 -0.137 0.000 0.806 911 L N 2.215 123.471 121.223 0.054 0.000 2.453 911 L HA 0.313 4.653 4.340 0.000 0.000 0.272 911 L C 1.361 178.258 176.870 0.045 0.000 1.182 911 L CA 0.011 54.876 54.840 0.040 0.000 0.858 911 L CB -0.037 42.030 42.059 0.013 0.000 1.120 911 L HN 0.419 nan 8.230 nan 0.000 0.474 912 G N 2.211 111.024 108.800 0.021 0.000 2.377 912 G HA2 0.273 4.233 3.960 0.000 0.000 0.316 912 G HA3 0.273 4.233 3.960 0.000 0.000 0.316 912 G C 0.168 175.057 174.900 -0.019 0.000 1.115 912 G CA -0.318 44.778 45.100 -0.007 0.000 0.952 912 G HN 0.809 nan 8.290 nan 0.000 0.441 913 N N 1.982 120.671 118.700 -0.018 0.000 2.780 913 N HA -0.180 4.560 4.740 0.000 0.000 0.248 913 N C 0.187 175.685 175.510 -0.020 0.000 1.102 913 N CA 0.927 53.964 53.050 -0.022 0.000 0.697 913 N CB -1.059 37.410 38.487 -0.030 0.000 1.028 913 N HN 0.757 nan 8.380 nan 0.000 0.554 914 N N -0.814 117.878 118.700 -0.013 0.000 2.740 914 N HA -0.203 4.537 4.740 0.000 0.000 0.248 914 N C -0.272 175.223 175.510 -0.024 0.000 1.062 914 N CA 1.283 54.325 53.050 -0.015 0.000 0.704 914 N CB -0.604 37.874 38.487 -0.015 0.000 0.968 914 N HN 0.651 nan 8.380 nan 0.000 0.547 915 R N -0.785 119.699 120.500 -0.026 0.000 2.663 915 R HA 0.783 5.123 4.340 0.000 0.000 0.267 915 R C -1.647 174.631 176.300 -0.038 0.000 1.038 915 R CA -0.275 55.799 56.100 -0.043 0.000 0.886 915 R CB 1.901 32.168 30.300 -0.054 0.000 1.249 915 R HN 0.140 nan 8.270 nan 0.000 0.463 916 A N 2.158 124.941 122.820 -0.062 0.000 2.547 916 A HA 0.544 4.865 4.320 0.000 0.000 0.297 916 A C -1.852 175.653 177.584 -0.132 0.000 1.056 916 A CA -0.753 51.252 52.037 -0.053 0.000 0.688 916 A CB 1.928 20.924 19.000 -0.005 0.000 1.282 916 A HN 0.631 nan 8.150 nan 0.000 0.400 917 D N 0.079 120.370 120.400 -0.182 0.000 2.671 917 D HA 0.680 5.320 4.640 0.000 0.000 0.232 917 D C -0.280 175.942 176.300 -0.129 0.000 1.114 917 D CA -0.031 53.758 54.000 -0.351 0.000 0.858 917 D CB 2.520 42.755 40.800 -0.942 0.000 1.544 917 D HN 0.924 nan 8.370 nan 0.000 0.471 918 G N 0.188 108.923 108.800 -0.108 0.000 2.690 918 G HA2 0.629 4.589 3.960 0.000 0.000 0.293 918 G HA3 0.629 4.589 3.960 0.000 0.000 0.293 918 G C -1.506 173.416 174.900 0.037 0.000 1.399 918 G CA -0.568 44.554 45.100 0.038 0.000 0.890 918 G HN 0.379 nan 8.290 nan 0.000 0.485 919 M N 0.553 120.230 119.600 0.128 0.000 2.421 919 M HA 0.603 5.084 4.480 0.000 0.000 0.287 919 M C -2.046 174.373 176.300 0.198 0.000 1.183 919 M CA -0.633 54.752 55.300 0.142 0.000 0.916 919 M CB 2.142 34.842 32.600 0.167 0.000 1.701 919 M HN 0.754 nan 8.290 nan 0.000 0.470 920 C N 4.566 123.996 119.300 0.217 0.000 2.505 920 C HA 0.499 4.959 4.460 0.000 0.000 0.342 920 C C -1.189 173.886 174.990 0.141 0.000 1.121 920 C CA -0.520 58.627 59.018 0.215 0.000 1.306 920 C CB 0.687 28.628 27.740 0.336 0.000 1.897 920 C HN 0.908 nan 8.230 nan 0.000 0.446 921 Y N 5.644 125.914 120.300 -0.050 0.000 2.346 921 Y HA 0.658 5.208 4.550 0.000 0.000 0.330 921 Y C -0.744 175.116 175.900 -0.068 0.000 1.178 921 Y CA 0.129 58.103 58.100 -0.211 0.000 1.331 921 Y CB 0.510 38.717 38.460 -0.421 0.000 1.253 921 Y HN 0.680 nan 8.280 nan 0.000 0.529 922 L N 7.010 127.785 121.223 -0.746 0.000 2.470 922 L HA 0.380 4.720 4.340 0.000 0.000 0.268 922 L C -1.358 175.034 176.870 -0.796 0.000 0.964 922 L CA -0.723 53.843 54.840 -0.455 0.000 0.839 922 L CB 1.870 43.927 42.059 -0.002 0.000 1.276 922 L HN 0.824 nan 8.230 nan 0.000 0.403 923 D N 0.017 119.970 120.400 -0.745 0.000 2.752 923 D HA 0.168 4.808 4.640 0.000 0.000 0.313 923 D C -0.091 175.613 176.300 -0.994 0.000 1.225 923 D CA -0.563 52.881 54.000 -0.928 0.000 0.976 923 D CB 0.771 41.351 40.800 -0.367 0.000 1.443 923 D HN 0.441 nan 8.370 nan 0.000 0.515 924 D N -1.627 118.352 120.400 -0.702 0.000 2.352 924 D HA 0.210 4.851 4.640 0.000 0.000 0.232 924 D C 1.524 177.792 176.300 -0.053 0.000 1.055 924 D CA 0.749 54.579 54.000 -0.283 0.000 0.891 924 D CB -0.290 40.504 40.800 -0.011 0.000 0.897 924 D HN 0.885 nan 8.370 nan 0.000 0.529 925 G N -0.996 107.788 108.800 -0.026 0.000 2.217 925 G HA2 -0.141 3.819 3.960 0.000 0.000 0.246 925 G HA3 -0.141 3.819 3.960 0.000 0.000 0.246 925 G C 1.144 176.079 174.900 0.057 0.000 0.990 925 G CA 0.207 45.317 45.100 0.017 0.000 0.627 925 G HN 1.437 nan 8.290 nan 0.000 0.522 926 G N -1.895 106.969 108.800 0.106 0.000 2.175 926 G HA2 -0.039 3.921 3.960 0.000 0.000 0.182 926 G HA3 -0.039 3.921 3.960 0.000 0.000 0.182 926 G C 1.221 176.286 174.900 0.276 0.000 1.003 926 G CA 1.004 46.175 45.100 0.117 0.000 