REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2x2i_1_A 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 0.000 174.666 174.700 -0.057 0.000 1.109 14 T CA 0.000 62.070 62.100 -0.050 0.000 1.349 14 T CB 0.000 68.831 68.868 -0.062 0.000 0.612 15 D N 2.876 123.258 120.400 -0.030 0.000 2.414 15 D HA 0.312 4.951 4.640 -0.001 0.000 0.242 15 D C 0.838 177.139 176.300 0.002 0.000 1.129 15 D CA 0.606 54.598 54.000 -0.014 0.000 0.885 15 D CB 0.358 41.159 40.800 0.002 0.000 1.198 15 D HN 0.441 nan 8.370 nan 0.000 0.437 16 N N 2.028 120.744 118.700 0.026 0.000 2.629 16 N HA -0.148 4.591 4.740 -0.001 0.000 0.278 16 N C -1.703 173.808 175.510 0.001 0.000 1.102 16 N CA -0.118 52.974 53.050 0.070 0.000 0.759 16 N CB -0.089 38.502 38.487 0.174 0.000 0.911 16 N HN 0.249 nan 8.380 nan 0.000 0.553 17 P HA -0.060 nan 4.420 nan 0.000 0.222 17 P C 0.118 177.379 177.300 -0.066 0.000 1.147 17 P CA 1.038 64.065 63.100 -0.122 0.000 0.790 17 P CB 0.255 31.775 31.700 -0.300 0.000 0.780 18 D N -0.875 119.507 120.400 -0.030 0.000 2.342 18 D HA 0.147 4.786 4.640 -0.001 0.000 0.221 18 D C 1.206 177.480 176.300 -0.043 0.000 1.101 18 D CA 0.374 54.356 54.000 -0.031 0.000 0.837 18 D CB -0.033 40.754 40.800 -0.022 0.000 0.938 18 D HN 0.130 nan 8.370 nan 0.000 0.508 19 G N 1.791 110.573 108.800 -0.029 0.000 2.225 19 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.267 19 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.267 19 G C 0.466 175.320 174.900 -0.077 0.000 1.024 19 G CA -0.327 44.753 45.100 -0.034 0.000 0.784 19 G HN 0.292 nan 8.290 nan 0.000 0.507 20 I N 0.755 121.242 120.570 -0.138 0.000 2.683 20 I HA 0.105 4.274 4.170 -0.001 0.000 0.286 20 I C 0.515 176.411 176.117 -0.368 0.000 1.175 20 I CA 0.029 61.129 61.300 -0.332 0.000 1.429 20 I CB 0.743 38.370 38.000 -0.620 0.000 1.371 20 I HN 0.215 nan 8.210 nan 0.000 0.569 21 D N 6.456 126.691 120.400 -0.275 0.000 2.359 21 D HA 0.211 4.851 4.640 -0.001 0.000 0.230 21 D C -0.900 175.291 176.300 -0.183 0.000 1.118 21 D CA -0.271 53.646 54.000 -0.139 0.000 0.844 21 D CB 0.312 41.084 40.800 -0.048 0.000 1.059 21 D HN 0.178 nan 8.370 nan 0.000 0.493 22 Y N 3.920 124.259 120.300 0.065 0.000 2.556 22 Y HA 0.180 4.730 4.550 -0.001 0.000 0.352 22 Y C 1.482 177.350 175.900 -0.053 0.000 1.006 22 Y CA -0.445 57.667 58.100 0.021 0.000 1.277 22 Y CB 0.978 39.360 38.460 -0.130 0.000 1.136 22 Y HN 0.275 nan 8.280 nan 0.000 0.523 23 K N 0.811 121.244 120.400 0.055 0.000 2.186 23 K HA 0.076 4.395 4.320 -0.001 0.000 0.202 23 K C 0.324 176.948 176.600 0.040 0.000 1.052 23 K CA 0.492 56.805 56.287 0.044 0.000 0.965 23 K CB 0.184 32.687 32.500 0.005 0.000 0.746 23 K HN 0.395 nan 8.250 nan 0.000 0.457 24 T N 0.683 115.236 114.554 -0.002 0.000 2.797 24 T HA 0.382 4.732 4.350 -0.001 0.000 0.279 24 T C -0.205 174.496 174.700 0.001 0.000 0.991 24 T CA -0.411 61.721 62.100 0.054 0.000 0.979 24 T CB 0.851 69.749 68.868 0.050 0.000 0.943 24 T HN 0.029 nan 8.240 nan 0.000 0.444 25 Y N 0.105 120.575 120.300 0.284 0.000 2.652 25 Y HA 0.258 4.807 4.550 -0.001 0.000 0.274 25 Y C 1.067 177.147 175.900 0.301 0.000 1.148 25 Y CA -0.510 57.763 58.100 0.287 0.000 1.219 25 Y CB 0.389 39.015 38.460 0.277 0.000 1.337 25 Y HN 0.470 nan 8.280 nan 0.000 0.490 26 D N 0.085 120.758 120.400 0.454 0.000 2.360 26 D HA -0.051 4.588 4.640 -0.001 0.000 0.242 26 D C -0.515 175.779 176.300 -0.010 0.000 1.184 26 D CA -0.128 54.130 54.000 0.429 0.000 0.930 26 D CB 0.356 41.468 40.800 0.519 0.000 1.161 26 D HN 0.017 nan 8.370 nan 0.000 0.447 27 Y N 0.934 120.741 120.300 -0.821 0.000 2.729 27 Y HA 0.128 4.677 4.550 -0.001 0.000 0.331 27 Y C -0.515 174.987 175.900 -0.662 0.000 1.208 27 Y CA 0.030 57.386 58.100 -1.239 0.000 1.521 27 Y CB 0.181 37.231 38.460 -2.351 0.000 1.233 27 Y HN -0.068 nan 8.280 nan 0.000 0.539 28 V N 8.386 127.767 119.914 -0.888 0.000 2.294 28 V HA 0.362 4.481 4.120 -0.001 0.000 0.272 28 V C 0.902 176.309 176.094 -1.145 0.000 1.027 28 V CA -0.400 61.479 62.300 -0.702 0.000 0.823 28 V CB 0.492 32.157 31.823 -0.263 0.000 1.030 28 V HN 1.080 nan 8.190 nan 0.000 0.457 29 G N 2.813 110.700 108.800 -1.521 0.000 2.690 29 G HA2 0.233 4.193 3.960 -0.001 0.000 0.239 29 G HA3 0.233 4.193 3.960 -0.001 0.000 0.239 29 G C 1.379 175.284 174.900 -1.659 0.000 1.233 29 G CA 0.204 43.960 45.100 -2.240 0.000 0.847 29 G HN 0.995 nan 8.290 nan 0.000 0.588 30 V N -1.991 117.146 119.914 -1.294 0.000 2.546 30 V HA -0.186 3.933 4.120 -0.001 0.000 0.254 30 V C 2.124 177.957 176.094 -0.434 0.000 1.076 30 V CA 2.176 64.164 62.300 -0.520 0.000 1.087 30 V CB -1.301 30.461 31.823 -0.102 0.000 0.674 30 V HN 0.922 nan 8.190 nan 0.000 0.470 31 W N 1.763 122.791 121.300 -0.454 0.000 2.595 31 W HA 0.444 5.103 4.660 -0.001 0.000 0.257 31 W C 2.038 178.384 176.519 -0.289 0.000 1.267 31 W CA 0.419 57.434 57.345 -0.550 0.000 1.300 31 W CB -1.260 27.401 29.460 -1.332 0.000 1.120 31 W HN 0.210 nan 8.180 nan 0.000 0.618 32 G N -0.777 107.883 108.800 -0.233 0.000 3.126 32 G HA2 0.097 4.057 3.960 -0.001 0.000 0.224 32 G HA3 0.097 4.057 3.960 -0.001 0.000 0.224 32 G C -0.595 174.239 174.900 -0.110 0.000 1.142 32 G CA -0.431 44.619 45.100 -0.083 0.000 0.759 32 G HN 0.126 nan 8.290 nan 0.000 0.550 33 F N 3.105 122.828 119.950 -0.378 0.000 2.404 33 F HA 0.513 5.039 4.527 -0.001 0.000 0.354 33 F C 0.294 175.963 175.800 -0.219 0.000 1.122 33 F CA -1.531 56.217 58.000 -0.420 0.000 1.080 33 F CB 1.802 40.219 39.000 -0.971 0.000 1.131 33 F HN -0.021 nan 8.300 nan 0.000 0.471 34 S N 6.089 121.388 115.700 -0.668 0.000 2.512 34 S HA 0.262 4.731 4.470 -0.001 0.000 0.161 34 S C -2.374 171.808 174.600 -0.696 0.000 1.383 34 S CA -0.786 57.146 58.200 -0.448 0.000 1.248 34 S CB 0.569 63.664 63.200 -0.174 0.000 1.488 34 S HN 0.487 nan 8.310 nan 0.000 0.382 35 P HA 0.050 nan 4.420 nan 0.000 0.225 35 P C 1.226 177.849 177.300 -1.128 0.000 1.156 35 P CA 0.376 62.397 63.100 -1.798 0.000 0.787 35 P CB 0.013 30.612 31.700 -1.835 0.000 0.802 36 L N -0.741 120.089 121.223 -0.655 0.000 2.551 36 L HA -0.022 4.317 4.340 -0.001 0.000 0.228 36 L C 2.610 179.313 176.870 -0.279 0.000 1.153 36 L CA 0.479 55.109 54.840 -0.350 0.000 0.851 36 L CB -0.957 41.023 42.059 -0.133 0.000 0.959 36 L HN -0.025 nan 8.230 nan 0.000 0.451 37 S N 0.547 116.052 115.700 -0.325 0.000 2.380 37 S HA -0.263 4.206 4.470 -0.001 0.000 0.229 37 S C 1.293 175.804 174.600 -0.149 0.000 1.043 37 S CA 1.698 59.782 58.200 -0.192 0.000 1.038 37 S CB -0.106 63.016 63.200 -0.130 0.000 0.872 37 S HN 0.652 nan 8.310 nan 0.000 0.456 38 N N -1.385 117.167 118.700 -0.246 0.000 2.885 38 N HA -0.133 4.606 4.740 -0.001 0.000 0.215 38 N C -0.094 175.469 175.510 0.088 0.000 0.893 38 N CA 1.852 54.841 53.050 -0.102 0.000 1.147 38 N CB -2.005 36.431 38.487 -0.085 0.000 0.967 38 N HN 0.429 nan 8.380 nan 0.000 0.601 39 T N 2.123 116.751 114.554 0.122 0.000 2.779 39 T HA 0.310 4.660 4.350 -0.001 0.000 0.296 39 T C 0.841 175.596 174.700 0.091 0.000 0.938 39 T CA 0.104 62.248 62.100 0.074 0.000 1.119 39 T CB 0.720 69.588 68.868 -0.001 0.000 0.891 39 T HN 0.290 nan 8.240 nan 0.000 0.526 40 N N 0.085 118.765 118.700 -0.034 0.000 2.948 40 N HA -0.133 4.607 4.740 -0.001 0.000 0.239 40 N C -1.015 174.346 175.510 -0.248 0.000 0.954 40 N CA 0.792 53.777 53.050 -0.109 0.000 0.941 40 N CB -1.385 37.013 38.487 -0.148 0.000 1.101 40 N HN 0.730 nan 8.380 nan 0.000 0.579 41 W N 0.367 121.529 121.300 -0.230 0.000 2.469 41 W HA 0.622 5.281 4.660 -0.001 0.000 0.320 41 W C 0.285 176.584 176.519 -0.367 0.000 1.086 41 W CA -0.476 56.726 57.345 -0.237 0.000 1.211 41 W CB 0.512 29.867 29.460 -0.175 0.000 1.298 41 W HN -0.136 nan 8.180 nan 0.000 0.525 42 F N 2.351 122.211 119.950 -0.149 0.000 2.404 42 F HA 0.672 5.199 4.527 -0.001 0.000 0.339 42 F C 0.588 176.362 175.800 -0.043 0.000 1.105 42 F CA -0.598 57.230 58.000 -0.286 0.000 1.087 42 F CB 1.071 39.452 39.000 -1.032 0.000 1.143 42 F HN 0.334 nan 8.300 nan 0.000 0.491 43 A N 1.894 124.891 122.820 0.295 0.000 2.498 43 A HA 0.819 5.139 4.320 -0.001 0.000 0.298 43 A C -1.026 176.674 177.584 0.194 0.000 1.075 43 A CA -0.780 51.425 52.037 0.280 0.000 0.714 43 A CB 0.875 19.965 19.000 0.150 0.000 1.299 43 A HN 0.968 nan 8.150 nan 0.000 0.407 44 A N -0.042 122.785 122.820 0.010 0.000 2.546 44 A HA 0.464 4.784 4.320 -0.001 0.000 0.243 44 A C 1.146 178.669 177.584 -0.101 0.000 1.063 44 A CA 0.668 52.518 52.037 -0.312 0.000 0.757 44 A CB -0.232 18.604 19.000 -0.274 0.000 0.991 44 A HN 1.938 nan 8.150 nan 0.000 0.503 45 G N 0.700 109.427 108.800 -0.123 0.000 2.692 45 G HA2 0.427 4.386 3.960 -0.001 0.000 0.201 45 G HA3 0.427 4.386 3.960 -0.001 0.000 0.201 45 G C 0.287 175.168 174.900 -0.031 0.000 1.063 45 G CA 0.877 45.955 45.100 -0.037 0.000 0.790 45 G HN 1.430 nan 8.290 nan 0.000 0.599 46 S N -0.748 114.908 115.700 -0.073 0.000 2.615 46 S HA 0.733 5.203 4.470 -0.001 0.000 0.269 46 S C -0.909 173.651 174.600 -0.065 0.000 1.161 46 S CA -0.059 58.121 58.200 -0.033 0.000 0.817 46 S CB 1.866 65.054 63.200 -0.020 0.000 1.131 46 S HN 1.110 nan 8.310 nan 0.000 0.467 47 S N -0.240 115.455 115.700 -0.009 0.000 2.547 47 S HA 0.830 5.299 4.470 -0.001 0.000 0.270 47 S C -1.006 173.585 174.600 -0.014 0.000 1.150 47 S CA -0.506 57.683 58.200 -0.019 0.000 0.850 47 S CB 1.348 64.569 63.200 0.034 0.000 1.118 47 S HN 1.525 nan 8.310 nan 0.000 0.461 48 T N 0.136 114.659 114.554 -0.052 0.000 2.856 48 T HA 0.769 5.118 4.350 -0.001 0.000 0.283 48 T C -3.146 171.459 174.700 -0.159 0.000 1.008 48 T CA -2.076 59.964 62.100 -0.099 0.000 0.997 48 T CB 0.998 69.809 68.868 -0.095 0.000 0.992 48 T HN 0.449 nan 8.240 nan 0.000 0.454 49 P HA 0.339 nan 4.420 nan 0.000 0.269 49 P C 0.695 177.783 177.300 -0.354 0.000 1.217 49 P CA -0.061 62.634 63.100 -0.675 0.000 0.783 49 P CB 0.285 31.177 31.700 -1.348 0.000 0.898 50 G N 0.211 108.899 108.800 -0.185 0.000 4.299 50 G HA2 0.510 4.469 3.960 -0.001 0.000 0.290 50 G HA3 0.510 4.469 3.960 -0.001 0.000 0.290 50 G C 0.220 175.182 174.900 0.103 0.000 1.019 50 G CA 0.233 45.330 45.100 -0.004 0.000 0.790 50 G HN 0.905 nan 8.290 nan 0.000 0.452 51 G N 0.057 108.966 108.800 0.182 0.000 2.707 51 G HA2 0.008 3.968 3.960 -0.001 0.000 0.686 51 G HA3 0.008 3.968 3.960 -0.001 0.000 0.686 51 G C -0.789 174.294 174.900 0.304 0.000 1.315 51 G CA -0.459 44.786 45.100 0.242 0.000 0.832 51 G HN 0.809 nan 8.290 nan 0.000 0.573 52 I N 1.139 121.840 120.570 0.219 0.000 2.534 52 I HA 0.486 4.655 4.170 -0.001 0.000 0.286 52 I C 0.387 176.577 176.117 0.122 0.000 1.094 52 I CA -0.372 61.022 61.300 0.157 0.000 1.055 52 I CB 2.326 40.390 38.000 0.105 0.000 1.225 52 I HN 0.941 nan 8.210 nan 0.000 0.435 53 T N 0.209 114.831 114.554 0.112 0.000 2.925 53 T HA 0.585 4.934 4.350 -0.001 0.000 0.285 53 T C 0.064 174.833 174.700 0.115 0.000 1.021 53 T CA -0.233 61.925 62.100 0.096 0.000 1.042 53 T CB 2.132 71.044 68.868 0.074 0.000 1.037 53 T HN 0.637 nan 8.240 nan 0.000 0.481 54 D N 0.528 120.992 120.400 0.108 0.000 3.452 54 D HA -0.194 4.445 4.640 -0.001 0.000 0.164 54 D C -0.067 176.447 176.300 0.357 0.000 1.074 54 D CA 1.946 56.016 54.000 0.118 0.000 1.069 54 D CB -0.894 39.928 40.800 0.036 0.000 0.527 54 D HN 0.774 nan 8.370 nan 0.000 0.558 55 W N 0.585 121.879 121.300 -0.009 0.000 3.005 55 W HA 0.358 5.018 4.660 -0.001 0.000 0.374 55 W C 0.100 176.593 176.519 -0.044 0.000 1.076 55 W CA 0.073 57.395 57.345 -0.039 0.000 1.794 55 W CB -0.297 29.143 29.460 -0.033 0.000 1.113 55 W HN -0.057 nan 8.180 nan 0.000 0.584 56 T N 1.531 116.205 114.554 0.200 0.000 2.744 56 T HA 0.658 5.008 4.350 -0.001 0.000 0.291 56 T C 0.185 174.955 174.700 0.117 0.000 0.957 56 T CA -0.152 62.031 62.100 0.140 0.000 1.002 56 T CB 1.454 70.402 68.868 0.134 0.000 0.919 56 T HN -0.049 nan 8.240 nan 0.000 0.468 57 A N 3.270 126.145 122.820 0.093 0.000 2.312 57 A HA 0.754 5.073 4.320 -0.001 0.000 0.328 57 A C 0.282 177.986 177.584 0.200 0.000 1.158 57 A CA -0.639 51.464 52.037 0.110 0.000 0.821 57 A CB 0.826 19.803 19.000 -0.037 0.000 1.170 57 A HN 0.667 nan 8.150 nan 0.000 0.490 58 T N 2.540 117.257 114.554 0.272 0.000 2.807 58 T HA 0.563 4.912 4.350 -0.001 0.000 0.279 58 T C -0.388 174.500 174.700 0.313 0.000 0.993 58 T CA -0.046 62.202 62.100 0.246 0.000 0.970 58 T CB 0.659 69.630 68.868 0.171 0.000 0.950 58 T HN 0.576 nan 8.240 nan 0.000 0.441 59 M N 3.416 123.166 119.600 0.251 0.000 2.227 59 M HA 0.387 4.867 4.480 -0.001 0.000 0.335 59 M C -0.048 176.289 176.300 0.061 0.000 1.053 59 M CA -0.825 54.592 55.300 0.196 0.000 0.973 59 M CB 1.214 33.974 32.600 0.266 0.000 1.623 59 M HN 0.313 nan 8.290 nan 0.000 0.434 60 N N 2.991 121.700 118.700 0.015 0.000 2.448 60 N HA 0.218 4.957 4.740 -0.001 0.000 0.250 60 N C -1.187 174.281 175.510 -0.070 0.000 1.136 60 N CA 0.061 53.100 53.050 -0.018 0.000 0.953 60 N CB 0.741 39.213 38.487 -0.025 0.000 1.251 60 N HN 0.354 nan 8.380 nan 0.000 0.502 61 V N 3.012 122.852 119.914 -0.124 0.000 2.439 61 V HA 0.214 4.333 4.120 -0.001 0.000 0.282 61 V C 0.410 176.303 176.094 -0.335 0.000 1.039 61 V CA -0.854 61.258 62.300 -0.314 0.000 0.913 61 V CB 1.280 32.727 31.823 -0.628 0.000 0.983 61 V HN 0.462 nan 8.190 nan 0.000 0.460 62 N N 4.291 122.795 118.700 -0.327 0.000 2.414 62 N HA 0.387 5.126 4.740 -0.001 0.000 0.256 62 N C -1.015 174.315 175.510 -0.300 0.000 1.029 62 N CA -0.059 52.871 53.050 -0.201 0.000 0.948 62 N CB 1.224 39.653 38.487 -0.097 0.000 1.102 62 N HN 0.435 nan 8.380 nan 0.000 0.496 63 F N 1.205 121.148 119.950 -0.012 0.000 2.405 63 F HA 0.259 4.786 4.527 -0.001 0.000 0.355 63 F C 0.804 176.774 175.800 0.282 0.000 1.121 63 F CA -0.673 57.370 58.000 0.071 0.000 1.112 63 F CB 1.140 40.138 39.000 -0.004 0.000 1.126 63 F HN 0.176 nan 8.300 nan 0.000 0.481 64 D N 2.883 123.526 120.400 0.404 0.000 2.181 64 D HA 0.238 4.877 4.640 -0.001 0.000 0.248 64 D C 0.078 176.446 176.300 0.114 0.000 1.020 64 D CA -0.631 53.551 54.000 0.303 0.000 0.891 64 D CB 1.439 42.309 40.800 0.117 0.000 1.187 64 D HN 0.244 nan 8.370 nan 0.000 0.443 65 R N 1.844 122.212 120.500 -0.220 0.000 2.370 65 R HA 0.150 4.489 4.340 -0.001 0.000 0.309 65 R C 1.312 177.497 176.300 -0.191 0.000 1.059 65 R CA -0.082 55.713 56.100 -0.510 0.000 0.981 65 R CB 0.464 30.459 30.300 -0.509 0.000 0.972 65 R HN 0.512 nan 8.270 nan 0.000 0.437 66 I N 1.718 122.210 120.570 -0.131 0.000 2.335 66 I HA -0.307 3.863 4.170 -0.001 0.000 0.251 66 I C 1.481 177.565 176.117 -0.056 0.000 1.129 66 I CA 1.480 62.747 61.300 -0.055 0.000 1.402 66 I CB -0.264 37.719 38.000 -0.028 0.000 1.069 66 I HN 0.517 nan 8.210 nan 0.000 0.424 67 D N -0.441 119.915 120.400 -0.073 0.000 2.328 67 D HA -0.066 4.573 4.640 -0.001 0.000 0.221 67 D C 0.413 176.681 176.300 -0.054 0.000 1.072 67 D CA 0.122 54.088 54.000 -0.056 0.000 0.850 67 D CB -0.448 40.321 40.800 -0.052 0.000 0.922 67 D HN 0.436 nan 8.370 nan 0.000 0.516 68 N N -0.171 118.491 118.700 -0.063 0.000 3.286 68 N HA 0.039 4.778 4.740 -0.001 0.000 0.169 68 N C -2.549 172.937 175.510 -0.040 0.000 1.375 68 N CA -0.613 52.410 53.050 -0.045 0.000 1.093 68 N CB 0.907 39.369 38.487 -0.042 0.000 1.659 68 N HN -0.221 nan 8.380 nan 0.000 0.629 69 P HA -0.074 nan 4.420 nan 0.000 0.236 69 P C 1.340 178.651 177.300 0.020 0.000 1.172 69 P CA 0.868 63.967 63.100 -0.002 0.000 0.759 69 P CB 0.085 31.785 31.700 0.000 0.000 0.843 70 S N -0.977 114.731 115.700 0.014 0.000 2.447 70 S HA -0.046 4.423 4.470 -0.001 0.000 0.233 70 S C 0.951 175.578 174.600 0.046 0.000 1.006 70 S CA 0.379 58.593 58.200 0.024 0.000 0.957 70 S CB -0.998 62.211 63.200 0.015 0.000 0.773 70 S HN 0.108 nan 8.310 nan 0.000 0.507 71 I N 2.129 122.731 120.570 0.054 0.000 2.337 71 I HA 0.370 4.540 4.170 -0.001 0.000 0.291 71 I C 0.189 176.440 176.117 0.223 0.000 1.046 71 I CA -0.094 61.271 61.300 0.108 0.000 1.324 71 I CB 1.009 39.056 38.000 0.078 0.000 1.409 71 I HN 0.087 nan 8.210 nan 0.000 0.494 72 T N 5.985 120.673 114.554 0.223 0.000 2.903 72 T HA 0.738 5.088 4.350 -0.001 0.000 0.299 72 T C -0.715 174.064 174.700 0.132 0.000 1.093 72 T CA -0.463 61.785 62.100 0.246 0.000 1.002 72 T CB 1.703 70.648 68.868 0.128 0.000 1.127 72 T HN 0.447 nan 8.240 nan 0.000 0.488 73 V N 1.544 121.482 119.914 0.041 0.000 3.160 73 V HA 0.776 4.895 4.120 -0.001 0.000 0.310 73 V C -1.166 174.864 176.094 -0.108 0.000 1.181 73 V CA -1.057 61.175 62.300 -0.113 0.000 1.047 73 V CB 1.883 33.545 31.823 -0.267 0.000 1.068 73 V HN 0.952 nan 8.190 nan 0.000 0.441 74 Q N 0.623 120.259 119.800 -0.273 0.000 2.340 74 Q HA 0.596 4.936 4.340 -0.001 0.000 0.268 74 Q C -1.716 174.015 176.000 -0.448 0.000 1.031 74 Q CA -0.625 55.056 55.803 -0.203 0.000 0.804 74 Q CB 1.615 30.272 28.738 -0.136 0.000 1.286 74 Q HN 1.013 nan 8.270 nan 0.000 0.448 75 H N 2.449 121.583 119.070 0.106 0.000 2.996 75 H HA 0.434 4.990 4.556 -0.001 0.000 0.368 75 H C -2.661 172.706 175.328 0.065 0.000 1.185 75 H CA -1.735 54.341 56.048 0.046 0.000 1.160 75 H CB 2.104 31.828 29.762 -0.064 0.000 1.820 75 H HN 0.531 nan 8.280 nan 0.000 0.547 76 P HA 0.242 nan 4.420 nan 0.000 0.292 76 P C -0.555 176.832 177.300 0.146 0.000 1.283 76 P CA -0.664 62.508 63.100 0.120 0.000 0.835 76 P CB 1.702 33.466 31.700 0.106 0.000 1.017 77 V N 3.497 123.463 119.914 0.087 0.000 2.459 77 V HA 0.319 4.438 4.120 -0.001 0.000 0.295 77 V C 0.333 176.538 176.094 0.184 0.000 1.029 77 V CA -0.571 61.801 62.300 0.119 0.000 0.874 77 V CB 1.289 33.026 31.823 -0.144 0.000 0.985 77 V HN 0.479 nan 8.190 nan 0.000 0.438 78 Q N 2.476 122.419 119.800 0.238 0.000 2.256 78 Q HA 0.573 4.913 4.340 -0.001 0.000 0.254 78 Q C -1.038 175.132 176.000 0.284 0.000 0.916 78 Q CA -0.406 55.535 55.803 0.230 0.000 0.932 78 Q CB 2.087 30.940 28.738 0.191 0.000 1.207 78 Q HN 0.653 nan 8.270 nan 0.000 0.426 79 V N 3.649 123.723 119.914 0.268 0.000 2.304 79 V HA 0.242 4.362 4.120 -0.001 0.000 0.278 79 V C -0.498 175.676 176.094 0.134 0.000 1.018 79 V CA -0.663 61.804 62.300 0.278 0.000 0.814 79 V CB 1.141 33.141 31.823 0.296 0.000 1.021 79 V HN 0.698 nan 8.190 nan 0.000 0.440 80 Q N 3.757 123.647 119.800 0.150 0.000 2.322 80 Q HA 0.568 4.908 4.340 -0.001 0.000 0.265 80 Q C -1.108 174.932 176.000 0.067 0.000 0.985 80 Q CA -0.567 55.298 55.803 0.104 0.000 0.849 80 Q CB 2.175 31.009 28.738 0.160 0.000 1.274 80 Q HN 0.553 nan 8.270 nan 0.000 0.449 81 V N 4.211 124.071 119.914 -0.089 0.000 2.521 81 V HA 0.027 4.146 4.120 -0.001 0.000 0.286 81 V C 1.319 177.592 176.094 0.299 0.000 1.034 81 V CA 0.894 63.133 62.300 -0.101 0.000 1.045 81 V CB 0.883 32.385 31.823 -0.535 0.000 0.974 81 V HN 1.066 nan 8.190 nan 0.000 0.480 82 T N 0.145 114.900 114.554 0.334 0.000 3.034 82 T HA 0.136 4.485 4.350 -0.001 0.000 0.248 82 T C 0.729 175.685 174.700 0.426 0.000 1.040 82 T CA 0.494 62.829 62.100 0.392 0.000 1.107 82 T CB 0.426 69.524 68.868 0.384 0.000 0.932 82 T HN 0.585 nan 8.240 nan 0.000 0.474 83 S N -0.161 115.779 115.700 0.400 0.000 2.680 83 S HA 0.359 4.828 4.470 -0.001 0.000 0.262 83 S C -0.152 174.654 174.600 0.344 0.000 1.138 83 S CA -0.891 57.556 58.200 0.411 0.000 1.072 83 S CB 0.697 64.100 63.200 0.339 0.000 1.097 83 S HN 0.336 nan 8.310 nan 0.000 0.468 84 Y N 5.623 126.055 120.300 0.220 0.000 2.053 84 Y HA -0.195 4.354 4.550 -0.001 0.000 0.277 84 Y C 1.903 177.885 175.900 0.136 0.000 1.159 84 Y CA 2.402 60.554 58.100 0.087 0.000 1.125 84 Y CB -0.150 38.327 38.460 0.029 0.000 0.969 84 Y HN 0.699 nan 8.280 nan 0.000 0.492 85 N N 0.377 119.324 118.700 0.412 0.000 2.166 85 N HA -0.164 4.575 4.740 -0.001 0.000 0.186 85 N C 0.422 176.049 175.510 0.195 0.000 1.019 85 N CA 1.433 54.654 53.050 0.285 0.000 0.856 85 N CB -0.425 38.235 38.487 0.288 0.000 0.993 85 N HN 0.496 nan 8.380 nan 0.000 0.426 86 N N 1.574 120.410 118.700 0.226 0.000 2.320 86 N HA 0.052 4.791 4.740 -0.001 0.000 0.237 86 N C -0.696 174.971 175.510 0.262 0.000 1.129 86 N CA -0.099 53.090 53.050 0.232 0.000 0.854 86 N CB -0.017 38.613 38.487 0.239 0.000 1.083 86 N HN 0.091 nan 8.380 nan 0.000 0.504 87 N N 1.435 120.260 118.700 0.207 0.000 2.678 87 N HA -0.157 4.583 4.740 -0.001 0.000 0.268 87 N C -0.809 174.893 175.510 0.320 0.000 1.010 87 N CA 0.861 54.037 53.050 0.210 0.000 0.784 87 N CB -1.021 37.598 38.487 0.219 0.000 0.905 87 N HN 0.388 nan 8.380 nan 0.000 0.552 88 S N -0.485 115.412 115.700 0.328 0.000 2.538 88 S HA 0.768 5.237 4.470 -0.001 0.000 0.288 88 S C -0.477 174.364 174.600 0.403 0.000 1.108 88 S CA -0.914 57.504 58.200 0.364 0.000 0.971 88 S CB 2.412 65.826 63.200 0.357 0.000 1.041 88 S HN 0.402 nan 8.310 nan 0.000 0.483 89 Y N 0.570 121.053 120.300 0.304 0.000 3.048 89 Y HA 0.841 5.390 4.550 -0.001 0.000 0.305 89 Y C -0.459 175.558 175.900 0.196 0.000 1.538 89 Y CA -1.440 56.789 58.100 0.215 0.000 1.082 89 Y CB 0.966 39.519 38.460 0.155 0.000 1.388 89 Y HN 0.937 nan 8.280 nan 0.000 0.557 90 R N 0.612 121.283 120.500 0.285 0.000 2.634 90 R HA 0.652 4.991 4.340 -0.001 0.000 0.263 90 R C -2.683 173.761 176.300 0.239 0.000 1.060 90 R CA -0.676 55.409 56.100 -0.025 0.000 0.898 90 R CB 2.434 32.618 30.300 -0.192 0.000 1.253 90 R HN 0.722 nan 8.270 nan 0.000 0.461 91 V N 4.204 124.214 119.914 0.160 0.000 2.577 91 V HA 0.642 4.761 4.120 -0.001 0.000 0.303 91 V C -0.613 175.704 176.094 0.372 0.000 1.042 91 V CA -0.829 61.721 62.300 0.417 0.000 0.872 91 V CB 1.641 33.879 31.823 0.692 0.000 0.998 91 V HN 0.907 nan 8.190 nan 0.000 0.423 92 R N 3.899 124.632 120.500 0.389 0.000 2.764 92 R HA 0.926 5.265 4.340 -0.001 0.000 0.270 92 R C -1.714 174.847 176.300 0.436 0.000 1.014 92 R CA -0.810 55.523 56.100 0.388 0.000 0.904 92 R CB 2.542 32.942 30.300 0.167 0.000 1.236 92 R HN 0.775 nan 8.270 nan 0.000 0.466 93 F N -0.904 119.174 119.950 0.214 0.000 2.708 93 F HA 0.473 4.999 4.527 -0.001 0.000 0.309 93 F C -2.208 173.586 175.800 -0.010 0.000 1.120 93 F CA -1.086 56.950 58.000 0.061 0.000 0.978 93 F CB 1.720 40.716 39.000 -0.007 0.000 1.283 93 F HN 0.580 nan 8.300 nan 0.000 0.439 94 N N 3.525 122.218 118.700 -0.011 0.000 2.443 94 N HA 0.537 5.276 4.740 -0.001 0.000 0.269 94 N C -2.395 172.954 175.510 -0.268 0.000 0.985 94 N CA -2.668 50.259 53.050 -0.204 0.000 0.921 94 N CB 2.395 40.797 38.487 -0.142 0.000 1.195 94 N HN 0.508 nan 8.380 nan 0.000 0.492 95 P HA 0.254 nan 4.420 nan 0.000 0.262 95 P C -0.557 176.293 177.300 -0.751 0.000 1.304 95 P CA 0.366 62.753 63.100 -1.188 0.000 0.859 95 P CB 0.754 31.537 31.700 -1.529 0.000 1.310 96 D N -0.455 119.703 120.400 -0.404 0.000 2.503 96 D HA 0.311 4.950 4.640 -0.001 0.000 0.218 96 D C 1.032 177.244 176.300 -0.147 0.000 1.183 96 D CA 0.370 54.224 54.000 -0.244 0.000 0.827 96 D CB 1.784 42.462 40.800 -0.203 0.000 1.034 96 D HN 0.183 nan 8.370 nan 0.000 0.510 97 G N 1.581 110.305 108.800 -0.127 0.000 2.343 97 G HA2 0.108 4.067 3.960 -0.001 0.000 0.289 97 G HA3 0.108 4.067 3.960 -0.001 0.000 0.289 97 G C -2.977 171.889 174.900 -0.056 0.000 1.295 97 G CA -0.924 44.132 45.100 -0.073 0.000 0.869 97 G HN -0.247 nan 8.290 nan 0.000 0.522 98 P HA 0.282 nan 4.420 nan 0.000 0.269 98 P C 0.104 177.380 177.300 -0.041 0.000 1.217 98 P CA 0.015 63.100 63.100 -0.024 0.000 0.783 98 P CB 0.675 32.361 31.700 -0.024 0.000 0.898 99 I N 1.716 122.284 120.570 -0.005 0.000 2.496 99 I HA 0.195 4.365 4.170 -0.001 0.000 0.285 99 I C 1.280 177.385 176.117 -0.020 0.000 1.080 99 I CA 0.117 61.417 61.300 0.000 0.000 1.404 99 I CB 0.203 38.237 38.000 0.056 0.000 1.403 99 I HN 0.286 nan 8.210 nan 0.000 0.539 100 R N 4.968 125.445 120.500 -0.038 0.000 2.502 100 R HA 0.202 4.541 4.340 -0.001 0.000 0.298 100 R C -1.213 175.161 176.300 0.124 0.000 1.018 100 R CA -0.748 55.325 56.100 -0.045 0.000 0.899 100 R CB 1.138 31.250 30.300 -0.313 0.000 1.181 100 R HN 0.535 nan 8.270 nan 0.000 0.444 101 D N 4.505 124.976 120.400 0.118 0.000 2.368 101 D HA -0.023 4.616 4.640 -0.001 0.000 0.268 101 D C 0.970 177.390 176.300 0.199 0.000 1.298 101 D CA 0.408 54.488 54.000 0.133 0.000 0.938 101 D CB 0.708 41.553 40.800 0.075 0.000 1.101 101 D HN 0.361 nan 8.370 nan 0.000 0.509 102 V N 1.821 121.822 119.914 0.145 0.000 3.209 102 V HA 0.056 4.175 4.120 -0.001 0.000 0.305 102 V C 1.215 177.267 176.094 -0.070 0.000 1.127 102 V CA 0.520 62.737 62.300 -0.139 0.000 1.235 102 V CB 0.754 32.377 31.823 -0.332 0.000 0.987 102 V HN 0.650 nan 8.190 nan 0.000 0.499 103 T N -0.378 114.105 114.554 -0.119 0.000 3.003 103 T HA 0.293 4.642 4.350 -0.001 0.000 0.261 103 T C 0.518 175.189 174.700 -0.049 0.000 1.003 103 T CA 0.299 62.373 62.100 -0.044 0.000 0.917 103 T CB -0.119 68.751 68.868 0.004 0.000 1.084 103 T HN 1.000 nan 8.240 nan 0.000 0.522 104 R N 0.173 120.608 120.500 -0.109 0.000 2.574 104 R HA 0.631 4.970 4.340 -0.001 0.000 0.288 104 R C -0.943 175.274 176.300 -0.138 0.000 1.004 104 R CA -0.282 55.784 56.100 -0.057 0.000 0.895 104 R CB 1.524 31.799 30.300 -0.043 0.000 1.191 104 R HN 0.350 nan 8.270 nan 0.000 0.444 105 G N 3.389 112.159 108.800 -0.050 0.000 2.336 105 G HA2 0.125 4.084 3.960 -0.001 0.000 0.300 105 G HA3 0.125 4.084 3.960 -0.001 0.000 0.300 105 G C -2.693 172.244 174.900 0.061 0.000 1.375 105 G CA -0.899 44.116 45.100 -0.143 0.000 0.885 105 G HN 0.350 nan 8.290 nan 0.000 0.599 106 P HA 0.011 nan 4.420 nan 0.000 0.213 106 P C 0.878 178.148 177.300 -0.049 0.000 1.170 106 P CA 1.119 64.219 63.100 -0.000 0.000 0.902 106 P CB 0.060 31.701 31.700 -0.100 0.000 0.789 107 I N 0.626 121.205 120.570 0.015 0.000 2.297 107 I HA 0.218 4.388 4.170 -0.001 0.000 0.291 107 I C 0.563 176.685 176.117 0.008 0.000 1.033 107 I CA -0.444 60.859 61.300 0.004 0.000 1.253 107 I CB 0.350 38.386 38.000 0.061 0.000 1.396 107 I HN -0.116 nan 8.210 nan 0.000 0.476 108 L N 5.444 126.637 121.223 -0.050 0.000 2.334 108 L HA 0.411 4.750 4.340 -0.001 0.000 0.270 108 L C 1.509 178.303 176.870 -0.126 0.000 1.018 108 L CA -0.743 54.039 54.840 -0.098 0.000 0.811 108 L CB 1.938 43.897 42.059 -0.167 0.000 1.271 108 L HN 0.530 nan 8.230 nan 0.000 0.443 109 K N 0.793 121.125 120.400 -0.113 0.000 2.063 109 K HA -0.204 4.115 4.320 -0.001 0.000 0.208 109 K C 1.591 178.093 176.600 -0.164 0.000 1.048 109 K CA 1.880 58.116 56.287 -0.085 0.000 0.928 109 K CB 0.178 32.650 32.500 -0.047 0.000 0.713 109 K HN 0.589 nan 8.250 nan 0.000 0.442 110 Q N -0.084 119.504 119.800 -0.353 0.000 2.297 110 Q HA -0.142 4.197 4.340 -0.001 0.000 0.204 110 Q C 1.795 177.507 176.000 -0.479 0.000 0.962 110 Q CA 1.128 56.656 55.803 -0.458 0.000 0.879 110 Q CB 0.023 28.353 28.738 -0.679 0.000 0.947 110 Q HN 0.315 nan 8.270 nan 0.000 0.462 111 Q N 0.303 119.790 119.800 -0.522 0.000 2.269 111 Q HA 0.025 4.364 4.340 -0.001 0.000 0.201 111 Q C 1.524 177.573 176.000 0.082 0.000 0.946 111 Q CA 0.927 56.660 55.803 -0.117 0.000 0.877 111 Q CB 0.068 28.780 28.738 -0.043 0.000 0.963 111 Q HN 0.426 nan 8.270 nan 0.000 0.472 112 L N 0.193 121.434 121.223 0.031 0.000 2.005 112 L HA -0.154 4.185 4.340 -0.001 0.000 0.207 112 L C 1.807 178.727 176.870 0.084 0.000 1.072 112 L CA 1.331 56.232 54.840 0.101 0.000 0.744 112 L CB -0.460 41.661 42.059 0.103 0.000 0.895 112 L HN 0.194 nan 8.230 nan 0.000 0.433 113 D N -0.889 119.531 120.400 0.033 0.000 2.158 113 D HA -0.251 4.388 4.640 -0.001 0.000 0.197 113 D C 1.691 178.025 176.300 0.056 0.000 0.995 113 D CA 1.199 55.201 54.000 0.004 0.000 0.846 113 D CB -0.171 40.623 40.800 -0.010 0.000 0.941 113 D HN 0.431 nan 8.370 nan 0.000 0.456 114 W N 1.134 122.416 121.300 -0.030 0.000 2.408 114 W HA -0.046 4.613 4.660 -0.001 0.000 0.311 114 W C 2.181 178.705 176.519 0.009 0.000 1.190 114 W CA 0.853 58.209 57.345 0.018 0.000 1.321 114 W CB -0.424 29.099 29.460 0.105 0.000 1.143 114 W HN -0.166 nan 8.180 nan 0.000 0.501 115 I N 0.795 121.622 120.570 0.429 0.000 2.087 115 I HA -0.430 3.740 4.170 -0.001 0.000 0.240 115 I C 2.732 178.812 176.117 -0.062 0.000 1.054 115 I CA 2.219 63.664 61.300 0.242 0.000 1.311 115 I CB -0.860 37.333 38.000 0.321 0.000 1.024 115 I HN 0.017 nan 8.210 nan 0.000 0.402 116 R N 0.291 120.724 120.500 -0.111 0.000 2.103 116 R HA -0.191 4.149 4.340 -0.001 0.000 0.242 116 R C 2.268 178.299 176.300 -0.449 0.000 1.142 116 R CA 2.221 58.071 56.100 -0.416 0.000 0.960 116 R CB -0.346 29.590 30.300 -0.608 0.000 0.858 116 R HN 0.320 nan 8.270 nan 0.000 0.439 117 T N 0.985 115.325 114.554 -0.356 0.000 2.708 117 T HA -0.123 4.226 4.350 -0.001 0.000 0.266 117 T C 1.739 176.232 174.700 -0.346 0.000 1.037 117 T CA 1.105 63.005 62.100 -0.334 0.000 1.146 117 T CB -0.113 68.578 68.868 -0.295 0.000 0.865 117 T HN 0.295 nan 8.240 nan 0.000 0.435 118 Q N 1.106 120.615 119.800 -0.484 0.000 2.002 118 Q HA -0.137 4.202 4.340 -0.001 0.000 0.204 118 Q C 2.327 178.186 176.000 -0.236 0.000 0.988 118 Q CA 1.567 57.094 55.803 -0.459 0.000 0.843 118 Q CB -0.433 27.858 28.738 -0.744 0.000 0.908 118 Q HN 0.651 nan 8.270 nan 0.000 0.420 119 E N 0.352 120.455 120.200 -0.161 0.000 2.160 119 E HA -0.141 4.208 4.350 -0.001 0.000 0.195 119 E C 2.185 178.771 176.600 -0.023 0.000 0.991 119 E CA 0.531 56.923 56.400 -0.013 0.000 0.810 119 E CB -0.086 29.714 29.700 0.168 0.000 0.742 119 E HN 0.259 nan 8.360 nan 0.000 0.466 120 L N 0.720 121.878 121.223 -0.109 0.000 2.093 120 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 120 L C 2.696 179.520 176.870 -0.077 0.000 1.085 120 L CA 1.244 56.032 54.840 -0.087 0.000 0.755 120 L CB -0.348 41.603 42.059 -0.181 0.000 0.904 120 L HN 0.192 nan 8.230 nan 0.000 0.435 121 S N -0.608 115.029 115.700 -0.105 0.000 2.423 121 S HA -0.179 4.291 4.470 -0.001 0.000 0.231 121 S C 1.534 176.100 174.600 -0.056 0.000 1.014 121 S CA 0.979 59.129 58.200 -0.083 0.000 0.965 121 S CB -0.315 62.824 63.200 -0.102 0.000 0.785 121 S HN 0.517 nan 8.310 nan 0.000 0.495 122 E N 0.890 121.058 120.200 -0.053 0.000 2.502 122 E HA 0.248 4.597 4.350 -0.001 0.000 0.194 122 E C 1.052 177.629 176.600 -0.038 0.000 1.062 122 E CA 0.149 56.530 56.400 -0.033 0.000 0.867 122 E CB -0.329 29.361 29.700 -0.016 0.000 0.888 122 E HN 0.721 nan 8.360 nan 0.000 0.510 123 G N 1.535 110.309 108.800 -0.044 0.000 2.212 123 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.255 123 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.255 123 G C 0.099 174.939 174.900 -0.100 0.000 1.062 123 G CA -0.166 44.906 45.100 -0.047 0.000 0.815 123 G HN 0.295 nan 8.290 nan 0.000 0.497 124 C N 0.490 119.710 119.300 -0.133 0.000 2.514 124 C HA 0.608 5.067 4.460 -0.001 0.000 0.392 124 C C 0.406 175.240 174.990 -0.261 0.000 1.294 124 C CA -0.519 58.256 59.018 -0.406 0.000 1.957 124 C CB 1.039 28.471 27.740 -0.512 0.000 2.541 124 C HN 0.552 nan 8.230 nan 0.000 0.569 125 D N 3.322 123.485 120.400 -0.394 0.000 2.505 125 D HA 0.350 4.989 4.640 -0.001 0.000 0.250 125 D C -1.357 174.861 176.300 -0.138 0.000 1.164 125 D CA -1.684 52.218 54.000 -0.163 0.000 0.870 125 D CB 1.701 42.464 40.800 -0.062 0.000 1.160 125 D HN 0.249 nan 8.370 nan 0.000 0.549 126 P HA 0.095 nan 4.420 nan 0.000 0.225 126 P C 0.758 178.020 177.300 -0.064 0.000 1.156 126 P CA 0.536 63.567 63.100 -0.114 0.000 0.787 126 P CB 0.214 31.550 31.700 -0.607 0.000 0.802 127 G N 1.097 109.840 108.800 -0.095 0.000 2.338 127 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.296 127 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.296 127 G C 0.233 175.103 174.900 -0.050 0.000 1.040 127 G CA -0.110 44.964 45.100 -0.044 0.000 1.004 127 G HN 0.239 nan 8.290 nan 0.000 0.509 128 M N 0.647 120.185 119.600 -0.103 0.000 2.390 128 M HA 0.231 4.710 4.480 -0.001 0.000 0.353 128 M C 0.720 176.949 176.300 -0.119 0.000 1.623 128 M CA 1.130 56.365 55.300 -0.110 0.000 1.065 128 M CB 0.149 32.641 32.600 -0.180 0.000 2.025 128 M HN 0.333 nan 8.290 nan 0.000 0.461 129 T N 3.309 117.774 114.554 -0.149 0.000 2.883 129 T HA 0.679 5.028 4.350 -0.001 0.000 0.301 129 T C -1.559 173.014 174.700 -0.212 0.000 1.158 129 T CA -0.542 61.482 62.100 -0.127 0.000 1.007 129 T CB 1.089 69.938 68.868 -0.031 0.000 1.186 129 T HN 0.346 nan 8.240 nan 0.000 0.499 130 F N 2.846 122.809 119.950 0.022 0.000 2.411 130 F HA 0.418 4.944 4.527 -0.001 0.000 0.352 130 F C 1.457 177.247 175.800 -0.017 0.000 1.123 130 F CA -0.568 57.439 58.000 0.012 0.000 1.044 130 F CB 1.630 40.635 39.000 0.008 0.000 1.135 130 F HN 0.670 nan 8.300 nan 0.000 0.461 131 T N -1.327 113.322 114.554 0.159 0.000 2.680 131 T HA 0.007 4.357 4.350 -0.001 0.000 0.314 131 T C 1.538 176.223 174.700 -0.026 0.000 1.045 131 T CA 0.027 62.155 62.100 0.047 0.000 1.025 131 T CB 0.856 69.743 68.868 0.032 0.000 1.000 131 T HN 0.581 nan 8.240 nan 0.000 0.535 132 S N -0.046 115.611 115.700 -0.072 0.000 2.399 132 S HA -0.135 4.334 4.470 -0.001 0.000 0.231 132 S C 1.683 176.161 174.600 -0.203 0.000 1.022 132 S CA 1.400 59.539 58.200 -0.102 0.000 0.983 132 S CB -0.811 62.344 63.200 -0.075 0.000 0.803 132 S HN 0.762 nan 8.310 nan 0.000 0.480 133 E N 0.374 120.353 120.200 -0.369 0.000 2.409 133 E HA 0.211 4.560 4.350 -0.001 0.000 0.198 133 E C 1.461 177.661 176.600 -0.667 0.000 1.024 133 E CA 0.654 56.670 56.400 -0.641 0.000 0.861 133 E CB -0.485 28.513 29.700 -1.169 0.000 0.788 133 E HN 0.640 nan 8.360 nan 0.000 0.521 134 G N -0.372 108.175 108.800 -0.423 0.000 2.157 134 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.239 134 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.239 134 G C -0.147 174.802 174.900 0.083 0.000 0.982 134 G CA -0.239 44.742 45.100 -0.198 0.000 0.650 134 G HN 0.130 nan 8.290 nan 0.000 0.527 135 F N -0.178 119.874 119.950 0.170 0.000 2.410 135 F HA 0.687 5.214 4.527 -0.001 0.000 0.334 135 F C 0.652 176.572 175.800 0.199 0.000 1.134 135 F CA -1.813 56.263 58.000 0.127 0.000 1.227 135 F CB 0.820 39.799 39.000 -0.035 0.000 1.194 135 F HN 0.082 nan 8.300 nan 0.000 0.571 136 L N 2.630 124.014 121.223 0.269 0.000 2.275 136 L HA 0.607 4.946 4.340 -0.001 0.000 0.288 136 L C -0.070 176.712 176.870 -0.147 0.000 1.046 136 L CA 0.041 54.867 54.840 -0.023 0.000 0.805 136 L CB 0.879 42.913 42.059 -0.042 0.000 1.193 136 L HN 0.779 nan 8.230 nan 0.000 0.426 137 T N 2.168 116.619 114.554 -0.172 0.000 2.876 137 T HA 0.803 5.152 4.350 -0.001 0.000 0.289 137 T C -0.534 174.070 174.700 -0.159 0.000 1.014 137 T CA -0.561 61.390 62.100 -0.247 0.000 0.986 137 T CB 1.409 70.168 68.868 -0.182 0.000 1.021 137 T HN 0.558 nan 8.240 nan 0.000 0.458 138 F N -0.778 119.017 119.950 -0.259 0.000 2.923 138 F HA 0.924 5.450 4.527 -0.001 0.000 0.323 138 F C -1.284 174.378 175.800 -0.231 0.000 1.189 138 F CA -1.370 56.482 58.000 -0.247 0.000 0.930 138 F CB 1.223 40.050 39.000 -0.289 0.000 1.414 138 F HN 0.643 nan 8.300 nan 0.000 0.496 139 E N 0.049 120.370 120.200 0.201 0.000 2.331 139 E HA 0.527 4.877 4.350 -0.001 0.000 0.275 139 E C -1.158 175.480 176.600 0.063 0.000 0.895 139 E CA -0.919 55.498 56.400 0.029 0.000 0.753 139 E CB 2.812 32.504 29.700 -0.012 0.000 1.216 139 E HN 0.850 nan 8.360 nan 0.000 0.434 140 T N -1.374 113.090 114.554 -0.150 0.000 2.819 140 T HA 0.323 4.673 4.350 -0.001 0.000 0.271 140 T C 1.055 175.189 174.700 -0.943 0.000 0.986 140 T CA -0.721 61.087 62.100 -0.486 0.000 0.989 140 T CB 1.110 69.882 68.868 -0.160 0.000 1.396 140 T HN 0.424 nan 8.240 nan 0.000 0.597 141 K N 0.318 120.059 120.400 -1.100 0.000 2.026 141 K HA -0.130 4.189 4.320 -0.001 0.000 0.208 141 K C 0.512 176.910 176.600 -0.337 0.000 1.048 141 K CA 2.200 58.004 56.287 -0.805 0.000 0.929 141 K CB -0.297 32.014 32.500 -0.314 0.000 0.713 141 K HN 0.681 nan 8.250 nan 0.000 0.439 142 D N -0.777 119.459 120.400 -0.275 0.000 2.503 142 D HA 0.209 4.849 4.640 -0.001 0.000 0.218 142 D C -0.629 175.501 176.300 -0.283 0.000 1.183 142 D CA -0.082 53.789 54.000 -0.215 0.000 0.827 142 D CB 0.786 41.492 40.800 -0.156 0.000 1.034 142 D HN 0.020 nan 8.370 nan 0.000 0.510 143 L N 0.744 121.785 121.223 -0.303 0.000 2.341 143 L HA 0.623 4.962 4.340 -0.001 0.000 0.267 143 L C -0.392 176.319 176.870 -0.265 0.000 1.009 143 L CA -0.875 53.784 54.840 -0.302 0.000 0.819 143 L CB 2.139 44.014 42.059 -0.308 0.000 1.323 143 L HN -0.091 nan 8.230 nan 0.000 0.425 144 S N 0.835 116.361 115.700 -0.290 0.000 2.566 144 S HA 0.840 5.309 4.470 -0.001 0.000 0.298 144 S C -0.738 173.576 174.600 -0.477 0.000 1.083 144 S CA -0.808 57.184 