REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2x2h_1_C DATA FIRST_RESID 14 DATA SEQUENCE TDNPDGIDYK TYDYVGVWGF SPLSNTNWFA AGSSTPGGIT DWTATMNVNF DATA SEQUENCE DRIDNPSITV QHPVQVQVTS YNNNSYRVRF NPDGPIRDVT RGPILKQQLD DATA SEQUENCE WIRTQELSEG CDPGMTFTSE GFLTFETKDL SVIIYGNFKT RVTRKSDGKV DATA SEQUENCE IMENDEVGTA SSGNKCRGLM FVDRLYGNAI ASVNKNFRND AVKQEGFYGA DATA SEQUENCE GEVNCKYQDT YILERTGIAM TNYNYDNLNY NQWDLRPPHH DGALNPDYYI DATA SEQUENCE PMYYAAPWLI VNGCAGTSEQ YSYGWFMDNV SQSYMNTGDT TWNSGQEDLA DATA SEQUENCE YMGAQYGPFD QHFVYGAGGG MEXVVTAFSL LQGKEFENQV LNKRSVMPPK DATA SEQUENCE YVFGFFQGVF GTSSLLRAHM PAGENNISVE EIVEGYQNNN FPFEGLAVDV DATA SEQUENCE DMQDNLRVFT TKGEFWTANR VGTGGDPNNR SVFEWAHDKG LVCQTNITCF DATA SEQUENCE LRNDNEGQDY EVNQTLRERQ LYTKNDSLTG TDFGMTDDGP SDAYIGHLDY DATA SEQUENCE GGGVECDALF PDWGRPDVAE WWGNNYKKLF SIGLDFVWQD MTVPAMMPHK DATA SEQUENCE IGDDINVKPD GNWPNADDPS NGQYNWKTYH PQVLVTDMRY ENHGREPMVT DATA SEQUENCE QRNIHAYTLC ESTRKEGIVE NADTLTKFRR SYIISRGGYI GNQHFGGMWV DATA SEQUENCE GDNSTTSNYI QMMIANNINM NMSCLPLVGS DIGGFTSYDN ENQRTPCTGD DATA SEQUENCE LMVRYVQAGC LLPWFRNHYD RWIESKDHGK DYQELYMYPN EMDTLRKFVE DATA SEQUENCE FRYRWQEVLY TAMYQNAAFG KPIIKAASMY NNDSNVRRAQ NDHFLLGGHD DATA SEQUENCE GYRILCAPVV WENSTERELY LPVLTQWYKF GPDFDTKPLE GAMNGGDRIY DATA SEQUENCE NYPVPQSESP IFVREGAILP TRYTLNGENK SLNTYTDEDP LVFEVFPLGN DATA SEQUENCE NRADGMCYLD DGGVTTNAED NGKFSVVKVA AEQDGGTETI TFTNDCYEYV DATA SEQUENCE FGGPFYVRVR GAQSPSNIHV SSGAGSQDMK VSSATSRAAL FNDGENGDFW DATA SEQUENCE VDQETDSLWL KLPNVVLPDA VITIT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 14 T HA 0.000 nan 4.350 nan 0.000 0.228 14 T C 0.000 174.650 174.700 -0.083 0.000 1.109 14 T CA 0.000 62.065 62.100 -0.059 0.000 1.349 14 T CB 0.000 68.845 68.868 -0.038 0.000 0.612 15 D N 3.108 123.478 120.400 -0.049 0.000 2.443 15 D HA 0.318 4.958 4.640 0.000 0.000 0.239 15 D C 0.639 176.923 176.300 -0.027 0.000 1.136 15 D CA 0.668 54.646 54.000 -0.036 0.000 0.879 15 D CB 0.041 40.837 40.800 -0.006 0.000 1.195 15 D HN 0.387 nan 8.370 nan 0.000 0.443 16 N N 1.802 120.497 118.700 -0.008 0.000 2.667 16 N HA -0.161 4.580 4.740 0.000 0.000 0.263 16 N C -1.912 173.587 175.510 -0.019 0.000 1.038 16 N CA -0.149 52.927 53.050 0.044 0.000 0.749 16 N CB -0.264 38.307 38.487 0.140 0.000 0.892 16 N HN 0.245 nan 8.380 nan 0.000 0.546 17 P HA -0.059 nan 4.420 nan 0.000 0.220 17 P C 0.523 177.796 177.300 -0.046 0.000 1.148 17 P CA 1.047 64.074 63.100 -0.121 0.000 0.803 17 P CB 0.174 31.689 31.700 -0.308 0.000 0.782 18 D N -1.724 118.659 120.400 -0.027 0.000 2.339 18 D HA 0.104 4.745 4.640 0.000 0.000 0.217 18 D C 0.960 177.241 176.300 -0.032 0.000 1.050 18 D CA 0.540 54.527 54.000 -0.021 0.000 0.856 18 D CB -0.078 40.710 40.800 -0.020 0.000 0.922 18 D HN 0.095 nan 8.370 nan 0.000 0.518 19 G N 2.276 111.061 108.800 -0.025 0.000 2.333 19 G HA2 -0.288 3.672 3.960 0.000 0.000 0.296 19 G HA3 -0.288 3.672 3.960 0.000 0.000 0.296 19 G C 0.210 175.060 174.900 -0.084 0.000 1.059 19 G CA -0.138 44.943 45.100 -0.031 0.000 1.050 19 G HN 0.324 nan 8.290 nan 0.000 0.508 20 I N 0.068 120.543 120.570 -0.158 0.000 2.519 20 I HA 0.210 4.380 4.170 0.000 0.000 0.287 20 I C 0.239 176.084 176.117 -0.452 0.000 1.047 20 I CA -0.434 60.650 61.300 -0.360 0.000 1.381 20 I CB 1.119 38.773 38.000 -0.576 0.000 1.417 20 I HN 0.141 nan 8.210 nan 0.000 0.540 21 D N 6.031 126.226 120.400 -0.341 0.000 2.359 21 D HA 0.173 4.814 4.640 0.000 0.000 0.230 21 D C -1.089 175.069 176.300 -0.236 0.000 1.118 21 D CA -0.260 53.621 54.000 -0.199 0.000 0.844 21 D CB 0.330 41.077 40.800 -0.088 0.000 1.059 21 D HN 0.122 nan 8.370 nan 0.000 0.493 22 Y N 3.065 123.417 120.300 0.087 0.000 2.539 22 Y HA 0.212 4.762 4.550 0.001 0.000 0.352 22 Y C 1.584 177.462 175.900 -0.036 0.000 1.004 22 Y CA -0.190 57.945 58.100 0.059 0.000 1.278 22 Y CB 1.121 39.547 38.460 -0.057 0.000 1.136 22 Y HN 0.266 nan 8.280 nan 0.000 0.528 23 K N 1.091 121.529 120.400 0.064 0.000 2.353 23 K HA 0.184 4.504 4.320 0.000 0.000 0.195 23 K C -0.231 176.383 176.600 0.024 0.000 1.031 23 K CA 0.400 56.708 56.287 0.034 0.000 1.079 23 K CB 0.573 33.070 32.500 -0.005 0.000 0.857 23 K HN 0.495 nan 8.250 nan 0.000 0.535 24 T N -0.589 113.950 114.554 -0.026 0.000 2.916 24 T HA 0.321 4.671 4.350 0.000 0.000 0.298 24 T C -0.675 174.018 174.700 -0.012 0.000 1.031 24 T CA -0.564 61.558 62.100 0.037 0.000 0.993 24 T CB 1.212 70.099 68.868 0.033 0.000 1.045 24 T HN -0.023 nan 8.240 nan 0.000 0.454 25 Y N -0.296 120.168 120.300 0.273 0.000 2.512 25 Y HA 0.261 4.811 4.550 0.000 0.000 0.268 25 Y C 0.911 176.985 175.900 0.290 0.000 1.102 25 Y CA -0.446 57.821 58.100 0.277 0.000 1.261 25 Y CB 0.584 39.207 38.460 0.271 0.000 1.250 25 Y HN 0.501 nan 8.280 nan 0.000 0.506 26 D N -0.007 120.651 120.400 0.430 0.000 2.344 26 D HA -0.032 4.608 4.640 0.000 0.000 0.244 26 D C -0.426 175.830 176.300 -0.072 0.000 1.134 26 D CA -0.216 54.022 54.000 0.396 0.000 0.930 26 D CB 0.435 41.553 40.800 0.529 0.000 1.175 26 D HN -0.004 nan 8.370 nan 0.000 0.437 27 Y N 1.055 120.778 120.300 -0.962 0.000 2.895 27 Y HA 0.033 4.584 4.550 0.001 0.000 0.334 27 Y C -0.534 174.911 175.900 -0.758 0.000 1.261 27 Y CA 0.204 57.474 58.100 -1.383 0.000 1.560 27 Y CB 0.197 37.207 38.460 -2.416 0.000 1.253 27 Y HN -0.044 nan 8.280 nan 0.000 0.582 28 V N 8.091 127.399 119.914 -1.010 0.000 2.326 28 V HA 0.393 4.514 4.120 0.000 0.000 0.281 28 V C 0.827 176.201 176.094 -1.199 0.000 1.015 28 V CA -0.509 61.324 62.300 -0.779 0.000 0.823 28 V CB 0.699 32.358 31.823 -0.273 0.000 1.009 28 V HN 1.099 nan 8.190 nan 0.000 0.436 29 G N 2.549 110.412 108.800 -1.563 0.000 2.664 29 G HA2 0.265 4.225 3.960 0.000 0.000 0.242 29 G HA3 0.265 4.225 3.960 0.000 0.000 0.242 29 G C 1.354 175.398 174.900 -1.426 0.000 1.225 29 G CA 0.206 44.058 45.100 -2.081 0.000 0.849 29 G HN 1.038 nan 8.290 nan 0.000 0.581 30 V N -2.119 117.065 119.914 -1.216 0.000 2.688 30 V HA -0.167 3.953 4.120 0.000 0.000 0.256 30 V C 2.072 177.923 176.094 -0.406 0.000 1.084 30 V CA 2.019 64.034 62.300 -0.474 0.000 1.103 30 V CB -1.298 30.445 31.823 -0.133 0.000 0.688 30 V HN 0.893 nan 8.190 nan 0.000 0.480 31 W N 1.472 122.504 121.300 -0.445 0.000 2.825 31 W HA 0.503 5.163 4.660 0.000 0.000 0.243 31 W C 1.815 178.212 176.519 -0.202 0.000 1.293 31 W CA 0.297 57.372 57.345 -0.451 0.000 1.403 31 W CB -1.019 27.831 29.460 -1.017 0.000 1.134 31 W HN 0.244 nan 8.180 nan 0.000 0.666 32 G N -0.875 107.807 108.800 -0.197 0.000 3.596 32 G HA2 0.198 4.159 3.960 0.000 0.000 0.274 32 G HA3 0.198 4.159 3.960 0.000 0.000 0.274 32 G C -1.029 173.817 174.900 -0.089 0.000 1.007 32 G CA -0.371 44.676 45.100 -0.087 0.000 0.825 32 G HN 0.128 nan 8.290 nan 0.000 0.508 33 F N 3.305 123.064 119.950 -0.318 0.000 2.434 33 F HA 0.549 5.076 4.527 0.001 0.000 0.355 33 F C -0.071 175.592 175.800 -0.228 0.000 1.115 33 F CA -1.339 56.423 58.000 -0.396 0.000 1.010 33 F CB 1.905 40.318 39.000 -0.978 0.000 1.234 33 F HN -0.008 nan 8.300 nan 0.000 0.439 34 S N 6.080 121.427 115.700 -0.588 0.000 2.356 34 S HA 0.292 4.762 4.470 0.000 0.000 0.171 34 S C -2.442 171.774 174.600 -0.640 0.000 1.399 34 S CA -0.927 57.004 58.200 -0.449 0.000 1.225 34 S CB 0.997 64.097 63.200 -0.166 0.000 1.271 34 S HN 0.444 nan 8.310 nan 0.000 0.427 35 P HA -0.000 nan 4.420 nan 0.000 0.223 35 P C 1.196 177.835 177.300 -1.102 0.000 1.151 35 P CA 0.471 62.600 63.100 -1.620 0.000 0.787 35 P CB 0.007 30.589 31.700 -1.864 0.000 0.788 36 L N -0.762 120.053 121.223 -0.679 0.000 2.551 36 L HA 0.001 4.342 4.340 0.000 0.000 0.228 36 L C 2.121 178.825 176.870 -0.277 0.000 1.153 36 L CA 0.661 55.267 54.840 -0.389 0.000 0.851 36 L CB -0.820 41.115 42.059 -0.207 0.000 0.959 36 L HN -0.049 nan 8.230 nan 0.000 0.451 37 S N -0.072 115.460 115.700 -0.280 0.000 2.522 37 S HA -0.056 4.415 4.470 0.000 0.000 0.227 37 S C 1.011 175.538 174.600 -0.121 0.000 0.986 37 S CA 0.393 58.502 58.200 -0.152 0.000 0.929 37 S CB -0.065 63.077 63.200 -0.097 0.000 0.769 37 S HN 0.527 nan 8.310 nan 0.000 0.529 38 N N -0.420 118.162 118.700 -0.197 0.000 2.631 38 N HA -0.146 4.594 4.740 0.000 0.000 0.218 38 N C -0.081 175.487 175.510 0.098 0.000 0.972 38 N CA 1.940 54.932 53.050 -0.096 0.000 1.918 38 N CB -1.815 36.620 38.487 -0.087 0.000 0.895 38 N HN 0.372 nan 8.380 nan 0.000 0.540 39 T N 2.678 117.275 114.554 0.071 0.000 2.853 39 T HA 0.181 4.531 4.350 0.000 0.000 0.298 39 T C 0.928 175.624 174.700 -0.007 0.000 0.978 39 T CA 0.452 62.553 62.100 0.001 0.000 1.152 39 T CB 0.460 69.292 68.868 -0.060 0.000 0.914 39 T HN 0.310 nan 8.240 nan 0.000 0.539 40 N N 0.066 118.688 118.700 -0.129 0.000 2.948 40 N HA -0.139 4.602 4.740 0.000 0.000 0.239 40 N C -0.973 174.367 175.510 -0.283 0.000 0.954 40 N CA 0.868 53.782 53.050 -0.227 0.000 0.941 40 N CB -1.324 36.972 38.487 -0.317 0.000 1.101 40 N HN 0.715 nan 8.380 nan 0.000 0.579 41 W N 0.782 121.930 121.300 -0.253 0.000 2.361 41 W HA 0.573 5.234 4.660 0.000 0.000 0.309 41 W C 0.511 176.828 176.519 -0.337 0.000 1.122 41 W CA -0.496 56.705 57.345 -0.240 0.000 1.208 41 W CB 0.311 29.669 29.460 -0.171 0.000 1.246 41 W HN -0.130 nan 8.180 nan 0.000 0.490 42 F N 2.503 122.343 119.950 -0.183 0.000 2.418 42 F HA 0.536 5.063 4.527 0.000 0.000 0.341 42 F C 0.795 176.578 175.800 -0.030 0.000 1.120 42 F CA -0.206 57.633 58.000 -0.268 0.000 1.232 42 F CB 0.707 39.168 39.000 -0.898 0.000 1.175 42 F HN 0.354 nan 8.300 nan 0.000 0.569 43 A N 1.488 124.508 122.820 0.333 0.000 2.539 43 A HA 0.800 5.120 4.320 0.000 0.000 0.296 43 A C -1.143 176.604 177.584 0.272 0.000 1.073 43 A CA -0.714 51.523 52.037 0.333 0.000 0.700 43 A CB 0.795 19.897 19.000 0.170 0.000 1.296 43 A HN 0.974 nan 8.150 nan 0.000 0.405 44 A N -0.081 122.786 122.820 0.079 0.000 2.488 44 A HA 0.502 4.823 4.320 0.000 0.000 0.249 44 A C 1.111 178.635 177.584 -0.100 0.000 1.083 44 A CA 0.535 52.390 52.037 -0.304 0.000 0.768 44 A CB -0.113 18.648 19.000 -0.399 0.000 1.017 44 A HN 1.965 nan 8.150 nan 0.000 0.496 45 G N 0.387 109.116 108.800 -0.118 0.000 2.692 45 G HA2 0.436 4.397 3.960 0.000 0.000 0.201 45 G HA3 0.436 4.397 3.960 0.000 0.000 0.201 45 G C 0.306 175.194 174.900 -0.021 0.000 1.063 45 G CA 0.956 46.038 45.100 -0.030 0.000 0.790 45 G HN 1.804 nan 8.290 nan 0.000 0.599 46 S N -0.993 114.675 115.700 -0.053 0.000 2.645 46 S HA 0.671 5.141 4.470 0.000 0.000 0.268 46 S C -0.895 173.684 174.600 -0.034 0.000 1.110 46 S CA 0.329 58.524 58.200 -0.008 0.000 0.823 46 S CB 1.431 64.633 63.200 0.003 0.000 1.091 46 S HN 1.326 nan 8.310 nan 0.000 0.466 47 S N -0.258 115.449 115.700 0.012 0.000 2.636 47 S HA 0.896 5.367 4.470 0.000 0.000 0.268 47 S C -0.863 173.738 174.600 0.002 0.000 1.159 47 S CA -0.193 58.009 58.200 0.003 0.000 0.815 47 S CB 1.060 64.295 63.200 0.059 0.000 1.130 47 S HN 2.169 nan 8.310 nan 0.000 0.471 48 T N -1.503 113.032 114.554 -0.032 0.000 2.900 48 T HA 0.784 5.134 4.350 0.000 0.000 0.295 48 T C -3.409 171.182 174.700 -0.181 0.000 1.044 48 T CA -2.098 59.949 62.100 -0.088 0.000 0.995 48 T CB 1.200 70.014 68.868 -0.091 0.000 1.072 48 T HN 0.427 nan 8.240 nan 0.000 0.473 49 P HA 0.323 nan 4.420 nan 0.000 0.266 49 P C 0.643 177.637 177.300 -0.510 0.000 1.195 49 P CA 0.012 62.575 63.100 -0.895 0.000 0.768 49 P CB 0.357 31.301 31.700 -1.260 0.000 0.838 50 G N 1.409 109.972 108.800 -0.395 0.000 3.839 50 G HA2 0.506 4.466 3.960 0.000 0.000 0.286 50 G HA3 0.506 4.466 3.960 0.000 0.000 0.286 50 G C 0.292 175.172 174.900 -0.033 0.000 1.005 50 G CA 0.145 45.168 45.100 -0.128 0.000 0.824 50 G HN 0.895 nan 8.290 nan 0.000 0.489 51 G N -0.042 108.734 108.800 -0.039 0.000 2.690 51 G HA2 -0.076 3.884 3.960 0.000 0.000 0.686 51 G HA3 -0.076 3.884 3.960 0.000 0.000 0.686 51 G C -0.760 174.290 174.900 0.251 0.000 1.277 51 G CA -0.627 