0.666 926 G HN 1.412 nan 8.290 nan 0.000 0.506 927 V N 1.089 121.153 119.914 0.249 0.000 2.324 927 V HA 0.019 4.139 4.120 0.000 0.000 0.250 927 V C 1.937 178.040 176.094 0.015 0.000 1.060 927 V CA 2.784 65.106 62.300 0.038 0.000 1.042 927 V CB -0.693 31.090 31.823 -0.068 0.000 0.650 927 V HN 1.176 nan 8.190 nan 0.000 0.450 928 T N -3.134 111.442 114.554 0.036 0.000 2.907 928 T HA 0.388 4.739 4.350 0.000 0.000 0.290 928 T C 0.386 175.105 174.700 0.030 0.000 1.066 928 T CA 0.186 62.300 62.100 0.023 0.000 1.012 928 T CB 1.865 70.744 68.868 0.019 0.000 1.184 928 T HN 0.241 nan 8.240 nan 0.000 0.522 929 T N -1.257 113.309 114.554 0.019 0.000 3.273 929 T HA 0.261 4.611 4.350 0.000 0.000 0.254 929 T C 0.952 175.669 174.700 0.027 0.000 1.002 929 T CA -0.402 61.707 62.100 0.015 0.000 0.913 929 T CB -1.050 67.819 68.868 0.002 0.000 1.056 929 T HN 0.676 nan 8.240 nan 0.000 0.576 930 N N 1.275 120.000 118.700 0.041 0.000 2.270 930 N HA 0.051 4.791 4.740 0.000 0.000 0.181 930 N C 2.289 177.860 175.510 0.103 0.000 1.016 930 N CA 0.764 53.850 53.050 0.059 0.000 0.870 930 N CB -0.173 38.349 38.487 0.058 0.000 0.979 930 N HN 0.525 nan 8.380 nan 0.000 0.431 931 A N 2.326 125.217 122.820 0.118 0.000 1.873 931 A HA -0.231 4.089 4.320 0.000 0.000 0.218 931 A C 2.099 179.791 177.584 0.179 0.000 1.193 931 A CA 1.792 53.962 52.037 0.222 0.000 0.629 931 A CB -0.481 18.597 19.000 0.130 0.000 0.826 931 A HN 0.477 nan 8.150 nan 0.000 0.447 932 E N -0.966 119.263 120.200 0.048 0.000 2.230 932 E HA -0.114 4.236 4.350 0.000 0.000 0.192 932 E C 0.528 177.139 176.600 0.020 0.000 0.987 932 E CA 1.189 57.587 56.400 -0.004 0.000 0.841 932 E CB -0.344 29.324 29.700 -0.054 0.000 0.783 932 E HN 0.523 nan 8.360 nan 0.000 0.481 933 D N 0.959 121.379 120.400 0.033 0.000 2.277 933 D HA 0.037 4.677 4.640 0.000 0.000 0.209 933 D C 0.651 176.975 176.300 0.039 0.000 0.970 933 D CA 0.687 54.700 54.000 0.022 0.000 0.874 933 D CB 0.082 40.890 40.800 0.014 0.000 0.982 933 D HN 0.273 nan 8.370 nan 0.000 0.504 934 N N -1.423 117.318 118.700 0.068 0.000 2.082 934 N HA 0.254 4.994 4.740 0.000 0.000 0.228 934 N C 0.632 176.189 175.510 0.078 0.000 1.341 934 N CA 0.323 53.408 53.050 0.060 0.000 0.873 934 N CB 2.172 40.684 38.487 0.041 0.000 1.137 934 N HN 0.039 nan 8.380 nan 0.000 0.505 935 G N 1.442 110.342 108.800 0.167 0.000 2.143 935 G HA2 -0.317 3.643 3.960 0.000 0.000 0.248 935 G HA3 -0.317 3.643 3.960 0.000 0.000 0.248 935 G C 0.031 174.929 174.900 -0.003 0.000 0.991 935 G CA 0.095 45.300 45.100 0.176 0.000 0.689 935 G HN 0.134 nan 8.290 nan 0.000 0.522 936 K N 0.539 121.013 120.400 0.123 0.000 2.243 936 K HA 0.524 4.844 4.320 0.000 0.000 0.232 936 K C 0.086 176.775 176.600 0.148 0.000 1.237 936 K CA 0.021 56.348 56.287 0.067 0.000 1.161 936 K CB -0.674 31.877 32.500 0.086 0.000 1.505 936 K HN 0.601 nan 8.250 nan 0.000 0.271 937 F N -2.977 116.922 119.950 -0.085 0.000 2.662 937 F HA 0.653 5.180 4.527 0.000 0.000 0.312 937 F C -0.649 174.998 175.800 -0.255 0.000 1.113 937 F CA -1.213 56.646 58.000 -0.234 0.000 0.951 937 F CB 1.293 40.134 39.000 -0.265 0.000 1.344 937 F HN -0.185 nan 8.300 nan 0.000 0.462 938 S N 0.950 116.513 115.700 -0.229 0.000 2.521 938 S HA 0.716 5.186 4.470 0.000 0.000 0.295 938 S C -1.272 173.242 174.600 -0.145 0.000 1.098 938 S CA -0.757 57.307 58.200 -0.227 0.000 0.999 938 S CB 1.898 64.907 63.200 -0.317 0.000 1.034 938 S HN 0.593 nan 8.310 nan 0.000 0.483 939 V N 3.532 123.430 119.914 -0.026 0.000 2.304 939 V HA 0.333 4.453 4.120 0.000 0.000 0.278 939 V C -0.304 175.839 176.094 0.082 0.000 1.018 939 V CA -0.637 61.668 62.300 0.008 0.000 0.814 939 V CB 1.196 33.046 31.823 0.045 0.000 1.021 939 V HN 0.697 nan 8.190 nan 0.000 0.440 940 V N 5.896 125.866 119.914 0.094 0.000 2.461 940 V HA 0.382 4.502 4.120 0.000 0.000 0.275 940 V C 0.284 176.388 176.094 0.017 0.000 1.047 940 V CA -0.457 61.895 62.300 0.087 0.000 0.955 940 V CB 1.378 33.278 31.823 0.128 0.000 0.988 940 V HN 0.756 nan 8.190 nan 0.000 0.471 941 K N 3.405 123.770 120.400 -0.058 0.000 2.270 941 K HA 0.764 5.084 4.320 0.000 0.000 0.255 941 K C -1.279 175.096 176.600 -0.376 0.000 0.936 941 K CA -0.650 55.553 56.287 -0.141 0.000 0.809 941 K CB 2.574 35.037 32.500 -0.062 0.000 1.131 941 K HN 0.455 nan 8.250 nan 0.000 0.427 942 V N 1.247 120.875 119.914 -0.477 0.000 2.709 942 V HA 0.822 4.942 4.120 0.000 0.000 0.308 942 V C -1.551 174.292 176.094 -0.418 0.000 1.062 942 V CA -0.402 61.461 62.300 -0.728 0.000 0.901 942 V CB 1.706 32.781 31.823 -1.246 0.000 