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 2x2h_1_D DATA FIRST_RESID 14 DATA SEQUENCE TDNPDGIDYK TYDYVGVWGF SPLSNTNWFA AGSSTPGGIT DWTATMNVNF DATA SEQUENCE DRIDNPSITV QHPVQVQVTS YNNNSYRVRF NPDGPIRDVT RGPILKQQLD DATA SEQUENCE WIRTQELSEG CDPGMTFTSE GFLTFETKDL SVIIYGNFKT RVTRKSDGKV DATA SEQUENCE IMENDEVGTA SSGNKCRGLM FVDRLYGNAI ASVNKNFRND AVKQEGFYGA DATA SEQUENCE GEVNCKYQDT YILERTGIAM TNYNYDNLNY NQWDLRPPHH DGALNPDYYI DATA SEQUENCE PMYYAAPWLI VNGCAGTSEQ YSYGWFMDNV SQSYMNTGDT TWNSGQEDLA DATA SEQUENCE YMGAQYGPFD QHFVYGAGGG MEXVVTAFSL LQGKEFENQV LNKRSVMPPK DATA SEQUENCE YVFGFFQGVF GTSSLLRAHM PAGENNISVE EIVEGYQNNN FPFEGLAVDV DATA SEQUENCE DMQDNLRVFT TKGEFWTANR VGTGGDPNNR SVFEWAHDKG LVCQTNITCF DATA SEQUENCE LRNDNEGQDY EVNQTLRERQ LYTKNDSLTG TDFGMTDDGP SDAYIGHLDY DATA SEQUENCE GGGVECDALF PDWGRPDVAE WWGNNYKKLF SIGLDFVWQD MTVPAMMPHK DATA SEQUENCE IGDDINVKPD GNWPNADDPS NGQYNWKTYH PQVLVTDMRY ENHGREPMVT DATA SEQUENCE QRNIHAYTLC ESTRKEGIVE NADTLTKFRR SYIISRGGYI GNQHFGGMWV DATA SEQUENCE GDNSTTSNYI QMMIANNINM NMSCLPLVGS DIGGFTSYDN ENQRTPCTGD DATA SEQUENCE LMVRYVQAGC LLPWFRNHYD RWIESKDHGK DYQELYMYPN EMDTLRKFVE DATA SEQUENCE FRYRWQEVLY TAMYQNAAFG KPIIKAASMY NNDSNVRRAQ NDHFLLGGHD DATA SEQUENCE GYRILCAPVV WENSTERELY LPVLTQWYKF GPDFDTKPLE GAMNGGDRIY DATA SEQUENCE NYPVPQSESP IFVREGAILP TRYTLNGENK SLNTYTDEDP LVFEVFPLGN DATA SEQUENCE NRADGMCYLD DGGVTTNAED NGKFSVVKVA AEQDGGTETI TFTNDCYEYV DATA SEQUENCE FGGPFYVRVR GAQSPSNIHV SSGAGSQDMK VSSATSRAAL FNDGENGDFW DATA SEQUENCE VDQETDSLWL KLPNVVLPDA VITIT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 14 T HA 0.000 nan 4.350 nan 0.000 0.228 14 T C 0.000 174.641 174.700 -0.099 0.000 1.109 14 T CA 0.000 62.058 62.100 -0.070 0.000 1.349 14 T CB 0.000 68.840 68.868 -0.047 0.000 0.612 15 D N 3.147 123.511 120.400 -0.060 0.000 2.390 15 D HA 0.407 5.047 4.640 0.000 0.000 0.249 15 D C 0.498 176.781 176.300 -0.028 0.000 1.144 15 D CA 0.526 54.498 54.000 -0.048 0.000 0.880 15 D CB 0.292 41.081 40.800 -0.018 0.000 1.182 15 D HN 0.414 nan 8.370 nan 0.000 0.451 16 N N 2.316 121.005 118.700 -0.019 0.000 2.696 16 N HA -0.152 4.588 4.740 0.000 0.000 0.256 16 N C -1.912 173.596 175.510 -0.005 0.000 1.031 16 N CA -0.080 52.998 53.050 0.047 0.000 0.730 16 N CB -0.417 38.162 38.487 0.153 0.000 0.894 16 N HN 0.254 nan 8.380 nan 0.000 0.544 17 P HA -0.061 nan 4.420 nan 0.000 0.218 17 P C 0.725 178.011 177.300 -0.023 0.000 1.148 17 P CA 1.099 64.159 63.100 -0.066 0.000 0.822 17 P CB 0.135 31.759 31.700 -0.127 0.000 0.784 18 D N -1.811 118.583 120.400 -0.010 0.000 2.347 18 D HA 0.118 4.758 4.640 0.000 0.000 0.215 18 D C 1.173 177.457 176.300 -0.027 0.000 0.976 18 D CA 0.938 54.929 54.000 -0.014 0.000 0.884 18 D CB -0.674 40.116 40.800 -0.016 0.000 0.915 18 D HN 0.068 nan 8.370 nan 0.000 0.526 19 G N 1.094 109.883 108.800 -0.019 0.000 2.298 19 G HA2 -0.294 3.666 3.960 0.000 0.000 0.287 19 G HA3 -0.294 3.666 3.960 0.000 0.000 0.287 19 G C 0.244 175.095 174.900 -0.081 0.000 1.075 19 G CA -0.176 44.907 45.100 -0.027 0.000 0.960 19 G HN 0.340 nan 8.290 nan 0.000 0.502 20 I N -0.067 120.414 120.570 -0.148 0.000 2.634 20 I HA 0.194 4.364 4.170 0.000 0.000 0.284 20 I C 0.491 176.347 176.117 -0.436 0.000 1.124 20 I CA -0.058 61.039 61.300 -0.339 0.000 1.417 20 I CB 0.897 38.572 38.000 -0.542 0.000 1.396 20 I HN 0.218 nan 8.210 nan 0.000 0.571 21 D N 5.225 125.418 120.400 -0.345 0.000 2.392 21 D HA 0.244 4.884 4.640 0.000 0.000 0.228 21 D C -1.177 174.979 176.300 -0.240 0.000 1.074 21 D CA -0.327 53.546 54.000 -0.213 0.000 0.838 21 D CB 0.453 41.208 40.800 -0.074 0.000 1.067 21 D HN 0.147 nan 8.370 nan 0.000 0.511 22 Y N 3.097 123.449 120.300 0.086 0.000 2.539 22 Y HA 0.220 4.770 4.550 0.000 0.000 0.352 22 Y C 1.501 177.390 175.900 -0.018 0.000 1.004 22 Y CA -0.267 57.867 58.100 0.057 0.000 1.278 22 Y CB 1.053 39.451 38.460 -0.103 0.000 1.136 22 Y HN 0.307 nan 8.280 nan 0.000 0.528 23 K N 1.121 121.570 120.400 0.081 0.000 2.356 23 K HA 0.144 4.465 4.320 0.000 0.000 0.195 23 K C -0.119 176.516 176.600 0.058 0.000 1.037 23 K CA 0.503 56.827 56.287 0.061 0.000 1.014 23 K CB 0.462 32.970 32.500 0.013 0.000 0.815 23 K HN 0.486 nan 8.250 nan 0.000 0.507 24 T N -0.319 114.236 114.554 0.002 0.000 2.881 24 T HA 0.330 4.680 4.350 0.000 0.000 0.290 24 T C -0.569 174.127 174.700 -0.006 0.000 1.000 24 T CA -0.551 61.582 62.100 0.055 0.000 0.978 24 T CB 1.178 70.071 68.868 0.042 0.000 0.997 24 T HN -0.001 nan 8.240 nan 0.000 0.443 25 Y N -0.223 120.243 120.300 0.275 0.000 2.585 25 Y HA 0.248 4.798 4.550 0.000 0.000 0.272 25 Y C 1.020 177.093 175.900 0.289 0.000 1.119 25 Y CA -0.481 57.787 58.100 0.280 0.000 1.255 25 Y CB 0.561 39.185 38.460 0.273 0.000 1.284 25 Y HN 0.493 nan 8.280 nan 0.000 0.499 26 D N 0.105 120.761 120.400 0.426 0.000 2.357 26 D HA -0.051 4.590 4.640 0.000 0.000 0.242 26 D C -0.409 175.852 176.300 -0.065 0.000 1.153 26 D CA -0.157 54.068 54.000 0.374 0.000 0.918 26 D CB 0.452 41.544 40.800 0.486 0.000 1.181 26 D HN 0.003 nan 8.370 nan 0.000 0.435 27 Y N 0.945 120.702 120.300 -0.905 0.000 2.810 27 Y HA 0.073 4.623 4.550 0.000 0.000 0.332 27 Y C -0.553 174.903 175.900 -0.741 0.000 1.243 27 Y CA 0.129 57.441 58.100 -1.312 0.000 1.537 27 Y CB 0.252 37.326 38.460 -2.311 0.000 1.265 27 Y HN -0.041 nan 8.280 nan 0.000 0.572 28 V N 7.944 127.248 119.914 -1.016 0.000 2.325 28 V HA 0.403 4.523 4.120 0.000 0.000 0.280 28 V C 0.747 176.122 176.094 -1.197 0.000 1.016 28 V CA -0.521 61.298 62.300 -0.802 0.000 0.818 28 V CB 0.740 32.386 31.823 -0.295 0.000 1.019 28 V HN 1.110 nan 8.190 nan 0.000 0.434 29 G N 2.342 110.114 108.800 -1.714 0.000 2.699 29 G HA2 0.295 4.256 3.960 0.000 0.000 0.246 29 G HA3 0.295 4.256 3.960 0.000 0.000 0.246 29 G C 1.369 175.310 174.900 -1.597 0.000 1.219 29 G CA 0.208 43.969 45.100 -2.232 0.000 0.866 29 G HN 1.015 nan 8.290 nan 0.000 0.572 30 V N -2.439 116.705 119.914 -1.284 0.000 2.568 30 V HA -0.165 3.955 4.120 0.000 0.000 0.253 30 V C 2.132 177.954 176.094 -0.454 0.000 1.072 30 V CA 2.053 64.045 62.300 -0.514 0.000 1.084 30 V CB -1.342 30.404 31.823 -0.128 0.000 0.676 30 V HN 0.895 nan 8.190 nan 0.000 0.469 31 W N 1.715 122.695 121.300 -0.534 0.000 2.611 31 W HA 0.425 5.085 4.660 0.000 0.000 0.251 31 W C 1.871 178.244 176.519 -0.244 0.000 1.265 31 W CA 0.458 57.456 57.345 -0.578 0.000 1.295 31 W CB -1.097 27.626 29.460 -1.228 0.000 1.129 31 W HN 0.253 nan 8.180 nan 0.000 0.630 32 G N -0.944 107.686 108.800 -0.284 0.000 3.519 32 G HA2 0.188 4.148 3.960 0.000 0.000 0.269 32 G HA3 0.188 4.148 3.960 0.000 0.000 0.269 32 G C -0.977 173.854 174.900 -0.114 0.000 1.028 32 G CA -0.422 44.603 45.100 -0.125 0.000 0.809 32 G HN 0.125 nan 8.290 nan 0.000 0.521 33 F N 3.350 123.097 119.950 -0.337 0.000 2.382 33 F HA 0.534 5.061 4.527 0.000 0.000 0.361 33 F C 0.149 175.830 175.800 -0.198 0.000 1.109 33 F CA -1.454 56.312 58.000 -0.390 0.000 1.031 33 F CB 1.813 40.243 39.000 -0.949 0.000 1.234 33 F HN -0.007 nan 8.300 nan 0.000 0.445 34 S N 6.241 121.631 115.700 -0.517 0.000 2.293 34 S HA 0.317 4.788 4.470 0.000 0.000 0.154 34 S C -2.368 171.886 174.600 -0.577 0.000 1.602 34 S CA -1.009 56.956 58.200 -0.391 0.000 1.260 34 S CB 0.860 63.976 63.200 -0.140 0.000 1.270 34 S HN 0.433 nan 8.310 nan 0.000 0.416 35 P HA -0.034 nan 4.420 nan 0.000 0.220 35 P C 1.245 177.927 177.300 -1.030 0.000 1.148 35 P CA 0.642 62.806 63.100 -1.560 0.000 0.803 35 P CB -0.043 30.557 31.700 -1.832 0.000 0.782 36 L N -0.973 119.859 121.223 -0.651 0.000 2.551 36 L HA 0.010 4.351 4.340 0.000 0.000 0.228 36 L C 2.272 178.991 176.870 -0.251 0.000 1.153 36 L CA 0.607 55.225 54.840 -0.370 0.000 0.851 36 L CB -0.886 41.052 42.059 -0.202 0.000 0.959 36 L HN -0.055 nan 8.230 nan 0.000 0.451 37 S N 0.010 115.560 115.700 -0.250 0.000 2.428 37 S HA -0.075 4.395 4.470 0.000 0.000 0.230 37 S C 1.055 175.597 174.600 -0.096 0.000 1.014 37 S CA 0.640 58.763 58.200 -0.129 0.000 0.957 37 S CB -0.045 63.108 63.200 -0.080 0.000 0.784 37 S HN 0.559 nan 8.310 nan 0.000 0.499 38 N N -0.320 118.298 118.700 -0.137 0.000 2.924 38 N HA -0.144 4.596 4.740 0.000 0.000 0.210 38 N C 0.264 175.846 175.510 0.120 0.000 0.902 38 N CA 1.713 54.737 53.050 -0.042 0.000 1.061 38 N CB -2.128 36.316 38.487 -0.072 0.000 0.985 38 N HN 0.646 nan 8.380 nan 0.000 0.600 39 T N 0.359 114.965 114.554 0.087 0.000 2.792 39 T HA 0.216 4.566 4.350 0.000 0.000 0.286 39 T C 0.845 175.532 174.700 -0.022 0.000 0.970 39 T CA 0.621 62.723 62.100 0.003 0.000 1.187 39 T CB 0.603 69.444 68.868 -0.046 0.000 0.915 39 T HN 0.325 nan 8.240 nan 0.000 0.529 40 N N 0.372 118.998 118.700 -0.123 0.000 2.828 40 N HA -0.141 4.599 4.740 0.000 0.000 0.248 40 N C -1.020 174.335 175.510 -0.259 0.000 1.044 40 N CA 1.144 54.075 53.050 -0.199 0.000 0.851 40 N CB -1.774 36.555 38.487 -0.263 0.000 1.136 40 N HN 0.862 nan 8.380 nan 0.000 0.572 41 W N 0.442 121.602 121.300 -0.233 0.000 2.390 41 W HA 0.548 5.208 4.660 0.000 0.000 0.312 41 W C 0.468 176.788 176.519 -0.331 0.000 1.123 41 W CA -0.524 56.682 57.345 -0.231 0.000 1.202 41 W CB 0.383 29.735 29.460 -0.179 0.000 1.251 41 W HN -0.120 nan 8.180 nan 0.000 0.511 42 F N 2.718 122.562 119.950 -0.177 0.000 2.412 42 F HA 0.511 5.039 4.527 0.000 0.000 0.348 42 F C 0.793 176.562 175.800 -0.052 0.000 1.102 42 F CA -0.205 57.625 58.000 -0.283 0.000 1.196 42 F CB 0.591 39.014 39.000 -0.960 0.000 1.144 42 F HN 0.349 nan 8.300 nan 0.000 0.541 43 A N 2.004 124.995 122.820 0.285 0.000 2.479 43 A HA 0.843 5.163 4.320 0.000 0.000 0.296 43 A C -1.010 176.720 177.584 0.245 0.000 1.121 43 A CA -0.778 51.428 52.037 0.282 0.000 0.743 43 A CB 0.834 19.913 19.000 0.132 0.000 1.323 43 A HN 0.905 nan 8.150 nan 0.000 0.415 44 A N -0.193 122.656 122.820 0.048 0.000 2.492 44 A HA 0.484 4.804 4.320 0.000 0.000 0.254 44 A C 1.099 178.605 177.584 -0.129 0.000 1.091 44 A CA 0.459 52.300 52.037 -0.328 0.000 0.768 44 A CB -0.302 18.496 19.000 -0.336 0.000 1.028 44 A HN 1.759 nan 8.150 nan 0.000 0.498 45 G N 0.863 109.575 108.800 -0.146 0.000 2.747 45 G HA2 0.417 4.377 3.960 0.000 0.000 0.202 45 G HA3 0.417 4.377 3.960 0.000 0.000 0.202 45 G C 0.438 175.318 174.900 -0.033 0.000 1.090 45 G CA 0.969 46.043 45.100 -0.044 0.000 0.779 45 G HN 1.724 nan 8.290 nan 0.000 0.535 46 S N -1.241 114.422 115.700 -0.062 0.000 2.643 46 S HA 0.671 5.141 4.470 0.000 0.000 0.266 46 S C -0.889 173.692 174.600 -0.032 0.000 1.130 46 S CA 0.340 58.532 58.200 -0.014 0.000 0.817 46 S CB 1.488 64.688 63.200 0.000 0.000 1.107 46 S HN 1.365 nan 8.310 nan 0.000 0.471 47 S N -0.393 115.316 115.700 0.015 0.000 2.636 47 S HA 0.866 5.336 4.470 0.000 0.000 0.266 47 S C -0.971 173.637 174.600 0.013 0.000 1.147 47 S CA -0.180 58.027 58.200 0.012 0.000 0.815 47 S CB 0.988 64.225 63.200 0.062 0.000 1.119 47 S HN 2.176 nan 8.310 nan 0.000 0.470 48 T N -1.506 113.036 114.554 -0.019 0.000 2.903 48 T HA 0.787 5.138 4.350 0.000 0.000 0.299 48 T C -3.428 171.175 174.700 -0.161 0.000 1.093 48 T CA -2.007 60.046 62.100 -0.078 0.000 1.002 48 T CB 1.168 69.986 68.868 -0.084 0.000 1.127 48 T HN 0.449 nan 8.240 nan 0.000 0.488 49 P HA 0.326 nan 4.420 nan 0.000 0.266 49 P C 0.602 177.634 177.300 -0.445 0.000 1.195 49 P CA 0.035 62.621 63.100 -0.856 0.000 0.768 49 P CB 0.307 31.157 31.700 -1.417 0.000 0.838 50 G N 1.650 110.297 108.800 -0.256 0.000 4.100 50 G HA2 0.510 4.470 3.960 0.000 0.000 0.294 50 G HA3 0.510 4.470 3.960 0.000 0.000 0.294 50 G C 0.245 175.180 174.900 0.058 0.000 1.040 50 G CA 0.107 45.178 45.100 -0.048 0.000 0.829 50 G HN 0.886 nan 8.290 nan 0.000 0.505 51 G N -0.015 108.845 108.800 0.100 0.000 2.712 51 G HA2 -0.089 3.871 3.960 0.000 0.000 0.686 51 G HA3 -0.089 3.871 3.960 0.000 0.000 0.686 51 G C -0.705 174.377 174.900 0.304 0.000 1.321 51 G CA -0.623 44.601 45.100 0.206 0.000 0.813 51 G HN 0.616 nan 8.290 nan 0.000 0.599 52 I N 0.851 121.563 120.570 0.236 0.000 2.465 52 I HA 0.579 4.749 4.170 0.000 0.000 0.291 52 I C 0.050 176.241 176.117 0.123 0.000 1.014 52 I CA -0.716 60.684 61.300 0.167 0.000 1.093 52 I CB 2.561 40.631 38.000 0.117 0.000 1.267 52 I HN 0.528 nan 8.210 nan 0.000 0.431 53 T N 4.487 119.108 114.554 0.113 0.000 2.881 53 T HA 0.307 4.658 4.350 0.000 0.000 0.291 53 T C -0.396 174.364 174.700 0.099 0.000 0.990 53 T CA -0.376 61.779 62.100 0.092 0.000 0.976 53 T CB 1.423 70.337 68.868 0.076 0.000 0.970 53 T HN 0.723 nan 8.240 nan 0.000 0.438 54 D N 1.220 121.673 120.400 0.089 0.000 3.685 54 D HA -0.185 4.455 4.640 0.000 0.000 0.152 54 D C 0.049 176.522 176.300 0.289 0.000 0.966 54 D CA 1.494 55.544 54.000 0.083 0.000 1.085 54 D CB -0.470 40.320 40.800 -0.016 0.000 0.521 54 D HN 0.634 nan 8.370 nan 0.000 0.543 55 W N 1.546 122.840 121.300 -0.009 0.000 3.151 55 W HA 0.384 5.044 4.660 0.000 0.000 0.424 55 W C 0.071 176.555 176.519 -0.059 0.000 1.012 55 W CA 0.017 57.338 57.345 -0.040 0.000 2.018 55 W CB -0.373 29.073 29.460 -0.023 0.000 1.087 55 W HN -0.066 nan 8.180 nan 0.000 0.740 56 T N 1.032 115.690 114.554 0.174 0.000 2.809 56 T HA 0.663 5.013 4.350 0.000 0.000 0.296 56 T C 0.129 174.886 174.700 0.095 0.000 1.015 56 T CA -0.327 61.842 62.100 0.114 0.000 0.954 56 T CB 1.591 70.534 68.868 0.124 0.000 0.950 56 T HN -0.045 nan 8.240 nan 0.000 0.450 57 A N 3.144 125.998 122.820 0.057 0.000 2.293 57 A HA 0.754 5.074 4.320 0.000 0.000 0.302 57 A C 0.310 178.021 177.584 0.211 0.000 1.119 57 A CA -0.539 51.560 52.037 0.103 0.000 0.823 57 A CB 0.521 19.483 19.000 -0.065 0.000 1.097 57 A HN 0.664 nan 8.150 nan 0.000 0.491 58 T N 2.535 117.271 114.554 0.303 0.000 2.824 58 T HA 0.560 4.910 4.350 0.000 0.000 0.282 58 T C -0.395 174.509 174.700 0.341 0.000 0.993 58 T CA -0.071 62.193 62.100 0.273 0.000 0.967 58 T CB 0.815 69.795 68.868 0.188 0.000 0.960 58 T HN 0.579 nan 8.240 nan 0.000 0.441 59 M N 3.236 123.018 119.600 0.305 0.000 2.227 59 M HA 0.394 4.875 4.480 0.000 0.000 0.335 59 M C -0.121 176.260 176.300 0.134 0.000 1.053 59 M CA -0.870 54.580 55.300 0.251 0.000 0.973 59 M CB 1.210 34.026 32.600 0.360 0.000 1.623 59 M HN 0.324 nan 8.290 nan 0.000 0.434 60 N N 3.032 121.769 118.700 0.061 0.000 2.508 60 N HA 0.191 4.931 4.740 0.000 0.000 0.253 60 N C -1.075 174.431 175.510 -0.006 0.000 1.145 60 N CA 0.036 53.102 53.050 0.027 0.000 0.973 60 N CB 0.482 38.968 38.487 -0.001 0.000 1.305 60 N HN 0.349 nan 8.380 nan 0.000 0.506 61 V N 2.780 122.672 119.914 -0.036 0.000 2.432 61 V HA 0.160 4.281 4.120 0.000 0.000 0.275 61 V C 0.427 176.394 176.094 -0.212 0.000 1.043 61 V CA -0.833 61.348 62.300 -0.198 0.000 0.925 61 V CB 0.901 32.445 31.823 -0.465 0.000 0.985 61 V HN 0.442 nan 8.190 nan 0.000 0.466 62 N N 4.581 123.161 118.700 -0.200 0.000 2.408 62 N HA 0.357 5.097 4.740 0.000 0.000 0.257 62 N C -0.811 174.580 175.510 -0.197 0.000 1.064 62 N CA 0.004 52.991 53.050 -0.105 0.000 0.952 62 N CB 0.918 39.381 38.487 -0.040 0.000 1.093 62 N HN 0.436 nan 8.380 nan 0.000 0.490 63 F N 1.047 121.018 119.950 0.035 0.000 2.408 63 F HA 0.264 4.791 4.527 0.000 0.000 0.344 63 F C 0.706 176.677 175.800 0.286 0.000 1.112 63 F CA -0.450 57.617 58.000 0.113 0.000 1.096 63 F CB 1.152 40.198 39.000 0.076 0.000 1.129 63 F HN 0.200 nan 8.300 nan 0.000 0.486 64 D N 2.402 123.064 120.400 0.438 0.000 2.350 64 D HA 0.254 4.894 4.640 0.000 0.000 0.245 64 D C -0.188 176.203 176.300 0.150 0.000 1.036 64 D CA -0.717 53.472 54.000 0.314 0.000 0.848 64 D CB 1.560 42.438 40.800 0.130 0.000 1.307 64 D HN 0.201 nan 8.370 nan 0.000 0.469 65 R N 1.849 122.257 120.500 -0.153 0.000 2.421 65 R HA 0.134 4.475 4.340 0.000 0.000 0.305 65 R C 1.325 177.536 176.300 -0.149 0.000 1.039 65 R CA -0.015 55.847 56.100 -0.396 0.000 1.003 65 R CB 0.407 30.431 30.300 -0.460 0.000 0.959 65 R HN 0.554 nan 8.270 nan 0.000 0.427 66 I N 1.923 122.431 120.570 -0.103 0.000 2.208 66 I HA -0.336 3.834 4.170 0.000 0.000 0.245 66 I C 1.590 177.673 176.117 -0.056 0.000 1.097 66 I CA 1.742 63.013 61.300 -0.049 0.000 1.363 66 I CB -0.202 37.780 38.000 -0.030 0.000 1.051 66 I HN 0.560 nan 8.210 nan 0.000 0.413 67 D N -1.140 119.214 120.400 -0.075 0.000 2.340 67 D HA -0.073 4.568 4.640 0.000 0.000 0.220 67 D C 0.545 176.806 176.300 -0.065 0.000 1.039 67 D CA 0.313 54.273 54.000 -0.066 0.000 0.866 67 D CB -0.214 40.544 40.800 -0.070 0.000 0.913 67 D HN 0.151 nan 8.370 nan 0.000 0.523 68 N N -0.185 118.469 118.700 -0.076 0.000 2.785 68 N HA 0.169 4.909 4.740 0.000 0.000 0.224 68 N C -2.460 173.022 175.510 -0.046 0.000 1.448 68 N CA -1.194 51.821 53.050 -0.057 0.000 0.748 68 N CB 1.333 39.783 38.487 -0.061 0.000 1.385 68 N HN -0.199 nan 8.380 nan 0.000 0.538 69 P HA -0.040 nan 4.420 nan 0.000 0.230 69 P C 1.181 178.495 177.300 0.024 0.000 1.158 69 P CA 0.853 63.952 63.100 -0.001 0.000 0.769 69 P CB 0.205 31.905 31.700 0.001 0.000 0.807 70 S N -1.065 114.645 115.700 0.017 0.000 2.474 70 S HA -0.028 4.442 4.470 0.000 0.000 0.235 70 S C 0.938 175.570 174.600 0.054 0.000 0.997 70 S CA 0.321 58.540 58.200 0.031 0.000 0.949 70 S CB -1.069 62.143 63.200 0.019 0.000 0.766 70 S HN 0.079 nan 8.310 nan 0.000 0.517 71 I N 2.187 122.789 120.570 0.054 0.000 2.379 71 I HA 0.308 4.478 4.170 0.000 0.000 0.290 71 I C 0.230 176.492 176.117 0.241 0.000 1.063 71 I CA 0.025 61.389 61.300 0.106 0.000 1.351 71 I CB 1.027 39.053 38.000 0.043 0.000 1.410 71 I HN 0.118 nan 8.210 nan 0.000 0.505 72 T N 5.556 120.278 114.554 0.280 0.000 2.916 72 T HA 0.655 5.005 4.350 0.000 0.000 0.305 72 T C -1.356 173.460 174.700 0.194 0.000 1.119 72 T CA -0.454 61.833 62.100 0.310 0.000 1.008 72 T CB 2.029 70.996 68.868 0.164 0.000 1.129 72 T HN 0.310 nan 8.240 nan 0.000 0.480 73 V N 3.524 123.494 119.914 0.094 0.000 3.087 73 V HA 0.650 4.770 4.120 0.000 0.000 0.306 73 V C -1.341 174.718 176.094 -0.058 0.000 1.187 73 V CA -0.624 61.627 62.300 -0.081 0.000 0.999 73 V CB 2.299 33.966 31.823 -0.260 0.000 1.049 73 V HN 0.970 nan 8.190 nan 0.000 0.431 74 Q N 3.178 122.848 119.800 -0.217 0.000 2.316 74 Q HA 0.606 4.946 4.340 0.000 0.000 0.264 74 Q C -1.742 174.002 176.000 -0.426 0.000 0.987 74 Q CA -0.513 55.196 55.803 -0.157 0.000 0.852 74 Q CB 1.460 30.134 28.738 -0.107 0.000 1.287 74 Q HN 0.930 nan 8.270 nan 0.000 0.448 75 H N 2.780 121.951 119.070 0.168 0.000 2.865 75 H HA 0.384 4.940 4.556 0.000 0.000 0.362 75 H C -2.443 172.949 175.328 0.106 0.000 1.114 75 H CA -1.803 54.309 56.048 0.106 0.000 1.208 75 H CB 1.862 31.644 29.762 0.033 0.000 1.727 75 H HN 0.523 nan 8.280 nan 0.000 0.534 76 P HA 0.055 nan 4.420 nan 0.000 0.271 76 P C -0.699 176.714 177.300 0.189 0.000 1.216 76 P CA -0.196 62.999 63.100 0.158 0.000 0.771 76 P CB 1.173 32.953 31.700 0.132 0.000 0.864 77 V N 4.634 124.643 119.914 0.159 0.000 2.444 77 V HA 0.251 4.372 4.120 0.000 0.000 0.294 77 V C 0.345 176.582 176.094 0.239 0.000 1.022 77 V CA -0.544 61.858 62.300 0.170 0.000 0.850 77 V CB 1.449 33.252 31.823 -0.033 0.000 0.992 77 V HN 0.478 nan 8.190 nan 0.000 0.426 78 Q N 2.773 122.727 119.800 0.257 0.000 2.243 78 Q HA 0.626 4.966 4.340 0.000 0.000 0.252 78 Q C -1.056 175.119 176.000 0.291 0.000 0.909 78 Q CA -0.468 55.482 55.803 0.244 0.000 0.922 78 Q CB 2.352 31.209 28.738 0.197 0.000 1.215 78 Q HN 0.594 nan 8.270 nan 0.000 0.427 79 V N 3.212 123.279 119.914 0.255 0.000 2.376 79 V HA 0.269 4.389 4.120 0.000 0.000 0.287 79 V C -0.604 175.539 176.094 0.081 0.000 1.015 79 V CA -0.634 61.811 62.300 0.242 0.000 0.834 79 V CB 1.443 33.399 31.823 0.221 0.000 1.001 79 V HN 0.705 nan 8.190 nan 0.000 0.428 80 Q N 4.065 123.940 119.800 0.125 0.000 2.325 80 Q HA 0.573 4.914 4.340 0.000 0.000 0.270 80 Q C -1.330 174.727 176.000 0.094 0.000 1.020 80 Q CA -0.581 55.279 55.803 0.095 0.000 0.785 80 Q CB 2.234 31.069 28.738 0.161 0.000 1.259 80 Q HN 0.560 nan 8.270 nan 0.000 0.452 81 V N 4.222 124.114 119.914 -0.035 0.000 2.479 81 V HA 0.037 4.157 4.120 0.000 0.000 0.281 81 V C 1.324 177.637 176.094 0.366 0.000 1.031 81 V CA 0.916 63.241 62.300 0.042 0.000 1.038 81 V CB 0.750 32.410 31.823 -0.272 0.000 0.981 81 V HN 1.046 nan 8.190 nan 0.000 0.478 82 T N 0.107 114.892 114.554 0.386 0.000 3.040 82 T HA 0.143 4.493 4.350 0.000 0.000 0.252 82 T C 0.711 175.677 174.700 0.444 0.000 1.064 82 T CA 0.471 62.819 62.100 0.414 0.000 1.110 82 T CB 0.413 69.523 68.868 0.402 0.000 0.921 82 T HN 0.585 nan 8.240 nan 0.000 0.480 83 S N -0.343 115.614 115.700 0.428 0.000 2.653 83 S HA 0.372 4.842 4.470 0.000 0.000 0.268 83 S C -0.299 174.509 174.600 0.347 0.000 1.153 83 S CA -0.872 57.582 58.200 0.423 0.000 1.036 83 S CB 0.876 64.283 63.200 0.345 0.000 1.103 83 S HN 0.300 nan 8.310 nan 0.000 0.466 84 Y N 5.495 125.930 120.300 0.226 0.000 2.114 84 Y HA -0.092 4.458 4.550 0.000 0.000 0.284 84 Y C 1.863 177.843 175.900 0.133 0.000 1.143 84 Y CA 2.236 60.385 58.100 0.082 0.000 1.135 84 Y CB -0.067 38.399 38.460 0.009 0.000 0.980 84 Y HN 0.699 nan 8.280 nan 0.000 0.499 85 N N 0.238 119.140 118.700 0.337 0.000 2.244 85 N HA -0.141 4.599 4.740 0.000 0.000 0.183 85 N C 0.559 176.167 175.510 0.163 0.000 1.016 85 N CA 1.309 54.500 53.050 0.235 0.000 0.866 85 N CB -0.338 38.304 38.487 0.260 0.000 0.980 85 N HN 0.517 nan 8.380 nan 0.000 0.430 86 N N 1.226 120.047 118.700 0.201 0.000 2.214 86 N HA 0.049 4.789 4.740 0.000 0.000 0.214 86 N C -0.716 174.943 175.510 0.250 0.000 1.132 86 N CA -0.066 53.112 53.050 0.214 0.000 0.856 86 N CB 0.219 38.843 38.487 0.228 0.000 1.020 86 N HN 0.074 nan 8.380 nan 0.000 0.509 87 N N 1.504 120.325 118.700 0.201 0.000 2.671 87 N HA -0.140 4.600 4.740 0.000 0.000 0.261 87 N C -0.854 174.857 175.510 0.336 0.000 1.053 87 N CA 0.849 54.028 53.050 0.216 0.000 0.732 87 N CB -1.278 37.374 38.487 0.276 0.000 0.887 87 N HN 0.388 nan 8.380 nan 0.000 0.546 88 S N -0.475 115.435 115.700 0.351 0.000 2.549 88 S HA 0.832 5.303 4.470 0.000 0.000 0.280 88 S C -0.633 174.254 174.600 0.479 0.000 1.109 88 S CA -0.903 57.543 58.200 0.410 0.000 0.905 88 S CB 2.798 66.228 63.200 0.383 0.000 1.081 88 S HN 0.433 nan 8.310 nan 0.000 0.477 89 Y N -0.093 120.422 120.300 0.359 0.000 2.715 89 Y HA 0.823 5.373 4.550 0.000 0.000 0.331 89 Y C -0.868 175.207 175.900 0.291 0.000 1.197 89 Y CA -1.311 56.967 58.100 0.296 0.000 1.079 89 Y CB 1.241 39.871 38.460 0.283 0.000 1.298 89 Y HN 0.980 nan 8.280 nan 0.000 0.477 90 R N 1.519 122.181 120.500 0.270 0.000 2.604 90 R HA 0.743 5.083 4.340 0.000 0.000 0.281 90 R C -2.495 173.949 176.300 0.240 0.000 1.020 90 R CA -0.781 55.315 56.100 -0.006 0.000 0.899 90 R CB 2.476 32.652 30.300 -0.207 0.000 1.205 90 R HN 0.743 nan 8.270 nan 0.000 0.450 91 V N 4.222 124.282 119.914 0.243 0.000 2.540 91 V HA 0.631 4.751 4.120 0.000 0.000 0.302 91 V C -0.414 175.933 176.094 0.421 0.000 1.035 91 V CA -0.764 61.810 62.300 0.456 0.000 0.873 91 V CB 1.706 33.955 31.823 0.709 0.000 0.992 91 V HN 0.759 nan 8.190 nan 0.000 0.428 92 R N 4.360 125.106 120.500 0.409 0.000 2.584 92 R HA 0.721 5.062 4.340 0.000 0.000 0.276 92 R C -1.887 174.659 176.300 0.410 0.000 1.046 92 R CA -0.453 55.874 56.100 0.379 0.000 0.906 92 R CB 2.061 32.480 30.300 0.199 0.000 1.215 92 R HN 0.706 nan 8.270 nan 0.000 0.449 93 F N 1.114 121.172 119.950 0.181 0.000 2.711 93 F HA 0.580 5.107 4.527 0.000 0.000 0.313 93 F C -1.859 173.924 175.800 -0.028 0.000 1.141 93 F CA -1.117 56.901 58.000 0.028 0.000 0.941 93 F CB 1.728 40.692 39.000 -0.059 0.000 1.349 93 F HN 0.391 nan 8.300 nan 0.000 0.464 94 N N 2.131 120.785 118.700 -0.078 0.000 2.577 94 N HA 0.441 5.182 4.740 0.000 0.000 0.275 94 N C -2.381 172.902 175.510 -0.379 0.000 1.091 94 N CA -2.534 50.354 53.050 -0.271 0.000 0.843 94 N CB 2.007 40.417 38.487 -0.129 0.000 1.295 94 N HN 0.381 nan 8.380 nan 0.000 0.530 95 P HA 0.033 nan 4.420 nan 0.000 0.230 95 P C -0.175 176.726 177.300 -0.665 0.000 1.158 95 P CA 0.958 63.291 63.100 -1.278 0.000 0.769 95 P CB 0.585 31.275 31.700 -1.684 0.000 0.807 96 D N -0.937 119.238 120.400 -0.376 0.000 2.379 96 D HA 0.254 4.894 4.640 0.000 0.000 0.208 96 D C 1.338 177.572 176.300 -0.111 0.000 1.065 96 D CA 0.565 54.444 54.000 -0.201 0.000 0.848 96 D CB 1.275 41.978 40.800 -0.162 0.000 0.949 96 D HN 0.203 nan 8.370 nan 0.000 0.509 97 G N 0.650 109.391 108.800 -0.098 0.000 2.336 97 G HA2 0.200 4.160 3.960 0.000 0.000 0.286 97 G HA3 0.200 4.160 3.960 0.000 0.000 0.286 97 G C -2.983 171.901 174.900 -0.027 0.000 1.269 97 G CA -0.881 44.194 45.100 -0.042 0.000 0.873 97 G HN -0.246 nan 8.290 nan 0.000 0.494 98 P HA 0.357 nan 4.420 nan 0.000 0.269 98 P C 0.041 177.323 177.300 -0.031 0.000 1.209 98 P CA -0.130 62.962 63.100 -0.014 0.000 0.776 98 P CB 0.478 32.163 31.700 -0.025 0.000 0.876 99 I N 2.619 123.191 120.570 0.003 0.000 2.556 99 I HA 0.132 4.302 4.170 0.000 0.000 0.284 99 I C 1.199 177.305 176.117 -0.018 0.000 1.114 99 I CA 0.423 61.730 61.300 0.011 0.000 1.418 99 I CB 0.132 38.170 38.000 0.064 0.000 1.394 99 I HN 0.222 nan 8.210 nan 0.000 0.552 100 R N 4.540 125.022 120.500 -0.029 0.000 2.621 100 R HA 0.294 4.634 4.340 0.000 0.000 0.292 100 R C -1.314 175.044 176.300 0.096 0.000 0.969 100 R CA -0.801 55.252 56.100 -0.078 0.000 0.887 100 R CB 1.401 31.466 30.300 -0.392 0.000 1.180 100 R HN 0.504 nan 8.270 nan 0.000 0.450 101 D N 3.604 124.062 120.400 0.097 0.000 2.317 101 D HA 0.067 4.707 4.640 0.000 0.000 0.252 101 D C 0.314 176.774 176.300 0.266 0.000 1.174 101 D CA -0.034 54.054 54.000 0.146 0.000 0.866 101 D CB 1.386 42.230 40.800 0.075 0.000 1.127 101 D HN 0.327 nan 8.370 nan 0.000 0.467 102 V N 1.324 121.355 119.914 0.195 0.000 2.763 102 V HA 0.095 4.215 4.120 0.000 0.000 0.306 102 V C 1.414 177.506 176.094 -0.003 0.000 1.059 102 V CA 0.080 62.351 62.300 -0.048 0.000 1.138 102 V CB 0.699 32.386 31.823 -0.226 0.000 0.940 102 V HN 0.668 nan 8.190 nan 0.000 0.489 103 T N 0.921 115.460 114.554 -0.025 0.000 3.057 103 T HA 0.162 4.512 4.350 0.000 0.000 0.254 103 T C 0.752 175.458 174.700 0.009 0.000 1.094 103 T CA 0.556 62.666 62.100 0.017 0.000 1.088 103 T CB -0.061 68.838 68.868 0.051 0.000 0.934 103 T HN 0.879 nan 8.240 nan 0.000 0.497 104 R N 0.025 120.502 120.500 -0.039 0.000 2.575 104 R HA 0.598 4.939 4.340 0.000 0.000 0.293 104 R C -0.692 175.581 176.300 -0.045 0.000 0.983 104 R CA -0.099 56.014 56.100 0.023 0.000 0.887 104 R CB 1.513 31.837 30.300 0.039 0.000 1.184 104 R HN 0.408 nan 8.270 nan 0.000 0.445 105 G N 3.429 112.249 108.800 0.033 0.000 2.368 105 G HA2 0.029 3.989 3.960 0.000 0.000 0.302 105 G HA3 0.029 3.989 3.960 0.000 0.000 0.302 105 G C -2.611 172.317 174.900 0.046 0.000 1.329 105 G CA -0.751 44.274 45.100 -0.125 0.000 0.935 105 G HN 0.383 nan 8.290 nan 0.000 0.590 106 P HA 0.080 nan 4.420 nan 0.000 0.217 106 P C 0.719 177.990 177.300 -0.049 0.000 1.150 106 P CA 1.037 64.115 63.100 -0.036 0.000 0.832 106 P CB 0.207 31.783 31.700 -0.206 0.000 0.787 107 I N 0.770 121.359 120.570 0.032 0.000 2.355 107 I HA 0.305 4.475 4.170 0.000 0.000 0.288 107 I C 0.264 176.405 176.117 0.040 0.000 0.999 107 I CA -0.937 60.385 61.300 0.036 0.000 1.163 107 I CB 1.170 39.233 38.000 0.106 0.000 1.316 107 I HN -0.138 nan 8.210 nan 0.000 0.454 108 L N 5.584 126.802 121.223 -0.008 0.000 2.346 108 L HA 0.432 4.773 4.340 0.000 0.000 0.274 108 L C 1.504 178.317 176.870 -0.095 0.000 1.007 108 L CA -0.701 54.102 54.840 -0.062 0.000 0.818 108 L CB 2.543 44.522 42.059 -0.134 0.000 1.284 108 L HN 0.573 nan 8.230 nan 0.000 0.424 109 K N 1.482 121.839 120.400 -0.072 0.000 2.089 109 K HA -0.262 4.058 4.320 0.000 0.000 0.210 109 K C 1.504 178.014 176.600 -0.150 0.000 1.048 109 K CA 2.129 58.380 56.287 -0.060 0.000 0.926 109 K CB 0.198 32.678 32.500 -0.033 0.000 0.714 109 K HN 0.631 nan 8.250 nan 0.000 0.448 110 Q N 0.252 119.850 119.800 -0.336 0.000 2.152 110 Q HA -0.240 4.100 4.340 0.000 0.000 0.206 110 Q C 2.058 177.752 176.000 -0.509 0.000 0.985 110 Q CA 2.086 57.551 55.803 -0.563 0.000 0.863 110 Q CB -0.187 27.854 28.738 -1.161 0.000 0.904 110 Q HN 0.368 nan 8.270 nan 0.000 0.422 111 Q N 0.137 119.653 119.800 -0.473 0.000 2.163 111 Q HA 0.013 4.353 4.340 0.000 0.000 0.198 111 Q C 1.732 177.818 176.000 0.144 0.000 0.954 111 Q CA 0.959 56.750 55.803 -0.020 0.000 0.851 111 Q CB -0.043 28.738 28.738 0.072 0.000 0.928 111 Q HN 0.421 nan 8.270 nan 0.000 0.459 112 L N 0.495 121.761 121.223 0.072 0.000 2.017 112 L HA -0.208 4.132 4.340 0.000 0.000 0.208 112 L C 1.837 178.764 176.870 0.094 0.000 1.073 112 L CA 1.467 56.383 54.840 0.127 0.000 0.745 112 L CB -0.622 41.514 42.059 0.127 0.000 0.894 112 L HN 0.256 nan 8.230 nan 0.000 0.432 113 D N -0.801 119.624 120.400 0.043 0.000 2.123 113 D HA -0.243 4.398 4.640 0.000 0.000 0.196 113 D C 1.700 178.029 176.300 0.048 0.000 0.992 113 D CA 1.199 55.203 54.000 0.006 0.000 0.833 113 D CB -0.249 40.547 40.800 -0.007 0.000 0.954 113 D HN 0.421 nan 8.370 nan 0.000 0.455 114 W N 1.423 122.712 121.300 -0.018 0.000 2.354 114 W HA -0.100 4.561 4.660 0.000 0.000 0.315 114 W C 2.173 178.706 176.519 0.024 0.000 1.206 114 W CA 1.155 58.520 57.345 0.033 0.000 1.290 114 W CB -0.400 29.134 29.460 0.124 0.000 1.152 114 W HN -0.138 nan 8.180 nan 0.000 0.489 115 I N 0.448 121.197 120.570 0.298 0.000 2.127 115 I HA -0.369 3.802 4.170 0.000 0.000 0.241 115 I C 2.730 178.787 176.117 -0.100 0.000 1.075 115 I CA 1.994 63.376 61.300 0.137 0.000 1.334 115 I CB -0.807 37.370 38.000 0.296 0.000 1.040 115 I HN 0.018 nan 8.210 nan 0.000 0.405 116 R N 0.511 120.927 120.500 -0.141 0.000 2.081 116 R HA -0.157 4.184 4.340 0.000 0.000 0.235 116 R C 2.294 178.304 176.300 -0.483 0.000 1.131 116 R CA 2.063 57.893 56.100 -0.450 0.000 0.960 116 R CB -0.289 29.643 30.300 -0.613 0.000 0.856 116 R HN 0.274 nan 8.270 nan 0.000 0.436 117 T N 1.400 115.730 114.554 -0.373 0.000 2.684 117 T HA -0.148 4.202 4.350 0.000 0.000 0.267 117 T C 1.736 176.225 174.700 -0.352 0.000 1.036 117 T CA 1.363 63.258 62.100 -0.342 0.000 1.148 117 T CB -0.155 68.543 68.868 -0.283 0.000 0.863 117 T HN 0.317 nan 8.240 nan 0.000 0.436 118 Q N 1.250 120.756 119.800 -0.489 0.000 2.061 118 Q HA -0.100 4.240 4.340 0.000 0.000 0.204 118 Q C 2.243 178.115 176.000 -0.212 0.000 0.984 118 Q CA 1.457 57.000 55.803 -0.433 0.000 0.846 118 Q CB -0.479 27.854 28.738 -0.675 0.000 0.902 118 Q HN 0.662 nan 8.270 nan 0.000 0.421 119 E N 0.473 120.587 120.200 -0.143 0.000 2.106 119 E HA -0.083 4.267 4.350 0.000 0.000 0.192 119 E C 2.264 178.880 176.600 0.026 0.000 0.984 119 E CA 0.441 56.859 56.400 0.030 0.000 0.806 119 E CB -0.100 29.745 29.700 0.243 0.000 0.750 119 E HN 0.237 nan 8.360 nan 0.000 0.458 120 L N 1.122 122.299 121.223 -0.077 0.000 2.046 120 L HA -0.189 4.151 4.340 0.000 0.000 0.208 120 L C 2.685 179.523 176.870 -0.053 0.000 1.077 120 L CA 1.420 56.229 54.840 -0.053 0.000 0.747 120 L CB -0.448 41.502 42.059 -0.181 0.000 0.896 120 L HN 0.199 nan 8.230 nan 0.000 0.432 121 S N -1.052 114.595 115.700 -0.089 0.000 2.474 121 S HA -0.151 4.320 4.470 0.000 0.000 0.235 121 S C 1.435 176.010 174.600 -0.041 0.000 0.997 121 S CA 0.849 59.008 58.200 -0.069 0.000 0.949 121 S CB -0.252 62.894 63.200 -0.089 0.000 0.766 121 S HN 0.511 nan 8.310 nan 0.000 0.517 122 E N 0.510 120.691 120.200 -0.032 0.000 2.474 122 E HA 0.322 4.672 4.350 0.000 0.000 0.195 122 E C 1.087 177.676 176.600 -0.018 0.000 1.039 122 E CA 0.142 56.534 56.400 -0.013 0.000 0.881 122 E CB 0.078 29.782 29.700 0.006 0.000 0.970 122 E HN 0.663 nan 8.360 nan 0.000 0.486 123 G N 1.231 110.016 108.800 -0.025 0.000 2.136 123 G HA2 -0.313 3.647 3.960 0.000 0.000 0.242 123 G HA3 -0.313 3.647 3.960 0.000 0.000 0.242 123 G C 0.330 175.166 174.900 -0.107 0.000 0.989 123 G CA -0.070 45.005 45.100 -0.041 0.000 0.682 123 G HN 0.336 nan 8.290 nan 0.000 0.522 124 C N 0.824 120.047 119.300 -0.128 0.000 2.634 124 C HA 0.500 4.961 4.460 0.000 0.000 0.418 124 C C 0.492 175.287 174.990 -0.325 0.000 1.373 124 C CA -0.000 58.758 59.018 -0.432 0.000 1.756 124 C CB 0.674 28.252 27.740 -0.270 0.000 2.589 124 C HN 0.497 nan 8.230 nan 0.000 0.602 125 D N 3.257 123.307 120.400 -0.583 0.000 2.402 125 D HA 0.322 4.963 4.640 0.000 0.000 0.252 125 D C -1.745 174.395 176.300 -0.267 0.000 1.294 125 D CA -1.500 52.339 54.000 -0.269 0.000 0.948 125 D CB 1.408 42.133 40.800 -0.126 0.000 1.202 125 D HN 0.192 nan 8.370 nan 0.000 0.561 126 P HA 0.145 nan 4.420 nan 0.000 0.230 126 P C 0.856 178.102 177.300 -0.090 0.000 1.158 126 P CA 0.554 63.551 63.100 -0.172 0.000 0.769 126 P CB 0.249 31.600 31.700 -0.583 0.000 0.807 127 G N -0.058 108.675 108.800 -0.111 0.000 2.283 127 G HA2 -0.321 3.640 3.960 0.000 0.000 0.280 127 G HA3 -0.321 3.640 3.960 0.000 0.000 0.280 127 G C 0.164 175.028 174.900 -0.058 0.000 1.029 127 G CA -0.000 45.065 45.100 -0.058 0.000 0.840 127 G HN 0.255 nan 8.290 nan 0.000 0.505 128 M N 0.331 119.873 119.600 -0.097 0.000 2.290 128 M HA 0.299 4.779 4.480 0.000 0.000 0.356 128 M C 0.701 176.930 176.300 -0.119 0.000 1.448 128 M CA 1.242 56.476 55.300 -0.111 0.000 0.993 128 M CB 0.435 32.922 32.600 -0.189 0.000 1.934 128 M HN 0.294 nan 8.290 nan 0.000 0.461 129 T N 3.446 117.900 114.554 -0.165 0.000 2.932 129 T HA 0.578 4.928 4.350 0.000 0.000 0.318 129 T C -1.468 173.094 174.700 -0.231 0.000 1.265 129 T CA -0.676 61.340 62.100 -0.139 0.000 1.036 129 T CB 0.826 69.669 68.868 -0.043 0.000 1.209 129 T HN 0.339 nan 8.240 nan 0.000 0.484 130 F N 3.483 123.436 119.950 0.006 0.000 2.411 130 F HA 0.404 4.931 4.527 0.000 0.000 0.350 130 F C 1.713 177.492 175.800 -0.035 0.000 1.114 130 F CA -0.400 57.597 58.000 -0.005 0.000 1.135 130 F CB 1.341 40.338 39.000 -0.005 0.000 1.120 130 F HN 0.662 nan 8.300 nan 0.000 0.495 131 T N -1.056 113.566 114.554 0.114 0.000 2.667 131 T HA 0.077 4.427 4.350 0.000 0.000 0.305 131 T C 1.372 176.036 174.700 -0.060 0.000 1.022 131 T CA -0.131 61.970 62.100 0.002 0.000 0.995 131 T CB 0.677 69.523 68.868 -0.036 0.000 1.026 131 T HN 0.609 nan 8.240 nan 0.000 0.527 132 S N 0.358 115.995 115.700 -0.105 0.000 2.382 132 S HA -0.129 4.341 4.470 0.000 0.000 0.228 132 S C 1.529 176.000 174.600 -0.215 0.000 1.027 132 S CA 1.054 59.182 58.200 -0.120 0.000 0.991 132 S CB -0.715 62.430 63.200 -0.092 0.000 0.823 132 S HN 0.821 nan 8.310 nan 0.000 0.469 133 E N 1.423 121.375 120.200 -0.413 0.000 2.478 133 E HA 0.296 4.646 4.350 0.000 0.000 0.198 133 E C 1.404 177.663 176.600 -0.568 0.000 1.046 133 E CA 0.534 56.546 56.400 -0.646 0.000 0.870 133 E CB -0.780 28.138 29.700 -1.303 0.000 0.818 133 E HN 0.665 nan 8.360 nan 0.000 0.527 134 G N -0.098 108.504 108.800 -0.331 0.000 2.141 134 G HA2 -0.257 3.704 3.960 0.000 0.000 0.242 134 G HA3 -0.257 3.704 3.960 0.000 0.000 0.242 134 G C -0.195 174.834 174.900 0.216 0.000 0.982 134 G CA -0.277 44.782 45.100 -0.067 0.000 0.662 134 G HN 0.133 nan 8.290 nan 0.000 0.527 135 F N -0.248 119.790 119.950 0.147 0.000 2.418 135 F HA 0.673 5.200 4.527 0.000 0.000 0.341 135 F C 0.689 176.532 175.800 0.071 0.000 1.120 135 F CA -1.910 56.128 58.000 0.064 0.000 1.232 135 F CB 0.794 39.753 39.000 -0.068 0.000 1.175 135 F HN 0.083 nan 8.300 nan 0.000 0.569 136 L N 1.755 123.056 121.223 0.129 0.000 2.312 136 L HA 0.585 4.926 4.340 0.000 0.000 0.281 136 L C -0.106 176.654 176.870 -0.183 0.000 1.070 136 L CA 0.413 55.163 54.840 -0.151 0.000 0.805 136 L CB 1.301 43.244 42.059 -0.194 0.000 1.174 136 L HN 0.662 nan 8.230 nan 0.000 0.434 137 T N 5.335 119.784 114.554 -0.176 0.000 2.933 137 T HA 0.772 5.122 4.350 0.000 0.000 0.305 137 T C -1.347 173.303 174.700 -0.084 0.000 1.092 137 T CA -0.227 61.751 62.100 -0.204 0.000 1.008 137 T CB 0.589 69.359 68.868 -0.165 0.000 1.102 137 T HN 0.505 nan 8.240 nan 0.000 0.469 138 F N 1.122 120.903 119.950 -0.282 0.000 2.741 138 F HA 0.785 5.312 4.527 0.000 0.000 0.311 138 F C -1.197 174.455 175.800 -0.246 0.000 1.149 138 F CA -1.167 56.676 58.000 -0.261 0.000 0.930 138 F CB 1.148 39.973 39.000 -0.292 0.000 1.312 138 F HN 0.564 nan 8.300 nan 0.000 0.450 139 E N 0.146 120.343 120.200 -0.005 0.000 2.392 139 E HA 0.716 5.066 4.350 0.000 0.000 0.269 139 E C -1.346 175.244 176.600 -0.018 0.000 0.924 139 E CA -0.960 55.376 56.400 -0.106 0.000 0.784 139 E CB 2.652 32.284 29.700 -0.114 0.000 1.292 