44.539 45.100 0.109 0.000 0.799 51 G HN 0.612 nan 8.290 nan 0.000 0.613 52 I N 1.008 121.709 120.570 0.219 0.000 2.418 52 I HA 0.507 4.678 4.170 0.000 0.000 0.287 52 I C 0.102 176.296 176.117 0.127 0.000 1.008 52 I CA -0.673 60.738 61.300 0.185 0.000 1.104 52 I CB 2.429 40.527 38.000 0.164 0.000 1.264 52 I HN 0.516 nan 8.210 nan 0.000 0.438 53 T N 4.657 119.280 114.554 0.115 0.000 2.824 53 T HA 0.305 4.655 4.350 0.000 0.000 0.282 53 T C -0.162 174.596 174.700 0.097 0.000 0.993 53 T CA -0.347 61.806 62.100 0.090 0.000 0.967 53 T CB 1.495 70.405 68.868 0.071 0.000 0.960 53 T HN 0.690 nan 8.240 nan 0.000 0.441 54 D N 1.180 121.627 120.400 0.078 0.000 3.740 54 D HA -0.197 4.444 4.640 0.000 0.000 0.147 54 D C 0.098 176.552 176.300 0.258 0.000 0.885 54 D CA 1.641 55.677 54.000 0.060 0.000 1.051 54 D CB -0.429 40.348 40.800 -0.038 0.000 0.480 54 D HN 0.644 nan 8.370 nan 0.000 0.469 55 W N 1.580 122.875 121.300 -0.007 0.000 3.015 55 W HA 0.374 5.034 4.660 0.000 0.000 0.429 55 W C 0.000 176.488 176.519 -0.053 0.000 0.976 55 W CA -0.024 57.299 57.345 -0.037 0.000 2.086 55 W CB -0.357 29.087 29.460 -0.026 0.000 1.125 55 W HN -0.071 nan 8.180 nan 0.000 0.721 56 T N 1.050 115.711 114.554 0.179 0.000 2.791 56 T HA 0.678 5.028 4.350 0.000 0.000 0.288 56 T C 0.003 174.770 174.700 0.112 0.000 0.999 56 T CA -0.313 61.859 62.100 0.121 0.000 0.952 56 T CB 1.832 70.777 68.868 0.128 0.000 0.938 56 T HN -0.050 nan 8.240 nan 0.000 0.444 57 A N 3.093 125.965 122.820 0.086 0.000 2.306 57 A HA 0.757 5.078 4.320 0.000 0.000 0.314 57 A C 0.283 178.010 177.584 0.237 0.000 1.164 57 A CA -0.615 51.517 52.037 0.158 0.000 0.822 57 A CB 0.596 19.602 19.000 0.009 0.000 1.130 57 A HN 0.674 nan 8.150 nan 0.000 0.496 58 T N 2.936 117.670 114.554 0.301 0.000 2.823 58 T HA 0.579 4.929 4.350 0.000 0.000 0.279 58 T C -0.305 174.572 174.700 0.295 0.000 0.998 58 T CA -0.066 62.185 62.100 0.252 0.000 0.994 58 T CB 0.785 69.749 68.868 0.161 0.000 0.960 58 T HN 0.585 nan 8.240 nan 0.000 0.448 59 M N 3.367 123.130 119.600 0.272 0.000 2.181 59 M HA 0.369 4.849 4.480 0.000 0.000 0.323 59 M C -0.287 176.078 176.300 0.107 0.000 1.004 59 M CA -0.889 54.544 55.300 0.222 0.000 0.941 59 M CB 1.294 34.109 32.600 0.359 0.000 1.579 59 M HN 0.367 nan 8.290 nan 0.000 0.427 60 N N 3.225 121.943 118.700 0.030 0.000 2.421 60 N HA 0.154 4.894 4.740 0.000 0.000 0.260 60 N C -0.949 174.541 175.510 -0.033 0.000 1.173 60 N CA 0.087 53.137 53.050 -0.000 0.000 0.960 60 N CB 0.552 39.022 38.487 -0.028 0.000 1.273 60 N HN 0.351 nan 8.380 nan 0.000 0.497 61 V N 3.070 122.939 119.914 -0.075 0.000 2.383 61 V HA 0.148 4.269 4.120 0.000 0.000 0.275 61 V C 0.437 176.364 176.094 -0.279 0.000 1.036 61 V CA -0.892 61.256 62.300 -0.254 0.000 0.889 61 V CB 0.906 32.397 31.823 -0.552 0.000 0.985 61 V HN 0.467 nan 8.190 nan 0.000 0.459 62 N N 4.603 123.159 118.700 -0.241 0.000 2.411 62 N HA 0.351 5.091 4.740 0.000 0.000 0.259 62 N C -0.843 174.527 175.510 -0.234 0.000 1.103 62 N CA 0.055 53.020 53.050 -0.141 0.000 0.954 62 N CB 0.921 39.371 38.487 -0.062 0.000 1.085 62 N HN 0.439 nan 8.380 nan 0.000 0.485 63 F N 1.117 121.071 119.950 0.006 0.000 2.408 63 F HA 0.274 4.801 4.527 0.000 0.000 0.344 63 F C 0.645 176.590 175.800 0.241 0.000 1.112 63 F CA -0.588 57.457 58.000 0.076 0.000 1.096 63 F CB 1.226 40.239 39.000 0.022 0.000 1.129 63 F HN 0.196 nan 8.300 nan 0.000 0.486 64 D N 2.573 123.227 120.400 0.423 0.000 2.350 64 D HA 0.255 4.895 4.640 0.000 0.000 0.245 64 D C -0.135 176.282 176.300 0.195 0.000 1.036 64 D CA -0.703 53.492 54.000 0.326 0.000 0.848 64 D CB 1.602 42.485 40.800 0.138 0.000 1.307 64 D HN 0.237 nan 8.370 nan 0.000 0.469 65 R N 1.892 122.330 120.500 -0.102 0.000 2.404 65 R HA 0.151 4.492 4.340 0.000 0.000 0.315 65 R C 1.342 177.553 176.300 -0.149 0.000 1.032 65 R CA -0.071 55.790 56.100 -0.399 0.000 0.992 65 R CB 0.517 30.501 30.300 -0.528 0.000 0.959 65 R HN 0.537 nan 8.270 nan 0.000 0.428 66 I N 2.052 122.563 120.570 -0.099 0.000 2.194 66 I HA -0.360 3.810 4.170 0.000 0.000 0.246 66 I C 1.973 178.057 176.117 -0.056 0.000 1.093 66 I CA 1.732 63.005 61.300 -0.045 0.000 1.355 66 I CB -0.212 37.772 38.000 -0.027 0.000 1.046 66 I HN 0.622 nan 8.210 nan 0.000 0.413 67 D N -0.429 119.924 120.400 -0.079 0.000 2.323 67 D HA -0.125 4.515 4.640 0.000 0.000 0.209 67 D C 0.702 176.961 176.300 -0.068 0.000 0.973 67 D CA 0.618 54.575 54.000 -0.071 0.000 0.874 67 D CB -0.202 40.550 40.800 -0.081 0.000 0.930 67 D HN 0.247 nan 8.370 nan 0.000 0.521 68 N N 0.225 118.876 118.700 -0.082 0.000 2.722 68 N HA 0.195 4.935 4.740 0.000 0.000 0.242 68 N C -2.470 173.012 175.510 -0.046 0.000 1.398 68 N CA -1.474 51.541 53.050 -0.058 0.000 0.755 68 N CB 1.730 40.182 38.487 -0.057 0.000 1.268 68 N HN -0.234 nan 8.380 nan 0.000 0.522 69 P HA -0.026 nan 4.420 nan 0.000 0.230 69 P C 1.199 178.517 177.300 0.030 0.000 1.158 69 P CA 0.722 63.826 63.100 0.006 0.000 0.769 69 P CB 0.236 31.940 31.700 0.007 0.000 0.807 70 S N -0.840 114.872 115.700 0.020 0.000 2.447 70 S HA -0.053 4.417 4.470 0.000 0.000 0.233 70 S C 0.925 175.558 174.600 0.056 0.000 1.006 70 S CA 0.400 58.619 58.200 0.032 0.000 0.957 70 S CB -1.155 62.057 63.200 0.020 0.000 0.773 70 S HN 0.077 nan 8.310 nan 0.000 0.507 71 I N 2.073 122.679 120.570 0.060 0.000 2.379 71 I HA 0.329 4.499 4.170 0.000 0.000 0.290 71 I C 0.258 176.527 176.117 0.254 0.000 1.063 71 I CA 0.003 61.374 61.300 0.118 0.000 1.351 71 I CB 1.055 39.094 38.000 0.065 0.000 1.410 71 I HN 0.111 nan 8.210 nan 0.000 0.505 72 T N 5.519 120.235 114.554 0.270 0.000 2.916 72 T HA 0.667 5.018 4.350 0.000 0.000 0.305 72 T C -1.388 173.405 174.700 0.156 0.000 1.119 72 T CA -0.476 61.792 62.100 0.280 0.000 1.008 72 T CB 1.991 70.948 68.868 0.148 0.000 1.129 72 T HN 0.327 nan 8.240 nan 0.000 0.480 73 V N 3.428 123.369 119.914 0.045 0.000 3.012 73 V HA 0.661 4.781 4.120 0.000 0.000 0.307 73 V C -1.438 174.612 176.094 -0.073 0.000 1.166 73 V CA -0.560 61.678 62.300 -0.104 0.000 0.974 73 V CB 2.307 33.971 31.823 -0.266 0.000 1.040 73 V HN 0.975 nan 8.190 nan 0.000 0.428 74 Q N 2.825 122.501 119.800 -0.207 0.000 2.342 74 Q HA 0.632 4.972 4.340 0.000 0.000 0.267 74 Q C -1.768 173.987 176.000 -0.409 0.000 1.038 74 Q CA -0.594 55.117 55.803 -0.154 0.000 0.832 74 Q CB 1.795 30.469 28.738 -0.107 0.000 1.323 74 Q HN 0.939 nan 8.270 nan 0.000 0.448 75 H N 2.082 121.234 119.070 0.136 0.000 2.894 75 H HA 0.368 4.924 4.556 0.000 0.000 0.367 75 H C -2.449 172.918 175.328 0.065 0.000 1.144 75 H CA -1.768 54.327 56.048 0.078 0.000 1.180 75 H CB 1.949 31.718 29.762 0.012 0.000 1.758 75 H HN 0.475 nan 8.280 nan 0.000 0.541 76 P HA 0.047 nan 4.420 nan 0.000 0.276 76 P C -0.701 176.698 177.300 0.165 0.000 1.235 76 P CA -0.146 63.036 63.100 0.136 0.000 0.772 76 P CB 1.146 32.920 31.700 0.122 0.000 0.871 77 V N 4.961 124.957 119.914 0.137 0.000 2.409 77 V HA 0.236 4.356 4.120 0.000 0.000 0.291 77 V C 0.420 176.661 176.094 0.244 0.000 1.020 77 V CA -0.526 61.873 62.300 0.165 0.000 0.848 77 V CB 1.451 33.248 31.823 -0.043 0.000 0.990 77 V HN 0.477 nan 8.190 nan 0.000 0.430 78 Q N 2.952 122.910 119.800 0.263 0.000 2.243 78 Q HA 0.628 4.968 4.340 0.000 0.000 0.252 78 Q C -1.089 175.083 176.000 0.286 0.000 0.909 78 Q CA -0.493 55.457 55.803 0.246 0.000 0.922 78 Q CB 2.405 31.263 28.738 0.201 0.000 1.215 78 Q HN 0.571 nan 8.270 nan 0.000 0.427 79 V N 3.162 123.220 119.914 0.240 0.000 2.409 79 V HA 0.268 4.388 4.120 0.000 0.000 0.290 79 V C -0.637 175.490 176.094 0.054 0.000 1.017 79 V CA -0.604 61.821 62.300 0.207 0.000 0.841 79 V CB 1.493 33.419 31.823 0.171 0.000 1.003 79 V HN 0.704 nan 8.190 nan 0.000 0.426 80 Q N 3.778 123.634 119.800 0.094 0.000 2.310 80 Q HA 0.572 4.912 4.340 0.000 0.000 0.270 80 Q C -1.364 174.677 176.000 0.069 0.000 1.025 80 Q CA -0.558 55.290 55.803 0.075 0.000 0.772 80 Q CB 2.392 31.223 28.738 0.156 0.000 1.253 80 Q HN 0.553 nan 8.270 nan 0.000 0.450 81 V N 4.028 123.913 119.914 -0.049 0.000 2.479 81 V HA 0.039 4.159 4.120 0.000 0.000 0.281 81 V C 1.301 177.597 176.094 0.336 0.000 1.031 81 V CA 0.893 63.205 62.300 0.020 0.000 1.038 81 V CB 0.875 32.521 31.823 -0.295 0.000 0.981 81 V HN 1.038 nan 8.190 nan 0.000 0.478 82 T N 0.293 115.068 114.554 0.368 0.000 3.040 82 T HA 0.139 4.490 4.350 0.000 0.000 0.252 82 T C 0.727 175.692 174.700 0.442 0.000 1.064 82 T CA 0.455 62.801 62.100 0.410 0.000 1.110 82 T CB 0.404 69.518 68.868 0.410 0.000 0.921 82 T HN 0.575 nan 8.240 nan 0.000 0.480 83 S N -0.441 115.508 115.700 0.416 0.000 2.649 83 S HA 0.430 4.901 4.470 0.000 0.000 0.274 83 S C -0.348 174.452 174.600 0.333 0.000 1.176 83 S CA -0.882 57.566 58.200 0.414 0.000 0.988 83 S CB 1.215 64.623 63.200 0.347 0.000 1.071 83 S HN 0.284 nan 8.310 nan 0.000 0.478 84 Y N 5.498 125.913 120.300 0.192 0.000 2.153 84 Y HA -0.005 4.545 4.550 0.000 0.000 0.289 84 Y C 1.862 177.838 175.900 0.126 0.000 1.127 84 Y CA 2.109 60.241 58.100 0.054 0.000 1.131 84 Y CB -0.191 38.247 38.460 -0.037 0.000 0.995 84 Y HN 0.717 nan 8.280 nan 0.000 0.505 85 N N 0.462 119.344 118.700 0.302 0.000 2.223 85 N HA -0.171 4.570 4.740 0.000 0.000 0.185 85 N C 0.682 176.279 175.510 0.145 0.000 1.016 85 N CA 1.468 54.635 53.050 0.196 0.000 0.863 85 N CB -0.416 38.218 38.487 0.245 0.000 0.983 85 N HN 0.518 nan 8.380 nan 0.000 0.429 86 N N 1.060 119.877 118.700 0.194 0.000 2.230 86 N HA 0.044 4.784 4.740 0.000 0.000 0.202 86 N C -0.650 175.007 175.510 0.246 0.000 1.119 86 N CA -0.040 53.135 53.050 0.208 0.000 0.851 86 N CB 0.212 38.834 38.487 0.225 0.000 0.990 86 N HN 0.088 nan 8.380 nan 0.000 0.497 87 N N 1.279 120.108 118.700 0.215 0.000 2.727 87 N HA -0.133 4.607 4.740 0.000 0.000 0.251 87 N C -0.933 174.833 175.510 0.426 0.000 1.040 87 N CA 0.822 54.035 53.050 0.272 0.000 0.712 87 N CB -1.421 37.272 38.487 0.343 0.000 0.912 87 N HN 0.369 nan 8.380 nan 0.000 0.545 88 S N -0.548 115.401 115.700 0.415 0.000 2.536 88 S HA 0.827 5.297 4.470 0.000 0.000 0.287 88 S C -0.600 174.311 174.600 0.519 0.000 1.101 88 S CA -0.887 57.604 58.200 0.485 0.000 0.950 88 S CB 2.698 66.138 63.200 0.400 0.000 1.056 88 S HN 0.405 nan 8.310 nan 0.000 0.481 89 Y N -0.020 120.531 120.300 0.419 0.000 2.715 89 Y HA 0.828 5.379 4.550 0.000 0.000 0.331 89 Y C -0.809 175.253 175.900 0.270 0.000 1.197 89 Y CA -1.324 56.936 58.100 0.268 0.000 1.079 89 Y CB 1.243 39.800 38.460 0.162 0.000 1.298 89 Y HN 0.999 nan 8.280 nan 0.000 0.477 90 R N 1.434 122.079 120.500 0.242 0.000 2.651 90 R HA 0.782 5.122 4.340 0.000 0.000 0.278 90 R C -2.510 173.935 176.300 0.242 0.000 1.010 90 R CA -0.822 55.279 56.100 0.003 0.000 0.896 90 R CB 2.459 32.638 30.300 -0.202 0.000 1.211 90 R HN 0.733 nan 8.270 nan 0.000 0.456 91 V N 4.130 124.201 119.914 0.262 0.000 2.487 91 V HA 0.595 4.715 4.120 0.000 0.000 0.298 91 V C -0.485 175.876 176.094 0.446 0.000 1.028 91 V CA -0.734 61.836 62.300 0.449 0.000 0.860 91 V CB 1.645 33.848 31.823 0.633 0.000 0.991 91 V HN 0.781 nan 8.190 nan 0.000 0.427 92 R N 4.659 125.401 120.500 0.403 0.000 2.604 92 R HA 0.779 5.119 4.340 0.000 0.000 0.281 92 R C -1.757 174.778 176.300 0.392 0.000 1.020 92 R CA -0.444 55.874 56.100 0.364 0.000 0.899 92 R CB 2.041 32.475 30.300 0.223 0.000 1.205 92 R HN 0.679 nan 8.270 nan 0.000 0.450 93 F N 0.718 120.766 119.950 0.162 0.000 2.741 93 F HA 0.555 5.082 4.527 0.001 0.000 0.313 93 F C -1.893 173.892 175.800 -0.025 0.000 1.153 93 F CA -1.184 56.830 58.000 0.024 0.000 0.931 93 F CB 1.559 40.520 39.000 -0.065 0.000 1.335 93 F HN 0.413 nan 8.300 nan 0.000 0.460 94 N N 1.892 120.599 118.700 0.011 0.000 2.540 94 N HA 0.478 5.218 4.740 0.000 0.000 0.275 94 N C -2.339 172.968 175.510 -0.338 0.000 1.053 94 N CA -2.541 50.397 53.050 -0.187 0.000 0.876 94 N CB 2.231 40.665 38.487 -0.089 0.000 1.284 94 N HN 0.399 nan 8.380 nan 0.000 0.518 95 P HA 0.054 nan 4.420 nan 0.000 0.233 95 P C -0.298 176.589 177.300 -0.687 0.000 1.167 95 P CA 0.908 63.280 63.100 -1.214 0.000 0.770 95 P CB 0.620 31.380 31.700 -1.566 0.000 0.837 96 D N -0.782 119.401 120.400 -0.363 0.000 2.407 96 D HA 0.231 4.871 4.640 0.000 0.000 0.208 96 D C 1.289 177.530 176.300 -0.099 0.000 1.083 96 D CA 0.535 54.422 54.000 -0.188 0.000 0.844 96 D CB 1.419 42.133 40.800 -0.144 0.000 0.967 96 D HN 0.212 nan 8.370 nan 0.000 0.506 97 G N 1.240 109.988 108.800 -0.086 0.000 2.325 97 G HA2 0.205 4.166 3.960 0.000 0.000 0.295 97 G HA3 0.205 4.166 3.960 0.000 0.000 0.295 97 G C -2.960 171.931 174.900 -0.015 0.000 1.274 97 G CA -0.797 44.284 45.100 -0.031 0.000 0.857 97 G HN -0.264 nan 8.290 nan 0.000 0.499 98 P HA 0.329 nan 4.420 nan 0.000 0.269 98 P C -0.018 177.275 177.300 -0.012 0.000 1.209 98 P CA -0.015 63.085 63.100 0.000 0.000 0.776 98 P CB 0.822 32.515 31.700 -0.012 0.000 0.876 99 I N 3.376 123.959 120.570 0.022 0.000 2.618 99 I HA 0.064 4.234 4.170 0.000 0.000 0.284 99 I C 1.389 177.513 176.117 0.013 0.000 1.146 99 I CA 0.351 61.671 61.300 0.035 0.000 1.425 99 I CB 0.010 38.058 38.000 0.081 0.000 1.383 99 I HN 0.352 nan 8.210 nan 0.000 0.562 100 R N 4.245 124.752 120.500 0.012 0.000 2.725 100 R HA 0.481 4.821 4.340 0.000 0.000 0.277 100 R C -1.641 174.754 176.300 0.160 0.000 0.987 100 R CA -1.029 55.077 56.100 0.011 0.000 0.901 100 R CB 1.483 31.678 30.300 -0.174 0.000 1.207 100 R HN 0.314 nan 8.270 nan 0.000 0.463 101 D N 2.650 123.138 120.400 0.148 0.000 2.351 101 D HA 0.106 4.746 4.640 0.000 0.000 0.251 101 D C 0.759 177.217 176.300 0.262 0.000 1.137 101 D CA -0.204 53.897 54.000 0.168 0.000 0.879 101 D CB 1.670 42.526 40.800 0.093 0.000 1.181 101 D HN 0.449 nan 8.370 nan 0.000 0.448 102 V N 0.876 120.873 119.914 0.137 0.000 2.872 102 V HA 0.098 4.219 4.120 0.000 0.000 0.307 102 V C 1.421 177.498 176.094 -0.028 0.000 1.072 102 V CA 0.105 62.330 62.300 -0.124 0.000 1.148 102 V CB 0.717 32.377 31.823 -0.272 0.000 0.954 102 V HN 0.716 nan 8.190 nan 0.000 0.490 103 T N 0.582 115.108 114.554 -0.046 0.000 3.057 103 T HA 0.191 4.541 4.350 0.000 0.000 0.254 103 T C 0.726 175.431 174.700 0.009 0.000 1.094 103 T CA 0.441 62.549 62.100 0.013 0.000 1.088 103 T CB -0.060 68.839 68.868 0.052 0.000 0.934 103 T HN 0.875 nan 8.240 nan 0.000 0.497 104 R N 0.003 120.479 120.500 -0.039 0.000 2.575 104 R HA 0.607 4.948 4.340 0.000 0.000 0.293 104 R C -0.618 175.656 176.300 -0.044 0.000 0.983 104 R CA -0.049 56.067 56.100 0.026 0.000 0.887 104 R CB 1.511 31.838 30.300 0.046 0.000 1.184 104 R HN 0.414 nan 8.270 nan 0.000 0.445 105 G N 3.377 112.199 108.800 0.037 0.000 2.368 105 G HA2 0.007 3.967 3.960 0.000 0.000 0.302 105 G HA3 0.007 3.967 3.960 0.000 0.000 0.302 105 G C -2.611 172.319 174.900 0.049 0.000 1.329 105 G CA -0.735 44.288 45.100 -0.128 0.000 0.935 105 G HN 0.392 nan 8.290 nan 0.000 0.590 106 P HA 0.117 nan 4.420 nan 0.000 0.219 106 P C 0.671 177.939 177.300 -0.054 0.000 1.150 106 P CA 0.959 64.035 63.100 -0.040 0.000 0.814 106 P CB 0.301 31.876 31.700 -0.209 0.000 0.787 107 I N 0.910 121.499 120.570 0.032 0.000 2.354 107 I HA 0.305 4.475 4.170 0.000 0.000 0.286 107 I C 0.200 176.347 176.117 0.051 0.000 1.007 107 I CA -0.894 60.435 61.300 0.049 0.000 1.167 107 I CB 1.207 39.288 38.000 0.136 0.000 1.320 107 I HN -0.146 nan 8.210 nan 0.000 0.458 108 L N 5.544 126.768 121.223 0.001 0.000 2.346 108 L HA 0.448 4.788 4.340 0.000 0.000 0.274 108 L C 1.527 178.350 176.870 -0.079 0.000 1.007 108 L CA -0.698 54.113 54.840 -0.048 0.000 0.818 108 L CB 2.455 44.442 42.059 -0.119 0.000 1.284 108 L HN 0.537 nan 8.230 nan 0.000 0.424 109 K N 1.343 121.707 120.400 -0.061 0.000 2.074 109 K HA -0.252 4.068 4.320 0.000 0.000 0.209 109 K C 1.518 178.033 176.600 -0.142 0.000 1.048 109 K CA 2.108 58.364 56.287 -0.052 0.000 0.926 109 K CB 0.197 32.683 32.500 -0.024 0.000 0.713 109 K HN 0.642 nan 8.250 nan 0.000 0.444 110 Q N 0.299 119.901 119.800 -0.330 0.000 2.135 110 Q HA -0.230 4.110 4.340 0.000 0.000 0.204 110 Q C 2.059 177.768 176.000 -0.486 0.000 0.981 110 Q CA 1.934 57.422 55.803 -0.525 0.000 0.856 110 Q CB -0.222 27.892 28.738 -1.039 0.000 0.902 110 Q HN 0.348 nan 8.270 nan 0.000 0.425 111 Q N 0.416 119.912 119.800 -0.508 0.000 2.083 111 Q HA -0.018 4.322 4.340 0.000 0.000 0.198 111 Q C 1.758 177.842 176.000 0.141 0.000 0.969 111 Q CA 1.183 56.953 55.803 -0.054 0.000 0.838 111 Q CB -0.128 28.627 28.738 0.027 0.000 0.900 111 Q HN 0.447 nan 8.270 nan 0.000 0.436 112 L N 0.440 121.709 121.223 0.076 0.000 2.083 112 L HA -0.193 4.147 4.340 0.000 0.000 0.209 112 L C 1.820 178.756 176.870 0.110 0.000 1.083 112 L CA 1.331 56.254 54.840 0.139 0.000 0.752 112 L CB -0.570 41.572 42.059 0.139 0.000 0.899 112 L HN 0.242 nan 8.230 nan 0.000 0.433 113 D N -0.734 119.699 120.400 0.056 0.000 2.123 113 D HA -0.240 4.400 4.640 0.000 0.000 0.196 113 D C 1.688 178.023 176.300 0.058 0.000 0.992 113 D CA 1.171 55.182 54.000 0.019 0.000 0.833 113 D CB -0.264 40.538 40.800 0.003 0.000 0.954 113 D HN 0.397 nan 8.370 nan 0.000 0.455 114 W N 1.446 122.741 121.300 -0.009 0.000 2.354 114 W HA -0.135 4.526 4.660 0.001 0.000 0.315 114 W C 2.166 178.706 176.519 0.035 0.000 1.206 114 W CA 1.292 58.661 57.345 0.041 0.000 1.290 114 W CB -0.396 29.141 29.460 0.128 0.000 1.152 114 W HN -0.122 nan 8.180 nan 0.000 0.489 115 I N 0.346 121.125 120.570 0.349 0.000 2.163 115 I HA -0.360 3.810 4.170 0.000 0.000 0.243 115 I C 2.721 178.806 176.117 -0.054 0.000 1.085 115 I CA 1.915 63.330 61.300 0.191 0.000 1.347 115 I CB -0.781 37.418 38.000 0.333 0.000 1.044 115 I HN 0.026 nan 8.210 nan 0.000 0.408 116 R N 0.509 120.943 120.500 -0.111 0.000 2.075 116 R HA -0.149 4.192 4.340 0.000 0.000 0.232 116 R C 2.323 178.343 176.300 -0.466 0.000 1.126 116 R CA 2.058 57.907 56.100 -0.419 0.000 0.963 116 R CB -0.284 29.680 30.300 -0.561 0.000 0.858 116 R HN 0.273 nan 8.270 nan 0.000 0.435 117 T N 1.305 115.641 114.554 -0.363 0.000 2.652 117 T HA -0.175 4.176 4.350 0.000 0.000 0.267 117 T C 1.780 176.272 174.700 -0.347 0.000 1.039 117 T CA 1.256 63.154 62.100 -0.336 0.000 1.153 117 T CB -0.218 68.477 68.868 -0.289 0.000 0.863 117 T HN 0.279 nan 8.240 nan 0.000 0.428 118 Q N 1.013 120.520 119.800 -0.488 0.000 2.045 118 Q HA -0.152 4.188 4.340 0.000 0.000 0.206 118 Q C 2.339 178.217 176.000 -0.204 0.000 0.991 118 Q CA 1.645 57.184 55.803 -0.440 0.000 0.851 118 Q CB -0.398 27.924 28.738 -0.693 0.000 0.911 118 Q HN 0.675 nan 8.270 nan 0.000 0.418 119 E N 0.168 120.293 120.200 -0.124 0.000 2.150 119 E HA -0.089 4.261 4.350 0.000 0.000 0.193 119 E C 2.210 178.835 176.600 0.040 0.000 0.985 119 E CA 0.372 56.804 56.400 0.052 0.000 0.814 119 E CB -0.044 29.825 29.700 0.281 0.000 0.752 119 E HN 0.273 nan 8.360 nan 0.000 0.466 120 L N 0.988 122.164 121.223 -0.079 0.000 2.141 120 L HA -0.153 4.187 4.340 0.000 0.000 0.209 120 L C 2.659 179.496 176.870 -0.056 0.000 1.094 120 L CA 1.261 56.061 54.840 -0.067 0.000 0.763 120 L CB -0.391 41.551 42.059 -0.194 0.000 0.908 120 L HN 0.195 nan 8.230 nan 0.000 0.437 121 S N -1.105 114.545 115.700 -0.084 0.000 2.489 121 S HA -0.122 4.348 4.470 0.000 0.000 0.228 121 S C 1.517 176.097 174.600 -0.033 0.000 0.995 121 S CA 0.612 58.774 58.200 -0.063 0.000 0.934 121 S CB -0.148 63.002 63.200 -0.084 0.000 0.771 121 S HN 0.480 nan 8.310 nan 0.000 0.522 122 E N 0.619 120.807 120.200 -0.020 0.000 2.478 122 E HA 0.278 4.628 4.350 0.000 0.000 0.194 122 E C 1.132 177.734 176.600 0.003 0.000 1.045 122 E CA 0.227 56.630 56.400 0.005 0.000 0.868 122 E CB -0.003 29.715 29.700 0.031 0.000 0.885 122 E HN 0.707 nan 8.360 nan 0.000 0.505 123 G N 1.068 109.863 108.800 -0.008 0.000 2.131 123 G HA2 -0.273 3.687 3.960 0.000 0.000 0.223 123 G HA3 -0.273 3.687 3.960 0.000 0.000 0.223 123 G C 0.251 175.103 174.900 -0.080 0.000 0.990 123 G CA -0.206 44.879 45.100 -0.024 0.000 0.671 123 G HN 0.286 nan 8.290 nan 0.000 0.521 124 C N 0.922 120.170 119.300 -0.087 0.000 2.648 124 C HA 0.519 4.979 4.460 0.000 0.000 0.419 124 C C 0.435 175.246 174.990 -0.299 0.000 1.352 124 C CA 0.148 58.949 59.018 -0.362 0.000 1.816 124 C CB 0.726 28.377 27.740 -0.147 0.000 2.598 124 C HN 0.502 nan 8.230 nan 0.000 0.598 125 D N 3.077 123.085 120.400 -0.654 0.000 2.479 125 D HA 0.322 4.963 4.640 0.000 0.000 0.246 125 D C -1.839 174.232 176.300 -0.381 0.000 1.336 125 D CA -1.391 52.405 54.000 -0.340 0.000 0.967 125 D CB 1.565 42.271 40.800 -0.156 0.000 1.275 125 D HN 0.167 nan 8.370 nan 0.000 0.577 126 P HA 0.162 nan 4.420 nan 0.000 0.225 126 P C 0.690 177.926 177.300 -0.106 0.000 1.156 126 P CA 0.503 63.465 63.100 -0.230 0.000 0.787 126 P CB 0.294 31.619 31.700 -0.624 0.000 0.802 127 G N 0.290 109.017 108.800 -0.122 0.000 2.366 127 G HA2 -0.297 3.663 3.960 0.000 0.000 0.299 127 G HA3 -0.297 3.663 3.960 0.000 0.000 0.299 127 G C 0.037 174.904 174.900 -0.054 0.000 1.020 127 G CA -0.060 45.004 45.100 -0.060 0.000 1.026 127 G HN 0.228 nan 8.290 nan 0.000 0.512 128 M N 0.281 119.833 119.600 -0.081 0.000 2.238 128 M HA 0.446 4.926 4.480 0.000 0.000 0.350 128 M C 0.648 176.887 176.300 -0.102 0.000 1.321 128 M CA 0.821 56.065 55.300 -0.095 0.000 1.097 128 M CB 1.036 33.543 32.600 -0.155 0.000 1.713 128 M HN 0.324 nan 8.290 nan 0.000 0.455 129 T N 2.830 117.283 114.554 -0.168 0.000 2.885 129 T HA 0.570 4.920 4.350 0.000 0.000 0.322 129 T C -1.680 172.877 174.700 -0.238 0.000 1.387 129 T CA -0.684 61.341 62.100 -0.126 0.000 1.041 129 T CB 0.860 69.708 68.868 -0.034 0.000 1.287 129 T HN 0.364 nan 8.240 nan 0.000 0.491 130 F N 3.151 123.100 119.950 -0.000 0.000 2.408 130 F HA 0.456 4.983 4.527 0.000 0.000 0.344 130 F C 1.626 177.405 175.800 -0.035 0.000 1.112 130 F CA -0.393 57.601 58.000 -0.010 0.000 1.096 130 F CB 1.607 40.602 39.000 -0.009 0.000 1.129 130 F HN 0.667 nan 8.300 nan 0.000 0.486 131 T N -1.374 113.246 114.554 0.109 0.000 2.726 131 T HA 0.114 4.464 4.350 0.000 0.000 0.294 131 T C 1.383 176.049 174.700 -0.057 0.000 1.013 131 T CA -0.120 61.980 62.100 0.001 0.000 0.996 131 T CB 1.008 69.853 68.868 -0.039 0.000 1.016 131 T HN 0.643 nan 8.240 nan 0.000 0.529 132 S N -0.101 115.539 115.700 -0.100 0.000 2.419 132 S HA -0.118 4.353 4.470 0.000 0.000 0.233 132 S C 1.414 175.894 174.600 -0.200 0.000 1.016 132 S CA 0.964 59.096 58.200 -0.114 0.000 0.974 132 S CB -0.697 62.450 63.200 -0.089 0.000 0.786 132 S HN 0.813 nan 8.310 nan 0.000 0.492 133 E N 1.103 121.073 120.200 -0.384 0.000 2.502 133 E HA 0.341 4.692 4.350 0.000 0.000 0.194 133 E C 1.418 177.690 176.600 -0.547 0.000 1.062 133 E CA 0.503 56.536 56.400 -0.612 0.000 0.867 133 E CB -0.399 28.566 29.700 -1.225 0.000 0.888 133 E HN 0.667 nan 8.360 nan 0.000 0.510 134 G N 0.021 108.645 108.800 -0.293 0.000 2.175 134 G HA2 -0.262 3.698 3.960 0.000 0.000 0.244 134 G HA3 -0.262 3.698 3.960 0.000 0.000 0.244 134 G C -0.088 174.972 174.900 0.268 0.000 0.982 134 G CA -0.265 44.823 45.100 -0.019 0.000 0.641 134 G HN 0.142 nan 8.290 nan 0.000 0.527 135 F N 0.119 120.156 119.950 0.145 0.000 2.506 135 F HA 0.633 5.160 4.527 0.000 0.000 0.351 135 F C 0.690 176.481 175.800 -0.014 0.000 1.136 135 F CA -1.653 56.370 58.000 0.039 0.000 1.298 135 F CB 0.682 39.642 39.000 -0.067 0.000 1.145 135 F HN 0.101 nan 8.300 nan 0.000 0.593 136 L N 2.047 123.275 121.223 0.008 0.000 2.289 136 L HA 0.587 4.927 4.340 0.000 0.000 0.285 136 L C -0.156 176.534 176.870 -0.300 0.000 1.049 136 L CA 0.196 54.842 54.840 -0.323 0.000 0.804 136 L CB 1.384 43.213 42.059 -0.384 0.000 1.195 136 L HN 0.669 nan 8.230 nan 0.000 0.428 137 T N 5.392 119.780 114.554 -0.277 0.000 2.886 137 T HA 0.793 5.144 4.350 0.000 0.000 0.292 137 T C -1.125 173.479 174.700 -0.160 0.000 1.012 