1.003 942 V HN 0.917 nan 8.190 nan 0.000 0.425 943 A N 4.918 127.527 122.820 -0.351 0.000 2.380 943 A HA 1.036 5.356 4.320 0.000 0.000 0.315 943 A C -0.372 177.104 177.584 -0.181 0.000 1.101 943 A CA -0.267 51.632 52.037 -0.230 0.000 0.771 943 A CB 1.989 20.884 19.000 -0.175 0.000 1.287 943 A HN 2.213 nan 8.150 nan 0.000 0.436 944 A N 1.701 124.443 122.820 -0.130 0.000 2.411 944 A HA 0.676 4.996 4.320 0.000 0.000 0.285 944 A C -0.927 176.618 177.584 -0.064 0.000 1.129 944 A CA -0.357 51.630 52.037 -0.083 0.000 0.736 944 A CB 0.671 19.632 19.000 -0.065 0.000 1.186 944 A HN 0.748 nan 8.150 nan 0.000 0.445 945 E N 1.197 121.366 120.200 -0.051 0.000 2.158 945 E HA 0.453 4.803 4.350 0.000 0.000 0.271 945 E C -0.592 175.991 176.600 -0.030 0.000 0.911 945 E CA -0.615 55.760 56.400 -0.041 0.000 0.767 945 E CB 1.820 31.496 29.700 -0.040 0.000 1.120 945 E HN 0.619 nan 8.360 nan 0.000 0.405 946 Q N 2.205 121.990 119.800 -0.025 0.000 2.256 946 Q HA 0.311 4.651 4.340 0.000 0.000 0.254 946 Q C -1.550 174.440 176.000 -0.018 0.000 0.916 946 Q CA -0.237 55.554 55.803 -0.019 0.000 0.932 946 Q CB 1.069 29.798 28.738 -0.015 0.000 1.207 946 Q HN 0.376 nan 8.270 nan 0.000 0.426 947 D N 3.316 123.706 120.400 -0.017 0.000 2.386 947 D HA 0.517 5.157 4.640 0.000 0.000 0.247 947 D C 0.258 176.550 176.300 -0.014 0.000 1.336 947 D CA 0.772 54.763 54.000 -0.015 0.000 0.976 947 D CB 0.384 41.174 40.800 -0.017 0.000 1.257 947 D HN 0.715 nan 8.370 nan 0.000 0.570 948 G N 3.071 111.864 108.800 -0.011 0.000 2.591 948 G HA2 -0.232 3.728 3.960 0.000 0.000 0.298 948 G HA3 -0.232 3.728 3.960 0.000 0.000 0.298 948 G C 0.878 175.771 174.900 -0.011 0.000 1.195 948 G CA 0.093 45.187 45.100 -0.010 0.000 0.989 948 G HN 1.064 nan 8.290 nan 0.000 0.551 949 G N -0.127 108.666 108.800 -0.012 0.000 3.702 949 G HA2 0.511 4.471 3.960 0.000 0.000 0.288 949 G HA3 0.511 4.471 3.960 0.000 0.000 0.288 949 G C 0.089 174.979 174.900 -0.018 0.000 1.193 949 G CA 1.208 46.300 45.100 -0.014 0.000 0.952 949 G HN 1.034 nan 8.290 nan 0.000 0.544 950 T N 0.181 114.724 114.554 -0.018 0.000 2.965 950 T HA 0.287 4.637 4.350 0.000 0.000 0.306 950 T C -0.884 173.804 174.700 -0.019 0.000 0.991 950 T CA -0.532 61.557 62.100 -0.019 0.000 1.001 950 T CB 2.136 70.993 68.868 -0.018 0.000 0.984 950 T HN 0.306 nan 8.240 nan 0.000 0.446 951 E N 2.819 123.007 120.200 -0.021 0.000 2.046 951 E HA 0.325 4.675 4.350 0.000 0.000 0.279 951 E C -0.678 175.915 176.600 -0.013 0.000 0.989 951 E CA -0.450 55.938 56.400 -0.020 0.000 0.798 951 E CB 0.514 30.199 29.700 -0.025 0.000 1.086 951 E HN 0.369 nan 8.360 nan 0.000 0.399 952 T N 6.129 120.676 114.554 -0.013 0.000 2.733 952 T HA 0.348 4.698 4.350 0.000 0.000 0.294 952 T C 0.048 174.742 174.700 -0.010 0.000 0.956 952 T CA -0.314 61.784 62.100 -0.003 0.000 0.987 952 T CB 0.108 68.973 68.868 -0.005 0.000 0.920 952 T HN 0.422 nan 8.240 nan 0.000 0.470 953 I N 3.920 124.498 120.570 0.013 0.000 2.328 953 I HA 0.280 4.450 4.170 0.000 0.000 0.287 953 I C 0.272 176.416 176.117 0.046 0.000 1.012 953 I CA -0.569 60.736 61.300 0.008 0.000 1.195 953 I CB 1.262 39.292 38.000 0.051 0.000 1.350 953 I HN 0.498 nan 8.210 nan 0.000 0.464 954 T N 5.723 120.245 114.554 -0.053 0.000 2.797 954 T HA 0.519 4.869 4.350 0.000 0.000 0.279 954 T C -0.516 174.097 174.700 -0.146 0.000 0.991 954 T CA -0.401 61.688 62.100 -0.018 0.000 0.979 954 T CB 1.000 69.840 68.868 -0.047 0.000 0.943 954 T HN 0.104 nan 8.240 nan 0.000 0.444 955 F N 2.788 122.684 119.950 -0.091 0.000 2.411 955 F HA 0.499 5.026 4.527 0.000 0.000 0.352 955 F C 1.217 176.947 175.800 -0.117 0.000 1.123 955 F CA -0.568 57.349 58.000 -0.139 0.000 1.044 955 F CB 1.516 40.420 39.000 -0.160 0.000 1.135 955 F HN 0.636 nan 8.300 nan 0.000 0.461 956 T N 0.244 114.782 114.554 -0.027 0.000 2.883 956 T HA 0.754 5.104 4.350 0.000 0.000 0.284 956 T C -0.968 173.727 174.700 -0.008 0.000 1.041 956 T CA -1.068 61.021 62.100 -0.017 0.000 1.007 956 T CB 2.162 71.010 68.868 -0.034 0.000 1.220 956 T HN 0.605 nan 8.240 nan 0.000 0.552 957 N N -1.361 117.346 118.700 0.012 0.000 2.405 957 N HA 0.399 5.139 4.740 0.000 0.000 0.274 957 N C -0.570 174.978 175.510 0.063 0.000 1.170 957 N CA -0.791 52.289 53.050 0.050 0.000 0.848 957 N CB 1.460 40.001 38.487 0.091 0.000 1.629 957 N HN 0.352 nan 8.380 nan 0.000 0.481 958 D N -0.151 120.303 120.400 0.091 0.000 2.103 958 D HA 0.030 4.670 4.640 0.000 0.000 0.199 958 D C 0.555 176.898 176.300 0.071 0.000 0.978 958 D CA 1.256 55.322 54.000 0.109 0.000 0.829 958 D CB -0.170 