139 E HN 0.841 nan 8.360 nan 0.000 0.447 140 T N -2.040 112.376 114.554 -0.230 0.000 2.768 140 T HA 0.290 4.640 4.350 0.000 0.000 0.268 140 T C 1.062 175.161 174.700 -1.002 0.000 0.969 140 T CA -0.736 61.016 62.100 -0.581 0.000 1.008 140 T CB 1.355 70.062 68.868 -0.269 0.000 1.371 140 T HN 0.589 nan 8.240 nan 0.000 0.587 141 K N 0.175 119.806 120.400 -1.282 0.000 2.044 141 K HA -0.167 4.153 4.320 0.000 0.000 0.210 141 K C 0.969 177.390 176.600 -0.299 0.000 1.049 141 K CA 2.151 57.997 56.287 -0.736 0.000 0.927 141 K CB -0.205 32.110 32.500 -0.308 0.000 0.713 141 K HN 0.572 nan 8.250 nan 0.000 0.443 142 D N -0.721 119.530 120.400 -0.248 0.000 2.449 142 D HA 0.139 4.779 4.640 0.000 0.000 0.210 142 D C 0.203 176.348 176.300 -0.258 0.000 1.094 142 D CA 0.149 54.045 54.000 -0.173 0.000 0.846 142 D CB 0.801 41.563 40.800 -0.064 0.000 1.003 142 D HN 0.132 nan 8.370 nan 0.000 0.504 143 L N 0.360 121.396 121.223 -0.313 0.000 2.301 143 L HA 0.456 4.796 4.340 0.000 0.000 0.264 143 L C -0.062 176.613 176.870 -0.326 0.000 1.016 143 L CA -0.800 53.828 54.840 -0.353 0.000 0.821 143 L CB 2.135 43.948 42.059 -0.410 0.000 1.346 143 L HN -0.198 nan 8.230 nan 0.000 0.429 144 S N 0.047 115.529 115.700 -0.363 0.000 2.541 144 S HA 0.837 5.307 4.470 0.000 0.000 0.280 144 S C -1.066 173.201 174.600 -0.555 0.000 1.112 144 S CA -0.677 57.271 58.200 -0.419 0.000 0.925 144 S CB 2.042 65.058 63.200 -0.307 0.000 1.067 144 S HN 0.258 nan 8.310 nan 0.000 0.479 145 V N 3.453 122.873 119.914 -0.824 0.000 2.604 145 V HA 0.643 4.763 4.120 0.000 0.000 0.305 145 V C -0.542 175.071 176.094 -0.802 0.000 1.043 145 V CA -0.762 60.962 62.300 -0.960 0.000 0.888 145 V CB 1.665 32.488 31.823 -1.666 0.000 0.995 145 V HN 0.997 nan 8.190 nan 0.000 0.429 146 I N 4.902 125.084 120.570 -0.648 0.000 2.498 146 I HA 0.616 4.786 4.170 0.000 0.000 0.290 146 I C -1.269 174.415 176.117 -0.723 0.000 1.032 146 I CA -0.628 60.286 61.300 -0.643 0.000 1.073 146 I CB 1.560 39.169 38.000 -0.651 0.000 1.251 146 I HN 0.570 nan 8.210 nan 0.000 0.426 147 I N 7.863 128.042 120.570 -0.651 0.000 2.382 147 I HA 0.322 4.492 4.170 0.000 0.000 0.286 147 I C -0.844 174.948 176.117 -0.542 0.000 1.002 147 I CA -0.512 60.414 61.300 -0.624 0.000 1.135 147 I CB 1.173 38.794 38.000 -0.632 0.000 1.288 147 I HN 0.483 nan 8.210 nan 0.000 0.448 148 Y N 3.246 123.320 120.300 -0.377 0.000 2.286 148 Y HA 0.288 4.838 4.550 0.000 0.000 0.347 148 Y C 1.776 177.619 175.900 -0.094 0.000 1.351 148 Y CA 0.302 58.117 58.100 -0.475 0.000 1.640 148 Y CB 0.253 38.340 38.460 -0.623 0.000 1.560 148 Y HN 0.630 nan 8.280 nan 0.000 0.574 149 G N 0.593 109.541 108.800 0.247 0.000 2.529 149 G HA2 -0.339 3.622 3.960 0.000 0.000 0.219 149 G HA3 -0.339 3.622 3.960 0.000 0.000 0.219 149 G C 1.045 176.032 174.900 0.145 0.000 1.177 149 G CA 1.298 46.546 45.100 0.247 0.000 0.773 149 G HN 0.709 nan 8.290 nan 0.000 0.573 150 N N -0.893 117.868 118.700 0.102 0.000 2.362 150 N HA 0.059 4.799 4.740 0.000 0.000 0.204 150 N C 0.687 176.296 175.510 0.165 0.000 1.166 150 N CA -0.229 52.866 53.050 0.074 0.000 0.831 150 N CB -0.429 38.078 38.487 0.033 0.000 1.008 150 N HN 0.329 nan 8.380 nan 0.000 0.472 151 F N -0.796 119.152 119.950 -0.003 0.000 2.840 151 F HA -0.284 4.243 4.527 0.000 0.000 0.310 151 F C 0.317 176.133 175.800 0.027 0.000 0.688 151 F CA 0.390 58.395 58.000 0.008 0.000 1.286 151 F CB -1.324 37.663 39.000 -0.021 0.000 1.612 151 F HN 0.130 nan 8.300 nan 0.000 0.335 152 K N 2.145 122.597 120.400 0.087 0.000 2.466 152 K HA 0.246 4.566 4.320 0.000 0.000 0.278 152 K C -0.318 176.259 176.600 -0.038 0.000 1.048 152 K CA 0.950 57.276 56.287 0.065 0.000 1.088 152 K CB 0.450 32.997 32.500 0.078 0.000 0.884 152 K HN 0.180 nan 8.250 nan 0.000 0.478 153 T N 6.290 120.792 114.554 -0.086 0.000 2.807 153 T HA 0.470 4.820 4.350 0.000 0.000 0.279 153 T C -0.640 173.944 174.700 -0.192 0.000 0.993 153 T CA -0.771 61.196 62.100 -0.221 0.000 0.970 153 T CB 0.881 69.622 68.868 -0.212 0.000 0.950 153 T HN 0.506 nan 8.240 nan 0.000 0.441 154 R N 1.840 122.181 120.500 -0.264 0.000 2.561 154 R HA 0.637 4.977 4.340 0.000 0.000 0.297 154 R C -1.366 174.732 176.300 -0.337 0.000 0.969 154 R CA -0.729 55.225 56.100 -0.243 0.000 0.879 154 R CB 2.116 32.316 30.300 -0.166 0.000 1.178 154 R HN 0.366 nan 8.270 nan 0.000 0.445 155 V N 2.850 122.565 119.914 -0.333 0.000 2.357 155 V HA 0.348 4.468 4.120 0.000 0.000 0.284 155 V C -0.066 175.822 176.094 -0.343 0.000 1.018 155 V CA -0.465 61.611 62.300 -0.372 0.000 0.841 155 V CB 1.744 33.352 31.823 -0.359 0.000 0.991 155 V HN 0.742 nan 8.190 nan 0.000 0.437 156 T N 5.044 119.393 114.554 -0.342 0.000 2.829 156 T HA 0.445 4.796 4.350 0.000 0.000 0.280 156 T C -0.080 174.435 174.700 -0.308 0.000 0.999 156 T CA -0.560 61.363 62.100 -0.296 0.000 0.983 156 T CB 1.415 70.134 68.868 -0.248 0.000 0.968 156 T HN 0.657 nan 8.240 nan 0.000 0.446 157 R N 2.337 122.669 120.500 -0.280 0.000 2.267 157 R HA 0.227 4.567 4.340 0.000 0.000 0.319 157 R C 1.131 177.320 176.300 -0.184 0.000 1.067 157 R CA -0.301 55.643 56.100 -0.259 0.000 0.936 157 R CB 0.319 30.504 30.300 -0.192 0.000 1.006 157 R HN 0.611 nan 8.270 nan 0.000 0.452 158 K N 1.439 121.733 120.400 -0.176 0.000 2.147 158 K HA -0.143 4.177 4.320 0.000 0.000 0.205 158 K C 1.900 178.446 176.600 -0.091 0.000 1.049 158 K CA 1.837 58.045 56.287 -0.132 0.000 0.936 158 K CB 0.071 32.497 32.500 -0.123 0.000 0.722 158 K HN 0.709 nan 8.250 nan 0.000 0.446 159 S N 1.830 117.486 115.700 -0.073 0.000 2.368 159 S HA -0.150 4.320 4.470 0.000 0.000 0.225 159 S C 1.376 175.950 174.600 -0.043 0.000 1.030 159 S CA 1.664 59.838 58.200 -0.044 0.000 0.999 159 S CB -0.198 62.990 63.200 -0.021 0.000 0.844 159 S HN 0.405 nan 8.310 nan 0.000 0.459 160 D N -0.918 119.450 120.400 -0.053 0.000 2.503 160 D HA 0.275 4.915 4.640 0.000 0.000 0.218 160 D C 1.218 177.476 176.300 -0.071 0.000 1.183 160 D CA 0.319 54.289 54.000 -0.050 0.000 0.827 160 D CB -0.464 40.316 40.800 -0.034 0.000 1.034 160 D HN 0.574 nan 8.370 nan 0.000 0.510 161 G N 1.322 110.067 108.800 -0.091 0.000 2.187 161 G HA2 -0.382 3.579 3.960 0.000 0.000 0.261 161 G HA3 -0.382 3.579 3.960 0.000 0.000 0.261 161 G C 0.187 175.009 174.900 -0.130 0.000 1.000 161 G CA 0.565 45.599 45.100 -0.109 0.000 0.718 161 G HN 0.607 nan 8.290 nan 0.000 0.519 162 K N 0.434 120.751 120.400 -0.140 0.000 2.339 162 K HA 0.469 4.789 4.320 0.000 0.000 0.286 162 K C 0.684 177.141 176.600 -0.239 0.000 1.050 162 K CA -0.675 55.507 56.287 -0.174 0.000 0.956 162 K CB 0.728 33.135 32.500 -0.155 0.000 0.990 162 K HN -0.006 nan 8.250 nan 0.000 0.475 163 V N 7.039 126.801 119.914 -0.254 0.000 2.421 163 V HA -0.038 4.083 4.120 0.000 0.000 0.271 163 V C 1.085 176.940 176.094 -0.398 0.000 1.031 163 V CA 0.091 62.222 62.300 -0.282 0.000 1.032 163 V CB 0.573 32.263 31.823 -0.221 0.000 1.009 163 V HN 0.799 nan 8.190 nan 0.000 0.477 164 I N 4.286 124.607 120.570 -0.415 0.000 2.867 164 I HA 0.235 4.405 4.170 0.000 0.000 0.265 164 I C 0.573 176.466 176.117 -0.374 0.000 1.162 164 I CA 1.099 62.073 61.300 -0.544 0.000 1.471 164 I CB 0.117 37.912 38.000 -0.341 0.000 1.123 164 I HN 0.573 nan 8.210 nan 0.000 0.440 165 M N -0.273 119.121 119.600 -0.342 0.000 2.520 165 M HA 0.370 4.850 4.480 0.000 0.000 0.280 165 M C -1.880 174.281 176.300 -0.231 0.000 1.232 165 M CA -0.381 54.727 55.300 -0.320 0.000 0.892 165 M CB 2.451 34.583 32.600 -0.780 0.000 1.728 165 M HN -0.096 nan 8.290 nan 0.000 0.475 166 E N 2.441 122.571 120.200 -0.116 0.000 2.291 166 E HA 0.288 4.639 4.350 0.000 0.000 0.276 166 E C -1.268 175.286 176.600 -0.077 0.000 0.896 166 E CA -0.667 55.688 56.400 -0.075 0.000 0.774 166 E CB 1.789 31.526 29.700 0.062 0.000 1.227 166 E HN 0.814 nan 8.360 nan 0.000 0.413 167 N N 1.903 120.555 118.700 -0.080 0.000 2.327 167 N HA 0.118 4.858 4.740 0.000 0.000 0.257 167 N C -0.601 174.929 175.510 0.034 0.000 1.281 167 N CA -0.304 52.743 53.050 -0.004 0.000 0.942 167 N CB 0.561 39.088 38.487 0.067 0.000 1.199 167 N HN 0.367 nan 8.380 nan 0.000 0.532 168 D N -2.093 118.350 120.400 0.071 0.000 2.181 168 D HA 0.319 4.959 4.640 0.000 0.000 0.248 168 D C -1.209 175.119 176.300 0.046 0.000 1.020 168 D CA -0.422 53.607 54.000 0.049 0.000 0.891 168 D CB 1.021 41.854 40.800 0.055 0.000 1.187 168 D HN 0.495 nan 8.370 nan 0.000 0.443 169 E N 1.174 121.385 120.200 0.020 0.000 2.238 169 E HA 0.473 4.823 4.350 0.000 0.000 0.267 169 E C -1.311 175.285 176.600 -0.006 0.000 0.887 169 E CA -1.181 55.225 56.400 0.010 0.000 0.769 169 E CB 2.691 32.389 29.700 -0.003 0.000 1.187 169 E HN 0.202 nan 8.360 nan 0.000 0.416 170 V N 2.184 122.092 119.914 -0.010 0.000 2.483 170 V HA 0.644 4.764 4.120 0.000 0.000 0.295 170 V C 0.151 176.233 176.094 -0.020 0.000 1.035 170 V CA -0.234 62.052 62.300 -0.022 0.000 0.896 170 V CB 1.533 33.334 31.823 -0.036 0.000 0.986 170 V HN 0.754 nan 8.190 nan 0.000 0.447 171 G N 3.899 112.686 108.800 -0.022 0.000 2.537 171 G HA2 0.567 4.527 3.960 0.000 0.000 0.273 171 G HA3 0.567 4.527 3.960 0.000 0.000 0.273 171 G C -0.034 174.853 174.900 -0.021 0.000 1.189 171 G CA 0.342 45.429 45.100 -0.021 0.000 0.881 171 G HN 1.075 nan 8.290 nan 0.000 0.535 172 T N -2.809 111.733 114.554 -0.019 0.000 2.910 172 T HA 0.613 4.963 4.350 0.000 0.000 0.287 172 T C 1.542 176.232 174.700 -0.017 0.000 1.050 172 T CA 0.242 62.330 62.100 -0.019 0.000 1.011 172 T CB 1.514 70.372 68.868 -0.016 0.000 1.195 172 T HN 0.893 nan 8.240 nan 0.000 0.540 173 A N 1.089 123.899 122.820 -0.017 0.000 1.892 173 A HA 0.055 4.375 4.320 0.000 0.000 0.218 173 A C 1.984 179.560 177.584 -0.014 0.000 1.188 173 A CA 2.375 54.403 52.037 -0.015 0.000 0.631 173 A CB -1.071 17.919 19.000 -0.015 0.000 0.822 173 A HN 1.714 nan 8.150 nan 0.000 0.447 174 S N -3.852 111.841 115.700 -0.012 0.000 2.927 174 S HA 0.216 4.687 4.470 0.000 0.000 0.246 174 S C 0.440 175.035 174.600 -0.008 0.000 0.907 174 S CA 0.462 58.656 58.200 -0.010 0.000 1.326 174 S CB -0.169 63.025 63.200 -0.009 0.000 1.216 174 S HN 0.213 nan 8.310 nan 0.000 0.652 175 S N 1.767 117.462 115.700 -0.008 0.000 2.568 175 S HA 0.662 5.132 4.470 0.000 0.000 0.232 175 S C 0.924 175.522 174.600 -0.004 0.000 0.975 175 S CA 0.155 58.353 58.200 -0.004 0.000 0.949 175 S CB 0.366 63.565 63.200 -0.002 0.000 0.829 175 S HN 1.480 nan 8.310 nan 0.000 0.479 176 G N 2.035 110.830 108.800 -0.009 0.000 2.746 176 G HA2 -0.187 3.773 3.960 0.000 0.000 0.685 176 G HA3 -0.187 3.773 3.960 0.000 0.000 0.685 176 G C -0.933 173.960 174.900 -0.013 0.000 1.350 176 G CA -1.117 43.975 45.100 -0.012 0.000 0.837 176 G HN 0.433 nan 8.290 nan 0.000 0.564 177 N N 0.947 119.636 118.700 -0.018 0.000 2.520 177 N HA 0.462 5.202 4.740 0.000 0.000 0.273 177 N C -0.109 175.397 175.510 -0.007 0.000 1.155 177 N CA -0.306 52.733 53.050 -0.017 0.000 0.967 177 N CB 0.691 39.161 38.487 -0.028 0.000 1.092 177 N HN 0.389 nan 8.380 nan 0.000 0.457 178 K N 1.434 121.834 120.400 0.000 0.000 2.206 178 K HA 0.263 4.583 4.320 0.000 0.000 0.264 178 K C -0.853 175.763 176.600 0.027 0.000 0.967 178 K CA -0.572 55.724 56.287 0.014 0.000 0.844 178 K CB 1.606 34.119 32.500 0.021 0.000 1.099 178 K HN 0.523 nan 8.250 nan 0.000 0.441 179 C N 4.418 123.746 119.300 0.046 0.000 2.349 179 C HA 0.256 4.717 4.460 0.000 0.000 0.348 179 C C 1.277 176.329 174.990 0.104 0.000 1.223 179 C CA -0.491 58.575 59.018 0.081 0.000 1.746 179 C CB -0.815 27.001 27.740 0.127 0.000 2.360 179 C HN 0.736 nan 8.230 nan 0.000 0.533 180 R N 3.426 123.981 120.500 0.092 0.000 2.319 180 R HA 0.056 4.396 4.340 0.000 0.000 0.204 180 R C 2.097 178.514 176.300 0.195 0.000 0.954 180 R CA 0.653 56.811 56.100 0.098 0.000 1.066 180 R CB -0.029 30.278 30.300 0.011 0.000 0.991 180 R HN 0.988 nan 8.270 nan 0.000 0.486 181 G N 1.039 109.980 108.800 0.235 0.000 2.450 181 G HA2 -0.146 3.814 3.960 0.000 0.000 0.220 181 G HA3 -0.146 3.814 3.960 0.000 0.000 0.220 181 G C 0.632 175.759 174.900 0.378 0.000 1.130 181 G CA 0.475 45.785 45.100 0.349 0.000 0.760 181 G HN 0.136 nan 8.290 nan 0.000 0.557 182 L N 0.554 121.915 121.223 0.230 0.000 2.342 182 L HA 0.595 4.935 4.340 0.000 0.000 0.276 182 L C -0.571 176.505 176.870 0.344 0.000 0.997 182 L CA -0.308 54.624 54.840 0.153 0.000 0.838 182 L CB 1.870 43.851 42.059 -0.130 0.000 1.224 182 L HN 0.036 nan 8.230 nan 0.000 0.416 183 M N 4.558 124.429 119.600 0.453 0.000 2.518 183 M HA 0.642 5.123 4.480 0.000 0.000 0.300 183 M C -1.183 175.575 176.300 0.763 0.000 1.175 183 M CA -0.597 55.002 55.300 0.498 0.000 0.890 183 M CB 2.755 35.516 32.600 0.268 0.000 1.710 183 M HN 0.443 nan 8.290 nan 0.000 0.453 184 F N -0.770 119.529 119.950 0.581 0.000 2.654 184 F HA 0.770 5.297 4.527 0.000 0.000 0.308 184 F C -1.526 174.347 175.800 0.122 0.000 1.108 184 F CA -1.293 56.930 58.000 0.372 0.000 0.957 184 F CB 0.577 39.657 39.000 0.133 0.000 1.309 184 F HN 0.211 nan 8.300 nan 0.000 0.446 185 V N 2.229 121.959 119.914 -0.307 0.000 2.555 185 V HA 0.078 4.198 4.120 0.000 0.000 0.286 185 V C 0.199 176.267 176.094 -0.043 0.000 1.044 185 V CA -0.174 61.761 62.300 -0.608 0.000 1.026 185 V CB 0.761 32.074 31.823 -0.850 0.000 0.981 185 V HN 0.842 nan 8.190 nan 0.000 0.480 186 D N 3.700 124.103 120.400 0.005 0.000 2.662 186 D HA -0.086 4.555 4.640 0.000 0.000 0.233 186 D C 1.112 177.474 176.300 0.102 0.000 1.129 186 D CA 0.139 54.288 54.000 0.249 0.000 0.851 186 D CB 0.617 41.478 40.800 0.101 0.000 1.152 186 D HN 0.358 nan 8.370 nan 0.000 0.507 187 R N 3.052 123.634 120.500 0.137 0.000 2.328 187 R HA 0.067 4.407 4.340 0.000 0.000 0.207 187 R C 1.690 177.910 176.300 -0.133 0.000 1.056 187 R CA 0.271 56.364 56.100 -0.011 0.000 1.016 187 R CB -0.196 30.100 30.300 -0.006 0.000 0.872 187 R HN 0.555 nan 8.270 nan 0.000 0.471 188 L N -1.141 119.917 121.223 -0.275 0.000 2.291 188 L HA -0.113 4.227 4.340 0.000 0.000 0.214 188 L C 0.794 177.273 176.870 -0.651 0.000 1.120 188 L CA 1.082 55.591 54.840 -0.552 0.000 0.799 188 L CB -0.035 41.493 42.059 -0.884 0.000 0.925 188 L HN 0.244 nan 8.230 nan 0.000 0.446 189 Y N -1.713 118.550 120.300 -0.061 0.000 2.452 189 Y HA 0.459 5.009 4.550 0.000 0.000 0.262 189 Y C 1.015 176.834 175.900 -0.135 0.000 1.089 189 Y CA -0.155 57.887 58.100 -0.096 0.000 1.262 189 Y CB 0.551 38.934 38.460 -0.128 0.000 1.236 189 Y HN -0.059 nan 8.280 nan 0.000 0.512 190 G N -0.325 108.442 108.800 -0.056 0.000 2.548 190 G HA2 0.319 4.279 3.960 0.000 0.000 0.301 190 G HA3 0.319 4.279 3.960 0.000 0.000 0.301 190 G C -0.834 173.944 174.900 -0.203 0.000 1.349 190 G CA -0.706 44.301 45.100 -0.155 0.000 0.792 190 G HN -0.003 nan 8.290 nan 0.000 0.481 191 N N -0.740 117.770 118.700 -0.317 0.000 2.143 191 N HA 0.433 5.173 4.740 0.000 0.000 0.222 191 N C 0.658 175.978 175.510 -0.317 0.000 1.264 191 N CA 0.219 53.042 53.050 -0.378 0.000 0.897 191 N CB 1.585 39.615 38.487 -0.762 0.000 1.092 191 N HN 0.766 nan 8.380 nan 0.000 0.516 192 A N 1.235 123.899 122.820 -0.261 0.000 2.346 192 A HA 0.609 4.929 4.320 0.000 0.000 0.252 192 A C 0.185 177.876 177.584 0.178 0.000 1.089 192 A CA -0.262 51.762 52.037 -0.021 0.000 0.797 192 A CB 0.024 19.098 19.000 0.123 0.000 1.047 192 A HN 0.335 nan 8.150 nan 0.000 0.494 193 I N -3.278 117.566 120.570 0.456 0.000 3.042 193 I HA 0.938 5.108 4.170 0.000 0.000 0.310 193 I C -0.377 176.190 176.117 0.749 0.000 1.117 193 I CA -1.020 60.661 61.300 0.634 0.000 1.003 193 I CB 2.240 40.513 38.000 0.456 0.000 1.228 193 I HN 0.961 nan 8.210 nan 0.000 0.443 194 A N 2.063 125.308 122.820 0.708 0.000 2.601 194 A HA 0.819 5.139 4.320 0.000 0.000 0.291 194 A C -1.270 176.672 177.584 0.596 0.000 1.075 194 A CA -0.446 51.882 52.037 0.486 0.000 0.671 194 A CB 1.609 20.610 19.000 0.001 0.000 1.277 194 A HN 0.916 nan 8.150 nan 0.000 0.417 195 S N -0.321 115.712 115.700 0.555 0.000 2.566 195 S HA 0.637 5.107 4.470 0.000 0.000 0.273 195 S C -1.674 173.330 174.600 0.673 0.000 1.157 195 S CA -0.333 58.279 58.200 0.686 0.000 0.938 195 S CB 1.322 65.080 63.200 0.931 0.000 1.087 195 S HN 1.464 nan 8.310 nan 0.000 0.474 196 V N 5.138 125.355 119.914 0.505 0.000 2.540 196 V HA 0.572 4.692 4.120 0.000 0.000 0.302 196 V C -0.128 176.171 176.094 0.342 0.000 1.035 196 V CA -0.824 61.741 62.300 0.441 0.000 0.873 196 V CB 1.727 33.678 31.823 0.213 0.000 0.992 196 V HN 0.927 nan 8.190 nan 0.000 0.428 197 N N 2.180 121.094 118.700 0.356 0.000 2.362 197 N HA 0.460 5.201 4.740 0.000 0.000 0.299 197 N C -0.861 174.709 175.510 0.100 0.000 1.170 197 N CA -1.033 52.108 53.050 0.153 0.000 0.825 197 N CB 2.123 40.657 38.487 0.078 0.000 1.299 197 N HN 0.544 nan 8.380 nan 0.000 0.502 198 K N 1.318 121.701 120.400 -0.029 0.000 2.401 198 K HA 0.053 4.373 4.320 0.000 0.000 0.278 198 K C -0.599 175.805 176.600 -0.327 0.000 1.018 198 K CA 0.108 56.247 56.287 -0.248 0.000 0.981 198 K CB 0.291 32.559 32.500 -0.386 0.000 0.933 198 K HN 0.406 nan 8.250 nan 0.000 0.477 199 N N 2.962 121.432 118.700 -0.383 0.000 2.442 199 N HA 0.181 4.921 4.740 0.000 0.000 0.274 199 N C -1.188 174.192 175.510 -0.218 0.000 1.002 199 N CA -0.552 52.465 53.050 -0.056 0.000 0.910 199 N CB 0.551 39.083 38.487 0.075 0.000 1.244 199 N HN 0.323 nan 8.380 nan 0.000 0.492 200 F N 2.816 122.920 119.950 0.257 0.000 2.837 200 F HA 0.289 4.816 4.527 0.000 0.000 0.298 200 F C 1.932 177.825 175.800 0.155 0.000 1.161 200 F CA -0.504 57.600 58.000 0.173 0.000 1.353 200 F CB 0.207 39.304 39.000 0.162 0.000 0.951 200 F HN 0.514 nan 8.300 nan 0.000 0.508 201 R N -0.512 120.162 120.500 0.289 0.000 2.105 201 R HA -0.158 4.182 4.340 0.000 0.000 0.239 201 R C 0.927 177.309 176.300 0.137 0.000 1.135 201 R CA 1.774 58.002 56.100 0.214 0.000 0.967 201 R CB -0.497 29.920 30.300 0.195 0.000 0.861 201 R HN 0.106 nan 8.270 nan 0.000 0.442 202 N N 1.002 119.777 118.700 0.125 0.000 2.398 202 N HA -0.029 4.711 4.740 0.000 0.000 0.188 202 N C -0.525 175.049 175.510 0.107 0.000 1.122 202 N CA 0.316 53.419 53.050 0.089 0.000 0.866 202 N CB -0.053 38.472 38.487 0.064 0.000 0.970 202 N HN 0.337 nan 8.380 nan 0.000 0.462 203 D N 0.320 120.817 120.400 0.161 0.000 2.348 203 D HA 0.123 4.763 4.640 0.000 0.000 0.253 203 D C 0.892 177.246 176.300 0.089 0.000 1.161 203 D CA -0.145 53.944 54.000 0.148 0.000 0.876 203 D CB 1.503 42.433 40.800 0.216 0.000 1.160 203 D HN 0.097 nan 8.370 nan 0.000 0.459 204 A N 3.700 126.556 122.820 0.059 0.000 1.940 204 A HA -0.131 4.189 4.320 0.000 0.000 0.219 204 A C 2.089 179.690 177.584 0.029 0.000 1.176 204 A CA 1.321 53.380 52.037 0.037 0.000 0.631 204 A CB -0.219 18.797 19.000 0.026 0.000 0.814 204 A HN 0.530 nan 8.150 nan 0.000 0.446 205 V N -0.428 119.503 119.914 0.028 0.000 2.374 205 V HA -0.138 3.982 4.120 0.000 0.000 0.241 205 V C 2.342 178.454 176.094 0.030 0.000 1.034 205 V CA 1.950 64.261 62.300 0.020 0.000 1.037 205 V CB -0.632 31.196 31.823 0.009 0.000 0.682 205 V HN 0.490 nan 8.190 nan 0.000 0.463 206 K N -0.263 120.167 120.400 0.051 0.000 2.057 206 K HA -0.106 4.214 4.320 0.000 0.000 0.206 206 K C 0.664 177.296 176.600 0.053 0.000 1.050 206 K CA 0.743 57.080 56.287 0.082 0.000 0.935 206 K CB -0.185 32.401 32.500 0.144 0.000 0.715 206 K HN 0.392 nan 8.250 nan 0.000 0.439 207 Q N 1.284 121.131 119.800 0.077 0.000 2.423 207 Q HA -0.193 4.147 4.340 0.000 0.000 0.332 207 Q C -1.188 174.835 176.000 0.040 0.000 1.355 207 Q CA 0.333 56.170 55.803 0.058 0.000 0.947 207 Q CB -1.341 27.409 28.738 0.020 0.000 1.189 207 Q HN 0.377 nan 8.270 nan 0.000 0.418 208 E N -0.351 119.902 120.200 0.088 0.000 2.465 208 E HA 0.165 4.515 4.350 0.000 0.000 0.260 208 E C 0.622 177.201 176.600 -0.035 0.000 0.980 208 E CA 0.616 57.012 56.400 -0.007 0.000 0.927 208 E CB 0.597 30.335 29.700 0.062 0.000 0.934 208 E HN 0.406 nan 8.360 nan 0.000 0.459 209 G N 2.584 111.288 108.800 -0.159 0.000 2.452 209 G HA2 0.533 4.493 3.960 0.000 0.000 0.324 209 G HA3 0.533 4.493 3.960 0.000 0.000 0.324 209 G C -1.195 173.515 174.900 -0.317 0.000 1.214 209 G CA -0.602 44.416 45.100 -0.136 0.000 0.947 209 G HN 0.321 nan 8.290 nan 0.000 0.478 210 F N 0.769 120.544 119.950 -0.291 0.000 2.458 210 F HA 0.589 5.116 4.527 0.000 0.000 0.336 210 F C -0.385 175.200 175.800 -0.358 0.000 1.114 210 F CA -0.550 57.325 58.000 -0.208 0.000 0.987 210 F CB 2.061 40.966 39.000 -0.157 0.000 1.130 210 F HN 0.349 nan 8.300 nan 0.000 0.458 211 Y N 0.358 120.647 120.300 -0.018 0.000 2.605 211 Y HA 0.768 5.318 4.550 0.000 0.000 0.343 211 Y C 0.688 176.549 175.900 -0.066 0.000 1.036 211 Y CA -0.446 57.634 58.100 -0.033 0.000 1.065 211 Y CB 2.174 40.601 38.460 -0.055 0.000 1.288 211 Y HN 0.784 nan 8.280 nan 0.000 0.481 212 G N 0.532 109.440 108.800 0.180 0.000 2.785 212 G HA2 0.194 4.154 3.960 0.000 0.000 0.218 212 G HA3 0.194 4.154 3.960 0.000 0.000 0.218 212 G C 0.310 175.308 174.900 0.164 0.000 1.251 212 G CA 0.066 45.264 45.100 0.163 0.000 1.129 212 G HN 1.895 nan 8.290 nan 0.000 0.573 213 A N -0.285 122.642 122.820 0.178 0.000 2.832 213 A HA 0.357 4.677 4.320 0.000 0.000 0.280 213 A C 2.211 179.903 177.584 0.181 0.000 1.464 213 A CA 1.715 53.847 52.037 0.160 0.000 0.804 213 A CB -1.744 17.303 19.000 0.079 0.000 1.020 213 A HN 3.149 nan 8.150 nan 0.000 0.563 214 G N -0.962 107.980 108.800 0.237 0.000 2.634 214 G HA2 -0.380 3.580 3.960 0.000 0.000 0.318 214 G HA3 -0.380 3.580 3.960 0.000 0.000 0.318 214 G C 0.514 175.480 174.900 0.111 0.000 1.207 214 G CA 0.996 46.228 45.100 0.219 0.000 0.987 214 G HN 1.208 nan 8.290 nan 0.000 0.547 215 E N 0.012 120.270 120.200 0.096 0.000 2.476 215 E HA 0.388 4.738 4.350 0.000 0.000 0.196 215 E C 0.642 177.236 176.600 -0.011 0.000 1.029 215 E CA -0.208 56.201 56.400 0.014 0.000 0.896 215 E CB 0.691 30.385 29.700 -0.009 0.000 1.012 215 E HN 0.313 nan 8.360 nan 0.000 0.475 216 V N 3.043 122.980 119.914 0.037 0.000 2.694 216 V HA -0.074 4.047 4.120 0.000 0.000 0.306 216 V C 0.356 176.485 176.094 0.058 0.000 1.054 216 V CA 0.208 62.531 62.300 0.038 0.000 1.161 216 V CB 0.319 32.184 31.823 0.070 0.000 0.916 216 V HN 0.262 nan 8.190 nan 0.000 0.490 217 N N 2.781 121.523 118.700 0.070 0.000 2.430 217 N HA 0.469 5.209 4.740 0.000 0.000 0.292 217 N C -0.850 174.805 175.510 0.242 0.000 1.051 217 N CA -0.270 52.878 53.050 0.164 0.000 0.917 217 N CB 1.829 40.405 38.487 0.149 0.000 1.164 217 N HN 0.720 nan 8.380 nan 0.000 0.484 218 C N 1.985 121.466 119.300 0.302 0.000 2.481 218 C HA 0.380 4.840 4.460 0.000 0.000 0.324 218 C C -0.237 174.792 174.990 0.065 0.000 1.170 218 C CA -0.870 58.287 59.018 0.230 0.000 1.361 218 C CB 0.301 28.149 27.740 0.181 0.000 1.977 218 C HN 0.730 nan 8.230 nan 0.000 0.459 219 K N 3.707 124.034 120.400 -0.122 0.000 2.143 219 K HA 0.523 4.843 4.320 0.000 0.000 0.272 219 K C -1.716 174.865 176.600 -0.031 0.000 1.001 219 K CA -0.366 55.646 56.287 -0.458 0.000 0.915 219 K CB 1.009 33.157 32.500 -0.586 0.000 1.047 219 K HN 0.747 nan 8.250 nan 0.000 0.458 220 Y N 4.839 125.046 120.300 -0.155 0.000 2.331 220 Y HA 0.130 4.680 4.550 0.000 0.000 0.326 220 Y C 0.004 175.895 175.900 -0.015 0.000 1.020 220 Y CA -0.139 57.935 58.100 -0.043 0.000 1.136 220 Y CB 0.706 39.157 38.460 -0.015 0.000 1.157 220 Y HN 1.015 nan 8.280 nan 0.000 0.444 221 Q N 1.973 121.454 119.800 -0.532 0.000 1.959 221 Q HA -0.340 4.000 4.340 0.000 0.000 0.375 221 Q C -0.162 175.758 176.000 -0.133 0.000 0.685 221 Q CA 2.061 57.639 55.803 -0.374 0.000 0.942 221 Q CB -0.955 27.483 28.738 -0.501 0.000 2.698 221 Q HN 0.771 nan 8.270 nan 0.000 0.782 222 D N 0.550 120.930 120.400 -0.032 0.000 2.369 222 D HA 0.150 4.790 4.640 0.000 0.000 0.211 222 D C -0.153 176.325 176.300 0.297 0.000 1.077 222 D CA 0.591 54.673 54.000 0.137 0.000 0.842 222 D CB 0.527 41.413 40.800 0.143 0.000 0.947 222 D HN 0.170 nan 8.370 nan 0.000 0.509 223 T N 0.279 114.942 114.554 0.182 0.000 2.829 223 T HA 0.309 4.659 4.350 0.000 0.000 0.280 223 T C -0.443 174.278 174.700 0.034 0.000 0.999 223 T CA -0.520 61.722 62.100 0.235 0.000 0.983 223 T CB 1.403 70.471 68.868 0.333 0.000 0.968 223 T HN -0.152 nan 8.240 nan 0.000 0.446 224 Y N 3.055 123.396 120.300 0.068 0.000 2.359 224 Y HA 0.462 5.013 4.550 0.000 0.000 0.334 224 Y C 0.848 176.795 175.900 0.078 0.000 1.058 224 Y CA -0.830 57.307 58.100 0.061 0.000 1.244 224 Y CB 0.213 38.672 38.460 -0.001 0.000 1.187 224 Y HN 0.526 nan 8.280 nan 0.000 0.510 225 I N 0.474 121.153 120.570 0.182 0.000 3.100 225 I HA 0.421 4.592 4.170 0.000 0.000 0.312 225 I C 0.147 176.338 176.117 0.124 0.000 1.063 225 I CA -0.967 60.414 61.300 0.136 0.000 1.031 225 I CB 1.450 39.501 38.000 0.085 0.000 1.243 225 I HN 0.529 nan 8.210 nan 0.000 0.483 226 L N 1.132 122.416 121.223 0.102 0.000 2.200 226 L HA 0.329 4.669 4.340 0.000 0.000 0.200 226 L C 1.187 178.085 176.870 0.046 0.000 1.072 226 L CA 1.150 56.057 54.840 0.112 0.000 0.787 226 L CB -0.220 41.939 42.059 0.167 0.000 0.957 226 L HN 0.772 nan 8.230 nan 0.000 0.459 227 E N 0.279 120.444 120.200 -0.057 0.000 2.398 227 E HA 0.033 4.383 4.350 0.000 0.000 0.263 227 E C -0.316 176.163 176.600 -0.202 0.000 1.046 227 E CA -0.200 56.019 56.400 -0.302 0.000 0.908 227 E CB 0.460 29.923 29.700 -0.394 0.000 0.963 227 E HN 0.139 nan 8.360 nan 0.000 0.431 228 R N 2.671 123.028 120.500 -0.238 0.000 2.989 228 R HA 0.134 4.474 4.340 0.000 0.000 0.340 228 R C -0.380 175.825 176.300 -0.159 0.000 1.205 228 R CA -0.209 55.806 56.100 -0.142 0.000 1.235 228 R CB 0.463 30.722 30.300 -0.069 0.000 1.394 228 R HN 0.499 nan 8.270 nan 0.000 0.598 229 T N -2.980 111.470 114.554 -0.174 0.000 2.895 229 T HA 0.503 4.853 4.350 0.000 0.000 0.283 229 T C 0.929 175.490 174.700 -0.232 0.000 1.014 229 T CA 0.360 62.366 62.100 -0.157 0.000 1.037 229 T CB 1.832 70.728 68.868 0.046 0.000 1.006 229 T HN 0.523 nan 8.240 nan 0.000 0.468 230 G N 2.533 111.163 108.800 -0.283 0.000 2.176 230 G HA2 -0.147 3.813 3.960 0.000 0.000 0.252 230 G HA3 -0.147 3.813 3.960 0.000 0.000 0.252 230 G C 0.034 174.739 174.900 -0.324 0.000 1.024 230 G CA 0.494 45.441 45.100 -0.255 0.000 0.755 230 G HN 1.560 nan 8.290 nan 0.000 0.507 231 I N -3.556 116.783 120.570 -0.384 0.000 2.865 231 I HA 0.881 5.051 4.170 0.000 0.000 0.302 231 I C -0.022 175.977 176.117 -0.197 0.000 1.140 231 I CA -1.372 59.622 61.300 -0.512 0.000 1.021 231 I CB 2.326 39.793 38.000 -0.887 0.000 1.233 231 I HN 0.448 nan 8.210 nan 0.000 0.427 232 A N 6.570 129.469 122.820 0.131 0.000 2.252 232 A HA 0.821 5.141 4.320 0.000 0.000 0.309 232 A C -0.420 177.380 177.584 0.359 0.000 1.285 232 A CA -0.513 51.674 52.037 0.250 0.000 0.900 232 A CB 0.595 19.842 19.000 0.412 0.000 1.157 232 A HN 0.816 nan 8.150 nan 0.000 0.536 233 M N 1.231 120.922 119.600 0.152 0.000 2.662 233 M HA 0.577 5.057 4.480 0.000 0.000 0.310 233 M C -0.107 176.206 176.300 0.021 0.000 1.204 233 M CA -0.395 54.976 55.300 0.118 0.000 0.891 233 M CB 2.669 35.303 32.600 0.057 0.000 1.732 233 M HN 0.630 nan 8.290 nan 0.000 0.467 234 T N 0.646 115.168 114.554 -0.054 0.000 2.909 234 T HA 0.469 4.819 4.350 0.000 0.000 0.299 234 T C -1.438 173.168 174.700 -0.157 0.000 1.073 234 T CA -0.889 61.067 62.100 -0.240 0.000 0.999 234 T CB 1.042 69.697 68.868 -0.356 0.000 1.098 234 T HN 0.671 nan 8.240 nan 0.000 0.477 235 N N 3.352 121.931 118.700 -0.202 0.000 2.425 235 N HA 0.341 5.081 4.740 0.000 0.000 0.268 235 N C -1.648 173.841 175.510 -0.035 0.000 0.991 235 N CA -0.229 52.772 53.050 -0.082 0.000 0.931 235 N CB 1.330 39.788 38.487 -0.048 0.000 1.130 235 N HN 0.654 nan 8.380 nan 0.000 0.493 236 Y N 2.320 122.535 120.300 -0.141 0.000 2.477 236 Y HA 0.169 4.719 4.550 0.000 0.000 0.332 236 Y C -0.966 174.903 175.900 -0.051 0.000 1.151 236 Y CA -0.847 57.183 58.100 -0.115 0.000 1.349 236 Y CB 0.018 38.404 38.460 -0.124 0.000 1.108 236 Y HN 0.332 nan 8.280 nan 0.000 0.567 237 N N 3.557 122.150 118.700 -0.178 0.000 2.359 237 N HA -0.021 4.719 4.740 0.000 0.000 0.261 237 N C -1.234 174.196 175.510 -0.132 0.000 1.267 237 N CA 1.004 53.984 53.050 -0.117 0.000 0.864 237 N CB 0.104 38.533 38.487 -0.096 0.000 1.063 237 N HN 0.593 nan 8.380 nan 0.000 0.474 238 Y N 0.146 120.292 120.300 -0.256 0.000 2.512 238 Y HA 0.128 4.678 4.550 0.000 0.000 0.348 238 Y C -0.159 175.581 175.900 -0.267 0.000 0.990 238 Y CA -1.274 56.679 58.100 -0.245 0.000 1.033 238 Y CB 1.445 39.790 38.460 -0.192 0.000 1.259 238 Y HN 0.381 nan 8.280 nan 0.000 0.461 239 D N 2.795 122.971 120.400 -0.373 0.000 2.597 239 D HA -0.030 4.610 4.640 0.000 0.000 0.228 239 D C -0.511 175.803 176.300 0.022 0.000 1.120 239 D CA 0.484 54.402 54.000 -0.138 0.000 1.083 239 D CB -0.639 40.044 40.800 -0.196 0.000 1.116 239 D HN 0.375 nan 8.370 nan 0.000 0.487 240 N N 3.150 121.784 118.700 -0.110 0.000 3.271 240 N HA 0.094 4.834 4.740 0.000 0.000 0.303 240 N C -0.455 175.185 175.510 0.217 0.000 1.415 240 N CA -0.506 52.564 53.050 0.033 0.000 1.159 240 N CB -0.278 38.124 38.487 -0.141 0.000 1.432 240 N HN 0.437 nan 8.380 nan 0.000 0.521 241 L N 1.748 123.137 121.223 0.277 0.000 2.601 241 L HA -0.051 4.289 4.340 0.000 0.000 0.277 241 L C 0.629 177.656 176.870 0.262 0.000 1.219 241 L CA 0.823 55.841 54.840 0.297 0.000 0.915 241 L CB -0.081 42.116 42.059 0.229 0.000 1.160 241 L HN 0.708 nan 8.230 nan 0.000 0.494 242 N N 2.570 121.382 118.700 0.186 0.000 2.955 242 N HA -0.287 4.454 4.740 0.000 0.000 0.230 242 N C -0.528 175.107 175.510 0.208 0.000 0.891 242 N CA 0.849 53.937 53.050 0.064 0.000 1.002 242 N CB -0.543 38.031 38.487 0.146 0.000 1.063 242 N HN 0.793 nan 8.380 nan 0.000 0.601 243 Y N -2.410 118.045 120.300 0.258 0.000 4.879 243 Y HA -0.223 4.327 4.550 0.000 0.000 0.247 243 Y C 0.531 176.507 175.900 0.125 0.000 0.985 243 Y CA 1.195 59.401 58.100 0.176 0.000 2.000 243 Y CB -2.660 35.923 38.460 0.205 0.000 1.519 243 Y HN 0.652 nan 8.280 nan 0.000 0.613 244 N N -1.779 117.096 118.700 0.291 0.000 2.545 244 N HA 0.082 4.822 4.740 0.000 0.000 0.283 244 N C -0.462 175.198 175.510 0.249 0.000 1.596 244 N CA -0.285 52.905 53.050 0.233 0.000 0.862 244 N CB 0.200 38.837 38.487 0.250 0.000 1.422 244 N HN 0.048 nan 8.380 nan 0.000 0.489 245 Q N 0.285 120.226 119.800 0.233 0.000 2.304 245 Q HA -0.103 4.237 4.340 0.000 0.000 0.301 245 Q C 0.830 177.017 176.000 0.313 0.000 1.063 245 Q CA 0.109 56.080 55.803 0.281 0.000 0.947 245 Q CB 1.090 30.009 28.738 0.303 0.000 1.201 245 Q HN 0.557 nan 8.270 nan 0.000 0.389 246 W N 3.897 125.277 121.300 0.133 0.000 2.338 246 W HA -0.209 4.451 4.660 -0.000 0.000 0.304 246 W C 0.880 177.461 176.519 0.103 0.000 1.212 246 W CA 1.570 58.982 57.345 0.113 0.000 1.264 246 W CB 0.273 29.801 29.460 0.113 0.000 1.142 246 W HN 0.743 nan 8.180 nan 0.000 0.512 247 D N 0.626 121.133 120.400 0.178 0.000 2.384 247 D HA -0.195 4.445 4.640 0.000 0.000 0.222 247 D C 1.649 178.008 176.300 0.099 0.000 0.976 247 D CA 1.031 55.078 54.000 0.078 0.000 0.915 247 D CB -1.119 39.814 40.800 0.223 0.000 0.896 247 D HN 0.287 nan 8.370 nan 0.000 0.523 248 L N 0.073 121.310 121.223 0.023 0.000 2.628 248 L HA 0.180 4.520 4.340 0.000 0.000 0.229 248 L C 1.028 177.954 176.870 0.092 0.000 1.137 248 L CA -0.547 54.307 54.840 0.023 0.000 0.909 248 L CB -0.249 41.724 42.059 -0.144 0.000 1.137 248 L HN -0.031 nan 8.230 nan 0.000 0.470 249 R N 0.579 120.988 120.500 -0.152 0.000 2.594 249 R HA 0.319 4.659 4.340 0.000 0.000 0.272 249 R C -2.534 173.442 176.300 -0.540 0.000 1.074 249 R CA -1.611 54.276 56.100 -0.354 0.000 1.105 249 R CB -0.634 29.256 30.300 -0.683 0.000 1.008 249 R HN -0.181 nan 8.270 nan 0.000 0.472 250 P HA 0.137 nan 4.420 nan 0.000 0.270 250 P C -2.448 174.268 177.300 -0.973 0.000 1.223 250 P CA -1.357 60.826 63.100 -1.529 0.000 0.785 250 P CB -0.094 31.067 31.700 -0.899 0.000 0.923 251 P HA -0.025 nan 4.420 nan 0.000 0.262 251 P C -0.461 176.605 177.300 -0.391 0.000 1.182 251 P CA 0.666 63.333 63.100 -0.721 0.000 0.761 251 P CB -0.413 30.895 31.700 -0.653 0.000 0.795 252 H N -1.883 117.073 119.070 -0.190 0.000 2.820 252 H HA -0.253 4.304 4.556 0.000 0.000 0.295 252 H C 0.294 175.582 175.328 -0.068 0.000 1.187 252 H CA 0.323 56.311 56.048 -0.100 0.000 1.144 252 H CB -2.413 27.308 29.762 -0.068 0.000 1.354 252 H HN 0.606 nan 8.280 nan 0.000 0.395 253 H N 1.095 120.086 119.070 -0.132 0.000 2.848 253 H HA 0.291 4.847 4.556 0.000 0.000 0.317 253 H C -0.193 175.154 175.328 0.030 0.000 1.046 253 H CA -0.082 55.915 56.048 -0.085 0.000 1.470 253 H CB 0.623 30.269 29.762 -0.193 0.000 1.483 253 H HN 0.269 nan 8.280 nan 0.000 0.548 254 D N 3.178 123.319 120.400 -0.431 0.000 2.256 254 D HA 0.503 5.143 4.640 0.000 0.000 0.246 254 D C 0.300 176.465 176.300 -0.225 0.000 1.042 254 D CA 0.918 54.815 54.000 -0.172 0.000 0.841 254 D CB 1.649 42.407 40.800 -0.068 0.000 1.223 254 D HN 0.981 nan 8.370 nan 0.000 0.470 255 G N 1.124 109.973 108.800 0.081 0.000 2.632 255 G HA2 0.157 4.117 3.960 0.000 0.000 0.224 255 G HA3 0.157 4.117 3.960 0.000 0.000 0.224 255 G C -0.071 175.026 174.900 0.328 0.000 1.341 255 G CA -0.459 44.719 45.100 0.130 0.000 0.880 255 G HN 0.828 nan 8.290 nan 0.000 0.566 256 A N -0.775 122.213 122.820 0.280 0.000 2.511 256 A HA 0.528 4.848 4.320 0.000 0.000 0.242 256 A C 0.327 178.270 177.584 0.599 0.000 1.069 256 A CA 0.763 53.011 52.037 0.353 0.000 0.763 256 A CB 0.715 19.853 19.000 0.230 0.000 1.001 256 A HN 2.027 nan 8.150 nan 0.000 0.498 257 L N 3.352 124.932 121.223 0.596 0.000 2.257 257 L HA 0.322 4.662 4.340 0.000 0.000 0.290 257 L C -0.084 176.965 176.870 0.298 0.000 1.044 257 L CA 0.102 55.182 54.840 0.400 0.000 0.810 257 L CB 0.302 42.556 42.059 0.326 0.000 1.193 257 L HN 0.776 nan 8.230 nan 0.000 0.425 258 N N 5.632 124.488 118.700 0.260 0.000 2.508 258 N HA 0.447 5.187 4.740 0.000 0.000 0.285 258 N C -2.518 173.101 175.510 0.181 0.000 1.144 258 N CA -1.483 51.708 53.050 0.235 0.000 0.978 258 N CB 0.653 39.288 38.487 0.247 0.000 1.180 258 N HN 0.442 nan 8.380 nan 0.000 0.484 259 P HA 0.069 nan 4.420 nan 0.000 0.265 259 P C -0.976 176.432 177.300 0.179 0.000 1.193 259 P CA 0.682 63.886 63.100 0.173 0.000 0.765 259 P CB 0.600 32.386 31.700 0.144 0.000 0.823 260 D N 0.287 120.656 120.400 -0.052 0.000 2.738 260 D HA 0.038 4.678 4.640 0.000 0.000 0.308 260 D C 0.340 176.434 176.300 -0.344 0.000 1.311 260 D CA -0.409 53.477 54.000 -0.190 0.000 0.799 260 D CB 0.234 40.788 40.800 -0.411 0.000 1.332 260 D HN 0.297 nan 8.370 nan 0.000 0.441 261 Y N 0.248 120.439 120.300 -0.182 0.000 2.421 261 Y HA -0.057 4.493 4.550 0.000 0.000 0.292 261 Y C 1.359 177.273 175.900 0.024 0.000 1.136 261 Y CA 1.116 59.203 58.100 -0.022 0.000 1.255 261 Y CB -0.890 37.621 38.460 0.084 0.000 0.991 261 Y HN 0.353 nan 8.280 nan 0.000 0.552 262 Y N -0.052 120.139 120.300 -0.181 0.000 2.495 262 Y HA 0.536 5.086 4.550 0.000 0.000 0.293 262 Y C -0.442 175.468 175.900 0.018 0.000 1.186 262 Y CA -1.854 56.233 58.100 -0.022 0.000 1.266 262 Y CB -0.824 37.650 38.460 0.023 0.000 1.101 262 Y HN 0.012 nan 8.280 nan 0.000 0.517 263 I N 4.424 124.917 120.570 -0.129 0.000 2.406 263 I HA 0.366 4.536 4.170 0.000 0.000 0.290 263 I C -2.306 173.775 176.117 -0.058 0.000 0.999 263 I CA -2.543 58.721 61.300 -0.060 0.000 1.124 263 I CB 2.093 40.024 38.000 -0.115 0.000 1.289 263 I HN -0.091 nan 8.210 nan 0.000 0.441 264 P HA 0.286 nan 4.420 nan 0.000 0.274 264 P C -0.782 176.459 177.300 -0.099 0.000 1.246 264 P CA -0.321 62.742 63.100 -0.062 0.000 0.795 264 P CB 1.310 32.990 31.700 -0.034 0.000 1.006 265 M N 0.053 119.599 119.600 -0.089 0.000 2.461 265 M HA 0.248 4.728 4.480 0.000 0.000 0.253 265 M C 1.305 177.502 176.300 -0.172 0.000 0.930 265 M CA -0.258 54.935 55.300 -0.178 0.000 1.313 265 M CB -0.500 32.037 32.600 -0.105 0.000 1.437 265 M HN 0.263 nan 8.290 nan 0.000 0.713 266 Y N -1.541 118.752 120.300 -0.012 0.000 2.478 266 Y HA 0.131 4.681 4.550 0.000 0.000 0.261 266 Y C 0.116 176.061 175.900 0.075 0.000 1.127 266 Y CA 0.077 58.173 58.100 -0.007 0.000 1.288 266 Y CB 0.277 38.679 38.460 -0.097 0.000 1.084 266 Y HN 0.313 nan 8.280 nan 0.000 0.530 267 Y N 0.674 121.027 120.300 0.089 0.000 2.429 267 Y HA 0.712 5.262 4.550 0.000 0.000 0.342 267 Y C -0.625 175.325 175.900 