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_C 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 0.000 174.673 174.700 -0.045 0.000 1.109 14 T CA 0.000 62.082 62.100 -0.030 0.000 1.349 14 T CB 0.000 68.851 68.868 -0.029 0.000 0.612 15 D N 2.200 122.581 120.400 -0.032 0.000 2.357 15 D HA 0.349 4.989 4.640 -0.000 0.000 0.242 15 D C 0.761 177.051 176.300 -0.017 0.000 1.153 15 D CA 0.224 54.206 54.000 -0.030 0.000 0.918 15 D CB 0.175 40.967 40.800 -0.013 0.000 1.181 15 D HN 0.383 nan 8.370 nan 0.000 0.435 16 N N 0.459 119.160 118.700 0.001 0.000 2.642 16 N HA -0.136 4.604 4.740 -0.000 0.000 0.269 16 N C -1.774 173.724 175.510 -0.020 0.000 1.073 16 N CA 0.120 53.201 53.050 0.052 0.000 0.748 16 N CB -0.184 38.388 38.487 0.142 0.000 0.894 16 N HN 0.260 nan 8.380 nan 0.000 0.548 17 P HA 0.017 nan 4.420 nan 0.000 0.224 17 P C 0.271 177.528 177.300 -0.073 0.000 1.157 17 P CA 0.778 63.799 63.100 -0.132 0.000 0.799 17 P CB 0.251 31.772 31.700 -0.298 0.000 0.809 18 D N 0.037 120.406 120.400 -0.053 0.000 2.363 18 D HA 0.085 4.724 4.640 -0.000 0.000 0.226 18 D C 1.362 177.644 176.300 -0.031 0.000 1.020 18 D CA 0.848 54.839 54.000 -0.016 0.000 0.892 18 D CB -0.705 40.103 40.800 0.013 0.000 0.900 18 D HN 0.194 nan 8.370 nan 0.000 0.531 19 G N 1.504 110.290 108.800 -0.024 0.000 2.305 19 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.287 19 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.287 19 G C 0.350 175.208 174.900 -0.071 0.000 1.036 19 G CA -0.216 44.868 45.100 -0.027 0.000 0.887 19 G HN 0.311 nan 8.290 nan 0.000 0.505 20 I N 0.103 120.595 120.570 -0.130 0.000 2.529 20 I HA 0.190 4.359 4.170 -0.000 0.000 0.284 20 I C 0.258 176.144 176.117 -0.385 0.000 1.082 20 I CA -0.390 60.710 61.300 -0.333 0.000 1.406 20 I CB 1.070 38.693 38.000 -0.628 0.000 1.405 20 I HN 0.064 nan 8.210 nan 0.000 0.548 21 D N 6.264 126.480 120.400 -0.306 0.000 2.313 21 D HA 0.222 4.861 4.640 -0.000 0.000 0.239 21 D C -1.018 175.143 176.300 -0.232 0.000 1.142 21 D CA -0.215 53.681 54.000 -0.174 0.000 0.847 21 D CB 0.337 41.083 40.800 -0.090 0.000 1.082 21 D HN 0.162 nan 8.370 nan 0.000 0.480 22 Y N 3.456 123.787 120.300 0.052 0.000 2.350 22 Y HA 0.238 4.788 4.550 -0.000 0.000 0.340 22 Y C 1.601 177.420 175.900 -0.135 0.000 1.006 22 Y CA -0.477 57.627 58.100 0.007 0.000 1.166 22 Y CB 1.471 39.883 38.460 -0.079 0.000 1.168 22 Y HN 0.196 nan 8.280 nan 0.000 0.502 23 K N 1.100 121.497 120.400 -0.006 0.000 2.214 23 K HA 0.160 4.480 4.320 -0.000 0.000 0.201 23 K C 0.039 176.611 176.600 -0.047 0.000 1.049 23 K CA 0.623 56.887 56.287 -0.039 0.000 0.978 23 K CB 0.304 32.765 32.500 -0.066 0.000 0.842 23 K HN 0.504 nan 8.250 nan 0.000 0.474 24 T N 0.672 115.194 114.554 -0.053 0.000 2.823 24 T HA 0.370 4.720 4.350 -0.000 0.000 0.279 24 T C 0.034 174.714 174.700 -0.032 0.000 0.998 24 T CA -0.485 61.626 62.100 0.018 0.000 0.994 24 T CB 1.069 69.975 68.868 0.063 0.000 0.960 24 T HN 0.014 nan 8.240 nan 0.000 0.448 25 Y N -0.408 120.048 120.300 0.261 0.000 2.467 25 Y HA 0.253 4.803 4.550 -0.000 0.000 0.259 25 Y C 1.085 177.136 175.900 0.251 0.000 1.084 25 Y CA -0.540 57.711 58.100 0.252 0.000 1.275 25 Y CB 0.505 39.114 38.460 0.250 0.000 1.208 25 Y HN 0.527 nan 8.280 nan 0.000 0.511 26 D N -0.324 120.301 120.400 0.375 0.000 2.354 26 D HA -0.022 4.618 4.640 -0.000 0.000 0.247 26 D C -0.478 175.763 176.300 -0.099 0.000 1.138 26 D CA -0.288 53.893 54.000 0.302 0.000 0.958 26 D CB 0.650 41.723 40.800 0.454 0.000 1.144 26 D HN -0.032 nan 8.370 nan 0.000 0.458 27 Y N 0.848 120.596 120.300 -0.919 0.000 2.811 27 Y HA 0.083 4.633 4.550 -0.000 0.000 0.334 27 Y C -0.600 174.876 175.900 -0.707 0.000 1.247 27 Y CA 0.170 57.457 58.100 -1.354 0.000 1.526 27 Y CB 0.281 37.276 38.460 -2.441 0.000 1.284 27 Y HN -0.060 nan 8.280 nan 0.000 0.586 28 V N 7.469 126.780 119.914 -1.005 0.000 2.447 28 V HA 0.447 4.566 4.120 -0.000 0.000 0.292 28 V C 0.610 175.984 176.094 -1.200 0.000 1.021 28 V CA -0.493 61.329 62.300 -0.797 0.000 0.850 28 V CB 0.981 32.638 31.823 -0.277 0.000 1.005 28 V HN 1.107 nan 8.190 nan 0.000 0.426 29 G N 2.268 110.046 108.800 -1.703 0.000 2.653 29 G HA2 0.369 4.328 3.960 -0.000 0.000 0.265 29 G HA3 0.369 4.328 3.960 -0.000 0.000 0.265 29 G C 1.320 175.213 174.900 -1.678 0.000 1.237 29 G CA 0.202 43.957 45.100 -2.242 0.000 0.946 29 G HN 0.962 nan 8.290 nan 0.000 0.522 30 V N -2.832 116.232 119.914 -1.416 0.000 2.515 30 V HA -0.116 4.003 4.120 -0.000 0.000 0.250 30 V C 2.237 178.049 176.094 -0.469 0.000 1.058 30 V CA 1.959 63.916 62.300 -0.571 0.000 1.064 30 V CB -1.424 30.305 31.823 -0.157 0.000 0.675 30 V HN 0.902 nan 8.190 nan 0.000 0.461 31 W N 2.279 123.249 121.300 -0.549 0.000 2.421 31 W HA 0.247 4.906 4.660 -0.001 0.000 0.270 31 W C 1.953 178.342 176.519 -0.218 0.000 1.233 31 W CA 0.740 57.770 57.345 -0.526 0.000 1.226 31 W CB -1.311 27.477 29.460 -1.121 0.000 1.121 31 W HN 0.245 nan 8.180 nan 0.000 0.579 32 G N -1.057 107.516 108.800 -0.378 0.000 3.337 32 G HA2 0.186 4.145 3.960 -0.000 0.000 0.246 32 G HA3 0.186 4.145 3.960 -0.000 0.000 0.246 32 G C -0.955 173.871 174.900 -0.123 0.000 1.131 32 G CA -0.432 44.578 45.100 -0.149 0.000 0.773 32 G HN 0.151 nan 8.290 nan 0.000 0.544 33 F N 2.743 122.481 119.950 -0.353 0.000 2.500 33 F HA 0.503 5.030 4.527 -0.000 0.000 0.349 33 F C -0.155 175.513 175.800 -0.221 0.000 1.127 33 F CA -1.406 56.346 58.000 -0.412 0.000 0.998 33 F CB 1.898 40.325 39.000 -0.954 0.000 1.237 33 F HN -0.019 nan 8.300 nan 0.000 0.439 34 S N 5.921 121.265 115.700 -0.594 0.000 2.293 34 S HA 0.292 4.762 4.470 -0.000 0.000 0.154 34 S C -2.455 171.741 174.600 -0.673 0.000 1.602 34 S CA -1.047 56.892 58.200 -0.434 0.000 1.260 34 S CB 0.938 64.036 63.200 -0.171 0.000 1.270 34 S HN 0.363 nan 8.310 nan 0.000 0.416 35 P HA -0.041 nan 4.420 nan 0.000 0.216 35 P C 0.970 177.644 177.300 -1.043 0.000 1.150 35 P CA 0.844 62.992 63.100 -1.588 0.000 0.837 35 P CB -0.032 30.674 31.700 -1.657 0.000 0.786 36 L N -1.131 119.713 121.223 -0.632 0.000 2.675 36 L HA 0.081 4.420 4.340 -0.000 0.000 0.239 36 L C 1.759 178.483 176.870 -0.245 0.000 1.151 36 L CA 0.426 55.057 54.840 -0.348 0.000 0.905 36 L CB -0.733 41.224 42.059 -0.170 0.000 1.057 36 L HN -0.055 nan 8.230 nan 0.000 0.435 37 S N -0.159 115.375 115.700 -0.276 0.000 2.501 37 S HA 0.007 4.477 4.470 -0.000 0.000 0.220 37 S C 1.020 175.550 174.600 -0.116 0.000 0.997 37 S CA 0.092 58.204 58.200 -0.147 0.000 0.919 37 S CB 0.060 63.200 63.200 -0.100 0.000 0.778 37 S HN 0.570 nan 8.310 nan 0.000 0.523 38 N N 0.283 118.876 118.700 -0.178 0.000 2.805 38 N HA -0.151 4.589 4.740 -0.000 0.000 0.216 38 N C 0.349 175.900 175.510 0.068 0.000 0.930 38 N CA 2.054 55.054 53.050 -0.083 0.000 1.376 38 N CB -2.000 36.440 38.487 -0.078 0.000 0.939 38 N HN 0.629 nan 8.380 nan 0.000 0.583 39 T N -0.159 114.428 114.554 0.055 0.000 2.870 39 T HA 0.377 4.727 4.350 -0.000 0.000 0.300 39 T C 0.868 175.553 174.700 -0.026 0.000 0.989 39 T CA 0.412 62.502 62.100 -0.016 0.000 1.139 39 T CB 1.272 70.101 68.868 -0.066 0.000 0.920 39 T HN 0.341 nan 8.240 nan 0.000 0.537 40 N N 0.003 118.597 118.700 -0.176 0.000 2.936 40 N HA -0.143 4.597 4.740 -0.000 0.000 0.236 40 N C -0.899 174.401 175.510 -0.350 0.000 0.930 40 N CA 1.196 54.064 53.050 -0.303 0.000 0.966 40 N CB -1.405 36.834 38.487 -0.415 0.000 1.090 40 N HN 0.825 nan 8.380 nan 0.000 0.592 41 W N 0.642 121.788 121.300 -0.257 0.000 2.376 41 W HA 0.545 5.205 4.660 -0.000 0.000 0.322 41 W C 0.530 176.842 176.519 -0.346 0.000 1.160 41 W CA -0.348 56.849 57.345 -0.247 0.000 1.218 41 W CB 0.317 29.663 29.460 -0.191 0.000 1.205 41 W HN -0.117 nan 8.180 nan 0.000 0.559 42 F N 2.338 122.147 119.950 -0.234 0.000 2.404 42 F HA 0.614 5.141 4.527 -0.000 0.000 0.339 42 F C 0.639 176.412 175.800 -0.045 0.000 1.105 42 F CA -0.521 57.295 58.000 -0.305 0.000 1.087 42 F CB 0.859 39.276 39.000 -0.972 0.000 1.143 42 F HN 0.341 nan 8.300 nan 0.000 0.491 43 A N 2.135 125.146 122.820 0.318 0.000 2.423 43 A HA 0.832 5.151 4.320 -0.000 0.000 0.304 43 A C -0.951 176.823 177.584 0.317 0.000 1.104 43 A CA -0.790 51.451 52.037 0.340 0.000 0.757 43 A CB 0.841 19.952 19.000 0.185 0.000 1.313 43 A HN 0.932 nan 8.150 nan 0.000 0.423 44 A N -0.175 122.741 122.820 0.161 0.000 2.548 44 A HA 0.456 4.775 4.320 -0.000 0.000 0.247 44 A C 1.109 178.663 177.584 -0.050 0.000 1.067 44 A CA 0.636 52.558 52.037 -0.191 0.000 0.757 44 A CB -0.406 18.488 19.000 -0.177 0.000 0.996 44 A HN 1.845 nan 8.150 nan 0.000 0.504 45 G N 0.847 109.593 108.800 -0.090 0.000 2.692 45 G HA2 0.435 4.395 3.960 -0.000 0.000 0.201 45 G HA3 0.435 4.395 3.960 -0.000 0.000 0.201 45 G C 0.297 175.188 174.900 -0.014 0.000 1.063 45 G CA 0.908 46.000 45.100 -0.014 0.000 0.790 45 G HN 1.668 nan 8.290 nan 0.000 0.599 46 S N -0.925 114.744 115.700 -0.052 0.000 2.615 46 S HA 0.708 5.177 4.470 -0.000 0.000 0.268 46 S C -0.908 173.666 174.600 -0.043 0.000 1.146 46 S CA 0.137 58.328 58.200 -0.016 0.000 0.818 46 S CB 1.624 64.819 63.200 -0.008 0.000 1.111 46 S HN 1.127 nan 8.310 nan 0.000 0.465 47 S N -0.334 115.367 115.700 0.002 0.000 2.643 47 S HA 0.919 5.388 4.470 -0.000 0.000 0.270 47 S C -0.982 173.606 174.600 -0.020 0.000 1.166 47 S CA -0.361 57.832 58.200 -0.012 0.000 0.815 47 S CB 1.210 64.436 63.200 0.043 0.000 1.139 47 S HN 1.924 nan 8.310 nan 0.000 0.472 48 T N -1.718 112.802 114.554 -0.056 0.000 2.909 48 T HA 0.744 5.094 4.350 -0.000 0.000 0.299 48 T C -3.436 171.142 174.700 -0.204 0.000 1.073 48 T CA -2.093 59.935 62.100 -0.120 0.000 0.999 48 T CB 1.121 69.921 68.868 -0.113 0.000 1.098 48 T HN 0.398 nan 8.240 nan 0.000 0.477 49 P HA 0.268 nan 4.420 nan 0.000 0.264 49 P C 0.731 177.767 177.300 -0.441 0.000 1.183 49 P CA 0.165 62.706 63.100 -0.932 0.000 0.763 49 P CB 0.260 31.063 31.700 -1.495 0.000 0.807 50 G N 1.674 110.352 108.800 -0.203 0.000 3.695 50 G HA2 0.517 4.476 3.960 -0.000 0.000 0.277 50 G HA3 0.517 4.476 3.960 -0.000 0.000 0.277 50 G C 0.307 175.273 174.900 0.110 0.000 1.001 50 G CA 0.212 45.307 45.100 -0.008 0.000 0.837 50 G HN 0.902 nan 8.290 nan 0.000 0.492 51 G N -0.124 108.816 108.800 0.233 0.000 2.555 51 G HA2 0.054 4.013 3.960 -0.000 0.000 0.686 51 G HA3 0.054 4.013 3.960 -0.000 0.000 0.686 51 G C -1.055 174.056 174.900 0.351 0.000 1.275 51 G CA -0.710 44.564 45.100 0.290 0.000 0.871 51 G HN 0.624 nan 8.290 nan 0.000 0.603 52 I N 0.889 121.596 120.570 0.230 0.000 2.534 52 I HA 0.638 4.808 4.170 -0.000 0.000 0.288 52 I C 0.116 176.302 176.117 0.115 0.000 1.077 52 I CA -0.537 60.848 61.300 0.142 0.000 1.051 52 I CB 2.620 40.663 38.000 0.072 0.000 1.234 52 I HN 0.950 nan 8.210 nan 0.000 0.425 53 T N 0.407 115.025 114.554 0.107 0.000 2.921 53 T HA 0.475 4.824 4.350 -0.000 0.000 0.297 53 T C -0.279 174.480 174.700 0.099 0.000 1.013 53 T CA -0.544 61.611 62.100 0.090 0.000 0.990 53 T CB 2.254 71.166 68.868 0.075 0.000 1.023 53 T HN 0.707 nan 8.240 nan 0.000 0.447 54 D N 1.202 121.653 120.400 0.087 0.000 3.771 54 D HA -0.203 4.436 4.640 -0.000 0.000 0.145 54 D C -0.057 176.410 176.300 0.278 0.000 0.892 54 D CA 1.812 55.862 54.000 0.082 0.000 1.080 54 D CB -0.788 40.015 40.800 0.006 0.000 0.498 54 D HN 0.717 nan 8.370 nan 0.000 0.499 55 W N 1.506 122.801 121.300 -0.007 0.000 3.223 55 W HA 0.335 4.995 4.660 -0.000 0.000 0.389 55 W C 0.136 176.624 176.519 -0.051 0.000 1.118 55 W CA 0.139 57.464 57.345 -0.034 0.000 1.902 55 W CB -0.296 29.152 29.460 -0.019 0.000 1.094 55 W HN -0.046 nan 8.180 nan 0.000 0.666 56 T N 1.021 115.680 114.554 0.175 0.000 2.788 56 T HA 0.659 5.009 4.350 -0.000 0.000 0.296 56 T C 0.164 174.919 174.700 0.091 0.000 1.009 56 T CA -0.354 61.814 62.100 0.113 0.000 0.949 56 T CB 1.604 70.548 68.868 0.126 0.000 0.946 56 T HN -0.052 nan 8.240 nan 0.000 0.453 57 A N 3.258 126.107 122.820 0.049 0.000 2.327 57 A HA 0.702 5.022 4.320 -0.000 0.000 0.283 57 A C 0.427 178.130 177.584 0.197 0.000 1.127 57 A CA -0.540 51.541 52.037 0.073 0.000 0.810 57 A CB 0.438 19.364 19.000 -0.123 0.000 1.066 57 A HN 0.670 nan 8.150 nan 0.000 0.492 58 T N 2.996 117.725 114.554 0.291 0.000 2.823 58 T HA 0.586 4.935 4.350 -0.000 0.000 0.279 58 T C -0.317 174.598 174.700 0.359 0.000 0.998 58 T CA -0.088 62.180 62.100 0.280 0.000 0.994 58 T CB 0.744 69.730 68.868 0.196 0.000 0.960 58 T HN 0.579 nan 8.240 nan 0.000 0.448 59 M N 3.479 123.255 119.600 0.294 0.000 2.190 59 M HA 0.385 4.864 4.480 -0.000 0.000 0.312 59 M C -0.378 175.985 176.300 0.105 0.000 0.990 59 M CA -0.895 54.544 55.300 0.233 0.000 0.927 59 M CB 1.324 34.128 32.600 0.340 0.000 1.571 59 M HN 0.343 nan 8.290 nan 0.000 0.427 60 N N 3.315 122.038 118.700 0.037 0.000 2.508 60 N HA 0.184 4.924 4.740 -0.000 0.000 0.253 60 N C -0.845 174.632 175.510 -0.056 0.000 1.145 60 N CA 0.036 53.085 53.050 -0.002 0.000 0.973 60 N CB 0.561 39.038 38.487 -0.016 0.000 1.305 60 N HN 0.366 nan 8.380 nan 0.000 0.506 61 V N 2.697 122.539 119.914 -0.120 0.000 2.432 61 V HA 0.128 4.248 4.120 -0.000 0.000 0.275 61 V C 0.470 176.335 176.094 -0.383 0.000 1.043 61 V CA -0.818 61.291 62.300 -0.318 0.000 0.925 61 V CB 0.842 32.286 31.823 -0.632 0.000 0.985 61 V HN 0.461 nan 8.190 nan 0.000 0.466 62 N N 4.851 123.373 118.700 -0.296 0.000 2.415 62 N HA 0.295 5.035 4.740 -0.000 0.000 0.246 62 N C -0.791 174.582 175.510 -0.228 0.000 1.078 62 N CA -0.006 52.937 53.050 -0.180 0.000 0.942 62 N CB 0.722 39.163 38.487 -0.077 0.000 1.140 62 N HN 0.429 nan 8.380 nan 0.000 0.501 63 F N 1.229 121.179 119.950 -0.000 0.000 2.420 63 F HA 0.200 4.726 4.527 -0.000 0.000 0.352 63 F C 0.824 176.804 175.800 0.301 0.000 1.108 63 F CA -0.298 57.763 58.000 0.101 0.000 1.162 63 F CB 0.877 39.919 39.000 0.069 0.000 1.118 63 F HN 0.199 nan 8.300 nan 0.000 0.510 64 D N 2.715 123.410 120.400 0.492 0.000 2.350 64 D HA 0.261 4.901 4.640 -0.000 0.000 0.245 64 D C -0.060 176.328 176.300 0.148 0.000 1.036 64 D CA -0.673 53.533 54.000 0.344 0.000 0.848 64 D CB 1.452 42.335 40.800 0.139 0.000 1.307 64 D HN 0.207 nan 8.370 nan 0.000 0.469 65 R N 2.222 122.572 120.500 -0.251 0.000 2.351 65 R HA 0.160 4.500 4.340 -0.000 0.000 0.318 65 R C 1.346 177.521 176.300 -0.208 0.000 1.055 65 R CA -0.047 55.731 56.100 -0.537 0.000 0.968 65 R CB 0.391 30.300 30.300 -0.651 0.000 0.974 65 R HN 0.552 nan 8.270 nan 0.000 0.439 66 I N 1.992 122.480 120.570 -0.137 0.000 2.151 66 I HA -0.357 3.813 4.170 -0.000 0.000 0.243 66 I C 1.715 177.789 176.117 -0.071 0.000 1.080 66 I CA 1.711 62.974 61.300 -0.061 0.000 1.339 66 I CB -0.321 37.661 38.000 -0.029 0.000 1.039 66 I HN 0.541 nan 8.210 nan 0.000 0.409 67 D N -0.449 119.895 120.400 -0.094 0.000 2.347 67 D HA -0.136 4.504 4.640 -0.000 0.000 0.215 67 D C 0.683 176.932 176.300 -0.085 0.000 0.976 67 D CA 0.580 54.529 54.000 -0.085 0.000 0.884 67 D CB -0.364 40.379 40.800 -0.095 0.000 0.915 67 D HN 0.263 nan 8.370 nan 0.000 0.526 68 N N -0.305 118.335 118.700 -0.101 0.000 2.785 68 N HA 0.168 4.908 4.740 -0.000 0.000 0.224 68 N C -2.493 172.975 175.510 -0.070 0.000 1.448 68 N CA -1.260 51.742 53.050 -0.080 0.000 0.748 68 N CB 1.323 39.761 38.487 -0.083 0.000 1.385 68 N HN -0.235 nan 8.380 nan 0.000 0.538 69 P HA -0.056 nan 4.420 nan 0.000 0.225 69 P C 1.169 178.477 177.300 0.013 0.000 1.148 69 P CA 0.906 63.998 63.100 -0.013 0.000 0.779 69 P CB 0.229 31.927 31.700 -0.004 0.000 0.780 70 S N -0.274 115.429 115.700 0.004 0.000 2.402 70 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 70 S C 1.009 175.635 174.600 0.043 0.000 1.030 70 S CA 0.885 59.096 58.200 0.019 0.000 1.003 70 S CB -1.285 61.920 63.200 0.009 0.000 0.813 70 S HN 0.152 nan 8.310 nan 0.000 0.477 71 I N 2.061 122.653 120.570 0.037 0.000 2.379 71 I HA 0.327 4.497 4.170 -0.000 0.000 0.290 71 I C 0.232 176.491 176.117 0.236 0.000 1.063 71 I CA 0.037 61.394 61.300 0.094 0.000 1.351 71 I CB 0.882 38.902 38.000 0.034 0.000 1.410 71 I HN 0.069 nan 8.210 nan 0.000 0.505 72 T N 6.171 120.898 114.554 0.289 0.000 2.909 72 T HA 0.723 5.073 4.350 -0.000 0.000 0.299 72 T C -0.818 173.995 174.700 0.188 0.000 1.073 72 T CA -0.497 61.803 62.100 0.333 0.000 0.999 72 T CB 1.541 70.509 68.868 0.167 0.000 1.098 72 T HN 0.431 nan 8.240 nan 0.000 0.477 73 V N 1.994 121.940 119.914 0.054 0.000 3.130 73 V HA 0.778 4.898 4.120 -0.000 0.000 0.310 73 V C -1.213 174.797 176.094 -0.141 0.000 1.158 73 V CA -1.024 61.188 62.300 -0.145 0.000 1.029 73 V CB 1.942 33.557 31.823 -0.348 0.000 1.057 73 V HN 0.972 nan 8.190 nan 0.000 0.436 74 Q N 1.540 121.168 119.800 -0.285 0.000 2.330 74 Q HA 0.561 4.901 4.340 -0.000 0.000 0.269 74 Q C -1.710 174.058 176.000 -0.385 0.000 1.022 74 Q CA -0.618 55.063 55.803 -0.204 0.000 0.796 74 Q CB 1.470 30.133 28.738 -0.125 0.000 1.271 74 Q HN 1.008 nan 8.270 nan 0.000 0.450 75 H N 2.991 122.143 119.070 0.138 0.000 2.806 75 H HA 0.415 4.970 4.556 -0.001 0.000 0.367 75 H C -2.562 172.814 175.328 0.080 0.000 1.136 75 H CA -2.025 54.078 56.048 0.092 0.000 1.178 75 H CB 1.971 31.749 29.762 0.028 0.000 1.718 75 H HN 0.536 nan 8.280 nan 0.000 0.540 76 P HA 0.108 nan 4.420 nan 0.000 0.276 76 P C -0.513 176.894 177.300 0.178 0.000 1.235 76 P CA -0.340 62.850 63.100 0.149 0.000 0.772 76 P CB 0.857 32.636 31.700 0.132 0.000 0.871 77 V N 4.583 124.585 119.914 0.147 0.000 2.409 77 V HA 0.258 4.378 4.120 -0.000 0.000 0.291 77 V C 0.221 176.457 176.094 0.237 0.000 1.020 77 V CA -0.572 61.831 62.300 0.172 0.000 0.848 77 V CB 1.207 33.008 31.823 -0.037 0.000 0.990 77 V HN 0.455 nan 8.190 nan 0.000 0.430 78 Q N 2.975 122.929 119.800 0.257 0.000 2.243 78 Q HA 0.619 4.958 4.340 -0.000 0.000 0.252 78 Q C -1.015 175.160 176.000 0.292 0.000 0.909 78 Q CA -0.538 55.411 55.803 0.243 0.000 0.922 78 Q CB 2.409 31.264 28.738 0.195 0.000 1.215 78 Q HN 0.600 nan 8.270 nan 0.000 0.427 79 V N 2.801 122.871 119.914 0.261 0.000 2.376 79 V HA 0.248 4.368 4.120 -0.000 0.000 0.287 79 V C -0.547 175.607 176.094 0.101 0.000 1.015 79 V CA -0.693 61.763 62.300 0.260 0.000 0.834 79 V CB 1.343 33.323 31.823 0.261 0.000 1.001 79 V HN 0.715 nan 8.190 nan 0.000 0.428 80 Q N 3.870 123.749 119.800 0.132 0.000 2.333 80 Q HA 0.592 4.931 4.340 -0.000 0.000 0.268 80 Q C -1.169 174.863 176.000 0.054 0.000 1.007 80 Q CA -0.550 55.307 55.803 0.089 0.000 0.810 80 Q CB 2.137 30.967 28.738 0.153 0.000 1.264 80 Q HN 0.583 nan 8.270 nan 0.000 0.452 81 V N 4.145 123.991 119.914 -0.113 0.000 2.521 81 V HA 0.046 4.166 4.120 -0.000 0.000 0.286 81 V C 1.220 177.467 176.094 0.255 0.000 1.034 81 V CA 0.880 63.125 62.300 -0.091 0.000 1.045 81 V CB 0.897 32.444 31.823 -0.460 0.000 0.974 81 V HN 1.072 nan 8.190 nan 0.000 0.480 82 T N -0.015 114.728 114.554 0.316 0.000 3.000 82 T HA 0.175 4.525 4.350 -0.000 0.000 0.248 82 T C 0.680 175.634 174.700 0.424 0.000 1.034 82 T CA 0.442 62.774 62.100 0.386 0.000 1.060 82 T CB 0.465 69.567 68.868 0.390 0.000 0.983 82 T HN 0.610 nan 8.240 nan 0.000 0.482 83 S N -0.495 115.439 115.700 0.390 0.000 2.603 83 S HA 0.427 4.897 4.470 -0.000 0.000 0.274 83 S C -0.392 174.393 174.600 0.308 0.000 1.168 83 S CA -0.857 57.583 58.200 0.399 0.000 0.963 83 S CB 1.259 64.664 63.200 0.341 0.000 1.078 83 S HN 0.288 nan 8.310 nan 0.000 0.477 84 Y N 5.301 125.714 120.300 0.188 0.000 2.184 84 Y HA 0.033 4.583 4.550 -0.000 0.000 0.290 84 Y C 1.858 177.823 175.900 0.109 0.000 1.129 84 Y CA 1.918 60.053 58.100 0.057 0.000 1.144 84 Y CB -0.081 38.387 38.460 0.013 0.000 0.995 84 Y HN 0.706 nan 8.280 nan 0.000 0.513 85 N N 0.402 119.336 118.700 0.391 0.000 2.244 85 N HA -0.151 4.589 4.740 -0.000 0.000 0.183 85 N C 0.394 176.009 175.510 0.175 0.000 1.016 85 N CA 1.441 54.657 53.050 0.276 0.000 0.866 85 N CB -0.375 38.274 38.487 0.271 0.000 0.980 85 N HN 0.504 nan 8.380 nan 0.000 0.430 86 N N 1.288 120.110 118.700 0.203 0.000 2.273 86 N HA 0.062 4.802 4.740 -0.000 0.000 0.231 86 N C -0.815 174.831 175.510 0.227 0.000 1.134 86 N CA -0.099 53.075 53.050 0.205 0.000 0.856 86 N CB 0.208 38.834 38.487 0.232 0.000 1.068 86 N HN 0.093 nan 8.380 nan 0.000 0.510 87 N N 1.638 120.434 118.700 0.160 0.000 2.671 87 N HA -0.143 4.597 4.740 -0.000 0.000 0.261 87 N C -0.941 174.792 175.510 0.372 0.000 1.053 87 N CA 0.911 54.054 53.050 0.154 0.000 0.732 87 N CB -1.148 37.413 38.487 0.122 0.000 0.887 87 N HN 0.444 nan 8.380 nan 0.000 0.546 88 S N -0.468 115.460 115.700 0.381 0.000 2.546 88 S HA 0.744 5.213 4.470 -0.000 0.000 0.272 88 S C -0.713 174.177 174.600 0.484 0.000 1.140 88 S CA -0.941 57.557 58.200 0.498 0.000 0.920 88 S CB 2.358 65.821 63.200 0.438 0.000 1.083 88 S HN 0.405 nan 8.310 nan 0.000 0.476 89 Y N 0.350 120.877 120.300 0.378 0.000 2.790 89 Y HA 0.840 5.390 4.550 -0.001 0.000 0.323 89 Y C -0.583 175.474 175.900 0.262 0.000 1.230 89 Y CA -1.416 56.831 58.100 0.245 0.000 1.121 89 Y CB 1.138 39.687 38.460 0.148 0.000 1.328 89 Y HN 0.947 nan 8.280 nan 0.000 0.514 90 R N 1.428 122.078 120.500 0.250 0.000 2.522 90 R HA 0.666 5.006 4.340 -0.000 0.000 0.283 90 R C -2.436 174.016 176.300 0.254 0.000 1.074 90 R CA -0.656 55.441 56.100 -0.004 0.000 0.925 90 R CB 2.225 32.392 30.300 -0.222 0.000 1.205 90 R HN 0.741 nan 8.270 nan 0.000 0.436 91 V N 4.749 124.847 119.914 0.305 0.000 2.483 91 V HA 0.662 4.782 4.120 -0.000 0.000 0.295 91 V C -0.116 176.235 176.094 0.428 0.000 1.035 91 V CA -0.667 61.930 62.300 0.495 0.000 0.896 91 V CB 1.603 33.879 31.823 0.756 0.000 0.986 91 V HN 0.759 nan 8.190 nan 0.000 0.447 92 R N 4.523 125.273 120.500 0.417 0.000 2.561 92 R HA 0.600 4.939 4.340 -0.000 0.000 0.266 92 R C -2.155 174.368 176.300 0.373 0.000 1.091 92 R CA -0.395 55.921 56.100 0.361 0.000 0.927 92 R CB 2.202 32.624 30.300 0.202 0.000 1.240 92 R HN 0.724 nan 8.270 nan 0.000 0.449 93 F N 0.912 120.966 119.950 0.173 0.000 2.779 93 F HA 0.589 5.115 4.527 -0.000 0.000 0.316 93 F C -2.006 173.776 175.800 -0.031 0.000 1.164 93 F CA -1.067 56.948 58.000 0.026 0.000 0.924 93 F CB 1.592 40.560 39.000 -0.052 0.000 1.348 93 F HN 0.459 nan 8.300 nan 0.000 0.467 94 N N 1.709 120.413 118.700 0.006 0.000 2.558 94 N HA 0.440 5.180 4.740 -0.000 0.000 0.285 94 N C -2.404 172.886 175.510 -0.367 0.000 1.112 94 N CA -2.461 50.463 53.050 -0.211 0.000 0.857 94 N CB 2.297 40.708 38.487 -0.126 0.000 1.376 94 N HN 0.403 nan 8.380 nan 0.000 0.526 95 P HA 0.039 nan 4.420 nan 0.000 0.230 95 P C -0.214 176.663 177.300 -0.706 0.000 1.158 95 P CA 0.973 63.362 63.100 -1.184 0.000 0.769 95 P CB 0.705 31.624 31.700 -1.301 0.000 0.807 96 D N -1.073 119.095 120.400 -0.388 0.000 2.454 96 D HA 0.227 4.866 4.640 -0.000 0.000 0.214 96 D C 1.304 177.529 176.300 -0.125 0.000 1.088 96 D CA 0.635 54.507 54.000 -0.213 0.000 0.855 96 D CB 1.558 42.264 40.800 -0.157 0.000 1.025 96 D HN 0.189 nan 8.370 nan 0.000 0.502 97 G N 0.672 109.400 108.800 -0.119 0.000 2.341 97 G HA2 0.302 4.262 3.960 -0.000 0.000 0.299 97 G HA3 0.302 4.262 3.960 -0.000 0.000 0.299 97 G C -2.949 171.919 174.900 -0.054 0.000 1.274 97 G CA -0.774 44.290 45.100 -0.060 0.000 0.853 97 G HN -0.284 nan 8.290 nan 0.000 0.493 98 P HA 0.317 nan 4.420 nan 0.000 0.269 98 P C 0.034 177.301 177.300 -0.055 0.000 1.217 98 P CA -0.088 62.993 63.100 -0.032 0.000 0.783 98 P CB 0.501 32.179 31.700 -0.036 0.000 0.898 99 I N 1.986 122.545 120.570 -0.019 0.000 2.648 99 I HA 0.097 4.267 4.170 -0.000 0.000 0.284 99 I C 1.319 177.402 176.117 -0.058 0.000 1.153 99 I CA 0.662 61.953 61.300 -0.015 0.000 1.426 99 I CB 0.054 38.082 38.000 0.048 0.000 1.381 99 I HN 0.162 nan 8.210 nan 0.000 0.571 100 R N 4.465 124.912 120.500 -0.088 0.000 2.532 100 R HA 0.256 4.595 4.340 -0.000 0.000 0.297 100 R C -1.300 175.007 176.300 0.012 0.000 0.984 100 R CA -0.816 55.181 56.100 -0.172 0.000 0.884 100 R CB 1.265 31.227 30.300 -0.563 0.000 1.182 100 R HN 0.540 nan 8.270 nan 0.000 0.442 101 D N 3.322 123.746 120.400 0.041 0.000 2.417 101 D HA 0.031 4.670 4.640 -0.000 0.000 0.250 101 D C 0.473 176.931 176.300 0.263 0.000 1.166 101 D CA 0.184 54.256 54.000 0.121 0.000 0.881 101 D CB 1.219 42.058 40.800 0.065 0.000 1.164 101 D HN 0.281 nan 8.370 nan 0.000 0.467 102 V N 1.281 121.336 119.914 0.234 0.000 2.843 102 V HA 0.161 4.280 4.120 -0.000 0.000 0.305 102 V C 1.308 177.435 176.094 0.057 0.000 1.065 102 V CA 0.024 62.372 62.300 0.081 0.000 1.116 102 V CB 0.860 32.633 31.823 -0.083 0.000 0.968 102 V HN 0.676 nan 8.190 nan 0.000 0.487 103 T N 0.218 114.778 114.554 0.010 0.000 3.015 103 T HA 0.252 4.602 4.350 -0.000 0.000 0.250 103 T C 0.686 175.402 174.700 0.026 0.000 1.057 103 T CA 0.288 62.412 62.100 0.039 0.000 1.066 103 T CB 0.058 68.967 68.868 0.069 0.000 0.959 103 T HN 0.840 nan 8.240 nan 0.000 0.488 104 R N 0.232 120.720 120.500 -0.021 0.000 2.686 104 R HA 0.600 4.940 4.340 -0.000 0.000 0.283 104 R C -0.932 175.352 176.300 -0.027 0.000 0.978 104 R CA -0.011 56.111 56.100 0.037 0.000 0.897 104 R CB 1.686 32.016 30.300 0.050 0.000 1.192 104 R HN 0.440 nan 8.270 nan 0.000 0.457 105 G N 3.184 112.020 108.800 0.061 0.000 2.339 105 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.381 105 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.381 105 G C -2.544 172.395 174.900 0.064 0.000 1.400 105 G CA -0.671 44.365 45.100 -0.106 0.000 1.002 105 G HN 0.397 nan 8.290 nan 0.000 0.633 106 P HA 0.033 nan 4.420 nan 0.000 0.215 106 P C 0.901 178.183 177.300 -0.029 0.000 1.153 106 P CA 1.067 64.164 63.100 -0.006 0.000 0.853 106 P CB 0.184 31.787 31.700 -0.162 0.000 0.788 107 I N 1.066 121.660 120.570 0.040 0.000 2.307 107 I HA 0.229 4.398 4.170 -0.000 0.000 0.287 107 I C 0.503 176.647 176.117 0.045 0.000 1.054 107 I CA -0.611 60.714 61.300 0.041 0.000 1.218 107 I CB 0.522 38.586 38.000 0.106 0.000 1.398 107 I HN -0.126 nan 8.210 nan 0.000 0.475 108 L N 5.751 126.966 121.223 -0.014 0.000 2.334 108 L HA 0.380 4.720 4.340 -0.000 0.000 0.275 108 L C 1.617 178.428 176.870 -0.099 0.000 1.036 108 L CA -0.601 54.195 54.840 -0.072 0.000 0.807 108 L CB 1.903 43.863 42.059 -0.165 0.000 1.231 108 L HN 0.543 nan 8.230 nan 0.000 0.438 109 K N 1.342 121.690 120.400 -0.086 0.000 2.032 109 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 109 K C 1.615 178.121 176.600 -0.156 0.000 1.048 109 K CA 1.978 58.224 56.287 -0.068 0.000 0.927 109 K CB 0.170 32.647 32.500 -0.037 0.000 0.712 109 K HN 0.621 nan 8.250 nan 0.000 0.441 110 Q N 0.200 119.787 119.800 -0.356 0.000 2.170 110 Q HA -0.210 4.130 4.340 -0.000 0.000 0.203 110 Q C 1.995 177.672 176.000 -0.538 0.000 0.976 110 Q CA 1.674 57.151 55.803 -0.543 0.000 0.858 110 Q CB -0.121 27.989 28.738 -1.046 0.000 0.907 110 Q HN 0.313 nan 8.270 nan 0.000 0.433 111 Q N 0.423 119.896 119.800 -0.545 0.000 2.062 111 Q HA -0.010 4.330 4.340 -0.000 0.000 0.196 111 Q C 1.780 177.843 176.000 0.106 0.000 0.967 111 Q CA 1.192 56.936 55.803 -0.098 0.000 0.832 111 Q CB -0.176 28.560 28.738 -0.003 0.000 0.899 111 Q HN 0.414 nan 8.270 nan 0.000 0.442 112 L N 0.701 121.960 121.223 0.061 0.000 2.043 112 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 112 L C 1.865 178.799 176.870 0.107 0.000 1.075 112 L CA 1.538 56.457 54.840 0.131 0.000 0.752 112 L CB -0.706 41.435 42.059 0.137 0.000 0.891 112 L HN 0.280 nan 8.230 nan 0.000 0.432 113 D N -0.841 119.592 120.400 0.055 0.000 2.123 113 D HA -0.242 4.398 4.640 -0.000 0.000 0.196 113 D C 1.745 178.089 176.300 0.072 0.000 0.992 113 D CA 1.252 55.269 54.000 0.029 0.000 0.833 113 D CB -0.261 40.544 40.800 0.009 0.000 0.954 113 D HN 0.456 nan 8.370 nan 0.000 0.455 114 W N 1.024 122.318 121.300 -0.009 0.000 2.436 114 W HA -0.005 4.655 4.660 -0.001 0.000 0.284 114 W C 1.919 178.455 176.519 0.029 0.000 1.225 114 W CA 0.732 58.097 57.345 0.034 0.000 1.271 114 W CB -0.135 29.398 29.460 0.121 0.000 1.114 114 W HN -0.128 nan 8.180 nan 0.000 0.559 115 I N 0.338 121.090 120.570 0.304 0.000 2.202 115 I HA -0.251 3.918 4.170 -0.000 0.000 0.242 115 I C 2.689 178.765 176.117 -0.068 0.000 1.091 115 I CA 1.551 62.957 61.300 0.176 0.000 1.368 115 I CB -0.723 37.465 38.000 0.313 0.000 1.058 115 I HN -0.090 nan 8.210 nan 0.000 0.410 116 R N 0.574 121.006 120.500 -0.113 0.000 2.081 116 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 116 R C 2.281 178.281 176.300 -0.501 0.000 1.131 116 R CA 2.077 57.924 56.100 -0.422 0.000 0.960 116 R CB -0.287 29.724 30.300 -0.481 0.000 0.856 116 R HN 0.276 nan 8.270 nan 0.000 0.436 117 T N 1.102 115.431 114.554 -0.375 0.000 2.708 117 T HA -0.157 4.192 4.350 -0.000 0.000 0.266 117 T C 1.728 176.196 174.700 -0.387 0.000 1.037 117 T CA 1.029 62.916 62.100 -0.356 0.000 1.146 117 T CB -0.211 68.485 68.868 -0.287 0.000 0.865 117 T HN 0.219 nan 8.240 nan 0.000 0.435 118 Q N 1.198 120.678 119.800 -0.534 0.000 2.014 118 Q HA -0.146 4.194 4.340 -0.000 0.000 0.207 118 Q C 2.332 178.179 176.000 -0.256 0.000 0.993 118 Q CA 1.750 57.257 55.803 -0.492 0.000 0.850 118 Q CB -0.463 27.872 28.738 -0.672 0.000 0.916 118 Q HN 0.662 nan 8.270 nan 0.000 0.417 119 E N -0.061 120.028 120.200 -0.186 0.000 2.150 119 E HA -0.107 4.242 4.350 -0.000 0.000 0.193 119 E C 2.185 178.758 176.600 -0.046 0.000 0.985 119 E CA 0.460 56.847 56.400 -0.021 0.000 0.814 119 E CB -0.064 29.762 29.700 0.211 0.000 0.752 119 E HN 0.274 nan 8.360 nan 0.000 0.466 120 L N 0.956 122.067 121.223 -0.186 0.000 2.141 120 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 120 L C 2.578 179.383 176.870 -0.108 0.000 1.094 120 L CA 1.180 55.927 54.840 -0.156 0.000 0.763 120 L CB -0.324 41.565 42.059 -0.284 0.000 0.908 120 L HN 0.186 nan 8.230 nan 0.000 0.437 121 S N -1.481 114.141 115.700 -0.129 0.000 2.522 121 S HA -0.082 4.387 4.470 -0.000 0.000 0.227 121 S C 1.386 175.946 174.600 -0.067 0.000 0.986 121 S CA 0.392 58.534 58.200 -0.097 0.000 0.929 121 S CB -0.089 63.042 63.200 -0.115 0.000 0.769 121 S HN 0.469 nan 8.310 nan 0.000 0.529 122 E N 0.511 120.675 120.200 -0.061 0.000 2.481 122 E HA 0.309 4.659 4.350 -0.000 0.000 0.198 122 E C 0.967 177.543 176.600 -0.041 0.000 1.027 122 E CA 0.122 56.499 56.400 -0.038 0.000 0.900 122 E CB 0.221 29.908 29.700 -0.022 0.000 0.993 122 E HN 0.665 nan 8.360 nan 0.000 0.482 123 G N 1.275 110.047 108.800 -0.047 0.000 2.136 123 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.242 123 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.242 123 G C 0.262 175.089 174.900 -0.122 0.000 0.989 123 G CA -0.054 45.012 45.100 -0.057 0.000 0.682 123 G HN 0.324 nan 8.290 nan 0.000 0.522 124 C N 0.998 120.212 119.300 -0.143 0.000 2.627 124 C HA 0.515 4.975 4.460 -0.000 0.000 0.404 124 C C 0.461 175.342 174.990 -0.181 0.000 1.340 124 C CA -0.124 58.659 59.018 -0.392 0.000 1.758 124 C CB 0.422 28.023 27.740 -0.230 0.000 2.501 124 C HN 0.493 nan 8.230 nan 0.000 0.588 125 D N 4.231 124.407 120.400 -0.374 0.000 2.421 125 D HA 0.301 4.941 4.640 -0.000 0.000 0.254 125 D C -1.217 175.009 176.300 -0.123 0.000 1.238 125 D CA -1.583 52.344 54.000 -0.121 0.000 0.919 125 D CB 1.332 42.109 40.800 -0.037 0.000 1.152 125 D HN 0.242 nan 8.370 nan 0.000 0.552 126 P HA 0.077 nan 4.420 nan 0.000 0.222 126 P C 0.806 178.087 177.300 -0.031 0.000 1.147 126 P CA 0.772 63.842 63.100 -0.051 0.000 0.790 126 P CB 0.157 31.587 31.700 -0.451 0.000 0.780 127 G N 0.575 109.337 108.800 -0.064 0.000 2.314 127 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.292 127 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.292 127 G C 0.120 174.997 174.900 -0.039 0.000 1.059 127 G CA -0.132 44.951 45.100 -0.028 0.000 0.982 127 G HN 0.250 nan 8.290 nan 0.000 0.505 128 M N 0.626 120.178 119.600 -0.080 0.000 2.327 128 M HA 0.298 4.778 4.480 -0.000 0.000 0.353 128 M C 0.711 176.946 176.300 -0.108 0.000 1.539 128 M CA 1.199 56.440 55.300 -0.099 0.000 1.039 128 M CB 0.555 33.056 32.600 -0.164 0.000 1.967 128 M HN 0.356 nan 8.290 nan 0.000 0.459 129 T N 3.986 118.449 114.554 -0.151 0.000 3.041 129 T HA 0.544 4.894 4.350 -0.000 0.000 0.321 129 T C -1.238 173.340 174.700 -0.202 0.000 1.184 129 T CA -0.649 61.374 62.100 -0.128 0.000 1.050 129 T CB 0.731 69.579 68.868 -0.033 0.000 1.159 129 T HN 0.312 nan 8.240 nan 0.000 0.469 130 F N 3.585 123.549 119.950 0.023 0.000 2.412 130 F HA 0.425 4.951 4.527 -0.001 0.000 0.348 130 F C 1.757 177.549 175.800 -0.013 0.000 1.102 130 F CA -0.347 57.660 58.000 0.011 0.000 1.196 130 F CB 1.290 40.294 39.000 0.007 0.000 1.144 130 F HN 0.685 nan 8.300 nan 0.000 0.541 131 T N -1.549 113.113 114.554 0.180 0.000 2.729 131 T HA 0.098 4.448 4.350 -0.000 0.000 0.298 131 T C 1.498 176.186 174.700 -0.021 0.000 1.013 131 T CA -0.068 62.063 62.100 0.051 0.000 0.957 131 T CB 0.925 69.806 68.868 0.021 0.000 1.130 131 T HN 0.576 nan 8.240 nan 0.000 0.526 132 S N -0.066 115.589 115.700 -0.076 0.000 2.382 132 S HA -0.148 4.321 4.470 -0.000 0.000 0.228 132 S C 1.663 176.146 174.600 -0.196 0.000 1.027 132 S CA 1.512 59.649 58.200 -0.105 0.000 0.991 132 S CB -0.850 62.299 63.200 -0.085 0.000 0.823 132 S HN 0.753 nan 8.310 nan 0.000 0.469 133 E N 0.437 120.418 120.200 -0.364 0.000 2.418 133 E HA 0.253 4.602 4.350 -0.000 0.000 0.197 133 E C 1.448 177.723 176.600 -0.542 0.000 1.026 133 E CA 0.644 56.681 56.400 -0.604 0.000 0.862 133 E CB -0.440 28.477 29.700 -1.306 0.000 0.799 133 E HN 0.662 nan 8.360 nan 0.000 0.518 134 G N -0.083 108.517 108.800 -0.332 0.000 2.141 134 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.231 134 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.231 134 G C -0.270 174.730 174.900 0.166 0.000 0.984 134 G CA -0.349 44.674 45.100 -0.128 0.000 0.660 134 G HN 0.110 nan 8.290 nan 0.000 0.525 135 F N -0.175 119.870 119.950 0.158 0.000 2.412 135 F HA 0.652 5.179 4.527 -0.001 0.000 0.348 135 F C 0.630 176.495 175.800 0.109 0.000 1.102 135 F CA -1.957 56.096 58.000 0.087 0.000 1.196 135 F CB 1.123 40.112 39.000 -0.018 0.000 1.144 135 F HN 0.057 nan 8.300 nan 0.000 0.541 136 L N 3.800 125.134 121.223 0.185 0.000 2.265 136 L HA 0.482 4.821 4.340 -0.000 0.000 0.288 136 L C 0.149 176.919 176.870 -0.166 0.000 1.058 136 L CA 0.003 54.807 54.840 -0.059 0.000 0.809 136 L CB 0.503 42.495 42.059 -0.111 0.000 1.179 136 L HN 0.759 nan 8.230 nan 0.000 0.429 137 T N 2.221 116.680 114.554 -0.159 0.000 2.885 137 T HA 0.819 5.169 4.350 -0.000 0.000 0.285 137 T C -0.440 174.184 174.700 -0.126 0.000 1.019 137 T CA -0.569 61.385 62.100 -0.244 0.000 1.010 137 T CB 1.423 70.168 68.868 -0.204 0.000 1.022 137 T HN 0.500 nan 8.240 nan 0.000 0.466 138 F N -1.064 118.716 119.950 -0.283 0.000 2.789 138 F HA 0.901 5.428 4.527 -0.000 0.000 0.319 138 F C -1.056 174.588 175.800 -0.261 0.000 1.168 138 F CA -1.305 56.534 58.000 -0.267 0.000 0.934 138 F CB 1.260 40.078 39.000 -0.304 0.000 1.375 138 F HN 0.641 nan 8.300 nan 0.000 0.480 139 E N -0.112 120.110 120.200 0.036 0.000 2.367 139 E HA 0.583 4.933 4.350 -0.000 0.000 0.273 139 E C -1.240 175.307 176.600 -0.089 0.000 0.903 139 E CA -1.021 55.318 56.400 -0.102 0.000 0.764 139 E CB 2.888 32.541 29.700 -0.079 0.000 1.252 139 E HN 0.845 nan 8.360 nan 0.000 0.446 140 T N -2.122 112.235 114.554 -0.330 0.000 2.807 140 T HA 0.331 4.681 4.350 -0.000 0.000 0.277 140 T C 1.004 175.096 174.700 -1.012 0.000 1.006 140 T CA -0.816 60.834 62.100 -0.751 0.000 1.006 140 T CB 1.441 70.088 68.868 -0.368 0.000 1.274 140 T HN 0.431 nan 8.240 nan 0.000 0.569 141 K N 0.025 119.708 120.400 -1.196 0.000 2.059 141 K HA -0.200 4.120 4.320 -0.000 0.000 0.212 141 K C 0.769 177.210 176.600 -0.264 0.000 1.050 141 K CA 2.314 58.258 56.287 -0.571 0.000 0.927 141 K CB -0.225 32.161 32.500 -0.190 0.000 0.714 141 K HN 0.564 nan 8.250 nan 0.000 0.447 142 D N -0.874 119.386 120.400 -0.232 0.000 2.441 142 D HA 0.179 4.818 4.640 -0.000 0.000 0.210 142 D C -0.089 176.102 176.300 -0.182 0.000 1.102 142 D CA 0.200 54.112 54.000 -0.146 0.000 0.840 142 D CB 0.623 41.375 40.800 -0.081 0.000 0.990 142 D HN 0.118 nan 8.370 nan 0.000 0.505 143 L N 0.174 121.245 121.223 -0.253 0.000 2.371 143 L HA 0.495 4.835 4.340 -0.000 0.000 0.262 143 L C -0.341 176.328 176.870 -0.335 0.000 1.006 143 L CA -0.888 53.772 54.840 -0.299 0.000 0.818 143 L CB 2.308 44.135 42.059 -0.387 0.000 1.354 143 L HN -0.258 nan 8.230 nan 0.000 0.415 144 S N 0.333 115.812 115.700 -0.368 0.000 2.513 144 S HA 0.855 5.325 4.470 -0.000 0.000 0.299 144 S C -0.773 173.466 174.600 -0.603 0.000 1.087 144 S CA -0.787 