40.744 40.800 0.189 0.000 0.981 958 D HN 0.748 nan 8.370 nan 0.000 0.464 959 C N -2.308 117.014 119.300 0.036 0.000 3.236 959 C HA 0.707 5.167 4.460 0.000 0.000 0.312 959 C C -0.985 174.024 174.990 0.032 0.000 1.374 959 C CA -1.190 57.809 59.018 -0.032 0.000 1.455 959 C CB 0.800 28.413 27.740 -0.211 0.000 1.834 959 C HN 0.251 nan 8.230 nan 0.000 0.460 960 Y N 0.516 120.742 120.300 -0.125 0.000 2.563 960 Y HA 0.476 5.026 4.550 0.000 0.000 0.351 960 Y C 0.617 176.457 175.900 -0.100 0.000 1.087 960 Y CA 0.085 58.128 58.100 -0.095 0.000 1.272 960 Y CB 0.496 38.919 38.460 -0.060 0.000 1.095 960 Y HN 0.900 nan 8.280 nan 0.000 0.620 961 E N 1.964 121.976 120.200 -0.313 0.000 2.526 961 E HA 0.131 4.481 4.350 0.000 0.000 0.208 961 E C -1.488 174.999 176.600 -0.187 0.000 0.997 961 E CA 0.224 56.489 56.400 -0.226 0.000 0.961 961 E CB 0.347 29.890 29.700 -0.261 0.000 1.030 961 E HN 0.482 nan 8.360 nan 0.000 0.483 962 Y N -0.293 119.730 120.300 -0.461 0.000 2.350 962 Y HA 0.492 5.042 4.550 0.000 0.000 0.338 962 Y C -1.097 174.496 175.900 -0.512 0.000 0.961 962 Y CA -1.282 56.603 58.100 -0.358 0.000 1.100 962 Y CB 1.290 39.596 38.460 -0.255 0.000 1.179 962 Y HN -0.307 nan 8.280 nan 0.000 0.454 963 V N 8.175 127.524 119.914 -0.942 0.000 2.353 963 V HA 0.106 4.226 4.120 0.000 0.000 0.264 963 V C -0.100 175.584 176.094 -0.684 0.000 1.049 963 V CA -0.607 61.349 62.300 -0.574 0.000 0.896 963 V CB -0.287 31.393 31.823 -0.239 0.000 1.025 963 V HN 0.734 nan 8.190 nan 0.000 0.475 964 F N 4.125 123.851 119.950 -0.374 0.000 2.590 964 F HA 0.353 4.880 4.527 0.000 0.000 0.389 964 F C 1.379 177.150 175.800 -0.049 0.000 1.049 964 F CA 0.457 58.400 58.000 -0.094 0.000 1.199 964 F CB 0.894 39.968 39.000 0.122 0.000 1.058 964 F HN 0.530 nan 8.300 nan 0.000 0.556 965 G N 3.997 112.506 108.800 -0.485 0.000 3.189 965 G HA2 0.414 4.374 3.960 0.000 0.000 0.225 965 G HA3 0.414 4.374 3.960 0.000 0.000 0.225 965 G C 0.351 175.121 174.900 -0.216 0.000 1.159 965 G CA 0.328 45.262 45.100 -0.278 0.000 0.763 965 G HN 1.018 nan 8.290 nan 0.000 0.549 966 G N -0.350 108.293 108.800 -0.262 0.000 2.798 966 G HA2 0.686 4.646 3.960 0.000 0.000 0.286 966 G HA3 0.686 4.646 3.960 0.000 0.000 0.286 966 G C -3.046 172.059 174.900 0.341 0.000 1.389 966 G CA -1.357 43.752 45.100 0.015 0.000 0.894 966 G HN -0.063 nan 8.290 nan 0.000 0.488 967 P HA 0.332 nan 4.420 nan 0.000 0.269 967 P C -1.056 176.431 177.300 0.312 0.000 1.215 967 P CA -0.016 63.182 63.100 0.163 0.000 0.780 967 P CB 0.708 32.397 31.700 -0.019 0.000 0.898 968 F N 0.236 120.132 119.950 -0.089 0.000 2.611 968 F HA 0.751 5.278 4.527 0.000 0.000 0.324 968 F C -1.370 174.317 175.800 -0.189 0.000 1.061 968 F CA -1.414 56.574 58.000 -0.020 0.000 0.954 968 F CB 1.146 40.144 39.000 -0.003 0.000 1.301 968 F HN 0.211 nan 8.300 nan 0.000 0.482 969 Y N 0.328 120.827 120.300 0.332 0.000 2.576 969 Y HA 0.738 5.288 4.550 0.000 0.000 0.346 969 Y C -0.957 175.179 175.900 0.393 0.000 1.018 969 Y CA -1.538 56.729 58.100 0.279 0.000 1.050 969 Y CB 2.364 41.104 38.460 0.467 0.000 1.280 969 Y HN 0.545 nan 8.280 nan 0.000 0.474 970 V N 2.271 122.436 119.914 0.418 0.000 2.531 970 V HA 0.510 4.630 4.120 0.000 0.000 0.301 970 V C -0.688 175.450 176.094 0.073 0.000 1.034 970 V CA -1.011 61.477 62.300 0.313 0.000 0.865 970 V CB 1.711 33.700 31.823 0.276 0.000 0.995 970 V HN 0.708 nan 8.190 nan 0.000 0.424 971 R N 3.622 124.033 120.500 -0.148 0.000 2.360 971 R HA 0.655 4.995 4.340 0.000 0.000 0.318 971 R C -1.675 174.427 176.300 -0.329 0.000 0.950 971 R CA -0.390 55.390 56.100 -0.534 0.000 0.837 971 R CB 1.773 31.433 30.300 -1.066 0.000 1.165 971 R HN 0.555 nan 8.270 nan 0.000 0.458 972 V N 6.333 126.097 119.914 -0.251 0.000 2.304 972 V HA 0.323 4.443 4.120 0.000 0.000 0.269 972 V C 0.501 176.490 176.094 -0.174 0.000 1.036 972 V CA -0.865 61.334 62.300 -0.169 0.000 0.840 972 V CB 0.826 32.592 31.823 -0.095 0.000 1.036 972 V HN 0.641 nan 8.190 nan 0.000 0.466 973 R N 3.298 123.676 120.500 -0.204 0.000 2.537 973 R HA 0.181 4.521 4.340 0.000 0.000 0.281 973 R C 1.436 177.676 176.300 -0.099 0.000 0.988 973 R CA 0.970 56.975 56.100 -0.159 0.000 1.077 973 R CB 0.003 30.180 30.300 -0.205 0.000 0.932 973 R HN 1.149 nan 8.270 nan 0.000 0.409 974 G N 0.803 109.565 108.800 -0.064 0.000 2.162 974 G HA2 -0.309 3.651 3.960 0.000 0.000 0.260 974 G HA3 -0.309 3.651 3.960 0.000 0.000 0.260 974 G C 0.134 175.013 174.900 -0.036 0.000 0.976 974 G CA 0.317 45.395 45.100 -0.036 0.000 0.655 974 G HN 0.880 nan 8.290 nan 0.000 