0.083 0.000 1.004 267 Y CA -2.229 55.916 58.100 0.074 0.000 1.075 267 Y CB 1.219 39.705 38.460 0.044 0.000 1.214 267 Y HN -0.137 nan 8.280 nan 0.000 0.455 268 A N 4.090 126.770 122.820 -0.232 0.000 2.253 268 A HA 0.763 5.083 4.320 0.000 0.000 0.316 268 A C -0.850 176.677 177.584 -0.094 0.000 1.327 268 A CA -0.059 51.948 52.037 -0.050 0.000 0.917 268 A CB -0.401 18.641 19.000 0.069 0.000 1.162 268 A HN 1.046 nan 8.150 nan 0.000 0.535 269 A N 4.845 127.710 122.820 0.076 0.000 3.030 269 A HA 0.657 4.977 4.320 0.000 0.000 0.335 269 A C -2.774 174.956 177.584 0.243 0.000 1.089 269 A CA -1.278 50.857 52.037 0.163 0.000 0.807 269 A CB 0.571 19.759 19.000 0.314 0.000 1.099 269 A HN 0.493 nan 8.150 nan 0.000 0.474 270 P HA 0.089 nan 4.420 nan 0.000 0.237 270 P C -0.683 176.851 177.300 0.390 0.000 1.788 270 P CA 0.426 63.660 63.100 0.223 0.000 1.061 270 P CB -0.575 31.222 31.700 0.162 0.000 1.967 271 W N 5.316 126.664 121.300 0.080 0.000 3.211 271 W HA 0.454 5.114 4.660 0.000 0.000 0.335 271 W C -2.563 173.984 176.519 0.047 0.000 1.113 271 W CA -0.828 56.557 57.345 0.067 0.000 1.235 271 W CB 1.444 30.934 29.460 0.049 0.000 1.365 271 W HN -0.096 nan 8.180 nan 0.000 0.476 272 L N 6.723 127.584 121.223 -0.603 0.000 2.401 272 L HA 0.570 4.910 4.340 0.000 0.000 0.266 272 L C -0.271 176.104 176.870 -0.825 0.000 0.991 272 L CA -1.162 53.364 54.840 -0.524 0.000 0.818 272 L CB 2.721 44.724 42.059 -0.093 0.000 1.321 272 L HN 0.294 nan 8.230 nan 0.000 0.413 273 I N 2.678 122.909 120.570 -0.564 0.000 2.362 273 I HA 0.346 4.516 4.170 0.000 0.000 0.289 273 I C -0.455 175.472 176.117 -0.317 0.000 0.994 273 I CA -0.825 60.202 61.300 -0.455 0.000 1.158 273 I CB 1.896 39.721 38.000 -0.292 0.000 1.315 273 I HN 0.175 nan 8.210 nan 0.000 0.451 274 V N 5.557 125.139 119.914 -0.554 0.000 2.465 274 V HA 0.308 4.429 4.120 0.000 0.000 0.279 274 V C -0.140 175.655 176.094 -0.499 0.000 1.045 274 V CA -0.461 61.405 62.300 -0.724 0.000 0.938 274 V CB 1.438 32.555 31.823 -1.177 0.000 0.986 274 V HN 0.686 nan 8.190 nan 0.000 0.467 275 N N 2.887 121.360 118.700 -0.379 0.000 2.399 275 N HA 0.710 5.450 4.740 0.000 0.000 0.284 275 N C -0.336 174.914 175.510 -0.433 0.000 1.025 275 N CA -0.056 52.787 53.050 -0.345 0.000 0.885 275 N CB 1.981 40.354 38.487 -0.191 0.000 1.339 275 N HN 0.869 nan 8.380 nan 0.000 0.487 276 G N 0.663 108.973 108.800 -0.817 0.000 2.574 276 G HA2 0.444 4.404 3.960 0.000 0.000 0.299 276 G HA3 0.444 4.404 3.960 0.000 0.000 0.299 276 G C -0.272 174.263 174.900 -0.608 0.000 1.298 276 G CA -0.548 44.074 45.100 -0.796 0.000 0.952 276 G HN 0.816 nan 8.290 nan 0.000 0.477 277 C N -0.258 118.911 119.300 -0.219 0.000 4.235 277 C HA -0.063 4.397 4.460 0.000 0.000 0.301 277 C C 1.590 176.524 174.990 -0.093 0.000 1.409 277 C CA -0.368 58.603 59.018 -0.078 0.000 2.024 277 C CB -2.789 24.969 27.740 0.031 0.000 1.286 277 C HN 1.452 nan 8.230 nan 0.000 0.746 278 A N -0.060 122.696 122.820 -0.105 0.000 2.546 278 A HA 0.440 4.760 4.320 0.000 0.000 0.243 278 A C 1.578 179.135 177.584 -0.044 0.000 1.063 278 A CA 1.326 53.314 52.037 -0.082 0.000 0.757 278 A CB -0.122 18.840 19.000 -0.064 0.000 0.991 278 A HN 2.483 nan 8.150 nan 0.000 0.503 279 G N 1.776 110.557 108.800 -0.032 0.000 2.162 279 G HA2 -0.180 3.781 3.960 0.000 0.000 0.260 279 G HA3 -0.180 3.781 3.960 0.000 0.000 0.260 279 G C 0.526 175.424 174.900 -0.004 0.000 0.976 279 G CA 1.389 46.486 45.100 -0.006 0.000 0.655 279 G HN 2.171 nan 8.290 nan 0.000 0.533 280 T N -2.673 111.875 114.554 -0.010 0.000 2.948 280 T HA 0.694 5.044 4.350 0.000 0.000 0.285 280 T C 1.705 176.406 174.700 0.003 0.000 1.019 280 T CA 0.768 62.868 62.100 -0.001 0.000 1.013 280 T CB 1.523 70.392 68.868 0.003 0.000 1.117 280 T HN 1.039 nan 8.240 nan 0.000 0.533 281 S N -0.474 115.230 115.700 0.007 0.000 2.474 281 S HA -0.109 4.362 4.470 0.000 0.000 0.235 281 S C 1.305 175.920 174.600 0.026 0.000 0.997 281 S CA 0.879 59.085 58.200 0.010 0.000 0.949 281 S CB -0.775 62.429 63.200 0.006 0.000 0.766 281 S HN 0.938 nan 8.310 nan 0.000 0.517 282 E N 0.863 121.085 120.200 0.038 0.000 2.444 282 E HA 0.153 4.503 4.350 0.000 0.000 0.191 282 E C 0.521 177.197 176.600 0.127 0.000 1.041 282 E CA -0.573 55.871 56.400 0.074 0.000 0.883 282 E CB -0.212 29.526 29.700 0.063 0.000 1.024 282 E HN 0.654 nan 8.360 nan 0.000 0.470 283 Q N 1.392 121.229 119.800 0.062 0.000 2.304 283 Q HA -0.059 4.281 4.340 0.000 0.000 0.301 283 Q C -1.132 174.932 176.000 0.107 0.000 1.063 283 Q CA 0.243 56.051 55.803 0.008 0.000 0.947 283 Q CB 0.272 28.980 28.738 -0.049 0.000 1.201 283 Q HN 0.415 nan 8.270 nan 0.000 0.389 284 Y N 0.001 120.324 120.300 0.038 0.000 2.545 284 Y HA 0.777 5.328 4.550 0.000 0.000 0.348 284 Y C -1.212 174.713 175.900 0.043 0.000 1.002 284 Y CA -1.119 57.040 58.100 0.098 0.000 1.039 284 Y CB 1.686 40.262 38.460 0.194 0.000 1.271 284 Y HN 0.425 nan 8.280 nan 0.000 0.467 285 S N 1.834 117.606 115.700 0.119 0.000 2.549 285 S HA 0.679 5.149 4.470 0.000 0.000 0.280 285 S C -1.866 172.835 174.600 0.168 0.000 1.109 285 S CA -0.913 57.273 58.200 -0.022 0.000 0.905 285 S CB 1.503 64.609 63.200 -0.158 0.000 1.081 285 S HN 0.852 nan 8.310 nan 0.000 0.477 286 Y N -1.322 119.025 120.300 0.079 0.000 2.513 286 Y HA 0.828 5.378 4.550 0.000 0.000 0.340 286 Y C -0.238 175.688 175.900 0.043 0.000 1.055 286 Y CA -1.223 56.959 58.100 0.137 0.000 1.020 286 Y CB 0.564 39.187 38.460 0.273 0.000 1.301 286 Y HN 0.757 nan 8.280 nan 0.000 0.453 287 G N 1.436 110.339 108.800 0.173 0.000 2.412 287 G HA2 0.422 4.382 3.960 0.000 0.000 0.318 287 G HA3 0.422 4.382 3.960 0.000 0.000 0.318 287 G C -2.250 172.775 174.900 0.209 0.000 1.146 287 G CA -0.606 44.365 45.100 -0.214 0.000 0.882 287 G HN 0.770 nan 8.290 nan 0.000 0.501 288 W N 3.002 124.155 121.300 -0.244 0.000 2.687 288 W HA 0.612 5.272 4.660 0.000 0.000 0.328 288 W C -2.507 174.108 176.519 0.160 0.000 1.012 288 W CA -2.508 54.887 57.345 0.084 0.000 1.262 288 W CB 1.455 31.052 29.460 0.227 0.000 1.331 288 W HN 0.252 nan 8.180 nan 0.000 0.433 289 F N 8.295 128.474 119.950 0.382 0.000 2.460 289 F HA 0.502 5.029 4.527 0.000 0.000 0.341 289 F C -0.808 175.094 175.800 0.170 0.000 1.130 289 F CA -1.626 56.549 58.000 0.291 0.000 0.962 289 F CB 1.386 40.500 39.000 0.189 0.000 1.171 289 F HN 0.238 nan 8.300 nan 0.000 0.436 290 M N 6.245 125.732 119.600 -0.188 0.000 2.069 290 M HA 0.237 4.717 4.480 0.000 0.000 0.349 290 M C -0.703 175.169 176.300 -0.713 0.000 1.194 290 M CA -0.384 54.666 55.300 -0.416 0.000 1.081 290 M CB 0.164 32.598 32.600 -0.277 0.000 1.500 290 M HN 0.561 nan 8.290 nan 0.000 0.438 291 D N 4.930 124.746 120.400 -0.973 0.000 2.498 291 D HA 0.126 4.766 4.640 0.000 0.000 0.229 291 D C -1.284 174.851 176.300 -0.276 0.000 1.188 291 D CA 0.535 54.041 54.000 -0.823 0.000 1.028 291 D CB 0.093 40.568 40.800 -0.543 0.000 1.087 291 D HN 0.625 nan 8.370 nan 0.000 0.510 292 N N 2.613 121.224 118.700 -0.149 0.000 2.287 292 N HA 0.104 4.844 4.740 0.000 0.000 0.289 292 N C 0.241 175.620 175.510 -0.219 0.000 1.066 292 N CA -0.491 52.467 53.050 -0.153 0.000 0.841 292 N CB 2.095 40.502 38.487 -0.133 0.000 1.599 292 N HN 0.034 nan 8.380 nan 0.000 0.476 293 V N 0.289 120.011 119.914 -0.321 0.000 3.578 293 V HA 0.277 4.397 4.120 0.000 0.000 0.290 293 V C 1.029 176.969 176.094 -0.256 0.000 1.376 293 V CA -0.032 61.989 62.300 -0.465 0.000 1.083 293 V CB -0.467 30.987 31.823 -0.614 0.000 0.911 293 V HN 0.560 nan 8.190 nan 0.000 0.433 294 S N 0.076 115.696 115.700 -0.133 0.000 2.655 294 S HA 0.332 4.802 4.470 0.000 0.000 0.265 294 S C 0.193 174.769 174.600 -0.041 0.000 1.240 294 S CA -0.307 57.871 58.200 -0.037 0.000 0.986 294 S CB 0.841 64.108 63.200 0.111 0.000 0.985 294 S HN 0.640 nan 8.310 nan 0.000 0.562 295 Q N 1.003 120.820 119.800 0.028 0.000 2.262 295 Q HA 0.199 4.539 4.340 0.000 0.000 0.298 295 Q C -0.151 175.668 176.000 -0.302 0.000 1.083 295 Q CA 0.052 55.817 55.803 -0.064 0.000 0.962 295 Q CB 0.094 28.854 28.738 0.038 0.000 1.104 295 Q HN 0.813 nan 8.270 nan 0.000 0.376 296 S N 3.421 118.850 115.700 -0.451 0.000 2.715 296 S HA 0.725 5.195 4.470 0.000 0.000 0.307 296 S C -1.330 172.782 174.600 -0.814 0.000 1.119 296 S CA -0.727 57.197 58.200 -0.459 0.000 0.937 296 S CB 1.053 64.145 63.200 -0.180 0.000 1.150 296 S HN 0.572 nan 8.310 nan 0.000 0.521 297 Y N -0.808 119.343 120.300 -0.248 0.000 2.534 297 Y HA 0.673 5.223 4.550 0.000 0.000 0.345 297 Y C -0.879 174.909 175.900 -0.187 0.000 1.031 297 Y CA -1.016 56.939 58.100 -0.242 0.000 1.022 297 Y CB 2.252 40.486 38.460 -0.377 0.000 1.292 297 Y HN 0.605 nan 8.280 nan 0.000 0.459 298 M N 3.202 122.756 119.600 -0.077 0.000 2.124 298 M HA 0.304 4.784 4.480 0.000 0.000 0.280 298 M C -1.217 174.893 176.300 -0.317 0.000 0.954 298 M CA -0.427 54.730 55.300 -0.238 0.000 0.958 298 M CB 1.563 34.041 32.600 -0.204 0.000 1.611 298 M HN 0.484 nan 8.290 nan 0.000 0.449 299 N N 1.680 120.013 118.700 -0.612 0.000 2.479 299 N HA 0.391 5.131 4.740 0.000 0.000 0.261 299 N C -0.420 174.734 175.510 -0.595 0.000 0.979 299 N CA -0.086 52.570 53.050 -0.656 0.000 0.930 299 N CB 1.533 39.310 38.487 -1.184 0.000 1.172 299 N HN 0.766 nan 8.380 nan 0.000 0.499 300 T N -0.136 114.109 114.554 -0.516 0.000 3.251 300 T HA 0.386 4.736 4.350 0.000 0.000 0.259 300 T C 0.879 175.230 174.700 -0.581 0.000 0.998 300 T CA -0.035 61.610 62.100 -0.759 0.000 0.905 300 T CB -0.170 68.141 68.868 -0.928 0.000 1.067 300 T HN 0.613 nan 8.240 nan 0.000 0.569 301 G N 0.967 109.556 108.800 -0.352 0.000 2.247 301 G HA2 -0.102 3.858 3.960 0.000 0.000 0.111 301 G HA3 -0.102 3.858 3.960 0.000 0.000 0.111 301 G C -0.660 174.156 174.900 -0.139 0.000 1.045 301 G CA -0.561 44.417 45.100 -0.203 0.000 0.715 301 G HN 0.553 nan 8.290 nan 0.000 0.485 302 D N 1.001 121.330 120.400 -0.117 0.000 2.313 302 D HA 0.520 5.161 4.640 0.000 0.000 0.239 302 D C 1.858 178.160 176.300 0.004 0.000 1.142 302 D CA 0.414 54.376 54.000 -0.062 0.000 0.847 302 D CB 1.156 41.948 40.800 -0.014 0.000 1.082 302 D HN 0.199 nan 8.370 nan 0.000 0.480 303 T N -0.241 114.302 114.554 -0.018 0.000 3.113 303 T HA 0.010 4.360 4.350 0.000 0.000 0.256 303 T C 0.859 175.548 174.700 -0.018 0.000 1.131 303 T CA -0.064 62.033 62.100 -0.004 0.000 1.074 303 T CB -0.374 68.481 68.868 -0.022 0.000 0.944 303 T HN 0.284 nan 8.240 nan 0.000 0.516 304 T N 2.854 117.361 114.554 -0.078 0.000 2.934 304 T HA -0.027 4.323 4.350 0.000 0.000 0.306 304 T C 0.220 174.884 174.700 -0.059 0.000 1.042 304 T CA 0.139 62.052 62.100 -0.311 0.000 1.145 304 T CB -0.276 68.206 68.868 -0.645 0.000 0.982 304 T HN 0.600 nan 8.240 nan 0.000 0.544 305 W N 1.321 122.671 121.300 0.084 0.000 3.572 305 W HA -0.300 4.361 4.660 0.001 0.000 0.298 305 W C 0.867 177.429 176.519 0.072 0.000 1.113 305 W CA 0.513 57.912 57.345 0.091 0.000 0.657 305 W CB -2.644 26.913 29.460 0.162 0.000 2.150 305 W HN 1.037 nan 8.180 nan 0.000 1.471 306 N N -0.283 118.528 118.700 0.184 0.000 2.708 306 N HA -0.257 4.483 4.740 0.000 0.000 0.249 306 N C 1.015 176.618 175.510 0.155 0.000 1.097 306 N CA 1.627 54.753 53.050 0.126 0.000 0.710 306 N CB -0.986 37.553 38.487 0.087 0.000 1.032 306 N HN 0.391 nan 8.380 nan 0.000 0.551 307 S N -2.853 112.992 115.700 0.242 0.000 2.436 307 S HA 0.283 4.753 4.470 0.000 0.000 0.228 307 S C 1.074 175.833 174.600 0.265 0.000 1.014 307 S CA 0.797 59.154 58.200 0.263 0.000 0.950 307 S CB 0.513 63.940 63.200 0.379 0.000 0.784 307 S HN 0.656 nan 8.310 nan 0.000 0.504 308 G N -0.590 108.327 108.800 0.194 0.000 2.788 308 G HA2 0.642 4.603 3.960 0.000 0.000 0.293 308 G HA3 0.642 4.603 3.960 0.000 0.000 0.293 308 G C -2.024 172.925 174.900 0.082 0.000 1.392 308 G CA -0.941 44.270 45.100 0.187 0.000 0.810 308 G HN 0.279 nan 8.290 nan 0.000 0.508 309 Q N -0.683 119.150 119.800 0.055 0.000 2.394 309 Q HA 0.306 4.646 4.340 0.000 0.000 0.273 309 Q C 0.321 176.314 176.000 -0.012 0.000 1.089 309 Q CA -0.709 55.103 55.803 0.015 0.000 0.812 309 Q CB 3.180 31.924 28.738 0.010 0.000 1.353 309 Q HN 0.686 nan 8.270 nan 0.000 0.438 310 E N 0.883 121.070 120.200 -0.022 0.000 2.130 310 E HA -0.212 4.138 4.350 0.000 0.000 0.196 310 E C 0.058 176.638 176.600 -0.035 0.000 0.998 310 E CA 1.238 57.617 56.400 -0.034 0.000 0.806 310 E CB 0.216 29.904 29.700 -0.021 0.000 0.738 310 E HN 0.518 nan 8.360 nan 0.000 0.459 311 D N -0.243 120.139 120.400 -0.030 0.000 2.342 311 D HA 0.142 4.783 4.640 0.000 0.000 0.221 311 D C 0.098 176.353 176.300 -0.075 0.000 1.101 311 D CA 0.292 54.260 54.000 -0.052 0.000 0.837 311 D CB 0.471 41.243 40.800 -0.046 0.000 0.938 311 D HN 0.088 nan 8.370 nan 0.000 0.508 312 L N 0.197 121.402 121.223 -0.030 0.000 2.354 312 L HA 0.749 5.089 4.340 0.000 0.000 0.264 312 L C -0.469 176.419 176.870 0.031 0.000 1.008 312 L CA -1.079 53.774 54.840 0.022 0.000 0.819 312 L CB 2.259 44.357 42.059 0.065 0.000 1.339 312 L HN -0.212 nan 8.230 nan 0.000 0.420 313 A N 1.573 124.471 122.820 0.130 0.000 2.435 313 A HA 0.881 5.202 4.320 0.000 0.000 0.304 313 A C -1.710 176.087 177.584 0.355 0.000 1.064 313 A CA -0.400 51.683 52.037 0.077 0.000 0.727 313 A CB 1.685 20.741 19.000 0.093 0.000 1.284 313 A HN 0.673 nan 8.150 nan 0.000 0.415 314 Y N -1.007 119.361 120.300 0.112 0.000 2.597 314 Y HA 0.841 5.391 4.550 0.000 0.000 0.340 314 Y C -1.031 174.779 175.900 -0.149 0.000 1.097 314 Y CA -1.587 56.600 58.100 0.145 0.000 1.037 314 Y CB 1.259 39.809 38.460 0.149 0.000 1.305 314 Y HN 0.587 nan 8.280 nan 0.000 0.463 315 M N 1.740 121.413 119.600 0.121 0.000 2.602 315 M HA 0.811 5.291 4.480 0.000 0.000 0.312 315 M C -0.371 176.126 176.300 0.329 0.000 1.181 315 M CA -0.701 54.592 55.300 -0.011 0.000 0.910 315 M CB 2.643 34.963 32.600 -0.467 0.000 1.723 315 M HN 1.111 nan 8.290 nan 0.000 0.459 316 G N 0.631 109.607 108.800 0.293 0.000 2.559 316 G HA2 0.847 4.807 3.960 0.000 0.000 0.291 316 G HA3 0.847 4.807 3.960 0.000 0.000 0.291 316 G C -2.410 172.614 174.900 0.207 0.000 1.424 316 G CA -0.405 44.930 45.100 0.391 0.000 0.786 316 G HN 0.927 nan 8.290 nan 0.000 0.485 317 A N -0.924 122.048 122.820 0.253 0.000 2.609 317 A HA 0.711 5.031 4.320 0.000 0.000 0.291 317 A C 0.343 178.055 177.584 0.213 0.000 1.096 317 A CA -0.300 51.824 52.037 0.145 0.000 0.684 317 A CB 1.514 20.553 19.000 0.066 0.000 1.282 317 A HN 0.436 nan 8.150 nan 0.000 0.412 318 Q N -0.772 119.136 119.800 0.180 0.000 2.245 318 Q HA 0.066 4.406 4.340 0.000 0.000 0.201 318 Q C -0.743 175.141 176.000 -0.193 0.000 0.955 318 Q CA 1.521 57.386 55.803 0.104 0.000 0.870 318 Q CB -0.027 28.837 28.738 0.210 0.000 0.945 318 Q HN 0.640 nan 8.270 nan 0.000 0.461 319 Y N -1.608 118.737 120.300 0.075 0.000 2.581 319 Y HA 0.517 5.067 4.550 0.000 0.000 0.345 319 Y C 0.760 176.670 175.900 0.017 0.000 1.036 319 Y CA -0.901 57.225 58.100 0.043 0.000 1.042 319 Y CB 1.372 39.860 38.460 0.046 0.000 1.289 319 Y HN -0.078 nan 8.280 nan 0.000 0.471 320 G N 1.424 110.302 108.800 0.129 0.000 2.621 320 G HA2 0.463 4.423 3.960 0.000 0.000 0.271 320 G HA3 0.463 4.423 3.960 0.000 0.000 0.271 320 G C -2.533 172.394 174.900 0.045 0.000 1.236 320 G CA -1.007 44.103 45.100 0.016 0.000 0.958 320 G HN 0.358 nan 8.290 nan 0.000 0.512 321 P HA 0.350 nan 4.420 nan 0.000 0.282 321 P C -1.278 175.952 177.300 -0.116 0.000 1.287 321 P CA -0.692 62.351 63.100 -0.095 0.000 0.792 321 P CB 0.943 32.614 31.700 -0.048 0.000 1.163 322 F N 0.574 120.269 119.950 -0.426 0.000 2.415 322 F HA 0.477 5.004 4.527 0.000 0.000 0.348 322 F C -0.500 175.171 175.800 -0.214 0.000 1.119 322 F CA 0.051 57.818 58.000 -0.389 0.000 1.069 322 F CB 0.849 39.320 39.000 -0.881 0.000 1.124 322 F HN 0.125 nan 8.300 nan 0.000 0.472 323 D N 5.391 125.606 120.400 -0.308 0.000 2.548 323 D HA 0.162 4.802 4.640 0.000 0.000 0.214 323 D C -1.763 174.356 176.300 -0.302 0.000 1.345 323 D CA -0.232 53.681 54.000 -0.145 0.000 0.945 323 D CB 1.308 42.066 40.800 -0.069 0.000 1.499 323 D HN 0.720 nan 8.370 nan 0.000 0.579 324 Q N 2.407 122.051 119.800 -0.260 0.000 2.331 324 Q HA 0.473 4.813 4.340 0.000 0.000 0.272 324 Q C -1.500 174.262 176.000 -0.396 0.000 1.062 324 Q CA -0.706 54.916 55.803 -0.301 0.000 0.806 324 Q CB 1.600 30.186 28.738 -0.255 0.000 1.312 324 Q HN 0.491 nan 8.270 nan 0.000 0.431 325 H N 1.689 120.605 119.070 -0.256 0.000 2.495 325 H HA 0.471 5.028 4.556 0.000 0.000 0.348 325 H C -1.371 173.724 175.328 -0.390 0.000 1.113 325 H CA -0.237 55.717 56.048 -0.157 0.000 1.195 325 H CB 0.966 30.851 29.762 0.206 0.000 1.521 325 H HN 0.376 nan 8.280 nan 0.000 0.509 326 F N 2.035 121.983 119.950 -0.003 0.000 2.444 326 F HA 0.453 4.980 4.527 0.000 0.000 0.342 326 F C -0.385 175.507 175.800 0.153 0.000 1.121 326 F CA -0.879 57.111 58.000 -0.017 0.000 0.997 326 F CB 1.397 40.169 39.000 -0.381 0.000 1.130 326 F HN 0.198 nan 8.300 nan 0.000 0.454 327 V N 4.845 125.031 119.914 0.453 0.000 2.357 327 V HA 0.093 4.213 4.120 0.000 0.000 0.281 327 V C -0.107 176.247 176.094 0.434 0.000 1.015 327 V CA -0.617 61.940 62.300 0.429 0.000 0.827 327 V CB 0.849 32.930 31.823 0.431 0.000 1.018 327 V HN 0.830 nan 8.190 nan 0.000 0.432 328 Y N 4.338 124.812 120.300 0.289 0.000 2.448 328 Y HA 0.505 5.056 4.550 0.000 0.000 0.289 328 Y C 1.303 177.324 175.900 0.201 0.000 1.114 328 Y CA 0.930 59.178 58.100 0.248 0.000 1.235 328 Y CB 0.341 38.914 38.460 0.188 0.000 1.045 328 Y HN 0.786 nan 8.280 nan 0.000 0.554 329 G N -0.125 108.807 108.800 0.220 0.000 2.712 329 G HA2 -0.017 3.943 3.960 0.000 0.000 0.686 329 G HA3 -0.017 3.943 3.960 0.000 0.000 0.686 329 G C 0.498 175.479 174.900 0.135 0.000 1.321 329 G CA -0.378 44.791 45.100 0.115 0.000 0.813 329 G HN 0.795 nan 8.290 nan 0.000 0.599 330 A N 0.896 123.786 122.820 0.116 0.000 1.826 330 A HA 0.596 4.916 4.320 0.000 0.000 0.214 330 A C 2.241 179.872 177.584 0.078 0.000 1.212 330 A CA 2.440 54.547 52.037 0.117 0.000 0.605 330 A CB -0.901 18.160 19.000 0.102 0.000 0.861 330 A HN 2.481 nan 8.150 nan 0.000 0.447 331 G N -1.391 107.426 108.800 0.029 0.000 2.516 331 G HA2 0.438 4.398 3.960 0.000 0.000 0.276 331 G HA3 0.438 4.398 3.960 0.000 0.000 0.276 331 G C 0.389 175.266 174.900 -0.038 0.000 1.390 331 G CA 0.019 45.120 45.100 0.002 0.000 1.050 331 G HN 0.854 nan 8.290 nan 0.000 0.519 332 G N -2.188 106.584 108.800 -0.046 0.000 2.367 332 G HA2 0.674 4.634 3.960 0.000 0.000 0.314 332 G HA3 0.674 4.634 3.960 0.000 0.000 0.314 332 G C 0.137 174.980 174.900 -0.095 0.000 1.130 332 G CA 0.458 45.515 45.100 -0.071 0.000 0.864 332 G HN 1.824 nan 8.290 nan 0.000 0.486 333 G N 0.704 109.436 108.800 -0.115 0.000 2.525 333 G HA2 -0.056 3.904 3.960 0.000 0.000 0.685 333 G HA3 -0.056 3.904 3.960 0.000 0.000 0.685 333 G C 0.712 175.553 174.900 -0.098 0.000 1.285 333 G CA -0.047 44.991 45.100 -0.103 0.000 0.849 333 G HN 0.675 nan 8.290 nan 0.000 0.653 334 M N 0.109 119.650 119.600 -0.099 0.000 2.202 334 M HA -0.028 4.452 4.480 0.000 0.000 0.262 334 M C 1.649 177.942 176.300 -0.013 0.000 1.063 334 M CA 1.557 56.801 55.300 -0.094 0.000 1.097 334 M CB -0.135 32.363 32.600 -0.171 0.000 1.382 334 M HN 0.722 nan 8.290 nan 0.000 0.413 338 V N 1.819 121.889 119.914 0.260 0.000 2.295 338 V HA -0.237 3.883 4.120 0.000 0.000 0.246 338 V C 2.848 179.035 176.094 0.156 0.000 1.049 338 V CA 3.180 65.633 62.300 0.254 0.000 1.024 338 V CB -1.079 30.846 31.823 0.170 0.000 0.648 338 V HN 0.817 nan 8.190 nan 0.000 0.447 339 T N -0.776 113.849 114.554 0.118 0.000 2.777 339 T HA -0.109 4.241 4.350 0.000 0.000 0.266 339 T C 1.962 176.728 174.700 0.111 0.000 1.040 339 T CA 1.473 63.624 62.100 0.084 0.000 1.141 339 T CB -0.509 68.406 68.868 0.079 0.000 0.868 339 T HN 0.461 nan 8.240 nan 0.000 0.444 340 A N 1.033 123.950 122.820 0.162 0.000 1.902 340 A HA 0.086 4.406 4.320 0.000 0.000 0.217 340 A C 2.069 179.793 177.584 0.235 0.000 1.181 340 A CA 1.381 53.539 52.037 0.200 0.000 0.623 340 A CB -1.183 17.955 19.000 0.229 0.000 0.818 340 A HN 0.464 nan 8.150 nan 0.000 0.443 341 F N 2.066 122.031 119.950 0.024 0.000 2.126 341 F HA -0.188 4.340 4.527 0.000 0.000 0.299 341 F C 2.808 178.487 175.800 -0.202 0.000 1.096 341 F CA 1.580 59.489 58.000 -0.151 0.000 1.255 341 F CB -0.764 37.987 39.000 -0.416 0.000 0.997 341 F HN 0.352 nan 8.300 nan 0.000 0.479 342 S N 0.072 115.671 115.700 -0.168 0.000 2.402 342 S HA -0.177 4.293 4.470 0.000 0.000 0.229 342 S C 2.078 176.599 174.600 -0.131 0.000 1.021 342 S CA 1.115 59.159 58.200 -0.261 0.000 0.974 342 S CB -1.066 62.024 63.200 -0.183 0.000 0.800 342 S HN 0.383 nan 8.310 nan 0.000 0.484 343 L N 1.463 122.677 121.223 -0.014 0.000 2.056 343 L HA 0.182 4.523 4.340 0.000 0.000 0.207 343 L C 2.217 179.122 176.870 0.058 0.000 1.078 343 L CA 1.555 56.428 54.840 0.055 0.000 0.749 343 L CB -0.688 41.455 42.059 0.140 0.000 0.901 343 L HN 0.371 nan 8.230 nan 0.000 0.433 344 L N -0.853 120.400 121.223 0.051 0.000 2.191 344 L HA -0.195 4.145 4.340 0.000 0.000 0.212 344 L C 2.173 179.009 176.870 -0.057 0.000 1.103 344 L CA 1.101 55.970 54.840 0.049 0.000 0.769 344 L CB -0.507 41.600 42.059 0.080 0.000 0.908 344 L HN 0.449 nan 8.230 nan 0.000 0.438 345 Q N -0.283 119.415 119.800 -0.170 0.000 2.319 345 Q HA 0.150 4.490 4.340 0.000 0.000 0.202 345 Q C 1.157 177.079 176.000 -0.131 0.000 0.896 345 Q CA -0.041 55.642 55.803 -0.200 0.000 0.942 345 Q CB 0.401 28.931 28.738 -0.347 0.000 1.083 345 Q HN 0.452 nan 8.270 nan 0.000 0.510 346 G N 0.964 109.722 108.800 -0.070 0.000 2.684 346 G HA2 0.044 4.004 3.960 0.000 0.000 0.255 346 G HA3 0.044 4.004 3.960 0.000 0.000 0.255 346 G C 0.461 175.277 174.900 -0.139 0.000 1.219 346 G CA -0.297 44.757 45.100 -0.077 0.000 0.901 346 G HN -0.011 nan 8.290 nan 0.000 0.548 347 K N -0.313 119.947 120.400 -0.233 0.000 2.564 347 K HA 0.156 4.476 4.320 0.000 0.000 0.205 347 K C 1.439 177.713 176.600 -0.544 0.000 1.053 347 K CA -0.113 55.932 56.287 -0.403 0.000 1.072 347 K CB 1.020 33.281 32.500 -0.399 0.000 0.822 347 K HN 0.500 nan 8.250 nan 0.000 0.497 348 E N 0.344 120.202 120.200 -0.569 0.000 2.118 348 E HA -0.184 4.166 4.350 0.000 0.000 0.195 348 E C 1.427 177.361 176.600 -1.111 0.000 0.992 348 E CA 1.368 57.200 56.400 -0.946 0.000 0.804 348 E CB -0.475 28.265 29.700 -1.601 0.000 0.741 348 E HN 0.457 nan 8.360 nan 0.000 0.458 349 F N 0.707 120.119 119.950 -0.896 0.000 2.307 349 F HA -0.061 4.466 4.527 0.000 0.000 0.301 349 F C 1.414 177.065 175.800 -0.249 0.000 1.076 349 F CA 1.020 58.720 58.000 -0.499 0.000 1.383 349 F CB -0.281 38.637 39.000 -0.136 0.000 1.055 349 F HN -0.075 nan 8.300 nan 0.000 0.526 350 E N 0.165 119.753 120.200 -1.020 0.000 2.479 350 E HA -0.026 4.324 4.350 0.000 0.000 0.193 350 E C -0.106 176.275 176.600 -0.365 0.000 1.049 350 E CA 0.230 56.202 56.400 -0.713 0.000 0.870 350 E CB -0.177 29.031 29.700 -0.820 0.000 0.944 350 E HN 0.380 nan 8.360 nan 0.000 0.492 351 N N 2.132 120.634 118.700 -0.330 0.000 2.754 351 N HA -0.151 4.589 4.740 0.000 0.000 0.248 351 N C -0.820 174.598 175.510 -0.154 0.000 1.093 351 N CA 0.680 53.622 53.050 -0.180 0.000 0.699 351 N CB -0.987 37.456 38.487 -0.073 0.000 1.016 351 N HN 0.289 nan 8.380 nan 0.000 0.552 352 Q N 0.485 120.158 119.800 -0.213 0.000 2.255 352 Q HA 0.072 4.412 4.340 0.000 0.000 0.280 352 Q C 1.825 177.781 176.000 -0.073 0.000 1.068 352 Q CA 0.208 55.922 55.803 -0.147 0.000 0.911 352 Q CB 0.722 29.348 28.738 -0.186 0.000 1.157 352 Q HN 0.368 nan 8.270 nan 0.000 0.380 353 V N 1.057 120.973 119.914 0.002 0.000 3.041 353 V HA -0.107 4.013 4.120 0.000 0.000 0.260 353 V C 1.223 177.408 176.094 0.151 0.000 1.105 353 V CA 1.044 63.405 62.300 0.103 0.000 1.125 353 V CB -0.325 31.595 31.823 0.161 0.000 0.730 353 V HN 0.576 nan 8.190 nan 0.000 0.479 354 L N -0.403 120.831 121.223 0.020 0.000 2.678 354 L HA 0.539 4.879 4.340 0.000 0.000 0.187 354 L C 0.823 177.564 176.870 -0.216 0.000 1.073 354 L CA 0.816 55.579 54.840 -0.128 0.000 0.883 354 L CB -0.156 41.795 42.059 -0.179 0.000 1.501 354 L HN 0.172 nan 8.230 nan 0.000 0.488 355 N N 1.410 120.008 118.700 -0.170 0.000 3.193 355 N HA 0.060 4.800 4.740 0.000 0.000 0.312 355 N C 0.641 176.056 175.510 -0.157 0.000 1.261 355 N CA 0.150 53.094 53.050 -0.176 0.000 1.208 355 N CB 0.251 38.665 38.487 -0.123 0.000 1.471 355 N HN 0.449 nan 8.380 nan 0.000 0.548 356 K N 0.296 120.577 120.400 -0.198 0.000 2.044 356 K HA 0.082 4.402 4.320 0.000 0.000 0.204 356 K C 1.130 177.676 176.600 -0.091 0.000 1.049 356 K CA 0.811 56.992 56.287 -0.176 0.000 0.945 356 K CB 0.386 32.768 32.500 -0.196 0.000 0.724 356 K HN 0.098 nan 8.250 nan 0.000 0.440 357 R N 0.043 120.452 120.500 -0.152 0.000 2.446 357 R HA 0.185 4.526 4.340 0.000 0.000 0.254 357 R C 0.262 176.295 176.300 -0.446 0.000 0.918 357 R CA 0.232 56.236 56.100 -0.160 0.000 1.069 357 R CB 1.101 31.278 30.300 -0.204 0.000 1.194 357 R HN 0.187 nan 8.270 nan 0.000 0.534 358 S N -1.234 114.186 115.700 -0.466 0.000 2.643 358 S HA 0.323 4.793 4.470 0.000 0.000 0.266 358 S C -0.611 173.796 174.600 -0.321 0.000 1.130 358 S CA -0.951 56.885 58.200 -0.607 0.000 0.817 358 S CB 1.339 64.259 63.200 -0.466 0.000 1.107 358 S HN -0.064 nan 8.310 nan 0.000 0.471 359 V N -0.303 119.469 119.914 -0.237 0.000 2.439 359 V HA 0.628 4.748 4.120 0.000 0.000 0.282 359 V C 0.284 176.324 176.094 -0.091 0.000 1.039 359 V CA -0.877 61.353 62.300 -0.116 0.000 0.913 359 V CB 0.825 32.625 31.823 -0.037 0.000 0.983 359 V HN 0.892 nan 8.190 nan 0.000 0.460 360 M N 6.474 125.979 119.600 -0.159 0.000 2.239 360 M HA 0.367 4.847 4.480 0.000 0.000 0.348 360 M C -2.086 174.094 176.300 -0.199 0.000 1.239 360 M CA -1.718 53.445 55.300 -0.228 0.000 1.114 360 M CB 0.616 33.036 32.600 -0.300 0.000 1.641 360 M HN 0.579 nan 8.290 nan 0.000 0.453 361 P HA 0.454 nan 4.420 nan 0.000 0.280 361 P C -2.812 174.233 177.300 -0.425 0.000 1.272 361 P CA -1.754 60.931 63.100 -0.692 0.000 0.819 361 P CB -0.282 30.611 31.700 -1.344 0.000 1.122 362 P HA 0.051 nan 4.420 nan 0.000 0.269 362 P C 0.932 177.871 177.300 -0.601 0.000 1.215 362 P CA 0.032 62.732 63.100 -0.666 0.000 0.780 362 P CB 0.353 31.214 31.700 -1.398 0.000 0.898 363 K N 3.326 123.469 120.400 -0.428 0.000 2.127 363 K HA -0.235 4.085 4.320 0.000 0.000 0.208 363 K C 1.742 178.130 176.600 -0.353 0.000 1.047 363 K CA 2.031 57.990 56.287 -0.545 0.000 0.927 363 K CB -1.396 30.654 32.500 -0.749 0.000 0.716 363 K HN 0.554 nan 8.250 nan 0.000 0.450 364 Y N -1.256 118.830 120.300 -0.358 0.000 2.403 364 Y HA -0.012 4.538 4.550 0.000 0.000 0.291 364 Y C 1.639 177.477 175.900 -0.103 0.000 1.143 364 Y CA 0.576 58.509 58.100 -0.278 0.000 1.257 364 Y CB -1.146 37.092 38.460 -0.371 0.000 0.984 364 Y HN -0.125 nan 8.280 nan 0.000 0.550 365 V N 0.109 119.884 119.914 -0.233 0.000 2.720 365 V HA -0.252 3.868 4.120 0.000 0.000 0.256 365 V C 1.363 177.449 176.094 -0.014 0.000 1.082 365 V CA 1.467 63.666 62.300 -0.169 0.000 1.101 365 V CB -1.018 30.350 31.823 -0.758 0.000 0.693 365 V HN 0.360 nan 8.190 nan 0.000 0.479 366 F N 0.611 120.625 119.950 0.107 0.000 2.731 366 F HA 0.378 4.905 4.527 0.000 0.000 0.304 366 F C 1.556 177.389 175.800 0.055 0.000 1.133 366 F CA -0.173 57.884 58.000 0.094 0.000 1.380 366 F CB -0.739 38.237 39.000 -0.040 0.000 1.079 366 F HN 0.137 nan 8.300 nan 0.000 0.550 367 G N -0.701 108.227 108.800 0.214 0.000 2.557 367 G HA2 0.263 4.223 3.960 0.000 0.000 0.292 367 G HA3 0.263 4.223 3.960 0.000 0.000 0.292 367 G C -1.242 173.823 174.900 0.276 0.000 1.237 367 G CA -0.403 44.737 45.100 0.066 0.000 0.978 367 G HN 0.042 nan 8.290 nan 0.000 0.498 368 F N 0.594 120.657 119.950 0.189 0.000 2.404 368 F HA 0.660 5.187 4.527 0.000 0.000 0.358 368 F C -1.065 174.519 175.800 -0.360 0.000 1.120 368 F CA -1.987 56.039 58.000 0.043 0.000 1.144 368 F CB 0.361 39.487 39.000 0.211 0.000 1.133 368 F HN 0.151 nan 8.300 nan 0.000 0.495 369 F N 3.841 123.273 119.950 -0.863 0.000 2.458 369 F HA 0.457 4.985 4.527 0.000 0.000 0.330 369 F C -0.190 175.081 175.800 -0.882 0.000 1.082 369 F CA -0.754 56.797 58.000 -0.749 0.000 0.995 369 F CB 1.664 40.429 39.000 -0.393 0.000 1.170 369 F HN 0.361 nan 8.300 nan 0.000 0.478 370 Q N 1.427 121.109 119.800 -0.195 0.000 2.331 370 Q HA 0.640 4.980 4.340 0.000 0.000 0.267 370 Q C -0.699 175.430 176.000 0.216 0.000 1.006 370 Q CA -0.473 55.355 55.803 0.043 0.000 0.818 370 Q CB 1.910 30.840 28.738 0.320 0.000 1.276 370 Q HN 0.805 nan 8.270 nan 0.000 0.450 371 G N 1.491 110.442 108.800 0.251 0.000 2.448 371 G HA2 0.664 4.624 3.960 0.000 0.000 0.324 371 G HA3 0.664 4.624 3.960 0.000 0.000 0.324 371 G C -1.445 173.704 174.900 0.415 0.000 1.203 371 G CA -0.588 44.742 45.100 0.383 0.000 0.954 371 G HN 0.494 nan 8.290 nan 0.000 0.480 372 V N 2.271 122.357 119.914 0.287 0.000 2.482 372 V HA 0.302 4.423 4.120 0.000 0.000 0.295 372 V C -1.128 175.028 176.094 0.103 0.000 1.026 372 V CA -0.830 61.450 62.300 -0.035 0.000 0.856 372 V CB 1.474 33.287 31.823 -0.018 0.000 1.001 372 V HN 0.689 nan 8.190 nan 0.000 0.424 373 F N 4.514 124.345 119.950 -0.199 0.000 2.439 373 F HA 0.683 5.210 4.527 0.000 0.000 0.356 373 F C 0.931 176.648 175.800 -0.138 0.000 1.161 373 F CA -0.091 57.899 58.000 -0.016 0.000 1.151 373 F CB 0.545 39.650 39.000 0.175 0.000 1.222 373 F HN 0.781 nan 8.300 nan 0.000 0.558 374 G N 2.896 111.564 108.800 -0.221 0.000 2.245 374 G HA2 -0.055 3.905 3.960 0.000 0.000 0.116 374 G HA3 -0.055 3.905 3.960 0.000 0.000 0.116 374 G C -0.232 174.606 174.900 -0.103 0.000 1.054 374 G CA -0.290 44.624 45.100 -0.309 0.000 0.728 374 G HN 0.994 nan 8.290 nan 0.000 0.483 375 T N -2.405 112.173 114.554 0.041 0.000 2.907 375 T HA 0.737 5.087 4.350 0.000 0.000 0.284 375 T C 1.069 175.865 174.700 0.159 0.000 1.004 375 T CA 0.395 62.563 62.100 0.112 0.000 1.063 375 T CB 2.096 71.092 68.868 0.214 0.000 0.992 375 T HN 0.186 nan 8.240 nan 0.000 0.483 376 S N 1.235 116.938 115.700 0.004 0.000 2.506 376 S HA 0.350 4.820 4.470 0.000 0.000 0.219 376 S C 0.624 175.018 174.600 -0.343 0.000 1.031 376 S CA 0.062 58.227 58.200 -0.059 0.000 0.911 376 S CB 0.019 63.169 63.200 -0.083 0.000 0.812 376 S HN 1.135 nan 8.310 nan 0.000 0.497 377 S N -0.326 114.947 115.700 -0.712 0.000 2.636 377 S HA 0.482 4.952 4.470 0.000 0.000 0.266 377 S C 0.016 173.967 174.600 -1.082 0.000 1.147 377 S CA -0.759 56.749 58.200 -1.153 0.000 0.815 377 S CB 0.633 63.526 63.200 -0.511 0.000 1.119 377 S HN -0.012 nan 8.310 nan 0.000 0.470 378 L N 0.945 121.616 121.223 -0.919 0.000 1.982 378 L HA 0.480 4.820 4.340 0.000 0.000 0.206 378 L C 0.349 176.873 176.870 -0.577 0.000 1.078 378 L CA 1.481 55.936 54.840 -0.641 0.000 0.749 378 L CB -0.804 40.925 42.059 -0.550 0.000 0.894 378 L HN 0.727 nan 8.230 nan 0.000 0.436 379 L N -0.015 120.941 121.223 -0.444 0.000 2.357 379 L HA 0.273 4.613 4.340 0.000 0.000 0.273 379 L C 1.721 178.443 176.870 -0.247 0.000 1.080 379 L CA -0.497 54.132 54.840 -0.351 0.000 0.803 379 L CB 1.012 42.923 42.059 -0.247 0.000 1.174 379 L HN 0.164 nan 8.230 nan 0.000 0.443 380 R N 1.785 122.168 120.500 -0.196 0.000 2.103 380 R HA -0.184 4.156 4.340 0.000 0.000 0.242 380 R C 1.995 178.194 176.300 -0.168 0.000 1.142 380 R CA 1.621 57.632 56.100 -0.149 0.000 0.960 380 R CB -0.390 29.847 30.300 -0.105 0.000 0.858 380 R HN 0.845 nan 8.270 nan 0.000 0.439 381 A N 0.466 123.150 122.820 -0.227 0.000 2.125 381 A HA -0.126 4.194 4.320 0.000 0.000 0.219 381 A C 0.857 178.162 177.584 -0.465 0.000 1.156 381 A CA 1.133 52.969 52.037 -0.334 0.000 0.671 381 A CB -0.189 18.570 19.000 -0.402 0.000 0.794 381 A HN 0.324 nan 8.150 nan 0.000 0.459 382 H N -2.011 116.987 119.070 -0.119 0.000 2.567 382 H HA 0.289 4.845 4.556 0.000 0.000 0.267 382 H C -0.104 175.137 175.328 -0.145 0.000 1.148 382 H CA -0.336 55.641 56.048 -0.118 0.000 1.031 382 H CB -0.126 29.564 29.762 -0.120 0.000 1.691 382 H HN 0.453 nan 8.280 nan 0.000 0.588 383 M N 3.610 123.166 119.600 -0.074 0.000 2.162 383 M HA 0.217 4.697 4.480 0.000 0.000 0.356 383 M C -2.193 174.070 176.300 -0.062 0.000 1.303 383 M CA -1.394 53.847 55.300 -0.099 0.000 1.116 383 M CB 0.881 33.414 32.600 -0.112 0.000 1.632 383 M HN -0.088 nan 8.290 nan 0.000 0.469 384 P HA 0.160 nan 4.420 nan 0.000 0.269 384 P C -1.090 176.186 177.300 -0.039 0.000 1.209 384 P CA -0.284 62.792 63.100 -0.040 0.000 0.776 384 P CB 0.376 32.052 31.700 -0.040 0.000 0.876 385 A N 1.868 124.671 122.820 -0.028 0.000 2.445 385 A HA 0.558 4.879 4.320 0.000 0.000 0.242 385 A C 0.705 178.278 177.584 -0.018 0.000 1.075 385 A CA 0.697 52.721 52.037 -0.021 0.000 0.777 385 A CB -0.532 18.459 19.000 -0.015 0.000 1.013 385 A HN 0.840 nan 8.150 nan 0.000 0.493 386 G N 0.493 109.289 108.800 -0.006 0.000 2.405 386 G HA2 0.389 4.349 3.960 0.000 0.000 0.303 386 G HA3 0.389 4.349 3.960 0.000 0.000 0.303 386 G C -0.842 174.083 174.900 0.042 0.000 1.644 386 G CA -0.461 44.641 45.100 0.004 0.000 0.899 386 G HN 0.985 nan 8.290 nan 0.000 0.667 387 E N 1.221 121.477 120.200 0.094 0.000 2.493 387 E HA 0.129 4.479 4.350 0.000 0.000 0.255 387 E C 1.098 177.837 176.600 0.232 0.000 0.999 387 E CA 0.681 57.183 56.400 0.170 0.000 0.934 387 E CB 0.151 30.008 29.700 0.261 0.000 0.940 387 E HN 0.637 nan 8.360 nan 0.000 0.473 388 N N 2.792 121.587 118.700 0.158 0.000 2.900 388 N HA -0.219 4.521 4.740 0.000 0.000 0.240 388 N C -1.079 174.494 175.510 0.104 0.000 0.953 388 N CA 1.038 54.183 53.050 0.158 0.000 0.950 388 N CB -1.200 37.452 38.487 0.275 0.000 1.102 388 N HN 0.549 nan 8.380 nan 0.000 0.593 389 N N 0.733 119.466 118.700 0.056 0.000 2.353 389 N HA 0.217 4.957 4.740 0.000 0.000 0.248 389 N C 0.085 175.600 175.510 0.009 0.000 1.240 389 N CA 0.564 53.618 53.050 0.007 0.000 0.862 389 N CB 0.416 38.891 38.487 -0.021 0.000 1.086 389 N HN 0.500 nan 8.380 nan 0.000 0.453 390 I N -0.209 120.361 120.570 -0.001 0.000 2.769 390 I HA 0.337 4.507 4.170 0.000 0.000 0.298 390 I C -0.371 175.725 176.117 -0.035 0.000 1.128 390 I CA -0.590 60.712 61.300 0.005 0.000 1.031 390 I CB 1.511 39.545 38.000 0.057 0.000 1.235 390 I HN 0.610 nan 8.210 nan 0.000 0.423 391 S N 4.498 120.162 115.700 -0.060 0.000 2.651 391 S HA 0.378 4.848 4.470 0.000 0.000 0.291 391 S C 0.871 175.426 174.600 -0.075 0.000 1.141 391 S CA -0.720 57.401 58.200 -0.132 0.000 1.027 391 S CB 1.860 64.952 63.200 -0.181 0.000 1.043 391 S HN 0.473 nan 8.310 nan 0.000 0.530 392 V N 1.416 121.257 119.914 -0.123 0.000 2.332 392 V HA -0.190 3.930 4.120 0.000 0.000 0.248 392 V C 2.779 178.868 176.094 -0.008 0.000 1.055 392 V CA 2.464 64.752 62.300 -0.021 0.000 1.038 392 V CB -1.252 30.534 31.823 -0.061 0.000 0.651 392 V HN 1.079 nan 8.190 nan 0.000 0.450 393 E N 0.267 120.353 120.200 -0.191 0.000 2.070 393 E HA -0.339 4.011 4.350 0.000 0.000 0.197 393 E C 2.251 178.889 176.600 0.064 0.000 1.004 393 E CA 2.031 58.393 56.400 -0.063 0.000 0.805 393 E CB -0.219 29.371 29.700 -0.183 0.000 0.744 393 E HN 0.748 nan 8.360 nan 0.000 0.451 394 E N 0.152 120.351 120.200 -0.001 0.000 2.085 394 E HA -0.215 4.135 4.350 0.000 0.000 0.194 394 E C 2.122 178.710 176.600 -0.020 0.000 0.994 394 E CA 1.541 57.936 56.400 -0.010 0.000 0.801 394 E CB -0.165 29.534 29.700 -0.002 0.000 0.743 394 E HN 0.416 nan 8.360 nan 0.000 0.453 395 I N 0.347 120.963 120.570 0.077 0.000 2.179 395 I HA -0.249 3.921 4.170 0.000 0.000 0.242 395 I C 2.391 178.527 176.117 0.032 0.000 1.088 395 I CA 0.692 62.075 61.300 0.138 0.000 1.357 395 I CB -0.190 37.976 38.000 0.276 0.000 1.051 395 I HN 0.062 nan 8.210 nan 0.000 0.409 396 V N 0.788 120.806 119.914 0.173 0.000 2.295 396 V HA -0.288 3.832 4.120 0.000 0.000 0.246 396 V C 2.374 178.480 176.094 0.020 0.000 1.049 396 V CA 1.993 64.425 62.300 0.219 0.000 1.024 396 V CB -0.767 31.346 31.823 0.484 0.000 0.648 396 V HN 0.434 nan 8.190 nan 0.000 0.447 397 E N 0.417 120.612 120.200 -0.008 0.000 2.086 397 E HA -0.236 4.114 4.350 0.000 0.000 0.200 397 E C 2.322 178.711 176.600 -0.352 0.000 1.012 397 E CA 1.501 57.834 56.400 -0.112 0.000 0.812 397 E CB -0.620 29.024 29.700 -0.094 0.000 0.743 397 E HN 0.658 nan 8.360 nan 0.000 0.453 398 G N 0.122 108.476 108.800 -0.744 0.000 2.446 398 