58.200 -0.346 0.000 0.978 144 S CB 2.509 65.546 63.200 -0.270 0.000 1.073 144 S HN 0.243 nan 8.310 nan 0.000 0.491 145 V N 2.446 121.916 119.914 -0.739 0.000 2.686 145 V HA 0.578 4.697 4.120 -0.001 0.000 0.306 145 V C -0.727 174.875 176.094 -0.820 0.000 1.065 145 V CA -0.634 61.122 62.300 -0.908 0.000 0.894 145 V CB 1.684 32.589 31.823 -1.531 0.000 1.004 145 V HN 0.977 nan 8.190 nan 0.000 0.424 146 I N 5.155 125.351 120.570 -0.624 0.000 2.569 146 I HA 0.680 4.849 4.170 -0.001 0.000 0.296 146 I C -1.445 174.274 176.117 -0.663 0.000 1.028 146 I CA -0.836 60.099 61.300 -0.609 0.000 1.082 146 I CB 1.936 39.588 38.000 -0.579 0.000 1.264 146 I HN 0.604 nan 8.210 nan 0.000 0.429 147 I N 7.179 127.382 120.570 -0.612 0.000 2.468 147 I HA 0.327 4.497 4.170 -0.001 0.000 0.285 147 I C -1.020 174.850 176.117 -0.412 0.000 1.039 147 I CA -0.361 60.640 61.300 -0.498 0.000 1.074 147 I CB 1.549 39.347 38.000 -0.336 0.000 1.228 147 I HN 0.502 nan 8.210 nan 0.000 0.436 148 Y N 3.127 123.310 120.300 -0.194 0.000 2.378 148 Y HA 0.377 4.927 4.550 -0.001 0.000 0.351 148 Y C 1.723 177.697 175.900 0.124 0.000 1.351 148 Y CA 0.221 58.190 58.100 -0.218 0.000 1.616 148 Y CB 0.237 38.421 38.460 -0.459 0.000 1.622 148 Y HN 0.591 nan 8.280 nan 0.000 0.568 149 G N 0.486 109.546 108.800 0.432 0.000 2.491 149 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.218 149 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.218 149 G C 1.050 176.075 174.900 0.209 0.000 1.180 149 G CA 1.235 46.531 45.100 0.327 0.000 0.774 149 G HN 0.688 nan 8.290 nan 0.000 0.562 150 N N -0.962 117.837 118.700 0.166 0.000 2.362 150 N HA 0.030 4.769 4.740 -0.001 0.000 0.204 150 N C 0.589 176.226 175.510 0.213 0.000 1.166 150 N CA -0.337 52.781 53.050 0.113 0.000 0.831 150 N CB -0.329 38.195 38.487 0.063 0.000 1.008 150 N HN 0.250 nan 8.380 nan 0.000 0.472 151 F N -0.552 119.422 119.950 0.039 0.000 2.795 151 F HA -0.244 4.282 4.527 -0.001 0.000 0.297 151 F C 0.131 175.975 175.800 0.073 0.000 0.699 151 F CA 0.131 58.162 58.000 0.051 0.000 1.384 151 F CB -1.643 37.370 39.000 0.022 0.000 1.672 151 F HN 0.177 nan 8.300 nan 0.000 0.345 152 K N 2.052 122.502 120.400 0.084 0.000 2.402 152 K HA 0.367 4.686 4.320 -0.001 0.000 0.285 152 K C -0.225 176.346 176.600 -0.047 0.000 1.054 152 K CA 0.639 56.955 56.287 0.048 0.000 1.001 152 K CB 0.461 33.017 32.500 0.093 0.000 0.946 152 K HN 0.185 nan 8.250 nan 0.000 0.473 153 T N 5.886 120.348 114.554 -0.154 0.000 2.779 153 T HA 0.420 4.769 4.350 -0.001 0.000 0.280 153 T C -0.510 174.066 174.700 -0.206 0.000 0.987 153 T CA -0.701 61.240 62.100 -0.265 0.000 0.966 153 T CB 0.843 69.507 68.868 -0.341 0.000 0.933 153 T HN 0.503 nan 8.240 nan 0.000 0.442 154 R N 1.881 122.234 120.500 -0.244 0.000 2.480 154 R HA 0.617 4.956 4.340 -0.001 0.000 0.306 154 R C -1.328 174.798 176.300 -0.290 0.000 0.958 154 R CA -0.644 55.327 56.100 -0.215 0.000 0.861 154 R CB 1.763 31.976 30.300 -0.145 0.000 1.171 154 R HN 0.391 nan 8.270 nan 0.000 0.445 155 V N 3.455 123.202 119.914 -0.277 0.000 2.313 155 V HA 0.288 4.407 4.120 -0.001 0.000 0.278 155 V C -0.034 175.896 176.094 -0.274 0.000 1.017 155 V CA -0.455 61.669 62.300 -0.294 0.000 0.823 155 V CB 1.476 33.133 31.823 -0.278 0.000 1.010 155 V HN 0.769 nan 8.190 nan 0.000 0.443 156 T N 4.660 119.049 114.554 -0.276 0.000 2.943 156 T HA 0.500 4.849 4.350 -0.001 0.000 0.284 156 T C -0.034 174.512 174.700 -0.257 0.000 1.015 156 T CA -0.549 61.402 62.100 -0.248 0.000 1.042 156 T CB 1.446 70.186 68.868 -0.213 0.000 1.055 156 T HN 0.626 nan 8.240 nan 0.000 0.500 157 R N 1.497 121.856 120.500 -0.236 0.000 2.246 157 R HA 0.304 4.644 4.340 -0.001 0.000 0.332 157 R C 1.037 177.231 176.300 -0.176 0.000 0.974 157 R CA -0.476 55.484 56.100 -0.234 0.000 0.837 157 R CB 0.327 30.500 30.300 -0.211 0.000 1.145 157 R HN 0.596 nan 8.270 nan 0.000 0.467 158 K N 0.899 121.196 120.400 -0.172 0.000 2.077 158 K HA -0.269 4.050 4.320 -0.001 0.000 0.213 158 K C 1.826 178.369 176.600 -0.096 0.000 1.051 158 K CA 2.528 58.739 56.287 -0.127 0.000 0.929 158 K CB -0.088 32.343 32.500 -0.115 0.000 0.715 158 K HN 0.702 nan 8.250 nan 0.000 0.451 159 S N 1.163 116.811 115.700 -0.086 0.000 2.383 159 S HA -0.139 4.330 4.470 -0.001 0.000 0.227 159 S C 1.247 175.814 174.600 -0.055 0.000 1.026 159 S CA 1.564 59.729 58.200 -0.058 0.000 0.981 159 S CB -0.153 63.023 63.200 -0.041 0.000 0.818 159 S HN 0.451 nan 8.310 nan 0.000 0.472 160 D N -1.028 119.331 120.400 -0.068 0.000 2.582 160 D HA 0.266 4.906 4.640 -0.001 0.000 0.246 160 D C 1.145 177.394 176.300 -0.085 0.000 1.334 160 D CA 0.201 54.161 54.000 -0.065 0.000 0.805 160 D CB -0.458 40.311 40.800 -0.052 0.000 1.087 160 D HN 0.502 nan 8.370 nan 0.000 0.499 161 G N 1.362 110.102 108.800 -0.100 0.000 2.200 161 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.267 161 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.267 161 G C 0.260 175.076 174.900 -0.141 0.000 0.993 161 G CA 0.671 45.702 45.100 -0.115 0.000 0.701 161 G HN 0.582 nan 8.290 nan 0.000 0.524 162 K N 0.491 120.796 120.400 -0.158 0.000 2.339 162 K HA 0.424 4.743 4.320 -0.001 0.000 0.286 162 K C 0.623 177.068 176.600 -0.258 0.000 1.050 162 K CA -0.615 55.548 56.287 -0.206 0.000 0.956 162 K CB 0.643 33.013 32.500 -0.215 0.000 0.990 162 K HN -0.012 nan 8.250 nan 0.000 0.475 163 V N 7.592 127.342 119.914 -0.272 0.000 2.446 163 V HA -0.015 4.104 4.120 -0.001 0.000 0.276 163 V C 1.267 177.124 176.094 -0.395 0.000 1.030 163 V CA 0.182 62.314 62.300 -0.281 0.000 1.033 163 V CB 0.214 31.901 31.823 -0.227 0.000 0.993 163 V HN 0.741 nan 8.190 nan 0.000 0.477 164 I N 1.589 121.936 120.570 -0.371 0.000 3.968 164 I HA 0.409 4.578 4.170 -0.001 0.000 0.328 164 I C 0.401 176.411 176.117 -0.178 0.000 1.290 164 I CA 0.583 61.605 61.300 -0.462 0.000 1.163 164 I CB 0.498 38.324 38.000 -0.290 0.000 1.024 164 I HN 0.527 nan 8.210 nan 0.000 0.413 165 M N 2.803 122.284 119.600 -0.199 0.000 2.389 165 M HA 0.348 4.827 4.480 -0.001 0.000 0.291 165 M C -2.225 173.958 176.300 -0.196 0.000 1.128 165 M CA -0.001 55.163 55.300 -0.226 0.000 0.942 165 M CB 2.626 34.801 32.600 -0.708 0.000 1.783 165 M HN 0.458 nan 8.290 nan 0.000 0.501 166 E N 2.271 122.411 120.200 -0.100 0.000 2.335 166 E HA 0.507 4.856 4.350 -0.001 0.000 0.280 166 E C -1.244 175.301 176.600 -0.093 0.000 0.918 166 E CA -1.003 55.333 56.400 -0.106 0.000 0.765 166 E CB 1.291 30.983 29.700 -0.014 0.000 1.218 166 E HN 0.651 nan 8.360 nan 0.000 0.425 167 N N 1.185 119.824 118.700 -0.101 0.000 2.347 167 N HA 0.194 4.934 4.740 -0.001 0.000 0.253 167 N C -0.846 174.675 175.510 0.018 0.000 1.274 167 N CA -0.453 52.585 53.050 -0.020 0.000 0.941 167 N CB 0.635 39.146 38.487 0.039 0.000 1.200 167 N HN 0.686 nan 8.380 nan 0.000 0.514 168 D N -2.014 118.423 120.400 0.060 0.000 2.217 168 D HA 0.332 4.971 4.640 -0.001 0.000 0.248 168 D C -1.231 175.099 176.300 0.050 0.000 1.008 168 D CA -0.481 53.546 54.000 0.046 0.000 0.914 168 D CB 1.041 41.874 40.800 0.056 0.000 1.182 168 D HN 0.537 nan 8.370 nan 0.000 0.451 169 E N 1.369 121.584 120.200 0.024 0.000 2.224 169 E HA 0.410 4.760 4.350 -0.001 0.000 0.265 169 E C -1.520 175.082 176.600 0.004 0.000 0.878 169 E CA -1.064 55.347 56.400 0.018 0.000 0.759 169 E CB 2.359 32.060 29.700 0.002 0.000 1.164 169 E HN 0.255 nan 8.360 nan 0.000 0.414 170 V N 3.264 123.179 119.914 0.002 0.000 2.427 170 V HA 0.617 4.736 4.120 -0.001 0.000 0.286 170 V C 0.280 176.367 176.094 -0.011 0.000 1.034 170 V CA -0.152 62.141 62.300 -0.012 0.000 0.893 170 V CB 1.334 33.143 31.823 -0.024 0.000 0.982 170 V HN 0.742 nan 8.190 nan 0.000 0.452 171 G N 4.255 113.046 108.800 -0.015 0.000 2.537 171 G HA2 0.575 4.535 3.960 -0.001 0.000 0.273 171 G HA3 0.575 4.535 3.960 -0.001 0.000 0.273 171 G C -0.010 174.881 174.900 -0.016 0.000 1.189 171 G CA 0.344 45.434 45.100 -0.016 0.000 0.881 171 G HN 1.014 nan 8.290 nan 0.000 0.535 172 T N -3.137 111.408 114.554 -0.015 0.000 2.858 172 T HA 0.605 4.954 4.350 -0.001 0.000 0.285 172 T C 1.611 176.303 174.700 -0.014 0.000 1.052 172 T CA 0.317 62.408 62.100 -0.015 0.000 1.009 172 T CB 1.390 70.250 68.868 -0.013 0.000 1.241 172 T HN 0.968 nan 8.240 nan 0.000 0.542 173 A N 0.935 123.747 122.820 -0.014 0.000 1.903 173 A HA 0.032 4.351 4.320 -0.001 0.000 0.219 173 A C 2.035 179.612 177.584 -0.011 0.000 1.191 173 A CA 2.759 54.788 52.037 -0.013 0.000 0.638 173 A CB -1.128 17.864 19.000 -0.012 0.000 0.823 173 A HN 1.825 nan 8.150 nan 0.000 0.451 174 S N -4.113 111.581 115.700 -0.010 0.000 2.752 174 S HA 0.122 4.591 4.470 -0.001 0.000 0.242 174 S C 0.458 175.054 174.600 -0.007 0.000 0.914 174 S CA 0.590 58.784 58.200 -0.009 0.000 1.427 174 S CB -0.561 62.634 63.200 -0.008 0.000 1.244 174 S HN 0.290 nan 8.310 nan 0.000 0.655 175 S N 2.189 117.885 115.700 -0.007 0.000 2.622 175 S HA 0.645 5.114 4.470 -0.001 0.000 0.236 175 S C 1.108 175.706 174.600 -0.003 0.000 0.956 175 S CA 0.101 58.298 58.200 -0.003 0.000 0.971 175 S CB -0.040 63.160 63.200 -0.001 0.000 0.782 175 S HN 1.531 nan 8.310 nan 0.000 0.468 176 G N 2.058 110.854 108.800 -0.007 0.000 2.725 176 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.220 176 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.220 176 G C -0.881 174.013 174.900 -0.009 0.000 1.357 176 G CA -0.954 44.140 45.100 -0.009 0.000 0.866 176 G HN 0.454 nan 8.290 nan 0.000 0.548 177 N N 0.751 119.445 118.700 -0.011 0.000 2.430 177 N HA 0.558 5.297 4.740 -0.001 0.000 0.292 177 N C -0.439 175.073 175.510 0.003 0.000 1.051 177 N CA -0.738 52.306 53.050 -0.009 0.000 0.917 177 N CB 1.186 39.661 38.487 -0.020 0.000 1.164 177 N HN 0.418 nan 8.380 nan 0.000 0.484 178 K N 1.410 121.816 120.400 0.010 0.000 2.263 178 K HA 0.243 4.562 4.320 -0.001 0.000 0.272 178 K C -0.718 175.909 176.600 0.046 0.000 1.033 178 K CA -0.527 55.776 56.287 0.027 0.000 0.884 178 K CB 1.257 33.774 32.500 0.029 0.000 1.107 178 K HN 0.531 nan 8.250 nan 0.000 0.460 179 C N 4.310 123.653 119.300 0.071 0.000 2.663 179 C HA 0.119 4.579 4.460 -0.001 0.000 0.398 179 C C 1.399 176.475 174.990 0.145 0.000 1.356 179 C CA -0.198 58.889 59.018 0.115 0.000 1.629 179 C CB -0.928 26.917 27.740 0.175 0.000 2.402 179 C HN 0.686 nan 8.230 nan 0.000 0.598 180 R N 3.345 123.921 120.500 0.126 0.000 2.325 180 R HA 0.062 4.402 4.340 -0.001 0.000 0.214 180 R C 2.056 178.493 176.300 0.230 0.000 0.961 180 R CA 0.536 56.716 56.100 0.132 0.000 1.086 180 R CB -0.012 30.314 30.300 0.043 0.000 1.037 180 R HN 0.970 nan 8.270 nan 0.000 0.493 181 G N 0.568 109.534 108.800 0.277 0.000 2.509 181 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.218 181 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.218 181 G C 0.531 175.737 174.900 0.509 0.000 1.124 181 G CA 0.427 45.767 45.100 0.400 0.000 0.776 181 G HN 0.122 nan 8.290 nan 0.000 0.547 182 L N 0.312 121.769 121.223 0.389 0.000 2.441 182 L HA 0.610 4.949 4.340 -0.001 0.000 0.270 182 L C -0.804 176.280 176.870 0.357 0.000 0.973 182 L CA -0.394 54.627 54.840 0.301 0.000 0.842 182 L CB 2.092 44.271 42.059 0.200 0.000 1.239 182 L HN 0.003 nan 8.230 nan 0.000 0.406 183 M N 4.679 124.525 119.600 0.411 0.000 2.371 183 M HA 0.584 5.063 4.480 -0.001 0.000 0.287 183 M C -1.259 175.408 176.300 0.612 0.000 1.149 183 M CA -0.490 55.081 55.300 0.452 0.000 0.929 183 M CB 2.566 35.409 32.600 0.405 0.000 1.683 183 M HN 0.417 nan 8.290 nan 0.000 0.470 184 F N -0.253 119.946 119.950 0.415 0.000 2.599 184 F HA 0.891 5.417 4.527 -0.001 0.000 0.311 184 F C -1.221 174.586 175.800 0.012 0.000 1.076 184 F CA -1.364 56.763 58.000 0.211 0.000 0.937 184 F CB 0.701 39.740 39.000 0.065 0.000 1.282 184 F HN 0.246 nan 8.300 nan 0.000 0.460 185 V N 2.038 121.816 119.914 -0.227 0.000 2.614 185 V HA 0.074 4.193 4.120 -0.001 0.000 0.291 185 V C 0.304 176.411 176.094 0.022 0.000 1.049 185 V CA -0.424 61.561 62.300 -0.525 0.000 1.038 185 V CB 0.725 32.083 31.823 -0.774 0.000 0.980 185 V HN 0.856 nan 8.190 nan 0.000 0.481 186 D N 3.233 123.661 120.400 0.045 0.000 2.658 186 D HA -0.098 4.542 4.640 -0.001 0.000 0.230 186 D C 1.044 177.401 176.300 0.095 0.000 1.118 186 D CA 0.092 54.247 54.000 0.259 0.000 0.848 186 D CB 0.589 41.428 40.800 0.065 0.000 1.160 186 D HN 0.359 nan 8.370 nan 0.000 0.497 187 R N 3.095 123.672 120.500 0.130 0.000 2.357 187 R HA 0.073 4.412 4.340 -0.001 0.000 0.202 187 R C 1.508 177.742 176.300 -0.110 0.000 1.047 187 R CA 0.194 56.284 56.100 -0.017 0.000 1.034 187 R CB -0.252 30.025 30.300 -0.039 0.000 0.875 187 R HN 0.542 nan 8.270 nan 0.000 0.473 188 L N -1.361 119.726 121.223 -0.227 0.000 2.341 188 L HA -0.040 4.300 4.340 -0.001 0.000 0.214 188 L C 0.620 177.240 176.870 -0.417 0.000 1.115 188 L CA 0.881 55.465 54.840 -0.427 0.000 0.820 188 L CB 0.061 41.676 42.059 -0.741 0.000 0.944 188 L HN 0.221 nan 8.230 nan 0.000 0.452 189 Y N -1.448 118.816 120.300 -0.060 0.000 2.499 189 Y HA 0.490 5.039 4.550 -0.001 0.000 0.253 189 Y C 0.940 176.759 175.900 -0.136 0.000 1.105 189 Y CA -0.237 57.807 58.100 -0.094 0.000 1.240 189 Y CB 0.741 39.126 38.460 -0.124 0.000 1.289 189 Y HN -0.024 nan 8.280 nan 0.000 0.534 190 G N -0.003 108.769 108.800 -0.047 0.000 2.325 190 G HA2 0.199 4.158 3.960 -0.001 0.000 0.295 190 G HA3 0.199 4.158 3.960 -0.001 0.000 0.295 190 G C -0.800 173.976 174.900 -0.207 0.000 1.274 190 G CA -0.600 44.412 45.100 -0.147 0.000 0.857 190 G HN 0.030 nan 8.290 nan 0.000 0.499 191 N N -0.426 118.078 118.700 -0.325 0.000 2.082 191 N HA 0.468 5.207 4.740 -0.001 0.000 0.228 191 N C 0.504 175.851 175.510 -0.272 0.000 1.341 191 N CA 0.206 53.040 53.050 -0.359 0.000 0.873 191 N CB 1.701 39.784 38.487 -0.673 0.000 1.137 191 N HN 0.805 nan 8.380 nan 0.000 0.505 192 A N 1.407 124.097 122.820 -0.217 0.000 2.466 192 A HA 0.493 4.812 4.320 -0.001 0.000 0.238 192 A C 0.329 178.022 177.584 0.182 0.000 1.074 192 A CA -0.154 51.904 52.037 0.035 0.000 0.774 192 A CB -0.124 19.002 19.000 0.211 0.000 1.015 192 A HN 0.384 nan 8.150 nan 0.000 0.498 193 I N -2.282 118.529 120.570 0.402 0.000 2.957 193 I HA 0.961 5.130 4.170 -0.001 0.000 0.310 193 I C -0.175 176.369 176.117 0.711 0.000 1.063 193 I CA -0.953 60.686 61.300 0.565 0.000 1.033 193 I CB 2.289 40.572 38.000 0.472 0.000 1.230 193 I HN 0.942 nan 8.210 nan 0.000 0.447 194 A N 1.996 125.260 122.820 0.739 0.000 2.567 194 A HA 0.754 5.073 4.320 -0.001 0.000 0.291 194 A C -1.272 176.699 177.584 0.645 0.000 1.048 194 A CA -0.460 51.917 52.037 0.567 0.000 0.661 194 A CB 1.431 20.573 19.000 0.237 0.000 1.288 194 A HN 0.849 nan 8.150 nan 0.000 0.424 195 S N -0.237 115.814 115.700 0.585 0.000 2.614 195 S HA 0.640 5.110 4.470 -0.001 0.000 0.275 195 S C -1.590 173.405 174.600 0.660 0.000 1.161 195 S CA -0.330 58.293 58.200 0.705 0.000 0.969 195 S CB 1.327 65.087 63.200 0.933 0.000 1.059 195 S HN 1.452 nan 8.310 nan 0.000 0.482 196 V N 5.302 125.521 119.914 0.508 0.000 2.448 196 V HA 0.603 4.723 4.120 -0.001 0.000 0.295 196 V C -0.386 175.907 176.094 0.332 0.000 1.025 196 V CA -0.951 61.610 62.300 0.435 0.000 0.859 196 V CB 1.828 33.802 31.823 0.253 0.000 0.988 196 V HN 0.834 nan 8.190 nan 0.000 0.431 197 N N 2.496 121.404 118.700 0.346 0.000 2.459 197 N HA 0.497 5.236 4.740 -0.001 0.000 0.288 197 N C -0.334 175.227 175.510 0.084 0.000 1.186 197 N CA -0.787 52.354 53.050 0.151 0.000 0.917 197 N CB 1.488 40.035 38.487 0.099 0.000 1.219 197 N HN 0.547 nan 8.380 nan 0.000 0.525 198 K N 0.607 120.976 120.400 -0.053 0.000 2.219 198 K HA 0.190 4.509 4.320 -0.001 0.000 0.258 198 K C -0.268 176.133 176.600 -0.330 0.000 1.008 198 K CA -0.200 55.929 56.287 -0.263 0.000 0.928 198 K CB 0.364 32.594 32.500 -0.450 0.000 0.983 198 K HN 0.440 nan 8.250 nan 0.000 0.484 199 N N 2.065 120.496 118.700 -0.447 0.000 2.581 199 N HA 0.143 4.882 4.740 -0.001 0.000 0.279 199 N C -1.420 173.963 175.510 -0.211 0.000 1.124 199 N CA -0.483 52.498 53.050 -0.115 0.000 0.833 199 N CB 0.299 38.849 38.487 0.105 0.000 1.338 199 N HN 0.338 nan 8.380 nan 0.000 0.533 200 F N 2.671 122.740 119.950 0.197 0.000 2.949 200 F HA 0.280 4.806 4.527 -0.001 0.000 0.291 200 F C 1.957 177.826 175.800 0.115 0.000 1.214 200 F CA -0.513 57.566 58.000 0.131 0.000 1.381 200 F CB 0.113 39.184 39.000 0.118 0.000 1.066 200 F HN 0.473 nan 8.300 nan 0.000 0.520 201 R N -0.676 119.969 120.500 0.242 0.000 2.148 201 R HA -0.028 4.311 4.340 -0.001 0.000 0.223 201 R C 0.808 177.182 176.300 0.123 0.000 1.088 201 R CA 1.196 57.409 56.100 0.188 0.000 0.985 201 R CB -0.289 30.142 30.300 0.219 0.000 0.880 201 R HN 0.147 nan 8.270 nan 0.000 0.451 202 N N 1.154 119.924 118.700 0.117 0.000 2.280 202 N HA -0.030 4.710 4.740 -0.001 0.000 0.192 202 N C -0.765 174.808 175.510 0.104 0.000 1.109 202 N CA 0.137 53.239 53.050 0.086 0.000 0.855 202 N CB 0.182 38.705 38.487 0.060 0.000 0.974 202 N HN 0.297 nan 8.380 nan 0.000 0.482 203 D N 0.415 120.909 120.400 0.158 0.000 2.401 203 D HA 0.186 4.825 4.640 -0.001 0.000 0.254 203 D C 1.250 177.601 176.300 0.085 0.000 1.192 203 D CA -0.140 53.947 54.000 0.144 0.000 0.885 203 D CB 1.001 41.918 40.800 0.196 0.000 1.147 203 D HN 0.140 nan 8.370 nan 0.000 0.478 204 A N 3.153 126.008 122.820 0.058 0.000 1.927 204 A HA -0.211 4.108 4.320 -0.001 0.000 0.220 204 A C 1.978 179.580 177.584 0.030 0.000 1.185 204 A CA 1.933 53.992 52.037 0.037 0.000 0.639 204 A CB -0.472 18.544 19.000 0.026 0.000 0.820 204 A HN 0.533 nan 8.150 nan 0.000 0.451 205 V N -1.137 118.793 119.914 0.027 0.000 2.825 205 V HA -0.063 4.056 4.120 -0.001 0.000 0.246 205 V C 2.250 178.363 176.094 0.031 0.000 1.068 205 V CA 1.743 64.054 62.300 0.019 0.000 1.088 205 V CB -0.406 31.420 31.823 0.005 0.000 0.733 205 V HN 0.479 nan 8.190 nan 0.000 0.468 206 K N -0.193 120.236 120.400 0.048 0.000 2.067 206 K HA 0.029 4.349 4.320 -0.001 0.000 0.203 206 K C 0.400 177.037 176.600 0.062 0.000 1.048 206 K CA 0.307 56.643 56.287 0.081 0.000 0.954 206 K CB -0.055 32.510 32.500 0.108 0.000 0.737 206 K HN 0.359 nan 8.250 nan 0.000 0.444 207 Q N 1.609 121.453 119.800 0.074 0.000 2.437 207 Q HA -0.202 4.138 4.340 -0.001 0.000 0.354 207 Q C -0.894 175.122 176.000 0.027 0.000 1.402 207 Q CA 0.250 56.085 55.803 0.053 0.000 1.020 207 Q CB -1.311 27.439 28.738 0.021 0.000 1.220 207 Q HN 0.297 nan 8.270 nan 0.000 0.368 208 E N -0.474 119.765 120.200 0.064 0.000 2.481 208 E HA 0.212 4.561 4.350 -0.001 0.000 0.263 208 E C 0.442 176.982 176.600 -0.101 0.000 0.992 208 E CA 0.848 57.215 56.400 -0.055 0.000 0.938 208 E CB 0.516 30.220 29.700 0.007 0.000 0.933 208 E HN 0.434 nan 8.360 nan 0.000 0.453 209 G N 2.963 111.621 108.800 -0.237 0.000 2.719 209 G HA2 0.488 4.447 3.960 -0.001 0.000 0.298 209 G HA3 0.488 4.447 3.960 -0.001 0.000 0.298 209 G C -1.383 173.371 174.900 -0.243 0.000 1.433 209 G CA -0.696 44.328 45.100 -0.127 0.000 1.034 209 G HN 0.355 nan 8.290 nan 0.000 0.517 210 F N 0.788 120.624 119.950 -0.189 0.000 2.397 210 F HA 0.725 5.251 4.527 -0.001 0.000 0.331 210 F C -0.016 175.604 175.800 -0.301 0.000 1.090 210 F CA -0.530 57.390 58.000 -0.134 0.000 1.065 210 F CB 1.749 40.666 39.000 -0.138 0.000 1.184 210 F HN 0.373 nan 8.300 nan 0.000 0.499 211 Y N -0.556 119.746 120.300 0.003 0.000 2.644 211 Y HA 0.693 5.242 4.550 -0.001 0.000 0.338 211 Y C 0.609 176.480 175.900 -0.048 0.000 1.119 211 Y CA -0.473 57.614 58.100 -0.022 0.000 1.060 211 Y CB 2.001 40.434 38.460 -0.046 0.000 1.294 211 Y HN 0.822 nan 8.280 nan 0.000 0.472 212 G N 0.451 109.366 108.800 0.191 0.000 2.715 212 G HA2 0.251 4.211 3.960 -0.001 0.000 0.221 212 G HA3 0.251 4.211 3.960 -0.001 0.000 0.221 212 G C 0.210 175.218 174.900 0.181 0.000 1.204 212 G CA 0.124 45.342 45.100 0.196 0.000 1.063 212 G HN 2.017 nan 8.290 nan 0.000 0.586 213 A N -0.575 122.368 122.820 0.204 0.000 2.869 213 A HA 0.363 4.683 4.320 -0.001 0.000 0.280 213 A C 2.261 179.950 177.584 0.174 0.000 1.458 213 A CA 1.544 53.678 52.037 0.161 0.000 0.776 213 A CB -1.775 17.270 19.000 0.074 0.000 1.028 213 A HN 3.131 nan 8.150 nan 0.000 0.547 214 G N -0.681 108.257 108.800 0.229 0.000 2.690 214 G HA2 -0.403 3.557 3.960 -0.001 0.000 0.334 214 G HA3 -0.403 3.557 3.960 -0.001 0.000 0.334 214 G C 0.595 175.567 174.900 0.121 0.000 1.250 214 G CA 1.130 46.358 45.100 0.212 0.000 0.994 214 G HN 1.245 nan 8.290 nan 0.000 0.549 215 E N 0.145 120.413 120.200 0.112 0.000 2.481 215 E HA 0.370 4.719 4.350 -0.001 0.000 0.198 215 E C 0.841 177.437 176.600 -0.007 0.000 1.027 215 E CA -0.136 56.280 56.400 0.027 0.000 0.900 215 E CB 0.567 30.283 29.700 0.026 0.000 0.993 215 E HN 0.351 nan 8.360 nan 0.000 0.482 216 V N 2.697 122.636 119.914 0.042 0.000 2.928 216 V HA -0.110 4.009 4.120 -0.001 0.000 0.307 216 V C 0.439 176.561 176.094 0.047 0.000 1.105 216 V CA 0.348 62.675 62.300 0.044 0.000 1.223 216 V CB 0.187 32.055 31.823 0.075 0.000 0.930 216 V HN 0.267 nan 8.190 nan 0.000 0.499 217 N N 1.418 120.161 118.700 0.071 0.000 2.269 217 N HA 0.572 5.312 4.740 -0.001 0.000 0.304 217 N C -1.202 174.446 175.510 0.231 0.000 1.072 217 N CA -0.290 52.847 53.050 0.146 0.000 0.802 217 N CB 1.951 40.511 38.487 0.123 0.000 1.348 217 N HN 0.784 nan 8.380 nan 0.000 0.484 218 C N 1.732 121.208 119.300 0.294 0.000 2.607 218 C HA 0.374 4.833 4.460 -0.001 0.000 0.350 218 C C -0.370 174.642 174.990 0.038 0.000 1.101 218 C CA -0.838 58.311 59.018 0.217 0.000 1.282 218 C CB 0.268 28.116 27.740 0.180 0.000 1.825 218 C HN 0.699 nan 8.230 nan 0.000 0.460 219 K N 3.355 123.666 120.400 -0.149 0.000 2.144 219 K HA 0.534 4.853 4.320 -0.001 0.000 0.270 219 K C -1.721 174.864 176.600 -0.026 0.000 1.005 219 K CA -0.347 55.673 56.287 -0.445 0.000 0.932 219 K CB 1.066 33.248 32.500 -0.529 0.000 1.021 219 K HN 0.738 nan 8.250 nan 0.000 0.462 220 Y N 4.133 124.337 120.300 -0.160 0.000 2.307 220 Y HA 0.087 4.637 4.550 -0.001 0.000 0.323 220 Y C -0.119 175.773 175.900 -0.013 0.000 1.100 220 Y CA -0.123 57.950 58.100 -0.045 0.000 1.140 220 Y CB 0.646 39.095 38.460 -0.018 0.000 1.159 220 Y HN 0.991 nan 8.280 nan 0.000 0.436 221 Q N 2.077 121.564 119.800 -0.522 0.000 1.823 221 Q HA -0.316 4.023 4.340 -0.001 0.000 0.353 221 Q C -0.432 175.507 176.000 -0.103 0.000 0.724 221 Q CA 2.006 57.602 55.803 -0.346 0.000 0.937 221 Q CB -0.948 27.548 28.738 -0.403 0.000 2.739 221 Q HN 0.804 nan 8.270 nan 0.000 0.718 222 D N 0.799 121.206 120.400 0.011 0.000 2.462 222 D HA 0.206 4.845 4.640 -0.001 0.000 0.221 222 D C -0.418 176.069 176.300 0.312 0.000 1.173 222 D CA 0.341 54.429 54.000 0.146 0.000 0.831 222 D CB 0.881 41.777 40.800 0.161 0.000 1.001 222 D HN 0.125 nan 8.370 nan 0.000 0.499 223 T N 0.337 115.017 114.554 0.210 0.000 2.861 223 T HA 0.300 4.649 4.350 -0.001 0.000 0.287 223 T C -0.647 174.107 174.700 0.090 0.000 1.003 223 T CA -0.454 61.816 62.100 0.283 0.000 0.977 223 T CB 1.599 70.695 68.868 0.380 0.000 0.996 223 T HN -0.134 nan 8.240 nan 0.000 0.448 224 Y N 3.063 123.419 120.300 0.094 0.000 2.316 224 Y HA 0.539 5.088 4.550 -0.001 0.000 0.331 224 Y C 0.798 176.740 175.900 0.070 0.000 1.083 224 Y CA -0.736 57.405 58.100 0.067 0.000 1.206 224 Y CB 0.458 38.918 38.460 0.001 0.000 1.195 224 Y HN 0.528 nan 8.280 nan 0.000 0.497 225 I N 0.442 121.116 120.570 0.173 0.000 3.133 225 I HA 0.446 4.615 4.170 -0.001 0.000 0.311 225 I C -0.075 176.096 176.117 0.090 0.000 1.072 225 I CA -1.011 60.351 61.300 0.104 0.000 1.015 225 I CB 1.679 39.700 38.000 0.036 0.000 1.233 225 I HN 0.543 nan 8.210 nan 0.000 0.473 226 L N 0.871 122.127 121.223 0.056 0.000 2.357 226 L HA 0.385 4.724 4.340 -0.001 0.000 0.211 226 L C 1.033 177.892 176.870 -0.018 0.000 1.075 226 L CA 0.973 55.851 54.840 0.064 0.000 0.830 226 L CB -0.130 42.002 42.059 0.121 0.000 0.996 226 L HN 0.741 nan 8.230 nan 0.000 0.467 227 E N 0.239 120.357 120.200 -0.136 0.000 2.383 227 E HA 0.107 4.456 4.350 -0.001 0.000 0.264 227 E C -0.277 176.171 176.600 -0.254 0.000 1.050 227 E CA -0.405 55.770 56.400 -0.374 0.000 0.896 227 E CB 0.545 29.985 29.700 -0.433 0.000 0.982 227 E HN 0.071 nan 8.360 nan 0.000 0.424 228 R N 2.466 122.796 120.500 -0.283 0.000 2.903 228 R HA 0.229 4.568 4.340 -0.001 0.000 0.363 228 R C -0.879 175.314 176.300 -0.179 0.000 1.161 228 R CA -0.196 55.802 56.100 -0.169 0.000 1.109 228 R CB 0.551 30.794 30.300 -0.096 0.000 1.399 228 R HN 0.322 nan 8.270 nan 0.000 0.587 229 T N -0.670 113.777 114.554 -0.178 0.000 2.867 229 T HA 0.424 4.774 4.350 -0.001 0.000 0.282 229 T C 0.776 175.347 174.700 -0.216 0.000 1.000 229 T CA 0.256 62.279 62.100 -0.129 0.000 1.042 229 T CB 1.691 70.554 68.868 -0.008 0.000 0.973 229 T HN 0.587 nan 8.240 nan 0.000 0.465 230 G N 2.766 111.408 108.800 -0.264 0.000 2.273 230 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.280 230 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.280 230 G C 0.040 174.750 174.900 -0.316 0.000 1.047 230 G CA 0.697 45.653 45.100 -0.240 0.000 0.869 230 G HN 0.972 nan 8.290 nan 0.000 0.502 231 I N -4.054 116.268 120.570 -0.413 0.000 2.994 231 I HA 0.884 5.054 4.170 -0.001 0.000 0.306 231 I C -0.125 175.787 176.117 -0.341 0.000 1.195 231 I CA -1.444 59.480 61.300 -0.626 0.000 1.001 231 I CB 2.318 39.719 38.000 -0.998 0.000 1.244 231 I HN 0.510 nan 8.210 nan 0.000 0.437 232 A N 5.427 128.206 122.820 -0.069 0.000 2.316 232 A HA 0.789 5.108 4.320 -0.001 0.000 0.324 232 A C -0.458 177.334 177.584 0.347 0.000 1.375 232 A CA -0.535 51.618 52.037 0.192 0.000 0.882 232 A CB 0.470 19.699 19.000 0.383 0.000 1.152 232 A HN 0.777 nan 8.150 nan 0.000 0.512 233 M N 0.886 120.580 119.600 0.156 0.000 2.613 233 M HA 0.632 5.111 4.480 -0.001 0.000 0.301 233 M C 0.236 176.585 176.300 0.081 0.000 1.205 233 M CA -0.286 55.102 55.300 0.148 0.000 0.950 233 M CB 2.216 34.856 32.600 0.066 0.000 1.585 233 M HN 0.575 nan 8.290 nan 0.000 0.490 234 T N 0.454 115.013 114.554 0.009 0.000 2.956 234 T HA 0.390 4.740 4.350 -0.001 0.000 0.312 234 T C -1.545 173.086 174.700 -0.115 0.000 1.151 234 T CA -0.956 61.044 62.100 -0.166 0.000 1.024 234 T CB 0.899 69.605 68.868 -0.271 0.000 1.140 234 T HN 0.646 nan 8.240 nan 0.000 0.473 235 N N 3.502 122.097 118.700 -0.176 0.000 2.426 235 N HA 0.353 5.093 4.740 -0.001 0.000 0.257 235 N C -1.518 173.987 175.510 -0.008 0.000 1.002 235 N CA -0.149 52.867 53.050 -0.057 0.000 0.942 235 N CB 1.134 39.602 38.487 -0.032 0.000 1.112 235 N HN 0.687 nan 8.380 nan 0.000 0.499 236 Y N 2.268 122.510 120.300 -0.096 0.000 2.555 236 Y HA 0.145 4.694 4.550 -0.001 0.000 0.307 236 Y C -0.946 174.962 175.900 0.012 0.000 1.138 236 Y CA -0.815 57.249 58.100 -0.059 0.000 1.335 236 Y CB -0.117 38.325 38.460 -0.030 0.000 1.115 236 Y HN 0.322 nan 8.280 nan 0.000 0.565 237 N N 3.174 121.791 118.700 -0.138 0.000 2.142 237 N HA -0.063 4.676 4.740 -0.001 0.000 0.282 237 N C -1.208 174.266 175.510 -0.060 0.000 1.342 237 N CA 1.255 54.258 53.050 -0.080 0.000 0.831 237 N CB -0.031 38.397 38.487 -0.099 0.000 1.083 237 N HN 0.559 nan 8.380 nan 0.000 0.492 238 Y N 0.179 120.380 120.300 -0.165 0.000 2.633 238 Y HA 0.239 4.788 4.550 -0.001 0.000 0.339 238 Y C -0.010 175.803 175.900 -0.146 0.000 1.045 238 Y CA -1.188 56.824 58.100 -0.147 0.000 1.098 238 Y CB 1.479 39.877 38.460 -0.104 0.000 1.296 238 Y HN 0.377 nan 8.280 nan 0.000 0.494 239 D N 1.795 122.087 120.400 -0.180 0.000 2.896 239 D HA 0.026 4.665 4.640 -0.001 0.000 0.240 239 D C -0.729 175.665 176.300 0.157 0.000 1.193 239 D CA 0.114 54.118 54.000 0.006 0.000 0.983 239 D CB -0.843 39.897 40.800 -0.100 0.000 1.074 239 D HN 0.377 nan 8.370 nan 0.000 0.496 240 N N 2.291 120.987 118.700 -0.006 0.000 3.298 240 N HA 0.072 4.812 4.740 -0.001 0.000 0.292 240 N C -0.503 175.135 175.510 0.214 0.000 1.271 240 N CA -0.438 52.664 53.050 0.087 0.000 1.184 240 N CB -0.314 38.128 38.487 -0.074 0.000 1.452 240 N HN 0.407 nan 8.380 nan 0.000 0.534 241 L N 1.984 123.377 121.223 0.285 0.000 2.534 241 L HA 0.116 4.455 4.340 -0.001 0.000 0.271 241 L C 0.355 177.355 176.870 0.217 0.000 1.178 241 L CA 0.551 55.571 54.840 0.300 0.000 0.907 241 L CB -0.155 42.071 42.059 0.278 0.000 1.164 241 L HN 0.693 nan 8.230 nan 0.000 0.482 242 N N 2.857 121.615 118.700 0.097 0.000 2.925 242 N HA -0.255 4.484 4.740 -0.001 0.000 0.244 242 N C -0.626 174.953 175.510 0.114 0.000 1.000 242 N CA 0.634 53.690 53.050 0.010 0.000 0.895 242 N CB -0.830 37.742 38.487 0.143 0.000 1.119 242 N HN 0.799 nan 8.380 nan 0.000 0.569 243 Y N -1.704 118.779 120.300 0.305 0.000 4.469 243 Y HA -0.284 4.265 4.550 -0.001 0.000 0.220 243 Y C 0.903 176.885 175.900 0.135 0.000 1.078 243 Y CA 1.310 59.519 58.100 0.182 0.000 1.881 243 Y CB -2.663 35.907 38.460 0.184 0.000 1.608 243 Y HN 0.673 nan 8.280 nan 0.000 0.634 244 N N -2.308 116.556 118.700 0.273 0.000 2.381 244 N HA 0.046 4.786 4.740 -0.001 0.000 0.257 244 N C -0.441 175.219 175.510 0.249 0.000 1.409 244 N CA -0.275 52.912 53.050 0.229 0.000 0.836 244 N CB 0.161 38.798 38.487 0.251 0.000 1.384 244 N HN 0.101 nan 8.380 nan 0.000 0.490 245 Q N 0.544 120.486 119.800 0.237 0.000 2.368 245 Q HA -0.143 4.197 4.340 -0.001 0.000 0.331 245 Q C 0.890 177.081 176.000 0.318 0.000 1.086 245 Q CA 0.256 56.227 55.803 0.280 0.000 1.031 245 Q CB 0.620 29.527 28.738 0.281 0.000 1.125 245 Q HN 0.543 nan 8.270 nan 0.000 0.389 246 W N 4.141 125.520 121.300 0.133 0.000 2.317 246 W HA -0.254 4.406 4.660 -0.001 0.000 0.318 246 W C 1.119 177.700 176.519 0.103 0.000 1.227 246 W CA 1.636 59.050 57.345 0.115 0.000 1.269 246 W CB 0.161 29.692 29.460 0.119 0.000 1.155 246 W HN 0.763 nan 8.180 nan 0.000 0.484 247 D N 0.493 120.993 120.400 0.166 0.000 2.315 247 D HA -0.221 4.418 4.640 -0.001 0.000 0.211 247 D C 1.764 178.090 176.300 0.044 0.000 0.977 247 D CA 1.186 55.206 54.000 0.032 0.000 0.894 247 D CB -1.150 39.741 40.800 0.152 0.000 0.910 247 D HN 0.300 nan 8.370 nan 0.000 0.490 248 L N 0.117 121.349 121.223 0.016 0.000 2.628 248 L HA 0.146 4.485 4.340 -0.001 0.000 0.229 248 L C 1.062 178.032 176.870 0.166 0.000 1.137 248 L CA -0.487 54.370 54.840 0.028 0.000 0.909 248 L CB -0.126 41.858 42.059 -0.125 0.000 1.137 248 L HN -0.018 nan 8.230 nan 0.000 0.470 249 R N 0.467 120.942 120.500 -0.041 0.000 2.594 249 R HA 0.319 4.658 4.340 -0.001 0.000 0.272 249 R C -2.498 173.632 176.300 -0.283 0.000 1.074 249 R CA -1.650 54.339 56.100 -0.184 0.000 1.105 249 R CB -0.621 29.360 30.300 -0.531 0.000 1.008 249 R HN -0.191 nan 8.270 nan 0.000 0.472 250 P HA 0.081 nan 4.420 nan 0.000 0.267 250 P C -2.396 174.445 177.300 -0.764 0.000 1.200 250 P CA -1.043 61.379 63.100 -1.130 0.000 0.772 250 P CB -0.031 31.268 31.700 -0.668 0.000 0.855 251 P HA -0.096 nan 4.420 nan 0.000 0.257 251 P C -0.415 176.694 177.300 -0.318 0.000 1.162 251 P CA 0.969 63.696 63.100 -0.622 0.000 0.762 251 P CB -0.502 30.843 31.700 -0.592 0.000 0.753 252 H N -1.760 117.204 119.070 -0.176 0.000 2.936 252 H HA -0.232 4.323 4.556 -0.001 0.000 0.276 252 H C 0.281 175.571 175.328 -0.063 0.000 1.216 252 H CA 0.331 56.322 56.048 -0.094 0.000 1.132 252 H CB -2.432 27.286 29.762 -0.073 0.000 1.303 252 H HN 0.621 nan 8.280 nan 0.000 0.370 253 H N 1.179 120.186 119.070 -0.105 0.000 2.819 253 H HA 0.290 4.845 4.556 -0.001 0.000 0.303 253 H C -0.238 175.111 175.328 0.035 0.000 1.058 253 H CA -0.270 55.742 56.048 -0.059 0.000 1.471 253 H CB 0.562 30.242 29.762 -0.137 0.000 1.480 253 H HN 0.227 nan 8.280 nan 0.000 0.517 254 D N 3.337 123.481 120.400 -0.426 0.000 2.185 254 D HA 0.504 5.143 4.640 -0.001 0.000 0.247 254 D C 0.416 176.592 176.300 -0.208 0.000 1.027 254 D CA 0.949 54.848 54.000 -0.169 0.000 0.861 254 D CB 1.640 42.401 40.800 -0.065 0.000 1.202 254 D HN 1.002 nan 8.370 nan 0.000 0.453 255 G N 0.454 109.316 108.800 0.103 0.000 2.698 255 G HA2 0.238 4.198 3.960 -0.001 0.000 0.225 255 G HA3 0.238 4.198 3.960 -0.001 0.000 0.225 255 G C -0.003 175.121 174.900 0.375 0.000 1.345 255 G CA -0.470 44.727 45.100 0.162 0.000 0.871 255 G HN 0.759 nan 8.290 nan 0.000 0.540 256 A N -0.997 122.003 122.820 0.300 0.000 2.448 256 A HA 0.560 4.879 4.320 -0.001 0.000 0.239 256 A C 0.305 178.236 177.584 0.579 0.000 1.080 256 A CA 1.037 53.289 52.037 0.358 0.000 0.779 256 A CB 0.831 19.964 19.000 0.222 0.000 1.026 256 A HN 2.189 nan 8.150 nan 0.000 0.499 257 L N 2.455 123.990 121.223 0.520 0.000 2.318 257 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 257 L C -0.573 176.461 176.870 0.274 0.000 1.008 257 L CA -0.451 54.600 54.840 0.352 0.000 0.846 257 L CB 0.758 42.971 42.059 0.256 0.000 1.220 257 L HN 0.691 nan 8.230 nan 0.000 0.423 258 N N 5.270 124.118 118.700 0.246 0.000 2.513 258 N HA 0.365 5.104 4.740 -0.001 0.000 0.274 258 N C -2.527 173.095 175.510 0.187 0.000 1.189 258 N CA -1.421 51.770 53.050 0.234 0.000 0.975 258 N CB 0.204 38.838 38.487 0.244 0.000 1.157 258 N HN 0.390 nan 8.380 nan 0.000 0.465 259 P HA 0.131 nan 4.420 nan 0.000 0.266 259 P C -0.398 176.999 177.300 0.162 0.000 1.195 259 P CA 0.667 63.876 63.100 0.182 0.000 0.768 259 P CB 0.632 32.439 31.700 0.178 0.000 0.838 260 D N -0.010 120.351 120.400 -0.064 0.000 2.851 260 D HA 0.050 4.689 4.640 -0.001 0.000 0.339 260 D C 0.365 176.481 176.300 -0.307 0.000 1.347 260 D CA -0.279 53.600 54.000 -0.202 0.000 0.888 260 D CB 0.238 40.758 40.800 -0.468 0.000 1.431 260 D HN 0.292 nan 8.370 nan 0.000 0.509 261 Y N 0.011 120.209 120.300 -0.170 0.000 2.457 261 Y HA 0.020 4.569 4.550 -0.001 0.000 0.292 261 Y C 1.600 177.508 175.900 0.013 0.000 1.125 261 Y CA 0.895 58.977 58.100 -0.029 0.000 1.254 261 Y CB -0.900 37.598 38.460 0.063 0.000 1.012 261 Y HN 0.350 nan 8.280 nan 0.000 0.555 262 Y N 0.102 120.357 120.300 -0.076 0.000 2.471 262 Y HA 0.471 5.020 4.550 -0.001 0.000 0.286 262 Y C -0.196 175.741 175.900 0.062 0.000 1.188 262 Y CA -1.736 56.416 58.100 0.087 0.000 1.286 262 Y CB -0.785 37.779 38.460 0.173 0.000 1.072 262 Y HN 0.002 nan 8.280 nan 0.000 0.517 263 I N 4.989 125.463 120.570 -0.160 0.000 2.336 263 I HA 0.322 4.491 4.170 -0.001 0.000 0.292 263 I C -2.259 173.846 176.117 -0.019 0.000 0.991 263 I CA -2.407 58.861 61.300 -0.053 0.000 1.227 263 I CB 1.718 39.649 38.000 -0.114 0.000 1.366 263 I HN -0.081 nan 8.210 nan 0.000 0.466 264 P HA 0.327 nan 4.420 nan 0.000 0.276 264 P C -0.783 176.501 177.300 -0.026 0.000 1.252 264 P CA -0.394 62.710 63.100 0.007 0.000 0.802 264 P CB 1.553 33.285 31.700 0.054 0.000 1.035 265 M N -0.047 119.540 119.600 -0.021 0.000 2.461 265 M HA 0.239 4.718 4.480 -0.001 0.000 0.253 265 M C 1.436 177.680 176.300 -0.095 0.000 0.930 265 M CA -0.449 54.790 55.300 -0.101 0.000 1.313 265 M CB -0.428 32.142 32.600 -0.050 0.000 1.437 265 M HN 0.236 nan 8.290 nan 0.000 0.713 266 Y N -1.101 119.239 120.300 0.067 0.000 2.475 266 Y HA 0.005 4.554 4.550 -0.001 0.000 0.289 266 Y C 0.334 176.301 175.900 0.111 0.000 1.121 266 Y CA 0.756 58.890 58.100 0.056 0.000 1.257 266 Y CB 0.092 38.535 38.460 -0.028 0.000 1.026 266 Y HN 0.333 nan 8.280 nan 0.000 0.555 267 Y N 0.010 120.378 120.300 0.113 0.000 2.391 267 Y HA 0.681 5.230 4.550 -0.001 0.000 0.341 267 Y C -0.714 175.243 175.900 0.096 0.000 0.965 267 Y CA -2.149 56.005 58.100 0.090 0.000 1.067 267 Y CB 1.188 39.681 38.460 0.055 0.000 1.199 267 Y HN -0.162 nan 8.280 nan 0.000 0.450 268 A N 4.637 127.242 122.820 -0.358 0.000 2.478 268 A HA 0.718 5.037 4.320 -0.001 0.000 0.327 268 A C -0.653 176.859 177.584 -0.120 0.000 1.431 268 A CA 0.040 52.015 52.037 -0.104 0.000 1.014 268 A CB -0.775 18.263 19.000 0.064 0.000 1.143 268 A HN 0.987 nan 8.150 nan 0.000 0.532 269 A N 4.903 127.753 122.820 0.050 0.000 2.709 269 A HA 0.668 4.987 4.320 -0.001 0.000 0.332 269 A C -2.766 174.949 177.584 0.219 0.000 1.241 269 A CA -1.442 50.670 52.037 0.126 0.000 0.782 269 A CB 0.572 19.730 19.000 0.262 0.000 1.109 269 A HN 0.483 nan 8.150 nan 0.000 0.472 270 P HA 0.118 nan 4.420 nan 0.000 0.252 270 P C -0.663 176.888 177.300 0.419 0.000 1.727 270 P CA 0.361 63.604 63.100 0.238 0.000 1.134 270 P CB -0.448 31.370 31.700 0.196 0.000 1.876 271 W N 5.364 126.712 121.300 0.079 0.000 3.372 271 W HA 0.534 5.193 4.660 -0.001 0.000 0.315 271 W C -2.750 173.784 176.519 0.026 0.000 1.223 271 W CA -0.916 56.464 57.345 0.058 0.000 1.202 271 W CB 1.593 31.060 29.460 0.012 0.000 1.367 271 W HN -0.072 nan 8.180 nan 0.000 0.531 