57.145 58.200 -0.446 0.000 1.012 144 S CB 2.196 65.198 63.200 -0.329 0.000 1.044 144 S HN 0.260 nan 8.310 nan 0.000 0.485 145 V N 3.154 122.529 119.914 -0.900 0.000 2.540 145 V HA 0.620 4.739 4.120 -0.000 0.000 0.302 145 V C -0.541 175.022 176.094 -0.884 0.000 1.035 145 V CA -0.701 60.965 62.300 -1.056 0.000 0.873 145 V CB 1.578 32.333 31.823 -1.780 0.000 0.992 145 V HN 0.993 nan 8.190 nan 0.000 0.428 146 I N 5.091 125.245 120.570 -0.693 0.000 2.582 146 I HA 0.626 4.795 4.170 -0.000 0.000 0.292 146 I C -1.341 174.328 176.117 -0.747 0.000 1.066 146 I CA -0.641 60.258 61.300 -0.669 0.000 1.053 146 I CB 1.738 39.356 38.000 -0.637 0.000 1.241 146 I HN 0.552 nan 8.210 nan 0.000 0.421 147 I N 7.332 127.485 120.570 -0.695 0.000 2.436 147 I HA 0.336 4.505 4.170 -0.000 0.000 0.289 147 I C -0.957 174.797 176.117 -0.606 0.000 1.010 147 I CA -0.574 60.336 61.300 -0.650 0.000 1.098 147 I CB 1.557 39.198 38.000 -0.598 0.000 1.266 147 I HN 0.505 nan 8.210 nan 0.000 0.434 148 Y N 2.874 122.987 120.300 -0.311 0.000 2.453 148 Y HA 0.338 4.888 4.550 -0.000 0.000 0.344 148 Y C 1.797 177.715 175.900 0.031 0.000 1.323 148 Y CA 0.056 57.958 58.100 -0.329 0.000 1.526 148 Y CB 0.184 38.335 38.460 -0.515 0.000 1.603 148 Y HN 0.624 nan 8.280 nan 0.000 0.563 149 G N 0.336 109.365 108.800 0.382 0.000 2.442 149 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.219 149 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.219 149 G C 0.910 175.918 174.900 0.180 0.000 1.141 149 G CA 1.202 46.479 45.100 0.295 0.000 0.763 149 G HN 0.663 nan 8.290 nan 0.000 0.554 150 N N -1.214 117.579 118.700 0.155 0.000 2.295 150 N HA 0.098 4.837 4.740 -0.000 0.000 0.221 150 N C 0.591 176.231 175.510 0.216 0.000 1.129 150 N CA -0.830 52.292 53.050 0.120 0.000 0.836 150 N CB -0.389 38.144 38.487 0.076 0.000 1.040 150 N HN 0.222 nan 8.380 nan 0.000 0.494 151 F N -0.401 119.570 119.950 0.035 0.000 2.914 151 F HA -0.296 4.230 4.527 -0.000 0.000 0.304 151 F C 0.328 176.161 175.800 0.054 0.000 0.712 151 F CA 0.481 58.507 58.000 0.043 0.000 1.211 151 F CB -1.310 37.708 39.000 0.030 0.000 1.515 151 F HN 0.176 nan 8.300 nan 0.000 0.350 152 K N 1.963 122.421 120.400 0.098 0.000 2.472 152 K HA 0.320 4.640 4.320 -0.000 0.000 0.280 152 K C -0.275 176.286 176.600 -0.066 0.000 1.028 152 K CA 0.835 57.166 56.287 0.074 0.000 1.045 152 K CB 0.577 33.154 32.500 0.129 0.000 0.902 152 K HN 0.173 nan 8.250 nan 0.000 0.478 153 T N 5.877 120.368 114.554 -0.106 0.000 2.841 153 T HA 0.518 4.868 4.350 -0.000 0.000 0.283 153 T C -0.786 173.790 174.700 -0.207 0.000 1.000 153 T CA -0.814 61.138 62.100 -0.247 0.000 0.977 153 T CB 0.988 69.704 68.868 -0.254 0.000 0.979 153 T HN 0.552 nan 8.240 nan 0.000 0.446 154 R N 1.468 121.791 120.500 -0.294 0.000 2.575 154 R HA 0.646 4.985 4.340 -0.000 0.000 0.293 154 R C -1.489 174.600 176.300 -0.352 0.000 0.983 154 R CA -0.761 55.183 56.100 -0.260 0.000 0.887 154 R CB 2.266 32.448 30.300 -0.196 0.000 1.184 154 R HN 0.359 nan 8.270 nan 0.000 0.445 155 V N 2.696 122.413 119.914 -0.327 0.000 2.357 155 V HA 0.335 4.455 4.120 -0.000 0.000 0.284 155 V C -0.134 175.759 176.094 -0.335 0.000 1.018 155 V CA -0.432 61.637 62.300 -0.386 0.000 0.841 155 V CB 1.735 33.327 31.823 -0.386 0.000 0.991 155 V HN 0.738 nan 8.190 nan 0.000 0.437 156 T N 5.437 119.788 114.554 -0.338 0.000 2.823 156 T HA 0.435 4.784 4.350 -0.000 0.000 0.279 156 T C -0.028 174.516 174.700 -0.260 0.000 0.998 156 T CA -0.482 61.454 62.100 -0.273 0.000 0.994 156 T CB 1.240 69.965 68.868 -0.238 0.000 0.960 156 T HN 0.627 nan 8.240 nan 0.000 0.448 157 R N 2.248 122.619 120.500 -0.214 0.000 2.298 157 R HA 0.240 4.579 4.340 -0.000 0.000 0.310 157 R C 1.052 177.266 176.300 -0.143 0.000 1.068 157 R CA -0.319 55.680 56.100 -0.168 0.000 0.957 157 R CB 0.425 30.651 30.300 -0.122 0.000 1.003 157 R HN 0.615 nan 8.270 nan 0.000 0.454 158 K N 1.115 121.435 120.400 -0.133 0.000 2.057 158 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 158 K C 1.957 178.509 176.600 -0.081 0.000 1.050 158 K CA 1.919 58.140 56.287 -0.109 0.000 0.935 158 K CB 0.053 32.491 32.500 -0.102 0.000 0.715 158 K HN 0.686 nan 8.250 nan 0.000 0.439 159 S N 1.790 117.449 115.700 -0.067 0.000 2.370 159 S HA -0.168 4.302 4.470 -0.000 0.000 0.226 159 S C 1.364 175.934 174.600 -0.050 0.000 1.033 159 S CA 1.727 59.898 58.200 -0.049 0.000 1.011 159 S CB -0.306 62.873 63.200 -0.035 0.000 0.852 159 S HN 0.448 nan 8.310 nan 0.000 0.457 160 D N -1.034 119.331 120.400 -0.059 0.000 2.500 160 D HA 0.305 4.945 4.640 -0.000 0.000 0.217 160 D C 1.193 177.448 176.300 -0.075 0.000 1.159 160 D CA 0.332 54.297 54.000 -0.058 0.000 0.828 160 D CB -0.382 40.390 40.800 -0.047 0.000 1.039 160 D HN 0.570 nan 8.370 nan 0.000 0.512 161 G N 1.032 109.776 108.800 -0.092 0.000 2.155 161 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.257 161 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.257 161 G C 0.136 174.958 174.900 -0.131 0.000 0.983 161 G CA 0.262 45.298 45.100 -0.107 0.000 0.676 161 G HN 0.516 nan 8.290 nan 0.000 0.528 162 K N 0.675 120.988 120.400 -0.146 0.000 2.349 162 K HA 0.438 4.757 4.320 -0.000 0.000 0.288 162 K C 0.777 177.232 176.600 -0.242 0.000 1.058 162 K CA -0.560 55.613 56.287 -0.191 0.000 0.953 162 K CB 0.682 33.061 32.500 -0.201 0.000 0.997 162 K HN 0.009 nan 8.250 nan 0.000 0.477 163 V N 7.379 127.144 119.914 -0.249 0.000 2.425 163 V HA -0.057 4.063 4.120 -0.000 0.000 0.276 163 V C 1.098 176.957 176.094 -0.390 0.000 1.017 163 V CA 0.363 62.500 62.300 -0.271 0.000 1.062 163 V CB -0.047 31.652 31.823 -0.207 0.000 0.997 163 V HN 0.723 nan 8.190 nan 0.000 0.476 164 I N 2.240 122.574 120.570 -0.393 0.000 4.035 164 I HA 0.396 4.565 4.170 -0.000 0.000 0.321 164 I C 0.484 176.434 176.117 -0.278 0.000 1.289 164 I CA 0.821 61.782 61.300 -0.566 0.000 1.236 164 I CB 0.392 38.117 38.000 -0.459 0.000 1.076 164 I HN 0.499 nan 8.210 nan 0.000 0.418 165 M N 2.533 121.997 119.600 -0.227 0.000 2.322 165 M HA 0.446 4.926 4.480 -0.000 0.000 0.285 165 M C -2.137 174.062 176.300 -0.168 0.000 1.119 165 M CA -0.154 55.013 55.300 -0.221 0.000 0.953 165 M CB 2.410 34.626 32.600 -0.640 0.000 1.701 165 M HN 0.480 nan 8.290 nan 0.000 0.479 166 E N 2.862 123.043 120.200 -0.031 0.000 2.308 166 E HA 0.498 4.848 4.350 -0.000 0.000 0.275 166 E C -1.249 175.340 176.600 -0.017 0.000 0.890 166 E CA -0.972 55.407 56.400 -0.036 0.000 0.754 166 E CB 1.540 31.262 29.700 0.038 0.000 1.207 166 E HN 0.674 nan 8.360 nan 0.000 0.426 167 N N 1.442 120.119 118.700 -0.037 0.000 2.379 167 N HA 0.157 4.897 4.740 -0.000 0.000 0.260 167 N C -0.928 174.621 175.510 0.066 0.000 1.254 167 N CA -0.498 52.571 53.050 0.032 0.000 0.958 167 N CB 0.744 39.284 38.487 0.088 0.000 1.208 167 N HN 0.630 nan 8.380 nan 0.000 0.532 168 D N -1.613 118.848 120.400 0.102 0.000 2.177 168 D HA 0.236 4.876 4.640 -0.000 0.000 0.247 168 D C -1.071 175.274 176.300 0.074 0.000 1.063 168 D CA -0.329 53.715 54.000 0.073 0.000 0.867 168 D CB 0.769 41.616 40.800 0.079 0.000 1.168 168 D HN 0.471 nan 8.370 nan 0.000 0.445 169 E N 1.492 121.718 120.200 0.043 0.000 2.195 169 E HA 0.466 4.816 4.350 -0.000 0.000 0.271 169 E C -1.190 175.418 176.600 0.014 0.000 0.923 169 E CA -1.194 55.227 56.400 0.035 0.000 0.790 169 E CB 2.594 32.307 29.700 0.022 0.000 1.155 169 E HN 0.198 nan 8.360 nan 0.000 0.402 170 V N 2.399 122.320 119.914 0.011 0.000 2.417 170 V HA 0.592 4.712 4.120 -0.000 0.000 0.291 170 V C 0.152 176.242 176.094 -0.007 0.000 1.024 170 V CA -0.290 62.006 62.300 -0.007 0.000 0.861 170 V CB 1.369 33.180 31.823 -0.019 0.000 0.985 170 V HN 0.756 nan 8.190 nan 0.000 0.436 171 G N 4.365 113.157 108.800 -0.014 0.000 2.606 171 G HA2 0.538 4.498 3.960 -0.000 0.000 0.252 171 G HA3 0.538 4.498 3.960 -0.000 0.000 0.252 171 G C 0.073 174.963 174.900 -0.016 0.000 1.206 171 G CA 0.422 45.514 45.100 -0.014 0.000 0.861 171 G HN 1.084 nan 8.290 nan 0.000 0.561 172 T N -2.737 111.808 114.554 -0.015 0.000 2.773 172 T HA 0.636 4.986 4.350 -0.000 0.000 0.278 172 T C 1.573 176.263 174.700 -0.018 0.000 1.011 172 T CA 0.255 62.344 62.100 -0.018 0.000 1.014 172 T CB 1.332 70.191 68.868 -0.016 0.000 1.293 172 T HN 0.860 nan 8.240 nan 0.000 0.554 173 A N 1.016 123.825 122.820 -0.019 0.000 1.851 173 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 173 A C 1.947 179.522 177.584 -0.015 0.000 1.195 173 A CA 2.190 54.217 52.037 -0.018 0.000 0.622 173 A CB -1.077 17.912 19.000 -0.018 0.000 0.831 173 A HN 1.665 nan 8.150 nan 0.000 0.444 174 S N -3.177 112.515 115.700 -0.014 0.000 3.088 174 S HA 0.293 4.763 4.470 -0.000 0.000 0.249 174 S C 0.268 174.863 174.600 -0.009 0.000 0.877 174 S CA 0.392 58.585 58.200 -0.011 0.000 1.184 174 S CB 0.069 63.263 63.200 -0.011 0.000 1.170 174 S HN 0.223 nan 8.310 nan 0.000 0.603 175 S N 1.395 117.090 115.700 -0.009 0.000 2.578 175 S HA 0.679 5.149 4.470 -0.000 0.000 0.231 175 S C 0.885 175.484 174.600 -0.002 0.000 0.994 175 S CA 0.045 58.243 58.200 -0.004 0.000 0.956 175 S CB 0.631 63.829 63.200 -0.003 0.000 0.870 175 S HN 1.495 nan 8.310 nan 0.000 0.494 176 G N 2.017 110.813 108.800 -0.005 0.000 2.663 176 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 176 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 176 G C -1.034 173.864 174.900 -0.004 0.000 1.288 176 G CA -1.154 43.943 45.100 -0.005 0.000 0.836 176 G HN 0.378 nan 8.290 nan 0.000 0.584 177 N N 0.835 119.532 118.700 -0.006 0.000 2.530 177 N HA 0.443 5.183 4.740 -0.000 0.000 0.273 177 N C -0.130 175.389 175.510 0.014 0.000 1.173 177 N CA -0.241 52.809 53.050 -0.001 0.000 0.967 177 N CB 0.614 39.095 38.487 -0.010 0.000 1.109 177 N HN 0.359 nan 8.380 nan 0.000 0.453 178 K N 1.396 121.810 120.400 0.022 0.000 2.270 178 K HA 0.289 4.609 4.320 -0.000 0.000 0.255 178 K C -1.023 175.614 176.600 0.061 0.000 0.936 178 K CA -0.552 55.760 56.287 0.042 0.000 0.809 178 K CB 1.970 34.496 32.500 0.044 0.000 1.131 178 K HN 0.490 nan 8.250 nan 0.000 0.427 179 C N 3.561 122.915 119.300 0.090 0.000 2.349 179 C HA 0.255 4.714 4.460 -0.000 0.000 0.348 179 C C 1.304 176.389 174.990 0.158 0.000 1.223 179 C CA -0.416 58.681 59.018 0.131 0.000 1.746 179 C CB -0.912 26.941 27.740 0.189 0.000 2.360 179 C HN 0.692 nan 8.230 nan 0.000 0.533 180 R N 3.189 123.771 120.500 0.137 0.000 2.325 180 R HA 0.073 4.413 4.340 -0.000 0.000 0.214 180 R C 2.030 178.470 176.300 0.233 0.000 0.961 180 R CA 0.512 56.696 56.100 0.140 0.000 1.086 180 R CB 0.030 30.357 30.300 0.046 0.000 1.037 180 R HN 0.967 nan 8.270 nan 0.000 0.493 181 G N 0.809 109.781 108.800 0.287 0.000 2.448 181 G HA2 -0.123 3.836 3.960 -0.000 0.000 0.219 181 G HA3 -0.123 3.836 3.960 -0.000 0.000 0.219 181 G C 0.587 175.757 174.900 0.450 0.000 1.127 181 G CA 0.447 45.792 45.100 0.409 0.000 0.766 181 G HN 0.146 nan 8.290 nan 0.000 0.552 182 L N 0.612 122.024 121.223 0.316 0.000 2.415 182 L HA 0.562 4.901 4.340 -0.000 0.000 0.268 182 L C -0.588 176.522 176.870 0.401 0.000 0.984 182 L CA -0.328 54.663 54.840 0.251 0.000 0.853 182 L CB 1.799 43.879 42.059 0.035 0.000 1.215 182 L HN 0.013 nan 8.230 nan 0.000 0.419 183 M N 3.916 123.812 119.600 0.493 0.000 2.591 183 M HA 0.709 5.189 4.480 -0.000 0.000 0.306 183 M C -1.076 175.693 176.300 0.781 0.000 1.190 183 M CA -0.687 54.935 55.300 0.537 0.000 0.889 183 M CB 2.675 35.487 32.600 0.353 0.000 1.728 183 M HN 0.401 nan 8.290 nan 0.000 0.458 184 F N -1.331 118.953 119.950 0.557 0.000 2.665 184 F HA 0.738 5.265 4.527 -0.000 0.000 0.308 184 F C -1.397 174.382 175.800 -0.035 0.000 1.112 184 F CA -1.370 56.807 58.000 0.295 0.000 0.972 184 F CB 0.469 39.543 39.000 0.123 0.000 1.295 184 F HN 0.237 nan 8.300 nan 0.000 0.440 185 V N 2.418 121.995 119.914 -0.561 0.000 2.655 185 V HA 0.036 4.156 4.120 -0.000 0.000 0.300 185 V C 0.376 176.371 176.094 -0.165 0.000 1.044 185 V CA -0.035 61.785 62.300 -0.800 0.000 1.095 185 V CB 0.470 31.782 31.823 -0.852 0.000 0.952 185 V HN 0.862 nan 8.190 nan 0.000 0.485 186 D N 3.722 124.066 120.400 -0.094 0.000 2.583 186 D HA -0.070 4.569 4.640 -0.000 0.000 0.232 186 D C 1.013 177.386 176.300 0.122 0.000 1.128 186 D CA 0.085 54.225 54.000 0.234 0.000 0.859 186 D CB 0.609 41.524 40.800 0.191 0.000 1.169 186 D HN 0.397 nan 8.370 nan 0.000 0.481 187 R N 2.831 123.424 120.500 0.155 0.000 2.323 187 R HA 0.126 4.466 4.340 -0.000 0.000 0.198 187 R C 1.533 177.759 176.300 -0.123 0.000 0.988 187 R CA 0.186 56.288 56.100 0.002 0.000 1.041 187 R CB -0.105 30.201 30.300 0.011 0.000 0.926 187 R HN 0.521 nan 8.270 nan 0.000 0.476 188 L N -1.247 119.832 121.223 -0.241 0.000 2.395 188 L HA -0.042 4.298 4.340 -0.000 0.000 0.218 188 L C 0.660 177.060 176.870 -0.783 0.000 1.130 188 L CA 0.972 55.461 54.840 -0.585 0.000 0.826 188 L CB 0.082 41.593 42.059 -0.913 0.000 0.941 188 L HN 0.271 nan 8.230 nan 0.000 0.451 189 Y N -1.846 118.404 120.300 -0.083 0.000 2.435 189 Y HA 0.456 5.006 4.550 -0.000 0.000 0.270 189 Y C 1.002 176.811 175.900 -0.152 0.000 1.093 189 Y CA -0.014 58.018 58.100 -0.114 0.000 1.226 189 Y CB 0.666 39.040 38.460 -0.143 0.000 1.289 189 Y HN -0.052 nan 8.280 nan 0.000 0.529 190 G N -0.024 108.728 108.800 -0.081 0.000 2.428 190 G HA2 0.251 4.211 3.960 -0.000 0.000 0.305 190 G HA3 0.251 4.211 3.960 -0.000 0.000 0.305 190 G C -0.948 173.812 174.900 -0.233 0.000 1.260 190 G CA -0.573 44.424 45.100 -0.172 0.000 0.853 190 G HN 0.028 nan 8.290 nan 0.000 0.480 191 N N -0.435 118.060 118.700 -0.342 0.000 2.082 191 N HA 0.468 5.208 4.740 -0.000 0.000 0.228 191 N C 0.445 175.761 175.510 -0.322 0.000 1.341 191 N CA 0.140 52.937 53.050 -0.422 0.000 0.873 191 N CB 1.837 39.794 38.487 -0.883 0.000 1.137 191 N HN 0.746 nan 8.380 nan 0.000 0.505 192 A N 1.435 124.123 122.820 -0.220 0.000 2.366 192 A HA 0.607 4.927 4.320 -0.000 0.000 0.249 192 A C 0.249 177.961 177.584 0.213 0.000 1.084 192 A CA -0.307 51.768 52.037 0.063 0.000 0.794 192 A CB 0.108 19.275 19.000 0.278 0.000 1.034 192 A HN 0.347 nan 8.150 nan 0.000 0.491 193 I N -2.981 117.888 120.570 0.498 0.000 3.145 193 I HA 0.944 5.113 4.170 -0.000 0.000 0.313 193 I C -0.356 176.207 176.117 0.743 0.000 1.122 193 I CA -1.030 60.663 61.300 0.655 0.000 0.987 193 I CB 2.168 40.451 38.000 0.470 0.000 1.236 193 I HN 0.919 nan 8.210 nan 0.000 0.453 194 A N 1.881 125.100 122.820 0.665 0.000 2.599 194 A HA 0.797 5.117 4.320 -0.000 0.000 0.290 194 A C -1.234 176.696 177.584 0.577 0.000 1.101 194 A CA -0.357 51.927 52.037 0.412 0.000 0.674 194 A CB 1.588 20.512 19.000 -0.126 0.000 1.277 194 A HN 0.995 nan 8.150 nan 0.000 0.419 195 S N -0.161 115.864 115.700 0.542 0.000 2.572 195 S HA 0.639 5.108 4.470 -0.000 0.000 0.274 195 S C -1.532 173.469 174.600 0.668 0.000 1.150 195 S CA -0.380 58.231 58.200 0.684 0.000 0.944 195 S CB 1.267 65.040 63.200 0.955 0.000 1.071 195 S HN 1.486 nan 8.310 nan 0.000 0.479 196 V N 4.600 124.821 119.914 0.512 0.000 2.495 196 V HA 0.638 4.758 4.120 -0.000 0.000 0.298 196 V C -0.413 175.911 176.094 0.383 0.000 1.031 196 V CA -0.927 61.650 62.300 0.461 0.000 0.871 196 V CB 1.863 33.832 31.823 0.243 0.000 0.988 196 V HN 0.868 nan 8.190 nan 0.000 0.432 197 N N 2.296 121.241 118.700 0.408 0.000 2.319 197 N HA 0.410 5.150 4.740 -0.000 0.000 0.305 197 N C -0.498 175.107 175.510 0.159 0.000 1.103 197 N CA -0.729 52.455 53.050 0.224 0.000 0.815 197 N CB 2.051 40.660 38.487 0.203 0.000 1.288 197 N HN 0.566 nan 8.380 nan 0.000 0.493 198 K N 1.170 121.594 120.400 0.040 0.000 2.448 198 K HA 0.011 4.331 4.320 -0.000 0.000 0.278 198 K C -0.171 176.347 176.600 -0.138 0.000 1.009 198 K CA 0.203 56.396 56.287 -0.156 0.000 0.995 198 K CB 0.271 32.587 32.500 -0.306 0.000 0.917 198 K HN 0.408 nan 8.250 nan 0.000 0.481 199 N N 3.102 121.673 118.700 -0.214 0.000 2.442 199 N HA 0.162 4.902 4.740 -0.000 0.000 0.274 199 N C -1.230 174.228 175.510 -0.085 0.000 1.002 199 N CA -0.569 52.525 53.050 0.072 0.000 0.910 199 N CB 0.526 39.073 38.487 0.099 0.000 1.244 199 N HN 0.322 nan 8.380 nan 0.000 0.492 200 F N 2.826 122.941 119.950 0.275 0.000 2.916 200 F HA 0.298 4.825 4.527 -0.001 0.000 0.294 200 F C 1.908 177.811 175.800 0.172 0.000 1.189 200 F CA -0.528 57.586 58.000 0.189 0.000 1.369 200 F CB 0.289 39.397 39.000 0.180 0.000 0.961 200 F HN 0.531 nan 8.300 nan 0.000 0.508 201 R N -0.652 120.030 120.500 0.302 0.000 2.092 201 R HA -0.068 4.271 4.340 -0.000 0.000 0.231 201 R C 0.934 177.321 176.300 0.146 0.000 1.119 201 R CA 1.443 57.681 56.100 0.229 0.000 0.970 201 R CB -0.346 30.078 30.300 0.206 0.000 0.864 201 R HN 0.130 nan 8.270 nan 0.000 0.440 202 N N 1.112 119.889 118.700 0.128 0.000 2.336 202 N HA -0.037 4.703 4.740 -0.000 0.000 0.189 202 N C -0.418 175.157 175.510 0.108 0.000 1.113 202 N CA 0.234 53.338 53.050 0.089 0.000 0.858 202 N CB -0.033 38.487 38.487 0.055 0.000 0.970 202 N HN 0.323 nan 8.380 nan 0.000 0.471 203 D N 0.623 121.124 120.400 0.168 0.000 2.458 203 D HA 0.062 4.702 4.640 -0.000 0.000 0.243 203 D C 0.939 177.299 176.300 0.101 0.000 1.146 203 D CA -0.065 54.032 54.000 0.161 0.000 0.877 203 D CB 1.452 42.389 40.800 0.229 0.000 1.176 203 D HN 0.116 nan 8.370 nan 0.000 0.461 204 A N 3.697 126.560 122.820 0.072 0.000 1.902 204 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 204 A C 2.178 179.785 177.584 0.038 0.000 1.181 204 A CA 1.226 53.291 52.037 0.046 0.000 0.623 204 A CB -0.260 18.760 19.000 0.035 0.000 0.818 204 A HN 0.523 nan 8.150 nan 0.000 0.443 205 V N -0.469 119.469 119.914 0.040 0.000 2.374 205 V HA -0.133 3.986 4.120 -0.000 0.000 0.241 205 V C 2.359 178.476 176.094 0.038 0.000 1.034 205 V CA 2.032 64.350 62.300 0.030 0.000 1.037 205 V CB -0.558 31.277 31.823 0.020 0.000 0.682 205 V HN 0.496 nan 8.190 nan 0.000 0.463 206 K N -0.212 120.225 120.400 0.062 0.000 2.057 206 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 206 K C 0.634 177.264 176.600 0.049 0.000 1.050 206 K CA 0.594 56.932 56.287 0.085 0.000 0.935 206 K CB -0.190 32.397 32.500 0.145 0.000 0.715 206 K HN 0.443 nan 8.250 nan 0.000 0.439 207 Q N 1.535 121.378 119.800 0.072 0.000 2.402 207 Q HA -0.211 4.129 4.340 -0.000 0.000 0.356 207 Q C -1.144 174.883 176.000 0.045 0.000 1.344 207 Q CA 0.367 56.205 55.803 0.058 0.000 1.062 207 Q CB -1.538 27.213 28.738 0.023 0.000 1.268 207 Q HN 0.385 nan 8.270 nan 0.000 0.383 208 E N -0.058 120.197 120.200 0.091 0.000 2.529 208 E HA 0.100 4.450 4.350 -0.000 0.000 0.259 208 E C 0.664 177.254 176.600 -0.016 0.000 0.966 208 E CA 0.685 57.091 56.400 0.010 0.000 0.937 208 E CB 0.518 30.283 29.700 0.109 0.000 0.923 208 E HN 0.426 nan 8.360 nan 0.000 0.468 209 G N 2.640 111.357 108.800 -0.139 0.000 2.415 209 G HA2 0.495 4.454 3.960 -0.000 0.000 0.327 209 G HA3 0.495 4.454 3.960 -0.000 0.000 0.327 209 G C -1.124 173.599 174.900 -0.296 0.000 1.182 209 G CA -0.593 44.452 45.100 -0.092 0.000 0.924 209 G HN 0.323 nan 8.290 nan 0.000 0.470 210 F N 1.616 121.430 119.950 -0.227 0.000 2.375 210 F HA 0.464 4.991 4.527 -0.001 0.000 0.361 210 F C -0.177 175.444 175.800 -0.298 0.000 1.117 210 F CA -0.541 57.354 58.000 -0.175 0.000 1.037 210 F CB 1.411 40.321 39.000 -0.150 0.000 1.192 210 F HN 0.369 nan 8.300 nan 0.000 0.452 211 Y N 0.809 121.076 120.300 -0.056 0.000 2.631 211 Y HA 0.811 5.360 4.550 -0.001 0.000 0.328 211 Y C 0.950 176.808 175.900 -0.069 0.000 1.118 211 Y CA -0.305 57.767 58.100 -0.046 0.000 1.206 211 Y CB 1.609 40.032 38.460 -0.061 0.000 1.337 211 Y HN 0.750 nan 8.280 nan 0.000 0.515 212 G N -0.002 108.902 108.800 0.174 0.000 2.516 212 G HA2 0.207 4.167 3.960 -0.000 0.000 0.220 212 G HA3 0.207 4.167 3.960 -0.000 0.000 0.220 212 G C 0.105 175.100 174.900 0.159 0.000 1.165 212 G CA -0.083 45.110 45.100 0.155 0.000 1.013 212 G HN 1.900 nan 8.290 nan 0.000 0.590 213 A N -1.104 121.834 122.820 0.196 0.000 2.930 213 A HA 0.449 4.768 4.320 -0.000 0.000 0.273 213 A C 2.031 179.720 177.584 0.176 0.000 1.435 213 A CA 1.415 53.550 52.037 0.164 0.000 0.780 213 A CB -1.796 17.249 19.000 0.074 0.000 1.034 213 A HN 3.297 nan 8.150 nan 0.000 0.562 214 G N -0.760 108.183 108.800 0.238 0.000 2.596 214 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.304 214 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.304 214 G C 0.411 175.392 174.900 0.135 0.000 1.189 214 G CA 1.040 46.284 45.100 0.240 0.000 0.986 214 G HN 1.337 nan 8.290 nan 0.000 0.548 215 E N -0.098 120.169 120.200 0.111 0.000 2.501 215 E HA 0.441 4.791 4.350 -0.000 0.000 0.200 215 E C 0.605 177.194 176.600 -0.018 0.000 1.016 215 E CA -0.280 56.133 56.400 0.022 0.000 0.921 215 E CB 0.891 30.587 29.700 -0.006 0.000 1.034 215 E HN 0.339 nan 8.360 nan 0.000 0.468 216 V N 2.889 122.822 119.914 0.030 0.000 2.694 216 V HA -0.087 4.033 4.120 -0.000 0.000 0.306 216 V C 0.396 176.512 176.094 0.036 0.000 1.054 216 V CA 0.262 62.579 62.300 0.028 0.000 1.161 216 V CB 0.343 32.204 31.823 0.063 0.000 0.916 216 V HN 0.315 nan 8.190 nan 0.000 0.490 217 N N 2.832 121.558 118.700 0.043 0.000 2.443 217 N HA 0.489 5.228 4.740 -0.000 0.000 0.295 217 N C -0.814 174.834 175.510 0.229 0.000 1.076 217 N CA -0.267 52.861 53.050 0.130 0.000 0.919 217 N CB 1.837 40.386 38.487 0.104 0.000 1.176 217 N HN 0.720 nan 8.380 nan 0.000 0.487 218 C N 1.743 121.226 119.300 0.304 0.000 2.701 218 C HA 0.349 4.808 4.460 -0.000 0.000 0.336 218 C C -0.452 174.616 174.990 0.130 0.000 1.123 218 C CA -0.864 58.308 59.018 0.257 0.000 1.326 218 C CB 0.679 28.541 27.740 0.203 0.000 1.833 218 C HN 0.686 nan 8.230 nan 0.000 0.473 219 K N 3.442 123.811 120.400 -0.051 0.000 2.143 219 K HA 0.475 4.794 4.320 -0.000 0.000 0.272 219 K C -1.778 174.826 176.600 0.008 0.000 1.001 219 K CA -0.353 55.725 56.287 -0.348 0.000 0.915 219 K CB 1.139 33.315 32.500 -0.541 0.000 1.047 219 K HN 0.760 nan 8.250 nan 0.000 0.458 220 Y N 4.634 124.862 120.300 -0.121 0.000 2.326 220 Y HA 0.105 4.655 4.550 -0.001 0.000 0.329 220 Y C 0.302 176.199 175.900 -0.006 0.000 0.973 220 Y CA -0.055 58.029 58.100 -0.026 0.000 1.162 220 Y CB 0.714 39.175 38.460 0.001 0.000 1.147 220 Y HN 0.962 nan 8.280 nan 0.000 0.456 221 Q N 1.961 121.460 119.800 -0.501 0.000 2.024 221 Q HA -0.356 3.983 4.340 -0.000 0.000 0.378 221 Q C -0.079 175.855 176.000 -0.112 0.000 0.665 221 Q CA 2.172 57.762 55.803 -0.355 0.000 0.962 221 Q CB -0.976 27.479 28.738 -0.472 0.000 2.463 221 Q HN 0.776 nan 8.270 nan 0.000 0.806 222 D N 0.654 121.053 120.400 -0.003 0.000 2.349 222 D HA 0.146 4.786 4.640 -0.000 0.000 0.214 222 D C -0.206 176.303 176.300 0.349 0.000 1.063 222 D CA 0.619 54.719 54.000 0.167 0.000 0.847 222 D CB 0.545 41.439 40.800 0.157 0.000 0.933 222 D HN 0.186 nan 8.370 nan 0.000 0.513 223 T N 0.322 115.007 114.554 0.217 0.000 2.841 223 T HA 0.292 4.642 4.350 -0.000 0.000 0.285 223 T C -0.480 174.271 174.700 0.085 0.000 0.991 223 T CA -0.562 61.705 62.100 0.280 0.000 0.966 223 T CB 1.366 70.474 68.868 0.400 0.000 0.962 223 T HN -0.157 nan 8.240 nan 0.000 0.438 224 Y N 3.191 123.543 120.300 0.086 0.000 2.377 224 Y HA 0.484 5.034 4.550 -0.000 0.000 0.330 224 Y C 0.868 176.817 175.900 0.083 0.000 1.108 224 Y CA -0.785 57.359 58.100 0.073 0.000 1.308 224 Y CB 0.347 38.814 38.460 0.011 0.000 1.216 224 Y HN 0.568 nan 8.280 nan 0.000 0.518 225 I N 0.567 121.255 120.570 0.196 0.000 3.023 225 I HA 0.389 4.559 4.170 -0.000 0.000 0.312 225 I C 0.032 176.219 176.117 0.116 0.000 1.056 225 I CA -1.019 60.363 61.300 0.136 0.000 1.033 225 I CB 1.561 39.612 38.000 0.085 0.000 1.233 225 I HN 0.531 nan 8.210 nan 0.000 0.462 226 L N 1.784 123.062 121.223 0.092 0.000 2.034 226 L HA 0.242 4.581 4.340 -0.000 0.000 0.203 226 L C 1.251 178.129 176.870 0.012 0.000 1.074 226 L CA 1.393 56.289 54.840 0.093 0.000 0.748 226 L CB -0.470 41.681 42.059 0.152 0.000 0.905 226 L HN 0.800 nan 8.230 nan 0.000 0.439 227 E N 0.173 120.310 120.200 -0.105 0.000 2.442 227 E HA -0.061 4.289 4.350 -0.000 0.000 0.262 227 E C -0.217 176.256 176.600 -0.212 0.000 1.004 227 E CA -0.054 56.136 56.400 -0.349 0.000 0.928 227 E CB 0.417 29.856 29.700 -0.435 0.000 0.937 227 E HN 0.148 nan 8.360 nan 0.000 0.446 228 R N 2.829 123.190 120.500 -0.232 0.000 2.997 228 R HA 0.188 4.528 4.340 -0.000 0.000 0.358 228 R C -0.798 175.418 176.300 -0.141 0.000 1.191 228 R CA -0.159 55.863 56.100 -0.131 0.000 1.113 228 R CB 0.551 30.812 30.300 -0.065 0.000 1.433 228 R HN 0.307 nan 8.270 nan 0.000 0.584 229 T N -0.335 114.126 114.554 -0.154 0.000 2.795 229 T HA 0.429 4.779 4.350 -0.000 0.000 0.282 229 T C 0.844 175.427 174.700 -0.195 0.000 0.980 229 T CA 0.290 62.320 62.100 -0.117 0.000 1.012 229 T CB 1.605 70.466 68.868 -0.012 0.000 0.936 229 T HN 0.596 nan 8.240 nan 0.000 0.457 230 G N 3.039 111.688 108.800 -0.251 0.000 2.171 230 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.238 230 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.238 230 G C -0.029 174.684 174.900 -0.311 0.000 1.039 230 G CA 0.250 45.209 45.100 -0.234 0.000 0.759 230 G HN 0.979 nan 8.290 nan 0.000 0.501 231 I N -3.539 116.815 120.570 -0.360 0.000 2.894 231 I HA 0.883 5.053 4.170 -0.000 0.000 0.302 231 I C -0.052 175.955 176.117 -0.182 0.000 1.188 231 I CA -1.387 59.640 61.300 -0.456 0.000 1.014 231 I CB 2.273 39.784 38.000 -0.814 0.000 1.242 231 I HN 0.527 nan 8.210 nan 0.000 0.430 232 A N 6.387 129.271 122.820 0.108 0.000 2.253 232 A HA 0.838 5.157 4.320 -0.000 0.000 0.316 232 A C -0.431 177.345 177.584 0.319 0.000 1.327 232 A CA -0.479 51.684 52.037 0.210 0.000 0.917 232 A CB 0.475 19.690 19.000 0.359 0.000 1.162 232 A HN 0.795 nan 8.150 nan 0.000 0.535 233 M N 1.186 120.871 119.600 0.142 0.000 2.662 233 M HA 0.586 5.066 4.480 -0.000 0.000 0.310 233 M C -0.030 176.298 176.300 0.047 0.000 1.204 233 M CA -0.386 54.987 55.300 0.121 0.000 0.891 233 M CB 2.637 35.273 32.600 0.059 0.000 1.732 233 M HN 0.603 nan 8.290 nan 0.000 0.467 234 T N 0.469 115.012 114.554 -0.018 0.000 2.903 234 T HA 0.488 4.838 4.350 -0.000 0.000 0.299 234 T C -1.509 173.107 174.700 -0.140 0.000 1.093 234 T CA -0.885 61.109 62.100 -0.176 0.000 1.002 234 T CB 1.072 69.782 68.868 -0.264 0.000 1.127 234 T HN 0.675 nan 8.240 nan 0.000 0.488 235 N N 3.246 121.824 118.700 -0.203 0.000 2.511 235 N HA 0.296 5.035 4.740 -0.000 0.000 0.249 235 N C -1.749 173.716 175.510 -0.075 0.000 0.971 235 N CA -0.256 52.732 53.050 -0.102 0.000 0.938 235 N CB 1.373 39.816 38.487 -0.072 0.000 1.131 235 N HN 0.617 nan 8.380 nan 0.000 0.505 236 Y N 2.332 122.518 120.300 -0.191 0.000 2.520 236 Y HA 0.211 4.761 4.550 -0.000 0.000 0.339 236 Y C -0.677 175.150 175.900 -0.123 0.000 1.113 236 Y CA -0.817 57.167 58.100 -0.192 0.000 1.255 236 Y CB 0.052 38.364 38.460 -0.245 0.000 1.099 236 Y HN 0.304 nan 8.280 nan 0.000 0.628 237 N N 3.219 121.790 118.700 -0.215 0.000 2.223 237 N HA -0.100 4.639 4.740 -0.000 0.000 0.271 237 N C -1.271 174.207 175.510 -0.054 0.000 1.315 237 N CA 1.186 54.164 53.050 -0.120 0.000 0.835 237 N CB -0.003 38.425 38.487 -0.098 0.000 1.066 237 N HN 0.539 nan 8.380 nan 0.000 0.486 238 Y N 0.252 120.405 120.300 -0.245 0.000 2.512 238 Y HA 0.132 4.682 4.550 -0.000 0.000 0.348 238 Y C 0.009 175.763 175.900 -0.243 0.000 0.990 238 Y CA -1.483 56.483 58.100 -0.223 0.000 1.033 238 Y CB 1.407 39.761 38.460 -0.178 0.000 1.259 238 Y HN 0.367 nan 8.280 nan 0.000 0.461 239 D N 2.485 122.622 120.400 -0.439 0.000 2.736 239 D HA -0.053 4.587 4.640 -0.000 0.000 0.228 239 D C -0.226 176.032 176.300 -0.070 0.000 1.077 239 D CA 0.435 54.322 54.000 -0.189 0.000 1.096 239 D CB -0.751 39.895 40.800 -0.257 0.000 1.138 239 D HN 0.367 nan 8.370 nan 0.000 0.461 240 N N 2.410 121.018 118.700 -0.154 0.000 3.331 240 N HA 0.036 4.775 4.740 -0.000 0.000 0.303 240 N C -0.433 175.213 175.510 0.225 0.000 1.326 240 N CA -0.452 52.627 53.050 0.048 0.000 1.207 240 N CB -0.416 38.031 38.487 -0.066 0.000 1.477 240 N HN 0.389 nan 8.380 nan 0.000 0.541 241 L N 2.089 123.480 121.223 0.279 0.000 2.660 241 L HA -0.041 4.299 4.340 -0.000 0.000 0.272 241 L C 0.130 177.177 176.870 0.295 0.000 1.194 241 L CA 0.668 55.703 54.840 0.325 0.000 0.945 241 L CB -0.358 41.860 42.059 0.264 0.000 1.212 241 L HN 0.669 nan 8.230 nan 0.000 0.490 242 N N 2.981 121.838 118.700 0.263 0.000 2.925 242 N HA -0.260 4.479 4.740 -0.000 0.000 0.244 242 N C -0.445 175.259 175.510 0.323 0.000 1.000 242 N CA 0.768 53.911 53.050 0.155 0.000 0.895 242 N CB -0.888 37.712 38.487 0.189 0.000 1.119 242 N HN 0.793 nan 8.380 nan 0.000 0.569 243 Y N -2.993 117.502 120.300 0.324 0.000 4.881 243 Y HA -0.287 4.263 4.550 -0.001 0.000 0.241 243 Y C 0.570 176.558 175.900 0.148 0.000 0.985 243 Y CA 1.215 59.438 58.100 0.204 0.000 1.976 243 Y CB -2.614 35.956 38.460 0.184 0.000 1.528 243 Y HN 0.709 nan 8.280 nan 0.000 0.581 244 N N -1.482 117.409 118.700 0.320 0.000 2.598 244 N HA 0.098 4.838 4.740 -0.000 0.000 0.295 244 N C -0.575 175.105 175.510 0.284 0.000 1.729 244 N CA -0.293 52.912 53.050 0.259 0.000 0.877 244 N CB 0.222 38.867 38.487 0.264 0.000 1.405 244 N HN 0.078 nan 8.380 nan 0.000 0.491 245 Q N 0.424 120.397 119.800 0.289 0.000 2.274 245 Q HA -0.080 4.260 4.340 -0.000 0.000 0.280 245 Q C 0.841 177.060 176.000 0.364 0.000 1.047 245 Q CA -0.015 55.992 55.803 0.340 0.000 0.907 245 Q CB 1.035 30.003 28.738 0.385 0.000 1.171 245 Q HN 0.554 nan 8.270 nan 0.000 0.381 246 W N 4.490 125.895 121.300 0.175 0.000 2.304 246 W HA -0.265 4.395 4.660 -0.000 0.000 0.315 246 W C 0.893 177.497 176.519 0.142 0.000 1.233 246 W CA 1.962 59.392 57.345 0.142 0.000 1.261 246 W CB 0.184 29.722 29.460 0.130 0.000 1.150 246 W HN 0.735 nan 8.180 nan 0.000 0.494 247 D N 0.532 121.076 120.400 0.239 0.000 2.384 247 D HA -0.182 4.458 4.640 -0.000 0.000 0.222 247 D C 1.459 177.876 176.300 0.195 0.000 0.976 247 D CA 1.014 55.092 54.000 0.130 0.000 0.915 247 D CB -1.130 39.821 40.800 0.251 0.000 0.896 247 D HN 0.278 nan 8.370 nan 0.000 0.523 248 L N 0.420 121.735 121.223 0.154 0.000 2.848 248 L HA 0.225 4.565 4.340 -0.000 0.000 0.240 248 L C 0.894 177.847 176.870 0.139 0.000 1.232 248 L CA -0.637 54.292 54.840 0.147 0.000 1.031 248 L CB -0.287 41.759 42.059 -0.022 0.000 1.338 248 L HN -0.042 nan 8.230 nan 0.000 0.509 249 R N 0.055 120.498 120.500 -0.095 0.000 2.490 249 R HA 0.457 4.796 4.340 -0.000 0.000 0.278 249 R C -2.573 173.460 176.300 -0.445 0.000 1.069 249 R CA -1.700 54.223 56.100 -0.294 0.000 1.080 249 R CB -0.239 29.679 30.300 -0.637 0.000 1.030 249 R HN -0.174 nan 8.270 nan 0.000 0.491 250 P HA 0.093 nan 4.420 nan 0.000 0.268 250 P C -2.437 174.318 177.300 -0.909 0.000 1.208 250 P CA -1.049 61.257 63.100 -1.325 0.000 0.777 250 P CB -0.123 31.136 31.700 -0.736 0.000 0.875 251 P HA -0.058 nan 4.420 nan 0.000 0.260 251 P C -0.500 176.601 177.300 -0.332 0.000 1.172 251 P CA 0.790 63.493 63.100 -0.661 0.000 0.760 251 P CB -0.452 30.917 31.700 -0.552 0.000 0.773 252 H N -1.673 117.276 119.070 -0.202 0.000 2.839 252 H HA -0.240 4.316 4.556 -0.000 0.000 0.298 252 H C 0.248 175.525 175.328 -0.084 0.000 1.224 252 H CA 0.293 56.274 56.048 -0.111 0.000 1.144 252 H CB -2.380 27.335 29.762 -0.078 0.000 1.372 252 H HN 0.615 nan 8.280 nan 0.000 0.408 253 H N 0.869 119.854 119.070 -0.142 0.000 2.767 253 H HA 0.311 4.867 4.556 -0.001 0.000 0.316 253 H C -0.204 175.134 175.328 0.015 0.000 1.059 253 H CA -0.223 55.766 56.048 -0.098 0.000 1.461 253 H CB 0.661 30.307 29.762 -0.194 0.000 1.475 253 H HN 0.283 nan 8.280 nan 0.000 0.531 254 D N 3.168 123.331 120.400 -0.396 0.000 2.278 254 D HA 0.499 5.139 4.640 -0.000 0.000 0.245 254 D C -0.034 176.184 176.300 -0.136 0.000 1.052 254 D CA 0.984 54.916 54.000 -0.114 0.000 0.834 254 D CB 1.575 42.346 40.800 -0.047 0.000 1.194 254 D HN 0.999 nan 8.370 nan 0.000 0.481 255 G N 1.303 110.203 108.800 0.167 0.000 2.796 255 G HA2 0.243 4.203 3.960 -0.000 0.000 0.571 255 G HA3 0.243 4.203 3.960 -0.000 0.000 0.571 255 G C 0.044 175.198 174.900 0.424 0.000 1.370 255 G CA -0.579 44.644 45.100 0.205 0.000 0.856 255 G HN 0.881 nan 8.290 nan 0.000 0.538 256 A N -0.761 122.256 122.820 0.328 0.000 2.608 256 A HA 0.372 4.692 4.320 -0.000 0.000 0.246 256 A C 0.621 178.555 177.584 0.584 0.000 0.998 256 A CA 1.332 53.596 52.037 0.379 0.000 0.796 256 A CB 0.113 19.267 19.000 0.256 0.000 0.895 256 A HN 2.290 nan 8.150 nan 0.000 0.508 257 L N 3.756 125.313 121.223 0.558 0.000 2.264 257 L HA 0.416 4.756 4.340 -0.000 0.000 0.289 257 L C -0.344 176.691 176.870 0.275 0.000 1.044 257 L CA -0.381 54.649 54.840 0.317 0.000 0.807 257 L CB 0.693 42.851 42.059 0.165 0.000 1.192 257 L HN 0.665 nan 8.230 nan 0.000 0.425 258 N N 6.263 125.109 118.700 0.242 0.000 2.524 258 N HA 0.440 5.180 4.740 -0.000 0.000 0.283 258 N C -2.575 173.041 175.510 0.175 0.000 1.142 258 N CA -1.669 51.521 53.050 0.233 0.000 0.984 258 N CB 0.662 39.293 38.487 0.241 0.000 1.155 258 N HN 0.469 nan 8.380 nan 0.000 0.467 259 P HA 0.188 nan 4.420 nan 0.000 0.271 259 P C -0.615 176.789 177.300 0.173 0.000 1.216 259 P CA 0.353 63.553 63.100 0.167 0.000 0.771 259 P CB 0.910 32.722 31.700 0.186 0.000 0.864 260 D N 0.783 121.152 120.400 -0.051 0.000 2.738 260 D HA 0.036 4.675 4.640 -0.000 0.000 0.308 260 D C 0.461 176.554 176.300 -0.345 0.000 1.311 260 D CA -0.416 53.468 54.000 -0.193 0.000 0.799 260 D CB 0.158 40.680 40.800 -0.464 0.000 1.332 260 D HN 0.310 nan 8.370 nan 0.000 0.441 261 Y N 0.303 120.490 120.300 -0.188 0.000 2.483 261 Y HA -0.030 4.520 4.550 -0.000 0.000 0.291 261 Y C 1.029 176.950 175.900 0.035 0.000 1.143 261 Y CA 0.995 59.082 58.100 -0.022 0.000 1.289 261 Y CB -0.895 37.619 38.460 0.090 0.000 0.983 261 Y HN 0.335 nan 8.280 nan 0.000 0.556 262 Y N -0.186 120.055 120.300 -0.099 0.000 2.683 262 Y HA 0.596 5.146 4.550 -0.000 0.000 0.297 262 Y C -0.578 175.346 175.900 0.039 0.000 1.147 262 Y CA -1.902 56.205 58.100 0.012 0.000 1.274 262 Y CB -0.682 37.781 38.460 0.006 0.000 1.143 262 Y HN 0.008 nan 8.280 nan 0.000 0.527 263 I N 4.261 124.793 120.570 -0.063 0.000 2.447 263 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 263 I C -2.426 173.671 176.117 -0.033 0.000 1.023 263 I CA -2.488 58.797 61.300 -0.026 0.000 1.083 263 I CB 2.366 40.316 38.000 -0.083 0.000 1.245 263 I HN -0.076 nan 8.210 nan 0.000 0.434 264 P HA 0.208 nan 4.420 nan 0.000 0.271 264 P C -0.716 176.533 177.300 -0.084 0.000 1.233 264 P CA -0.156 62.908 63.100 -0.061 0.000 0.789 264 P CB 1.226 32.879 31.700 -0.078 0.000 0.951 265 M N -0.097 119.450 119.600 -0.088 0.000 2.555 265 M HA 0.221 4.700 4.480 -0.000 0.000 0.265 265 M C 1.411 177.601 176.300 -0.182 0.000 1.020 265 M CA -0.353 54.840 55.300 -0.178 0.000 1.162 265 M CB -0.352 32.183 32.600 -0.107 0.000 1.557 265 M HN 0.229 nan 8.290 nan 0.000 0.643 266 Y N -1.059 119.249 120.300 0.013 0.000 2.347 266 Y HA 0.051 4.600 4.550 -0.000 0.000 0.294 266 Y C 0.603 176.546 175.900 0.072 0.000 1.117 266 Y CA 0.683 58.787 58.100 0.006 0.000 1.184 266 Y CB 0.062 38.477 38.460 -0.075 0.000 1.047 266 Y HN 0.313 nan 8.280 nan 0.000 0.546 267 Y N 0.671 121.031 120.300 0.100 0.000 2.323 267 Y HA 0.612 5.161 4.550 -0.001 0.000 0.331 267 Y C -0.209 175.730 175.900 0.065 0.000 1.092 267 Y CA -2.132 56.007 58.100 0.065 0.000 1.150 267 Y CB 0.878 39.361 38.460 0.038 0.000 1.200 267 Y HN -0.077 nan 8.280 nan 0.000 0.472 268 A N 4.725 127.366 122.820 -0.299 0.000 2.366 268 A HA 0.686 5.006 4.320 -0.000 0.000 0.322 268 A C -0.518 176.961 177.584 -0.176 0.000 1.397 268 A CA -0.122 51.843 52.037 -0.120 0.000 0.984 268 A CB -0.736 18.282 19.000 0.030 0.000 1.149 268 A HN 0.895 nan 8.150 nan 0.000 0.540 269 A N 4.930 127.741 122.820 -0.014 0.000 2.923 269 A HA 0.638 4.957 4.320 -0.000 0.000 0.343 269 A C -2.559 175.135 177.584 0.184 0.000 1.199 269 A CA -1.433 50.656 52.037 0.087 0.000 0.878 269 A CB 0.150 19.295 19.000 0.241 0.000 1.104 269 A HN 0.498 nan 8.150 nan 0.000 0.483 270 P HA 0.062 nan 4.420 nan 0.000 0.241 270 P C -0.707 176.785 177.300 0.319 0.000 1.760 270 P CA 0.469 63.660 63.100 0.152 0.000 1.081 270 P CB -0.583 31.165 31.700 0.080 0.000 1.975 271 W N 5.374 126.696 121.300 0.037 0.000 3.615 271 W HA 0.405 5.065 4.660 -0.000 0.000 0.319 271 W C -2.589 173.946 176.519 0.028 0.000 1.172 271 W CA -0.754 56.623 57.345 0.053 0.000 1.240 271 W CB 1.245 30.750 29.460 0.075 0.000 1.313 271 W HN -0.106 nan 8.180 nan 0.000 0.487 272 L N 6.540 