0.533 975 A N -0.895 121.893 122.820 -0.053 0.000 2.312 975 A HA 0.880 5.200 4.320 0.000 0.000 0.328 975 A C 0.552 178.106 177.584 -0.051 0.000 1.158 975 A CA 0.040 52.047 52.037 -0.051 0.000 0.821 975 A CB 1.258 20.221 19.000 -0.062 0.000 1.170 975 A HN 0.181 nan 8.150 nan 0.000 0.490 976 Q N 0.213 119.988 119.800 -0.042 0.000 2.898 976 Q HA 0.328 4.668 4.340 0.000 0.000 0.212 976 Q C 0.006 175.993 176.000 -0.021 0.000 1.077 976 Q CA -0.031 55.751 55.803 -0.035 0.000 0.387 976 Q CB -0.084 28.640 28.738 -0.024 0.000 4.985 976 Q HN 0.639 nan 8.270 nan 0.000 0.324 977 S N 3.057 118.755 115.700 -0.003 0.000 2.411 977 S HA 0.425 4.895 4.470 0.000 0.000 0.294 977 S C -2.129 172.461 174.600 -0.017 0.000 1.115 977 S CA -1.013 57.203 58.200 0.026 0.000 1.071 977 S CB 0.489 63.719 63.200 0.050 0.000 0.967 977 S HN 0.140 nan 8.310 nan 0.000 0.488 978 P HA 0.453 nan 4.420 nan 0.000 0.280 978 P C 0.171 177.435 177.300 -0.059 0.000 1.272 978 P CA -0.629 62.399 63.100 -0.119 0.000 0.819 978 P CB 1.087 32.623 31.700 -0.274 0.000 1.122 979 S N -0.716 114.957 115.700 -0.044 0.000 2.404 979 S HA 0.021 4.492 4.470 0.000 0.000 0.223 979 S C 0.779 175.384 174.600 0.008 0.000 1.040 979 S CA 0.363 58.562 58.200 -0.002 0.000 0.957 979 S CB -0.262 62.937 63.200 -0.001 0.000 0.826 979 S HN 0.727 nan 8.310 nan 0.000 0.491 980 N N 0.475 119.158 118.700 -0.028 0.000 2.752 980 N HA 0.197 4.937 4.740 0.000 0.000 0.268 980 N C -1.954 173.541 175.510 -0.025 0.000 1.190 980 N CA -0.134 52.918 53.050 0.003 0.000 0.897 980 N CB 0.763 39.269 38.487 0.032 0.000 1.515 980 N HN 0.086 nan 8.380 nan 0.000 0.567 981 I N 2.721 123.254 120.570 -0.061 0.000 2.342 981 I HA 0.211 4.381 4.170 0.000 0.000 0.291 981 I C -0.064 176.093 176.117 0.067 0.000 1.010 981 I CA -0.561 60.710 61.300 -0.048 0.000 1.308 981 I CB 0.912 38.809 38.000 -0.172 0.000 1.400 981 I HN 0.482 nan 8.210 nan 0.000 0.488 982 H N 5.358 124.418 119.070 -0.017 0.000 2.489 982 H HA 0.591 5.147 4.556 0.000 0.000 0.343 982 H C -1.435 173.893 175.328 0.001 0.000 1.086 982 H CA -0.541 55.508 56.048 0.000 0.000 1.198 982 H CB 1.717 31.479 29.762 -0.001 0.000 1.490 982 H HN 0.287 nan 8.280 nan 0.000 0.504 983 V N 4.749 124.401 119.914 -0.438 0.000 2.326 983 V HA 0.224 4.345 4.120 0.000 0.000 0.281 983 V C -0.030 175.885 176.094 -0.299 0.000 1.015 983 V CA -0.654 61.496 62.300 -0.250 0.000 0.823 983 V CB 1.036 32.759 31.823 -0.167 0.000 1.009 983 V HN 0.843 nan 8.190 nan 0.000 0.436 984 S N 4.092 119.735 115.700 -0.096 0.000 2.513 984 S HA 0.690 5.160 4.470 0.000 0.000 0.276 984 S C -0.189 174.401 174.600 -0.018 0.000 1.254 984 S CA -0.088 58.105 58.200 -0.012 0.000 1.053 984 S CB 1.002 64.260 63.200 0.097 0.000 0.958 984 S HN 0.944 nan 8.310 nan 0.000 0.491 985 S N 2.797 118.482 115.700 -0.025 0.000 2.535 985 S HA 0.536 5.006 4.470 0.000 0.000 0.272 985 S C 0.966 175.553 174.600 -0.022 0.000 1.149 985 S CA -0.117 58.067 58.200 -0.027 0.000 0.888 985 S CB 0.823 63.997 63.200 -0.044 0.000 1.110 985 S HN 0.920 nan 8.310 nan 0.000 0.463 986 G N 1.985 110.771 108.800 -0.024 0.000 2.462 986 G HA2 0.030 3.990 3.960 0.000 0.000 0.220 986 G HA3 0.030 3.990 3.960 0.000 0.000 0.220 986 G C 1.174 176.059 174.900 -0.024 0.000 1.121 986 G CA 0.867 45.954 45.100 -0.021 0.000 0.758 986 G HN 1.198 nan 8.290 nan 0.000 0.559 987 A N -0.421 122.380 122.820 -0.032 0.000 2.278 987 A HA 0.558 4.878 4.320 0.000 0.000 0.212 987 A C 1.120 178.688 177.584 -0.026 0.000 1.213 987 A CA 0.933 52.952 52.037 -0.029 0.000 0.840 987 A CB -0.343 18.636 19.000 -0.035 0.000 0.866 987 A HN 1.600 nan 8.150 nan 0.000 0.489 988 G N -0.860 107.924 108.800 -0.027 0.000 3.160 988 G HA2 0.196 4.156 3.960 0.000 0.000 0.573 988 G HA3 0.196 4.156 3.960 0.000 0.000 0.573 988 G C -0.327 174.547 174.900 -0.043 0.000 1.286 988 G CA -0.113 44.971 45.100 -0.027 0.000 1.151 988 G HN 0.641 nan 8.290 nan 0.000 0.555 989 S N 0.650 116.327 115.700 -0.038 0.000 2.585 989 S HA 0.698 5.168 4.470 0.000 0.000 0.273 989 S C 0.147 174.683 174.600 -0.108 0.000 1.339 989 S CA 0.508 58.664 58.200 -0.073 0.000 1.028 989 S CB 1.366 64.564 63.200 -0.004 0.000 0.906 989 S HN 0.995 nan 8.310 nan 0.000 0.528 990 Q N 1.715 121.374 119.800 -0.235 0.000 2.438 990 Q HA 0.246 4.586 4.340 0.000 0.000 0.272 990 Q C -2.206 173.630 176.000 -0.274 0.000 0.994 990 Q CA -0.745 54.949 55.803 -0.182 0.000 0.887 990 Q CB 1.305 29.968 28.738 -0.125 0.000 1.432 990 Q HN 0.576 nan 8.270 nan 0.000 0.392 991 D N 2.949 123.297 120.400 -0.086 0.000 2.210 991 D