272 L N 6.646 127.405 121.223 -0.775 0.000 2.493 272 L HA 0.469 4.809 4.340 -0.001 0.000 0.265 272 L C -0.508 175.886 176.870 -0.793 0.000 0.954 272 L CA -0.848 53.655 54.840 -0.561 0.000 0.844 272 L CB 2.564 44.531 42.059 -0.154 0.000 1.302 272 L HN 0.314 nan 8.230 nan 0.000 0.405 273 I N 3.660 123.898 120.570 -0.554 0.000 2.328 273 I HA 0.310 4.479 4.170 -0.001 0.000 0.287 273 I C -0.267 175.658 176.117 -0.319 0.000 1.012 273 I CA -0.730 60.295 61.300 -0.458 0.000 1.195 273 I CB 1.927 39.758 38.000 -0.281 0.000 1.350 273 I HN 0.194 nan 8.210 nan 0.000 0.464 274 V N 6.330 125.898 119.914 -0.577 0.000 2.498 274 V HA 0.226 4.345 4.120 -0.001 0.000 0.279 274 V C -0.031 175.719 176.094 -0.573 0.000 1.048 274 V CA -0.201 61.664 62.300 -0.725 0.000 0.967 274 V CB 1.505 32.604 31.823 -1.207 0.000 0.988 274 V HN 0.653 nan 8.190 nan 0.000 0.473 275 N N 3.438 121.863 118.700 -0.459 0.000 2.576 275 N HA 0.596 5.335 4.740 -0.001 0.000 0.269 275 N C -0.257 174.969 175.510 -0.474 0.000 1.058 275 N CA -0.056 52.729 53.050 -0.442 0.000 0.860 275 N CB 1.658 39.950 38.487 -0.324 0.000 1.249 275 N HN 0.776 nan 8.380 nan 0.000 0.525 276 G N 0.458 108.743 108.800 -0.858 0.000 2.511 276 G HA2 0.447 4.407 3.960 -0.001 0.000 0.318 276 G HA3 0.447 4.407 3.960 -0.001 0.000 0.318 276 G C -0.164 174.429 174.900 -0.512 0.000 1.210 276 G CA -0.519 44.173 45.100 -0.679 0.000 0.969 276 G HN 0.721 nan 8.290 nan 0.000 0.484 277 C N -0.377 118.862 119.300 -0.102 0.000 4.056 277 C HA -0.042 4.418 4.460 -0.001 0.000 0.302 277 C C 1.462 176.420 174.990 -0.054 0.000 1.356 277 C CA -0.420 58.601 59.018 0.005 0.000 2.074 277 C CB -2.837 24.995 27.740 0.154 0.000 1.328 277 C HN 1.275 nan 8.230 nan 0.000 0.684 278 A N 0.141 122.914 122.820 -0.079 0.000 2.488 278 A HA 0.511 4.830 4.320 -0.001 0.000 0.249 278 A C 1.458 179.018 177.584 -0.040 0.000 1.083 278 A CA 1.114 53.103 52.037 -0.080 0.000 0.768 278 A CB 0.045 19.003 19.000 -0.071 0.000 1.017 278 A HN 2.490 nan 8.150 nan 0.000 0.496 279 G N 1.810 110.589 108.800 -0.035 0.000 2.160 279 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.251 279 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.251 279 G C 0.362 175.262 174.900 -0.001 0.000 1.008 279 G CA 1.201 46.297 45.100 -0.007 0.000 0.724 279 G HN 2.283 nan 8.290 nan 0.000 0.514 280 T N -4.039 110.511 114.554 -0.006 0.000 2.864 280 T HA 0.735 5.084 4.350 -0.001 0.000 0.289 280 T C 1.623 176.326 174.700 0.005 0.000 1.082 280 T CA 0.683 62.785 62.100 0.003 0.000 1.009 280 T CB 1.247 70.120 68.868 0.007 0.000 1.234 280 T HN 0.891 nan 8.240 nan 0.000 0.526 281 S N 0.853 116.557 115.700 0.006 0.000 2.372 281 S HA -0.246 4.223 4.470 -0.001 0.000 0.227 281 S C 1.295 175.909 174.600 0.024 0.000 1.044 281 S CA 1.819 60.023 58.200 0.008 0.000 1.050 281 S CB -1.029 62.173 63.200 0.004 0.000 0.901 281 S HN 0.967 nan 8.310 nan 0.000 0.447 282 E N 1.572 121.793 120.200 0.035 0.000 2.335 282 E HA 0.188 4.537 4.350 -0.001 0.000 0.191 282 E C 0.458 177.138 176.600 0.134 0.000 1.077 282 E CA -0.401 56.035 56.400 0.060 0.000 1.010 282 E CB -0.176 29.547 29.700 0.038 0.000 1.141 282 E HN 0.645 nan 8.360 nan 0.000 0.452 283 Q N 1.579 121.441 119.800 0.104 0.000 2.373 283 Q HA 0.121 4.461 4.340 -0.001 0.000 0.255 283 Q C -1.166 174.949 176.000 0.191 0.000 0.980 283 Q CA -0.494 55.367 55.803 0.095 0.000 0.882 283 Q CB 0.502 29.227 28.738 -0.021 0.000 1.249 283 Q HN 0.426 nan 8.270 nan 0.000 0.438 284 Y N -0.757 119.554 120.300 0.017 0.000 2.504 284 Y HA 0.692 5.241 4.550 -0.001 0.000 0.344 284 Y C -1.463 174.424 175.900 -0.022 0.000 1.023 284 Y CA -1.000 57.146 58.100 0.075 0.000 1.020 284 Y CB 1.612 40.182 38.460 0.184 0.000 1.282 284 Y HN 0.441 nan 8.280 nan 0.000 0.454 285 S N 2.678 118.314 115.700 -0.107 0.000 2.536 285 S HA 0.695 5.165 4.470 -0.001 0.000 0.287 285 S C -1.735 172.796 174.600 -0.115 0.000 1.101 285 S CA -0.935 57.130 58.200 -0.226 0.000 0.950 285 S CB 1.492 64.519 63.200 -0.287 0.000 1.056 285 S HN 0.854 nan 8.310 nan 0.000 0.481 286 Y N -1.108 119.149 120.300 -0.072 0.000 2.504 286 Y HA 0.849 5.398 4.550 -0.001 0.000 0.344 286 Y C -0.132 175.747 175.900 -0.036 0.000 1.023 286 Y CA -1.193 56.914 58.100 0.011 0.000 1.020 286 Y CB 0.575 39.130 38.460 0.157 0.000 1.282 286 Y HN 0.794 nan 8.280 nan 0.000 0.454 287 G N 1.330 110.199 108.800 0.116 0.000 2.502 287 G HA2 0.425 4.384 3.960 -0.001 0.000 0.305 287 G HA3 0.425 4.384 3.960 -0.001 0.000 0.305 287 G C -2.187 172.804 174.900 0.152 0.000 1.190 287 G CA -0.620 44.322 45.100 -0.262 0.000 0.933 287 G HN 0.822 nan 8.290 nan 0.000 0.503 288 W N 1.677 122.727 121.300 -0.415 0.000 2.822 288 W HA 0.476 5.135 4.660 -0.001 0.000 0.317 288 W C -2.524 174.131 176.519 0.227 0.000 1.033 288 W CA -2.290 55.124 57.345 0.115 0.000 1.252 288 W CB 0.974 30.569 29.460 0.224 0.000 1.186 288 W HN 0.262 nan 8.180 nan 0.000 0.383 289 F N 7.766 128.033 119.950 0.528 0.000 2.388 289 F HA 0.500 5.026 4.527 -0.001 0.000 0.358 289 F C -0.327 175.633 175.800 0.267 0.000 1.122 289 F CA -1.638 56.610 58.000 0.414 0.000 1.056 289 F CB 1.191 40.425 39.000 0.391 0.000 1.155 289 F HN 0.228 nan 8.300 nan 0.000 0.461 290 M N 6.387 125.954 119.600 -0.054 0.000 2.151 290 M HA 0.196 4.675 4.480 -0.001 0.000 0.349 290 M C -0.578 175.265 176.300 -0.762 0.000 1.284 290 M CA -0.241 54.851 55.300 -0.346 0.000 1.173 290 M CB -0.039 32.425 32.600 -0.226 0.000 1.469 290 M HN 0.483 nan 8.290 nan 0.000 0.439 291 D N 5.201 124.963 120.400 -1.064 0.000 2.416 291 D HA 0.154 4.793 4.640 -0.001 0.000 0.240 291 D C -1.311 174.778 176.300 -0.352 0.000 1.250 291 D CA 0.530 53.924 54.000 -1.010 0.000 0.967 291 D CB 0.191 40.629 40.800 -0.604 0.000 1.059 291 D HN 0.696 nan 8.370 nan 0.000 0.512 292 N N 2.569 121.163 118.700 -0.177 0.000 2.484 292 N HA 0.150 4.889 4.740 -0.001 0.000 0.269 292 N C -0.182 175.219 175.510 -0.182 0.000 1.237 292 N CA -0.505 52.456 53.050 -0.149 0.000 0.838 292 N CB 1.940 40.347 38.487 -0.133 0.000 1.593 292 N HN 0.039 nan 8.380 nan 0.000 0.485 293 V N -0.785 118.963 119.914 -0.277 0.000 3.330 293 V HA 0.358 4.477 4.120 -0.001 0.000 0.309 293 V C 0.648 176.595 176.094 -0.245 0.000 1.481 293 V CA 0.078 62.120 62.300 -0.430 0.000 1.068 293 V CB -0.281 31.148 31.823 -0.657 0.000 0.935 293 V HN 0.572 nan 8.190 nan 0.000 0.453 294 S N -0.166 115.462 115.700 -0.121 0.000 2.681 294 S HA 0.406 4.875 4.470 -0.001 0.000 0.270 294 S C 0.129 174.709 174.600 -0.034 0.000 1.209 294 S CA -0.323 57.859 58.200 -0.030 0.000 0.988 294 S CB 0.991 64.258 63.200 0.112 0.000 1.006 294 S HN 0.612 nan 8.310 nan 0.000 0.558 295 Q N 1.107 120.924 119.800 0.029 0.000 2.320 295 Q HA 0.113 4.452 4.340 -0.001 0.000 0.311 295 Q C -0.210 175.573 176.000 -0.361 0.000 1.083 295 Q CA 0.078 55.836 55.803 -0.075 0.000 1.001 295 Q CB 0.085 28.845 28.738 0.037 0.000 1.074 295 Q HN 0.812 nan 8.270 nan 0.000 0.379 296 S N 3.495 118.915 115.700 -0.468 0.000 2.704 296 S HA 0.695 5.164 4.470 -0.001 0.000 0.305 296 S C -1.246 172.849 174.600 -0.842 0.000 1.107 296 S CA -0.727 57.177 58.200 -0.493 0.000 0.993 296 S CB 1.030 64.123 63.200 -0.179 0.000 1.110 296 S HN 0.533 nan 8.310 nan 0.000 0.534 297 Y N -0.676 119.480 120.300 -0.240 0.000 2.492 297 Y HA 0.649 5.198 4.550 -0.001 0.000 0.346 297 Y C -0.540 175.281 175.900 -0.131 0.000 0.997 297 Y CA -0.988 56.974 58.100 -0.229 0.000 1.025 297 Y CB 2.176 40.382 38.460 -0.424 0.000 1.263 297 Y HN 0.578 nan 8.280 nan 0.000 0.454 298 M N 3.352 122.945 119.600 -0.011 0.000 2.204 298 M HA 0.335 4.815 4.480 -0.001 0.000 0.293 298 M C -1.145 174.998 176.300 -0.261 0.000 0.994 298 M CA -0.356 54.838 55.300 -0.176 0.000 0.925 298 M CB 1.633 34.118 32.600 -0.192 0.000 1.577 298 M HN 0.518 nan 8.290 nan 0.000 0.439 299 N N 1.704 120.082 118.700 -0.536 0.000 2.483 299 N HA 0.298 5.038 4.740 -0.001 0.000 0.267 299 N C -0.366 174.751 175.510 -0.654 0.000 0.998 299 N CA -0.147 52.510 53.050 -0.654 0.000 0.918 299 N CB 1.569 39.400 38.487 -1.093 0.000 1.215 299 N HN 0.764 nan 8.380 nan 0.000 0.500 300 T N -0.191 114.015 114.554 -0.580 0.000 3.312 300 T HA 0.335 4.684 4.350 -0.001 0.000 0.251 300 T C 0.938 175.300 174.700 -0.564 0.000 1.012 300 T CA 0.035 61.647 62.100 -0.813 0.000 0.925 300 T CB -0.376 67.907 68.868 -0.975 0.000 1.049 300 T HN 0.661 nan 8.240 nan 0.000 0.583 301 G N 1.277 109.849 108.800 -0.380 0.000 2.392 301 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.215 301 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.215 301 G C -0.604 174.199 174.900 -0.161 0.000 1.097 301 G CA -0.427 44.543 45.100 -0.217 0.000 0.840 301 G HN 0.639 nan 8.290 nan 0.000 0.492 302 D N 0.701 121.009 120.400 -0.152 0.000 2.359 302 D HA 0.511 5.150 4.640 -0.001 0.000 0.230 302 D C 1.850 178.142 176.300 -0.013 0.000 1.118 302 D CA 0.305 54.251 54.000 -0.090 0.000 0.844 302 D CB 0.910 41.659 40.800 -0.084 0.000 1.059 302 D HN 0.248 nan 8.370 nan 0.000 0.493 303 T N 0.132 114.669 114.554 -0.028 0.000 3.072 303 T HA -0.035 4.314 4.350 -0.001 0.000 0.266 303 T C 0.817 175.496 174.700 -0.034 0.000 1.127 303 T CA 0.122 62.214 62.100 -0.014 0.000 1.107 303 T CB -0.514 68.336 68.868 -0.029 0.000 0.910 303 T HN 0.304 nan 8.240 nan 0.000 0.513 304 T N 3.155 117.648 114.554 -0.101 0.000 2.829 304 T HA 0.042 4.391 4.350 -0.001 0.000 0.293 304 T C -0.028 174.588 174.700 -0.140 0.000 0.970 304 T CA 0.007 61.881 62.100 -0.378 0.000 1.168 304 T CB -0.419 67.983 68.868 -0.777 0.000 0.911 304 T HN 0.621 nan 8.240 nan 0.000 0.535 305 W N 1.608 122.950 121.300 0.070 0.000 2.525 305 W HA -0.241 4.418 4.660 -0.001 0.000 0.288 305 W C 0.723 177.279 176.519 0.060 0.000 1.125 305 W CA 0.076 57.467 57.345 0.077 0.000 0.538 305 W CB -2.768 26.779 29.460 0.146 0.000 2.165 305 W HN 0.974 nan 8.180 nan 0.000 1.258 306 N N 0.243 119.047 118.700 0.174 0.000 2.701 306 N HA -0.271 4.468 4.740 -0.001 0.000 0.250 306 N C 1.052 176.647 175.510 0.141 0.000 1.046 306 N CA 1.660 54.778 53.050 0.114 0.000 0.733 306 N CB -0.649 37.882 38.487 0.074 0.000 0.973 306 N HN 0.406 nan 8.380 nan 0.000 0.541 307 S N -2.932 112.900 115.700 0.220 0.000 2.446 307 S HA 0.259 4.728 4.470 -0.001 0.000 0.225 307 S C 1.013 175.746 174.600 0.221 0.000 1.016 307 S CA 0.607 58.945 58.200 0.231 0.000 0.943 307 S CB 0.569 63.974 63.200 0.341 0.000 0.786 307 S HN 0.573 nan 8.310 nan 0.000 0.508 308 G N -0.105 108.786 108.800 0.151 0.000 2.725 308 G HA2 0.619 4.578 3.960 -0.001 0.000 0.288 308 G HA3 0.619 4.578 3.960 -0.001 0.000 0.288 308 G C -1.891 173.035 174.900 0.044 0.000 1.399 308 G CA -0.970 44.194 45.100 0.107 0.000 0.859 308 G HN 0.272 nan 8.290 nan 0.000 0.479 309 Q N -0.297 119.516 119.800 0.023 0.000 2.345 309 Q HA 0.310 4.649 4.340 -0.001 0.000 0.268 309 Q C 0.227 176.212 176.000 -0.024 0.000 1.054 309 Q CA -0.837 54.967 55.803 0.002 0.000 0.835 309 Q CB 3.033 31.775 28.738 0.007 0.000 1.339 309 Q HN 0.710 nan 8.270 nan 0.000 0.447 310 E N 1.006 121.191 120.200 -0.025 0.000 2.097 310 E HA -0.203 4.146 4.350 -0.001 0.000 0.196 310 E C -0.032 176.549 176.600 -0.031 0.000 1.000 310 E CA 1.336 57.716 56.400 -0.033 0.000 0.804 310 E CB 0.251 29.940 29.700 -0.019 0.000 0.740 310 E HN 0.520 nan 8.360 nan 0.000 0.454 311 D N -0.210 120.174 120.400 -0.026 0.000 2.491 311 D HA 0.195 4.834 4.640 -0.001 0.000 0.228 311 D C -0.034 176.229 176.300 -0.062 0.000 1.183 311 D CA 0.236 54.212 54.000 -0.041 0.000 0.827 311 D CB 0.327 41.106 40.800 -0.034 0.000 0.989 311 D HN 0.061 nan 8.370 nan 0.000 0.494 312 L N -0.069 121.133 121.223 -0.035 0.000 2.376 312 L HA 0.776 5.115 4.340 -0.001 0.000 0.258 312 L C -0.734 176.131 176.870 -0.008 0.000 1.013 312 L CA -1.117 53.725 54.840 0.003 0.000 0.822 312 L CB 2.286 44.377 42.059 0.052 0.000 1.388 312 L HN -0.173 nan 8.230 nan 0.000 0.413 313 A N 1.149 124.017 122.820 0.079 0.000 2.475 313 A HA 0.894 5.213 4.320 -0.001 0.000 0.301 313 A C -1.777 175.962 177.584 0.259 0.000 1.059 313 A CA -0.387 51.650 52.037 0.001 0.000 0.710 313 A CB 1.738 20.748 19.000 0.017 0.000 1.288 313 A HN 0.666 nan 8.150 nan 0.000 0.408 314 Y N -1.139 119.227 120.300 0.109 0.000 2.689 314 Y HA 0.872 5.421 4.550 -0.001 0.000 0.333 314 Y C -0.947 174.906 175.900 -0.078 0.000 1.190 314 Y CA -1.770 56.439 58.100 0.182 0.000 1.063 314 Y CB 1.099 39.664 38.460 0.176 0.000 1.294 314 Y HN 0.588 nan 8.280 nan 0.000 0.466 315 M N 0.906 120.697 119.600 0.317 0.000 2.619 315 M HA 0.801 5.280 4.480 -0.001 0.000 0.297 315 M C -0.489 176.042 176.300 0.384 0.000 1.229 315 M CA -0.641 54.742 55.300 0.138 0.000 0.860 315 M CB 2.652 35.092 32.600 -0.266 0.000 1.741 315 M HN 1.124 nan 8.290 nan 0.000 0.462 316 G N 0.420 109.405 108.800 0.308 0.000 2.550 316 G HA2 0.853 4.812 3.960 -0.001 0.000 0.293 316 G HA3 0.853 4.812 3.960 -0.001 0.000 0.293 316 G C -2.404 172.616 174.900 0.200 0.000 1.402 316 G CA -0.351 44.978 45.100 0.381 0.000 0.784 316 G HN 0.949 nan 8.290 nan 0.000 0.482 317 A N -1.023 121.961 122.820 0.273 0.000 2.609 317 A HA 0.696 5.015 4.320 -0.001 0.000 0.291 317 A C 0.322 178.059 177.584 0.256 0.000 1.096 317 A CA -0.303 51.827 52.037 0.156 0.000 0.684 317 A CB 1.571 20.615 19.000 0.073 0.000 1.282 317 A HN 0.417 nan 8.150 nan 0.000 0.412 318 Q N -0.692 119.235 119.800 0.212 0.000 2.297 318 Q HA 0.072 4.411 4.340 -0.001 0.000 0.204 318 Q C -0.660 175.267 176.000 -0.123 0.000 0.962 318 Q CA 1.592 57.483 55.803 0.147 0.000 0.879 318 Q CB -0.127 28.744 28.738 0.222 0.000 0.947 318 Q HN 0.655 nan 8.270 nan 0.000 0.462 319 Y N -2.154 118.197 120.300 0.085 0.000 2.677 319 Y HA 0.549 5.098 4.550 -0.001 0.000 0.334 319 Y C 0.717 176.628 175.900 0.019 0.000 1.154 319 Y CA -0.860 57.267 58.100 0.044 0.000 1.070 319 Y CB 1.146 39.630 38.460 0.041 0.000 1.294 319 Y HN -0.101 nan 8.280 nan 0.000 0.475 320 G N 0.418 109.325 108.800 0.179 0.000 2.568 320 G HA2 0.620 4.579 3.960 -0.001 0.000 0.293 320 G HA3 0.620 4.579 3.960 -0.001 0.000 0.293 320 G C -2.585 172.336 174.900 0.035 0.000 1.347 320 G CA -1.335 43.790 45.100 0.041 0.000 1.039 320 G HN 0.338 nan 8.290 nan 0.000 0.523 321 P HA 0.335 nan 4.420 nan 0.000 0.312 321 P C -1.352 175.869 177.300 -0.132 0.000 1.308 321 P CA -0.667 62.366 63.100 -0.112 0.000 0.743 321 P CB 0.891 32.528 31.700 -0.105 0.000 1.364 322 F N 0.653 120.328 119.950 -0.459 0.000 2.308 322 F HA 0.370 4.896 4.527 -0.001 0.000 0.370 322 F C -0.628 175.018 175.800 -0.257 0.000 1.100 322 F CA -0.354 57.375 58.000 -0.451 0.000 1.108 322 F CB 0.246 38.640 39.000 -1.009 0.000 1.293 322 F HN 0.021 nan 8.300 nan 0.000 0.478 323 D N 5.229 125.432 120.400 -0.328 0.000 2.757 323 D HA 0.281 4.920 4.640 -0.001 0.000 0.249 323 D C -1.689 174.410 176.300 -0.334 0.000 1.168 323 D CA -0.138 53.745 54.000 -0.196 0.000 0.870 323 D CB 1.924 42.662 40.800 -0.104 0.000 1.411 323 D HN 0.685 nan 8.370 nan 0.000 0.525 324 Q N 2.915 122.535 119.800 -0.301 0.000 2.320 324 Q HA 0.334 4.673 4.340 -0.001 0.000 0.272 324 Q C -1.755 173.973 176.000 -0.453 0.000 1.023 324 Q CA -0.628 54.979 55.803 -0.327 0.000 0.855 324 Q CB 1.411 29.939 28.738 -0.350 0.000 1.367 324 Q HN 0.521 nan 8.270 nan 0.000 0.406 325 H N 1.943 120.870 119.070 -0.238 0.000 2.495 325 H HA 0.523 5.079 4.556 -0.001 0.000 0.348 325 H C -1.368 173.766 175.328 -0.323 0.000 1.113 325 H CA -0.211 55.732 56.048 -0.174 0.000 1.195 325 H CB 1.029 30.922 29.762 0.218 0.000 1.521 325 H HN 0.361 nan 8.280 nan 0.000 0.509 326 F N 2.180 122.124 119.950 -0.010 0.000 2.426 326 F HA 0.427 4.953 4.527 -0.001 0.000 0.348 326 F C -0.502 175.344 175.800 0.077 0.000 1.124 326 F CA -0.954 56.990 58.000 -0.094 0.000 1.008 326 F CB 1.189 39.865 39.000 -0.539 0.000 1.139 326 F HN 0.177 nan 8.300 nan 0.000 0.452 327 V N 4.490 124.656 119.914 0.420 0.000 2.376 327 V HA 0.139 4.259 4.120 -0.001 0.000 0.287 327 V C 0.008 176.344 176.094 0.403 0.000 1.015 327 V CA -0.692 61.852 62.300 0.406 0.000 0.834 327 V CB 1.054 33.138 31.823 0.434 0.000 1.001 327 V HN 0.825 nan 8.190 nan 0.000 0.428 328 Y N 4.306 124.766 120.300 0.267 0.000 2.503 328 Y HA 0.513 5.062 4.550 -0.001 0.000 0.278 328 Y C 1.277 177.293 175.900 0.193 0.000 1.111 328 Y CA 0.936 59.178 58.100 0.235 0.000 1.270 328 Y CB 0.353 38.920 38.460 0.179 0.000 1.063 328 Y HN 0.866 nan 8.280 nan 0.000 0.548 329 G N 0.015 108.988 108.800 0.288 0.000 2.733 329 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.686 329 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.686 329 G C 0.597 175.659 174.900 0.270 0.000 1.373 329 G CA -0.412 44.803 45.100 0.192 0.000 0.838 329 G HN 0.802 nan 8.290 nan 0.000 0.588 330 A N 0.050 122.984 122.820 0.191 0.000 2.019 330 A HA 0.534 4.853 4.320 -0.001 0.000 0.219 330 A C 1.928 179.615 177.584 0.171 0.000 1.164 330 A CA 2.696 54.840 52.037 0.177 0.000 0.644 330 A CB -0.329 18.752 19.000 0.136 0.000 0.805 330 A HN 2.675 nan 8.150 nan 0.000 0.449 331 G N -2.889 105.990 108.800 0.132 0.000 2.578 331 G HA2 0.473 4.432 3.960 -0.001 0.000 0.302 331 G HA3 0.473 4.432 3.960 -0.001 0.000 0.302 331 G C -0.114 174.803 174.900 0.028 0.000 1.243 331 G CA -0.065 45.098 45.100 0.106 0.000 0.843 331 G HN 0.776 nan 8.290 nan 0.000 0.486 332 G N -1.000 107.804 108.800 0.007 0.000 2.380 332 G HA2 0.692 4.652 3.960 -0.001 0.000 0.262 332 G HA3 0.692 4.652 3.960 -0.001 0.000 0.262 332 G C 0.582 175.435 174.900 -0.079 0.000 1.243 332 G CA 0.965 46.046 45.100 -0.033 0.000 0.865 332 G HN 2.052 nan 8.290 nan 0.000 0.513 333 G N 1.545 110.281 108.800 -0.106 0.000 2.617 333 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.686 333 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.686 333 G C 0.727 175.556 174.900 -0.117 0.000 1.214 333 G CA -0.026 45.007 45.100 -0.113 0.000 0.796 333 G HN 0.652 nan 8.290 nan 0.000 0.654 334 M N 0.108 119.635 119.600 -0.121 0.000 2.159 334 M HA -0.011 4.469 4.480 -0.001 0.000 0.263 334 M C 1.673 177.957 176.300 -0.026 0.000 1.063 334 M CA 1.479 56.708 55.300 -0.119 0.000 1.110 334 M CB -0.187 32.300 32.600 -0.188 0.000 1.374 334 M HN 0.742 nan 8.290 nan 0.000 0.411 338 V N 1.776 121.833 119.914 0.238 0.000 2.261 338 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 338 V C 2.831 179.012 176.094 0.145 0.000 1.047 338 V CA 3.314 65.751 62.300 0.229 0.000 1.015 338 V CB -0.825 31.090 31.823 0.153 0.000 0.642 338 V HN 0.842 nan 8.190 nan 0.000 0.446 339 T N -1.334 113.284 114.554 0.106 0.000 2.881 339 T HA -0.089 4.260 4.350 -0.001 0.000 0.270 339 T C 1.807 176.566 174.700 0.098 0.000 1.068 339 T CA 1.427 63.570 62.100 0.073 0.000 1.131 339 T CB -0.344 68.570 68.868 0.077 0.000 0.871 339 T HN 0.467 nan 8.240 nan 0.000 0.479 340 A N 0.844 123.759 122.820 0.158 0.000 1.898 340 A HA 0.237 4.556 4.320 -0.001 0.000 0.214 340 A C 1.957 179.671 177.584 0.218 0.000 1.183 340 A CA 0.755 52.907 52.037 0.191 0.000 0.622 340 A CB -1.021 18.115 19.000 0.227 0.000 0.824 340 A HN 0.418 nan 8.150 nan 0.000 0.444 341 F N 2.349 122.315 119.950 0.026 0.000 2.120 341 F HA -0.219 4.307 4.527 -0.001 0.000 0.300 341 F C 2.730 178.423 175.800 -0.178 0.000 1.095 341 F CA 1.703 59.632 58.000 -0.118 0.000 1.249 341 F CB -0.653 38.147 39.000 -0.333 0.000 0.995 341 F HN 0.333 nan 8.300 nan 0.000 0.480 342 S N 0.072 115.665 115.700 -0.178 0.000 2.402 342 S HA -0.179 4.290 4.470 -0.001 0.000 0.229 342 S C 2.117 176.628 174.600 -0.148 0.000 1.021 342 S CA 1.022 59.054 58.200 -0.279 0.000 0.974 342 S CB -1.151 61.928 63.200 -0.202 0.000 0.800 342 S HN 0.423 nan 8.310 nan 0.000 0.484 343 L N 1.234 122.438 121.223 -0.032 0.000 2.079 343 L HA 0.089 4.428 4.340 -0.001 0.000 0.210 343 L C 2.278 179.163 176.870 0.025 0.000 1.081 343 L CA 1.602 56.460 54.840 0.031 0.000 0.752 343 L CB -0.480 41.651 42.059 0.120 0.000 0.896 343 L HN 0.369 nan 8.230 nan 0.000 0.433 344 L N -1.022 120.203 121.223 0.005 0.000 2.275 344 L HA -0.157 4.182 4.340 -0.001 0.000 0.215 344 L C 1.729 178.550 176.870 -0.081 0.000 1.119 344 L CA 0.958 55.805 54.840 0.012 0.000 0.790 344 L CB -0.296 41.784 42.059 0.035 0.000 0.919 344 L HN 0.458 nan 8.230 nan 0.000 0.443 345 Q N -0.560 119.134 119.800 -0.177 0.000 2.188 345 Q HA 0.193 4.533 4.340 -0.001 0.000 0.212 345 Q C 0.885 176.786 176.000 -0.165 0.000 0.846 345 Q CA -0.288 55.385 55.803 -0.216 0.000 0.989 345 Q CB 0.771 29.301 28.738 -0.347 0.000 1.114 345 Q HN 0.351 nan 8.270 nan 0.000 0.488 346 G N 0.810 109.561 108.800 -0.082 0.000 2.651 346 G HA2 0.101 4.060 3.960 -0.001 0.000 0.260 346 G HA3 0.101 4.060 3.960 -0.001 0.000 0.260 346 G C 0.499 175.351 174.900 -0.082 0.000 1.216 346 G CA -0.274 44.789 45.100 -0.063 0.000 0.913 346 G HN 0.001 nan 8.290 nan 0.000 0.535 347 K N -0.471 119.830 120.400 -0.164 0.000 2.536 347 K HA 0.148 4.467 4.320 -0.001 0.000 0.203 347 K C 1.446 177.762 176.600 -0.475 0.000 1.063 347 K CA -0.108 55.993 56.287 -0.309 0.000 1.063 347 K CB 1.008 33.330 32.500 -0.297 0.000 0.843 347 K HN 0.504 nan 8.250 nan 0.000 0.521 348 E N 0.378 120.271 120.200 -0.512 0.000 2.171 348 E HA -0.197 4.152 4.350 -0.001 0.000 0.197 348 E C 1.373 177.332 176.600 -1.069 0.000 0.997 348 E CA 1.522 57.399 56.400 -0.872 0.000 0.810 348 E CB -0.464 28.375 29.700 -1.435 0.000 0.738 348 E HN 0.466 nan 8.360 nan 0.000 0.467 349 F N 0.187 119.613 119.950 -0.873 0.000 2.451 349 F HA 0.063 4.590 4.527 -0.001 0.000 0.299 349 F C 1.397 177.046 175.800 -0.252 0.000 1.101 349 F CA 0.750 58.421 58.000 -0.549 0.000 1.436 349 F CB -0.107 38.776 39.000 -0.195 0.000 1.074 349 F HN -0.111 nan 8.300 nan 0.000 0.553 350 E N 0.275 119.846 120.200 -1.050 0.000 2.463 350 E HA 0.012 4.361 4.350 -0.001 0.000 0.193 350 E C -0.016 176.356 176.600 -0.381 0.000 1.041 350 E CA 0.042 55.982 56.400 -0.768 0.000 0.879 350 E CB -0.114 29.068 29.700 -0.863 0.000 0.997 350 E HN 0.335 nan 8.360 nan 0.000 0.478 351 N N 1.845 120.352 118.700 -0.322 0.000 2.714 351 N HA -0.172 4.568 4.740 -0.001 0.000 0.250 351 N C -0.745 174.674 175.510 -0.151 0.000 1.117 351 N CA 0.753 53.701 53.050 -0.171 0.000 0.719 351 N CB -0.944 37.501 38.487 -0.071 0.000 1.081 351 N HN 0.320 nan 8.380 nan 0.000 0.557 352 Q N 0.500 120.171 119.800 -0.215 0.000 2.262 352 Q HA 0.019 4.359 4.340 -0.001 0.000 0.298 352 Q C 1.340 177.287 176.000 -0.087 0.000 1.083 352 Q CA 0.288 55.999 55.803 -0.154 0.000 0.962 352 Q CB 1.152 29.775 28.738 -0.191 0.000 1.104 352 Q HN 0.216 nan 8.270 nan 0.000 0.376 353 V N 4.124 124.029 119.914 -0.015 0.000 2.992 353 V HA -0.113 4.006 4.120 -0.001 0.000 0.250 353 V C 1.217 177.393 176.094 0.137 0.000 1.090 353 V CA 1.104 63.449 62.300 0.075 0.000 1.101 353 V CB 0.250 32.139 31.823 0.110 0.000 0.743 353 V HN 0.689 nan 8.190 nan 0.000 0.468 354 L N -0.474 120.772 121.223 0.039 0.000 2.588 354 L HA 0.481 4.820 4.340 -0.001 0.000 0.194 354 L C 0.744 177.496 176.870 -0.196 0.000 1.070 354 L CA 0.825 55.607 54.840 -0.097 0.000 0.852 354 L CB -0.069 41.891 42.059 -0.165 0.000 1.199 354 L HN 0.179 nan 8.230 nan 0.000 0.486 355 N N 1.381 119.984 118.700 -0.162 0.000 2.895 355 N HA 0.093 4.832 4.740 -0.001 0.000 0.277 355 N C 0.375 175.785 175.510 -0.167 0.000 1.185 355 N CA 0.150 53.091 53.050 -0.181 0.000 1.106 355 N CB 0.624 39.029 38.487 -0.137 0.000 1.422 355 N HN 0.436 nan 8.380 nan 0.000 0.521 356 K N 0.526 120.802 120.400 -0.207 0.000 2.168 356 K HA 0.172 4.491 4.320 -0.001 0.000 0.201 356 K C 1.126 177.661 176.600 -0.108 0.000 1.049 356 K CA 0.493 56.670 56.287 -0.183 0.000 0.974 356 K CB 0.563 32.936 32.500 -0.212 0.000 0.792 356 K HN 0.075 nan 8.250 nan 0.000 0.463 357 R N 0.306 120.688 120.500 -0.197 0.000 2.404 357 R HA 0.196 4.535 4.340 -0.001 0.000 0.237 357 R C 0.259 176.212 176.300 -0.578 0.000 0.907 357 R CA 0.255 56.220 56.100 -0.224 0.000 1.063 357 R CB 1.046 31.198 30.300 -0.248 0.000 1.134 357 R HN 0.218 nan 8.270 nan 0.000 0.529 358 S N -1.461 113.876 115.700 -0.605 0.000 2.688 358 S HA 0.212 4.681 4.470 -0.001 0.000 0.269 358 S C -0.791 173.572 174.600 -0.395 0.000 1.060 358 S CA -0.842 56.907 58.200 -0.751 0.000 0.844 358 S CB 0.874 63.746 63.200 -0.546 0.000 1.095 358 S HN -0.050 nan 8.310 nan 0.000 0.466 359 V N -0.091 119.639 119.914 -0.307 0.000 2.439 359 V HA 0.656 4.775 4.120 -0.001 0.000 0.282 359 V C 0.332 176.355 176.094 -0.118 0.000 1.039 359 V CA -0.889 61.306 62.300 -0.175 0.000 0.913 359 V CB 1.058 32.807 31.823 -0.123 0.000 0.983 359 V HN 0.914 nan 8.190 nan 0.000 0.460 360 M N 6.777 126.286 119.600 -0.151 0.000 2.217 360 M HA 0.347 4.827 4.480 -0.001 0.000 0.352 360 M C -2.053 174.184 176.300 -0.105 0.000 1.376 360 M CA -1.490 53.707 55.300 -0.173 0.000 1.107 360 M CB 0.882 33.315 32.600 -0.279 0.000 1.723 360 M HN 0.565 nan 8.290 nan 0.000 0.461 361 P HA 0.338 nan 4.420 nan 0.000 0.275 361 P C -2.796 174.252 177.300 -0.420 0.000 1.266 361 P CA -1.408 61.411 63.100 -0.468 0.000 0.793 361 P CB -0.618 30.292 31.700 -1.316 0.000 1.074 362 P HA 0.106 nan 4.420 nan 0.000 0.275 362 P C 0.876 177.747 177.300 -0.716 0.000 1.228 362 P CA -0.121 62.553 63.100 -0.709 0.000 0.786 362 P CB 0.357 31.231 31.700 -1.376 0.000 0.927 363 K N 4.263 124.368 120.400 -0.492 0.000 2.117 363 K HA -0.271 4.048 4.320 -0.001 0.000 0.215 363 K C 1.701 178.021 176.600 -0.466 0.000 1.053 363 K CA 2.407 58.281 56.287 -0.688 0.000 0.935 363 K CB -1.700 30.314 32.500 -0.809 0.000 0.719 363 K HN 0.578 nan 8.250 nan 0.000 0.460 364 Y N -0.882 119.151 120.300 -0.445 0.000 2.465 364 Y HA 0.013 4.563 4.550 -0.001 0.000 0.289 364 Y C 1.637 177.389 175.900 -0.248 0.000 1.150 364 Y CA 0.686 58.559 58.100 -0.378 0.000 1.293 364 Y CB -1.022 37.144 38.460 -0.490 0.000 0.977 364 Y HN -0.071 nan 8.280 nan 0.000 0.556 365 V N 0.027 119.693 119.914 -0.414 0.000 3.510 365 V HA -0.142 3.977 4.120 -0.001 0.000 0.270 365 V C 1.017 177.021 176.094 -0.150 0.000 1.201 365 V CA 1.045 63.139 62.300 -0.343 0.000 1.166 365 V CB -1.031 30.236 31.823 -0.927 0.000 0.825 365 V HN 0.341 nan 8.190 nan 0.000 0.484 366 F N 0.133 120.078 119.950 -0.009 0.000 2.727 366 F HA 0.435 4.961 4.527 -0.001 0.000 0.302 366 F C 1.514 177.322 175.800 0.014 0.000 1.097 366 F CA -0.368 57.630 58.000 -0.003 0.000 1.330 366 F CB -0.292 38.624 39.000 -0.140 0.000 1.084 366 F HN 0.153 nan 8.300 nan 0.000 0.578 367 G N -1.010 107.918 108.800 0.213 0.000 2.557 367 G HA2 0.296 4.255 3.960 -0.001 0.000 0.302 367 G HA3 0.296 4.255 3.960 -0.001 0.000 0.302 367 G C -1.264 173.856 174.900 0.367 0.000 1.311 367 G CA -0.435 44.749 45.100 0.140 0.000 1.030 367 G HN -0.041 nan 8.290 nan 0.000 0.509 368 F N 0.104 120.186 119.950 0.221 0.000 2.438 368 F HA 0.634 5.160 4.527 -0.001 0.000 0.356 368 F C -0.949 174.628 175.800 -0.371 0.000 1.099 368 F CA -1.256 56.762 58.000 0.029 0.000 1.185 368 F CB 0.548 39.621 39.000 0.122 0.000 1.115 368 F HN 0.126 nan 8.300 nan 0.000 0.526 369 F N 4.331 123.695 119.950 -0.977 0.000 2.518 369 F HA 0.325 4.851 4.527 -0.001 0.000 0.323 369 F C -0.387 174.968 175.800 -0.741 0.000 1.129 369 F CA -0.938 56.630 58.000 -0.720 0.000 0.920 369 F CB 1.722 40.415 39.000 -0.512 0.000 1.160 369 F HN 0.316 nan 8.300 nan 0.000 0.440 370 Q N 2.259 122.006 119.800 -0.087 0.000 2.274 370 Q HA 0.601 4.940 4.340 -0.001 0.000 0.256 370 Q C -0.351 175.722 176.000 0.122 0.000 0.927 370 Q CA -0.323 55.510 55.803 0.050 0.000 0.939 370 Q CB 1.656 30.607 28.738 0.354 0.000 1.201 370 Q HN 0.797 nan 8.270 nan 0.000 0.426 371 G N 1.682 110.539 108.800 0.095 0.000 2.400 371 G HA2 0.670 4.630 3.960 -0.001 0.000 0.333 371 G HA3 0.670 4.630 3.960 -0.001 0.000 0.333 371 G C -1.400 173.739 174.900 0.398 0.000 1.143 371 G CA -0.500 44.689 45.100 0.148 0.000 0.914 371 G HN 0.510 nan 8.290 nan 0.000 0.480 372 V N 1.958 122.080 119.914 0.347 0.000 2.668 372 V HA 0.328 4.448 4.120 -0.001 0.000 0.304 372 V C -1.281 174.961 176.094 0.246 0.000 1.071 372 V CA -0.792 61.556 62.300 0.080 0.000 0.894 372 V CB 1.863 33.707 31.823 0.035 0.000 1.008 372 V HN 0.699 nan 8.190 nan 0.000 0.425 373 F N 4.387 124.255 119.950 -0.138 0.000 2.425 373 F HA 0.729 5.255 4.527 -0.001 0.000 0.354 373 F C 0.872 176.576 175.800 -0.160 0.000 1.162 373 F CA -0.593 57.388 58.000 -0.032 0.000 1.250 373 F CB 0.424 39.467 39.000 0.071 0.000 1.579 373 F HN 0.721 nan 8.300 nan 0.000 0.589 374 G N 2.035 110.791 108.800 -0.072 0.000 3.034 374 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.222 374 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.222 374 G C 0.032 174.899 174.900 -0.056 0.000 0.980 374 G CA -0.147 44.824 45.100 -0.215 0.000 1.008 374 G HN 0.806 nan 8.290 nan 0.000 0.632 375 T N -1.308 113.286 114.554 0.065 0.000 2.766 375 T HA 0.599 4.948 4.350 -0.001 0.000 0.295 375 T C 1.189 175.954 174.700 0.108 0.000 1.024 375 T CA 0.803 62.957 62.100 0.091 0.000 1.018 375 T CB 1.731 70.709 68.868 0.184 0.000 1.002 375 T HN 1.266 nan 8.240 nan 0.000 0.532 376 S N -1.779 113.910 115.700 -0.019 0.000 2.976 376 S HA 0.411 4.880 4.470 -0.001 0.000 0.252 376 S C 0.098 174.536 174.600 -0.270 0.000 0.940 376 S CA -0.001 58.185 58.200 -0.023 0.000 1.283 376 S CB -0.603 62.580 63.200 -0.029 0.000 1.194 376 S HN 1.585 nan 8.310 nan 0.000 0.662 377 S N 0.121 115.416 115.700 -0.675 0.000 2.643 377 S HA 0.605 5.074 4.470 -0.001 0.000 0.266 377 S C 0.030 173.968 174.600 -1.103 0.000 1.130 377 S CA -0.408 57.219 58.200 -0.954 0.000 0.817 377 S CB 0.623 63.576 63.200 -0.411 0.000 1.107 377 S HN 0.459 nan 8.310 nan 0.000 0.471 378 L N 0.661 121.356 121.223 -0.879 0.000 2.034 378 L HA 0.519 4.858 4.340 -0.001 0.000 0.203 378 L C 0.023 176.552 176.870 -0.568 0.000 1.074 378 L CA 1.590 56.038 54.840 -0.654 0.000 0.748 378 L CB -0.766 40.970 42.059 -0.539 0.000 0.905 378 L HN 0.737 nan 8.230 nan 0.000 0.439 379 L N -1.586 119.377 121.223 -0.433 0.000 2.303 379 L HA 0.461 4.801 4.340 -0.001 0.000 0.266 379 L C 1.459 178.196 176.870 -0.221 0.000 1.011 379 L CA -0.703 53.927 54.840 -0.350 0.000 0.818 379 L CB 1.119 43.001 42.059 -0.296 0.000 1.326 379 L HN -0.103 nan 8.230 nan 0.000 0.435 380 R N 0.917 121.315 120.500 -0.169 0.000 2.081 380 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 380 R C 2.080 178.295 176.300 -0.142 0.000 1.131 380 R CA 1.557 57.581 56.100 -0.126 0.000 0.960 380 R CB -0.607 29.639 30.300 -0.089 0.000 0.856 380 R HN 0.850 nan 8.270 nan 0.000 0.436 381 A N 0.825 123.532 122.820 -0.188 0.000 1.997 381 A HA -0.191 4.128 4.320 -0.001 0.000 0.221 381 A C 1.170 178.519 177.584 -0.390 0.000 1.172 381 A CA 1.535 53.396 52.037 -0.294 0.000 0.645 381 A CB -0.426 18.354 19.000 -0.368 0.000 0.813 381 A HN 0.352 nan 8.150 nan 0.000 0.454 382 H N -2.167 116.843 119.070 -0.100 0.000 2.486 382 H HA 0.291 4.846 4.556 -0.001 0.000 0.284 382 H C 0.094 175.353 175.328 -0.115 0.000 1.103 382 H CA -0.230 55.761 56.048 -0.096 0.000 1.089 382 H CB -0.159 29.546 29.762 -0.095 0.000 1.603 382 H HN 0.550 nan 8.280 nan 0.000 0.557 383 M N 3.620 123.195 119.600 -0.042 0.000 2.143 383 M HA 0.236 4.715 4.480 -0.001 0.000 0.348 383 M C -2.208 174.069 176.300 -0.038 0.000 1.375 383 M CA -1.453 53.807 55.300 -0.067 0.000 1.124 383 M CB 0.803 33.350 32.600 -0.088 0.000 1.669 383 M HN -0.116 nan 8.290 nan 0.000 0.469 384 P HA 0.109 nan 4.420 nan 0.000 0.267 384 P C -1.114 176.172 177.300 -0.023 0.000 1.200 384 P CA -0.196 62.892 63.100 -0.021 0.000 0.772 384 P CB 0.346 32.033 31.700 -0.021 0.000 0.855 385 A N 2.160 124.971 122.820 -0.015 0.000 2.492 385 A HA 0.547 4.866 4.320 -0.001 0.000 0.254 385 A C 0.710 178.289 177.584 -0.009 0.000 1.091 385 A CA 0.592 52.622 52.037 -0.011 0.000 0.768 385 A CB -0.645 18.351 19.000 -0.007 0.000 1.028 385 A HN 0.770 nan 8.150 nan 0.000 0.498 386 G N 1.573 110.372 108.800 -0.002 0.000 2.752 386 G HA2 0.442 4.401 3.960 -0.001 0.000 0.298 386 G HA3 0.442 4.401 3.960 -0.001 0.000 0.298 386 G C -0.820 174.101 174.900 0.036 0.000 1.434 386 G CA -0.665 44.438 45.100 0.004 0.000 1.004 386 G HN 0.895 nan 8.290 nan 0.000 0.560 387 E N 1.290 121.538 120.200 0.079 0.000 2.493 387 E HA 0.033 4.382 4.350 -0.001 0.000 0.255 387 E C 0.994 177.705 176.600 0.185 0.000 0.999 387 E CA 0.680 57.166 56.400 0.143 0.000 0.934 387 E CB 0.146 29.984 29.700 0.229 0.000 0.940 387 E HN 0.595 nan 8.360 nan 0.000 0.473 388 N N 2.762 121.539 118.700 0.129 0.000 2.863 388 N HA -0.219 4.520 4.740 -0.001 0.000 0.245 388 N C -1.040 174.526 175.510 0.093 0.000 1.001 388 N CA 1.007 54.135 53.050 0.129 0.000 0.901 388 N CB -1.138 37.478 38.487 0.215 0.000 1.124 388 N HN 0.552 nan 8.380 nan 0.000 0.582 389 N N 0.683 119.413 118.700 0.052 0.000 2.294 389 N HA 0.176 4.915 4.740 -0.001 0.000 0.248 389 N C 0.057 175.577 175.510 0.016 0.000 1.242 389 N CA 0.612 53.669 53.050 0.011 0.000 0.848 389 N CB 0.368 38.847 38.487 -0.014 0.000 1.084 389 N HN 0.503 nan 8.380 nan 0.000 0.457 390 I N -0.187 120.388 120.570 0.008 0.000 2.828 390 I HA 0.375 4.545 4.170 -0.001 0.000 0.302 390 I C -0.428 175.674 176.117 -0.025 0.000 1.101 390 I CA -0.555 60.754 61.300 0.015 0.000 1.031 390 I CB 1.506 39.545 38.000 0.065 0.000 1.231 390 I HN 0.605 nan 8.210 nan 0.000 0.427 391 S N 4.359 120.030 115.700 -0.047 0.000 2.638 391 S HA 0.408 4.877 4.470 -0.001 0.000 0.298 391 S C 0.858 175.417 174.600 -0.068 0.000 1.111 391 S CA -0.743 57.387 58.200 -0.116 0.000 1.027 391 S CB 1.815 64.916 63.200 -0.166 0.000 1.064 391 S HN 0.464 nan 8.310 nan 0.000 0.525 392 V N 1.419 121.268 119.914 -0.109 0.000 2.324 392 V HA -0.221 3.899 4.120 -0.001 0.000 0.250 392 V C 2.757 178.857 176.094 0.011 0.000 1.060 392 V CA 2.492 64.790 62.300 -0.003 0.000 1.042 392 V CB -1.318 30.481 31.823 -0.041 0.000 0.650 392 V HN 1.091 nan 8.190 nan 0.000 0.450 393 E N 0.346 120.454 120.200 -0.154 0.000 2.171 393 E HA -0.319 4.031 4.350 -0.001 0.000 0.197 393 E C 2.200 178.835 176.600 0.059 0.000 0.997 393 E CA 1.799 58.161 56.400 -0.064 0.000 0.810 393 E CB -0.142 29.431 29.700 -0.212 0.000 0.738 393 E HN 0.790 nan 8.360 nan 0.000 0.467 394 E N 0.191 120.392 120.200 0.002 0.000 2.112 394 E HA -0.141 4.208 4.350 -0.001 0.000 0.190 394 E C 2.062 178.636 176.600 -0.043 0.000 0.979 394 E CA 0.943 57.334 56.400 -0.015 0.000 0.814 394 E CB -0.077 29.622 29.700 -0.003 0.000 0.762 394 E HN 0.387 nan 8.360 nan 0.000 0.460 395 I N 0.731 121.332 120.570 0.052 0.000 2.113 395 I HA -0.264 3.905 4.170 -0.001 0.000 0.238 395 I C 2.383 178.483 176.117 -0.028 0.000 1.070 395 I CA 0.932 62.285 61.300 0.088 0.000 1.332 395 I CB -0.335 37.810 38.000 0.242 0.000 1.044 395 I HN 0.049 nan 8.210 nan 0.000 0.402 396 V N 0.603 120.610 119.914 0.154 0.000 2.380 396 V HA -0.322 3.797 4.120 -0.001 0.000 0.251 396 V C 2.334 178.446 176.094 0.030 0.000 1.063 396 V CA 2.024 64.450 62.300 0.209 0.000 1.055 396 V CB -0.831 31.251 31.823 0.431 0.000 0.657 396 V HN 0.448 nan 8.190 nan 0.000 0.455 397 E N 0.143 120.316 120.200 -0.044 0.000 2.072 397 E HA -0.080 4.269 4.350 -0.001 0.000 0.190 397 E C 2.379 178.762 176.600 -0.361 0.000 0.982 397 E CA 1.009 57.335 56.400 -0.124 0.000 0.803 397 E CB -0.516 29.139 29.700 -0.075 0.000 0.755 397 E HN 0.633 nan 8.360 nan 0.000 0.453 398 G N 0.353 108.678 108.800 -0.793 0.000 2.514 398 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.217 398 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.217 398 G C 1.095 175.343 174.900 -1.087 0.000 1.198 398 G CA 1.170 45.249 45.100 -1.701 0.000 0.780 398 G HN 0.192 nan 8.290 nan 0.000 0.565 399 Y N 0.670 120.519 120.300 -0.751 0.000 2.092 399 Y HA -0.064 4.486 4.550 -0.001 0.000 0.282 399 Y C 3.307 179.155 175.900 -0.086 0.000 1.126 399 Y CA 1.512 59.383 58.100 -0.381 0.000 1.111 399 Y CB -0.821 37.200 38.460 -0.732 0.000 0.987 399 Y HN 0.186 nan 8.280 nan 0.000 0.489 400 Q N 0.077 119.934 119.800 0.094 0.000 2.045 400 Q HA -0.243 4.097 4.340 -0.001 0.000 0.206 400 Q C 1.901 177.943 176.000 0.070 0.000 0.991 400 Q CA 1.720 57.595 55.803 0.120 0.000 0.851 400 Q CB -0.465 28.333 28.738 0.100 0.000 0.911 400 Q HN 0.524 nan 8.270 nan 0.000 0.418 401 N N 0.894 119.594 118.700 0.000 0.000 2.149 401 N HA -0.104 4.635 4.740 -0.001 0.000 0.188 401 N C 0.800 176.326 175.510 0.028 0.000 1.019 401 N CA 0.852 53.898 53.050 -0.007 0.000 