127.417 121.223 -0.577 0.000 2.370 272 L HA 0.591 4.930 4.340 -0.000 0.000 0.266 272 L C -0.133 176.193 176.870 -0.906 0.000 1.002 272 L CA -1.258 53.256 54.840 -0.543 0.000 0.818 272 L CB 2.563 44.574 42.059 -0.079 0.000 1.325 272 L HN 0.283 nan 8.230 nan 0.000 0.418 273 I N 2.172 122.359 120.570 -0.639 0.000 2.354 273 I HA 0.380 4.549 4.170 -0.000 0.000 0.292 273 I C -0.459 175.421 176.117 -0.395 0.000 0.989 273 I CA -0.845 60.140 61.300 -0.525 0.000 1.188 273 I CB 2.001 39.812 38.000 -0.315 0.000 1.342 273 I HN 0.171 nan 8.210 nan 0.000 0.457 274 V N 5.397 124.933 119.914 -0.630 0.000 2.427 274 V HA 0.340 4.460 4.120 -0.000 0.000 0.286 274 V C -0.261 175.502 176.094 -0.552 0.000 1.034 274 V CA -0.494 61.323 62.300 -0.806 0.000 0.893 274 V CB 1.556 32.561 31.823 -1.363 0.000 0.982 274 V HN 0.672 nan 8.190 nan 0.000 0.452 275 N N 2.800 121.234 118.700 -0.443 0.000 2.399 275 N HA 0.716 5.456 4.740 -0.000 0.000 0.284 275 N C -0.294 174.926 175.510 -0.482 0.000 1.025 275 N CA -0.049 52.762 53.050 -0.399 0.000 0.885 275 N CB 1.975 40.304 38.487 -0.263 0.000 1.339 275 N HN 0.866 nan 8.380 nan 0.000 0.487 276 G N 0.557 108.823 108.800 -0.891 0.000 2.533 276 G HA2 0.433 4.393 3.960 -0.000 0.000 0.304 276 G HA3 0.433 4.393 3.960 -0.000 0.000 0.304 276 G C -0.088 174.435 174.900 -0.628 0.000 1.263 276 G CA -0.531 44.049 45.100 -0.866 0.000 0.964 276 G HN 0.799 nan 8.290 nan 0.000 0.479 277 C N -0.312 118.863 119.300 -0.208 0.000 4.274 277 C HA -0.090 4.370 4.460 -0.000 0.000 0.297 277 C C 1.695 176.632 174.990 -0.088 0.000 1.446 277 C CA -0.244 58.736 59.018 -0.063 0.000 2.016 277 C CB -2.731 25.044 27.740 0.058 0.000 1.273 277 C HN 1.435 nan 8.230 nan 0.000 0.782 278 A N -0.199 122.550 122.820 -0.118 0.000 2.555 278 A HA 0.422 4.742 4.320 -0.000 0.000 0.233 278 A C 1.604 179.158 177.584 -0.050 0.000 1.060 278 A CA 1.336 53.314 52.037 -0.098 0.000 0.759 278 A CB -0.159 18.789 19.000 -0.086 0.000 0.995 278 A HN 2.435 nan 8.150 nan 0.000 0.506 279 G N 0.896 109.675 108.800 -0.035 0.000 2.168 279 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.263 279 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.263 279 G C 0.483 175.381 174.900 -0.004 0.000 0.977 279 G CA 1.470 46.566 45.100 -0.007 0.000 0.659 279 G HN 2.367 nan 8.290 nan 0.000 0.533 280 T N -3.108 111.439 114.554 -0.012 0.000 2.930 280 T HA 0.689 5.039 4.350 -0.000 0.000 0.290 280 T C 1.525 176.224 174.700 -0.002 0.000 1.052 280 T CA 0.737 62.835 62.100 -0.003 0.000 1.017 280 T CB 1.528 70.397 68.868 0.001 0.000 1.137 280 T HN 1.250 nan 8.240 nan 0.000 0.511 281 S N -0.132 115.568 115.700 -0.000 0.000 2.488 281 S HA -0.145 4.325 4.470 -0.000 0.000 0.246 281 S C 0.912 175.519 174.600 0.013 0.000 0.992 281 S CA 1.272 59.472 58.200 0.000 0.000 0.963 281 S CB -0.691 62.508 63.200 -0.003 0.000 0.754 281 S HN 0.793 nan 8.310 nan 0.000 0.519 282 E N 0.575 120.791 120.200 0.027 0.000 2.501 282 E HA 0.245 4.594 4.350 -0.000 0.000 0.201 282 E C 0.295 176.966 176.600 0.118 0.000 1.016 282 E CA -0.216 56.218 56.400 0.058 0.000 0.920 282 E CB 0.172 29.903 29.700 0.051 0.000 1.023 282 E HN 0.743 nan 8.360 nan 0.000 0.474 283 Q N 1.196 121.030 119.800 0.057 0.000 2.310 283 Q HA -0.042 4.298 4.340 -0.000 0.000 0.315 283 Q C -0.918 175.145 176.000 0.106 0.000 1.081 283 Q CA 0.272 56.081 55.803 0.011 0.000 0.981 283 Q CB 0.250 28.964 28.738 -0.040 0.000 1.184 283 Q HN 0.251 nan 8.270 nan 0.000 0.389 284 Y N -0.117 120.183 120.300 -0.000 0.000 2.553 284 Y HA 0.783 5.332 4.550 -0.001 0.000 0.347 284 Y C -1.138 174.783 175.900 0.035 0.000 1.019 284 Y CA -1.131 56.992 58.100 0.038 0.000 1.032 284 Y CB 1.731 40.228 38.460 0.061 0.000 1.284 284 Y HN 0.443 nan 8.280 nan 0.000 0.466 285 S N 2.071 117.897 115.700 0.209 0.000 2.540 285 S HA 0.690 5.160 4.470 -0.000 0.000 0.275 285 S C -2.129 172.590 174.600 0.198 0.000 1.123 285 S CA -0.795 57.443 58.200 0.064 0.000 0.907 285 S CB 1.340 64.540 63.200 -0.001 0.000 1.081 285 S HN 0.895 nan 8.310 nan 0.000 0.476 286 Y N -0.554 119.694 120.300 -0.086 0.000 2.390 286 Y HA 0.698 5.248 4.550 -0.001 0.000 0.324 286 Y C -0.356 175.365 175.900 -0.299 0.000 1.151 286 Y CA -1.119 56.799 58.100 -0.305 0.000 1.053 286 Y CB 0.222 38.365 38.460 -0.527 0.000 1.277 286 Y HN 0.679 nan 8.280 nan 0.000 0.432 287 G N 2.603 111.311 108.800 -0.154 0.000 2.476 287 G HA2 0.362 4.322 3.960 -0.000 0.000 0.269 287 G HA3 0.362 4.322 3.960 -0.000 0.000 0.269 287 G C -1.971 172.901 174.900 -0.047 0.000 1.195 287 G CA -0.475 44.387 45.100 -0.396 0.000 0.843 287 G HN 0.757 nan 8.290 nan 0.000 0.545 288 W N 3.254 124.293 121.300 -0.434 0.000 2.587 288 W HA 0.607 5.267 4.660 -0.001 0.000 0.324 288 W C -2.339 174.224 176.519 0.073 0.000 1.008 288 W CA -2.504 54.798 57.345 -0.072 0.000 1.265 288 W CB 1.445 30.958 29.460 0.090 0.000 1.328 288 W HN 0.246 nan 8.180 nan 0.000 0.432 289 F N 8.203 128.354 119.950 0.336 0.000 2.513 289 F HA 0.451 4.977 4.527 -0.001 0.000 0.358 289 F C -0.776 175.118 175.800 0.158 0.000 1.118 289 F CA -1.316 56.836 58.000 0.253 0.000 1.037 289 F CB 0.955 40.036 39.000 0.135 0.000 1.276 289 F HN 0.211 nan 8.300 nan 0.000 0.446 290 M N 5.297 124.744 119.600 -0.254 0.000 2.143 290 M HA 0.194 4.674 4.480 -0.000 0.000 0.348 290 M C -0.698 175.113 176.300 -0.816 0.000 1.375 290 M CA -0.065 54.959 55.300 -0.460 0.000 1.124 290 M CB 0.242 32.653 32.600 -0.316 0.000 1.669 290 M HN 0.532 nan 8.290 nan 0.000 0.469 291 D N 5.343 125.193 120.400 -0.916 0.000 2.468 291 D HA 0.244 4.884 4.640 -0.000 0.000 0.218 291 D C -1.381 174.760 176.300 -0.266 0.000 1.155 291 D CA 0.311 53.889 54.000 -0.704 0.000 0.924 291 D CB 0.246 40.773 40.800 -0.455 0.000 1.029 291 D HN 0.608 nan 8.370 nan 0.000 0.515 292 N N 2.833 121.430 118.700 -0.172 0.000 2.371 292 N HA 0.104 4.844 4.740 -0.000 0.000 0.280 292 N C 0.013 175.355 175.510 -0.279 0.000 1.084 292 N CA -0.436 52.498 53.050 -0.193 0.000 0.892 292 N CB 2.090 40.481 38.487 -0.160 0.000 1.653 292 N HN 0.061 nan 8.380 nan 0.000 0.480 293 V N 0.141 119.850 119.914 -0.342 0.000 3.427 293 V HA 0.295 4.414 4.120 -0.000 0.000 0.305 293 V C 1.065 177.001 176.094 -0.263 0.000 1.412 293 V CA -0.010 62.022 62.300 -0.447 0.000 1.086 293 V CB -0.357 31.106 31.823 -0.601 0.000 0.964 293 V HN 0.563 nan 8.190 nan 0.000 0.439 294 S N 0.185 115.795 115.700 -0.151 0.000 2.641 294 S HA 0.292 4.762 4.470 -0.000 0.000 0.261 294 S C 0.252 174.801 174.600 -0.084 0.000 1.257 294 S CA -0.211 57.952 58.200 -0.062 0.000 0.983 294 S CB 0.675 63.934 63.200 0.098 0.000 0.990 294 S HN 0.665 nan 8.310 nan 0.000 0.572 295 Q N 0.991 120.776 119.800 -0.025 0.000 2.247 295 Q HA 0.236 4.576 4.340 -0.000 0.000 0.288 295 Q C -0.102 175.654 176.000 -0.407 0.000 1.079 295 Q CA -0.126 55.592 55.803 -0.142 0.000 0.932 295 Q CB 0.150 28.856 28.738 -0.053 0.000 1.133 295 Q HN 0.795 nan 8.270 nan 0.000 0.377 296 S N 3.465 118.874 115.700 -0.486 0.000 2.739 296 S HA 0.718 5.188 4.470 -0.000 0.000 0.306 296 S C -1.228 172.902 174.600 -0.784 0.000 1.115 296 S CA -0.653 57.251 58.200 -0.492 0.000 0.985 296 S CB 1.015 64.089 63.200 -0.210 0.000 1.133 296 S HN 0.579 nan 8.310 nan 0.000 0.541 297 Y N -1.030 119.119 120.300 -0.251 0.000 2.571 297 Y HA 0.650 5.200 4.550 -0.000 0.000 0.341 297 Y C -0.698 175.096 175.900 -0.177 0.000 1.076 297 Y CA -0.996 56.953 58.100 -0.251 0.000 1.029 297 Y CB 2.307 40.510 38.460 -0.428 0.000 1.308 297 Y HN 0.656 nan 8.280 nan 0.000 0.461 298 M N 2.963 122.540 119.600 -0.038 0.000 2.164 298 M HA 0.273 4.752 4.480 -0.000 0.000 0.260 298 M C -1.328 174.793 176.300 -0.299 0.000 0.974 298 M CA -0.226 54.946 55.300 -0.214 0.000 1.020 298 M CB 1.494 33.979 32.600 -0.191 0.000 1.903 298 M HN 0.485 nan 8.290 nan 0.000 0.469 299 N N 1.648 119.992 118.700 -0.593 0.000 2.446 299 N HA 0.393 5.133 4.740 -0.000 0.000 0.265 299 N C -0.252 174.885 175.510 -0.621 0.000 0.975 299 N CA 0.015 52.662 53.050 -0.672 0.000 0.928 299 N CB 1.644 39.401 38.487 -1.216 0.000 1.160 299 N HN 0.735 nan 8.380 nan 0.000 0.495 300 T N -0.294 113.951 114.554 -0.516 0.000 3.243 300 T HA 0.386 4.736 4.350 -0.000 0.000 0.264 300 T C 0.808 175.200 174.700 -0.514 0.000 1.000 300 T CA -0.084 61.591 62.100 -0.708 0.000 0.901 300 T CB -0.154 68.172 68.868 -0.904 0.000 1.083 300 T HN 0.588 nan 8.240 nan 0.000 0.559 301 G N 0.906 109.504 108.800 -0.336 0.000 2.247 301 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.111 301 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.111 301 G C -0.714 174.103 174.900 -0.140 0.000 1.045 301 G CA -0.631 44.350 45.100 -0.199 0.000 0.715 301 G HN 0.533 nan 8.290 nan 0.000 0.485 302 D N 0.953 121.279 120.400 -0.123 0.000 2.317 302 D HA 0.523 5.163 4.640 -0.000 0.000 0.234 302 D C 1.925 178.224 176.300 -0.002 0.000 1.112 302 D CA 0.425 54.390 54.000 -0.058 0.000 0.840 302 D CB 1.099 41.902 40.800 0.005 0.000 1.078 302 D HN 0.191 nan 8.370 nan 0.000 0.486 303 T N -0.270 114.268 114.554 -0.027 0.000 3.055 303 T HA -0.029 4.321 4.350 -0.000 0.000 0.265 303 T C 0.963 175.640 174.700 -0.038 0.000 1.111 303 T CA 0.148 62.235 62.100 -0.021 0.000 1.118 303 T CB -0.362 68.483 68.868 -0.039 0.000 0.909 303 T HN 0.284 nan 8.240 nan 0.000 0.501 304 T N 2.859 117.349 114.554 -0.107 0.000 2.908 304 T HA -0.004 4.346 4.350 -0.000 0.000 0.301 304 T C 0.172 174.803 174.700 -0.115 0.000 1.019 304 T CA 0.106 61.969 62.100 -0.395 0.000 1.152 304 T CB -0.322 68.061 68.868 -0.809 0.000 0.966 304 T HN 0.610 nan 8.240 nan 0.000 0.540 305 W N 1.591 122.936 121.300 0.074 0.000 4.233 305 W HA -0.281 4.379 4.660 -0.000 0.000 0.328 305 W C 0.639 177.195 176.519 0.063 0.000 1.212 305 W CA 0.101 57.496 57.345 0.084 0.000 0.752 305 W CB -2.679 26.878 29.460 0.162 0.000 2.277 305 W HN 0.953 nan 8.180 nan 0.000 1.465 306 N N -0.368 118.432 118.700 0.167 0.000 2.716 306 N HA -0.230 4.509 4.740 -0.000 0.000 0.250 306 N C 1.171 176.763 175.510 0.137 0.000 1.033 306 N CA 1.622 54.739 53.050 0.111 0.000 0.727 306 N CB -0.949 37.581 38.487 0.071 0.000 0.950 306 N HN 0.538 nan 8.380 nan 0.000 0.541 307 S N -2.282 113.547 115.700 0.215 0.000 2.425 307 S HA 0.259 4.729 4.470 -0.000 0.000 0.225 307 S C 1.042 175.781 174.600 0.233 0.000 1.024 307 S CA 0.915 59.256 58.200 0.235 0.000 0.951 307 S CB 0.776 64.183 63.200 0.344 0.000 0.796 307 S HN 0.575 nan 8.310 nan 0.000 0.498 308 G N -0.584 108.308 108.800 0.155 0.000 2.721 308 G HA2 0.614 4.573 3.960 -0.000 0.000 0.296 308 G HA3 0.614 4.573 3.960 -0.000 0.000 0.296 308 G C -2.091 172.837 174.900 0.046 0.000 1.383 308 G CA -0.888 44.288 45.100 0.128 0.000 0.788 308 G HN 0.248 nan 8.290 nan 0.000 0.500 309 Q N -0.402 119.412 119.800 0.025 0.000 2.353 309 Q HA 0.303 4.642 4.340 -0.000 0.000 0.268 309 Q C 0.568 176.551 176.000 -0.029 0.000 1.045 309 Q CA -0.698 55.104 55.803 -0.003 0.000 0.811 309 Q CB 2.942 31.681 28.738 0.001 0.000 1.305 309 Q HN 0.682 nan 8.270 nan 0.000 0.447 310 E N 1.156 121.338 120.200 -0.031 0.000 2.136 310 E HA -0.246 4.104 4.350 -0.000 0.000 0.202 310 E C -0.039 176.538 176.600 -0.038 0.000 1.019 310 E CA 1.427 57.805 56.400 -0.038 0.000 0.819 310 E CB 0.233 29.918 29.700 -0.025 0.000 0.739 310 E HN 0.555 nan 8.360 nan 0.000 0.458 311 D N -0.433 119.944 120.400 -0.038 0.000 2.427 311 D HA 0.194 4.834 4.640 -0.000 0.000 0.224 311 D C -0.237 176.017 176.300 -0.076 0.000 1.157 311 D CA 0.204 54.169 54.000 -0.059 0.000 0.828 311 D CB 0.325 41.085 40.800 -0.067 0.000 0.974 311 D HN 0.047 nan 8.370 nan 0.000 0.498 312 L N 0.322 121.522 121.223 -0.038 0.000 2.401 312 L HA 0.700 5.040 4.340 -0.000 0.000 0.266 312 L C -0.448 176.430 176.870 0.013 0.000 0.991 312 L CA -1.000 53.846 54.840 0.010 0.000 0.818 312 L CB 2.276 44.364 42.059 0.050 0.000 1.321 312 L HN -0.187 nan 8.230 nan 0.000 0.413 313 A N 2.087 124.970 122.820 0.104 0.000 2.356 313 A HA 0.923 5.243 4.320 -0.000 0.000 0.323 313 A C -1.559 176.214 177.584 0.316 0.000 1.119 313 A CA -0.362 51.710 52.037 0.059 0.000 0.790 313 A CB 1.520 20.596 19.000 0.127 0.000 1.273 313 A HN 0.680 nan 8.150 nan 0.000 0.452 314 Y N -1.467 118.892 120.300 0.098 0.000 2.670 314 Y HA 0.821 5.370 4.550 -0.001 0.000 0.334 314 Y C -1.177 174.595 175.900 -0.213 0.000 1.185 314 Y CA -1.765 56.412 58.100 0.128 0.000 1.053 314 Y CB 1.075 39.618 38.460 0.138 0.000 1.298 314 Y HN 0.603 nan 8.280 nan 0.000 0.459 315 M N 1.371 121.062 119.600 0.151 0.000 2.572 315 M HA 0.800 5.279 4.480 -0.000 0.000 0.299 315 M C -0.514 175.984 176.300 0.330 0.000 1.205 315 M CA -0.717 54.609 55.300 0.044 0.000 0.876 315 M CB 2.872 35.190 32.600 -0.470 0.000 1.728 315 M HN 1.112 nan 8.290 nan 0.000 0.458 316 G N 0.701 109.696 108.800 0.325 0.000 2.660 316 G HA2 0.882 4.842 3.960 -0.000 0.000 0.290 316 G HA3 0.882 4.842 3.960 -0.000 0.000 0.290 316 G C -2.389 172.658 174.900 0.245 0.000 1.432 316 G CA -0.541 44.804 45.100 0.408 0.000 0.807 316 G HN 0.915 nan 8.290 nan 0.000 0.485 317 A N -0.602 122.388 122.820 0.284 0.000 2.572 317 A HA 0.680 5.000 4.320 -0.000 0.000 0.295 317 A C 0.568 178.299 177.584 0.246 0.000 1.072 317 A CA -0.355 51.769 52.037 0.144 0.000 0.691 317 A CB 1.680 20.702 19.000 0.037 0.000 1.291 317 A HN 0.454 nan 8.150 nan 0.000 0.404 318 Q N -0.457 119.468 119.800 0.208 0.000 2.170 318 Q HA -0.069 4.271 4.340 -0.000 0.000 0.203 318 Q C -0.663 175.341 176.000 0.007 0.000 0.976 318 Q CA 1.750 57.679 55.803 0.210 0.000 0.858 318 Q CB -0.133 28.766 28.738 0.269 0.000 0.907 318 Q HN 0.666 nan 8.270 nan 0.000 0.433 319 Y N -1.414 118.935 120.300 0.082 0.000 2.512 319 Y HA 0.489 5.039 4.550 -0.000 0.000 0.348 319 Y C 0.791 176.706 175.900 0.026 0.000 0.990 319 Y CA -0.834 57.299 58.100 0.056 0.000 1.033 319 Y CB 1.539 40.036 38.460 0.061 0.000 1.259 319 Y HN -0.050 nan 8.280 nan 0.000 0.461 320 G N 2.253 111.129 108.800 0.126 0.000 2.683 320 G HA2 0.367 4.327 3.960 -0.000 0.000 0.260 320 G HA3 0.367 4.327 3.960 -0.000 0.000 0.260 320 G C -2.459 172.477 174.900 0.060 0.000 1.238 320 G CA -0.828 44.291 45.100 0.032 0.000 0.934 320 G HN 0.376 nan 8.290 nan 0.000 0.534 321 P HA 0.347 nan 4.420 nan 0.000 0.282 321 P C -1.281 175.944 177.300 -0.124 0.000 1.287 321 P CA -0.657 62.395 63.100 -0.079 0.000 0.792 321 P CB 0.981 32.660 31.700 -0.034 0.000 1.163 322 F N 0.564 120.243 119.950 -0.452 0.000 2.427 322 F HA 0.477 5.004 4.527 -0.001 0.000 0.346 322 F C -0.656 174.971 175.800 -0.288 0.000 1.120 322 F CA -0.083 57.631 58.000 -0.477 0.000 1.033 322 F CB 0.938 39.284 39.000 -1.091 0.000 1.126 322 F HN 0.130 nan 8.300 nan 0.000 0.462 323 D N 5.411 125.610 120.400 -0.334 0.000 2.369 323 D HA 0.176 4.816 4.640 -0.000 0.000 0.212 323 D C -1.754 174.401 176.300 -0.240 0.000 1.326 323 D CA -0.198 53.733 54.000 -0.117 0.000 0.933 323 D CB 1.207 41.981 40.800 -0.044 0.000 1.516 323 D HN 0.731 nan 8.370 nan 0.000 0.557 324 Q N 1.721 121.416 119.800 -0.175 0.000 2.379 324 Q HA 0.634 4.974 4.340 -0.000 0.000 0.278 324 Q C -1.455 174.352 176.000 -0.322 0.000 1.068 324 Q CA -0.917 54.753 55.803 -0.222 0.000 0.816 324 Q CB 2.094 30.680 28.738 -0.253 0.000 1.387 324 Q HN 0.310 nan 8.270 nan 0.000 0.413 325 H N 0.937 119.866 119.070 -0.235 0.000 2.489 325 H HA 0.538 5.094 4.556 -0.000 0.000 0.343 325 H C -1.484 173.585 175.328 -0.430 0.000 1.086 325 H CA -0.406 55.556 56.048 -0.143 0.000 1.198 325 H CB 1.140 31.044 29.762 0.236 0.000 1.490 325 H HN 0.463 nan 8.280 nan 0.000 0.504 326 F N 2.277 122.222 119.950 -0.009 0.000 2.426 326 F HA 0.440 4.967 4.527 -0.000 0.000 0.348 326 F C -0.448 175.408 175.800 0.094 0.000 1.124 326 F CA -0.876 57.073 58.000 -0.085 0.000 1.008 326 F CB 1.261 40.091 39.000 -0.284 0.000 1.139 326 F HN 0.190 nan 8.300 nan 0.000 0.452 327 V N 4.901 124.909 119.914 0.155 0.000 2.349 327 V HA 0.202 4.322 4.120 -0.000 0.000 0.284 327 V C -0.423 175.748 176.094 0.128 0.000 1.014 327 V CA -0.690 61.775 62.300 0.274 0.000 0.826 327 V CB 0.704 32.727 31.823 0.335 0.000 1.009 327 V HN 0.772 nan 8.190 nan 0.000 0.431 328 Y N 2.695 123.160 120.300 0.276 0.000 2.503 328 Y HA 0.525 5.075 4.550 -0.001 0.000 0.277 328 Y C 1.588 177.603 175.900 0.191 0.000 1.102 328 Y CA 0.513 58.756 58.100 0.238 0.000 1.261 328 Y CB 0.476 39.050 38.460 0.190 0.000 1.096 328 Y HN 0.820 nan 8.280 nan 0.000 0.546 329 G N 0.197 109.195 108.800 0.330 0.000 2.712 329 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.686 329 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.686 329 G C 0.595 175.610 174.900 0.192 0.000 1.321 329 G CA -0.473 44.770 45.100 0.238 0.000 0.813 329 G HN 0.446 nan 8.290 nan 0.000 0.599 330 A N 0.186 123.099 122.820 0.154 0.000 1.969 330 A HA 0.552 4.872 4.320 -0.000 0.000 0.218 330 A C 1.764 179.400 177.584 0.087 0.000 1.169 330 A CA 2.497 54.604 52.037 0.117 0.000 0.635 330 A CB -0.350 18.718 19.000 0.114 0.000 0.810 330 A HN 2.445 nan 8.150 nan 0.000 0.445 331 G N -2.202 106.648 108.800 0.084 0.000 2.714 331 G HA2 0.493 4.453 3.960 -0.000 0.000 0.292 331 G HA3 0.493 4.453 3.960 -0.000 0.000 0.292 331 G C 0.068 175.002 174.900 0.057 0.000 1.308 331 G CA -0.224 44.908 45.100 0.055 0.000 0.964 331 G HN 0.634 nan 8.290 nan 0.000 0.484 332 G N -1.485 107.334 108.800 0.032 0.000 2.398 332 G HA2 0.612 4.572 3.960 -0.000 0.000 0.246 332 G HA3 0.612 4.572 3.960 -0.000 0.000 0.246 332 G C 0.535 175.438 174.900 0.005 0.000 1.289 332 G CA 0.825 45.940 45.100 0.025 0.000 0.869 332 G HN 1.838 nan 8.290 nan 0.000 0.543 333 G N 1.695 110.500 108.800 0.008 0.000 2.764 333 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.678 333 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.678 333 G C 0.724 175.625 174.900 0.001 0.000 1.341 333 G CA -0.096 44.993 45.100 -0.019 0.000 0.836 333 G HN 0.659 nan 8.290 nan 0.000 0.632 334 M N 0.220 119.796 119.600 -0.040 0.000 2.192 334 M HA -0.086 4.394 4.480 -0.000 0.000 0.259 334 M C 1.609 177.931 176.300 0.038 0.000 1.071 334 M CA 1.755 57.027 55.300 -0.046 0.000 1.082 334 M CB -0.201 32.310 32.600 -0.148 0.000 1.373 334 M HN 0.738 nan 8.290 nan 0.000 0.408 338 V N 1.986 122.078 119.914 0.297 0.000 2.282 338 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 338 V C 2.851 179.052 176.094 0.178 0.000 1.057 338 V CA 3.380 65.849 62.300 0.282 0.000 1.032 338 V CB -1.225 30.718 31.823 0.200 0.000 0.645 338 V HN 0.848 nan 8.190 nan 0.000 0.447 339 T N -0.772 113.868 114.554 0.143 0.000 2.737 339 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 339 T C 1.977 176.754 174.700 0.129 0.000 1.038 339 T CA 1.553 63.716 62.100 0.104 0.000 1.144 339 T CB -0.640 68.292 68.868 0.107 0.000 0.866 339 T HN 0.499 nan 8.240 nan 0.000 0.434 340 A N 1.009 123.940 122.820 0.184 0.000 1.940 340 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 340 A C 2.089 179.823 177.584 0.251 0.000 1.176 340 A CA 1.622 53.792 52.037 0.221 0.000 0.631 340 A CB -1.194 17.959 19.000 0.254 0.000 0.814 340 A HN 0.493 nan 8.150 nan 0.000 0.446 341 F N 2.128 122.099 119.950 0.035 0.000 2.102 341 F HA -0.167 4.359 4.527 -0.000 0.000 0.298 341 F C 2.809 178.485 175.800 -0.206 0.000 1.105 341 F CA 1.581 59.496 58.000 -0.142 0.000 1.239 341 F CB -0.862 37.906 39.000 -0.387 0.000 0.991 341 F HN 0.348 nan 8.300 nan 0.000 0.474 342 S N 0.334 115.898 115.700 -0.226 0.000 2.400 342 S HA -0.222 4.248 4.470 -0.000 0.000 0.232 342 S C 2.035 176.542 174.600 -0.155 0.000 1.025 342 S CA 1.286 59.303 58.200 -0.305 0.000 0.993 342 S CB -1.233 61.838 63.200 -0.214 0.000 0.808 342 S HN 0.419 nan 8.310 nan 0.000 0.478 343 L N 1.276 122.484 121.223 -0.026 0.000 2.093 343 L HA 0.206 4.545 4.340 -0.000 0.000 0.208 343 L C 2.180 179.088 176.870 0.064 0.000 1.085 343 L CA 1.383 56.255 54.840 0.052 0.000 0.755 343 L CB -0.573 41.570 42.059 0.140 0.000 0.904 343 L HN 0.331 nan 8.230 nan 0.000 0.435 344 L N -0.741 120.512 121.223 0.051 0.000 2.191 344 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 344 L C 1.654 178.487 176.870 -0.062 0.000 1.103 344 L CA 1.086 55.955 54.840 0.048 0.000 0.769 344 L CB -0.436 41.673 42.059 0.083 0.000 0.908 344 L HN 0.473 nan 8.230 nan 0.000 0.438 345 Q N -0.220 119.473 119.800 -0.179 0.000 2.189 345 Q HA 0.230 4.570 4.340 -0.000 0.000 0.221 345 Q C 0.817 176.760 176.000 -0.093 0.000 0.848 345 Q CA -0.234 55.459 55.803 -0.185 0.000 1.007 345 Q CB 0.523 29.057 28.738 -0.341 0.000 1.116 345 Q HN 0.317 nan 8.270 nan 0.000 0.481 346 G N 0.927 109.695 108.800 -0.054 0.000 2.651 346 G HA2 0.122 4.082 3.960 -0.000 0.000 0.260 346 G HA3 0.122 4.082 3.960 -0.000 0.000 0.260 346 G C 0.527 175.358 174.900 -0.114 0.000 1.216 346 G CA -0.416 44.649 45.100 -0.058 0.000 0.913 346 G HN 0.003 nan 8.290 nan 0.000 0.535 347 K N -0.259 120.009 120.400 -0.221 0.000 2.413 347 K HA 0.120 4.440 4.320 -0.000 0.000 0.204 347 K C 1.683 177.968 176.600 -0.525 0.000 1.041 347 K CA -0.080 55.978 56.287 -0.383 0.000 1.082 347 K CB 0.805 33.041 32.500 -0.441 0.000 0.871 347 K HN 0.527 nan 8.250 nan 0.000 0.535 348 E N 0.863 120.754 120.200 -0.516 0.000 2.200 348 E HA -0.252 4.098 4.350 -0.000 0.000 0.211 348 E C 1.474 177.452 176.600 -1.037 0.000 1.048 348 E CA 2.265 58.123 56.400 -0.903 0.000 0.851 348 E CB -0.721 28.061 29.700 -1.530 0.000 0.747 348 E HN 0.526 nan 8.360 nan 0.000 0.462 349 F N 0.439 119.908 119.950 -0.802 0.000 2.250 349 F HA -0.079 4.448 4.527 -0.000 0.000 0.301 349 F C 1.550 177.202 175.800 -0.246 0.000 1.077 349 F CA 1.166 58.891 58.000 -0.459 0.000 1.348 349 F CB -0.308 38.617 39.000 -0.124 0.000 1.040 349 F HN -0.056 nan 8.300 nan 0.000 0.509 350 E N -0.100 119.499 120.200 -1.003 0.000 2.478 350 E HA -0.044 4.305 4.350 -0.000 0.000 0.194 350 E C -0.086 176.291 176.600 -0.372 0.000 1.045 350 E CA 0.298 56.272 56.400 -0.710 0.000 0.868 350 E CB -0.145 29.070 29.700 -0.808 0.000 0.885 350 E HN 0.355 nan 8.360 nan 0.000 0.505 351 N N 1.978 120.469 118.700 -0.349 0.000 2.780 351 N HA -0.138 4.602 4.740 -0.000 0.000 0.248 351 N C -0.923 174.486 175.510 -0.169 0.000 1.102 351 N CA 0.578 53.509 53.050 -0.200 0.000 0.697 351 N CB -1.003 37.429 38.487 -0.093 0.000 1.028 351 N HN 0.251 nan 8.380 nan 0.000 0.554 352 Q N 0.487 120.149 119.800 -0.229 0.000 2.255 352 Q HA 0.053 4.392 4.340 -0.000 0.000 0.280 352 Q C 1.409 177.354 176.000 -0.091 0.000 1.068 352 Q CA 0.170 55.875 55.803 -0.163 0.000 0.911 352 Q CB 1.287 29.903 28.738 -0.204 0.000 1.157 352 Q HN 0.267 nan 8.270 nan 0.000 0.380 353 V N 4.363 124.269 119.914 -0.014 0.000 2.591 353 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 353 V C 1.254 177.437 176.094 0.148 0.000 1.053 353 V CA 1.457 63.807 62.300 0.083 0.000 1.068 353 V CB 0.130 32.027 31.823 0.122 0.000 0.689 353 V HN 0.685 nan 8.190 nan 0.000 0.462 354 L N -0.413 120.837 121.223 0.045 0.000 2.588 354 L HA 0.470 4.809 4.340 -0.000 0.000 0.194 354 L C 0.953 177.698 176.870 -0.210 0.000 1.070 354 L CA 0.899 55.680 54.840 -0.099 0.000 0.852 354 L CB -0.238 41.729 42.059 -0.154 0.000 1.199 354 L HN 0.200 nan 8.230 nan 0.000 0.486 355 N N 1.039 119.641 118.700 -0.164 0.000 3.303 355 N HA 0.081 4.820 4.740 -0.000 0.000 0.304 355 N C 0.597 176.010 175.510 -0.161 0.000 1.302 355 N CA 0.122 53.068 53.050 -0.172 0.000 1.213 355 N CB 0.345 38.762 38.487 -0.118 0.000 1.481 355 N HN 0.427 nan 8.380 nan 0.000 0.546 356 K N 0.200 120.476 120.400 -0.207 0.000 2.067 356 K HA 0.111 4.431 4.320 -0.000 0.000 0.203 356 K C 1.265 177.802 176.600 -0.104 0.000 1.048 356 K CA 0.661 56.833 56.287 -0.192 0.000 0.954 356 K CB 0.440 32.807 32.500 -0.222 0.000 0.737 356 K HN 0.074 nan 8.250 nan 0.000 0.444 357 R N 0.259 120.669 120.500 -0.151 0.000 2.279 357 R HA 0.173 4.512 4.340 -0.000 0.000 0.195 357 R C 0.916 176.976 176.300 -0.400 0.000 0.905 357 R CA 0.399 56.412 56.100 -0.145 0.000 1.044 357 R CB 0.849 31.019 30.300 -0.216 0.000 1.056 357 R HN 0.227 nan 8.270 nan 0.000 0.535 358 S N -1.080 114.379 115.700 -0.403 0.000 2.703 358 S HA 0.453 4.923 4.470 -0.000 0.000 0.273 358 S C -0.665 173.776 174.600 -0.265 0.000 1.178 358 S CA -0.816 57.057 58.200 -0.545 0.000 0.838 358 S CB 1.410 64.353 63.200 -0.428 0.000 1.178 358 S HN -0.076 nan 8.310 nan 0.000 0.494 359 V N -0.548 119.248 119.914 -0.197 0.000 2.435 359 V HA 0.646 4.766 4.120 -0.000 0.000 0.290 359 V C 0.085 176.137 176.094 -0.071 0.000 1.030 359 V CA -0.934 61.313 62.300 -0.088 0.000 0.881 359 V CB 1.083 32.900 31.823 -0.009 0.000 0.983 359 V HN 0.895 nan 8.190 nan 0.000 0.445 360 M N 6.124 125.637 119.600 -0.144 0.000 2.238 360 M HA 0.411 4.891 4.480 -0.000 0.000 0.347 360 M C -2.235 173.945 176.300 -0.199 0.000 1.173 360 M CA -1.460 53.713 55.300 -0.212 0.000 1.147 360 M CB 0.741 33.172 32.600 -0.281 0.000 1.547 360 M HN 0.568 nan 8.290 nan 0.000 0.455 361 P HA 0.502 nan 4.420 nan 0.000 0.285 361 P C -2.821 174.230 177.300 -0.415 0.000 1.280 361 P CA -2.063 60.633 63.100 -0.672 0.000 0.862 361 P CB -0.007 30.866 31.700 -1.379 0.000 1.153 362 P HA 0.009 nan 4.420 nan 0.000 0.266 362 P C 0.997 177.926 177.300 -0.618 0.000 1.195 362 P CA 0.230 62.888 63.100 -0.737 0.000 0.768 362 P CB 0.322 31.032 31.700 -1.650 0.000 0.838 363 K N 4.249 124.397 120.400 -0.420 0.000 2.189 363 K HA -0.242 4.078 4.320 -0.000 0.000 0.207 363 K C 1.544 177.950 176.600 -0.324 0.000 1.046 363 K CA 2.064 58.040 56.287 -0.519 0.000 0.928 363 K CB -1.155 30.925 32.500 -0.701 0.000 0.720 363 K HN 0.563 nan 8.250 nan 0.000 0.458 364 Y N -1.562 118.531 120.300 -0.346 0.000 2.574 364 Y HA 0.094 4.644 4.550 -0.000 0.000 0.294 364 Y C 1.466 177.286 175.900 -0.134 0.000 1.142 364 Y CA 0.240 58.167 58.100 -0.288 0.000 1.314 364 Y CB -0.946 37.278 38.460 -0.393 0.000 0.991 364 Y HN -0.115 nan 8.280 nan 0.000 0.555 365 V N -0.211 119.572 119.914 -0.219 0.000 2.809 365 V HA -0.183 3.937 4.120 -0.000 0.000 0.256 365 V C 1.157 177.158 176.094 -0.155 0.000 1.080 365 V CA 1.175 63.334 62.300 -0.236 0.000 1.102 365 V CB -0.980 30.377 31.823 -0.777 0.000 0.705 365 V HN 0.313 nan 8.190 nan 0.000 0.475 366 F N 0.958 120.949 119.950 0.069 0.000 2.693 366 F HA 0.423 4.950 4.527 -0.001 0.000 0.303 366 F C 1.500 177.320 175.800 0.033 0.000 1.143 366 F CA -0.184 57.853 58.000 0.061 0.000 1.389 366 F CB -0.703 38.267 39.000 -0.051 0.000 1.060 366 F HN 0.127 nan 8.300 nan 0.000 0.535 367 G N -0.708 108.232 108.800 0.234 0.000 2.502 367 G HA2 0.288 4.248 3.960 -0.000 0.000 0.305 367 G HA3 0.288 4.248 3.960 -0.000 0.000 0.305 367 G C -1.136 173.999 174.900 0.391 0.000 1.190 367 G CA -0.464 44.724 45.100 0.147 0.000 0.933 367 G HN 0.030 nan 8.290 nan 0.000 0.503 368 F N 0.314 120.463 119.950 0.331 0.000 2.456 368 F HA 0.635 5.162 4.527 -0.000 0.000 0.358 368 F C -0.848 174.725 175.800 -0.378 0.000 1.095 368 F CA -1.344 56.717 58.000 0.101 0.000 1.216 368 F CB 0.327 39.437 39.000 0.183 0.000 1.125 368 F HN 0.176 nan 8.300 nan 0.000 0.549 369 F N 3.703 122.941 119.950 -1.186 0.000 2.563 369 F HA 0.405 4.931 4.527 -0.000 0.000 0.316 369 F C -0.475 174.644 175.800 -1.135 0.000 1.076 369 F CA -0.977 56.415 58.000 -1.013 0.000 0.921 369 F CB 1.882 40.495 39.000 -0.645 0.000 1.209 369 F HN 0.313 nan 8.300 nan 0.000 0.462 370 Q N 1.332 120.901 119.800 -0.385 0.000 2.316 370 Q HA 0.685 5.025 4.340 -0.000 0.000 0.264 370 Q C -0.653 175.360 176.000 0.022 0.000 0.987 370 Q CA -0.478 55.275 55.803 -0.085 0.000 0.852 370 Q CB 2.013 30.913 28.738 0.270 0.000 1.287 370 Q HN 0.818 nan 8.270 nan 0.000 0.448 371 G N 1.159 110.002 108.800 0.072 0.000 2.481 371 G HA2 0.721 4.681 3.960 -0.000 0.000 0.315 371 G HA3 0.721 4.681 3.960 -0.000 0.000 0.315 371 G C -1.513 173.668 174.900 0.469 0.000 1.231 371 G CA -0.635 44.527 45.100 0.104 0.000 0.968 371 G HN 0.524 nan 8.290 nan 0.000 0.482 372 V N 1.251 121.397 119.914 0.386 0.000 2.711 372 V HA 0.334 4.454 4.120 -0.000 0.000 0.304 372 V C -1.396 174.877 176.094 0.298 0.000 1.097 372 V CA -0.868 61.490 62.300 0.096 0.000 0.906 372 V CB 1.795 33.636 31.823 0.030 0.000 1.015 372 V HN 0.705 nan 8.190 nan 0.000 0.427 373 F N 4.291 124.264 119.950 0.038 0.000 2.423 373 F HA 0.727 5.254 4.527 -0.001 0.000 0.356 373 F C 0.944 176.675 175.800 -0.115 0.000 1.170 373 F CA -0.183 57.861 58.000 0.073 0.000 1.163 373 F CB 0.551 39.680 39.000 0.215 0.000 1.318 373 F HN 0.827 nan 8.300 nan 0.000 0.569 374 G N 2.500 111.279 108.800 -0.034 0.000 2.363 374 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.213 374 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.213 374 G C 0.058 174.928 174.900 -0.051 0.000 1.028 374 G CA -0.167 44.809 45.100 -0.207 0.000 0.822 374 G HN 0.893 nan 8.290 nan 0.000 0.536 375 T N -1.304 113.297 114.554 0.079 0.000 2.788 375 T HA 0.616 4.966 4.350 -0.000 0.000 0.287 375 T C 1.269 176.074 174.700 0.176 0.000 1.007 375 T CA 0.873 63.051 62.100 0.130 0.000 1.005 375 T CB 1.745 70.749 68.868 0.228 0.000 1.012 375 T HN 1.195 nan 8.240 nan 0.000 0.530 376 S N -1.504 114.246 115.700 0.083 0.000 2.820 376 S HA 0.407 4.877 4.470 -0.000 0.000 0.265 376 S C 0.255 174.747 174.600 -0.180 0.000 1.043 376 S CA 0.070 58.309 58.200 0.065 0.000 1.245 376 S CB -0.375 62.815 63.200 -0.016 0.000 1.187 376 S HN 1.574 nan 8.310 nan 0.000 0.673 377 S N 0.125 115.414 115.700 -0.684 0.000 2.627 377 S HA 0.562 5.032 4.470 -0.000 0.000 0.268 377 S C 0.052 173.889 174.600 -1.272 0.000 1.130 377 S CA -0.453 57.033 58.200 -1.191 0.000 0.819 377 S CB 0.594 63.499 63.200 -0.491 0.000 1.100 377 S HN 0.339 nan 8.310 nan 0.000 0.465 378 L N 1.352 121.922 121.223 -1.088 0.000 1.973 378 L HA 0.469 4.808 4.340 -0.000 0.000 0.208 378 L C 0.300 176.811 176.870 -0.598 0.000 1.073 378 L CA 1.628 56.041 54.840 -0.711 0.000 0.746 378 L CB -0.817 40.888 42.059 -0.590 0.000 0.891 378 L HN 0.732 nan 8.230 nan 0.000 0.433 379 L N -0.361 120.579 121.223 -0.471 0.000 2.343 379 L HA 0.339 4.679 4.340 -0.000 0.000 0.275 379 L C 1.643 178.375 176.870 -0.230 0.000 1.056 379 L CA -0.627 53.994 54.840 -0.365 0.000 0.804 379 L CB 1.087 42.979 42.059 -0.278 0.000 1.203 379 L HN 0.089 nan 8.230 nan 0.000 0.440 380 R N 1.718 122.108 120.500 -0.183 0.000 2.103 380 R HA -0.204 4.136 4.340 -0.000 0.000 0.242 380 R C 2.026 178.240 176.300 -0.142 0.000 1.142 380 R CA 1.745 57.765 56.100 -0.133 0.000 0.960 380 R CB -0.406 29.836 30.300 -0.097 0.000 0.858 380 R HN 0.868 nan 8.270 nan 0.000 0.439 381 A N 0.118 122.826 122.820 -0.186 0.000 2.125 381 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 381 A C 1.195 178.553 177.584 -0.377 0.000 1.156 381 A CA 1.319 53.187 52.037 -0.282 0.000 0.671 381 A CB -0.256 18.533 19.000 -0.352 0.000 0.794 381 A HN 0.328 nan 8.150 nan 0.000 0.459 382 H N -2.482 116.510 119.070 -0.130 0.000 2.893 382 H HA 0.275 4.831 4.556 -0.000 0.000 0.270 382 H C 0.376 175.618 175.328 -0.143 0.000 1.095 382 H CA -0.284 55.687 56.048 -0.129 0.000 1.186 382 H CB -0.024 29.652 29.762 -0.142 0.000 1.562 382 H HN 0.460 nan 8.280 nan 0.000 0.536 383 M N 3.017 122.581 119.600 -0.061 0.000 2.252 383 M HA 0.120 4.600 4.480 -0.000 0.000 0.348 383 M C -2.188 174.083 176.300 -0.049 0.000 1.334 383 M CA -1.157 54.092 55.300 -0.086 0.000 1.071 383 M CB 0.622 33.164 32.600 -0.096 0.000 1.763 383 M HN -0.112 nan 8.290 nan 0.000 0.452 384 P HA 0.247 nan 4.420 nan 0.000 0.274 384 P C -1.381 175.901 177.300 -0.029 0.000 1.231 384 P CA -0.471 62.612 63.100 -0.029 0.000 0.790 384 P CB 0.607 32.291 31.700 -0.027 0.000 0.951 385 A N 1.600 124.406 122.820 -0.022 0.000 2.477 385 A HA 0.559 4.879 4.320 -0.000 0.000 0.246 385 A C 0.592 178.168 177.584 -0.014 0.000 1.078 385 A CA 0.784 52.811 52.037 -0.016 0.000 0.770 385 A CB -0.748 18.245 19.000 -0.012 0.000 1.011 385 A HN 0.720 nan 8.150 nan 0.000 0.494 386 G N 1.002 109.800 108.800 -0.003 0.000 2.498 386 G HA2 0.412 4.371 3.960 -0.000 0.000 0.301 386 G HA3 0.412 4.371 3.960 -0.000 0.000 0.301 386 G C -0.881 174.046 174.900 0.044 0.000 1.577 386 G CA -0.665 44.437 45.100 0.004 0.000 0.868 386 G HN 0.925 nan 8.290 nan 0.000 0.599 387 E N 0.917 121.177 120.200 0.100 0.000 2.493 387 E HA 0.097 4.446 4.350 -0.000 0.000 0.255 387 E C 1.061 177.804 176.600 0.239 0.000 0.999 387 E CA 0.849 57.362 56.400 0.189 0.000 0.934 387 E CB 0.117 30.008 29.700 0.318 0.000 0.940 387 E HN 0.633 nan 8.360 nan 0.000 0.473 388 N N 2.847 121.643 118.700 0.161 0.000 2.965 388 N HA -0.210 4.529 4.740 -0.000 0.000 0.232 388 N C -1.037 174.533 175.510 0.100 0.000 0.913 388 N CA 0.944 54.089 53.050 0.157 0.000 0.981 388 N CB -1.194 37.463 38.487 0.283 0.000 1.077 388 N HN 0.539 nan 8.380 nan 0.000 0.589 389 N N 0.864 119.596 118.700 0.054 0.000 2.294 389 N HA 0.150 4.890 4.740 -0.000 0.000 0.248 389 N C -0.001 175.518 175.510 0.015 0.000 1.242 389 N CA 0.666 53.722 53.050 0.010 0.000 0.848 389 N CB 0.323 38.800 38.487 -0.016 0.000 1.084 389 N HN 0.502 nan 8.380 nan 0.000 0.457 390 I N 0.094 120.670 120.570 0.010 0.000 2.730 390 I HA 0.311 4.480 4.170 -0.000 0.000 0.298 390 I C -0.242 175.862 176.117 -0.021 0.000 1.089 390 I CA -0.637 60.673 61.300 0.016 0.000 1.041 390 I CB 1.478 39.518 38.000 0.067 0.000 1.235 390 I HN 0.581 nan 8.210 nan 0.000 0.423 391 S N 4.426 120.097 115.700 -0.048 0.000 2.654 391 S HA 0.321 4.790 4.470 -0.000 0.000 0.283 391 S C 0.944 175.507 174.600 -0.061 0.000 1.180 391 S CA -0.775 57.354 58.200 -0.119 0.000 1.021 391 S CB 1.848 64.950 63.200 -0.164 0.000 1.018 391 S HN 0.471 nan 8.310 nan 0.000 0.532 392 V N 1.538 121.387 119.914 -0.109 0.000 2.324 392 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 392 V C 2.774 178.887 176.094 0.032 0.000 1.060 392 V CA 2.520 64.821 62.300 0.003 0.000 1.042 392 V CB -1.238 30.574 31.823 -0.018 0.000 0.650 392 V HN 1.088 nan 8.190 nan 0.000 0.450 393 E N 0.118 120.243 120.200 -0.125 0.000 2.086 393 E HA -0.341 4.009 4.350 -0.000 0.000 0.200 393 E C 2.258 178.897 176.600 0.065 0.000 1.012 393 E CA 2.092 58.475 56.400 -0.028 0.000 0.812 393 E CB -0.223 29.373 29.700 -0.174 0.000 0.743 393 E HN 0.747 nan 8.360 nan 0.000 0.453 394 E N -0.033 120.172 120.200 0.008 0.000 2.110 394 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 394 E C 2.094 178.687 176.600 -0.011 0.000 0.988 394 E CA 1.343 57.740 56.400 -0.005 0.000 0.804 394 E CB -0.114 29.589 29.700 0.005 0.000 0.745 394 E HN 0.388 nan 8.360 nan 0.000 0.458 395 I N 0.280 120.905 120.570 0.091 0.000 2.163 395 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 395 I C 2.401 178.547 176.117 0.048 0.000 1.081 395 I CA 0.714 62.111 61.300 0.162 0.000 1.353 395 I CB -0.278 37.901 38.000 0.298 0.000 1.054 395 I HN 0.032 nan 8.210 nan 0.000 0.407 396 V N 0.842 120.856 119.914 0.167 0.000 2.282 396 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 396 V C 2.421 178.519 176.094 0.006 0.000 1.057 396 V CA 2.156 64.575 62.300 0.197 0.000 1.032 396 V CB -0.798 31.259 31.823 0.390 0.000 0.645 396 V HN 0.461 nan 8.190 nan 0.000 0.447 397 E N 0.251 120.432 120.200 -0.031 0.000 2.058 397 E HA -0.178 4.171 4.350 -0.000 0.000 0.194 397 E C 2.358 178.744 176.600 -0.358 0.000 0.997 397 E CA 1.290 57.616 56.400 -0.123 0.000 0.801 397 E CB -0.582 29.072 29.700 -0.076 0.000 0.746 397 E HN 0.660 nan 8.360 nan 0.000 0.450 398 G N 0.304 108.644 108.800 -0.768 0.000 2.440 398 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 398 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 398 G C 1.114 175.350 174.900 -1.106 0.000 1.154 398 G CA 0.927 45.035 45.100 -1.653 0.000 0.767 398 G HN 0.187 nan 8.290 nan 0.000 0.552 399 Y N 0.489 120.393 120.300 -0.660 0.000 2.153 399 Y HA -0.002 4.548 4.550 -0.001 0.000 0.289 399 Y C 3.226 179.093 175.900 -0.055 0.000 1.127 399 Y CA 1.449 59.359 58.100 -0.316 0.000 1.131 399 Y CB -0.567 37.379 38.460 -0.857 0.000 0.995 399 Y HN 0.213 nan 8.280 nan 0.000 0.505 400 Q N -0.050 119.784 119.800 0.056 0.000 1.993 400 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 400 Q C 1.925 177.952 176.000 0.046 0.000 0.984 400 Q CA 1.450 57.309 55.803 0.094 0.000 0.837 400 Q CB -0.337 28.451 28.738 0.084 0.000 0.902 400 Q HN 0.436 nan 8.270 nan 0.000 0.423 401 N N 0.843 119.530 118.700 -0.021 0.000 2.258 401 N HA -0.132 4.608 4.740 -0.000 0.000 0.187 401 N C 0.969 176.473 175.510 -0.010 0.000 1.012 401 N CA 0.968 53.999 53.050 -0.031 