HA 0.406 5.046 4.640 0.000 0.000 0.249 991 D C -0.207 176.114 176.300 0.035 0.000 1.062 991 D CA 0.081 54.088 54.000 0.011 0.000 0.891 991 D CB 1.097 41.956 40.800 0.098 0.000 1.186 991 D HN 0.465 nan 8.370 nan 0.000 0.432 992 M N 1.518 121.172 119.600 0.091 0.000 2.342 992 M HA 0.317 4.797 4.480 0.000 0.000 0.332 992 M C 0.277 176.757 176.300 0.300 0.000 1.166 992 M CA -0.510 54.902 55.300 0.185 0.000 1.086 992 M CB 1.342 34.089 32.600 0.245 0.000 1.541 992 M HN 0.178 nan 8.290 nan 0.000 0.462 993 K N 0.435 120.974 120.400 0.232 0.000 2.435 993 K HA 0.616 4.936 4.320 0.000 0.000 0.251 993 K C -1.062 175.283 176.600 -0.425 0.000 0.954 993 K CA -1.020 55.313 56.287 0.076 0.000 0.820 993 K CB 2.054 34.559 32.500 0.008 0.000 1.292 993 K HN 0.446 nan 8.250 nan 0.000 0.436 994 V N 1.710 121.210 119.914 -0.690 0.000 2.673 994 V HA 0.023 4.143 4.120 0.000 0.000 0.303 994 V C -0.218 175.591 176.094 -0.476 0.000 1.046 994 V CA 0.370 62.044 62.300 -1.044 0.000 1.126 994 V CB 1.181 32.697 31.823 -0.513 0.000 0.934 994 V HN 0.896 nan 8.190 nan 0.000 0.487 995 S N 3.859 119.324 115.700 -0.392 0.000 2.562 995 S HA 0.242 4.712 4.470 0.000 0.000 0.275 995 S C 1.162 175.687 174.600 -0.126 0.000 1.281 995 S CA -0.077 58.013 58.200 -0.183 0.000 1.045 995 S CB 1.287 64.421 63.200 -0.110 0.000 0.962 995 S HN 1.081 nan 8.310 nan 0.000 0.503 996 S N 3.124 118.760 115.700 -0.107 0.000 2.660 996 S HA 0.226 4.696 4.470 0.000 0.000 0.223 996 S C 0.595 175.125 174.600 -0.118 0.000 0.963 996 S CA -0.054 58.092 58.200 -0.090 0.000 0.932 996 S CB -0.307 62.849 63.200 -0.073 0.000 0.775 996 S HN 0.838 nan 8.310 nan 0.000 0.531 997 A N 2.193 124.917 122.820 -0.160 0.000 2.309 997 A HA 0.532 4.853 4.320 0.000 0.000 0.290 997 A C 0.898 178.248 177.584 -0.390 0.000 1.206 997 A CA -0.464 51.411 52.037 -0.270 0.000 0.850 997 A CB 0.192 19.011 19.000 -0.302 0.000 1.118 997 A HN 0.395 nan 8.150 nan 0.000 0.523 998 T N -0.808 113.503 114.554 -0.404 0.000 3.296 998 T HA 0.434 4.784 4.350 0.000 0.000 0.285 998 T C 0.280 174.672 174.700 -0.513 0.000 1.014 998 T CA 0.263 62.157 62.100 -0.344 0.000 0.920 998 T CB -0.832 68.011 68.868 -0.040 0.000 1.143 998 T HN 0.999 nan 8.240 nan 0.000 0.522 999 S N -0.319 114.818 115.700 -0.939 0.000 2.697 999 S HA 0.593 5.063 4.470 0.000 0.000 0.289 999 S C 0.747 174.358 174.600 -1.648 0.000 1.149 999 S CA -1.184 56.390 58.200 -1.042 0.000 0.850 999 S CB 2.626 65.507 63.200 -0.532 0.000 1.151 999 S HN 0.113 nan 8.310 nan 0.000 0.491 1000 R N 0.130 119.763 120.500 -1.446 0.000 2.062 1000 R HA -0.018 4.322 4.340 0.000 0.000 0.231 1000 R C 2.311 177.855 176.300 -1.261 0.000 1.136 1000 R CA 1.617 56.820 56.100 -1.495 0.000 0.948 1000 R CB -1.075 28.538 30.300 -1.144 0.000 0.845 1000 R HN 0.832 nan 8.270 nan 0.000 0.430 1001 A N 0.769 123.114 122.820 -0.793 0.000 1.940 1001 A HA -0.129 4.191 4.320 0.000 0.000 0.219 1001 A C 2.318 179.669 177.584 -0.390 0.000 1.176 1001 A CA 1.756 53.508 52.037 -0.476 0.000 0.631 1001 A CB -0.687 18.147 19.000 -0.277 0.000 0.814 1001 A HN 0.559 nan 8.150 nan 0.000 0.446 1002 A N -0.756 121.784 122.820 -0.466 0.000 1.933 1002 A HA 0.005 4.325 4.320 0.000 0.000 0.218 1002 A C 2.116 179.502 177.584 -0.329 0.000 1.175 1002 A CA 1.660 53.482 52.037 -0.358 0.000 0.628 1002 A CB -0.471 18.293 19.000 -0.393 0.000 0.814 1002 A HN 0.675 nan 8.150 nan 0.000 0.444 1003 L N -1.879 119.046 121.223 -0.496 0.000 2.131 1003 L HA 0.072 4.412 4.340 0.000 0.000 0.206 1003 L C 2.033 178.895 176.870 -0.013 0.000 1.087 1003 L CA 1.538 56.187 54.840 -0.318 0.000 0.767 1003 L CB -0.495 41.271 42.059 -0.489 0.000 0.917 1003 L HN 0.290 nan 8.230 nan 0.000 0.441 1004 F N 0.323 120.162 119.950 -0.185 0.000 2.113 1004 F HA -0.125 4.402 4.527 0.000 0.000 0.297 1004 F C 2.478 178.285 175.800 0.013 0.000 1.103 1004 F CA 1.314 59.277 58.000 -0.061 0.000 1.248 1004 F CB -1.206 37.699 39.000 -0.157 0.000 0.999 1004 F HN 0.258 nan 8.300 nan 0.000 0.475 1005 N N -0.607 118.176 118.700 0.138 0.000 2.368 1005 N HA -0.088 4.653 4.740 0.000 0.000 0.176 1005 N C 0.709 176.236 175.510 0.029 0.000 1.021 1005 N CA 1.198 54.288 53.050 0.067 0.000 0.888 1005 N CB 0.122 38.619 38.487 0.016 0.000 0.995 1005 N HN 0.287 nan 8.380 nan 0.000 0.437 1006 D N -0.066 120.331 120.400 -0.006 0.000 2.479 1006 D HA 0.075 4.715 4.640 0.000 0.000 0.221 1006 D C 0.987 177.276 176.300 -0.019 0.000 1.104 1006 D CA 0.055 54.040 54.000 -0.025 0.000 0.849 1006 D CB 0.539 41.302 40.800 -0.062 0.000 1.072 1006 D HN 0.028 nan 8.370 nan 