0.857 401 N CB -0.307 38.147 38.487 -0.055 0.000 0.997 401 N HN 0.239 nan 8.380 nan 0.000 0.426 402 N N 1.644 120.389 118.700 0.076 0.000 2.389 402 N HA -0.016 4.723 4.740 -0.001 0.000 0.237 402 N C -0.360 175.251 175.510 0.167 0.000 1.148 402 N CA -0.060 53.082 53.050 0.154 0.000 0.854 402 N CB -0.437 38.207 38.487 0.261 0.000 1.115 402 N HN 0.098 nan 8.380 nan 0.000 0.492 403 N N 0.627 119.393 118.700 0.109 0.000 2.702 403 N HA -0.243 4.496 4.740 -0.001 0.000 0.261 403 N C -1.182 174.343 175.510 0.024 0.000 0.965 403 N CA 0.426 53.512 53.050 0.060 0.000 0.795 403 N CB -1.387 37.097 38.487 -0.006 0.000 0.909 403 N HN 0.206 nan 8.380 nan 0.000 0.546 404 F N 0.427 120.420 119.950 0.072 0.000 2.410 404 F HA 0.341 4.868 4.527 -0.001 0.000 0.348 404 F C -1.458 174.352 175.800 0.017 0.000 1.106 404 F CA -1.992 56.049 58.000 0.068 0.000 1.163 404 F CB 1.045 40.170 39.000 0.209 0.000 1.129 404 F HN 0.085 nan 8.300 nan 0.000 0.516 405 P HA 0.061 nan 4.420 nan 0.000 0.269 405 P C -1.075 176.178 177.300 -0.079 0.000 1.263 405 P CA 0.320 63.255 63.100 -0.274 0.000 0.813 405 P CB 0.009 31.195 31.700 -0.856 0.000 0.868 406 F N 2.979 122.892 119.950 -0.063 0.000 2.561 406 F HA 0.377 4.903 4.527 -0.001 0.000 0.313 406 F C 0.833 176.613 175.800 -0.034 0.000 1.126 406 F CA -0.983 57.015 58.000 -0.003 0.000 0.918 406 F CB 2.439 41.413 39.000 -0.042 0.000 1.199 406 F HN 0.085 nan 8.300 nan 0.000 0.444 407 E N 2.734 122.362 120.200 -0.954 0.000 2.290 407 E HA 0.513 4.862 4.350 -0.001 0.000 0.197 407 E C 0.601 176.518 176.600 -1.139 0.000 0.948 407 E CA 0.964 56.826 56.400 -0.898 0.000 0.895 407 E CB 0.605 29.702 29.700 -1.004 0.000 0.865 407 E HN 1.007 nan 8.360 nan 0.000 0.486 408 G N -1.048 106.747 108.800 -1.674 0.000 2.332 408 G HA2 0.155 4.114 3.960 -0.001 0.000 0.265 408 G HA3 0.155 4.114 3.960 -0.001 0.000 0.265 408 G C -1.654 173.043 174.900 -0.338 0.000 1.329 408 G CA -0.637 43.950 45.100 -0.856 0.000 0.949 408 G HN 0.038 nan 8.290 nan 0.000 0.476 409 L N 0.438 121.744 121.223 0.139 0.000 2.334 409 L HA 0.814 5.154 4.340 -0.001 0.000 0.270 409 L C 0.668 177.687 176.870 0.248 0.000 1.018 409 L CA -0.487 54.520 54.840 0.278 0.000 0.811 409 L CB 2.155 44.408 42.059 0.323 0.000 1.271 409 L HN 1.108 nan 8.230 nan 0.000 0.443 410 A N 1.796 124.674 122.820 0.097 0.000 2.644 410 A HA 0.609 4.928 4.320 -0.001 0.000 0.343 410 A C -0.641 177.014 177.584 0.118 0.000 1.324 410 A CA -0.502 51.441 52.037 -0.157 0.000 0.846 410 A CB 0.116 18.675 19.000 -0.735 0.000 1.128 410 A HN 0.360 nan 8.150 nan 0.000 0.484 411 V N 2.795 122.878 119.914 0.282 0.000 2.572 411 V HA 0.098 4.217 4.120 -0.001 0.000 0.291 411 V C 0.500 176.797 176.094 0.338 0.000 1.039 411 V CA -0.072 62.409 62.300 0.302 0.000 1.055 411 V CB 0.884 32.866 31.823 0.265 0.000 0.969 411 V HN 0.843 nan 8.190 nan 0.000 0.482 412 D N 2.203 122.744 120.400 0.235 0.000 2.539 412 D HA 0.239 4.879 4.640 -0.001 0.000 0.276 412 D C 1.244 177.439 176.300 -0.176 0.000 1.206 412 D CA -0.141 53.868 54.000 0.014 0.000 1.081 412 D CB 1.842 42.711 40.800 0.115 0.000 1.142 412 D HN 0.338 nan 8.370 nan 0.000 0.595 413 V N -0.949 118.787 119.914 -0.296 0.000 2.982 413 V HA -0.162 3.958 4.120 -0.001 0.000 0.265 413 V C 1.273 177.269 176.094 -0.164 0.000 1.122 413 V CA 1.432 63.575 62.300 -0.261 0.000 1.143 413 V CB -0.598 31.033 31.823 -0.320 0.000 0.726 413 V HN 0.355 nan 8.190 nan 0.000 0.507 414 D N 1.964 122.324 120.400 -0.067 0.000 2.154 414 D HA -0.340 4.299 4.640 -0.001 0.000 0.190 414 D C 2.179 178.333 176.300 -0.243 0.000 1.003 414 D CA 2.627 56.622 54.000 -0.009 0.000 0.849 414 D CB -0.372 40.534 40.800 0.176 0.000 0.942 414 D HN 0.736 nan 8.370 nan 0.000 0.446 415 M N 0.392 119.532 119.600 -0.767 0.000 2.229 415 M HA -0.106 4.373 4.480 -0.001 0.000 0.264 415 M C 0.768 176.766 176.300 -0.503 0.000 1.063 415 M CA 0.963 55.413 55.300 -1.417 0.000 1.114 415 M CB -0.297 31.290 32.600 -1.688 0.000 1.387 415 M HN -0.163 nan 8.290 nan 0.000 0.420 416 Q N 2.239 121.857 119.800 -0.304 0.000 2.469 416 Q HA -0.025 4.314 4.340 -0.001 0.000 0.279 416 Q C -0.603 175.340 176.000 -0.095 0.000 1.097 416 Q CA 0.120 55.829 55.803 -0.157 0.000 0.951 416 Q CB 0.001 28.649 28.738 -0.149 0.000 1.297 416 Q HN 0.295 nan 8.270 nan 0.000 0.465 417 D N 1.683 122.046 120.400 -0.062 0.000 2.352 417 D HA -0.005 4.635 4.640 -0.001 0.000 0.245 417 D C -0.388 175.857 176.300 -0.092 0.000 1.224 417 D CA -0.118 53.853 54.000 -0.049 0.000 0.879 417 D CB -0.168 40.616 40.800 -0.027 0.000 1.057 417 D HN 0.449 nan 8.370 nan 0.000 0.491 418 N N 4.312 122.972 118.700 -0.066 0.000 2.666 418 N HA -0.247 4.492 4.740 -0.001 0.000 0.274 418 N C 0.045 175.485 175.510 -0.116 0.000 1.043 418 N CA 0.678 53.683 53.050 -0.075 0.000 0.782 418 N CB -0.907 37.536 38.487 -0.074 0.000 0.912 418 N HN 0.679 nan 8.380 nan 0.000 0.556 419 L N -2.191 118.976 121.223 -0.094 0.000 3.839 419 L HA -0.355 3.984 4.340 -0.001 0.000 0.416 419 L C 0.266 177.037 176.870 -0.166 0.000 1.195 419 L CA 1.034 55.819 54.840 -0.092 0.000 0.946 419 L CB -1.294 40.740 42.059 -0.043 0.000 1.891 419 L HN 0.450 nan 8.230 nan 0.000 0.963 420 R N 0.385 120.742 120.500 -0.239 0.000 2.391 420 R HA 0.417 4.756 4.340 -0.001 0.000 0.310 420 R C 0.154 176.392 176.300 -0.102 0.000 1.174 420 R CA -0.571 55.287 56.100 -0.404 0.000 1.118 420 R CB 1.396 31.222 30.300 -0.790 0.000 1.134 420 R HN 0.059 nan 8.270 nan 0.000 0.524 421 V N 5.015 124.915 119.914 -0.024 0.000 2.625 421 V HA -0.192 3.927 4.120 -0.001 0.000 0.305 421 V C 0.185 176.295 176.094 0.027 0.000 1.055 421 V CA 1.589 63.816 62.300 -0.122 0.000 1.209 421 V CB -0.529 31.160 31.823 -0.222 0.000 0.877 421 V HN 0.884 nan 8.190 nan 0.000 0.489 422 F N 2.336 122.264 119.950 -0.037 0.000 1.869 422 F HA -0.125 4.401 4.527 -0.001 0.000 0.338 422 F C 0.516 176.308 175.800 -0.014 0.000 0.566 422 F CA 0.844 58.782 58.000 -0.102 0.000 2.159 422 F CB -1.992 36.904 39.000 -0.172 0.000 2.862 422 F HN 0.867 nan 8.300 nan 0.000 0.246 423 T N -2.264 112.389 114.554 0.165 0.000 2.804 423 T HA 0.881 5.230 4.350 -0.001 0.000 0.290 423 T C -0.088 174.663 174.700 0.085 0.000 1.099 423 T CA 0.126 62.313 62.100 0.145 0.000 1.011 423 T CB 2.992 71.948 68.868 0.147 0.000 1.291 423 T HN 0.481 nan 8.240 nan 0.000 0.523 424 T N -1.145 113.486 114.554 0.129 0.000 2.883 424 T HA 0.740 5.089 4.350 -0.001 0.000 0.301 424 T C -1.015 173.788 174.700 0.172 0.000 1.158 424 T CA -1.151 61.030 62.100 0.134 0.000 1.007 424 T CB 1.800 70.841 68.868 0.288 0.000 1.186 424 T HN 1.103 nan 8.240 nan 0.000 0.499 425 K N 0.088 120.595 120.400 0.179 0.000 2.221 425 K HA 0.714 5.033 4.320 -0.001 0.000 0.243 425 K C 1.485 178.243 176.600 0.264 0.000 0.968 425 K CA -0.858 55.529 56.287 0.167 0.000 0.846 425 K CB 1.070 33.640 32.500 0.117 0.000 1.141 425 K HN 0.649 nan 8.250 nan 0.000 0.434 426 G N 1.350 110.211 108.800 0.102 0.000 2.503 426 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.221 426 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.221 426 G C 0.979 175.959 174.900 0.133 0.000 1.131 426 G CA 1.070 46.189 45.100 0.033 0.000 0.756 426 G HN 0.815 nan 8.290 nan 0.000 0.572 427 E N -0.282 119.987 120.200 0.115 0.000 2.209 427 E HA -0.037 4.312 4.350 -0.001 0.000 0.196 427 E C 1.210 177.757 176.600 -0.088 0.000 0.993 427 E CA 0.504 56.900 56.400 -0.006 0.000 0.819 427 E CB -0.258 29.425 29.700 -0.028 0.000 0.745 427 E HN 0.554 nan 8.360 nan 0.000 0.477 428 F N -0.837 119.151 119.950 0.063 0.000 2.777 428 F HA 0.201 4.728 4.527 -0.001 0.000 0.291 428 F C -0.440 175.231 175.800 -0.215 0.000 1.187 428 F CA -0.231 57.708 58.000 -0.102 0.000 1.406 428 F CB 0.084 38.976 39.000 -0.181 0.000 0.982 428 F HN -0.099 nan 8.300 nan 0.000 0.509 429 W N -1.107 120.153 121.300 -0.066 0.000 3.031 429 W HA 0.266 4.925 4.660 -0.001 0.000 0.337 429 W C 1.369 177.840 176.519 -0.079 0.000 1.187 429 W CA -0.946 56.364 57.345 -0.058 0.000 1.166 429 W CB 0.779 30.221 29.460 -0.030 0.000 1.437 429 W HN -0.167 nan 8.180 nan 0.000 0.551 430 T N -1.830 112.841 114.554 0.195 0.000 3.051 430 T HA 0.045 4.394 4.350 -0.001 0.000 0.269 430 T C 0.924 175.741 174.700 0.195 0.000 1.127 430 T CA 1.372 63.556 62.100 0.140 0.000 1.107 430 T CB -0.061 68.912 68.868 0.174 0.000 0.898 430 T HN 0.493 nan 8.240 nan 0.000 0.517 431 A N 0.631 123.550 122.820 0.165 0.000 2.610 431 A HA 0.540 4.859 4.320 -0.001 0.000 0.291 431 A C 0.875 178.396 177.584 -0.105 0.000 1.116 431 A CA 0.127 52.215 52.037 0.086 0.000 0.963 431 A CB -0.385 18.665 19.000 0.083 0.000 1.220 431 A HN 0.357 nan 8.150 nan 0.000 0.530 432 N N 0.182 118.751 118.700 -0.218 0.000 2.753 432 N HA -0.193 4.546 4.740 -0.001 0.000 0.251 432 N C -0.082 175.293 175.510 -0.226 0.000 1.097 432 N CA 1.759 54.569 53.050 -0.399 0.000 0.786 432 N CB -1.211 36.741 38.487 -0.890 0.000 1.137 432 N HN 0.897 nan 8.380 nan 0.000 0.566 433 R N -2.525 117.848 120.500 -0.211 0.000 2.774 433 R HA 0.690 5.029 4.340 -0.001 0.000 0.272 433 R C -0.683 175.180 176.300 -0.729 0.000 1.000 433 R CA -0.995 54.913 56.100 -0.320 0.000 0.906 433 R CB 0.939 31.094 30.300 -0.241 0.000 1.227 433 R HN -0.140 nan 8.270 nan 0.000 0.468 434 V N 1.703 121.175 119.914 -0.737 0.000 2.479 434 V HA 0.367 4.486 4.120 -0.001 0.000 0.281 434 V C 0.753 176.252 176.094 -0.991 0.000 1.031 434 V CA 0.516 62.153 62.300 -1.107 0.000 1.038 434 V CB 0.784 32.342 31.823 -0.442 0.000 0.981 434 V HN 0.882 nan 8.190 nan 0.000 0.478 435 G N 2.691 110.561 108.800 -1.549 0.000 2.552 435 G HA2 0.490 4.450 3.960 -0.001 0.000 0.324 435 G HA3 0.490 4.450 3.960 -0.001 0.000 0.324 435 G C 0.745 175.489 174.900 -0.259 0.000 1.217 435 G CA 0.217 44.916 45.100 -0.669 0.000 0.989 435 G HN 0.731 nan 8.290 nan 0.000 0.490 436 T N -2.633 111.902 114.554 -0.033 0.000 3.107 436 T HA 0.456 4.805 4.350 -0.001 0.000 0.249 436 T C 1.195 176.018 174.700 0.205 0.000 1.096 436 T CA 0.776 62.928 62.100 0.088 0.000 1.012 436 T CB -0.495 68.404 68.868 0.051 0.000 0.977 436 T HN 2.234 nan 8.240 nan 0.000 0.527 437 G N -0.200 108.773 108.800 0.288 0.000 2.730 437 G HA2 0.360 4.319 3.960 -0.001 0.000 0.686 437 G HA3 0.360 4.319 3.960 -0.001 0.000 0.686 437 G C 0.595 175.640 174.900 0.242 0.000 1.343 437 G CA -0.207 45.126 45.100 0.388 0.000 0.826 437 G HN 1.577 nan 8.290 nan 0.000 0.582 438 G N -0.675 108.264 108.800 0.231 0.000 2.176 438 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.253 438 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.253 438 G C 0.274 175.263 174.900 0.148 0.000 0.979 438 G CA 1.275 46.475 45.100 0.167 0.000 0.641 438 G HN 2.046 nan 8.290 nan 0.000 0.530 439 D N 0.891 121.396 120.400 0.175 0.000 2.347 439 D HA 0.506 5.145 4.640 -0.001 0.000 0.235 439 D C -0.631 175.762 176.300 0.155 0.000 1.149 439 D CA -2.227 51.859 54.000 0.143 0.000 0.850 439 D CB 1.394 42.272 40.800 0.130 0.000 1.061 439 D HN 0.137 nan 8.370 nan 0.000 0.487 440 P HA 0.043 nan 4.420 nan 0.000 0.245 440 P C 0.171 177.548 177.300 0.127 0.000 1.212 440 P CA 0.320 63.495 63.100 0.124 0.000 0.774 440 P CB 0.365 32.121 31.700 0.094 0.000 0.999 441 N N -0.391 118.381 118.700 0.120 0.000 2.236 441 N HA 0.036 4.776 4.740 -0.001 0.000 0.196 441 N C -0.029 175.564 175.510 0.138 0.000 1.114 441 N CA 0.301 53.420 53.050 0.115 0.000 0.859 441 N CB -0.054 38.483 38.487 0.083 0.000 0.982 441 N HN 0.099 nan 8.380 nan 0.000 0.493 442 N N 0.768 119.577 118.700 0.182 0.000 2.751 442 N HA 0.141 4.880 4.740 -0.001 0.000 0.238 442 N C -1.266 174.499 175.510 0.425 0.000 1.351 442 N CA -0.256 52.948 53.050 0.257 0.000 0.751 442 N CB 0.511 39.097 38.487 0.167 0.000 1.342 442 N HN -0.131 nan 8.380 nan 0.000 0.540 443 R N 0.473 121.183 120.500 0.351 0.000 2.441 443 R HA 0.414 4.754 4.340 -0.001 0.000 0.284 443 R C 0.544 176.917 176.300 0.122 0.000 1.070 443 R CA -0.439 55.830 56.100 0.280 0.000 1.047 443 R CB 0.835 31.282 30.300 0.245 0.000 1.016 443 R HN 0.607 nan 8.270 nan 0.000 0.477 444 S N 0.932 116.363 115.700 -0.448 0.000 2.624 444 S HA 0.016 4.486 4.470 -0.001 0.000 0.263 444 S C 1.348 175.568 174.600 -0.635 0.000 1.287 444 S CA -0.699 56.664 58.200 -1.395 0.000 0.990 444 S CB 1.435 63.483 63.200 -1.921 0.000 0.950 444 S HN 0.481 nan 8.310 nan 0.000 0.561 445 V N 1.151 120.628 119.914 -0.728 0.000 2.233 445 V HA -0.230 3.889 4.120 -0.001 0.000 0.252 445 V C 1.941 177.921 176.094 -0.190 0.000 1.063 445 V CA 2.406 64.457 62.300 -0.415 0.000 1.032 445 V CB -1.255 30.285 31.823 -0.472 0.000 0.645 445 V HN 0.835 nan 8.190 nan 0.000 0.446 446 F N 0.787 120.654 119.950 -0.137 0.000 2.216 446 F HA -0.074 4.452 4.527 -0.001 0.000 0.300 446 F C 2.491 178.124 175.800 -0.278 0.000 1.085 446 F CA 1.818 59.714 58.000 -0.173 0.000 1.326 446 F CB -0.934 37.963 39.000 -0.172 0.000 1.027 446 F HN 0.318 nan 8.300 nan 0.000 0.497 447 E N -1.349 118.860 120.200 0.014 0.000 2.076 447 E HA -0.209 4.140 4.350 -0.001 0.000 0.190 447 E C 1.993 178.700 176.600 0.179 0.000 0.979 447 E CA 0.988 57.444 56.400 0.092 0.000 0.807 447 E CB -0.480 29.297 29.700 0.129 0.000 0.761 447 E HN 0.501 nan 8.360 nan 0.000 0.454 448 W N 1.869 123.159 121.300 -0.016 0.000 2.333 448 W HA -0.272 4.387 4.660 -0.001 0.000 0.316 448 W C 2.415 178.966 176.519 0.053 0.000 1.215 448 W CA 2.405 59.764 57.345 0.023 0.000 1.278 448 W CB -0.436 29.019 29.460 -0.009 0.000 1.154 448 W HN 0.048 nan 8.180 nan 0.000 0.486 449 A N -0.344 122.692 122.820 0.360 0.000 1.940 449 A HA -0.351 3.968 4.320 -0.001 0.000 0.221 449 A C 1.690 179.328 177.584 0.091 0.000 1.190 449 A CA 2.327 54.491 52.037 0.211 0.000 0.647 449 A CB -1.518 17.640 19.000 0.263 0.000 0.821 449 A HN 0.692 nan 8.150 nan 0.000 0.457 450 H N -0.916 118.212 119.070 0.096 0.000 2.293 450 H HA -0.120 4.435 4.556 -0.001 0.000 0.300 450 H C 1.490 176.802 175.328 -0.025 0.000 1.082 450 H CA 0.944 57.023 56.048 0.052 0.000 1.308 450 H CB -0.016 29.791 29.762 0.075 0.000 1.375 450 H HN 0.414 nan 8.280 nan 0.000 0.495 451 D N 0.423 120.861 120.400 0.064 0.000 2.354 451 D HA -0.101 4.538 4.640 -0.001 0.000 0.216 451 D C 1.292 177.490 176.300 -0.170 0.000 0.970 451 D CA 0.917 54.876 54.000 -0.068 0.000 0.905 451 D CB 0.023 40.757 40.800 -0.110 0.000 0.903 451 D HN 0.321 nan 8.370 nan 0.000 0.508 452 K N -0.655 119.610 120.400 -0.226 0.000 2.374 452 K HA 0.176 4.495 4.320 -0.001 0.000 0.196 452 K C 1.331 177.891 176.600 -0.065 0.000 1.023 452 K CA 0.423 56.572 56.287 -0.229 0.000 1.103 452 K CB 1.298 33.571 32.500 -0.378 0.000 0.848 452 K HN 0.149 nan 8.250 nan 0.000 0.528 453 G N 1.367 110.160 108.800 -0.010 0.000 2.241 453 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.244 453 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.244 453 G C 0.288 175.220 174.900 0.054 0.000 0.998 453 G CA 0.048 45.172 45.100 0.040 0.000 0.621 453 G HN 0.199 nan 8.290 nan 0.000 0.519 454 L N 0.867 122.108 121.223 0.029 0.000 2.468 454 L HA 0.715 5.055 4.340 -0.001 0.000 0.254 454 L C 1.145 178.040 176.870 0.042 0.000 1.171 454 L CA -0.664 54.153 54.840 -0.038 0.000 0.809 454 L CB 1.047 43.074 42.059 -0.055 0.000 1.155 454 L HN 0.378 nan 8.230 nan 0.000 0.473 455 V N -2.434 117.436 119.914 -0.073 0.000 3.126 455 V HA 0.744 4.863 4.120 -0.001 0.000 0.314 455 V C -0.604 175.574 176.094 0.140 0.000 1.138 455 V CA -0.833 61.462 62.300 -0.009 0.000 1.034 455 V CB 1.779 33.383 31.823 -0.366 0.000 1.075 455 V HN 0.905 nan 8.190 nan 0.000 0.442 456 C N 1.802 121.229 119.300 0.212 0.000 2.898 456 C HA 0.799 5.258 4.460 -0.001 0.000 0.304 456 C C -0.288 174.782 174.990 0.133 0.000 1.237 456 C CA -0.676 58.510 59.018 0.279 0.000 1.529 456 C CB 1.620 29.525 27.740 0.276 0.000 2.021 456 C HN 1.102 nan 8.230 nan 0.000 0.474 457 Q N 0.278 119.912 119.800 -0.276 0.000 2.241 457 Q HA 0.832 5.171 4.340 -0.001 0.000 0.262 457 Q C -0.634 175.249 176.000 -0.196 0.000 1.014 457 Q CA -0.361 55.038 55.803 -0.674 0.000 0.885 457 Q CB 1.604 29.487 28.738 -1.425 0.000 1.311 457 Q HN 0.666 nan 8.270 nan 0.000 0.461 458 T N 0.145 114.651 114.554 -0.081 0.000 2.901 458 T HA 0.289 4.638 4.350 -0.001 0.000 0.293 458 T C -1.092 173.702 174.700 0.157 0.000 1.084 458 T CA -0.794 61.410 62.100 0.173 0.000 1.008 458 T CB 1.357 70.393 68.868 0.281 0.000 1.170 458 T HN 0.638 nan 8.240 nan 0.000 0.509 459 N N 2.872 121.571 118.700 -0.002 0.000 2.452 459 N HA 0.227 4.966 4.740 -0.001 0.000 0.266 459 N C -0.978 174.317 175.510 -0.358 0.000 1.175 459 N CA -0.103 52.634 53.050 -0.522 0.000 0.945 459 N CB -0.128 37.675 38.487 -1.140 0.000 1.063 459 N HN 0.410 nan 8.380 nan 0.000 0.472 460 I N 2.712 123.123 120.570 -0.264 0.000 2.410 460 I HA 0.203 4.373 4.170 -0.001 0.000 0.286 460 I C 0.726 176.809 176.117 -0.055 0.000 1.009 460 I CA -0.591 60.574 61.300 -0.225 0.000 1.111 460 I CB 0.766 38.641 38.000 -0.208 0.000 1.262 460 I HN 0.509 nan 8.210 nan 0.000 0.443 461 T N 1.555 116.096 114.554 -0.022 0.000 2.936 461 T HA 0.295 4.644 4.350 -0.001 0.000 0.282 461 T C 0.858 175.757 174.700 0.333 0.000 1.003 461 T CA -0.667 61.545 62.100 0.186 0.000 1.005 461 T CB 1.689 70.678 68.868 0.202 0.000 1.097 461 T HN 0.741 nan 8.240 nan 0.000 0.532 462 C N 0.507 120.045 119.300 0.397 0.000 2.319 462 C HA 0.549 5.008 4.460 -0.001 0.000 0.350 462 C C -0.037 175.074 174.990 0.202 0.000 1.326 462 C CA -1.272 57.886 59.018 0.233 0.000 1.737 462 C CB -2.761 25.059 27.740 0.133 0.000 1.988 462 C HN 0.615 nan 8.230 nan 0.000 0.582 463 F N 2.316 122.324 119.950 0.096 0.000 2.371 463 F HA 0.541 5.067 4.527 -0.001 0.000 0.363 463 F C 0.089 175.857 175.800 -0.053 0.000 1.122 463 F CA -0.692 57.271 58.000 -0.062 0.000 1.129 463 F CB 1.013 39.984 39.000 -0.048 0.000 1.173 463 F HN 0.028 nan 8.300 nan 0.000 0.489 464 L N 4.830 126.033 121.223 -0.032 0.000 2.276 464 L HA 0.418 4.758 4.340 -0.001 0.000 0.286 464 L C 0.437 177.379 176.870 0.119 0.000 1.024 464 L CA -0.599 54.345 54.840 0.173 0.000 0.826 464 L CB 0.855 43.029 42.059 0.192 0.000 1.211 464 L HN 0.621 nan 8.230 nan 0.000 0.422 465 R N 1.933 122.541 120.500 0.181 0.000 2.758 465 R HA -0.103 4.236 4.340 -0.001 0.000 0.263 465 R C 0.575 176.910 176.300 0.059 0.000 1.010 465 R CA 0.692 56.800 56.100 0.013 0.000 1.114 465 R CB 0.647 30.848 30.300 -0.166 0.000 0.985 465 R HN 0.694 nan 8.270 nan 0.000 0.439 466 N N -0.330 118.360 118.700 -0.016 0.000 2.559 466 N HA -0.059 4.680 4.740 -0.001 0.000 0.247 466 N C -1.159 174.343 175.510 -0.013 0.000 1.063 466 N CA 0.203 53.240 53.050 -0.021 0.000 0.876 466 N CB 0.413 38.858 38.487 -0.070 0.000 1.608 466 N HN 0.652 nan 8.380 nan 0.000 0.467 467 D N 0.796 121.185 120.400 -0.017 0.000 2.398 467 D HA 0.037 4.676 4.640 -0.001 0.000 0.250 467 D C -0.315 175.975 176.300 -0.016 0.000 1.287 467 D CA 0.034 54.028 54.000 -0.009 0.000 0.992 467 D CB 0.070 40.874 40.800 0.006 0.000 1.071 467 D HN 0.193 nan 8.370 nan 0.000 0.514 468 N N 1.605 120.303 118.700 -0.003 0.000 2.254 468 N HA -0.053 4.686 4.740 -0.001 0.000 0.190 468 N C -0.245 175.264 175.510 -0.001 0.000 1.107 468 N CA -0.063 52.987 53.050 -0.001 0.000 0.869 468 N CB 0.263 38.776 38.487 0.043 0.000 0.983 468 N HN 0.480 nan 8.380 nan 0.000 0.487 469 E N -0.432 119.767 120.200 -0.001 0.000 2.340 469 E HA -0.226 4.123 4.350 -0.001 0.000 0.240 469 E C 0.941 177.543 176.600 0.002 0.000 1.154 469 E CA 0.406 56.805 56.400 -0.002 0.000 0.717 469 E CB -1.600 28.096 29.700 -0.006 0.000 1.250 469 E HN 0.482 nan 8.360 nan 0.000 0.386 470 G N -0.253 108.551 108.800 0.006 0.000 2.435 470 G HA2 -0.499 3.460 3.960 -0.001 0.000 0.245 470 G HA3 -0.499 3.460 3.960 -0.001 0.000 0.245 470 G C 0.462 175.372 174.900 0.017 0.000 1.073 470 G CA 0.819 45.924 45.100 0.009 0.000 0.638 470 G HN 0.563 nan 8.290 nan 0.000 0.521 471 Q N 2.255 122.066 119.800 0.017 0.000 2.326 471 Q HA 0.293 4.632 4.340 -0.001 0.000 0.314 471 Q C -0.352 175.680 176.000 0.054 0.000 1.091 471 Q CA 0.724 56.542 55.803 0.026 0.000 0.974 471 Q CB 0.316 29.062 28.738 0.014 0.000 1.220 471 Q HN 0.419 nan 8.270 nan 0.000 0.398 472 D N 3.174 123.611 120.400 0.062 0.000 2.277 472 D HA 0.110 4.749 4.640 -0.001 0.000 0.249 472 D C -1.236 175.164 176.300 0.167 0.000 1.134 472 D CA 0.153 54.206 54.000 0.087 0.000 0.863 472 D CB 0.520 41.353 40.800 0.055 0.000 1.143 472 D HN 0.528 nan 8.370 nan 0.000 0.458 473 Y N 2.600 122.911 120.300 0.018 0.000 2.349 473 Y HA 0.087 4.636 4.550 -0.001 0.000 0.324 473 Y C 0.925 176.855 175.900 0.052 0.000 1.005 473 Y CA -0.818 57.302 58.100 0.033 0.000 1.240 473 Y CB 1.029 39.508 38.460 0.031 0.000 1.117 473 Y HN 0.337 nan 8.280 nan 0.000 0.463 474 E N 3.116 123.243 120.200 -0.121 0.000 2.110 474 E HA -0.103 4.247 4.350 -0.001 0.000 0.193 474 E C 1.132 177.591 176.600 -0.236 0.000 0.988 474 E CA 1.594 57.914 56.400 -0.133 0.000 0.804 474 E CB 0.393 30.062 29.700 -0.052 0.000 0.745 474 E HN 0.660 nan 8.360 nan 0.000 0.458 475 V N 1.974 121.571 119.914 -0.529 0.000 2.427 475 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 475 V C 2.414 178.423 176.094 -0.141 0.000 1.051 475 V CA 1.932 64.070 62.300 -0.269 0.000 1.048 475 V CB -0.786 30.885 31.823 -0.254 0.000 0.666 475 V HN 0.286 nan 8.190 nan 0.000 0.456 476 N N -0.123 118.285 118.700 -0.486 0.000 2.216 476 N HA -0.172 4.567 4.740 -0.001 0.000 0.183 476 N C 1.918 177.369 175.510 -0.098 0.000 1.017 476 N CA 1.241 54.210 53.050 -0.136 0.000 0.861 476 N CB -0.264 38.251 38.487 0.047 0.000 0.986 476 N HN 0.318 nan 8.380 nan 0.000 0.428 477 Q N 0.039 119.777 119.800 -0.103 0.000 2.084 477 Q HA -0.092 4.247 4.340 -0.001 0.000 0.202 477 Q C 1.610 177.579 176.000 -0.053 0.000 0.978 477 Q CA 2.067 57.837 55.803 -0.055 0.000 0.844 477 Q CB -0.738 27.980 28.738 -0.035 0.000 0.898 477 Q HN 0.690 nan 8.270 nan 0.000 0.426 478 T N -1.387 113.147 114.554 -0.033 0.000 3.035 478 T HA -0.081 4.268 4.350 -0.001 0.000 0.268 478 T C 1.866 176.420 174.700 -0.244 0.000 1.109 478 T CA 0.798 62.880 62.100 -0.030 0.000 1.119 478 T CB -0.167 68.807 68.868 0.176 0.000 0.900 478 T HN 0.164 nan 8.240 nan 0.000 0.503 479 L N 0.364 121.404 121.223 -0.305 0.000 2.131 479 L HA 0.269 4.608 4.340 -0.001 0.000 0.206 479 L C 2.764 179.557 176.870 -0.129 0.000 1.087 479 L CA 1.115 55.661 54.840 -0.491 0.000 0.767 479 L CB -0.175 41.628 42.059 -0.427 0.000 0.917 479 L HN 0.030 nan 8.230 nan 0.000 0.441 480 R N -0.547 119.939 120.500 -0.023 0.000 2.075 480 R HA -0.098 4.241 4.340 -0.001 0.000 0.232 480 R C 2.148 178.495 176.300 0.079 0.000 1.126 480 R CA 1.289 57.462 56.100 0.123 0.000 0.963 480 R CB -0.347 29.948 30.300 -0.009 0.000 0.858 480 R HN 0.342 nan 8.270 nan 0.000 0.435 481 E N 0.872 121.058 120.200 -0.024 0.000 2.038 481 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 481 E C 1.726 178.283 176.600 -0.072 0.000 1.000 481 E CA 1.390 57.767 56.400 -0.039 0.000 0.803 481 E CB -0.095 29.577 29.700 -0.047 0.000 0.750 481 E HN 0.343 nan 8.360 nan 0.000 0.448 482 R N 0.486 120.903 120.500 -0.138 0.000 2.320 482 R HA 0.097 4.437 4.340 -0.001 0.000 0.211 482 R C 0.181 176.341 176.300 -0.234 0.000 0.931 482 R CA -0.060 55.937 56.100 -0.172 0.000 1.071 482 R CB 0.028 30.206 30.300 -0.203 0.000 1.025 482 R HN 0.177 nan 8.270 nan 0.000 0.495 483 Q N 0.369 120.017 119.800 -0.253 0.000 2.434 483 Q HA -0.179 4.161 4.340 -0.001 0.000 0.299 483 Q C -0.001 175.615 176.000 -0.640 0.000 1.286 483 Q CA 0.316 55.806 55.803 -0.521 0.000 0.872 483 Q CB -1.150 27.352 28.738 -0.394 0.000 1.193 483 Q HN 0.458 nan 8.270 nan 0.000 0.466 484 L N 0.230 121.140 121.223 -0.521 0.000 2.653 484 L HA 0.145 4.484 4.340 -0.001 0.000 0.231 484 L C 0.433 177.068 176.870 -0.391 0.000 1.153 484 L CA -0.291 54.277 54.840 -0.452 0.000 0.933 484 L CB -0.267 41.476 42.059 -0.527 0.000 1.175 484 L HN 0.313 nan 8.230 nan 0.000 0.473 485 Y N -2.765 117.390 120.300 -0.242 0.000 2.403 485 Y HA 0.508 5.057 4.550 -0.001 0.000 0.323 485 Y C 0.594 176.435 175.900 -0.098 0.000 1.226 485 Y CA -1.364 56.632 58.100 -0.172 0.000 1.235 485 Y CB 0.025 38.408 38.460 -0.128 0.000 1.248 485 Y HN -0.225 nan 8.280 nan 0.000 0.489 486 T N 3.735 118.392 114.554 0.171 0.000 2.870 486 T HA 0.187 4.536 4.350 -0.001 0.000 0.300 486 T C -0.207 174.644 174.700 0.252 0.000 0.989 486 T CA -0.618 61.542 62.100 0.101 0.000 1.139 486 T CB 0.134 69.065 68.868 0.105 0.000 0.920 486 T HN 0.493 nan 8.240 nan 0.000 0.537 487 K N 2.528 123.010 120.400 0.137 0.000 2.095 487 K HA 0.234 4.553 4.320 -0.001 0.000 0.252 487 K C 0.885 177.626 176.600 0.236 0.000 0.977 487 K CA -0.895 55.521 56.287 0.215 0.000 0.900 487 K CB 0.563 33.134 32.500 0.118 0.000 1.060 487 K HN 0.536 nan 8.250 nan 0.000 0.449 488 N N 0.627 119.503 118.700 0.294 0.000 2.413 488 N HA -0.040 4.699 4.740 -0.001 0.000 0.207 488 N C -0.669 175.096 175.510 0.424 0.000 1.206 488 N CA 0.119 53.439 53.050 0.450 0.000 0.832 488 N CB -0.118 38.613 38.487 0.406 0.000 1.037 488 N HN 0.354 nan 8.380 nan 0.000 0.467 489 D N 0.490 121.042 120.400 0.255 0.000 2.339 489 D HA 0.263 4.903 4.640 -0.001 0.000 0.245 489 D C 0.124 176.548 176.300 0.206 0.000 1.115 489 D CA 0.203 54.303 54.000 0.166 0.000 0.917 489 D CB 1.281 42.132 40.800 0.085 0.000 1.192 489 D HN 0.420 nan 8.370 nan 0.000 0.428 490 S N -0.496 115.274 115.700 0.115 0.000 2.537 490 S HA 0.294 4.763 4.470 -0.001 0.000 0.271 490 S C 0.254 174.874 174.600 0.034 0.000 1.148 490 S CA -0.879 57.375 58.200 0.090 0.000 0.868 490 S CB 0.583 63.845 63.200 0.104 0.000 1.115 490 S HN 0.313 nan 8.310 nan 0.000 0.461 491 L N 1.386 122.635 121.223 0.043 0.000 2.675 491 L HA 0.169 4.508 4.340 -0.001 0.000 0.239 491 L C 1.687 178.602 176.870 0.075 0.000 1.151 491 L CA 0.720 55.604 54.840 0.073 0.000 0.905 491 L CB -1.138 40.998 42.059 0.127 0.000 1.057 491 L HN 0.997 nan 8.230 nan 0.000 0.435 492 T N -5.550 109.013 114.554 0.015 0.000 3.043 492 T HA 0.288 4.637 4.350 -0.001 0.000 0.272 492 T C 1.384 176.054 174.700 -0.049 0.000 0.990 492 T CA 0.342 62.441 62.100 -0.003 0.000 0.897 492 T CB 0.891 69.727 68.868 -0.054 0.000 1.111 492 T HN 0.286 nan 8.240 nan 0.000 0.529 493 G N 1.862 110.618 108.800 -0.073 0.000 2.160 493 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.251 493 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.251 493 G C 0.126 174.909 174.900 -0.194 0.000 1.008 493 G CA 0.264 45.301 45.100 -0.104 0.000 0.724 493 G HN 0.687 nan 8.290 nan 0.000 0.514 494 T N 0.985 115.360 114.554 -0.298 0.000 2.916 494 T HA 0.336 4.685 4.350 -0.001 0.000 0.303 494 T C 0.130 174.386 174.700 -0.739 0.000 1.025 494 T CA 0.406 62.221 62.100 -0.474 0.000 1.142 494 T CB 1.377 69.936 68.868 -0.516 0.000 0.947 494 T HN 0.290 nan 8.240 nan 0.000 0.544 495 D N 2.380 122.455 120.400 -0.542 0.000 2.412 495 D HA 0.153 4.792 4.640 -0.001 0.000 0.224 495 D C 0.019 176.066 176.300 -0.423 0.000 1.093 495 D CA -0.530 53.200 54.000 -0.450 0.000 0.850 495 D CB 0.388 41.055 40.800 -0.221 0.000 1.046 495 D HN 0.370 nan 8.370 nan 0.000 0.507 496 F N 2.282 122.152 119.950 -0.132 0.000 2.811 496 F HA 0.260 4.786 4.527 -0.001 0.000 0.301 496 F C 1.748 177.441 175.800 -0.179 0.000 1.151 496 F CA 0.454 58.331 58.000 -0.205 0.000 1.412 496 F CB -0.209 38.652 39.000 -0.232 0.000 1.113 496 F HN 0.554 nan 8.300 nan 0.000 0.579 497 G N 0.646 109.444 108.800 -0.003 0.000 2.555 497 G HA2 0.192 4.151 3.960 -0.001 0.000 0.686 497 G HA3 0.192 4.151 3.960 -0.001 0.000 0.686 497 G C -1.446 173.423 174.900 -0.051 0.000 1.275 497 G CA -0.596 44.488 45.100 -0.026 0.000 0.871 497 G HN 0.143 nan 8.290 nan 0.000 0.603 498 M N 0.227 119.797 119.600 -0.050 0.000 2.520 498 M HA 0.787 5.267 4.480 -0.001 0.000 0.280 498 M C 0.231 176.504 176.300 -0.046 0.000 1.232 498 M CA 0.320 55.591 55.300 -0.050 0.000 0.892 498 M CB 1.756 34.334 32.600 -0.037 0.000 1.728 498 M HN 1.947 nan 8.290 nan 0.000 0.475 499 T N -1.590 112.936 114.554 -0.047 0.000 2.804 499 T HA 0.604 4.953 4.350 -0.001 0.000 0.272 499 T C -0.051 174.628 174.700 -0.034 0.000 0.986 499 T CA -0.464 61.614 62.100 -0.037 0.000 0.999 499 T CB 0.776 69.624 68.868 -0.032 0.000 1.307 499 T HN 0.593 nan 8.240 nan 0.000 0.586 500 D N -0.157 120.227 120.400 -0.027 0.000 2.333 500 D HA 0.075 4.715 4.640 -0.001 0.000 0.208 500 D C 1.264 177.547 176.300 -0.028 0.000 0.984 500 D CA 0.374 54.359 54.000 -0.025 0.000 0.873 500 D CB 0.003 40.792 40.800 -0.018 0.000 0.935 500 D HN 0.522 nan 8.370 nan 0.000 0.521 501 D N 0.624 121.005 120.400 -0.033 0.000 2.277 501 D HA 0.035 4.674 4.640 -0.001 0.000 0.208 501 D C 1.518 177.783 176.300 -0.058 0.000 0.962 501 D CA 0.876 54.854 54.000 -0.038 0.000 0.865 501 D CB 0.629 41.407 40.800 -0.036 0.000 0.939 501 D HN 0.185 nan 8.370 nan 0.000 0.510 502 G N 1.921 110.680 108.800 -0.068 0.000 2.601 502 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.261 502 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.261 502 G C -2.380 172.424 174.900 -0.160 0.000 1.289 502 G CA -0.290 44.754 45.100 -0.093 0.000 0.920 502 G HN 0.100 nan 8.290 nan 0.000 0.571 503 P HA 0.237 nan 4.420 nan 0.000 0.277 503 P C 1.259 178.505 177.300 -0.090 0.000 1.276 503 P CA 0.865 63.879 63.100 -0.143 0.000 0.788 503 P CB 0.697 32.298 31.700 -0.165 0.000 1.114 504 S N -0.710 114.969 115.700 -0.034 0.000 2.419 504 S HA -0.162 4.307 4.470 -0.001 0.000 0.233 504 S C 1.005 175.616 174.600 0.018 0.000 1.016 504 S CA 1.467 59.661 58.200 -0.009 0.000 0.974 504 S CB -1.009 62.192 63.200 0.002 0.000 0.786 504 S HN 0.645 nan 8.310 nan 0.000 0.492 505 D N 0.984 121.416 120.400 0.053 0.000 2.538 505 D HA 0.467 5.106 4.640 -0.001 0.000 0.231 505 D C 0.043 176.461 176.300 0.197 0.000 1.229 505 D CA -0.216 53.855 54.000 0.118 0.000 0.828 505 D CB 0.150 41.029 40.800 0.132 0.000 1.035 505 D HN 0.452 nan 8.370 nan 0.000 0.495 506 A N 0.344 123.214 122.820 0.084 0.000 2.325 506 A HA 0.473 4.793 4.320 -0.001 0.000 0.333 506 A C -1.174 176.488 177.584 0.130 0.000 1.155 506 A CA -0.862 51.222 52.037 0.079 0.000 0.814 506 A CB 0.868 19.590 19.000 -0.463 0.000 1.206 506 A HN 0.274 nan 8.150 nan 0.000 0.482 507 Y N 2.224 122.607 120.300 0.138 0.000 2.496 507 Y HA 0.428 4.977 4.550 -0.001 0.000 0.334 507 Y C -0.305 175.676 175.900 0.134 0.000 1.080 507 Y CA 0.328 58.514 58.100 0.143 0.000 1.355 507 Y CB 0.191 38.742 38.460 0.152 0.000 1.193 507 Y HN 0.465 nan 8.280 nan 0.000 0.523 508 I N 7.480 127.929 120.570 -0.202 0.000 2.405 508 I HA 0.378 4.548 4.170 -0.001 0.000 0.280 508 I C 0.635 176.706 176.117 -0.077 0.000 1.027 508 I CA -0.465 60.789 61.300 -0.076 0.000 1.161 508 I CB 0.860 38.797 38.000 -0.105 0.000 1.300 508 I HN 0.758 nan 8.210 nan 0.000 0.463 509 G N 3.447 112.428 108.800 0.301 0.000 2.557 509 G HA2 0.467 4.427 3.960 -0.001 0.000 0.302 509 G HA3 0.467 4.427 3.960 -0.001 0.000 0.302 509 G C -1.425 173.644 174.900 0.282 0.000 1.311 509 G CA -0.194 45.128 45.100 0.371 0.000 1.030 509 G HN 0.581 nan 8.290 nan 0.000 0.509 510 H N -1.854 117.318 119.070 0.170 0.000 2.821 510 H HA 0.623 5.178 4.556 -0.001 0.000 0.373 510 H C -1.415 174.004 175.328 0.151 0.000 1.165 510 H CA -0.656 55.456 56.048 0.107 0.000 1.154 510 H CB 2.060 31.828 29.762 0.011 0.000 1.765 510 H HN 0.376 nan 8.280 nan 0.000 0.549 511 L N 3.257 124.298 121.223 -0.303 0.000 2.342 511 L HA 0.361 4.700 4.340 -0.001 0.000 0.276 511 L C -1.321 175.268 176.870 -0.468 0.000 0.997 511 L CA -0.383 54.197 54.840 -0.433 0.000 0.838 511 L CB 1.132 42.822 42.059 -0.615 0.000 1.224 511 L HN 0.687 nan 8.230 nan 0.000 0.416 512 D N 2.934 123.125 120.400 -0.347 0.000 2.481 512 D HA 0.289 4.928 4.640 -0.001 0.000 0.246 512 D C -0.631 175.561 176.300 -0.180 0.000 1.109 512 D CA -0.050 53.856 54.000 -0.158 0.000 0.845 512 D CB 0.845 41.670 40.800 0.043 0.000 1.160 512 D HN 0.399 nan 8.370 nan 0.000 0.534 513 Y N 2.404 122.752 120.300 0.079 0.000 2.555 513 Y HA 0.464 5.013 4.550 -0.001 0.000 0.259 513 Y C 1.226 177.307 175.900 0.302 0.000 1.179 513 Y CA 0.179 58.389 58.100 0.184 0.000 1.230 513 Y CB 0.563 39.180 38.460 0.263 0.000 1.146 513 Y HN 0.637 nan 8.280 nan 0.000 0.526 514 G N -0.665 108.315 108.800 0.299 0.000 2.699 514 G HA2 0.174 4.133 3.960 -0.001 0.000 0.686 514 G HA3 0.174 4.133 3.960 -0.001 0.000 0.686 514 G C 0.495 175.581 174.900 0.310 0.000 1.301 514 G CA -0.361 44.882 45.100 0.239 0.000 0.816 514 G HN 0.933 nan 8.290 nan 0.000 0.595 515 G N -0.638 108.311 108.800 0.249 0.000 2.421 515 G HA2 0.337 4.296 3.960 -0.001 0.000 0.300 515 G HA3 0.337 4.296 3.960 -0.001 0.000 0.300 515 G C 2.318 177.261 174.900 0.072 0.000 0.974 515 G CA 1.289 46.468 45.100 0.131 0.000 1.062 515 G HN 3.037 nan 8.290 nan 0.000 0.514 516 G N -2.843 106.011 108.800 0.089 0.000 2.166 516 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.260 516 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.260 516 G C 0.466 175.412 174.900 0.076 0.000 0.986 516 G CA 0.571 45.714 45.100 0.071 0.000 0.683 516 G HN 1.697 nan 8.290 nan 0.000 0.527 517 V N 1.923 121.906 119.914 0.116 0.000 2.338 517 V HA 0.548 4.667 4.120 -0.001 0.000 0.255 517 V C 0.448 176.628 176.094 0.142 0.000 1.082 517 V CA 0.651 63.038 62.300 0.144 0.000 0.951 517 V CB 0.359 32.310 31.823 0.215 0.000 1.102 517 V HN 0.693 nan 8.190 nan 0.000 0.489 518 E N 4.075 124.307 120.200 0.053 0.000 2.437 518 E HA 0.802 5.151 4.350 -0.001 0.000 0.280 518 E C -1.183 175.327 176.600 -0.151 0.000 1.044 518 E CA -0.945 55.413 56.400 -0.070 0.000 0.826 518 E CB 2.356 32.084 29.700 0.047 0.000 1.358 518 E HN 0.622 nan 8.360 nan 0.000 0.459 519 C N -0.590 118.442 119.300 -0.447 0.000 3.292 519 C HA 0.539 4.998 4.460 -0.001 0.000 0.338 519 C C -1.095 173.508 174.990 -0.646 0.000 1.323 519 C CA -0.943 57.858 59.018 -0.362 0.000 1.232 519 C CB 0.879 28.511 27.740 -0.180 0.000 1.517 519 C HN 0.802 nan 8.230 nan 0.000 0.470 520 D N 0.902 121.205 120.400 -0.162 0.000 2.371 520 D HA 0.653 5.293 4.640 -0.001 0.000 0.242 520 D C 0.237 176.480 176.300 -0.095 0.000 1.218 520 D CA 0.758 54.761 54.000 0.005 0.000 0.945 520 D CB 1.430 42.272 40.800 0.071 0.000 1.137 520 D HN 1.282 nan 8.370 nan 0.000 0.464 521 A N 0.266 123.012 122.820 -0.123 0.000 2.604 521 A HA 0.599 4.918 4.320 -0.001 0.000 0.295 521 A C -1.124 176.120 177.584 -0.566 0.000 1.067 521 A CA -0.676 51.167 52.037 -0.322 0.000 0.683 521 A CB 0.916 19.709 19.000 -0.345 0.000 1.281 521 A HN 0.421 nan 8.150 nan 0.000 0.407 522 L N -0.271 120.568 121.223 -0.640 0.000 2.421 522 L HA 0.852 5.191 4.340 -0.001 0.000 0.267 522 L C -1.026 175.213 176.870 -1.052 0.000 1.036 522 L CA -0.749 53.717 54.840 -0.624 0.000 0.829 522 L CB 1.309 43.198 42.059 -0.284 0.000 1.437 522 L HN 0.719 nan 8.230 nan 0.000 0.488 523 F N -1.216 118.674 119.950 -0.100 0.000 2.641 523 F HA 0.382 4.908 4.527 -0.001 0.000 0.308 523 F C -2.514 173.149 175.800 -0.228 0.000 1.105 523 F CA -2.047 55.839 58.000 -0.191 0.000 0.964 523 F CB 1.238 40.092 39.000 -0.244 0.000 1.294 523 F HN 0.084 nan 8.300 nan 0.000 0.442 524 P HA 0.067 nan 4.420 nan 0.000 0.275 524 P C -0.658 176.119 177.300 -0.872 0.000 1.276 524 P CA -0.023 62.624 63.100 -0.755 0.000 0.782 524 P CB 0.366 31.145 31.700 -1.536 0.000 0.851 525 D N 2.979 123.100 120.400 -0.464 0.000 2.429 525 D HA -0.025 4.614 4.640 -0.001 0.000 0.253 525 D C 0.488 176.618 176.300 -0.282 0.000 1.294 525 D CA -0.012 53.806 54.000 -0.303 0.000 1.063 525 D CB -0.101 40.576 40.800 -0.204 0.000 1.096 525 D HN 0.326 nan 8.370 nan 0.000 0.516 526 W N 2.397 123.642 121.300 -0.091 0.000 2.350 526 W HA -0.075 4.584 4.660 -0.001 0.000 0.289 526 W C 2.497 178.973 176.519 -0.073 0.000 1.215 526 W CA 0.627 57.909 57.345 -0.105 0.000 1.236 526 W CB -0.330 29.021 29.460 -0.182 0.000 1.130 526 W HN 0.473 nan 8.180 nan 0.000 0.541 527 G N 0.714 109.591 108.800 0.128 0.000 2.469 527 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.220 527 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.220 527 G C 0.846 175.776 174.900 0.051 0.000 1.136 527 G CA 0.212 45.354 45.100 0.069 0.000 0.759 527 G HN 0.125 nan 8.290 nan 0.000 0.562 528 R N 1.260 121.769 120.500 0.014 0.000 2.679 528 R HA 0.213 4.553 4.340 -0.001 0.000 0.268 528 R C -2.134 