137 T CA -0.292 61.636 62.100 -0.288 0.000 0.982 137 T CB 0.482 69.216 68.868 -0.223 0.000 1.018 137 T HN 0.524 nan 8.240 nan 0.000 0.451 138 F N 0.910 120.669 119.950 -0.318 0.000 2.741 138 F HA 0.834 5.361 4.527 0.000 0.000 0.313 138 F C -1.217 174.427 175.800 -0.260 0.000 1.153 138 F CA -1.146 56.684 58.000 -0.283 0.000 0.931 138 F CB 1.203 40.014 39.000 -0.314 0.000 1.335 138 F HN 0.454 nan 8.300 nan 0.000 0.460 139 E N 0.623 120.849 120.200 0.043 0.000 2.288 139 E HA 0.538 4.888 4.350 0.000 0.000 0.268 139 E C -0.932 175.711 176.600 0.072 0.000 0.885 139 E CA -1.014 55.363 56.400 -0.038 0.000 0.767 139 E CB 2.798 32.484 29.700 -0.022 0.000 1.220 139 E HN 0.837 nan 8.360 nan 0.000 0.427 140 T N -1.172 113.312 114.554 -0.116 0.000 2.864 140 T HA 0.239 4.590 4.350 0.000 0.000 0.276 140 T C 1.097 175.254 174.700 -0.905 0.000 1.006 140 T CA -0.591 61.254 62.100 -0.425 0.000 0.970 140 T CB 0.942 69.695 68.868 -0.193 0.000 1.420 140 T HN 0.441 nan 8.240 nan 0.000 0.601 141 K N 0.316 119.942 120.400 -1.290 0.000 2.063 141 K HA -0.116 4.204 4.320 0.000 0.000 0.208 141 K C 1.199 177.611 176.600 -0.313 0.000 1.048 141 K CA 2.076 57.862 56.287 -0.835 0.000 0.928 141 K CB -0.291 31.934 32.500 -0.458 0.000 0.713 141 K HN 0.594 nan 8.250 nan 0.000 0.442 142 D N -0.809 119.445 120.400 -0.244 0.000 2.469 142 D HA 0.172 4.812 4.640 0.000 0.000 0.213 142 D C -0.109 176.050 176.300 -0.236 0.000 1.135 142 D CA 0.099 54.003 54.000 -0.161 0.000 0.834 142 D CB 0.811 41.577 40.800 -0.057 0.000 1.009 142 D HN 0.150 nan 8.370 nan 0.000 0.507 143 L N 0.472 121.534 121.223 -0.268 0.000 2.333 143 L HA 0.436 4.776 4.340 0.000 0.000 0.263 143 L C -0.240 176.456 176.870 -0.290 0.000 1.014 143 L CA -0.796 53.862 54.840 -0.302 0.000 0.820 143 L CB 2.259 44.125 42.059 -0.321 0.000 1.352 143 L HN -0.205 nan 8.230 nan 0.000 0.421 144 S N 0.354 115.851 115.700 -0.338 0.000 2.526 144 S HA 0.841 5.311 4.470 0.000 0.000 0.293 144 S C -0.936 173.327 174.600 -0.563 0.000 1.092 144 S CA -0.734 57.223 58.200 -0.405 0.000 0.980 144 S CB 2.143 65.162 63.200 -0.302 0.000 1.048 144 S HN 0.245 nan 8.310 nan 0.000 0.483 145 V N 3.253 122.656 119.914 -0.852 0.000 2.604 145 V HA 0.610 4.730 4.120 0.000 0.000 0.305 145 V C -0.596 174.947 176.094 -0.918 0.000 1.043 145 V CA -0.730 60.949 62.300 -1.036 0.000 0.888 145 V CB 1.657 32.439 31.823 -1.735 0.000 0.995 145 V HN 0.993 nan 8.190 nan 0.000 0.429 146 I N 5.166 125.300 120.570 -0.727 0.000 2.509 146 I HA 0.615 4.785 4.170 0.000 0.000 0.293 146 I C -1.165 174.480 176.117 -0.787 0.000 1.020 146 I CA -0.563 60.304 61.300 -0.721 0.000 1.088 146 I CB 1.499 39.084 38.000 -0.691 0.000 1.267 146 I HN 0.551 nan 8.210 nan 0.000 0.430 147 I N 7.959 128.078 120.570 -0.752 0.000 2.439 147 I HA 0.291 4.461 4.170 0.000 0.000 0.283 147 I C -0.819 174.928 176.117 -0.617 0.000 1.023 147 I CA -0.528 60.358 61.300 -0.690 0.000 1.100 147 I CB 1.109 38.700 38.000 -0.681 0.000 1.238 147 I HN 0.507 nan 8.210 nan 0.000 0.445 148 Y N 3.390 123.443 120.300 -0.412 0.000 2.262 148 Y HA 0.226 4.776 4.550 0.000 0.000 0.368 148 Y C 1.841 177.699 175.900 -0.069 0.000 1.352 148 Y CA 0.406 58.208 58.100 -0.496 0.000 1.760 148 Y CB 0.173 38.246 38.460 -0.645 0.000 1.627 148 Y HN 0.591 nan 8.280 nan 0.000 0.606 149 G N 0.136 109.119 108.800 0.305 0.000 2.422 149 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 149 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 149 G C 0.956 175.959 174.900 0.171 0.000 1.146 149 G CA 1.003 46.286 45.100 0.304 0.000 0.769 149 G HN 0.657 nan 8.290 nan 0.000 0.547 150 N N -1.384 117.395 118.700 0.131 0.000 2.268 150 N HA 0.100 4.841 4.740 0.000 0.000 0.204 150 N C 0.616 176.241 175.510 0.192 0.000 1.124 150 N CA -0.684 52.424 53.050 0.097 0.000 0.838 150 N CB -0.233 38.285 38.487 0.052 0.000 0.994 150 N HN 0.247 nan 8.380 nan 0.000 0.489 151 F N -0.529 119.425 119.950 0.006 0.000 2.699 151 F HA -0.264 4.264 4.527 0.000 0.000 0.343 151 F C 0.268 176.082 175.800 0.023 0.000 0.633 151 F CA 0.321 58.323 58.000 0.005 0.000 1.365 151 F CB -1.257 37.728 39.000 -0.024 0.000 1.795 151 F HN 0.114 nan 8.300 nan 0.000 0.304 152 K N 2.189 122.658 120.400 0.116 0.000 2.472 152 K HA 0.289 4.610 4.320 0.000 0.000 0.280 152 K C -0.335 176.258 176.600 -0.012 0.000 1.028 152 K CA 0.991 57.332 56.287 0.091 0.000 1.045 152 K CB 0.516 33.075 32.500 0.098 0.000 0.902 152 K HN 0.175 nan 8.250 nan 0.000 0.478 153 T N 6.045 120.568 114.554 -0.052 0.000 2.841 153 T HA 0.505 4.855 4.350 0.000 0.000 0.283 153 T C -0.754 173.842 174.700 -0.173 0.000 1.000 153 T CA -0.794 61.187 62.100 -0.199 0.000 0.977 153 T CB 0.925 69.688 68.868 -0.175 0.000 0.979 153 T HN 0.547 nan 8.240 nan 0.000 0.446 154 R N 1.552 121.885 120.500 -0.278 0.000 2.513 154 R HA 0.669 5.009 4.340 0.000 0.000 0.301 154 R C -1.346 174.732 176.300 -0.370 0.000 0.968 154 R CA -0.757 55.195 56.100 -0.247 0.000 0.872 154 R CB 2.085 32.286 30.300 -0.166 0.000 1.177 154 R HN 0.360 nan 8.270 nan 0.000 0.444 155 V N 2.649 122.346 119.914 -0.361 0.000 2.384 155 V HA 0.407 4.527 4.120 0.000 0.000 0.287 155 V C -0.173 175.712 176.094 -0.347 0.000 1.020 155 V CA -0.522 61.512 62.300 -0.442 0.000 0.850 155 V CB 1.788 33.274 31.823 -0.563 0.000 0.987 155 V HN 0.762 nan 8.190 nan 0.000 0.436 156 T N 4.866 119.213 114.554 -0.345 0.000 2.829 156 T HA 0.460 4.811 4.350 0.000 0.000 0.280 156 T C -0.107 174.424 174.700 -0.282 0.000 0.999 156 T CA -0.588 61.345 62.100 -0.280 0.000 0.983 156 T CB 1.470 70.193 68.868 -0.241 0.000 0.968 156 T HN 0.645 nan 8.240 nan 0.000 0.446 157 R N 2.147 122.500 120.500 -0.245 0.000 2.267 157 R HA 0.222 4.562 4.340 0.000 0.000 0.319 157 R C 1.142 177.343 176.300 -0.165 0.000 1.067 157 R CA -0.244 55.721 56.100 -0.226 0.000 0.936 157 R CB 0.345 30.552 30.300 -0.155 0.000 1.006 157 R HN 0.621 nan 8.270 nan 0.000 0.452 158 K N 1.229 121.533 120.400 -0.159 0.000 2.063 158 K HA -0.174 4.146 4.320 0.000 0.000 0.208 158 K C 1.927 178.478 176.600 -0.082 0.000 1.048 158 K CA 2.136 58.352 56.287 -0.119 0.000 0.928 158 K CB 0.020 32.455 32.500 -0.109 0.000 0.713 158 K HN 0.713 nan 8.250 nan 0.000 0.442 159 S N 1.499 117.161 115.700 -0.063 0.000 2.382 159 S HA -0.146 4.324 4.470 0.000 0.000 0.228 159 S C 1.383 175.962 174.600 -0.036 0.000 1.027 159 S CA 1.625 59.803 58.200 -0.037 0.000 0.991 159 S CB -0.214 62.977 63.200 -0.016 0.000 0.823 159 S HN 0.425 nan 8.310 nan 0.000 0.469 160 D N -0.940 119.434 120.400 -0.043 0.000 2.500 160 D HA 0.272 4.912 4.640 0.000 0.000 0.217 160 D C 1.293 177.557 176.300 -0.059 0.000 1.159 160 D CA 0.436 54.412 54.000 -0.040 0.000 0.828 160 D CB -0.444 40.341 40.800 -0.025 0.000 1.039 160 D HN 0.568 nan 8.370 nan 0.000 0.512 161 G N 1.204 109.957 108.800 -0.079 0.000 2.155 161 G HA2 -0.360 3.600 3.960 0.000 0.000 0.257 161 G HA3 -0.360 3.600 3.960 0.000 0.000 0.257 161 G C 0.170 175.001 174.900 -0.115 0.000 0.983 161 G CA 0.414 45.456 45.100 -0.096 0.000 0.676 161 G HN 0.599 nan 8.290 nan 0.000 0.528 162 K N 0.640 120.967 120.400 -0.122 0.000 2.322 162 K HA 0.456 4.776 4.320 0.000 0.000 0.283 162 K C 0.687 177.159 176.600 -0.214 0.000 1.042 162 K CA -0.606 55.588 56.287 -0.155 0.000 0.958 162 K CB 0.669 33.085 32.500 -0.140 0.000 0.984 162 K HN 0.007 nan 8.250 nan 0.000 0.473 163 V N 7.156 126.933 119.914 -0.229 0.000 2.421 163 V HA -0.047 4.073 4.120 0.000 0.000 0.271 163 V C 1.365 177.245 176.094 -0.357 0.000 1.031 163 V CA -0.117 62.033 62.300 -0.249 0.000 1.032 163 V CB 0.514 32.226 31.823 -0.186 0.000 1.009 163 V HN 0.805 nan 8.190 nan 0.000 0.477 164 I N 4.076 124.443 120.570 -0.338 0.000 2.703 164 I HA 0.196 4.366 4.170 0.000 0.000 0.259 164 I C 0.589 176.579 176.117 -0.212 0.000 1.151 164 I CA 1.350 62.410 61.300 -0.399 0.000 1.470 164 I CB -0.082 37.815 38.000 -0.171 0.000 1.112 164 I HN 0.548 nan 8.210 nan 0.000 0.437 165 M N 0.845 120.346 119.600 -0.166 0.000 2.373 165 M HA 0.308 4.788 4.480 0.000 0.000 0.290 165 M C -1.982 174.286 176.300 -0.053 0.000 1.143 165 M CA -0.222 55.046 55.300 -0.054 0.000 0.949 165 M CB 2.489 34.922 32.600 -0.279 0.000 1.756 165 M HN 0.020 nan 8.290 nan 0.000 0.494 166 E N 2.594 122.842 120.200 0.081 0.000 2.266 166 E HA 0.425 4.775 4.350 0.000 0.000 0.268 166 E C -1.035 175.597 176.600 0.055 0.000 0.879 166 E CA -1.014 55.411 56.400 0.043 0.000 0.762 166 E CB 1.828 31.583 29.700 0.092 0.000 1.199 166 E HN 0.731 nan 8.360 nan 0.000 0.422 167 N N 0.745 119.470 118.700 0.043 0.000 2.379 167 N HA 0.147 4.887 4.740 0.000 0.000 0.260 167 N C -0.866 174.694 175.510 0.083 0.000 1.254 167 N CA -0.565 52.536 53.050 0.085 0.000 0.958 167 N CB 0.514 39.085 38.487 0.141 0.000 1.208 167 N HN 0.449 nan 8.380 nan 0.000 0.532 168 D N -1.839 118.620 120.400 0.100 0.000 2.193 168 D HA 0.286 4.926 4.640 0.000 0.000 0.249 168 D C -1.136 175.201 176.300 0.061 0.000 1.034 168 D CA -0.332 53.708 54.000 0.067 0.000 0.902 168 D CB 0.875 41.717 40.800 0.069 0.000 1.182 168 D HN 0.465 nan 8.370 nan 0.000 0.436 169 E N 1.228 121.446 120.200 0.032 0.000 2.222 169 E HA 0.463 4.813 4.350 0.000 0.000 0.267 169 E C -1.325 175.276 176.600 0.003 0.000 0.884 169 E CA -1.158 55.254 56.400 0.021 0.000 0.764 169 E CB 2.660 32.364 29.700 0.007 0.000 1.169 169 E HN 0.216 nan 8.360 nan 0.000 0.413 170 V N 2.206 122.120 119.914 -0.001 0.000 2.513 170 V HA 0.662 4.782 4.120 0.000 0.000 0.299 170 V C -0.010 176.076 176.094 -0.014 0.000 1.035 170 V CA -0.280 62.011 62.300 -0.015 0.000 0.889 170 V CB 1.548 33.353 31.823 -0.029 0.000 0.988 170 V HN 0.736 nan 8.190 nan 0.000 0.440 171 G N 3.896 112.685 108.800 -0.018 0.000 2.444 171 G HA2 0.551 4.511 3.960 0.000 0.000 0.268 171 G HA3 0.551 4.511 3.960 0.000 0.000 0.268 171 G C -0.053 174.836 174.900 -0.018 0.000 1.203 171 G CA 0.308 45.398 45.100 -0.018 0.000 0.835 171 G HN 1.127 nan 8.290 nan 0.000 0.543 172 T N -1.622 112.923 114.554 -0.016 0.000 2.908 172 T HA 0.594 4.944 4.350 0.000 0.000 0.290 172 T C 1.286 175.977 174.700 -0.015 0.000 1.034 172 T CA 0.159 62.249 62.100 -0.016 0.000 1.010 172 T CB 1.904 70.764 68.868 -0.013 0.000 1.068 172 T HN 0.809 nan 8.240 nan 0.000 0.481 173 A N 1.564 124.375 122.820 -0.016 0.000 1.972 173 A HA 0.085 4.406 4.320 0.000 0.000 0.219 173 A C 2.208 179.785 177.584 -0.012 0.000 1.169 173 A CA 1.822 53.851 52.037 -0.014 0.000 0.635 173 A CB -0.854 18.137 19.000 -0.015 0.000 0.810 173 A HN 1.392 nan 8.150 nan 0.000 0.446 174 S N -3.534 112.160 115.700 -0.010 0.000 2.687 174 S HA 0.234 4.705 4.470 0.000 0.000 0.247 174 S C 0.701 175.298 174.600 -0.005 0.000 1.050 174 S CA 0.576 58.771 58.200 -0.008 0.000 1.063 174 S CB 0.283 63.479 63.200 -0.007 0.000 1.039 174 S HN 0.245 nan 8.310 nan 0.000 0.580 175 S N 1.133 116.830 115.700 -0.005 0.000 2.900 175 S HA 0.659 5.130 4.470 0.000 0.000 0.253 175 S C 0.796 175.396 174.600 -0.000 0.000 1.029 175 S CA -0.110 58.090 58.200 -0.000 0.000 1.096 175 S CB 0.661 63.863 63.200 0.003 0.000 1.067 175 S HN 1.244 nan 8.310 nan 0.000 0.610 176 G N 2.724 111.520 108.800 -0.005 0.000 2.741 176 G HA2 -0.208 3.752 3.960 0.000 0.000 0.222 176 G HA3 -0.208 3.752 3.960 0.000 0.000 0.222 176 G C -1.010 173.886 174.900 -0.007 0.000 1.364 176 G CA -0.932 44.164 45.100 -0.008 0.000 0.866 176 G HN 0.331 nan 8.290 nan 0.000 0.555 177 N N 1.224 119.918 118.700 -0.010 0.000 2.514 177 N HA 0.453 5.194 4.740 0.000 0.000 0.277 177 N C -0.018 175.495 175.510 0.005 0.000 1.126 177 N CA -0.060 52.986 53.050 -0.008 0.000 0.978 177 N CB 1.154 39.630 38.487 -0.018 0.000 1.106 177 N HN 0.467 nan 8.380 nan 0.000 0.461 178 K N 0.890 121.297 120.400 0.013 0.000 2.244 178 K HA 0.246 4.566 4.320 0.000 0.000 0.260 178 K C -0.533 176.094 176.600 0.044 0.000 0.951 178 K CA -0.526 55.779 56.287 