0.000 0.502 1007 G N 1.230 110.027 108.800 -0.006 0.000 2.554 1007 G HA2 0.153 4.113 3.960 0.000 0.000 0.238 1007 G HA3 0.153 4.113 3.960 0.000 0.000 0.238 1007 G C 0.037 174.955 174.900 0.030 0.000 1.259 1007 G CA -0.177 44.928 45.100 0.008 0.000 0.843 1007 G HN -0.032 nan 8.290 nan 0.000 0.582 1008 E N 0.635 120.839 120.200 0.008 0.000 2.283 1008 E HA 0.110 4.460 4.350 0.000 0.000 0.271 1008 E C -0.389 176.208 176.600 -0.005 0.000 1.031 1008 E CA -0.791 55.609 56.400 -0.000 0.000 0.868 1008 E CB 0.867 30.558 29.700 -0.015 0.000 1.094 1008 E HN 0.337 nan 8.360 nan 0.000 0.401 1009 N N 1.268 119.954 118.700 -0.023 0.000 2.429 1009 N HA 0.131 4.871 4.740 0.000 0.000 0.271 1009 N C 0.529 176.009 175.510 -0.051 0.000 1.272 1009 N CA 0.731 53.746 53.050 -0.058 0.000 0.921 1009 N CB 0.850 39.301 38.487 -0.060 0.000 1.128 1009 N HN 0.840 nan 8.380 nan 0.000 0.481 1010 G N 1.383 110.152 108.800 -0.051 0.000 2.205 1010 G HA2 -0.193 3.767 3.960 0.000 0.000 0.180 1010 G HA3 -0.193 3.767 3.960 0.000 0.000 0.180 1010 G C -0.264 174.663 174.900 0.046 0.000 1.004 1010 G CA -0.526 44.565 45.100 -0.015 0.000 0.670 1010 G HN 0.486 nan 8.290 nan 0.000 0.496 1011 D N -0.037 120.392 120.400 0.047 0.000 2.387 1011 D HA 0.744 5.384 4.640 0.000 0.000 0.251 1011 D C 0.212 176.638 176.300 0.211 0.000 1.141 1011 D CA 0.229 54.260 54.000 0.051 0.000 0.987 1011 D CB 0.908 41.719 40.800 0.018 0.000 1.116 1011 D HN 0.492 nan 8.370 nan 0.000 0.491 1012 F N -1.540 118.496 119.950 0.144 0.000 2.608 1012 F HA 0.554 5.081 4.527 0.000 0.000 0.309 1012 F C -1.766 174.205 175.800 0.284 0.000 1.103 1012 F CA -1.409 56.720 58.000 0.214 0.000 0.954 1012 F CB 1.054 40.146 39.000 0.152 0.000 1.267 1012 F HN 0.239 nan 8.300 nan 0.000 0.444 1013 W N 5.360 126.858 121.300 0.330 0.000 2.532 1013 W HA 0.704 5.364 4.660 0.000 0.000 0.321 1013 W C -1.811 174.887 176.519 0.298 0.000 1.037 1013 W CA -1.891 55.557 57.345 0.173 0.000 1.220 1013 W CB 1.812 31.265 29.460 -0.011 0.000 1.361 1013 W HN 0.541 nan 8.180 nan 0.000 0.468 1014 V N 7.037 126.907 119.914 -0.073 0.000 2.387 1014 V HA -0.011 4.109 4.120 0.000 0.000 0.260 1014 V C 0.082 175.569 176.094 -1.012 0.000 1.054 1014 V CA -0.013 62.111 62.300 -0.294 0.000 0.967 1014 V CB 0.310 32.116 31.823 -0.029 0.000 1.036 1014 V HN 0.420 nan 8.190 nan 0.000 0.481 1015 D N 4.511 124.221 120.400 -1.149 0.000 2.352 1015 D HA 0.168 4.808 4.640 0.000 0.000 0.245 1015 D C 0.840 176.859 176.300 -0.468 0.000 1.224 1015 D CA 0.071 53.277 54.000 -1.323 0.000 0.879 1015 D CB 1.303 41.531 40.800 -0.953 0.000 1.057 1015 D HN 0.593 nan 8.370 nan 0.000 0.491 1016 Q N 2.222 121.852 119.800 -0.283 0.000 2.356 1016 Q HA 0.038 4.378 4.340 0.000 0.000 0.205 1016 Q C 1.180 177.155 176.000 -0.042 0.000 0.901 1016 Q CA 0.062 55.801 55.803 -0.105 0.000 0.938 1016 Q CB 0.799 29.510 28.738 -0.046 0.000 1.081 1016 Q HN 0.578 nan 8.270 nan 0.000 0.517 1017 E N 0.683 120.869 120.200 -0.024 0.000 2.299 1017 E HA -0.080 4.270 4.350 0.000 0.000 0.193 1017 E C 1.022 177.634 176.600 0.020 0.000 0.998 1017 E CA 1.383 57.793 56.400 0.017 0.000 0.851 1017 E CB 0.514 30.247 29.700 0.055 0.000 0.795 1017 E HN 0.274 nan 8.360 nan 0.000 0.492 1018 T N -2.427 112.137 114.554 0.016 0.000 3.275 1018 T HA 0.065 4.415 4.350 0.000 0.000 0.298 1018 T C -0.136 174.587 174.700 0.038 0.000 0.988 1018 T CA 0.139 62.274 62.100 0.058 0.000 0.936 1018 T CB 0.169 69.114 68.868 0.128 0.000 1.159 1018 T HN 0.003 nan 8.240 nan 0.000 0.519 1019 D N 1.076 121.472 120.400 -0.007 0.000 2.904 1019 D HA -0.142 4.498 4.640 0.000 0.000 0.231 1019 D C -0.670 175.606 176.300 -0.040 0.000 1.185 1019 D CA 0.755 54.741 54.000 -0.022 0.000 0.783 1019 D CB -1.277 39.528 40.800 0.008 0.000 0.961 1019 D HN 0.558 nan 8.370 nan 0.000 0.409 1020 S N 0.024 115.682 115.700 -0.069 0.000 2.618 1020 S HA 0.775 5.245 4.470 0.000 0.000 0.277 1020 S C -1.107 173.448 174.600 -0.075 0.000 1.138 1020 S CA -0.892 57.257 58.200 -0.085 0.000 0.844 1020 S CB 2.072 65.233 63.200 -0.066 0.000 1.127 1020 S HN 0.363 nan 8.310 nan 0.000 0.474 1021 L N 1.659 122.835 121.223 -0.078 0.000 2.406 1021 L HA 0.679 5.019 4.340 0.000 0.000 0.270 1021 L C -2.233 174.698 176.870 0.102 0.000 0.982 1021 L CA -0.118 54.745 54.840 0.038 0.000 0.843 1021 L CB 0.582 42.632 42.059 -0.014 0.000 1.225 1021 L HN 0.702 nan 8.230 nan 0.000 0.412 1022 W N 6.014 127.391 121.300 0.128 0.000 2.390 1022 W HA 0.616 5.277 4.660 0.000 0.000 0.312 1022 W C -1.020 175.699 176.519 0.333 0.000 1.123 1022 W CA -0.437 