174.186 176.300 0.033 0.000 1.044 528 R CA -1.152 54.944 56.100 -0.005 0.000 1.105 528 R CB 0.264 30.524 30.300 -0.066 0.000 0.989 528 R HN 0.204 nan 8.270 nan 0.000 0.447 529 P HA 0.070 nan 4.420 nan 0.000 0.276 529 P C -0.695 176.634 177.300 0.048 0.000 1.244 529 P CA -0.102 63.027 63.100 0.049 0.000 0.801 529 P CB 0.741 32.463 31.700 0.036 0.000 1.006 530 D N -0.974 119.473 120.400 0.079 0.000 2.792 530 D HA -0.138 4.501 4.640 -0.001 0.000 0.192 530 D C 1.222 177.611 176.300 0.149 0.000 1.007 530 D CA 0.855 54.911 54.000 0.095 0.000 1.020 530 D CB -1.796 39.032 40.800 0.046 0.000 1.089 530 D HN 0.131 nan 8.370 nan 0.000 0.438 531 V N 0.071 120.072 119.914 0.145 0.000 2.649 531 V HA 0.034 4.154 4.120 -0.001 0.000 0.248 531 V C 2.473 178.801 176.094 0.389 0.000 1.054 531 V CA 2.026 64.446 62.300 0.199 0.000 1.073 531 V CB -0.056 31.795 31.823 0.047 0.000 0.699 531 V HN 0.454 nan 8.190 nan 0.000 0.463 532 A N -0.335 122.698 122.820 0.355 0.000 1.930 532 A HA -0.143 4.176 4.320 -0.001 0.000 0.215 532 A C 2.096 179.889 177.584 0.347 0.000 1.176 532 A CA 1.585 53.873 52.037 0.419 0.000 0.632 532 A CB -0.360 18.805 19.000 0.275 0.000 0.819 532 A HN 0.491 nan 8.150 nan 0.000 0.445 533 E N -0.607 119.743 120.200 0.249 0.000 2.038 533 E HA -0.245 4.104 4.350 -0.001 0.000 0.195 533 E C 1.645 178.367 176.600 0.203 0.000 1.000 533 E CA 1.815 58.326 56.400 0.184 0.000 0.803 533 E CB -0.491 29.297 29.700 0.147 0.000 0.750 533 E HN 0.699 nan 8.360 nan 0.000 0.448 534 W N 0.570 121.942 121.300 0.119 0.000 2.335 534 W HA -0.211 4.448 4.660 -0.001 0.000 0.311 534 W C 2.205 178.819 176.519 0.158 0.000 1.213 534 W CA 2.259 59.660 57.345 0.094 0.000 1.274 534 W CB -0.836 28.663 29.460 0.066 0.000 1.148 534 W HN 0.293 nan 8.180 nan 0.000 0.498 535 W N 1.199 122.534 121.300 0.058 0.000 2.315 535 W HA -0.236 4.423 4.660 -0.001 0.000 0.323 535 W C 2.185 178.605 176.519 -0.164 0.000 1.233 535 W CA 2.027 59.325 57.345 -0.078 0.000 1.267 535 W CB -0.997 28.708 29.460 0.409 0.000 1.160 535 W HN 0.046 nan 8.180 nan 0.000 0.474 536 G N 0.714 109.519 108.800 0.007 0.000 2.476 536 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.218 536 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.218 536 G C 1.207 175.976 174.900 -0.218 0.000 1.164 536 G CA 1.337 46.388 45.100 -0.083 0.000 0.768 536 G HN 0.240 nan 8.290 nan 0.000 0.560 537 N N 1.077 119.621 118.700 -0.261 0.000 2.519 537 N HA -0.060 4.679 4.740 -0.001 0.000 0.186 537 N C 1.789 177.012 175.510 -0.479 0.000 1.062 537 N CA 0.478 53.365 53.050 -0.272 0.000 0.910 537 N CB -0.263 38.107 38.487 -0.194 0.000 0.958 537 N HN 0.206 nan 8.380 nan 0.000 0.445 538 N N -0.227 117.969 118.700 -0.841 0.000 2.331 538 N HA -0.061 4.678 4.740 -0.001 0.000 0.180 538 N C 1.021 175.728 175.510 -1.339 0.000 1.019 538 N CA 0.503 52.765 53.050 -1.313 0.000 0.881 538 N CB -0.261 36.982 38.487 -2.073 0.000 0.972 538 N HN 0.349 nan 8.380 nan 0.000 0.435 539 Y N 1.249 120.955 120.300 -0.990 0.000 2.574 539 Y HA 0.019 4.568 4.550 -0.001 0.000 0.294 539 Y C 1.977 177.407 175.900 -0.783 0.000 1.142 539 Y CA 0.761 58.359 58.100 -0.836 0.000 1.314 539 Y CB 0.142 38.112 38.460 -0.817 0.000 0.991 539 Y HN 0.001 nan 8.280 nan 0.000 0.555 540 K N 0.242 120.452 120.400 -0.316 0.000 2.147 540 K HA -0.179 4.140 4.320 -0.001 0.000 0.205 540 K C 1.682 178.231 176.600 -0.085 0.000 1.049 540 K CA 1.260 57.500 56.287 -0.080 0.000 0.936 540 K CB -0.116 32.355 32.500 -0.047 0.000 0.722 540 K HN 0.280 nan 8.250 nan 0.000 0.446 541 K N 0.505 120.789 120.400 -0.193 0.000 2.442 541 K HA -0.069 4.250 4.320 -0.001 0.000 0.198 541 K C 1.637 178.246 176.600 0.015 0.000 1.044 541 K CA 0.765 57.003 56.287 -0.082 0.000 0.948 541 K CB 0.125 32.548 32.500 -0.128 0.000 0.762 541 K HN 0.131 nan 8.250 nan 0.000 0.472 542 L N -1.803 119.386 121.223 -0.056 0.000 2.577 542 L HA 0.116 4.455 4.340 -0.001 0.000 0.225 542 L C 1.364 178.291 176.870 0.095 0.000 1.053 542 L CA -0.101 54.753 54.840 0.024 0.000 0.866 542 L CB 0.049 42.071 42.059 -0.061 0.000 1.132 542 L HN 0.003 nan 8.230 nan 0.000 0.486 543 F N 1.013 121.029 119.950 0.110 0.000 2.128 543 F HA -0.147 4.379 4.527 -0.001 0.000 0.295 543 F C 2.923 178.791 175.800 0.113 0.000 1.100 543 F CA 1.285 59.341 58.000 0.094 0.000 1.260 543 F CB -1.104 37.939 39.000 0.072 0.000 1.009 543 F HN 0.087 nan 8.300 nan 0.000 0.476 544 S N 0.646 116.520 115.700 0.291 0.000 2.537 544 S HA -0.124 4.345 4.470 -0.001 0.000 0.240 544 S C 1.573 176.312 174.600 0.231 0.000 0.981 544 S CA 1.137 59.468 58.200 0.219 0.000 0.948 544 S CB -1.284 62.014 63.200 0.162 0.000 0.759 544 S HN 0.603 nan 8.310 nan 0.000 0.531 545 I N -4.028 116.697 120.570 0.259 0.000 4.018 545 I HA 0.629 4.798 4.170 -0.001 0.000 0.337 545 I C 1.342 177.624 176.117 0.274 0.000 1.327 545 I CA 0.126 61.587 61.300 0.269 0.000 1.100 545 I CB 0.248 38.426 38.000 0.297 0.000 1.025 545 I HN 0.323 nan 8.210 nan 0.000 0.396 546 G N 1.781 110.756 108.800 0.292 0.000 2.260 546 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.179 546 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.179 546 G C -0.156 174.803 174.900 0.099 0.000 1.002 546 G CA -0.126 45.133 45.100 0.264 0.000 0.677 546 G HN 0.243 nan 8.290 nan 0.000 0.486 547 L N 2.600 123.806 121.223 -0.027 0.000 2.615 547 L HA 0.323 4.662 4.340 -0.001 0.000 0.271 547 L C 1.071 177.991 176.870 0.083 0.000 1.183 547 L CA 0.751 55.358 54.840 -0.388 0.000 0.933 547 L CB 0.154 42.033 42.059 -0.300 0.000 1.199 547 L HN 0.266 nan 8.230 nan 0.000 0.487 548 D N 5.257 125.684 120.400 0.046 0.000 2.165 548 D HA 0.007 4.646 4.640 -0.001 0.000 0.213 548 D C 0.438 177.000 176.300 0.436 0.000 0.983 548 D CA 1.786 55.953 54.000 0.278 0.000 0.881 548 D CB 0.029 40.957 40.800 0.214 0.000 1.028 548 D HN 0.552 nan 8.370 nan 0.000 0.457 549 F N -0.477 119.525 119.950 0.086 0.000 2.782 549 F HA 0.656 5.183 4.527 -0.001 0.000 0.366 549 F C -0.582 175.263 175.800 0.075 0.000 1.171 549 F CA -1.345 56.728 58.000 0.120 0.000 1.064 549 F CB 1.033 40.132 39.000 0.165 0.000 1.449 549 F HN -0.377 nan 8.300 nan 0.000 0.520 550 V N 0.535 120.440 119.914 -0.016 0.000 2.667 550 V HA 0.194 4.313 4.120 -0.001 0.000 0.308 550 V C -1.615 174.415 176.094 -0.107 0.000 1.048 550 V CA -0.423 61.853 62.300 -0.040 0.000 0.928 550 V CB 1.854 33.692 31.823 0.025 0.000 1.004 550 V HN 0.768 nan 8.190 nan 0.000 0.444 551 W N 4.395 125.547 121.300 -0.246 0.000 2.453 551 W HA 0.527 5.186 4.660 -0.001 0.000 0.298 551 W C -0.294 176.186 176.519 -0.064 0.000 0.983 551 W CA -1.534 55.656 57.345 -0.258 0.000 1.600 551 W CB 0.871 30.109 29.460 -0.371 0.000 1.430 551 W HN 0.588 nan 8.180 nan 0.000 0.422 552 Q N 3.718 123.672 119.800 0.256 0.000 2.324 552 Q HA 0.169 4.508 4.340 -0.001 0.000 0.257 552 Q C -0.485 175.639 176.000 0.206 0.000 1.080 552 Q CA 0.849 56.766 55.803 0.190 0.000 0.907 552 Q CB 0.481 29.317 28.738 0.165 0.000 1.274 552 Q HN 0.364 nan 8.270 nan 0.000 0.434 553 D N 1.841 122.277 120.400 0.061 0.000 2.621 553 D HA 0.330 4.969 4.640 -0.001 0.000 0.255 553 D C -0.056 176.282 176.300 0.063 0.000 1.122 553 D CA -0.429 53.607 54.000 0.059 0.000 1.096 553 D CB 0.839 41.540 40.800 -0.165 0.000 1.282 553 D HN 0.493 nan 8.370 nan 0.000 0.619 554 M N 0.395 120.019 119.600 0.041 0.000 2.107 554 M HA -0.178 4.301 4.480 -0.001 0.000 0.190 554 M C 0.897 177.306 176.300 0.182 0.000 0.436 554 M CA 0.859 56.198 55.300 0.064 0.000 0.393 554 M CB -2.908 29.633 32.600 -0.099 0.000 1.003 554 M HN 0.523 nan 8.290 nan 0.000 0.939 555 T N -4.797 109.835 114.554 0.130 0.000 3.148 555 T HA 0.193 4.543 4.350 -0.001 0.000 0.253 555 T C 1.547 176.323 174.700 0.127 0.000 1.134 555 T CA 0.502 62.703 62.100 0.167 0.000 1.051 555 T CB 0.152 69.095 68.868 0.124 0.000 0.959 555 T HN 0.310 nan 8.240 nan 0.000 0.525 556 V N 1.925 121.833 119.914 -0.010 0.000 2.261 556 V HA 0.032 4.152 4.120 -0.001 0.000 0.246 556 V C -1.515 174.283 176.094 -0.493 0.000 1.047 556 V CA 0.967 63.167 62.300 -0.166 0.000 1.015 556 V CB -1.217 30.483 31.823 -0.205 0.000 0.642 556 V HN 0.436 nan 8.190 nan 0.000 0.446 557 P HA 0.184 nan 4.420 nan 0.000 0.271 557 P C -0.726 176.450 177.300 -0.207 0.000 1.220 557 P CA 0.237 63.082 63.100 -0.425 0.000 0.768 557 P CB 0.576 31.724 31.700 -0.920 0.000 0.848 558 A N 5.069 127.922 122.820 0.057 0.000 3.037 558 A HA 0.239 4.558 4.320 -0.001 0.000 0.272 558 A C 0.492 178.101 177.584 0.041 0.000 1.723 558 A CA -0.169 51.854 52.037 -0.022 0.000 1.413 558 A CB -1.163 17.825 19.000 -0.020 0.000 1.112 558 A HN 0.470 nan 8.150 nan 0.000 0.606 559 M N 0.783 120.390 119.600 0.011 0.000 2.197 559 M HA 0.307 4.787 4.480 -0.001 0.000 0.305 559 M C 0.685 176.982 176.300 -0.005 0.000 1.162 559 M CA -0.104 55.247 55.300 0.085 0.000 1.099 559 M CB 0.694 33.307 32.600 0.022 0.000 1.430 559 M HN 0.605 nan 8.290 nan 0.000 0.481 560 M N 3.551 123.185 119.600 0.058 0.000 2.239 560 M HA 0.168 4.647 4.480 -0.001 0.000 0.348 560 M C -2.055 174.285 176.300 0.066 0.000 1.239 560 M CA -1.443 53.902 55.300 0.075 0.000 1.114 560 M CB 0.591 33.284 32.600 0.156 0.000 1.641 560 M HN 0.236 nan 8.290 nan 0.000 0.453 561 P HA -0.077 nan 4.420 nan 0.000 0.267 561 P C -1.281 176.150 177.300 0.217 0.000 1.195 561 P CA 0.740 63.907 63.100 0.111 0.000 0.773 561 P CB 0.268 32.155 31.700 0.311 0.000 0.837 562 H N -0.024 119.096 119.070 0.083 0.000 3.139 562 H HA 0.213 4.768 4.556 -0.001 0.000 0.325 562 H C -1.503 174.030 175.328 0.342 0.000 1.146 562 H CA -0.687 55.464 56.048 0.172 0.000 1.351 562 H CB 1.562 31.404 29.762 0.134 0.000 2.005 562 H HN 0.375 nan 8.280 nan 0.000 0.517 563 K N 5.805 125.999 120.400 -0.344 0.000 2.185 563 K HA 0.273 4.592 4.320 -0.001 0.000 0.269 563 K C 0.121 176.419 176.600 -0.504 0.000 0.987 563 K CA -0.808 55.373 56.287 -0.175 0.000 0.865 563 K CB 0.777 33.086 32.500 -0.318 0.000 1.090 563 K HN 0.393 nan 8.250 nan 0.000 0.450 564 I N 4.387 124.887 120.570 -0.116 0.000 2.845 564 I HA -0.106 4.063 4.170 -0.001 0.000 0.290 564 I C 1.378 177.416 176.117 -0.132 0.000 1.202 564 I CA 1.849 63.062 61.300 -0.145 0.000 1.406 564 I CB -0.343 37.589 38.000 -0.115 0.000 1.383 564 I HN 1.158 nan 8.210 nan 0.000 0.549 565 G N 5.761 114.509 108.800 -0.086 0.000 2.491 565 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.203 565 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.203 565 G C 0.186 175.058 174.900 -0.046 0.000 1.052 565 G CA -0.395 44.662 45.100 -0.072 0.000 0.675 565 G HN 0.484 nan 8.290 nan 0.000 0.504 566 D N 2.151 122.496 120.400 -0.090 0.000 2.362 566 D HA 0.457 5.096 4.640 -0.001 0.000 0.238 566 D C 0.484 176.883 176.300 0.165 0.000 1.212 566 D CA 0.019 54.008 54.000 -0.019 0.000 0.902 566 D CB 0.366 41.104 40.800 -0.104 0.000 1.180 566 D HN 0.280 nan 8.370 nan 0.000 0.445 567 D N 0.077 120.536 120.400 0.098 0.000 2.362 567 D HA 0.006 4.646 4.640 -0.001 0.000 0.238 567 D C 1.531 177.872 176.300 0.067 0.000 1.212 567 D CA -0.342 53.697 54.000 0.065 0.000 0.902 567 D CB 0.537 41.336 40.800 -0.001 0.000 1.180 567 D HN 0.159 nan 8.370 nan 0.000 0.445 568 I N 1.107 121.630 120.570 -0.077 0.000 2.286 568 I HA -0.203 3.967 4.170 -0.001 0.000 0.248 568 I C 1.535 177.435 176.117 -0.361 0.000 1.115 568 I CA 1.176 62.331 61.300 -0.242 0.000 1.392 568 I CB -0.976 36.922 38.000 -0.169 0.000 1.065 568 I HN 0.450 nan 8.210 nan 0.000 0.418 569 N N 1.210 119.686 118.700 -0.372 0.000 2.276 569 N HA 0.019 4.758 4.740 -0.001 0.000 0.212 569 N C -0.180 175.185 175.510 -0.241 0.000 1.127 569 N CA 0.115 52.797 53.050 -0.614 0.000 0.834 569 N CB 0.347 38.566 38.487 -0.448 0.000 1.014 569 N HN 0.092 nan 8.380 nan 0.000 0.491 570 V N 1.893 121.763 119.914 -0.074 0.000 2.409 570 V HA 0.244 4.363 4.120 -0.001 0.000 0.291 570 V C 0.163 176.332 176.094 0.125 0.000 1.020 570 V CA -1.044 61.270 62.300 0.025 0.000 0.848 570 V CB 1.609 33.448 31.823 0.027 0.000 0.990 570 V HN 0.270 nan 8.190 nan 0.000 0.430 571 K N 4.902 125.368 120.400 0.111 0.000 2.087 571 K HA 0.694 5.014 4.320 -0.001 0.000 0.255 571 K C -2.759 173.912 176.600 0.119 0.000 0.988 571 K CA -1.744 54.641 56.287 0.163 0.000 0.915 571 K CB 0.889 33.492 32.500 0.171 0.000 1.043 571 K HN 0.273 nan 8.250 nan 0.000 0.457 572 P HA -0.077 nan 4.420 nan 0.000 0.271 572 P C -0.680 176.696 177.300 0.125 0.000 1.233 572 P CA -0.195 62.964 63.100 0.098 0.000 0.789 572 P CB 0.317 32.184 31.700 0.278 0.000 0.951 573 D N 0.476 120.923 120.400 0.078 0.000 2.583 573 D HA -0.078 4.562 4.640 -0.001 0.000 0.232 573 D C 1.598 178.020 176.300 0.203 0.000 1.128 573 D CA 0.813 54.884 54.000 0.120 0.000 0.859 573 D CB 0.690 41.546 40.800 0.094 0.000 1.169 573 D HN 0.494 nan 8.370 nan 0.000 0.481 574 G N 4.075 112.991 108.800 0.193 0.000 2.485 574 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.221 574 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.221 574 G C 1.300 176.419 174.900 0.365 0.000 1.115 574 G CA 0.269 45.520 45.100 0.251 0.000 0.751 574 G HN 0.510 nan 8.290 nan 0.000 0.567 575 N N -1.118 117.783 118.700 0.335 0.000 2.398 575 N HA 0.072 4.811 4.740 -0.001 0.000 0.188 575 N C -0.249 175.387 175.510 0.210 0.000 1.122 575 N CA -0.191 53.078 53.050 0.364 0.000 0.866 575 N CB 0.089 38.772 38.487 0.327 0.000 0.970 575 N HN 0.515 nan 8.380 nan 0.000 0.462 576 W N 2.533 123.820 121.300 -0.023 0.000 2.512 576 W HA 0.417 5.076 4.660 -0.001 0.000 0.335 576 W C -2.151 174.122 176.519 -0.411 0.000 1.088 576 W CA -1.803 55.441 57.345 -0.169 0.000 1.236 576 W CB 0.987 30.365 29.460 -0.136 0.000 1.307 576 W HN -0.116 nan 8.180 nan 0.000 0.567 577 P HA 0.311 nan 4.420 nan 0.000 0.282 577 P C -1.463 175.432 177.300 -0.674 0.000 1.287 577 P CA -0.237 61.894 63.100 -1.616 0.000 0.792 577 P CB 1.477 31.994 31.700 -1.972 0.000 1.163 578 N N -3.258 115.164 118.700 -0.464 0.000 3.039 578 N HA 0.452 5.191 4.740 -0.001 0.000 0.257 578 N C 0.510 175.869 175.510 -0.252 0.000 1.497 578 N CA -0.723 52.153 53.050 -0.292 0.000 0.861 578 N CB -0.144 38.224 38.487 -0.198 0.000 1.479 578 N HN 0.176 nan 8.380 nan 0.000 0.547 579 A N -0.498 122.123 122.820 -0.333 0.000 1.940 579 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 579 A C 1.151 178.600 177.584 -0.225 0.000 1.176 579 A CA 1.848 53.659 52.037 -0.377 0.000 0.631 579 A CB -0.872 17.664 19.000 -0.774 0.000 0.814 579 A HN 0.726 nan 8.150 nan 0.000 0.446 580 D N -0.766 119.536 120.400 -0.163 0.000 2.317 580 D HA -0.009 4.631 4.640 -0.001 0.000 0.211 580 D C -0.025 176.297 176.300 0.037 0.000 0.966 580 D CA 0.888 54.895 54.000 0.011 0.000 0.876 580 D CB 0.109 40.956 40.800 0.078 0.000 0.927 580 D HN 0.335 nan 8.370 nan 0.000 0.519 581 D N -0.099 120.309 120.400 0.014 0.000 2.945 581 D HA 0.135 4.774 4.640 -0.001 0.000 0.340 581 D C -2.557 173.760 176.300 0.029 0.000 1.240 581 D CA -1.712 52.350 54.000 0.105 0.000 0.749 581 D CB 1.109 42.044 40.800 0.225 0.000 1.217 581 D HN -0.032 nan 8.370 nan 0.000 0.514 582 P HA -0.044 nan 4.420 nan 0.000 0.270 582 P C 1.182 178.424 177.300 -0.096 0.000 1.221 582 P CA -0.001 63.054 63.100 -0.075 0.000 0.788 582 P CB 1.061 32.776 31.700 0.025 0.000 0.904 583 S N 1.211 116.802 115.700 -0.182 0.000 2.359 583 S HA -0.196 4.273 4.470 -0.001 0.000 0.224 583 S C 0.799 175.515 174.600 0.193 0.000 1.035 583 S CA 1.319 59.406 58.200 -0.188 0.000 1.018 583 S CB -1.099 62.085 63.200 -0.027 0.000 0.876 583 S HN 0.571 nan 8.310 nan 0.000 0.448 584 N N 0.847 119.677 118.700 0.216 0.000 2.725 584 N HA -0.174 4.566 4.740 -0.001 0.000 0.251 584 N C 0.558 176.227 175.510 0.265 0.000 1.031 584 N CA 1.110 54.301 53.050 0.234 0.000 0.720 584 N CB -1.890 36.719 38.487 0.203 0.000 0.930 584 N HN 0.887 nan 8.380 nan 0.000 0.543 585 G N -0.723 108.271 108.800 0.323 0.000 2.179 585 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.257 585 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.257 585 G C 0.677 175.763 174.900 0.310 0.000 1.010 585 G CA 0.957 46.249 45.100 0.320 0.000 0.736 585 G HN 0.614 nan 8.290 nan 0.000 0.513 586 Q N -2.117 117.913 119.800 0.383 0.000 2.353 586 Q HA 0.277 4.616 4.340 -0.001 0.000 0.240 586 Q C 0.618 176.976 176.000 0.595 0.000 0.868 586 Q CA -0.250 55.804 55.803 0.418 0.000 0.944 586 Q CB 0.856 29.849 28.738 0.424 0.000 1.104 586 Q HN 0.515 nan 8.270 nan 0.000 0.531 587 Y N 2.967 123.446 120.300 0.299 0.000 2.299 587 Y HA 0.069 4.618 4.550 -0.001 0.000 0.326 587 Y C 0.978 176.857 175.900 -0.034 0.000 1.164 587 Y CA -0.887 57.219 58.100 0.010 0.000 1.234 587 Y CB 0.683 38.704 38.460 -0.732 0.000 1.219 587 Y HN 0.121 nan 8.280 nan 0.000 0.497 588 N N 2.906 121.163 118.700 -0.739 0.000 2.336 588 N HA -0.114 4.625 4.740 -0.001 0.000 0.189 588 N C -0.153 175.088 175.510 -0.448 0.000 1.113 588 N CA 0.180 52.784 53.050 -0.744 0.000 0.858 588 N CB -0.549 37.304 38.487 -1.058 0.000 0.970 588 N HN 0.843 nan 8.380 nan 0.000 0.471 589 W N 2.029 122.889 121.300 -0.733 0.000 6.554 589 W HA -0.252 4.407 4.660 -0.001 0.000 0.398 589 W C -0.207 176.077 176.519 -0.392 0.000 1.492 589 W CA 0.702 57.913 57.345 -0.223 0.000 1.078 589 W CB -2.441 27.207 29.460 0.313 0.000 2.653 589 W HN 0.149 nan 8.180 nan 0.000 1.591 590 K N -1.171 118.987 120.400 -0.403 0.000 3.393 590 K HA -0.184 4.135 4.320 -0.001 0.000 0.272 590 K C 0.190 176.573 176.600 -0.361 0.000 1.004 590 K CA 1.210 57.294 56.287 -0.339 0.000 0.764 590 K CB -1.430 30.858 32.500 -0.354 0.000 1.373 590 K HN 0.419 nan 8.250 nan 0.000 0.458 591 T N -1.629 112.729 114.554 -0.326 0.000 2.640 591 T HA 0.156 4.505 4.350 -0.001 0.000 0.279 591 T C -1.455 173.020 174.700 -0.374 0.000 1.995 591 T CA -0.879 60.986 62.100 -0.391 0.000 0.943 591 T CB 0.165 68.805 68.868 -0.379 0.000 2.141 591 T HN 0.150 nan 8.240 nan 0.000 0.444 592 Y N 2.956 122.932 120.300 -0.539 0.000 2.969 592 Y HA 0.066 4.615 4.550 -0.001 0.000 0.339 592 Y C 1.634 177.361 175.900 -0.287 0.000 1.272 592 Y CA 0.685 58.405 58.100 -0.634 0.000 1.577 592 Y CB -0.081 37.907 38.460 -0.787 0.000 1.234 592 Y HN 0.380 nan 8.280 nan 0.000 0.590 593 H N 6.677 125.816 119.070 0.114 0.000 3.070 593 H HA -0.049 4.507 4.556 -0.001 0.000 0.313 593 H C -1.322 174.079 175.328 0.122 0.000 0.997 593 H CA -0.795 55.381 56.048 0.215 0.000 1.438 593 H CB 0.779 30.820 29.762 0.464 0.000 1.455 593 H HN 0.517 nan 8.280 nan 0.000 0.575 594 P HA -0.178 nan 4.420 nan 0.000 0.220 594 P C 0.795 178.205 177.300 0.184 0.000 1.144 594 P CA 1.248 64.498 63.100 0.249 0.000 0.800 594 P CB 0.383 32.343 31.700 0.434 0.000 0.772 595 Q N -0.488 119.366 119.800 0.091 0.000 2.369 595 Q HA 0.030 4.369 4.340 -0.001 0.000 0.206 595 Q C 1.024 177.064 176.000 0.067 0.000 0.963 595 Q CA 0.073 55.813 55.803 -0.105 0.000 0.894 595 Q CB -0.789 27.779 28.738 -0.283 0.000 0.965 595 Q HN 0.113 nan 8.270 nan 0.000 0.475 596 V N 1.648 121.557 119.914 -0.007 0.000 2.557 596 V HA -0.062 4.057 4.120 -0.001 0.000 0.301 596 V C -0.118 175.862 176.094 -0.190 0.000 1.026 596 V CA 0.098 62.300 62.300 -0.162 0.000 1.137 596 V CB 0.084 31.528 31.823 -0.631 0.000 0.917 596 V HN 0.278 nan 8.190 nan 0.000 0.484 597 L N 8.306 129.482 121.223 -0.079 0.000 2.515 597 L HA 0.228 4.567 4.340 -0.001 0.000 0.281 597 L C 0.098 176.867 176.870 -0.169 0.000 1.131 597 L CA 0.008 54.785 54.840 -0.106 0.000 0.905 597 L CB 0.587 42.625 42.059 -0.034 0.000 1.246 597 L HN 0.720 nan 8.230 nan 0.000 0.463 598 V N 0.272 120.046 119.914 -0.232 0.000 2.612 598 V HA 0.508 4.627 4.120 -0.001 0.000 0.301 598 V C 0.520 176.537 176.094 -0.128 0.000 1.046 598 V CA -0.598 61.561 62.300 -0.235 0.000 0.946 598 V CB 1.567 33.178 31.823 -0.353 0.000 1.003 598 V HN 0.546 nan 8.190 nan 0.000 0.459 599 T N 3.223 117.721 114.554 -0.093 0.000 2.919 599 T HA 0.108 4.457 4.350 -0.001 0.000 0.302 599 T C 0.020 174.714 174.700 -0.010 0.000 1.031 599 T CA 0.180 62.257 62.100 -0.039 0.000 1.127 599 T CB 0.326 69.172 68.868 -0.037 0.000 0.952 599 T HN 0.946 nan 8.240 nan 0.000 0.540 600 D N 1.582 122.004 120.400 0.037 0.000 2.443 600 D HA 0.065 4.704 4.640 -0.001 0.000 0.239 600 D C 0.503 176.812 176.300 0.015 0.000 1.136 600 D CA 0.207 54.239 54.000 0.053 0.000 0.879 600 D CB 0.687 41.589 40.800 0.171 0.000 1.195 600 D HN 0.495 nan 8.370 nan 0.000 0.443 601 M N 2.623 122.196 119.600 -0.045 0.000 2.313 601 M HA 0.114 4.593 4.480 -0.001 0.000 0.273 601 M C 1.457 177.654 176.300 -0.172 0.000 1.049 601 M CA -0.025 55.231 55.300 -0.073 0.000 1.004 601 M CB 0.775 33.331 32.600 -0.074 0.000 1.461 601 M HN 0.217 nan 8.290 nan 0.000 0.514 602 R N -1.069 119.271 120.500 -0.266 0.000 2.191 602 R HA 0.163 4.503 4.340 -0.001 0.000 0.196 602 R C -0.461 175.385 176.300 -0.757 0.000 0.991 602 R CA 0.572 56.338 56.100 -0.558 0.000 1.075 602 R CB 0.643 30.495 30.300 -0.747 0.000 1.040 602 R HN 0.114 nan 8.270 nan 0.000 0.526 603 Y N 2.337 122.563 120.300 -0.123 0.000 2.326 603 Y HA 0.210 4.759 4.550 -0.001 0.000 0.331 603 Y C -0.020 175.868 175.900 -0.020 0.000 0.962 603 Y CA -1.667 56.352 58.100 -0.135 0.000 1.167 603 Y CB 1.042 39.265 38.460 -0.396 0.000 1.148 603 Y HN 0.050 nan 8.280 nan 0.000 0.463 604 E N 1.452 121.723 120.200 0.117 0.000 2.371 604 E HA 0.197 4.547 4.350 -0.001 0.000 0.257 604 E C -0.504 176.183 176.600 0.146 0.000 1.134 604 E CA -0.634 55.831 56.400 0.107 0.000 0.919 604 E CB 0.368 30.109 29.700 0.068 0.000 1.025 604 E HN 0.755 nan 8.360 nan 0.000 0.438 605 N N 0.410 119.176 118.700 0.109 0.000 2.698 605 N HA -0.293 4.446 4.740 -0.001 0.000 0.258 605 N C -0.219 175.370 175.510 0.131 0.000 0.978 605 N CA 0.718 53.823 53.050 0.091 0.000 0.777 605 N CB -0.889 37.639 38.487 0.068 0.000 0.907 605 N HN 0.625 nan 8.380 nan 0.000 0.543 606 H N -0.754 118.341 119.070 0.042 0.000 2.927 606 H HA 0.365 4.920 4.556 -0.001 0.000 0.255 606 H C 1.050 176.390 175.328 0.020 0.000 0.974 606 H CA 1.380 57.451 56.048 0.038 0.000 1.199 606 H CB 0.925 30.740 29.762 0.089 0.000 1.447 606 H HN 0.456 nan 8.280 nan 0.000 0.467 607 G N -0.063 108.744 108.800 0.011 0.000 2.315 607 G HA2 0.019 3.979 3.960 -0.001 0.000 0.296 607 G HA3 0.019 3.979 3.960 -0.001 0.000 0.296 607 G C -1.460 173.450 174.900 0.017 0.000 1.289 607 G CA -0.842 44.233 45.100 -0.042 0.000 0.996 607 G HN 0.263 nan 8.290 nan 0.000 0.487 608 R N 0.297 120.795 120.500 -0.003 0.000 2.589 608 R HA 0.653 4.992 4.340 -0.001 0.000 0.293 608 R C -0.669 175.633 176.300 0.003 0.000 0.963 608 R CA -0.808 55.287 56.100 -0.008 0.000 0.905 608 R CB 1.910 32.191 30.300 -0.033 0.000 1.144 608 R HN 0.491 nan 8.270 nan 0.000 0.459 609 E N 2.154 122.341 120.200 -0.023 0.000 2.320 609 E HA 0.404 4.753 4.350 -0.001 0.000 0.264 609 E C -2.535 173.964 176.600 -0.169 0.000 0.923 609 E CA -2.387 53.975 56.400 -0.063 0.000 0.796 609 E CB 1.684 31.377 29.700 -0.012 0.000 1.262 609 E HN 0.257 nan 8.360 nan 0.000 0.428 610 P HA 0.117 nan 4.420 nan 0.000 0.274 610 P C 0.658 177.826 177.300 -0.220 0.000 1.231 610 P CA -0.272 62.685 63.100 -0.238 0.000 0.790 610 P CB 0.497 32.064 31.700 -0.222 0.000 0.951 611 M N 3.617 123.090 119.600 -0.213 0.000 2.358 611 M HA -0.110 4.370 4.480 -0.001 0.000 0.264 611 M C 1.565 177.779 176.300 -0.144 0.000 1.064 611 M CA 1.480 56.648 55.300 -0.220 0.000 1.093 611 M CB -1.286 31.123 32.600 -0.319 0.000 1.401 611 M HN 0.122 nan 8.290 nan 0.000 0.440 612 V N 0.069 119.934 119.914 -0.081 0.000 2.688 612 V HA -0.239 3.880 4.120 -0.001 0.000 0.256 612 V C 2.109 178.109 176.094 -0.156 0.000 1.084 612 V CA 2.397 64.677 62.300 -0.032 0.000 1.103 612 V CB -0.927 30.948 31.823 0.086 0.000 0.688 612 V HN 0.820 nan 8.190 nan 0.000 0.480 613 T N -1.701 112.679 114.554 -0.290 0.000 3.081 613 T HA -0.033 4.316 4.350 -0.001 0.000 0.255 613 T C 1.140 175.744 174.700 -0.160 0.000 1.113 613 T CA 0.877 62.788 62.100 -0.315 0.000 1.082 613 T CB -0.052 68.620 68.868 -0.327 0.000 0.939 613 T HN 0.772 nan 8.240 nan 0.000 0.506 614 Q N -0.279 119.425 119.800 -0.161 0.000 2.038 614 Q HA 0.353 4.692 4.340 -0.001 0.000 0.240 614 Q C 1.532 177.426 176.000 -0.177 0.000 0.831 614 Q CA -0.623 55.072 55.803 -0.179 0.000 1.068 614 Q CB 0.014 28.648 28.738 -0.174 0.000 1.241 614 Q HN 0.338 nan 8.270 nan 0.000 0.435 615 R N 1.630 122.035 120.500 -0.159 0.000 2.096 615 R HA -0.133 4.206 4.340 -0.001 0.000 0.240 615 R C 0.640 176.832 176.300 -0.180 0.000 1.139 615 R CA 2.156 58.153 56.100 -0.172 0.000 0.952 615 R CB -0.017 30.148 30.300 -0.225 0.000 0.854 615 R HN 0.236 nan 8.270 nan 0.000 0.436 616 N N 0.510 119.081 118.700 -0.215 0.000 2.626 616 N HA -0.098 4.641 4.740 -0.001 0.000 0.193 616 N C 1.167 176.513 175.510 -0.274 0.000 1.213 616 N CA 0.623 53.541 53.050 -0.221 0.000 0.914 616 N CB 0.039 38.397 38.487 -0.216 0.000 0.994 616 N HN 0.446 nan 8.380 nan 0.000 0.447 617 I N -0.891 119.523 120.570 -0.259 0.000 4.035 617 I HA -0.059 4.110 4.170 -0.001 0.000 0.321 617 I C 2.133 178.195 176.117 -0.091 0.000 1.289 617 I CA 0.066 61.213 61.300 -0.256 0.000 1.236 617 I CB 0.053 37.834 38.000 -0.365 0.000 1.076 617 I HN 0.124 nan 8.210 nan 0.000 0.418 618 H N 1.873 120.861 119.070 -0.137 0.000 2.289 618 H HA -0.223 4.332 4.556 -0.001 0.000 0.294 618 H C 1.938 177.167 175.328 -0.164 0.000 1.095 618 H CA 2.288 58.272 56.048 -0.106 0.000 1.256 618 H CB 0.095 29.840 29.762 -0.028 0.000 1.359 618 H HN 0.431 nan 8.280 nan 0.000 0.487 619 A N 0.203 123.090 122.820 0.111 0.000 1.930 619 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 619 A C 2.478 180.048 177.584 -0.023 0.000 1.175 619 A CA 1.289 53.355 52.037 0.047 0.000 0.627 619 A CB -1.291 17.780 19.000 0.118 0.000 0.815 619 A HN 0.689 nan 8.150 nan 0.000 0.443 620 Y N 1.246 121.495 120.300 -0.085 0.000 2.145 620 Y HA -0.235 4.314 4.550 -0.001 0.000 0.286 620 Y C 2.581 178.347 175.900 -0.224 0.000 1.145 620 Y CA 2.448 60.552 58.100 0.008 0.000 1.148 620 Y CB -0.478 38.036 38.460 0.090 0.000 0.981 620 Y HN 0.314 nan 8.280 nan 0.000 0.507 621 T N 1.636 116.163 114.554 -0.045 0.000 2.746 621 T HA -0.205 4.144 4.350 -0.001 0.000 0.267 621 T C 1.741 175.889 174.700 -0.920 0.000 1.039 621 T CA 1.424 63.293 62.100 -0.384 0.000 1.142 621 T CB -0.654 67.949 68.868 -0.443 0.000 0.866 621 T HN 0.392 nan 8.240 nan 0.000 0.444 622 L N 1.011 121.529 121.223 -1.175 0.000 2.042 622 L HA -0.054 4.286 4.340 -0.001 0.000 0.210 622 L C 2.418 178.912 176.870 -0.627 0.000 1.076 622 L CA 1.514 55.574 54.840 -1.300 0.000 0.749 622 L CB -1.164 40.426 42.059 -0.782 0.000 0.893 622 L HN 0.266 nan 8.230 nan 0.000 0.432 623 C N 0.021 119.043 119.300 -0.462 0.000 2.429 623 C HA -0.150 4.309 4.460 -0.001 0.000 0.277 623 C C 2.728 177.235 174.990 -0.805 0.000 1.262 623 C CA 1.058 59.842 59.018 -0.390 0.000 1.733 623 C CB -0.889 26.756 27.740 -0.157 0.000 2.010 623 C HN 0.754 nan 8.230 nan 0.000 0.483 624 E N 0.875 120.253 120.200 -1.370 0.000 2.130 624 E HA -0.209 4.140 4.350 -0.001 0.000 0.196 624 E C 1.955 178.175 176.600 -0.633 0.000 0.998 624 E CA 1.864 57.349 56.400 -1.526 0.000 0.806 624 E CB -0.002 29.056 29.700 -1.071 0.000 0.738 624 E HN 0.624 nan 8.360 nan 0.000 0.459 625 S N -0.536 114.923 115.700 -0.401 0.000 2.425 625 S HA -0.052 4.417 4.470 -0.001 0.000 0.225 625 S C 1.957 176.649 174.600 0.153 0.000 1.024 625 S CA 1.077 59.257 58.200 -0.034 0.000 0.951 625 S CB -0.031 63.230 63.200 0.102 0.000 0.796 625 S HN 0.295 nan 8.310 nan 0.000 0.498 626 T N 2.021 116.661 114.554 0.144 0.000 2.867 626 T HA -0.027 4.322 4.350 -0.001 0.000 0.268 626 T C 1.906 176.510 174.700 -0.161 0.000 1.057 626 T CA 1.179 63.288 62.100 0.014 0.000 1.136 626 T CB -0.120 68.772 68.868 0.041 0.000 0.874 626 T HN 0.187 nan 8.240 nan 0.000 0.466 627 R N 1.833 122.226 120.500 -0.177 0.000 2.070 627 R HA 0.089 4.428 4.340 -0.001 0.000 0.227 627 R C 2.339 178.582 176.300 -0.095 0.000 1.147 627 R CA 1.680 57.694 56.100 -0.144 0.000 0.924 627 R CB -0.505 29.720 30.300 -0.126 0.000 0.827 627 R HN 0.174 nan 8.270 nan 0.000 0.431 628 K N -0.369 119.974 120.400 -0.094 0.000 2.057 628 K HA -0.115 4.204 4.320 -0.001 0.000 0.206 628 K C 1.180 177.770 176.600 -0.015 0.000 1.050 628 K CA 1.822 58.083 56.287 -0.044 0.000 0.935 628 K CB 0.138 32.614 32.500 -0.038 0.000 0.715 628 K HN 0.145 nan 8.250 nan 0.000 0.439 629 E N -1.503 118.700 120.200 0.006 0.000 2.460 629 E HA 0.083 4.432 4.350 -0.001 0.000 0.200 629 E C 1.131 177.745 176.600 0.023 0.000 1.011 629 E CA 0.303 56.727 56.400 0.039 0.000 0.912 629 E CB 0.969 30.732 29.700 0.105 0.000 0.953 629 E HN 0.409 nan 8.360 nan 0.000 0.494 630 G N 0.373 109.160 108.800 -0.021 0.000 2.726 630 G HA2 0.011 3.971 3.960 -0.001 0.000 0.221 630 G HA3 0.011 3.971 3.960 -0.001 0.000 0.221 630 G C 1.432 176.371 174.900 0.064 0.000 1.327 630 G CA -0.061 45.011 45.100 -0.047 0.000 0.884 630 G HN 0.073 nan 8.290 nan 0.000 0.581 631 I N 0.599 121.144 120.570 -0.041 0.000 2.202 631 I HA -0.110 4.059 4.170 -0.001 0.000 0.242 631 I C 2.736 178.791 176.117 -0.104 0.000 1.091 631 I CA 0.617 61.862 61.300 -0.091 0.000 1.368 631 I CB -0.248 37.687 38.000 -0.108 0.000 1.058 631 I HN 0.016 nan 8.210 nan 0.000 0.410 632 V N 0.398 120.273 119.914 -0.065 0.000 2.346 632 V HA -0.185 3.934 4.120 -0.001 0.000 0.244 632 V C 2.338 178.410 176.094 -0.037 0.000 1.037 632 V CA 1.605 63.873 62.300 -0.053 0.000 1.029 632 V CB -0.535 31.264 31.823 -0.040 0.000 0.663 632 V HN 0.358 nan 8.190 nan 0.000 0.454 633 E N 0.342 120.532 120.200 -0.017 0.000 2.150 633 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 633 E C 1.018 177.621 176.600 0.004 0.000 0.985 633 E CA 0.867 57.267 56.400 -0.001 0.000 0.814 633 E CB -0.002 29.706 29.700 0.013 0.000 0.752 633 E HN 0.521 nan 8.360 nan 0.000 0.466 634 N N -0.456 118.251 118.700 0.011 0.000 2.275 634 N HA 0.135 4.874 4.740 -0.001 0.000 0.236 634 N C 0.664 176.143 175.510 -0.051 0.000 1.154 634 N CA 0.141 53.212 53.050 0.035 0.000 0.866 634 N CB 1.079 39.663 38.487 0.161 0.000 1.093 634 N HN 0.032 nan 8.380 nan 0.000 0.515 635 A N 0.658 123.422 122.820 -0.093 0.000 2.024 635 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 635 A C 1.671 179.192 177.584 -0.105 0.000 1.164 635 A CA 1.285 53.233 52.037 -0.149 0.000 0.643 635 A CB -0.094 18.845 19.000 -0.101 0.000 0.806 635 A HN 0.069 nan 8.150 nan 0.000 0.451 636 D N -0.417 119.954 120.400 -0.049 0.000 2.221 636 D HA -0.128 4.511 4.640 -0.001 0.000 0.204 636 D C 2.152 178.447 176.300 -0.008 0.000 0.982 636 D CA 1.980 55.968 54.000 -0.021 0.000 0.857 636 D CB -0.377 40.422 40.800 -0.001 0.000 0.934 636 D HN 0.675 nan 8.370 nan 0.000 0.475 637 T N -2.114 112.440 114.554 0.001 0.000 3.057 637 T HA 0.111 4.460 4.350 -0.001 0.000 0.254 637 T C 1.258 175.984 174.700 0.043 0.000 1.094 637 T CA -0.258 61.878 62.100 0.060 0.000 1.088 637 T CB -0.058 68.900 68.868 0.151 0.000 0.934 637 T HN -0.023 nan 8.240 nan 0.000 0.497 638 L N 2.538 123.687 121.223 -0.123 0.000 2.492 638 L HA 0.169 4.509 4.340 -0.001 0.000 0.280 638 L C 2.092 178.962 176.870 -0.001 0.000 1.240 638 L CA 0.339 55.093 54.840 -0.144 0.000 0.831 638 L CB 0.618 42.514 42.059 -0.273 0.000 1.100 638 L HN 0.441 nan 8.230 nan 0.000 0.505 639 T N -1.750 112.843 114.554 0.065 0.000 3.587 639 T HA 0.004 4.353 4.350 -0.001 0.000 0.221 639 T C 1.509 176.167 174.700 -0.069 0.000 0.921 639 T CA -0.043 62.086 62.100 0.049 0.000 1.426 639 T CB -0.143 68.814 68.868 0.149 0.000 1.340 639 T HN 0.473 nan 8.240 nan 0.000 0.423 640 K N -0.041 120.264 120.400 -0.157 0.000 2.228 640 K HA 0.201 4.520 4.320 -0.001 0.000 0.202 640 K C -0.654 175.554 176.600 -0.653 0.000 1.051 640 K CA 0.530 56.534 56.287 -0.472 0.000 0.960 640 K CB 0.023 32.058 32.500 -0.774 0.000 0.743 640 K HN 0.381 nan 8.250 nan 0.000 0.458 641 F N -0.622 119.319 119.950 -0.014 0.000 2.556 641 F HA 0.388 4.914 4.527 -0.001 0.000 0.314 641 F C 0.926 176.716 175.800 -0.016 0.000 1.106 641 F CA -1.027 56.985 58.000 0.020 0.000 0.911 641 F CB 1.732 40.806 39.000 0.123 0.000 1.190 641 F HN -0.289 nan 8.300 nan 0.000 0.448 642 R N 1.031 121.607 120.500 0.127 0.000 2.112 642 R HA 0.166 4.505 4.340 -0.001 0.000 0.216 642 R C 1.022 177.325 176.300 0.005 0.000 1.080 642 R CA 0.231 56.344 56.100 0.022 0.000 0.996 642 R CB 0.237 30.536 30.300 -0.002 0.000 0.902 642 R HN 0.641 nan 8.270 nan 0.000 0.449 643 R N 0.483 121.011 120.500 0.046 0.000 2.641 643 R HA 0.100 4.439 4.340 -0.001 0.000 0.269 643 R C -0.908 175.380 176.300 -0.020 0.000 1.074 643 R CA 0.308 56.402 56.100 -0.010 0.000 1.133 643 R CB 1.097 31.380 30.300 -0.029 0.000 1.029 643 R HN 0.066 nan 8.270 nan 0.000 0.488 644 S N 0.800 116.475 115.700 -0.042 0.000 2.752 644 S HA 0.549 5.018 4.470 -0.001 0.000 0.284 644 S C -2.104 172.539 174.600 0.072 0.000 1.189 644 S CA -0.604 57.605 58.200 0.014 0.000 0.835 644 S CB 1.041 64.250 63.200 0.015 0.000 1.192 644 S HN 0.543 nan 8.310 nan 0.000 0.506 645 Y N -0.191 120.095 120.300 -0.024 0.000 2.705 645 Y HA 0.708 5.257 4.550 -0.001 0.000 0.332 645 Y C -1.638 174.286 175.900 0.040 0.000 1.221 645 Y CA -0.823 57.245 58.100 -0.053 0.000 1.059 645 Y CB 1.207 39.567 38.460 -0.166 0.000 1.298 645 Y HN 0.677 nan 8.280 nan 0.000 0.459 646 I N 4.007 124.349 120.570 -0.380 0.000 2.545 646 I HA 0.383 4.552 4.170 -0.001 0.000 0.292 646 I C -1.334 174.639 176.117 -0.240 0.000 1.040 646 I CA -0.898 60.270 61.300 -0.220 0.000 1.068 646 I CB 1.903 39.770 38.000 -0.222 0.000 1.251 646 I HN 0.292 nan 8.210 nan 0.000 0.424 647 I N 4.395 124.857 120.570 -0.179 0.000 2.354 647 I HA 0.330 4.499 4.170 -0.001 0.000 0.286 647 I C 0.145 176.306 176.117 0.074 0.000 1.007 647 I CA -0.070 61.076 61.300 -0.256 0.000 1.167 647 I CB 1.176 38.715 38.000 -0.768 0.000 1.320 647 I HN 0.471 nan 8.210 nan 0.000 0.458 648 S N 5.805 121.555 115.700 0.084 0.000 2.621 648 S HA 0.524 4.994 4.470 -0.001 0.000 0.302 648 S C 0.920 175.491 174.600 -0.049 0.000 1.093 648 S CA -0.519 57.757 58.200 0.126 0.000 1.017 648 S CB 2.033 65.252 63.200 0.032 0.000 1.077 648 S HN 0.703 nan 8.310 nan 0.000 0.517 649 R N 1.505 121.852 120.500 -0.255 0.000 2.206 649 R HA 0.276 4.615 4.340 -0.001 0.000 0.198 649 R C 0.855 176.970 176.300 -0.308 0.000 0.986 649 R CA 0.591 56.222 56.100 -0.783 0.000 1.029 649 R CB 0.018 29.643 30.300 -1.126 0.000 0.966 649 R HN 0.694 nan 8.270 nan 0.000 0.487 650 G N -1.231 107.547 108.800 -0.037 0.000 2.816 650 G HA2 0.619 4.579 3.960 -0.001 0.000 0.288 650 G HA3 0.619 4.579 3.960 -0.001 0.000 0.288 650 G C -0.862 174.178 174.900 0.234 0.000 1.334 650 G CA -0.197 44.992 45.100 0.147 0.000 0.978 650 G HN 0.362 nan 8.290 nan 0.000 0.493 651 G N -1.939 107.005 108.800 0.240 0.000 2.352 651 G HA2 0.501 4.461 3.960 -0.001 0.000 0.283 651 G HA3 0.501 4.461 3.960 -0.001 0.000 0.283 651 G C -2.292 172.481 174.900 -0.213 0.000 1.308 651 G CA -0.297 44.925 45.100 0.203 0.000 0.892 651 G HN 1.549 nan 8.290 nan 0.000 0.504 652 Y N 0.019 120.147 120.300 -0.287 0.000 2.513 652 Y HA 0.615 5.164 4.550 -0.001 0.000 0.340 652 Y C 0.252 176.047 175.900 -0.173 0.000 1.055 652 Y CA -1.412 56.399 58.100 -0.482 0.000 1.020 652 Y CB 1.199 39.546 38.460 -0.188 0.000 1.301 652 Y HN 0.734 nan 8.280 nan 0.000 0.453 653 I N 4.915 125.045 120.570 -0.734 0.000 3.383 653 I HA -0.120 4.049 4.170 -0.001 0.000 0.345 653 I C 1.372 177.316 176.117 -0.288 0.000 1.097 653 I CA 2.472 63.432 61.300 -0.566 0.000 1.828 653 I CB -0.818 36.558 38.000 -1.040 0.000 1.148 653 I HN 1.021 nan 8.210 nan 0.000 0.428 654 G N 4.871 113.545 108.800 -0.209 0.000 2.213 654 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.236 654 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.236 654 G C 1.124 175.892 174.900 -0.220 0.000 0.991 654 G CA 0.311 45.350 45.100 -0.101 0.000 0.629 654 G HN 0.628 nan 8.290 nan 0.000 0.517 655 N N 1.146 119.751 118.700 -0.158 0.000 2.443 655 N HA -0.108 4.631 4.740 -0.001 0.000 0.184 655 N C 2.380 177.489 175.510 -0.668 0.000 1.037 655 N CA 1.515 54.314 53.050 -0.419 0.000 0.896 655 N CB -0.062 38.502 38.487 0.129 0.000 0.959 655 N HN 0.804 nan 8.380 nan 0.000 0.442 656 Q N -0.421 119.072 119.800 -0.512 0.000 2.439 656 Q HA -0.151 4.188 4.340 -0.001 0.000 0.211 656 Q C 0.315 175.910 176.000 -0.674 