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 398 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 398 G C 1.140 175.289 174.900 -1.253 0.000 1.168 398 G CA 0.968 45.019 45.100 -1.748 0.000 0.771 398 G HN 0.193 nan 8.290 nan 0.000 0.551 399 Y N 0.651 120.517 120.300 -0.723 0.000 2.184 399 Y HA -0.010 4.540 4.550 0.000 0.000 0.290 399 Y C 3.210 179.074 175.900 -0.060 0.000 1.129 399 Y CA 1.502 59.385 58.100 -0.363 0.000 1.144 399 Y CB -0.303 37.628 38.460 -0.880 0.000 0.995 399 Y HN 0.240 nan 8.280 nan 0.000 0.513 400 Q N -0.422 119.413 119.800 0.058 0.000 2.096 400 Q HA -0.131 4.210 4.340 0.000 0.000 0.197 400 Q C 1.760 177.795 176.000 0.059 0.000 0.964 400 Q CA 1.025 56.895 55.803 0.111 0.000 0.838 400 Q CB -0.177 28.627 28.738 0.111 0.000 0.906 400 Q HN 0.446 nan 8.270 nan 0.000 0.444 401 N N 1.050 119.743 118.700 -0.011 0.000 2.289 401 N HA -0.100 4.641 4.740 0.000 0.000 0.184 401 N C 0.893 176.412 175.510 0.014 0.000 1.016 401 N CA 0.892 53.932 53.050 -0.017 0.000 0.872 401 N CB -0.151 38.298 38.487 -0.063 0.000 0.973 401 N HN 0.257 nan 8.380 nan 0.000 0.433 402 N N 0.930 119.667 118.700 0.061 0.000 2.268 402 N HA -0.018 4.722 4.740 0.000 0.000 0.204 402 N C -0.285 175.284 175.510 0.098 0.000 1.124 402 N CA -0.014 53.111 53.050 0.126 0.000 0.838 402 N CB 0.045 38.698 38.487 0.277 0.000 0.994 402 N HN 0.110 nan 8.380 nan 0.000 0.489 403 N N 0.370 119.130 118.700 0.100 0.000 2.740 403 N HA -0.211 4.529 4.740 0.000 0.000 0.248 403 N C -1.235 174.277 175.510 0.003 0.000 1.062 403 N CA 0.279 53.356 53.050 0.044 0.000 0.704 403 N CB -1.871 36.600 38.487 -0.027 0.000 0.968 403 N HN 0.133 nan 8.380 nan 0.000 0.547 404 F N 0.341 120.370 119.950 0.131 0.000 2.412 404 F HA 0.349 4.876 4.527 0.000 0.000 0.348 404 F C -1.324 174.533 175.800 0.095 0.000 1.102 404 F CA -1.746 56.347 58.000 0.156 0.000 1.196 404 F CB 0.681 39.888 39.000 0.345 0.000 1.144 404 F HN 0.021 nan 8.300 nan 0.000 0.541 405 P HA 0.002 nan 4.420 nan 0.000 0.267 405 P C -1.031 176.303 177.300 0.056 0.000 1.209 405 P CA 0.387 63.346 63.100 -0.234 0.000 0.763 405 P CB 0.149 31.267 31.700 -0.969 0.000 0.816 406 F N 3.093 123.030 119.950 -0.020 0.000 2.607 406 F HA 0.295 4.822 4.527 0.000 0.000 0.322 406 F C 0.797 176.581 175.800 -0.025 0.000 1.176 406 F CA -0.879 57.128 58.000 0.011 0.000 0.977 406 F CB 2.037 41.042 39.000 0.009 0.000 1.242 406 F HN 0.124 nan 8.300 nan 0.000 0.465 407 E N 3.075 122.840 120.200 -0.724 0.000 2.190 407 E HA 0.462 4.813 4.350 0.000 0.000 0.191 407 E C 0.883 176.872 176.600 -1.018 0.000 0.978 407 E CA 1.307 57.221 56.400 -0.810 0.000 0.839 407 E CB 0.252 29.249 29.700 -1.172 0.000 0.787 407 E HN 0.995 nan 8.360 nan 0.000 0.473 408 G N -1.373 106.488 108.800 -1.565 0.000 2.332 408 G HA2 0.138 4.098 3.960 0.000 0.000 0.265 408 G HA3 0.138 4.098 3.960 0.000 0.000 0.265 408 G C -1.643 173.084 174.900 -0.288 0.000 1.329 408 G CA -0.541 44.072 45.100 -0.811 0.000 0.949 408 G HN 0.050 nan 8.290 nan 0.000 0.476 409 L N 0.257 121.614 121.223 0.223 0.000 2.354 409 L HA 0.813 5.153 4.340 0.000 0.000 0.269 409 L C 0.420 177.490 176.870 0.333 0.000 1.005 409 L CA -0.769 54.264 54.840 0.322 0.000 0.819 409 L CB 2.382 44.641 42.059 0.333 0.000 1.311 409 L HN 1.100 nan 8.230 nan 0.000 0.423 410 A N 2.317 125.304 122.820 0.279 0.000 2.412 410 A HA 0.640 4.960 4.320 0.000 0.000 0.334 410 A C -0.572 177.274 177.584 0.436 0.000 1.419 410 A CA -0.480 51.739 52.037 0.303 0.000 0.930 410 A CB 0.299 19.250 19.000 -0.083 0.000 1.149 410 A HN 0.382 nan 8.150 nan 0.000 0.515 411 V N 3.710 123.846 119.914 0.369 0.000 2.408 411 V HA 0.121 4.241 4.120 0.000 0.000 0.267 411 V C 0.453 176.621 176.094 0.122 0.000 1.047 411 V CA -0.389 62.041 62.300 0.215 0.000 0.937 411 V CB 0.724 32.604 31.823 0.094 0.000 0.999 411 V HN 0.869 nan 8.190 nan 0.000 0.472 412 D N 2.677 123.220 120.400 0.238 0.000 2.440 412 D HA 0.166 4.807 4.640 0.000 0.000 0.269 412 D C 1.392 177.659 176.300 -0.056 0.000 1.249 412 D CA -0.039 54.103 54.000 0.238 0.000 1.055 412 D CB 1.865 42.950 40.800 0.475 0.000 1.104 412 D HN 0.361 nan 8.370 nan 0.000 0.561 413 V N -0.641 119.235 119.914 -0.063 0.000 2.867 413 V HA -0.187 3.934 4.120 0.000 0.000 0.260 413 V C 1.154 177.161 176.094 -0.145 0.000 1.099 413 V CA 1.871 64.069 62.300 -0.170 0.000 1.122 413 V CB -0.916 30.790 31.823 -0.194 0.000 0.708 413 V HN 0.416 nan 8.190 nan 0.000 0.490 414 D N 0.163 120.547 120.400 -0.027 0.000 2.363 414 D HA -0.147 4.493 4.640 0.000 0.000 0.220 414 D C 1.913 178.053 176.300 -0.266 0.000 0.994 414 D CA 1.085 55.053 54.000 -0.054 0.000 0.890 414 D CB -0.440 40.400 40.800 0.067 0.000 0.906 414 D HN 0.538 nan 8.370 nan 0.000 0.530 415 M N -0.285 118.968 119.600 -0.577 0.000 2.319 415 M HA -0.076 4.404 4.480 0.000 0.000 0.265 415 M C 0.314 176.317 176.300 -0.496 0.000 1.068 415 M CA 0.750 55.400 55.300 -1.083 0.000 1.118 415 M CB 0.054 32.007 32.600 -1.079 0.000 1.395 415 M HN -0.101 nan 8.290 nan 0.000 0.435 416 Q N 1.472 121.076 119.800 -0.327 0.000 2.417 416 Q HA 0.012 4.352 4.340 0.000 0.000 0.241 416 Q C -0.511 175.390 176.000 -0.165 0.000 1.008 416 Q CA -0.198 55.464 55.803 -0.234 0.000 0.901 416 Q CB 0.474 29.056 28.738 -0.260 0.000 1.259 416 Q HN 0.136 nan 8.270 nan 0.000 0.489 417 D N 1.905 122.217 120.400 -0.148 0.000 2.402 417 D HA -0.026 4.614 4.640 0.000 0.000 0.235 417 D C -0.385 175.821 176.300 -0.157 0.000 1.226 417 D CA 0.079 54.005 54.000 -0.123 0.000 0.918 417 D CB -0.308 40.427 40.800 -0.109 0.000 1.043 417 D HN 0.485 nan 8.370 nan 0.000 0.506 418 N N 4.389 123.018 118.700 -0.119 0.000 2.725 418 N HA -0.243 4.498 4.740 0.000 0.000 0.251 418 N C 0.161 175.598 175.510 -0.121 0.000 1.031 418 N CA 0.884 53.871 53.050 -0.105 0.000 0.720 418 N CB -1.118 37.317 38.487 -0.086 0.000 0.930 418 N HN 0.730 nan 8.380 nan 0.000 0.543 419 L N -3.513 117.630 121.223 -0.134 0.000 4.496 419 L HA -0.334 4.006 4.340 0.000 0.000 0.419 419 L C 0.186 176.956 176.870 -0.167 0.000 1.139 419 L CA 1.026 55.813 54.840 -0.087 0.000 0.975 419 L CB -1.392 40.718 42.059 0.086 0.000 2.099 419 L HN 0.364 nan 8.230 nan 0.000 0.818 420 R N 0.806 121.107 120.500 -0.331 0.000 2.220 420 R HA 0.431 4.771 4.340 0.000 0.000 0.340 420 R C 0.282 176.353 176.300 -0.381 0.000 1.076 420 R CA -0.349 55.400 56.100 -0.585 0.000 0.920 420 R CB 1.537 31.216 30.300 -1.035 0.000 1.062 420 R HN 0.063 nan 8.270 nan 0.000 0.469 421 V N 4.988 124.709 119.914 -0.322 0.000 2.872 421 V HA -0.075 4.045 4.120 0.000 0.000 0.307 421 V C 0.364 176.247 176.094 -0.351 0.000 1.072 421 V CA 0.847 62.840 62.300 -0.511 0.000 1.148 421 V CB -0.379 31.001 31.823 -0.739 0.000 0.954 421 V HN 0.923 nan 8.190 nan 0.000 0.490 422 F N 1.792 121.559 119.950 -0.304 0.000 2.656 422 F HA -0.181 4.346 4.527 0.000 0.000 0.381 422 F C 0.789 176.485 175.800 -0.174 0.000 0.603 422 F CA 1.087 58.899 58.000 -0.313 0.000 1.335 422 F CB -2.610 36.159 39.000 -0.386 0.000 1.836 422 F HN 0.820 nan 8.300 nan 0.000 0.290 423 T N -1.878 112.649 114.554 -0.046 0.000 2.949 423 T HA 0.816 5.166 4.350 0.000 0.000 0.287 423 T C 0.163 174.838 174.700 -0.042 0.000 1.034 423 T CA 0.111 62.198 62.100 -0.021 0.000 1.018 423 T CB 2.843 71.675 68.868 -0.060 0.000 1.135 423 T HN 0.462 nan 8.240 nan 0.000 0.532 424 T N -1.454 113.122 114.554 0.037 0.000 2.901 424 T HA 0.710 5.060 4.350 0.000 0.000 0.293 424 T C -0.902 173.853 174.700 0.091 0.000 1.084 424 T CA -1.158 60.984 62.100 0.071 0.000 1.008 424 T CB 1.780 70.820 68.868 0.287 0.000 1.170 424 T HN 1.047 nan 8.240 nan 0.000 0.509 425 K N 0.014 120.489 120.400 0.123 0.000 2.221 425 K HA 0.656 4.976 4.320 0.000 0.000 0.243 425 K C 1.375 178.110 176.600 0.224 0.000 0.968 425 K CA -0.887 55.473 56.287 0.121 0.000 0.846 425 K CB 1.253 33.804 32.500 0.085 0.000 1.141 425 K HN 0.701 nan 8.250 nan 0.000 0.434 426 G N 1.267 110.107 108.800 0.066 0.000 2.485 426 G HA2 -0.274 3.686 3.960 0.000 0.000 0.221 426 G HA3 -0.274 3.686 3.960 0.000 0.000 0.221 426 G C 0.838 175.797 174.900 0.098 0.000 1.115 426 G CA 0.819 45.925 45.100 0.009 0.000 0.751 426 G HN 0.798 nan 8.290 nan 0.000 0.567 427 E N -0.454 119.799 120.200 0.088 0.000 2.338 427 E HA 0.020 4.371 4.350 0.000 0.000 0.197 427 E C 1.070 177.572 176.600 -0.163 0.000 1.007 427 E CA 0.365 56.738 56.400 -0.046 0.000 0.849 427 E CB -0.185 29.462 29.700 -0.089 0.000 0.774 427 E HN 0.576 nan 8.360 nan 0.000 0.506 428 F N -1.124 118.850 119.950 0.040 0.000 2.645 428 F HA 0.219 4.746 4.527 0.000 0.000 0.300 428 F C -0.258 175.420 175.800 -0.203 0.000 1.115 428 F CA -0.367 57.568 58.000 -0.109 0.000 1.355 428 F CB 0.292 39.184 39.000 -0.181 0.000 1.026 428 F HN -0.093 nan 8.300 nan 0.000 0.536 429 W N -0.346 120.902 121.300 -0.087 0.000 2.761 429 W HA 0.305 4.965 4.660 0.000 0.000 0.340 429 W C 1.562 178.015 176.519 -0.110 0.000 1.072 429 W CA -0.914 56.380 57.345 -0.085 0.000 1.215 429 W CB 0.982 30.405 29.460 -0.061 0.000 1.420 429 W HN -0.152 nan 8.180 nan 0.000 0.519 430 T N -1.637 113.009 114.554 0.153 0.000 2.833 430 T HA -0.124 4.226 4.350 0.000 0.000 0.269 430 T C 1.335 176.139 174.700 0.173 0.000 1.054 430 T CA 1.479 63.658 62.100 0.131 0.000 1.135 430 T CB -0.204 68.759 68.868 0.158 0.000 0.869 430 T HN 0.449 nan 8.240 nan 0.000 0.466 431 A N 0.928 123.824 122.820 0.125 0.000 2.379 431 A HA 0.385 4.705 4.320 0.000 0.000 0.236 431 A C 1.032 178.489 177.584 -0.212 0.000 1.272 431 A CA 0.195 52.246 52.037 0.023 0.000 0.886 431 A CB -1.121 17.908 19.000 0.048 0.000 0.962 431 A HN 0.706 nan 8.150 nan 0.000 0.504 432 N N -0.568 117.928 118.700 -0.340 0.000 2.741 432 N HA -0.202 4.538 4.740 0.000 0.000 0.250 432 N C -0.469 174.895 175.510 -0.243 0.000 1.115 432 N CA 0.948 53.723 53.050 -0.458 0.000 0.724 432 N CB -0.472 37.463 38.487 -0.921 0.000 1.090 432 N HN 0.833 nan 8.380 nan 0.000 0.558 433 R N -1.555 118.823 120.500 -0.204 0.000 2.698 433 R HA 0.550 4.891 4.340 0.000 0.000 0.275 433 R C -0.636 175.262 176.300 -0.670 0.000 1.001 433 R CA -0.933 54.982 56.100 -0.308 0.000 0.896 433 R CB 1.251 31.405 30.300 -0.243 0.000 1.218 433 R HN -0.127 nan 8.270 nan 0.000 0.462 434 V N 2.014 121.443 119.914 -0.807 0.000 2.521 434 V HA 0.354 4.475 4.120 0.000 0.000 0.286 434 V C 0.822 176.181 176.094 -1.224 0.000 1.034 434 V CA 0.515 61.976 62.300 -1.399 0.000 1.045 434 V CB 0.918 32.360 31.823 -0.634 0.000 0.974 434 V HN 0.925 nan 8.190 nan 0.000 0.480 435 G N 2.750 110.380 108.800 -1.950 0.000 2.705 435 G HA2 0.507 4.467 3.960 0.000 0.000 0.299 435 G HA3 0.507 4.467 3.960 0.000 0.000 0.299 435 G C 0.693 175.421 174.900 -0.287 0.000 1.315 435 G CA 0.275 44.903 45.100 -0.787 0.000 1.045 435 G HN 0.712 nan 8.290 nan 0.000 0.517 436 T N -3.333 111.217 114.554 -0.007 0.000 3.069 436 T HA 0.492 4.842 4.350 0.000 0.000 0.252 436 T C 1.022 175.852 174.700 0.217 0.000 1.053 436 T CA 0.770 62.931 62.100 0.102 0.000 0.964 436 T CB -0.234 68.660 68.868 0.043 0.000 1.005 436 T HN 2.256 nan 8.240 nan 0.000 0.532 437 G N -0.332 108.668 108.800 0.333 0.000 2.650 437 G HA2 0.417 4.377 3.960 0.000 0.000 0.686 437 G HA3 0.417 4.377 3.960 0.000 0.000 0.686 437 G C 0.475 175.500 174.900 0.208 0.000 1.205 437 G CA -0.241 45.044 45.100 0.309 0.000 0.781 437 G HN 1.539 nan 8.290 nan 0.000 0.648 438 G N -0.308 108.605 108.800 0.187 0.000 2.160 438 G HA2 0.047 4.007 3.960 0.000 0.000 0.251 438 G HA3 0.047 4.007 3.960 0.000 0.000 0.251 438 G C 0.133 175.112 174.900 0.132 0.000 1.008 438 G CA 1.332 46.516 45.100 0.140 0.000 0.724 438 G HN 1.840 nan 8.290 nan 0.000 0.514 439 D N 0.105 120.604 120.400 0.165 0.000 2.392 439 D HA 0.476 5.116 4.640 0.000 0.000 0.228 439 D C -0.306 176.081 176.300 0.144 0.000 1.074 439 D CA -2.204 51.881 54.000 0.143 0.000 0.838 439 D CB 1.510 42.402 40.800 0.153 0.000 1.067 439 D HN 0.109 nan 8.370 nan 0.000 0.511 440 P HA -0.040 nan 4.420 nan 0.000 0.230 440 P C 0.322 177.690 177.300 0.113 0.000 1.158 440 P CA 0.458 63.622 63.100 0.106 0.000 0.769 440 P CB 0.524 32.272 31.700 0.079 0.000 0.807 441 N N -0.241 118.525 118.700 0.110 0.000 2.280 441 N HA 0.018 4.758 4.740 0.000 0.000 0.192 441 N C 0.007 175.598 175.510 0.134 0.000 1.109 441 N CA 0.326 53.441 53.050 0.108 0.000 0.855 441 N CB -0.092 38.443 38.487 0.079 0.000 0.974 441 N HN 0.145 nan 8.380 nan 0.000 0.482 442 N N 0.696 119.504 118.700 0.179 0.000 2.827 442 N HA 0.138 4.878 4.740 0.000 0.000 0.240 442 N C -1.418 174.320 175.510 0.380 0.000 1.352 442 N CA -0.252 52.951 53.050 0.255 0.000 0.760 442 N CB 0.609 39.218 38.487 0.203 0.000 1.426 442 N HN -0.138 nan 8.380 nan 0.000 0.561 443 R N 0.692 121.365 120.500 0.288 0.000 2.428 443 R HA 0.499 4.840 4.340 0.000 0.000 0.294 443 R C 0.486 176.730 176.300 -0.093 0.000 1.000 443 R CA -0.638 55.562 56.100 0.167 0.000 0.960 443 R CB 1.112 31.525 30.300 0.188 0.000 1.076 443 R HN 0.630 nan 8.270 nan 0.000 0.475 444 S N 0.840 116.156 115.700 -0.640 0.000 2.634 444 S HA -0.005 4.466 4.470 0.000 0.000 0.261 444 S C 1.347 175.568 174.600 -0.631 0.000 1.271 444 S CA -0.644 56.748 58.200 -1.347 0.000 0.985 444 S CB 1.290 63.548 63.200 -1.569 0.000 0.968 444 S HN 0.479 nan 8.310 nan 0.000 0.568 445 V N 0.855 120.325 119.914 -0.740 0.000 2.324 445 V HA -0.167 3.953 4.120 0.000 0.000 0.250 445 V C 1.779 177.694 176.094 -0.298 0.000 1.060 445 V CA 2.130 64.133 62.300 -0.496 0.000 1.042 445 V CB -1.203 30.262 31.823 -0.596 0.000 0.650 445 V HN 0.806 nan 8.190 nan 0.000 0.450 446 F N 0.810 120.665 119.950 -0.158 0.000 2.206 446 F HA 0.049 4.576 4.527 0.000 0.000 0.298 446 F C 2.453 178.068 175.800 -0.308 0.000 1.090 446 F CA 1.626 59.501 58.000 -0.209 0.000 1.323 446 F CB -0.861 38.003 39.000 -0.227 0.000 1.028 446 F HN 0.241 nan 8.300 nan 0.000 0.492 447 E N -1.061 119.120 120.200 -0.031 0.000 2.072 447 E HA -0.220 4.130 4.350 0.000 0.000 0.190 447 E C 1.936 178.615 176.600 0.131 0.000 0.982 447 E CA 1.123 57.545 56.400 0.037 0.000 0.803 447 E CB -0.458 29.281 29.700 0.065 0.000 0.755 447 E HN 0.532 nan 8.360 nan 0.000 0.453 448 W N 1.546 122.812 121.300 -0.057 0.000 2.358 448 W HA -0.188 4.472 4.660 0.000 0.000 0.303 448 W C 2.268 178.808 176.519 0.035 0.000 1.208 448 W CA 1.933 59.274 57.345 -0.008 0.000 1.274 448 W CB -0.125 29.309 29.460 -0.042 0.000 1.138 448 W HN 0.027 nan 8.180 nan 0.000 0.515 449 A N -0.521 122.486 122.820 0.312 0.000 1.933 449 A HA -0.248 4.072 4.320 0.000 0.000 0.218 449 A C 1.770 179.414 177.584 0.100 0.000 1.175 449 A CA 1.901 54.046 52.037 0.181 0.000 0.628 449 A CB -1.313 17.849 19.000 0.270 0.000 0.814 449 A HN 0.456 nan 8.150 nan 0.000 0.444 450 H N 0.539 119.659 119.070 0.084 0.000 2.319 450 H HA -0.127 4.429 4.556 0.000 0.000 0.297 450 H C 1.409 176.721 175.328 -0.026 0.000 1.097 450 H CA 1.738 57.818 56.048 0.054 0.000 1.285 450 H CB -0.371 29.438 29.762 0.079 0.000 1.368 450 H HN 0.436 nan 8.280 nan 0.000 0.495 451 D N 0.311 120.733 120.400 0.037 0.000 2.310 451 D HA -0.079 4.561 4.640 0.000 0.000 0.212 451 D C 1.544 177.729 176.300 -0.193 0.000 0.965 451 D CA 0.577 54.522 54.000 -0.091 0.000 0.879 451 D CB 0.144 40.859 40.800 -0.140 0.000 0.921 451 D HN 0.211 nan 8.370 nan 0.000 0.510 452 K N -0.310 119.932 120.400 -0.263 0.000 2.404 452 K HA 0.155 4.475 4.320 0.000 0.000 0.194 452 K C 1.059 177.629 176.600 -0.050 0.000 1.023 452 K CA 0.244 56.392 56.287 -0.232 0.000 1.094 452 K CB 0.785 33.058 32.500 -0.378 0.000 0.841 452 K HN 0.135 nan 8.250 nan 0.000 0.523 453 G N 1.563 110.365 108.800 0.005 0.000 2.136 453 G HA2 -0.246 3.714 3.960 0.000 0.000 0.242 453 G HA3 -0.246 3.714 3.960 0.000 0.000 0.242 453 G C 0.021 174.967 174.900 0.077 0.000 0.989 453 G CA 0.136 45.271 45.100 0.059 0.000 0.682 453 G HN 0.211 nan 8.290 nan 0.000 0.522 454 L N -0.451 120.823 121.223 0.084 0.000 2.332 454 L HA 0.880 5.221 4.340 0.000 0.000 0.269 454 L C 0.822 177.775 176.870 0.138 0.000 1.016 454 L CA -1.456 53.406 54.840 0.037 0.000 0.809 454 L CB 1.759 43.828 42.059 0.017 0.000 1.280 454 L HN 0.215 nan 8.230 nan 0.000 0.447 455 V N -2.505 117.436 119.914 0.044 0.000 2.960 455 V HA 0.722 4.843 4.120 0.000 0.000 0.315 455 V C -0.679 175.571 176.094 0.259 0.000 1.087 455 V CA -0.786 61.569 62.300 0.091 0.000 0.982 455 V CB 1.696 33.296 31.823 -0.372 0.000 1.039 455 V HN 0.864 nan 8.190 nan 0.000 0.437 456 C N 2.849 122.303 119.300 0.257 0.000 2.712 456 C HA 0.768 5.228 4.460 0.000 0.000 0.308 456 C C -0.128 174.820 174.990 -0.070 0.000 1.201 456 C CA -0.637 58.527 59.018 0.243 0.000 1.554 456 C CB 1.522 29.489 27.740 0.378 0.000 2.117 456 C HN 1.111 nan 8.230 nan 0.000 0.480 457 Q N 0.652 120.212 119.800 -0.401 0.000 2.204 457 Q HA 0.832 5.173 4.340 0.000 0.000 0.254 457 Q C -0.753 175.062 176.000 -0.308 0.000 0.981 457 Q CA -0.307 55.032 55.803 -0.774 0.000 0.897 457 Q CB 1.761 29.730 28.738 -1.282 0.000 1.273 457 Q HN 0.629 nan 8.270 nan 0.000 0.464 458 T N 0.656 114.895 114.554 -0.524 0.000 2.916 458 T HA 0.226 4.576 4.350 0.000 0.000 0.305 458 T C -1.099 172.748 174.700 -1.421 0.000 1.119 458 T CA -0.796 60.876 62.100 -0.714 0.000 1.008 458 T CB 1.333 70.001 68.868 -0.333 0.000 1.129 458 T HN 0.680 nan 8.240 nan 0.000 0.480 459 N N 4.245 121.773 118.700 -1.952 0.000 2.416 459 N HA 0.078 4.818 4.740 0.000 0.000 0.271 459 N C -0.613 174.297 175.510 -0.999 0.000 1.245 459 N CA 0.016 51.899 53.050 -1.945 0.000 0.940 459 N CB -0.131 37.723 38.487 -1.055 0.000 1.175 459 N HN 0.443 nan 8.380 nan 0.000 0.483 460 I N 3.484 123.565 120.570 -0.815 0.000 2.328 460 I HA 0.162 4.332 4.170 0.000 0.000 0.287 460 I C 0.975 176.918 176.117 -0.290 0.000 1.012 460 I CA -0.531 60.429 61.300 -0.566 0.000 1.195 460 I CB 0.306 38.056 38.000 -0.415 0.000 1.350 460 I HN 0.377 nan 8.210 nan 0.000 0.464 461 T N 1.696 116.054 114.554 -0.326 0.000 2.897 461 T HA 0.355 4.705 4.350 0.000 0.000 0.278 461 T C 0.769 175.461 174.700 -0.013 0.000 0.981 461 T CA -0.662 61.349 62.100 -0.148 0.000 0.973 461 T CB 1.637 70.325 68.868 -0.301 0.000 1.092 461 T HN 0.733 nan 8.240 nan 0.000 0.543 462 C N -0.166 119.223 119.300 0.148 0.000 2.863 462 C HA 0.633 5.093 4.460 0.000 0.000 0.284 462 C C 0.139 175.301 174.990 0.288 0.000 1.426 462 C CA -1.391 57.797 59.018 0.285 0.000 1.782 462 C CB -2.402 25.559 27.740 0.368 0.000 2.554 462 C HN 0.734 nan 8.230 nan 0.000 0.566 463 F N -0.054 119.971 119.950 0.125 0.000 2.469 463 F HA 0.857 5.384 4.527 0.000 0.000 0.332 463 F C -0.906 174.845 175.800 -0.083 0.000 1.103 463 F CA -1.638 56.249 58.000 -0.189 0.000 0.979 463 F CB 0.754 39.626 39.000 -0.214 0.000 1.137 463 F HN -0.123 nan 8.300 nan 0.000 0.463 464 L N 4.929 126.164 121.223 0.020 0.000 2.295 464 L HA 0.449 4.789 4.340 0.000 0.000 0.281 464 L C 0.403 177.411 176.870 0.231 0.000 1.018 464 L CA -0.772 54.177 54.840 0.182 0.000 0.841 464 L CB 1.217 43.384 42.059 0.180 0.000 1.218 464 L HN 0.734 nan 8.230 nan 0.000 0.424 465 R N 1.696 122.408 120.500 0.354 0.000 2.481 465 R HA -0.155 4.185 4.340 0.000 0.000 0.291 465 R C 0.512 176.944 176.300 0.220 0.000 0.934 465 R CA 0.460 56.703 56.100 0.238 0.000 1.116 465 R CB 0.362 30.714 30.300 0.086 0.000 0.895 465 R HN 0.621 nan 8.270 nan 0.000 0.410 466 N N 1.393 120.154 118.700 0.102 0.000 2.407 466 N HA -0.062 4.678 4.740 0.000 0.000 0.182 466 N C -0.879 174.664 175.510 0.055 0.000 1.079 466 N CA 0.249 53.336 53.050 0.062 0.000 0.882 466 N CB 0.486 38.977 38.487 0.007 0.000 1.106 466 N HN 0.575 nan 8.380 nan 0.000 0.461 467 D N -0.151 120.280 120.400 0.052 0.000 2.494 467 D HA 0.126 4.767 4.640 0.000 0.000 0.217 467 D C -0.314 176.012 176.300 0.043 0.000 1.153 467 D CA -0.232 53.795 54.000 0.044 0.000 0.954 467 D CB -0.058 40.771 40.800 0.048 0.000 1.034 467 D HN 0.066 nan 8.370 nan 0.000 0.518 468 N N 1.567 120.298 118.700 0.051 0.000 2.280 468 N HA -0.052 4.688 4.740 0.000 0.000 0.192 468 N C -0.385 175.142 175.510 0.028 0.000 1.109 468 N CA -0.046 53.033 53.050 0.049 0.000 0.855 468 N CB 0.287 38.836 38.487 0.103 0.000 0.974 468 N HN 0.516 nan 8.380 nan 0.000 0.482 469 E N -0.238 119.976 120.200 0.023 0.000 2.252 469 E HA -0.246 4.104 4.350 0.000 0.000 0.218 469 E C 0.814 177.421 176.600 0.012 0.000 1.253 469 E CA 0.279 56.688 56.400 0.015 0.000 0.705 469 E CB -1.682 28.023 29.700 0.009 0.000 1.172 469 E HN 0.516 nan 8.360 nan 0.000 0.369 470 G N -0.375 108.434 108.800 0.016 0.000 2.234 470 G HA2 -0.404 3.556 3.960 0.000 0.000 0.260 470 G HA3 -0.404 3.556 3.960 0.000 0.000 0.260 470 G C 0.211 175.122 174.900 0.017 0.000 0.987 470 G CA 0.535 45.644 45.100 0.013 0.000 0.625 470 G HN 0.374 nan 8.290 nan 0.000 0.532 471 Q N 0.784 120.598 119.800 0.023 0.000 2.267 471 Q HA 0.341 4.681 4.340 0.000 0.000 0.255 471 Q C -0.826 175.210 176.000 0.061 0.000 0.923 471 Q CA -0.510 55.311 55.803 0.031 0.000 0.925 471 Q CB 1.020 29.769 28.738 0.019 0.000 1.195 471 Q HN 0.238 nan 8.270 nan 0.000 0.417 472 D N 2.581 123.016 120.400 0.058 0.000 2.344 472 D HA -0.022 4.618 4.640 0.000 0.000 0.253 472 D C -1.388 174.997 176.300 0.141 0.000 1.255 472 D CA -0.001 54.044 54.000 0.075 0.000 0.894 472 D CB 0.121 40.946 40.800 0.042 0.000 1.067 472 D HN 0.350 nan 8.370 nan 0.000 0.492 473 Y N 4.462 124.766 120.300 0.007 0.000 2.595 473 Y HA 0.189 4.739 4.550 0.000 0.000 0.336 473 Y C 1.155 177.075 175.900 0.032 0.000 0.996 473 Y CA -0.895 57.214 58.100 0.014 0.000 1.260 473 Y CB 0.705 39.174 38.460 0.016 0.000 1.108 473 Y HN 0.412 nan 8.280 nan 0.000 0.509 474 E N 3.103 123.290 120.200 -0.022 0.000 2.097 474 E HA -0.154 4.196 4.350 0.000 0.000 0.196 474 E C 1.608 178.077 176.600 -0.219 0.000 1.000 474 E CA 1.625 57.966 56.400 -0.097 0.000 0.804 474 E CB 0.306 29.988 29.700 -0.032 0.000 0.740 474 E HN 0.659 nan 8.360 nan 0.000 0.454 475 V N 2.084 121.716 119.914 -0.471 0.000 2.427 475 V HA -0.222 3.898 4.120 0.000 0.000 0.248 475 V C 2.445 178.419 176.094 -0.200 0.000 1.051 475 V CA 1.793 63.911 62.300 -0.303 0.000 1.048 475 V CB -0.651 31.011 31.823 -0.270 0.000 0.666 475 V HN 0.334 nan 8.190 nan 0.000 0.456 476 N N 0.108 118.399 118.700 -0.682 0.000 2.142 476 N HA -0.221 4.519 4.740 0.000 0.000 0.186 476 N C 2.000 177.427 175.510 -0.139 0.000 1.023 476 N CA 1.675 54.557 53.050 -0.280 0.000 0.852 476 N CB 0.036 38.404 38.487 -0.198 0.000 0.998 476 N HN 0.442 nan 8.380 nan 0.000 0.424 477 Q N 0.690 120.405 119.800 -0.142 0.000 2.084 477 Q HA -0.092 4.249 4.340 0.000 0.000 0.202 477 Q C 2.002 177.982 176.000 -0.033 0.000 0.978 477 Q CA 2.504 58.270 55.803 -0.062 0.000 0.844 477 Q CB -0.908 27.805 28.738 -0.040 0.000 0.898 477 Q HN 0.585 nan 8.270 nan 0.000 0.426 478 T N -1.391 113.169 114.554 0.009 0.000 2.821 478 T HA -0.132 4.218 4.350 0.000 0.000 0.267 478 T C 1.769 176.396 174.700 -0.122 0.000 1.046 478 T CA 1.050 63.177 62.100 0.045 0.000 1.139 478 T CB -0.550 68.463 68.868 0.241 0.000 0.871 478 T HN 0.256 nan 8.240 nan 0.000 0.454 479 L N 1.076 122.182 121.223 -0.195 0.000 2.079 479 L HA -0.035 4.305 4.340 0.000 0.000 0.210 479 L C 2.767 179.558 176.870 -0.132 0.000 1.081 479 L CA 1.628 56.179 54.840 -0.482 0.000 0.752 479 L CB -0.432 41.410 42.059 -0.362 0.000 0.896 479 L HN 0.155 nan 8.230 nan 0.000 0.433 480 R N -0.233 120.249 120.500 -0.029 0.000 2.062 480 R HA -0.141 4.199 4.340 0.000 0.000 0.231 480 R C 2.113 178.474 176.300 0.102 0.000 1.136 480 R CA 1.711 57.863 56.100 0.086 0.000 0.948 480 R CB -0.512 29.765 30.300 -0.038 0.000 0.845 480 R HN 0.658 nan 8.270 nan 0.000 0.430 481 E N 0.379 120.582 120.200 0.006 0.000 2.274 481 E HA -0.106 4.244 4.350 0.000 0.000 0.194 481 E C 1.530 178.108 176.600 -0.037 0.000 0.996 481 E CA 0.590 56.989 56.400 -0.003 0.000 0.840 481 E CB 0.031 29.727 29.700 -0.007 0.000 0.772 481 E HN 0.108 nan 8.360 nan 0.000 0.491 482 R N 0.530 120.974 120.500 -0.093 0.000 2.300 482 R HA 0.088 4.428 4.340 0.000 0.000 0.199 482 R C 0.158 176.339 176.300 -0.198 0.000 0.920 482 R CA 0.215 56.228 56.100 -0.146 0.000 1.046 482 R CB -0.052 30.119 30.300 -0.214 0.000 0.984 482 R HN 0.276 nan 8.270 nan 0.000 0.493 483 Q N 0.261 119.949 119.800 -0.186 0.000 2.451 483 Q HA -0.155 4.185 4.340 0.000 0.000 0.305 483 Q C 0.078 175.735 176.000 -0.572 0.000 1.345 483 Q CA 0.267 55.827 55.803 -0.404 0.000 0.854 483 Q CB -1.527 27.026 28.738 -0.309 0.000 1.162 483 Q HN 0.312 nan 8.270 nan 0.000 0.440 484 L N -0.404 120.515 121.223 -0.507 0.000 2.667 484 L HA 0.181 4.521 4.340 0.000 0.000 0.232 484 L C 0.520 177.138 176.870 -0.421 0.000 1.138 484 L CA -0.430 54.122 54.840 -0.480 0.000 0.921 484 L CB -0.147 41.560 42.059 -0.585 0.000 1.180 484 L HN 0.318 nan 8.230 nan 0.000 0.487 485 Y N -1.733 118.420 120.300 -0.246 0.000 2.307 485 Y HA 0.439 4.989 4.550 0.000 0.000 0.324 485 Y C 0.727 176.591 175.900 -0.060 0.000 1.238 485 Y CA -1.344 56.670 58.100 -0.144 0.000 1.280 485 Y CB -0.281 38.133 38.460 -0.077 0.000 1.248 485 Y HN -0.193 nan 8.280 nan 0.000 0.508 486 T N 4.900 119.561 114.554 0.177 0.000 2.902 486 T HA 0.081 4.431 4.350 0.000 0.000 0.301 486 T C 0.202 175.073 174.700 0.286 0.000 1.012 486 T CA -0.607 61.570 62.100 0.129 0.000 1.151 486 T CB 0.120 69.058 68.868 0.116 0.000 0.946 486 T HN 0.454 nan 8.240 nan 0.000 0.542 487 K N 2.834 123.330 120.400 0.161 0.000 2.117 487 K HA 0.155 4.476 4.320 0.000 0.000 0.240 487 K C 1.030 177.812 176.600 0.304 0.000 1.031 487 K CA -0.642 55.788 56.287 0.238 0.000 0.909 487 K CB 0.289 32.860 32.500 0.118 0.000 1.097 487 K HN 0.632 nan 8.250 nan 0.000 0.492 488 N N 0.560 119.450 118.700 0.317 0.000 2.320 488 N HA 0.009 4.749 4.740 0.000 0.000 0.237 488 N C -0.827 174.927 175.510 0.405 0.000 1.129 488 N CA -0.133 53.191 53.050 0.456 0.000 0.854 488 N CB 0.025 38.713 38.487 0.335 0.000 1.083 488 N HN 0.253 nan 8.380 nan 0.000 0.504 489 D N 0.455 121.028 120.400 0.289 0.000 2.264 489 D HA 0.331 4.971 4.640 0.000 0.000 0.249 489 D C 0.222 176.657 176.300 0.224 0.000 1.070 489 D CA 0.087 54.191 54.000 0.173 0.000 0.912 489 D CB 1.733 42.588 40.800 0.091 0.000 1.193 489 D HN 0.443 nan 8.370 nan 0.000 0.427 490 S N -0.028 115.732 115.700 0.101 0.000 2.656 490 S HA 0.423 4.893 4.470 0.000 0.000 0.273 490 S C -0.024 174.593 174.600 0.028 0.000 1.168 490 S CA -0.806 57.442 58.200 0.081 0.000 0.817 490 S CB 0.738 63.966 63.200 0.046 0.000 1.146 490 S HN 0.301 nan 8.310 nan 0.000 0.475 491 L N 0.796 122.045 121.223 0.043 0.000 2.640 491 L HA 0.249 4.589 4.340 0.000 0.000 0.230 491 L C 1.554 178.466 176.870 0.070 0.000 1.123 491 L CA 0.497 55.383 54.840 0.077 0.000 0.900 491 L CB -0.006 42.146 42.059 0.154 0.000 1.146 491 L HN 0.990 nan 8.230 nan 0.000 0.484 492 T N -4.665 109.893 114.554 0.006 0.000 3.044 492 T HA 0.252 4.602 4.350 0.000 0.000 0.260 492 T C 1.425 176.090 174.700 -0.059 0.000 1.019 492 T CA 0.402 62.495 62.100 -0.012 0.000 0.921 492 T CB 0.793 69.606 68.868 -0.093 0.000 1.053 492 T HN 0.270 nan 8.240 nan 0.000 0.533 493 G N 1.910 110.656 108.800 -0.090 0.000 2.160 493 G HA2 -0.255 3.705 3.960 0.000 0.000 0.251 493 G HA3 -0.255 3.705 3.960 0.000 0.000 0.251 493 G C 0.080 174.850 174.900 -0.215 0.000 1.008 493 G CA 0.192 45.218 45.100 -0.123 0.000 0.724 493 G HN 0.641 nan 8.290 nan 0.000 0.514 494 T N 0.602 114.956 114.554 -0.333 0.000 2.870 494 T HA 0.389 4.739 4.350 0.000 0.000 0.300 494 T C 0.164 174.401 174.700 -0.771 0.000 0.989 494 T CA 0.589 62.392 62.100 -0.495 0.000 1.139 494 T CB 1.457 70.015 68.868 -0.516 0.000 0.920 494 T HN 0.383 nan 8.240 nan 0.000 0.537 495 D N 1.942 122.036 120.400 -0.511 0.000 2.380 495 D HA 0.235 4.875 4.640 0.000 0.000 0.230 495 D C 0.103 176.185 176.300 -0.363 0.000 1.154 495 D CA -0.601 53.150 54.000 -0.416 0.000 0.859 495 D CB 0.151 40.826 40.800 -0.208 0.000 1.045 495 D HN 0.333 nan 8.370 nan 0.000 0.495 496 F N 2.784 122.650 119.950 -0.139 0.000 2.780 496 F HA 0.335 4.862 4.527 0.000 0.000 0.299 496 F C 1.700 177.385 175.800 -0.193 0.000 1.146 496 F CA 0.672 58.544 58.000 -0.213 0.000 1.428 496 F CB -0.407 38.425 39.000 -0.281 0.000 1.115 496 F HN 0.574 nan 8.300 nan 0.000 0.583 497 G N 0.474 109.271 108.800 -0.005 0.000 2.555 497 G HA2 0.213 4.174 3.960 0.000 0.000 0.686 497 G HA3 0.213 4.174 3.960 0.000 0.000 0.686 497 G C -1.431 173.443 174.900 -0.042 0.000 1.275 497 G CA -0.653 44.433 45.100 -0.023 0.000 0.871 497 G HN 0.074 nan 8.290 nan 0.000 0.603 498 M N 0.093 119.671 119.600 -0.036 0.000 2.578 498 M HA 0.842 5.322 4.480 0.000 0.000 0.276 498 M C 0.082 176.367 176.300 -0.025 0.000 1.245 498 M CA 0.054 55.336 55.300 -0.030 0.000 0.871 498 M CB 1.847 34.434 32.600 -0.023 0.000 1.722 498 M HN 2.013 nan 8.290 nan 0.000 0.473 499 T N -2.007 112.535 114.554 -0.020 0.000 2.838 499 T HA 0.556 4.907 4.350 0.000 0.000 0.292 499 T C -0.100 174.593 174.700 -0.013 0.000 1.113 499 T CA -0.629 61.463 62.100 -0.013 0.000 1.008 499 T CB 1.034 69.900 68.868 -0.004 0.000 1.259 499 T HN 0.568 nan 8.240 nan 0.000 0.520 500 D N 0.335 120.730 120.400 -0.008 0.000 2.263 500 D HA -0.044 4.597 4.640 0.000 0.000 0.208 500 D C 1.329 177.623 176.300 -0.010 0.000 0.971 500 D CA 0.866 54.861 54.000 -0.008 0.000 0.867 500 D CB -0.086 40.712 40.800 -0.004 0.000 0.929 500 D HN 0.540 nan 8.370 nan 0.000 0.492 501 D N 0.133 120.526 120.400 -0.011 0.000 2.183 501 D HA 0.024 4.664 4.640 0.000 0.000 0.203 501 D C 1.589 177.867 176.300 -0.036 0.000 0.969 501 D CA 1.202 55.191 54.000 -0.017 0.000 0.842 501 D CB 0.083 40.876 40.800 -0.011 0.000 0.957 501 D HN 0.243 nan 8.370 nan 0.000 0.484 502 G N 1.038 109.813 108.800 -0.042 0.000 2.601 502 G HA2 -0.246 3.714 3.960 0.000 0.000 0.252 502 G HA3 -0.246 3.714 3.960 0.000 0.000 0.252 502 G C -2.486 172.341 174.900 -0.122 0.000 1.294 502 G CA -0.616 44.446 45.100 -0.063 0.000 0.912 502 G HN 0.104 nan 8.290 nan 0.000 0.574 503 P HA 0.252 nan 4.420 nan 0.000 0.270 503 P C 1.199 178.465 177.300 -0.057 0.000 1.223 503 P CA 0.689 63.713 63.100 -0.128 0.000 0.785 503 P CB 0.672 32.257 31.700 -0.191 0.000 0.923 504 S N -0.186 115.509 115.700 -0.009 0.000 2.469 504 S HA -0.156 4.314 4.470 0.000 0.000 0.238 504 S C 0.889 175.514 174.600 0.041 0.000 0.998 504 S CA 1.282 59.488 58.200 0.010 0.000 0.957 504 S CB -0.848 62.359 63.200 0.012 0.000 0.764 504 S HN 0.617 nan 8.310 nan 0.000 0.514 505 D N 0.722 121.172 120.400 0.083 0.000 2.538 505 D HA 0.473 5.113 4.640 0.000 0.000 0.231 505 D C 0.044 176.493 176.300 0.249 0.000 1.229 505 D CA -0.300 53.788 54.000 0.147 0.000 0.828 505 D CB 0.062 40.953 40.800 0.151 0.000 1.035 505 D HN 0.410 nan 8.370 nan 0.000 0.495 506 A N 0.307 123.222 122.820 0.160 0.000 2.325 506 A HA 0.485 4.806 4.320 0.000 0.000 0.333 506 A C -1.149 176.567 177.584 0.221 0.000 1.155 506 A CA -0.864 51.286 52.037 0.188 0.000 0.814 506 A CB 0.843 19.700 19.000 -0.239 0.000 1.206 506 A HN 0.278 nan 8.150 nan 0.000 0.482 507 Y N 2.168 122.607 120.300 0.232 0.000 2.496 507 Y HA 0.447 4.997 4.550 0.000 0.000 0.334 507 Y C -0.343 175.695 175.900 0.230 0.000 1.080 507 Y CA 0.306 58.544 58.100 0.229 0.000 1.355 507 Y CB 0.192 38.792 38.460 0.234 0.000 1.193 507 Y HN 0.466 nan 8.280 nan 0.000 0.523 508 I N 7.184 127.702 120.570 -0.087 0.000 2.382 508 I HA 0.396 4.566 4.170 0.000 0.000 0.285 508 I C 0.595 176.737 176.117 0.041 0.000 1.007 508 I CA -0.425 60.918 61.300 0.071 0.000 1.142 508 I CB 1.115 39.113 38.000 -0.003 0.000 1.289 508 I HN 0.771 nan 8.210 nan 0.000 0.453 509 G N 3.673 112.736 108.800 0.437 0.000 2.613 509 G HA2 0.537 4.497 3.960 0.000 0.000 0.303 509 G HA3 0.537 4.497 3.960 0.000 0.000 0.303 509 G C -1.595 173.451 174.900 0.244 0.000 1.312 509 G CA -0.224 45.098 45.100 0.371 0.000 1.036 509 G HN 0.600 nan 8.290 nan 0.000 0.513 510 H N -2.026 117.057 119.070 0.023 0.000 2.961 510 H HA 0.659 5.215 4.556 0.000 0.000 0.371 510 H C -1.371 173.872 175.328 -0.142 0.000 1.190 510 H CA -0.551 55.459 56.048 -0.064 0.000 1.138 510 H CB 1.890 31.609 29.762 -0.072 0.000 1.816 510 H HN 0.322 nan 8.280 nan 0.000 0.551 511 L N 3.031 123.934 121.223 -0.534 0.000 2.406 511 L HA 0.326 4.666 4.340 0.000 0.000 0.272 511 L C -1.145 175.548 176.870 -0.295 0.000 0.980 511 L CA -0.481 54.089 54.840 -0.451 0.000 0.831 511 L CB 1.929 43.527 42.059 -0.768 0.000 1.253 511 L HN 0.606 nan 8.230 nan 0.000 0.406 512 D N 0.878 121.199 120.400 -0.131 0.000 2.471 512 D HA 0.325 4.965 4.640 0.000 0.000 0.245 512 D C -0.102 176.194 176.300 -0.006 0.000 1.116 512 D CA -0.157 53.865 54.000 0.035 0.000 0.853 512 D CB 1.070 41.951 40.800 0.136 0.000 1.123 512 D HN 0.310 nan 8.370 nan 0.000 0.540 513 Y N 1.905 122.263 120.300 0.095 0.000 2.197 513 Y HA 0.309 4.859 4.550 0.000 0.000 0.281 513 Y C 1.896 177.926 175.900 0.217 0.000 1.099 513 Y CA 1.315 59.520 58.100 0.175 0.000 1.092 513 Y CB 0.153 38.757 38.460 0.241 0.000 1.028 513 Y HN 0.501 nan 8.280 nan 0.000 0.489 514 G N -1.559 107.485 108.800 0.407 0.000 2.825 514 G HA2 0.364 4.324 3.960 0.000 0.000 0.191 514 G HA3 0.364 4.324 3.960 0.000 0.000 0.191 514 G C 0.676 175.701 174.900 0.208 0.000 1.708 514 G CA 0.138 45.456 45.100 0.363 0.000 0.813 514 G HN 0.517 nan 8.290 nan 0.000 0.799 515 G N -0.295 108.587 108.800 0.136 0.000 2.466 515 G HA2 0.372 4.332 3.960 0.000 0.000 0.279 515 G HA3 0.372 4.332 3.960 0.000 0.000 0.279 515 G C 1.179 176.134 174.900 0.091 0.000 1.410 515 G CA 0.500 45.644 45.100 0.073 0.000 1.065 515 G HN 1.140 nan 8.290 nan 0.000 0.547 516 G N -1.292 107.545 108.800 0.061 0.000 3.302 516 G HA2 0.233 4.194 3.960 0.000 0.000 0.220 516 G HA3 0.233 4.194 3.960 0.000 0.000 0.220 516 G C 0.174 175.119 174.900 0.075 0.000 1.297 516 G CA 0.162 45.303 45.100 0.070 0.000 1.213 516 G HN 0.606 nan 8.290 nan 0.000 0.508 517 V N 1.212 121.184 119.914 0.097 0.000 2.284 517 V HA 0.480 4.600 4.120 0.000 0.000 0.260 517 V C -0.123 176.067 176.094 0.160 0.000 1.084 517 V CA -0.647 61.710 62.300 0.095 0.000 0.894 517 V CB 0.039 31.899 31.823 0.062 0.000 1.119 517 V HN 0.624 nan 8.190 nan 0.000 0.484 518 E N 5.979 126.240 120.200 0.102 0.000 2.446 518 E HA 0.824 5.174 4.350 0.000 0.000 0.276 518 E C -1.237 175.315 176.600 -0.079 0.000 0.969 518 E CA -0.901 55.523 56.400 0.039 0.000 0.800 518 E CB 2.213 31.997 29.700 0.141 0.000 1.341 518 E HN 0.688 nan 8.360 nan 0.000 0.460 519 C N -0.533 118.546 119.300 -0.369 0.000 3.302 519 C HA 0.517 4.978 4.460 0.000 0.000 0.347 519 C C -1.210 173.477 174.990 -0.506 0.000 1.218 519 C CA -1.062 57.790 59.018 -0.278 0.000 1.234 519 C CB 0.814 28.506 27.740 -0.079 0.000 1.551 519 C HN 0.775 nan 8.230 nan 0.000 0.501 520 D N 1.127 121.456 120.400 -0.117 0.000 2.362 520 D HA 0.612 5.252 4.640 0.000 0.000 0.242 520 D C 0.190 176.461 176.300 -0.048 0.000 1.132 520 D CA 0.770 54.774 54.000 0.007 0.000 0.907 520 D CB 1.483 42.332 40.800 0.082 0.000 1.195 520 D HN 1.183 nan 8.370 nan 0.000 0.429 521 A N 1.381 124.169 122.820 -0.053 0.000 2.486 521 A HA 0.599 4.920 4.320 0.000 0.000 0.300 521 A C -0.725 176.698 177.584 -0.268 0.000 1.048 521 A CA -0.716 51.211 52.037 -0.183 0.000 0.696 521 A CB 0.945 19.734 19.000 -0.352 0.000 1.278 521 A HN 0.460 nan 8.150 nan 0.000 0.405 522 L N 0.406 121.465 121.223 -0.273 0.000 2.431 522 L HA 0.720 5.060 4.340 0.000 0.000 0.260 522 L C -0.870 175.698 176.870 -0.503 0.000 1.098 522 L CA -0.475 54.265 54.840 -0.165 0.000 0.800 522 L CB 0.833 42.845 42.059 -0.078 0.000 1.210 522 L HN 0.701 nan 8.230 nan 0.000 0.465 523 F N -0.755 119.274 119.950 0.132 0.000 2.601 523 F HA 0.444 4.972 4.527 0.000 0.000 0.309 523 F C -2.413 173.351 175.800 -0.061 0.000 1.089 523 F CA -2.288 55.760 58.000 0.078 0.000 0.940 523 F CB 1.526 40.565 39.000 0.066 0.000 1.273 523 F HN 0.133 nan 8.300 nan 0.000 0.450 524 P HA 0.080 nan 4.420 nan 0.000 0.276 524 P C -0.843 176.061 177.300 -0.660 0.000 1.230 524 P CA -0.164 62.553 63.100 -0.639 0.000 0.776 524 P CB 0.681 31.546 31.700 -1.391 0.000 0.888 525 D N 2.407 122.551 120.400 -0.427 0.000 2.517 525 D HA 0.064 4.705 4.640 0.000 0.000 0.220 525 D C 0.403 176.568 176.300 -0.225 0.000 1.158 525 D CA -0.246 53.601 54.000 -0.255 0.000 0.992 525 D CB -0.360 40.330 40.800 -0.184 0.000 1.058 