0.000 0.870 401 N CB -0.239 38.202 38.487 -0.076 0.000 0.977 401 N HN 0.270 nan 8.380 nan 0.000 0.434 402 N N 0.743 119.461 118.700 0.030 0.000 2.280 402 N HA -0.028 4.711 4.740 -0.000 0.000 0.192 402 N C -0.290 175.217 175.510 -0.004 0.000 1.109 402 N CA -0.001 53.086 53.050 0.060 0.000 0.855 402 N CB -0.012 38.600 38.487 0.208 0.000 0.974 402 N HN 0.133 nan 8.380 nan 0.000 0.482 403 N N 0.283 119.005 118.700 0.037 0.000 2.738 403 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 403 N C -1.422 174.046 175.510 -0.069 0.000 1.047 403 N CA 0.253 53.301 53.050 -0.004 0.000 0.707 403 N CB -1.856 36.600 38.487 -0.052 0.000 0.937 403 N HN 0.082 nan 8.380 nan 0.000 0.545 404 F N 0.507 120.518 119.950 0.103 0.000 2.410 404 F HA 0.387 4.914 4.527 -0.001 0.000 0.348 404 F C -1.423 174.427 175.800 0.084 0.000 1.106 404 F CA -1.870 56.206 58.000 0.126 0.000 1.163 404 F CB 0.925 40.115 39.000 0.316 0.000 1.129 404 F HN 0.036 nan 8.300 nan 0.000 0.516 405 P HA 0.059 nan 4.420 nan 0.000 0.267 405 P C -1.022 176.294 177.300 0.026 0.000 1.209 405 P CA 0.301 63.289 63.100 -0.187 0.000 0.763 405 P CB 0.214 31.411 31.700 -0.838 0.000 0.816 406 F N 2.844 122.772 119.950 -0.036 0.000 2.605 406 F HA 0.310 4.837 4.527 -0.001 0.000 0.320 406 F C 0.621 176.389 175.800 -0.053 0.000 1.159 406 F CA -0.727 57.272 58.000 -0.003 0.000 0.999 406 F CB 2.254 41.253 39.000 -0.002 0.000 1.258 406 F HN 0.130 nan 8.300 nan 0.000 0.464 407 E N 2.794 122.455 120.200 -0.898 0.000 2.340 407 E HA 0.534 4.884 4.350 -0.000 0.000 0.198 407 E C 0.705 176.678 176.600 -1.044 0.000 0.961 407 E CA 0.994 56.889 56.400 -0.843 0.000 0.905 407 E CB 0.717 29.767 29.700 -1.083 0.000 0.884 407 E HN 1.017 nan 8.360 nan 0.000 0.491 408 G N -0.996 106.868 108.800 -1.559 0.000 2.347 408 G HA2 0.144 4.104 3.960 -0.000 0.000 0.224 408 G HA3 0.144 4.104 3.960 -0.000 0.000 0.224 408 G C -1.656 172.940 174.900 -0.507 0.000 1.318 408 G CA -0.564 44.009 45.100 -0.879 0.000 1.016 408 G HN 0.035 nan 8.290 nan 0.000 0.469 409 L N 0.190 121.422 121.223 0.016 0.000 2.354 409 L HA 0.822 5.162 4.340 -0.000 0.000 0.264 409 L C 0.275 177.182 176.870 0.063 0.000 1.008 409 L CA -0.671 54.235 54.840 0.109 0.000 0.819 409 L CB 2.455 44.621 42.059 0.178 0.000 1.339 409 L HN 1.169 nan 8.230 nan 0.000 0.420 410 A N 1.964 124.732 122.820 -0.087 0.000 2.511 410 A HA 0.622 4.942 4.320 -0.000 0.000 0.340 410 A C -0.658 176.882 177.584 -0.074 0.000 1.396 410 A CA -0.470 51.361 52.037 -0.344 0.000 0.887 410 A CB 0.276 18.686 19.000 -0.984 0.000 1.145 410 A HN 0.357 nan 8.150 nan 0.000 0.497 411 V N 3.524 123.507 119.914 0.114 0.000 2.439 411 V HA 0.058 4.178 4.120 -0.000 0.000 0.271 411 V C 0.627 176.857 176.094 0.225 0.000 1.040 411 V CA -0.200 62.193 62.300 0.155 0.000 1.002 411 V CB 0.466 32.350 31.823 0.103 0.000 1.000 411 V HN 0.854 nan 8.190 nan 0.000 0.477 412 D N 3.001 123.538 120.400 0.228 0.000 2.414 412 D HA 0.101 4.740 4.640 -0.000 0.000 0.259 412 D C 1.307 177.515 176.300 -0.153 0.000 1.269 412 D CA -0.006 54.064 54.000 0.117 0.000 1.028 412 D CB 1.771 42.699 40.800 0.214 0.000 1.093 412 D HN 0.395 nan 8.370 nan 0.000 0.545 413 V N -0.827 118.892 119.914 -0.324 0.000 3.383 413 V HA -0.094 4.025 4.120 -0.000 0.000 0.272 413 V C 1.121 177.057 176.094 -0.262 0.000 1.181 413 V CA 0.960 63.050 62.300 -0.351 0.000 1.171 413 V CB -0.469 31.060 31.823 -0.490 0.000 0.800 413 V HN 0.291 nan 8.190 nan 0.000 0.515 414 D N 2.142 122.451 120.400 -0.152 0.000 2.203 414 D HA -0.267 4.373 4.640 -0.000 0.000 0.199 414 D C 2.014 178.038 176.300 -0.460 0.000 0.997 414 D CA 2.497 56.412 54.000 -0.143 0.000 0.863 414 D CB -0.269 40.548 40.800 0.029 0.000 0.928 414 D HN 0.784 nan 8.370 nan 0.000 0.458 415 M N -0.649 118.448 119.600 -0.838 0.000 2.541 415 M HA 0.084 4.563 4.480 -0.000 0.000 0.252 415 M C 0.531 176.506 176.300 -0.542 0.000 1.125 415 M CA 0.251 54.724 55.300 -1.377 0.000 1.091 415 M CB 0.241 31.926 32.600 -1.527 0.000 1.420 415 M HN -0.247 nan 8.290 nan 0.000 0.486 416 Q N 1.683 121.277 119.800 -0.344 0.000 2.396 416 Q HA 0.146 4.485 4.340 -0.000 0.000 0.221 416 Q C -0.741 175.176 176.000 -0.138 0.000 1.025 416 Q CA -0.515 55.164 55.803 -0.206 0.000 0.946 416 Q CB 0.494 29.104 28.738 -0.214 0.000 1.224 416 Q HN 0.183 nan 8.270 nan 0.000 0.539 417 D N 1.145 121.475 120.400 -0.116 0.000 2.316 417 D HA -0.020 4.619 4.640 -0.000 0.000 0.245 417 D C -0.218 175.992 176.300 -0.149 0.000 1.171 417 D CA -0.021 53.917 54.000 -0.103 0.000 0.856 417 D CB 0.098 40.848 40.800 -0.084 0.000 1.090 417 D HN 0.435 nan 8.370 nan 0.000 0.476 418 N N 4.276 122.907 118.700 -0.115 0.000 2.718 418 N HA -0.232 4.507 4.740 -0.000 0.000 0.268 418 N C 0.116 175.538 175.510 -0.146 0.000 0.965 418 N CA 0.696 53.678 53.050 -0.114 0.000 0.817 418 N CB -0.558 37.871 38.487 -0.096 0.000 0.914 418 N HN 0.676 nan 8.380 nan 0.000 0.558 419 L N -2.934 118.200 121.223 -0.148 0.000 4.001 419 L HA -0.305 4.035 4.340 -0.000 0.000 0.413 419 L C 0.382 177.122 176.870 -0.217 0.000 1.185 419 L CA 0.956 55.709 54.840 -0.145 0.000 0.963 419 L CB -1.502 40.522 42.059 -0.057 0.000 1.976 419 L HN 0.290 nan 8.230 nan 0.000 0.939 420 R N 0.533 120.835 120.500 -0.330 0.000 2.248 420 R HA 0.436 4.776 4.340 -0.000 0.000 0.337 420 R C 0.219 176.367 176.300 -0.253 0.000 1.085 420 R CA -0.295 55.472 56.100 -0.555 0.000 0.934 420 R CB 1.303 31.043 30.300 -0.933 0.000 1.034 420 R HN 0.113 nan 8.270 nan 0.000 0.465 421 V N 5.343 125.177 119.914 -0.133 0.000 2.763 421 V HA -0.045 4.075 4.120 -0.000 0.000 0.306 421 V C 0.289 176.241 176.094 -0.235 0.000 1.059 421 V CA 0.915 63.042 62.300 -0.288 0.000 1.138 421 V CB -0.295 31.305 31.823 -0.371 0.000 0.940 421 V HN 0.943 nan 8.190 nan 0.000 0.489 422 F N 1.819 121.682 119.950 -0.145 0.000 2.398 422 F HA -0.185 4.342 4.527 -0.000 0.000 0.484 422 F C 0.938 176.696 175.800 -0.071 0.000 0.537 422 F CA 1.099 58.985 58.000 -0.189 0.000 1.491 422 F CB -2.493 36.349 39.000 -0.263 0.000 2.162 422 F HN 0.785 nan 8.300 nan 0.000 0.263 423 T N -1.014 113.586 114.554 0.077 0.000 2.912 423 T HA 0.738 5.088 4.350 -0.000 0.000 0.280 423 T C 0.300 175.020 174.700 0.034 0.000 0.989 423 T CA 0.164 62.304 62.100 0.066 0.000 0.995 423 T CB 2.512 71.386 68.868 0.009 0.000 1.077 423 T HN 0.388 nan 8.240 nan 0.000 0.531 424 T N -1.249 113.365 114.554 0.101 0.000 2.916 424 T HA 0.674 5.024 4.350 -0.000 0.000 0.292 424 T C -0.687 174.089 174.700 0.126 0.000 1.055 424 T CA -1.259 60.916 62.100 0.125 0.000 1.009 424 T CB 1.513 70.609 68.868 0.381 0.000 1.118 424 T HN 0.996 nan 8.240 nan 0.000 0.497 425 K N 0.350 120.825 120.400 0.125 0.000 2.123 425 K HA 0.664 4.983 4.320 -0.000 0.000 0.259 425 K C 1.549 178.282 176.600 0.222 0.000 0.960 425 K CA -0.766 55.597 56.287 0.127 0.000 0.872 425 K CB 0.972 33.527 32.500 0.092 0.000 1.079 425 K HN 0.634 nan 8.250 nan 0.000 0.440 426 G N 2.331 111.173 108.800 0.070 0.000 2.679 426 G HA2 -0.383 3.576 3.960 -0.000 0.000 0.222 426 G HA3 -0.383 3.576 3.960 -0.000 0.000 0.222 426 G C 0.938 175.890 174.900 0.087 0.000 1.164 426 G CA 1.441 46.544 45.100 0.004 0.000 0.769 426 G HN 0.859 nan 8.290 nan 0.000 0.610 427 E N -0.243 120.004 120.200 0.079 0.000 2.331 427 E HA -0.036 4.313 4.350 -0.000 0.000 0.199 427 E C 1.352 177.878 176.600 -0.124 0.000 1.008 427 E CA 0.500 56.879 56.400 -0.035 0.000 0.843 427 E CB -0.245 29.432 29.700 -0.039 0.000 0.761 427 E HN 0.606 nan 8.360 nan 0.000 0.507 428 F N -1.009 118.962 119.950 0.035 0.000 2.713 428 F HA 0.208 4.734 4.527 -0.000 0.000 0.294 428 F C -0.299 175.412 175.800 -0.148 0.000 1.152 428 F CA -0.453 57.498 58.000 -0.082 0.000 1.385 428 F CB 0.236 39.144 39.000 -0.153 0.000 0.981 428 F HN -0.096 nan 8.300 nan 0.000 0.514 429 W N -0.623 120.613 121.300 -0.108 0.000 2.781 429 W HA 0.308 4.968 4.660 -0.000 0.000 0.345 429 W C 1.578 177.998 176.519 -0.165 0.000 1.085 429 W CA -1.075 56.204 57.345 -0.110 0.000 1.198 429 W CB 0.668 30.088 29.460 -0.066 0.000 1.423 429 W HN -0.151 nan 8.180 nan 0.000 0.532 430 T N -1.867 112.746 114.554 0.098 0.000 2.881 430 T HA -0.120 4.230 4.350 -0.000 0.000 0.270 430 T C 1.247 176.025 174.700 0.131 0.000 1.068 430 T CA 1.580 63.722 62.100 0.071 0.000 1.131 430 T CB -0.174 68.762 68.868 0.113 0.000 0.871 430 T HN 0.458 nan 8.240 nan 0.000 0.479 431 A N 0.743 123.628 122.820 0.107 0.000 2.387 431 A HA 0.444 4.763 4.320 -0.000 0.000 0.234 431 A C 1.133 178.620 177.584 -0.161 0.000 1.253 431 A CA 0.305 52.362 52.037 0.034 0.000 0.894 431 A CB -0.597 18.437 19.000 0.057 0.000 0.963 431 A HN 0.476 nan 8.150 nan 0.000 0.508 432 N N -0.225 118.284 118.700 -0.318 0.000 2.741 432 N HA -0.187 4.553 4.740 -0.000 0.000 0.251 432 N C -0.016 175.354 175.510 -0.233 0.000 1.112 432 N CA 1.584 54.380 53.050 -0.423 0.000 0.750 432 N CB -1.214 36.831 38.487 -0.736 0.000 1.119 432 N HN 0.889 nan 8.380 nan 0.000 0.561 433 R N -2.324 118.040 120.500 -0.227 0.000 2.836 433 R HA 0.704 5.044 4.340 -0.000 0.000 0.269 433 R C -0.916 174.956 176.300 -0.713 0.000 1.010 433 R CA -0.936 54.968 56.100 -0.325 0.000 0.930 433 R CB 1.116 31.268 30.300 -0.246 0.000 1.218 433 R HN -0.121 nan 8.270 nan 0.000 0.473 434 V N 1.824 121.287 119.914 -0.751 0.000 2.385 434 V HA 0.453 4.572 4.120 -0.000 0.000 0.269 434 V C 0.466 175.946 176.094 -1.023 0.000 1.043 434 V CA 0.321 61.921 62.300 -1.167 0.000 0.906 434 V CB 1.007 32.542 31.823 -0.479 0.000 0.995 434 V HN 0.908 nan 8.190 nan 0.000 0.467 435 G N 2.966 110.773 108.800 -1.654 0.000 2.753 435 G HA2 0.492 4.451 3.960 -0.000 0.000 0.285 435 G HA3 0.492 4.451 3.960 -0.000 0.000 0.285 435 G C 0.743 175.512 174.900 -0.218 0.000 1.344 435 G CA 0.353 45.023 45.100 -0.716 0.000 1.050 435 G HN 0.654 nan 8.290 nan 0.000 0.532 436 T N -3.406 111.173 114.554 0.042 0.000 3.069 436 T HA 0.496 4.846 4.350 -0.000 0.000 0.252 436 T C 1.055 175.910 174.700 0.258 0.000 1.053 436 T CA 0.834 63.023 62.100 0.148 0.000 0.964 436 T CB -0.047 68.868 68.868 0.078 0.000 1.005 436 T HN 2.256 nan 8.240 nan 0.000 0.532 437 G N -0.189 108.827 108.800 0.359 0.000 2.629 437 G HA2 0.413 4.373 3.960 -0.000 0.000 0.686 437 G HA3 0.413 4.373 3.960 -0.000 0.000 0.686 437 G C 0.472 175.511 174.900 0.232 0.000 1.232 437 G CA -0.222 45.084 45.100 0.343 0.000 0.803 437 G HN 1.510 nan 8.290 nan 0.000 0.638 438 G N -0.489 108.436 108.800 0.208 0.000 2.160 438 G HA2 0.026 3.986 3.960 -0.000 0.000 0.251 438 G HA3 0.026 3.986 3.960 -0.000 0.000 0.251 438 G C 0.141 175.127 174.900 0.144 0.000 1.008 438 G CA 1.391 46.584 45.100 0.155 0.000 0.724 438 G HN 1.758 nan 8.290 nan 0.000 0.514 439 D N 0.093 120.600 120.400 0.178 0.000 2.349 439 D HA 0.461 5.100 4.640 -0.000 0.000 0.232 439 D C -0.480 175.913 176.300 0.156 0.000 1.071 439 D CA -2.125 51.966 54.000 0.151 0.000 0.832 439 D CB 1.655 42.547 40.800 0.154 0.000 1.086 439 D HN 0.120 nan 8.370 nan 0.000 0.504 440 P HA -0.004 nan 4.420 nan 0.000 0.233 440 P C 0.263 177.636 177.300 0.123 0.000 1.167 440 P CA 0.364 63.534 63.100 0.117 0.000 0.770 440 P CB 0.535 32.287 31.700 0.087 0.000 0.837 441 N N -0.061 118.709 118.700 0.117 0.000 2.270 441 N HA 0.024 4.764 4.740 -0.000 0.000 0.198 441 N C -0.024 175.567 175.510 0.136 0.000 1.117 441 N CA 0.337 53.454 53.050 0.111 0.000 0.845 441 N CB -0.227 38.308 38.487 0.081 0.000 0.980 441 N HN 0.161 nan 8.380 nan 0.000 0.486 442 N N 0.659 119.468 118.700 0.183 0.000 2.969 442 N HA 0.127 4.866 4.740 -0.000 0.000 0.230 442 N C -1.460 174.284 175.510 0.390 0.000 1.397 442 N CA -0.254 52.946 53.050 0.251 0.000 0.762 442 N CB 0.610 39.209 38.487 0.187 0.000 1.495 442 N HN -0.133 nan 8.380 nan 0.000 0.583 443 R N 0.742 121.436 120.500 0.323 0.000 2.428 443 R HA 0.501 4.841 4.340 -0.000 0.000 0.294 443 R C 0.601 176.902 176.300 0.003 0.000 1.000 443 R CA -0.691 55.549 56.100 0.233 0.000 0.960 443 R CB 1.187 31.629 30.300 0.235 0.000 1.076 443 R HN 0.649 nan 8.270 nan 0.000 0.475 444 S N 0.829 116.208 115.700 -0.534 0.000 2.598 444 S HA -0.049 4.421 4.470 -0.000 0.000 0.256 444 S C 1.348 175.615 174.600 -0.555 0.000 1.350 444 S CA -0.483 56.987 58.200 -1.218 0.000 0.984 444 S CB 0.967 63.428 63.200 -1.231 0.000 0.930 444 S HN 0.456 nan 8.310 nan 0.000 0.577 445 V N 1.036 120.542 119.914 -0.680 0.000 2.332 445 V HA -0.109 4.011 4.120 -0.000 0.000 0.248 445 V C 1.872 177.805 176.094 -0.269 0.000 1.055 445 V CA 2.135 64.174 62.300 -0.435 0.000 1.038 445 V CB -1.164 30.357 31.823 -0.503 0.000 0.651 445 V HN 0.807 nan 8.190 nan 0.000 0.450 446 F N 0.764 120.634 119.950 -0.134 0.000 2.128 446 F HA 0.004 4.530 4.527 -0.000 0.000 0.295 446 F C 2.417 178.031 175.800 -0.310 0.000 1.100 446 F CA 1.661 59.532 58.000 -0.214 0.000 1.260 446 F CB -1.101 37.778 39.000 -0.203 0.000 1.009 446 F HN 0.194 nan 8.300 nan 0.000 0.476 447 E N -0.715 119.494 120.200 0.015 0.000 2.038 447 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 447 E C 1.990 178.676 176.600 0.143 0.000 1.000 447 E CA 1.648 58.113 56.400 0.107 0.000 0.803 447 E CB -0.552 29.222 29.700 0.123 0.000 0.750 447 E HN 0.524 nan 8.360 nan 0.000 0.448 448 W N 1.259 122.529 121.300 -0.050 0.000 2.338 448 W HA -0.231 4.429 4.660 -0.001 0.000 0.304 448 W C 2.309 178.838 176.519 0.017 0.000 1.212 448 W CA 2.060 59.398 57.345 -0.012 0.000 1.264 448 W CB -0.221 29.210 29.460 -0.048 0.000 1.142 448 W HN 0.056 nan 8.180 nan 0.000 0.512 449 A N -0.680 122.270 122.820 0.217 0.000 1.933 449 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 449 A C 1.618 179.214 177.584 0.020 0.000 1.175 449 A CA 2.007 54.102 52.037 0.096 0.000 0.628 449 A CB -1.339 17.754 19.000 0.154 0.000 0.814 449 A HN 0.628 nan 8.150 nan 0.000 0.444 450 H N -0.373 118.729 119.070 0.053 0.000 2.319 450 H HA -0.135 4.421 4.556 -0.000 0.000 0.299 450 H C 1.366 176.665 175.328 -0.049 0.000 1.092 450 H CA 1.091 57.161 56.048 0.036 0.000 1.302 450 H CB 0.036 29.843 29.762 0.076 0.000 1.373 450 H HN 0.439 nan 8.280 nan 0.000 0.497 451 D N 0.468 120.867 120.400 -0.002 0.000 2.309 451 D HA -0.098 4.542 4.640 -0.000 0.000 0.212 451 D C 1.494 177.680 176.300 -0.191 0.000 0.968 451 D CA 0.798 54.730 54.000 -0.112 0.000 0.882 451 D CB 0.028 40.727 40.800 -0.169 0.000 0.918 451 D HN 0.322 nan 8.370 nan 0.000 0.503 452 K N -0.199 120.042 120.400 -0.265 0.000 2.444 452 K HA 0.096 4.416 4.320 -0.000 0.000 0.193 452 K C 1.133 177.706 176.600 -0.045 0.000 1.024 452 K CA 0.347 56.508 56.287 -0.210 0.000 1.077 452 K CB 0.772 33.082 32.500 -0.317 0.000 0.833 452 K HN 0.139 nan 8.250 nan 0.000 0.517 453 G N 1.812 110.615 108.800 0.006 0.000 2.147 453 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.244 453 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.244 453 G C 0.003 174.948 174.900 0.075 0.000 1.005 453 G CA 0.113 45.254 45.100 0.068 0.000 0.713 453 G HN 0.188 nan 8.290 nan 0.000 0.515 454 L N -0.630 120.632 121.223 0.064 0.000 2.358 454 L HA 0.884 5.224 4.340 -0.000 0.000 0.268 454 L C 0.821 177.739 176.870 0.080 0.000 1.032 454 L CA -1.427 53.409 54.840 -0.006 0.000 0.805 454 L CB 1.755 43.790 42.059 -0.040 0.000 1.253 454 L HN 0.250 nan 8.230 nan 0.000 0.452 455 V N -2.419 117.470 119.914 -0.041 0.000 3.001 455 V HA 0.704 4.824 4.120 -0.000 0.000 0.314 455 V C -0.802 175.380 176.094 0.146 0.000 1.099 455 V CA -0.751 61.549 62.300 0.000 0.000 0.989 455 V CB 1.758 33.322 31.823 -0.431 0.000 1.040 455 V HN 0.853 nan 8.190 nan 0.000 0.434 456 C N 3.065 122.486 119.300 0.202 0.000 2.535 456 C HA 0.693 5.153 4.460 -0.000 0.000 0.319 456 C C -0.208 174.709 174.990 -0.122 0.000 1.171 456 C CA -0.615 58.513 59.018 0.183 0.000 1.394 456 C CB 1.538 29.496 27.740 0.363 0.000 1.990 456 C HN 1.079 nan 8.230 nan 0.000 0.466 457 Q N 1.208 120.722 119.800 -0.478 0.000 2.230 457 Q HA 0.704 5.044 4.340 -0.000 0.000 0.253 457 Q C -0.395 175.507 176.000 -0.163 0.000 0.919 457 Q CA -0.195 55.161 55.803 -0.745 0.000 0.908 457 Q CB 1.527 29.532 28.738 -1.222 0.000 1.245 457 Q HN 0.628 nan 8.270 nan 0.000 0.437 458 T N 0.895 115.422 114.554 -0.044 0.000 2.942 458 T HA 0.231 4.581 4.350 -0.000 0.000 0.289 458 T C -0.539 174.228 174.700 0.112 0.000 1.044 458 T CA -0.864 61.322 62.100 0.142 0.000 1.023 458 T CB 1.172 70.146 68.868 0.177 0.000 1.123 458 T HN 0.686 nan 8.240 nan 0.000 0.512 459 N N 3.261 121.930 118.700 -0.052 0.000 2.475 459 N HA 0.169 4.908 4.740 -0.000 0.000 0.267 459 N C -0.976 174.275 175.510 -0.432 0.000 1.169 459 N CA 0.041 52.723 53.050 -0.615 0.000 0.947 459 N CB 0.205 38.060 38.487 -1.053 0.000 1.061 459 N HN 0.457 nan 8.380 nan 0.000 0.466 460 I N 2.781 123.129 120.570 -0.370 0.000 2.439 460 I HA 0.150 4.320 4.170 -0.000 0.000 0.285 460 I C 0.703 176.762 176.117 -0.097 0.000 1.021 460 I CA -0.593 60.548 61.300 -0.265 0.000 1.091 460 I CB 1.081 38.966 38.000 -0.192 0.000 1.242 460 I HN 0.459 nan 8.210 nan 0.000 0.439 461 T N 1.253 115.775 114.554 -0.053 0.000 2.948 461 T HA 0.310 4.660 4.350 -0.000 0.000 0.285 461 T C 0.821 175.746 174.700 0.375 0.000 1.019 461 T CA -0.661 61.532 62.100 0.154 0.000 1.013 461 T CB 1.828 70.757 68.868 0.101 0.000 1.117 461 T HN 0.761 nan 8.240 nan 0.000 0.533 462 C N 0.359 119.921 119.300 0.438 0.000 2.435 462 C HA 0.549 5.009 4.460 -0.000 0.000 0.326 462 C C 0.052 175.193 174.990 0.252 0.000 1.328 462 C CA -1.271 57.944 59.018 0.327 0.000 1.741 462 C CB -2.664 25.164 27.740 0.147 0.000 1.998 462 C HN 0.624 nan 8.230 nan 0.000 0.585 463 F N 2.268 122.226 119.950 0.014 0.000 2.390 463 F HA 0.514 5.041 4.527 -0.001 0.000 0.361 463 F C 0.116 175.849 175.800 -0.111 0.000 1.124 463 F CA -0.814 57.027 58.000 -0.265 0.000 1.149 463 F CB 0.916 39.794 39.000 -0.204 0.000 1.160 463 F HN -0.040 nan 8.300 nan 0.000 0.501 464 L N 4.849 126.075 121.223 0.005 0.000 2.283 464 L HA 0.348 4.687 4.340 -0.000 0.000 0.281 464 L C 0.453 177.434 176.870 0.185 0.000 1.033 464 L CA -0.609 54.365 54.840 0.223 0.000 0.848 464 L CB 0.693 42.903 42.059 0.251 0.000 1.226 464 L HN 0.621 nan 8.230 nan 0.000 0.429 465 R N 1.761 122.409 120.500 0.247 0.000 2.619 465 R HA -0.143 4.197 4.340 -0.000 0.000 0.268 465 R C 0.671 177.041 176.300 0.116 0.000 0.990 465 R CA 0.543 56.692 56.100 0.082 0.000 1.092 465 R CB 0.611 30.875 30.300 -0.061 0.000 0.935 465 R HN 0.640 nan 8.270 nan 0.000 0.415 466 N N 0.766 119.477 118.700 0.018 0.000 2.445 466 N HA -0.052 4.688 4.740 -0.000 0.000 0.204 466 N C -1.045 174.466 175.510 0.003 0.000 1.098 466 N CA 0.141 53.193 53.050 0.003 0.000 0.859 466 N CB 0.505 38.964 38.487 -0.048 0.000 1.249 466 N HN 0.607 nan 8.380 nan 0.000 0.462 467 D N 0.167 120.565 120.400 -0.004 0.000 2.494 467 D HA 0.130 4.770 4.640 -0.000 0.000 0.217 467 D C -0.389 175.908 176.300 -0.004 0.000 1.153 467 D CA -0.186 53.814 54.000 -0.000 0.000 0.954 467 D CB 0.109 40.913 40.800 0.007 0.000 1.034 467 D HN 0.108 nan 8.370 nan 0.000 0.518 468 N N 1.618 120.323 118.700 0.008 0.000 2.184 468 N HA -0.039 4.701 4.740 -0.000 0.000 0.206 468 N C -0.274 175.238 175.510 0.004 0.000 1.151 468 N CA -0.142 52.912 53.050 0.006 0.000 0.878 468 N CB 0.479 38.994 38.487 0.047 0.000 1.014 468 N HN 0.511 nan 8.380 nan 0.000 0.512 469 E N -0.228 119.974 120.200 0.003 0.000 2.476 469 E HA -0.249 4.101 4.350 -0.000 0.000 0.251 469 E C 0.725 177.327 176.600 0.004 0.000 1.130 469 E CA 0.321 56.722 56.400 0.002 0.000 0.736 469 E CB -1.747 27.951 29.700 -0.003 0.000 1.298 469 E HN 0.490 nan 8.360 nan 0.000 0.400 470 G N -0.765 108.040 108.800 0.009 0.000 2.212 470 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.266 470 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.266 470 G C 0.288 175.198 174.900 0.016 0.000 0.978 470 G CA 0.605 45.712 45.100 0.011 0.000 0.632 470 G HN 0.233 nan 8.290 nan 0.000 0.537 471 Q N 1.297 121.107 119.800 0.017 0.000 2.373 471 Q HA 0.309 4.649 4.340 -0.000 0.000 0.255 471 Q C -0.018 176.012 176.000 0.050 0.000 0.980 471 Q CA -0.016 55.799 55.803 0.021 0.000 0.882 471 Q CB 0.581 29.323 28.738 0.006 0.000 1.249 471 Q HN 0.400 nan 8.270 nan 0.000 0.438 472 D N 1.617 122.050 120.400 0.056 0.000 2.390 472 D HA 0.074 4.713 4.640 -0.000 0.000 0.249 472 D C -0.736 175.668 176.300 0.173 0.000 1.144 472 D CA 0.281 54.332 54.000 0.086 0.000 0.880 472 D CB 0.301 41.136 40.800 0.058 0.000 1.182 472 D HN 0.291 nan 8.370 nan 0.000 0.451 473 Y N 2.592 122.900 120.300 0.012 0.000 2.445 473 Y HA 0.099 4.648 4.550 -0.001 0.000 0.332 473 Y C 0.957 176.884 175.900 0.045 0.000 1.037 473 Y CA -0.890 57.226 58.100 0.026 0.000 1.296 473 Y CB 0.686 39.160 38.460 0.023 0.000 1.099 473 Y HN 0.406 nan 8.280 nan 0.000 0.496 474 E N 2.677 122.863 120.200 -0.024 0.000 2.070 474 E HA -0.147 4.203 4.350 -0.000 0.000 0.197 474 E C 1.304 177.768 176.600 -0.226 0.000 1.004 474 E CA 2.095 58.438 56.400 -0.094 0.000 0.805 474 E CB 0.341 30.027 29.700 -0.023 0.000 0.744 474 E HN 0.618 nan 8.360 nan 0.000 0.451 475 V N 2.157 121.772 119.914 -0.497 0.000 2.469 475 V HA -0.237 3.882 4.120 -0.000 0.000 0.251 475 V C 2.376 178.314 176.094 -0.259 0.000 1.064 475 V CA 1.937 64.028 62.300 -0.348 0.000 1.066 475 V CB -0.685 31.001 31.823 -0.228 0.000 0.667 475 V HN 0.343 nan 8.190 nan 0.000 0.461 476 N N -0.417 117.892 118.700 -0.653 0.000 2.368 476 N HA -0.124 4.616 4.740 -0.000 0.000 0.176 476 N C 1.934 177.365 175.510 -0.132 0.000 1.021 476 N CA 0.602 53.508 53.050 -0.240 0.000 0.888 476 N CB 0.028 38.463 38.487 -0.087 0.000 0.995 476 N HN 0.407 nan 8.380 nan 0.000 0.437 477 Q N 0.736 120.462 119.800 -0.123 0.000 2.224 477 Q HA -0.074 4.265 4.340 -0.000 0.000 0.203 477 Q C 1.487 177.457 176.000 -0.051 0.000 0.970 477 Q CA 1.662 57.429 55.803 -0.059 0.000 0.865 477 Q CB -0.127 28.593 28.738 -0.031 0.000 0.922 477 Q HN 0.584 nan 8.270 nan 0.000 0.445 478 T N -1.850 112.682 114.554 -0.038 0.000 3.009 478 T HA -0.038 4.312 4.350 -0.000 0.000 0.258 478 T C 1.935 176.514 174.700 -0.201 0.000 1.063 478 T CA 0.470 62.547 62.100 -0.038 0.000 1.139 478 T CB -0.300 68.632 68.868 0.107 0.000 0.890 478 T HN 0.113 nan 8.240 nan 0.000 0.471 479 L N 1.660 122.716 121.223 -0.277 0.000 1.955 479 L HA -0.027 4.312 4.340 -0.000 0.000 0.213 479 L C 2.861 179.666 176.870 -0.107 0.000 1.072 479 L CA 1.777 56.346 54.840 -0.452 0.000 0.755 479 L CB -0.567 41.279 42.059 -0.354 0.000 0.888 479 L HN 0.131 nan 8.230 nan 0.000 0.432 480 R N -0.711 119.770 120.500 -0.032 0.000 2.162 480 R HA -0.259 4.081 4.340 -0.000 0.000 0.245 480 R C 2.289 178.643 176.300 0.089 0.000 1.129 480 R CA 2.034 58.166 56.100 0.054 0.000 0.940 480 R CB -0.826 29.436 30.300 -0.064 0.000 0.875 480 R HN 0.494 nan 8.270 nan 0.000 0.437 481 E N 0.964 121.154 120.200 -0.016 0.000 2.047 481 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 481 E C 1.510 178.083 176.600 -0.045 0.000 0.987 481 E CA 1.217 57.605 56.400 -0.020 0.000 0.799 481 E CB 0.082 29.766 29.700 -0.027 0.000 0.752 481 E HN 0.291 nan 8.360 nan 0.000 0.449 482 R N 0.684 121.123 120.500 -0.102 0.000 2.363 482 R HA 0.117 4.457 4.340 -0.000 0.000 0.236 482 R C 0.129 176.321 176.300 -0.180 0.000 0.966 482 R CA -0.057 55.966 56.100 -0.129 0.000 1.100 482 R CB 0.042 30.253 30.300 -0.147 0.000 1.125 482 R HN 0.172 nan 8.270 nan 0.000 0.514 483 Q N 0.569 120.273 119.800 -0.159 0.000 2.439 483 Q HA -0.197 4.143 4.340 -0.000 0.000 0.325 483 Q C -0.038 175.670 176.000 -0.486 0.000 1.372 483 Q CA 0.623 56.232 55.803 -0.323 0.000 0.909 483 Q CB -1.158 27.423 28.738 -0.262 0.000 1.167 483 Q HN 0.520 nan 8.270 nan 0.000 0.418 484 L N -0.316 120.644 121.223 -0.438 0.000 2.808 484 L HA 0.156 4.496 4.340 -0.000 0.000 0.246 484 L C 0.478 177.108 176.870 -0.401 0.000 1.153 484 L CA -0.338 54.238 54.840 -0.440 0.000 0.956 484 L CB 0.024 41.749 42.059 -0.557 0.000 1.270 484 L HN 0.274 nan 8.230 nan 0.000 0.528 485 Y N -2.026 118.117 120.300 -0.262 0.000 2.301 485 Y HA 0.454 5.004 4.550 -0.001 0.000 0.325 485 Y C 0.738 176.573 175.900 -0.108 0.000 1.203 485 Y CA -1.311 56.679 58.100 -0.184 0.000 1.255 485 Y CB -0.163 38.223 38.460 -0.124 0.000 1.232 485 Y HN -0.198 nan 8.280 nan 0.000 0.501 486 T N 4.875 119.486 114.554 0.095 0.000 2.908 486 T HA 0.056 4.406 4.350 -0.000 0.000 0.301 486 T C 0.162 174.978 174.700 0.192 0.000 1.019 486 T CA -0.195 61.928 62.100 0.038 0.000 1.152 486 T CB 0.008 68.888 68.868 0.020 0.000 0.966 486 T HN 0.553 nan 8.240 nan 0.000 0.540 487 K N 2.411 122.854 120.400 0.073 0.000 2.179 487 K HA 0.191 4.511 4.320 -0.000 0.000 0.238 487 K C 1.130 177.860 176.600 0.217 0.000 1.033 487 K CA -0.751 55.642 56.287 0.176 0.000 0.926 487 K CB 0.299 32.834 32.500 0.057 0.000 1.151 487 K HN 0.577 nan 8.250 nan 0.000 0.492 488 N N 0.501 119.346 118.700 0.242 0.000 2.295 488 N HA -0.001 4.739 4.740 -0.000 0.000 0.221 488 N C -0.821 174.911 175.510 0.370 0.000 1.129 488 N CA -0.046 53.206 53.050 0.336 0.000 0.836 488 N CB 0.054 38.698 38.487 0.261 0.000 1.040 488 N HN 0.301 nan 8.380 nan 0.000 0.494 489 D N 0.405 120.945 120.400 0.232 0.000 2.312 489 D HA 0.425 5.065 4.640 -0.000 0.000 0.248 489 D C 0.107 176.537 176.300 0.218 0.000 1.086 489 D CA -0.009 54.092 54.000 0.168 0.000 0.948 489 D CB 1.539 42.383 40.800 0.073 0.000 1.162 489 D HN 0.380 nan 8.370 nan 0.000 0.446 490 S N -0.996 114.778 115.700 0.124 0.000 2.578 490 S HA 0.262 4.732 4.470 -0.000 0.000 0.272 490 S C 0.154 174.771 174.600 0.029 0.000 1.145 490 S CA -0.832 57.419 58.200 0.085 0.000 0.835 490 S CB 0.462 63.728 63.200 0.110 0.000 1.104 490 S HN 0.297 nan 8.310 nan 0.000 0.458 491 L N 1.106 122.351 121.223 0.036 0.000 2.599 491 L HA 0.125 4.465 4.340 -0.000 0.000 0.230 491 L C 2.035 178.952 176.870 0.078 0.000 1.141 491 L CA 1.053 55.940 54.840 0.079 0.000 0.877 491 L CB -0.671 41.481 42.059 0.154 0.000 1.009 491 L HN 1.012 nan 8.230 nan 0.000 0.447 492 T N -5.102 109.465 114.554 0.020 0.000 2.990 492 T HA 0.233 4.582 4.350 -0.000 0.000 0.250 492 T C 1.402 176.076 174.700 -0.044 0.000 1.041 492 T CA 0.387 62.492 62.100 0.009 0.000 1.010 492 T CB 0.663 69.512 68.868 -0.033 0.000 1.003 492 T HN 0.279 nan 8.240 nan 0.000 0.499 493 G N 2.099 110.851 108.800 -0.080 0.000 2.225 493 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.264 493 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.264 493 G C -0.031 174.748 174.900 -0.202 0.000 1.060 493 G CA 0.117 45.151 45.100 -0.110 0.000 0.833 493 G HN 0.676 nan 8.290 nan 0.000 0.498 494 T N 0.721 115.063 114.554 -0.353 0.000 2.832 494 T HA 0.381 4.731 4.350 -0.000 0.000 0.296 494 T C 0.119 174.375 174.700 -0.741 0.000 0.968 494 T CA -0.119 61.661 62.100 -0.534 0.000 1.107 494 T CB 1.759 70.208 68.868 -0.699 0.000 0.916 494 T HN 0.305 nan 8.240 nan 0.000 0.517 495 D N 2.256 122.367 120.400 -0.481 0.000 2.339 495 D HA 0.100 4.740 4.640 -0.000 0.000 0.241 495 D C 0.094 176.162 176.300 -0.386 0.000 1.183 495 D CA -0.501 53.276 54.000 -0.372 0.000 0.859 495 D CB 0.341 41.032 40.800 -0.181 0.000 1.067 495 D HN 0.346 nan 8.370 nan 0.000 0.484 496 F N 2.454 122.310 119.950 -0.157 0.000 2.558 496 F HA 0.233 4.760 4.527 -0.001 0.000 0.298 496 F C 1.730 177.381 175.800 -0.249 0.000 1.119 496 F CA 0.748 58.594 58.000 -0.257 0.000 1.451 496 F CB -0.069 38.755 39.000 -0.293 0.000 1.091 496 F HN 0.561 nan 8.300 nan 0.000 0.563 497 G N 0.213 109.001 108.800 -0.020 0.000 2.348 497 G HA2 0.321 4.281 3.960 -0.000 0.000 0.606 497 G HA3 0.321 4.281 3.960 -0.000 0.000 0.606 497 G C -1.781 173.090 174.900 -0.048 0.000 1.466 497 G CA -1.060 44.012 45.100 -0.047 0.000 0.950 497 G HN -0.119 nan 8.290 nan 0.000 0.657 498 M N 1.192 120.773 119.600 -0.032 0.000 2.446 498 M HA 0.781 5.261 4.480 -0.000 0.000 0.294 498 M C 0.510 176.798 176.300 -0.020 0.000 1.158 498 M CA -0.912 54.370 55.300 -0.029 0.000 0.899 498 M CB 1.646 34.234 32.600 -0.021 0.000 1.687 498 M HN 1.410 nan 8.290 nan 0.000 0.455 499 T N -1.304 113.237 114.554 -0.021 0.000 2.922 499 T HA 0.540 4.890 4.350 -0.000 0.000 0.281 499 T C 0.339 175.032 174.700 -0.013 0.000 1.005 499 T CA -0.541 61.554 62.100 -0.009 0.000 0.982 499 T CB 0.768 69.635 68.868 -0.001 0.000 1.158 499 T HN 0.551 nan 8.240 nan 0.000 0.566 500 D N 0.004 120.399 120.400 -0.007 0.000 2.277 500 D HA -0.006 4.634 4.640 -0.000 0.000 0.208 500 D C 1.442 177.733 176.300 -0.015 0.000 0.962 500 D CA 0.625 54.620 54.000 -0.009 0.000 0.865 500 D CB -0.118 40.679 40.800 -0.004 0.000 0.939 500 D HN 0.540 nan 8.370 nan 0.000 0.510 501 D N 0.386 120.775 120.400 -0.018 0.000 2.183 501 D HA 0.033 4.673 4.640 -0.000 0.000 0.203 501 D C 1.555 177.828 176.300 -0.046 0.000 0.969 501 D CA 1.208 55.193 54.000 -0.026 0.000 0.842 501 D CB 0.338 41.124 40.800 -0.024 0.000 0.957 501 D HN 0.239 nan 8.370 nan 0.000 0.484 502 G N 1.388 110.156 108.800 -0.054 0.000 2.642 502 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.231 502 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.231 502 G C -2.581 172.235 174.900 -0.140 0.000 1.338 502 G CA -0.467 44.586 45.100 -0.078 0.000 0.883 502 G HN 0.072 nan 8.290 nan 0.000 0.570 503 P HA 0.312 nan 4.420 nan 0.000 0.276 503 P C 0.993 178.246 177.300 -0.078 0.000 1.252 503 P CA 0.646 63.662 63.100 -0.141 0.000 0.802 503 P CB 1.158 32.746 31.700 -0.186 0.000 1.035 504 S N -0.768 114.917 115.700 -0.025 0.000 2.595 504 S HA -0.102 4.367 4.470 -0.000 0.000 0.235 504 S C 0.688 175.306 174.600 0.030 0.000 0.974 504 S CA 0.792 58.991 58.200 -0.002 0.000 0.942 504 S CB -1.039 62.163 63.200 0.003 0.000 0.766 504 S HN 0.582 nan 8.310 nan 0.000 0.536 505 D N 0.225 120.664 120.400 0.064 0.000 2.599 505 D HA 0.391 5.030 4.640 -0.000 0.000 0.249 505 D C 0.099 176.535 176.300 0.227 0.000 1.313 505 D CA -0.310 53.770 54.000 0.134 0.000 0.815 505 D CB -0.036 40.853 40.800 0.148 0.000 1.077 505 D HN 0.368 nan 8.370 nan 0.000 0.492 506 A N 0.526 123.403 122.820 0.095 0.000 2.310 506 A HA 0.426 4.746 4.320 -0.000 0.000 0.299 506 A C -0.848 176.824 177.584 0.147 0.000 1.147 506 A CA -0.731 51.355 52.037 0.081 0.000 0.818 506 A CB 0.413 19.226 19.000 -0.311 0.000 1.096 506 A HN 0.310 nan 8.150 nan 0.000 0.495 507 Y N 2.726 123.117 120.300 0.151 0.000 2.569 507 Y HA 0.381 4.931 4.550 -0.000 0.000 0.332 507 Y C -0.224 175.761 175.900 0.141 0.000 1.120 507 Y CA 0.308 58.488 58.100 0.133 0.000 1.416 507 Y CB 0.069 38.612 38.460 0.138 0.000 1.210 507 Y HN 0.482 nan 8.280 nan 0.000 0.528 508 I N 6.906 127.348 120.570 -0.212 0.000 2.339 508 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 508 I C 0.632 176.725 176.117 -0.041 0.000 0.994 508 I CA -0.451 60.828 61.300 -0.035 0.000 1.191 508 I CB 1.296 39.260 38.000 -0.060 0.000 1.343 508 I HN 0.759 nan 8.210 nan 0.000 0.458 509 G N 3.475 112.471 108.800 0.326 0.000 2.667 509 G HA2 0.548 4.508 3.960 -0.000 0.000 0.310 509 G HA3 0.548 4.508 3.960 -0.000 0.000 0.310 509 G C -1.769 173.313 174.900 0.304 0.000 1.259 509 G CA -0.400 44.922 45.100 0.370 0.000 1.019 509 G HN 0.652 nan 8.290 nan 0.000 0.496 510 H N -0.983 118.209 119.070 0.204 0.000 2.759 510 H HA 0.527 5.082 4.556 -0.000 0.000 0.354 510 H C -1.313 174.128 175.328 0.189 0.000 1.074 510 H CA -0.710 55.429 56.048 0.152 0.000 1.226 510 H CB 1.832 31.634 29.762 0.067 0.000 1.648 510 H HN 0.433 nan 8.280 nan 0.000 0.529 511 L N 3.953 125.117 121.223 -0.098 0.000 2.292 511 L HA 0.383 4.723 4.340 -0.000 0.000 0.284 511 L C -0.936 175.773 176.870 -0.268 0.000 1.065 511 L CA -0.141 54.537 54.840 -0.270 0.000 0.806 511 L CB 1.086 42.859 42.059 -0.477 0.000 1.175 511 L HN 0.786 nan 8.230 nan 0.000 0.431 512 D N 2.879 123.128 120.400 -0.252 0.000 2.476 512 D HA 0.217 4.856 4.640 -0.000 0.000 0.251 512 D C -0.359 175.855 176.300 -0.143 0.000 1.291 512 D CA -0.123 53.837 54.000 -0.066 0.000 0.939 512 D CB 0.677 41.538 40.800 0.102 0.000 1.221 512 D HN 0.442 nan 8.370 nan 0.000 0.567 513 Y N 2.338 122.702 120.300 0.107 0.000 2.482 513 Y HA 0.419 4.969 4.550 -0.000 0.000 0.270 513 Y C 1.470 177.563 175.900 0.321 0.000 1.152 513 Y CA 0.820 59.054 58.100 0.223 0.000 1.292 513 Y CB 0.541 39.194 38.460 0.321 0.000 1.070 513 Y HN 0.623 nan 8.280 nan 0.000 0.528 514 G N -1.306 107.698 108.800 0.338 0.000 2.570 514 G HA2 0.216 4.176 3.960 -0.000 0.000 0.686 514 G HA3 0.216 4.176 3.960 -0.000 0.000 0.686 514 G C 0.269 175.346 174.900 0.295 0.000 1.257 514 G CA -0.498 44.775 45.100 0.289 0.000 0.846 514 G HN 0.726 nan 8.290 nan 0.000 0.627 515 G N -0.578 108.355 108.800 0.222 0.000 2.385 515 G HA2 0.343 4.303 3.960 -0.000 0.000 0.284 515 G HA3 0.343 4.303 3.960 -0.000 0.000 0.284 515 G C 2.302 177.240 174.900 0.063 0.000 0.899 515 G CA 1.553 46.725 45.100 0.121 0.000 1.204 515 G HN 3.000 nan 8.290 nan 0.000 0.486 516 G N -2.520 106.330 108.800 0.084 0.000 2.212 516 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.266 516 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.266 516 G C 0.534 175.483 174.900 0.080 0.000 0.978 516 G CA 0.481 45.623 45.100 0.069 0.000 0.632 516 G HN 1.665 nan 8.290 nan 0.000 0.537 517 V N 2.823 122.802 119.914 0.108 0.000 2.352 517 V HA 0.525 4.645 4.120 -0.000 0.000 0.253 517 V C 0.469 176.682 176.094 0.198 0.000 1.083 517 V CA 0.799 63.180 62.300 0.136 0.000 0.993 517 V CB 0.265 32.176 31.823 0.148 0.000 1.111 517 V HN 0.668 nan 8.190 nan 0.000 0.490 518 E N 4.152 124.428 120.200 0.126 0.000 2.445 518 E HA 0.786 5.135 4.350 -0.000 0.000 0.279 518 E C -1.183 175.374 176.600 -0.072 0.000 1.018 518 E CA -0.948 55.486 56.400 0.057 0.000 0.816 518 E CB 2.368 32.193 29.700 0.207 0.000 1.356 518 E HN 0.615 nan 8.360 nan 0.000 0.462 519 C N -0.231 118.860 119.300 -0.349 0.000 3.303 519 C HA 0.530 4.989 4.460 -0.000 0.000 0.340 519 C C -1.441 173.197 174.990 -0.587 0.000 1.274 519 C CA -0.884 57.933 59.018 -0.335 0.000 1.234 519 C CB 1.026 28.676 27.740 -0.150 0.000 1.532 519 C HN 0.772 nan 8.230 nan 0.000 0.483 520 D N 1.424 121.662 120.400 -0.269 0.000 2.341 520 D HA 0.639 5.279 4.640 -0.000 0.000 0.245 520 D C 0.200 176.452 176.300 -0.080 0.000 1.106 520 D CA 0.773 54.714 54.000 -0.099 0.000 0.905 520 D CB 1.713 42.521 40.800 0.014 0.000 1.202 520 D HN 1.140 nan 8.370 nan 0.000 0.426 521 A N 1.754 124.526 122.820 -0.080 0.000 2.475 521 A HA 0.676 4.996 4.320 -0.000 0.000 0.301 521 A C -0.820 176.505 177.584 -0.433 0.000 1.059 521 A CA -0.692 51.182 52.037 -0.271 0.000 0.710 521 A CB 1.065 19.841 19.000 -0.373 0.000 1.288 521 A HN 0.480 nan 8.150 nan 0.000 0.408 522 L N 0.139 121.078 121.223 -0.474 0.000 2.365 522 L HA 0.760 5.100 4.340 -0.000 0.000 0.267 522 L C -1.068 175.321 176.870 -0.800 0.000 1.033 522 L CA -0.582 54.008 54.840 -0.416 0.000 0.802 522 L CB 1.307 43.257 42.059 -0.181 0.000 1.267 522 L HN 0.719 nan 8.230 nan 0.000 0.457 523 F N -0.483 119.422 119.950 -0.074 0.000 2.601 523 F HA 0.426 4.953 4.527 -0.000 0.000 0.309 523 F C -2.454 173.245 175.800 -0.169 0.000 1.089 523 F CA -2.237 55.675 58.000 -0.146 0.000 0.940 523 F CB 1.575 40.427 39.000 -0.247 0.000 1.273 523 F HN 0.140 nan 8.300 nan 0.000 0.450 524 P HA 0.104 nan 4.420 nan 0.000 0.287 524 P C -0.791 176.089 177.300 -0.699 0.000 1.294 524 P CA -0.215 62.536 63.100 -0.582 0.000 0.776 524 P CB 0.678 31.767 31.700 -1.018 0.000 0.889 525 D N 2.967 123.138 120.400 -0.380 0.000 2.429 525 D HA -0.009 4.631 4.640 -0.000 0.000 0.253 525 D C 0.467 176.635 176.300 -0.221 0.000 1.294 525 D CA -0.031 53.819 54.000 -0.251 0.000 1.063 525 D CB -0.176 40.507 40.800 -0.195 0.000 1.096 525 D HN 0.310 nan 8.370 nan 0.000 0.516 526 W N 2.294 123.571 121.300 -0.037 0.000 2.325 526 W HA -0.083 4.577 4.660 -0.000 0.000 0.299 526 W C 2.478 178.971 176.519 -0.043 0.000 1.215 526 W CA 0.798 58.110 57.345 -0.056 0.000 1.244 526 W CB -0.333 29.050 29.460 -0.129 0.000 1.140 526 W HN 0.495 nan 8.180 nan 0.000 0.523 527 G N 0.298 109.182 108.800 0.141 0.000 2.559 527 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.216 527 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.216 527 G C 0.675 175.603 174.900 0.045 0.000 1.126 527 G CA -0.264 44.884 45.100 0.080 0.000 0.778 527 G HN 0.099 nan 8.290 nan 0.000 0.543 528 R N 1.104 121.611 120.500 0.012 0.000 2.490 528 R HA 0.268 4.608 4.340 -0.000 0.000 0.280 528 R C -2.117 174.198 176.300 0.026 0.000 1.077 528 R CA -1.553 