0.000 0.978 656 Q CA 1.340 56.826 55.803 -0.528 0.000 0.897 656 Q CB -0.810 27.627 28.738 -0.502 0.000 0.956 656 Q HN 0.535 nan 8.270 nan 0.000 0.483 657 H N -0.961 117.633 119.070 -0.794 0.000 2.539 657 H HA 0.133 4.688 4.556 -0.001 0.000 0.267 657 H C 0.148 175.159 175.328 -0.528 0.000 0.982 657 H CA 0.491 56.147 56.048 -0.653 0.000 1.146 657 H CB 0.171 29.583 29.762 -0.584 0.000 1.382 657 H HN 0.235 nan 8.280 nan 0.000 0.577 658 F N -1.303 118.495 119.950 -0.253 0.000 2.727 658 F HA 0.488 5.014 4.527 -0.001 0.000 0.302 658 F C 1.452 176.956 175.800 -0.493 0.000 1.107 658 F CA 0.373 58.182 58.000 -0.318 0.000 1.277 658 F CB 0.454 39.265 39.000 -0.315 0.000 1.079 658 F HN 0.176 nan 8.300 nan 0.000 0.594 659 G N -0.451 108.027 108.800 -0.536 0.000 2.278 659 G HA2 0.373 4.333 3.960 -0.001 0.000 0.265 659 G HA3 0.373 4.333 3.960 -0.001 0.000 0.265 659 G C -0.370 174.182 174.900 -0.580 0.000 1.329 659 G CA -0.435 43.962 45.100 -1.172 0.000 1.017 659 G HN 0.465 nan 8.290 nan 0.000 0.472 660 G N -1.524 107.038 108.800 -0.397 0.000 3.212 660 G HA2 0.779 4.738 3.960 -0.001 0.000 0.188 660 G HA3 0.779 4.738 3.960 -0.001 0.000 0.188 660 G C -0.571 174.235 174.900 -0.157 0.000 1.254 660 G CA -0.504 44.527 45.100 -0.116 0.000 0.957 660 G HN 0.803 nan 8.290 nan 0.000 0.596 661 M N -0.364 119.152 119.600 -0.141 0.000 2.470 661 M HA 0.353 4.832 4.480 -0.001 0.000 0.285 661 M C -1.942 174.371 176.300 0.023 0.000 1.213 661 M CA -0.351 54.880 55.300 -0.116 0.000 0.901 661 M CB 2.126 34.597 32.600 -0.216 0.000 1.718 661 M HN 0.850 nan 8.290 nan 0.000 0.469 662 W N 1.555 122.789 121.300 -0.109 0.000 2.761 662 W HA 0.728 5.388 4.660 -0.001 0.000 0.340 662 W C -1.104 175.428 176.519 0.021 0.000 1.072 662 W CA -1.022 56.363 57.345 0.067 0.000 1.215 662 W CB 0.697 30.270 29.460 0.187 0.000 1.420 662 W HN 0.293 nan 8.180 nan 0.000 0.519 663 V N 6.765 126.651 119.914 -0.046 0.000 2.248 663 V HA 0.252 4.371 4.120 -0.001 0.000 0.309 663 V C 1.461 177.372 176.094 -0.306 0.000 1.722 663 V CA 0.783 62.983 62.300 -0.167 0.000 1.693 663 V CB -1.457 30.434 31.823 0.115 0.000 1.470 663 V HN 1.205 nan 8.190 nan 0.000 0.518 664 G N 2.319 110.322 108.800 -1.329 0.000 2.632 664 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.322 664 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.322 664 G C 0.116 175.090 174.900 0.123 0.000 1.326 664 G CA 0.579 45.055 45.100 -1.039 0.000 0.986 664 G HN 0.565 nan 8.290 nan 0.000 0.541 665 D N 2.534 123.095 120.400 0.268 0.000 2.639 665 D HA 0.258 4.898 4.640 -0.001 0.000 0.233 665 D C 1.160 177.545 176.300 0.141 0.000 1.161 665 D CA -0.067 54.105 54.000 0.286 0.000 1.003 665 D CB -0.407 40.564 40.800 0.286 0.000 1.034 665 D HN 0.529 nan 8.370 nan 0.000 0.514 666 N N -0.236 118.562 118.700 0.162 0.000 2.262 666 N HA 0.079 4.818 4.740 -0.001 0.000 0.260 666 N C 0.129 175.431 175.510 -0.345 0.000 1.305 666 N CA -0.307 52.644 53.050 -0.165 0.000 0.913 666 N CB 0.473 39.156 38.487 0.326 0.000 1.116 666 N HN 0.040 nan 8.380 nan 0.000 0.512 667 S N -3.521 111.633 115.700 -0.910 0.000 2.794 667 S HA 0.551 5.021 4.470 -0.001 0.000 0.299 667 S C -1.169 173.232 174.600 -0.331 0.000 1.179 667 S CA -0.741 57.055 58.200 -0.674 0.000 0.838 667 S CB 0.567 63.239 63.200 -0.879 0.000 1.206 667 S HN 0.575 nan 8.310 nan 0.000 0.523 668 T N 1.985 116.437 114.554 -0.170 0.000 3.383 668 T HA 0.482 4.832 4.350 -0.001 0.000 0.324 668 T C -0.352 174.281 174.700 -0.111 0.000 1.822 668 T CA -0.338 61.689 62.100 -0.121 0.000 1.424 668 T CB -0.530 68.070 68.868 -0.447 0.000 1.093 668 T HN 0.692 nan 8.240 nan 0.000 0.748 669 T N -2.481 112.172 114.554 0.166 0.000 2.883 669 T HA 0.420 4.769 4.350 -0.001 0.000 0.301 669 T C 1.304 176.077 174.700 0.122 0.000 1.158 669 T CA -0.669 61.543 62.100 0.186 0.000 1.007 669 T CB 1.634 70.698 68.868 0.326 0.000 1.186 669 T HN -0.069 nan 8.240 nan 0.000 0.499 670 S N 1.764 117.492 115.700 0.046 0.000 2.380 670 S HA -0.228 4.242 4.470 -0.001 0.000 0.229 670 S C 1.843 176.293 174.600 -0.250 0.000 1.043 670 S CA 2.228 60.346 58.200 -0.137 0.000 1.038 670 S CB -0.922 62.222 63.200 -0.094 0.000 0.872 670 S HN 0.842 nan 8.310 nan 0.000 0.456 671 N N 0.207 118.833 118.700 -0.124 0.000 2.061 671 N HA -0.165 4.574 4.740 -0.001 0.000 0.193 671 N C 1.505 176.811 175.510 -0.339 0.000 1.030 671 N CA 1.723 54.650 53.050 -0.205 0.000 0.856 671 N CB -0.349 38.053 38.487 -0.142 0.000 1.023 671 N HN 0.435 nan 8.380 nan 0.000 0.424 672 Y N 0.955 121.172 120.300 -0.137 0.000 2.421 672 Y HA -0.031 4.518 4.550 -0.001 0.000 0.292 672 Y C 2.007 177.841 175.900 -0.109 0.000 1.136 672 Y CA 0.518 58.592 58.100 -0.044 0.000 1.255 672 Y CB -0.102 38.428 38.460 0.117 0.000 0.991 672 Y HN 0.144 nan 8.280 nan 0.000 0.552 673 I N -0.376 120.050 120.570 -0.240 0.000 2.193 673 I HA -0.327 3.842 4.170 -0.001 0.000 0.240 673 I C 2.158 178.161 176.117 -0.191 0.000 1.084 673 I CA 1.340 62.383 61.300 -0.428 0.000 1.365 673 I CB -0.394 37.262 38.000 -0.573 0.000 1.064 673 I HN 0.252 nan 8.210 nan 0.000 0.410 674 Q N 0.202 119.875 119.800 -0.211 0.000 2.045 674 Q HA -0.286 4.053 4.340 -0.001 0.000 0.206 674 Q C 2.299 178.271 176.000 -0.046 0.000 0.991 674 Q CA 1.970 57.700 55.803 -0.121 0.000 0.851 674 Q CB -0.242 28.413 28.738 -0.139 0.000 0.911 674 Q HN 0.465 nan 8.270 nan 0.000 0.418 675 M N 0.030 119.565 119.600 -0.109 0.000 2.073 675 M HA -0.247 4.232 4.480 -0.001 0.000 0.258 675 M C 2.442 178.759 176.300 0.029 0.000 1.070 675 M CA 1.635 56.887 55.300 -0.081 0.000 1.103 675 M CB -0.322 32.152 32.600 -0.209 0.000 1.321 675 M HN 0.407 nan 8.290 nan 0.000 0.405 676 M N 0.405 120.063 119.600 0.097 0.000 2.106 676 M HA -0.266 4.213 4.480 -0.001 0.000 0.259 676 M C 1.792 178.137 176.300 0.075 0.000 1.068 676 M CA 1.897 57.291 55.300 0.156 0.000 1.100 676 M CB -0.325 32.428 32.600 0.254 0.000 1.351 676 M HN 0.257 nan 8.290 nan 0.000 0.404 677 I N 0.485 121.076 120.570 0.034 0.000 2.162 677 I HA -0.197 3.972 4.170 -0.001 0.000 0.238 677 I C 2.820 178.922 176.117 -0.025 0.000 1.076 677 I CA 1.107 62.394 61.300 -0.021 0.000 1.353 677 I CB -0.902 37.120 38.000 0.038 0.000 1.063 677 I HN 0.412 nan 8.210 nan 0.000 0.408 678 A N 1.177 124.016 122.820 0.031 0.000 1.903 678 A HA -0.313 4.006 4.320 -0.001 0.000 0.219 678 A C 2.045 179.649 177.584 0.033 0.000 1.191 678 A CA 2.625 54.693 52.037 0.052 0.000 0.638 678 A CB -1.399 17.651 19.000 0.083 0.000 0.823 678 A HN 0.532 nan 8.150 nan 0.000 0.451 679 N N -0.419 118.295 118.700 0.023 0.000 2.036 679 N HA -0.231 4.508 4.740 -0.001 0.000 0.195 679 N C 1.979 177.489 175.510 -0.000 0.000 1.037 679 N CA 1.330 54.386 53.050 0.010 0.000 0.855 679 N CB -0.276 38.212 38.487 0.003 0.000 1.033 679 N HN 0.614 nan 8.380 nan 0.000 0.423 680 N N 1.311 120.003 118.700 -0.014 0.000 2.018 680 N HA -0.180 4.559 4.740 -0.001 0.000 0.196 680 N C 1.818 177.290 175.510 -0.064 0.000 1.043 680 N CA 1.397 54.419 53.050 -0.047 0.000 0.856 680 N CB -0.192 38.232 38.487 -0.106 0.000 1.042 680 N HN 0.185 nan 8.380 nan 0.000 0.423 681 I N 1.354 121.874 120.570 -0.082 0.000 2.194 681 I HA -0.291 3.878 4.170 -0.001 0.000 0.246 681 I C 1.871 178.006 176.117 0.030 0.000 1.093 681 I CA 1.092 62.370 61.300 -0.036 0.000 1.355 681 I CB -0.331 37.676 38.000 0.012 0.000 1.046 681 I HN 0.200 nan 8.210 nan 0.000 0.413 682 N N -0.060 118.671 118.700 0.052 0.000 2.300 682 N HA -0.053 4.686 4.740 -0.001 0.000 0.179 682 N C 1.785 177.348 175.510 0.088 0.000 1.016 682 N CA 1.033 54.143 53.050 0.099 0.000 0.876 682 N CB -0.116 38.432 38.487 0.102 0.000 0.979 682 N HN 0.224 nan 8.380 nan 0.000 0.432 683 M N 0.803 120.417 119.600 0.022 0.000 2.296 683 M HA -0.005 4.474 4.480 -0.001 0.000 0.265 683 M C 1.488 177.760 176.300 -0.047 0.000 1.064 683 M CA 0.715 55.992 55.300 -0.039 0.000 1.109 683 M CB -0.894 31.644 32.600 -0.103 0.000 1.396 683 M HN 0.196 nan 8.290 nan 0.000 0.430 684 N N 0.791 119.478 118.700 -0.022 0.000 2.106 684 N HA -0.115 4.625 4.740 -0.001 0.000 0.188 684 N C 1.623 177.139 175.510 0.010 0.000 1.029 684 N CA 1.573 54.606 53.050 -0.028 0.000 0.848 684 N CB -0.198 38.272 38.487 -0.028 0.000 1.007 684 N HN 0.477 nan 8.380 nan 0.000 0.423 685 M N -0.633 119.014 119.600 0.080 0.000 2.722 685 M HA 0.159 4.638 4.480 -0.001 0.000 0.238 685 M C 0.490 176.946 176.300 0.262 0.000 1.098 685 M CA 1.024 56.426 55.300 0.171 0.000 1.062 685 M CB 0.315 33.036 32.600 0.203 0.000 1.573 685 M HN -0.215 nan 8.290 nan 0.000 0.531 686 S N -0.385 115.384 115.700 0.115 0.000 2.602 686 S HA 0.226 4.695 4.470 -0.001 0.000 0.240 686 S C 0.353 174.850 174.600 -0.172 0.000 0.992 686 S CA -0.292 57.908 58.200 0.000 0.000 0.971 686 S CB -0.245 63.038 63.200 0.139 0.000 0.855 686 S HN 0.743 nan 8.310 nan 0.000 0.481 687 C N 1.533 120.733 119.300 -0.166 0.000 4.497 687 C HA -0.113 4.346 4.460 -0.001 0.000 0.292 687 C C -0.084 174.751 174.990 -0.258 0.000 1.366 687 C CA -0.189 58.674 59.018 -0.259 0.000 1.987 687 C CB -2.293 25.177 27.740 -0.451 0.000 1.241 687 C HN 0.551 nan 8.230 nan 0.000 0.788 688 L N 0.979 122.076 121.223 -0.209 0.000 2.417 688 L HA 0.338 4.677 4.340 -0.001 0.000 0.259 688 L C -1.593 175.180 176.870 -0.161 0.000 1.023 688 L CA -1.108 53.590 54.840 -0.236 0.000 0.901 688 L CB 1.699 43.541 42.059 -0.362 0.000 1.227 688 L HN -0.049 nan 8.230 nan 0.000 0.454 689 P HA 0.014 nan 4.420 nan 0.000 0.216 689 P C 0.874 178.167 177.300 -0.011 0.000 1.151 689 P CA 0.375 63.433 63.100 -0.070 0.000 0.863 689 P CB 0.802 32.455 31.700 -0.078 0.000 0.790 690 L N 1.093 122.315 121.223 -0.002 0.000 2.480 690 L HA 0.269 4.608 4.340 -0.001 0.000 0.243 690 L C -0.084 176.822 176.870 0.061 0.000 1.315 690 L CA -0.420 54.459 54.840 0.066 0.000 1.231 690 L CB -0.382 41.688 42.059 0.019 0.000 1.444 690 L HN -0.161 nan 8.230 nan 0.000 0.409 691 V N 1.414 121.377 119.914 0.083 0.000 3.181 691 V HA 1.040 5.159 4.120 -0.001 0.000 0.314 691 V C -0.017 176.237 176.094 0.267 0.000 1.173 691 V CA 0.188 62.555 62.300 0.112 0.000 1.052 691 V CB 2.166 33.986 31.823 -0.006 0.000 1.123 691 V HN 0.507 nan 8.190 nan 0.000 0.454 692 G N 0.831 109.844 108.800 0.355 0.000 0.000 692 G HA2 0.555 4.514 3.960 -0.001 0.000 0.000 692 G HA3 0.555 4.514 3.960 -0.001 0.000 0.000 692 G C -1.482 173.691 174.900 0.455 0.000 0.000 692 G CA -0.050 45.294 45.100 0.407 0.000 0.000 692 G HN 1.061 nan 8.290 nan 0.000 0.000 693 S N -0.144 115.808 115.700 0.420 0.000 2.566 693 S HA 0.593 5.063 4.470 -0.001 0.000 0.298 693 S C -1.167 173.687 174.600 0.424 0.000 1.083 693 S CA -0.831 57.653 58.200 0.473 0.000 0.978 693 S CB 1.769 65.235 63.200 0.444 0.000 1.073 693 S HN 0.567 nan 8.310 nan 0.000 0.491 694 D N 2.011 122.669 120.400 0.430 0.000 2.487 694 D HA 0.076 4.715 4.640 -0.001 0.000 0.243 694 D C 0.070 176.423 176.300 0.088 0.000 1.154 694 D CA 0.231 54.377 54.000 0.243 0.000 0.876 694 D CB 0.177 41.160 40.800 0.305 0.000 1.161 694 D HN 0.214 nan 8.370 nan 0.000 0.478 695 I N 1.609 122.176 120.570 -0.005 0.000 2.556 695 I HA 0.153 4.322 4.170 -0.001 0.000 0.284 695 I C 1.836 177.660 176.117 -0.489 0.000 1.114 695 I CA 0.235 61.449 61.300 -0.144 0.000 1.418 695 I CB 0.023 38.052 38.000 0.049 0.000 1.394 695 I HN 0.717 nan 8.210 nan 0.000 0.552 696 G N 4.400 112.399 108.800 -1.334 0.000 2.225 696 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.254 696 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.254 696 G C 0.672 175.132 174.900 -0.734 0.000 0.988 696 G CA 0.310 44.831 45.100 -0.965 0.000 0.625 696 G HN 1.743 nan 8.290 nan 0.000 0.527 697 G N -1.657 106.777 108.800 -0.610 0.000 2.879 697 G HA2 0.166 4.125 3.960 -0.001 0.000 0.686 697 G HA3 0.166 4.125 3.960 -0.001 0.000 0.686 697 G C 0.172 175.081 174.900 0.015 0.000 1.115 697 G CA 0.185 45.199 45.100 -0.145 0.000 0.770 697 G HN 1.512 nan 8.290 nan 0.000 0.601 698 F N 2.346 122.303 119.950 0.012 0.000 2.074 698 F HA 0.192 4.719 4.527 -0.001 0.000 0.293 698 F C 2.222 178.075 175.800 0.088 0.000 1.116 698 F CA 2.226 60.270 58.000 0.073 0.000 1.212 698 F CB -0.319 38.782 39.000 0.169 0.000 0.998 698 F HN 0.952 nan 8.300 nan 0.000 0.471 699 T N -0.484 114.063 114.554 -0.012 0.000 2.849 699 T HA 0.353 4.702 4.350 -0.001 0.000 0.284 699 T C 0.497 175.192 174.700 -0.008 0.000 1.004 699 T CA -0.575 61.481 62.100 -0.073 0.000 1.021 699 T CB 0.950 69.871 68.868 0.087 0.000 1.013 699 T HN 0.204 nan 8.240 nan 0.000 0.527 700 S N 0.780 116.508 115.700 0.046 0.000 2.572 700 S HA 0.170 4.640 4.470 -0.001 0.000 0.262 700 S C 0.346 175.073 174.600 0.211 0.000 1.375 700 S CA 0.207 58.486 58.200 0.131 0.000 0.996 700 S CB -0.218 63.036 63.200 0.090 0.000 0.892 700 S HN 1.029 nan 8.310 nan 0.000 0.562 701 Y N -1.850 118.449 120.300 -0.002 0.000 2.449 701 Y HA 0.426 4.975 4.550 -0.001 0.000 0.278 701 Y C -0.105 175.816 175.900 0.034 0.000 1.066 701 Y CA -0.654 57.459 58.100 0.021 0.000 1.166 701 Y CB 0.119 38.597 38.460 0.030 0.000 1.346 701 Y HN 0.485 nan 8.280 nan 0.000 0.562 702 D N 2.103 122.097 120.400 -0.676 0.000 2.317 702 D HA 0.106 4.745 4.640 -0.001 0.000 0.252 702 D C 0.290 176.462 176.300 -0.215 0.000 1.174 702 D CA 0.115 53.796 54.000 -0.532 0.000 0.866 702 D CB 0.835 41.248 40.800 -0.646 0.000 1.127 702 D HN 0.296 nan 8.370 nan 0.000 0.467 703 N N 3.194 121.822 118.700 -0.119 0.000 2.396 703 N HA -0.097 4.642 4.740 -0.001 0.000 0.180 703 N C 1.094 176.571 175.510 -0.055 0.000 1.028 703 N CA 0.530 53.547 53.050 -0.055 0.000 0.893 703 N CB 0.343 38.820 38.487 -0.017 0.000 0.967 703 N HN 0.602 nan 8.380 nan 0.000 0.440 704 E N 0.430 120.585 120.200 -0.076 0.000 2.051 704 E HA -0.022 4.328 4.350 -0.001 0.000 0.189 704 E C 0.351 176.905 176.600 -0.077 0.000 0.979 704 E CA 0.706 57.067 56.400 -0.065 0.000 0.803 704 E CB -0.106 29.553 29.700 -0.068 0.000 0.761 704 E HN 0.120 nan 8.360 nan 0.000 0.451 705 N N 0.772 119.404 118.700 -0.114 0.000 2.558 705 N HA -0.002 4.737 4.740 -0.001 0.000 0.285 705 N C 0.488 175.905 175.510 -0.155 0.000 1.112 705 N CA -0.038 52.935 53.050 -0.129 0.000 0.857 705 N CB 1.534 39.935 38.487 -0.145 0.000 1.376 705 N HN 0.051 nan 8.380 nan 0.000 0.526 706 Q N 2.092 121.830 119.800 -0.102 0.000 2.291 706 Q HA -0.043 4.296 4.340 -0.001 0.000 0.206 706 Q C 0.480 176.433 176.000 -0.078 0.000 0.976 706 Q CA 1.081 56.846 55.803 -0.064 0.000 0.875 706 Q CB 0.072 28.837 28.738 0.044 0.000 0.927 706 Q HN 0.426 nan 8.270 nan 0.000 0.450 707 R N 0.699 121.106 120.500 -0.154 0.000 2.276 707 R HA 0.089 4.429 4.340 -0.001 0.000 0.203 707 R C 0.229 176.407 176.300 -0.202 0.000 1.017 707 R CA 0.562 56.542 56.100 -0.200 0.000 1.010 707 R CB -0.018 30.038 30.300 -0.407 0.000 0.900 707 R HN 0.141 nan 8.270 nan 0.000 0.469 708 T N 4.198 118.631 114.554 -0.202 0.000 2.908 708 T HA 0.069 4.418 4.350 -0.001 0.000 0.301 708 T C -2.105 172.547 174.700 -0.080 0.000 1.019 708 T CA -0.628 61.361 62.100 -0.184 0.000 1.152 708 T CB 0.925 69.668 68.868 -0.210 0.000 0.966 708 T HN 0.092 nan 8.240 nan 0.000 0.540 709 P HA 0.286 nan 4.420 nan 0.000 0.283 709 P C 0.024 177.398 177.300 0.122 0.000 1.271 709 P CA -0.978 62.040 63.100 -0.137 0.000 0.841 709 P CB 0.663 31.962 31.700 -0.668 0.000 1.122 710 C N 2.107 121.449 119.300 0.070 0.000 2.502 710 C HA 0.091 4.550 4.460 -0.001 0.000 0.404 710 C C 1.433 176.539 174.990 0.192 0.000 1.409 710 C CA 0.725 59.752 59.018 0.015 0.000 1.648 710 C CB -1.537 26.170 27.740 -0.055 0.000 2.571 710 C HN 0.756 nan 8.230 nan 0.000 0.601 711 T N 3.652 118.288 114.554 0.136 0.000 2.856 711 T HA 0.328 4.677 4.350 -0.001 0.000 0.306 711 T C 1.397 176.175 174.700 0.129 0.000 1.062 711 T CA 0.034 62.245 62.100 0.184 0.000 1.083 711 T CB 1.055 70.007 68.868 0.140 0.000 0.984 711 T HN 0.987 nan 8.240 nan 0.000 0.542 712 G N 0.462 109.370 108.800 0.179 0.000 2.446 712 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 712 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 712 G C 1.160 176.032 174.900 -0.046 0.000 1.168 712 G CA 1.098 46.225 45.100 0.046 0.000 0.771 712 G HN 0.933 nan 8.290 nan 0.000 0.551 713 D N -0.512 119.903 120.400 0.025 0.000 2.117 713 D HA -0.075 4.564 4.640 -0.001 0.000 0.198 713 D C 2.316 178.624 176.300 0.013 0.000 0.982 713 D CA 0.544 54.557 54.000 0.021 0.000 0.828 713 D CB -0.181 40.650 40.800 0.052 0.000 0.967 713 D HN 0.142 nan 8.370 nan 0.000 0.464 714 L N 0.124 121.363 121.223 0.027 0.000 2.083 714 L HA -0.065 4.274 4.340 -0.001 0.000 0.209 714 L C 2.112 179.018 176.870 0.060 0.000 1.083 714 L CA 1.531 56.397 54.840 0.043 0.000 0.752 714 L CB -0.743 41.340 42.059 0.040 0.000 0.899 714 L HN 0.188 nan 8.230 nan 0.000 0.433 715 M N -1.367 118.199 119.600 -0.058 0.000 2.117 715 M HA -0.141 4.338 4.480 -0.001 0.000 0.262 715 M C 2.048 178.312 176.300 -0.060 0.000 1.065 715 M CA 1.840 57.057 55.300 -0.139 0.000 1.114 715 M CB -0.630 31.642 32.600 -0.546 0.000 1.361 715 M HN 0.103 nan 8.290 nan 0.000 0.408 716 V N 0.315 120.181 119.914 -0.079 0.000 2.295 716 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 716 V C 2.526 178.580 176.094 -0.067 0.000 1.049 716 V CA 1.644 63.898 62.300 -0.078 0.000 1.024 716 V CB -0.878 30.898 31.823 -0.078 0.000 0.648 716 V HN 0.369 nan 8.190 nan 0.000 0.447 717 R N -1.119 119.366 120.500 -0.025 0.000 2.115 717 R HA -0.100 4.240 4.340 -0.001 0.000 0.230 717 R C 2.088 178.400 176.300 0.021 0.000 1.111 717 R CA 1.207 57.289 56.100 -0.030 0.000 0.976 717 R CB -0.942 29.342 30.300 -0.026 0.000 0.870 717 R HN 0.546 nan 8.270 nan 0.000 0.445 718 Y N 0.533 120.831 120.300 -0.004 0.000 2.263 718 Y HA -0.112 4.438 4.550 -0.001 0.000 0.292 718 Y C 2.356 178.333 175.900 0.128 0.000 1.130 718 Y CA 0.745 58.879 58.100 0.056 0.000 1.179 718 Y CB -0.096 38.388 38.460 0.039 0.000 0.998 718 Y HN -0.259 nan 8.280 nan 0.000 0.532 719 V N -0.378 119.711 119.914 0.291 0.000 2.346 719 V HA -0.281 3.839 4.120 -0.001 0.000 0.244 719 V C 2.064 178.275 176.094 0.195 0.000 1.037 719 V CA 1.855 64.362 62.300 0.345 0.000 1.029 719 V CB -0.517 31.469 31.823 0.272 0.000 0.663 719 V HN 0.354 nan 8.190 nan 0.000 0.454 720 Q N -0.085 119.683 119.800 -0.053 0.000 2.135 720 Q HA -0.215 4.125 4.340 -0.001 0.000 0.204 720 Q C 2.310 178.329 176.000 0.032 0.000 0.981 720 Q CA 1.909 57.588 55.803 -0.207 0.000 0.856 720 Q CB -0.378 28.125 28.738 -0.392 0.000 0.902 720 Q HN 0.683 nan 8.270 nan 0.000 0.425 721 A N 0.099 122.977 122.820 0.095 0.000 1.968 721 A HA 0.016 4.335 4.320 -0.001 0.000 0.217 721 A C 1.973 179.689 177.584 0.219 0.000 1.169 721 A CA 1.338 53.476 52.037 0.167 0.000 0.638 721 A CB -0.258 18.807 19.000 0.109 0.000 0.812 721 A HN 0.432 nan 8.150 nan 0.000 0.446 722 G N -1.196 107.738 108.800 0.224 0.000 3.277 722 G HA2 0.122 4.082 3.960 -0.001 0.000 0.243 722 G HA3 0.122 4.082 3.960 -0.001 0.000 0.243 722 G C 1.109 175.886 174.900 -0.205 0.000 1.107 722 G CA 0.763 45.976 45.100 0.189 0.000 0.771 722 G HN 0.811 nan 8.290 nan 0.000 0.544 723 C N -0.993 118.140 119.300 -0.279 0.000 2.539 723 C HA 0.476 4.935 4.460 -0.001 0.000 0.271 723 C C 1.474 176.282 174.990 -0.304 0.000 1.412 723 C CA -0.120 58.487 59.018 -0.684 0.000 1.729 723 C CB -1.118 26.598 27.740 -0.041 0.000 1.739 723 C HN 0.261 nan 8.230 nan 0.000 0.570 724 L N -0.458 120.725 121.223 -0.067 0.000 3.515 724 L HA 0.359 4.699 4.340 -0.001 0.000 0.322 724 L C 0.258 177.193 176.870 0.108 0.000 1.225 724 L CA -0.097 54.797 54.840 0.090 0.000 1.104 724 L CB 0.108 42.329 42.059 0.270 0.000 1.506 724 L HN 0.237 nan 8.230 nan 0.000 0.624 725 L N 0.959 122.221 121.223 0.066 0.000 2.452 725 L HA 0.132 4.471 4.340 -0.001 0.000 0.267 725 L C -1.113 175.851 176.870 0.157 0.000 1.188 725 L CA -1.357 53.529 54.840 0.077 0.000 0.821 725 L CB 0.308 42.420 42.059 0.089 0.000 1.102 725 L HN -0.207 nan 8.230 nan 0.000 0.470 726 P HA -0.193 nan 4.420 nan 0.000 0.215 726 P C -0.298 177.315 177.300 0.522 0.000 1.163 726 P CA 1.331 64.656 63.100 0.376 0.000 0.894 726 P CB 0.094 31.977 31.700 0.305 0.000 0.791 727 W N 0.128 121.567 121.300 0.232 0.000 2.417 727 W HA 0.439 5.098 4.660 -0.001 0.000 0.315 727 W C -1.823 174.920 176.519 0.372 0.000 1.045 727 W CA -0.893 56.583 57.345 0.219 0.000 1.221 727 W CB 0.779 30.307 29.460 0.114 0.000 1.309 727 W HN -0.235 nan 8.180 nan 0.000 0.453 728 F N 8.159 127.913 119.950 -0.327 0.000 2.366 728 F HA 0.458 4.984 4.527 -0.001 0.000 0.366 728 F C -0.687 174.809 175.800 -0.507 0.000 1.096 728 F CA -1.311 56.565 58.000 -0.207 0.000 1.060 728 F CB 0.567 39.670 39.000 0.171 0.000 1.282 728 F HN 0.498 nan 8.300 nan 0.000 0.450 729 R N 4.639 124.722 120.500 -0.696 0.000 2.510 729 R HA 0.290 4.630 4.340 -0.001 0.000 0.287 729 R C -1.669 174.359 176.300 -0.452 0.000 1.084 729 R CA -0.620 55.003 56.100 -0.795 0.000 0.934 729 R CB 1.047 30.741 30.300 -1.010 0.000 1.201 729 R HN 0.504 nan 8.270 nan 0.000 0.431 730 N N 3.582 122.006 118.700 -0.460 0.000 2.415 730 N HA 0.093 4.832 4.740 -0.001 0.000 0.246 730 N C -1.496 174.037 175.510 0.039 0.000 1.078 730 N CA 0.209 53.175 53.050 -0.141 0.000 0.942 730 N CB 0.423 38.898 38.487 -0.020 0.000 1.140 730 N HN 0.655 nan 8.380 nan 0.000 0.501 731 H N 3.225 122.304 119.070 0.015 0.000 2.768 731 H HA 0.396 4.951 4.556 -0.001 0.000 0.371 731 H C -1.404 174.151 175.328 0.377 0.000 1.151 731 H CA -0.672 55.458 56.048 0.137 0.000 1.165 731 H CB 1.624 31.366 29.762 -0.033 0.000 1.722 731 H HN 0.595 nan 8.280 nan 0.000 0.543 732 Y N 0.955 120.993 120.300 -0.437 0.000 2.641 732 Y HA 0.219 4.768 4.550 -0.001 0.000 0.333 732 Y C -1.720 173.892 175.900 -0.480 0.000 1.174 732 Y CA -1.251 56.610 58.100 -0.399 0.000 1.057 732 Y CB 0.882 39.212 38.460 -0.216 0.000 1.322 732 Y HN 0.483 nan 8.280 nan 0.000 0.457 733 D N 2.614 122.510 120.400 -0.840 0.000 2.339 733 D HA 0.162 4.801 4.640 -0.001 0.000 0.256 733 D C -0.609 175.540 176.300 -0.252 0.000 1.214 733 D CA 0.087 53.765 54.000 -0.536 0.000 0.877 733 D CB 0.612 41.008 40.800 -0.673 0.000 1.111 733 D HN 0.704 nan 8.370 nan 0.000 0.478 734 R N 4.156 124.435 120.500 -0.368 0.000 2.346 734 R HA 0.242 4.581 4.340 -0.001 0.000 0.311 734 R C -0.875 175.346 176.300 -0.131 0.000 0.983 734 R CA -0.908 55.103 56.100 -0.148 0.000 0.880 734 R CB 0.604 30.766 30.300 -0.229 0.000 1.100 734 R HN 0.538 nan 8.270 nan 0.000 0.453 735 W N 7.783 129.000 121.300 -0.138 0.000 2.368 735 W HA 0.250 4.909 4.660 -0.001 0.000 0.316 735 W C -0.338 176.095 176.519 -0.145 0.000 1.375 735 W CA -0.086 57.161 57.345 -0.164 0.000 1.261 735 W CB 0.359 29.759 29.460 -0.100 0.000 1.298 735 W HN 0.494 nan 8.180 nan 0.000 0.539 736 I N 1.639 122.014 120.570 -0.325 0.000 3.074 736 I HA 0.339 4.509 4.170 -0.001 0.000 0.310 736 I C 0.871 176.597 176.117 -0.653 0.000 1.153 736 I CA -1.013 60.159 61.300 -0.213 0.000 0.993 736 I CB 2.107 39.991 38.000 -0.193 0.000 1.237 736 I HN 0.493 nan 8.210 nan 0.000 0.443 737 E N 1.567 121.576 120.200 -0.319 0.000 2.160 737 E HA -0.177 4.173 4.350 -0.001 0.000 0.195 737 E C 1.429 177.804 176.600 -0.375 0.000 0.991 737 E CA 2.113 58.313 56.400 -0.333 0.000 0.810 737 E CB 0.176 29.843 29.700 -0.054 0.000 0.742 737 E HN 0.794 nan 8.360 nan 0.000 0.466 738 S N -0.246 115.263 115.700 -0.319 0.000 2.522 738 S HA 0.000 4.469 4.470 -0.001 0.000 0.227 738 S C 0.814 175.217 174.600 -0.329 0.000 0.986 738 S CA 0.197 58.244 58.200 -0.256 0.000 0.929 738 S CB 0.176 63.266 63.200 -0.184 0.000 0.769 738 S HN 0.090 nan 8.310 nan 0.000 0.529 739 K N 2.063 122.150 120.400 -0.523 0.000 2.790 739 K HA 0.123 4.443 4.320 -0.001 0.000 0.253 739 K C -1.735 174.317 176.600 -0.912 0.000 1.082 739 K CA -0.202 55.719 56.287 -0.609 0.000 1.067 739 K CB 0.587 32.680 32.500 -0.678 0.000 1.284 739 K HN 0.106 nan 8.250 nan 0.000 0.529 740 D N 2.369 122.325 120.400 -0.741 0.000 2.856 740 D HA 0.007 4.646 4.640 -0.001 0.000 0.242 740 D C -0.248 175.847 176.300 -0.341 0.000 1.226 740 D CA 0.044 53.524 54.000 -0.865 0.000 0.855 740 D CB -0.227 40.387 40.800 -0.309 0.000 1.065 740 D HN 0.534 nan 8.370 nan 0.000 0.462 741 H N -2.957 115.897 119.070 -0.360 0.000 2.865 741 H HA 0.777 5.333 4.556 -0.001 0.000 0.362 741 H C 0.255 175.593 175.328 0.015 0.000 1.114 741 H CA -0.644 55.396 56.048 -0.014 0.000 1.208 741 H CB 1.706 31.481 29.762 0.021 0.000 1.727 741 H HN 0.197 nan 8.280 nan 0.000 0.534 742 G N 1.440 110.419 108.800 0.299 0.000 2.316 742 G HA2 0.121 4.081 3.960 -0.001 0.000 0.349 742 G HA3 0.121 4.081 3.960 -0.001 0.000 0.349 742 G C -1.655 173.377 174.900 0.219 0.000 1.274 742 G CA -0.963 44.248 45.100 0.184 0.000 1.018 742 G HN 0.718 nan 8.290 nan 0.000 0.486 743 K N -0.459 120.038 120.400 0.162 0.000 2.221 743 K HA 0.534 4.853 4.320 -0.001 0.000 0.243 743 K C 0.168 176.813 176.600 0.075 0.000 0.968 743 K CA -0.877 55.449 56.287 0.065 0.000 0.846 743 K CB 1.847 34.346 32.500 -0.002 0.000 1.141 743 K HN 0.309 nan 8.250 nan 0.000 0.434 744 D N 0.146 120.468 120.400 -0.131 0.000 2.097 744 D HA -0.079 4.560 4.640 -0.001 0.000 0.195 744 D C 0.057 176.356 176.300 -0.002 0.000 0.989 744 D CA 1.845 55.770 54.000 -0.124 0.000 0.827 744 D CB 0.003 40.621 40.800 -0.302 0.000 0.966 744 D HN 0.467 nan 8.370 nan 0.000 0.456 745 Y N -3.445 116.786 120.300 -0.116 0.000 2.713 745 Y HA 0.494 5.043 4.550 -0.001 0.000 0.335 745 Y C -0.190 175.323 175.900 -0.646 0.000 1.222 745 Y CA -1.014 56.924 58.100 -0.270 0.000 1.061 745 Y CB 0.884 39.193 38.460 -0.252 0.000 1.314 745 Y HN -0.220 nan 8.280 nan 0.000 0.453 746 Q N -0.351 119.156 119.800 -0.487 0.000 1.842 746 Q HA 0.229 4.569 4.340 -0.001 0.000 0.180 746 Q C -1.087 174.847 176.000 -0.109 0.000 0.751 746 Q CA -0.097 55.475 55.803 -0.385 0.000 0.861 746 Q CB 0.611 28.776 28.738 -0.954 0.000 1.223 746 Q HN 0.805 nan 8.270 nan 0.000 0.401 747 E N 1.138 121.207 120.200 -0.219 0.000 2.481 747 E HA -0.077 4.272 4.350 -0.001 0.000 0.263 747 E C 0.979 177.370 176.600 -0.349 0.000 0.992 747 E CA 0.268 56.470 56.400 -0.330 0.000 0.938 747 E CB 0.506 29.634 29.700 -0.954 0.000 0.933 747 E HN 0.276 nan 8.360 nan 0.000 0.453 748 L N 2.102 123.245 121.223 -0.133 0.000 2.081 748 L HA -0.252 4.088 4.340 -0.001 0.000 0.212 748 L C 1.979 178.755 176.870 -0.157 0.000 1.080 748 L CA 1.625 56.426 54.840 -0.063 0.000 0.754 748 L CB -0.611 41.388 42.059 -0.100 0.000 0.893 748 L HN 0.791 nan 8.230 nan 0.000 0.433 749 Y N -3.124 116.886 120.300 -0.483 0.000 2.561 749 Y HA 0.022 4.571 4.550 -0.001 0.000 0.291 749 Y C 2.087 177.835 175.900 -0.253 0.000 1.141 749 Y CA 0.112 58.002 58.100 -0.350 0.000 1.303 749 Y CB -0.478 37.652 38.460 -0.549 0.000 1.015 749 Y HN 0.026 nan 8.280 nan 0.000 0.547 750 M N 0.357 119.534 119.600 -0.705 0.000 2.639 750 M HA 0.102 4.581 4.480 -0.001 0.000 0.220 750 M C -1.176 174.649 176.300 -0.792 0.000 1.155 750 M CA 0.300 55.093 55.300 -0.845 0.000 1.003 750 M CB -1.204 30.561 32.600 -1.391 0.000 1.725 750 M HN 0.367 nan 8.290 nan 0.000 0.489 751 Y N 0.406 120.587 120.300 -0.198 0.000 2.787 751 Y HA 0.279 4.828 4.550 -0.001 0.000 0.352 751 Y C -1.592 174.303 175.900 -0.008 0.000 1.027 751 Y CA -1.888 56.170 58.100 -0.069 0.000 1.219 751 Y CB 0.366 38.817 38.460 -0.015 0.000 1.110 751 Y HN 0.079 nan 8.280 nan 0.000 0.614 752 P HA -0.195 nan 4.420 nan 0.000 0.215 752 P C 0.875 178.226 177.300 0.085 0.000 1.157 752 P CA 1.598 64.734 63.100 0.059 0.000 0.874 752 P CB 0.606 32.312 31.700 0.010 0.000 0.790 753 N N -0.162 118.594 118.700 0.094 0.000 2.149 753 N HA -0.151 4.588 4.740 -0.001 0.000 0.188 753 N C 1.376 176.943 175.510 0.095 0.000 1.019 753 N CA 1.266 54.368 53.050 0.086 0.000 0.857 753 N CB -0.430 38.111 38.487 0.090 0.000 0.997 753 N HN 0.258 nan 8.380 nan 0.000 0.426 754 E N -0.940 119.339 120.200 0.132 0.000 2.498 754 E HA 0.216 4.565 4.350 -0.001 0.000 0.203 754 E C 1.452 178.134 176.600 0.136 0.000 1.013 754 E CA -0.200 56.267 56.400 0.113 0.000 0.927 754 E CB 0.144 29.895 29.700 0.085 0.000 1.012 754 E HN 0.236 nan 8.360 nan 0.000 0.482 755 M N 0.948 120.647 119.600 0.166 0.000 2.151 755 M HA -0.272 4.208 4.480 -0.001 0.000 0.256 755 M C 0.988 177.363 176.300 0.127 0.000 1.072 755 M CA 1.841 57.269 55.300 0.213 0.000 1.090 755 M CB -0.386 32.330 32.600 0.194 0.000 1.294 755 M HN 0.163 nan 8.290 nan 0.000 0.415 756 D N -0.596 119.841 120.400 0.062 0.000 2.104 756 D HA -0.135 4.504 4.640 -0.001 0.000 0.194 756 D C 1.859 178.175 176.300 0.027 0.000 0.994 756 D CA 1.801 55.804 54.000 0.004 0.000 0.830 756 D CB -0.731 40.067 40.800 -0.002 0.000 0.959 756 D HN 0.367 nan 8.370 nan 0.000 0.452 757 T N 1.618 116.222 114.554 0.082 0.000 2.652 757 T HA -0.098 4.251 4.350 -0.001 0.000 0.267 757 T C 2.222 177.066 174.700 0.241 0.000 1.039 757 T CA 0.580 62.778 62.100 0.164 0.000 1.153 757 T CB -0.433 68.520 68.868 0.142 0.000 0.863 757 T HN 0.099 nan 8.240 nan 0.000 0.428 758 L N 0.517 121.848 121.223 0.181 0.000 1.965 758 L HA -0.258 4.081 4.340 -0.001 0.000 0.226 758 L C 2.861 179.857 176.870 0.209 0.000 1.083 758 L CA 2.060 57.036 54.840 0.228 0.000 0.790 758 L CB -0.622 41.618 42.059 0.302 0.000 0.898 758 L HN 0.216 nan 8.230 nan 0.000 0.439 759 R N 0.880 121.363 120.500 -0.028 0.000 2.091 759 R HA -0.220 4.120 4.340 -0.001 0.000 0.238 759 R C 2.427 178.611 176.300 -0.194 0.000 1.136 759 R CA 2.068 57.891 56.100 -0.462 0.000 0.959 759 R CB -0.173 29.578 30.300 -0.914 0.000 0.856 759 R HN 0.467 nan 8.270 nan 0.000 0.437 760 K N -0.838 119.504 120.400 -0.095 0.000 2.097 760 K HA -0.156 4.163 4.320 -0.001 0.000 0.206 760 K C 1.701 178.237 176.600 -0.107 0.000 1.049 760 K CA 1.608 57.823 56.287 -0.120 0.000 0.933 760 K CB -0.412 31.986 32.500 -0.169 0.000 0.717 760 K HN 0.152 nan 8.250 nan 0.000 0.442 761 F N 1.648 121.602 119.950 0.006 0.000 2.407 761 F HA -0.080 4.447 4.527 -0.001 0.000 0.299 761 F C 2.121 178.029 175.800 0.180 0.000 1.097 761 F CA 0.647 58.705 58.000 0.096 0.000 1.422 761 F CB 0.097 39.147 39.000 0.084 0.000 1.067 761 F HN -0.178 nan 8.300 nan 0.000 0.539 762 V N -0.593 119.472 119.914 0.252 0.000 2.346 762 V HA -0.201 3.918 4.120 -0.001 0.000 0.244 762 V C 1.993 178.160 176.094 0.123 0.000 1.037 762 V CA 1.594 64.014 62.300 0.199 0.000 1.029 762 V CB -0.760 31.079 31.823 0.027 0.000 0.663 762 V HN 0.202 nan 8.190 nan 0.000 0.454 763 E N 0.162 120.364 120.200 0.003 0.000 2.114 763 E HA -0.293 4.056 4.350 -0.001 0.000 0.199 763 E C 1.988 178.670 176.600 0.137 0.000 1.008 763 E CA 1.981 58.398 56.400 0.029 0.000 0.810 763 E CB -0.377 29.317 29.700 -0.009 0.000 0.739 763 E HN 0.586 nan 8.360 nan 0.000 0.456 764 F N 1.717 121.628 119.950 -0.066 0.000 2.126 764 F HA -0.204 4.322 4.527 -0.001 0.000 0.299 764 F C 2.391 178.154 175.800 -0.061 0.000 1.096 764 F CA 1.790 59.694 58.000 -0.160 0.000 1.255 764 F CB -0.113 38.707 39.000 -0.300 0.000 0.997 764 F HN -0.204 nan 8.300 nan 0.000 0.479 765 R N -1.266 119.241 120.500 0.012 0.000 2.081 765 R HA -0.222 4.118 4.340 -0.001 0.000 0.235 765 R C 2.222 178.548 176.300 0.044 0.000 1.131 765 R CA 1.857 57.953 56.100 -0.007 0.000 0.960 765 R CB -0.752 29.661 30.300 0.189 0.000 0.856 765 R HN 0.342 nan 8.270 nan 0.000 0.436 766 Y N 0.580 120.852 120.300 -0.047 0.000 2.242 766 Y HA -0.077 4.472 4.550 -0.001 0.000 0.291 766 Y C 2.367 178.211 175.900 -0.094 0.000 1.137 766 Y CA 1.362 59.435 58.100 -0.045 0.000 1.181 766 Y CB -0.061 38.414 38.460 0.025 0.000 0.989 766 Y HN 0.045 nan 8.280 nan 0.000 0.527 767 R N -1.908 118.594 120.500 0.003 0.000 2.115 767 R HA -0.172 4.168 4.340 -0.001 0.000 0.230 767 R C 0.884 177.188 176.300 0.007 0.000 1.111 767 R CA 1.184 57.213 56.100 -0.119 0.000 0.976 767 R CB -0.396 29.773 30.300 -0.218 0.000 0.870 767 R HN 0.291 nan 8.270 nan 0.000 0.445 768 W N 2.783 123.921 121.300 -0.270 0.000 3.391 768 W HA 0.087 4.747 4.660 -0.001 0.000 0.372 768 W C 1.495 177.851 176.519 -0.273 0.000 1.171 768 W CA -0.645 56.534 57.345 -0.277 0.000 1.862 768 W CB -0.427 28.812 29.460 -0.367 0.000 1.048 768 W HN 0.263 nan 8.180 nan 0.000 0.726 769 Q N -0.030 119.714 119.800 -0.092 0.000 2.077 769 Q HA -0.234 4.105 4.340 -0.001 0.000 0.206 769 Q C 1.299 177.177 176.000 -0.204 0.000 0.989 769 Q CA 1.703 57.365 55.803 -0.236 0.000 0.853 769 Q CB -0.630 27.888 28.738 -0.366 0.000 0.907 769 Q HN 0.137 nan 8.270 nan 0.000 0.418 770 E N 0.900 121.026 120.200 -0.123 0.000 2.204 770 E HA -0.100 4.249 4.350 -0.001 0.000 0.194 770 E C 2.322 178.874 176.600 -0.080 0.000 0.989 770 E CA 1.059 57.437 56.400 -0.037 0.000 0.824 770 E CB -0.231 29.455 29.700 -0.025 0.000 0.756 770 E HN 0.276 nan 8.360 nan 0.000 0.477 771 V N 1.782 121.596 119.914 -0.167 0.000 2.282 771 V HA -0.270 3.849 4.120 -0.001 0.000 0.249 771 V C 2.502 178.441 176.094 -0.258 0.000 1.057 771 V CA 1.577 63.728 62.300 -0.250 0.000 1.032 771 V CB -0.554 31.009 31.823 -0.434 0.000 0.645 771 V HN 0.195 nan 8.190 nan 0.000 0.447 772 L N -1.910 119.102 121.223 -0.352 0.000 2.027 772 L HA -0.181 4.158 4.340 -0.001 0.000 0.206 772 L C 2.498 178.985 176.870 -0.639 0.000 1.074 772 L CA 1.718 56.176 54.840 -0.636 0.000 0.745 772 L CB -0.733 40.701 42.059 -1.042 0.000 0.898 772 L HN 0.295 nan 8.230 nan 0.000 0.433 773 Y N 1.018 120.966 120.300 -0.587 0.000 2.081 773 Y HA -0.321 4.228 4.550 -0.001 0.000 0.280 773 Y C 2.811 178.604 175.900 -0.178 0.000 1.163 773 Y CA 1.969 59.915 58.100 -0.257 0.000 1.135 773 Y CB -0.822 37.582 38.460 -0.093 0.000 0.970 773 Y HN 0.109 nan 8.280 nan 0.000 0.498 774 T N 0.025 114.549 114.554 -0.051 0.000 2.867 774 T HA -0.104 4.246 4.350 -0.001 0.000 0.268 774 T C 2.073 176.757 174.700 -0.026 0.000 1.057 774 T CA 1.155 63.245 62.100 -0.017 0.000 1.136 774 T CB -0.543 68.349 68.868 0.040 0.000 0.874 774 T HN 0.427 nan 8.240 nan 0.000 0.466 775 A N 1.021 123.778 122.820 -0.106 0.000 1.929 775 A HA 0.002 4.321 4.320 -0.001 0.000 0.216 775 A C 2.177 179.688 177.584 -0.121 0.000 1.176 775 A CA 1.395 53.368 52.037 -0.108 0.000 0.628 775 A CB -0.553 18.358 19.000 -0.149 0.000 0.816 775 A HN 0.382 nan 8.150 nan 0.000 0.444 776 M N -1.356 118.164 119.600 -0.134 0.000 2.086 776 M HA -0.121 4.358 4.480 -0.001 0.000 0.261 776 M C 1.971 178.117 176.300 -0.257 0.000 1.067 776 M CA 1.822 57.052 55.300 -0.117 0.000 1.116 776 M CB -0.991 31.646 32.600 0.061 0.000 1.348 776 M HN 0.549 nan 8.290 nan 0.000 0.407 777 Y N 0.884 120.889 120.300 -0.492 0.000 2.114 777 Y HA -0.299 4.250 4.550 -0.001 0.000 0.282 777 Y C 1.997 177.668 175.900 -0.382 0.000 1.165 777 Y CA 2.377 60.107 58.100 -0.617 0.000 1.148 777 Y CB -0.754 37.252 38.460 -0.758 0.000 0.972 777 Y HN 0.443 nan 8.280 nan 0.000 0.504 778 Q N -0.003 119.577 119.800 -0.366 0.000 2.439 778 Q HA -0.182 4.157 4.340 -0.001 0.000 0.211 778 Q C 1.962 177.816 176.000 -0.243 0.000 0.978 778 Q CA 1.120 56.789 55.803 -0.222 0.000 0.897 778 Q CB -0.297 28.472 28.738 0.052 0.000 0.956 778 Q HN 0.658 nan 8.270 nan 0.000 0.483 779 N N -0.105 118.410 118.700 -0.309 0.000 2.387 779 N HA -0.029 4.710 4.740 -0.001 0.000 0.176 779 N C 1.594 176.885 175.510 -0.366 0.000 1.022 779 N CA 0.821 53.712 53.050 -0.265 0.000 0.883 779 N CB 0.184 38.547 38.487 -0.206 0.000 1.019 779 N HN 0.156 nan 8.380 nan 0.000 0.435 780 A N 1.060 123.597 122.820 -0.471 0.000 1.897 780 A HA 0.170 4.489 4.320 -0.001 0.000 0.215 780 A C 2.338 179.583 177.584 -0.565 0.000 1.181 780 A CA 1.533 53.287 52.037 -0.473 0.000 0.620 780 A CB -0.745 17.981 19.000 -0.457 0.000 0.821 780 A HN 0.445 nan 8.150 nan 0.000 0.443 781 A N -1.267 121.004 122.820 -0.915 0.000 1.854 781 A HA 0.220 4.540 4.320 -0.001 0.000 0.214 781 A C 1.602 178.630 177.584 -0.927 0.000 1.192 781 A CA 1.522 52.845 52.037 -1.190 0.000 0.611 781 A CB -0.432 17.229 19.000 -2.232 0.000 0.832 781 A HN 0.515 nan 8.150 nan 0.000 0.442 782 F N -2.029 117.742 119.950 -0.299 0.000 2.728 782 F HA 0.428 4.954 4.527 -0.001 0.000 0.314 782 F C 1.738 177.453 175.800 -0.142 0.000 1.094 782 F CA 0.015 57.909 58.000 -0.175 0.000 1.217 782 F CB 0.041 38.949 39.000 -0.153 0.000 1.056 782 F HN 0.365 nan 8.300 nan 0.000 0.577 783 G N 0.919 109.671 108.800 -0.079 0.000 2.179 783 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.260 783 