57.069 57.345 0.268 0.000 1.202 1022 W CB 1.288 30.969 29.460 0.369 0.000 1.251 1022 W HN 0.235 nan 8.180 nan 0.000 0.511 1023 L N 3.659 125.168 121.223 0.476 0.000 2.298 1023 L HA 0.328 4.668 4.340 0.000 0.000 0.284 1023 L C 0.071 177.089 176.870 0.246 0.000 1.013 1023 L CA -1.124 53.915 54.840 0.331 0.000 0.824 1023 L CB 1.331 43.484 42.059 0.157 0.000 1.221 1023 L HN 0.282 nan 8.230 nan 0.000 0.418 1024 K N 4.368 124.874 120.400 0.176 0.000 2.267 1024 K HA 0.667 4.987 4.320 0.000 0.000 0.282 1024 K C -1.271 175.147 176.600 -0.303 0.000 1.078 1024 K CA -0.294 55.908 56.287 -0.142 0.000 0.903 1024 K CB 0.415 32.949 32.500 0.056 0.000 1.111 1024 K HN 0.530 nan 8.250 nan 0.000 0.475 1025 L N 6.565 127.426 121.223 -0.603 0.000 2.354 1025 L HA 0.575 4.915 4.340 0.000 0.000 0.269 1025 L C -2.148 174.424 176.870 -0.497 0.000 1.005 1025 L CA -2.485 51.984 54.840 -0.618 0.000 0.819 1025 L CB 1.945 43.369 42.059 -1.059 0.000 1.311 1025 L HN 0.623 nan 8.230 nan 0.000 0.423 1026 P HA 0.084 nan 4.420 nan 0.000 0.274 1026 P C -0.148 177.213 177.300 0.102 0.000 1.231 1026 P CA -0.375 62.688 63.100 -0.062 0.000 0.790 1026 P CB 0.638 32.313 31.700 -0.042 0.000 0.951 1027 N N 1.785 120.600 118.700 0.192 0.000 2.223 1027 N HA -0.131 4.609 4.740 0.000 0.000 0.185 1027 N C 1.245 176.864 175.510 0.181 0.000 1.016 1027 N CA 1.969 55.203 53.050 0.308 0.000 0.863 1027 N CB -1.690 36.963 38.487 0.277 0.000 0.983 1027 N HN 0.275 nan 8.380 nan 0.000 0.429 1028 V N -0.551 119.417 119.914 0.089 0.000 3.078 1028 V HA -0.049 4.071 4.120 0.000 0.000 0.265 1028 V C 2.272 178.349 176.094 -0.028 0.000 1.122 1028 V CA 1.323 63.633 62.300 0.017 0.000 1.141 1028 V CB -1.149 30.675 31.823 0.003 0.000 0.735 1028 V HN 0.309 nan 8.190 nan 0.000 0.498 1029 V N -3.195 116.733 119.914 0.022 0.000 3.650 1029 V HA 0.210 4.330 4.120 0.000 0.000 0.271 1029 V C 2.128 178.179 176.094 -0.071 0.000 1.281 1029 V CA 0.868 63.159 62.300 -0.014 0.000 1.120 1029 V CB 0.087 31.902 31.823 -0.013 0.000 0.856 1029 V HN 0.402 nan 8.190 nan 0.000 0.443 1030 L N 1.729 122.871 121.223 -0.135 0.000 2.043 1030 L HA 0.039 4.379 4.340 0.000 0.000 0.212 1030 L C -0.120 176.482 176.870 -0.447 0.000 1.075 1030 L CA 2.615 57.129 54.840 -0.543 0.000 0.752 1030 L CB -1.440 40.235 42.059 -0.639 0.000 0.891 1030 L HN 0.320 nan 8.230 nan 0.000 0.432 1031 P HA -0.044 nan 4.420 nan 0.000 0.225 1031 P C -0.092 177.097 177.300 -0.184 0.000 1.156 1031 P CA 1.448 64.259 63.100 -0.482 0.000 0.787 1031 P CB -0.041 31.257 31.700 -0.671 0.000 0.802 1032 D N -3.115 117.211 120.400 -0.123 0.000 2.563 1032 D HA 0.175 4.815 4.640 0.000 0.000 0.256 1032 D C 0.071 176.382 176.300 0.018 0.000 1.400 1032 D CA -0.544 53.434 54.000 -0.036 0.000 0.800 1032 D CB -0.831 39.939 40.800 -0.051 0.000 1.145 1032 D HN -0.079 nan 8.370 nan 0.000 0.501 1033 A N 0.679 123.522 122.820 0.038 0.000 2.491 1033 A HA 0.490 4.810 4.320 0.000 0.000 0.261 1033 A C 0.080 177.746 177.584 0.137 0.000 1.101 1033 A CA -0.182 51.886 52.037 0.050 0.000 0.772 1033 A CB 0.366 19.350 19.000 -0.027 0.000 1.043 1033 A HN 0.161 nan 8.150 nan 0.000 0.501 1034 V N 5.115 125.079 119.914 0.083 0.000 2.370 1034 V HA 0.363 4.483 4.120 0.000 0.000 0.283 1034 V C -0.053 176.094 176.094 0.087 0.000 1.023 1034 V CA -0.067 62.287 62.300 0.091 0.000 0.857 1034 V CB 0.957 32.819 31.823 0.066 0.000 0.985 1034 V HN 0.706 nan 8.190 nan 0.000 0.443 1035 I N 4.686 125.315 120.570 0.099 0.000 2.389 1035 I HA 0.478 4.648 4.170 0.000 0.000 0.288 1035 I C 0.019 176.176 176.117 0.067 0.000 0.999 1035 I CA -0.326 61.021 61.300 0.079 0.000 1.129 1035 I CB 2.268 40.323 38.000 0.092 0.000 1.288 1035 I HN 0.660 nan 8.210 nan 0.000 0.444 1036 T N 4.290 118.888 114.554 0.075 0.000 2.809 1036 T HA 0.644 4.994 4.350 0.000 0.000 0.296 1036 T C -0.478 174.236 174.700 0.022 0.000 1.015 1036 T CA -0.529 61.599 62.100 0.048 0.000 0.954 1036 T CB 0.765 69.663 68.868 0.050 0.000 0.950 1036 T HN 0.288 nan 8.240 nan 0.000 0.450 1037 I N 3.921 124.485 120.570 -0.010 0.000 2.297 1037 I HA 0.379 4.549 4.170 0.000 0.000 0.291 1037 I C 1.026 177.119 176.117 -0.041 0.000 1.033 1037 I CA -0.423 60.849 61.300 -0.045 0.000 1.253 1037 I CB 1.288 39.250 38.000 -0.064 0.000 1.396 1037 I HN 0.801 nan 8.210 nan 0.000 0.476 1038 T N 0.000 114.528 114.554 -0.044 0.000 3.816 1038 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1038 T CA 0.000 62.079 62.100 -0.035 0.000 1.349 1038 T CB 0.000 68.853 68.868 -0.025 0.000 0.612 1038 T HN 0.000 nan 8.240 nan 0.000 0.658