54.540 56.100 -0.011 0.000 1.065 528 R CB 0.313 30.569 30.300 -0.074 0.000 1.003 528 R HN 0.061 nan 8.270 nan 0.000 0.470 529 P HA -0.189 nan 4.420 nan 0.000 0.264 529 P C -0.534 176.789 177.300 0.038 0.000 1.179 529 P CA 0.524 63.647 63.100 0.037 0.000 0.763 529 P CB 0.451 32.164 31.700 0.022 0.000 0.806 530 D N -0.631 119.812 120.400 0.072 0.000 2.265 530 D HA -0.154 4.485 4.640 -0.000 0.000 0.165 530 D C 1.351 177.744 176.300 0.154 0.000 1.190 530 D CA 1.090 55.147 54.000 0.094 0.000 1.121 530 D CB -1.476 39.352 40.800 0.047 0.000 1.158 530 D HN 0.171 nan 8.370 nan 0.000 0.481 531 V N 1.386 121.376 119.914 0.126 0.000 2.270 531 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 531 V C 2.860 179.186 176.094 0.388 0.000 1.043 531 V CA 2.735 65.136 62.300 0.169 0.000 1.014 531 V CB -0.682 31.142 31.823 0.002 0.000 0.645 531 V HN 0.491 nan 8.190 nan 0.000 0.447 532 A N -0.044 122.991 122.820 0.358 0.000 1.883 532 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 532 A C 2.182 179.981 177.584 0.358 0.000 1.186 532 A CA 2.313 54.603 52.037 0.422 0.000 0.624 532 A CB -0.592 18.573 19.000 0.275 0.000 0.822 532 A HN 0.579 nan 8.150 nan 0.000 0.444 533 E N -0.863 119.491 120.200 0.256 0.000 2.038 533 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 533 E C 1.715 178.430 176.600 0.192 0.000 1.000 533 E CA 1.860 58.371 56.400 0.184 0.000 0.803 533 E CB -0.590 29.196 29.700 0.144 0.000 0.750 533 E HN 0.711 nan 8.360 nan 0.000 0.448 534 W N 0.701 122.052 121.300 0.085 0.000 2.335 534 W HA -0.214 4.446 4.660 -0.001 0.000 0.311 534 W C 2.195 178.770 176.519 0.094 0.000 1.213 534 W CA 2.326 59.703 57.345 0.053 0.000 1.274 534 W CB -0.796 28.685 29.460 0.034 0.000 1.148 534 W HN 0.323 nan 8.180 nan 0.000 0.498 535 W N 1.433 122.688 121.300 -0.076 0.000 2.353 535 W HA -0.146 4.513 4.660 -0.000 0.000 0.319 535 W C 2.097 178.471 176.519 -0.242 0.000 1.207 535 W CA 2.328 59.448 57.345 -0.375 0.000 1.291 535 W CB -1.125 28.507 29.460 0.287 0.000 1.159 535 W HN 0.052 nan 8.180 nan 0.000 0.478 536 G N 0.913 109.704 108.800 -0.016 0.000 2.442 536 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.219 536 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.219 536 G C 1.326 176.115 174.900 -0.186 0.000 1.141 536 G CA 1.179 46.220 45.100 -0.098 0.000 0.763 536 G HN 0.239 nan 8.290 nan 0.000 0.554 537 N N 1.136 119.692 118.700 -0.241 0.000 2.289 537 N HA -0.073 4.667 4.740 -0.000 0.000 0.184 537 N C 1.990 177.224 175.510 -0.459 0.000 1.016 537 N CA 0.542 53.438 53.050 -0.258 0.000 0.872 537 N CB -0.307 38.070 38.487 -0.184 0.000 0.973 537 N HN 0.239 nan 8.380 nan 0.000 0.433 538 N N 0.183 118.379 118.700 -0.839 0.000 2.192 538 N HA -0.168 4.571 4.740 -0.000 0.000 0.188 538 N C 1.343 176.113 175.510 -1.232 0.000 1.013 538 N CA 0.826 53.093 53.050 -1.305 0.000 0.863 538 N CB -0.454 36.636 38.487 -2.330 0.000 0.990 538 N HN 0.451 nan 8.380 nan 0.000 0.430 539 Y N 1.566 121.249 120.300 -1.029 0.000 2.403 539 Y HA -0.052 4.498 4.550 -0.000 0.000 0.291 539 Y C 2.153 177.611 175.900 -0.737 0.000 1.143 539 Y CA 0.788 58.362 58.100 -0.877 0.000 1.257 539 Y CB 0.011 37.962 38.460 -0.850 0.000 0.984 539 Y HN 0.019 nan 8.280 nan 0.000 0.550 540 K N 0.370 120.611 120.400 -0.264 0.000 2.160 540 K HA -0.231 4.089 4.320 -0.000 0.000 0.206 540 K C 1.684 178.234 176.600 -0.084 0.000 1.047 540 K CA 1.528 57.775 56.287 -0.067 0.000 0.930 540 K CB -0.190 32.285 32.500 -0.043 0.000 0.720 540 K HN 0.319 nan 8.250 nan 0.000 0.450 541 K N 0.343 120.628 120.400 -0.192 0.000 2.439 541 K HA -0.019 4.301 4.320 -0.000 0.000 0.197 541 K C 1.525 178.121 176.600 -0.006 0.000 1.041 541 K CA 0.651 56.886 56.287 -0.087 0.000 0.970 541 K CB 0.217 32.643 32.500 -0.123 0.000 0.773 541 K HN 0.103 nan 8.250 nan 0.000 0.479 542 L N -1.817 119.352 121.223 -0.090 0.000 2.803 542 L HA 0.141 4.481 4.340 -0.000 0.000 0.246 542 L C 1.052 177.928 176.870 0.010 0.000 1.100 542 L CA -0.173 54.642 54.840 -0.040 0.000 0.919 542 L CB 0.212 42.177 42.059 -0.156 0.000 1.285 542 L HN -0.000 nan 8.230 nan 0.000 0.522 543 F N 0.669 120.639 119.950 0.034 0.000 2.293 543 F HA -0.084 4.443 4.527 -0.001 0.000 0.297 543 F C 2.775 178.616 175.800 0.069 0.000 1.089 543 F CA 1.087 59.110 58.000 0.037 0.000 1.377 543 F CB -0.801 38.229 39.000 0.050 0.000 1.051 543 F HN 0.074 nan 8.300 nan 0.000 0.511 544 S N 0.433 116.285 115.700 0.252 0.000 2.522 544 S HA -0.048 4.421 4.470 -0.000 0.000 0.227 544 S C 1.444 176.168 174.600 0.207 0.000 0.986 544 S CA 0.660 58.978 58.200 0.197 0.000 0.929 544 S CB -1.133 62.158 63.200 0.152 0.000 0.769 544 S HN 0.560 nan 8.310 nan 0.000 0.529 545 I N -2.956 117.748 120.570 0.224 0.000 3.914 545 I HA 0.684 4.854 4.170 -0.000 0.000 0.333 545 I C 1.176 177.444 176.117 0.251 0.000 1.449 545 I CA -0.012 61.428 61.300 0.234 0.000 1.135 545 I CB -0.038 38.116 38.000 0.257 0.000 1.073 545 I HN 0.259 nan 8.210 nan 0.000 0.401 546 G N 1.648 110.594 108.800 0.244 0.000 2.195 546 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.224 546 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.224 546 G C -0.029 174.917 174.900 0.078 0.000 0.990 546 G CA 0.001 45.255 45.100 0.256 0.000 0.639 546 G HN 0.425 nan 8.290 nan 0.000 0.514 547 L N 1.632 122.709 121.223 -0.242 0.000 2.540 547 L HA 0.424 4.763 4.340 -0.000 0.000 0.276 547 L C 0.967 177.832 176.870 -0.007 0.000 1.212 547 L CA 1.051 55.471 54.840 -0.700 0.000 0.893 547 L CB 0.476 41.966 42.059 -0.948 0.000 1.138 547 L HN 0.198 nan 8.230 nan 0.000 0.491 548 D N 4.764 125.181 120.400 0.028 0.000 2.323 548 D HA 0.130 4.770 4.640 -0.000 0.000 0.218 548 D C -0.022 176.563 176.300 0.477 0.000 0.973 548 D CA 1.329 55.500 54.000 0.286 0.000 0.890 548 D CB 0.343 41.293 40.800 0.250 0.000 1.011 548 D HN 0.518 nan 8.370 nan 0.000 0.499 549 F N -1.249 118.773 119.950 0.120 0.000 2.817 549 F HA 0.513 5.039 4.527 -0.001 0.000 0.317 549 F C -1.861 174.020 175.800 0.136 0.000 1.168 549 F CA -1.327 56.782 58.000 0.181 0.000 0.911 549 F CB 1.164 40.312 39.000 0.246 0.000 1.337 549 F HN -0.397 nan 8.300 nan 0.000 0.464 550 V N 1.185 121.156 119.914 0.096 0.000 2.628 550 V HA 0.336 4.456 4.120 -0.000 0.000 0.306 550 V C -1.687 174.391 176.094 -0.026 0.000 1.045 550 V CA -0.417 61.912 62.300 0.050 0.000 0.905 550 V CB 1.758 33.689 31.823 0.179 0.000 0.997 550 V HN 0.840 nan 8.190 nan 0.000 0.436 551 W N 4.731 125.880 121.300 -0.252 0.000 2.413 551 W HA 0.626 5.285 4.660 -0.001 0.000 0.308 551 W C -0.487 175.966 176.519 -0.109 0.000 0.997 551 W CA -1.239 55.930 57.345 -0.293 0.000 1.447 551 W CB 1.117 30.309 29.460 -0.448 0.000 1.263 551 W HN 0.621 nan 8.180 nan 0.000 0.416 552 Q N 3.997 123.863 119.800 0.110 0.000 2.256 552 Q HA 0.350 4.690 4.340 -0.000 0.000 0.254 552 Q C -0.982 175.043 176.000 0.043 0.000 0.916 552 Q CA 0.376 56.208 55.803 0.049 0.000 0.932 552 Q CB 1.160 29.945 28.738 0.078 0.000 1.207 552 Q HN 0.426 nan 8.270 nan 0.000 0.426 553 D N 2.600 122.960 120.400 -0.066 0.000 2.596 553 D HA 0.317 4.957 4.640 -0.000 0.000 0.234 553 D C -0.626 175.653 176.300 -0.035 0.000 1.181 553 D CA -0.313 53.634 54.000 -0.088 0.000 0.856 553 D CB 1.040 41.628 40.800 -0.354 0.000 1.498 553 D HN 0.610 nan 8.370 nan 0.000 0.446 554 M N 1.116 120.688 119.600 -0.045 0.000 2.212 554 M HA -0.168 4.311 4.480 -0.000 0.000 0.193 554 M C 0.814 177.221 176.300 0.179 0.000 0.493 554 M CA 0.987 56.283 55.300 -0.007 0.000 0.427 554 M CB -3.083 29.385 32.600 -0.220 0.000 1.120 554 M HN 0.543 nan 8.290 nan 0.000 0.929 555 T N -4.979 109.645 114.554 0.117 0.000 3.081 555 T HA 0.232 4.582 4.350 -0.000 0.000 0.250 555 T C 1.602 176.407 174.700 0.175 0.000 1.100 555 T CA 0.521 62.716 62.100 0.158 0.000 1.038 555 T CB 0.225 69.136 68.868 0.071 0.000 0.962 555 T HN 0.292 nan 8.240 nan 0.000 0.516 556 V N 1.905 121.854 119.914 0.057 0.000 2.282 556 V HA -0.035 4.084 4.120 -0.000 0.000 0.249 556 V C -1.534 174.393 176.094 -0.279 0.000 1.057 556 V CA 1.108 63.368 62.300 -0.066 0.000 1.032 556 V CB -1.614 30.126 31.823 -0.138 0.000 0.645 556 V HN 0.427 nan 8.190 nan 0.000 0.447 557 P HA 0.227 nan 4.420 nan 0.000 0.271 557 P C -0.673 176.581 177.300 -0.076 0.000 1.216 557 P CA 0.264 63.233 63.100 -0.218 0.000 0.771 557 P CB 0.565 31.810 31.700 -0.758 0.000 0.864 558 A N 5.183 128.106 122.820 0.173 0.000 2.805 558 A HA 0.309 4.629 4.320 -0.000 0.000 0.301 558 A C 0.362 178.021 177.584 0.126 0.000 1.557 558 A CA -0.250 51.804 52.037 0.028 0.000 1.254 558 A CB -0.959 18.019 19.000 -0.037 0.000 1.114 558 A HN 0.457 nan 8.150 nan 0.000 0.553 559 M N 1.821 121.464 119.600 0.073 0.000 2.291 559 M HA 0.315 4.794 4.480 -0.000 0.000 0.324 559 M C 0.568 176.881 176.300 0.021 0.000 1.148 559 M CA -0.193 55.188 55.300 0.135 0.000 1.104 559 M CB 1.153 33.751 32.600 -0.004 0.000 1.483 559 M HN 0.687 nan 8.290 nan 0.000 0.467 560 M N 4.550 124.202 119.600 0.087 0.000 2.248 560 M HA 0.139 4.619 4.480 -0.000 0.000 0.345 560 M C -2.028 174.315 176.300 0.072 0.000 1.243 560 M CA -1.198 54.152 55.300 0.083 0.000 1.090 560 M CB 0.508 33.204 32.600 0.160 0.000 1.683 560 M HN 0.253 nan 8.290 nan 0.000 0.450 561 P HA -0.093 nan 4.420 nan 0.000 0.261 561 P C -1.382 176.053 177.300 0.225 0.000 1.173 561 P CA 0.890 64.060 63.100 0.117 0.000 0.760 561 P CB 0.115 31.981 31.700 0.277 0.000 0.783 562 H N 2.068 121.196 119.070 0.096 0.000 2.947 562 H HA 0.298 4.853 4.556 -0.000 0.000 0.354 562 H C -1.148 174.394 175.328 0.356 0.000 1.085 562 H CA -0.839 55.319 56.048 0.183 0.000 1.253 562 H CB 2.016 31.874 29.762 0.161 0.000 1.757 562 H HN 0.354 nan 8.280 nan 0.000 0.523 563 K N 6.228 126.531 120.400 -0.163 0.000 2.185 563 K HA 0.257 4.577 4.320 -0.000 0.000 0.269 563 K C 0.057 176.433 176.600 -0.374 0.000 0.987 563 K CA -0.749 55.508 56.287 -0.049 0.000 0.865 563 K CB 0.836 33.165 32.500 -0.285 0.000 1.090 563 K HN 0.395 nan 8.250 nan 0.000 0.450 564 I N 3.192 123.742 120.570 -0.034 0.000 2.880 564 I HA -0.090 4.080 4.170 -0.000 0.000 0.296 564 I C 1.556 177.599 176.117 -0.124 0.000 1.220 564 I CA 1.849 63.100 61.300 -0.082 0.000 1.435 564 I CB -0.028 37.926 38.000 -0.076 0.000 1.339 564 I HN 1.134 nan 8.210 nan 0.000 0.583 565 G N 4.686 113.440 108.800 -0.077 0.000 2.217 565 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.246 565 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.246 565 G C 0.029 174.888 174.900 -0.069 0.000 0.990 565 G CA -0.154 44.901 45.100 -0.075 0.000 0.627 565 G HN 0.560 nan 8.290 nan 0.000 0.522 566 D N 1.427 121.771 120.400 -0.094 0.000 2.229 566 D HA 0.503 5.143 4.640 -0.000 0.000 0.249 566 D C 0.042 176.421 176.300 0.132 0.000 1.027 566 D CA -0.522 53.450 54.000 -0.046 0.000 0.923 566 D CB 0.831 41.538 40.800 -0.156 0.000 1.174 566 D HN 0.113 nan 8.370 nan 0.000 0.443 567 D N 0.620 121.068 120.400 0.080 0.000 2.506 567 D HA -0.025 4.615 4.640 -0.000 0.000 0.234 567 D C 1.485 177.874 176.300 0.148 0.000 1.143 567 D CA 0.088 54.140 54.000 0.086 0.000 0.871 567 D CB 0.640 41.456 40.800 0.027 0.000 1.190 567 D HN 0.297 nan 8.370 nan 0.000 0.459 568 I N 1.617 122.224 120.570 0.063 0.000 2.208 568 I HA -0.339 3.830 4.170 -0.000 0.000 0.245 568 I C 1.833 177.881 176.117 -0.115 0.000 1.097 568 I CA 1.263 62.531 61.300 -0.053 0.000 1.363 568 I CB -0.296 37.673 38.000 -0.052 0.000 1.051 568 I HN 0.420 nan 8.210 nan 0.000 0.413 569 N N 0.201 118.781 118.700 -0.200 0.000 2.521 569 N HA -0.035 4.704 4.740 -0.000 0.000 0.188 569 N C -0.039 175.291 175.510 -0.300 0.000 1.146 569 N CA 0.354 53.068 53.050 -0.561 0.000 0.893 569 N CB -0.416 37.914 38.487 -0.263 0.000 0.975 569 N HN 0.107 nan 8.380 nan 0.000 0.451 570 V N 1.365 121.228 119.914 -0.084 0.000 2.370 570 V HA 0.221 4.341 4.120 -0.000 0.000 0.283 570 V C 0.178 176.302 176.094 0.051 0.000 1.023 570 V CA -1.077 61.215 62.300 -0.014 0.000 0.857 570 V CB 1.177 32.998 31.823 -0.003 0.000 0.985 570 V HN 0.351 nan 8.190 nan 0.000 0.443 571 K N 5.698 126.122 120.400 0.041 0.000 2.087 571 K HA 0.734 5.053 4.320 -0.000 0.000 0.255 571 K C -2.742 173.893 176.600 0.059 0.000 0.988 571 K CA -1.717 54.623 56.287 0.089 0.000 0.915 571 K CB 0.863 33.429 32.500 0.109 0.000 1.043 571 K HN 0.305 nan 8.250 nan 0.000 0.457 572 P HA -0.038 nan 4.420 nan 0.000 0.274 572 P C -0.763 176.583 177.300 0.078 0.000 1.260 572 P CA -0.387 62.735 63.100 0.036 0.000 0.793 572 P CB 0.340 32.129 31.700 0.148 0.000 1.048 573 D N -0.205 120.222 120.400 0.045 0.000 2.506 573 D HA -0.066 4.573 4.640 -0.000 0.000 0.234 573 D C 1.538 177.945 176.300 0.178 0.000 1.143 573 D CA 0.710 54.768 54.000 0.098 0.000 0.871 573 D CB 0.786 41.639 40.800 0.089 0.000 1.190 573 D HN 0.483 nan 8.370 nan 0.000 0.459 574 G N 3.883 112.784 108.800 0.169 0.000 2.432 574 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.219 574 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.219 574 G C 1.375 176.478 174.900 0.339 0.000 1.135 574 G CA 0.167 45.402 45.100 0.224 0.000 0.767 574 G HN 0.528 nan 8.290 nan 0.000 0.550 575 N N -0.788 118.106 118.700 0.323 0.000 2.459 575 N HA -0.021 4.719 4.740 -0.000 0.000 0.181 575 N C 0.148 175.788 175.510 0.215 0.000 1.046 575 N CA 0.225 53.507 53.050 0.387 0.000 0.904 575 N CB 0.011 38.689 38.487 0.318 0.000 0.964 575 N HN 0.528 nan 8.380 nan 0.000 0.444 576 W N 3.060 124.346 121.300 -0.025 0.000 2.438 576 W HA 0.346 5.006 4.660 -0.000 0.000 0.324 576 W C -2.133 174.120 176.519 -0.444 0.000 1.119 576 W CA -1.832 55.407 57.345 -0.177 0.000 1.221 576 W CB 0.931 30.303 29.460 -0.148 0.000 1.253 576 W HN -0.109 nan 8.180 nan 0.000 0.555 577 P HA 0.201 nan 4.420 nan 0.000 0.274 577 P C -1.405 175.447 177.300 -0.747 0.000 1.256 577 P CA -0.098 61.959 63.100 -1.739 0.000 0.795 577 P CB 1.324 31.987 31.700 -1.728 0.000 1.038 578 N N -2.339 116.037 118.700 -0.540 0.000 2.934 578 N HA 0.455 5.195 4.740 -0.000 0.000 0.253 578 N C 0.545 175.889 175.510 -0.277 0.000 1.466 578 N CA -0.754 52.101 53.050 -0.324 0.000 0.858 578 N CB -0.053 38.310 38.487 -0.207 0.000 1.459 578 N HN 0.155 nan 8.380 nan 0.000 0.532 579 A N -0.479 122.133 122.820 -0.347 0.000 1.940 579 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 579 A C 1.142 178.604 177.584 -0.204 0.000 1.176 579 A CA 1.840 53.649 52.037 -0.379 0.000 0.631 579 A CB -0.827 17.681 19.000 -0.821 0.000 0.814 579 A HN 0.752 nan 8.150 nan 0.000 0.446 580 D N -0.961 119.360 120.400 -0.131 0.000 2.249 580 D HA -0.022 4.618 4.640 -0.000 0.000 0.205 580 D C -0.096 176.230 176.300 0.044 0.000 0.962 580 D CA 0.812 54.828 54.000 0.027 0.000 0.860 580 D CB 0.087 40.943 40.800 0.094 0.000 0.955 580 D HN 0.332 nan 8.370 nan 0.000 0.505 581 D N 0.632 121.045 120.400 0.022 0.000 2.502 581 D HA 0.171 4.811 4.640 -0.000 0.000 0.301 581 D C -2.537 173.757 176.300 -0.010 0.000 1.202 581 D CA -1.988 52.079 54.000 0.113 0.000 0.878 581 D CB 1.499 42.458 40.800 0.265 0.000 1.062 581 D HN -0.024 nan 8.370 nan 0.000 0.499 582 P HA 0.065 nan 4.420 nan 0.000 0.277 582 P C 0.988 178.209 177.300 -0.132 0.000 1.276 582 P CA -0.276 62.745 63.100 -0.132 0.000 0.788 582 P CB 1.181 32.875 31.700 -0.010 0.000 1.114 583 S N 0.068 115.665 115.700 -0.170 0.000 2.368 583 S HA -0.120 4.350 4.470 -0.000 0.000 0.224 583 S C 0.583 175.337 174.600 0.257 0.000 1.029 583 S CA 0.779 58.930 58.200 -0.082 0.000 0.988 583 S CB -1.289 61.947 63.200 0.059 0.000 0.838 583 S HN 0.526 nan 8.310 nan 0.000 0.462 584 N N 1.216 120.059 118.700 0.239 0.000 2.686 584 N HA -0.177 4.562 4.740 -0.000 0.000 0.261 584 N C 0.619 176.299 175.510 0.284 0.000 1.001 584 N CA 1.054 54.251 53.050 0.245 0.000 0.764 584 N CB -2.084 36.527 38.487 0.206 0.000 0.898 584 N HN 0.839 nan 8.380 nan 0.000 0.544 585 G N -0.652 108.358 108.800 0.350 0.000 2.225 585 G HA2 -0.366 3.593 3.960 -0.000 0.000 0.267 585 G HA3 -0.366 3.593 3.960 -0.000 0.000 0.267 585 G C 0.702 175.806 174.900 0.341 0.000 1.024 585 G CA 1.060 46.378 45.100 0.362 0.000 0.784 585 G HN 0.640 nan 8.290 nan 0.000 0.507 586 Q N -2.188 117.859 119.800 0.411 0.000 2.369 586 Q HA 0.240 4.580 4.340 -0.000 0.000 0.254 586 Q C 0.631 176.990 176.000 0.599 0.000 0.858 586 Q CA -0.305 55.747 55.803 0.415 0.000 0.961 586 Q CB 0.832 29.792 28.738 0.371 0.000 1.119 586 Q HN 0.460 nan 8.270 nan 0.000 0.538 587 Y N 4.013 124.556 120.300 0.404 0.000 2.436 587 Y HA 0.007 4.556 4.550 -0.000 0.000 0.336 587 Y C 0.954 176.945 175.900 0.151 0.000 1.049 587 Y CA -1.050 57.147 58.100 0.162 0.000 1.294 587 Y CB 0.427 38.568 38.460 -0.531 0.000 1.179 587 Y HN 0.192 nan 8.280 nan 0.000 0.520 588 N N 3.497 122.081 118.700 -0.194 0.000 2.635 588 N HA -0.216 4.523 4.740 -0.000 0.000 0.191 588 N C -0.055 175.256 175.510 -0.332 0.000 1.155 588 N CA 0.524 53.248 53.050 -0.543 0.000 0.927 588 N CB -0.849 37.002 38.487 -1.060 0.000 0.976 588 N HN 0.761 nan 8.380 nan 0.000 0.448 589 W N 0.941 121.813 121.300 -0.714 0.000 6.719 589 W HA -0.280 4.379 4.660 -0.000 0.000 0.406 589 W C -0.084 176.280 176.519 -0.259 0.000 1.551 589 W CA 0.786 57.905 57.345 -0.377 0.000 1.103 589 W CB -2.238 27.348 29.460 0.211 0.000 2.735 589 W HN 0.191 nan 8.180 nan 0.000 1.586 590 K N -1.507 118.669 120.400 -0.373 0.000 3.071 590 K HA -0.253 4.066 4.320 -0.000 0.000 0.262 590 K C 0.363 176.778 176.600 -0.308 0.000 0.977 590 K CA 1.262 57.346 56.287 -0.339 0.000 0.721 590 K CB -1.267 30.946 32.500 -0.479 0.000 1.293 590 K HN 0.426 nan 8.250 nan 0.000 0.475 591 T N -2.062 112.330 114.554 -0.270 0.000 2.661 591 T HA 0.266 4.616 4.350 -0.000 0.000 0.305 591 T C -1.352 173.129 174.700 -0.365 0.000 1.535 591 T CA -0.851 61.054 62.100 -0.325 0.000 1.000 591 T CB 0.337 69.035 68.868 -0.283 0.000 1.811 591 T HN 0.118 nan 8.240 nan 0.000 0.471 592 Y N 2.569 122.547 120.300 -0.536 0.000 2.805 592 Y HA 0.121 4.671 4.550 -0.001 0.000 0.337 592 Y C 1.501 177.221 175.900 -0.301 0.000 1.252 592 Y CA 0.571 58.296 58.100 -0.626 0.000 1.515 592 Y CB 0.106 38.071 38.460 -0.825 0.000 1.305 592 Y HN 0.402 nan 8.280 nan 0.000 0.600 593 H N 6.339 125.477 119.070 0.113 0.000 3.046 593 H HA -0.022 4.533 4.556 -0.000 0.000 0.303 593 H C -1.383 173.996 175.328 0.085 0.000 1.002 593 H CA -0.966 55.210 56.048 0.213 0.000 1.460 593 H CB 0.726 30.787 29.762 0.499 0.000 1.493 593 H HN 0.496 nan 8.280 nan 0.000 0.559 594 P HA -0.143 nan 4.420 nan 0.000 0.231 594 P C 0.576 177.906 177.300 0.050 0.000 1.154 594 P CA 1.045 64.245 63.100 0.168 0.000 0.762 594 P CB 0.416 32.320 31.700 0.341 0.000 0.790 595 Q N -0.914 118.880 119.800 -0.010 0.000 2.391 595 Q HA 0.088 4.427 4.340 -0.000 0.000 0.211 595 Q C 0.878 176.877 176.000 -0.001 0.000 0.908 595 Q CA -0.076 55.585 55.803 -0.238 0.000 0.920 595 Q CB -0.541 28.046 28.738 -0.252 0.000 1.056 595 Q HN 0.052 nan 8.270 nan 0.000 0.523 596 V N 1.865 121.746 119.914 -0.055 0.000 2.681 596 V HA -0.113 4.007 4.120 -0.000 0.000 0.306 596 V C -0.162 175.786 176.094 -0.242 0.000 1.077 596 V CA 0.360 62.507 62.300 -0.255 0.000 1.224 596 V CB 0.114 31.495 31.823 -0.737 0.000 0.879 596 V HN 0.280 nan 8.190 nan 0.000 0.494 597 L N 8.103 129.249 121.223 -0.129 0.000 2.342 597 L HA 0.337 4.676 4.340 -0.000 0.000 0.285 597 L C -0.011 176.733 176.870 -0.209 0.000 1.095 597 L CA -0.186 54.566 54.840 -0.148 0.000 0.843 597 L CB 0.946 42.966 42.059 -0.066 0.000 1.201 597 L HN 0.687 nan 8.230 nan 0.000 0.445 598 V N 0.093 119.853 119.914 -0.255 0.000 2.769 598 V HA 0.539 4.659 4.120 -0.000 0.000 0.312 598 V C 0.394 176.398 176.094 -0.149 0.000 1.058 598 V CA -0.667 61.479 62.300 -0.256 0.000 0.952 598 V CB 1.612 33.226 31.823 -0.349 0.000 1.019 598 V HN 0.582 nan 8.190 nan 0.000 0.445 599 T N 2.581 117.069 114.554 -0.110 0.000 2.901 599 T HA 0.110 4.460 4.350 -0.000 0.000 0.301 599 T C -0.028 174.659 174.700 -0.022 0.000 1.012 599 T CA 0.254 62.321 62.100 -0.055 0.000 1.135 599 T CB 0.256 69.097 68.868 -0.045 0.000 0.936 599 T HN 0.929 nan 8.240 nan 0.000 0.539 600 D N 2.491 122.899 120.400 0.014 0.000 2.451 600 D HA 0.012 4.652 4.640 -0.000 0.000 0.254 600 D C 0.923 177.234 176.300 0.018 0.000 1.204 600 D CA 0.303 54.327 54.000 0.039 0.000 0.896 600 D CB 0.591 41.487 40.800 0.161 0.000 1.136 600 D HN 0.498 nan 8.370 nan 0.000 0.499 601 M N 3.093 122.673 119.600 -0.033 0.000 2.447 601 M HA -0.010 4.470 4.480 -0.000 0.000 0.264 601 M C 1.852 178.070 176.300 -0.137 0.000 1.095 601 M CA 0.566 55.836 55.300 -0.050 0.000 1.125 601 M CB 0.308 32.877 32.600 -0.052 0.000 1.389 601 M HN 0.240 nan 8.290 nan 0.000 0.459 602 R N -0.550 119.799 120.500 -0.250 0.000 2.075 602 R HA -0.012 4.328 4.340 -0.000 0.000 0.226 602 R C -0.340 175.549 176.300 -0.685 0.000 1.114 602 R CA 0.874 56.633 56.100 -0.567 0.000 0.972 602 R CB 0.109 29.892 30.300 -0.862 0.000 0.869 602 R HN 0.207 nan 8.270 nan 0.000 0.437 603 Y N 1.439 121.737 120.300 -0.003 0.000 2.329 603 Y HA 0.170 4.720 4.550 -0.001 0.000 0.328 603 Y C -0.350 175.574 175.900 0.041 0.000 0.992 603 Y CA -1.820 56.267 58.100 -0.021 0.000 1.151 603 Y CB 0.972 39.342 38.460 -0.150 0.000 1.150 603 Y HN 0.039 nan 8.280 nan 0.000 0.450 604 E N 1.551 121.847 120.200 0.160 0.000 2.398 604 E HA 0.064 4.413 4.350 -0.000 0.000 0.263 604 E C -0.478 176.205 176.600 0.138 0.000 1.046 604 E CA -0.261 56.212 56.400 0.122 0.000 0.908 604 E CB 0.269 30.021 29.700 0.087 0.000 0.963 604 E HN 0.817 nan 8.360 nan 0.000 0.431 605 N N 0.851 119.619 118.700 0.112 0.000 2.701 605 N HA -0.273 4.466 4.740 -0.000 0.000 0.252 605 N C -0.208 175.399 175.510 0.161 0.000 1.002 605 N CA 0.711 53.822 53.050 0.103 0.000 0.758 605 N CB -0.835 37.695 38.487 0.073 0.000 0.937 605 N HN 0.573 nan 8.380 nan 0.000 0.538 606 H N -0.434 118.672 119.070 0.060 0.000 2.705 606 H HA 0.341 4.896 4.556 -0.000 0.000 0.269 606 H C 1.228 176.581 175.328 0.042 0.000 0.998 606 H CA 1.380 57.462 56.048 0.056 0.000 1.193 606 H CB 0.339 30.171 29.762 0.117 0.000 1.485 606 H HN 0.502 nan 8.280 nan 0.000 0.521 607 G N 0.441 109.251 108.800 0.017 0.000 2.472 607 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.205 607 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.205 607 G C -1.155 173.726 174.900 -0.033 0.000 1.270 607 G CA -0.535 44.535 45.100 -0.050 0.000 0.974 607 G HN 0.404 nan 8.290 nan 0.000 0.542 608 R N 0.572 121.039 120.500 -0.055 0.000 2.562 608 R HA 0.678 5.018 4.340 -0.000 0.000 0.298 608 R C -0.492 175.773 176.300 -0.059 0.000 0.961 608 R CA -0.915 55.151 56.100 -0.058 0.000 0.881 608 R CB 2.197 32.453 30.300 -0.074 0.000 1.159 608 R HN 0.581 nan 8.270 nan 0.000 0.450 609 E N 2.136 122.291 120.200 -0.074 0.000 2.299 609 E HA 0.467 4.816 4.350 -0.000 0.000 0.260 609 E C -2.586 173.880 176.600 -0.223 0.000 0.944 609 E CA -2.316 54.016 56.400 -0.113 0.000 0.815 609 E CB 1.542 31.216 29.700 -0.043 0.000 1.252 609 E HN 0.261 nan 8.360 nan 0.000 0.418 610 P HA 0.190 nan 4.420 nan 0.000 0.284 610 P C 0.607 177.741 177.300 -0.277 0.000 1.258 610 P CA -0.547 62.370 63.100 -0.305 0.000 0.824 610 P CB 0.620 32.154 31.700 -0.276 0.000 1.038 611 M N 3.437 122.876 119.600 -0.269 0.000 2.143 611 M HA -0.170 4.310 4.480 -0.000 0.000 0.258 611 M C 1.732 177.917 176.300 -0.191 0.000 1.071 611 M CA 1.796 56.938 55.300 -0.263 0.000 1.088 611 M CB -1.513 30.888 32.600 -0.331 0.000 1.360 611 M HN 0.149 nan 8.290 nan 0.000 0.404 612 V N 0.054 119.895 119.914 -0.122 0.000 2.439 612 V HA -0.329 3.791 4.120 -0.000 0.000 0.253 612 V C 2.274 178.233 176.094 -0.225 0.000 1.074 612 V CA 2.824 65.077 62.300 -0.079 0.000 1.076 612 V CB -1.045 30.817 31.823 0.066 0.000 0.664 612 V HN 0.851 nan 8.190 nan 0.000 0.461 613 T N -1.138 113.188 114.554 -0.380 0.000 2.915 613 T HA -0.194 4.155 4.350 -0.000 0.000 0.269 613 T C 1.329 175.914 174.700 -0.192 0.000 1.071 613 T CA 1.487 63.362 62.100 -0.374 0.000 1.132 613 T CB -0.221 68.469 68.868 -0.296 0.000 0.878 613 T HN 0.806 nan 8.240 nan 0.000 0.479 614 Q N -0.352 119.331 119.800 -0.194 0.000 2.063 614 Q HA 0.340 4.680 4.340 -0.000 0.000 0.245 614 Q C 1.610 177.490 176.000 -0.200 0.000 0.828 614 Q CA -0.587 55.095 55.803 -0.201 0.000 1.089 614 Q CB -0.002 28.620 28.738 -0.193 0.000 1.232 614 Q HN 0.377 nan 8.270 nan 0.000 0.445 615 R N 1.254 121.641 120.500 -0.190 0.000 2.174 615 R HA -0.148 4.191 4.340 -0.000 0.000 0.253 615 R C 0.191 176.375 176.300 -0.195 0.000 1.165 615 R CA 2.061 58.041 56.100 -0.202 0.000 0.984 615 R CB 0.140 30.285 30.300 -0.258 0.000 0.873 615 R HN 0.275 nan 8.270 nan 0.000 0.456 616 N N -0.168 118.393 118.700 -0.232 0.000 2.314 616 N HA 0.044 4.783 4.740 -0.000 0.000 0.200 616 N C 0.865 176.213 175.510 -0.271 0.000 1.135 616 N CA 0.289 53.201 53.050 -0.231 0.000 0.835 616 N CB 0.441 38.785 38.487 -0.238 0.000 0.989 616 N HN 0.334 nan 8.380 nan 0.000 0.478 617 I N -0.686 119.731 120.570 -0.256 0.000 4.070 617 I HA -0.026 4.144 4.170 -0.000 0.000 0.328 617 I C 2.086 178.151 176.117 -0.087 0.000 1.298 617 I CA 0.092 61.248 61.300 -0.240 0.000 1.173 617 I CB 0.159 37.949 38.000 -0.349 0.000 1.051 617 I HN 0.191 nan 8.210 nan 0.000 0.409 618 H N 1.727 120.707 119.070 -0.150 0.000 2.270 618 H HA -0.181 4.374 4.556 -0.001 0.000 0.299 618 H C 2.039 177.231 175.328 -0.227 0.000 1.077 618 H CA 2.114 58.071 56.048 -0.151 0.000 1.294 618 H CB 0.021 29.740 29.762 -0.073 0.000 1.371 618 H HN 0.367 nan 8.280 nan 0.000 0.491 619 A N 0.830 123.625 122.820 -0.042 0.000 1.884 619 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 619 A C 2.518 179.992 177.584 -0.184 0.000 1.197 619 A CA 2.021 53.995 52.037 -0.105 0.000 0.637 619 A CB -1.777 17.246 19.000 0.038 0.000 0.827 619 A HN 0.748 nan 8.150 nan 0.000 0.450 620 Y N 0.894 121.087 120.300 -0.178 0.000 2.165 620 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 620 Y C 2.577 178.278 175.900 -0.332 0.000 1.155 620 Y CA 2.403 60.449 58.100 -0.089 0.000 1.164 620 Y CB -0.436 38.060 38.460 0.059 0.000 0.978 620 Y HN 0.312 nan 8.280 nan 0.000 0.513 621 T N 1.209 115.602 114.554 -0.269 0.000 2.951 621 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 621 T C 1.660 175.677 174.700 -1.139 0.000 1.073 621 T CA 1.048 62.810 62.100 -0.564 0.000 1.134 621 T CB -0.400 68.193 68.868 -0.458 0.000 0.884 621 T HN 0.303 nan 8.240 nan 0.000 0.479 622 L N 1.256 121.664 121.223 -1.358 0.000 1.976 622 L HA -0.032 4.307 4.340 -0.000 0.000 0.209 622 L C 2.428 178.804 176.870 -0.824 0.000 1.071 622 L CA 1.670 55.617 54.840 -1.488 0.000 0.746 622 L CB -1.246 40.241 42.059 -0.954 0.000 0.890 622 L HN 0.256 nan 8.230 nan 0.000 0.432 623 C N 0.057 118.995 119.300 -0.603 0.000 2.413 623 C HA -0.174 4.286 4.460 -0.000 0.000 0.277 623 C C 2.729 177.235 174.990 -0.808 0.000 1.265 623 C CA 1.154 59.882 59.018 -0.483 0.000 1.752 623 C CB -1.090 26.467 27.740 -0.305 0.000 1.998 623 C HN 0.723 nan 8.230 nan 0.000 0.489 624 E N 0.993 120.396 120.200 -1.328 0.000 2.072 624 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 624 E C 2.071 178.254 176.600 -0.696 0.000 0.985 624 E CA 1.594 56.998 56.400 -1.659 0.000 0.801 624 E CB -0.027 28.774 29.700 -1.499 0.000 0.750 624 E HN 0.610 nan 8.360 nan 0.000 0.452 625 S N 0.089 115.504 115.700 -0.476 0.000 2.368 625 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 625 S C 2.021 176.671 174.600 0.083 0.000 1.029 625 S CA 1.382 59.527 58.200 -0.091 0.000 0.988 625 S CB -0.419 62.828 63.200 0.077 0.000 0.838 625 S HN 0.338 nan 8.310 nan 0.000 0.462 626 T N 2.359 116.966 114.554 0.088 0.000 2.607 626 T HA -0.181 4.168 4.350 -0.000 0.000 0.267 626 T C 1.953 176.525 174.700 -0.213 0.000 1.049 626 T CA 1.876 63.953 62.100 -0.037 0.000 1.162 626 T CB -0.335 68.566 68.868 0.056 0.000 0.863 626 T HN 0.285 nan 8.240 nan 0.000 0.424 627 R N 1.424 121.806 120.500 -0.198 0.000 2.097 627 R HA -0.085 4.254 4.340 -0.000 0.000 0.236 627 R C 2.299 178.544 176.300 -0.092 0.000 1.135 627 R CA 2.124 58.146 56.100 -0.130 0.000 0.934 627 R CB -0.489 29.764 30.300 -0.078 0.000 0.846 627 R HN 0.366 nan 8.270 nan 0.000 0.431 628 K N -0.740 119.601 120.400 -0.099 0.000 2.021 628 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 628 K C 1.747 178.332 176.600 -0.024 0.000 1.047 628 K CA 1.712 57.972 56.287 -0.045 0.000 0.943 628 K CB 0.040 32.517 32.500 -0.039 0.000 0.725 628 K HN 0.129 nan 8.250 nan 0.000 0.439 629 E N -0.837 119.358 120.200 -0.008 0.000 2.385 629 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 629 E C 1.201 177.787 176.600 -0.023 0.000 1.013 629 E CA 0.633 57.044 56.400 0.017 0.000 0.866 629 E CB 0.640 30.390 29.700 0.084 0.000 0.832 629 E HN 0.467 nan 8.360 nan 0.000 0.500 630 G N 0.316 109.055 108.800 -0.101 0.000 2.682 630 G HA2 -0.034 3.925 3.960 -0.000 0.000 0.221 630 G HA3 -0.034 3.925 3.960 -0.000 0.000 0.221 630 G C 1.446 176.348 174.900 0.003 0.000 1.386 630 G CA -0.014 44.961 45.100 -0.208 0.000 0.909 630 G HN 0.101 nan 8.290 nan 0.000 0.558 631 I N 0.511 121.051 120.570 -0.049 0.000 2.226 631 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 631 I C 2.723 178.803 176.117 -0.061 0.000 1.100 631 I CA 0.596 61.872 61.300 -0.040 0.000 1.374 631 I CB -0.234 37.735 38.000 -0.052 0.000 1.057 631 I HN 0.035 nan 8.210 nan 0.000 0.413 632 V N 0.367 120.256 119.914 -0.040 0.000 2.300 632 V HA -0.177 3.942 4.120 -0.000 0.000 0.241 632 V C 2.339 178.422 176.094 -0.018 0.000 1.034 632 V CA 1.606 63.888 62.300 -0.030 0.000 1.021 632 V CB -0.563 31.246 31.823 -0.022 0.000 0.662 632 V HN 0.353 nan 8.190 nan 0.000 0.458 633 E N 0.613 120.810 120.200 -0.005 0.000 2.160 633 E HA -0.181 4.168 4.350 -0.000 0.000 0.195 633 E C 1.004 177.613 176.600 0.015 0.000 0.991 633 E CA 1.174 57.578 56.400 0.007 0.000 0.810 633 E CB -0.121 29.587 29.700 0.013 0.000 0.742 633 E HN 0.577 nan 8.360 nan 0.000 0.466 634 N N -0.390 118.328 118.700 0.030 0.000 2.275 634 N HA 0.165 4.904 4.740 -0.000 0.000 0.236 634 N C 0.886 176.401 175.510 0.009 0.000 1.154 634 N CA 0.218 53.306 53.050 0.063 0.000 0.866 634 N CB 1.055 39.636 38.487 0.155 0.000 1.093 634 N HN 0.024 nan 8.380 nan 0.000 0.515 635 A N 1.291 124.080 122.820 -0.052 0.000 1.958 635 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 635 A C 1.690 179.232 177.584 -0.069 0.000 1.178 635 A CA 1.605 53.580 52.037 -0.104 0.000 0.642 635 A CB -0.220 18.739 19.000 -0.068 0.000 0.816 635 A HN 0.099 nan 8.150 nan 0.000 0.453 636 D N -0.774 119.612 120.400 -0.022 0.000 2.221 636 D HA -0.112 4.527 4.640 -0.000 0.000 0.204 636 D C 2.065 178.372 176.300 0.012 0.000 0.982 636 D CA 1.868 55.865 54.000 -0.004 0.000 0.857 636 D CB -0.423 40.383 40.800 0.009 0.000 0.934 636 D HN 0.693 nan 8.370 nan 0.000 0.475 637 T N -2.261 112.313 114.554 0.032 0.000 3.081 637 T HA 0.137 4.486 4.350 -0.000 0.000 0.250 637 T C 1.031 175.782 174.700 0.085 0.000 1.100 637 T CA -0.316 61.837 62.100 0.088 0.000 1.038 637 T CB -0.056 68.906 68.868 0.156 0.000 0.962 637 T HN -0.099 nan 8.240 nan 0.000 0.516 638 L N 2.570 123.756 121.223 -0.062 0.000 2.479 638 L HA 0.274 4.614 4.340 -0.000 0.000 0.270 638 L C 2.034 178.916 176.870 0.020 0.000 1.236 638 L CA 0.481 55.265 54.840 -0.093 0.000 0.823 638 L CB 0.725 42.644 42.059 -0.233 0.000 1.098 638 L HN 0.413 nan 8.230 nan 0.000 0.500 639 T N -2.676 111.921 114.554 0.072 0.000 3.610 639 T HA 0.119 4.469 4.350 -0.000 0.000 0.209 639 T C 1.488 176.156 174.700 -0.053 0.000 0.889 639 T CA -0.166 61.966 62.100 0.053 0.000 1.469 639 T CB -0.193 68.761 68.868 0.143 0.000 1.557 639 T HN 0.363 nan 8.240 nan 0.000 0.431 640 K N 0.402 120.725 120.400 -0.128 0.000 2.057 640 K HA 0.136 4.455 4.320 -0.000 0.000 0.206 640 K C -0.302 175.961 176.600 -0.562 0.000 1.050 640 K CA 1.010 57.045 56.287 -0.419 0.000 0.935 640 K CB -0.150 31.983 32.500 -0.612 0.000 0.715 640 K HN 0.367 nan 8.250 nan 0.000 0.439 641 F N 0.081 120.041 119.950 0.016 0.000 2.477 641 F HA 0.343 4.870 4.527 -0.000 0.000 0.335 641 F C 1.141 176.942 175.800 0.002 0.000 1.130 641 F CA -0.831 57.198 58.000 0.048 0.000 0.948 641 F CB 1.458 40.565 39.000 0.177 0.000 1.154 641 F HN -0.237 nan 8.300 nan 0.000 0.439 642 R N 1.461 122.025 120.500 0.106 0.000 2.092 642 R HA 0.021 4.360 4.340 -0.000 0.000 0.231 642 R C 1.089 177.397 176.300 0.013 0.000 1.119 642 R CA 0.680 56.793 56.100 0.021 0.000 0.970 642 R CB 0.176 30.478 30.300 0.003 0.000 0.864 642 R HN 0.598 nan 8.270 nan 0.000 0.440 643 R N 0.326 120.861 120.500 0.058 0.000 2.582 643 R HA 0.087 4.427 4.340 -0.000 0.000 0.271 643 R C -0.756 175.551 176.300 0.012 0.000 1.078 643 R CA 0.175 56.280 56.100 0.008 0.000 1.127 643 R CB 1.169 31.456 30.300 -0.021 0.000 1.038 643 R HN 0.007 nan 8.270 nan 0.000 0.500 644 S N 1.080 116.780 115.700 -0.001 0.000 2.794 644 S HA 0.583 5.052 4.470 -0.000 0.000 0.299 644 S C -2.037 172.651 174.600 0.146 0.000 1.179 644 S CA -0.594 57.656 58.200 0.083 0.000 0.838 644 S CB 1.072 64.306 63.200 0.057 0.000 1.206 644 S HN 0.519 nan 8.310 nan 0.000 0.523 645 Y N -0.275 120.058 120.300 0.055 0.000 2.705 645 Y HA 0.700 5.249 4.550 -0.001 0.000 0.332 645 Y C -1.750 174.235 175.900 0.142 0.000 1.221 645 Y CA -1.032 57.074 58.100 0.010 0.000 1.059 645 Y CB 1.116 39.486 38.460 -0.150 0.000 1.298 645 Y HN 0.675 nan 8.280 nan 0.000 0.459 646 I N 3.797 124.070 120.570 -0.494 0.000 2.499 646 I HA 0.354 4.524 4.170 -0.000 0.000 0.288 646 I C -1.362 174.479 176.117 -0.461 0.000 1.048 646 I CA -0.760 60.359 61.300 -0.302 0.000 1.062 646 I CB 1.747 39.586 38.000 -0.268 0.000 1.238 646 I HN 0.297 nan 8.210 nan 0.000 0.426 647 I N 5.056 125.479 120.570 -0.245 0.000 2.306 647 I HA 0.277 4.447 4.170 -0.000 0.000 0.288 647 I C 0.336 176.476 176.117 0.039 0.000 1.036 647 I CA -0.004 61.118 61.300 -0.296 0.000 1.221 647 I CB 0.915 38.486 38.000 -0.714 0.000 1.385 647 I HN 0.426 nan 8.210 nan 0.000 0.472 648 S N 5.888 121.603 115.700 0.025 0.000 2.608 648 S HA 0.456 4.925 4.470 -0.000 0.000 0.291 648 S C 1.085 175.683 174.600 -0.003 0.000 1.146 648 S CA -0.512 57.744 58.200 0.092 0.000 1.043 648 S CB 1.796 64.994 63.200 -0.003 0.000 1.037 648 S HN 0.692 nan 8.310 nan 0.000 0.520 649 R N 2.073 122.460 120.500 -0.188 0.000 2.140 649 R HA 0.226 4.566 4.340 -0.000 0.000 0.213 649 R C 0.969 177.050 176.300 -0.364 0.000 1.059 649 R CA 0.750 56.389 56.100 -0.769 0.000 1.000 649 R CB -0.261 29.461 30.300 -0.964 0.000 0.910 649 R HN 0.702 nan 8.270 nan 0.000 0.455 650 G N -1.229 107.520 108.800 -0.086 0.000 2.735 650 G HA2 0.606 4.566 3.960 -0.000 0.000 0.301 650 G HA3 0.606 4.566 3.960 -0.000 0.000 0.301 650 G C -0.940 174.067 174.900 0.178 0.000 1.279 650 G CA -0.200 44.955 45.100 0.092 0.000 1.019 650 G HN 0.377 nan 8.290 nan 0.000 0.497 651 G N -2.076 106.861 108.800 0.228 0.000 2.350 651 G HA2 0.464 4.423 3.960 -0.000 0.000 0.304 651 G HA3 0.464 4.423 3.960 -0.000 0.000 0.304 651 G C -2.161 172.669 174.900 -0.116 0.000 1.421 651 G CA -0.637 44.618 45.100 0.258 0.000 0.934 651 G HN 1.022 nan 8.290 nan 0.000 0.632 652 Y N 0.392 120.577 120.300 -0.192 0.000 2.587 652 Y HA 0.723 5.272 4.550 -0.001 0.000 0.337 652 Y C 0.668 176.373 175.900 -0.324 0.000 1.065 652 Y CA -1.880 55.969 58.100 -0.419 0.000 1.126 652 Y CB 1.147 39.456 38.460 -0.252 0.000 1.279 652 Y HN 0.560 nan 8.280 nan 0.000 0.489 653 I N 3.578 123.473 120.570 -1.125 0.000 3.015 653 I HA 0.022 4.192 4.170 -0.000 0.000 0.309 653 I C 1.265 177.167 176.117 -0.358 0.000 1.229 653 I CA 2.109 62.972 61.300 -0.728 0.000 1.430 653 I CB -0.549 36.875 38.000 -0.960 0.000 1.347 653 I HN 0.915 nan 8.210 nan 0.000 0.544 654 G N 5.310 114.005 108.800 -0.174 0.000 2.231 654 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.206 654 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.206 654 G C 0.997 175.811 174.900 -0.144 0.000 0.996 654 G CA 0.089 45.165 45.100 -0.041 0.000 0.645 654 G HN 0.578 nan 8.290 nan 0.000 0.498 655 N N 1.032 119.737 118.700 0.008 0.000 2.513 655 N HA -0.135 4.605 4.740 -0.000 0.000 0.187 655 N C 2.372 177.696 175.510 -0.311 0.000 1.056 655 N CA 1.400 54.387 53.050 -0.105 0.000 0.907 655 N CB -0.027 38.583 38.487 0.204 0.000 0.954 655 N HN 0.789 nan 8.380 nan 0.000 0.445 656 Q N 0.141 119.715 119.800 -0.377 0.000 2.291 656 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 656 Q C 0.402 176.051 