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.260 783 G C 0.345 175.211 174.900 -0.056 0.000 0.977 783 G CA -0.126 44.916 45.100 -0.096 0.000 0.641 783 G HN 0.345 nan 8.290 nan 0.000 0.533 784 K N 1.246 121.636 120.400 -0.016 0.000 2.485 784 K HA 0.341 4.660 4.320 -0.001 0.000 0.277 784 K C -2.337 174.227 176.600 -0.060 0.000 0.990 784 K CA -1.073 55.203 56.287 -0.017 0.000 0.994 784 K CB 0.465 32.964 32.500 -0.001 0.000 0.906 784 K HN 0.102 nan 8.250 nan 0.000 0.488 785 P HA 0.022 nan 4.420 nan 0.000 0.271 785 P C 0.414 177.663 177.300 -0.085 0.000 1.220 785 P CA 0.129 63.191 63.100 -0.063 0.000 0.768 785 P CB 0.442 32.120 31.700 -0.037 0.000 0.848 786 I N 2.678 123.202 120.570 -0.077 0.000 2.099 786 I HA -0.162 4.008 4.170 -0.001 0.000 0.239 786 I C 1.203 177.273 176.117 -0.080 0.000 1.066 786 I CA 1.456 62.709 61.300 -0.079 0.000 1.324 786 I CB -0.238 37.733 38.000 -0.048 0.000 1.037 786 I HN 0.279 nan 8.210 nan 0.000 0.401 787 I N 1.820 122.356 120.570 -0.056 0.000 2.440 787 I HA 0.197 4.366 4.170 -0.001 0.000 0.294 787 I C -0.059 176.038 176.117 -0.033 0.000 0.995 787 I CA -0.182 61.099 61.300 -0.032 0.000 1.306 787 I CB 1.106 39.046 38.000 -0.100 0.000 1.407 787 I HN 0.120 nan 8.210 nan 0.000 0.501 788 K N 4.773 125.181 120.400 0.012 0.000 2.502 788 K HA 0.537 4.856 4.320 -0.001 0.000 0.254 788 K C -0.518 176.153 176.600 0.118 0.000 0.947 788 K CA -0.647 55.634 56.287 -0.010 0.000 0.834 788 K CB 2.104 34.464 32.500 -0.234 0.000 1.112 788 K HN 0.688 nan 8.250 nan 0.000 0.427 789 A N 1.953 124.837 122.820 0.108 0.000 2.587 789 A HA 0.193 4.513 4.320 -0.001 0.000 0.233 789 A C 1.537 179.223 177.584 0.170 0.000 1.049 789 A CA 0.870 52.986 52.037 0.132 0.000 0.754 789 A CB 0.113 19.146 19.000 0.056 0.000 0.977 789 A HN 0.875 nan 8.150 nan 0.000 0.509 790 A N 2.126 125.056 122.820 0.184 0.000 1.927 790 A HA -0.160 4.159 4.320 -0.001 0.000 0.220 790 A C 2.347 180.028 177.584 0.163 0.000 1.185 790 A CA 2.575 54.719 52.037 0.179 0.000 0.639 790 A CB -1.062 18.027 19.000 0.149 0.000 0.820 790 A HN 1.969 nan 8.150 nan 0.000 0.451 791 S N -1.449 114.297 115.700 0.076 0.000 2.603 791 S HA 0.071 4.540 4.470 -0.001 0.000 0.229 791 S C 1.590 176.179 174.600 -0.018 0.000 0.972 791 S CA 1.130 59.323 58.200 -0.012 0.000 0.935 791 S CB -0.490 62.602 63.200 -0.179 0.000 0.769 791 S HN 0.511 nan 8.310 nan 0.000 0.536 792 M N -0.073 119.585 119.600 0.097 0.000 2.447 792 M HA 0.242 4.721 4.480 -0.001 0.000 0.264 792 M C 0.259 176.659 176.300 0.166 0.000 1.095 792 M CA 0.290 55.682 55.300 0.154 0.000 1.125 792 M CB -0.038 32.734 32.600 0.286 0.000 1.389 792 M HN 0.424 nan 8.290 nan 0.000 0.459 793 Y N 2.357 122.721 120.300 0.106 0.000 2.496 793 Y HA 0.047 4.596 4.550 -0.001 0.000 0.334 793 Y C -0.124 175.739 175.900 -0.061 0.000 1.080 793 Y CA -0.438 57.647 58.100 -0.026 0.000 1.355 793 Y CB 0.176 38.703 38.460 0.112 0.000 1.193 793 Y HN 0.104 nan 8.280 nan 0.000 0.523 794 N N 4.165 122.681 118.700 -0.308 0.000 2.493 794 N HA 0.206 4.945 4.740 -0.001 0.000 0.275 794 N C -0.336 175.110 175.510 -0.105 0.000 1.186 794 N CA -0.192 52.754 53.050 -0.174 0.000 0.978 794 N CB 0.634 38.994 38.487 -0.211 0.000 1.184 794 N HN 0.794 nan 8.380 nan 0.000 0.487 795 N N -1.276 117.406 118.700 -0.029 0.000 2.850 795 N HA -0.185 4.554 4.740 -0.001 0.000 0.249 795 N C -1.534 174.029 175.510 0.087 0.000 1.060 795 N CA 0.542 53.598 53.050 0.009 0.000 0.825 795 N CB -0.573 37.899 38.487 -0.026 0.000 1.132 795 N HN 0.540 nan 8.380 nan 0.000 0.564 796 D N 0.301 120.784 120.400 0.139 0.000 2.481 796 D HA 0.263 4.902 4.640 -0.001 0.000 0.246 796 D C 0.468 176.821 176.300 0.089 0.000 1.109 796 D CA -0.325 53.787 54.000 0.186 0.000 0.845 796 D CB 1.024 42.037 40.800 0.354 0.000 1.160 796 D HN 0.171 nan 8.370 nan 0.000 0.534 797 S N 2.328 118.053 115.700 0.042 0.000 2.634 797 S HA 0.126 4.595 4.470 -0.001 0.000 0.221 797 S C 0.676 175.220 174.600 -0.093 0.000 0.952 797 S CA -0.190 58.000 58.200 -0.016 0.000 0.930 797 S CB -0.228 62.966 63.200 -0.010 0.000 0.780 797 S HN 0.486 nan 8.310 nan 0.000 0.498 798 N N 0.031 118.629 118.700 -0.170 0.000 2.118 798 N HA 0.152 4.891 4.740 -0.001 0.000 0.226 798 N C 1.184 176.356 175.510 -0.565 0.000 1.305 798 N CA 0.428 53.196 53.050 -0.471 0.000 0.890 798 N CB 1.259 39.246 38.487 -0.834 0.000 1.118 798 N HN 0.309 nan 8.380 nan 0.000 0.511 799 V N -0.534 119.269 119.914 -0.186 0.000 2.667 799 V HA -0.051 4.068 4.120 -0.001 0.000 0.252 799 V C 2.167 178.228 176.094 -0.055 0.000 1.065 799 V CA 1.241 63.521 62.300 -0.033 0.000 1.083 799 V CB -0.515 31.375 31.823 0.112 0.000 0.692 799 V HN 0.220 nan 8.190 nan 0.000 0.468 800 R N 1.137 121.602 120.500 -0.059 0.000 2.115 800 R HA -0.105 4.234 4.340 -0.001 0.000 0.230 800 R C 2.544 178.812 176.300 -0.053 0.000 1.111 800 R CA 1.638 57.732 56.100 -0.010 0.000 0.976 800 R CB -0.298 30.006 30.300 0.006 0.000 0.870 800 R HN 0.569 nan 8.270 nan 0.000 0.445 801 R N -0.248 120.172 120.500 -0.133 0.000 2.236 801 R HA 0.050 4.389 4.340 -0.001 0.000 0.208 801 R C 1.051 177.245 176.300 -0.177 0.000 1.036 801 R CA 1.091 57.104 56.100 -0.146 0.000 1.001 801 R CB 0.086 30.282 30.300 -0.173 0.000 0.896 801 R HN 0.247 nan 8.270 nan 0.000 0.464 802 A N 1.057 123.739 122.820 -0.229 0.000 2.423 802 A HA 0.027 4.346 4.320 -0.001 0.000 0.246 802 A C 1.495 178.947 177.584 -0.220 0.000 1.278 802 A CA -0.313 51.503 52.037 -0.368 0.000 0.903 802 A CB 0.005 18.697 19.000 -0.514 0.000 0.997 802 A HN 0.585 nan 8.150 nan 0.000 0.510 803 Q N -0.489 119.281 119.800 -0.050 0.000 2.432 803 Q HA -0.040 4.299 4.340 -0.001 0.000 0.205 803 Q C 0.576 176.646 176.000 0.117 0.000 0.945 803 Q CA 0.803 56.651 55.803 0.076 0.000 0.924 803 Q CB -0.286 28.528 28.738 0.126 0.000 1.016 803 Q HN 0.396 nan 8.270 nan 0.000 0.503 804 N N 2.233 120.979 118.700 0.077 0.000 2.244 804 N HA -0.107 4.633 4.740 -0.001 0.000 0.183 804 N C 0.134 175.740 175.510 0.161 0.000 1.016 804 N CA 1.780 54.895 53.050 0.108 0.000 0.866 804 N CB 0.115 38.656 38.487 0.089 0.000 0.980 804 N HN 0.658 nan 8.380 nan 0.000 0.430 805 D N -2.861 117.658 120.400 0.198 0.000 2.538 805 D HA 0.081 4.720 4.640 -0.001 0.000 0.241 805 D C -0.523 176.045 176.300 0.447 0.000 1.297 805 D CA -0.265 53.910 54.000 0.292 0.000 0.804 805 D CB -0.537 40.403 40.800 0.233 0.000 1.122 805 D HN 0.014 nan 8.370 nan 0.000 0.519 806 H N 0.574 119.719 119.070 0.125 0.000 2.466 806 H HA 0.679 5.234 4.556 -0.001 0.000 0.338 806 H C -0.700 174.723 175.328 0.157 0.000 1.091 806 H CA -1.178 54.890 56.048 0.033 0.000 1.207 806 H CB 0.779 30.524 29.762 -0.028 0.000 1.466 806 H HN 0.127 nan 8.280 nan 0.000 0.493 807 F N 0.880 120.884 119.950 0.090 0.000 2.668 807 F HA 0.698 5.225 4.527 -0.001 0.000 0.309 807 F C -2.230 173.586 175.800 0.026 0.000 1.117 807 F CA -1.259 56.779 58.000 0.063 0.000 0.951 807 F CB 0.807 39.844 39.000 0.062 0.000 1.323 807 F HN 0.184 nan 8.300 nan 0.000 0.451 808 L N 3.140 124.486 121.223 0.205 0.000 2.301 808 L HA 0.922 5.262 4.340 -0.001 0.000 0.264 808 L C -0.579 176.333 176.870 0.071 0.000 1.016 808 L CA -0.958 53.931 54.840 0.081 0.000 0.821 808 L CB 2.030 44.153 42.059 0.106 0.000 1.346 808 L HN 0.976 nan 8.230 nan 0.000 0.429 809 L N -1.927 119.296 121.223 0.000 0.000 2.999 809 L HA 1.010 5.350 4.340 -0.001 0.000 0.274 809 L C -0.316 176.485 176.870 -0.116 0.000 1.044 809 L CA -0.563 54.236 54.840 -0.070 0.000 0.943 809 L CB 1.672 43.743 42.059 0.019 0.000 1.522 809 L HN 0.976 nan 8.230 nan 0.000 0.400 810 G N -1.058 107.646 108.800 -0.160 0.000 2.712 810 G HA2 0.496 4.455 3.960 -0.001 0.000 0.686 810 G HA3 0.496 4.455 3.960 -0.001 0.000 0.686 810 G C 0.220 175.018 174.900 -0.170 0.000 1.321 810 G CA -0.043 44.929 45.100 -0.213 0.000 0.813 810 G HN 3.011 nan 8.290 nan 0.000 0.599 811 G N -0.174 108.528 108.800 -0.162 0.000 2.685 811 G HA2 0.254 4.213 3.960 -0.001 0.000 0.387 811 G HA3 0.254 4.213 3.960 -0.001 0.000 0.387 811 G C 0.648 175.563 174.900 0.025 0.000 1.324 811 G CA 1.050 46.118 45.100 -0.054 0.000 0.878 811 G HN 2.687 nan 8.290 nan 0.000 0.527 812 H N -1.440 117.594 119.070 -0.060 0.000 2.423 812 H HA 0.074 4.629 4.556 -0.001 0.000 0.297 812 H C 1.833 177.149 175.328 -0.019 0.000 1.075 812 H CA 1.889 57.917 56.048 -0.033 0.000 1.342 812 H CB 0.110 29.843 29.762 -0.049 0.000 1.395 812 H HN 0.587 nan 8.280 nan 0.000 0.530 813 D N -0.854 119.124 120.400 -0.702 0.000 2.423 813 D HA 0.095 4.734 4.640 -0.001 0.000 0.208 813 D C 1.637 177.866 176.300 -0.119 0.000 1.068 813 D CA 0.610 54.313 54.000 -0.495 0.000 0.860 813 D CB 0.178 40.566 40.800 -0.685 0.000 0.992 813 D HN 0.624 nan 8.370 nan 0.000 0.504 814 G N 0.334 109.061 108.800 -0.121 0.000 2.157 814 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.239 814 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.239 814 G C -0.032 174.724 174.900 -0.241 0.000 0.982 814 G CA 0.259 45.265 45.100 -0.155 0.000 0.650 814 G HN 0.406 nan 8.290 nan 0.000 0.527 815 Y N -0.241 120.030 120.300 -0.048 0.000 2.669 815 Y HA 0.455 5.005 4.550 -0.001 0.000 0.302 815 Y C 1.887 177.838 175.900 0.085 0.000 1.000 815 Y CA -0.763 57.379 58.100 0.070 0.000 1.222 815 Y CB 0.534 39.066 38.460 0.119 0.000 1.209 815 Y HN 0.054 nan 8.280 nan 0.000 0.571 816 R N 0.158 120.713 120.500 0.091 0.000 2.175 816 R HA 0.304 4.643 4.340 -0.001 0.000 0.202 816 R C 0.015 176.336 176.300 0.036 0.000 1.018 816 R CA 0.471 56.576 56.100 0.009 0.000 1.029 816 R CB 0.361 30.605 30.300 -0.092 0.000 0.959 816 R HN 0.316 nan 8.270 nan 0.000 0.480 817 I N 1.347 121.933 120.570 0.028 0.000 2.412 817 I HA 0.264 4.433 4.170 -0.001 0.000 0.296 817 I C -0.727 175.474 176.117 0.140 0.000 0.987 817 I CA -1.025 60.327 61.300 0.087 0.000 1.180 817 I CB 1.945 39.927 38.000 -0.029 0.000 1.340 817 I HN -0.190 nan 8.210 nan 0.000 0.455 818 L N 7.175 128.483 121.223 0.142 0.000 2.325 818 L HA 0.581 4.920 4.340 -0.001 0.000 0.281 818 L C -1.004 175.755 176.870 -0.185 0.000 1.004 818 L CA 0.088 54.847 54.840 -0.135 0.000 0.823 818 L CB 0.977 42.722 42.059 -0.523 0.000 1.236 818 L HN 0.655 nan 8.230 nan 0.000 0.415 819 C N 4.154 123.152 119.300 -0.503 0.000 2.376 819 C HA 0.873 5.333 4.460 -0.001 0.000 0.335 819 C C 0.691 175.299 174.990 -0.638 0.000 1.229 819 C CA -0.437 58.224 59.018 -0.594 0.000 1.867 819 C CB 0.809 27.978 27.740 -0.952 0.000 2.319 819 C HN 0.934 nan 8.230 nan 0.000 0.515 820 A N 3.932 126.549 122.820 -0.339 0.000 3.365 820 A HA 0.482 4.801 4.320 -0.001 0.000 0.258 820 A C -2.610 174.969 177.584 -0.008 0.000 0.964 820 A CA -0.789 51.099 52.037 -0.248 0.000 0.988 820 A CB -0.102 18.565 19.000 -0.555 0.000 1.193 820 A HN 0.706 nan 8.150 nan 0.000 0.508 821 P HA 0.079 nan 4.420 nan 0.000 0.265 821 P C 0.306 177.663 177.300 0.095 0.000 1.187 821 P CA 0.540 63.690 63.100 0.082 0.000 0.766 821 P CB 0.845 32.622 31.700 0.128 0.000 0.820 822 V N 3.602 123.567 119.914 0.085 0.000 2.637 822 V HA -0.005 4.115 4.120 -0.001 0.000 0.296 822 V C 1.578 177.698 176.094 0.044 0.000 1.046 822 V CA 0.369 62.735 62.300 0.109 0.000 1.066 822 V CB 1.056 32.951 31.823 0.120 0.000 0.968 822 V HN 0.526 nan 8.190 nan 0.000 0.483 823 V N 0.415 120.335 119.914 0.010 0.000 3.159 823 V HA 0.462 4.581 4.120 -0.001 0.000 0.333 823 V C -0.510 175.262 176.094 -0.537 0.000 1.424 823 V CA -0.433 61.719 62.300 -0.248 0.000 1.125 823 V CB -0.554 31.088 31.823 -0.302 0.000 1.075 823 V HN 0.733 nan 8.190 nan 0.000 0.482 824 W N 0.135 121.462 121.300 0.045 0.000 2.839 824 W HA 0.600 5.259 4.660 -0.001 0.000 0.334 824 W C 0.164 176.708 176.519 0.042 0.000 1.064 824 W CA -0.535 56.840 57.345 0.050 0.000 1.236 824 W CB 1.462 30.960 29.460 0.063 0.000 1.405 824 W HN 0.034 nan 8.180 nan 0.000 0.478 825 E N 1.739 122.110 120.200 0.284 0.000 2.418 825 E HA -0.013 4.336 4.350 -0.001 0.000 0.261 825 E C 0.162 176.873 176.600 0.185 0.000 1.070 825 E CA 0.341 56.852 56.400 0.186 0.000 0.931 825 E CB 0.229 30.027 29.700 0.163 0.000 0.954 825 E HN 0.641 nan 8.360 nan 0.000 0.439 826 N N 0.896 119.674 118.700 0.130 0.000 2.699 826 N HA -0.248 4.492 4.740 -0.001 0.000 0.256 826 N C -1.522 174.050 175.510 0.105 0.000 0.993 826 N CA 0.717 53.829 53.050 0.104 0.000 0.759 826 N CB -0.608 37.934 38.487 0.093 0.000 0.906 826 N HN 0.210 nan 8.380 nan 0.000 0.541 827 S N -0.543 115.228 115.700 0.118 0.000 2.614 827 S HA 0.561 5.030 4.470 -0.001 0.000 0.288 827 S C 0.466 175.128 174.600 0.102 0.000 1.137 827 S CA -0.141 58.132 58.200 0.121 0.000 0.992 827 S CB 1.399 64.714 63.200 0.192 0.000 1.026 827 S HN 0.311 nan 8.310 nan 0.000 0.486 828 T N 0.808 115.410 114.554 0.081 0.000 3.228 828 T HA 0.497 4.846 4.350 -0.001 0.000 0.278 828 T C -0.203 174.535 174.700 0.064 0.000 1.014 828 T CA -0.265 61.872 62.100 0.063 0.000 0.904 828 T CB -0.315 68.578 68.868 0.042 0.000 1.110 828 T HN 0.709 nan 8.240 nan 0.000 0.541 829 E N 0.466 120.723 120.200 0.094 0.000 2.445 829 E HA 0.784 5.133 4.350 -0.001 0.000 0.279 829 E C -0.821 175.877 176.600 0.165 0.000 1.018 829 E CA -1.219 55.249 56.400 0.114 0.000 0.816 829 E CB 1.122 30.881 29.700 0.098 0.000 1.356 829 E HN 0.406 nan 8.360 nan 0.000 0.462 830 R N -0.802 119.821 120.500 0.205 0.000 2.690 830 R HA 0.455 4.794 4.340 -0.001 0.000 0.269 830 R C -1.390 175.028 176.300 0.197 0.000 1.037 830 R CA -0.934 55.293 56.100 0.213 0.000 0.877 830 R CB 1.084 31.526 30.300 0.237 0.000 1.255 830 R HN 0.627 nan 8.270 nan 0.000 0.467 831 E N 2.015 122.291 120.200 0.126 0.000 2.257 831 E HA 0.275 4.625 4.350 -0.001 0.000 0.278 831 E C -1.251 175.375 176.600 0.044 0.000 1.049 831 E CA -0.652 55.752 56.400 0.006 0.000 0.876 831 E CB 0.796 30.423 29.700 -0.122 0.000 1.035 831 E HN 0.488 nan 8.360 nan 0.000 0.419 832 L N 6.214 127.432 121.223 -0.008 0.000 2.341 832 L HA 0.391 4.730 4.340 -0.001 0.000 0.278 832 L C -1.858 174.996 176.870 -0.026 0.000 1.005 832 L CA -0.778 54.050 54.840 -0.020 0.000 0.818 832 L CB 1.284 43.132 42.059 -0.352 0.000 1.259 832 L HN 0.571 nan 8.230 nan 0.000 0.418 833 Y N 5.723 126.041 120.300 0.030 0.000 2.345 833 Y HA 0.552 5.101 4.550 -0.001 0.000 0.331 833 Y C -1.188 174.503 175.900 -0.349 0.000 0.959 833 Y CA -0.947 57.051 58.100 -0.170 0.000 1.204 833 Y CB 1.025 39.377 38.460 -0.181 0.000 1.135 833 Y HN 0.560 nan 8.280 nan 0.000 0.477 834 L N 9.266 129.806 121.223 -1.139 0.000 2.360 834 L HA 0.330 4.670 4.340 -0.001 0.000 0.276 834 L C -2.131 173.887 176.870 -1.420 0.000 1.121 834 L CA -1.869 52.185 54.840 -1.311 0.000 0.845 834 L CB 0.518 41.998 42.059 -0.965 0.000 1.143 834 L HN 0.500 nan 8.230 nan 0.000 0.452 835 P HA 0.054 nan 4.420 nan 0.000 0.272 835 P C -0.381 176.818 177.300 -0.169 0.000 1.230 835 P CA -0.214 62.503 63.100 -0.638 0.000 0.788 835 P CB 1.027 32.122 31.700 -1.007 0.000 0.949 836 V N 4.059 124.002 119.914 0.047 0.000 2.973 836 V HA 0.267 4.387 4.120 -0.001 0.000 0.314 836 V C 0.907 177.146 176.094 0.241 0.000 1.066 836 V CA -0.483 61.912 62.300 0.158 0.000 1.021 836 V CB 0.053 31.986 31.823 0.183 0.000 1.076 836 V HN 0.530 nan 8.190 nan 0.000 0.462 837 L N 2.336 123.637 121.223 0.131 0.000 4.291 837 L HA -0.153 4.186 4.340 -0.001 0.000 0.413 837 L C 0.152 177.047 176.870 0.041 0.000 1.162 837 L CA 1.011 55.899 54.840 0.080 0.000 0.961 837 L CB -2.067 40.035 42.059 0.071 0.000 2.095 837 L HN 0.923 nan 8.230 nan 0.000 0.838 838 T N -1.521 113.039 114.554 0.009 0.000 2.802 838 T HA 0.484 4.833 4.350 -0.001 0.000 0.311 838 T C -1.302 173.225 174.700 -0.289 0.000 1.405 838 T CA -0.613 61.392 62.100 -0.157 0.000 1.016 838 T CB 1.973 70.698 68.868 -0.238 0.000 1.352 838 T HN 0.125 nan 8.240 nan 0.000 0.498 839 Q N 1.141 120.699 119.800 -0.404 0.000 2.222 839 Q HA 0.477 4.817 4.340 -0.001 0.000 0.252 839 Q C -1.196 174.350 176.000 -0.756 0.000 0.926 839 Q CA -0.257 55.289 55.803 -0.428 0.000 0.899 839 Q CB 1.594 30.161 28.738 -0.285 0.000 1.250 839 Q HN 0.638 nan 8.270 nan 0.000 0.441 840 W N 0.742 121.803 121.300 -0.398 0.000 2.799 840 W HA 0.518 5.177 4.660 -0.001 0.000 0.349 840 W C -0.961 175.257 176.519 -0.502 0.000 1.100 840 W CA -0.534 56.616 57.345 -0.324 0.000 1.174 840 W CB 1.116 30.397 29.460 -0.298 0.000 1.427 840 W HN 0.411 nan 8.180 nan 0.000 0.547 841 Y N 0.917 121.448 120.300 0.385 0.000 2.386 841 Y HA 0.252 4.801 4.550 -0.001 0.000 0.334 841 Y C 0.122 176.170 175.900 0.247 0.000 1.002 841 Y CA -1.705 56.563 58.100 0.280 0.000 1.068 841 Y CB 1.825 40.405 38.460 0.201 0.000 1.203 841 Y HN 0.210 nan 8.280 nan 0.000 0.443 842 K N 3.408 123.960 120.400 0.253 0.000 2.430 842 K HA 0.109 4.428 4.320 -0.001 0.000 0.280 842 K C -1.135 175.069 176.600 -0.660 0.000 1.063 842 K CA 0.426 56.598 56.287 -0.192 0.000 1.071 842 K CB 0.175 32.642 32.500 -0.055 0.000 0.899 842 K HN 0.566 nan 8.250 nan 0.000 0.473 843 F N 2.018 121.594 119.950 -0.623 0.000 2.697 843 F HA 0.738 5.264 4.527 -0.001 0.000 0.386 843 F C 0.525 176.205 175.800 -0.200 0.000 1.154 843 F CA 0.289 58.003 58.000 -0.476 0.000 1.108 843 F CB 1.960 40.970 39.000 0.017 0.000 1.429 843 F HN 0.690 nan 8.300 nan 0.000 0.509 844 G N 0.449 108.930 108.800 -0.532 0.000 2.353 844 G HA2 0.127 4.086 3.960 -0.001 0.000 0.308 844 G HA3 0.127 4.086 3.960 -0.001 0.000 0.308 844 G C -2.758 171.454 174.900 -1.147 0.000 1.418 844 G CA -0.611 43.968 45.100 -0.867 0.000 0.966 844 G HN 0.303 nan 8.290 nan 0.000 0.638 845 P HA -0.060 nan 4.420 nan 0.000 0.221 845 P C 0.881 177.865 177.300 -0.526 0.000 1.141 845 P CA 1.545 64.133 63.100 -0.854 0.000 0.794 845 P CB 0.162 31.251 31.700 -1.019 0.000 0.764 846 D N -1.649 118.441 120.400 -0.517 0.000 2.194 846 D HA -0.030 4.609 4.640 -0.001 0.000 0.204 846 D C 1.511 177.525 176.300 -0.477 0.000 0.964 846 D CA 0.791 54.507 54.000 -0.473 0.000 0.846 846 D CB -0.768 39.692 40.800 -0.566 0.000 0.962 846 D HN 0.205 nan 8.370 nan 0.000 0.490 847 F N 0.659 120.326 119.950 -0.471 0.000 2.661 847 F HA -0.009 4.517 4.527 -0.001 0.000 0.298 847 F C 1.962 177.618 175.800 -0.239 0.000 1.137 847 F CA 0.252 58.018 58.000 -0.390 0.000 1.454 847 F CB 0.024 38.694 39.000 -0.550 0.000 1.103 847 F HN -0.162 nan 8.300 nan 0.000 0.577 848 D N 0.306 120.650 120.400 -0.094 0.000 2.092 848 D HA -0.171 4.469 4.640 -0.001 0.000 0.193 848 D C 1.928 178.305 176.300 0.129 0.000 0.994 848 D CA 1.851 55.925 54.000 0.122 0.000 0.828 848 D CB -0.255 40.648 40.800 0.172 0.000 0.963 848 D HN 0.178 nan 8.370 nan 0.000 0.450 849 T N -2.209 112.362 114.554 0.028 0.000 3.287 849 T HA 0.264 4.613 4.350 -0.001 0.000 0.253 849 T C 0.167 174.859 174.700 -0.013 0.000 0.975 849 T CA -0.577 61.535 62.100 0.021 0.000 0.912 849 T CB -0.418 68.439 68.868 -0.019 0.000 1.071 849 T HN 0.316 nan 8.240 nan 0.000 0.578 850 K N -1.278 119.123 120.400 0.002 0.000 2.597 850 K HA 0.643 4.962 4.320 -0.001 0.000 0.282 850 K C -3.642 173.010 176.600 0.085 0.000 0.975 850 K CA -2.255 54.027 56.287 -0.008 0.000 0.867 850 K CB 0.554 32.980 32.500 -0.124 0.000 1.465 850 K HN -0.222 nan 8.250 nan 0.000 0.417 851 P HA 0.093 nan 4.420 nan 0.000 0.271 851 P C -0.377 177.087 177.300 0.274 0.000 1.218 851 P CA -0.298 62.885 63.100 0.138 0.000 0.780 851 P CB 0.383 32.138 31.700 0.091 0.000 0.901 852 L N 1.531 122.926 121.223 0.287 0.000 2.483 852 L HA 0.074 4.413 4.340 -0.001 0.000 0.275 852 L C 1.260 178.327 176.870 0.328 0.000 1.220 852 L CA 0.258 55.311 54.840 0.354 0.000 0.833 852 L CB -0.238 41.918 42.059 0.162 0.000 1.102 852 L HN 0.391 nan 8.230 nan 0.000 0.490 853 E N 0.476 120.912 120.200 0.394 0.000 2.322 853 E HA 0.307 4.657 4.350 -0.001 0.000 0.257 853 E C 0.251 177.054 176.600 0.339 0.000 1.155 853 E CA -0.558 56.043 56.400 0.335 0.000 0.936 853 E CB 0.569 30.483 29.700 0.355 0.000 1.130 853 E HN 0.721 nan 8.360 nan 0.000 0.465 854 G N -0.096 108.867 108.800 0.271 0.000 2.732 854 G HA2 0.249 4.208 3.960 -0.001 0.000 0.244 854 G HA3 0.249 4.208 3.960 -0.001 0.000 0.244 854 G C -0.165 174.907 174.900 0.287 0.000 1.226 854 G CA -0.033 45.227 45.100 0.267 0.000 0.860 854 G HN 0.513 nan 8.290 nan 0.000 0.583 855 A N 0.082 123.025 122.820 0.205 0.000 2.406 855 A HA 0.567 4.886 4.320 -0.001 0.000 0.243 855 A C 0.407 177.922 177.584 -0.114 0.000 1.082 855 A CA 0.073 52.020 52.037 -0.150 0.000 0.786 855 A CB 0.242 19.165 19.000 -0.128 0.000 1.029 855 A HN 0.599 nan 8.150 nan 0.000 0.495 856 M N 2.365 121.838 119.600 -0.211 0.000 2.114 856 M HA 0.206 4.685 4.480 -0.001 0.000 0.332 856 M C -0.809 175.447 176.300 -0.073 0.000 1.014 856 M CA -0.602 54.649 55.300 -0.081 0.000 0.956 856 M CB 1.222 33.790 32.600 -0.054 0.000 1.551 856 M HN 0.628 nan 8.290 nan 0.000 0.427 857 N N 2.514 121.185 118.700 -0.048 0.000 2.431 857 N HA 0.185 4.924 4.740 -0.001 0.000 0.265 857 N C 0.270 175.769 175.510 -0.019 0.000 1.184 857 N CA 0.106 53.137 53.050 -0.032 0.000 0.943 857 N CB 0.790 39.268 38.487 -0.016 0.000 1.080 857 N HN 0.842 nan 8.380 nan 0.000 0.477 858 G N 0.158 108.981 108.800 0.038 0.000 2.559 858 G HA2 0.371 4.330 3.960 -0.001 0.000 0.235 858 G HA3 0.371 4.330 3.960 -0.001 0.000 0.235 858 G C 1.005 175.881 174.900 -0.039 0.000 1.266 858 G CA 0.089 45.234 45.100 0.074 0.000 0.847 858 G HN 0.795 nan 8.290 nan 0.000 0.583 859 G N 0.993 109.684 108.800 -0.182 0.000 2.176 859 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.232 859 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.232 859 G C 0.117 175.005 174.900 -0.021 0.000 0.986 859 G CA 0.282 45.340 45.100 -0.070 0.000 0.643 859 G HN 0.792 nan 8.290 nan 0.000 0.522 860 D N 0.273 120.571 120.400 -0.170 0.000 2.345 860 D HA 0.512 5.151 4.640 -0.001 0.000 0.247 860 D C 0.613 176.907 176.300 -0.010 0.000 1.108 860 D CA -0.004 53.955 54.000 -0.069 0.000 0.894 860 D CB 0.846 41.577 40.800 -0.115 0.000 1.203 860 D HN 0.362 nan 8.370 nan 0.000 0.430 861 R N 2.611 123.180 120.500 0.115 0.000 2.343 861 R HA 0.498 4.838 4.340 -0.001 0.000 0.320 861 R C -0.842 175.492 176.300 0.056 0.000 0.956 861 R CA -0.565 55.593 56.100 0.097 0.000 0.836 861 R CB 0.565 30.923 30.300 0.097 0.000 1.151 861 R HN 0.418 nan 8.270 nan 0.000 0.450 862 I N 5.230 125.789 120.570 -0.019 0.000 2.382 862 I HA 0.237 4.406 4.170 -0.001 0.000 0.286 862 I C -0.745 175.400 176.117 0.047 0.000 1.002 862 I CA -0.946 60.406 61.300 0.087 0.000 1.135 862 I CB 1.263 39.329 38.000 0.111 0.000 1.288 862 I HN 0.547 nan 8.210 nan 0.000 0.448 863 Y N 5.511 125.871 120.300 0.100 0.000 2.377 863 Y HA 0.138 4.687 4.550 -0.001 0.000 0.330 863 Y C 1.151 177.123 175.900 0.120 0.000 1.108 863 Y CA 0.002 58.161 58.100 0.099 0.000 1.308 863 Y CB 0.391 38.892 38.460 0.069 0.000 1.216 863 Y HN 0.607 nan 8.280 nan 0.000 0.518 864 N N 1.370 120.214 118.700 0.240 0.000 2.780 864 N HA -0.308 4.432 4.740 -0.001 0.000 0.248 864 N C -0.935 174.693 175.510 0.197 0.000 1.102 864 N CA 0.327 53.492 53.050 0.192 0.000 0.697 864 N CB -1.640 36.944 38.487 0.161 0.000 1.028 864 N HN 0.682 nan 8.380 nan 0.000 0.554 865 Y N 2.945 123.304 120.300 0.097 0.000 2.650 865 Y HA 0.122 4.671 4.550 -0.001 0.000 0.331 865 Y C -1.790 174.170 175.900 0.099 0.000 1.165 865 Y CA -1.063 57.095 58.100 0.096 0.000 1.473 865 Y CB 0.610 39.126 38.460 0.093 0.000 1.224 865 Y HN 0.114 nan 8.280 nan 0.000 0.533 866 P HA 0.108 nan 4.420 nan 0.000 0.276 866 P C -1.311 175.832 177.300 -0.262 0.000 1.230 866 P CA -0.017 62.958 63.100 -0.209 0.000 0.776 866 P CB 1.480 33.075 31.700 -0.175 0.000 0.888 867 V N 4.784 124.657 119.914 -0.068 0.000 2.538 867 V HA 0.222 4.341 4.120 -0.001 0.000 0.265 867 V C -2.333 173.770 176.094 0.014 0.000 0.977 867 V CA -1.872 60.426 62.300 -0.004 0.000 0.852 867 V CB 1.236 33.111 31.823 0.087 0.000 1.058 867 V HN 0.436 nan 8.190 nan 0.000 0.462 868 P HA 0.046 nan 4.420 nan 0.000 0.269 868 P C 0.968 178.284 177.300 0.027 0.000 1.217 868 P CA 0.102 63.210 63.100 0.013 0.000 0.783 868 P CB 0.777 32.480 31.700 0.004 0.000 0.898 869 Q N 1.456 121.273 119.800 0.027 0.000 2.197 869 Q HA -0.203 4.136 4.340 -0.001 0.000 0.207 869 Q C 1.358 177.371 176.000 0.022 0.000 0.984 869 Q CA 2.210 58.026 55.803 0.022 0.000 0.869 869 Q CB -0.323 28.430 28.738 0.026 0.000 0.906 869 Q HN 0.562 nan 8.270 nan 0.000 0.426 870 S N -1.066 114.663 115.700 0.048 0.000 2.660 870 S HA 0.085 4.555 4.470 -0.001 0.000 0.223 870 S C -0.015 174.702 174.600 0.196 0.000 0.963 870 S CA -0.049 58.212 58.200 0.103 0.000 0.932 870 S CB 0.174 63.412 63.200 0.063 0.000 0.775 870 S HN 0.277 nan 8.310 nan 0.000 0.531 871 E N 0.192 120.474 120.200 0.137 0.000 2.314 871 E HA 0.571 4.920 4.350 -0.001 0.000 0.272 871 E C -1.500 175.178 176.600 0.130 0.000 0.884 871 E CA -0.502 56.011 56.400 0.189 0.000 0.753 871 E CB 2.295 32.049 29.700 0.091 0.000 1.213 871 E HN 0.128 nan 8.360 nan 0.000 0.432 872 S N 1.498 117.316 115.700 0.197 0.000 2.566 872 S HA 0.558 5.027 4.470 -0.001 0.000 0.298 872 S C -2.642 172.003 174.600 0.074 0.000 1.083 872 S CA -1.759 56.495 58.200 0.091 0.000 0.978 872 S CB 1.206 64.427 63.200 0.036 0.000 1.073 872 S HN 0.187 nan 8.310 nan 0.000 0.491 873 P HA 0.419 nan 4.420 nan 0.000 0.277 873 P C -1.241 175.976 177.300 -0.139 0.000 1.354 873 P CA 0.167 63.285 63.100 0.029 0.000 0.891 873 P CB -0.145 31.693 31.700 0.229 0.000 1.058 874 I N 4.254 124.551 120.570 -0.456 0.000 2.534 874 I HA 0.430 4.599 4.170 -0.001 0.000 0.288 874 I C -0.571 175.266 176.117 -0.466 0.000 1.077 874 I CA -0.669 60.488 61.300 -0.238 0.000 1.051 874 I CB 1.585 39.624 38.000 0.066 0.000 1.234 874 I HN 0.102 nan 8.210 nan 0.000 0.425 875 F N 4.938 124.947 119.950 0.099 0.000 2.551 875 F HA 0.631 5.158 4.527 -0.001 0.000 0.316 875 F C -0.207 175.739 175.800 0.243 0.000 1.089 875 F CA -1.134 56.963 58.000 0.161 0.000 0.915 875 F CB 2.017 41.043 39.000 0.043 0.000 1.186 875 F HN -0.044 nan 8.300 nan 0.000 0.456 876 V N 2.773 122.877 119.914 0.316 0.000 2.398 876 V HA 0.455 4.574 4.120 -0.001 0.000 0.286 876 V C 0.177 176.305 176.094 0.057 0.000 1.026 876 V CA -0.997 61.299 62.300 -0.008 0.000 0.868 876 V CB 1.441 32.848 31.823 -0.694 0.000 0.982 876 V HN 0.722 nan 8.190 nan 0.000 0.443 877 R N 2.815 123.247 120.500 -0.113 0.000 2.679 877 R HA 0.195 4.534 4.340 -0.001 0.000 0.269 877 R C 0.525 176.707 176.300 -0.197 0.000 1.076 877 R CA -0.368 55.470 56.100 -0.437 0.000 1.160 877 R CB 0.640 30.535 30.300 -0.676 0.000 1.054 877 R HN 0.926 nan 8.270 nan 0.000 0.507 878 E N 1.192 121.296 120.200 -0.161 0.000 2.418 878 E HA 0.156 4.505 4.350 -0.001 0.000 0.261 878 E C 0.482 177.035 176.600 -0.077 0.000 1.070 878 E CA 0.158 56.569 56.400 0.019 0.000 0.931 878 E CB 0.500 30.219 29.700 0.031 0.000 0.954 878 E HN 0.803 nan 8.360 nan 0.000 0.439 879 G N 1.098 109.876 108.800 -0.036 0.000 2.176 879 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.253 879 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.253 879 G C 0.285 175.112 174.900 -0.121 0.000 0.979 879 G CA -0.038 45.011 45.100 -0.085 0.000 0.641 879 G HN 1.002 nan 8.290 nan 0.000 0.530 880 A N 0.165 122.925 122.820 -0.100 0.000 2.363 880 A HA 0.750 5.070 4.320 -0.001 0.000 0.270 880 A C 0.191 177.778 177.584 0.005 0.000 1.121 880 A CA -0.016 51.947 52.037 -0.123 0.000 0.800 880 A CB 0.341 19.162 19.000 -0.298 0.000 1.052 880 A HN 0.839 nan 8.150 nan 0.000 0.493 881 I N 2.962 123.524 120.570 -0.014 0.000 2.418 881 I HA 0.330 4.499 4.170 -0.001 0.000 0.287 881 I C -0.847 175.320 176.117 0.083 0.000 1.008 881 I CA -0.208 61.146 61.300 0.089 0.000 1.104 881 I CB 1.581 39.600 38.000 0.032 0.000 1.264 881 I HN 0.438 nan 8.210 nan 0.000 0.438 882 L N 7.704 129.013 121.223 0.143 0.000 2.325 882 L HA 0.486 4.826 4.340 -0.001 0.000 0.281 882 L C -2.385 174.506 176.870 0.034 0.000 1.004 882 L CA -1.944 52.904 54.840 0.013 0.000 0.823 882 L CB 2.050 44.039 42.059 -0.115 0.000 1.236 882 L HN 0.266 nan 8.230 nan 0.000 0.415 883 P HA 0.122 nan 4.420 nan 0.000 0.271 883 P C -0.700 176.532 177.300 -0.113 0.000 1.233 883 P CA 0.041 62.999 63.100 -0.236 0.000 0.764 883 P CB 0.794 32.379 31.700 -0.192 0.000 0.825 884 T N 4.153 118.655 114.554 -0.086 0.000 2.924 884 T HA 0.615 4.964 4.350 -0.001 0.000 0.291 884 T C -0.127 174.494 174.700 -0.131 0.000 1.045 884 T CA -0.860 61.243 62.100 0.005 0.000 1.015 884 T CB 1.526 70.461 68.868 0.112 0.000 1.103 884 T HN 0.236 nan 8.240 nan 0.000 0.496 885 R N 1.339 121.694 120.500 -0.240 0.000 2.518 885 R HA 0.332 4.671 4.340 -0.001 0.000 0.296 885 R C -1.759 174.443 176.300 -0.163 0.000 1.080 885 R CA -0.548 55.490 56.100 -0.105 0.000 0.922 885 R CB 1.196 31.551 30.300 0.093 0.000 1.184 885 R HN 0.664 nan 8.270 nan 0.000 0.445 886 Y N 0.411 120.809 120.300 0.163 0.000 2.387 886 Y HA 0.284 4.833 4.550 -0.001 0.000 0.330 886 Y C 1.436 177.335 175.900 -0.003 0.000 1.133 886 Y CA -0.634 57.536 58.100 0.117 0.000 1.152 886 Y CB 1.350 39.863 38.460 0.089 0.000 1.215 886 Y HN 0.478 nan 8.280 nan 0.000 0.466 887 T N -0.073 114.557 114.554 0.127 0.000 2.918 887 T HA 0.112 4.462 4.350 -0.001 0.000 0.302 887 T C 0.902 175.607 174.700 0.008 0.000 1.045 887 T CA -0.656 61.397 62.100 -0.078 0.000 1.114 887 T CB 0.869 69.689 68.868 -0.081 0.000 0.965 887 T HN 0.616 nan 8.240 nan 0.000 0.540 888 L N 2.625 123.821 121.223 -0.045 0.000 1.976 888 L HA -0.020 4.319 4.340 -0.001 0.000 0.209 888 L C 2.321 179.218 176.870 0.044 0.000 1.071 888 L CA 2.260 57.109 54.840 0.015 0.000 0.746 888 L CB -1.467 40.588 42.059 -0.006 0.000 0.890 888 L HN 0.977 nan 8.230 nan 0.000 0.432 889 N N -0.283 118.421 118.700 0.005 0.000 2.609 889 N HA 0.034 4.773 4.740 -0.001 0.000 0.190 889 N C 1.352 176.869 175.510 0.012 0.000 1.157 889 N CA 1.046 54.098 53.050 0.003 0.000 0.918 889 N CB -0.468 38.013 38.487 -0.011 0.000 0.978 889 N HN 0.490 nan 8.380 nan 0.000 0.448 890 G N -1.170 107.653 108.800 0.039 0.000 2.205 890 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.261 890 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.261 890 G C -0.024 174.902 174.900 0.042 0.000 0.980 890 G CA 0.479 45.609 45.100 0.051 0.000 0.632 890 G HN 0.536 nan 8.290 nan 0.000 0.533 891 E N -0.013 120.202 120.200 0.025 0.000 2.622 891 E HA 0.402 4.752 4.350 -0.001 0.000 0.255 891 E C -0.115 176.509 176.600 0.040 0.000 1.313 891 E CA -0.730 55.682 56.400 0.022 0.000 1.011 891 E CB 0.275 29.982 29.700 0.013 0.000 1.173 891 E HN 0.157 nan 8.360 nan 0.000 0.601 892 N N 1.660 120.381 118.700 0.035 0.000 2.444 892 N HA 0.157 4.896 4.740 -0.001 0.000 0.262 892 N C -1.137 174.424 175.510 0.086 0.000 0.974 892 N CA -0.240 52.839 53.050 0.049 0.000 0.933 892 N CB 1.050 39.531 38.487 -0.009 0.000 1.137 892 N HN 0.344 nan 8.380 nan 0.000 0.498 893 K N -0.424 120.071 120.400 0.158 0.000 2.422 893 K HA 0.440 4.760 4.320 -0.001 0.000 0.251 893 K C -0.161 176.649 176.600 0.350 0.000 0.933 893 K CA -0.739 55.664 56.287 0.194 0.000 0.798 893 K CB 1.412 33.983 32.500 0.118 0.000 1.238 893 K HN 0.344 nan 8.250 nan 0.000 0.428 894 S N 2.821 118.677 115.700 0.260 0.000 2.571 894 S HA -0.080 4.389 4.470 -0.001 0.000 0.298 894 S C 1.311 176.116 174.600 0.341 0.000 1.280 894 S CA -0.298 58.057 58.200 0.258 0.000 1.052 894 S CB -0.012 63.237 63.200 0.082 0.000 0.799 894 S HN 0.670 nan 8.310 nan 0.000 0.501 895 L N 2.259 123.585 121.223 0.173 0.000 2.079 895 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 895 L C 2.492 179.397 176.870 0.059 0.000 1.081 895 L CA 1.947 56.719 54.840 -0.115 0.000 0.752 895 L CB -1.026 40.819 42.059 -0.355 0.000 0.896 895 L HN 0.944 nan 8.230 nan 0.000 0.433 896 N N -1.004 117.749 118.700 0.088 0.000 2.512 896 N HA -0.147 4.592 4.740 -0.001 0.000 0.183 896 N C 1.363 177.050 175.510 0.296 0.000 1.073 896 N CA 1.290 54.449 53.050 0.181 0.000 0.911 896 N CB -0.493 38.053 38.487 0.097 0.000 0.964 896 N HN 0.325 nan 8.380 nan 0.000 0.447 897 T N -4.957 109.747 114.554 0.249 0.000 3.086 897 T HA 0.132 4.482 4.350 -0.001 0.000 0.250 897 T C 0.020 174.858 174.700 0.230 0.000 1.074 897 T CA -0.531 61.694 62.100 0.208 0.000 0.988 897 T CB -0.580 68.374 68.868 0.142 0.000 0.988 897 T HN 0.014 nan 8.240 nan 0.000 0.530 898 Y N 3.785 124.137 120.300 0.087 0.000 2.597 898 Y HA 0.375 4.924 4.550 -0.001 0.000 0.336 898 Y C 1.438 177.382 175.900 0.074 0.000 1.216 898 Y CA 0.019 58.166 58.100 0.079 0.000 1.463 898 Y CB 0.510 39.014 38.460 0.073 0.000 1.303 898 Y HN 0.366 nan 8.280 nan 0.000 0.576 899 T N -2.063 112.576 114.554 0.141 0.000 2.864 899 T HA 0.297 4.646 4.350 -0.001 0.000 0.289 899 T C 0.104 174.842 174.700 0.063 0.000 1.082 899 T CA -0.955 61.202 62.100 0.094 0.000 1.009 899 T CB 1.324 70.212 68.868 0.032 0.000 1.234 899 T HN 0.334 nan 8.240 nan 0.000 0.526 900 D N 0.338 120.715 120.400 -0.037 0.000 2.392 900 D HA 0.048 4.687 4.640 -0.001 0.000 0.228 900 D C 1.432 177.635 176.300 -0.162 0.000 1.003 900 D CA 0.422 54.269 54.000 -0.255 0.000 0.917 900 D CB 0.101 40.526 40.800 -0.626 0.000 0.890 900 D HN 0.460 nan 8.370 nan 0.000 0.532 901 E N 0.427 120.598 120.200 -0.048 0.000 2.170 901 E HA -0.019 4.331 4.350 -0.001 0.000 0.191 901 E C 0.105 176.724 176.600 0.031 0.000 0.981 901 E CA 0.394 56.793 56.400 -0.003 0.000 0.830 901 E CB -0.150 29.541 29.700 -0.013 0.000 0.775 901 E HN 0.370 nan 8.360 nan 0.000 0.470 902 D N 3.688 124.091 120.400 0.006 0.000 2.363 902 D HA 0.076 4.716 4.640 -0.001 0.000 0.263 902 D C -2.230 174.133 176.300 0.106 0.000 1.258 902 D CA -1.124 52.860 54.000 -0.028 0.000 0.907 902 D CB 0.378 41.054 40.800 -0.207 0.000 1.107 902 D HN -0.059 nan 8.370 nan 0.000 0.495 903 P HA -0.092 nan 4.420 nan 0.000 0.268 903 P C -0.265 177.182 177.300 0.244 0.000 1.189 903 P CA -0.109 63.049 63.100 0.096 0.000 0.771 903 P CB 0.479 31.856 31.700 -0.537 0.000 0.822 904 L N 3.857 125.293 121.223 0.354 0.000 2.333 904 L HA 0.529 4.868 4.340 -0.001 0.000 0.280 904 L C -1.301 175.661 176.870 0.153 0.000 1.004 904 L CA -0.346 54.564 54.840 0.116 0.000 0.820 904 L CB 1.814 43.769 42.059 -0.173 0.000 1.247 904 L HN 0.025 nan 8.230 nan 0.000 0.416 905 V N 6.194 126.106 119.914 -0.004 0.000 2.357 905 V HA 0.352 4.471 4.120 -0.001 0.000 0.281 905 V C -0.640 175.439 176.094 -0.026 0.000 1.015 905 V CA -0.301 62.109 62.300 0.185 0.000 0.827 905 V CB 0.969 33.046 31.823 0.424 0.000 1.018 905 V HN 0.543 nan 8.190 nan 0.000 0.432 906 F N 2.742 122.867 119.950 0.291 0.000 2.494 906 F HA 0.279 4.806 4.527 -0.001 0.000 0.351 906 F C 0.948 176.825 175.800 0.130 0.000 1.205 906 F CA -0.089 58.027 58.000 0.193 0.000 1.125 906 F CB 0.337 39.471 39.000 0.223 0.000 1.268 906 F HN 0.501 nan 8.300 nan 0.000 0.593 907 E N 3.512 123.833 120.200 0.203 0.000 2.052 907 E HA 0.300 4.649 4.350 -0.001 0.000 0.283 907 E C -0.798 175.856 176.600 0.091 0.000 1.071 907 E CA -0.473 55.967 56.400 0.065 0.000 0.851 907 E CB 0.717 30.471 29.700 0.090 0.000 1.066 907 E HN 0.343 nan 8.360 nan 0.000 0.396 908 V N 5.829 125.745 119.914 0.002 0.000 2.614 908 V HA 0.147 4.266 4.120 -0.001 0.000 0.291 908 V C 0.106 176.136 176.094 -0.107 0.000 1.049 908 V CA 0.208 62.517 62.300 0.014 0.000 1.038 908 V CB 0.158 31.971 31.823 -0.016 0.000 0.980 908 V HN 0.580 nan 8.190 nan 0.000 0.481 909 F N 4.226 124.115 119.950 -0.102 0.000 2.535 909 F HA 0.548 5.075 4.527 -0.001 0.000 0.367 909 F C -1.785 173.916 175.800 -0.164 0.000 1.096 909 F CA -2.264 55.646 58.000 -0.151 0.000 1.088 909 F CB 0.955 39.859 39.000 -0.159 0.000 1.387 909 F HN 0.316 nan 8.300 nan 0.000 0.494 910 P HA 0.033 nan 4.420 nan 0.000 0.267 910 P C -0.850 176.471 177.300 0.035 0.000 1.201 910 P CA 0.206 63.267 63.100 -0.066 0.000 0.775 910 P CB 0.345 31.926 31.700 -0.198 0.000 0.854 911 L N 1.174 122.410 121.223 0.022 0.000 2.375 911 L HA 0.488 4.827 4.340 -0.001 0.000 0.271 911 L C 1.186 178.064 176.870 0.012 0.000 1.107 911 L CA -0.312 54.531 54.840 0.005 0.000 0.806 911 L CB 0.636 42.688 42.059 -0.012 0.000 1.146 911 L HN 0.432 nan 8.230 nan 0.000 0.447 912 G N 1.102 109.890 108.800 -0.021 0.000 2.415 912 G HA2 0.233 4.193 3.960 -0.001 0.000 0.317 912 G HA3 0.233 4.193 3.960 -0.001 0.000 0.317 912 G C -0.028 174.849 174.900 -0.038 0.000 1.152 912 G CA -0.344 44.735 45.100 -0.036 0.000 0.956 912 G HN 0.759 nan 8.290 nan 0.000 0.458 913 N N 2.488 