0.030 0.000 0.826 178 K CB 1.754 34.277 32.500 0.037 0.000 1.108 178 K HN 0.507 nan 8.250 nan 0.000 0.433 179 C N 4.666 124.005 119.300 0.066 0.000 2.416 179 C HA 0.230 4.690 4.460 0.000 0.000 0.355 179 C C 1.335 176.400 174.990 0.126 0.000 1.211 179 C CA -0.469 58.609 59.018 0.100 0.000 1.699 179 C CB -0.964 26.864 27.740 0.146 0.000 2.310 179 C HN 0.728 nan 8.230 nan 0.000 0.539 180 R N 3.317 123.880 120.500 0.105 0.000 2.339 180 R HA 0.016 4.357 4.340 0.000 0.000 0.199 180 R C 2.114 178.533 176.300 0.199 0.000 1.018 180 R CA 0.728 56.894 56.100 0.110 0.000 1.036 180 R CB -0.066 30.249 30.300 0.024 0.000 0.899 180 R HN 0.982 nan 8.270 nan 0.000 0.473 181 G N 0.757 109.698 108.800 0.235 0.000 2.448 181 G HA2 -0.130 3.830 3.960 0.000 0.000 0.219 181 G HA3 -0.130 3.830 3.960 0.000 0.000 0.219 181 G C 0.605 175.730 174.900 0.374 0.000 1.127 181 G CA 0.428 45.725 45.100 0.328 0.000 0.766 181 G HN 0.139 nan 8.290 nan 0.000 0.552 182 L N 0.479 121.863 121.223 0.268 0.000 2.406 182 L HA 0.573 4.913 4.340 0.000 0.000 0.270 182 L C -0.636 176.484 176.870 0.417 0.000 0.982 182 L CA -0.307 54.678 54.840 0.240 0.000 0.843 182 L CB 1.902 43.946 42.059 -0.027 0.000 1.225 182 L HN 0.025 nan 8.230 nan 0.000 0.412 183 M N 4.409 124.326 119.600 0.528 0.000 2.518 183 M HA 0.651 5.131 4.480 0.000 0.000 0.300 183 M C -1.262 175.507 176.300 0.782 0.000 1.175 183 M CA -0.654 54.979 55.300 0.555 0.000 0.890 183 M CB 2.797 35.616 32.600 0.366 0.000 1.710 183 M HN 0.429 nan 8.290 nan 0.000 0.453 184 F N -0.672 119.601 119.950 0.538 0.000 2.635 184 F HA 0.678 5.206 4.527 0.000 0.000 0.314 184 F C -1.408 174.420 175.800 0.047 0.000 1.119 184 F CA -1.313 56.862 58.000 0.292 0.000 1.000 184 F CB 0.355 39.422 39.000 0.112 0.000 1.278 184 F HN 0.212 nan 8.300 nan 0.000 0.446 185 V N 2.532 122.206 119.914 -0.400 0.000 2.599 185 V HA 0.012 4.132 4.120 0.000 0.000 0.300 185 V C 0.383 176.436 176.094 -0.069 0.000 1.034 185 V CA 0.111 62.033 62.300 -0.631 0.000 1.115 185 V CB 0.373 31.694 31.823 -0.837 0.000 0.934 185 V HN 0.843 nan 8.190 nan 0.000 0.485 186 D N 4.646 125.037 120.400 -0.014 0.000 2.531 186 D HA -0.056 4.585 4.640 0.000 0.000 0.239 186 D C 1.294 177.654 176.300 0.100 0.000 1.144 186 D CA 0.038 54.185 54.000 0.245 0.000 0.869 186 D CB 0.640 41.514 40.800 0.123 0.000 1.160 186 D HN 0.396 nan 8.370 nan 0.000 0.484 187 R N 3.725 124.299 120.500 0.124 0.000 2.357 187 R HA -0.030 4.310 4.340 0.000 0.000 0.202 187 R C 1.597 177.819 176.300 -0.130 0.000 1.047 187 R CA 0.133 56.224 56.100 -0.015 0.000 1.034 187 R CB -0.208 30.086 30.300 -0.010 0.000 0.875 187 R HN 0.574 nan 8.270 nan 0.000 0.473 188 L N -0.638 120.428 121.223 -0.262 0.000 2.376 188 L HA -0.080 4.260 4.340 0.000 0.000 0.219 188 L C 0.996 177.459 176.870 -0.678 0.000 1.133 188 L CA 1.106 55.618 54.840 -0.547 0.000 0.816 188 L CB -0.110 41.445 42.059 -0.839 0.000 0.933 188 L HN 0.111 nan 8.230 nan 0.000 0.449 189 Y N -1.670 118.588 120.300 -0.069 0.000 2.494 189 Y HA 0.454 5.004 4.550 0.000 0.000 0.271 189 Y C 1.057 176.871 175.900 -0.143 0.000 1.113 189 Y CA -0.156 57.881 58.100 -0.104 0.000 1.240 189 Y CB 0.494 38.872 38.460 -0.137 0.000 1.268 189 Y HN -0.065 nan 8.280 nan 0.000 0.510 190 G N -0.323 108.442 108.800 -0.058 0.000 2.619 190 G HA2 0.336 4.296 3.960 0.000 0.000 0.305 190 G HA3 0.336 4.296 3.960 0.000 0.000 0.305 190 G C -0.820 173.951 174.900 -0.214 0.000 1.330 190 G CA -0.647 44.354 45.100 -0.165 0.000 0.789 190 G HN 0.001 nan 8.290 nan 0.000 0.487 191 N N -0.757 117.744 118.700 -0.331 0.000 2.118 191 N HA 0.429 5.169 4.740 0.000 0.000 0.226 191 N C 0.590 175.912 175.510 -0.312 0.000 1.305 191 N CA 0.200 53.016 53.050 -0.390 0.000 0.890 191 N CB 1.629 39.624 38.487 -0.820 0.000 1.118 191 N HN 0.748 nan 8.380 nan 0.000 0.511 192 A N 1.267 123.927 122.820 -0.266 0.000 2.366 192 A HA 0.605 4.925 4.320 0.000 0.000 0.249 192 A C 0.167 177.836 177.584 0.142 0.000 1.084 192 A CA -0.247 51.770 52.037 -0.034 0.000 0.794 192 A CB -0.009 19.057 19.000 0.110 0.000 1.034 192 A HN 0.341 nan 8.150 nan 0.000 0.491 193 I N -2.959 117.859 120.570 0.413 0.000 2.934 193 I HA 0.922 5.092 4.170 0.000 0.000 0.306 193 I C -0.357 176.189 176.117 0.714 0.000 1.110 193 I CA -1.011 60.642 61.300 0.588 0.000 1.019 193 I CB 2.295 40.545 38.000 0.417 0.000 1.227 193 I HN 0.879 nan 8.210 nan 0.000 0.434 194 A N 2.421 125.663 122.820 0.703 0.000 2.612 194 A HA 0.824 5.145 4.320 0.000 0.000 0.293 194 A C -1.222 176.699 177.584 0.561 0.000 1.075 194 A CA -0.556 51.760 52.037 0.465 0.000 0.680 194 A CB 1.830 20.823 19.000 -0.012 0.000 1.279 194 A HN 0.814 nan 8.150 nan 0.000 0.411 195 S N -0.009 115.999 115.700 0.514 0.000 2.668 195 S HA 0.618 5.088 4.470 0.000 0.000 0.277 195 S C -1.567 173.401 174.600 0.613 0.000 1.170 195 S CA -0.340 58.237 58.200 0.628 0.000 0.994 195 S CB 1.154 64.839 63.200 0.808 0.000 1.051 195 S HN 1.270 nan 8.310 nan 0.000 0.484 196 V N 5.358 125.542 119.914 0.451 0.000 2.448 196 V HA 0.614 4.734 4.120 0.000 0.000 0.295 196 V C -0.463 175.821 176.094 0.317 0.000 1.025 196 V CA -0.944 61.597 62.300 0.401 0.000 0.859 196 V CB 1.851 33.798 31.823 0.207 0.000 0.988 196 V HN 0.826 nan 8.190 nan 0.000 0.431 197 N N 2.167 121.069 118.700 0.337 0.000 2.404 197 N HA 0.473 5.213 4.740 0.000 0.000 0.297 197 N C -0.491 175.102 175.510 0.138 0.000 1.163 197 N CA -0.905 52.255 53.050 0.182 0.000 0.864 197 N CB 1.720 40.272 38.487 0.107 0.000 1.247 197 N HN 0.602 nan 8.380 nan 0.000 0.510 198 K N 0.898 121.323 120.400 0.041 0.000 2.401 198 K HA 0.145 4.465 4.320 0.000 0.000 0.278 198 K C -0.558 175.935 176.600 -0.178 0.000 1.018 198 K CA 0.073 56.267 56.287 -0.154 0.000 0.981 198 K CB 0.090 32.409 32.500 -0.302 0.000 0.933 198 K HN 0.480 nan 8.250 nan 0.000 0.477 199 N N 4.220 122.774 118.700 -0.243 0.000 2.399 199 N HA 0.248 4.988 4.740 0.000 0.000 0.280 199 N C -1.267 174.158 175.510 -0.142 0.000 1.008 199 N CA -0.534 52.534 53.050 0.029 0.000 0.894 199 N CB 0.332 38.895 38.487 0.126 0.000 1.273 199 N HN 0.478 nan 8.380 nan 0.000 0.486 200 F N 2.629 122.728 119.950 0.249 0.000 2.730 200 F HA 0.272 4.799 4.527 0.000 0.000 0.295 200 F C 1.977 177.867 175.800 0.149 0.000 1.143 200 F CA -0.471 57.632 58.000 0.172 0.000 1.367 200 F CB 0.241 39.343 39.000 0.170 0.000 0.970 200 F HN 0.527 nan 8.300 nan 0.000 0.514 201 R N -0.324 120.348 120.500 0.286 0.000 2.105 201 R HA -0.151 4.189 4.340 0.000 0.000 0.239 201 R C 0.935 177.315 176.300 0.134 0.000 1.135 201 R CA 1.796 58.024 56.100 0.214 0.000 0.967 201 R CB -0.434 29.994 30.300 0.214 0.000 0.861 201 R HN 0.121 nan 8.270 nan 0.000 0.442 202 N N 0.930 119.702 118.700 0.121 0.000 2.336 202 N HA -0.029 4.711 4.740 0.000 0.000 0.189 202 N C -0.551 175.023 175.510 0.106 0.000 1.113 202 N CA 0.215 53.317 53.050 0.087 0.000 0.858 202 N CB -0.005 38.517 38.487 0.057 0.000 0.970 202 N HN 0.326 nan 8.380 nan 0.000 0.471 203 D N 0.701 121.200 120.400 0.166 0.000 2.434 203 D HA 0.045 4.685 4.640 0.000 0.000 0.252 203 D C 0.945 177.308 176.300 0.105 0.000 1.185 203 D CA -0.084 54.017 54.000 0.169 0.000 0.886 203 D CB 1.263 42.222 40.800 0.264 0.000 1.148 203 D HN 0.132 nan 8.370 nan 0.000 0.483 204 A N 3.721 126.585 122.820 0.075 0.000 1.978 204 A HA -0.131 4.189 4.320 0.000 0.000 0.220 204 A C 2.112 179.719 177.584 0.039 0.000 1.170 204 A CA 1.132 53.197 52.037 0.048 0.000 0.636 204 A CB -0.086 18.936 19.000 0.037 0.000 0.810 204 A HN 0.538 nan 8.150 nan 0.000 0.448 205 V N -0.487 119.453 119.914 0.043 0.000 2.426 205 V HA -0.118 4.002 4.120 0.000 0.000 0.242 205 V C 2.302 178.417 176.094 0.035 0.000 1.036 205 V CA 1.917 64.236 62.300 0.031 0.000 1.044 205 V CB -0.455 31.382 31.823 0.024 0.000 0.688 205 V HN 0.500 nan 8.190 nan 0.000 0.462 206 K N -0.313 120.122 120.400 0.059 0.000 2.155 206 K HA -0.051 4.269 4.320 0.000 0.000 0.203 206 K C 0.601 177.225 176.600 0.040 0.000 1.052 206 K CA 0.315 56.645 56.287 0.073 0.000 0.948 206 K CB -0.129 32.449 32.500 0.130 0.000 0.728 206 K HN 0.413 nan 8.250 nan 0.000 0.448 207 Q N 1.763 121.602 119.800 0.065 0.000 2.402 207 Q HA -0.199 4.141 4.340 0.000 0.000 0.356 207 Q C -1.088 174.924 176.000 0.020 0.000 1.344 207 Q CA 0.446 56.276 55.803 0.045 0.000 1.062 207 Q CB -1.309 27.436 28.738 0.011 0.000 1.268 207 Q HN 0.337 nan 8.270 nan 0.000 0.383 208 E N -0.353 119.884 120.200 0.061 0.000 2.481 208 E HA 0.141 4.491 4.350 0.000 0.000 0.263 208 E C 0.629 177.176 176.600 -0.088 0.000 0.992 208 E CA 0.700 57.072 56.400 -0.047 0.000 0.938 208 E CB 0.552 30.263 29.700 0.019 0.000 0.933 208 E HN 0.434 nan 8.360 nan 0.000 0.453 209 G N 2.182 110.854 108.800 -0.214 0.000 2.448 209 G HA2 0.553 4.514 3.960 0.000 0.000 0.324 209 G HA3 0.553 4.514 3.960 0.000 0.000 0.324 209 G C -1.274 173.393 174.900 -0.388 0.000 1.203 209 G CA -0.628 44.361 45.100 -0.184 0.000 0.954 209 G HN 0.308 nan 8.290 nan 0.000 0.480 210 F N 0.532 120.317 119.950 -0.275 0.000 2.482 210 F HA 0.603 5.130 4.527 0.000 0.000 0.331 210 F C -0.453 175.121 175.800 -0.377 0.000 1.115 210 F CA -0.551 57.325 58.000 -0.207 0.000 0.955 210 F CB 2.124 41.028 39.000 -0.160 0.000 1.136 210 F HN 0.341 nan 8.300 nan 0.000 0.452 211 Y N 0.345 120.621 120.300 -0.039 0.000 2.605 211 Y HA 0.769 5.319 4.550 0.000 0.000 0.343 211 Y C 0.676 176.519 175.900 -0.094 0.000 1.036 211 Y CA -0.468 57.598 58.100 -0.057 0.000 1.065 211 Y CB 2.200 40.609 38.460 -0.084 0.000 1.288 211 Y HN 0.796 nan 8.280 nan 0.000 0.481 212 G N 0.539 109.427 108.800 0.146 0.000 2.659 212 G HA2 0.219 4.179 3.960 0.000 0.000 0.214 212 G HA3 0.219 4.179 3.960 0.000 0.000 0.214 212 G C 0.306 175.288 174.900 0.138 0.000 1.191 212 G CA 0.110 45.284 45.100 0.124 0.000 1.141 212 G HN 1.913 nan 8.290 nan 0.000 0.581 213 A N -0.478 122.434 122.820 0.153 0.000 2.832 213 A HA 0.344 4.664 4.320 0.000 0.000 0.280 213 A C 2.248 179.935 177.584 0.171 0.000 1.464 213 A CA 1.657 53.779 52.037 0.142 0.000 0.804 213 A CB -1.776 17.260 19.000 0.060 0.000 1.020 213 A HN 3.142 nan 8.150 nan 0.000 0.563 214 G N -0.910 108.033 108.800 0.238 0.000 2.665 214 G HA2 -0.400 3.560 3.960 0.000 0.000 0.326 214 G HA3 -0.400 3.560 3.960 0.000 0.000 0.326 214 G C 0.567 175.542 174.900 0.126 0.000 1.231 214 G CA 1.089 46.330 45.100 0.235 0.000 0.992 214 G HN 1.214 nan 8.290 nan 0.000 0.549 215 E N 0.041 120.306 120.200 0.109 0.000 2.481 215 E HA 0.372 4.723 4.350 0.000 0.000 0.198 215 E C 0.705 177.293 176.600 -0.019 0.000 1.027 215 E CA -0.183 56.228 56.400 0.019 0.000 0.900 215 E CB 0.613 30.314 29.700 0.001 0.000 0.993 215 E HN 0.314 nan 8.360 nan 0.000 0.482 216 V N 2.604 122.534 119.914 0.026 0.000 2.720 216 V HA -0.118 4.002 4.120 0.000 0.000 0.307 216 V C 0.154 176.276 176.094 0.047 0.000 1.071 216 V CA 0.632 62.948 62.300 0.027 0.000 1.199 216 V CB 0.150 32.008 31.823 0.058 0.000 0.900 216 V HN 0.253 nan 8.190 nan 0.000 0.494 217 N N 2.827 121.565 118.700 0.062 0.000 2.405 217 N HA 0.648 5.389 4.740 0.000 0.000 0.299 217 N C -1.003 174.652 175.510 0.242 0.000 1.075 217 N CA -0.527 52.620 53.050 0.162 0.000 0.884 217 N CB 1.811 40.380 38.487 0.138 0.000 1.194 217 N HN 0.695 nan 8.380 nan 0.000 0.491 218 C N 1.890 121.373 119.300 0.305 0.000 2.551 218 C HA 0.432 4.892 4.460 0.000 0.000 0.332 218 C C -0.795 174.228 174.990 0.055 0.000 1.139 218 C CA -0.884 58.266 59.018 0.221 0.000 1.328 218 C CB 0.162 28.007 27.740 0.175 0.000 1.903 218 C HN 0.809 nan 8.230 nan 0.000 0.459 219 K N 3.579 123.904 120.400 -0.125 0.000 2.130 219 K HA 0.574 4.895 4.320 0.000 0.000 0.268 219 K C -1.702 174.882 176.600 -0.025 0.000 0.983 219 K CA -0.387 55.646 56.287 -0.424 0.000 0.893 219 K CB 1.053 33.136 32.500 -0.695 0.000 1.066 219 K HN 0.722 nan 8.250 nan 0.000 0.450 220 Y N 4.571 124.789 