176.000 -0.584 0.000 0.976 656 Q CA 1.501 57.032 55.803 -0.453 0.000 0.875 656 Q CB -0.779 27.656 28.738 -0.505 0.000 0.927 656 Q HN 0.579 nan 8.270 nan 0.000 0.450 657 H N -1.207 117.529 119.070 -0.556 0.000 2.539 657 H HA 0.160 4.716 4.556 -0.000 0.000 0.267 657 H C 0.352 175.385 175.328 -0.492 0.000 0.982 657 H CA 0.454 56.169 56.048 -0.555 0.000 1.146 657 H CB 0.230 29.608 29.762 -0.641 0.000 1.382 657 H HN 0.185 nan 8.280 nan 0.000 0.577 658 F N -1.260 118.591 119.950 -0.165 0.000 2.592 658 F HA 0.471 4.997 4.527 -0.000 0.000 0.280 658 F C 1.525 177.121 175.800 -0.340 0.000 1.083 658 F CA 0.554 58.414 58.000 -0.234 0.000 1.365 658 F CB 0.319 39.147 39.000 -0.288 0.000 1.100 658 F HN 0.182 nan 8.300 nan 0.000 0.633 659 G N -0.876 107.753 108.800 -0.285 0.000 2.512 659 G HA2 0.424 4.384 3.960 -0.000 0.000 0.181 659 G HA3 0.424 4.384 3.960 -0.000 0.000 0.181 659 G C -0.617 173.995 174.900 -0.480 0.000 1.173 659 G CA -0.117 44.518 45.100 -0.775 0.000 0.988 659 G HN 0.401 nan 8.290 nan 0.000 0.485 660 G N -1.142 107.331 108.800 -0.545 0.000 3.016 660 G HA2 0.682 4.641 3.960 -0.000 0.000 0.270 660 G HA3 0.682 4.641 3.960 -0.000 0.000 0.270 660 G C -0.579 174.183 174.900 -0.230 0.000 1.352 660 G CA -0.646 44.329 45.100 -0.209 0.000 1.060 660 G HN 0.528 nan 8.290 nan 0.000 0.538 661 M N -0.730 118.761 119.600 -0.182 0.000 2.658 661 M HA 0.475 4.954 4.480 -0.000 0.000 0.295 661 M C -1.674 174.619 176.300 -0.011 0.000 1.248 661 M CA -0.520 54.701 55.300 -0.131 0.000 0.843 661 M CB 2.224 34.692 32.600 -0.220 0.000 1.749 661 M HN 0.844 nan 8.290 nan 0.000 0.464 662 W N -0.085 121.120 121.300 -0.157 0.000 2.936 662 W HA 0.685 5.345 4.660 -0.000 0.000 0.338 662 W C -1.039 175.487 176.519 0.011 0.000 1.121 662 W CA -1.010 56.344 57.345 0.014 0.000 1.209 662 W CB 0.560 30.088 29.460 0.113 0.000 1.420 662 W HN 0.256 nan 8.180 nan 0.000 0.516 663 V N 6.259 126.183 119.914 0.017 0.000 3.299 663 V HA 0.294 4.414 4.120 -0.000 0.000 0.369 663 V C 1.389 177.367 176.094 -0.194 0.000 1.245 663 V CA 1.023 63.282 62.300 -0.068 0.000 1.459 663 V CB -1.655 30.263 31.823 0.159 0.000 1.203 663 V HN 1.322 nan 8.190 nan 0.000 0.451 664 G N 1.608 109.767 108.800 -1.068 0.000 2.550 664 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.277 664 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.277 664 G C -0.302 174.565 174.900 -0.055 0.000 1.190 664 G CA 0.201 44.620 45.100 -1.134 0.000 0.971 664 G HN 0.518 nan 8.290 nan 0.000 0.559 665 D N 2.561 123.051 120.400 0.149 0.000 2.500 665 D HA 0.402 5.042 4.640 -0.000 0.000 0.219 665 D C 0.942 177.385 176.300 0.238 0.000 1.137 665 D CA -0.154 53.996 54.000 0.250 0.000 0.946 665 D CB 0.076 41.014 40.800 0.230 0.000 1.022 665 D HN 0.617 nan 8.370 nan 0.000 0.518 666 N N -0.030 118.776 118.700 0.176 0.000 2.374 666 N HA 0.344 5.084 4.740 -0.000 0.000 0.284 666 N C -0.099 175.194 175.510 -0.362 0.000 1.280 666 N CA -0.525 52.383 53.050 -0.237 0.000 0.963 666 N CB 0.681 39.243 38.487 0.125 0.000 1.141 666 N HN 0.095 nan 8.380 nan 0.000 0.565 667 S N -3.242 111.888 115.700 -0.950 0.000 2.806 667 S HA 0.553 5.023 4.470 -0.000 0.000 0.306 667 S C -1.108 173.290 174.600 -0.337 0.000 1.167 667 S CA -0.721 57.077 58.200 -0.669 0.000 0.847 667 S CB 0.536 63.244 63.200 -0.820 0.000 1.216 667 S HN 0.556 nan 8.310 nan 0.000 0.532 668 T N 2.160 116.646 114.554 -0.113 0.000 3.315 668 T HA 0.438 4.788 4.350 -0.000 0.000 0.275 668 T C -0.414 174.227 174.700 -0.099 0.000 1.598 668 T CA -0.363 61.714 62.100 -0.038 0.000 1.368 668 T CB -0.709 68.066 68.868 -0.156 0.000 1.079 668 T HN 0.692 nan 8.240 nan 0.000 0.703 669 T N -2.615 112.017 114.554 0.130 0.000 2.896 669 T HA 0.450 4.800 4.350 -0.000 0.000 0.297 669 T C 1.326 176.080 174.700 0.091 0.000 1.108 669 T CA -0.739 61.436 62.100 0.126 0.000 1.004 669 T CB 1.747 70.775 68.868 0.266 0.000 1.159 669 T HN -0.116 nan 8.240 nan 0.000 0.499 670 S N 1.168 116.884 115.700 0.026 0.000 2.399 670 S HA -0.231 4.239 4.470 -0.000 0.000 0.235 670 S C 1.812 176.274 174.600 -0.229 0.000 1.063 670 S CA 2.270 60.403 58.200 -0.111 0.000 1.070 670 S CB -0.789 62.424 63.200 0.021 0.000 0.904 670 S HN 0.839 nan 8.310 nan 0.000 0.456 671 N N -0.885 117.761 118.700 -0.089 0.000 2.453 671 N HA -0.047 4.693 4.740 -0.000 0.000 0.183 671 N C 1.055 176.372 175.510 -0.322 0.000 1.041 671 N CA 0.787 53.743 53.050 -0.157 0.000 0.900 671 N CB -0.069 38.420 38.487 0.004 0.000 0.961 671 N HN 0.458 nan 8.380 nan 0.000 0.443 672 Y N 0.041 120.250 120.300 -0.151 0.000 2.510 672 Y HA 0.220 4.770 4.550 -0.000 0.000 0.273 672 Y C 1.723 177.554 175.900 -0.115 0.000 1.119 672 Y CA 0.071 58.126 58.100 -0.075 0.000 1.286 672 Y CB 0.268 38.749 38.460 0.036 0.000 1.061 672 Y HN 0.057 nan 8.280 nan 0.000 0.542 673 I N -0.407 120.033 120.570 -0.216 0.000 2.286 673 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 673 I C 1.968 177.979 176.117 -0.176 0.000 1.104 673 I CA 1.277 62.346 61.300 -0.385 0.000 1.397 673 I CB -0.256 37.422 38.000 -0.536 0.000 1.072 673 I HN 0.253 nan 8.210 nan 0.000 0.417 674 Q N 0.486 120.170 119.800 -0.194 0.000 2.002 674 Q HA -0.219 4.120 4.340 -0.000 0.000 0.204 674 Q C 2.326 178.308 176.000 -0.030 0.000 0.988 674 Q CA 1.807 57.543 55.803 -0.112 0.000 0.843 674 Q CB -0.201 28.459 28.738 -0.129 0.000 0.908 674 Q HN 0.443 nan 8.270 nan 0.000 0.420 675 M N -0.173 119.374 119.600 -0.089 0.000 2.195 675 M HA -0.230 4.249 4.480 -0.000 0.000 0.260 675 M C 2.321 178.678 176.300 0.094 0.000 1.066 675 M CA 1.287 56.574 55.300 -0.021 0.000 1.089 675 M CB -0.330 32.226 32.600 -0.075 0.000 1.377 675 M HN 0.370 nan 8.290 nan 0.000 0.411 676 M N 0.754 120.433 119.600 0.132 0.000 2.067 676 M HA -0.219 4.261 4.480 -0.000 0.000 0.260 676 M C 2.001 178.352 176.300 0.085 0.000 1.069 676 M CA 1.959 57.362 55.300 0.171 0.000 1.117 676 M CB -0.119 32.608 32.600 0.210 0.000 1.334 676 M HN 0.172 nan 8.290 nan 0.000 0.407 677 I N 0.483 121.077 120.570 0.040 0.000 2.226 677 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 677 I C 2.631 178.736 176.117 -0.021 0.000 1.100 677 I CA 1.337 62.623 61.300 -0.023 0.000 1.374 677 I CB -0.611 37.417 38.000 0.047 0.000 1.057 677 I HN 0.402 nan 8.210 nan 0.000 0.413 678 A N 0.850 123.694 122.820 0.039 0.000 1.855 678 A HA -0.236 4.084 4.320 -0.000 0.000 0.215 678 A C 2.061 179.673 177.584 0.046 0.000 1.191 678 A CA 2.197 54.270 52.037 0.061 0.000 0.613 678 A CB -1.145 17.909 19.000 0.091 0.000 0.829 678 A HN 0.482 nan 8.150 nan 0.000 0.442 679 N N 0.076 118.800 118.700 0.041 0.000 2.091 679 N HA -0.225 4.515 4.740 -0.000 0.000 0.193 679 N C 1.827 177.350 175.510 0.022 0.000 1.021 679 N CA 1.441 54.510 53.050 0.031 0.000 0.862 679 N CB -0.223 38.283 38.487 0.031 0.000 1.018 679 N HN 0.541 nan 8.380 nan 0.000 0.429 680 N N 0.964 119.668 118.700 0.006 0.000 2.216 680 N HA -0.020 4.720 4.740 -0.000 0.000 0.183 680 N C 1.666 177.150 175.510 -0.044 0.000 1.017 680 N CA 0.709 53.746 53.050 -0.020 0.000 0.861 680 N CB 0.126 38.583 38.487 -0.052 0.000 0.986 680 N HN 0.233 nan 8.380 nan 0.000 0.428 681 I N 1.329 121.867 120.570 -0.054 0.000 2.163 681 I HA -0.238 3.931 4.170 -0.000 0.000 0.240 681 I C 1.726 177.875 176.117 0.053 0.000 1.081 681 I CA 0.847 62.140 61.300 -0.012 0.000 1.353 681 I CB -0.340 37.674 38.000 0.024 0.000 1.054 681 I HN 0.070 nan 8.210 nan 0.000 0.407 682 N N 0.285 119.031 118.700 0.077 0.000 2.289 682 N HA -0.135 4.605 4.740 -0.000 0.000 0.184 682 N C 1.736 177.315 175.510 0.115 0.000 1.016 682 N CA 1.259 54.379 53.050 0.118 0.000 0.872 682 N CB -0.103 38.453 38.487 0.114 0.000 0.973 682 N HN 0.334 nan 8.380 nan 0.000 0.433 683 M N 0.117 119.748 119.600 0.053 0.000 2.357 683 M HA 0.042 4.522 4.480 -0.000 0.000 0.266 683 M C 1.533 177.829 176.300 -0.007 0.000 1.095 683 M CA 0.434 55.737 55.300 0.005 0.000 1.156 683 M CB -0.589 31.962 32.600 -0.081 0.000 1.365 683 M HN 0.153 nan 8.290 nan 0.000 0.447 684 N N 1.355 120.055 118.700 -0.000 0.000 2.060 684 N HA -0.197 4.542 4.740 -0.000 0.000 0.195 684 N C 1.719 177.252 175.510 0.039 0.000 1.028 684 N CA 2.007 55.055 53.050 -0.002 0.000 0.861 684 N CB -0.318 38.167 38.487 -0.004 0.000 1.029 684 N HN 0.489 nan 8.380 nan 0.000 0.428 685 M N -0.746 118.919 119.600 0.108 0.000 2.557 685 M HA 0.102 4.582 4.480 -0.000 0.000 0.259 685 M C 0.912 177.419 176.300 0.345 0.000 1.086 685 M CA 1.257 56.687 55.300 0.216 0.000 1.096 685 M CB 0.190 32.929 32.600 0.231 0.000 1.424 685 M HN -0.201 nan 8.290 nan 0.000 0.488 686 S N 0.036 115.864 115.700 0.213 0.000 2.614 686 S HA 0.188 4.658 4.470 -0.000 0.000 0.230 686 S C 0.441 174.960 174.600 -0.135 0.000 0.952 686 S CA -0.105 58.152 58.200 0.095 0.000 0.949 686 S CB -0.681 62.645 63.200 0.210 0.000 0.786 686 S HN 0.728 nan 8.310 nan 0.000 0.478 687 C N 1.677 120.894 119.300 -0.137 0.000 4.454 687 C HA -0.111 4.348 4.460 -0.000 0.000 0.298 687 C C -0.102 174.736 174.990 -0.254 0.000 1.384 687 C CA -0.148 58.714 59.018 -0.260 0.000 2.002 687 C CB -2.236 25.208 27.740 -0.493 0.000 1.249 687 C HN 0.568 nan 8.230 nan 0.000 0.783 688 L N 2.063 123.171 121.223 -0.192 0.000 2.492 688 L HA 0.387 4.727 4.340 -0.000 0.000 0.258 688 L C -1.477 175.299 176.870 -0.156 0.000 1.028 688 L CA -1.179 53.525 54.840 -0.226 0.000 0.900 688 L CB 1.528 43.363 42.059 -0.373 0.000 1.191 688 L HN -0.018 nan 8.230 nan 0.000 0.459 689 P HA 0.023 nan 4.420 nan 0.000 0.224 689 P C 0.620 177.928 177.300 0.013 0.000 1.159 689 P CA 0.279 63.348 63.100 -0.051 0.000 0.824 689 P CB 1.242 32.906 31.700 -0.060 0.000 0.833 690 L N 1.380 122.617 121.223 0.024 0.000 2.397 690 L HA 0.380 4.720 4.340 -0.000 0.000 0.263 690 L C -0.550 176.376 176.870 0.094 0.000 1.136 690 L CA -0.526 54.380 54.840 0.109 0.000 1.019 690 L CB 0.418 42.549 42.059 0.120 0.000 1.352 690 L HN -0.216 nan 8.230 nan 0.000 0.420 691 V N 3.132 123.131 119.914 0.142 0.000 3.007 691 V HA 1.010 5.129 4.120 -0.000 0.000 0.311 691 V C -0.340 175.945 176.094 0.318 0.000 1.120 691 V CA 0.088 62.475 62.300 0.147 0.000 0.980 691 V CB 2.169 34.008 31.823 0.025 0.000 1.033 691 V HN 0.604 nan 8.190 nan 0.000 0.429 692 G N 2.761 111.831 108.800 0.451 0.000 2.559 692 G HA2 0.615 4.575 3.960 -0.000 0.000 0.291 692 G HA3 0.615 4.575 3.960 -0.000 0.000 0.291 692 G C -1.357 173.874 174.900 0.551 0.000 1.424 692 G CA -0.187 45.203 45.100 0.483 0.000 0.786 692 G HN 1.051 nan 8.290 nan 0.000 0.485 693 S N 0.247 116.237 115.700 0.483 0.000 2.537 693 S HA 0.530 5.000 4.470 -0.000 0.000 0.301 693 S C -0.921 173.964 174.600 0.475 0.000 1.092 693 S CA -0.835 57.684 58.200 0.532 0.000 1.048 693 S CB 1.651 65.152 63.200 0.503 0.000 1.053 693 S HN 0.544 nan 8.310 nan 0.000 0.501 694 D N 2.071 122.760 120.400 0.481 0.000 2.662 694 D HA -0.005 4.635 4.640 -0.000 0.000 0.233 694 D C 0.019 176.380 176.300 0.101 0.000 1.129 694 D CA 0.558 54.731 54.000 0.288 0.000 0.851 694 D CB 0.095 41.114 40.800 0.366 0.000 1.152 694 D HN 0.261 nan 8.370 nan 0.000 0.507 695 I N 1.643 122.212 120.570 -0.001 0.000 2.416 695 I HA 0.206 4.376 4.170 -0.000 0.000 0.288 695 I C 1.783 177.596 176.117 -0.507 0.000 1.051 695 I CA 0.141 61.350 61.300 -0.151 0.000 1.375 695 I CB 0.231 38.254 38.000 0.039 0.000 1.407 695 I HN 0.694 nan 8.210 nan 0.000 0.516 696 G N 4.492 112.402 108.800 -1.483 0.000 2.176 696 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.253 696 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.253 696 G C 0.645 175.081 174.900 -0.774 0.000 0.979 696 G CA 0.312 44.744 45.100 -1.114 0.000 0.641 696 G HN 1.664 nan 8.290 nan 0.000 0.530 697 G N -1.796 106.618 108.800 -0.643 0.000 2.879 697 G HA2 0.166 4.126 3.960 -0.000 0.000 0.686 697 G HA3 0.166 4.126 3.960 -0.000 0.000 0.686 697 G C 0.161 175.078 174.900 0.028 0.000 1.115 697 G CA 0.183 45.193 45.100 -0.149 0.000 0.770 697 G HN 1.527 nan 8.290 nan 0.000 0.601 698 F N 2.226 122.178 119.950 0.003 0.000 2.149 698 F HA 0.223 4.750 4.527 -0.001 0.000 0.294 698 F C 2.134 177.982 175.800 0.081 0.000 1.095 698 F CA 2.055 60.092 58.000 0.062 0.000 1.276 698 F CB -0.138 38.953 39.000 0.151 0.000 1.023 698 F HN 0.945 nan 8.300 nan 0.000 0.480 699 T N -0.366 114.194 114.554 0.010 0.000 2.913 699 T HA 0.359 4.709 4.350 -0.000 0.000 0.287 699 T C 0.384 175.080 174.700 -0.007 0.000 1.008 699 T CA -0.647 61.424 62.100 -0.049 0.000 1.067 699 T CB 1.041 69.959 68.868 0.083 0.000 0.996 699 T HN 0.162 nan 8.240 nan 0.000 0.513 700 S N 1.312 117.019 115.700 0.011 0.000 2.559 700 S HA 0.132 4.601 4.470 -0.000 0.000 0.282 700 S C 0.382 175.039 174.600 0.095 0.000 1.336 700 S CA -0.067 58.158 58.200 0.043 0.000 1.037 700 S CB -0.188 63.017 63.200 0.007 0.000 0.853 700 S HN 0.960 nan 8.310 nan 0.000 0.523 701 Y N -0.441 119.854 120.300 -0.008 0.000 2.512 701 Y HA 0.440 4.989 4.550 -0.000 0.000 0.268 701 Y C 0.238 176.158 175.900 0.034 0.000 1.102 701 Y CA -0.529 57.580 58.100 0.015 0.000 1.261 701 Y CB 0.046 38.521 38.460 0.024 0.000 1.250 701 Y HN 0.491 nan 8.280 nan 0.000 0.506 702 D N 1.797 121.809 120.400 -0.647 0.000 2.393 702 D HA 0.101 4.740 4.640 -0.000 0.000 0.232 702 D C 0.318 176.497 176.300 -0.201 0.000 1.192 702 D CA -0.002 53.701 54.000 -0.494 0.000 0.882 702 D CB 0.413 40.789 40.800 -0.706 0.000 1.038 702 D HN 0.187 nan 8.370 nan 0.000 0.499 703 N N 2.946 121.598 118.700 -0.080 0.000 2.137 703 N HA -0.169 4.570 4.740 -0.000 0.000 0.190 703 N C 0.968 176.452 175.510 -0.044 0.000 1.017 703 N CA 0.941 53.970 53.050 -0.034 0.000 0.859 703 N CB 0.124 38.616 38.487 0.007 0.000 1.002 703 N HN 0.588 nan 8.380 nan 0.000 0.428 704 E N -0.168 119.998 120.200 -0.057 0.000 2.435 704 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 704 E C -0.133 176.423 176.600 -0.073 0.000 1.029 704 E CA 0.287 56.657 56.400 -0.051 0.000 0.865 704 E CB -0.048 29.628 29.700 -0.040 0.000 0.833 704 E HN 0.210 nan 8.360 nan 0.000 0.510 705 N N 0.281 118.917 118.700 -0.107 0.000 3.193 705 N HA -0.055 4.684 4.740 -0.000 0.000 0.234 705 N C 0.366 175.776 175.510 -0.167 0.000 1.267 705 N CA 0.059 53.032 53.050 -0.128 0.000 0.875 705 N CB 0.636 39.042 38.487 -0.135 0.000 1.592 705 N HN -0.084 nan 8.380 nan 0.000 0.648 706 Q N 1.646 121.375 119.800 -0.120 0.000 2.297 706 Q HA 0.048 4.388 4.340 -0.000 0.000 0.204 706 Q C 0.557 176.486 176.000 -0.119 0.000 0.962 706 Q CA 0.854 56.595 55.803 -0.104 0.000 0.879 706 Q CB 0.080 28.817 28.738 -0.001 0.000 0.947 706 Q HN 0.414 nan 8.270 nan 0.000 0.462 707 R N 1.001 121.409 120.500 -0.153 0.000 2.339 707 R HA 0.075 4.415 4.340 -0.000 0.000 0.199 707 R C 0.012 176.198 176.300 -0.191 0.000 1.018 707 R CA 0.487 56.483 56.100 -0.173 0.000 1.036 707 R CB -0.048 30.062 30.300 -0.317 0.000 0.899 707 R HN 0.183 nan 8.270 nan 0.000 0.473 708 T N 3.205 117.625 114.554 -0.223 0.000 2.888 708 T HA 0.113 4.463 4.350 -0.000 0.000 0.301 708 T C -2.239 172.363 174.700 -0.163 0.000 1.001 708 T CA -0.920 61.050 62.100 -0.216 0.000 1.147 708 T CB 1.118 69.834 68.868 -0.254 0.000 0.931 708 T HN -0.009 nan 8.240 nan 0.000 0.541 709 P HA 0.276 nan 4.420 nan 0.000 0.280 709 P C -0.121 177.258 177.300 0.131 0.000 1.272 709 P CA -0.987 61.995 63.100 -0.196 0.000 0.819 709 P CB 0.451 31.673 31.700 -0.796 0.000 1.122 710 C N 2.148 121.518 119.300 0.117 0.000 2.437 710 C HA 0.105 4.565 4.460 -0.000 0.000 0.399 710 C C 1.191 176.268 174.990 0.144 0.000 1.478 710 C CA 0.518 59.573 59.018 0.063 0.000 1.538 710 C CB -1.832 25.888 27.740 -0.034 0.000 2.506 710 C HN 0.772 nan 8.230 nan 0.000 0.603 711 T N 3.746 118.346 114.554 0.076 0.000 2.855 711 T HA 0.263 4.612 4.350 -0.000 0.000 0.322 711 T C 1.420 176.162 174.700 0.069 0.000 1.088 711 T CA 0.135 62.309 62.100 0.124 0.000 1.104 711 T CB 0.907 69.822 68.868 0.078 0.000 0.996 711 T HN 1.023 nan 8.240 nan 0.000 0.549 712 G N 0.138 109.019 108.800 0.136 0.000 2.422 712 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.218 712 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.218 712 G C 1.241 176.089 174.900 -0.088 0.000 1.146 712 G CA 0.842 45.948 45.100 0.010 0.000 0.769 712 G HN 0.947 nan 8.290 nan 0.000 0.547 713 D N 0.100 120.491 120.400 -0.015 0.000 2.084 713 D HA -0.086 4.554 4.640 -0.000 0.000 0.196 713 D C 2.513 178.792 176.300 -0.036 0.000 0.985 713 D CA 0.795 54.784 54.000 -0.018 0.000 0.826 713 D CB -0.028 40.783 40.800 0.018 0.000 0.978 713 D HN 0.170 nan 8.370 nan 0.000 0.456 714 L N 0.852 122.060 121.223 -0.025 0.000 2.043 714 L HA -0.199 4.140 4.340 -0.000 0.000 0.212 714 L C 2.543 179.433 176.870 0.033 0.000 1.075 714 L CA 1.668 56.506 54.840 -0.004 0.000 0.752 714 L CB -0.740 41.311 42.059 -0.014 0.000 0.891 714 L HN 0.106 nan 8.230 nan 0.000 0.432 715 M N -1.615 117.942 119.600 -0.073 0.000 2.108 715 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 715 M C 2.052 178.309 176.300 -0.070 0.000 1.066 715 M CA 1.892 57.118 55.300 -0.123 0.000 1.107 715 M CB -0.595 31.698 32.600 -0.511 0.000 1.356 715 M HN 0.085 nan 8.290 nan 0.000 0.406 716 V N 0.713 120.551 119.914 -0.126 0.000 2.220 716 V HA -0.339 3.781 4.120 -0.000 0.000 0.246 716 V C 2.632 178.662 176.094 -0.108 0.000 1.049 716 V CA 2.087 64.311 62.300 -0.126 0.000 1.003 716 V CB -0.795 30.950 31.823 -0.131 0.000 0.634 716 V HN 0.435 nan 8.190 nan 0.000 0.444 717 R N -1.083 119.371 120.500 -0.077 0.000 2.103 717 R HA -0.204 4.136 4.340 -0.000 0.000 0.242 717 R C 2.050 178.338 176.300 -0.019 0.000 1.142 717 R CA 1.761 57.819 56.100 -0.071 0.000 0.960 717 R CB -1.326 28.936 30.300 -0.063 0.000 0.858 717 R HN 0.575 nan 8.270 nan 0.000 0.439 718 Y N 0.766 121.051 120.300 -0.025 0.000 2.081 718 Y HA -0.240 4.310 4.550 -0.000 0.000 0.280 718 Y C 2.581 178.547 175.900 0.109 0.000 1.163 718 Y CA 1.535 59.659 58.100 0.041 0.000 1.135 718 Y CB -0.568 37.907 38.460 0.025 0.000 0.970 718 Y HN -0.216 nan 8.280 nan 0.000 0.498 719 V N -0.058 120.022 119.914 0.277 0.000 2.295 719 V HA -0.350 3.770 4.120 -0.000 0.000 0.246 719 V C 2.146 178.345 176.094 0.174 0.000 1.049 719 V CA 2.219 64.698 62.300 0.298 0.000 1.024 719 V CB -0.690 31.239 31.823 0.175 0.000 0.648 719 V HN 0.459 nan 8.190 nan 0.000 0.447 720 Q N -0.101 119.665 119.800 -0.057 0.000 2.030 720 Q HA -0.203 4.136 4.340 -0.000 0.000 0.204 720 Q C 2.436 178.478 176.000 0.070 0.000 0.986 720 Q CA 1.883 57.577 55.803 -0.181 0.000 0.843 720 Q CB -0.500 27.966 28.738 -0.453 0.000 0.904 720 Q HN 0.656 nan 8.270 nan 0.000 0.420 721 A N 0.889 123.761 122.820 0.088 0.000 1.940 721 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 721 A C 2.202 179.937 177.584 0.252 0.000 1.176 721 A CA 1.726 53.868 52.037 0.175 0.000 0.631 721 A CB -0.945 18.115 19.000 0.101 0.000 0.814 721 A HN 0.492 nan 8.150 nan 0.000 0.446 722 G N -1.058 107.899 108.800 0.263 0.000 2.880 722 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.209 722 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.209 722 G C 1.450 176.379 174.900 0.048 0.000 1.157 722 G CA 1.002 46.289 45.100 0.311 0.000 0.779 722 G HN 0.892 nan 8.290 nan 0.000 0.539 723 C N -0.758 118.510 119.300 -0.053 0.000 2.456 723 C HA 0.326 4.785 4.460 -0.000 0.000 0.279 723 C C 2.088 176.989 174.990 -0.148 0.000 1.427 723 C CA 0.032 58.820 59.018 -0.383 0.000 1.778 723 C CB -0.951 26.810 27.740 0.036 0.000 1.842 723 C HN 0.245 nan 8.230 nan 0.000 0.531 724 L N 0.176 121.468 121.223 0.115 0.000 2.766 724 L HA 0.380 4.720 4.340 -0.000 0.000 0.242 724 L C 0.397 177.387 176.870 0.201 0.000 1.136 724 L CA -0.164 54.798 54.840 0.204 0.000 0.933 724 L CB -0.127 42.145 42.059 0.354 0.000 1.241 724 L HN 0.247 nan 8.230 nan 0.000 0.522 725 L N 0.960 122.284 121.223 0.169 0.000 2.380 725 L HA 0.155 4.495 4.340 -0.000 0.000 0.273 725 L C -1.051 175.970 176.870 0.252 0.000 1.138 725 L CA -1.627 53.314 54.840 0.169 0.000 0.832 725 L CB 0.254 42.403 42.059 0.149 0.000 1.124 725 L HN -0.190 nan 8.230 nan 0.000 0.454 726 P HA -0.243 nan 4.420 nan 0.000 0.221 726 P C -0.272 177.320 177.300 0.488 0.000 1.160 726 P CA 1.518 64.870 63.100 0.420 0.000 0.933 726 P CB 0.065 31.962 31.700 0.329 0.000 0.793 727 W N -0.138 121.303 121.300 0.235 0.000 2.417 727 W HA 0.455 5.114 4.660 -0.001 0.000 0.315 727 W C -1.779 174.964 176.519 0.374 0.000 1.045 727 W CA -0.894 56.584 57.345 0.221 0.000 1.221 727 W CB 0.921 30.465 29.460 0.139 0.000 1.309 727 W HN -0.232 nan 8.180 nan 0.000 0.453 728 F N 7.992 127.646 119.950 -0.494 0.000 2.532 728 F HA 0.447 4.974 4.527 -0.000 0.000 0.365 728 F C -0.931 174.607 175.800 -0.436 0.000 1.112 728 F CA -1.045 56.806 58.000 -0.248 0.000 1.082 728 F CB 0.507 39.584 39.000 0.128 0.000 1.319 728 F HN 0.460 nan 8.300 nan 0.000 0.457 729 R N 4.429 124.495 120.500 -0.723 0.000 2.514 729 R HA 0.277 4.617 4.340 -0.000 0.000 0.296 729 R C -1.090 175.019 176.300 -0.319 0.000 1.012 729 R CA -0.635 55.067 56.100 -0.663 0.000 0.897 729 R CB 1.023 30.887 30.300 -0.727 0.000 1.184 729 R HN 0.537 nan 8.270 nan 0.000 0.440 730 N N 3.947 122.506 118.700 -0.235 0.000 2.405 730 N HA 0.001 4.741 4.740 -0.000 0.000 0.260 730 N C -1.352 174.216 175.510 0.098 0.000 1.152 730 N CA 0.518 53.569 53.050 0.001 0.000 0.948 730 N CB 0.385 38.980 38.487 0.181 0.000 1.111 730 N HN 0.648 nan 8.380 nan 0.000 0.485 731 H N 3.295 122.403 119.070 0.063 0.000 2.865 731 H HA 0.412 4.968 4.556 -0.000 0.000 0.372 731 H C -1.380 174.208 175.328 0.434 0.000 1.173 731 H CA -0.610 55.553 56.048 0.192 0.000 1.147 731 H CB 1.909 31.660 29.762 -0.018 0.000 1.805 731 H HN 0.605 nan 8.280 nan 0.000 0.553 732 Y N 0.356 120.396 120.300 -0.433 0.000 2.687 732 Y HA 0.195 4.745 4.550 -0.000 0.000 0.338 732 Y C -2.102 173.461 175.900 -0.561 0.000 1.189 732 Y CA -1.213 56.653 58.100 -0.390 0.000 1.097 732 Y CB 0.785 39.122 38.460 -0.204 0.000 1.342 732 Y HN 0.489 nan 8.280 nan 0.000 0.461 733 D N 2.504 122.307 120.400 -0.996 0.000 2.316 733 D HA 0.220 4.859 4.640 -0.000 0.000 0.245 733 D C -0.705 175.349 176.300 -0.410 0.000 1.171 733 D CA -0.178 53.374 54.000 -0.747 0.000 0.856 733 D CB 0.770 41.074 40.800 -0.828 0.000 1.090 733 D HN 0.715 nan 8.370 nan 0.000 0.476 734 R N 4.138 124.367 120.500 -0.451 0.000 2.346 734 R HA 0.238 4.577 4.340 -0.000 0.000 0.311 734 R C -0.870 175.353 176.300 -0.128 0.000 0.983 734 R CA -0.889 55.086 56.100 -0.208 0.000 0.880 734 R CB 0.606 30.752 30.300 -0.257 0.000 1.100 734 R HN 0.528 nan 8.270 nan 0.000 0.453 735 W N 7.726 128.942 121.300 -0.140 0.000 2.368 735 W HA 0.240 4.900 4.660 -0.001 0.000 0.316 735 W C -0.371 176.064 176.519 -0.140 0.000 1.375 735 W CA -0.094 57.158 57.345 -0.154 0.000 1.261 735 W CB 0.299 29.705 29.460 -0.090 0.000 1.298 735 W HN 0.527 nan 8.180 nan 0.000 0.539 736 I N 2.004 122.241 120.570 -0.556 0.000 2.865 736 I HA 0.354 4.524 4.170 -0.000 0.000 0.302 736 I C 0.921 176.461 176.117 -0.962 0.000 1.140 736 I CA -0.983 60.030 61.300 -0.478 0.000 1.021 736 I CB 2.210 40.038 38.000 -0.287 0.000 1.233 736 I HN 0.506 nan 8.210 nan 0.000 0.427 737 E N 1.840 121.703 120.200 -0.562 0.000 2.147 737 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 737 E C 1.543 177.880 176.600 -0.438 0.000 1.005 737 E CA 2.274 58.395 56.400 -0.465 0.000 0.810 737 E CB 0.168 29.798 29.700 -0.118 0.000 0.736 737 E HN 0.824 nan 8.360 nan 0.000 0.460 738 S N -0.839 114.639 115.700 -0.370 0.000 2.575 738 S HA 0.097 4.567 4.470 -0.000 0.000 0.215 738 S C 0.690 175.071 174.600 -0.365 0.000 0.966 738 S CA -0.248 57.780 58.200 -0.287 0.000 0.911 738 S CB 0.386 63.468 63.200 -0.197 0.000 0.780 738 S HN 0.075 nan 8.310 nan 0.000 0.514 739 K N 2.192 122.254 120.400 -0.564 0.000 3.088 739 K HA 0.091 4.411 4.320 -0.000 0.000 0.193 739 K C -1.473 174.564 176.600 -0.939 0.000 1.176 739 K CA -0.160 55.724 56.287 -0.672 0.000 0.907 739 K CB 0.233 32.270 32.500 -0.771 0.000 1.139 739 K HN 0.210 nan 8.250 nan 0.000 0.597 740 D N 2.438 122.360 120.400 -0.796 0.000 2.848 740 D HA -0.013 4.627 4.640 -0.000 0.000 0.232 740 D C -0.380 175.724 176.300 -0.327 0.000 1.107 740 D CA 0.236 53.658 54.000 -0.963 0.000 1.020 740 D CB -0.501 40.085 40.800 -0.356 0.000 1.148 740 D HN 0.538 nan 8.370 nan 0.000 0.453 741 H N -2.756 116.119 119.070 -0.325 0.000 2.996 741 H HA 0.748 5.303 4.556 -0.000 0.000 0.368 741 H C 0.292 175.629 175.328 0.015 0.000 1.185 741 H CA -0.768 55.287 56.048 0.012 0.000 1.160 741 H CB 1.620 31.392 29.762 0.017 0.000 1.820 741 H HN 0.291 nan 8.280 nan 0.000 0.547 742 G N 0.800 109.747 108.800 0.244 0.000 2.373 742 G HA2 0.072 4.031 3.960 -0.000 0.000 0.634 742 G HA3 0.072 4.031 3.960 -0.000 0.000 0.634 742 G C -1.533 173.464 174.900 0.161 0.000 1.267 742 G CA -0.905 44.264 45.100 0.115 0.000 1.008 742 G HN 0.721 nan 8.290 nan 0.000 0.497 743 K N -0.421 120.053 120.400 0.124 0.000 2.139 743 K HA 0.533 4.852 4.320 -0.000 0.000 0.243 743 K C 0.465 177.136 176.600 0.119 0.000 0.983 743 K CA -0.761 55.568 56.287 0.069 0.000 0.890 743 K CB 1.340 33.849 32.500 0.016 0.000 1.090 743 K HN 0.347 nan 8.250 nan 0.000 0.445 744 D N 0.013 120.398 120.400 -0.024 0.000 2.097 744 D HA -0.084 4.555 4.640 -0.000 0.000 0.195 744 D C 0.360 176.773 176.300 0.189 0.000 0.989 744 D CA 1.820 55.849 54.000 0.049 0.000 0.827 744 D CB 0.054 40.841 40.800 -0.021 0.000 0.966 744 D HN 0.489 nan 8.370 nan 0.000 0.456 745 Y N -3.115 117.192 120.300 0.010 0.000 2.900 745 Y HA 0.549 5.098 4.550 -0.000 0.000 0.318 745 Y C 0.298 175.872 175.900 -0.544 0.000 1.457 745 Y CA -0.888 57.143 58.100 -0.114 0.000 1.082 745 Y CB 1.205 39.551 38.460 -0.191 0.000 1.419 745 Y HN -0.242 nan 8.280 nan 0.000 0.459 746 Q N -0.873 118.648 119.800 -0.464 0.000 1.580 746 Q HA 0.204 4.544 4.340 -0.000 0.000 0.161 746 Q C -1.218 174.687 176.000 -0.157 0.000 0.694 746 Q CA -0.044 55.437 55.803 -0.537 0.000 0.719 746 Q CB 0.376 28.320 28.738 -1.323 0.000 1.184 746 Q HN 0.752 nan 8.270 nan 0.000 0.367 747 E N 0.941 120.994 120.200 -0.244 0.000 2.415 747 E HA -0.003 4.346 4.350 -0.000 0.000 0.262 747 E C 0.741 177.140 176.600 -0.335 0.000 1.038 747 E CA 0.251 56.460 56.400 -0.318 0.000 0.921 747 E CB 0.563 29.787 29.700 -0.793 0.000 0.950 747 E HN 0.292 nan 8.360 nan 0.000 0.438 748 L N 1.779 122.886 121.223 -0.193 0.000 2.191 748 L HA -0.180 4.159 4.340 -0.000 0.000 0.212 748 L C 1.817 178.601 176.870 -0.145 0.000 1.103 748 L CA 1.073 55.848 54.840 -0.108 0.000 0.769 748 L CB -0.596 41.334 42.059 -0.214 0.000 0.908 748 L HN 0.733 nan 8.230 nan 0.000 0.438 749 Y N -3.007 117.031 120.300 -0.438 0.000 2.529 749 Y HA 0.118 4.668 4.550 -0.000 0.000 0.290 749 Y C 2.033 177.822 175.900 -0.185 0.000 1.177 749 Y CA 0.025 57.994 58.100 -0.219 0.000 1.305 749 Y CB -0.349 37.879 38.460 -0.388 0.000 1.047 749 Y HN 0.032 nan 8.280 nan 0.000 0.522 750 M N 0.016 119.252 119.600 -0.608 0.000 2.505 750 M HA 0.118 4.597 4.480 -0.000 0.000 0.230 750 M C -1.033 174.881 176.300 -0.642 0.000 1.153 750 M CA 0.307 55.179 55.300 -0.715 0.000 0.997 750 M CB -0.745 31.145 32.600 -1.184 0.000 1.606 750 M HN 0.362 nan 8.290 nan 0.000 0.481 751 Y N -0.012 120.229 120.300 -0.098 0.000 2.915 751 Y HA 0.297 4.847 4.550 -0.000 0.000 0.350 751 Y C -1.665 174.254 175.900 0.032 0.000 1.061 751 Y CA -2.000 56.100 58.100 0.000 0.000 1.179 751 Y CB 0.090 38.568 38.460 0.030 0.000 1.180 751 Y HN 0.110 nan 8.280 nan 0.000 0.605 752 P HA -0.156 nan 4.420 nan 0.000 0.218 752 P C 0.739 178.094 177.300 0.091 0.000 1.148 752 P CA 1.614 64.759 63.100 0.075 0.000 0.822 752 P CB 0.371 32.085 31.700 0.023 0.000 0.784 753 N N -1.334 117.429 118.700 0.106 0.000 2.446 753 N HA -0.056 4.684 4.740 -0.000 0.000 0.179 753 N C 0.866 176.433 175.510 0.096 0.000 1.054 753 N CA 0.472 53.575 53.050 0.089 0.000 0.905 753 N CB 0.062 38.599 38.487 0.083 0.000 0.973 753 N HN 0.124 nan 8.380 nan 0.000 0.448 754 E N -0.786 119.495 120.200 0.135 0.000 2.601 754 E HA 0.184 4.533 4.350 -0.000 0.000 0.219 754 E C 1.057 177.745 176.600 0.147 0.000 0.964 754 E CA -0.187 56.281 56.400 0.114 0.000 1.050 754 E CB 0.270 30.019 29.700 0.081 0.000 1.068 754 E HN 0.202 nan 8.360 nan 0.000 0.496 755 M N 0.754 120.463 119.600 0.183 0.000 2.106 755 M HA -0.226 4.254 4.480 -0.000 0.000 0.259 755 M C 0.615 176.985 176.300 0.116 0.000 1.068 755 M CA 1.746 57.187 55.300 0.236 0.000 1.100 755 M CB 0.076 32.803 32.600 0.211 0.000 1.351 755 M HN 0.059 nan 8.290 nan 0.000 0.404 756 D N -0.532 119.902 120.400 0.057 0.000 2.117 756 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 756 D C 1.840 178.169 176.300 0.049 0.000 0.982 756 D CA 1.721 55.727 54.000 0.010 0.000 0.828 756 D CB -0.436 40.365 40.800 0.003 0.000 0.967 756 D HN 0.345 nan 8.370 nan 0.000 0.464 757 T N 0.754 115.361 114.554 0.090 0.000 2.777 757 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 757 T C 2.181 177.008 174.700 0.212 0.000 1.040 757 T CA 0.515 62.705 62.100 0.150 0.000 1.141 757 T CB -0.264 68.655 68.868 0.084 0.000 0.868 757 T HN 0.089 nan 8.240 nan 0.000 0.444 758 L N 0.519 121.849 121.223 0.179 0.000 1.989 758 L HA -0.106 4.233 4.340 -0.000 0.000 0.211 758 L C 2.880 179.957 176.870 0.345 0.000 1.071 758 L CA 1.546 56.539 54.840 0.255 0.000 0.749 758 L CB -0.497 41.749 42.059 0.312 0.000 0.890 758 L HN 0.141 nan 8.230 nan 0.000 0.431 759 R N 1.044 121.668 120.500 0.207 0.000 2.081 759 R HA -0.206 4.133 4.340 -0.000 0.000 0.235 759 R C 2.371 178.675 176.300 0.006 0.000 1.131 759 R CA 1.847 57.874 56.100 -0.122 0.000 0.960 759 R CB -0.122 29.747 30.300 -0.717 0.000 0.856 759 R HN 0.412 nan 8.270 nan 0.000 0.436 760 K N -0.942 119.490 120.400 0.053 0.000 2.217 760 K HA -0.110 4.209 4.320 -0.000 0.000 0.202 760 K C 1.569 178.184 176.600 0.025 0.000 1.051 760 K CA 1.233 57.529 56.287 0.016 0.000 0.952 760 K CB -0.179 32.299 32.500 -0.037 0.000 0.736 760 K HN 0.170 nan 8.250 nan 0.000 0.453 761 F N 1.541 121.515 119.950 0.040 0.000 2.293 761 F HA -0.072 4.455 4.527 -0.001 0.000 0.297 761 F C 2.218 178.113 175.800 0.158 0.000 1.089 761 F CA 0.490 58.540 58.000 0.083 0.000 1.377 761 F CB 0.097 39.129 39.000 0.052 0.000 1.051 761 F HN -0.223 nan 8.300 nan 0.000 0.511 762 V N -0.083 120.007 119.914 0.293 0.000 2.343 762 V HA -0.279 3.840 4.120 -0.000 0.000 0.247 762 V C 2.049 178.246 176.094 0.171 0.000 1.051 762 V CA 1.942 64.384 62.300 0.236 0.000 1.036 762 V CB -0.709 31.206 31.823 0.155 0.000 0.654 762 V HN 0.296 nan 8.190 nan 0.000 0.451 763 E N -0.329 119.928 120.200 0.095 0.000 2.049 763 E HA -0.270 4.079 4.350 -0.000 0.000 0.198 763 E C 2.018 178.695 176.600 0.128 0.000 1.007 763 E CA 1.884 58.333 56.400 0.082 0.000 0.809 763 E CB -0.319 29.404 29.700 0.038 0.000 0.749 763 E HN 0.597 nan 8.360 nan 0.000 0.450 764 F N 1.841 121.732 119.950 -0.099 0.000 2.069 764 F HA -0.251 4.276 4.527 -0.001 0.000 0.298 764 F C 2.498 178.226 175.800 -0.119 0.000 1.113 764 F CA 1.945 59.807 58.000 -0.231 0.000 1.214 764 F CB -0.160 38.590 39.000 -0.416 0.000 0.978 764 F HN -0.188 nan 8.300 nan 0.000 0.474 765 R N -0.970 119.568 120.500 0.063 0.000 2.113 765 R HA -0.276 4.064 4.340 -0.000 0.000 0.244 765 R C 2.293 178.650 176.300 0.095 0.000 1.142 765 R CA 2.366 58.499 56.100 0.054 0.000 0.953 765 R CB -1.019 29.377 30.300 0.161 0.000 0.860 765 R HN 0.378 nan 8.270 nan 0.000 0.438 766 Y N 0.504 120.798 120.300 -0.010 0.000 2.224 766 Y HA -0.124 4.425 4.550 -0.001 0.000 0.289 766 Y C 2.533 178.389 175.900 -0.072 0.000 1.146 766 Y CA 1.476 59.575 58.100 -0.002 0.000 1.182 766 Y CB -0.226 38.285 38.460 0.086 0.000 0.983 766 Y HN 0.086 nan 8.280 nan 0.000 0.524 767 R N -1.709 118.790 120.500 -0.002 0.000 2.127 767 R HA -0.208 4.132 4.340 -0.000 0.000 0.238 767 R C 0.678 176.963 176.300 -0.025 0.000 1.134 767 R CA 1.338 57.349 56.100 -0.149 0.000 0.975 767 R CB -0.365 29.761 30.300 -0.289 0.000 0.865 767 R HN 0.298 nan 8.270 nan 0.000 0.447 768 W N 2.263 123.412 121.300 -0.251 0.000 3.151 768 W HA 0.108 4.767 4.660 -0.001 0.000 0.424 768 W C 1.315 177.695 176.519 -0.231 0.000 1.012 768 W CA -0.649 56.549 57.345 -0.245 0.000 2.018 768 W CB -0.429 28.844 29.460 -0.312 0.000 1.087 768 W HN 0.264 nan 8.180 nan 0.000 0.740 769 Q N -0.294 119.464 119.800 -0.069 0.000 2.135 769 Q HA -0.207 4.132 4.340 -0.000 0.000 0.204 769 Q C 1.014 176.901 176.000 -0.190 0.000 0.981 769 Q CA 1.534 57.216 55.803 -0.202 0.000 0.856 769 Q CB -0.253 28.274 28.738 -0.352 0.000 0.902 769 Q HN 0.102 nan 8.270 nan 0.000 0.425 770 E N 0.800 120.927 120.200 -0.122 0.000 2.299 770 E HA -0.012 4.337 4.350 -0.000 0.000 0.193 770 E C 2.231 178.781 176.600 -0.083 0.000 0.998 770 E CA 0.597 56.962 56.400 -0.058 0.000 0.851 770 E CB 0.030 29.698 29.700 -0.053 0.000 0.795 770 E HN 0.249 nan 8.360 nan 0.000 0.492 771 V N 1.686 121.509 119.914 -0.151 0.000 2.295 771 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 771 V C 2.457 178.418 176.094 -0.223 0.000 1.049 771 V CA 1.386 63.550 62.300 -0.226 0.000 1.024 771 V CB -0.548 31.033 31.823 -0.404 0.000 0.648 771 V HN 0.179 nan 8.190 nan 0.000 0.447 772 L N -1.571 119.492 121.223 -0.267 0.000 1.976 772 L HA -0.201 4.138 4.340 -0.000 0.000 0.209 772 L C 2.525 179.011 176.870 -0.639 0.000 1.071 772 L CA 2.073 56.630 54.840 -0.472 0.000 0.746 772 L CB -0.849 40.844 42.059 -0.608 0.000 0.890 772 L HN 0.291 nan 8.230 nan 0.000 0.432 773 Y N 1.035 120.880 120.300 -0.758 0.000 2.114 773 Y HA -0.314 4.235 4.550 -0.000 0.000 0.282 773 Y C 2.816 178.562 175.900 -0.258 0.000 1.165 773 Y CA 2.036 59.820 58.100 -0.528 0.000 1.148 773 Y CB -0.740 37.557 38.460 -0.273 0.000 0.972 773 Y HN 0.116 nan 8.280 nan 0.000 0.504 774 T N 0.114 114.620 114.554 -0.079 0.000 2.720 774 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 774 T C 2.106 176.769 174.700 -0.063 0.000 1.037 774 T CA 1.526 63.614 62.100 -0.020 0.000 1.144 774 T CB -0.736 68.158 68.868 0.043 0.000 0.864 774 T HN 0.468 nan 8.240 nan 0.000 0.444 775 A N 1.043 123.782 122.820 -0.135 0.000 1.933 775 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 775 A C 2.206 179.686 177.584 -0.173 0.000 1.175 775 A CA 1.787 53.742 52.037 -0.135 0.000 0.628 775 A CB -0.618 18.291 19.000 -0.151 0.000 0.814 775 A HN 0.403 nan 8.150 nan 0.000 0.444 776 M N -1.521 117.936 119.600 -0.238 0.000 2.117 776 M HA -0.103 4.377 4.480 -0.000 0.000 0.262 776 M C 1.959 178.054 176.300 -0.342 0.000 1.065 776 M CA 1.748 56.919 55.300 -0.214 0.000 1.114 776 M CB -0.957 31.578 32.600 -0.108 0.000 1.361 776 M HN 0.560 nan 8.290 nan 0.000 0.408 777 Y N 0.518 120.464 120.300 -0.590 0.000 2.181 777 Y HA -0.258 4.292 4.550 -0.000 0.000 0.288 777 Y C 2.103 177.737 175.900 -0.442 0.000 1.146 777 Y CA 2.247 59.907 58.100 -0.734 0.000 1.164 777 Y CB -0.590 37.221 38.460 -1.082 0.000 0.982 777 Y HN 0.401 nan 8.280 nan 0.000 0.515 778 Q N 0.101 119.668 119.800 -0.388 0.000 2.181 778 Q HA -0.231 4.108 4.340 -0.000 0.000 0.205 778 Q C 2.207 178.061 176.000 -0.244 0.000 0.980 778 Q CA 1.444 57.131 55.803 -0.194 0.000 0.862 778 Q CB -0.326 28.442 28.738 0.050 0.000 0.905 778 Q HN 0.588 nan 8.270 nan 0.000 0.429 779 N N 0.256 118.788 118.700 -0.280 0.000 2.109 779 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 779 N C 1.737 177.029 175.510 -0.363 0.000 1.034 779 N CA 1.324 54.224 53.050 -0.250 0.000 0.846 779 N CB -0.013 38.356 38.487 -0.197 0.000 1.010 779 N HN 0.193 nan 8.380 nan 0.000 0.425 780 A N 0.753 123.293 122.820 -0.467 0.000 1.940 780 A HA -0.006 4.313 4.320 -0.000 0.000 0.219 780 A C 2.268 179.506 177.584 -0.577 0.000 1.176 780 A CA 2.033 53.782 52.037 -0.479 0.000 0.631 780 A CB -0.737 17.984 19.000 -0.465 0.000 0.814 780 A HN 0.503 nan 8.150 nan 0.000 0.446 781 A N -2.504 119.752 122.820 -0.941 0.000 2.030 781 A HA 0.389 4.709 4.320 -0.000 0.000 0.215 781 A C 1.342 178.290 177.584 -1.059 0.000 1.164 781 A CA 1.146 52.431 52.037 -1.253 0.000 0.697 781 A CB -0.153 17.467 19.000 -2.300 0.000 0.827 781 A HN 0.501 nan 8.150 nan 0.000 0.457 782 F N -2.389 117.385 119.950 -0.293 0.000 2.925 782 F HA 0.383 4.910 4.527 -0.000 0.000 0.355 782 F C 1.573 177.295 175.800 -0.130 0.000 1.073 782 F CA -0.201 57.697 58.000 -0.170 0.000 1.127 782 F CB 0.010 38.918 39.000 -0.153 0.000 1.123 782 F HN 0.257 nan 8.300 nan 0.000 0.551 783 G N 1.487 110.252 108.800 -0.057 0.000 2.160 