121.172 118.700 -0.028 0.000 2.688 913 N HA -0.194 4.545 4.740 -0.001 0.000 0.258 913 N C 0.446 175.940 175.510 -0.027 0.000 1.016 913 N CA 1.057 54.092 53.050 -0.025 0.000 0.747 913 N CB -0.690 37.779 38.487 -0.030 0.000 0.895 913 N HN 0.797 nan 8.380 nan 0.000 0.543 914 N N -2.014 116.673 118.700 -0.022 0.000 2.693 914 N HA -0.259 4.480 4.740 -0.001 0.000 0.249 914 N C 0.223 175.711 175.510 -0.037 0.000 1.119 914 N CA 1.636 54.672 53.050 -0.024 0.000 0.717 914 N CB -0.412 38.063 38.487 -0.020 0.000 1.071 914 N HN 0.698 nan 8.380 nan 0.000 0.555 915 R N 0.232 120.703 120.500 -0.047 0.000 2.854 915 R HA 0.843 5.182 4.340 -0.001 0.000 0.271 915 R C -1.312 174.936 176.300 -0.087 0.000 0.994 915 R CA -0.129 55.930 56.100 -0.068 0.000 0.945 915 R CB 1.710 31.967 30.300 -0.071 0.000 1.194 915 R HN 0.097 nan 8.270 nan 0.000 0.476 916 A N 2.148 124.895 122.820 -0.121 0.000 2.589 916 A HA 0.603 4.922 4.320 -0.001 0.000 0.296 916 A C -1.941 175.502 177.584 -0.235 0.000 1.062 916 A CA -0.779 51.163 52.037 -0.158 0.000 0.686 916 A CB 1.583 20.525 19.000 -0.096 0.000 1.282 916 A HN 0.779 nan 8.150 nan 0.000 0.404 917 D N -0.769 119.414 120.400 -0.363 0.000 2.602 917 D HA 0.703 5.342 4.640 -0.001 0.000 0.236 917 D C -0.223 175.863 176.300 -0.356 0.000 1.209 917 D CA 0.043 53.785 54.000 -0.429 0.000 0.831 917 D CB 2.129 42.540 40.800 -0.648 0.000 1.478 917 D HN 0.977 nan 8.370 nan 0.000 0.438 918 G N -0.142 108.531 108.800 -0.211 0.000 2.742 918 G HA2 0.546 4.505 3.960 -0.001 0.000 0.296 918 G HA3 0.546 4.505 3.960 -0.001 0.000 0.296 918 G C -1.587 173.297 174.900 -0.026 0.000 1.436 918 G CA -0.733 44.325 45.100 -0.070 0.000 0.928 918 G HN 0.390 nan 8.290 nan 0.000 0.520 919 M N 0.904 120.542 119.600 0.063 0.000 2.602 919 M HA 0.717 5.196 4.480 -0.001 0.000 0.312 919 M C -1.431 174.946 176.300 0.129 0.000 1.181 919 M CA -0.700 54.654 55.300 0.088 0.000 0.910 919 M CB 2.300 34.980 32.600 0.134 0.000 1.723 919 M HN 0.708 nan 8.290 nan 0.000 0.459 920 C N 4.094 123.480 119.300 0.142 0.000 2.705 920 C HA 0.433 4.892 4.460 -0.001 0.000 0.369 920 C C -1.433 173.622 174.990 0.107 0.000 1.069 920 C CA -0.631 58.487 59.018 0.166 0.000 1.260 920 C CB 0.672 28.597 27.740 0.308 0.000 1.764 920 C HN 0.900 nan 8.230 nan 0.000 0.469 921 Y N 5.944 126.190 120.300 -0.091 0.000 2.319 921 Y HA 0.712 5.261 4.550 -0.001 0.000 0.328 921 Y C -0.730 175.118 175.900 -0.086 0.000 1.133 921 Y CA 0.080 58.029 58.100 -0.251 0.000 1.265 921 Y CB 0.572 38.733 38.460 -0.498 0.000 1.218 921 Y HN 0.701 nan 8.280 nan 0.000 0.508 922 L N 6.405 127.297 121.223 -0.552 0.000 2.370 922 L HA 0.539 4.878 4.340 -0.001 0.000 0.266 922 L C -1.197 175.266 176.870 -0.677 0.000 1.002 922 L CA -0.846 53.817 54.840 -0.296 0.000 0.818 922 L CB 2.144 44.270 42.059 0.112 0.000 1.325 922 L HN 0.847 nan 8.230 nan 0.000 0.418 923 D N -0.455 119.551 120.400 -0.657 0.000 2.738 923 D HA 0.052 4.691 4.640 -0.001 0.000 0.308 923 D C -0.338 175.395 176.300 -0.944 0.000 1.311 923 D CA -0.480 52.987 54.000 -0.888 0.000 0.799 923 D CB 0.586 41.185 40.800 -0.335 0.000 1.332 923 D HN 0.479 nan 8.370 nan 0.000 0.441 924 D N -1.053 118.976 120.400 -0.619 0.000 2.371 924 D HA 0.184 4.823 4.640 -0.001 0.000 0.221 924 D C 1.630 177.913 176.300 -0.028 0.000 0.986 924 D CA 1.503 55.353 54.000 -0.250 0.000 0.899 924 D CB -0.187 40.623 40.800 0.017 0.000 0.902 924 D HN 1.043 nan 8.370 nan 0.000 0.530 925 G N -1.144 107.662 108.800 0.010 0.000 2.278 925 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.210 925 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.210 925 G C 1.134 176.061 174.900 0.045 0.000 1.000 925 G CA 0.167 45.289 45.100 0.038 0.000 0.635 925 G HN 1.367 nan 8.290 nan 0.000 0.495 926 G N -1.449 107.414 108.800 0.105 0.000 2.183 926 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.168 926 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.168 926 G C 1.196 176.265 174.900 0.281 0.000 1.008 926 G CA 0.958 46.119 45.100 0.103 0.000 0.677 926 G HN 1.361 nan 8.290 nan 0.000 0.498 927 V N 1.156 121.267 119.914 0.328 0.000 2.453 927 V HA 0.015 4.134 4.120 -0.001 0.000 0.252 927 V C 1.837 177.983 176.094 0.087 0.000 1.068 927 V CA 2.900 65.315 62.300 0.192 0.000 1.070 927 V CB -0.493 31.361 31.823 0.052 0.000 0.664 927 V HN 1.216 nan 8.190 nan 0.000 0.461 928 T N -4.403 110.201 114.554 0.082 0.000 2.865 928 T HA 0.364 4.714 4.350 -0.001 0.000 0.294 928 T C 0.290 175.018 174.700 0.047 0.000 1.119 928 T CA 0.186 62.314 62.100 0.048 0.000 1.007 928 T CB 1.833 70.719 68.868 0.031 0.000 1.225 928 T HN 0.153 nan 8.240 nan 0.000 0.515 929 T N -1.698 112.873 114.554 0.027 0.000 3.273 929 T HA 0.253 4.602 4.350 -0.001 0.000 0.254 929 T C 0.741 175.462 174.700 0.034 0.000 1.002 929 T CA -0.382 61.731 62.100 0.022 0.000 0.913 929 T CB -1.137 67.730 68.868 -0.000 0.000 1.056 929 T HN 0.667 nan 8.240 nan 0.000 0.576 930 N N 0.788 119.516 118.700 0.046 0.000 2.515 930 N HA 0.178 4.917 4.740 -0.001 0.000 0.185 930 N C 1.978 177.544 175.510 0.092 0.000 1.109 930 N CA 0.499 53.581 53.050 0.054 0.000 0.903 930 N CB -0.009 38.506 38.487 0.047 0.000 0.969 930 N HN 0.558 nan 8.380 nan 0.000 0.450 931 A N 1.894 124.788 122.820 0.124 0.000 1.861 931 A HA -0.118 4.201 4.320 -0.001 0.000 0.212 931 A C 2.112 179.843 177.584 0.246 0.000 1.199 931 A CA 0.879 53.066 52.037 0.250 0.000 0.613 931 A CB -0.214 18.924 19.000 0.229 0.000 0.846 931 A HN 0.335 nan 8.150 nan 0.000 0.446 932 E N 0.117 120.380 120.200 0.106 0.000 2.208 932 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 932 E C 0.464 177.095 176.600 0.051 0.000 0.988 932 E CA 1.360 57.791 56.400 0.051 0.000 0.828 932 E CB -0.414 29.280 29.700 -0.011 0.000 0.763 932 E HN 0.523 nan 8.360 nan 0.000 0.478 933 D N 0.834 121.263 120.400 0.050 0.000 2.277 933 D HA 0.024 4.664 4.640 -0.001 0.000 0.209 933 D C 0.797 177.117 176.300 0.034 0.000 0.970 933 D CA 0.707 54.723 54.000 0.027 0.000 0.874 933 D CB -0.005 40.803 40.800 0.014 0.000 0.982 933 D HN 0.326 nan 8.370 nan 0.000 0.504 934 N N -1.237 117.494 118.700 0.052 0.000 2.118 934 N HA 0.249 4.989 4.740 -0.001 0.000 0.226 934 N C 0.685 176.202 175.510 0.011 0.000 1.305 934 N CA 0.328 53.394 53.050 0.026 0.000 0.890 934 N CB 2.179 40.674 38.487 0.014 0.000 1.118 934 N HN 0.048 nan 8.380 nan 0.000 0.511 935 G N 1.550 110.389 108.800 0.064 0.000 2.147 935 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.244 935 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.244 935 G C -0.040 174.688 174.900 -0.288 0.000 1.005 935 G CA -0.055 45.011 45.100 -0.055 0.000 0.713 935 G HN 0.067 nan 8.290 nan 0.000 0.515 936 K N 0.598 120.975 120.400 -0.039 0.000 2.243 936 K HA 0.538 4.857 4.320 -0.001 0.000 0.232 936 K C 0.236 176.858 176.600 0.037 0.000 1.237 936 K CA -0.043 56.217 56.287 -0.045 0.000 1.161 936 K CB -0.854 31.667 32.500 0.035 0.000 1.505 936 K HN 0.600 nan 8.250 nan 0.000 0.271 937 F N -2.956 116.937 119.950 -0.094 0.000 2.715 937 F HA 0.690 5.216 4.527 -0.001 0.000 0.318 937 F C -0.354 175.294 175.800 -0.254 0.000 1.141 937 F CA -1.247 56.607 58.000 -0.245 0.000 0.950 937 F CB 1.148 39.926 39.000 -0.369 0.000 1.374 937 F HN -0.181 nan 8.300 nan 0.000 0.477 938 S N 0.202 115.829 115.700 -0.122 0.000 2.568 938 S HA 0.799 5.268 4.470 -0.001 0.000 0.293 938 S C -1.425 173.134 174.600 -0.069 0.000 1.089 938 S CA -0.753 57.387 58.200 -0.099 0.000 0.945 938 S CB 2.147 65.247 63.200 -0.167 0.000 1.077 938 S HN 0.585 nan 8.310 nan 0.000 0.485 939 V N 2.617 122.557 119.914 0.043 0.000 2.439 939 V HA 0.308 4.427 4.120 -0.001 0.000 0.277 939 V C -0.673 175.471 176.094 0.084 0.000 1.008 939 V CA -0.654 61.663 62.300 0.028 0.000 0.846 939 V CB 1.370 33.237 31.823 0.074 0.000 1.031 939 V HN 0.692 nan 8.190 nan 0.000 0.441 940 V N 4.935 124.895 119.914 0.076 0.000 2.432 940 V HA 0.342 4.461 4.120 -0.001 0.000 0.271 940 V C 0.394 176.458 176.094 -0.050 0.000 1.046 940 V CA -0.385 61.930 62.300 0.025 0.000 0.945 940 V CB 1.249 33.078 31.823 0.011 0.000 0.992 940 V HN 0.747 nan 8.190 nan 0.000 0.471 941 K N 2.937 123.282 120.400 -0.091 0.000 2.106 941 K HA 0.809 5.128 4.320 -0.001 0.000 0.246 941 K C -1.052 175.327 176.600 -0.369 0.000 0.987 941 K CA -0.504 55.690 56.287 -0.155 0.000 0.904 941 K CB 2.045 34.498 32.500 -0.078 0.000 1.071 941 K HN 0.443 nan 8.250 nan 0.000 0.453 942 V N 0.972 120.632 119.914 -0.423 0.000 2.891 942 V HA 0.746 4.865 4.120 -0.001 0.000 0.304 942 V C -1.772 174.075 176.094 -0.412 0.000 1.171 942 V CA -0.345 61.556 62.300 -0.664 0.000 0.943 942 V CB 1.765 32.873 31.823 -1.192 0.000 1.037 942 V HN 0.911 nan 8.190 nan 0.000 0.427 943 A N 4.639 127.252 122.820 -0.345 0.000 2.437 943 A HA 1.113 5.432 4.320 -0.001 0.000 0.292 943 A C -0.429 177.048 177.584 -0.178 0.000 1.173 943 A CA -0.259 51.644 52.037 -0.223 0.000 0.785 943 A CB 2.092 20.997 19.000 -0.159 0.000 1.351 943 A HN 2.396 nan 8.150 nan 0.000 0.431 944 A N 0.252 122.996 122.820 -0.128 0.000 2.513 944 A HA 0.696 5.015 4.320 -0.001 0.000 0.296 944 A C -1.162 176.381 177.584 -0.068 0.000 1.052 944 A CA -0.304 51.682 52.037 -0.085 0.000 0.714 944 A CB 1.138 20.091 19.000 -0.078 0.000 1.279 944 A HN 0.737 nan 8.150 nan 0.000 0.397 945 E N 0.610 120.782 120.200 -0.047 0.000 2.308 945 E HA 0.427 4.776 4.350 -0.001 0.000 0.275 945 E C -1.309 175.274 176.600 -0.029 0.000 0.890 945 E CA -0.712 55.664 56.400 -0.039 0.000 0.754 945 E CB 2.320 31.998 29.700 -0.036 0.000 1.207 945 E HN 0.596 nan 8.360 nan 0.000 0.426 946 Q N 1.821 121.606 119.800 -0.026 0.000 2.257 946 Q HA 0.273 4.612 4.340 -0.001 0.000 0.255 946 Q C -1.543 174.446 176.000 -0.017 0.000 0.920 946 Q CA -0.136 55.655 55.803 -0.020 0.000 0.927 946 Q CB 0.997 29.724 28.738 -0.019 0.000 1.229 946 Q HN 0.280 nan 8.270 nan 0.000 0.433 947 D N 3.362 123.753 120.400 -0.015 0.000 2.363 947 D HA 0.414 5.053 4.640 -0.001 0.000 0.258 947 D C 0.475 176.768 176.300 -0.011 0.000 1.259 947 D CA 0.776 54.768 54.000 -0.013 0.000 0.921 947 D CB 0.207 40.999 40.800 -0.012 0.000 1.201 947 D HN 0.673 nan 8.370 nan 0.000 0.524 948 G N 3.013 111.807 108.800 -0.010 0.000 2.620 948 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.315 948 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.315 948 G C 1.117 176.010 174.900 -0.011 0.000 1.179 948 G CA 0.490 45.584 45.100 -0.009 0.000 0.971 948 G HN 0.791 nan 8.290 nan 0.000 0.544 949 G N -0.407 108.386 108.800 -0.012 0.000 2.777 949 G HA2 0.407 4.367 3.960 -0.001 0.000 0.211 949 G HA3 0.407 4.367 3.960 -0.001 0.000 0.211 949 G C 0.638 175.528 174.900 -0.017 0.000 1.149 949 G CA 1.636 46.727 45.100 -0.014 0.000 0.785 949 G HN 1.034 nan 8.290 nan 0.000 0.536 950 T N 0.758 115.303 114.554 -0.015 0.000 2.771 950 T HA 0.434 4.783 4.350 -0.001 0.000 0.281 950 T C -0.822 173.870 174.700 -0.014 0.000 0.982 950 T CA -0.384 61.708 62.100 -0.014 0.000 0.978 950 T CB 2.444 71.307 68.868 -0.009 0.000 0.930 950 T HN 0.163 nan 8.240 nan 0.000 0.447 951 E N 2.481 122.672 120.200 -0.015 0.000 2.134 951 E HA 0.318 4.667 4.350 -0.001 0.000 0.278 951 E C -0.803 175.795 176.600 -0.004 0.000 0.959 951 E CA -0.593 55.798 56.400 -0.015 0.000 0.783 951 E CB 0.716 30.403 29.700 -0.021 0.000 1.095 951 E HN 0.494 nan 8.360 nan 0.000 0.399 952 T N 5.742 120.293 114.554 -0.004 0.000 2.853 952 T HA 0.366 4.716 4.350 -0.001 0.000 0.317 952 T C 0.302 175.003 174.700 0.003 0.000 1.059 952 T CA -0.472 61.632 62.100 0.008 0.000 0.954 952 T CB -0.046 68.826 68.868 0.006 0.000 0.994 952 T HN 0.380 nan 8.240 nan 0.000 0.479 953 I N 3.659 124.247 120.570 0.030 0.000 2.337 953 I HA 0.228 4.398 4.170 -0.001 0.000 0.291 953 I C 0.370 176.530 176.117 0.072 0.000 1.046 953 I CA -0.350 60.970 61.300 0.034 0.000 1.324 953 I CB 0.474 38.543 38.000 0.114 0.000 1.409 953 I HN 0.460 nan 8.210 nan 0.000 0.494 954 T N 6.315 120.849 114.554 -0.034 0.000 2.797 954 T HA 0.502 4.851 4.350 -0.001 0.000 0.279 954 T C -0.457 174.171 174.700 -0.120 0.000 0.991 954 T CA -0.374 61.727 62.100 0.002 0.000 0.979 954 T CB 0.857 69.704 68.868 -0.035 0.000 0.943 954 T HN 0.130 nan 8.240 nan 0.000 0.444 955 F N 2.840 122.719 119.950 -0.119 0.000 2.404 955 F HA 0.525 5.051 4.527 -0.001 0.000 0.354 955 F C 1.194 176.908 175.800 -0.144 0.000 1.122 955 F CA -0.619 57.272 58.000 -0.181 0.000 1.080 955 F CB 1.548 40.416 39.000 -0.220 0.000 1.131 955 F HN 0.587 nan 8.300 nan 0.000 0.471 956 T N -0.005 114.526 114.554 -0.038 0.000 2.887 956 T HA 0.652 5.001 4.350 -0.001 0.000 0.292 956 T C -0.936 173.749 174.700 -0.025 0.000 1.087 956 T CA -1.093 60.993 62.100 -0.024 0.000 1.009 956 T CB 2.026 70.876 68.868 -0.030 0.000 1.203 956 T HN 0.527 nan 8.240 nan 0.000 0.518 957 N N -0.736 117.964 118.700 -0.000 0.000 2.292 957 N HA 0.489 5.228 4.740 -0.001 0.000 0.303 957 N C -0.465 175.082 175.510 0.062 0.000 1.140 957 N CA -0.845 52.231 53.050 0.044 0.000 0.788 957 N CB 1.589 40.125 38.487 0.082 0.000 1.361 957 N HN 0.452 nan 8.380 nan 0.000 0.489 958 D N -0.592 119.863 120.400 0.091 0.000 2.277 958 D HA 0.130 4.769 4.640 -0.001 0.000 0.209 958 D C 0.039 176.392 176.300 0.089 0.000 0.970 958 D CA 0.751 54.814 54.000 0.105 0.000 0.874 958 D CB -0.077 40.821 40.800 0.162 0.000 0.982 958 D HN 0.738 nan 8.370 nan 0.000 0.504 959 C N -1.543 117.805 119.300 0.080 0.000 3.241 959 C HA 0.582 5.042 4.460 -0.001 0.000 0.348 959 C C -1.260 173.783 174.990 0.088 0.000 1.180 959 C CA -1.309 57.728 59.018 0.032 0.000 1.273 959 C CB 0.165 27.852 27.740 -0.089 0.000 1.620 959 C HN 0.175 nan 8.230 nan 0.000 0.510 960 Y N 0.962 121.225 120.300 -0.062 0.000 2.787 960 Y HA 0.519 5.068 4.550 -0.001 0.000 0.352 960 Y C 0.887 176.752 175.900 -0.057 0.000 1.027 960 Y CA -0.045 58.030 58.100 -0.043 0.000 1.219 960 Y CB 0.770 39.218 38.460 -0.020 0.000 1.110 960 Y HN 0.936 nan 8.280 nan 0.000 0.614 961 E N 2.170 122.217 120.200 -0.256 0.000 2.431 961 E HA 0.055 4.404 4.350 -0.001 0.000 0.200 961 E C -1.081 175.398 176.600 -0.202 0.000 0.995 961 E CA 0.133 56.407 56.400 -0.210 0.000 0.915 961 E CB 0.444 29.985 29.700 -0.264 0.000 0.930 961 E HN 0.478 nan 8.360 nan 0.000 0.496 962 Y N 0.293 120.326 120.300 -0.446 0.000 2.331 962 Y HA 0.405 4.954 4.550 -0.001 0.000 0.338 962 Y C -0.899 174.653 175.900 -0.581 0.000 0.976 962 Y CA -1.197 56.682 58.100 -0.368 0.000 1.137 962 Y CB 1.081 39.392 38.460 -0.248 0.000 1.172 962 Y HN -0.334 nan 8.280 nan 0.000 0.478 963 V N 9.147 128.503 119.914 -0.931 0.000 2.299 963 V HA 0.029 4.148 4.120 -0.001 0.000 0.255 963 V C -0.161 175.601 176.094 -0.554 0.000 1.100 963 V CA -0.497 61.476 62.300 -0.544 0.000 0.938 963 V CB -1.029 30.661 31.823 -0.221 0.000 1.139 963 V HN 0.696 nan 8.190 nan 0.000 0.490 964 F N 4.057 123.796 119.950 -0.351 0.000 2.539 964 F HA 0.251 4.777 4.527 -0.001 0.000 0.393 964 F C 1.430 177.247 175.800 0.029 0.000 1.032 964 F CA 0.345 58.308 58.000 -0.062 0.000 1.120 964 F CB 0.728 39.868 39.000 0.233 0.000 1.014 964 F HN 0.461 nan 8.300 nan 0.000 0.546 965 G N 4.295 112.798 108.800 -0.495 0.000 3.088 965 G HA2 0.364 4.323 3.960 -0.001 0.000 0.212 965 G HA3 0.364 4.323 3.960 -0.001 0.000 0.212 965 G C 0.421 175.193 174.900 -0.212 0.000 1.173 965 G CA 0.342 45.278 45.100 -0.274 0.000 0.779 965 G HN 0.992 nan 8.290 nan 0.000 0.540 966 G N -0.254 108.381 108.800 -0.276 0.000 2.642 966 G HA2 0.661 4.621 3.960 -0.001 0.000 0.293 966 G HA3 0.661 4.621 3.960 -0.001 0.000 0.293 966 G C -3.040 172.028 174.900 0.280 0.000 1.341 966 G CA -1.395 43.694 45.100 -0.017 0.000 0.916 966 G HN -0.065 nan 8.290 nan 0.000 0.474 967 P HA 0.278 nan 4.420 nan 0.000 0.267 967 P C -0.944 176.513 177.300 0.261 0.000 1.200 967 P CA 0.069 63.218 63.100 0.081 0.000 0.772 967 P CB 0.637 32.295 31.700 -0.070 0.000 0.855 968 F N 0.466 120.467 119.950 0.084 0.000 2.631 968 F HA 0.761 5.287 4.527 -0.001 0.000 0.328 968 F C -1.296 174.528 175.800 0.040 0.000 1.067 968 F CA -1.439 56.700 58.000 0.232 0.000 0.969 968 F CB 1.222 40.380 39.000 0.263 0.000 1.332 968 F HN 0.189 nan 8.300 nan 0.000 0.490 969 Y N 0.310 120.955 120.300 0.575 0.000 2.512 969 Y HA 0.645 5.194 4.550 -0.001 0.000 0.348 969 Y C -0.813 175.426 175.900 0.565 0.000 0.990 969 Y CA -1.521 56.853 58.100 0.456 0.000 1.033 969 Y CB 2.335 41.134 38.460 0.566 0.000 1.259 969 Y HN 0.508 nan 8.280 nan 0.000 0.461 970 V N 2.969 123.212 119.914 0.549 0.000 2.427 970 V HA 0.470 4.590 4.120 -0.001 0.000 0.286 970 V C -0.375 175.822 176.094 0.172 0.000 1.034 970 V CA -0.859 61.693 62.300 0.420 0.000 0.893 970 V CB 1.451 33.488 31.823 0.357 0.000 0.982 970 V HN 0.691 nan 8.190 nan 0.000 0.452 971 R N 3.895 124.383 120.500 -0.020 0.000 2.310 971 R HA 0.589 4.928 4.340 -0.001 0.000 0.316 971 R C -1.401 174.744 176.300 -0.259 0.000 1.004 971 R CA -0.375 55.500 56.100 -0.375 0.000 0.900 971 R CB 1.381 31.246 30.300 -0.725 0.000 1.152 971 R HN 0.583 nan 8.270 nan 0.000 0.513 972 V N 4.965 124.761 119.914 -0.197 0.000 2.546 972 V HA 0.382 4.501 4.120 -0.001 0.000 0.284 972 V C 0.420 176.393 176.094 -0.201 0.000 1.050 972 V CA -0.540 61.668 62.300 -0.154 0.000 0.981 972 V CB 1.301 33.073 31.823 -0.085 0.000 0.990 972 V HN 0.607 nan 8.190 nan 0.000 0.474 973 R N 3.012 123.384 120.500 -0.213 0.000 2.255 973 R HA 0.525 4.864 4.340 -0.001 0.000 0.326 973 R C 1.068 177.279 176.300 -0.147 0.000 0.986 973 R CA 0.425 56.393 56.100 -0.221 0.000 0.847 973 R CB 0.965 31.058 30.300 -0.345 0.000 1.111 973 R HN 1.117 nan 8.270 nan 0.000 0.452 974 G N 1.572 110.308 108.800 -0.106 0.000 2.217 974 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.246 974 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.246 974 G C 0.014 174.881 174.900 -0.055 0.000 0.990 974 G CA 0.126 45.185 45.100 -0.068 0.000 0.627 974 G HN 0.797 nan 8.290 nan 0.000 0.522 975 A N -0.034 122.746 122.820 -0.067 0.000 2.304 975 A HA 0.832 5.152 4.320 -0.001 0.000 0.323 975 A C 0.503 178.051 177.584 -0.061 0.000 1.195 975 A CA -0.037 51.966 52.037 -0.057 0.000 0.826 975 A CB 1.288 20.253 19.000 -0.059 0.000 1.184 975 A HN 0.178 nan 8.150 nan 0.000 0.496 976 Q N 0.579 120.349 119.800 -0.050 0.000 3.080 976 Q HA 0.325 4.664 4.340 -0.001 0.000 0.219 976 Q C 0.604 176.579 176.000 -0.041 0.000 1.169 976 Q CA -0.069 55.706 55.803 -0.046 0.000 0.315 976 Q CB -0.262 28.456 28.738 -0.033 0.000 5.814 976 Q HN 0.704 nan 8.270 nan 0.000 0.319 977 S N 2.389 118.079 115.700 -0.016 0.000 2.505 977 S HA 0.335 4.804 4.470 -0.001 0.000 0.276 977 S C -2.093 172.478 174.600 -0.048 0.000 1.274 977 S CA -1.053 57.152 58.200 0.007 0.000 1.053 977 S CB 0.179 63.417 63.200 0.064 0.000 0.919 977 S HN 0.188 nan 8.310 nan 0.000 0.490 978 P HA 0.483 nan 4.420 nan 0.000 0.284 978 P C -0.052 177.180 177.300 -0.113 0.000 1.287 978 P CA -0.710 62.285 63.100 -0.174 0.000 0.824 978 P CB 1.244 32.736 31.700 -0.347 0.000 1.180 979 S N -1.111 114.539 115.700 -0.084 0.000 2.470 979 S HA 0.095 4.564 4.470 -0.001 0.000 0.222 979 S C 0.683 175.261 174.600 -0.036 0.000 1.024 979 S CA 0.118 58.296 58.200 -0.036 0.000 0.931 979 S CB -0.277 62.910 63.200 -0.022 0.000 0.791 979 S HN 0.669 nan 8.310 nan 0.000 0.513 980 N N -0.194 118.458 118.700 -0.079 0.000 3.049 980 N HA 0.276 5.015 4.740 -0.001 0.000 0.244 980 N C -2.325 173.129 175.510 -0.094 0.000 1.203 980 N CA -0.355 52.661 53.050 -0.058 0.000 0.945 980 N CB 0.979 39.464 38.487 -0.004 0.000 1.616 980 N HN -0.025 nan 8.380 nan 0.000 0.505 981 I N 2.353 122.880 120.570 -0.071 0.000 2.418 981 I HA 0.220 4.389 4.170 -0.001 0.000 0.287 981 I C -0.705 175.460 176.117 0.079 0.000 1.008 981 I CA -0.609 60.671 61.300 -0.033 0.000 1.104 981 I CB 1.504 39.452 38.000 -0.087 0.000 1.264 981 I HN 0.524 nan 8.210 nan 0.000 0.438 982 H N 5.826 124.887 119.070 -0.015 0.000 2.473 982 H HA 0.622 5.178 4.556 -0.001 0.000 0.327 982 H C -1.247 174.083 175.328 0.004 0.000 1.105 982 H CA -0.372 55.676 56.048 -0.000 0.000 1.280 982 H CB 1.439 31.200 29.762 -0.002 0.000 1.450 982 H HN 0.237 nan 8.280 nan 0.000 0.492 983 V N 4.309 123.955 119.914 -0.447 0.000 2.407 983 V HA 0.283 4.402 4.120 -0.001 0.000 0.291 983 V C -0.053 175.749 176.094 -0.487 0.000 1.018 983 V CA -0.786 61.309 62.300 -0.341 0.000 0.842 983 V CB 1.279 32.990 31.823 -0.186 0.000 0.996 983 V HN 0.826 nan 8.190 nan 0.000 0.426 984 S N 3.588 119.107 115.700 -0.301 0.000 2.489 984 S HA 0.827 5.296 4.470 -0.001 0.000 0.291 984 S C -0.373 174.170 174.600 -0.095 0.000 1.151 984 S CA -0.156 57.938 58.200 -0.177 0.000 1.082 984 S CB 1.417 64.590 63.200 -0.045 0.000 1.019 984 S HN 0.850 nan 8.310 nan 0.000 0.492 985 S N 1.956 117.613 115.700 -0.072 0.000 2.615 985 S HA 0.562 5.031 4.470 -0.001 0.000 0.269 985 S C 1.021 175.598 174.600 -0.039 0.000 1.161 985 S CA -0.086 58.081 58.200 -0.055 0.000 0.817 985 S CB 0.777 63.934 63.200 -0.071 0.000 1.131 985 S HN 0.911 nan 8.310 nan 0.000 0.467 986 G N 0.931 109.709 108.800 -0.037 0.000 2.462 986 G HA2 0.108 4.067 3.960 -0.001 0.000 0.220 986 G HA3 0.108 4.067 3.960 -0.001 0.000 0.220 986 G C 0.736 175.621 174.900 -0.025 0.000 1.121 986 G CA 1.003 46.087 45.100 -0.027 0.000 0.758 986 G HN 1.079 nan 8.290 nan 0.000 0.559 987 A N -0.394 122.407 122.820 -0.033 0.000 2.631 987 A HA 0.678 4.997 4.320 -0.001 0.000 0.294 987 A C 0.719 178.280 177.584 -0.037 0.000 1.156 987 A CA 0.445 52.465 52.037 -0.029 0.000 0.963 987 A CB 0.343 19.326 19.000 -0.027 0.000 1.202 987 A HN 0.635 nan 8.150 nan 0.000 0.523 988 G N -1.476 107.297 108.800 -0.045 0.000 2.524 988 G HA2 0.496 4.455 3.960 -0.001 0.000 0.310 988 G HA3 0.496 4.455 3.960 -0.001 0.000 0.310 988 G C -0.386 174.479 174.900 -0.058 0.000 1.279 988 G CA -0.111 44.950 45.100 -0.064 0.000 0.974 988 G HN 0.386 nan 8.290 nan 0.000 0.484 989 S N 0.314 115.981 115.700 -0.055 0.000 2.589 989 S HA 0.182 4.652 4.470 -0.001 0.000 0.210 989 S C -0.523 174.084 174.600 0.011 0.000 0.803 989 S CA -0.405 57.788 58.200 -0.012 0.000 1.061 989 S CB -0.187 63.047 63.200 0.056 0.000 1.637 989 S HN 0.672 nan 8.310 nan 0.000 0.462 990 Q N 1.504 121.249 119.800 -0.093 0.000 2.316 990 Q HA 0.370 4.710 4.340 -0.001 0.000 0.264 990 Q C -1.282 174.706 176.000 -0.020 0.000 0.987 990 Q CA -0.500 55.283 55.803 -0.032 0.000 0.852 990 Q CB 1.055 29.765 28.738 -0.047 0.000 1.287 990 Q HN 0.343 nan 8.270 nan 0.000 0.448 991 D N 2.869 123.322 120.400 0.088 0.000 2.313 991 D HA 0.284 4.923 4.640 -0.001 0.000 0.247 991 D C -0.090 176.267 176.300 0.096 0.000 1.094 991 D CA 0.222 54.299 54.000 0.129 0.000 0.925 991 D CB 0.834 41.721 40.800 0.145 0.000 1.188 991 D HN 0.482 nan 8.370 nan 0.000 0.430 992 M N 1.066 120.746 119.600 0.134 0.000 2.367 992 M HA 0.304 4.784 4.480 -0.001 0.000 0.339 992 M C 0.145 176.623 176.300 0.296 0.000 1.177 992 M CA -0.673 54.748 55.300 0.202 0.000 1.068 992 M CB 1.449 34.211 32.600 0.269 0.000 1.602 992 M HN 0.149 nan 8.290 nan 0.000 0.457 993 K N 0.724 121.255 120.400 0.219 0.000 2.267 993 K HA 0.606 4.925 4.320 -0.001 0.000 0.246 993 K C -0.570 175.910 176.600 -0.200 0.000 0.954 993 K CA -1.042 55.323 56.287 0.130 0.000 0.824 993 K CB 2.106 34.628 32.500 0.037 0.000 1.167 993 K HN 0.477 nan 8.250 nan 0.000 0.431 994 V N 2.141 121.788 119.914 -0.445 0.000 2.509 994 V HA -0.029 4.090 4.120 -0.001 0.000 0.297 994 V C 0.266 176.074 176.094 -0.476 0.000 1.014 994 V CA 0.354 62.071 62.300 -0.973 0.000 1.127 994 V CB 0.499 32.054 31.823 -0.447 0.000 0.925 994 V HN 0.923 nan 8.190 nan 0.000 0.480 995 S N 4.482 119.913 115.700 -0.449 0.000 2.576 995 S HA 0.128 4.597 4.470 -0.001 0.000 0.272 995 S C 1.266 175.780 174.600 -0.143 0.000 1.352 995 S CA 0.122 58.207 58.200 -0.191 0.000 1.021 995 S CB 1.024 64.172 63.200 -0.087 0.000 0.887 995 S HN 1.576 nan 8.310 nan 0.000 0.542 996 S N 2.123 117.752 115.700 -0.117 0.000 2.557 996 S HA 0.481 4.950 4.470 -0.001 0.000 0.223 996 S C 0.382 174.896 174.600 -0.144 0.000 0.969 996 S CA -0.107 58.030 58.200 -0.105 0.000 0.927 996 S CB -0.137 63.013 63.200 -0.083 0.000 0.806 996 S HN 0.935 nan 8.310 nan 0.000 0.489 997 A N 1.846 124.541 122.820 -0.208 0.000 2.327 997 A HA 0.589 4.908 4.320 -0.001 0.000 0.283 997 A C 1.005 178.281 177.584 -0.514 0.000 1.127 997 A CA -0.102 51.727 52.037 -0.347 0.000 0.810 997 A CB 0.501 19.255 19.000 -0.410 0.000 1.066 997 A HN 0.524 nan 8.150 nan 0.000 0.492 998 T N -1.627 112.619 114.554 -0.512 0.000 3.132 998 T HA 0.397 4.747 4.350 -0.001 0.000 0.274 998 T C 0.289 174.598 174.700 -0.653 0.000 1.011 998 T CA 0.405 62.233 62.100 -0.452 0.000 0.899 998 T CB -0.735 68.054 68.868 -0.131 0.000 1.089 998 T HN 1.226 nan 8.240 nan 0.000 0.543 999 S N 0.034 115.132 115.700 -1.003 0.000 2.569 999 S HA 0.532 5.002 4.470 -0.001 0.000 0.280 999 S C 0.759 174.505 174.600 -1.424 0.000 1.111 999 S CA -1.086 56.533 58.200 -0.969 0.000 0.887 999 S CB 2.550 65.447 63.200 -0.505 0.000 1.095 999 S HN 0.174 nan 8.310 nan 0.000 0.476 1000 R N 0.980 120.693 120.500 -1.311 0.000 2.105 1000 R HA -0.129 4.210 4.340 -0.001 0.000 0.239 1000 R C 2.023 177.504 176.300 -1.365 0.000 1.135 1000 R CA 1.867 57.104 56.100 -1.438 0.000 0.967 1000 R CB -0.983 28.621 30.300 -1.161 0.000 0.861 1000 R HN 0.843 nan 8.270 nan 0.000 0.442 1001 A N 0.570 122.885 122.820 -0.842 0.000 1.930 1001 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 1001 A C 2.289 179.621 177.584 -0.419 0.000 1.175 1001 A CA 1.513 53.237 52.037 -0.522 0.000 0.627 1001 A CB -0.553 18.259 19.000 -0.315 0.000 0.815 1001 A HN 0.537 nan 8.150 nan 0.000 0.443 1002 A N -1.117 121.412 122.820 -0.485 0.000 2.067 1002 A HA 0.186 4.505 4.320 -0.001 0.000 0.217 1002 A C 1.997 179.368 177.584 -0.354 0.000 1.156 1002 A CA 1.318 53.135 52.037 -0.365 0.000 0.683 1002 A CB -0.372 18.403 19.000 -0.375 0.000 0.808 1002 A HN 0.486 nan 8.150 nan 0.000 0.455 1003 L N -1.300 119.602 121.223 -0.535 0.000 2.044 1003 L HA 0.031 4.370 4.340 -0.001 0.000 0.205 1003 L C 2.075 178.940 176.870 -0.008 0.000 1.075 1003 L CA 1.771 56.407 54.840 -0.340 0.000 0.747 1003 L CB -0.824 40.931 42.059 -0.507 0.000 0.903 1003 L HN 0.341 nan 8.230 nan 0.000 0.435 1004 F N 0.237 120.091 119.950 -0.160 0.000 2.075 1004 F HA -0.178 4.348 4.527 -0.001 0.000 0.297 1004 F C 2.586 178.392 175.800 0.011 0.000 1.113 1004 F CA 1.381 59.359 58.000 -0.036 0.000 1.218 1004 F CB -1.407 37.508 39.000 -0.142 0.000 0.984 1004 F HN 0.250 nan 8.300 nan 0.000 0.472 1005 N N -0.436 118.344 118.700 0.132 0.000 2.250 1005 N HA -0.112 4.628 4.740 -0.001 0.000 0.181 1005 N C 1.127 176.650 175.510 0.021 0.000 1.017 1005 N CA 1.326 54.413 53.050 0.060 0.000 0.866 1005 N CB 0.012 38.503 38.487 0.008 0.000 0.985 1005 N HN 0.296 nan 8.380 nan 0.000 0.429 1006 D N 0.251 120.640 120.400 -0.018 0.000 2.525 1006 D HA 0.040 4.680 4.640 -0.001 0.000 0.248 1006 D C 0.961 177.249 176.300 -0.021 0.000 1.000 1006 D CA 0.110 54.089 54.000 -0.035 0.000 0.923 1006 D CB -0.205 40.549 40.800 -0.077 0.000 1.101 1006 D HN 0.036 nan 8.370 nan 0.000 0.493 1007 G N 1.797 110.584 108.800 -0.021 0.000 2.228 1007 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.242 1007 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.242 1007 G C 0.067 174.981 174.900 0.022 0.000 0.987 1007 G CA 0.344 45.447 45.100 0.006 0.000 0.893 1007 G HN -0.036 nan 8.290 nan 0.000 0.418 1008 E N 1.524 121.721 120.200 -0.005 0.000 2.316 1008 E HA 0.123 4.473 4.350 -0.001 0.000 0.275 1008 E C 0.652 177.240 176.600 -0.020 0.000 1.029 1008 E CA -0.510 55.881 56.400 -0.014 0.000 0.871 1008 E CB 0.355 30.039 29.700 -0.027 0.000 1.022 1008 E HN 0.459 nan 8.360 nan 0.000 0.418 1009 N N 2.379 121.055 118.700 -0.039 0.000 2.293 1009 N HA 0.099 4.838 4.740 -0.001 0.000 0.253 1009 N C 0.772 176.246 175.510 -0.059 0.000 1.248 1009 N CA 1.515 54.519 53.050 -0.078 0.000 0.845 1009 N CB 0.497 38.934 38.487 -0.082 0.000 1.073 1009 N HN 0.729 nan 8.380 nan 0.000 0.464 1010 G N 0.861 109.619 108.800 -0.071 0.000 2.159 1010 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.256 1010 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.256 1010 G C -0.571 174.354 174.900 0.041 0.000 0.977 1010 G CA -0.064 45.025 45.100 -0.019 0.000 0.652 1010 G HN 0.602 nan 8.290 nan 0.000 0.531 1011 D N 0.408 120.829 120.400 0.034 0.000 2.225 1011 D HA 0.577 5.216 4.640 -0.001 0.000 0.248 1011 D C 0.556 176.958 176.300 0.170 0.000 1.096 1011 D CA -0.277 53.746 54.000 0.038 0.000 0.863 1011 D CB 0.575 41.382 40.800 0.012 0.000 1.156 1011 D HN 0.359 nan 8.370 nan 0.000 0.450 1012 F N 0.419 120.457 119.950 0.147 0.000 2.425 1012 F HA 0.719 5.246 4.527 -0.001 0.000 0.331 1012 F C -0.821 175.156 175.800 0.296 0.000 1.085 1012 F CA -1.436 56.691 58.000 0.211 0.000 1.028 1012 F CB 0.965 40.051 39.000 0.144 0.000 1.177 1012 F HN 0.250 nan 8.300 nan 0.000 0.487 1013 W N 5.224 126.693 121.300 0.281 0.000 2.683 1013 W HA 0.658 5.317 4.660 -0.001 0.000 0.329 1013 W C -2.064 174.625 176.519 0.283 0.000 1.037 1013 W CA -1.796 55.635 57.345 0.142 0.000 1.232 1013 W CB 1.621 31.087 29.460 0.010 0.000 1.390 1013 W HN 0.547 nan 8.180 nan 0.000 0.465 1014 V N 6.556 126.315 119.914 -0.258 0.000 2.439 1014 V HA 0.037 4.156 4.120 -0.001 0.000 0.271 1014 V C -0.078 175.397 176.094 -1.032 0.000 1.040 1014 V CA 0.098 62.156 62.300 -0.403 0.000 1.002 1014 V CB 0.712 32.498 31.823 -0.062 0.000 1.000 1014 V HN 0.452 nan 8.190 nan 0.000 0.477 1015 D N 4.647 124.461 120.400 -0.977 0.000 2.485 1015 D HA 0.181 4.820 4.640 -0.001 0.000 0.221 1015 D C 1.087 177.195 176.300 -0.321 0.000 1.112 1015 D CA -0.265 53.149 54.000 -0.976 0.000 0.911 1015 D CB 1.206 41.525 40.800 -0.802 0.000 1.019 1015 D HN 0.466 nan 8.370 nan 0.000 0.516 1016 Q N 2.111 121.805 119.800 -0.176 0.000 2.050 1016 Q HA -0.174 4.165 4.340 -0.001 0.000 0.202 1016 Q C 1.468 177.453 176.000 -0.024 0.000 0.980 1016 Q CA 1.012 56.779 55.803 -0.061 0.000 0.840 1016 Q CB 0.035 28.766 28.738 -0.011 0.000 0.898 1016 Q HN 0.679 nan 8.270 nan 0.000 0.424 1017 E N 0.002 120.204 120.200 0.004 0.000 2.086 1017 E HA -0.190 4.159 4.350 -0.001 0.000 0.200 1017 E C 1.594 178.212 176.600 0.029 0.000 1.012 1017 E CA 1.972 58.388 56.400 0.026 0.000 0.812 1017 E CB 0.150 29.882 29.700 0.053 0.000 0.743 1017 E HN 0.465 nan 8.360 nan 0.000 0.453 1018 T N -2.620 111.957 114.554 0.039 0.000 3.069 1018 T HA 0.035 4.385 4.350 -0.001 0.000 0.252 1018 T C 0.205 174.925 174.700 0.034 0.000 1.053 1018 T CA 0.562 62.703 62.100 0.067 0.000 0.964 1018 T CB 0.166 69.120 68.868 0.144 0.000 1.005 1018 T HN 0.173 nan 8.240 nan 0.000 0.532 1019 D N 0.402 120.799 120.400 -0.005 0.000 2.746 1019 D HA -0.143 4.497 4.640 -0.001 0.000 0.241 1019 D C -0.820 175.447 176.300 -0.056 0.000 1.140 1019 D CA 0.497 54.481 54.000 -0.028 0.000 0.707 1019 D CB -1.353 39.444 40.800 -0.005 0.000 1.034 1019 D HN 0.516 nan 8.370 nan 0.000 0.423 1020 S N -0.212 115.442 115.700 -0.076 0.000 2.618 1020 S HA 0.761 5.231 4.470 -0.001 0.000 0.277 1020 S C -1.209 173.327 174.600 -0.107 0.000 1.138 1020 S CA -0.854 57.277 58.200 -0.114 0.000 0.844 1020 S CB 1.981 65.103 63.200 -0.130 0.000 1.127 1020 S HN 0.312 nan 8.310 nan 0.000 0.474 1021 L N 1.860 123.015 121.223 -0.115 0.000 2.325 1021 L HA 0.652 4.991 4.340 -0.001 0.000 0.281 1021 L C -2.058 174.841 176.870 0.048 0.000 1.004 1021 L CA -0.135 54.703 54.840 -0.003 0.000 0.823 1021 L CB 0.631 42.682 42.059 -0.014 0.000 1.236 1021 L HN 0.715 nan 8.230 nan 0.000 0.415 1022 W N 6.214 127.574 121.300 0.100 0.000 2.391 1022 W HA 0.569 5.228 4.660 -0.001 0.000 0.311 1022 W C -1.012 175.726 176.519 0.365 0.000 1.087 1022 W CA -0.420 57.097 57.345 0.287 0.000 1.209 1022 W CB 1.156 30.858 29.460 0.404 0.000 1.273 1022 W HN 0.194 nan 8.180 nan 0.000 0.482 1023 L N 3.962 125.497 121.223 0.520 0.000 2.280 1023 L HA 0.327 4.666 4.340 -0.001 0.000 0.287 1023 L C 0.157 177.187 176.870 0.267 0.000 1.023 1023 L CA -1.016 54.039 54.840 0.359 0.000 0.819 1023 L CB 1.123 43.306 42.059 0.207 0.000 1.212 1023 L HN 0.271 nan 8.230 nan 0.000 0.420 1024 K N 4.358 124.838 120.400 0.134 0.000 2.248 1024 K HA 0.715 5.035 4.320 -0.001 0.000 0.281 1024 K C -1.203 175.176 176.600 -0.368 0.000 1.054 1024 K CA -0.249 55.836 56.287 -0.336 0.000 0.903 1024 K CB 0.557 33.010 32.500 -0.079 0.000 1.077 1024 K HN 0.546 nan 8.250 nan 0.000 0.474 1025 L N 5.223 126.046 121.223 -0.667 0.000 2.327 1025 L HA 0.587 4.926 4.340 -0.001 0.000 0.258 1025 L C -2.347 174.148 176.870 -0.624 0.000 1.024 1025 L CA -2.815 51.638 54.840 -0.645 0.000 0.825 1025 L CB 2.245 43.768 42.059 -0.893 0.000 1.386 1025 L HN 0.590 nan 8.230 nan 0.000 0.417 1026 P HA 0.111 nan 4.420 nan 0.000 0.276 1026 P C -0.004 177.254 177.300 -0.070 0.000 1.244 1026 P CA -0.549 62.439 63.100 -0.188 0.000 0.801 1026 P CB 0.440 32.075 31.700 -0.109 0.000 1.006 1027 N N 1.306 120.055 118.700 0.082 0.000 2.443 1027 N HA -0.109 4.630 4.740 -0.001 0.000 0.184 1027 N C 0.879 176.528 175.510 0.231 0.000 1.037 1027 N CA 1.623 54.841 53.050 0.280 0.000 0.896 1027 N CB -0.713 37.910 38.487 0.227 0.000 0.959 1027 N HN 0.241 nan 8.380 nan 0.000 0.442 1028 V N -0.778 119.195 119.914 0.098 0.000 3.406 1028 V HA 0.059 4.178 4.120 -0.001 0.000 0.263 1028 V C 2.372 178.452 176.094 -0.023 0.000 1.172 1028 V CA 0.757 63.074 62.300 0.029 0.000 1.140 1028 V CB -0.521 31.303 31.823 0.002 0.000 0.784 1028 V HN 0.252 nan 8.190 nan 0.000 0.467 1029 V N -2.223 117.708 119.914 0.028 0.000 3.608 1029 V HA 0.156 4.275 4.120 -0.001 0.000 0.269 1029 V C 2.099 178.173 176.094 -0.033 0.000 1.245 1029 V CA 0.911 63.201 62.300 -0.017 0.000 1.138 1029 V CB 0.298 32.090 31.823 -0.053 0.000 0.841 1029 V HN 0.382 nan 8.190 nan 0.000 0.451 1030 L N 2.008 123.256 121.223 0.041 0.000 1.997 1030 L HA 0.005 4.345 4.340 -0.001 0.000 0.216 1030 L C -0.270 176.387 176.870 -0.355 0.000 1.074 1030 L CA 2.867 57.490 54.840 -0.362 0.000 0.763 1030 L CB -1.592 40.315 42.059 -0.253 0.000 0.890 1030 L HN 0.353 nan 8.230 nan 0.000 0.434 1031 P HA 0.040 nan 4.420 nan 0.000 0.242 1031 P C -1.228 175.958 177.300 -0.189 0.000 1.197 1031 P CA 0.805 63.605 63.100 -0.499 0.000 0.765 1031 P CB -0.216 30.958 31.700 -0.876 0.000 0.936 1032 D N -1.639 118.691 120.400 -0.116 0.000 2.205 1032 D HA 0.441 5.080 4.640 -0.001 0.000 0.168 1032 D C -1.463 174.826 176.300 -0.018 0.000 1.167 1032 D CA -0.576 53.400 54.000 -0.040 0.000 0.834 1032 D CB 0.457 41.220 40.800 -0.061 0.000 2.599 1032 D HN -0.001 nan 8.370 nan 0.000 0.497 1033 A N 0.924 123.771 122.820 0.045 0.000 2.590 1033 A HA 0.605 4.924 4.320 -0.001 0.000 0.294 1033 A C -1.834 175.797 177.584 0.079 0.000 1.046 1033 A CA -0.724 51.333 52.037 0.033 0.000 0.684 1033 A CB 1.663 20.650 19.000 -0.022 0.000 1.279 1033 A HN 0.721 nan 8.150 nan 0.000 0.415 1034 V N 1.632 121.568 119.914 0.037 0.000 2.380 1034 V HA 0.447 4.566 4.120 -0.001 0.000 0.286 1034 V C -0.539 175.578 176.094 0.038 0.000 1.015 1034 V CA -0.077 62.255 62.300 0.053 0.000 0.834 1034 V CB 0.921 32.771 31.823 0.045 0.000 1.009 1034 V HN 0.645 nan 8.190 nan 0.000 0.428 1035 I N 4.492 125.106 120.570 0.073 0.000 2.297 1035 I HA 0.401 4.570 4.170 -0.001 0.000 0.291 1035 I C 0.568 176.719 176.117 0.057 0.000 1.033 1035 I CA 0.025 61.359 61.300 0.056 0.000 1.253 1035 I CB 1.639 39.698 38.000 0.098 0.000 1.396 1035 I HN 0.715 nan 8.210 nan 0.000 0.476 1036 T N 6.142 120.735 114.554 0.064 0.000 2.779 1036 T HA 0.653 5.002 4.350 -0.001 0.000 0.280 1036 T C -0.559 174.160 174.700 0.033 0.000 0.987 1036 T CA -0.523 61.611 62.100 0.057 0.000 0.966 1036 T CB 0.721 69.635 68.868 0.077 0.000 0.933 1036 T HN 0.349 nan 8.240 nan 0.000 0.442 1037 I N 4.067 124.638 120.570 0.001 0.000 2.354 1037 I HA 0.354 4.523 4.170 -0.001 0.000 0.286 1037 I C 0.633 176.727 176.117 -0.039 0.000 1.007 1037 I CA -0.587 60.691 61.300 -0.036 0.000 1.167 1037 I CB 1.848 39.819 38.000 -0.049 0.000 1.320 1037 I HN 0.671 nan 8.210 nan 0.000 0.458 1038 T N 0.000 114.525 114.554 -0.048 0.000 3.816 1038 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 1038 T CA 0.000 62.078 62.100 -0.037 0.000 1.349 1038 T CB 0.000 68.852 68.868 -0.027 0.000 0.612 1038 T HN 0.000 nan 8.240 nan 0.000 0.658