120.300 -0.137 0.000 2.326 220 Y HA 0.147 4.697 4.550 0.000 0.000 0.329 220 Y C 0.043 175.933 175.900 -0.017 0.000 0.973 220 Y CA -0.032 58.044 58.100 -0.039 0.000 1.162 220 Y CB 0.806 39.259 38.460 -0.012 0.000 1.147 220 Y HN 1.023 nan 8.280 nan 0.000 0.456 221 Q N 1.878 121.396 119.800 -0.470 0.000 1.959 221 Q HA -0.345 3.995 4.340 0.000 0.000 0.375 221 Q C -0.142 175.796 176.000 -0.104 0.000 0.685 221 Q CA 2.059 57.669 55.803 -0.321 0.000 0.942 221 Q CB -0.961 27.540 28.738 -0.394 0.000 2.698 221 Q HN 0.767 nan 8.270 nan 0.000 0.782 222 D N 0.259 120.661 120.400 0.003 0.000 2.398 222 D HA 0.168 4.808 4.640 0.000 0.000 0.210 222 D C -0.266 176.215 176.300 0.302 0.000 1.094 222 D CA 0.559 54.648 54.000 0.148 0.000 0.839 222 D CB 0.623 41.517 40.800 0.157 0.000 0.963 222 D HN 0.177 nan 8.370 nan 0.000 0.506 223 T N 0.149 114.820 114.554 0.195 0.000 2.855 223 T HA 0.343 4.693 4.350 0.000 0.000 0.281 223 T C -0.453 174.256 174.700 0.015 0.000 1.007 223 T CA -0.491 61.747 62.100 0.229 0.000 1.009 223 T CB 1.472 70.528 68.868 0.315 0.000 0.983 223 T HN -0.160 nan 8.240 nan 0.000 0.455 224 Y N 2.595 122.933 120.300 0.063 0.000 2.313 224 Y HA 0.519 5.070 4.550 0.001 0.000 0.332 224 Y C 0.765 176.707 175.900 0.069 0.000 1.071 224 Y CA -0.954 57.179 58.100 0.055 0.000 1.169 224 Y CB 0.411 38.869 38.460 -0.004 0.000 1.192 224 Y HN 0.517 nan 8.280 nan 0.000 0.487 225 I N 0.553 121.226 120.570 0.171 0.000 2.982 225 I HA 0.426 4.596 4.170 0.000 0.000 0.312 225 I C 0.107 176.289 176.117 0.109 0.000 1.041 225 I CA -0.986 60.387 61.300 0.122 0.000 1.053 225 I CB 1.593 39.637 38.000 0.073 0.000 1.248 225 I HN 0.556 nan 8.210 nan 0.000 0.471 226 L N 1.339 122.615 121.223 0.088 0.000 2.145 226 L HA 0.309 4.649 4.340 0.000 0.000 0.201 226 L C 1.201 178.091 176.870 0.034 0.000 1.075 226 L CA 1.207 56.106 54.840 0.098 0.000 0.773 226 L CB -0.209 41.941 42.059 0.153 0.000 0.936 226 L HN 0.792 nan 8.230 nan 0.000 0.451 227 E N 0.178 120.335 120.200 -0.073 0.000 2.398 227 E HA 0.050 4.400 4.350 0.000 0.000 0.263 227 E C -0.317 176.150 176.600 -0.222 0.000 1.046 227 E CA -0.277 55.927 56.400 -0.327 0.000 0.908 227 E CB 0.475 29.906 29.700 -0.448 0.000 0.963 227 E HN 0.142 nan 8.360 nan 0.000 0.431 228 R N 2.651 122.997 120.500 -0.257 0.000 2.903 228 R HA 0.133 4.474 4.340 0.000 0.000 0.363 228 R C -0.375 175.831 176.300 -0.156 0.000 1.161 228 R CA -0.199 55.810 56.100 -0.151 0.000 1.109 228 R CB 0.408 30.658 30.300 -0.083 0.000 1.399 228 R HN 0.515 nan 8.270 nan 0.000 0.587 229 T N -2.980 111.477 114.554 -0.160 0.000 2.895 229 T HA 0.504 4.854 4.350 0.000 0.000 0.283 229 T C 0.986 175.563 174.700 -0.204 0.000 1.014 229 T CA 0.429 62.460 62.100 -0.115 0.000 1.037 229 T CB 1.805 70.726 68.868 0.089 0.000 1.006 229 T HN 0.508 nan 8.240 nan 0.000 0.468 230 G N 2.454 111.101 108.800 -0.255 0.000 2.147 230 G HA2 -0.155 3.805 3.960 0.000 0.000 0.244 230 G HA3 -0.155 3.805 3.960 0.000 0.000 0.244 230 G C 0.049 174.759 174.900 -0.318 0.000 1.005 230 G CA 0.444 45.404 45.100 -0.233 0.000 0.713 230 G HN 1.513 nan 8.290 nan 0.000 0.515 231 I N -3.321 117.009 120.570 -0.400 0.000 2.934 231 I HA 0.903 5.073 4.170 0.000 0.000 0.306 231 I C -0.055 175.897 176.117 -0.274 0.000 1.110 231 I CA -1.356 59.588 61.300 -0.594 0.000 1.019 231 I CB 2.412 39.867 38.000 -0.908 0.000 1.227 231 I HN 0.475 nan 8.210 nan 0.000 0.434 232 A N 6.159 129.000 122.820 0.035 0.000 2.267 232 A HA 0.819 5.139 4.320 0.000 0.000 0.315 232 A C -0.475 177.323 177.584 0.357 0.000 1.297 232 A CA -0.579 51.594 52.037 0.226 0.000 0.865 232 A CB 0.660 19.902 19.000 0.404 0.000 1.165 232 A HN 0.806 nan 8.150 nan 0.000 0.513 233 M N 1.038 120.728 119.600 0.150 0.000 2.724 233 M HA 0.618 5.098 4.480 0.000 0.000 0.310 233 M C -0.034 176.278 176.300 0.020 0.000 1.217 233 M CA -0.434 54.936 55.300 0.117 0.000 0.894 233 M CB 2.560 35.187 32.600 0.045 0.000 1.719 233 M HN 0.599 nan 8.290 nan 0.000 0.479 234 T N 0.516 115.035 114.554 -0.057 0.000 2.916 234 T HA 0.433 4.783 4.350 0.000 0.000 0.305 234 T C -1.484 173.119 174.700 -0.162 0.000 1.119 234 T CA -0.894 61.062 62.100 -0.239 0.000 1.008 234 T CB 1.008 69.659 68.868 -0.361 0.000 1.129 234 T HN 0.654 nan 8.240 nan 0.000 0.480 235 N N 3.566 122.138 118.700 -0.212 0.000 2.457 235 N HA 0.304 5.045 4.740 0.000 0.000 0.250 235 N C -1.652 173.830 175.510 -0.047 0.000 0.982 235 N CA -0.200 52.794 53.050 -0.093 0.000 0.941 235 N CB 1.093 39.542 38.487 -0.064 0.000 1.120 235 N HN 0.619 nan 8.380 nan 0.000 0.505 236 Y N 2.328 122.539 120.300 -0.148 0.000 2.489 236 Y HA 0.203 4.753 4.550 0.001 0.000 0.339 236 Y C -0.862 175.004 175.900 -0.055 0.000 1.135 236 Y CA -0.881 57.149 58.100 -0.117 0.000 1.321 236 Y CB 0.073 38.465 38.460 -0.113 0.000 1.098 236 Y HN 0.286 nan 8.280 nan 0.000 0.590 237 N N 3.514 122.106 118.700 -0.181 0.000 2.365 237 N HA 0.013 4.753 4.740 0.000 0.000 0.265 237 N C -1.299 174.137 175.510 -0.122 0.000 1.288 237 N CA 0.980 53.961 53.050 -0.115 0.000 0.869 237 N CB 0.051 38.483 38.487 -0.092 0.000 1.071 237 N HN 0.583 nan 8.380 nan 0.000 0.480 238 Y N 0.052 120.204 120.300 -0.247 0.000 2.553 238 Y HA 0.155 4.705 4.550 0.001 0.000 0.347 238 Y C -0.340 175.420 175.900 -0.233 0.000 1.019 238 Y CA -1.287 56.675 58.100 -0.230 0.000 1.032 238 Y CB 1.515 39.865 38.460 -0.185 0.000 1.284 238 Y HN 0.375 nan 8.280 nan 0.000 0.466 239 D N 2.484 122.683 120.400 -0.335 0.000 2.600 239 D HA 0.008 4.649 4.640 0.000 0.000 0.226 239 D C -0.538 175.779 176.300 0.029 0.000 1.119 239 D CA 0.411 54.339 54.000 -0.121 0.000 1.051 239 D CB -0.618 40.063 40.800 -0.197 0.000 1.106 239 D HN 0.383 nan 8.370 nan 0.000 0.491 240 N N 3.140 121.788 118.700 -0.086 0.000 3.131 240 N HA 0.087 4.827 4.740 0.000 0.000 0.312 240 N C -0.389 175.231 175.510 0.184 0.000 1.433 240 N CA -0.506 52.551 53.050 0.013 0.000 1.141 240 N CB -0.327 38.053 38.487 -0.179 0.000 1.431 240 N HN 0.442 nan 8.380 nan 0.000 0.523 241 L N 1.553 122.925 121.223 0.247 0.000 2.640 241 L HA -0.100 4.240 4.340 0.000 0.000 0.280 241 L C 0.640 177.647 176.870 0.230 0.000 1.229 241 L CA 0.939 55.936 54.840 0.262 0.000 0.919 241 L CB -0.119 42.063 42.059 0.204 0.000 1.168 241 L HN 0.696 nan 8.230 nan 0.000 0.496 242 N N 2.592 121.382 118.700 0.149 0.000 2.965 242 N HA -0.277 4.463 4.740 0.000 0.000 0.232 242 N C -0.538 175.062 175.510 0.150 0.000 0.913 242 N CA 0.794 53.860 53.050 0.027 0.000 0.981 242 N CB -0.513 38.050 38.487 0.126 0.000 1.077 242 N HN 0.801 nan 8.380 nan 0.000 0.589 243 Y N -2.208 118.227 120.300 0.225 0.000 4.786 243 Y HA -0.227 4.323 4.550 0.000 0.000 0.243 243 Y C 0.525 176.488 175.900 0.104 0.000 1.027 243 Y CA 1.238 59.425 58.100 0.145 0.000 2.052 243 Y CB -2.692 35.874 38.460 0.177 0.000 1.578 243 Y HN 0.645 nan 8.280 nan 0.000 0.655 244 N N -1.962 116.900 118.700 0.269 0.000 2.527 244 N HA 0.080 4.820 4.740 0.000 0.000 0.279 244 N C -0.499 175.149 175.510 0.231 0.000 1.571 244 N CA -0.305 52.874 53.050 0.215 0.000 0.858 244 N CB 0.157 38.785 38.487 0.235 0.000 1.422 244 N HN 0.041 nan 8.380 nan 0.000 0.491 245 Q N 0.221 120.151 119.800 0.216 0.000 2.304 245 Q HA -0.105 4.235 4.340 0.000 0.000 0.301 245 Q C 0.778 176.948 176.000 0.283 0.000 1.063 245 Q CA 0.120 56.081 55.803 0.264 0.000 0.947 245 Q CB 1.065 29.978 28.738 0.293 0.000 1.201 245 Q HN 0.568 nan 8.270 nan 0.000 0.389 246 W N 3.919 125.290 121.300 0.119 0.000 2.363 246 W HA -0.173 4.488 4.660 0.000 0.000 0.296 246 W C 0.709 177.280 176.519 0.087 0.000 1.212 246 W CA 1.522 58.922 57.345 0.092 0.000 1.260 246 W CB 0.341 29.857 29.460 0.094 0.000 1.131 246 W HN 0.722 nan 8.180 nan 0.000 0.530 247 D N 0.640 121.135 120.400 0.158 0.000 2.392 247 D HA -0.168 4.472 4.640 0.000 0.000 0.228 247 D C 1.673 178.020 176.300 0.079 0.000 1.003 247 D CA 0.834 54.880 54.000 0.075 0.000 0.917 247 D CB -1.027 39.920 40.800 0.245 0.000 0.890 247 D HN 0.292 nan 8.370 nan 0.000 0.532 248 L N 0.082 121.299 121.223 -0.011 0.000 2.640 248 L HA 0.164 4.505 4.340 0.000 0.000 0.230 248 L C 1.157 178.073 176.870 0.078 0.000 1.123 248 L CA -0.556 54.279 54.840 -0.009 0.000 0.900 248 L CB -0.118 41.850 42.059 -0.151 0.000 1.146 248 L HN -0.046 nan 8.230 nan 0.000 0.484 249 R N 0.994 121.381 120.500 -0.188 0.000 2.734 249 R HA 0.219 4.559 4.340 0.000 0.000 0.266 249 R C -2.499 173.501 176.300 -0.500 0.000 1.044 249 R CA -1.446 54.423 56.100 -0.386 0.000 1.128 249 R CB -0.697 29.109 30.300 -0.823 0.000 1.010 249 R HN -0.177 nan 8.270 nan 0.000 0.461 250 P HA 0.126 nan 4.420 nan 0.000 0.269 250 P C -2.418 174.333 177.300 -0.915 0.000 1.215 250 P CA -1.259 60.952 63.100 -1.482 0.000 0.780 250 P CB -0.034 31.121 31.700 -0.908 0.000 0.898 251 P HA -0.118 nan 4.420 nan 0.000 0.261 251 P C -0.012 177.020 177.300 -0.447 0.000 1.173 251 P CA 1.075 63.740 63.100 -0.725 0.000 0.760 251 P CB -0.371 30.946 31.700 -0.638 0.000 0.783 252 H N -1.325 117.640 119.070 -0.175 0.000 2.921 252 H HA -0.249 4.307 4.556 0.000 0.000 0.281 252 H C 0.390 175.682 175.328 -0.060 0.000 1.165 252 H CA 0.624 56.620 56.048 -0.086 0.000 1.151 252 H CB -2.448 27.276 29.762 -0.064 0.000 1.311 252 H HN 0.697 nan 8.280 nan 0.000 0.361 253 H N 1.912 120.901 119.070 -0.134 0.000 3.046 253 H HA 0.165 4.721 4.556 0.000 0.000 0.303 253 H C 0.044 175.406 175.328 0.056 0.000 1.002 253 H CA 0.266 56.266 56.048 -0.079 0.000 1.460 253 H CB 0.556 30.201 29.762 -0.195 0.000 1.493 253 H HN 0.187 nan 8.280 nan 0.000 0.559 254 D N 3.529 123.796 120.400 -0.221 0.000 2.268 254 D HA 0.438 5.078 4.640 0.000 0.000 0.249 254 D C 0.663 176.936 176.300 -0.043 0.000 1.008 254 D CA 0.689 54.689 54.000 -0.001 0.000 0.939 254 D CB 1.667 42.466 40.800 -0.001 0.000 1.170 254 D HN 0.986 nan 8.370 nan 0.000 0.468 255 G N 0.047 108.962 108.800 0.192 0.000 2.828 255 G HA2 0.151 4.112 3.960 0.000 0.000 0.463 255 G HA3 0.151 4.112 3.960 0.000 0.000 0.463 255 G C -0.005 175.161 174.900 0.444 0.000 1.394 255 G CA -0.419 44.810 45.100 0.216 0.000 0.862 255 G HN 0.752 nan 8.290 nan 0.000 0.540 256 A N -0.748 122.277 122.820 0.341 0.000 2.565 256 A HA 0.444 4.765 4.320 0.000 0.000 0.237 256 A C 0.647 178.571 177.584 0.567 0.000 1.053 256 A CA 0.912 53.178 52.037 0.381 0.000 0.755 256 A CB 0.509 19.661 19.000 0.254 0.000 0.980 256 A HN 2.122 nan 8.150 nan 0.000 0.506 257 L N 3.750 125.283 121.223 0.516 0.000 2.312 257 L HA 0.248 4.589 4.340 0.000 0.000 0.287 257 L C -0.234 176.786 176.870 0.249 0.000 1.091 257 L CA -0.175 54.813 54.840 0.246 0.000 0.846 257 L CB -0.184 41.972 42.059 0.162 0.000 1.219 257 L HN 0.649 nan 8.230 nan 0.000 0.439 258 N N 5.879 124.727 118.700 0.247 0.000 2.525 258 N HA 0.307 5.047 4.740 0.000 0.000 0.271 258 N C -2.442 173.182 175.510 0.189 0.000 1.194 258 N CA -1.526 51.667 53.050 0.238 0.000 0.964 258 N CB 0.536 39.178 38.487 0.259 0.000 1.126 258 N HN 0.371 nan 8.380 nan 0.000 0.452 259 P HA 0.121 nan 4.420 nan 0.000 0.266 259 P C -0.461 176.949 177.300 0.184 0.000 1.195 259 P CA 0.602 63.802 63.100 0.167 0.000 0.768 259 P CB 0.616 32.398 31.700 0.137 0.000 0.838 260 D N 0.091 120.463 120.400 -0.047 0.000 2.809 260 D HA 0.028 4.668 4.640 0.000 0.000 0.336 260 D C 0.330 176.415 176.300 -0.359 0.000 1.367 260 D CA -0.400 53.485 54.000 -0.191 0.000 0.815 260 D CB 0.103 40.638 40.800 -0.442 0.000 1.381 260 D HN 0.291 nan 8.370 nan 0.000 0.471 261 Y N 0.319 120.481 120.300 -0.230 0.000 2.352 261 Y HA -0.069 4.481 4.550 0.000 0.000 0.292 261 Y C 1.494 177.385 175.900 -0.016 0.000 1.136 261 Y CA 1.288 59.353 58.100 -0.058 0.000 1.227 261 Y CB -0.986 37.510 38.460 0.060 0.000 0.991 261 Y HN 0.379 nan 8.280 nan 0.000 0.545 262 Y N -0.080 120.163 120.300 -0.095 0.000 2.461 262 Y HA 0.473 5.023 4.550 0.000 0.000 0.277 262 Y C -0.184 