525 D HN 0.308 nan 8.370 nan 0.000 0.516 526 W N 1.909 123.178 121.300 -0.052 0.000 2.359 526 W HA -0.065 4.595 4.660 0.000 0.000 0.275 526 W C 2.342 178.819 176.519 -0.069 0.000 1.217 526 W CA 0.550 57.838 57.345 -0.095 0.000 1.196 526 W CB -0.026 29.321 29.460 -0.189 0.000 1.129 526 W HN 0.451 nan 8.180 nan 0.000 0.566 527 G N 0.367 109.242 108.800 0.125 0.000 2.484 527 G HA2 -0.094 3.866 3.960 0.000 0.000 0.218 527 G HA3 -0.094 3.866 3.960 0.000 0.000 0.218 527 G C 0.729 175.657 174.900 0.046 0.000 1.130 527 G CA -0.329 44.814 45.100 0.072 0.000 0.784 527 G HN 0.100 nan 8.290 nan 0.000 0.543 528 R N 0.747 121.254 120.500 0.011 0.000 2.543 528 R HA 0.183 4.523 4.340 0.000 0.000 0.277 528 R C -1.415 174.902 176.300 0.029 0.000 1.074 528 R CA -1.138 54.959 56.100 -0.006 0.000 1.076 528 R CB 0.767 31.029 30.300 -0.062 0.000 0.993 528 R HN 0.063 nan 8.270 nan 0.000 0.459 529 P HA -0.092 nan 4.420 nan 0.000 0.241 529 P C -0.233 177.101 177.300 0.057 0.000 1.191 529 P CA 0.925 64.056 63.100 0.051 0.000 0.771 529 P CB 0.265 31.991 31.700 0.044 0.000 0.929 530 D N -1.145 119.277 120.400 0.037 0.000 2.360 530 D HA -0.025 4.615 4.640 0.000 0.000 0.210 530 D C 1.658 178.011 176.300 0.088 0.000 1.047 530 D CA 0.011 54.040 54.000 0.048 0.000 0.854 530 D CB -1.037 39.768 40.800 0.008 0.000 0.936 530 D HN -0.020 nan 8.370 nan 0.000 0.514 531 V N 1.055 121.017 119.914 0.079 0.000 2.379 531 V HA -0.128 3.992 4.120 0.000 0.000 0.245 531 V C 2.697 179.001 176.094 0.351 0.000 1.044 531 V CA 1.671 64.048 62.300 0.128 0.000 1.036 531 V CB -0.713 31.089 31.823 -0.035 0.000 0.664 531 V HN 0.362 nan 8.190 nan 0.000 0.453 532 A N -0.207 122.799 122.820 0.310 0.000 1.883 532 A HA -0.300 4.020 4.320 0.000 0.000 0.217 532 A C 2.274 180.056 177.584 0.329 0.000 1.186 532 A CA 2.171 54.425 52.037 0.362 0.000 0.624 532 A CB -0.558 18.578 19.000 0.227 0.000 0.822 532 A HN 0.623 nan 8.150 nan 0.000 0.444 533 E N -1.516 118.825 120.200 0.236 0.000 2.077 533 E HA -0.259 4.091 4.350 0.000 0.000 0.193 533 E C 1.824 178.537 176.600 0.189 0.000 0.989 533 E CA 1.511 58.014 56.400 0.172 0.000 0.800 533 E CB -0.323 29.455 29.700 0.130 0.000 0.746 533 E HN 0.784 nan 8.360 nan 0.000 0.452 534 W N 0.994 122.345 121.300 0.085 0.000 2.355 534 W HA -0.205 4.455 4.660 0.000 0.000 0.309 534 W C 2.085 178.660 176.519 0.093 0.000 1.206 534 W CA 1.759 59.136 57.345 0.054 0.000 1.284 534 W CB -0.732 28.750 29.460 0.038 0.000 1.145 534 W HN 0.291 nan 8.180 nan 0.000 0.502 535 W N 1.429 122.716 121.300 -0.021 0.000 2.335 535 W HA -0.157 4.503 4.660 0.000 0.000 0.311 535 W C 2.077 178.477 176.519 -0.199 0.000 1.213 535 W CA 2.098 59.291 57.345 -0.253 0.000 1.274 535 W CB -0.956 28.706 29.460 0.337 0.000 1.148 535 W HN 0.063 nan 8.180 nan 0.000 0.498 536 G N 0.599 109.407 108.800 0.014 0.000 2.422 536 G HA2 -0.333 3.627 3.960 0.000 0.000 0.218 536 G HA3 -0.333 3.627 3.960 0.000 0.000 0.218 536 G C 1.395 176.187 174.900 -0.180 0.000 1.146 536 G CA 1.033 46.095 45.100 -0.062 0.000 0.769 536 G HN 0.337 nan 8.290 nan 0.000 0.547 537 N N 0.810 119.351 118.700 -0.264 0.000 2.381 537 N HA -0.099 4.642 4.740 0.000 0.000 0.182 537 N C 1.708 176.905 175.510 -0.522 0.000 1.025 537 N CA 0.524 53.392 53.050 -0.304 0.000 0.888 537 N CB -0.081 38.266 38.487 -0.232 0.000 0.965 537 N HN 0.206 nan 8.380 nan 0.000 0.438 538 N N 0.626 118.773 118.700 -0.921 0.000 2.223 538 N HA -0.141 4.599 4.740 0.000 0.000 0.185 538 N C 1.246 175.945 175.510 -1.352 0.000 1.016 538 N CA 0.861 53.057 53.050 -1.422 0.000 0.863 538 N CB -0.464 36.522 38.487 -2.502 0.000 0.983 538 N HN 0.413 nan 8.380 nan 0.000 0.429 539 Y N 1.596 121.265 120.300 -1.051 0.000 2.333 539 Y HA -0.072 4.478 4.550 0.000 0.000 0.290 539 Y C 2.183 177.650 175.900 -0.721 0.000 1.144 539 Y CA 0.916 58.502 58.100 -0.857 0.000 1.228 539 Y CB -0.030 37.950 38.460 -0.802 0.000 0.985 539 Y HN 0.013 nan 8.280 nan 0.000 0.542 540 K N 0.477 120.696 120.400 -0.302 0.000 2.113 540 K HA -0.237 4.084 4.320 0.000 0.000 0.208 540 K C 1.757 178.277 176.600 -0.132 0.000 1.047 540 K CA 1.762 57.975 56.287 -0.124 0.000 0.928 540 K CB -0.201 32.240 32.500 -0.098 0.000 0.716 540 K HN 0.368 nan 8.250 nan 0.000 0.446 541 K N 0.431 120.693 120.400 -0.230 0.000 2.280 541 K HA -0.098 4.222 4.320 0.000 0.000 0.202 541 K C 1.889 178.453 176.600 -0.060 0.000 1.047 541 K CA 0.953 57.164 56.287 -0.128 0.000 0.942 541 K CB 0.035 32.441 32.500 -0.157 0.000 0.739 541 K HN 0.134 nan 8.250 nan 0.000 0.457 542 L N -1.177 119.945 121.223 -0.168 0.000 2.362 542 L HA 0.073 4.414 4.340 0.000 0.000 0.204 542 L C 1.720 178.563 176.870 -0.046 0.000 1.060 542 L CA 0.075 54.831 54.840 -0.140 0.000 0.827 542 L CB -0.095 41.780 42.059 -0.307 0.000 1.027 542 L HN -0.009 nan 8.230 nan 0.000 0.474 543 F N 0.831 120.765 119.950 -0.027 0.000 2.216 543 F HA -0.176 4.351 4.527 0.000 0.000 0.300 543 F C 2.877 178.695 175.800 0.029 0.000 1.085 543 F CA 1.204 59.199 58.000 -0.009 0.000 1.326 543 F CB -1.222 37.786 39.000 0.013 0.000 1.027 543 F HN 0.143 nan 8.300 nan 0.000 0.497 544 S N 0.373 116.193 115.700 0.201 0.000 2.522 544 S HA -0.036 4.434 4.470 0.000 0.000 0.227 544 S C 1.436 176.139 174.600 0.172 0.000 0.986 544 S CA 0.621 58.917 58.200 0.160 0.000 0.929 544 S CB -1.127 62.142 63.200 0.115 0.000 0.769 544 S HN 0.574 nan 8.310 nan 0.000 0.529 545 I N -3.028 117.652 120.570 0.184 0.000 3.914 545 I HA 0.668 4.839 4.170 0.000 0.000 0.333 545 I C 1.114 177.340 176.117 0.182 0.000 1.449 545 I CA -0.016 61.401 61.300 0.195 0.000 1.135 545 I CB -0.052 38.095 38.000 0.245 0.000 1.073 545 I HN 0.273 nan 8.210 nan 0.000 0.401 546 G N 1.672 110.576 108.800 0.173 0.000 2.179 546 G HA2 -0.232 3.729 3.960 0.000 0.000 0.220 546 G HA3 -0.232 3.729 3.960 0.000 0.000 0.220 546 G C -0.146 174.759 174.900 0.009 0.000 0.990 546 G CA -0.018 45.169 45.100 0.146 0.000 0.646 546 G HN 0.391 nan 8.290 nan 0.000 0.517 547 L N 1.525 122.652 121.223 -0.160 0.000 2.499 547 L HA 0.443 4.783 4.340 0.000 0.000 0.273 547 L C 1.063 177.952 176.870 0.033 0.000 1.195 547 L CA 0.810 55.356 54.840 -0.490 0.000 0.882 547 L CB 0.479 42.146 42.059 -0.652 0.000 1.133 547 L HN 0.206 nan 8.230 nan 0.000 0.483 548 D N 4.616 125.044 120.400 0.047 0.000 2.269 548 D HA 0.087 4.727 4.640 0.000 0.000 0.220 548 D C 0.151 176.698 176.300 0.413 0.000 0.962 548 D CA 1.449 55.599 54.000 0.251 0.000 0.884 548 D CB 0.231 41.171 40.800 0.234 0.000 1.023 548 D HN 0.514 nan 8.370 nan 0.000 0.484 549 F N -0.251 119.747 119.950 0.080 0.000 2.950 549 F HA 0.565 5.092 4.527 0.000 0.000 0.327 549 F C -1.208 174.637 175.800 0.075 0.000 1.197 549 F CA -1.381 56.703 58.000 0.140 0.000 0.954 549 F CB 1.371 40.482 39.000 0.185 0.000 1.442 549 F HN -0.220 nan 8.300 nan 0.000 0.509 550 V N -1.329 118.555 119.914 -0.049 0.000 3.040 550 V HA 0.765 4.885 4.120 0.000 0.000 0.312 550 V C -1.870 174.135 176.094 -0.149 0.000 1.115 550 V CA -0.907 61.290 62.300 -0.172 0.000 0.998 550 V CB 1.576 33.419 31.823 0.034 0.000 1.042 550 V HN 1.225 nan 8.190 nan 0.000 0.433 551 W N 2.107 123.229 121.300 -0.297 0.000 2.702 551 W HA 0.798 5.459 4.660 0.000 0.000 0.331 551 W C -0.939 175.536 176.519 -0.072 0.000 1.049 551 W CA -0.904 56.300 57.345 -0.235 0.000 1.230 551 W CB 1.661 30.858 29.460 -0.437 0.000 1.408 551 W HN 0.591 nan 8.180 nan 0.000 0.492 552 Q N 4.162 124.128 119.800 0.276 0.000 2.331 552 Q HA 0.227 4.567 4.340 0.000 0.000 0.257 552 Q C -1.016 175.226 176.000 0.403 0.000 0.957 552 Q CA -0.193 55.744 55.803 0.223 0.000 0.923 552 Q CB 1.802 30.632 28.738 0.153 0.000 1.212 552 Q HN 0.597 nan 8.270 nan 0.000 0.443 553 D N 2.148 122.756 120.400 0.348 0.000 2.392 553 D HA 0.355 4.995 4.640 0.000 0.000 0.246 553 D C 0.423 176.886 176.300 0.273 0.000 1.013 553 D CA -0.508 53.756 54.000 0.440 0.000 0.993 553 D CB 0.863 41.977 40.800 0.523 0.000 1.219 553 D HN 0.271 nan 8.370 nan 0.000 0.538 554 M N 0.414 120.158 119.600 0.239 0.000 2.393 554 M HA -0.175 4.305 4.480 0.000 0.000 0.201 554 M C 0.875 177.279 176.300 0.173 0.000 0.403 554 M CA 0.826 56.246 55.300 0.201 0.000 0.471 554 M CB -3.163 29.618 32.600 0.302 0.000 1.669 554 M HN 0.525 nan 8.290 nan 0.000 0.864 555 T N -4.593 110.046 114.554 0.142 0.000 3.148 555 T HA 0.235 4.585 4.350 0.000 0.000 0.253 555 T C 1.662 176.438 174.700 0.125 0.000 1.134 555 T CA 0.501 62.695 62.100 0.156 0.000 1.051 555 T CB -0.023 68.914 68.868 0.115 0.000 0.959 555 T HN 0.321 nan 8.240 nan 0.000 0.525 556 V N 1.824 121.726 119.914 -0.020 0.000 2.282 556 V HA -0.028 4.092 4.120 0.000 0.000 0.249 556 V C -1.297 174.536 176.094 -0.435 0.000 1.057 556 V CA 1.026 63.223 62.300 -0.172 0.000 1.032 556 V CB -1.791 29.872 31.823 -0.267 0.000 0.645 556 V HN 0.498 nan 8.190 nan 0.000 0.447 557 P HA 0.292 nan 4.420 nan 0.000 0.276 557 P C -0.580 176.517 177.300 -0.339 0.000 1.235 557 P CA 0.154 63.046 63.100 -0.347 0.000 0.772 557 P CB 1.025 32.488 31.700 -0.395 0.000 0.871 558 A N 5.243 127.974 122.820 -0.148 0.000 2.440 558 A HA 0.529 4.849 4.320 0.000 0.000 0.251 558 A C 0.254 177.716 177.584 -0.202 0.000 1.089 558 A CA 0.045 51.970 52.037 -0.187 0.000 0.779 558 A CB -0.291 18.655 19.000 -0.090 0.000 1.022 558 A HN 0.555 nan 8.150 nan 0.000 0.492 559 M N 2.414 121.855 119.600 -0.265 0.000 2.550 559 M HA 0.344 4.824 4.480 0.000 0.000 0.292 559 M C -0.183 176.011 176.300 -0.176 0.000 1.221 559 M CA -0.434 54.732 55.300 -0.223 0.000 0.873 559 M CB 2.163 34.592 32.600 -0.284 0.000 1.727 559 M HN 0.850 nan 8.290 nan 0.000 0.459 560 M N 4.551 124.088 119.600 -0.105 0.000 2.248 560 M HA 0.120 4.601 4.480 0.000 0.000 0.343 560 M C -2.044 174.253 176.300 -0.005 0.000 1.243 560 M CA -0.692 54.592 55.300 -0.026 0.000 1.025 560 M CB 0.508 33.151 32.600 0.072 0.000 1.759 560 M HN 0.224 nan 8.290 nan 0.000 0.452 561 P HA 0.017 nan 4.420 nan 0.000 0.265 561 P C -1.553 175.876 177.300 0.216 0.000 1.187 561 P CA 0.603 63.764 63.100 0.101 0.000 0.766 561 P CB 0.291 32.162 31.700 0.286 0.000 0.820 562 H N -0.004 119.112 119.070 0.078 0.000 3.085 562 H HA 0.402 4.959 4.556 0.000 0.000 0.356 562 H C -1.309 174.222 175.328 0.338 0.000 1.178 562 H CA -0.787 55.356 56.048 0.159 0.000 1.214 562 H CB 1.569 31.393 29.762 0.105 0.000 1.881 562 H HN 0.201 nan 8.280 nan 0.000 0.538 563 K N 5.665 125.859 120.400 -0.343 0.000 2.206 563 K HA 0.304 4.624 4.320 0.000 0.000 0.264 563 K C -0.213 176.134 176.600 -0.423 0.000 0.967 563 K CA -0.802 55.398 56.287 -0.146 0.000 0.844 563 K CB 0.779 33.102 32.500 -0.294 0.000 1.099 563 K HN 0.553 nan 8.250 nan 0.000 0.441 564 I N 3.183 123.700 120.570 -0.088 0.000 2.919 564 I HA -0.150 4.020 4.170 0.000 0.000 0.303 564 I C 1.583 177.627 176.117 -0.122 0.000 1.221 564 I CA 1.931 63.157 61.300 -0.123 0.000 1.444 564 I CB -0.336 37.601 38.000 -0.105 0.000 1.331 564 I HN 1.131 nan 8.210 nan 0.000 0.572 565 G N 5.092 113.849 108.800 -0.072 0.000 2.317 565 G HA2 -0.207 3.753 3.960 0.000 0.000 0.227 565 G HA3 -0.207 3.753 3.960 0.000 0.000 0.227 565 G C 0.170 175.038 174.900 -0.053 0.000 1.042 565 G CA -0.060 45.000 45.100 -0.067 0.000 0.623 565 G HN 0.547 nan 8.290 nan 0.000 0.509 566 D N 2.014 122.359 120.400 -0.091 0.000 2.344 566 D HA 0.466 5.106 4.640 0.000 0.000 0.244 566 D C 0.347 176.741 176.300 0.155 0.000 1.134 566 D CA -0.335 53.647 54.000 -0.029 0.000 0.930 566 D CB 0.442 41.163 40.800 -0.131 0.000 1.175 566 D HN 0.193 nan 8.370 nan 0.000 0.437 567 D N 0.454 120.910 120.400 0.093 0.000 2.423 567 D HA -0.039 4.601 4.640 0.000 0.000 0.238 567 D C 1.426 177.787 176.300 0.102 0.000 1.142 567 D CA -0.130 53.910 54.000 0.067 0.000 0.884 567 D CB 0.691 41.490 40.800 -0.001 0.000 1.199 567 D HN 0.357 nan 8.370 nan 0.000 0.438 568 I N 1.979 122.521 120.570 -0.047 0.000 2.248 568 I HA -0.353 3.817 4.170 0.000 0.000 0.248 568 I C 1.439 177.357 176.117 -0.332 0.000 1.107 568 I CA 1.582 62.739 61.300 -0.238 0.000 1.373 568 I CB 0.042 37.948 38.000 -0.157 0.000 1.055 568 I HN 0.338 nan 8.210 nan 0.000 0.418 569 N N 0.149 118.620 118.700 -0.383 0.000 2.398 569 N HA 0.019 4.759 4.740 0.000 0.000 0.188 569 N C -0.082 175.250 175.510 -0.297 0.000 1.122 569 N CA 0.149 52.762 53.050 -0.728 0.000 0.866 569 N CB -0.382 37.761 38.487 -0.575 0.000 0.970 569 N HN 0.218 nan 8.380 nan 0.000 0.462 570 V N 1.474 121.338 119.914 -0.082 0.000 2.427 570 V HA 0.264 4.384 4.120 0.000 0.000 0.286 570 V C 0.273 176.431 176.094 0.106 0.000 1.034 570 V CA -0.957 61.350 62.300 0.012 0.000 0.893 570 V CB 1.292 33.123 31.823 0.013 0.000 0.982 570 V HN 0.360 nan 8.190 nan 0.000 0.452 571 K N 5.390 125.838 120.400 0.079 0.000 2.185 571 K HA 0.799 5.119 4.320 0.000 0.000 0.240 571 K C -2.862 173.778 176.600 0.066 0.000 0.983 571 K CA -1.896 54.462 56.287 0.117 0.000 0.873 571 K CB 1.341 33.921 32.500 0.133 0.000 1.118 571 K HN 0.333 nan 8.250 nan 0.000 0.441 572 P HA 0.034 nan 4.420 nan 0.000 0.276 572 P C -0.916 176.434 177.300 0.084 0.000 1.252 572 P CA -0.420 62.697 63.100 0.028 0.000 0.802 572 P CB 0.397 32.167 31.700 0.118 0.000 1.035 573 D N 0.210 120.641 120.400 0.051 0.000 2.571 573 D HA -0.068 4.573 4.640 0.000 0.000 0.231 573 D C 1.590 177.999 176.300 0.181 0.000 1.133 573 D CA 0.760 54.822 54.000 0.103 0.000 0.862 573 D CB 0.746 41.601 40.800 0.092 0.000 1.179 573 D HN 0.515 nan 8.370 nan 0.000 0.474 574 G N 3.962 112.866 108.800 0.174 0.000 2.499 574 G HA2 -0.283 3.677 3.960 0.000 0.000 0.221 574 G HA3 -0.283 3.677 3.960 0.000 0.000 0.221 574 G C 1.320 176.425 174.900 0.342 0.000 1.109 574 G CA 0.212 45.449 45.100 0.228 0.000 0.749 574 G HN 0.520 nan 8.290 nan 0.000 0.568 575 N N -1.060 117.831 118.700 0.319 0.000 2.467 575 N HA 0.030 4.770 4.740 0.000 0.000 0.184 575 N C -0.184 175.445 175.510 0.199 0.000 1.106 575 N CA 0.004 53.272 53.050 0.363 0.000 0.892 575 N CB 0.112 38.788 38.487 0.315 0.000 0.969 575 N HN 0.541 nan 8.380 nan 0.000 0.454 576 W N 3.033 124.313 121.300 -0.033 0.000 2.520 576 W HA 0.401 5.062 4.660 0.000 0.000 0.323 576 W C -2.289 173.972 176.519 -0.430 0.000 1.062 576 W CA -1.783 55.460 57.345 -0.171 0.000 1.215 576 W CB 1.256 30.634 29.460 -0.137 0.000 1.340 576 W HN -0.125 nan 8.180 nan 0.000 0.516 577 P HA 0.315 nan 4.420 nan 0.000 0.278 577 P C -1.452 175.424 177.300 -0.705 0.000 1.266 577 P CA -0.243 61.858 63.100 -1.666 0.000 0.807 577 P CB 1.692 32.359 31.700 -1.722 0.000 1.094 578 N N -2.329 116.066 118.700 -0.508 0.000 3.039 578 N HA 0.465 5.205 4.740 0.000 0.000 0.257 578 N C 0.626 175.984 175.510 -0.253 0.000 1.497 578 N CA -0.738 52.128 53.050 -0.306 0.000 0.861 578 N CB -0.145 38.222 38.487 -0.200 0.000 1.479 578 N HN 0.167 nan 8.380 nan 0.000 0.547 579 A N -0.420 122.214 122.820 -0.311 0.000 1.908 579 A HA -0.172 4.148 4.320 0.000 0.000 0.218 579 A C 1.100 178.595 177.584 -0.148 0.000 1.181 579 A CA 1.987 53.820 52.037 -0.340 0.000 0.627 579 A CB -0.930 17.578 19.000 -0.820 0.000 0.818 579 A HN 0.735 nan 8.150 nan 0.000 0.445 580 D N -0.786 119.574 120.400 -0.067 0.000 2.317 580 D HA 0.018 4.658 4.640 0.000 0.000 0.211 580 D C -0.087 176.247 176.300 0.056 0.000 0.966 580 D CA 0.922 54.954 54.000 0.053 0.000 0.876 580 D CB 0.114 40.975 40.800 0.101 0.000 0.927 580 D HN 0.379 nan 8.370 nan 0.000 0.519 581 D N -0.040 120.375 120.400 0.026 0.000 2.517 581 D HA 0.196 4.836 4.640 0.000 0.000 0.263 581 D C -2.763 173.515 176.300 -0.036 0.000 1.233 581 D CA -1.937 52.125 54.000 0.103 0.000 0.849 581 D CB 1.385 42.334 40.800 0.249 0.000 1.261 581 D HN -0.107 nan 8.370 nan 0.000 0.516 582 P HA 0.112 nan 4.420 nan 0.000 0.274 582 P C 1.032 178.262 177.300 -0.117 0.000 1.256 582 P CA -0.329 62.704 63.100 -0.112 0.000 0.795 582 P CB 0.989 32.695 31.700 0.011 0.000 1.038 583 S N 0.937 116.537 115.700 -0.168 0.000 2.368 583 S HA -0.190 4.280 4.470 0.000 0.000 0.225 583 S C 0.631 175.379 174.600 0.245 0.000 1.030 583 S CA 1.391 59.551 58.200 -0.067 0.000 0.999 583 S CB -1.347 61.924 63.200 0.118 0.000 0.844 583 S HN 0.507 nan 8.310 nan 0.000 0.459 584 N N 0.854 119.692 118.700 0.231 0.000 2.716 584 N HA -0.180 4.560 4.740 0.000 0.000 0.250 584 N C 0.595 176.263 175.510 0.263 0.000 1.033 584 N CA 1.314 54.504 53.050 0.233 0.000 0.727 584 N CB -1.936 36.669 38.487 0.197 0.000 0.950 584 N HN 0.884 nan 8.380 nan 0.000 0.541 585 G N -1.447 107.550 108.800 0.329 0.000 2.143 585 G HA2 -0.365 3.595 3.960 0.000 0.000 0.248 585 G HA3 -0.365 3.595 3.960 0.000 0.000 0.248 585 G C 0.622 175.708 174.900 0.309 0.000 0.991 585 G CA 0.730 46.027 45.100 0.328 0.000 0.689 585 G HN 0.576 nan 8.290 nan 0.000 0.522 586 Q N -1.829 118.193 119.800 0.369 0.000 2.350 586 Q HA 0.295 4.635 4.340 0.000 0.000 0.225 586 Q C 0.476 176.802 176.000 0.544 0.000 0.878 586 Q CA -0.171 55.859 55.803 0.378 0.000 0.935 586 Q CB 0.876 29.828 28.738 0.355 0.000 1.099 586 Q HN 0.517 nan 8.270 nan 0.000 0.527 587 Y N 2.686 123.170 120.300 0.307 0.000 2.308 587 Y HA 0.110 4.661 4.550 0.000 0.000 0.329 587 Y C 0.805 176.700 175.900 -0.009 0.000 1.111 587 Y CA -1.322 56.808 58.100 0.051 0.000 1.179 587 Y CB 0.737 38.848 38.460 -0.582 0.000 1.201 587 Y HN 0.092 nan 8.280 nan 0.000 0.483 588 N N 2.793 121.120 118.700 -0.621 0.000 2.461 588 N HA -0.121 4.620 4.740 0.000 0.000 0.188 588 N C -0.188 175.030 175.510 -0.487 0.000 1.134 588 N CA 0.256 52.923 53.050 -0.639 0.000 0.878 588 N CB -0.625 37.257 38.487 -1.009 0.000 0.972 588 N HN 0.819 nan 8.380 nan 0.000 0.456 589 W N 1.348 122.122 121.300 -0.877 0.000 5.770 589 W HA -0.269 4.391 4.660 0.000 0.000 0.389 589 W C -0.137 176.104 176.519 -0.463 0.000 1.469 589 W CA 0.635 57.771 57.345 -0.349 0.000 0.975 589 W CB -2.499 27.100 29.460 0.231 0.000 2.622 589 W HN 0.155 nan 8.180 nan 0.000 1.500 590 K N -1.585 118.524 120.400 -0.485 0.000 3.077 590 K HA -0.234 4.087 4.320 0.000 0.000 0.264 590 K C 0.338 176.668 176.600 -0.450 0.000 1.008 590 K CA 1.272 57.305 56.287 -0.423 0.000 0.740 590 K CB -1.329 30.921 32.500 -0.417 0.000 1.273 590 K HN 0.434 nan 8.250 nan 0.000 0.477 591 T N -2.154 112.144 114.554 -0.426 0.000 2.663 591 T HA 0.275 4.625 4.350 0.000 0.000 0.302 591 T C -1.368 173.040 174.700 -0.485 0.000 1.523 591 T CA -0.840 60.974 62.100 -0.477 0.000 1.011 591 T CB 0.301 68.910 68.868 -0.432 0.000 1.841 591 T HN 0.103 nan 8.240 nan 0.000 0.462 592 Y N 2.841 122.796 120.300 -0.574 0.000 2.811 592 Y HA 0.130 4.680 4.550 0.000 0.000 0.334 592 Y C 1.490 177.182 175.900 -0.346 0.000 1.247 592 Y CA 0.502 58.215 58.100 -0.645 0.000 1.526 592 Y CB -0.016 38.014 38.460 -0.718 0.000 1.284 592 Y HN 0.394 nan 8.280 nan 0.000 0.586 593 H N 6.469 125.559 119.070 0.032 0.000 3.070 593 H HA -0.033 4.524 4.556 0.000 0.000 0.313 593 H C -1.417 173.930 175.328 0.032 0.000 0.997 593 H CA -0.854 55.258 56.048 0.107 0.000 1.438 593 H CB 0.778 30.694 29.762 0.256 0.000 1.455 593 H HN 0.500 nan 8.280 nan 0.000 0.575 594 P HA -0.080 nan 4.420 nan 0.000 0.234 594 P C 0.713 178.127 177.300 0.190 0.000 1.167 594 P CA 0.759 63.987 63.100 0.214 0.000 0.763 594 P CB 0.433 32.362 31.700 0.382 0.000 0.835 595 Q N -0.471 119.370 119.800 0.069 0.000 2.378 595 Q HA 0.029 4.369 4.340 0.000 0.000 0.205 595 Q C 0.970 177.032 176.000 0.102 0.000 0.954 595 Q CA 0.138 55.858 55.803 -0.138 0.000 0.901 595 Q CB -0.769 27.827 28.738 -0.237 0.000 0.981 595 Q HN 0.099 nan 8.270 nan 0.000 0.483 596 V N 1.463 121.389 119.914 0.019 0.000 2.599 596 V HA -0.032 4.089 4.120 0.000 0.000 0.300 596 V C -0.199 175.809 176.094 -0.143 0.000 1.034 596 V CA 0.028 62.267 62.300 -0.100 0.000 1.115 596 V CB 0.176 31.662 31.823 -0.562 0.000 0.934 596 V HN 0.250 nan 8.190 nan 0.000 0.485 597 L N 8.068 129.262 121.223 -0.048 0.000 2.385 597 L HA 0.339 4.680 4.340 0.000 0.000 0.281 597 L C 0.005 176.780 176.870 -0.159 0.000 1.106 597 L CA -0.088 54.694 54.840 -0.097 0.000 0.856 597 L CB 0.996 43.035 42.059 -0.033 0.000 1.186 597 L HN 0.681 nan 8.230 nan 0.000 0.453 598 V N -0.047 119.743 119.914 -0.206 0.000 2.732 598 V HA 0.511 4.631 4.120 0.000 0.000 0.310 598 V C 0.407 176.431 176.094 -0.116 0.000 1.053 598 V CA -0.700 61.475 62.300 -0.208 0.000 0.957 598 V CB 1.554 33.207 31.823 -0.282 0.000 1.018 598 V HN 0.607 nan 8.190 nan 0.000 0.452 599 T N 2.878 117.381 114.554 -0.085 0.000 2.853 599 T HA 0.071 4.421 4.350 0.000 0.000 0.298 599 T C 0.013 174.706 174.700 -0.013 0.000 0.978 599 T CA 0.388 62.462 62.100 -0.043 0.000 1.152 599 T CB -0.014 68.831 68.868 -0.038 0.000 0.914 599 T HN 0.953 nan 8.240 nan 0.000 0.539 600 D N 2.953 123.363 120.400 0.016 0.000 2.451 600 D HA -0.003 4.637 4.640 0.000 0.000 0.254 600 D C 0.918 177.240 176.300 0.037 0.000 1.204 600 D CA 0.290 54.318 54.000 0.047 0.000 0.896 600 D CB 0.557 41.451 40.800 0.157 0.000 1.136 600 D HN 0.500 nan 8.370 nan 0.000 0.499 601 M N 3.145 122.738 119.600 -0.013 0.000 2.506 601 M HA 0.010 4.490 4.480 0.000 0.000 0.260 601 M C 1.842 178.074 176.300 -0.113 0.000 1.104 601 M CA 0.464 55.746 55.300 -0.030 0.000 1.112 601 M CB 0.301 32.884 32.600 -0.029 0.000 1.401 601 M HN 0.256 nan 8.290 nan 0.000 0.473 602 R N -0.521 119.849 120.500 -0.216 0.000 2.093 602 R HA -0.023 4.318 4.340 0.000 0.000 0.224 602 R C -0.353 175.540 176.300 -0.678 0.000 1.101 602 R CA 0.884 56.670 56.100 -0.523 0.000 0.979 602 R CB 0.127 29.972 30.300 -0.758 0.000 0.877 602 R HN 0.227 nan 8.270 nan 0.000 0.441 603 Y N 0.334 120.645 120.300 0.018 0.000 2.329 603 Y HA 0.285 4.835 4.550 0.000 0.000 0.328 603 Y C -0.404 175.532 175.900 0.059 0.000 0.992 603 Y CA -1.507 56.595 58.100 0.003 0.000 1.151 603 Y CB 1.379 39.784 38.460 -0.091 0.000 1.150 603 Y HN -0.163 nan 8.280 nan 0.000 0.450 604 E N 2.055 122.351 120.200 0.159 0.000 2.383 604 E HA 0.177 4.528 4.350 0.000 0.000 0.264 604 E C -0.309 176.380 176.600 0.148 0.000 1.050 604 E CA 0.142 56.617 56.400 0.125 0.000 0.896 604 E CB 0.168 29.920 29.700 0.087 0.000 0.982 604 E HN 0.647 nan 8.360 nan 0.000 0.424 605 N N 2.239 121.012 118.700 0.121 0.000 2.725 605 N HA -0.284 4.456 4.740 0.000 0.000 0.251 605 N C -0.833 174.779 175.510 0.170 0.000 1.031 605 N CA 0.763 53.878 53.050 0.108 0.000 0.720 605 N CB -1.100 37.435 38.487 0.081 0.000 0.930 605 N HN 0.536 nan 8.380 nan 0.000 0.543 606 H N -0.693 118.406 119.070 0.048 0.000 3.043 606 H HA 0.409 4.965 4.556 0.000 0.000 0.244 606 H C 0.880 176.231 175.328 0.038 0.000 1.199 606 H CA 0.882 56.957 56.048 0.044 0.000 0.956 606 H CB -0.076 29.733 29.762 0.078 0.000 2.305 606 H HN 0.589 nan 8.280 nan 0.000 0.665 607 G N 0.990 109.759 108.800 -0.052 0.000 2.642 607 G HA2 -0.247 3.713 3.960 0.000 0.000 0.231 607 G HA3 -0.247 3.713 3.960 0.000 0.000 0.231 607 G C -0.673 174.194 174.900 -0.055 0.000 1.338 607 G CA -0.314 44.732 45.100 -0.090 0.000 0.883 607 G HN 0.502 nan 8.290 nan 0.000 0.570 608 R N 0.127 120.589 120.500 -0.062 0.000 2.787 608 R HA 0.749 5.089 4.340 0.000 0.000 0.271 608 R C -0.603 175.666 176.300 -0.052 0.000 0.993 608 R CA -0.817 55.252 56.100 -0.053 0.000 0.993 608 R CB 1.802 32.069 30.300 -0.056 0.000 1.155 608 R HN 0.567 nan 8.270 nan 0.000 0.486 609 E N 0.947 121.099 120.200 -0.080 0.000 2.372 609 E HA 0.283 4.633 4.350 0.000 0.000 0.279 609 E C -2.731 173.737 176.600 -0.220 0.000 0.946 609 E CA -2.226 54.096 56.400 -0.129 0.000 0.769 609 E CB 2.107 31.766 29.700 -0.067 0.000 1.230 609 E HN 0.265 nan 8.360 nan 0.000 0.442 610 P HA 0.039 nan 4.420 nan 0.000 0.268 610 P C 0.842 177.989 177.300 -0.255 0.000 1.204 610 P CA -0.121 62.810 63.100 -0.282 0.000 0.768 610 P CB 0.439 31.940 31.700 -0.332 0.000 0.842 611 M N 5.064 124.536 119.600 -0.213 0.000 2.195 611 M HA -0.149 4.332 4.480 0.000 0.000 0.260 611 M C 1.653 177.854 176.300 -0.165 0.000 1.066 611 M CA 1.664 56.833 55.300 -0.220 0.000 1.089 611 M CB -1.361 31.066 32.600 -0.288 0.000 1.377 611 M HN 0.149 nan 8.290 nan 0.000 0.411 612 V N 0.236 120.080 119.914 -0.117 0.000 2.546 612 V HA -0.277 3.843 4.120 0.000 0.000 0.254 612 V C 2.128 178.073 176.094 -0.248 0.000 1.076 612 V CA 2.556 64.796 62.300 -0.099 0.000 1.087 612 V CB -1.035 30.777 31.823 -0.018 0.000 0.674 612 V HN 0.834 nan 8.190 nan 0.000 0.470 613 T N -1.204 113.116 114.554 -0.389 0.000 3.072 613 T HA -0.131 4.219 4.350 0.000 0.000 0.266 613 T C 1.098 175.696 174.700 -0.171 0.000 1.127 613 T CA 1.234 63.122 62.100 -0.354 0.000 1.107 613 T CB -0.196 68.501 68.868 -0.284 0.000 0.910 613 T HN 0.830 nan 8.240 nan 0.000 0.513 614 Q N -0.593 119.105 119.800 -0.169 0.000 2.052 614 Q HA 0.339 4.679 4.340 0.000 0.000 0.250 614 Q C 1.424 177.325 176.000 -0.165 0.000 0.851 614 Q CA -0.623 55.076 55.803 -0.173 0.000 1.029 614 Q CB -0.059 28.582 28.738 -0.162 0.000 1.274 614 Q HN 0.291 nan 8.270 nan 0.000 0.411 615 R N 1.417 121.824 120.500 -0.155 0.000 2.103 615 R HA -0.116 4.224 4.340 0.000 0.000 0.242 615 R C 0.515 176.716 176.300 -0.165 0.000 1.142 615 R CA 2.056 58.058 56.100 -0.164 0.000 0.960 615 R CB 0.080 30.251 30.300 -0.215 0.000 0.858 615 R HN 0.270 nan 8.270 nan 0.000 0.439 616 N N 0.395 118.970 118.700 -0.209 0.000 2.461 616 N HA -0.042 4.698 4.740 0.000 0.000 0.188 616 N C 1.126 176.479 175.510 -0.262 0.000 1.134 616 N CA 0.466 53.383 53.050 -0.221 0.000 0.878 616 N CB 0.238 38.582 38.487 -0.238 0.000 0.972 616 N HN 0.395 nan 8.380 nan 0.000 0.456 617 I N -0.349 120.070 120.570 -0.251 0.000 4.018 617 I HA -0.044 4.126 4.170 0.000 0.000 0.337 617 I C 1.986 178.076 176.117 -0.045 0.000 1.327 617 I CA 0.069 61.236 61.300 -0.223 0.000 1.100 617 I CB 0.032 37.828 38.000 -0.341 0.000 1.025 617 I HN 0.139 nan 8.210 nan 0.000 0.396 618 H N 1.598 120.605 119.070 -0.106 0.000 2.293 618 H HA -0.134 4.422 4.556 0.000 0.000 0.300 618 H C 1.995 177.217 175.328 -0.176 0.000 1.082 618 H CA 2.089 58.081 56.048 -0.092 0.000 1.308 618 H CB 0.204 29.947 29.762 -0.032 0.000 1.375 618 H HN 0.400 nan 8.280 nan 0.000 0.495 619 A N 0.529 123.361 122.820 0.020 0.000 1.902 619 A HA -0.227 4.094 4.320 0.000 0.000 0.217 619 A C 2.459 179.969 177.584 -0.122 0.000 1.181 619 A CA 1.474 53.471 52.037 -0.068 0.000 0.623 619 A CB -1.489 17.548 19.000 0.062 0.000 0.818 619 A HN 0.684 nan 8.150 nan 0.000 0.443 620 Y N 1.313 121.552 120.300 -0.103 0.000 2.114 620 Y HA -0.283 4.267 4.550 0.000 0.000 0.282 620 Y C 2.606 178.381 175.900 -0.208 0.000 1.165 620 Y CA 2.597 60.698 58.100 0.001 0.000 1.148 620 Y CB -0.514 38.013 38.460 0.112 0.000 0.972 620 Y HN 0.326 nan 8.280 nan 0.000 0.504 621 T N 1.215 115.715 114.554 -0.091 0.000 2.821 621 T HA -0.179 4.171 4.350 0.000 0.000 0.267 621 T C 1.766 175.993 174.700 -0.789 0.000 1.046 621 T CA 1.274 63.181 62.100 -0.323 0.000 1.139 621 T CB -0.628 68.094 68.868 -0.243 0.000 0.871 621 T HN 0.416 nan 8.240 nan 0.000 0.454 622 L N 1.084 121.601 121.223 -1.177 0.000 2.012 622 L HA -0.104 4.237 4.340 0.000 0.000 0.210 622 L C 2.407 178.780 176.870 -0.827 0.000 1.073 622 L CA 1.774 55.693 54.840 -1.535 0.000 0.748 622 L CB -1.023 40.289 42.059 -1.245 0.000 0.891 622 L HN 0.256 nan 8.230 nan 0.000 0.431 623 C N -0.043 118.884 119.300 -0.622 0.000 2.429 623 C HA -0.144 4.316 4.460 0.000 0.000 0.277 623 C C 2.701 177.128 174.990 -0.939 0.000 1.262 623 C CA 1.045 59.742 59.018 -0.536 0.000 1.733 623 C CB -1.025 26.534 27.740 -0.302 0.000 2.010 623 C HN 0.720 nan 8.230 nan 0.000 0.483 624 E N 1.032 120.341 120.200 -1.484 0.000 2.058 624 E HA -0.203 4.147 4.350 0.000 0.000 0.194 624 E C 2.110 178.313 176.600 -0.662 0.000 0.997 624 E CA 1.698 57.128 56.400 -1.616 0.000 0.801 624 E CB -0.072 28.924 29.700 -1.174 0.000 0.746 624 E HN 0.580 nan 8.360 nan 0.000 0.450 625 S N -0.116 115.319 115.700 -0.442 0.000 2.368 625 S HA -0.115 4.355 4.470 0.000 0.000 0.224 625 S C 2.023 176.641 174.600 0.030 0.000 1.029 625 S CA 1.503 59.642 58.200 -0.101 0.000 0.988 625 S CB -0.352 62.877 63.200 0.050 0.000 0.838 625 S HN 0.359 nan 8.310 nan 0.000 0.462 626 T N 1.944 116.498 114.554 0.000 0.000 2.708 626 T HA -0.113 4.237 4.350 0.000 0.000 0.266 626 T C 1.936 176.509 174.700 -0.212 0.000 1.037 626 T CA 1.565 63.639 62.100 -0.044 0.000 1.146 626 T CB -0.249 68.629 68.868 0.017 0.000 0.865 626 T HN 0.230 nan 8.240 nan 0.000 0.435 627 R N 1.647 122.012 120.500 -0.226 0.000 2.082 627 R HA -0.032 4.309 4.340 0.000 0.000 0.234 627 R C 2.285 178.520 176.300 -0.107 0.000 1.136 627 R CA 1.910 57.915 56.100 -0.159 0.000 0.935 627 R CB -0.404 29.826 30.300 -0.117 0.000 0.842 627 R HN 0.360 nan 8.270 nan 0.000 0.430 628 K N -0.639 119.701 120.400 -0.100 0.000 2.021 628 K HA -0.076 4.244 4.320 0.000 0.000 0.205 628 K C 1.631 178.211 176.600 -0.033 0.000 1.047 628 K CA 1.614 57.871 56.287 -0.049 0.000 0.943 628 K CB 0.062 32.543 32.500 -0.032 0.000 0.725 628 K HN 0.111 nan 8.250 nan 0.000 0.439 629 E N -0.694 119.495 120.200 -0.017 0.000 2.250 629 E HA 0.030 4.380 4.350 0.000 0.000 0.192 629 E C 1.582 178.158 176.600 -0.039 0.000 0.986 629 E CA 0.860 57.266 56.400 0.010 0.000 0.849 629 E CB 0.247 29.997 29.700 0.083 0.000 0.797 629 E HN 0.496 nan 8.360 nan 0.000 0.482 630 G N -0.087 108.632 108.800 -0.134 0.000 2.437 630 G HA2 -0.024 3.936 3.960 0.000 0.000 0.212 630 G HA3 -0.024 3.936 3.960 0.000 0.000 0.212 630 G C 1.523 176.333 174.900 -0.150 0.000 1.174 630 G CA 0.214 45.100 45.100 -0.357 0.000 0.811 630 G HN 0.120 nan 8.290 nan 0.000 0.537 631 I N -0.410 120.088 120.570 -0.120 0.000 2.899 631 I HA 0.077 4.247 4.170 0.000 0.000 0.257 631 I C 2.591 178.677 176.117 -0.051 0.000 1.115 631 I CA 0.117 61.390 61.300 -0.045 0.000 1.451 631 I CB 0.168 38.125 38.000 -0.072 0.000 1.251 631 I HN -0.043 nan 8.210 nan 0.000 0.456 632 V N 1.007 120.893 119.914 -0.047 0.000 2.270 632 V HA -0.241 3.879 4.120 0.000 0.000 0.245 632 V C 2.181 178.262 176.094 -0.021 0.000 1.043 632 V CA 1.887 64.167 62.300 -0.033 0.000 1.014 632 V CB -0.600 31.207 31.823 -0.027 0.000 0.645 632 V HN 0.388 nan 8.190 nan 0.000 0.447 633 E N 0.245 120.437 120.200 -0.012 0.000 2.338 633 E HA -0.138 4.213 4.350 0.000 0.000 0.197 633 E C 0.932 177.539 176.600 0.011 0.000 1.007 633 E CA 0.698 57.098 56.400 0.000 0.000 0.849 633 E CB -0.079 29.624 29.700 0.004 0.000 0.774 633 E HN 0.527 nan 8.360 nan 0.000 0.506 634 N N -0.331 118.383 118.700 0.023 0.000 2.234 634 N HA 0.151 4.891 4.740 0.000 0.000 0.227 634 N C 0.791 176.302 175.510 0.002 0.000 1.151 634 N CA 0.173 53.259 53.050 0.059 0.000 0.865 634 N CB 0.860 39.468 38.487 0.200 0.000 1.066 634 N HN 0.053 nan 8.380 nan 0.000 0.515 635 A N 0.743 123.542 122.820 -0.034 0.000 1.948 635 A HA -0.187 4.133 4.320 0.000 0.000 0.220 635 A C 1.566 179.127 177.584 -0.038 0.000 1.177 635 A CA 1.566 53.567 52.037 -0.060 0.000 0.636 635 A CB -0.191 18.786 19.000 -0.040 0.000 0.815 635 A HN 0.083 nan 8.150 nan 0.000 0.449 636 D N -0.979 119.415 120.400 -0.009 0.000 2.310 636 D HA -0.043 4.597 4.640 0.000 0.000 0.212 636 D C 1.611 177.920 176.300 0.015 0.000 0.965 636 D CA 1.569 55.570 54.000 0.002 0.000 0.879 636 D CB -0.281 40.524 40.800 0.009 0.000 0.921 636 D HN 0.461 nan 8.370 nan 0.000 0.510 637 T N -0.014 114.558 114.554 0.030 0.000 3.040 637 T HA 0.155 4.505 4.350 0.000 0.000 0.252 637 T C 1.089 175.828 174.700 0.065 0.000 1.064 637 T CA -0.264 61.881 62.100 0.075 0.000 1.110 637 T CB 0.452 69.406 68.868 0.144 0.000 0.921 637 T HN 0.032 nan 8.240 nan 0.000 0.480 638 L N 2.518 123.711 121.223 -0.050 0.000 2.506 638 L HA 0.077 4.417 4.340 0.000 0.000 0.281 638 L C 2.034 178.901 176.870 -0.005 0.000 1.228 638 L CA -0.044 54.726 54.840 -0.117 0.000 0.850 638 L CB 0.619 42.529 42.059 -0.248 0.000 1.110 638 L HN 0.320 nan 8.230 nan 0.000 0.496 639 T N -0.957 113.631 114.554 0.056 0.000 2.967 639 T HA 0.015 4.366 4.350 0.000 0.000 0.238 639 T C 1.559 176.231 174.700 -0.047 0.000 1.024 639 T CA 0.189 62.323 62.100 0.057 0.000 1.234 639 T CB -0.053 68.912 68.868 0.161 0.000 0.931 639 T HN 0.429 nan 8.240 nan 0.000 0.417 640 K N 0.137 120.481 120.400 -0.094 0.000 2.076 640 K HA 0.207 4.527 4.320 0.000 0.000 0.204 640 K C -0.378 175.884 176.600 -0.564 0.000 1.051 640 K CA 0.707 56.760 56.287 -0.390 0.000 0.949 640 K CB 0.046 32.220 32.500 -0.543 0.000 0.726 640 K HN 0.339 nan 8.250 nan 0.000 0.443 641 F N 0.319 120.274 119.950 0.009 0.000 2.445 641 F HA 0.352 4.879 4.527 0.000 0.000 0.348 641 F C 0.978 176.772 175.800 -0.010 0.000 1.125 641 F CA -0.803 57.222 58.000 0.042 0.000 0.983 641 F CB 1.515 40.626 39.000 0.185 0.000 1.198 641 F HN -0.251 nan 8.300 nan 0.000 0.436 642 R N 0.712 121.261 120.500 0.082 0.000 2.148 642 R HA -0.004 4.336 4.340 0.000 0.000 0.227 642 R C 1.079 177.381 176.300 0.003 0.000 1.103 642 R CA 0.607 56.712 56.100 0.009 0.000 0.983 642 R CB 0.127 30.423 30.300 -0.007 0.000 0.874 642 R HN 0.490 nan 8.270 nan 0.000 0.451 643 R N 0.594 121.124 120.500 0.051 0.000 2.490 643 R HA 0.135 4.475 4.340 0.000 0.000 0.278 643 R C -0.422 175.873 176.300 -0.008 0.000 1.069 643 R CA 0.151 56.251 56.100 0.001 0.000 1.080 643 R CB 1.248 31.537 30.300 -0.018 0.000 1.030 643 R HN -0.058 nan 8.270 nan 0.000 0.491 644 S N 1.387 117.069 115.700 -0.029 0.000 2.911 644 S HA 0.598 5.068 4.470 0.000 0.000 0.319 644 S C -2.015 172.644 174.600 0.099 0.000 1.154 644 S CA -0.561 57.655 58.200 0.026 0.000 0.857 644 S CB 1.011 64.196 63.200 -0.024 0.000 1.279 644 S HN 0.523 nan 8.310 nan 0.000 0.593 645 Y N -0.423 119.876 120.300 -0.002 0.000 2.677 645 Y HA 0.612 5.162 4.550 0.000 0.000 0.334 645 Y C -1.793 174.173 175.900 0.110 0.000 1.196 645 Y CA -0.888 57.194 58.100 -0.030 0.000 1.059 645 Y CB 1.040 39.380 38.460 -0.201 0.000 1.315 645 Y HN 0.656 nan 8.280 nan 0.000 0.455 646 I N 4.796 125.102 120.570 -0.439 0.000 2.466 646 I HA 0.394 4.564 4.170 0.000 0.000 0.289 646 I C -1.153 174.745 176.117 -0.364 0.000 1.026 646 I CA -0.835 60.308 61.300 -0.262 0.000 1.078 646 I CB 1.721 39.572 38.000 -0.248 0.000 1.249 646 I HN 0.314 nan 8.210 nan 0.000 0.429 647 I N 4.845 125.318 120.570 -0.161 0.000 2.337 647 I HA 0.256 4.426 4.170 0.000 0.000 0.285 647 I C 0.346 176.511 176.117 0.079 0.000 1.041 647 I CA 0.035 61.212 61.300 -0.205 0.000 1.199 647 I CB 0.957 38.642 38.000 -0.525 0.000 1.370 647 I HN 0.463 nan 8.210 nan 0.000 0.470 648 S N 5.435 121.165 115.700 0.050 0.000 2.617 648 S HA 0.392 4.863 4.470 0.000 0.000 0.283 648 S C 1.166 175.778 174.600 0.019 0.000 1.189 648 S CA -0.461 57.810 58.200 0.117 0.000 1.036 648 S CB 1.573 64.791 63.200 0.030 0.000 1.014 648 S HN 0.683 nan 8.310 nan 0.000 0.522 649 R N 1.758 122.187 120.500 -0.119 0.000 2.210 649 R HA 0.219 4.559 4.340 0.000 0.000 0.203 649 R C 0.745 176.857 176.300 -0.313 0.000 1.010 649 R CA 0.564 56.249 56.100 -0.691 0.000 1.008 649 R CB -0.037 29.788 30.300 -0.793 0.000 0.923 649 R HN 0.676 nan 8.270 nan 0.000 0.469 650 G N -1.340 107.436 108.800 -0.041 0.000 2.642 650 G HA2 0.597 4.557 3.960 0.000 0.000 0.293 650 G HA3 0.597 4.557 3.960 0.000 0.000 0.293 650 G C -1.049 173.958 174.900 0.178 0.000 1.341 650 G CA -0.189 44.977 45.100 0.110 0.000 0.916 650 G HN 0.296 nan 8.290 nan 0.000 0.474 651 G N -1.437 107.496 108.800 0.222 0.000 2.325 651 G HA2 0.549 4.509 3.960 0.000 0.000 0.295 651 G HA3 0.549 4.509 3.960 0.000 0.000 0.295 651 G C -2.339 172.501 174.900 -0.100 0.000 1.274 651 G CA -0.398 44.816 45.100 0.190 0.000 0.857 651 G HN 1.322 nan 8.290 nan 0.000 0.499 652 Y N -0.226 119.923 120.300 -0.252 0.000 2.588 652 Y HA 0.650 5.201 4.550 0.000 0.000 0.343 652 Y C 0.064 175.777 175.900 -0.311 0.000 1.065 652 Y CA -1.721 56.124 58.100 -0.426 0.000 1.038 652 Y CB 1.338 39.682 38.460 -0.194 0.000 1.297 652 Y HN 0.575 nan 8.280 nan 0.000 0.467 653 I N 3.951 123.880 120.570 -1.069 0.000 3.089 653 I HA 0.029 4.199 4.170 0.000 0.000 0.321 653 I C 1.295 177.136 176.117 -0.460 0.000 1.222 653 I CA 2.439 63.279 61.300 -0.767 0.000 1.452 653 I CB -0.568 36.811 38.000 -1.035 0.000 1.321 653 I HN 0.950 nan 8.210 nan 0.000 0.539 654 G N 5.320 113.960 108.800 -0.267 0.000 2.253 654 G HA2 -0.252 3.708 3.960 0.000 0.000 0.209 654 G HA3 -0.252 3.708 3.960 0.000 0.000 0.209 654 G C 1.036 175.799 174.900 -0.229 0.000 0.997 