783 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.251 783 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.251 783 G C 0.195 175.076 174.900 -0.032 0.000 1.008 783 G CA -0.074 44.980 45.100 -0.077 0.000 0.724 783 G HN 0.334 nan 8.290 nan 0.000 0.514 784 K N 1.834 122.230 120.400 -0.007 0.000 2.349 784 K HA 0.320 4.639 4.320 -0.000 0.000 0.289 784 K C -1.976 174.600 176.600 -0.041 0.000 1.064 784 K CA -1.409 54.878 56.287 0.000 0.000 0.947 784 K CB 1.051 33.562 32.500 0.018 0.000 1.007 784 K HN 0.169 nan 8.250 nan 0.000 0.478 785 P HA -0.066 nan 4.420 nan 0.000 0.265 785 P C 0.493 177.756 177.300 -0.061 0.000 1.193 785 P CA 0.324 63.401 63.100 -0.038 0.000 0.765 785 P CB 0.633 32.331 31.700 -0.004 0.000 0.823 786 I N 2.262 122.801 120.570 -0.052 0.000 2.202 786 I HA -0.106 4.064 4.170 -0.000 0.000 0.242 786 I C 1.195 177.285 176.117 -0.047 0.000 1.091 786 I CA 1.201 62.469 61.300 -0.053 0.000 1.368 786 I CB -0.238 37.754 38.000 -0.013 0.000 1.058 786 I HN 0.224 nan 8.210 nan 0.000 0.410 787 I N 2.736 123.292 120.570 -0.023 0.000 2.342 787 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 787 I C -0.051 176.064 176.117 -0.003 0.000 1.010 787 I CA -0.327 60.972 61.300 -0.001 0.000 1.308 787 I CB 0.906 38.867 38.000 -0.065 0.000 1.400 787 I HN 0.073 nan 8.210 nan 0.000 0.488 788 K N 5.630 126.041 120.400 0.018 0.000 2.293 788 K HA 0.550 4.870 4.320 -0.000 0.000 0.267 788 K C -0.111 176.573 176.600 0.139 0.000 1.010 788 K CA -0.581 55.712 56.287 0.011 0.000 0.875 788 K CB 1.736 34.126 32.500 -0.183 0.000 1.106 788 K HN 0.661 nan 8.250 nan 0.000 0.450 789 A N 2.241 125.136 122.820 0.124 0.000 2.587 789 A HA 0.159 4.479 4.320 -0.000 0.000 0.233 789 A C 1.516 179.204 177.584 0.172 0.000 1.049 789 A CA 0.751 52.878 52.037 0.149 0.000 0.754 789 A CB 0.098 19.153 19.000 0.092 0.000 0.977 789 A HN 0.863 nan 8.150 nan 0.000 0.509 790 A N 2.137 125.070 122.820 0.188 0.000 1.986 790 A HA -0.123 4.196 4.320 -0.000 0.000 0.220 790 A C 2.313 179.980 177.584 0.139 0.000 1.171 790 A CA 2.374 54.515 52.037 0.173 0.000 0.640 790 A CB -1.021 18.059 19.000 0.132 0.000 0.811 790 A HN 1.812 nan 8.150 nan 0.000 0.451 791 S N -0.785 114.939 115.700 0.041 0.000 2.507 791 S HA -0.041 4.429 4.470 -0.000 0.000 0.235 791 S C 1.691 176.268 174.600 -0.039 0.000 0.988 791 S CA 1.268 59.425 58.200 -0.070 0.000 0.944 791 S CB -0.571 62.418 63.200 -0.351 0.000 0.762 791 S HN 0.565 nan 8.310 nan 0.000 0.526 792 M N -0.075 119.569 119.600 0.074 0.000 2.394 792 M HA 0.138 4.617 4.480 -0.000 0.000 0.264 792 M C 0.390 176.799 176.300 0.183 0.000 1.073 792 M CA 0.580 55.973 55.300 0.155 0.000 1.111 792 M CB -0.248 32.520 32.600 0.281 0.000 1.401 792 M HN 0.384 nan 8.290 nan 0.000 0.448 793 Y N 2.949 123.308 120.300 0.098 0.000 2.539 793 Y HA 0.118 4.668 4.550 -0.001 0.000 0.352 793 Y C 0.061 175.936 175.900 -0.043 0.000 1.004 793 Y CA -0.896 57.205 58.100 0.002 0.000 1.278 793 Y CB 0.081 38.611 38.460 0.118 0.000 1.136 793 Y HN 0.100 nan 8.280 nan 0.000 0.528 794 N N 4.423 122.971 118.700 -0.253 0.000 2.444 794 N HA 0.020 4.759 4.740 -0.000 0.000 0.255 794 N C -0.133 175.337 175.510 -0.066 0.000 1.255 794 N CA 0.275 53.240 53.050 -0.143 0.000 0.933 794 N CB 0.367 38.739 38.487 -0.192 0.000 1.143 794 N HN 0.806 nan 8.380 nan 0.000 0.453 795 N N -1.030 117.662 118.700 -0.012 0.000 2.741 795 N HA -0.192 4.548 4.740 -0.000 0.000 0.250 795 N C -1.458 174.117 175.510 0.107 0.000 1.115 795 N CA 0.706 53.771 53.050 0.025 0.000 0.724 795 N CB -0.660 37.821 38.487 -0.010 0.000 1.090 795 N HN 0.527 nan 8.380 nan 0.000 0.558 796 D N -0.271 120.217 120.400 0.147 0.000 2.492 796 D HA 0.290 4.930 4.640 -0.000 0.000 0.248 796 D C 0.309 176.643 176.300 0.057 0.000 1.101 796 D CA -0.311 53.787 54.000 0.164 0.000 0.840 796 D CB 0.967 41.937 40.800 0.283 0.000 1.209 796 D HN 0.169 nan 8.370 nan 0.000 0.524 797 S N 2.109 117.815 115.700 0.010 0.000 2.597 797 S HA 0.130 4.600 4.470 -0.000 0.000 0.224 797 S C 0.713 175.234 174.600 -0.131 0.000 0.955 797 S CA -0.161 58.012 58.200 -0.045 0.000 0.933 797 S CB -0.145 63.036 63.200 -0.032 0.000 0.788 797 S HN 0.463 nan 8.310 nan 0.000 0.488 798 N N 0.440 118.996 118.700 -0.240 0.000 2.239 798 N HA 0.121 4.860 4.740 -0.000 0.000 0.208 798 N C 1.427 176.612 175.510 -0.542 0.000 1.200 798 N CA 0.585 53.321 53.050 -0.524 0.000 0.895 798 N CB 0.907 38.765 38.487 -1.048 0.000 1.085 798 N HN 0.314 nan 8.380 nan 0.000 0.500 799 V N -0.177 119.580 119.914 -0.262 0.000 2.568 799 V HA -0.163 3.956 4.120 -0.000 0.000 0.253 799 V C 2.140 178.174 176.094 -0.101 0.000 1.072 799 V CA 1.457 63.691 62.300 -0.109 0.000 1.084 799 V CB -0.586 31.263 31.823 0.043 0.000 0.676 799 V HN 0.256 nan 8.190 nan 0.000 0.469 800 R N 0.825 121.270 120.500 -0.091 0.000 2.090 800 R HA -0.114 4.226 4.340 -0.000 0.000 0.228 800 R C 2.640 178.906 176.300 -0.056 0.000 1.110 800 R CA 1.542 57.629 56.100 -0.021 0.000 0.973 800 R CB -0.314 29.983 30.300 -0.005 0.000 0.869 800 R HN 0.597 nan 8.270 nan 0.000 0.440 801 R N 0.016 120.434 120.500 -0.136 0.000 2.120 801 R HA -0.084 4.255 4.340 -0.000 0.000 0.234 801 R C 1.660 177.871 176.300 -0.150 0.000 1.123 801 R CA 1.632 57.645 56.100 -0.144 0.000 0.975 801 R CB -0.175 30.011 30.300 -0.191 0.000 0.866 801 R HN 0.266 nan 8.270 nan 0.000 0.446 802 A N 1.222 123.909 122.820 -0.223 0.000 2.178 802 A HA -0.063 4.257 4.320 -0.000 0.000 0.211 802 A C 1.892 179.417 177.584 -0.098 0.000 1.157 802 A CA 0.402 52.240 52.037 -0.330 0.000 0.780 802 A CB -0.218 18.377 19.000 -0.675 0.000 0.828 802 A HN 0.644 nan 8.150 nan 0.000 0.476 803 Q N 0.378 120.181 119.800 0.005 0.000 2.248 803 Q HA -0.244 4.096 4.340 -0.000 0.000 0.208 803 Q C 0.961 177.067 176.000 0.176 0.000 0.984 803 Q CA 1.648 57.525 55.803 0.123 0.000 0.875 803 Q CB -0.624 28.219 28.738 0.174 0.000 0.910 803 Q HN 0.550 nan 8.270 nan 0.000 0.433 804 N N 2.025 120.814 118.700 0.149 0.000 2.166 804 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 804 N C 0.368 176.005 175.510 0.211 0.000 1.019 804 N CA 1.799 54.947 53.050 0.164 0.000 0.856 804 N CB -0.022 38.550 38.487 0.141 0.000 0.993 804 N HN 0.686 nan 8.380 nan 0.000 0.426 805 D N -2.275 118.293 120.400 0.281 0.000 2.594 805 D HA 0.087 4.726 4.640 -0.000 0.000 0.256 805 D C -0.642 175.856 176.300 0.330 0.000 1.393 805 D CA -0.353 53.830 54.000 0.305 0.000 0.797 805 D CB -0.769 40.165 40.800 0.223 0.000 1.110 805 D HN 0.036 nan 8.370 nan 0.000 0.495 806 H N 0.355 119.517 119.070 0.153 0.000 2.505 806 H HA 0.660 5.216 4.556 -0.000 0.000 0.338 806 H C -0.755 174.674 175.328 0.168 0.000 1.057 806 H CA -0.864 55.208 56.048 0.040 0.000 1.202 806 H CB 0.925 30.672 29.762 -0.025 0.000 1.466 806 H HN 0.110 nan 8.280 nan 0.000 0.499 807 F N 0.785 120.788 119.950 0.089 0.000 2.685 807 F HA 0.772 5.298 4.527 -0.001 0.000 0.315 807 F C -2.131 173.702 175.800 0.056 0.000 1.126 807 F CA -1.318 56.730 58.000 0.080 0.000 0.950 807 F CB 0.945 39.991 39.000 0.076 0.000 1.360 807 F HN 0.178 nan 8.300 nan 0.000 0.469 808 L N 2.206 123.583 121.223 0.257 0.000 2.327 808 L HA 0.905 5.244 4.340 -0.000 0.000 0.258 808 L C -0.682 176.251 176.870 0.105 0.000 1.024 808 L CA -0.830 54.087 54.840 0.128 0.000 0.825 808 L CB 2.091 44.246 42.059 0.159 0.000 1.386 808 L HN 0.941 nan 8.230 nan 0.000 0.417 809 L N -1.809 119.426 121.223 0.021 0.000 2.892 809 L HA 1.040 5.379 4.340 -0.000 0.000 0.269 809 L C -0.130 176.670 176.870 -0.117 0.000 1.058 809 L CA -0.614 54.191 54.840 -0.058 0.000 0.923 809 L CB 1.588 43.671 42.059 0.040 0.000 1.518 809 L HN 0.948 nan 8.230 nan 0.000 0.402 810 G N -1.103 107.602 108.800 -0.159 0.000 2.787 810 G HA2 0.452 4.411 3.960 -0.000 0.000 0.685 810 G HA3 0.452 4.411 3.960 -0.000 0.000 0.685 810 G C 0.308 175.093 174.900 -0.192 0.000 1.437 810 G CA -0.038 44.940 45.100 -0.203 0.000 0.872 810 G HN 3.006 nan 8.290 nan 0.000 0.566 811 G N -0.383 108.306 108.800 -0.186 0.000 2.660 811 G HA2 0.237 4.197 3.960 -0.000 0.000 0.247 811 G HA3 0.237 4.197 3.960 -0.000 0.000 0.247 811 G C 0.615 175.481 174.900 -0.057 0.000 1.328 811 G CA 1.223 46.255 45.100 -0.113 0.000 0.884 811 G HN 2.722 nan 8.290 nan 0.000 0.531 812 H N -1.037 118.016 119.070 -0.028 0.000 2.423 812 H HA 0.083 4.639 4.556 -0.000 0.000 0.297 812 H C 1.857 177.189 175.328 0.005 0.000 1.075 812 H CA 2.179 58.223 56.048 -0.007 0.000 1.342 812 H CB 0.044 29.793 29.762 -0.021 0.000 1.395 812 H HN 0.597 nan 8.280 nan 0.000 0.530 813 D N -1.125 118.905 120.400 -0.618 0.000 2.380 813 D HA 0.126 4.766 4.640 -0.000 0.000 0.212 813 D C 1.690 177.967 176.300 -0.037 0.000 1.021 813 D CA 0.645 54.488 54.000 -0.263 0.000 0.884 813 D CB -0.177 40.452 40.800 -0.285 0.000 1.001 813 D HN 0.612 nan 8.370 nan 0.000 0.506 814 G N -0.274 108.456 108.800 -0.118 0.000 2.138 814 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.193 814 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.193 814 G C -0.179 174.478 174.900 -0.404 0.000 0.998 814 G CA 0.095 45.066 45.100 -0.217 0.000 0.668 814 G HN 0.367 nan 8.290 nan 0.000 0.516 815 Y N -0.553 119.709 120.300 -0.063 0.000 2.696 815 Y HA 0.397 4.947 4.550 -0.000 0.000 0.255 815 Y C 1.881 177.834 175.900 0.088 0.000 1.103 815 Y CA -0.740 57.400 58.100 0.067 0.000 1.126 815 Y CB 0.514 39.036 38.460 0.103 0.000 1.197 815 Y HN 0.096 nan 8.280 nan 0.000 0.574 816 R N 0.264 120.807 120.500 0.071 0.000 2.189 816 R HA 0.290 4.630 4.340 -0.000 0.000 0.203 816 R C -0.049 176.297 176.300 0.077 0.000 1.012 816 R CA 0.557 56.658 56.100 0.002 0.000 1.015 816 R CB 0.428 30.652 30.300 -0.126 0.000 0.938 816 R HN 0.300 nan 8.270 nan 0.000 0.472 817 I N 1.549 122.165 120.570 0.076 0.000 2.378 817 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 817 I C -0.643 175.570 176.117 0.160 0.000 0.992 817 I CA -0.977 60.404 61.300 0.135 0.000 1.154 817 I CB 1.897 39.906 38.000 0.016 0.000 1.315 817 I HN -0.206 nan 8.210 nan 0.000 0.448 818 L N 7.151 128.452 121.223 0.130 0.000 2.295 818 L HA 0.595 4.934 4.340 -0.000 0.000 0.285 818 L C -0.948 175.837 176.870 -0.141 0.000 1.035 818 L CA 0.198 54.938 54.840 -0.166 0.000 0.806 818 L CB 1.020 42.665 42.059 -0.689 0.000 1.214 818 L HN 0.686 nan 8.230 nan 0.000 0.426 819 C N 4.078 123.105 119.300 -0.455 0.000 2.498 819 C HA 0.863 5.323 4.460 -0.000 0.000 0.316 819 C C 0.257 174.817 174.990 -0.717 0.000 1.209 819 C CA -0.687 57.954 59.018 -0.628 0.000 1.518 819 C CB 0.938 28.027 27.740 -1.085 0.000 2.147 819 C HN 0.918 nan 8.230 nan 0.000 0.483 820 A N 4.227 126.778 122.820 -0.448 0.000 3.370 820 A HA 0.557 4.877 4.320 -0.000 0.000 0.295 820 A C -2.796 174.683 177.584 -0.175 0.000 1.030 820 A CA -0.823 50.928 52.037 -0.477 0.000 0.883 820 A CB 0.067 18.556 19.000 -0.852 0.000 1.191 820 A HN 0.661 nan 8.150 nan 0.000 0.507 821 P HA 0.105 nan 4.420 nan 0.000 0.266 821 P C 0.276 177.594 177.300 0.029 0.000 1.195 821 P CA 0.387 63.500 63.100 0.022 0.000 0.768 821 P CB 0.931 32.690 31.700 0.098 0.000 0.838 822 V N 4.147 124.084 119.914 0.039 0.000 2.485 822 V HA -0.052 4.067 4.120 -0.000 0.000 0.287 822 V C 1.742 177.848 176.094 0.021 0.000 1.022 822 V CA 0.473 62.818 62.300 0.075 0.000 1.067 822 V CB 0.655 32.533 31.823 0.093 0.000 0.967 822 V HN 0.503 nan 8.190 nan 0.000 0.479 823 V N 1.479 121.383 119.914 -0.017 0.000 3.483 823 V HA 0.386 4.506 4.120 -0.000 0.000 0.301 823 V C -0.165 175.658 176.094 -0.452 0.000 1.389 823 V CA -0.288 61.859 62.300 -0.254 0.000 1.101 823 V CB -0.602 31.021 31.823 -0.334 0.000 0.971 823 V HN 0.706 nan 8.190 nan 0.000 0.434 824 W N 0.269 121.586 121.300 0.029 0.000 2.785 824 W HA 0.606 5.266 4.660 -0.001 0.000 0.333 824 W C 0.247 176.775 176.519 0.015 0.000 1.062 824 W CA -0.711 56.652 57.345 0.030 0.000 1.233 824 W CB 1.181 30.670 29.460 0.049 0.000 1.413 824 W HN -0.004 nan 8.180 nan 0.000 0.489 825 E N 1.775 122.121 120.200 0.243 0.000 2.459 825 E HA -0.092 4.258 4.350 -0.000 0.000 0.264 825 E C 0.306 176.995 176.600 0.149 0.000 1.055 825 E CA 0.766 57.254 56.400 0.145 0.000 0.957 825 E CB 0.169 29.935 29.700 0.111 0.000 0.952 825 E HN 0.697 nan 8.360 nan 0.000 0.448 826 N N 0.512 119.270 118.700 0.097 0.000 2.708 826 N HA -0.238 4.502 4.740 -0.000 0.000 0.249 826 N C -1.326 174.231 175.510 0.080 0.000 1.097 826 N CA 0.578 53.674 53.050 0.077 0.000 0.710 826 N CB -0.727 37.801 38.487 0.069 0.000 1.032 826 N HN 0.181 nan 8.380 nan 0.000 0.551 827 S N -0.408 115.352 115.700 0.100 0.000 2.500 827 S HA 0.603 5.073 4.470 -0.000 0.000 0.301 827 S C 0.332 174.984 174.600 0.086 0.000 1.092 827 S CA -0.256 58.005 58.200 0.102 0.000 1.030 827 S CB 1.284 64.581 63.200 0.162 0.000 1.031 827 S HN 0.275 nan 8.310 nan 0.000 0.483 828 T N 0.825 115.422 114.554 0.071 0.000 3.448 828 T HA 0.596 4.945 4.350 -0.000 0.000 0.271 828 T C -0.677 174.062 174.700 0.066 0.000 1.002 828 T CA -0.603 61.532 62.100 0.058 0.000 0.995 828 T CB -0.499 68.390 68.868 0.036 0.000 1.153 828 T HN 0.709 nan 8.240 nan 0.000 0.510 829 E N -0.034 120.227 120.200 0.102 0.000 2.403 829 E HA 0.699 5.048 4.350 -0.000 0.000 0.280 829 E C -1.105 175.601 176.600 0.176 0.000 1.101 829 E CA -1.365 55.114 56.400 0.132 0.000 0.856 829 E CB 0.850 30.615 29.700 0.108 0.000 1.303 829 E HN 0.422 nan 8.360 nan 0.000 0.441 830 R N -0.547 120.083 120.500 0.217 0.000 2.664 830 R HA 0.445 4.784 4.340 -0.000 0.000 0.260 830 R C -1.389 175.031 176.300 0.200 0.000 1.062 830 R CA -0.967 55.260 56.100 0.212 0.000 0.902 830 R CB 1.143 31.571 30.300 0.214 0.000 1.258 830 R HN 0.616 nan 8.270 nan 0.000 0.465 831 E N 2.158 122.442 120.200 0.141 0.000 2.324 831 E HA 0.176 4.526 4.350 -0.000 0.000 0.271 831 E C -1.197 175.433 176.600 0.050 0.000 1.028 831 E CA -0.452 55.969 56.400 0.035 0.000 0.890 831 E CB 0.759 30.407 29.700 -0.088 0.000 1.004 831 E HN 0.493 nan 8.360 nan 0.000 0.431 832 L N 6.683 127.894 121.223 -0.020 0.000 2.333 832 L HA 0.346 4.686 4.340 -0.000 0.000 0.280 832 L C -1.669 175.140 176.870 -0.101 0.000 1.004 832 L CA -0.730 54.072 54.840 -0.064 0.000 0.820 832 L CB 1.197 43.005 42.059 -0.418 0.000 1.247 832 L HN 0.526 nan 8.230 nan 0.000 0.416 833 Y N 5.323 125.517 120.300 -0.176 0.000 2.352 833 Y HA 0.665 5.215 4.550 -0.000 0.000 0.339 833 Y C -1.408 174.271 175.900 -0.368 0.000 0.992 833 Y CA -0.944 56.980 58.100 -0.294 0.000 1.100 833 Y CB 1.340 39.601 38.460 -0.333 0.000 1.192 833 Y HN 0.547 nan 8.280 nan 0.000 0.458 834 L N 9.049 129.529 121.223 -1.238 0.000 2.265 834 L HA 0.449 4.789 4.340 -0.000 0.000 0.289 834 L C -2.236 173.863 176.870 -1.285 0.000 1.033 834 L CA -2.252 51.857 54.840 -1.218 0.000 0.814 834 L CB 0.965 42.472 42.059 -0.919 0.000 1.203 834 L HN 0.546 nan 8.230 nan 0.000 0.423 835 P HA -0.130 nan 4.420 nan 0.000 0.259 835 P C 0.039 177.213 177.300 -0.211 0.000 1.155 835 P CA 0.367 63.113 63.100 -0.590 0.000 0.759 835 P CB 0.550 31.615 31.700 -1.058 0.000 0.753 836 V N 6.116 126.024 119.914 -0.010 0.000 3.185 836 V HA 0.059 4.179 4.120 -0.000 0.000 0.305 836 V C 1.252 177.466 176.094 0.202 0.000 1.090 836 V CA -0.021 62.346 62.300 0.113 0.000 1.107 836 V CB -0.427 31.498 31.823 0.170 0.000 1.061 836 V HN 0.586 nan 8.190 nan 0.000 0.480 837 L N 2.472 123.761 121.223 0.109 0.000 3.898 837 L HA -0.148 4.192 4.340 -0.000 0.000 0.407 837 L C 0.157 177.046 176.870 0.032 0.000 1.207 837 L CA 0.942 55.824 54.840 0.070 0.000 0.931 837 L CB -2.390 39.713 42.059 0.072 0.000 2.014 837 L HN 0.914 nan 8.230 nan 0.000 0.858 838 T N -1.785 112.758 114.554 -0.018 0.000 2.792 838 T HA 0.570 4.920 4.350 -0.000 0.000 0.303 838 T C -1.248 173.265 174.700 -0.312 0.000 1.310 838 T CA -0.629 61.359 62.100 -0.187 0.000 1.007 838 T CB 1.932 70.631 68.868 -0.282 0.000 1.335 838 T HN 0.132 nan 8.240 nan 0.000 0.504 839 Q N 0.744 120.300 119.800 -0.406 0.000 2.226 839 Q HA 0.482 4.822 4.340 -0.000 0.000 0.256 839 Q C -1.299 174.270 176.000 -0.719 0.000 0.962 839 Q CA -0.285 55.265 55.803 -0.422 0.000 0.887 839 Q CB 1.735 30.306 28.738 -0.278 0.000 1.282 839 Q HN 0.674 nan 8.270 nan 0.000 0.449 840 W N 0.658 121.745 121.300 -0.353 0.000 2.844 840 W HA 0.454 5.114 4.660 -0.001 0.000 0.340 840 W C -1.030 175.248 176.519 -0.402 0.000 1.093 840 W CA -0.563 56.614 57.345 -0.279 0.000 1.212 840 W CB 1.288 30.569 29.460 -0.297 0.000 1.422 840 W HN 0.430 nan 8.180 nan 0.000 0.515 841 Y N 1.837 122.350 120.300 0.355 0.000 2.331 841 Y HA 0.270 4.819 4.550 -0.000 0.000 0.334 841 Y C 0.362 176.416 175.900 0.256 0.000 0.960 841 Y CA -1.551 56.693 58.100 0.240 0.000 1.130 841 Y CB 1.640 40.181 38.460 0.135 0.000 1.164 841 Y HN 0.179 nan 8.280 nan 0.000 0.458 842 K N 3.402 123.975 120.400 0.288 0.000 2.453 842 K HA 0.093 4.413 4.320 -0.000 0.000 0.280 842 K C -1.197 175.120 176.600 -0.472 0.000 1.045 842 K CA 0.570 56.837 56.287 -0.035 0.000 1.059 842 K CB 0.208 32.731 32.500 0.038 0.000 0.901 842 K HN 0.577 nan 8.250 nan 0.000 0.475 843 F N 1.443 121.082 119.950 -0.517 0.000 2.782 843 F HA 0.712 5.239 4.527 -0.001 0.000 0.366 843 F C 0.459 176.145 175.800 -0.190 0.000 1.171 843 F CA 0.437 58.224 58.000 -0.356 0.000 1.064 843 F CB 1.998 41.022 39.000 0.039 0.000 1.449 843 F HN 0.694 nan 8.300 nan 0.000 0.520 844 G N 0.508 109.036 108.800 -0.452 0.000 2.369 844 G HA2 0.106 4.065 3.960 -0.000 0.000 0.295 844 G HA3 0.106 4.065 3.960 -0.000 0.000 0.295 844 G C -2.831 171.344 174.900 -1.209 0.000 1.298 844 G CA -0.608 43.887 45.100 -1.009 0.000 0.940 844 G HN 0.319 nan 8.290 nan 0.000 0.536 845 P HA 0.101 nan 4.420 nan 0.000 0.231 845 P C 0.706 177.734 177.300 -0.454 0.000 1.158 845 P CA 1.193 63.799 63.100 -0.824 0.000 0.763 845 P CB 0.196 31.310 31.700 -0.976 0.000 0.805 846 D N -2.118 118.014 120.400 -0.446 0.000 2.327 846 D HA 0.075 4.715 4.640 -0.000 0.000 0.205 846 D C 1.246 177.298 176.300 -0.413 0.000 0.989 846 D CA 0.509 54.283 54.000 -0.377 0.000 0.873 846 D CB -0.457 40.096 40.800 -0.412 0.000 0.955 846 D HN 0.183 nan 8.370 nan 0.000 0.515 847 F N 0.844 120.535 119.950 -0.431 0.000 2.748 847 F HA -0.016 4.511 4.527 -0.000 0.000 0.299 847 F C 1.892 177.569 175.800 -0.205 0.000 1.154 847 F CA 0.350 58.127 58.000 -0.372 0.000 1.446 847 F CB 0.158 38.805 39.000 -0.588 0.000 1.112 847 F HN -0.162 nan 8.300 nan 0.000 0.584 848 D N -0.261 120.113 120.400 -0.043 0.000 2.219 848 D HA -0.131 4.509 4.640 -0.000 0.000 0.205 848 D C 1.552 177.957 176.300 0.175 0.000 0.970 848 D CA 1.643 55.740 54.000 0.162 0.000 0.851 848 D CB 0.060 40.987 40.800 0.212 0.000 0.943 848 D HN 0.191 nan 8.370 nan 0.000 0.488 849 T N -2.731 111.860 114.554 0.062 0.000 3.252 849 T HA 0.263 4.613 4.350 -0.000 0.000 0.286 849 T C 0.074 174.777 174.700 0.005 0.000 1.013 849 T CA -0.788 61.344 62.100 0.053 0.000 0.914 849 T CB 0.006 68.883 68.868 0.015 0.000 1.131 849 T HN 0.208 nan 8.240 nan 0.000 0.529 850 K N -0.624 119.776 120.400 -0.001 0.000 2.556 850 K HA 0.726 5.046 4.320 -0.000 0.000 0.274 850 K C -3.607 173.049 176.600 0.094 0.000 0.966 850 K CA -2.365 53.911 56.287 -0.019 0.000 0.865 850 K CB 0.998 33.401 32.500 -0.163 0.000 1.444 850 K HN -0.247 nan 8.250 nan 0.000 0.433 851 P HA 0.051 nan 4.420 nan 0.000 0.269 851 P C -0.408 177.126 177.300 0.390 0.000 1.215 851 P CA -0.308 62.908 63.100 0.193 0.000 0.780 851 P CB 0.345 32.126 31.700 0.134 0.000 0.898 852 L N 0.917 122.394 121.223 0.424 0.000 2.482 852 L HA 0.080 4.420 4.340 -0.000 0.000 0.273 852 L C 1.326 178.456 176.870 0.433 0.000 1.228 852 L CA 0.210 55.343 54.840 0.487 0.000 0.827 852 L CB -0.336 41.897 42.059 0.290 0.000 1.099 852 L HN 0.423 nan 8.230 nan 0.000 0.494 853 E N 0.342 120.817 120.200 0.458 0.000 3.218 853 E HA 0.299 4.649 4.350 -0.000 0.000 0.265 853 E C 0.252 177.055 176.600 0.338 0.000 1.393 853 E CA -0.427 56.188 56.400 0.358 0.000 1.160 853 E CB 0.316 30.226 29.700 0.351 0.000 1.272 853 E HN 0.717 nan 8.360 nan 0.000 0.720 854 G N -0.500 108.456 108.800 0.260 0.000 2.594 854 G HA2 0.337 4.296 3.960 -0.000 0.000 0.243 854 G HA3 0.337 4.296 3.960 -0.000 0.000 0.243 854 G C -0.431 174.574 174.900 0.174 0.000 1.229 854 G CA -0.137 45.102 45.100 0.230 0.000 0.843 854 G HN 0.494 nan 8.290 nan 0.000 0.578 855 A N 1.220 124.094 122.820 0.089 0.000 2.546 855 A HA 0.436 4.756 4.320 -0.000 0.000 0.243 855 A C 0.555 178.039 177.584 -0.167 0.000 1.063 855 A CA 0.346 52.203 52.037 -0.300 0.000 0.757 855 A CB -0.088 18.794 19.000 -0.198 0.000 0.991 855 A HN 0.610 nan 8.150 nan 0.000 0.503 856 M N 3.607 123.073 119.600 -0.224 0.000 2.149 856 M HA 0.188 4.668 4.480 -0.000 0.000 0.342 856 M C -0.363 175.887 176.300 -0.083 0.000 1.068 856 M CA -0.461 54.788 55.300 -0.086 0.000 0.991 856 M CB 1.006 33.582 32.600 -0.039 0.000 1.596 856 M HN 0.666 nan 8.290 nan 0.000 0.439 857 N N 2.359 121.025 118.700 -0.058 0.000 2.447 857 N HA 0.091 4.830 4.740 -0.000 0.000 0.263 857 N C 0.213 175.708 175.510 -0.024 0.000 1.226 857 N CA 0.128 53.152 53.050 -0.042 0.000 0.906 857 N CB 0.708 39.179 38.487 -0.028 0.000 1.060 857 N HN 0.850 nan 8.380 nan 0.000 0.468 858 G N -0.178 108.639 108.800 0.028 0.000 2.491 858 G HA2 0.396 4.356 3.960 -0.000 0.000 0.242 858 G HA3 0.396 4.356 3.960 -0.000 0.000 0.242 858 G C 0.992 175.841 174.900 -0.083 0.000 1.266 858 G CA 0.137 45.264 45.100 0.045 0.000 0.844 858 G HN 0.780 nan 8.290 nan 0.000 0.571 859 G N 1.436 110.067 108.800 -0.282 0.000 2.179 859 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.220 859 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.220 859 G C 0.057 174.924 174.900 -0.055 0.000 0.990 859 G CA 0.186 45.217 45.100 -0.115 0.000 0.646 859 G HN 0.794 nan 8.290 nan 0.000 0.517 860 D N 0.228 120.492 120.400 -0.228 0.000 2.304 860 D HA 0.538 5.178 4.640 -0.000 0.000 0.250 860 D C 0.577 176.839 176.300 -0.064 0.000 1.107 860 D CA 0.031 53.971 54.000 -0.100 0.000 0.885 860 D CB 0.742 41.468 40.800 -0.122 0.000 1.192 860 D HN 0.305 nan 8.370 nan 0.000 0.436 861 R N 3.021 123.569 120.500 0.079 0.000 2.320 861 R HA 0.406 4.746 4.340 -0.000 0.000 0.319 861 R C -0.862 175.454 176.300 0.026 0.000 0.969 861 R CA -0.552 55.583 56.100 0.059 0.000 0.857 861 R CB 0.267 30.603 30.300 0.060 0.000 1.160 861 R HN 0.441 nan 8.270 nan 0.000 0.491 862 I N 5.056 125.610 120.570 -0.027 0.000 2.312 862 I HA 0.246 4.415 4.170 -0.000 0.000 0.290 862 I C -0.457 175.699 176.117 0.065 0.000 1.008 862 I CA -0.845 60.512 61.300 0.095 0.000 1.226 862 I CB 0.767 38.855 38.000 0.147 0.000 1.371 862 I HN 0.461 nan 8.210 nan 0.000 0.468 863 Y N 4.774 125.139 120.300 0.108 0.000 2.304 863 Y HA 0.162 4.712 4.550 -0.000 0.000 0.327 863 Y C 1.137 177.115 175.900 0.129 0.000 1.209 863 Y CA -0.467 57.697 58.100 0.108 0.000 1.299 863 Y CB 0.502 39.008 38.460 0.077 0.000 1.249 863 Y HN 0.596 nan 8.280 nan 0.000 0.519 864 N N 0.952 119.815 118.700 0.273 0.000 2.714 864 N HA -0.327 4.412 4.740 -0.000 0.000 0.252 864 N C -1.112 174.519 175.510 0.200 0.000 1.014 864 N CA 0.496 53.665 53.050 0.199 0.000 0.735 864 N CB -1.569 37.009 38.487 0.151 0.000 0.924 864 N HN 0.638 nan 8.380 nan 0.000 0.540 865 Y N 1.648 122.011 120.300 0.106 0.000 2.436 865 Y HA 0.254 4.804 4.550 -0.001 0.000 0.336 865 Y C -2.004 173.954 175.900 0.097 0.000 1.049 865 Y CA -1.793 56.367 58.100 0.099 0.000 1.294 865 Y CB 0.801 39.318 38.460 0.094 0.000 1.179 865 Y HN 0.061 nan 8.280 nan 0.000 0.520 866 P HA 0.082 nan 4.420 nan 0.000 0.271 866 P C -1.318 175.838 177.300 -0.240 0.000 1.233 866 P CA 0.136 63.086 63.100 -0.251 0.000 0.764 866 P CB 0.665 32.231 31.700 -0.224 0.000 0.825 867 V N 6.083 125.977 119.914 -0.033 0.000 2.320 867 V HA 0.267 4.386 4.120 -0.000 0.000 0.268 867 V C -2.201 173.906 176.094 0.022 0.000 1.021 867 V CA -2.290 60.026 62.300 0.026 0.000 0.813 867 V CB 1.009 32.897 31.823 0.108 0.000 1.054 867 V HN 0.404 nan 8.190 nan 0.000 0.444 868 P HA -0.028 nan 4.420 nan 0.000 0.267 868 P C 0.967 178.275 177.300 0.012 0.000 1.195 868 P CA 0.295 63.401 63.100 0.010 0.000 0.773 868 P CB 0.764 32.467 31.700 0.005 0.000 0.837 869 Q N 1.562 121.367 119.800 0.007 0.000 2.181 869 Q HA -0.183 4.157 4.340 -0.000 0.000 0.205 869 Q C 1.361 177.344 176.000 -0.027 0.000 0.980 869 Q CA 2.067 57.864 55.803 -0.010 0.000 0.862 869 Q CB -0.254 28.482 28.738 -0.003 0.000 0.905 869 Q HN 0.571 nan 8.270 nan 0.000 0.429 870 S N -0.848 114.859 115.700 0.012 0.000 2.660 870 S HA 0.084 4.554 4.470 -0.000 0.000 0.223 870 S C 0.000 174.689 174.600 0.148 0.000 0.963 870 S CA -0.116 58.120 58.200 0.060 0.000 0.932 870 S CB 0.102 63.335 63.200 0.055 0.000 0.775 870 S HN 0.254 nan 8.310 nan 0.000 0.531 871 E N 0.092 120.347 120.200 0.090 0.000 2.359 871 E HA 0.660 5.009 4.350 -0.000 0.000 0.266 871 E C -1.402 175.262 176.600 0.107 0.000 0.920 871 E CA -0.825 55.678 56.400 0.173 0.000 0.788 871 E CB 2.095 31.854 29.700 0.098 0.000 1.279 871 E HN 0.090 nan 8.360 nan 0.000 0.438 872 S N 0.868 116.682 115.700 0.190 0.000 2.572 872 S HA 0.395 4.865 4.470 -0.000 0.000 0.274 872 S C -2.792 171.831 174.600 0.039 0.000 1.150 872 S CA -1.432 56.825 58.200 0.095 0.000 0.944 872 S CB 1.344 64.621 63.200 0.128 0.000 1.071 872 S HN 0.162 nan 8.310 nan 0.000 0.479 873 P HA 0.349 nan 4.420 nan 0.000 0.267 873 P C -1.161 175.953 177.300 -0.310 0.000 1.328 873 P CA 0.286 63.333 63.100 -0.088 0.000 0.990 873 P CB -0.278 31.513 31.700 0.151 0.000 1.168 874 I N 4.129 124.305 120.570 -0.657 0.000 2.498 874 I HA 0.474 4.644 4.170 -0.000 0.000 0.290 874 I C -0.369 175.320 176.117 -0.713 0.000 1.032 874 I CA -0.700 60.360 61.300 -0.400 0.000 1.073 874 I CB 1.557 39.543 38.000 -0.024 0.000 1.251 874 I HN 0.083 nan 8.210 nan 0.000 0.426 875 F N 4.595 124.607 119.950 0.104 0.000 2.576 875 F HA 0.647 5.173 4.527 -0.000 0.000 0.313 875 F C -0.412 175.534 175.800 0.242 0.000 1.078 875 F CA -1.058 57.035 58.000 0.155 0.000 0.921 875 F CB 1.953 40.958 39.000 0.009 0.000 1.232 875 F HN -0.067 nan 8.300 nan 0.000 0.459 876 V N 2.505 122.610 119.914 0.318 0.000 2.448 876 V HA 0.466 4.586 4.120 -0.000 0.000 0.295 876 V C -0.078 176.036 176.094 0.033 0.000 1.025 876 V CA -0.944 61.323 62.300 -0.056 0.000 0.859 876 V CB 1.704 32.996 31.823 -0.885 0.000 0.988 876 V HN 0.703 nan 8.190 nan 0.000 0.431 877 R N 3.175 123.602 120.500 -0.122 0.000 2.490 877 R HA 0.247 4.587 4.340 -0.000 0.000 0.280 877 R C 0.499 176.663 176.300 -0.226 0.000 1.077 877 R CA -0.410 55.389 56.100 -0.502 0.000 1.065 877 R CB 0.736 30.597 30.300 -0.731 0.000 1.003 877 R HN 0.915 nan 8.270 nan 0.000 0.470 878 E N 2.068 122.204 120.200 -0.108 0.000 2.461 878 E HA 0.062 4.411 4.350 -0.000 0.000 0.263 878 E C 0.584 177.166 176.600 -0.030 0.000 1.143 878 E CA 0.261 56.693 56.400 0.053 0.000 0.994 878 E CB 0.244 30.012 29.700 0.113 0.000 0.973 878 E HN 0.810 nan 8.360 nan 0.000 0.457 879 G N 0.290 109.101 108.800 0.018 0.000 2.162 879 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 879 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 879 G C 0.151 175.070 174.900 0.032 0.000 0.976 879 G CA 0.063 45.166 45.100 0.005 0.000 0.655 879 G HN 0.987 nan 8.290 nan 0.000 0.533 880 A N -0.122 122.727 122.820 0.049 0.000 2.292 880 A HA 0.820 5.140 4.320 -0.000 0.000 0.319 880 A C -0.031 177.651 177.584 0.163 0.000 1.206 880 A CA -0.462 51.615 52.037 0.068 0.000 0.835 880 A CB 0.748 19.695 19.000 -0.088 0.000 1.164 880 A HN 0.739 nan 8.150 nan 0.000 0.505 881 I N 3.237 123.885 120.570 0.129 0.000 2.410 881 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 881 I C -0.903 175.303 176.117 0.148 0.000 1.009 881 I CA -0.115 61.277 61.300 0.153 0.000 1.111 881 I CB 1.476 39.521 38.000 0.075 0.000 1.262 881 I HN 0.473 nan 8.210 nan 0.000 0.443 882 L N 8.316 129.640 121.223 0.167 0.000 2.313 882 L HA 0.506 4.846 4.340 -0.000 0.000 0.283 882 L C -2.256 174.626 176.870 0.021 0.000 1.013 882 L CA -1.958 52.903 54.840 0.035 0.000 0.816 882 L CB 1.617 43.638 42.059 -0.064 0.000 1.236 882 L HN 0.279 nan 8.230 nan 0.000 0.419 883 P HA 0.110 nan 4.420 nan 0.000 0.267 883 P C -0.810 176.412 177.300 -0.131 0.000 1.205 883 P CA -0.018 62.911 63.100 -0.285 0.000 0.765 883 P CB 0.876 32.437 31.700 -0.232 0.000 0.828 884 T N 4.038 118.526 114.554 -0.109 0.000 2.916 884 T HA 0.461 4.811 4.350 -0.000 0.000 0.298 884 T C -0.321 174.339 174.700 -0.066 0.000 1.031 884 T CA -0.779 61.332 62.100 0.019 0.000 0.993 884 T CB 1.544 70.507 68.868 0.159 0.000 1.045 884 T HN 0.207 nan 8.240 nan 0.000 0.454 885 R N 1.451 121.852 120.500 -0.165 0.000 2.637 885 R HA 0.676 5.016 4.340 -0.000 0.000 0.291 885 R C -1.423 174.742 176.300 -0.226 0.000 0.963 885 R CA -0.748 55.316 56.100 -0.061 0.000 0.901 885 R CB 1.464 31.787 30.300 0.038 0.000 1.160 885 R HN 0.669 nan 8.270 nan 0.000 0.457 886 Y N -1.083 119.376 120.300 0.266 0.000 2.605 886 Y HA 0.364 4.913 4.550 -0.000 0.000 0.343 886 Y C 0.729 176.719 175.900 0.149 0.000 1.036 886 Y CA -0.836 57.411 58.100 0.244 0.000 1.065 886 Y CB 1.885 40.505 38.460 0.267 0.000 1.288 886 Y HN 0.544 nan 8.280 nan 0.000 0.481 887 T N -0.898 113.806 114.554 0.250 0.000 2.882 887 T HA 0.266 4.616 4.350 -0.000 0.000 0.287 887 T C 0.612 175.360 174.700 0.079 0.000 0.992 887 T CA -0.656 61.446 62.100 0.004 0.000 1.076 887 T CB 1.229 70.059 68.868 -0.064 0.000 0.961 887 T HN 0.615 nan 8.240 nan 0.000 0.490 888 L N 2.402 123.628 121.223 0.004 0.000 2.017 888 L HA -0.028 4.311 4.340 -0.000 0.000 0.208 888 L C 2.220 179.137 176.870 0.078 0.000 1.073 888 L CA 2.010 56.880 54.840 0.049 0.000 0.745 888 L CB -0.841 41.224 42.059 0.010 0.000 0.894 888 L HN 0.943 nan 8.230 nan 0.000 0.432 889 N N -0.813 117.903 118.700 0.027 0.000 2.398 889 N HA 0.089 4.829 4.740 -0.000 0.000 0.188 889 N C 1.380 176.902 175.510 0.020 0.000 1.122 889 N CA 0.891 53.950 53.050 0.015 0.000 0.866 889 N CB -0.050 38.433 38.487 -0.007 0.000 0.970 889 N HN 0.364 nan 8.380 nan 0.000 0.462 890 G N -0.650 108.181 108.800 0.051 0.000 2.199 890 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.254 890 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.254 890 G C -0.165 174.761 174.900 0.043 0.000 0.982 890 G CA 0.354 45.487 45.100 0.055 0.000 0.632 890 G HN 0.519 nan 8.290 nan 0.000 0.529 891 E N 0.414 120.629 120.200 0.025 0.000 2.342 891 E HA 0.417 4.766 4.350 -0.000 0.000 0.257 891 E C -0.164 176.457 176.600 0.035 0.000 1.150 891 E CA -0.767 55.644 56.400 0.019 0.000 0.926 891 E CB 0.354 30.058 29.700 0.007 0.000 1.074 891 E HN 0.214 nan 8.360 nan 0.000 0.449 892 N N 2.172 120.894 118.700 0.036 0.000 2.434 892 N HA 0.159 4.899 4.740 -0.000 0.000 0.272 892 N C -0.772 174.788 175.510 0.083 0.000 1.040 892 N CA -0.171 52.913 53.050 0.057 0.000 0.956 892 N CB 1.047 39.545 38.487 0.018 0.000 1.108 892 N HN 0.377 nan 8.380 nan 0.000 0.481 893 K N -1.462 119.021 120.400 0.139 0.000 2.433 893 K HA 0.526 4.846 4.320 -0.000 0.000 0.252 893 K C -0.481 176.343 176.600 0.373 0.000 1.015 893 K CA -0.901 55.494 56.287 0.179 0.000 0.860 893 K CB 0.944 33.487 32.500 0.071 0.000 1.359 893 K HN 0.339 nan 8.250 nan 0.000 0.452 894 S N 1.184 117.069 115.700 0.309 0.000 2.533 894 S HA 0.070 4.539 4.470 -0.000 0.000 0.282 894 S C 1.476 176.342 174.600 0.443 0.000 1.304 894 S CA -0.737 57.665 58.200 0.338 0.000 1.063 894 S CB 0.079 63.359 63.200 0.134 0.000 0.881 894 S HN 0.653 nan 8.310 nan 0.000 0.493 895 L N 2.176 123.599 121.223 0.333 0.000 2.054 895 L HA -0.320 4.019 4.340 -0.000 0.000 0.220 895 L C 2.516 179.464 176.870 0.130 0.000 1.081 895 L CA 2.359 57.178 54.840 -0.035 0.000 0.780 895 L CB -1.065 40.804 42.059 -0.317 0.000 0.893 895 L HN 0.951 nan 8.230 nan 0.000 0.438 896 N N -0.959 117.827 118.700 0.143 0.000 2.550 896 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 896 N C 1.125 176.839 175.510 0.339 0.000 1.110 896 N CA 1.270 54.446 53.050 0.211 0.000 0.912 896 N CB -0.248 38.297 38.487 0.096 0.000 0.968 896 N HN 0.405 nan 8.380 nan 0.000 0.448 897 T N -5.138 109.603 114.554 0.312 0.000 3.054 897 T HA 0.174 4.523 4.350 -0.000 0.000 0.255 897 T C -0.102 174.729 174.700 0.218 0.000 1.035 897 T CA -0.578 61.661 62.100 0.231 0.000 0.941 897 T CB -0.521 68.436 68.868 0.149 0.000 1.026 897 T HN 0.010 nan 8.240 nan 0.000 0.533 898 Y N 3.753 124.111 120.300 0.097 0.000 2.578 898 Y HA 0.393 4.943 4.550 -0.000 0.000 0.339 898 Y C 1.512 177.455 175.900 0.071 0.000 1.231 898 Y CA -0.121 58.029 58.100 0.083 0.000 1.461 898 Y CB 0.510 39.016 38.460 0.077 0.000 1.323 898 Y HN 0.313 nan 8.280 nan 0.000 0.590 899 T N -2.497 112.156 114.554 0.165 0.000 2.883 899 T HA 0.288 4.637 4.350 -0.000 0.000 0.284 899 T C 0.312 175.058 174.700 0.077 0.000 1.041 899 T CA -0.911 61.248 62.100 0.099 0.000 1.007 899 T CB 1.323 70.206 68.868 0.026 0.000 1.220 899 T HN 0.399 nan 8.240 nan 0.000 0.552 900 D N 0.199 120.561 120.400 -0.065 0.000 2.378 900 D HA 0.007 4.647 4.640 -0.000 0.000 0.222 900 D C 1.525 177.690 176.300 -0.225 0.000 0.980 900 D CA 0.472 54.260 54.000 -0.353 0.000 0.907 900 D CB 0.048 40.317 40.800 -0.885 0.000 0.899 900 D HN 0.501 nan 8.370 nan 0.000 0.527 901 E N 0.554 120.705 120.200 -0.082 0.000 2.427 901 E HA -0.028 4.321 4.350 -0.000 0.000 0.196 901 E C -0.013 176.601 176.600 0.023 0.000 1.028 901 E CA 0.381 56.765 56.400 -0.026 0.000 0.864 901 E CB 0.015 29.698 29.700 -0.029 0.000 0.813 901 E HN 0.317 nan 8.360 nan 0.000 0.514 902 D N 2.401 122.836 120.400 0.057 0.000 2.365 902 D HA 0.145 4.784 4.640 -0.000 0.000 0.237 902 D C -2.403 174.012 176.300 0.191 0.000 1.190 902 D CA -1.798 52.246 54.000 0.074 0.000 0.867 902 D CB 0.983 41.810 40.800 0.046 0.000 1.050 902 D HN -0.122 nan 8.370 nan 0.000 0.491 903 P HA -0.100 nan 4.420 nan 0.000 0.259 903 P C -0.223 177.276 177.300 0.333 0.000 1.163 903 P CA -0.106 63.062 63.100 0.114 0.000 0.760 903 P CB 0.390 31.672 31.700 -0.698 0.000 0.762 904 L N 6.386 127.892 121.223 0.472 0.000 2.264 904 L HA 0.412 4.751 4.340 -0.000 0.000 0.289 904 L C -0.900 176.186 176.870 0.360 0.000 1.044 904 L CA -0.135 54.865 54.840 0.268 0.000 0.807 904 L CB 1.113 43.174 42.059 0.002 0.000 1.192 904 L HN 0.059 nan 8.230 nan 0.000 0.425 905 V N 6.206 126.241 119.914 0.201 0.000 2.483 905 V HA 0.373 4.492 4.120 -0.000 0.000 0.297 905 V C -0.668 175.472 176.094 0.077 0.000 1.027 905 V CA -0.396 62.123 62.300 0.364 0.000 0.855 905 V CB 1.431 33.609 31.823 0.593 0.000 0.995 905 V HN 0.489 nan 8.190 nan 0.000 0.424 906 F N 2.752 122.922 119.950 0.367 0.000 2.368 906 F HA 0.353 4.879 4.527 -0.001 0.000 0.362 906 F C 0.858 176.736 175.800 0.130 0.000 1.137 906 F CA -0.197 57.962 58.000 0.265 0.000 1.161 906 F CB 0.699 39.927 39.000 0.380 0.000 1.265 906 F HN 0.495 nan 8.300 nan 0.000 0.530 907 E N 3.555 123.852 120.200 0.162 0.000 1.996 907 E HA 0.264 4.614 4.350 -0.000 0.000 0.280 907 E C -0.878 175.685 176.600 -0.061 0.000 1.092 907 E CA -0.413 55.966 56.400 -0.036 0.000 0.862 907 E CB 0.719 30.393 29.700 -0.044 0.000 1.066 907 E HN 0.326 nan 8.360 nan 0.000 0.396 908 V N 6.096 125.945 119.914 -0.109 0.000 2.432 908 V HA 0.170 4.290 4.120 -0.000 0.000 0.271 908 V C 0.137 176.114 176.094 -0.195 0.000 1.046 908 V CA -0.114 62.148 62.300 -0.063 0.000 0.945 908 V CB -0.050 31.745 31.823 -0.046 0.000 0.992 908 V HN 0.538 nan 8.190 nan 0.000 0.471 909 F N 5.196 125.086 119.950 -0.099 0.000 2.364 909 F HA 0.491 5.018 4.527 -0.000 0.000 0.316 909 F C -1.689 174.001 175.800 -0.184 0.000 1.133 909 F CA -2.154 55.744 58.000 -0.169 0.000 1.051 909 F CB 0.497 39.385 39.000 -0.186 0.000 1.342 909 F HN 0.310 nan 8.300 nan 0.000 0.507 910 P HA 0.037 nan 4.420 nan 0.000 0.267 910 P C -0.750 176.564 177.300 0.023 0.000 1.200 910 P CA 0.200 63.247 63.100 -0.088 0.000 0.772 910 P CB 0.310 31.883 31.700 -0.211 0.000 0.855 911 L N 1.804 123.038 121.223 0.018 0.000 2.417 911 L HA 0.357 4.696 4.340 -0.000 0.000 0.268 911 L C 1.331 178.215 176.870 0.024 0.000 1.158 911 L CA -0.218 54.630 54.840 0.013 0.000 0.819 911 L CB 0.224 42.279 42.059 -0.008 0.000 1.112 911 L HN 0.440 nan 8.230 nan 0.000 0.458 912 G N 1.694 110.495 108.800 0.001 0.000 2.404 912 G HA2 0.174 4.134 3.960 -0.000 0.000 0.316 912 G HA3 0.174 4.134 3.960 -0.000 0.000 0.316 912 G C 0.242 175.127 174.900 -0.024 0.000 1.074 912 G CA -0.354 44.736 45.100 -0.016 