175.716 175.900 0.001 0.000 1.182 262 Y CA -1.784 56.328 58.100 0.020 0.000 1.276 262 Y CB -0.811 37.684 38.460 0.058 0.000 1.087 262 Y HN 0.015 nan 8.280 nan 0.000 0.519 263 I N 4.772 125.280 120.570 -0.104 0.000 2.377 263 I HA 0.325 4.495 4.170 0.000 0.000 0.293 263 I C -2.219 173.864 176.117 -0.057 0.000 0.987 263 I CA -2.498 58.775 61.300 -0.045 0.000 1.185 263 I CB 1.738 39.681 38.000 -0.096 0.000 1.341 263 I HN -0.099 nan 8.210 nan 0.000 0.455 264 P HA 0.250 nan 4.420 nan 0.000 0.274 264 P C -0.713 176.526 177.300 -0.103 0.000 1.237 264 P CA -0.305 62.755 63.100 -0.066 0.000 0.793 264 P CB 1.375 33.051 31.700 -0.040 0.000 0.977 265 M N 0.371 119.914 119.600 -0.095 0.000 2.357 265 M HA 0.241 4.722 4.480 0.000 0.000 0.232 265 M C 1.344 177.531 176.300 -0.190 0.000 0.819 265 M CA -0.156 55.033 55.300 -0.185 0.000 1.630 265 M CB -0.499 32.032 32.600 -0.114 0.000 1.242 265 M HN 0.270 nan 8.290 nan 0.000 0.838 266 Y N -1.632 118.659 120.300 -0.016 0.000 2.507 266 Y HA 0.140 4.690 4.550 0.001 0.000 0.263 266 Y C 0.176 176.120 175.900 0.073 0.000 1.093 266 Y CA 0.012 58.107 58.100 -0.008 0.000 1.285 266 Y CB 0.304 38.708 38.460 -0.094 0.000 1.115 266 Y HN 0.298 nan 8.280 nan 0.000 0.533 267 Y N 0.981 121.337 120.300 0.093 0.000 2.377 267 Y HA 0.694 5.244 4.550 0.000 0.000 0.339 267 Y C -0.419 175.531 175.900 0.082 0.000 1.011 267 Y CA -2.308 55.836 58.100 0.072 0.000 1.093 267 Y CB 1.078 39.562 38.460 0.040 0.000 1.201 267 Y HN -0.099 nan 8.280 nan 0.000 0.455 268 A N 4.324 127.003 122.820 -0.235 0.000 2.260 268 A HA 0.746 5.066 4.320 0.000 0.000 0.312 268 A C -0.752 176.755 177.584 -0.130 0.000 1.321 268 A CA -0.042 51.953 52.037 -0.070 0.000 0.928 268 A CB -0.492 18.550 19.000 0.069 0.000 1.158 268 A HN 1.012 nan 8.150 nan 0.000 0.542 269 A N 4.902 127.741 122.820 0.032 0.000 2.893 269 A HA 0.657 4.977 4.320 0.000 0.000 0.333 269 A C -2.765 174.952 177.584 0.222 0.000 1.152 269 A CA -1.274 50.837 52.037 0.124 0.000 0.782 269 A CB 0.625 19.776 19.000 0.252 0.000 1.108 269 A HN 0.498 nan 8.150 nan 0.000 0.469 270 P HA 0.103 nan 4.420 nan 0.000 0.237 270 P C -0.693 176.847 177.300 0.400 0.000 1.788 270 P CA 0.399 63.633 63.100 0.223 0.000 1.061 270 P CB -0.592 31.209 31.700 0.169 0.000 1.967 271 W N 5.180 126.526 121.300 0.077 0.000 3.326 271 W HA 0.434 5.094 4.660 0.000 0.000 0.333 271 W C -2.619 173.917 176.519 0.028 0.000 1.108 271 W CA -0.771 56.615 57.345 0.069 0.000 1.245 271 W CB 1.352 30.845 29.460 0.054 0.000 1.331 271 W HN -0.108 nan 8.180 nan 0.000 0.464 272 L N 6.783 127.629 121.223 -0.629 0.000 2.401 272 L HA 0.575 4.915 4.340 0.000 0.000 0.266 272 L C -0.289 176.082 176.870 -0.832 0.000 0.991 272 L CA -1.188 53.333 54.840 -0.532 0.000 0.818 272 L CB 2.746 44.741 42.059 -0.108 0.000 1.321 272 L HN 0.301 nan 8.230 nan 0.000 0.413 273 I N 2.750 122.971 120.570 -0.581 0.000 2.355 273 I HA 0.332 4.502 4.170 0.000 0.000 0.288 273 I C -0.411 175.494 176.117 -0.353 0.000 0.999 273 I CA -0.819 60.175 61.300 -0.509 0.000 1.163 273 I CB 1.931 39.710 38.000 -0.368 0.000 1.316 273 I HN 0.176 nan 8.210 nan 0.000 0.454 274 V N 5.497 125.056 119.914 -0.593 0.000 2.465 274 V HA 0.304 4.424 4.120 0.000 0.000 0.279 274 V C -0.089 175.671 176.094 -0.557 0.000 1.045 274 V CA -0.467 61.395 62.300 -0.729 0.000 0.938 274 V CB 1.362 32.539 31.823 -1.077 0.000 0.986 274 V HN 0.672 nan 8.190 nan 0.000 0.467 275 N N 2.826 121.271 118.700 -0.425 0.000 2.399 275 N HA 0.708 5.449 4.740 0.000 0.000 0.284 275 N C -0.315 174.898 175.510 -0.495 0.000 1.025 275 N CA -0.045 52.766 53.050 -0.400 0.000 0.885 275 N CB 2.010 40.349 38.487 -0.248 0.000 1.339 275 N HN 0.883 nan 8.380 nan 0.000 0.487 276 G N 0.672 108.936 108.800 -0.894 0.000 2.533 276 G HA2 0.447 4.407 3.960 0.000 0.000 0.304 276 G HA3 0.447 4.407 3.960 0.000 0.000 0.304 276 G C -0.267 174.251 174.900 -0.637 0.000 1.263 276 G CA -0.547 44.005 45.100 -0.913 0.000 0.964 276 G HN 0.821 nan 8.290 nan 0.000 0.479 277 C N -0.280 118.872 119.300 -0.247 0.000 4.167 277 C HA -0.054 4.406 4.460 0.000 0.000 0.302 277 C C 1.548 176.468 174.990 -0.117 0.000 1.384 277 C CA -0.383 58.576 59.018 -0.098 0.000 2.041 277 C CB -2.828 24.920 27.740 0.012 0.000 1.303 277 C HN 1.401 nan 8.230 nan 0.000 0.718 278 A N -0.052 122.690 122.820 -0.130 0.000 2.520 278 A HA 0.482 4.802 4.320 0.000 0.000 0.245 278 A C 1.532 179.076 177.584 -0.066 0.000 1.072 278 A CA 1.208 53.179 52.037 -0.111 0.000 0.761 278 A CB -0.025 18.917 19.000 -0.096 0.000 1.004 278 A HN 2.474 nan 8.150 nan 0.000 0.499 279 G N 1.480 110.248 108.800 -0.054 0.000 2.176 279 G HA2 -0.153 3.808 3.960 0.000 0.000 0.253 279 G HA3 -0.153 3.808 3.960 0.000 0.000 0.253 279 G C 0.527 175.416 174.900 -0.018 0.000 0.979 279 G CA 1.156 46.241 45.100 -0.025 0.000 0.641 279 G HN 2.153 nan 8.290 nan 0.000 0.530 280 T N -2.244 112.296 114.554 -0.024 0.000 2.949 280 T HA 0.697 5.047 4.350 0.000 0.000 0.287 280 T C 1.699 176.395 174.700 -0.006 0.000 1.034 280 T CA 0.824 62.918 62.100 -0.011 0.000 1.018 280 T CB 1.528 70.394 68.868 -0.004 0.000 1.135 280 T HN 1.020 nan 8.240 nan 0.000 0.532 281 S N -0.307 115.393 115.700 0.001 0.000 2.447 281 S HA -0.111 4.359 4.470 0.000 0.000 0.233 281 S C 1.314 175.928 174.600 0.023 0.000 1.006 281 S CA 0.916 59.119 58.200 0.005 0.000 0.957 281 S CB -0.796 62.406 63.200 0.003 0.000 0.773 281 S HN 0.948 nan 8.310 nan 0.000 0.507 282 E N 1.060 121.281 120.200 0.035 0.000 2.419 282 E HA 0.161 4.512 4.350 0.000 0.000 0.190 282 E C 0.535 177.210 176.600 0.124 0.000 1.040 282 E CA -0.575 55.868 56.400 0.073 0.000 0.900 282 E CB -0.209 29.529 29.700 0.064 0.000 1.054 282 E HN 0.658 nan 8.360 nan 0.000 0.462 283 Q N 1.383 121.217 119.800 0.057 0.000 2.333 283 Q HA -0.044 4.296 4.340 0.000 0.000 0.299 283 Q C -1.115 174.946 176.000 0.102 0.000 1.067 283 Q CA 0.144 55.946 55.803 -0.002 0.000 0.943 283 Q CB 0.311 29.008 28.738 -0.068 0.000 1.233 283 Q HN 0.429 nan 8.270 nan 0.000 0.401 284 Y N -0.259 120.051 120.300 0.017 0.000 2.524 284 Y HA 0.767 5.317 4.550 0.000 0.000 0.347 284 Y C -1.246 174.646 175.900 -0.013 0.000 1.005 284 Y CA -1.085 57.060 58.100 0.076 0.000 1.025 284 Y CB 1.737 40.325 38.460 0.214 0.000 1.275 284 Y HN 0.436 nan 8.280 nan 0.000 0.460 285 S N 2.193 117.905 115.700 0.020 0.000 2.540 285 S HA 0.708 5.178 4.470 0.000 0.000 0.275 285 S C -1.855 172.708 174.600 -0.062 0.000 1.123 285 S CA -0.919 57.190 58.200 -0.152 0.000 0.907 285 S CB 1.521 64.565 63.200 -0.260 0.000 1.081 285 S HN 0.858 nan 8.310 nan 0.000 0.476 286 Y N -1.431 118.772 120.300 -0.162 0.000 2.558 286 Y HA 0.806 5.356 4.550 0.000 0.000 0.333 286 Y C -0.269 175.438 175.900 -0.321 0.000 1.125 286 Y CA -1.291 56.636 58.100 -0.288 0.000 1.039 286 Y CB 0.475 38.677 38.460 -0.429 0.000 1.331 286 Y HN 0.747 nan 8.280 nan 0.000 0.456 287 G N 1.175 109.850 108.800 -0.208 0.000 2.400 287 G HA2 0.397 4.357 3.960 0.000 0.000 0.301 287 G HA3 0.397 4.357 3.960 0.000 0.000 0.301 287 G C -2.193 172.680 174.900 -0.045 0.000 1.154 287 G CA -0.555 44.276 45.100 -0.448 0.000 0.852 287 G HN 0.749 nan 8.290 nan 0.000 0.511 288 W N 3.624 124.716 121.300 -0.346 0.000 2.499 288 W HA 0.627 5.287 4.660 0.000 0.000 0.320 288 W C -2.387 174.290 176.519 0.264 0.000 1.010 288 W CA -2.566 54.827 57.345 0.080 0.000 1.267 288 W CB 1.378 30.915 29.460 0.130 0.000 1.316 288 W HN 0.222 nan 8.180 nan 0.000 0.431 289 F N 8.211 128.523 119.950 0.602 0.000 2.445 289 F HA 0.468 4.995 4.527 0.000 0.000 0.348 289 F C -0.730 175.305 175.800 0.392 0.000 1.125 289 F CA -1.672 56.608 58.000 0.465 0.000 0.983 289 F CB 1.326 40.539 39.000 0.355 0.000 1.198 289 F HN 0.239 nan 8.300 nan 0.000 0.436 290 M N 6.102 125.684 119.600 -0.030 0.000 2.111 290 M HA 0.226 4.706 4.480 0.000 0.000 0.351 290 M C -0.721 175.210 176.300 -0.615 0.000 1.214 290 M CA -0.414 54.725 55.300 -0.268 0.000 1.120 290 M CB 0.089 32.579 32.600 -0.184 0.000 1.443 290 M HN 0.508 nan 8.290 nan 0.000 0.429 291 D N 4.947 124.846 120.400 -0.835 0.000 2.416 291 D HA 0.148 4.788 4.640 0.000 0.000 0.240 291 D C -1.290 174.862 176.300 -0.247 0.000 1.250 291 D CA 0.592 54.142 54.000 -0.749 0.000 0.967 291 D CB 0.193 40.712 40.800 -0.468 0.000 1.059 291 D HN 0.625 nan 8.370 nan 0.000 0.512 292 N N 2.931 121.554 118.700 -0.128 0.000 2.371 292 N HA 0.088 4.828 4.740 0.000 0.000 0.280 292 N C 0.028 175.402 175.510 -0.225 0.000 1.084 292 N CA -0.475 52.488 53.050 -0.146 0.000 0.892 292 N CB 1.992 40.404 38.487 -0.124 0.000 1.653 292 N HN 0.053 nan 8.380 nan 0.000 0.480 293 V N 0.296 120.016 119.914 -0.324 0.000 3.427 293 V HA 0.315 4.435 4.120 0.000 0.000 0.305 293 V C 0.942 176.882 176.094 -0.257 0.000 1.412 293 V CA 0.019 62.040 62.300 -0.465 0.000 1.086 293 V CB -0.397 31.052 31.823 -0.624 0.000 0.964 293 V HN 0.558 nan 8.190 nan 0.000 0.439 294 S N 0.063 115.681 115.700 -0.136 0.000 2.681 294 S HA 0.368 4.839 4.470 0.000 0.000 0.270 294 S C 0.187 174.757 174.600 -0.049 0.000 1.209 294 S CA -0.302 57.872 58.200 -0.044 0.000 0.988 294 S CB 0.918 64.179 63.200 0.102 0.000 1.006 294 S HN 0.664 nan 8.310 nan 0.000 0.558 295 Q N 0.963 120.771 119.800 0.013 0.000 2.308 295 Q HA 0.188 4.528 4.340 0.000 0.000 0.313 295 Q C -0.289 175.544 176.000 -0.278 0.000 1.075 295 Q CA 0.145 55.906 55.803 -0.071 0.000 0.995 295 Q CB 0.085 28.836 28.738 0.022 0.000 1.107 295 Q HN 0.810 nan 8.270 nan 0.000 0.380 296 S N 3.282 118.726 115.700 -0.427 0.000 2.677 296 S HA 0.724 5.194 4.470 0.000 0.000 0.304 296 S C -1.332 172.797 174.600 -0.784 0.000 1.108 296 S CA -0.781 57.159 58.200 -0.432 0.000 0.944 296 S CB 1.010 64.109 63.200 -0.168 0.000 1.127 296 S HN 0.576 nan 8.310 nan 0.000 0.511 297 Y N -0.704 119.441 120.300 -0.258 0.000 2.524 297 Y HA 0.685 5.235 4.550 0.001 0.000 0.347 297 Y C -0.687 175.114 175.900 -0.163 0.000 1.005 297 Y CA -1.086 56.873 58.100 -0.235 0.000 1.025 297 Y CB 2.223 40.465 38.460 -0.362 0.000 1.275 297 Y HN 0.593 nan 8.280 nan 0.000 0.460 298 M N 3.078 122.648 119.600 -0.050 0.000 2.165 298 M HA 0.315 4.795 4.480 0.000 0.000 0.283 298 M C -1.265 174.844 176.300 -0.319 0.000 0.978 298 M CA -0.382 54.780 55.300 -0.230 0.000 0.948 298 M CB 1.700 34.163 32.600 -0.228 0.000 1.599 298 M HN 0.488 nan 8.290 nan 0.000 0.450 299 N N 1.787 120.114 118.700 -0.623 0.000 2.479 299 N HA 0.344 5.085 4.740 0.000 0.000 0.261 299 N C -0.399 174.725 175.510 -0.643 0.000 0.979 299 N CA -0.137 52.500 53.050 -0.688 0.000 0.930 299 N CB 1.587 39.336 38.487 -1.231 0.000 1.172 299 N HN 0.787 nan 8.380 nan 0.000 0.499 300 T N -0.083 114.133 114.554 -0.563 0.000 3.287 300 T HA 0.370 4.720 4.350 0.000 0.000 0.253 300 T C 0.897 175.256 174.700 -0.568 0.000 0.975 300 T CA -0.017 61.597 62.100 -0.810 0.000 0.912 300 T CB -0.327 67.977 68.868 -0.940 0.000 1.071 300 T HN 0.631 nan 8.240 nan 0.000 0.578 301 G N 0.922 109.504 108.800 -0.362 0.000 2.237 301 G HA2 -0.114 3.846 3.960 0.000 0.000 0.153 301 G HA3 -0.114 3.846 3.960 0.000 0.000 0.153 301 G C -0.656 174.160 174.900 -0.141 0.000 1.039 301 G CA -0.495 44.485 45.100 -0.200 0.000 0.719 301 G HN 0.604 nan 8.290 nan 0.000 0.491 302 D N 0.601 120.924 120.400 -0.128 0.000 2.280 302 D HA 0.576 5.216 4.640 0.000 0.000 0.236 302 D C 1.729 178.032 176.300 0.006 0.000 1.082 302 D CA 0.347 54.307 54.000 -0.067 0.000 0.834 302 D CB 1.213 41.987 40.800 -0.042 0.000 1.100 302 D HN 0.204 nan 8.370 nan 0.000 0.486 303 T N -0.451 114.097 114.554 -0.010 0.000 3.107 303 T HA 0.064 4.414 4.350 0.000 0.000 0.249 303 T C 0.735 175.427 174.700 -0.013 0.000 1.096 303 T CA -0.178 61.924 62.100 0.003 0.000 1.012 303 T CB -0.345 68.513 68.868 -0.017 0.000 0.977 303 T HN 0.281 nan 8.240 nan 0.000 0.527 304 T N 2.924 117.438 114.554 -0.067 0.000 2.934 304 T HA 0.006 4.356 