654 G CA 0.144 45.182 45.100 -0.103 0.000 0.640 654 G HN 0.581 nan 8.290 nan 0.000 0.496 655 N N 1.004 119.633 118.700 -0.117 0.000 2.430 655 N HA -0.133 4.607 4.740 0.000 0.000 0.186 655 N C 2.383 177.651 175.510 -0.403 0.000 1.032 655 N CA 1.495 54.406 53.050 -0.233 0.000 0.893 655 N CB -0.030 38.553 38.487 0.160 0.000 0.957 655 N HN 0.791 nan 8.380 nan 0.000 0.442 656 Q N 0.267 119.820 119.800 -0.412 0.000 2.291 656 Q HA -0.155 4.185 4.340 0.000 0.000 0.205 656 Q C 0.635 176.270 176.000 -0.609 0.000 0.970 656 Q CA 1.324 56.849 55.803 -0.464 0.000 0.876 656 Q CB -0.665 27.788 28.738 -0.476 0.000 0.935 656 Q HN 0.569 nan 8.270 nan 0.000 0.455 657 H N -0.882 117.826 119.070 -0.603 0.000 2.547 657 H HA 0.079 4.635 4.556 0.000 0.000 0.266 657 H C 0.389 175.449 175.328 -0.447 0.000 0.988 657 H CA 0.469 56.188 56.048 -0.549 0.000 1.147 657 H CB 0.200 29.608 29.762 -0.590 0.000 1.365 657 H HN 0.280 nan 8.280 nan 0.000 0.589 658 F N -0.503 119.330 119.950 -0.196 0.000 2.712 658 F HA 0.414 4.941 4.527 0.000 0.000 0.297 658 F C 1.592 177.163 175.800 -0.382 0.000 1.114 658 F CA 0.328 58.172 58.000 -0.260 0.000 1.305 658 F CB 0.717 39.537 39.000 -0.300 0.000 1.086 658 F HN 0.173 nan 8.300 nan 0.000 0.599 659 G N -0.647 107.955 108.800 -0.331 0.000 2.373 659 G HA2 0.394 4.355 3.960 0.000 0.000 0.250 659 G HA3 0.394 4.355 3.960 0.000 0.000 0.250 659 G C -0.558 174.064 174.900 -0.462 0.000 1.304 659 G CA -0.311 44.307 45.100 -0.803 0.000 0.948 659 G HN 0.414 nan 8.290 nan 0.000 0.474 660 G N -1.307 107.212 108.800 -0.469 0.000 3.209 660 G HA2 0.745 4.705 3.960 0.000 0.000 0.236 660 G HA3 0.745 4.705 3.960 0.000 0.000 0.236 660 G C -0.598 174.189 174.900 -0.189 0.000 1.329 660 G CA -0.666 44.336 45.100 -0.164 0.000 1.015 660 G HN 0.657 nan 8.290 nan 0.000 0.571 661 M N -0.418 119.088 119.600 -0.156 0.000 2.531 661 M HA 0.386 4.867 4.480 0.000 0.000 0.286 661 M C -1.766 174.525 176.300 -0.016 0.000 1.232 661 M CA -0.401 54.827 55.300 -0.121 0.000 0.877 661 M CB 2.342 34.824 32.600 -0.196 0.000 1.726 661 M HN 0.856 nan 8.290 nan 0.000 0.463 662 W N 0.927 122.100 121.300 -0.212 0.000 2.706 662 W HA 0.716 5.376 4.660 0.000 0.000 0.346 662 W C -1.086 175.376 176.519 -0.094 0.000 1.071 662 W CA -1.030 56.286 57.345 -0.049 0.000 1.206 662 W CB 0.683 30.165 29.460 0.037 0.000 1.413 662 W HN 0.275 nan 8.180 nan 0.000 0.542 663 V N 6.428 126.238 119.914 -0.174 0.000 2.743 663 V HA 0.285 4.406 4.120 0.000 0.000 0.356 663 V C 1.370 177.170 176.094 -0.489 0.000 1.594 663 V CA 0.770 62.888 62.300 -0.304 0.000 1.652 663 V CB -1.479 30.366 31.823 0.037 0.000 1.389 663 V HN 1.235 nan 8.190 nan 0.000 0.514 664 G N 2.308 110.220 108.800 -1.481 0.000 2.594 664 G HA2 -0.279 3.681 3.960 0.000 0.000 0.297 664 G HA3 -0.279 3.681 3.960 0.000 0.000 0.297 664 G C -0.216 174.614 174.900 -0.117 0.000 1.273 664 G CA 0.354 44.740 45.100 -1.190 0.000 0.974 664 G HN 0.564 nan 8.290 nan 0.000 0.552 665 D N 2.325 122.775 120.400 0.084 0.000 2.456 665 D HA 0.406 5.046 4.640 0.000 0.000 0.219 665 D C 0.923 177.273 176.300 0.084 0.000 1.126 665 D CA -0.200 53.875 54.000 0.125 0.000 0.890 665 D CB 0.345 41.215 40.800 0.117 0.000 1.025 665 D HN 0.609 nan 8.370 nan 0.000 0.511 666 N N 0.255 118.969 118.700 0.023 0.000 2.431 666 N HA 0.362 5.102 4.740 0.000 0.000 0.289 666 N C -0.147 175.060 175.510 -0.505 0.000 1.277 666 N CA -0.537 52.264 53.050 -0.415 0.000 0.972 666 N CB 0.692 39.154 38.487 -0.042 0.000 1.143 666 N HN 0.129 nan 8.380 nan 0.000 0.578 667 S N -3.074 111.920 115.700 -1.177 0.000 2.806 667 S HA 0.565 5.035 4.470 0.000 0.000 0.306 667 S C -1.162 173.227 174.600 -0.352 0.000 1.167 667 S CA -0.693 57.062 58.200 -0.741 0.000 0.847 667 S CB 0.544 63.299 63.200 -0.741 0.000 1.216 667 S HN 0.558 nan 8.310 nan 0.000 0.532 668 T N 2.114 116.620 114.554 -0.079 0.000 3.400 668 T HA 0.506 4.856 4.350 0.000 0.000 0.362 668 T C -0.381 174.283 174.700 -0.061 0.000 1.823 668 T CA -0.361 61.732 62.100 -0.012 0.000 1.374 668 T CB -0.504 68.291 68.868 -0.121 0.000 1.130 668 T HN 0.713 nan 8.240 nan 0.000 0.744 669 T N -2.354 112.305 114.554 0.174 0.000 2.843 669 T HA 0.442 4.792 4.350 0.000 0.000 0.302 669 T C 1.256 175.999 174.700 0.071 0.000 1.232 669 T CA -0.689 61.495 62.100 0.140 0.000 1.009 669 T CB 1.545 70.578 68.868 0.275 0.000 1.254 669 T HN -0.093 nan 8.240 nan 0.000 0.504 670 S N 0.832 116.541 115.700 0.014 0.000 2.365 670 S HA -0.164 4.306 4.470 0.000 0.000 0.225 670 S C 1.880 176.324 174.600 -0.260 0.000 1.039 670 S CA 2.047 60.164 58.200 -0.138 0.000 1.033 670 S CB -0.854 62.327 63.200 -0.032 0.000 0.887 670 S HN 0.812 nan 8.310 nan 0.000 0.447 671 N N -0.263 118.346 118.700 -0.152 0.000 2.137 671 N HA -0.150 4.590 4.740 0.000 0.000 0.190 671 N C 1.373 176.646 175.510 -0.395 0.000 1.017 671 N CA 1.446 54.359 53.050 -0.227 0.000 0.859 671 N CB -0.236 38.178 38.487 -0.122 0.000 1.002 671 N HN 0.432 nan 8.380 nan 0.000 0.428 672 Y N 0.838 121.029 120.300 -0.182 0.000 2.373 672 Y HA 0.047 4.597 4.550 0.000 0.000 0.293 672 Y C 1.967 177.769 175.900 -0.163 0.000 1.129 672 Y CA 0.458 58.488 58.100 -0.117 0.000 1.226 672 Y CB -0.052 38.420 38.460 0.021 0.000 1.000 672 Y HN 0.087 nan 8.280 nan 0.000 0.549 673 I N -0.301 120.106 120.570 -0.272 0.000 2.252 673 I HA -0.339 3.831 4.170 0.000 0.000 0.245 673 I C 2.084 178.079 176.117 -0.203 0.000 1.102 673 I CA 1.425 62.461 61.300 -0.441 0.000 1.385 673 I CB -0.434 37.207 38.000 -0.599 0.000 1.064 673 I HN 0.265 nan 8.210 nan 0.000 0.414 674 Q N 0.269 119.937 119.800 -0.220 0.000 2.061 674 Q HA -0.222 4.118 4.340 0.000 0.000 0.204 674 Q C 2.320 178.301 176.000 -0.032 0.000 0.984 674 Q CA 1.687 57.415 55.803 -0.125 0.000 0.846 674 Q CB -0.182 28.475 28.738 -0.134 0.000 0.902 674 Q HN 0.496 nan 8.270 nan 0.000 0.421 675 M N -0.193 119.357 119.600 -0.084 0.000 2.159 675 M HA -0.183 4.297 4.480 0.000 0.000 0.263 675 M C 2.350 178.703 176.300 0.088 0.000 1.063 675 M CA 1.250 56.542 55.300 -0.014 0.000 1.110 675 M CB -0.242 32.310 32.600 -0.080 0.000 1.374 675 M HN 0.363 nan 8.290 nan 0.000 0.411 676 M N 0.693 120.364 119.600 0.119 0.000 2.080 676 M HA -0.237 4.243 4.480 0.000 0.000 0.260 676 M C 1.936 178.281 176.300 0.075 0.000 1.068 676 M CA 1.906 57.301 55.300 0.158 0.000 1.109 676 M CB -0.156 32.567 32.600 0.206 0.000 1.342 676 M HN 0.200 nan 8.290 nan 0.000 0.405 677 I N 0.374 120.962 120.570 0.032 0.000 2.179 677 I HA -0.241 3.930 4.170 0.000 0.000 0.242 677 I C 2.689 178.791 176.117 -0.026 0.000 1.088 677 I CA 1.294 62.575 61.300 -0.031 0.000 1.357 677 I CB -0.712 37.313 38.000 0.042 0.000 1.051 677 I HN 0.405 nan 8.210 nan 0.000 0.409 678 A N 0.826 123.671 122.820 0.041 0.000 1.902 678 A HA -0.235 4.085 4.320 0.000 0.000 0.217 678 A C 2.038 179.652 177.584 0.050 0.000 1.181 678 A CA 2.130 54.207 52.037 0.066 0.000 0.623 678 A CB -1.103 17.960 19.000 0.105 0.000 0.818 678 A HN 0.503 nan 8.150 nan 0.000 0.443 679 N N -0.157 118.570 118.700 0.045 0.000 2.069 679 N HA -0.194 4.546 4.740 0.000 0.000 0.191 679 N C 1.880 177.394 175.510 0.008 0.000 1.031 679 N CA 1.206 54.274 53.050 0.030 0.000 0.852 679 N CB -0.210 38.301 38.487 0.041 0.000 1.018 679 N HN 0.531 nan 8.380 nan 0.000 0.423 680 N N 1.345 120.040 118.700 -0.009 0.000 2.106 680 N HA -0.080 4.660 4.740 0.000 0.000 0.188 680 N C 1.776 177.250 175.510 -0.060 0.000 1.029 680 N CA 0.943 53.970 53.050 -0.039 0.000 0.848 680 N CB 0.000 38.436 38.487 -0.086 0.000 1.007 680 N HN 0.198 nan 8.380 nan 0.000 0.423 681 I N 1.379 121.903 120.570 -0.076 0.000 2.226 681 I HA -0.259 3.911 4.170 0.000 0.000 0.245 681 I C 1.826 177.963 176.117 0.033 0.000 1.100 681 I CA 0.911 62.191 61.300 -0.032 0.000 1.374 681 I CB -0.301 37.700 38.000 0.002 0.000 1.057 681 I HN 0.117 nan 8.210 nan 0.000 0.413 682 N N 0.222 118.956 118.700 0.056 0.000 2.188 682 N HA -0.099 4.641 4.740 0.000 0.000 0.184 682 N C 1.831 177.395 175.510 0.089 0.000 1.018 682 N CA 1.209 54.319 53.050 0.100 0.000 0.858 682 N CB -0.168 38.383 38.487 0.107 0.000 0.989 682 N HN 0.225 nan 8.380 nan 0.000 0.426 683 M N 0.886 120.498 119.600 0.019 0.000 2.132 683 M HA -0.038 4.442 4.480 0.000 0.000 0.263 683 M C 1.628 177.906 176.300 -0.037 0.000 1.065 683 M CA 0.862 56.133 55.300 -0.048 0.000 1.122 683 M CB -1.113 31.402 32.600 -0.141 0.000 1.365 683 M HN 0.194 nan 8.290 nan 0.000 0.411 684 N N 0.921 119.608 118.700 -0.022 0.000 2.061 684 N HA -0.173 4.567 4.740 0.000 0.000 0.193 684 N C 1.681 177.204 175.510 0.022 0.000 1.030 684 N CA 1.899 54.936 53.050 -0.021 0.000 0.856 684 N CB -0.252 38.221 38.487 -0.023 0.000 1.023 684 N HN 0.511 nan 8.380 nan 0.000 0.424 685 M N -0.862 118.791 119.600 0.089 0.000 2.619 685 M HA 0.150 4.631 4.480 0.000 0.000 0.251 685 M C 0.659 177.169 176.300 0.349 0.000 1.106 685 M CA 1.071 56.484 55.300 0.189 0.000 1.086 685 M CB 0.335 33.047 32.600 0.186 0.000 1.465 685 M HN -0.207 nan 8.290 nan 0.000 0.506 686 S N -0.058 115.780 115.700 0.230 0.000 2.582 686 S HA 0.202 4.672 4.470 0.000 0.000 0.234 686 S C 0.478 175.014 174.600 -0.108 0.000 0.961 686 S CA -0.189 58.106 58.200 0.158 0.000 0.953 686 S CB -0.591 62.769 63.200 0.266 0.000 0.800 686 S HN 0.735 nan 8.310 nan 0.000 0.471 687 C N 1.504 120.736 119.300 -0.114 0.000 4.456 687 C HA -0.112 4.348 4.460 0.000 0.000 0.288 687 C C 0.053 174.902 174.990 -0.234 0.000 1.374 687 C CA -0.185 58.693 59.018 -0.233 0.000 1.956 687 C CB -2.268 25.202 27.740 -0.450 0.000 1.255 687 C HN 0.575 nan 8.230 nan 0.000 0.788 688 L N 2.302 123.417 121.223 -0.180 0.000 2.408 688 L HA 0.356 4.696 4.340 0.000 0.000 0.257 688 L C -1.004 175.773 176.870 -0.155 0.000 1.053 688 L CA -1.281 53.431 54.840 -0.213 0.000 0.922 688 L CB 1.242 43.095 42.059 -0.344 0.000 1.261 688 L HN -0.001 nan 8.230 nan 0.000 0.458 689 P HA -0.039 nan 4.420 nan 0.000 0.220 689 P C 0.756 178.056 177.300 0.000 0.000 1.154 689 P CA 0.405 63.467 63.100 -0.064 0.000 0.830 689 P CB 1.017 32.672 31.700 -0.075 0.000 0.803 690 L N 1.215 122.442 121.223 0.008 0.000 2.387 690 L HA 0.318 4.658 4.340 0.000 0.000 0.267 690 L C -0.378 176.538 176.870 0.077 0.000 1.197 690 L CA -0.407 54.480 54.840 0.079 0.000 1.070 690 L CB 0.103 42.197 42.059 0.058 0.000 1.349 690 L HN -0.201 nan 8.230 nan 0.000 0.422 691 V N 3.045 123.041 119.914 0.136 0.000 3.078 691 V HA 1.006 5.126 4.120 0.000 0.000 0.311 691 V C -0.287 175.994 176.094 0.311 0.000 1.138 691 V CA 0.052 62.437 62.300 0.142 0.000 1.007 691 V CB 2.265 34.093 31.823 0.008 0.000 1.045 691 V HN 0.597 nan 8.190 nan 0.000 0.432 692 G N 2.352 111.404 108.800 0.419 0.000 2.576 692 G HA2 0.618 4.578 3.960 0.000 0.000 0.290 692 G HA3 0.618 4.578 3.960 0.000 0.000 0.290 692 G C -1.446 173.737 174.900 0.473 0.000 1.442 692 G CA -0.163 45.209 45.100 0.454 0.000 0.792 692 G HN 0.985 nan 8.290 nan 0.000 0.491 693 S N -0.170 115.772 115.700 0.404 0.000 2.607 693 S HA 0.564 5.034 4.470 0.000 0.000 0.303 693 S C -1.104 173.721 174.600 0.375 0.000 1.086 693 S CA -0.820 57.637 58.200 0.427 0.000 0.995 693 S CB 1.744 65.191 63.200 0.412 0.000 1.084 693 S HN 0.547 nan 8.310 nan 0.000 0.507 694 D N 2.088 122.713 120.400 0.376 0.000 2.502 694 D HA 0.066 4.706 4.640 0.000 0.000 0.249 694 D C -0.032 176.295 176.300 0.045 0.000 1.188 694 D CA 0.323 54.465 54.000 0.236 0.000 0.890 694 D CB 0.094 41.093 40.800 0.332 0.000 1.140 694 D HN 0.244 nan 8.370 nan 0.000 0.505 695 I N 2.083 122.636 120.570 -0.028 0.000 2.452 695 I HA 0.164 4.334 4.170 0.000 0.000 0.287 695 I C 1.777 177.606 176.117 -0.480 0.000 1.079 695 I CA 0.473 61.660 61.300 -0.189 0.000 1.387 695 I CB 0.187 38.180 38.000 -0.012 0.000 1.404 695 I HN 0.704 nan 8.210 nan 0.000 0.522 696 G N 4.629 112.656 108.800 -1.288 0.000 2.258 696 G HA2 -0.065 3.895 3.960 0.000 0.000 0.233 696 G HA3 -0.065 3.895 3.960 0.000 0.000 0.233 696 G C 0.596 175.061 174.900 -0.726 0.000 1.006 696 G CA 0.160 44.729 45.100 -0.886 0.000 0.620 696 G HN 1.640 nan 8.290 nan 0.000 0.511 697 G N -1.517 106.920 108.800 -0.605 0.000 2.788 697 G HA2 0.234 4.194 3.960 0.000 0.000 0.686 697 G HA3 0.234 4.194 3.960 0.000 0.000 0.686 697 G C 0.085 174.989 174.900 0.007 0.000 1.147 697 G CA 0.128 45.126 45.100 -0.169 0.000 0.755 697 G HN 1.468 nan 8.290 nan 0.000 0.634 698 F N 2.001 121.935 119.950 -0.028 0.000 2.094 698 F HA 0.229 4.756 4.527 0.000 0.000 0.291 698 F C 2.241 178.088 175.800 0.079 0.000 1.109 698 F CA 2.247 60.277 58.000 0.049 0.000 1.221 698 F CB -0.259 38.805 39.000 0.106 0.000 1.014 698 F HN 0.939 nan 8.300 nan 0.000 0.473 699 T N -0.730 113.870 114.554 0.077 0.000 2.816 699 T HA 0.322 4.672 4.350 0.000 0.000 0.282 699 T C 0.429 175.154 174.700 0.042 0.000 0.993 699 T CA -0.643 61.474 62.100 0.027 0.000 0.994 699 T CB 0.884 69.832 68.868 0.134 0.000 1.025 699 T HN 0.163 nan 8.240 nan 0.000 0.529 700 S N 0.804 116.544 115.700 0.067 0.000 2.573 700 S HA 0.200 4.671 4.470 0.000 0.000 0.277 700 S C 0.293 174.974 174.600 0.135 0.000 1.346 700 S CA -0.199 58.051 58.200 0.084 0.000 1.034 700 S CB -0.148 63.075 63.200 0.039 0.000 0.879 700 S HN 0.945 nan 8.310 nan 0.000 0.528 701 Y N -0.846 119.466 120.300 0.021 0.000 2.441 701 Y HA 0.452 5.002 4.550 0.000 0.000 0.266 701 Y C 0.175 176.106 175.900 0.053 0.000 1.093 701 Y CA -0.637 57.490 58.100 0.046 0.000 1.246 701 Y CB 0.061 38.556 38.460 0.058 0.000 1.262 701 Y HN 0.456 nan 8.280 nan 0.000 0.518 702 D N 2.165 122.135 120.400 -0.717 0.000 2.352 702 D HA 0.077 4.717 4.640 0.000 0.000 0.245 702 D C 0.359 176.541 176.300 -0.197 0.000 1.224 702 D CA 0.132 53.825 54.000 -0.512 0.000 0.879 702 D CB 0.421 40.826 40.800 -0.657 0.000 1.057 702 D HN 0.270 nan 8.370 nan 0.000 0.491 703 N N 3.086 121.739 118.700 -0.078 0.000 2.364 703 N HA -0.128 4.612 4.740 0.000 0.000 0.183 703 N C 1.078 176.566 175.510 -0.037 0.000 1.022 703 N CA 0.682 53.715 53.050 -0.028 0.000 0.883 703 N CB 0.345 38.839 38.487 0.012 0.000 0.965 703 N HN 0.579 nan 8.380 nan 0.000 0.438 704 E N 0.308 120.475 120.200 -0.055 0.000 2.086 704 E HA 0.007 4.357 4.350 0.000 0.000 0.190 704 E C 0.283 176.844 176.600 -0.065 0.000 0.975 704 E CA 0.575 56.947 56.400 -0.047 0.000 0.813 704 E CB -0.038 29.638 29.700 -0.040 0.000 0.768 704 E HN 0.166 nan 8.360 nan 0.000 0.457 705 N N 0.769 119.407 118.700 -0.104 0.000 2.549 705 N HA -0.003 4.737 4.740 0.000 0.000 0.281 705 N C 0.534 175.949 175.510 -0.159 0.000 1.084 705 N CA -0.037 52.941 53.050 -0.121 0.000 0.862 705 N CB 1.321 39.728 38.487 -0.133 0.000 1.333 705 N HN -0.052 nan 8.380 nan 0.000 0.523 706 Q N 2.306 122.041 119.800 -0.107 0.000 2.226 706 Q HA -0.068 4.272 4.340 0.000 0.000 0.204 706 Q C 0.581 176.512 176.000 -0.115 0.000 0.975 706 Q CA 1.165 56.915 55.803 -0.089 0.000 0.866 706 Q CB 0.028 28.784 28.738 0.029 0.000 0.915 706 Q HN 0.455 nan 8.270 nan 0.000 0.440 707 R N 0.786 121.190 120.500 -0.159 0.000 2.276 707 R HA 0.069 4.409 4.340 0.000 0.000 0.203 707 R C 0.160 176.338 176.300 -0.204 0.000 1.017 707 R CA 0.626 56.614 56.100 -0.187 0.000 1.010 707 R CB -0.028 30.053 30.300 -0.365 0.000 0.900 707 R HN 0.174 nan 8.270 nan 0.000 0.469 708 T N 3.855 118.272 114.554 -0.228 0.000 2.831 708 T HA 0.054 4.404 4.350 0.000 0.000 0.291 708 T C -2.266 172.344 174.700 -0.150 0.000 0.981 708 T CA -0.811 61.161 62.100 -0.213 0.000 1.174 708 T CB 0.721 69.448 68.868 -0.236 0.000 0.929 708 T HN -0.016 nan 8.240 nan 0.000 0.532 709 P HA 0.131 nan 4.420 nan 0.000 0.272 709 P C 0.335 177.718 177.300 0.138 0.000 1.230 709 P CA -0.868 62.100 63.100 -0.219 0.000 0.788 709 P CB 0.379 31.622 31.700 -0.762 0.000 0.949 710 C N 2.660 122.034 119.300 0.124 0.000 2.431 710 C HA 0.065 4.525 4.460 0.000 0.000 0.397 710 C C 1.151 176.222 174.990 0.134 0.000 1.436 710 C CA 0.565 59.607 59.018 0.041 0.000 1.596 710 C CB -1.562 26.153 27.740 -0.041 0.000 2.550 710 C HN 0.771 nan 8.230 nan 0.000 0.596 711 T N 3.593 118.183 114.554 0.061 0.000 2.898 711 T HA 0.354 4.704 4.350 0.000 0.000 0.301 711 T C 1.403 176.144 174.700 0.068 0.000 1.049 711 T CA 0.035 62.208 62.100 0.121 0.000 1.095 711 T CB 1.244 70.159 68.868 0.079 0.000 0.976 711 T HN 1.041 nan 8.240 nan 0.000 0.539 712 G N 0.812 109.698 108.800 0.144 0.000 2.469 712 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 712 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 712 G C 1.153 176.004 174.900 -0.082 0.000 1.150 712 G CA 1.144 46.247 45.100 0.004 0.000 0.763 712 G HN 0.919 nan 8.290 nan 0.000 0.561 713 D N -0.563 119.830 120.400 -0.011 0.000 2.123 713 D HA -0.038 4.602 4.640 0.000 0.000 0.200 713 D C 2.317 178.601 176.300 -0.026 0.000 0.976 713 D CA 0.419 54.412 54.000 -0.012 0.000 0.831 713 D CB -0.171 40.643 40.800 0.022 0.000 0.974 713 D HN 0.166 nan 8.370 nan 0.000 0.469 714 L N 0.038 121.249 121.223 -0.021 0.000 2.093 714 L HA -0.021 4.319 4.340 0.000 0.000 0.208 714 L C 2.144 179.031 176.870 0.029 0.000 1.085 714 L CA 1.382 56.221 54.840 -0.002 0.000 0.755 714 L CB -0.549 41.501 42.059 -0.015 0.000 0.904 714 L HN 0.175 nan 8.230 nan 0.000 0.435 715 M N -1.553 117.998 119.600 -0.082 0.000 2.117 715 M HA -0.131 4.349 4.480 0.000 0.000 0.262 715 M C 2.040 178.286 176.300 -0.089 0.000 1.065 715 M CA 1.851 57.065 55.300 -0.144 0.000 1.114 715 M CB -0.586 31.699 32.600 -0.526 0.000 1.361 715 M HN 0.053 nan 8.290 nan 0.000 0.408 716 V N 0.797 120.636 119.914 -0.126 0.000 2.287 716 V HA -0.296 3.824 4.120 0.000 0.000 0.248 716 V C 2.629 178.659 176.094 -0.106 0.000 1.053 716 V CA 1.891 64.125 62.300 -0.111 0.000 1.027 716 V CB -0.849 30.915 31.823 -0.099 0.000 0.646 716 V HN 0.434 nan 8.190 nan 0.000 0.447 717 R N -1.351 119.111 120.500 -0.064 0.000 2.115 717 R HA -0.113 4.227 4.340 0.000 0.000 0.230 717 R C 2.076 178.365 176.300 -0.019 0.000 1.111 717 R CA 1.275 57.334 56.100 -0.069 0.000 0.976 717 R CB -0.991 29.274 30.300 -0.058 0.000 0.870 717 R HN 0.546 nan 8.270 nan 0.000 0.445 718 Y N 0.755 121.030 120.300 -0.041 0.000 2.181 718 Y HA -0.164 4.387 4.550 0.000 0.000 0.288 718 Y C 2.452 178.400 175.900 0.080 0.000 1.146 718 Y CA 1.019 59.132 58.100 0.021 0.000 1.164 718 Y CB -0.300 38.166 38.460 0.010 0.000 0.982 718 Y HN -0.255 nan 8.280 nan 0.000 0.515 719 V N -0.168 119.890 119.914 0.240 0.000 2.307 719 V HA -0.320 3.800 4.120 0.000 0.000 0.245 719 V C 2.088 178.252 176.094 0.117 0.000 1.045 719 V CA 2.101 64.556 62.300 0.259 0.000 1.024 719 V CB -0.570 31.350 31.823 0.160 0.000 0.651 719 V HN 0.417 nan 8.190 nan 0.000 0.449 720 Q N -0.120 119.595 119.800 -0.141 0.000 2.096 720 Q HA -0.185 4.156 4.340 0.000 0.000 0.204 720 Q C 2.328 178.319 176.000 -0.014 0.000 0.982 720 Q CA 1.851 57.469 55.803 -0.308 0.000 0.850 720 Q CB -0.415 27.980 28.738 -0.572 0.000 0.901 720 Q HN 0.671 nan 8.270 nan 0.000 0.422 721 A N 0.425 123.277 122.820 0.053 0.000 2.014 721 A HA -0.011 4.309 4.320 0.000 0.000 0.218 721 A C 2.073 179.792 177.584 0.225 0.000 1.163 721 A CA 1.363 53.488 52.037 0.146 0.000 0.652 721 A CB -0.453 18.595 19.000 0.080 0.000 0.808 721 A HN 0.448 nan 8.150 nan 0.000 0.449 722 G N -1.038 107.910 108.800 0.246 0.000 2.986 722 G HA2 0.015 3.975 3.960 0.000 0.000 0.213 722 G HA3 0.015 3.975 3.960 0.000 0.000 0.213 722 G C 1.380 176.273 174.900 -0.012 0.000 1.156 722 G CA 0.858 46.127 45.100 0.281 0.000 0.763 722 G HN 0.826 nan 8.290 nan 0.000 0.547 723 C N -0.843 118.382 119.300 -0.124 0.000 2.437 723 C HA 0.321 4.781 4.460 0.000 0.000 0.283 723 C C 1.980 176.854 174.990 -0.194 0.000 1.424 723 C CA 0.151 58.891 59.018 -0.463 0.000 1.782 723 C CB -0.927 26.811 27.740 -0.003 0.000 1.833 723 C HN 0.248 nan 8.230 nan 0.000 0.532 724 L N -0.129 121.137 121.223 0.073 0.000 2.966 724 L HA 0.381 4.721 4.340 0.000 0.000 0.262 724 L C 0.509 177.488 176.870 0.183 0.000 1.165 724 L CA -0.213 54.731 54.840 0.174 0.000 0.978 724 L CB -0.030 42.222 42.059 0.323 0.000 1.337 724 L HN 0.236 nan 8.230 nan 0.000 0.563 725 L N 1.056 122.374 121.223 0.158 0.000 2.439 725 L HA 0.103 4.443 4.340 0.000 0.000 0.269 725 L C -1.169 175.846 176.870 0.243 0.000 1.179 725 L CA -1.347 53.583 54.840 0.151 0.000 0.828 725 L CB 0.346 42.484 42.059 0.133 0.000 1.106 725 L HN -0.182 nan 8.230 nan 0.000 0.467 726 P HA -0.152 nan 4.420 nan 0.000 0.217 726 P C -0.338 177.280 177.300 0.529 0.000 1.150 726 P CA 1.123 64.496 63.100 0.456 0.000 0.832 726 P CB 0.163 32.089 31.700 0.377 0.000 0.787 727 W N 0.522 121.974 121.300 0.254 0.000 2.361 727 W HA 0.444 5.104 4.660 0.000 0.000 0.314 727 W C -1.836 174.928 176.519 0.408 0.000 1.041 727 W CA -0.915 56.581 57.345 0.252 0.000 1.241 727 W CB 0.815 30.373 29.460 0.163 0.000 1.279 727 W HN -0.246 nan 8.180 nan 0.000 0.436 728 F N 8.171 127.926 119.950 -0.325 0.000 2.552 728 F HA 0.440 4.967 4.527 0.000 0.000 0.369 728 F C -0.863 174.757 175.800 -0.300 0.000 1.112 728 F CA -1.045 56.869 58.000 -0.144 0.000 1.129 728 F CB 0.398 39.502 39.000 0.174 0.000 1.360 728 F HN 0.457 nan 8.300 nan 0.000 0.473 729 R N 4.383 124.500 120.500 -0.638 0.000 2.538 729 R HA 0.319 4.659 4.340 0.000 0.000 0.292 729 R C -1.305 174.839 176.300 -0.259 0.000 1.008 729 R CA -0.671 55.081 56.100 -0.580 0.000 0.896 729 R CB 1.111 30.965 30.300 -0.745 0.000 1.187 729 R HN 0.515 nan 8.270 nan 0.000 0.440 730 N N 3.532 122.144 118.700 -0.147 0.000 2.430 730 N HA 0.070 4.810 4.740 0.000 0.000 0.265 730 N C -1.542 174.068 175.510 0.167 0.000 1.100 730 N CA 0.367 53.450 53.050 0.055 0.000 0.961 730 N CB 0.616 39.230 38.487 0.212 0.000 1.075 730 N HN 0.692 nan 8.380 nan 0.000 0.478 731 H N 3.485 122.621 119.070 0.109 0.000 2.954 731 H HA 0.286 4.842 4.556 0.000 0.000 0.361 731 H C -1.517 174.045 175.328 0.390 0.000 1.122 731 H CA -0.530 55.639 56.048 0.202 0.000 1.217 731 H CB 1.346 31.112 29.762 0.007 0.000 1.776 731 H HN 0.645 nan 8.280 nan 0.000 0.533 732 Y N 1.324 121.409 120.300 -0.359 0.000 2.638 732 Y HA 0.316 4.866 4.550 0.000 0.000 0.335 732 Y C -1.680 173.753 175.900 -0.778 0.000 1.155 732 Y CA -1.208 56.584 58.100 -0.513 0.000 1.046 732 Y CB 1.163 39.467 38.460 -0.261 0.000 1.303 732 Y HN 0.437 nan 8.280 nan 0.000 0.460 733 D N 2.062 121.800 120.400 -1.102 0.000 2.316 733 D HA 0.206 4.846 4.640 0.000 0.000 0.245 733 D C -0.795 175.306 176.300 -0.332 0.000 1.171 733 D CA -0.216 53.361 54.000 -0.706 0.000 0.856 733 D CB 0.684 41.143 40.800 -0.569 0.000 1.090 733 D HN 0.695 nan 8.370 nan 0.000 0.476 734 R N 4.164 124.406 120.500 -0.430 0.000 2.294 734 R HA 0.239 4.579 4.340 0.000 0.000 0.319 734 R C -0.839 175.399 176.300 -0.103 0.000 0.984 734 R CA -0.896 55.105 56.100 -0.166 0.000 0.861 734 R CB 0.553 30.697 30.300 -0.260 0.000 1.104 734 R HN 0.513 nan 8.270 nan 0.000 0.451 735 W N 8.093 129.321 121.300 -0.121 0.000 2.381 735 W HA 0.211 4.871 4.660 0.000 0.000 0.321 735 W C -0.358 176.081 176.519 -0.133 0.000 1.407 735 W CA -0.079 57.180 57.345 -0.143 0.000 1.274 735 W CB 0.330 29.741 29.460 -0.080 0.000 1.310 735 W HN 0.538 nan 8.180 nan 0.000 0.551 736 I N 1.905 122.186 120.570 -0.481 0.000 3.074 736 I HA 0.370 4.540 4.170 0.000 0.000 0.310 736 I C 0.939 176.510 176.117 -0.910 0.000 1.153 736 I CA -0.997 60.078 61.300 -0.375 0.000 0.993 736 I CB 2.126 39.985 38.000 -0.236 0.000 1.237 736 I HN 0.524 nan 8.210 nan 0.000 0.443 737 E N 1.721 121.639 120.200 -0.470 0.000 2.097 737 E HA -0.238 4.112 4.350 0.000 0.000 0.196 737 E C 1.625 177.970 176.600 -0.426 0.000 1.000 737 E CA 2.540 58.696 56.400 -0.406 0.000 0.804 737 E CB 0.125 29.775 29.700 -0.083 0.000 0.740 737 E HN 0.810 nan 8.360 nan 0.000 0.454 738 S N -0.908 114.581 115.700 -0.351 0.000 2.548 738 S HA 0.058 4.528 4.470 0.000 0.000 0.215 738 S C 0.827 175.218 174.600 -0.348 0.000 0.976 738 S CA -0.155 57.881 58.200 -0.274 0.000 0.908 738 S CB 0.322 63.411 63.200 -0.184 0.000 0.781 738 S HN 0.090 nan 8.310 nan 0.000 0.519 739 K N 2.280 122.356 120.400 -0.540 0.000 2.752 739 K HA 0.119 4.439 4.320 0.000 0.000 0.199 739 K C -1.342 174.682 176.600 -0.960 0.000 1.069 739 K CA -0.189 55.707 56.287 -0.652 0.000 1.033 739 K CB 0.463 32.543 32.500 -0.700 0.000 1.229 739 K HN 0.201 nan 8.250 nan 0.000 0.572 740 D N 2.747 122.645 120.400 -0.836 0.000 3.008 740 D HA 0.001 4.641 4.640 0.000 0.000 0.242 740 D C -0.378 175.632 176.300 -0.483 0.000 1.222 740 D CA 0.018 53.360 54.000 -1.097 0.000 0.883 740 D CB -0.414 40.074 40.800 -0.520 0.000 1.110 740 D HN 0.542 nan 8.370 nan 0.000 0.455 741 H N -2.954 115.919 119.070 -0.329 0.000 2.895 741 H HA 0.784 5.340 4.556 0.000 0.000 0.373 741 H C 0.466 175.824 175.328 0.049 0.000 1.174 741 H CA -0.694 55.365 56.048 0.018 0.000 1.144 741 H CB 1.814 31.602 29.762 0.043 0.000 1.793 741 H HN 0.217 nan 8.280 nan 0.000 0.551 742 G N 0.693 109.672 108.800 0.299 0.000 2.373 742 G HA2 0.027 3.988 3.960 0.000 0.000 0.634 742 G HA3 0.027 3.988 3.960 0.000 0.000 0.634 742 G C -1.477 173.542 174.900 0.198 0.000 1.267 742 G CA -0.974 44.235 45.100 0.182 0.000 1.008 742 G HN 0.729 nan 8.290 nan 0.000 0.497 743 K N -0.325 120.167 120.400 0.152 0.000 2.123 743 K HA 0.493 4.814 4.320 0.000 0.000 0.248 743 K C 0.481 177.151 176.600 0.117 0.000 0.969 743 K CA -0.753 55.579 56.287 0.076 0.000 0.882 743 K CB 1.346 33.853 32.500 0.013 0.000 1.080 743 K HN 0.369 nan 8.250 nan 0.000 0.441 744 D N 0.279 120.648 120.400 -0.052 0.000 2.117 744 D HA -0.100 4.540 4.640 0.000 0.000 0.197 744 D C 0.046 176.435 176.300 0.148 0.000 0.987 744 D CA 1.776 55.781 54.000 0.008 0.000 0.829 744 D CB 0.005 40.746 40.800 -0.097 0.000 0.961 744 D HN 0.487 nan 8.370 nan 0.000 0.460 745 Y N -3.558 116.725 120.300 -0.028 0.000 2.732 745 Y HA 0.445 4.996 4.550 0.000 0.000 0.342 745 Y C -0.252 175.306 175.900 -0.571 0.000 1.203 745 Y CA -0.931 57.052 58.100 -0.194 0.000 1.092 745 Y CB 0.808 39.144 38.460 -0.207 0.000 1.345 745 Y HN -0.248 nan 8.280 nan 0.000 0.458 746 Q N -0.209 119.257 119.800 -0.556 0.000 1.842 746 Q HA 0.248 4.588 4.340 0.000 0.000 0.180 746 Q C -1.135 174.787 176.000 -0.129 0.000 0.751 746 Q CA -0.099 55.422 55.803 -0.469 0.000 0.861 746 Q CB 0.644 28.732 28.738 -1.084 0.000 1.223 746 Q HN 0.796 nan 8.270 nan 0.000 0.401 747 E N 0.778 120.852 120.200 -0.210 0.000 2.413 747 E HA -0.009 4.341 4.350 0.000 0.000 0.263 747 E C 0.832 177.242 176.600 -0.315 0.000 1.015 747 E CA 0.177 56.399 56.400 -0.295 0.000 0.916 747 E CB 0.625 29.835 29.700 -0.816 0.000 0.947 747 E HN 0.273 nan 8.360 nan 0.000 0.440 748 L N 1.985 123.123 121.223 -0.142 0.000 2.131 748 L HA -0.202 4.138 4.340 0.000 0.000 0.210 748 L C 1.894 178.659 176.870 -0.174 0.000 1.092 748 L CA 1.186 55.976 54.840 -0.083 0.000 0.759 748 L CB -0.698 41.264 42.059 -0.162 0.000 0.903 748 L HN 0.740 nan 8.230 nan 0.000 0.435 749 Y N -2.814 117.199 120.300 -0.480 0.000 2.561 749 Y HA 0.058 4.608 4.550 0.000 0.000 0.291 749 Y C 2.160 177.949 175.900 -0.186 0.000 1.141 749 Y CA 0.106 58.054 58.100 -0.254 0.000 1.303 749 Y CB -0.470 37.751 38.460 -0.397 0.000 1.015 749 Y HN 0.023 nan 8.280 nan 0.000 0.547 750 M N 0.101 119.272 119.600 -0.715 0.000 2.628 750 M HA 0.063 4.543 4.480 0.000 0.000 0.232 750 M C -0.993 174.909 176.300 -0.663 0.000 1.128 750 M CA 0.353 55.197 55.300 -0.760 0.000 1.040 750 M CB -1.135 30.773 32.600 -1.155 0.000 1.608 750 M HN 0.365 nan 8.290 nan 0.000 0.507 751 Y N 0.531 120.755 120.300 -0.128 0.000 2.915 751 Y HA 0.276 4.826 4.550 0.000 0.000 0.350 751 Y C -1.526 174.392 175.900 0.030 0.000 1.061 751 Y CA -2.036 56.055 58.100 -0.014 0.000 1.179 751 Y CB 0.202 38.675 38.460 0.022 0.000 1.180 751 Y HN 0.092 nan 8.280 nan 0.000 0.605 752 P HA -0.177 nan 4.420 nan 0.000 0.216 752 P C 0.504 177.865 177.300 0.103 0.000 1.150 752 P CA 1.633 64.784 63.100 0.085 0.000 0.837 752 P CB 0.477 32.195 31.700 0.030 0.000 0.786 753 N N -0.517 118.249 118.700 0.110 0.000 2.331 753 N HA -0.108 4.632 4.740 0.000 0.000 0.180 753 N C 0.999 176.569 175.510 0.101 0.000 1.019 753 N CA 0.611 53.717 53.050 0.093 0.000 0.881 753 N CB -0.086 38.454 38.487 0.088 0.000 0.972 753 N HN 0.203 nan 8.380 nan 0.000 0.435 754 E N -0.336 119.948 120.200 0.139 0.000 2.538 754 E HA 0.166 4.516 4.350 0.000 0.000 0.207 754 E C 1.192 177.883 176.600 0.151 0.000 1.002 754 E CA -0.199 56.271 56.400 0.117 0.000 0.952 754 E CB 0.277 30.024 29.700 0.078 0.000 1.031 754 E HN 0.251 nan 8.360 nan 0.000 0.476 755 M N 0.675 120.385 119.600 0.183 0.000 2.086 755 M HA -0.204 4.276 4.480 0.000 0.000 0.261 755 M C 0.661 177.039 176.300 0.130 0.000 1.067 755 M CA 1.684 57.129 55.300 0.242 0.000 1.116 755 M CB 0.112 32.855 32.600 0.238 0.000 1.348 755 M HN 0.037 nan 8.290 nan 0.000 0.407 756 D N -0.277 120.161 120.400 0.063 0.000 2.123 756 D HA -0.145 4.495 4.640 0.000 0.000 0.196 756 D C 1.839 178.163 176.300 0.040 0.000 0.992 756 D CA 1.818 55.823 54.000 0.008 0.000 0.833 756 D CB -0.559 40.242 40.800 0.003 0.000 0.954 756 D HN 0.360 nan 8.370 nan 0.000 0.455 757 T N 0.803 115.413 114.554 0.093 0.000 2.708 757 T HA -0.051 4.299 4.350 0.000 0.000 0.266 757 T C 2.187 177.038 174.700 0.251 0.000 1.037 757 T CA 0.545 62.745 62.100 0.167 0.000 1.146 757 T CB -0.273 68.675 68.868 0.134 0.000 0.865 757 T HN 0.106 nan 8.240 nan 0.000 0.435 758 L N 0.410 121.760 121.223 0.212 0.000 2.046 758 L HA -0.076 4.264 4.340 0.000 0.000 0.208 758 L C 2.857 179.930 176.870 0.338 0.000 1.077 758 L CA 1.392 56.403 54.840 0.285 0.000 0.747 758 L CB -0.466 41.793 42.059 0.333 0.000 0.896 758 L HN 0.161 nan 8.230 nan 0.000 0.432 759 R N 1.200 121.772 120.500 0.121 0.000 2.073 759 R HA -0.199 4.141 4.340 0.000 0.000 0.234 759 R C 2.399 178.666 176.300 -0.055 0.000 1.134 759 R CA 1.849 57.794 56.100 -0.258 0.000 0.952 759 R CB -0.103 29.755 30.300 -0.736 0.000 0.850 759 R HN 0.398 nan 8.270 nan 0.000 0.433 760 K N -1.000 119.391 120.400 -0.015 0.000 2.211 760 K HA -0.121 4.199 4.320 0.000 0.000 0.203 760 K C 1.662 178.224 176.600 -0.062 0.000 1.050 760 K CA 1.338 57.589 56.287 -0.060 0.000 0.945 760 K CB -0.258 32.167 32.500 -0.126 0.000 0.732 760 K HN 0.142 nan 8.250 nan 0.000 0.451 761 F N 1.582 121.558 119.950 0.043 0.000 2.259 761 F HA -0.070 4.457 4.527 0.000 0.000 0.298 761 F C 2.203 178.105 175.800 0.171 0.000 1.088 761 F CA 0.655 58.713 58.000 0.097 0.000 1.358 761 F CB 0.032 39.072 39.000 0.066 0.000 1.040 761 F HN -0.217 nan 8.300 nan 0.000 0.505 762 V N -0.311 119.789 119.914 0.309 0.000 2.358 762 V HA -0.251 3.869 4.120 0.000 0.000 0.246 762 V C 2.058 178.271 176.094 0.199 0.000 1.047 762 V CA 1.820 64.285 62.300 0.274 0.000 1.035 762 V CB -0.614 31.332 31.823 0.205 0.000 0.658 762 V HN 0.287 nan 8.190 nan 0.000 0.452 763 E N -0.378 119.882 120.200 0.100 0.000 2.058 763 E HA -0.251 4.099 4.350 0.000 0.000 0.194 763 E C 2.032 178.713 176.600 0.134 0.000 0.997 763 E CA 1.670 58.116 56.400 0.078 0.000 0.801 763 E CB -0.268 29.447 29.700 0.026 0.000 0.746 763 E HN 0.583 nan 8.360 nan 0.000 0.450 764 F N 1.923 121.822 119.950 -0.086 0.000 2.095 764 F HA -0.224 4.303 4.527 0.000 0.000 0.298 764 F C 2.425 178.167 175.800 -0.097 0.000 1.104 764 F CA 1.818 59.695 58.000 -0.205 0.000 1.232 764 F CB -0.159 38.622 39.000 -0.365 0.000 0.987 764 F HN -0.196 nan 8.300 nan 0.000 0.475 765 R N -1.155 119.377 120.500 0.054 0.000 2.083 765 R HA -0.246 4.094 4.340 0.000 0.000 0.237 765 R C 2.273 178.629 176.300 0.094 0.000 1.137 765 R CA 2.090 58.214 56.100 0.040 0.000 0.951 765 R CB -0.886 29.503 30.300 0.149 0.000 0.851 765 R HN 0.346 nan 8.270 nan 0.000 0.434 766 Y N 0.543 120.838 120.300 -0.008 0.000 2.293 766 Y HA -0.077 4.473 4.550 0.000 0.000 0.291 766 Y C 2.417 178.272 175.900 -0.075 0.000 1.137 766 Y CA 1.325 59.423 58.100 -0.003 0.000 1.202 766 Y CB -0.115 38.397 38.460 0.086 0.000 0.990 766 Y HN 0.054 nan 8.280 nan 0.000 0.537 767 R N -1.848 118.657 120.500 0.009 0.000 2.152 767 R HA -0.180 4.161 4.340 0.000 0.000 0.232 767 R C 0.644 176.927 176.300 -0.028 0.000 1.117 767 R CA 1.085 57.105 56.100 -0.134 0.000 0.981 767 R CB -0.279 29.868 30.300 -0.255 0.000 0.870 767 R HN 0.294 nan 8.270 nan 0.000 0.451 768 W N 2.180 123.330 121.300 -0.250 0.000 3.151 768 W HA 0.109 4.770 4.660 0.000 0.000 0.424 768 W C 1.348 177.718 176.519 -0.248 0.000 1.012 768 W CA -0.696 56.496 57.345 -0.255 0.000 2.018 768 W CB -0.314 28.947 29.460 -0.332 0.000 1.087 768 W HN 0.239 nan 8.180 nan 0.000 0.740 769 Q N -0.346 119.406 119.800 -0.080 0.000 2.181 769 Q HA -0.212 4.128 4.340 0.000 0.000 0.205 769 Q C 1.037 176.913 176.000 -0.207 0.000 0.980 769 Q CA 1.530 57.202 55.803 -0.218 0.000 0.862 769 Q CB -0.216 28.306 28.738 -0.360 0.000 0.905 769 Q HN 0.069 nan 8.270 nan 0.000 0.429 770 E N 0.800 120.919 120.200 -0.136 0.000 2.216 770 E HA -0.023 4.328 4.350 0.000 0.000 0.192 770 E C 2.258 178.796 176.600 -0.103 0.000 0.988 770 E CA 0.687 57.040 56.400 -0.077 0.000 0.834 770 E CB -0.039 29.615 29.700 -0.076 0.000 0.772 770 E HN 0.251 nan 8.360 nan 0.000 0.479 771 V N 1.526 121.335 119.914 -0.175 0.000 2.343 771 V HA -0.231 3.889 4.120 0.000 0.000 0.247 771 V C 2.411 178.351 176.094 -0.258 0.000 1.051 771 V CA 1.380 63.524 62.300 -0.260 0.000 1.036 771 V CB -0.481 31.057 31.823 -0.475 0.000 0.654 771 V HN 0.191 nan 8.190 nan 0.000 0.451 772 L N -1.885 119.144 121.223 -0.323 0.000 2.072 772 L HA -0.132 4.208 4.340 0.000 0.000 0.205 772 L C 2.496 178.958 176.870 -0.681 0.000 1.079 772 L CA 1.568 56.072 54.840 -0.561 0.000 0.752 772 L CB -0.667 40.907 42.059 -0.808 0.000 0.906 772 L HN 0.298 nan 8.230 nan 0.000 0.436 773 Y N 1.028 120.923 120.300 -0.674 0.000 2.181 773 Y HA -0.247 4.303 4.550 0.000 0.000 0.288 773 Y C 2.739 178.499 175.900 -0.234 0.000 1.146 773 Y CA 1.811 59.655 58.100 -0.425 0.000 1.164 773 Y CB -0.579 37.760 38.460 -0.201 0.000 0.982 773 Y HN 0.072 nan 8.280 nan 0.000 0.515 774 T N 0.108 114.616 114.554 -0.077 0.000 2.821 774 T HA -0.133 4.217 4.350 0.000 0.000 0.267 774 T C 2.120 176.784 174.700 -0.060 0.000 1.046 774 T CA 1.199 63.282 62.100 -0.029 0.000 1.139 774 T CB -0.612 68.284 68.868 0.047 0.000 0.871 774 T HN 0.428 nan 8.240 nan 0.000 0.454 775 A N 1.261 123.999 122.820 -0.137 0.000 1.933 775 A HA -0.063 4.257 4.320 0.000 0.000 0.218 775 A C 2.211 179.693 177.584 -0.171 0.000 1.175 775 A CA 1.704 53.659 52.037 -0.137 0.000 0.628 775 A CB -0.616 18.289 19.000 -0.159 0.000 0.814 775 A HN 0.412 nan 8.150 nan 0.000 0.444 776 M N -1.462 118.012 119.600 -0.210 0.000 2.159 776 M HA -0.112 4.368 4.480 0.000 0.000 0.263 776 M C 1.933 178.023 176.300 -0.350 0.000 1.063 776 M CA 1.822 57.005 55.300 -0.195 0.000 1.110 776 M CB -0.812 31.764 32.600 -0.039 0.000 1.374 776 M HN 0.554 nan 8.290 nan 0.000 0.411 777 Y N 0.619 120.568 120.300 -0.585 0.000 2.181 777 Y HA -0.255 4.295 4.550 0.000 0.000 0.288 777 Y C 2.006 177.596 175.900 -0.517 0.000 1.146 777 Y CA 2.244 59.895 58.100 -0.748 0.000 1.164 777 Y CB -0.645 37.237 38.460 -0.962 0.000 0.982 777 Y HN 0.415 nan 8.280 nan 0.000 0.515 778 Q N 0.058 119.547 119.800 -0.519 0.000 2.226 778 Q HA -0.207 4.133 4.340 0.000 0.000 0.204 778 Q C 2.121 177.893 176.000 -0.379 0.000 0.975 778 Q CA 1.300 56.866 55.803 -0.395 0.000 0.866 778 Q CB -0.295 28.440 28.738 -0.006 0.000 0.915 778 Q HN 0.583 nan 8.270 nan 0.000 0.440 779 N N 0.284 118.769 118.700 -0.358 0.000 2.173 779 N HA -0.088 4.652 4.740 0.000 0.000 0.184 779 N C 1.676 176.948 175.510 -0.395 0.000 1.025 779 N CA 1.168 54.041 53.050 -0.297 0.000 0.852 779 N CB 0.066 38.419 38.487 -0.224 0.000 0.998 779 N HN 0.188 nan 8.380 nan 0.000 0.427 780 A N 0.783 123.309 122.820 -0.491 0.000 1.933 780 A HA 0.072 4.392 4.320 0.000 0.000 0.218 780 A C 2.306 179.550 177.584 -0.566 0.000 1.175 780 A CA 1.790 53.538 52.037 -0.480 0.000 0.628 780 A CB -0.650 18.069 19.000 -0.468 0.000 0.814 780 A HN 0.471 nan 8.150 nan 0.000 0.444 781 A N -1.417 120.855 122.820 -0.913 0.000 1.861 781 A HA 0.294 4.614 4.320 0.000 0.000 0.212 781 A C 1.493 178.574 177.584 -0.838 0.000 1.199 781 A CA 1.396 52.747 52.037 -1.143 0.000 0.613 781 A CB -0.320 17.374 19.000 -2.177 0.000 0.846 781 A HN 0.505 nan 8.150 nan 0.000 0.446 782 F N -1.696 