0.000 0.989 912 G HN 0.853 nan 8.290 nan 0.000 0.430 913 N N 2.980 121.669 118.700 -0.017 0.000 2.725 913 N HA -0.223 4.517 4.740 -0.000 0.000 0.251 913 N C 0.146 175.643 175.510 -0.022 0.000 1.031 913 N CA 0.975 54.014 53.050 -0.019 0.000 0.720 913 N CB -0.783 37.689 38.487 -0.025 0.000 0.930 913 N HN 0.838 nan 8.380 nan 0.000 0.543 914 N N -2.477 116.212 118.700 -0.017 0.000 2.782 914 N HA -0.228 4.512 4.740 -0.000 0.000 0.251 914 N C 0.132 175.622 175.510 -0.033 0.000 1.101 914 N CA 1.677 54.714 53.050 -0.022 0.000 0.764 914 N CB -0.726 37.749 38.487 -0.020 0.000 1.122 914 N HN 0.772 nan 8.380 nan 0.000 0.561 915 R N 0.365 120.842 120.500 -0.039 0.000 2.795 915 R HA 0.835 5.175 4.340 -0.000 0.000 0.275 915 R C -1.505 174.758 176.300 -0.060 0.000 0.981 915 R CA -0.084 55.981 56.100 -0.058 0.000 0.917 915 R CB 1.810 32.071 30.300 -0.065 0.000 1.202 915 R HN 0.134 nan 8.270 nan 0.000 0.469 916 A N 2.315 125.082 122.820 -0.088 0.000 2.589 916 A HA 0.567 4.887 4.320 -0.000 0.000 0.296 916 A C -1.920 175.560 177.584 -0.173 0.000 1.062 916 A CA -0.785 51.197 52.037 -0.092 0.000 0.686 916 A CB 1.746 20.720 19.000 -0.044 0.000 1.282 916 A HN 0.755 nan 8.150 nan 0.000 0.404 917 D N -0.096 120.164 120.400 -0.233 0.000 2.732 917 D HA 0.647 5.286 4.640 -0.000 0.000 0.229 917 D C -0.321 175.859 176.300 -0.200 0.000 1.152 917 D CA -0.105 53.659 54.000 -0.393 0.000 0.854 917 D CB 2.546 42.760 40.800 -0.977 0.000 1.590 917 D HN 0.928 nan 8.370 nan 0.000 0.468 918 G N 0.054 108.766 108.800 -0.146 0.000 2.695 918 G HA2 0.671 4.631 3.960 -0.000 0.000 0.290 918 G HA3 0.671 4.631 3.960 -0.000 0.000 0.290 918 G C -1.514 173.402 174.900 0.027 0.000 1.410 918 G CA -0.651 44.453 45.100 0.006 0.000 0.844 918 G HN 0.406 nan 8.290 nan 0.000 0.478 919 M N 0.331 119.999 119.600 0.112 0.000 2.325 919 M HA 0.574 5.054 4.480 -0.000 0.000 0.285 919 M C -2.161 174.245 176.300 0.177 0.000 1.119 919 M CA -0.537 54.842 55.300 0.131 0.000 0.959 919 M CB 1.827 34.517 32.600 0.149 0.000 1.737 919 M HN 0.744 nan 8.290 nan 0.000 0.486 920 C N 4.611 124.032 119.300 0.201 0.000 2.446 920 C HA 0.564 5.024 4.460 -0.000 0.000 0.329 920 C C -1.444 173.633 174.990 0.146 0.000 1.166 920 C CA -0.473 58.663 59.018 0.197 0.000 1.341 920 C CB 1.072 28.989 27.740 0.295 0.000 1.970 920 C HN 0.891 nan 8.230 nan 0.000 0.452 921 Y N 6.569 126.847 120.300 -0.036 0.000 2.350 921 Y HA 0.712 5.261 4.550 -0.000 0.000 0.340 921 Y C -0.879 174.993 175.900 -0.047 0.000 1.006 921 Y CA -0.204 57.788 58.100 -0.180 0.000 1.166 921 Y CB 0.464 38.658 38.460 -0.444 0.000 1.168 921 Y HN 0.641 nan 8.280 nan 0.000 0.502 922 L N 6.943 127.821 121.223 -0.575 0.000 2.362 922 L HA 0.581 4.921 4.340 -0.000 0.000 0.271 922 L C -0.923 175.506 176.870 -0.736 0.000 1.002 922 L CA -0.802 53.801 54.840 -0.395 0.000 0.818 922 L CB 1.907 43.977 42.059 0.018 0.000 1.298 922 L HN 0.790 nan 8.230 nan 0.000 0.420 923 D N -0.362 119.611 120.400 -0.712 0.000 2.838 923 D HA 0.081 4.720 4.640 -0.000 0.000 0.334 923 D C -0.424 175.286 176.300 -0.984 0.000 1.315 923 D CA -0.495 52.992 54.000 -0.855 0.000 0.917 923 D CB 0.589 41.203 40.800 -0.309 0.000 1.435 923 D HN 0.483 nan 8.370 nan 0.000 0.517 924 D N -1.174 118.870 120.400 -0.593 0.000 2.336 924 D HA 0.203 4.842 4.640 -0.000 0.000 0.229 924 D C 1.558 177.823 176.300 -0.058 0.000 1.061 924 D CA 0.799 54.639 54.000 -0.266 0.000 0.875 924 D CB -0.447 40.356 40.800 0.004 0.000 0.904 924 D HN 0.964 nan 8.370 nan 0.000 0.525 925 G N -0.541 108.233 108.800 -0.043 0.000 2.179 925 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.260 925 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.260 925 G C 1.096 176.014 174.900 0.029 0.000 0.977 925 G CA 0.313 45.399 45.100 -0.022 0.000 0.641 925 G HN 1.449 nan 8.290 nan 0.000 0.533 926 G N -2.321 106.535 108.800 0.094 0.000 2.138 926 G HA2 -0.024 3.935 3.960 -0.000 0.000 0.193 926 G HA3 -0.024 3.935 3.960 -0.000 0.000 0.193 926 G C 1.125 176.187 174.900 0.270 0.000 0.998 926 G CA 0.903 46.065 45.100 0.104 0.000 0.668 926 G HN 1.390 nan 8.290 nan 0.000 0.516 927 V N 0.838 120.907 119.914 0.259 0.000 2.295 927 V HA 0.035 4.155 4.120 -0.000 0.000 0.246 927 V C 2.074 178.195 176.094 0.045 0.000 1.049 927 V CA 2.738 65.098 62.300 0.100 0.000 1.024 927 V CB -0.702 31.114 31.823 -0.011 0.000 0.648 927 V HN 1.093 nan 8.190 nan 0.000 0.447 928 T N -2.529 112.056 114.554 0.052 0.000 2.938 928 T HA 0.385 4.735 4.350 -0.000 0.000 0.285 928 T C 0.425 175.152 174.700 0.045 0.000 1.028 928 T CA 0.213 62.335 62.100 0.036 0.000 1.005 928 T CB 1.720 70.607 68.868 0.031 0.000 1.157 928 T HN 0.298 nan 8.240 nan 0.000 0.550 929 T N -1.666 112.907 114.554 0.032 0.000 3.243 929 T HA 0.277 4.627 4.350 -0.000 0.000 0.264 929 T C 0.846 175.573 174.700 0.045 0.000 1.000 929 T CA -0.515 61.604 62.100 0.031 0.000 0.901 929 T CB -1.079 67.796 68.868 0.011 0.000 1.083 929 T HN 0.668 nan 8.240 nan 0.000 0.559 930 N N 1.167 119.901 118.700 0.058 0.000 2.396 930 N HA 0.077 4.817 4.740 -0.000 0.000 0.180 930 N C 2.180 177.760 175.510 0.117 0.000 1.028 930 N CA 0.720 53.812 53.050 0.070 0.000 0.893 930 N CB -0.105 38.420 38.487 0.063 0.000 0.967 930 N HN 0.545 nan 8.380 nan 0.000 0.440 931 A N 2.175 125.085 122.820 0.150 0.000 1.858 931 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 931 A C 2.120 179.858 177.584 0.256 0.000 1.190 931 A CA 1.480 53.689 52.037 0.286 0.000 0.617 931 A CB -0.382 18.772 19.000 0.256 0.000 0.827 931 A HN 0.424 nan 8.150 nan 0.000 0.443 932 E N -0.465 119.803 120.200 0.112 0.000 2.299 932 E HA -0.131 4.218 4.350 -0.000 0.000 0.193 932 E C 0.346 176.976 176.600 0.051 0.000 0.998 932 E CA 1.209 57.644 56.400 0.058 0.000 0.851 932 E CB -0.358 29.335 29.700 -0.011 0.000 0.795 932 E HN 0.538 nan 8.360 nan 0.000 0.492 933 D N 0.769 121.199 120.400 0.050 0.000 2.327 933 D HA 0.040 4.680 4.640 -0.000 0.000 0.205 933 D C 0.508 176.829 176.300 0.036 0.000 0.989 933 D CA 0.527 54.544 54.000 0.028 0.000 0.873 933 D CB 0.127 40.937 40.800 0.017 0.000 0.955 933 D HN 0.313 nan 8.370 nan 0.000 0.515 934 N N -1.385 117.351 118.700 0.060 0.000 2.036 934 N HA 0.231 4.970 4.740 -0.000 0.000 0.228 934 N C 0.715 176.248 175.510 0.037 0.000 1.368 934 N CA 0.326 53.400 53.050 0.040 0.000 0.846 934 N CB 2.167 40.670 38.487 0.027 0.000 1.145 934 N HN 0.024 nan 8.380 nan 0.000 0.502 935 G N 1.440 110.300 108.800 0.101 0.000 2.143 935 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.248 935 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.248 935 G C 0.210 175.029 174.900 -0.136 0.000 0.991 935 G CA 0.090 45.203 45.100 0.022 0.000 0.689 935 G HN 0.105 nan 8.290 nan 0.000 0.522 936 K N 0.619 121.054 120.400 0.058 0.000 2.449 936 K HA 0.520 4.840 4.320 -0.000 0.000 0.237 936 K C 0.251 176.928 176.600 0.129 0.000 1.265 936 K CA -0.197 56.111 56.287 0.035 0.000 1.193 936 K CB -1.000 31.544 32.500 0.073 0.000 1.515 936 K HN 0.600 nan 8.250 nan 0.000 0.259 937 F N -3.062 116.863 119.950 -0.042 0.000 2.692 937 F HA 0.707 5.234 4.527 -0.000 0.000 0.320 937 F C -0.600 175.092 175.800 -0.180 0.000 1.123 937 F CA -1.221 56.681 58.000 -0.163 0.000 0.961 937 F CB 1.242 40.112 39.000 -0.217 0.000 1.383 937 F HN -0.215 nan 8.300 nan 0.000 0.483 938 S N 0.746 116.423 115.700 -0.039 0.000 2.571 938 S HA 0.642 5.112 4.470 -0.000 0.000 0.284 938 S C -1.487 173.134 174.600 0.035 0.000 1.128 938 S CA -0.705 57.479 58.200 -0.027 0.000 0.970 938 S CB 1.859 65.009 63.200 -0.084 0.000 1.039 938 S HN 0.597 nan 8.310 nan 0.000 0.485 939 V N 3.806 123.792 119.914 0.120 0.000 2.313 939 V HA 0.395 4.515 4.120 -0.000 0.000 0.278 939 V C -0.355 175.818 176.094 0.132 0.000 1.017 939 V CA -0.537 61.830 62.300 0.112 0.000 0.823 939 V CB 1.243 33.166 31.823 0.166 0.000 1.010 939 V HN 0.702 nan 8.190 nan 0.000 0.443 940 V N 6.107 126.094 119.914 0.122 0.000 2.427 940 V HA 0.495 4.615 4.120 -0.000 0.000 0.286 940 V C 0.197 176.312 176.094 0.034 0.000 1.034 940 V CA -0.734 61.613 62.300 0.078 0.000 0.893 940 V CB 1.631 33.505 31.823 0.085 0.000 0.982 940 V HN 0.766 nan 8.190 nan 0.000 0.452 941 K N 2.848 123.221 120.400 -0.046 0.000 2.281 941 K HA 0.861 5.181 4.320 -0.000 0.000 0.242 941 K C -1.216 175.186 176.600 -0.330 0.000 0.971 941 K CA -0.742 55.475 56.287 -0.116 0.000 0.834 941 K CB 2.762 35.226 32.500 -0.060 0.000 1.181 941 K HN 0.431 nan 8.250 nan 0.000 0.435 942 V N -0.452 119.210 119.914 -0.420 0.000 3.159 942 V HA 0.886 5.005 4.120 -0.000 0.000 0.308 942 V C -1.970 173.874 176.094 -0.416 0.000 1.190 942 V CA -0.478 61.398 62.300 -0.707 0.000 1.037 942 V CB 2.147 33.214 31.823 -1.260 0.000 1.060 942 V HN 0.973 nan 8.190 nan 0.000 0.437 943 A N 3.044 125.640 122.820 -0.374 0.000 2.555 943 A HA 0.978 5.298 4.320 -0.000 0.000 0.297 943 A C -0.861 176.618 177.584 -0.175 0.000 1.060 943 A CA -0.049 51.846 52.037 -0.236 0.000 0.710 943 A CB 1.506 20.392 19.000 -0.190 0.000 1.282 943 A HN 2.310 nan 8.150 nan 0.000 0.399 944 A N 1.601 124.342 122.820 -0.131 0.000 2.343 944 A HA 0.811 5.131 4.320 -0.000 0.000 0.316 944 A C -0.660 176.883 177.584 -0.070 0.000 1.104 944 A CA -0.329 51.657 52.037 -0.085 0.000 0.768 944 A CB 1.033 19.993 19.000 -0.067 0.000 1.213 944 A HN 0.747 nan 8.150 nan 0.000 0.456 945 E N 1.003 121.171 120.200 -0.053 0.000 2.224 945 E HA 0.389 4.738 4.350 -0.000 0.000 0.265 945 E C -0.983 175.597 176.600 -0.033 0.000 0.878 945 E CA -0.617 55.757 56.400 -0.043 0.000 0.759 945 E CB 1.899 31.574 29.700 -0.041 0.000 1.164 945 E HN 0.662 nan 8.360 nan 0.000 0.414 946 Q N 2.132 121.915 119.800 -0.030 0.000 2.230 946 Q HA 0.326 4.666 4.340 -0.000 0.000 0.248 946 Q C -1.463 174.524 176.000 -0.021 0.000 0.915 946 Q CA -0.098 55.690 55.803 -0.024 0.000 0.900 946 Q CB 1.054 29.780 28.738 -0.021 0.000 1.229 946 Q HN 0.337 nan 8.270 nan 0.000 0.439 947 D N 2.506 122.895 120.400 -0.019 0.000 2.251 947 D HA 0.377 5.017 4.640 -0.000 0.000 0.210 947 D C 0.110 176.401 176.300 -0.015 0.000 1.304 947 D CA 0.925 54.915 54.000 -0.017 0.000 0.912 947 D CB -0.012 40.777 40.800 -0.018 0.000 1.553 947 D HN 0.690 nan 8.370 nan 0.000 0.526 948 G N 2.831 111.623 108.800 -0.013 0.000 2.574 948 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.286 948 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.286 948 G C 0.875 175.767 174.900 -0.013 0.000 1.212 948 G CA 0.320 45.413 45.100 -0.012 0.000 0.979 948 G HN 1.122 nan 8.290 nan 0.000 0.557 949 G N -0.168 108.623 108.800 -0.014 0.000 3.440 949 G HA2 0.492 4.451 3.960 -0.000 0.000 0.263 949 G HA3 0.492 4.451 3.960 -0.000 0.000 0.263 949 G C 0.223 175.111 174.900 -0.020 0.000 1.236 949 G CA 1.297 46.387 45.100 -0.016 0.000 0.927 949 G HN 1.087 nan 8.290 nan 0.000 0.530 950 T N 0.047 114.589 114.554 -0.020 0.000 2.949 950 T HA 0.333 4.682 4.350 -0.000 0.000 0.300 950 T C -0.974 173.713 174.700 -0.021 0.000 0.988 950 T CA -0.540 61.548 62.100 -0.020 0.000 0.993 950 T CB 2.435 71.293 68.868 -0.018 0.000 0.984 950 T HN 0.212 nan 8.240 nan 0.000 0.442 951 E N 2.284 122.470 120.200 -0.024 0.000 2.134 951 E HA 0.405 4.755 4.350 -0.000 0.000 0.278 951 E C -0.705 175.886 176.600 -0.014 0.000 0.959 951 E CA -0.475 55.911 56.400 -0.023 0.000 0.783 951 E CB 0.767 30.449 29.700 -0.030 0.000 1.095 951 E HN 0.427 nan 8.360 nan 0.000 0.399 952 T N 5.141 119.687 114.554 -0.014 0.000 2.749 952 T HA 0.406 4.756 4.350 -0.000 0.000 0.287 952 T C -0.099 174.596 174.700 -0.009 0.000 0.970 952 T CA -0.377 61.721 62.100 -0.003 0.000 0.980 952 T CB 0.259 69.123 68.868 -0.005 0.000 0.924 952 T HN 0.359 nan 8.240 nan 0.000 0.456 953 I N 3.496 124.076 120.570 0.017 0.000 2.330 953 I HA 0.309 4.479 4.170 -0.000 0.000 0.289 953 I C 0.282 176.430 176.117 0.052 0.000 1.001 953 I CA -0.391 60.918 61.300 0.014 0.000 1.193 953 I CB 1.468 39.509 38.000 0.069 0.000 1.345 953 I HN 0.510 nan 8.210 nan 0.000 0.461 954 T N 5.945 120.478 114.554 -0.036 0.000 2.807 954 T HA 0.538 4.887 4.350 -0.000 0.000 0.279 954 T C -0.589 174.043 174.700 -0.113 0.000 0.993 954 T CA -0.409 61.689 62.100 -0.005 0.000 0.970 954 T CB 0.856 69.703 68.868 -0.035 0.000 0.950 954 T HN 0.082 nan 8.240 nan 0.000 0.441 955 F N 2.533 122.417 119.950 -0.110 0.000 2.436 955 F HA 0.587 5.113 4.527 -0.000 0.000 0.340 955 F C 1.063 176.769 175.800 -0.157 0.000 1.113 955 F CA -0.417 57.475 58.000 -0.179 0.000 1.022 955 F CB 1.892 40.757 39.000 -0.226 0.000 1.128 955 F HN 0.623 nan 8.300 nan 0.000 0.466 956 T N -0.072 114.467 114.554 -0.026 0.000 2.838 956 T HA 0.634 4.984 4.350 -0.000 0.000 0.292 956 T C -1.217 173.463 174.700 -0.033 0.000 1.113 956 T CA -1.216 60.865 62.100 -0.032 0.000 1.008 956 T CB 2.035 70.881 68.868 -0.037 0.000 1.259 956 T HN 0.593 nan 8.240 nan 0.000 0.520 957 N N -1.049 117.640 118.700 -0.018 0.000 2.310 957 N HA 0.461 5.201 4.740 -0.000 0.000 0.292 957 N C -0.622 174.921 175.510 0.055 0.000 1.049 957 N CA -0.823 52.242 53.050 0.025 0.000 0.849 957 N CB 1.809 40.311 38.487 0.024 0.000 1.532 957 N HN 0.365 nan 8.380 nan 0.000 0.479 958 D N 0.169 120.624 120.400 0.091 0.000 2.194 958 D HA 0.050 4.690 4.640 -0.000 0.000 0.204 958 D C 0.391 176.743 176.300 0.086 0.000 0.964 958 D CA 0.859 54.924 54.000 0.107 0.000 0.846 958 D CB -0.137 40.766 40.800 0.171 0.000 0.962 958 D HN 0.741 nan 8.370 nan 0.000 0.490 959 C N -2.430 116.916 119.300 0.077 0.000 3.311 959 C HA 0.667 5.126 4.460 -0.000 0.000 0.325 959 C C -1.323 173.729 174.990 0.103 0.000 1.352 959 C CA -1.270 57.762 59.018 0.024 0.000 1.308 959 C CB 0.688 28.359 27.740 -0.116 0.000 1.619 959 C HN 0.171 nan 8.230 nan 0.000 0.469 960 Y N 0.489 120.735 120.300 -0.090 0.000 2.520 960 Y HA 0.508 5.057 4.550 -0.001 0.000 0.339 960 Y C 0.518 176.371 175.900 -0.079 0.000 1.113 960 Y CA -0.018 58.041 58.100 -0.068 0.000 1.255 960 Y CB 0.660 39.092 38.460 -0.046 0.000 1.099 960 Y HN 0.943 nan 8.280 nan 0.000 0.628 961 E N 1.825 121.841 120.200 -0.307 0.000 2.539 961 E HA 0.132 4.482 4.350 -0.000 0.000 0.215 961 E C -1.267 175.202 176.600 -0.217 0.000 0.965 961 E CA 0.069 56.321 56.400 -0.246 0.000 1.019 961 E CB 0.521 30.072 29.700 -0.249 0.000 1.059 961 E HN 0.428 nan 8.360 nan 0.000 0.496 962 Y N 0.385 120.435 120.300 -0.416 0.000 2.331 962 Y HA 0.466 5.016 4.550 -0.000 0.000 0.338 962 Y C -0.989 174.603 175.900 -0.514 0.000 0.976 962 Y CA -1.282 56.619 58.100 -0.331 0.000 1.137 962 Y CB 0.994 39.326 38.460 -0.214 0.000 1.172 962 Y HN -0.309 nan 8.280 nan 0.000 0.478 963 V N 8.369 127.651 119.914 -1.053 0.000 2.408 963 V HA 0.073 4.192 4.120 -0.000 0.000 0.267 963 V C -0.225 175.393 176.094 -0.792 0.000 1.047 963 V CA -0.517 61.330 62.300 -0.755 0.000 0.937 963 V CB -0.092 31.502 31.823 -0.382 0.000 0.999 963 V HN 0.703 nan 8.190 nan 0.000 0.472 964 F N 4.375 124.101 119.950 -0.373 0.000 2.471 964 F HA 0.480 5.007 4.527 -0.000 0.000 0.365 964 F C 1.392 177.175 175.800 -0.028 0.000 1.095 964 F CA -0.172 57.786 58.000 -0.071 0.000 1.174 964 F CB 1.137 40.243 39.000 0.177 0.000 1.105 964 F HN 0.557 nan 8.300 nan 0.000 0.535 965 G N 4.011 112.535 108.800 -0.460 0.000 2.598 965 G HA2 0.220 4.179 3.960 -0.000 0.000 0.215 965 G HA3 0.220 4.179 3.960 -0.000 0.000 0.215 965 G C 0.579 175.322 174.900 -0.261 0.000 1.131 965 G CA 0.501 45.419 45.100 -0.303 0.000 0.785 965 G HN 0.948 nan 8.290 nan 0.000 0.539 966 G N -0.515 108.020 108.800 -0.442 0.000 2.630 966 G HA2 0.654 4.614 3.960 -0.000 0.000 0.296 966 G HA3 0.654 4.614 3.960 -0.000 0.000 0.296 966 G C -2.928 172.092 174.900 0.200 0.000 1.285 966 G CA -1.354 43.662 45.100 -0.139 0.000 0.958 966 G HN -0.048 nan 8.290 nan 0.000 0.479 967 P HA 0.321 nan 4.420 nan 0.000 0.270 967 P C -1.046 176.422 177.300 0.280 0.000 1.223 967 P CA -0.065 63.115 63.100 0.133 0.000 0.785 967 P CB 0.797 32.449 31.700 -0.080 0.000 0.923 968 F N -0.310 119.604 119.950 -0.059 0.000 2.620 968 F HA 0.739 5.266 4.527 -0.001 0.000 0.320 968 F C -1.355 174.348 175.800 -0.161 0.000 1.069 968 F CA -1.558 56.474 58.000 0.053 0.000 0.953 968 F CB 0.917 40.038 39.000 0.202 0.000 1.322 968 F HN 0.196 nan 8.300 nan 0.000 0.479 969 Y N 0.155 120.656 120.300 0.335 0.000 2.570 969 Y HA 0.736 5.286 4.550 -0.001 0.000 0.345 969 Y C -0.891 175.255 175.900 0.410 0.000 1.014 969 Y CA -1.486 56.783 58.100 0.282 0.000 1.063 969 Y CB 2.310 41.073 38.460 0.505 0.000 1.272 969 Y HN 0.539 nan 8.280 nan 0.000 0.477 970 V N 2.560 122.732 119.914 0.430 0.000 2.444 970 V HA 0.466 4.585 4.120 -0.000 0.000 0.294 970 V C -0.667 175.507 176.094 0.135 0.000 1.022 970 V CA -0.962 61.549 62.300 0.352 0.000 0.850 970 V CB 1.628 33.628 31.823 0.294 0.000 0.992 970 V HN 0.681 nan 8.190 nan 0.000 0.426 971 R N 4.120 124.582 120.500 -0.064 0.000 2.275 971 R HA 0.592 4.932 4.340 -0.000 0.000 0.326 971 R C -1.445 174.667 176.300 -0.314 0.000 0.973 971 R CA -0.387 55.435 56.100 -0.464 0.000 0.854 971 R CB 1.541 31.283 30.300 -0.931 0.000 1.156 971 R HN 0.547 nan 8.270 nan 0.000 0.487 972 V N 6.304 126.068 119.914 -0.250 0.000 2.353 972 V HA 0.285 4.405 4.120 -0.000 0.000 0.264 972 V C 0.672 176.627 176.094 -0.231 0.000 1.049 972 V CA -0.689 61.496 62.300 -0.191 0.000 0.896 972 V CB 0.772 32.526 31.823 -0.114 0.000 1.025 972 V HN 0.625 nan 8.190 nan 0.000 0.475 973 R N 3.266 123.603 120.500 -0.272 0.000 2.623 973 R HA 0.233 4.572 4.340 -0.000 0.000 0.271 973 R C 1.452 177.661 176.300 -0.152 0.000 1.043 973 R CA 0.866 56.824 56.100 -0.236 0.000 1.083 973 R CB 0.211 30.316 30.300 -0.325 0.000 0.974 973 R HN 1.124 nan 8.270 nan 0.000 0.436 974 G N 0.255 108.994 108.800 -0.103 0.000 2.168 974 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.263 974 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.263 974 G C 0.025 174.890 174.900 -0.059 0.000 0.977 974 G CA 0.470 45.533 45.100 -0.063 0.000 0.659 974 G HN 0.871 nan 8.290 nan 0.000 0.533 975 A N -0.785 121.987 122.820 -0.080 0.000 2.350 975 A HA 0.877 5.197 4.320 -0.000 0.000 0.324 975 A C 0.241 177.778 177.584 -0.078 0.000 1.118 975 A CA -0.262 51.730 52.037 -0.076 0.000 0.783 975 A CB 1.502 20.449 19.000 -0.088 0.000 1.236 975 A HN 0.182 nan 8.150 nan 0.000 0.457 976 Q N 0.139 119.898 119.800 -0.067 0.000 3.104 976 Q HA 0.388 4.728 4.340 -0.000 0.000 0.202 976 Q C 0.251 176.212 176.000 -0.065 0.000 1.152 976 Q CA -0.447 55.319 55.803 -0.061 0.000 0.457 976 Q CB 0.102 28.816 28.738 -0.040 0.000 5.162 976 Q HN 0.689 nan 8.270 nan 0.000 0.306 977 S N 2.754 118.434 115.700 -0.033 0.000 2.498 977 S HA 0.230 4.699 4.470 -0.000 0.000 0.281 977 S C -2.028 172.527 174.600 -0.076 0.000 1.265 977 S CA -0.935 57.253 58.200 -0.019 0.000 1.071 977 S CB 0.114 63.342 63.200 0.047 0.000 0.894 977 S HN 0.173 nan 8.310 nan 0.000 0.491 978 P HA 0.359 nan 4.420 nan 0.000 0.278 978 P C 0.255 177.499 177.300 -0.094 0.000 1.266 978 P CA -0.562 62.425 63.100 -0.188 0.000 0.807 978 P CB 0.970 32.451 31.700 -0.365 0.000 1.094 979 S N -0.719 114.946 115.700 -0.059 0.000 2.425 979 S HA 0.035 4.504 4.470 -0.000 0.000 0.225 979 S C 0.760 175.366 174.600 0.010 0.000 1.024 979 S CA 0.418 58.613 58.200 -0.008 0.000 0.951 979 S CB -0.338 62.859 63.200 -0.005 0.000 0.796 979 S HN 0.654 nan 8.310 nan 0.000 0.498 980 N N -0.207 118.478 118.700 -0.025 0.000 3.049 980 N HA 0.218 4.957 4.740 -0.000 0.000 0.244 980 N C -2.260 173.235 175.510 -0.025 0.000 1.203 980 N CA -0.289 52.770 53.050 0.015 0.000 0.945 980 N CB 0.885 39.401 38.487 0.048 0.000 1.616 980 N HN 0.006 nan 8.380 nan 0.000 0.505 981 I N 2.138 122.717 120.570 0.015 0.000 2.447 981 I HA 0.245 4.415 4.170 -0.000 0.000 0.287 981 I C -0.815 175.364 176.117 0.103 0.000 1.023 981 I CA -0.644 60.667 61.300 0.018 0.000 1.083 981 I CB 1.768 39.737 38.000 -0.051 0.000 1.245 981 I HN 0.511 nan 8.210 nan 0.000 0.434 982 H N 5.309 124.386 119.070 0.011 0.000 2.459 982 H HA 0.658 5.214 4.556 -0.000 0.000 0.332 982 H C -1.364 173.974 175.328 0.018 0.000 1.094 982 H CA -0.391 55.668 56.048 0.019 0.000 1.224 982 H CB 1.675 31.445 29.762 0.013 0.000 1.449 982 H HN 0.289 nan 8.280 nan 0.000 0.484 983 V N 4.409 124.150 119.914 -0.288 0.000 2.444 983 V HA 0.278 4.398 4.120 -0.000 0.000 0.294 983 V C -0.248 175.722 176.094 -0.207 0.000 1.022 983 V CA -0.714 61.495 62.300 -0.151 0.000 0.850 983 V CB 1.372 33.129 31.823 -0.109 0.000 0.992 983 V HN 0.830 nan 8.190 nan 0.000 0.426 984 S N 3.838 119.517 115.700 -0.035 0.000 2.451 984 S HA 0.791 5.261 4.470 -0.000 0.000 0.301 984 S C -0.478 174.122 174.600 -0.000 0.000 1.116 984 S CA -0.259 57.945 58.200 0.007 0.000 1.093 984 S CB 1.362 64.624 63.200 0.103 0.000 1.017 984 S HN 0.906 nan 8.310 nan 0.000 0.482 985 S N 2.877 118.570 115.700 -0.012 0.000 2.543 985 S HA 0.526 4.996 4.470 -0.000 0.000 0.273 985 S C 1.150 175.741 174.600 -0.016 0.000 1.152 985 S CA -0.094 58.096 58.200 -0.017 0.000 0.910 985 S CB 0.703 63.885 63.200 -0.030 0.000 1.105 985 S HN 1.127 nan 8.310 nan 0.000 0.465 986 G N 3.277 112.067 108.800 -0.017 0.000 2.830 986 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.230 986 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.230 986 G C 0.759 175.653 174.900 -0.010 0.000 1.172 986 G CA 1.184 46.277 45.100 -0.012 0.000 0.764 986 G HN 1.532 nan 8.290 nan 0.000 0.640 987 A N -0.319 122.492 122.820 -0.014 0.000 2.969 987 A HA 0.650 4.970 4.320 -0.000 0.000 0.328 987 A C 0.570 178.144 177.584 -0.016 0.000 1.355 987 A CA 0.526 52.556 52.037 -0.012 0.000 1.018 987 A CB -0.351 18.643 19.000 -0.010 0.000 1.159 987 A HN 1.880 nan 8.150 nan 0.000 0.505 988 G N 0.251 109.040 108.800 -0.018 0.000 2.299 988 G HA2 0.191 4.150 3.960 -0.000 0.000 0.219 988 G HA3 0.191 4.150 3.960 -0.000 0.000 0.219 988 G C -0.361 174.512 174.900 -0.045 0.000 2.786 988 G CA -0.079 45.004 45.100 -0.028 0.000 1.025 988 G HN 0.823 nan 8.290 nan 0.000 0.582 989 S N 0.647 116.326 115.700 -0.035 0.000 2.523 989 S HA 0.757 5.227 4.470 -0.000 0.000 0.275 989 S C -0.047 174.488 174.600 -0.110 0.000 1.281 989 S CA -0.013 58.149 58.200 -0.063 0.000 1.050 989 S CB 1.386 64.604 63.200 0.030 0.000 0.937 989 S HN 0.854 nan 8.310 nan 0.000 0.492 990 Q N 3.028 122.666 119.800 -0.271 0.000 2.545 990 Q HA 0.198 4.538 4.340 -0.000 0.000 0.273 990 Q C -2.144 173.670 176.000 -0.311 0.000 0.975 990 Q CA -0.681 55.001 55.803 -0.202 0.000 0.876 990 Q CB 1.348 30.018 28.738 -0.113 0.000 1.472 990 Q HN 0.573 nan 8.270 nan 0.000 0.389 991 D N 2.513 122.849 120.400 -0.108 0.000 2.225 991 D HA 0.430 5.069 4.640 -0.000 0.000 0.249 991 D C 0.109 176.427 176.300 0.029 0.000 1.052 991 D CA -0.020 53.976 54.000 -0.007 0.000 0.909 991 D CB 0.992 41.854 40.800 0.104 0.000 1.186 991 D HN 0.442 nan 8.370 nan 0.000 0.431 992 M N 0.910 120.569 119.600 0.098 0.000 2.291 992 M HA 0.295 4.775 4.480 -0.000 0.000 0.324 992 M C 0.394 176.825 176.300 0.219 0.000 1.148 992 M CA -0.420 54.982 55.300 0.169 0.000 1.104 992 M CB 1.091 33.867 32.600 0.292 0.000 1.483 992 M HN 0.173 nan 8.290 nan 0.000 0.467 993 K N -0.066 120.383 120.400 0.082 0.000 2.385 993 K HA 0.612 4.932 4.320 -0.000 0.000 0.248 993 K C -0.957 175.292 176.600 -0.586 0.000 0.955 993 K CA -1.031 55.202 56.287 -0.089 0.000 0.816 993 K CB 2.004 34.463 32.500 -0.069 0.000 1.250 993 K HN 0.446 nan 8.250 nan 0.000 0.434 994 V N 1.847 121.259 119.914 -0.838 0.000 2.617 994 V HA -0.014 4.106 4.120 -0.000 0.000 0.304 994 V C -0.039 175.769 176.094 -0.476 0.000 1.040 994 V CA 0.413 62.073 62.300 -1.067 0.000 1.149 994 V CB 1.004 32.514 31.823 -0.522 0.000 0.914 994 V HN 0.902 nan 8.190 nan 0.000 0.487 995 S N 4.313 119.799 115.700 -0.356 0.000 2.565 995 S HA 0.168 4.638 4.470 -0.000 0.000 0.276 995 S C 1.132 175.673 174.600 -0.099 0.000 1.326 995 S CA 0.007 58.118 58.200 -0.148 0.000 1.045 995 S CB 1.061 64.230 63.200 -0.051 0.000 0.918 995 S HN 1.328 nan 8.310 nan 0.000 0.505 996 S N 3.414 119.060 115.700 -0.089 0.000 2.803 996 S HA 0.426 4.895 4.470 -0.000 0.000 0.228 996 S C 0.366 174.908 174.600 -0.096 0.000 0.953 996 S CA -0.262 57.893 58.200 -0.074 0.000 0.983 996 S CB -0.462 62.699 63.200 -0.064 0.000 0.784 996 S HN 0.870 nan 8.310 nan 0.000 0.498 997 A N 1.287 124.027 122.820 -0.134 0.000 2.312 997 A HA 0.653 4.973 4.320 -0.000 0.000 0.326 997 A C 0.908 178.293 177.584 -0.333 0.000 1.172 997 A CA -0.278 51.614 52.037 -0.241 0.000 0.821 997 A CB 0.968 19.787 19.000 -0.302 0.000 1.166 997 A HN 0.564 nan 8.150 nan 0.000 0.493 998 T N -1.918 112.409 114.554 -0.377 0.000 3.145 998 T HA 0.441 4.790 4.350 -0.000 0.000 0.281 998 T C 0.294 174.734 174.700 -0.435 0.000 1.003 998 T CA 0.489 62.425 62.100 -0.272 0.000 0.901 998 T CB -0.780 68.027 68.868 -0.101 0.000 1.112 998 T HN 1.503 nan 8.240 nan 0.000 0.535 999 S N -0.216 114.951 115.700 -0.888 0.000 2.638 999 S HA 0.526 4.996 4.470 -0.000 0.000 0.274 999 S C 0.638 174.241 174.600 -1.662 0.000 1.157 999 S CA -1.032 56.564 58.200 -1.007 0.000 0.826 999 S CB 2.141 65.022 63.200 -0.532 0.000 1.139 999 S HN 0.129 nan 8.310 nan 0.000 0.474 1000 R N 0.294 119.844 120.500 -1.583 0.000 2.092 1000 R HA -0.011 4.329 4.340 -0.000 0.000 0.231 1000 R C 2.087 177.541 176.300 -1.410 0.000 1.119 1000 R CA 1.622 56.747 56.100 -1.625 0.000 0.970 1000 R CB -0.963 28.549 30.300 -1.313 0.000 0.864 1000 R HN 0.815 nan 8.270 nan 0.000 0.440 1001 A N 0.660 122.933 122.820 -0.912 0.000 1.969 1001 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 1001 A C 2.289 179.624 177.584 -0.415 0.000 1.169 1001 A CA 1.452 53.149 52.037 -0.566 0.000 0.635 1001 A CB -0.503 18.290 19.000 -0.345 0.000 0.810 1001 A HN 0.521 nan 8.150 nan 0.000 0.445 1002 A N -0.442 122.082 122.820 -0.492 0.000 1.897 1002 A HA 0.044 4.363 4.320 -0.000 0.000 0.215 1002 A C 2.127 179.516 177.584 -0.325 0.000 1.181 1002 A CA 1.496 53.313 52.037 -0.367 0.000 0.620 1002 A CB -0.580 18.185 19.000 -0.392 0.000 0.821 1002 A HN 0.648 nan 8.150 nan 0.000 0.443 1003 L N -1.318 119.606 121.223 -0.499 0.000 2.017 1003 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 1003 L C 2.204 179.126 176.870 0.088 0.000 1.073 1003 L CA 1.922 56.609 54.840 -0.255 0.000 0.745 1003 L CB -0.525 41.315 42.059 -0.364 0.000 0.894 1003 L HN 0.319 nan 8.230 nan 0.000 0.432 1004 F N 0.357 120.203 119.950 -0.173 0.000 2.095 1004 F HA -0.221 4.306 4.527 -0.001 0.000 0.298 1004 F C 2.562 178.370 175.800 0.013 0.000 1.104 1004 F CA 1.449 59.427 58.000 -0.036 0.000 1.232 1004 F CB -1.281 37.624 39.000 -0.158 0.000 0.987 1004 F HN 0.313 nan 8.300 nan 0.000 0.475 1005 N N -0.584 118.198 118.700 0.136 0.000 2.368 1005 N HA -0.067 4.672 4.740 -0.000 0.000 0.178 1005 N C 0.731 176.253 175.510 0.019 0.000 1.021 1005 N CA 1.092 54.178 53.050 0.060 0.000 0.875 1005 N CB 0.073 38.566 38.487 0.011 0.000 1.020 1005 N HN 0.212 nan 8.380 nan 0.000 0.433 1006 D N -0.231 120.158 120.400 -0.018 0.000 2.441 1006 D HA 0.123 4.763 4.640 -0.000 0.000 0.210 1006 D C 0.842 177.124 176.300 -0.031 0.000 1.102 1006 D CA 0.085 54.063 54.000 -0.037 0.000 0.840 1006 D CB 0.422 41.178 40.800 -0.073 0.000 0.990 1006 D HN 0.037 nan 8.370 nan 0.000 0.505 1007 G N 0.667 109.461 108.800 -0.009 0.000 2.444 1007 G HA2 0.345 4.305 3.960 -0.000 0.000 0.268 1007 G HA3 0.345 4.305 3.960 -0.000 0.000 0.268 1007 G C -0.170 174.744 174.900 0.024 0.000 1.203 1007 G CA -0.342 44.761 45.100 0.005 0.000 0.835 1007 G HN -0.090 nan 8.290 nan 0.000 0.543 1008 E N 0.944 121.144 120.200 0.000 0.000 2.242 1008 E HA 0.117 4.466 4.350 -0.000 0.000 0.275 1008 E C -0.334 176.254 176.600 -0.020 0.000 1.002 1008 E CA -0.812 55.582 56.400 -0.011 0.000 0.841 1008 E CB 1.001 30.688 29.700 -0.022 0.000 1.109 1008 E HN 0.395 nan 8.360 nan 0.000 0.394 1009 N N 1.613 120.290 118.700 -0.038 0.000 2.315 1009 N HA -0.005 4.735 4.740 -0.000 0.000 0.270 1009 N C 0.740 176.218 175.510 -0.053 0.000 1.329 1009 N CA 1.226 54.235 53.050 -0.069 0.000 0.860 1009 N CB 0.612 39.060 38.487 -0.063 0.000 1.095 1009 N HN 0.884 nan 8.380 nan 0.000 0.487 1010 G N 1.286 110.054 108.800 -0.054 0.000 2.211 1010 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.201 1010 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.201 1010 G C -0.498 174.412 174.900 0.017 0.000 0.997 1010 G CA -0.445 44.642 45.100 -0.022 0.000 0.652 1010 G HN 0.538 nan 8.290 nan 0.000 0.500 1011 D N 0.636 121.047 120.400 0.017 0.000 2.210 1011 D HA 0.616 5.255 4.640 -0.000 0.000 0.249 1011 D C 0.337 176.725 176.300 0.147 0.000 1.062 1011 D CA -0.123 53.883 54.000 0.009 0.000 0.891 1011 D CB 0.809 41.611 40.800 0.003 0.000 1.186 1011 D HN 0.395 nan 8.370 nan 0.000 0.432 1012 F N -0.202 119.828 119.950 0.134 0.000 2.492 1012 F HA 0.716 5.243 4.527 -0.000 0.000 0.327 1012 F C -1.012 174.962 175.800 0.289 0.000 1.079 1012 F CA -1.426 56.696 58.000 0.204 0.000 0.967 1012 F CB 1.141 40.229 39.000 0.147 0.000 1.169 1012 F HN 0.241 nan 8.300 nan 0.000 0.472 1013 W N 5.254 126.786 121.300 0.386 0.000 2.538 1013 W HA 0.669 5.329 4.660 -0.000 0.000 0.322 1013 W C -2.032 174.696 176.519 0.348 0.000 1.028 1013 W CA -1.675 55.817 57.345 0.245 0.000 1.228 1013 W CB 1.612 31.107 29.460 0.058 0.000 1.356 1013 W HN 0.558 nan 8.180 nan 0.000 0.452 1014 V N 6.446 126.300 119.914 -0.100 0.000 2.488 1014 V HA 0.099 4.219 4.120 -0.000 0.000 0.277 1014 V C -0.348 175.203 176.094 -0.905 0.000 1.046 1014 V CA 0.009 62.140 62.300 -0.282 0.000 0.986 1014 V CB 1.137 32.941 31.823 -0.033 0.000 0.989 1014 V HN 0.450 nan 8.190 nan 0.000 0.475 1015 D N 3.806 123.737 120.400 -0.782 0.000 2.462 1015 D HA 0.268 4.907 4.640 -0.000 0.000 0.249 1015 D C 0.992 177.101 176.300 -0.318 0.000 1.117 1015 D CA -0.359 53.096 54.000 -0.909 0.000 0.900 1015 D CB 1.250 41.455 40.800 -0.992 0.000 1.039 1015 D HN 0.545 nan 8.370 nan 0.000 0.516 1016 Q N 1.844 121.527 119.800 -0.195 0.000 2.084 1016 Q HA -0.164 4.175 4.340 -0.000 0.000 0.202 1016 Q C 1.394 177.374 176.000 -0.034 0.000 0.978 1016 Q CA 0.826 56.584 55.803 -0.076 0.000 0.844 1016 Q CB 0.156 28.875 28.738 -0.032 0.000 0.898 1016 Q HN 0.639 nan 8.270 nan 0.000 0.426 1017 E N 0.772 120.962 120.200 -0.017 0.000 2.097 1017 E HA -0.191 4.158 4.350 -0.000 0.000 0.196 1017 E C 1.486 178.105 176.600 0.031 0.000 1.000 1017 E CA 1.864 58.276 56.400 0.019 0.000 0.804 1017 E CB 0.155 29.885 29.700 0.049 0.000 0.740 1017 E HN 0.436 nan 8.360 nan 0.000 0.454 1018 T N -2.463 112.114 114.554 0.038 0.000 3.085 1018 T HA 0.064 4.414 4.350 -0.000 0.000 0.264 1018 T C 0.076 174.804 174.700 0.047 0.000 1.019 1018 T CA 0.450 62.596 62.100 0.077 0.000 0.910 1018 T CB 0.135 69.093 68.868 0.150 0.000 1.059 1018 T HN 0.130 nan 8.240 nan 0.000 0.542 1019 D N 0.943 121.344 120.400 0.002 0.000 2.803 1019 D HA -0.156 4.484 4.640 -0.000 0.000 0.233 1019 D C -0.895 175.373 176.300 -0.053 0.000 1.182 1019 D CA 0.616 54.603 54.000 -0.023 0.000 0.726 1019 D CB -1.387 39.416 40.800 0.006 0.000 0.987 1019 D HN 0.536 nan 8.370 nan 0.000 0.412 1020 S N 0.228 115.878 115.700 -0.082 0.000 2.546 1020 S HA 0.678 5.147 4.470 -0.000 0.000 0.274 1020 S C -1.010 173.509 174.600 -0.134 0.000 1.121 1020 S CA -0.938 57.174 58.200 -0.147 0.000 0.887 1020 S CB 1.946 65.027 63.200 -0.198 0.000 1.094 1020 S HN 0.393 nan 8.310 nan 0.000 0.474 1021 L N 2.130 123.260 121.223 -0.155 0.000 2.296 1021 L HA 0.749 5.089 4.340 -0.000 0.000 0.286 1021 L C -1.992 174.870 176.870 -0.014 0.000 1.023 1021 L CA -0.136 54.680 54.840 -0.040 0.000 0.812 1021 L CB 0.475 42.493 42.059 -0.067 0.000 1.223 1021 L HN 0.724 nan 8.230 nan 0.000 0.421 1022 W N 5.818 127.175 121.300 0.096 0.000 2.520 1022 W HA 0.638 5.297 4.660 -0.000 0.000 0.323 1022 W C -1.187 175.525 176.519 0.322 0.000 1.062 1022 W CA -0.463 57.037 57.345 0.259 0.000 1.215 1022 W CB 1.418 31.116 29.460 0.398 0.000 1.340 1022 W HN 0.214 nan 8.180 nan 0.000 0.516 1023 L N 3.296 124.817 121.223 0.497 0.000 2.325 1023 L HA 0.386 4.726 4.340 -0.000 0.000 0.281 1023 L C -0.069 176.960 176.870 0.266 0.000 1.004 1023 L CA -1.126 53.917 54.840 0.339 0.000 0.823 1023 L CB 1.556 43.713 42.059 0.163 0.000 1.236 1023 L HN 0.285 nan 8.230 nan 0.000 0.415 1024 K N 4.067 124.565 120.400 0.164 0.000 2.211 1024 K HA 0.771 5.090 4.320 -0.000 0.000 0.275 1024 K C -1.391 175.031 176.600 -0.295 0.000 1.024 1024 K CA -0.345 55.841 56.287 -0.169 0.000 0.887 1024 K CB 0.649 33.142 32.500 -0.013 0.000 1.084 1024 K HN 0.533 nan 8.250 nan 0.000 0.463 1025 L N 5.595 126.473 121.223 -0.575 0.000 2.388 1025 L HA 0.536 4.875 4.340 -0.000 0.000 0.264 1025 L C -2.359 174.265 176.870 -0.410 0.000 0.998 1025 L CA -2.703 51.802 54.840 -0.558 0.000 0.817 1025 L CB 2.147 43.631 42.059 -0.958 0.000 1.338 1025 L HN 0.567 nan 8.230 nan 0.000 0.414 1026 P HA 0.068 nan 4.420 nan 0.000 0.272 1026 P C 0.112 177.518 177.300 0.176 0.000 1.230 1026 P CA -0.386 62.709 63.100 -0.008 0.000 0.788 1026 P CB 0.419 32.114 31.700 -0.007 0.000 0.949 1027 N N 1.519 120.338 118.700 0.198 0.000 2.272 1027 N HA -0.132 4.608 4.740 -0.000 0.000 0.185 1027 N C 1.056 176.679 175.510 0.189 0.000 1.014 1027 N CA 2.042 55.264 53.050 0.288 0.000 0.870 1027 N CB -1.235 37.377 38.487 0.208 0.000 0.975 1027 N HN 0.277 nan 8.380 nan 0.000 0.433 1028 V N -0.546 119.432 119.914 0.107 0.000 2.871 1028 V HA 0.014 4.133 4.120 -0.000 0.000 0.256 1028 V C 2.474 178.562 176.094 -0.010 0.000 1.082 1028 V CA 1.068 63.392 62.300 0.041 0.000 1.105 1028 V CB -0.938 30.898 31.823 0.022 0.000 0.713 1028 V HN 0.258 nan 8.190 nan 0.000 0.473 1029 V N -1.822 118.117 119.914 0.042 0.000 3.461 1029 V HA 0.102 4.222 4.120 -0.000 0.000 0.267 1029 V C 2.172 178.202 176.094 -0.106 0.000 1.186 1029 V CA 1.315 63.615 62.300 0.000 0.000 1.154 1029 V CB -0.083 31.752 31.823 0.020 0.000 0.802 1029 V HN 0.457 nan 8.190 nan 0.000 0.474 1030 L N 1.923 123.001 121.223 -0.242 0.000 2.046 1030 L HA 0.097 4.436 4.340 -0.000 0.000 0.208 1030 L C -0.007 176.493 176.870 -0.615 0.000 1.077 1030 L CA 2.463 56.816 54.840 -0.812 0.000 0.747 1030 L CB -1.529 39.949 42.059 -0.968 0.000 0.896 1030 L HN 0.317 nan 8.230 nan 0.000 0.432 1031 P HA -0.018 nan 4.420 nan 0.000 0.226 1031 P C -1.016 176.117 177.300 -0.279 0.000 1.153 1031 P CA 1.026 63.730 63.100 -0.660 0.000 0.777 1031 P CB -0.246 30.836 31.700 -1.030 0.000 0.794 1032 D N -1.012 119.272 120.400 -0.193 0.000 2.688 1032 D HA 0.506 5.145 4.640 -0.000 0.000 0.210 1032 D C -1.454 174.829 176.300 -0.027 0.000 1.333 1032 D CA -0.800 53.157 54.000 -0.071 0.000 0.920 1032 D CB 1.304 42.062 40.800 -0.069 0.000 1.554 1032 D HN 0.009 nan 8.370 nan 0.000 0.579 1033 A N 1.156 124.007 122.820 0.052 0.000 2.604 1033 A HA 0.665 4.985 4.320 -0.000 0.000 0.295 1033 A C -1.731 175.917 177.584 0.106 0.000 1.067 1033 A CA -0.764 51.312 52.037 0.065 0.000 0.683 1033 A CB 2.063 21.092 19.000 0.048 0.000 1.281 1033 A HN 0.446 nan 8.150 nan 0.000 0.407 1034 V N 2.397 122.359 119.914 0.080 0.000 2.380 1034 V HA 0.361 4.480 4.120 -0.000 0.000 0.286 1034 V C -0.692 175.456 176.094 0.090 0.000 1.015 1034 V CA 0.003 62.353 62.300 0.084 0.000 0.834 1034 V CB 1.032 32.895 31.823 0.066 0.000 1.009 1034 V HN 0.666 nan 8.190 nan 0.000 0.428 1035 I N 4.722 125.351 120.570 0.098 0.000 2.291 1035 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 1035 I C 0.613 176.769 176.117 0.065 0.000 1.050 1035 I CA -0.030 61.319 61.300 0.082 0.000 1.245 1035 I CB 1.522 39.580 38.000 0.098 0.000 1.405 1035 I HN 0.651 nan 8.210 nan 0.000 0.478 1036 T N 5.674 120.274 114.554 0.077 0.000 2.753 1036 T HA 0.596 4.946 4.350 -0.000 0.000 0.297 1036 T C -0.387 174.330 174.700 0.028 0.000 0.981 1036 T CA -0.511 61.618 62.100 0.048 0.000 0.956 1036 T CB 0.382 69.276 68.868 0.044 0.000 0.936 1036 T HN 0.296 nan 8.240 nan 0.000 0.463 1037 I N 3.944 124.511 120.570 -0.005 0.000 2.331 1037 I HA 0.406 4.576 4.170 -0.000 0.000 0.292 1037 I C 0.851 176.945 176.117 -0.038 0.000 0.998 1037 I CA -0.347 60.929 61.300 -0.040 0.000 1.267 1037 I CB 1.736 39.699 38.000 -0.062 0.000 1.386 1037 I HN 0.671 nan 8.210 nan 0.000 0.476 1038 T N 0.000 114.527 114.554 -0.045 0.000 3.816 1038 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1038 T CA 0.000 62.080 62.100 -0.033 0.000 1.349 1038 T CB 0.000 68.857 68.868 -0.018 0.000 0.612 1038 T HN 0.000 nan 8.240 nan 0.000 0.658