118.078 119.950 -0.293 0.000 2.746 782 F HA 0.431 4.958 4.527 0.000 0.000 0.320 782 F C 1.642 177.360 175.800 -0.138 0.000 1.097 782 F CA -0.232 57.665 58.000 -0.170 0.000 1.195 782 F CB -0.065 38.846 39.000 -0.149 0.000 1.056 782 F HN 0.347 nan 8.300 nan 0.000 0.562 783 G N 1.135 109.887 108.800 -0.079 0.000 2.148 783 G HA2 -0.322 3.638 3.960 0.000 0.000 0.254 783 G HA3 -0.322 3.638 3.960 0.000 0.000 0.254 783 G C 0.275 175.146 174.900 -0.050 0.000 0.981 783 G CA -0.165 44.881 45.100 -0.091 0.000 0.670 783 G HN 0.347 nan 8.290 nan 0.000 0.528 784 K N 1.729 122.116 120.400 -0.022 0.000 2.368 784 K HA 0.349 4.669 4.320 0.000 0.000 0.282 784 K C -2.012 174.551 176.600 -0.061 0.000 1.035 784 K CA -1.296 54.982 56.287 -0.014 0.000 0.973 784 K CB 0.959 33.465 32.500 0.011 0.000 0.957 784 K HN 0.149 nan 8.250 nan 0.000 0.474 785 P HA -0.015 nan 4.420 nan 0.000 0.268 785 P C 0.432 177.682 177.300 -0.083 0.000 1.205 785 P CA 0.167 63.229 63.100 -0.062 0.000 0.771 785 P CB 0.632 32.312 31.700 -0.033 0.000 0.858 786 I N 2.219 122.747 120.570 -0.070 0.000 2.113 786 I HA -0.133 4.037 4.170 0.000 0.000 0.238 786 I C 1.210 177.287 176.117 -0.066 0.000 1.070 786 I CA 1.342 62.602 61.300 -0.068 0.000 1.332 786 I CB -0.249 37.737 38.000 -0.023 0.000 1.044 786 I HN 0.229 nan 8.210 nan 0.000 0.402 787 I N 2.635 123.180 120.570 -0.042 0.000 2.325 787 I HA 0.157 4.328 4.170 0.000 0.000 0.291 787 I C -0.090 176.008 176.117 -0.032 0.000 1.019 787 I CA -0.327 60.959 61.300 -0.023 0.000 1.302 787 I CB 0.764 38.717 38.000 -0.078 0.000 1.401 787 I HN 0.094 nan 8.210 nan 0.000 0.485 788 K N 5.316 125.701 120.400 -0.025 0.000 2.211 788 K HA 0.567 4.887 4.320 0.000 0.000 0.275 788 K C -0.090 176.569 176.600 0.097 0.000 1.024 788 K CA -0.553 55.712 56.287 -0.037 0.000 0.887 788 K CB 1.876 34.224 32.500 -0.254 0.000 1.084 788 K HN 0.660 nan 8.250 nan 0.000 0.463 789 A N 2.023 124.893 122.820 0.082 0.000 2.498 789 A HA 0.285 4.605 4.320 0.000 0.000 0.239 789 A C 1.433 179.103 177.584 0.144 0.000 1.068 789 A CA 0.565 52.666 52.037 0.106 0.000 0.766 789 A CB 0.177 19.187 19.000 0.017 0.000 1.003 789 A HN 0.847 nan 8.150 nan 0.000 0.497 790 A N 1.838 124.760 122.820 0.170 0.000 1.978 790 A HA -0.114 4.206 4.320 0.000 0.000 0.220 790 A C 2.266 179.939 177.584 0.150 0.000 1.170 790 A CA 2.345 54.486 52.037 0.173 0.000 0.636 790 A CB -0.995 18.084 19.000 0.132 0.000 0.810 790 A HN 1.744 nan 8.150 nan 0.000 0.448 791 S N -0.924 114.807 115.700 0.053 0.000 2.555 791 S HA 0.019 4.490 4.470 0.000 0.000 0.230 791 S C 1.601 176.191 174.600 -0.017 0.000 0.978 791 S CA 1.103 59.289 58.200 -0.023 0.000 0.934 791 S CB -0.545 62.544 63.200 -0.186 0.000 0.766 791 S HN 0.542 nan 8.310 nan 0.000 0.533 792 M N 0.084 119.728 119.600 0.075 0.000 2.562 792 M HA 0.158 4.638 4.480 0.000 0.000 0.257 792 M C 0.215 176.636 176.300 0.201 0.000 1.099 792 M CA 0.508 55.895 55.300 0.145 0.000 1.099 792 M CB -0.177 32.565 32.600 0.237 0.000 1.427 792 M HN 0.404 nan 8.290 nan 0.000 0.489 793 Y N 2.651 123.022 120.300 0.118 0.000 2.539 793 Y HA 0.144 4.694 4.550 0.000 0.000 0.352 793 Y C 0.048 175.931 175.900 -0.029 0.000 1.004 793 Y CA -0.977 57.144 58.100 0.035 0.000 1.278 793 Y CB 0.121 38.665 38.460 0.140 0.000 1.136 793 Y HN 0.089 nan 8.280 nan 0.000 0.528 794 N N 4.446 123.038 118.700 -0.181 0.000 2.444 794 N HA 0.011 4.751 4.740 0.000 0.000 0.255 794 N C -0.241 175.259 175.510 -0.015 0.000 1.255 794 N CA 0.320 53.307 53.050 -0.105 0.000 0.933 794 N CB 0.319 38.695 38.487 -0.185 0.000 1.143 794 N HN 0.811 nan 8.380 nan 0.000 0.453 795 N N -0.787 117.918 118.700 0.009 0.000 2.747 795 N HA -0.192 4.548 4.740 0.000 0.000 0.249 795 N C -1.508 174.064 175.510 0.104 0.000 1.107 795 N CA 0.562 53.634 53.050 0.037 0.000 0.707 795 N CB -0.656 37.834 38.487 0.006 0.000 1.054 795 N HN 0.526 nan 8.380 nan 0.000 0.555 796 D N -0.209 120.266 120.400 0.126 0.000 2.575 796 D HA 0.241 4.881 4.640 0.000 0.000 0.250 796 D C 0.358 176.683 176.300 0.042 0.000 1.279 796 D CA -0.369 53.713 54.000 0.135 0.000 0.925 796 D CB 0.943 41.888 40.800 0.242 0.000 1.261 796 D HN 0.140 nan 8.370 nan 0.000 0.567 797 S N 2.274 117.974 115.700 0.000 0.000 2.631 797 S HA 0.077 4.547 4.470 0.000 0.000 0.217 797 S C 0.783 175.307 174.600 -0.127 0.000 0.958 797 S CA -0.021 58.151 58.200 -0.047 0.000 0.920 797 S CB -0.147 63.033 63.200 -0.033 0.000 0.776 797 S HN 0.433 nan 8.310 nan 0.000 0.517 798 N N 0.741 119.304 118.700 -0.228 0.000 2.273 798 N HA 0.120 4.860 4.740 0.000 0.000 0.192 798 N C 1.503 176.672 175.510 -0.569 0.000 1.132 798 N CA 0.598 53.347 53.050 -0.502 0.000 0.887 798 N CB 0.616 38.561 38.487 -0.904 0.000 1.048 798 N HN 0.341 nan 8.380 nan 0.000 0.490 799 V N -0.131 119.598 119.914 -0.308 0.000 2.594 799 V HA -0.171 3.949 4.120 0.000 0.000 0.253 799 V C 2.204 178.231 176.094 -0.112 0.000 1.069 799 V CA 1.435 63.642 62.300 -0.155 0.000 1.082 799 V CB -0.632 31.204 31.823 0.022 0.000 0.680 799 V HN 0.217 nan 8.190 nan 0.000 0.469 800 R N 0.740 121.187 120.500 -0.087 0.000 2.091 800 R HA -0.190 4.150 4.340 0.000 0.000 0.238 800 R C 2.658 178.928 176.300 -0.051 0.000 1.136 800 R CA 1.986 58.074 56.100 -0.019 0.000 0.959 800 R CB -0.375 29.922 30.300 -0.004 0.000 0.856 800 R HN 0.576 nan 8.270 nan 0.000 0.437 801 R N -0.275 120.146 120.500 -0.132 0.000 2.120 801 R HA -0.072 4.268 4.340 0.000 0.000 0.234 801 R C 1.516 177.736 176.300 -0.133 0.000 1.123 801 R CA 1.524 57.544 56.100 -0.132 0.000 0.975 801 R CB -0.113 30.078 30.300 -0.182 0.000 0.866 801 R HN 0.295 nan 8.270 nan 0.000 0.446 802 A N 0.984 123.673 122.820 -0.218 0.000 2.275 802 A HA -0.026 4.294 4.320 0.000 0.000 0.212 802 A C 1.683 179.215 177.584 -0.085 0.000 1.201 802 A CA 0.040 51.893 52.037 -0.306 0.000 0.843 802 A CB -0.089 18.497 19.000 -0.690 0.000 0.873 802 A HN 0.596 nan 8.150 nan 0.000 0.492 803 Q N -0.098 119.711 119.800 0.016 0.000 2.488 803 Q HA -0.094 4.246 4.340 0.000 0.000 0.211 803 Q C 0.535 176.643 176.000 0.180 0.000 0.967 803 Q CA 1.039 56.917 55.803 0.125 0.000 0.926 803 Q CB -0.345 28.482 28.738 0.148 0.000 0.992 803 Q HN 0.475 nan 8.270 nan 0.000 0.506 804 N N 1.923 120.722 118.700 0.164 0.000 2.331 804 N HA -0.088 4.652 4.740 0.000 0.000 0.180 804 N C 0.130 175.771 175.510 0.219 0.000 1.019 804 N CA 1.649 54.805 53.050 0.177 0.000 0.881 804 N CB 0.231 38.812 38.487 0.157 0.000 0.972 804 N HN 0.657 nan 8.380 nan 0.000 0.435 805 D N -2.720 117.854 120.400 0.290 0.000 2.523 805 D HA 0.058 4.698 4.640 0.000 0.000 0.269 805 D C -0.499 175.986 176.300 0.308 0.000 1.374 805 D CA -0.252 53.930 54.000 0.305 0.000 0.820 805 D CB -0.723 40.205 40.800 0.213 0.000 1.211 805 D HN 0.015 nan 8.370 nan 0.000 0.502 806 H N 0.431 119.585 119.070 0.139 0.000 2.459 806 H HA 0.680 5.236 4.556 0.000 0.000 0.332 806 H C -0.562 174.850 175.328 0.141 0.000 1.094 806 H CA -0.730 55.328 56.048 0.016 0.000 1.224 806 H CB 0.858 30.603 29.762 -0.028 0.000 1.449 806 H HN 0.105 nan 8.280 nan 0.000 0.484 807 F N 0.394 120.410 119.950 0.109 0.000 2.685 807 F HA 0.729 5.256 4.527 0.000 0.000 0.315 807 F C -2.091 173.746 175.800 0.062 0.000 1.126 807 F CA -1.313 56.738 58.000 0.085 0.000 0.950 807 F CB 0.926 39.969 39.000 0.071 0.000 1.360 807 F HN 0.211 nan 8.300 nan 0.000 0.469 808 L N 2.062 123.439 121.223 0.256 0.000 2.309 808 L HA 0.917 5.257 4.340 0.000 0.000 0.261 808 L C -0.815 176.104 176.870 0.082 0.000 1.021 808 L CA -0.883 54.034 54.840 0.128 0.000 0.823 808 L CB 2.217 44.371 42.059 0.160 0.000 1.366 808 L HN 0.930 nan 8.230 nan 0.000 0.423 809 L N -1.592 119.636 121.223 0.007 0.000 2.940 809 L HA 1.001 5.341 4.340 0.000 0.000 0.270 809 L C -0.341 176.458 176.870 -0.118 0.000 1.030 809 L CA -0.444 54.357 54.840 -0.065 0.000 0.928 809 L CB 1.679 43.754 42.059 0.026 0.000 1.506 809 L HN 0.922 nan 8.230 nan 0.000 0.405 810 G N -0.855 107.849 108.800 -0.159 0.000 2.733 810 G HA2 0.498 4.459 3.960 0.000 0.000 0.686 810 G HA3 0.498 4.459 3.960 0.000 0.000 0.686 810 G C 0.303 175.101 174.900 -0.170 0.000 1.373 810 G CA -0.027 44.948 45.100 -0.208 0.000 0.838 810 G HN 3.066 nan 8.290 nan 0.000 0.588 811 G N 0.359 109.066 108.800 -0.156 0.000 2.728 811 G HA2 0.226 4.186 3.960 0.000 0.000 0.294 811 G HA3 0.226 4.186 3.960 0.000 0.000 0.294 811 G C 0.856 175.765 174.900 0.016 0.000 1.342 811 G CA 0.917 45.986 45.100 -0.051 0.000 0.866 811 G HN 2.675 nan 8.290 nan 0.000 0.534 812 H N 0.047 119.107 119.070 -0.017 0.000 2.456 812 H HA -0.049 4.507 4.556 0.000 0.000 0.296 812 H C 1.553 176.896 175.328 0.024 0.000 1.079 812 H CA 2.299 58.354 56.048 0.011 0.000 1.322 812 H CB -0.074 29.684 29.762 -0.005 0.000 1.388 812 H HN 0.655 nan 8.280 nan 0.000 0.538 813 D N -1.326 118.717 120.400 -0.594 0.000 2.449 813 D HA 0.132 4.772 4.640 0.000 0.000 0.210 813 D C 1.619 177.901 176.300 -0.029 0.000 1.094 813 D CA 0.616 54.406 54.000 -0.350 0.000 0.846 813 D CB -0.131 40.365 40.800 -0.506 0.000 1.003 813 D HN 0.519 nan 8.370 nan 0.000 0.504 814 G N 0.067 108.816 108.800 -0.086 0.000 2.141 814 G HA2 -0.304 3.656 3.960 0.000 0.000 0.242 814 G HA3 -0.304 3.656 3.960 0.000 0.000 0.242 814 G C -0.026 174.695 174.900 -0.298 0.000 0.982 814 G CA 0.306 45.307 45.100 -0.166 0.000 0.662 814 G HN 0.408 nan 8.290 nan 0.000 0.527 815 Y N -0.594 119.667 120.300 -0.065 0.000 2.698 815 Y HA 0.405 4.955 4.550 0.000 0.000 0.261 815 Y C 1.876 177.822 175.900 0.077 0.000 1.104 815 Y CA -0.708 57.421 58.100 0.049 0.000 1.145 815 Y CB 0.580 39.069 38.460 0.049 0.000 1.191 815 Y HN 0.085 nan 8.280 nan 0.000 0.564 816 R N 0.310 120.863 120.500 0.087 0.000 2.254 816 R HA 0.315 4.656 4.340 0.000 0.000 0.195 816 R C -0.126 176.221 176.300 0.078 0.000 0.957 816 R CA 0.520 56.633 56.100 0.022 0.000 1.024 816 R CB 0.564 30.805 30.300 -0.097 0.000 0.952 816 R HN 0.318 nan 8.270 nan 0.000 0.484 817 I N 1.307 121.941 120.570 0.107 0.000 2.465 817 I HA 0.261 4.431 4.170 0.000 0.000 0.291 817 I C -0.936 175.287 176.117 0.176 0.000 1.014 817 I CA -1.159 60.225 61.300 0.139 0.000 1.093 817 I CB 2.272 40.249 38.000 -0.037 0.000 1.267 817 I HN -0.220 nan 8.210 nan 0.000 0.431 818 L N 7.107 128.410 121.223 0.134 0.000 2.313 818 L HA 0.634 4.974 4.340 0.000 0.000 0.283 818 L C -0.939 175.841 176.870 -0.150 0.000 1.013 818 L CA 0.111 54.863 54.840 -0.148 0.000 0.816 818 L CB 1.145 42.814 42.059 -0.649 0.000 1.236 818 L HN 0.681 nan 8.230 nan 0.000 0.419 819 C N 4.086 123.120 119.300 -0.443 0.000 2.417 819 C HA 0.881 5.341 4.460 0.000 0.000 0.324 819 C C 0.486 175.066 174.990 -0.682 0.000 1.240 819 C CA -0.624 58.049 59.018 -0.575 0.000 1.632 819 C CB 0.794 28.007 27.740 -0.879 0.000 2.241 819 C HN 0.936 nan 8.230 nan 0.000 0.499 820 A N 3.874 126.430 122.820 -0.439 0.000 3.370 820 A HA 0.538 4.858 4.320 0.000 0.000 0.295 820 A C -2.688 174.774 177.584 -0.204 0.000 1.030 820 A CA -0.824 50.907 52.037 -0.510 0.000 0.883 820 A CB 0.016 18.487 19.000 -0.883 0.000 1.191 820 A HN 0.696 nan 8.150 nan 0.000 0.507 821 P HA 0.135 nan 4.420 nan 0.000 0.269 821 P C 0.202 177.507 177.300 0.009 0.000 1.209 821 P CA 0.308 63.401 63.100 -0.010 0.000 0.776 821 P CB 1.117 32.854 31.700 0.062 0.000 0.876 822 V N 3.807 123.732 119.914 0.018 0.000 2.521 822 V HA -0.027 4.093 4.120 0.000 0.000 0.286 822 V C 1.566 177.658 176.094 -0.003 0.000 1.034 822 V CA 0.391 62.723 62.300 0.053 0.000 1.045 822 V CB 0.847 32.715 31.823 0.075 0.000 0.974 822 V HN 0.484 nan 8.190 nan 0.000 0.480 823 V N 1.415 121.302 119.914 -0.045 0.000 3.121 823 V HA 0.443 4.563 4.120 0.000 0.000 0.344 823 V C -0.320 175.464 176.094 -0.517 0.000 1.390 823 V CA -0.443 61.692 62.300 -0.276 0.000 1.177 823 V CB -0.724 30.903 31.823 -0.328 0.000 1.163 823 V HN 0.714 nan 8.190 nan 0.000 0.484 824 W N -0.159 121.153 121.300 0.020 0.000 2.915 824 W HA 0.612 5.272 4.660 0.001 0.000 0.337 824 W C 0.171 176.695 176.519 0.009 0.000 1.102 824 W CA -0.604 56.754 57.345 0.022 0.000 1.224 824 W CB 1.481 30.965 29.460 0.041 0.000 1.416 824 W HN 0.003 nan 8.180 nan 0.000 0.503 825 E N 1.280 121.643 120.200 0.270 0.000 2.390 825 E HA 0.054 4.404 4.350 0.000 0.000 0.261 825 E C 0.097 176.787 176.600 0.151 0.000 1.076 825 E CA 0.207 56.700 56.400 0.155 0.000 0.905 825 E CB 0.216 29.987 29.700 0.118 0.000 0.984 825 E HN 0.664 nan 8.360 nan 0.000 0.427 826 N N 0.725 119.483 118.700 0.098 0.000 2.727 826 N HA -0.230 4.510 4.740 0.000 0.000 0.249 826 N C -1.474 174.082 175.510 0.077 0.000 1.048 826 N CA 0.586 53.681 53.050 0.076 0.000 0.714 826 N CB -0.680 37.847 38.487 0.067 0.000 0.959 826 N HN 0.199 nan 8.380 nan 0.000 0.544 827 S N -0.527 115.229 115.700 0.094 0.000 2.557 827 S HA 0.583 5.053 4.470 0.000 0.000 0.291 827 S C 0.371 175.018 174.600 0.079 0.000 1.116 827 S CA -0.185 58.073 58.200 0.097 0.000 0.992 827 S CB 1.401 64.700 63.200 0.164 0.000 1.028 827 S HN 0.270 nan 8.310 nan 0.000 0.484 828 T N 0.679 115.270 114.554 0.062 0.000 3.380 828 T HA 0.456 4.806 4.350 0.000 0.000 0.289 828 T C -0.274 174.452 174.700 0.043 0.000 1.012 828 T CA -0.473 61.653 62.100 0.043 0.000 0.944 828 T CB -0.626 68.257 68.868 0.025 0.000 1.172 828 T HN 0.787 nan 8.240 nan 0.000 0.502 829 E N 0.317 120.563 120.200 0.078 0.000 2.401 829 E HA 0.669 5.019 4.350 0.000 0.000 0.280 829 E C -1.346 175.348 176.600 0.157 0.000 1.039 829 E CA -1.432 55.027 56.400 0.099 0.000 0.814 829 E CB 1.599 31.352 29.700 0.087 0.000 1.275 829 E HN 0.344 nan 8.360 nan 0.000 0.448 830 R N 0.061 120.687 120.500 0.210 0.000 2.710 830 R HA 0.409 4.750 4.340 0.000 0.000 0.270 830 R C -1.434 175.013 176.300 0.245 0.000 1.021 830 R CA -1.049 55.189 56.100 0.231 0.000 0.889 830 R CB 1.280 31.715 30.300 0.225 0.000 1.243 830 R HN 0.598 nan 8.270 nan 0.000 0.464 831 E N 1.824 122.156 120.200 0.219 0.000 2.223 831 E HA 0.272 4.623 4.350 0.000 0.000 0.282 831 E C -1.255 175.428 176.600 0.138 0.000 1.046 831 E CA -0.704 55.789 56.400 0.155 0.000 0.857 831 E CB 0.857 30.647 29.700 0.149 0.000 1.055 831 E HN 0.488 nan 8.360 nan 0.000 0.409 832 L N 6.082 127.322 121.223 0.030 0.000 2.329 832 L HA 0.428 4.768 4.340 0.000 0.000 0.279 832 L C -1.784 175.044 176.870 -0.071 0.000 1.014 832 L CA -0.736 54.098 54.840 -0.009 0.000 0.814 832 L CB 1.258 43.092 42.059 -0.375 0.000 1.257 832 L HN 0.592 nan 8.230 nan 0.000 0.424 833 Y N 5.212 125.453 120.300 -0.097 0.000 2.350 833 Y HA 0.649 5.199 4.550 0.000 0.000 0.338 833 Y C -1.552 174.114 175.900 -0.390 0.000 0.961 833 Y CA -0.975 56.930 58.100 -0.324 0.000 1.100 833 Y CB 1.395 39.602 38.460 -0.421 0.000 1.179 833 Y HN 0.550 nan 8.280 nan 0.000 0.454 834 L N 9.051 129.427 121.223 -1.411 0.000 2.272 834 L HA 0.489 4.829 4.340 0.000 0.000 0.289 834 L C -2.351 173.745 176.870 -1.291 0.000 1.032 834 L CA -2.169 51.901 54.840 -1.283 0.000 0.810 834 L CB 1.341 42.832 42.059 -0.947 0.000 1.205 834 L HN 0.527 nan 8.230 nan 0.000 0.422 835 P HA -0.056 nan 4.420 nan 0.000 0.265 835 P C -0.200 176.995 177.300 -0.175 0.000 1.187 835 P CA 0.044 62.802 63.100 -0.569 0.000 0.766 835 P CB 0.831 31.894 31.700 -1.061 0.000 0.820 836 V N 5.509 125.402 119.914 -0.035 0.000 3.083 836 V HA 0.157 4.277 4.120 0.000 0.000 0.306 836 V C 1.032 177.229 176.094 0.171 0.000 1.077 836 V CA -0.208 62.146 62.300 0.090 0.000 1.073 836 V CB -0.269 31.634 31.823 0.133 0.000 1.081 836 V HN 0.542 nan 8.190 nan 0.000 0.474 837 L N 2.638 123.914 121.223 0.088 0.000 3.865 837 L HA -0.167 4.173 4.340 0.000 0.000 0.408 837 L C 0.153 177.034 176.870 0.018 0.000 1.209 837 L CA 0.971 55.843 54.840 0.054 0.000 0.940 837 L CB -1.972 40.126 42.059 0.064 0.000 1.971 837 L HN 0.933 nan 8.230 nan 0.000 0.899 838 T N -1.633 112.898 114.554 -0.039 0.000 2.769 838 T HA 0.540 4.890 4.350 0.000 0.000 0.306 838 T C -1.499 172.990 174.700 -0.350 0.000 1.400 838 T CA -0.607 61.364 62.100 -0.215 0.000 1.007 838 T CB 1.987 70.673 68.868 -0.304 0.000 1.392 838 T HN 0.146 nan 8.240 nan 0.000 0.500 839 Q N 0.740 120.252 119.800 -0.479 0.000 2.345 839 Q HA 0.498 4.838 4.340 0.000 0.000 0.268 839 Q C -1.428 174.160 176.000 -0.688 0.000 1.054 839 Q CA -0.419 55.118 55.803 -0.442 0.000 0.835 839 Q CB 2.197 30.770 28.738 -0.275 0.000 1.339 839 Q HN 0.653 nan 8.270 nan 0.000 0.447 840 W N 0.780 121.865 121.300 -0.359 0.000 2.761 840 W HA 0.491 5.151 4.660 0.000 0.000 0.340 840 W C -0.962 175.283 176.519 -0.458 0.000 1.072 840 W CA -0.552 56.619 57.345 -0.290 0.000 1.215 840 W CB 1.234 30.523 29.460 -0.284 0.000 1.420 840 W HN 0.435 nan 8.180 nan 0.000 0.519 841 Y N 1.780 122.307 120.300 0.378 0.000 2.326 841 Y HA 0.260 4.810 4.550 0.000 0.000 0.329 841 Y C 0.391 176.472 175.900 0.303 0.000 0.973 841 Y CA -1.611 56.660 58.100 0.285 0.000 1.162 841 Y CB 1.502 40.090 38.460 0.213 0.000 1.147 841 Y HN 0.220 nan 8.280 nan 0.000 0.456 842 K N 2.927 123.538 120.400 0.352 0.000 2.524 842 K HA 0.118 4.438 4.320 0.000 0.000 0.279 842 K C -1.294 175.039 176.600 -0.446 0.000 0.993 842 K CA 0.659 56.937 56.287 -0.015 0.000 1.030 842 K CB 0.320 32.845 32.500 0.041 0.000 0.891 842 K HN 0.618 nan 8.250 nan 0.000 0.488 843 F N 1.086 120.654 119.950 -0.636 0.000 3.049 843 F HA 0.660 5.187 4.527 0.000 0.000 0.329 843 F C 0.095 175.713 175.800 -0.303 0.000 1.208 843 F CA 0.594 58.279 58.000 -0.526 0.000 0.956 843 F CB 1.657 40.644 39.000 -0.021 0.000 1.469 843 F HN 0.746 nan 8.300 nan 0.000 0.516 844 G N 0.706 109.169 108.800 -0.561 0.000 2.353 844 G HA2 0.071 4.031 3.960 0.000 0.000 0.424 844 G HA3 0.071 4.031 3.960 0.000 0.000 0.424 844 G C -2.793 171.401 174.900 -1.177 0.000 1.320 844 G CA -0.455 44.017 45.100 -1.047 0.000 0.995 844 G HN 0.397 nan 8.290 nan 0.000 0.580 845 P HA -0.022 nan 4.420 nan 0.000 0.217 845 P C 1.119 178.150 177.300 -0.448 0.000 1.148 845 P CA 1.735 64.344 63.100 -0.819 0.000 0.828 845 P CB 0.081 31.204 31.700 -0.962 0.000 0.783 846 D N -1.837 118.311 120.400 -0.419 0.000 2.224 846 D HA -0.065 4.575 4.640 0.000 0.000 0.205 846 D C 1.508 177.565 176.300 -0.406 0.000 0.965 846 D CA 0.883 54.662 54.000 -0.368 0.000 0.852 846 D CB -0.704 39.843 40.800 -0.421 0.000 0.947 846 D HN 0.230 nan 8.370 nan 0.000 0.494 847 F N 0.821 120.498 119.950 -0.456 0.000 2.661 847 F HA -0.036 4.491 4.527 0.000 0.000 0.298 847 F C 1.961 177.625 175.800 -0.227 0.000 1.137 847 F CA 0.343 58.094 58.000 -0.416 0.000 1.454 847 F CB -0.009 38.558 39.000 -0.723 0.000 1.103 847 F HN -0.166 nan 8.300 nan 0.000 0.577 848 D N -0.120 120.250 120.400 -0.050 0.000 2.218 848 D HA -0.147 4.493 4.640 0.000 0.000 0.204 848 D C 1.735 178.133 176.300 0.163 0.000 0.976 848 D CA 1.729 55.827 54.000 0.162 0.000 0.853 848 D CB -0.025 40.899 40.800 0.206 0.000 0.939 848 D HN 0.224 nan 8.370 nan 0.000 0.481 849 T N -3.000 111.581 114.554 0.045 0.000 3.182 849 T HA 0.236 4.587 4.350 0.000 0.000 0.277 849 T C 0.297 174.993 174.700 -0.008 0.000 1.013 849 T CA -0.700 61.423 62.100 0.038 0.000 0.900 849 T CB 0.035 68.901 68.868 -0.003 0.000 1.098 849 T HN 0.244 nan 8.240 nan 0.000 0.543 850 K N -0.556 119.831 120.400 -0.021 0.000 2.555 850 K HA 0.710 5.030 4.320 0.000 0.000 0.279 850 K C -3.598 173.033 176.600 0.051 0.000 0.986 850 K CA -2.353 53.909 56.287 -0.043 0.000 0.880 850 K CB 0.862 33.255 32.500 -0.178 0.000 1.474 850 K HN -0.251 nan 8.250 nan 0.000 0.433 851 P HA 0.065 nan 4.420 nan 0.000 0.269 851 P C -0.411 177.067 177.300 0.297 0.000 1.215 851 P CA -0.324 62.859 63.100 0.139 0.000 0.780 851 P CB 0.376 32.132 31.700 0.093 0.000 0.898 852 L N 1.020 122.445 121.223 0.337 0.000 2.473 852 L HA 0.121 4.461 4.340 0.000 0.000 0.268 852 L C 1.279 178.398 176.870 0.416 0.000 1.215 852 L CA 0.126 55.242 54.840 0.460 0.000 0.823 852 L CB -0.118 42.098 42.059 0.262 0.000 1.099 852 L HN 0.405 nan 8.230 nan 0.000 0.483 853 E N -0.025 120.466 120.200 0.485 0.000 2.322 853 E HA 0.304 4.654 4.350 0.000 0.000 0.257 853 E C 0.079 176.898 176.600 0.365 0.000 1.155 853 E CA -0.561 56.065 56.400 0.377 0.000 0.936 853 E CB 0.669 30.598 29.700 0.382 0.000 1.130 853 E HN 0.705 nan 8.360 nan 0.000 0.465 854 G N -0.188 108.777 108.800 0.274 0.000 2.614 854 G HA2 0.299 4.259 3.960 0.000 0.000 0.239 854 G HA3 0.299 4.259 3.960 0.000 0.000 0.239 854 G C -0.262 174.759 174.900 0.203 0.000 1.240 854 G CA -0.110 45.138 45.100 0.246 0.000 0.842 854 G HN 0.514 nan 8.290 nan 0.000 0.584 855 A N 1.267 124.157 122.820 0.117 0.000 2.498 855 A HA 0.467 4.787 4.320 0.000 0.000 0.239 855 A C 0.511 178.004 177.584 -0.151 0.000 1.068 855 A CA 0.308 52.184 52.037 -0.267 0.000 0.766 855 A CB 0.059 18.922 19.000 -0.228 0.000 1.003 855 A HN 0.635 nan 8.150 nan 0.000 0.497 856 M N 2.840 122.315 119.600 -0.209 0.000 2.205 856 M HA 0.208 4.688 4.480 0.000 0.000 0.344 856 M C -0.426 175.817 176.300 -0.094 0.000 1.085 856 M CA -0.486 54.755 55.300 -0.099 0.000 1.001 856 M CB 1.218 33.768 32.600 -0.084 0.000 1.626 856 M HN 0.651 nan 8.290 nan 0.000 0.442 857 N N 2.254 120.909 118.700 -0.075 0.000 2.452 857 N HA 0.144 4.884 4.740 0.000 0.000 0.266 857 N C 0.144 175.625 175.510 -0.048 0.000 1.175 857 N CA 0.054 53.068 53.050 -0.059 0.000 0.945 857 N CB 0.872 39.331 38.487 -0.047 0.000 1.063 857 N HN 0.880 nan 8.380 nan 0.000 0.472 858 G N 0.048 108.854 108.800 0.010 0.000 2.414 858 G HA2 0.357 4.317 3.960 0.000 0.000 0.236 858 G HA3 0.357 4.317 3.960 0.000 0.000 0.236 858 G C 1.023 175.876 174.900 -0.078 0.000 1.293 858 G CA 0.220 45.336 45.100 0.026 0.000 0.869 858 G HN 0.784 nan 8.290 nan 0.000 0.556 859 G N 1.680 110.353 108.800 -0.213 0.000 2.201 859 G HA2 -0.221 3.739 3.960 0.000 0.000 0.212 859 G HA3 -0.221 3.739 3.960 0.000 0.000 0.212 859 G C 0.086 174.939 174.900 -0.078 0.000 0.994 859 G CA 0.173 45.228 45.100 -0.075 0.000 0.644 859 G HN 0.778 nan 8.290 nan 0.000 0.508 860 D N 0.501 120.763 120.400 -0.230 0.000 2.351 860 D HA 0.492 5.132 4.640 0.000 0.000 0.251 860 D C 0.591 176.772 176.300 -0.198 0.000 1.137 860 D CA -0.008 53.887 54.000 -0.175 0.000 0.879 860 D CB 0.909 41.597 40.800 -0.187 0.000 1.181 860 D HN 0.421 nan 8.370 nan 0.000 0.448 861 R N 3.227 123.680 120.500 -0.079 0.000 2.265 861 R HA 0.464 4.804 4.340 0.000 0.000 0.328 861 R C -0.882 175.257 176.300 -0.269 0.000 0.969 861 R CA -0.550 55.464 56.100 -0.143 0.000 0.832 861 R CB 0.345 30.550 30.300 -0.158 0.000 1.139 861 R HN 0.408 nan 8.270 nan 0.000 0.457 862 I N 5.795 126.208 120.570 -0.262 0.000 2.359 862 I HA 0.235 4.405 4.170 0.000 0.000 0.284 862 I C -0.684 175.369 176.117 -0.105 0.000 1.018 862 I CA -0.889 60.334 61.300 -0.129 0.000 1.173 862 I CB 0.825 38.814 38.000 -0.019 0.000 1.326 862 I HN 0.532 nan 8.210 nan 0.000 0.462 863 Y N 5.281 125.641 120.300 0.101 0.000 2.397 863 Y HA 0.121 4.671 4.550 0.001 0.000 0.335 863 Y C 1.288 177.265 175.900 0.129 0.000 1.213 863 Y CA -0.343 57.821 58.100 0.106 0.000 1.391 863 Y CB 0.294 38.799 38.460 0.075 0.000 1.293 863 Y HN 0.590 nan 8.280 nan 0.000 0.557 864 N N 0.340 119.212 118.700 0.287 0.000 2.735 864 N HA -0.316 4.424 4.740 0.000 0.000 0.248 864 N C -0.973 174.655 175.510 0.197 0.000 1.083 864 N CA 0.419 53.590 53.050 0.202 0.000 0.703 864 N CB -1.793 36.787 38.487 0.156 0.000 1.005 864 N HN 0.662 nan 8.380 nan 0.000 0.550 865 Y N 2.121 122.482 120.300 0.101 0.000 2.569 865 Y HA 0.181 4.731 4.550 0.000 0.000 0.332 865 Y C -1.898 174.056 175.900 0.090 0.000 1.120 865 Y CA -1.597 56.556 58.100 0.089 0.000 1.416 865 Y CB 0.581 39.090 38.460 0.081 0.000 1.210 865 Y HN 0.051 nan 8.280 nan 0.000 0.528 866 P HA 0.056 nan 4.420 nan 0.000 0.267 866 P C -1.262 175.850 177.300 -0.313 0.000 1.209 866 P CA 0.299 63.230 63.100 -0.282 0.000 0.763 866 P CB 0.571 32.122 31.700 -0.249 0.000 0.816 867 V N 6.237 126.092 119.914 -0.099 0.000 2.454 867 V HA 0.250 4.370 4.120 0.000 0.000 0.267 867 V C -2.242 173.848 176.094 -0.007 0.000 0.993 867 V CA -2.047 60.233 62.300 -0.034 0.000 0.836 867 V CB 1.244 33.097 31.823 0.050 0.000 1.055 867 V HN 0.413 nan 8.190 nan 0.000 0.452 868 P HA 0.031 nan 4.420 nan 0.000 0.269 868 P C 0.975 178.281 177.300 0.009 0.000 1.217 868 P CA 0.150 63.250 63.100 -0.000 0.000 0.783 868 P CB 0.793 32.491 31.700 -0.003 0.000 0.898 869 Q N 1.622 121.428 119.800 0.011 0.000 2.152 869 Q HA -0.227 4.114 4.340 0.000 0.000 0.206 869 Q C 1.605 177.607 176.000 0.003 0.000 0.985 869 Q CA 2.440 58.245 55.803 0.003 0.000 0.863 869 Q CB -0.345 28.399 28.738 0.010 0.000 0.904 869 Q HN 0.581 nan 8.270 nan 0.000 0.422 870 S N -1.078 114.642 115.700 0.032 0.000 2.515 870 S HA 0.007 4.478 4.470 0.000 0.000 0.231 870 S C 0.263 174.962 174.600 0.164 0.000 0.987 870 S CA 0.118 58.367 58.200 0.082 0.000 0.936 870 S CB 0.095 63.329 63.200 0.057 0.000 0.766 870 S HN 0.312 nan 8.310 nan 0.000 0.528 871 E N 0.452 120.714 120.200 0.103 0.000 2.249 871 E HA 0.653 5.003 4.350 0.000 0.000 0.263 871 E C -1.226 175.437 176.600 0.106 0.000 0.950 871 E CA -0.707 55.781 56.400 0.145 0.000 0.827 871 E CB 1.914 31.652 29.700 0.062 0.000 1.220 871 E HN 0.147 nan 8.360 nan 0.000 0.411 872 S N 1.019 116.817 115.700 0.164 0.000 2.546 872 S HA 0.421 4.891 4.470 0.000 0.000 0.272 872 S C -2.813 171.794 174.600 0.011 0.000 1.140 872 S CA -1.578 56.657 58.200 0.058 0.000 0.920 872 S CB 1.267 64.473 63.200 0.010 0.000 1.083 872 S HN 0.145 nan 8.310 nan 0.000 0.476 873 P HA 0.442 nan 4.420 nan 0.000 0.274 873 P C -1.159 175.957 177.300 -0.307 0.000 1.291 873 P CA 0.093 63.130 63.100 -0.105 0.000 0.815 873 P CB -0.107 31.697 31.700 0.173 0.000 0.897 874 I N 4.386 124.561 120.570 -0.658 0.000 2.571 874 I HA 0.414 4.584 4.170 0.000 0.000 0.289 874 I C -0.684 175.101 176.117 -0.554 0.000 1.115 874 I CA -0.656 60.439 61.300 -0.342 0.000 1.045 874 I CB 1.596 39.601 38.000 0.008 0.000 1.238 874 I HN 0.114 nan 8.210 nan 0.000 0.424 875 F N 5.019 125.030 119.950 0.103 0.000 2.551 875 F HA 0.594 5.121 4.527 0.000 0.000 0.316 875 F C -0.172 175.797 175.800 0.282 0.000 1.089 875 F CA -1.069 57.032 58.000 0.168 0.000 0.915 875 F CB 2.007 41.015 39.000 0.012 0.000 1.186 875 F HN -0.056 nan 8.300 nan 0.000 0.456 876 V N 2.859 122.991 119.914 0.364 0.000 2.435 876 V HA 0.445 4.565 4.120 0.000 0.000 0.290 876 V C 0.122 176.301 176.094 0.141 0.000 1.030 876 V CA -0.941 61.376 62.300 0.028 0.000 0.881 876 V CB 1.514 32.895 31.823 -0.737 0.000 0.983 876 V HN 0.710 nan 8.190 nan 0.000 0.445 877 R N 3.359 123.834 120.500 -0.042 0.000 2.594 877 R HA 0.214 4.554 4.340 0.000 0.000 0.272 877 R C 0.589 176.781 176.300 -0.180 0.000 1.074 877 R CA -0.399 55.450 56.100 -0.418 0.000 1.105 877 R CB 0.670 30.600 30.300 -0.617 0.000 1.008 877 R HN 0.926 nan 8.270 nan 0.000 0.472 878 E N 2.159 122.282 120.200 -0.129 0.000 2.436 878 E HA 0.079 4.429 4.350 0.000 0.000 0.262 878 E C 0.385 176.960 176.600 -0.041 0.000 1.063 878 E CA 0.302 56.730 56.400 0.047 0.000 0.944 878 E CB 0.429 30.168 29.700 0.065 0.000 0.950 878 E HN 0.827 nan 8.360 nan 0.000 0.444 879 G N 1.135 109.938 108.800 0.004 0.000 2.159 879 G HA2 -0.267 3.693 3.960 0.000 0.000 0.256 879 G HA3 -0.267 3.693 3.960 0.000 0.000 0.256 879 G C 0.215 175.101 174.900 -0.023 0.000 0.977 879 G CA 0.038 45.123 45.100 -0.025 0.000 0.652 879 G HN 0.993 nan 8.290 nan 0.000 0.531 880 A N -0.063 122.758 122.820 0.002 0.000 2.331 880 A HA 0.792 5.112 4.320 0.000 0.000 0.283 880 A C 0.127 177.784 177.584 0.121 0.000 1.142 880 A CA -0.244 51.796 52.037 0.005 0.000 0.812 880 A CB 0.559 19.454 19.000 -0.175 0.000 1.074 880 A HN 0.770 nan 8.150 nan 0.000 0.497 881 I N 3.120 123.746 120.570 0.093 0.000 2.410 881 I HA 0.293 4.464 4.170 0.000 0.000 0.286 881 I C -0.904 175.313 176.117 0.166 0.000 1.009 881 I CA -0.112 61.285 61.300 0.163 0.000 1.111 881 I CB 1.428 39.476 38.000 0.081 0.000 1.262 881 I HN 0.467 nan 8.210 nan 0.000 0.443 882 L N 8.158 129.512 121.223 0.219 0.000 2.313 882 L HA 0.523 4.863 4.340 0.000 0.000 0.283 882 L C -2.334 174.573 176.870 0.061 0.000 1.013 882 L CA -1.985 52.902 54.840 0.077 0.000 0.816 882 L CB 1.826 43.876 42.059 -0.015 0.000 1.236 882 L HN 0.270 nan 8.230 nan 0.000 0.419 883 P HA 0.154 nan 4.420 nan 0.000 0.271 883 P C -0.822 176.410 177.300 -0.113 0.000 1.220 883 P CA -0.066 62.858 63.100 -0.293 0.000 0.768 883 P CB 1.043 32.565 31.700 -0.298 0.000 0.848 884 T N 3.894 118.397 114.554 -0.085 0.000 2.912 884 T HA 0.475 4.826 4.350 0.000 0.000 0.299 884 T C -0.382 174.283 174.700 -0.058 0.000 1.052 884 T CA -0.767 61.352 62.100 0.032 0.000 0.996 884 T CB 1.457 70.425 68.868 0.167 0.000 1.070 884 T HN 0.211 nan 8.240 nan 0.000 0.465 885 R N 1.514 121.919 120.500 -0.158 0.000 2.637 885 R HA 0.631 4.971 4.340 0.000 0.000 0.291 885 R C -1.470 174.697 176.300 -0.222 0.000 0.963 885 R CA -0.767 55.303 56.100 -0.052 0.000 0.901 885 R CB 1.404 31.713 30.300 0.015 0.000 1.160 885 R HN 0.660 nan 8.270 nan 0.000 0.457 886 Y N -0.776 119.682 120.300 0.263 0.000 2.570 886 Y HA 0.323 4.873 4.550 0.000 0.000 0.345 886 Y C 0.861 176.850 175.900 0.147 0.000 1.014 886 Y CA -0.839 57.406 58.100 0.242 0.000 1.063 886 Y CB 1.791 40.395 38.460 0.240 0.000 1.272 886 Y HN 0.546 nan 8.280 nan 0.000 0.477 887 T N -0.596 114.092 114.554 0.224 0.000 2.913 887 T HA 0.157 4.507 4.350 0.000 0.000 0.297 887 T C 0.810 175.539 174.700 0.048 0.000 1.029 887 T CA -0.635 61.445 62.100 -0.033 0.000 1.104 887 T CB 0.992 69.808 68.868 -0.086 0.000 0.964 887 T HN 0.648 nan 8.240 nan 0.000 0.532 888 L N 2.234 123.444 121.223 -0.022 0.000 2.083 888 L HA -0.035 4.305 4.340 0.000 0.000 0.209 888 L C 2.093 178.998 176.870 0.059 0.000 1.083 888 L CA 1.967 56.820 54.840 0.022 0.000 0.752 888 L CB -0.912 41.144 42.059 -0.005 0.000 0.899 888 L HN 0.939 nan 8.230 nan 0.000 0.433 889 N N -0.910 117.801 118.700 0.020 0.000 2.336 889 N HA 0.105 4.845 4.740 0.000 0.000 0.189 889 N C 1.402 176.927 175.510 0.025 0.000 1.113 889 N CA 0.794 53.853 53.050 0.015 0.000 0.858 889 N CB -0.143 38.340 38.487 -0.006 0.000 0.970 889 N HN 0.333 nan 8.380 nan 0.000 0.471 890 G N -0.390 108.444 108.800 0.058 0.000 2.184 890 G HA2 -0.314 3.647 3.960 0.000 0.000 0.264 890 G HA3 -0.314 3.647 3.960 0.000 0.000 0.264 890 G C -0.322 174.607 174.900 0.048 0.000 0.975 890 G CA 0.435 45.576 45.100 0.068 0.000 0.642 890 G HN 0.537 nan 8.290 nan 0.000 0.536 891 E N 0.554 120.771 120.200 0.028 0.000 2.319 891 E HA 0.350 4.700 4.350 0.000 0.000 0.268 891 E C -0.226 176.397 176.600 0.037 0.000 1.050 891 E CA -0.845 55.569 56.400 0.023 0.000 0.878 891 E CB 0.471 30.178 29.700 0.012 0.000 1.066 891 E HN 0.219 nan 8.360 nan 0.000 0.406 892 N N 2.943 121.668 118.700 0.042 0.000 2.458 892 N HA 0.105 4.845 4.740 0.000 0.000 0.270 892 N C -0.461 175.099 175.510 0.084 0.000 1.102 892 N CA 0.046 53.132 53.050 0.060 0.000 0.967 892 N CB 0.919 39.417 38.487 0.019 0.000 1.078 892 N HN 0.431 nan 8.380 nan 0.000 0.471 893 K N -1.362 119.117 120.400 0.133 0.000 2.409 893 K HA 0.543 4.863 4.320 0.000 0.000 0.252 893 K C -0.238 176.566 176.600 0.340 0.000 1.036 893 K CA -0.906 55.482 56.287 0.169 0.000 0.871 893 K CB 0.811 33.358 32.500 0.079 0.000 1.374 893 K HN 0.354 nan 8.250 nan 0.000 0.459 894 S N 0.469 116.348 115.700 0.298 0.000 2.568 894 S HA 0.048 4.518 4.470 0.000 0.000 0.282 894 S C 1.361 176.243 174.600 0.471 0.000 1.338 894 S CA -0.658 57.752 58.200 0.349 0.000 1.045 894 S CB 0.096 63.383 63.200 0.145 0.000 0.873 894 S HN 0.628 nan 8.310 nan 0.000 0.516 895 L N 1.761 123.176 121.223 0.319 0.000 2.042 895 L HA -0.198 4.142 4.340 0.000 0.000 0.210 895 L C 2.759 179.714 176.870 0.143 0.000 1.076 895 L CA 1.763 56.620 54.840 0.028 0.000 0.749 895 L CB -0.927 40.971 42.059 -0.270 0.000 0.893 895 L HN 0.902 nan 8.230 nan 0.000 0.432 896 N N -0.247 118.533 118.700 0.133 0.000 2.453 896 N HA -0.155 4.585 4.740 0.000 0.000 0.183 896 N C 1.364 177.071 175.510 0.329 0.000 1.041 896 N CA 1.715 54.878 53.050 0.188 0.000 0.900 896 N CB -0.377 38.135 38.487 0.042 0.000 0.961 896 N HN 0.421 nan 8.380 nan 0.000 0.443 897 T N -3.755 110.971 114.554 0.287 0.000 3.122 897 T HA 0.138 4.488 4.350 0.000 0.000 0.250 897 T C 0.284 175.117 174.700 0.222 0.000 1.067 897 T CA -0.593 61.641 62.100 0.223 0.000 0.966 897 T CB -0.538 68.416 68.868 0.143 0.000 1.002 897 T HN -0.010 nan 8.240 nan 0.000 0.542 898 Y N 3.547 123.906 120.300 0.098 0.000 2.480 898 Y HA 0.403 4.953 4.550 0.000 0.000 0.338 898 Y C 1.495 177.436 175.900 0.068 0.000 1.220 898 Y CA -0.135 58.014 58.100 0.083 0.000 1.430 898 Y CB 0.636 39.142 38.460 0.077 0.000 1.311 898 Y HN 0.319 nan 8.280 nan 0.000 0.575 899 T N -2.610 112.043 114.554 0.164 0.000 2.883 899 T HA 0.281 4.631 4.350 0.000 0.000 0.284 899 T C 0.264 175.005 174.700 0.069 0.000 1.041 899 T CA -0.902 61.254 62.100 0.094 0.000 1.007 899 T CB 1.257 70.139 68.868 0.024 0.000 1.220 899 T HN 0.397 nan 8.240 nan 0.000 0.552 900 D N 0.247 120.596 120.400 -0.085 0.000 2.378 900 D HA 0.012 4.652 4.640 0.000 0.000 0.222 900 D C 1.409 177.598 176.300 -0.185 0.000 0.980 900 D CA 0.465 54.236 54.000 -0.380 0.000 0.907 900 D CB 0.060 40.282 40.800 -0.963 0.000 0.899 900 D HN 0.505 nan 8.370 nan 0.000 0.527 901 E N 0.557 120.725 120.200 -0.053 0.000 2.481 901 E HA -0.009 4.341 4.350 0.000 0.000 0.195 901 E C -0.109 176.518 176.600 0.044 0.000 1.047 901 E CA 0.276 56.679 56.400 0.005 0.000 0.867 901 E CB 0.131 29.824 29.700 -0.012 0.000 0.858 901 E HN 0.331 nan 8.360 nan 0.000 0.513 902 D N 2.449 122.897 120.400 0.079 0.000 2.339 902 D HA 0.164 4.804 4.640 0.000 0.000 0.241 902 D C -2.377 174.048 176.300 0.209 0.000 1.183 902 D CA -1.761 52.291 54.000 0.086 0.000 0.859 902 D CB 1.118 41.937 40.800 0.032 0.000 1.067 902 D HN -0.134 nan 8.370 nan 0.000 0.484 903 P HA -0.081 nan 4.420 nan 0.000 0.263 903 P C -0.256 177.236 177.300 0.318 0.000 1.175 903 P CA -0.157 63.019 63.100 0.126 0.000 0.761 903 P CB 0.471 31.818 31.700 -0.587 0.000 0.794 904 L N 5.911 127.388 121.223 0.424 0.000 2.272 904 L HA 0.476 4.816 4.340 0.000 0.000 0.289 904 L C -1.086 175.983 176.870 0.331 0.000 1.032 904 L CA -0.234 54.733 54.840 0.211 0.000 0.810 904 L CB 1.251 43.231 42.059 -0.132 0.000 1.205 904 L HN 0.046 nan 8.230 nan 0.000 0.422 905 V N 5.943 125.987 119.914 0.217 0.000 2.531 905 V HA 0.421 4.541 4.120 0.000 0.000 0.301 905 V C -0.691 175.466 176.094 0.105 0.000 1.034 905 V CA -0.375 62.159 62.300 0.389 0.000 0.865 905 V CB 1.597 33.764 31.823 0.573 0.000 0.995 905 V HN 0.523 nan 8.190 nan 0.000 0.424 906 F N 2.677 122.842 119.950 0.357 0.000 2.335 906 F HA 0.380 4.907 4.527 0.000 0.000 0.365 906 F C 0.717 176.611 175.800 0.157 0.000 1.122 906 F CA -0.243 57.919 58.000 0.271 0.000 1.151 906 F CB 0.915 40.138 39.000 0.371 0.000 1.282 906 F HN 0.520 nan 8.300 nan 0.000 0.513 907 E N 3.460 123.783 120.200 0.205 0.000 2.105 907 E HA 0.307 4.657 4.350 0.000 0.000 0.285 907 E C -1.046 175.557 176.600 0.005 0.000 1.055 907 E CA -0.427 55.981 56.400 0.014 0.000 0.843 907 E CB 0.843 30.536 29.700 -0.012 0.000 1.067 907 E HN 0.354 nan 8.360 nan 0.000 0.398 908 V N 6.752 126.615 119.914 -0.086 0.000 2.368 908 V HA 0.191 4.311 4.120 0.000 0.000 0.266 908 V C -0.028 175.963 176.094 -0.172 0.000 1.045 908 V CA -0.247 62.032 62.300 -0.036 0.000 0.899 908 V CB -0.274 31.531 31.823 -0.030 0.000 1.006 908 V HN 0.586 nan 8.190 nan 0.000 0.470 909 F N 5.606 125.502 119.950 -0.089 0.000 2.368 909 F HA 0.426 4.953 4.527 0.000 0.000 0.308 909 F C -1.607 174.095 175.800 -0.163 0.000 1.198 909 F CA -2.176 55.732 58.000 -0.154 0.000 1.130 909 F CB 0.220 39.123 39.000 -0.162 0.000 1.300 909 F HN 0.308 nan 8.300 nan 0.000 0.537 910 P HA 0.028 nan 4.420 nan 0.000 0.266 910 P C -0.741 176.571 177.300 0.021 0.000 1.195 910 P CA 0.109 63.162 63.100 -0.078 0.000 0.768 910 P CB 0.304 31.892 31.700 -0.187 0.000 0.838 911 L N 1.794 123.023 121.223 0.010 0.000 2.426 911 L HA 0.364 4.704 4.340 0.000 0.000 0.271 911 L C 1.309 178.190 176.870 0.019 0.000 1.169 911 L CA -0.081 54.762 54.840 0.005 0.000 0.836 911 L CB -0.003 42.048 42.059 -0.014 0.000 1.112 911 L HN 0.427 nan 8.230 nan 0.000 0.465 912 G N 0.804 109.601 108.800 -0.006 0.000 2.335 912 G HA2 0.260 4.220 3.960 0.000 0.000 0.314 912 G HA3 0.260 4.220 3.960 0.000 0.000 0.314 912 G C 0.256 175.138 174.900 -0.031 0.000 1.129 912 G CA -0.313 44.774 45.100 -0.021 0.000 0.912 912 G HN 0.783 nan 8.290 nan 0.000 0.443 913 N N 2.112 120.797 118.700 -0.024 0.000 2.727 913 N HA -0.238 4.502 4.740 0.000 0.000 0.249 913 N C 0.750 176.245 175.510 -0.027 0.000 1.048 913 N CA 1.080 54.115 53.050 -0.025 0.000 0.714 913 N CB -1.059 37.409 38.487 -0.032 0.000 0.959 913 N HN 0.727 nan 8.380 nan 0.000 0.544 914 N N -2.421 116.266 118.700 -0.022 0.000 2.782 914 N HA -0.261 4.479 4.740 0.000 0.000 0.251 914 N C -0.158 175.331 175.510 -0.036 0.000 1.101 914 N CA 1.680 54.716 53.050 -0.025 0.000 0.764 914 N CB -1.015 37.458 38.487 -0.022 0.000 1.122 914 N HN 0.994 nan 8.380 nan 0.000 0.561 915 R N -1.305 119.168 120.500 -0.044 0.000 2.764 915 R HA 0.857 5.198 4.340 0.000 0.000 0.270 915 R C -1.631 174.624 176.300 -0.075 0.000 1.014 915 R CA -0.395 55.666 56.100 -0.064 0.000 0.904 915 R CB 1.372 31.627 30.300 -0.076 0.000 1.236 915 R HN -0.005 nan 8.270 nan 0.000 0.466 916 A N 1.268 124.027 122.820 -0.102 0.000 2.556 916 A HA 0.689 5.009 4.320 0.000 0.000 0.294 916 A C -1.822 175.637 177.584 -0.209 0.000 1.091 916 A CA -0.748 51.216 52.037 -0.122 0.000 0.704 916 A CB 2.113 21.076 19.000 -0.062 0.000 1.300 916 A HN 0.822 nan 8.150 nan 0.000 0.406 917 D N -1.221 118.992 120.400 -0.311 0.000 2.645 917 D HA 0.686 5.326 4.640 0.000 0.000 0.228 917 D C -0.127 176.009 176.300 -0.274 0.000 1.148 917 D CA 0.109 53.850 54.000 -0.431 0.000 0.860 917 D CB 2.213 42.478 40.800 -0.892 0.000 1.548 917 D HN 0.913 nan 8.370 nan 0.000 0.460 918 G N -0.099 108.606 108.800 -0.159 0.000 2.692 918 G HA2 0.640 4.600 3.960 0.000 0.000 0.291 918 G HA3 0.640 4.600 3.960 0.000 0.000 0.291 918 G C -1.672 173.261 174.900 0.056 0.000 1.423 918 G CA -0.736 44.369 45.100 0.009 0.000 0.843 918 G HN 0.445 nan 8.290 nan 0.000 0.486 919 M N 0.271 119.957 119.600 0.143 0.000 2.413 919 M HA 0.611 5.092 4.480 0.000 0.000 0.287 919 M C -2.126 174.293 176.300 0.198 0.000 1.186 919 M CA -0.626 54.772 55.300 0.164 0.000 0.927 919 M CB 2.076 34.785 32.600 0.182 0.000 1.715 919 M HN 0.866 nan 8.290 nan 0.000 0.478 920 C N 4.309 123.737 119.300 0.213 0.000 2.607 920 C HA 0.521 4.981 4.460 0.000 0.000 0.350 920 C C -1.403 173.667 174.990 0.132 0.000 1.101 920 C CA -0.510 58.621 59.018 0.188 0.000 1.282 920 C CB 0.935 28.831 27.740 0.260 0.000 1.825 920 C HN 0.927 nan 8.230 nan 0.000 0.460 921 Y N 5.965 126.222 120.300 -0.073 0.000 2.309 921 Y HA 0.718 5.268 4.550 0.000 0.000 0.327 921 Y C -0.799 175.064 175.900 -0.062 0.000 1.172 921 Y CA -0.004 57.961 58.100 -0.226 0.000 1.280 921 Y CB 0.576 38.740 38.460 -0.493 0.000 1.234 921 Y HN 0.685 nan 8.280 nan 0.000 0.512 922 L N 6.721 127.513 121.223 -0.717 0.000 2.436 922 L HA 0.457 4.797 4.340 0.000 0.000 0.268 922 L C -1.324 175.080 176.870 -0.777 0.000 0.974 922 L CA -0.844 53.717 54.840 -0.466 0.000 0.826 922 L CB 2.059 44.099 42.059 -0.032 0.000 1.291 922 L HN 0.820 nan 8.230 nan 0.000 0.406 923 D N -0.243 119.710 120.400 -0.744 0.000 2.825 923 D HA 0.131 4.771 4.640 0.000 0.000 0.327 923 D C -0.265 175.442 176.300 -0.989 0.000 1.277 923 D CA -0.520 52.962 54.000 -0.862 0.000 0.950 923 D CB 0.579 41.213 40.800 -0.277 0.000 1.438 923 D HN 0.465 nan 8.370 nan 0.000 0.526 924 D N -1.407 118.668 120.400 -0.541 0.000 2.352 924 D HA 0.224 4.864 4.640 0.000 0.000 0.232 924 D C 1.546 177.828 176.300 -0.030 0.000 1.055 924 D CA 0.671 54.547 54.000 -0.207 0.000 0.891 924 D CB -0.418 40.413 40.800 0.052 0.000 0.897 924 D HN 0.933 nan 8.370 nan 0.000 0.529 925 G N -0.840 107.949 108.800 -0.019 0.000 2.179 925 G HA2 -0.144 3.817 3.960 0.000 0.000 0.260 925 G HA3 -0.144 3.817 3.960 0.000 0.000 0.260 925 G C 1.120 176.058 174.900 0.064 0.000 0.977 925 G CA 0.283 45.390 45.100 0.013 0.000 0.641 925 G HN 1.449 nan 8.290 nan 0.000 0.533 926 G N -2.358 106.513 108.800 0.117 0.000 2.168 926 G HA2 -0.066 3.894 3.960 0.000 0.000 0.197 926 G HA3 -0.066 3.894 3.960 0.000 0.000 0.197 926 G C 1.189 176.256 174.900 0.279 0.000 0.997 926 G CA 0.948 46.121 45.100 0.122 0.000 0.658 926 G HN 1.385 nan 8.290 nan 0.000 0.513 927 V N 1.024 121.099 119.914 0.269 0.000 2.332 927 V HA 0.018 4.138 4.120 0.000 0.000 0.248 927 V C 2.026 178.138 176.094 0.029 0.000 1.055 927 V CA 2.829 65.174 62.300 0.074 0.000 1.038 927 V CB -0.597 31.204 31.823 -0.037 0.000 0.651 927 V HN 1.125 nan 8.190 nan 0.000 0.450 928 T N -3.256 111.329 114.554 0.051 0.000 2.883 928 T HA 0.391 4.741 4.350 0.000 0.000 0.284 928 T C 0.430 175.157 174.700 0.045 0.000 1.041 928 T CA 0.231 62.352 62.100 0.035 0.000 1.007 928 T CB 1.812 70.698 68.868 0.031 0.000 1.220 928 T HN 0.224 nan 8.240 nan 0.000 0.552 929 T N -2.005 112.569 114.554 0.032 0.000 3.243 929 T HA 0.298 4.648 4.350 0.000 0.000 0.264 929 T C 0.737 175.464 174.700 0.046 0.000 1.000 929 T CA -0.469 61.650 62.100 0.031 0.000 0.901 929 T CB -1.058 67.817 68.868 0.011 0.000 1.083 929 T HN 0.636 nan 8.240 nan 0.000 0.559 930 N N 1.056 119.792 118.700 0.059 0.000 2.409 930 N HA 0.169 4.909 4.740 0.000 0.000 0.179 930 N C 2.166 177.745 175.510 0.114 0.000 1.032 930 N CA 0.656 53.747 53.050 0.069 0.000 0.898 930 N CB -0.077 38.445 38.487 0.059 0.000 0.971 930 N HN 0.534 nan 8.380 nan 0.000 0.441 931 A N 2.037 124.947 122.820 0.151 0.000 1.858 931 A HA -0.193 4.127 4.320 0.000 0.000 0.216 931 A C 2.090 179.841 177.584 0.279 0.000 1.190 931 A CA 1.521 53.734 52.037 0.293 0.000 0.617 931 A CB -0.332 18.823 19.000 0.259 0.000 0.827 931 A HN 0.424 nan 8.150 nan 0.000 0.443 932 E N -0.696 119.579 120.200 0.126 0.000 2.318 932 E HA -0.098 4.252 4.350 0.000 0.000 0.193 932 E C 0.412 177.046 176.600 0.055 0.000 0.998 932 E CA 1.107 57.545 56.400 0.064 0.000 0.859 932 E CB -0.319 29.376 29.700 -0.008 0.000 0.812 932 E HN 0.515 nan 8.360 nan 0.000 0.492 933 D N 1.092 121.525 120.400 0.055 0.000 2.262 933 D HA 0.024 4.664 4.640 0.000 0.000 0.212 933 D C 0.704 177.029 176.300 0.042 0.000 0.964 933 D CA 0.732 54.752 54.000 0.033 0.000 0.875 933 D CB 0.008 40.821 40.800 0.021 0.000 0.996 933 D HN 0.277 nan 8.370 nan 0.000 0.497 934 N N -1.228 117.509 118.700 0.062 0.000 2.143 934 N HA 0.270 5.010 4.740 0.000 0.000 0.222 934 N C 0.653 176.188 175.510 0.040 0.000 1.264 934 N CA 0.331 53.407 53.050 0.043 0.000 0.897 934 N CB 2.070 40.574 38.487 0.028 0.000 1.092 934 N HN 0.052 nan 8.380 nan 0.000 0.516 935 G N 1.414 110.277 108.800 0.107 0.000 2.147 935 G HA2 -0.271 3.689 3.960 0.000 0.000 0.244 935 G HA3 -0.271 3.689 3.960 0.000 0.000 0.244 935 G C -0.183 174.629 174.900 -0.146 0.000 1.005 935 G CA -0.070 45.054 45.100 0.040 0.000 0.713 935 G HN 0.042 nan 8.290 nan 0.000 0.515 936 K N 0.444 120.869 120.400 0.042 0.000 2.278 936 K HA 0.478 4.798 4.320 0.000 0.000 0.237 936 K C 0.219 176.887 176.600 0.113 0.000 1.229 936 K CA 0.046 56.342 56.287 0.016 0.000 1.155 936 K CB -1.143 31.394 32.500 0.062 0.000 1.590 936 K HN 0.718 nan 8.250 nan 0.000 0.290 937 F N -2.892 117.024 119.950 -0.056 0.000 2.715 937 F HA 0.653 5.180 4.527 0.000 0.000 0.318 937 F C -0.533 175.136 175.800 -0.218 0.000 1.141 937 F CA -1.152 56.729 58.000 -0.197 0.000 0.950 937 F CB 1.178 40.020 39.000 -0.265 0.000 1.374 937 F HN -0.167 nan 8.300 nan 0.000 0.477 938 S N 0.406 116.045 115.700 -0.102 0.000 2.548 938 S HA 0.775 5.246 4.470 0.000 0.000 0.286 938 S C -1.530 173.060 174.600 -0.015 0.000 1.098 938 S CA -0.744 57.387 58.200 -0.116 0.000 0.930 938 S CB 2.140 65.185 63.200 -0.258 0.000 1.070 938 S HN 0.604 nan 8.310 nan 0.000 0.480 939 V N 2.888 122.854 119.914 0.088 0.000 2.398 939 V HA 0.387 4.507 4.120 0.000 0.000 0.282 939 V C -0.618 175.558 176.094 0.136 0.000 1.014 939 V CA -0.611 61.739 62.300 0.084 0.000 0.838 939 V CB 1.375 33.277 31.823 0.131 0.000 1.018 939 V HN 0.683 nan 8.190 nan 0.000 0.432 940 V N 5.280 125.277 119.914 0.139 0.000 2.481 940 V HA 0.506 4.626 4.120 0.000 0.000 0.286 940 V C 0.152 176.294 176.094 0.081 0.000 1.042 940 V CA -0.615 61.760 62.300 0.125 0.000 0.928 940 V CB 1.706 33.622 31.823 0.155 0.000 0.986 940 V HN 0.771 nan 8.190 nan 0.000 0.462 941 K N 2.660 123.060 120.400 -0.000 0.000 2.328 941 K HA 0.837 5.157 4.320 0.000 0.000 0.246 941 K C -1.419 175.010 176.600 -0.286 0.000 0.955 941 K CA -0.728 55.516 56.287 -0.073 0.000 0.817 941 K CB 2.679 35.163 32.500 -0.027 0.000 1.208 941 K HN 0.447 nan 8.250 nan 0.000 0.432 942 V N 0.305 119.990 119.914 -0.382 0.000 2.925 942 V HA 0.868 4.989 4.120 0.000 0.000 0.311 942 V C -1.907 173.943 176.094 -0.407 0.000 1.104 942 V CA -0.411 61.484 62.300 -0.674 0.000 0.954 942 V CB 1.921 33.010 31.823 -1.224 0.000 1.022 942 V HN 0.910 nan 8.190 nan 0.000 0.427 943 A N 4.521 127.115 122.820 -0.377 0.000 2.459 943 A HA 0.999 5.319 4.320 0.000 0.000 0.296 943 A C -0.556 176.910 177.584 -0.198 0.000 1.039 943 A CA -0.055 51.835 52.037 -0.245 0.000 0.698 943 A CB 1.674 20.562 19.000 -0.188 0.000 1.261 943 A HN 2.171 nan 8.150 nan 0.000 0.405 944 A N 1.836 124.565 122.820 -0.152 0.000 2.350 944 A HA 0.863 5.183 4.320 0.000 0.000 0.324 944 A C -0.481 177.054 177.584 -0.082 0.000 1.118 944 A CA -0.434 51.541 52.037 -0.103 0.000 0.783 944 A CB 1.071 20.022 19.000 -0.082 0.000 1.236 944 A HN 0.772 nan 8.150 nan 0.000 0.457 945 E N 0.539 120.703 120.200 -0.061 0.000 2.291 945 E HA 0.318 4.668 4.350 0.000 0.000 0.276 945 E C -1.534 175.044 176.600 -0.037 0.000 0.896 945 E CA -0.587 55.784 56.400 -0.049 0.000 0.774 945 E CB 2.125 31.797 29.700 -0.047 0.000 1.227 945 E HN 0.610 nan 8.360 nan 0.000 0.413 946 Q N 2.187 121.968 119.800 -0.032 0.000 2.257 946 Q HA 0.300 4.640 4.340 0.000 0.000 0.255 946 Q C -1.606 174.380 176.000 -0.022 0.000 0.920 946 Q CA -0.247 55.540 55.803 -0.026 0.000 0.927 946 Q CB 1.114 29.838 28.738 -0.023 0.000 1.229 946 Q HN 0.304 nan 8.270 nan 0.000 0.433 947 D N 3.302 123.690 120.400 -0.020 0.000 2.386 947 D HA 0.488 5.128 4.640 0.000 0.000 0.247 947 D C 0.356 176.647 176.300 -0.015 0.000 1.336 947 D CA 0.799 54.789 54.000 -0.017 0.000 0.976 947 D CB 0.434 41.224 40.800 -0.017 0.000 1.257 947 D HN 0.685 nan 8.370 nan 0.000 0.570 948 G N 3.214 112.006 108.800 -0.013 0.000 2.591 948 G HA2 -0.289 3.671 3.960 0.000 0.000 0.298 948 G HA3 -0.289 3.671 3.960 0.000 0.000 0.298 948 G C 1.029 175.922 174.900 -0.013 0.000 1.195 948 G CA 0.332 45.425 45.100 -0.012 0.000 0.989 948 G HN 0.908 nan 8.290 nan 0.000 0.551 949 G N -0.283 108.509 108.800 -0.013 0.000 2.985 949 G HA2 0.418 4.379 3.960 0.000 0.000 0.209 949 G HA3 0.418 4.379 3.960 0.000 0.000 0.209 949 G C 0.576 175.465 174.900 -0.018 0.000 1.165 949 G CA 1.602 46.693 45.100 -0.015 0.000 0.776 949 G HN 0.958 nan 8.290 nan 0.000 0.541 950 T N 0.345 114.889 114.554 -0.017 0.000 2.779 950 T HA 0.452 4.803 4.350 0.000 0.000 0.280 950 T C -0.800 173.889 174.700 -0.019 0.000 0.987 950 T CA -0.408 61.681 62.100 -0.017 0.000 0.966 950 T CB 2.430 71.289 68.868 -0.014 0.000 0.933 950 T HN 0.260 nan 8.240 nan 0.000 0.442 951 E N 2.296 122.484 120.200 -0.021 0.000 2.158 951 E HA 0.446 4.796 4.350 0.000 0.000 0.271 951 E C -0.993 175.599 176.600 -0.014 0.000 0.911 951 E CA -0.599 55.788 56.400 -0.022 0.000 0.767 951 E CB 0.850 30.533 29.700 -0.029 0.000 1.120 951 E HN 0.452 nan 8.360 nan 0.000 0.405 952 T N 5.397 119.942 114.554 -0.016 0.000 2.779 952 T HA 0.461 4.811 4.350 0.000 0.000 0.280 952 T C -0.210 174.479 174.700 -0.019 0.000 0.987 952 T CA -0.473 61.623 62.100 -0.007 0.000 0.966 952 T CB 0.461 69.324 68.868 -0.007 0.000 0.933 952 T HN 0.396 nan 8.240 nan 0.000 0.442 953 I N 3.208 123.778 120.570 0.001 0.000 2.382 953 I HA 0.309 4.479 4.170 0.000 0.000 0.285 953 I C -0.029 176.084 176.117 -0.006 0.000 1.007 953 I CA -0.639 60.647 61.300 -0.023 0.000 1.142 953 I CB 1.626 39.643 38.000 0.028 0.000 1.289 953 I HN 0.506 nan 8.210 nan 0.000 0.453 954 T N 6.009 120.496 114.554 -0.110 0.000 2.770 954 T HA 0.508 4.858 4.350 0.000 0.000 0.283 954 T C -0.439 174.113 174.700 -0.246 0.000 0.988 954 T CA -0.330 61.723 62.100 -0.078 0.000 0.957 954 T CB 0.632 69.457 68.868 -0.071 0.000 0.930 954 T HN 0.093 nan 8.240 nan 0.000 0.443 955 F N 2.887 122.763 119.950 -0.123 0.000 2.408 955 F HA 0.546 5.073 4.527 0.000 0.000 0.344 955 F C 1.286 176.997 175.800 -0.148 0.000 1.112 955 F CA -0.457 57.428 58.000 -0.192 0.000 1.096 955 F CB 1.445 40.285 39.000 -0.267 0.000 1.129 955 F HN 0.563 nan 8.300 nan 0.000 0.486 956 T N 0.259 114.801 114.554 -0.020 0.000 2.865 956 T HA 0.548 4.898 4.350 0.000 0.000 0.294 956 T C -1.149 173.547 174.700 -0.007 0.000 1.119 956 T CA -1.194 60.894 62.100 -0.019 0.000 1.007 956 T CB 2.137 70.989 68.868 -0.027 0.000 1.225 956 T HN 0.596 nan 8.240 nan 0.000 0.515 957 N N -0.084 118.620 118.700 0.006 0.000 2.240 957 N HA 0.316 5.056 4.740 0.000 0.000 0.302 957 N C -0.910 174.644 175.510 0.073 0.000 1.106 957 N CA -0.683 52.401 53.050 0.057 0.000 0.778 957 N CB 2.306 40.841 38.487 0.081 0.000 1.431 957 N HN 0.506 nan 8.380 nan 0.000 0.479 958 D N 0.035 120.500 120.400 0.108 0.000 2.305 958 D HA 0.121 4.761 4.640 0.000 0.000 0.206 958 D C 0.380 176.742 176.300 0.102 0.000 0.974 958 D CA 0.763 54.834 54.000 0.119 0.000 0.871 958 D CB 0.002 40.909 40.800 0.179 0.000 0.947 958 D HN 0.728 nan 8.370 nan 0.000 0.516 959 C N -1.915 117.442 119.300 0.094 0.000 3.284 959 C HA 0.609 5.069 4.460 0.000 0.000 0.338 959 C C -1.214 173.832 174.990 0.092 0.000 1.237 959 C CA -1.247 57.787 59.018 0.027 0.000 1.276 959 C CB 0.341 28.011 27.740 -0.118 0.000 1.601 959 C HN 0.176 nan 8.230 nan 0.000 0.494 960 Y N 1.062 121.307 120.300 -0.092 0.000 2.497 960 Y HA 0.396 4.946 4.550 0.000 0.000 0.333 960 Y C 1.015 176.866 175.900 -0.082 0.000 1.046 960 Y CA -0.105 57.954 58.100 -0.068 0.000 1.160 960 Y CB 0.427 38.863 38.460 -0.040 0.000 1.123 960 Y HN 0.839 nan 8.280 nan 0.000 0.638 961 E N 1.244 121.281 120.200 -0.272 0.000 2.400 961 E HA -0.048 4.302 4.350 0.000 0.000 0.195 961 E C -0.729 175.737 176.600 -0.224 0.000 1.012 961 E CA 0.340 56.606 56.400 -0.223 0.000 0.875 961 E CB 0.465 30.021 29.700 -0.239 0.000 0.859 961 E HN 0.475 nan 8.360 nan 0.000 0.498 962 Y N 1.300 121.334 120.300 -0.444 0.000 2.335 962 Y HA 0.244 4.794 4.550 0.000 0.000 0.339 962 Y C -0.445 175.133 175.900 -0.538 0.000 0.987 962 Y CA -0.819 57.062 58.100 -0.366 0.000 1.140 962 Y CB 0.877 39.180 38.460 -0.262 0.000 1.173 962 Y HN -0.380 nan 8.280 nan 0.000 0.486 963 V N 8.774 128.080 119.914 -1.014 0.000 2.389 963 V HA 0.048 4.168 4.120 0.000 0.000 0.264 963 V C -0.140 175.581 176.094 -0.621 0.000 1.049 963 V CA -0.548 61.400 62.300 -0.587 0.000 0.932 963 V CB -0.360 31.301 31.823 -0.270 0.000 1.011 963 V HN 0.691 nan 8.190 nan 0.000 0.475 964 F N 4.298 124.108 119.950 -0.234 0.000 2.541 964 F HA 0.452 4.979 4.527 0.000 0.000 0.378 964 F C 1.335 177.157 175.800 0.036 0.000 1.068 964 F CA 0.159 58.180 58.000 0.034 0.000 1.199 964 F CB 1.127 40.264 39.000 0.228 0.000 1.091 964 F HN 0.518 nan 8.300 nan 0.000 0.555 965 G N 3.992 112.511 108.800 -0.469 0.000 3.042 965 G HA2 0.342 4.302 3.960 0.000 0.000 0.212 965 G HA3 0.342 4.302 3.960 0.000 0.000 0.212 965 G C 0.417 175.193 174.900 -0.207 0.000 1.166 965 G CA 0.346 45.287 45.100 -0.264 0.000 0.767 965 G HN 0.975 nan 8.290 nan 0.000 0.546 966 G N -0.186 108.436 108.800 -0.296 0.000 2.600 966 G HA2 0.674 4.634 3.960 0.000 0.000 0.303 966 G HA3 0.674 4.634 3.960 0.000 0.000 0.303 966 G C -2.895 172.182 174.900 0.294 0.000 1.253 966 G CA -1.451 43.645 45.100 -0.007 0.000 0.974 966 G HN -0.058 nan 8.290 nan 0.000 0.483 967 P HA 0.307 nan 4.420 nan 0.000 0.270 967 P C -0.984 176.472 177.300 0.260 0.000 1.223 967 P CA -0.078 63.092 63.100 0.116 0.000 0.785 967 P CB 0.748 32.396 31.700 -0.086 0.000 0.923 968 F N -0.463 119.461 119.950 -0.044 0.000 2.631 968 F HA 0.753 5.280 4.527 0.000 0.000 0.328 968 F C -1.352 174.355 175.800 -0.154 0.000 1.067 968 F CA -1.418 56.612 58.000 0.050 0.000 0.969 968 F CB 1.059 40.114 39.000 0.091 0.000 1.332 968 F HN 0.183 nan 8.300 nan 0.000 0.490 969 Y N 0.271 120.794 120.300 0.371 0.000 2.536 969 Y HA 0.693 5.243 4.550 0.000 0.000 0.347 969 Y C -0.882 175.303 175.900 0.475 0.000 1.000 969 Y CA -1.413 56.877 58.100 0.318 0.000 1.051 969 Y CB 2.376 41.152 38.460 0.527 0.000 1.259 969 Y HN 0.537 nan 8.280 nan 0.000 0.468 970 V N 2.898 123.099 119.914 0.478 0.000 2.448 970 V HA 0.498 4.618 4.120 0.000 0.000 0.295 970 V C -0.536 175.667 176.094 0.181 0.000 1.025 970 V CA -0.992 61.551 62.300 0.406 0.000 0.859 970 V CB 1.580 33.610 31.823 0.346 0.000 0.988 970 V HN 0.687 nan 8.190 nan 0.000 0.431 971 R N 3.936 124.413 120.500 -0.039 0.000 2.288 971 R HA 0.623 4.963 4.340 0.000 0.000 0.326 971 R C -1.666 174.453 176.300 -0.303 0.000 0.959 971 R CA -0.378 55.448 56.100 -0.458 0.000 0.834 971 R CB 1.635 31.348 30.300 -0.979 0.000 1.157 971 R HN 0.550 nan 8.270 nan 0.000 0.470 972 V N 6.198 125.970 119.914 -0.238 0.000 2.333 972 V HA 0.351 4.471 4.120 0.000 0.000 0.274 972 V C 0.457 176.430 176.094 -0.202 0.000 1.028 972 V CA -0.791 61.406 62.300 -0.172 0.000 0.851 972 V CB 1.029 32.795 31.823 -0.096 0.000 1.000 972 V HN 0.637 nan 8.190 nan 0.000 0.456 973 R N 3.235 123.594 120.500 -0.234 0.000 2.491 973 R HA 0.364 4.704 4.340 0.000 0.000 0.283 973 R C 1.377 177.595 176.300 -0.136 0.000 1.072 973 R CA 0.732 56.709 56.100 -0.206 0.000 1.048 973 R CB 0.566 30.697 30.300 -0.282 0.000 0.983 973 R HN 1.110 nan 8.270 nan 0.000 0.450 974 G N 0.577 109.320 108.800 -0.094 0.000 2.179 974 G HA2 -0.301 3.659 3.960 0.000 0.000 0.260 974 G HA3 -0.301 3.659 3.960 0.000 0.000 0.260 974 G C 0.060 174.926 174.900 -0.057 0.000 0.977 974 G CA 0.289 45.353 45.100 -0.060 0.000 0.641 974 G HN 0.858 nan 8.290 nan 0.000 0.533 975 A N -0.361 122.414 122.820 -0.075 0.000 2.317 975 A HA 0.859 5.179 4.320 0.000 0.000 0.327 975 A C 0.268 177.808 177.584 -0.073 0.000 1.178 975 A CA -0.192 51.802 52.037 -0.071 0.000 0.817 975 A CB 1.293 20.244 19.000 -0.081 0.000 1.189 975 A HN 0.233 nan 8.150 nan 0.000 0.489 976 Q N 0.160 119.921 119.800 -0.064 0.000 3.274 976 Q HA 0.388 4.729 4.340 0.000 0.000 0.240 976 Q C 0.319 176.281 176.000 -0.064 0.000 1.075 976 Q CA -0.599 55.167 55.803 -0.061 0.000 0.702 976 Q CB 0.321 29.032 28.738 -0.045 0.000 3.188 976 Q HN 0.736 nan 8.270 nan 0.000 0.369 977 S N 2.616 118.295 115.700 -0.034 0.000 2.546 977 S HA 0.173 4.643 4.470 0.000 0.000 0.290 977 S C -2.041 172.514 174.600 -0.074 0.000 1.290 977 S CA -0.810 57.378 58.200 -0.020 0.000 1.069 977 S CB 0.021 63.249 63.200 0.047 0.000 0.846 977 S HN 0.202 nan 8.310 nan 0.000 0.495 978 P HA 0.398 nan 4.420 nan 0.000 0.283 978 P C 0.131 177.381 177.300 -0.083 0.000 1.271 978 P CA -0.688 62.306 63.100 -0.175 0.000 0.841 978 P CB 1.260 32.748 31.700 -0.353 0.000 1.122 979 S N -0.429 115.242 115.700 -0.050 0.000 2.414 979 S HA 0.012 4.482 4.470 0.000 0.000 0.227 979 S C 0.846 175.452 174.600 0.011 0.000 1.022 979 S CA 0.547 58.745 58.200 -0.004 0.000 0.958 979 S CB -0.352 62.847 63.200 -0.002 0.000 0.797 979 S HN 0.665 nan 8.310 nan 0.000 0.493 980 N N -0.173 118.511 118.700 -0.027 0.000 2.710 980 N HA 0.242 4.982 4.740 0.000 0.000 0.257 980 N C -2.268 173.223 175.510 -0.031 0.000 1.140 980 N CA -0.307 52.748 53.050 0.009 0.000 0.953 980 N CB 1.013 39.525 38.487 0.041 0.000 1.664 980 N HN 0.002 nan 8.380 nan 0.000 0.497 981 I N 2.489 123.064 120.570 0.007 0.000 2.439 981 I HA 0.218 4.388 4.170 0.000 0.000 0.285 981 I C -0.756 175.427 176.117 0.111 0.000 1.021 981 I CA -0.636 60.674 61.300 0.017 0.000 1.091 981 I CB 1.582 39.553 38.000 -0.047 0.000 1.242 981 I HN 0.532 nan 8.210 nan 0.000 0.439 982 H N 5.684 124.765 119.070 0.018 0.000 2.458 982 H HA 0.681 5.237 4.556 0.000 0.000 0.330 982 H C -1.383 173.963 175.328 0.030 0.000 1.111 982 H CA -0.393 55.672 56.048 0.028 0.000 1.245 982 H CB 1.659 31.432 29.762 0.019 0.000 1.456 982 H HN 0.267 nan 8.280 nan 0.000 0.488 983 V N 4.826 124.466 119.914 -0.457 0.000 2.443 983 V HA 0.307 4.427 4.120 0.000 0.000 0.293 983 V C -0.539 175.352 176.094 -0.339 0.000 1.021 983 V CA -0.694 61.455 62.300 -0.253 0.000 0.848 983 V CB 1.308 33.053 31.823 -0.130 0.000 0.998 983 V HN 0.948 nan 8.190 nan 0.000 0.424 984 S N 3.225 118.844 115.700 -0.135 0.000 2.509 984 S HA 0.904 5.374 4.470 0.000 0.000 0.297 984 S C -0.425 174.163 174.600 -0.020 0.000 1.118 984 S CA -0.584 57.583 58.200 -0.054 0.000 1.074 984 S CB 1.942 65.180 63.200 0.063 0.000 1.038 984 S HN 0.883 nan 8.310 nan 0.000 0.498 985 S N 1.260 116.946 115.700 -0.022 0.000 2.543 985 S HA 0.584 5.054 4.470 0.000 0.000 0.274 985 S C 0.163 174.750 174.600 -0.021 0.000 1.149 985 S CA -0.157 58.031 58.200 -0.020 0.000 0.866 985 S CB 0.707 63.889 63.200 -0.029 0.000 1.111 985 S HN 2.067 nan 8.310 nan 0.000 0.457 986 G N 2.058 110.843 108.800 -0.025 0.000 2.816 986 G HA2 0.316 4.276 3.960 0.000 0.000 0.341 986 G HA3 0.316 4.276 3.960 0.000 0.000 0.341 986 G C 1.101 175.992 174.900 -0.015 0.000 0.171 986 G CA 1.096 46.182 45.100 -0.023 0.000 1.218 986 G HN 2.187 nan 8.290 nan 0.000 0.433 987 A N -0.012 122.804 122.820 -0.007 0.000 3.255 987 A HA 0.130 4.450 4.320 0.000 0.000 0.218 987 A C 1.804 179.390 177.584 0.003 0.000 0.729 987 A CA 1.869 53.905 52.037 -0.002 0.000 1.744 987 A CB -1.253 17.744 19.000 -0.005 0.000 1.006 987 A HN 2.603 nan 8.150 nan 0.000 0.662 988 G N -2.027 106.772 108.800 -0.001 0.000 2.976 988 G HA2 0.906 4.866 3.960 0.000 0.000 0.276 988 G HA3 0.906 4.866 3.960 0.000 0.000 0.276 988 G C -0.303 174.594 174.900 -0.005 0.000 1.207 988 G CA 0.707 45.809 45.100 0.004 0.000 0.803 988 G HN 2.242 nan 8.290 nan 0.000 0.572 989 S N -1.155 114.534 115.700 -0.018 0.000 2.606 989 S HA 0.569 5.040 4.470 0.000 0.000 0.290 989 S C -1.293 173.246 174.600 -0.102 0.000 1.103 989 S CA -0.616 57.530 58.200 -0.091 0.000 0.870 989 S CB 1.521 64.705 63.200 -0.026 0.000 1.077 989 S HN 1.387 nan 8.310 nan 0.000 0.448 990 Q N 0.595 120.270 119.800 -0.209 0.000 2.495 990 Q HA 0.805 5.145 4.340 0.000 0.000 0.287 990 Q C -1.883 174.021 176.000 -0.159 0.000 1.078 990 Q CA -0.852 54.883 55.803 -0.112 0.000 0.793 990 Q CB 0.740 29.445 28.738 -0.055 0.000 1.459 990 Q HN 0.480 nan 8.270 nan 0.000 0.422 991 D N 0.856 121.263 120.400 0.013 0.000 2.264 991 D HA 0.333 4.973 4.640 0.000 0.000 0.249 991 D C -0.233 176.110 176.300 0.072 0.000 1.070 991 D CA -0.153 53.895 54.000 0.078 0.000 0.912 991 D CB 0.850 41.735 40.800 0.142 0.000 1.193 991 D HN 0.514 nan 8.370 nan 0.000 0.427 992 M N 1.099 120.777 119.600 0.129 0.000 2.163 992 M HA 0.249 4.729 4.480 0.000 0.000 0.305 992 M C 0.509 176.944 176.300 0.224 0.000 1.166 992 M CA -0.126 55.289 55.300 0.192 0.000 1.132 992 M CB 0.749 33.546 32.600 0.328 0.000 1.413 992 M HN 0.240 nan 8.290 nan 0.000 0.478 993 K N -0.428 120.015 120.400 0.072 0.000 2.477 993 K HA 0.602 4.922 4.320 0.000 0.000 0.255 993 K C -1.137 175.052 176.600 -0.685 0.000 0.952 993 K CA -1.027 55.186 56.287 -0.122 0.000 0.826 993 K CB 1.923 34.377 32.500 -0.078 0.000 1.331 993 K HN 0.455 nan 8.250 nan 0.000 0.437 994 V N 1.655 121.046 119.914 -0.872 0.000 2.655 994 V HA 0.045 4.165 4.120 0.000 0.000 0.300 994 V C 0.040 175.862 176.094 -0.453 0.000 1.044 994 V CA 0.291 61.962 62.300 -1.049 0.000 1.095 994 V CB 1.166 32.698 31.823 -0.485 0.000 0.952 994 V HN 0.909 nan 8.190 nan 0.000 0.485 995 S N 3.848 119.359 115.700 -0.316 0.000 2.585 995 S HA 0.142 4.612 4.470 0.000 0.000 0.273 995 S C 1.380 175.922 174.600 -0.096 0.000 1.339 995 S CA 0.093 58.210 58.200 -0.138 0.000 1.028 995 S CB 1.184 64.354 63.200 -0.051 0.000 0.906 995 S HN 1.314 nan 8.310 nan 0.000 0.528 996 S N 2.835 118.480 115.700 -0.091 0.000 2.558 996 S HA 0.298 4.768 4.470 0.000 0.000 0.217 996 S C 0.683 175.219 174.600 -0.106 0.000 0.975 996 S CA 0.102 58.255 58.200 -0.078 0.000 0.912 996 S CB -0.357 62.802 63.200 -0.068 0.000 0.776 996 S HN 0.923 nan 8.310 nan 0.000 0.526 997 A N 2.031 124.758 122.820 -0.154 0.000 2.462 997 A HA 0.488 4.808 4.320 0.000 0.000 0.243 997 A C 1.138 178.509 177.584 -0.355 0.000 1.076 997 A CA 0.248 52.119 52.037 -0.276 0.000 0.773 997 A CB 0.143 18.927 19.000 -0.360 0.000 1.010 997 A HN 0.620 nan 8.150 nan 0.000 0.493 998 T N -1.532 112.791 114.554 -0.385 0.000 3.084 998 T HA 0.440 4.790 4.350 0.000 0.000 0.270 998 T C 0.299 174.744 174.700 -0.426 0.000 1.008 998 T CA 0.468 62.412 62.100 -0.260 0.000 0.900 998 T CB -0.733 68.084 68.868 -0.085 0.000 1.084 998 T HN 1.497 nan 8.240 nan 0.000 0.538 999 S N -0.415 114.739 115.700 -0.910 0.000 2.638 999 S HA 0.542 5.012 4.470 0.000 0.000 0.274 999 S C 0.630 174.237 174.600 -1.654 0.000 1.157 999 S CA -1.058 56.531 58.200 -1.019 0.000 0.826 999 S CB 2.222 65.116 63.200 -0.510 0.000 1.139 999 S HN 0.113 nan 8.310 nan 0.000 0.474 1000 R N 0.352 119.938 120.500 -1.523 0.000 2.073 1000 R HA -0.044 4.296 4.340 0.000 0.000 0.234 1000 R C 2.292 177.782 176.300 -1.351 0.000 1.134 1000 R CA 1.765 56.908 56.100 -1.595 0.000 0.952 1000 R CB -1.122 28.400 30.300 -1.296 0.000 0.850 1000 R HN 0.840 nan 8.270 nan 0.000 0.433 1001 A N 0.874 123.178 122.820 -0.860 0.000 1.917 1001 A HA -0.182 4.138 4.320 0.000 0.000 0.219 1001 A C 2.362 179.702 177.584 -0.408 0.000 1.182 1001 A CA 1.990 53.719 52.037 -0.514 0.000 0.633 1001 A CB -0.803 18.013 19.000 -0.307 0.000 0.819 1001 A HN 0.571 nan 8.150 nan 0.000 0.448 1002 A N -0.843 121.688 122.820 -0.482 0.000 1.930 1002 A HA 0.028 4.348 4.320 0.000 0.000 0.217 1002 A C 2.126 179.503 177.584 -0.345 0.000 1.175 1002 A CA 1.644 53.459 52.037 -0.369 0.000 0.627 1002 A CB -0.551 18.218 19.000 -0.384 0.000 0.815 1002 A HN 0.682 nan 8.150 nan 0.000 0.443 1003 L N -1.292 119.610 121.223 -0.534 0.000 2.017 1003 L HA -0.076 4.264 4.340 0.000 0.000 0.208 1003 L C 2.151 179.046 176.870 0.042 0.000 1.073 1003 L CA 1.879 56.536 54.840 -0.305 0.000 0.745 1003 L CB -0.718 41.068 42.059 -0.456 0.000 0.894 1003 L HN 0.326 nan 8.230 nan 0.000 0.432 1004 F N 0.350 120.174 119.950 -0.210 0.000 2.095 1004 F HA -0.202 4.325 4.527 0.000 0.000 0.298 1004 F C 2.560 178.356 175.800 -0.007 0.000 1.104 1004 F CA 1.430 59.386 58.000 -0.075 0.000 1.232 1004 F CB -1.297 37.596 39.000 -0.179 0.000 0.987 1004 F HN 0.302 nan 8.300 nan 0.000 0.475 1005 N N -0.596 118.178 118.700 0.123 0.000 2.402 1005 N HA -0.073 4.667 4.740 0.000 0.000 0.174 1005 N C 0.768 176.287 175.510 0.015 0.000 1.027 1005 N CA 1.114 54.196 53.050 0.053 0.000 0.891 1005 N CB 0.094 38.585 38.487 0.005 0.000 1.016 1005 N HN 0.254 nan 8.380 nan 0.000 0.439 1006 D N -0.225 120.162 120.400 -0.020 0.000 2.479 1006 D HA 0.095 4.735 4.640 0.000 0.000 0.221 1006 D C 0.943 177.222 176.300 -0.034 0.000 1.104 1006 D CA 0.056 54.032 54.000 -0.040 0.000 0.849 1006 D CB 0.234 40.988 40.800 -0.077 0.000 1.072 1006 D HN 0.015 nan 8.370 nan 0.000 0.502 1007 G N 1.164 109.952 108.800 -0.020 0.000 2.414 1007 G HA2 0.104 4.064 3.960 0.000 0.000 0.236 1007 G HA3 0.104 4.064 3.960 0.000 0.000 0.236 1007 G C 0.080 174.989 174.900 0.014 0.000 1.293 1007 G CA -0.118 44.981 45.100 -0.002 0.000 0.869 1007 G HN -0.028 nan 8.290 nan 0.000 0.556 1008 E N 1.119 121.313 120.200 -0.009 0.000 2.277 1008 E HA 0.087 4.437 4.350 0.000 0.000 0.274 1008 E C -0.163 176.423 176.600 -0.023 0.000 1.022 1008 E CA -0.788 55.602 56.400 -0.017 0.000 0.853 1008 E CB 0.854 30.537 29.700 -0.029 0.000 1.086 1008 E HN 0.395 nan 8.360 nan 0.000 0.397 1009 N N 0.912 119.588 118.700 -0.039 0.000 2.412 1009 N HA 0.038 4.778 4.740 0.000 0.000 0.258 1009 N C 0.826 176.302 175.510 -0.057 0.000 1.236 1009 N CA 1.177 54.184 53.050 -0.072 0.000 0.882 1009 N CB 0.841 39.284 38.487 -0.073 0.000 1.066 1009 N HN 0.854 nan 8.380 nan 0.000 0.465 1010 G N 1.118 109.880 108.800 -0.063 0.000 2.175 1010 G HA2 -0.233 3.727 3.960 0.000 0.000 0.244 1010 G HA3 -0.233 3.727 3.960 0.000 0.000 0.244 1010 G C -0.373 174.538 174.900 0.017 0.000 0.982 1010 G CA -0.212 44.874 45.100 -0.023 0.000 0.641 1010 G HN 0.571 nan 8.290 nan 0.000 0.527 1011 D N 0.445 120.851 120.400 0.009 0.000 2.255 1011 D HA 0.609 5.249 4.640 0.000 0.000 0.249 1011 D C 0.496 176.875 176.300 0.131 0.000 1.078 1011 D CA -0.037 53.958 54.000 -0.009 0.000 0.896 1011 D CB 0.617 41.415 40.800 -0.004 0.000 1.194 1011 D HN 0.410 nan 8.370 nan 0.000 0.429 1012 F N -0.168 119.868 119.950 0.143 0.000 2.538 1012 F HA 0.742 5.270 4.527 0.000 0.000 0.325 1012 F C -1.140 174.840 175.800 0.299 0.000 1.066 1012 F CA -1.439 56.690 58.000 0.215 0.000 0.946 1012 F CB 1.235 40.328 39.000 0.155 0.000 1.199 1012 F HN 0.253 nan 8.300 nan 0.000 0.473 1013 W N 4.437 125.974 121.300 0.396 0.000 2.715 1013 W HA 0.666 5.326 4.660 0.000 0.000 0.331 1013 W C -2.117 174.589 176.519 0.312 0.000 1.031 1013 W CA -1.682 55.801 57.345 0.231 0.000 1.237 1013 W CB 1.658 31.146 29.460 0.047 0.000 1.378 1013 W HN 0.549 nan 8.180 nan 0.000 0.454 1014 V N 6.385 126.199 119.914 -0.166 0.000 2.427 1014 V HA 0.063 4.184 4.120 0.000 0.000 0.268 1014 V C -0.184 175.380 176.094 -0.883 0.000 1.046 1014 V CA 0.037 62.144 62.300 -0.322 0.000 0.970 1014 V CB 0.826 32.608 31.823 -0.069 0.000 1.001 1014 V HN 0.461 nan 8.190 nan 0.000 0.476 1015 D N 4.717 124.614 120.400 -0.840 0.000 2.485 1015 D HA 0.156 4.796 4.640 0.000 0.000 0.229 1015 D C 1.173 177.264 176.300 -0.348 0.000 1.101 1015 D CA -0.515 52.905 54.000 -0.966 0.000 0.906 1015 D CB 1.244 41.471 40.800 -0.955 0.000 1.019 1015 D HN 0.573 nan 8.370 nan 0.000 0.516 1016 Q N 2.878 122.541 119.800 -0.229 0.000 2.311 1016 Q HA -0.143 4.198 4.340 0.000 0.000 0.203 1016 Q C 1.219 177.188 176.000 -0.052 0.000 0.954 1016 Q CA 1.034 56.777 55.803 -0.100 0.000 0.885 1016 Q CB -0.109 28.594 28.738 -0.058 0.000 0.963 1016 Q HN 0.671 nan 8.270 nan 0.000 0.471 1017 E N 1.144 121.320 120.200 -0.040 0.000 2.110 1017 E HA -0.126 4.224 4.350 0.000 0.000 0.193 1017 E C 0.915 177.522 176.600 0.013 0.000 0.988 1017 E CA 1.786 58.186 56.400 0.000 0.000 0.804 1017 E CB 0.196 29.913 29.700 0.028 0.000 0.745 1017 E HN 0.548 nan 8.360 nan 0.000 0.458 1018 T N -2.399 112.168 114.554 0.022 0.000 3.174 1018 T HA 0.097 4.448 4.350 0.000 0.000 0.269 1018 T C 0.090 174.809 174.700 0.031 0.000 1.017 1018 T CA 0.263 62.397 62.100 0.056 0.000 0.899 1018 T CB 0.238 69.182 68.868 0.126 0.000 1.077 1018 T HN 0.099 nan 8.240 nan 0.000 0.552 1019 D N 0.864 121.259 120.400 -0.009 0.000 2.686 1019 D HA -0.151 4.489 4.640 0.000 0.000 0.235 1019 D C -0.727 175.539 176.300 -0.056 0.000 1.160 1019 D CA 0.620 54.603 54.000 -0.029 0.000 0.645 1019 D CB -1.391 39.408 40.800 -0.002 0.000 1.039 1019 D HN 0.564 nan 8.370 nan 0.000 0.423 1020 S N -0.466 115.189 115.700 -0.075 0.000 2.599 1020 S HA 0.744 5.214 4.470 0.000 0.000 0.294 1020 S C -0.757 173.779 174.600 -0.107 0.000 1.094 1020 S CA -0.896 57.229 58.200 -0.126 0.000 0.931 1020 S CB 2.236 65.334 63.200 -0.172 0.000 1.093 1020 S HN 0.302 nan 8.310 nan 0.000 0.488 1021 L N 2.026 123.176 121.223 -0.121 0.000 2.325 1021 L HA 0.696 5.036 4.340 0.000 0.000 0.281 1021 L C -2.055 174.846 176.870 0.053 0.000 1.004 1021 L CA -0.183 54.651 54.840 -0.009 0.000 0.823 1021 L CB 0.550 42.583 42.059 -0.045 0.000 1.236 1021 L HN 0.700 nan 8.230 nan 0.000 0.415 1022 W N 5.878 127.248 121.300 0.116 0.000 2.520 1022 W HA 0.628 5.288 4.660 0.000 0.000 0.323 1022 W C -1.144 175.579 176.519 0.340 0.000 1.062 1022 W CA -0.465 57.046 57.345 0.277 0.000 1.215 1022 W CB 1.380 31.086 29.460 0.410 0.000 1.340 1022 W HN 0.204 nan 8.180 nan 0.000 0.516 1023 L N 3.351 124.884 121.223 0.516 0.000 2.333 1023 L HA 0.390 4.730 4.340 0.000 0.000 0.280 1023 L C -0.035 176.995 176.870 0.266 0.000 1.004 1023 L CA -1.269 53.784 54.840 0.355 0.000 0.820 1023 L CB 1.483 43.656 42.059 0.189 0.000 1.247 1023 L HN 0.295 nan 8.230 nan 0.000 0.416 1024 K N 4.140 124.626 120.400 0.143 0.000 2.240 1024 K HA 0.767 5.087 4.320 0.000 0.000 0.271 1024 K C -1.420 174.972 176.600 -0.346 0.000 1.018 1024 K CA -0.348 55.798 56.287 -0.235 0.000 0.874 1024 K CB 0.695 33.175 32.500 -0.034 0.000 1.098 1024 K HN 0.563 nan 8.250 nan 0.000 0.458 1025 L N 5.689 126.520 121.223 -0.655 0.000 2.388 1025 L HA 0.534 4.875 4.340 0.000 0.000 0.264 1025 L C -2.332 174.239 176.870 -0.497 0.000 0.998 1025 L CA -2.728 51.743 54.840 -0.615 0.000 0.817 1025 L CB 2.268 43.754 42.059 -0.956 0.000 1.338 1025 L HN 0.606 nan 8.230 nan 0.000 0.414 1026 P HA 0.067 nan 4.420 nan 0.000 0.272 1026 P C -0.069 177.296 177.300 0.108 0.000 1.223 1026 P CA -0.289 62.777 63.100 -0.057 0.000 0.784 1026 P CB 0.386 32.066 31.700 -0.033 0.000 0.923 1027 N N 1.038 119.844 118.700 0.177 0.000 2.149 1027 N HA -0.194 4.546 4.740 0.000 0.000 0.188 1027 N C 1.169 176.795 175.510 0.194 0.000 1.019 1027 N CA 1.425 54.655 53.050 0.300 0.000 0.857 1027 N CB -0.936 37.702 38.487 0.252 0.000 0.997 1027 N HN 0.220 nan 8.380 nan 0.000 0.426 1028 V N -0.731 119.241 119.914 0.097 0.000 2.913 1028 V HA -0.050 4.070 4.120 0.000 0.000 0.260 1028 V C 2.044 178.123 176.094 -0.024 0.000 1.098 1028 V CA 1.161 63.476 62.300 0.025 0.000 1.121 1028 V CB -0.750 31.078 31.823 0.008 0.000 0.714 1028 V HN 0.477 nan 8.190 nan 0.000 0.487 1029 V N -3.016 116.920 119.914 0.037 0.000 3.647 1029 V HA 0.209 4.329 4.120 0.000 0.000 0.279 1029 V C 2.099 178.144 176.094 -0.081 0.000 1.314 1029 V CA 0.857 63.161 62.300 0.005 0.000 1.125 1029 V CB 0.128 31.970 31.823 0.031 0.000 0.907 1029 V HN 0.401 nan 8.190 nan 0.000 0.434 1030 L N 2.055 123.172 121.223 -0.177 0.000 2.043 1030 L HA 0.036 4.376 4.340 0.000 0.000 0.212 1030 L C -0.227 176.317 176.870 -0.543 0.000 1.075 1030 L CA 2.717 57.118 54.840 -0.731 0.000 0.752 1030 L CB -1.550 40.154 42.059 -0.591 0.000 0.891 1030 L HN 0.347 nan 8.230 nan 0.000 0.432 1031 P HA 0.033 nan 4.420 nan 0.000 0.236 1031 P C -1.109 176.049 177.300 -0.237 0.000 1.177 1031 P CA 0.844 63.609 63.100 -0.558 0.000 0.773 1031 P CB -0.083 31.052 31.700 -0.942 0.000 0.878 1032 D N -1.198 119.106 120.400 -0.160 0.000 2.300 1032 D HA 0.434 5.074 4.640 0.000 0.000 0.218 1032 D C -1.461 174.832 176.300 -0.012 0.000 1.326 1032 D CA -0.599 53.366 54.000 -0.057 0.000 0.942 1032 D CB 0.652 41.410 40.800 -0.071 0.000 1.495 1032 D HN -0.038 nan 8.370 nan 0.000 0.545 1033 A N 1.244 124.104 122.820 0.067 0.000 2.574 1033 A HA 0.662 4.982 4.320 0.000 0.000 0.297 1033 A C -1.496 176.159 177.584 0.118 0.000 1.062 1033 A CA -0.741 51.347 52.037 0.085 0.000 0.686 1033 A CB 2.218 21.276 19.000 0.097 0.000 1.285 1033 A HN 0.339 nan 8.150 nan 0.000 0.403 1034 V N 2.793 122.756 119.914 0.081 0.000 2.407 1034 V HA 0.421 4.541 4.120 0.000 0.000 0.291 1034 V C -0.566 175.579 176.094 0.085 0.000 1.018 1034 V CA -0.094 62.255 62.300 0.081 0.000 0.842 1034 V CB 1.109 32.971 31.823 0.066 0.000 0.996 1034 V HN 0.683 nan 8.190 nan 0.000 0.426 1035 I N 4.008 124.637 120.570 0.098 0.000 2.330 1035 I HA 0.404 4.574 4.170 0.000 0.000 0.289 1035 I C 0.102 176.261 176.117 0.070 0.000 1.001 1035 I CA -0.029 61.323 61.300 0.086 0.000 1.193 1035 I CB 1.737 39.805 38.000 0.113 0.000 1.345 1035 I HN 0.481 nan 8.210 nan 0.000 0.461 1036 T N 7.370 121.974 114.554 0.083 0.000 2.821 1036 T HA 0.539 4.890 4.350 0.000 0.000 0.307 1036 T C -0.038 174.686 174.700 0.039 0.000 1.034 1036 T CA -0.285 61.853 62.100 0.064 0.000 0.953 1036 T CB 0.462 69.382 68.868 0.087 0.000 0.968 1036 T HN 0.265 nan 8.240 nan 0.000 0.462 1037 I N 2.790 123.361 120.570 0.002 0.000 2.336 1037 I HA 0.480 4.650 4.170 0.000 0.000 0.292 1037 I C 0.684 176.780 176.117 -0.035 0.000 0.991 1037 I CA -0.289 60.989 61.300 -0.036 0.000 1.227 1037 I CB 1.611 39.576 38.000 -0.058 0.000 1.366 1037 I HN 0.477 nan 8.210 nan 0.000 0.466 1038 T N 0.000 114.528 114.554 -0.043 0.000 3.816 1038 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1038 T CA 0.000 62.081 62.100 -0.031 0.000 1.349 1038 T CB 0.000 68.858 68.868 -0.016 0.000 0.612 1038 T HN 0.000 nan 8.240 nan 0.000 0.658