4.350 0.000 0.000 0.306 304 T C 0.163 174.838 174.700 -0.042 0.000 1.042 304 T CA -0.019 61.898 62.100 -0.303 0.000 1.145 304 T CB -0.256 68.215 68.868 -0.663 0.000 0.982 304 T HN 0.589 nan 8.240 nan 0.000 0.544 305 W N 1.284 122.638 121.300 0.091 0.000 4.233 305 W HA -0.282 4.378 4.660 0.000 0.000 0.328 305 W C 0.391 176.957 176.519 0.078 0.000 1.212 305 W CA 0.227 57.630 57.345 0.098 0.000 0.752 305 W CB -2.887 26.681 29.460 0.179 0.000 2.277 305 W HN 0.977 nan 8.180 nan 0.000 1.465 306 N N -1.361 117.451 118.700 0.186 0.000 2.678 306 N HA -0.255 4.486 4.740 0.000 0.000 0.249 306 N C 1.174 176.776 175.510 0.154 0.000 1.119 306 N CA 1.801 54.927 53.050 0.126 0.000 0.718 306 N CB -1.557 36.979 38.487 0.082 0.000 1.060 306 N HN 0.552 nan 8.380 nan 0.000 0.552 307 S N -2.075 113.774 115.700 0.248 0.000 2.399 307 S HA 0.127 4.598 4.470 0.000 0.000 0.231 307 S C 1.155 175.913 174.600 0.264 0.000 1.022 307 S CA 1.011 59.372 58.200 0.269 0.000 0.983 307 S CB 0.349 63.780 63.200 0.384 0.000 0.803 307 S HN 0.692 nan 8.310 nan 0.000 0.480 308 G N -0.724 108.194 108.800 0.196 0.000 2.731 308 G HA2 0.616 4.576 3.960 0.000 0.000 0.309 308 G HA3 0.616 4.576 3.960 0.000 0.000 0.309 308 G C -2.081 172.868 174.900 0.081 0.000 1.273 308 G CA -0.925 44.293 45.100 0.197 0.000 0.798 308 G HN 0.271 nan 8.290 nan 0.000 0.509 309 Q N -0.688 119.145 119.800 0.055 0.000 2.397 309 Q HA 0.333 4.673 4.340 0.000 0.000 0.275 309 Q C 0.294 176.287 176.000 -0.012 0.000 1.090 309 Q CA -0.697 55.115 55.803 0.014 0.000 0.809 309 Q CB 3.161 31.905 28.738 0.009 0.000 1.362 309 Q HN 0.666 nan 8.270 nan 0.000 0.431 310 E N 0.719 120.907 120.200 -0.020 0.000 2.171 310 E HA -0.198 4.153 4.350 0.000 0.000 0.197 310 E C -0.038 176.545 176.600 -0.028 0.000 0.997 310 E CA 1.132 57.514 56.400 -0.030 0.000 0.810 310 E CB 0.240 29.928 29.700 -0.019 0.000 0.738 310 E HN 0.494 nan 8.360 nan 0.000 0.467 311 D N -0.222 120.162 120.400 -0.027 0.000 2.388 311 D HA 0.170 4.810 4.640 0.000 0.000 0.221 311 D C -0.072 176.193 176.300 -0.058 0.000 1.133 311 D CA 0.269 54.240 54.000 -0.048 0.000 0.831 311 D CB 0.390 41.156 40.800 -0.057 0.000 0.962 311 D HN 0.067 nan 8.370 nan 0.000 0.502 312 L N 0.095 121.307 121.223 -0.018 0.000 2.371 312 L HA 0.759 5.099 4.340 0.000 0.000 0.262 312 L C -0.594 176.294 176.870 0.030 0.000 1.006 312 L CA -1.111 53.748 54.840 0.032 0.000 0.818 312 L CB 2.290 44.391 42.059 0.071 0.000 1.354 312 L HN -0.201 nan 8.230 nan 0.000 0.415 313 A N 1.582 124.480 122.820 0.129 0.000 2.414 313 A HA 0.874 5.194 4.320 0.000 0.000 0.306 313 A C -1.726 176.059 177.584 0.336 0.000 1.054 313 A CA -0.393 51.682 52.037 0.064 0.000 0.724 313 A CB 1.595 20.667 19.000 0.120 0.000 1.267 313 A HN 0.653 nan 8.150 nan 0.000 0.418 314 Y N -0.887 119.483 120.300 0.118 0.000 2.597 314 Y HA 0.842 5.392 4.550 0.000 0.000 0.340 314 Y C -0.977 174.839 175.900 -0.141 0.000 1.097 314 Y CA -1.667 56.530 58.100 0.163 0.000 1.037 314 Y CB 1.271 39.817 38.460 0.143 0.000 1.305 314 Y HN 0.583 nan 8.280 nan 0.000 0.463 315 M N 1.813 121.502 119.600 0.148 0.000 2.602 315 M HA 0.798 5.278 4.480 0.000 0.000 0.312 315 M C -0.308 176.192 176.300 0.335 0.000 1.181 315 M CA -0.701 54.612 55.300 0.022 0.000 0.910 315 M CB 2.628 34.985 32.600 -0.404 0.000 1.723 315 M HN 1.102 nan 8.290 nan 0.000 0.459 316 G N 0.664 109.647 108.800 0.305 0.000 2.649 316 G HA2 0.881 4.841 3.960 0.000 0.000 0.290 316 G HA3 0.881 4.841 3.960 0.000 0.000 0.290 316 G C -2.357 172.658 174.900 0.192 0.000 1.426 316 G CA -0.528 44.798 45.100 0.377 0.000 0.794 316 G HN 0.897 nan 8.290 nan 0.000 0.483 317 A N -0.854 122.104 122.820 0.231 0.000 2.606 317 A HA 0.679 4.999 4.320 0.000 0.000 0.293 317 A C 0.397 178.101 177.584 0.201 0.000 1.082 317 A CA -0.345 51.772 52.037 0.134 0.000 0.685 317 A CB 1.629 20.666 19.000 0.061 0.000 1.284 317 A HN 0.429 nan 8.150 nan 0.000 0.408 318 Q N -0.603 119.303 119.800 0.176 0.000 2.224 318 Q HA 0.014 4.354 4.340 0.000 0.000 0.203 318 Q C -0.750 175.155 176.000 -0.159 0.000 0.970 318 Q CA 1.601 57.469 55.803 0.108 0.000 0.865 318 Q CB -0.081 28.784 28.738 0.212 0.000 0.922 318 Q HN 0.647 nan 8.270 nan 0.000 0.445 319 Y N -1.632 118.709 120.300 0.070 0.000 2.553 319 Y HA 0.499 5.050 4.550 0.000 0.000 0.347 319 Y C 0.767 176.679 175.900 0.020 0.000 1.019 319 Y CA -0.859 57.268 58.100 0.045 0.000 1.032 319 Y CB 1.415 39.906 38.460 0.053 0.000 1.284 319 Y HN -0.070 nan 8.280 nan 0.000 0.466 320 G N 1.715 110.597 108.800 0.137 0.000 2.653 320 G HA2 0.428 4.389 3.960 0.000 0.000 0.265 320 G HA3 0.428 4.389 3.960 0.000 0.000 0.265 320 G C -2.527 172.408 174.900 0.059 0.000 1.237 320 G CA -0.915 44.203 45.100 0.031 0.000 0.946 320 G HN 0.363 nan 8.290 nan 0.000 0.522 321 P HA 0.364 nan 4.420 nan 0.000 0.297 321 P C -1.343 175.897 177.300 -0.100 0.000 1.307 321 P CA -0.706 62.352 63.100 -0.069 0.000 0.773 321 P CB 1.051 32.741 31.700 -0.018 0.000 1.265 322 F N 0.545 120.249 119.950 -0.411 0.000 2.411 322 F HA 0.457 4.984 4.527 0.000 0.000 0.352 322 F C -0.572 175.089 175.800 -0.231 0.000 1.123 322 F CA -0.078 57.668 58.000 -0.424 0.000 1.044 322 F CB 0.870 39.259 39.000 -1.018 0.000 1.135 322 F HN 0.101 nan 8.300 nan 0.000 0.461 323 D N 5.486 125.783 120.400 -0.172 0.000 2.452 323 D HA 0.147 4.787 4.640 0.000 0.000 0.226 323 D C -1.691 174.542 176.300 -0.111 0.000 1.366 323 D CA -0.207 53.786 54.000 -0.013 0.000 0.986 323 D CB 1.401 42.211 40.800 0.017 0.000 1.420 323 D HN 0.718 nan 8.370 nan 0.000 0.583 324 Q N 2.753 122.546 119.800 -0.011 0.000 2.372 324 Q HA 0.509 4.849 4.340 0.000 0.000 0.273 324 Q C -1.478 174.577 176.000 0.091 0.000 1.078 324 Q CA -0.669 55.183 55.803 0.082 0.000 0.806 324 Q CB 1.556 30.375 28.738 0.135 0.000 1.332 324 Q HN 0.462 nan 8.270 nan 0.000 0.435 325 H N 1.783 121.034 119.070 0.302 0.000 2.524 325 H HA 0.462 5.019 4.556 0.000 0.000 0.353 325 H C -1.668 173.839 175.328 0.299 0.000 1.136 325 H CA -0.432 55.802 56.048 0.310 0.000 1.193 325 H CB 1.461 31.492 29.762 0.449 0.000 1.558 325 H HN 0.548 nan 8.280 nan 0.000 0.515 326 F N 3.307 123.265 119.950 0.013 0.000 2.449 326 F HA 0.548 5.076 4.527 0.000 0.000 0.342 326 F C -1.305 174.573 175.800 0.131 0.000 1.127 326 F CA -0.774 57.197 58.000 -0.049 0.000 0.975 326 F CB 0.894 39.588 39.000 -0.511 0.000 1.146 326 F HN 0.282 nan 8.300 nan 0.000 0.444 327 V N 8.531 128.337 119.914 -0.180 0.000 2.327 327 V HA 0.066 4.186 4.120 0.000 0.000 0.272 327 V C 0.099 176.136 176.094 -0.094 0.000 1.019 327 V CA -0.451 61.866 62.300 0.028 0.000 0.814 327 V CB 0.431 32.382 31.823 0.215 0.000 1.040 327 V HN 0.942 nan 8.190 nan 0.000 0.440 328 Y N 4.181 124.381 120.300 -0.168 0.000 2.395 328 Y HA 0.408 4.958 4.550 0.000 0.000 0.293 328 Y C 1.400 177.337 175.900 0.060 0.000 1.123 328 Y CA 1.278 59.351 58.100 -0.045 0.000 1.227 328 Y CB 0.182 38.736 38.460 0.158 0.000 1.012 328 Y HN 0.773 nan 8.280 nan 0.000 0.552 329 G N -0.708 108.182 108.800 0.149 0.000 2.730 329 G HA2 -0.017 3.943 3.960 0.000 0.000 0.686 329 G HA3 -0.017 3.943 3.960 0.000 0.000 0.686 329 G C 0.478 175.462 174.900 0.139 0.000 1.343 329 G CA -0.393 44.758 45.100 0.085 0.000 0.826 329 G HN 0.775 nan 8.290 nan 0.000 0.582 330 A N 0.442 123.330 122.820 0.113 0.000 1.861 330 A HA 0.622 4.942 4.320 0.000 0.000 0.212 330 A C 2.061 179.697 177.584 0.086 0.000 1.199 330 A CA 2.355 54.464 52.037 0.119 0.000 0.613 330 A CB -0.733 18.330 19.000 0.106 0.000 0.846 330 A HN 2.405 nan 8.150 nan 0.000 0.446 331 G N -1.372 107.448 108.800 0.034 0.000 2.510 331 G HA2 0.463 4.423 3.960 0.000 0.000 0.280 331 G HA3 0.463 4.423 3.960 0.000 0.000 0.280 331 G C 0.311 175.186 174.900 -0.042 0.000 1.386 331 G CA -0.042 45.061 45.100 0.005 0.000 1.047 331 G HN 0.737 nan 8.290 nan 0.000 0.527 332 G N -2.367 106.400 108.800 -0.055 0.000 2.412 332 G HA2 0.679 4.639 3.960 0.000 0.000 0.318 332 G HA3 0.679 4.639 3.960 0.000 0.000 0.318 332 G C 0.236 175.063 174.900 -0.122 0.000 1.146 332 G CA 0.454 45.497 45.100 -0.096 0.000 0.882 332 G HN 1.884 nan 8.290 nan 0.000 0.501 333 G N -0.011 108.695 108.800 -0.156 0.000 2.619 333 G HA2 -0.092 3.868 3.960 0.000 0.000 0.686 333 G HA3 -0.092 3.868 3.960 0.000 0.000 0.686 333 G C 0.789 175.601 174.900 -0.148 0.000 1.256 333 G CA 0.060 45.073 45.100 -0.145 0.000 0.826 333 G HN 0.704 nan 8.290 nan 0.000 0.619 334 M N 0.069 119.581 119.600 -0.146 0.000 2.159 334 M HA 0.020 4.501 4.480 0.000 0.000 0.263 334 M C 1.618 177.885 176.300 -0.054 0.000 1.063 334 M CA 1.506 56.720 55.300 -0.143 0.000 1.110 334 M CB -0.173 32.300 32.600 -0.212 0.000 1.374 334 M HN 0.720 nan 8.290 nan 0.000 0.411 338 V N 0.243 120.287 119.914 0.218 0.000 2.343 338 V HA -0.268 3.852 4.120 0.000 0.000 0.247 338 V C 2.481 178.663 176.094 0.148 0.000 1.051 338 V CA 3.128 65.575 62.300 0.245 0.000 1.036 338 V CB -0.712 31.204 31.823 0.156 0.000 0.654 338 V HN 0.629 nan 8.190 nan 0.000 0.451 339 T N -0.254 114.363 114.554 0.105 0.000 2.777 339 T HA -0.120 4.230 4.350 0.000 0.000 0.266 339 T C 1.960 176.718 174.700 0.098 0.000 1.040 339 T CA 1.630 63.775 62.100 0.075 0.000 1.141 339 T CB -0.249 68.659 68.868 0.068 0.000 0.868 339 T HN 0.560 nan 8.240 nan 0.000 0.444 340 A N 0.469 123.373 122.820 0.140 0.000 1.969 340 A HA 0.034 4.355 4.320 0.000 0.000 0.218 340 A C 1.961 179.672 177.584 0.211 0.000 1.169 340 A CA 1.061 53.202 52.037 0.174 0.000 0.635 340 A CB -0.841 18.272 19.000 0.189 0.000 0.810 340 A HN 0.521 nan 8.150 nan 0.000 0.445 341 F N 2.027 121.973 119.950 -0.007 0.000 2.134 341 F HA -0.168 4.359 4.527 0.001 0.000 0.299 341 F C 2.775 178.447 175.800 -0.214 0.000 1.097 341 F CA 1.497 59.394 58.000 -0.171 0.000 1.264 341 F CB -0.701 38.056 39.000 -0.406 0.000 1.001 341 F HN 0.343 nan 8.300 nan 0.000 0.479 342 S N 0.123 115.725 115.700 -0.164 0.000 2.399 342 S HA -0.182 4.289 4.470 0.000 0.000 0.231 342 S C 2.080 176.605 174.600 -0.125 0.000 1.022 342 S CA 1.164 59.216 58.200 -0.246 0.000 0.983 342 S CB -1.058 62.032 63.200 -0.182 0.000 0.803 342 S HN 0.381 nan 8.310 nan 0.000 0.480 343 L N 1.457 122.671 121.223 -0.015 0.000 2.056 343 L HA 0.185 4.525 4.340 0.000 0.000 0.207 343 L C 2.232 179.135 176.870 0.055 0.000 1.078 343 L CA 1.535 56.405 54.840 0.050 0.000 0.749 343 L CB -0.728 41.414 42.059 0.137 0.000 0.901 343 L HN 0.376 nan 8.230 nan 0.000 0.433 344 L N -0.794 120.460 121.223 0.052 0.000 2.131 344 L HA -0.210 4.130 4.340 0.000 0.000 0.210 344 L C 2.229 179.069 176.870 -0.051 0.000 1.092 344 L CA 1.237 56.111 54.840 0.057 0.000 0.759 344 L CB -0.560 41.559 42.059 0.100 0.000 0.903 344 L HN 0.430 nan 8.230 nan 0.000 0.435 345 Q N -0.066 119.627 119.800 -0.179 0.000 2.360 345 Q HA 0.137 4.477 4.340 0.000 0.000 0.202 345 Q C 1.101 177.031 176.000 -0.118 0.000 0.915 345 Q CA -0.051 55.632 55.803 -0.200 0.000 0.943 345 Q CB 0.239 28.769 28.738 -0.348 0.000 1.064 345 Q HN 0.458 nan 8.270 nan 0.000 0.511 346 G N 0.864 109.624 108.800 -0.066 0.000 2.651 346 G HA2 0.071 4.031 3.960 0.000 0.000 0.260 346 G HA3 0.071 4.031 3.960 0.000 0.000 0.260 346 G C 0.457 175.283 174.900 -0.123 0.000 1.216 346 G CA -0.350 44.710 45.100 -0.065 0.000 0.913 346 G HN -0.004 nan 8.290 nan 0.000 0.535 347 K N -0.318 119.958 120.400 -0.206 0.000 2.564 347 K HA 0.146 4.467 4.320 0.000 0.000 0.205 347 K C 1.405 177.707 176.600 -0.496 0.000 1.053 347 K CA -0.119 55.963 56.287 -0.342 0.000 1.072 347 K CB 1.047 33.336 32.500 -0.353 0.000 0.822 347 K HN 0.491 nan 8.250 nan 0.000 0.497 348 E N 0.353 120.218 120.200 -0.559 0.000 2.171 348 E HA -0.191 4.159 4.350 0.000 0.000 0.197 348 E C 1.378 177.324 176.600 -1.091 0.000 0.997 348 E CA 1.376 57.199 56.400 -0.962 0.000 0.810 348 E CB -0.460 28.205 29.700 -1.724 0.000 0.738 348 E HN 0.471 nan 8.360 nan 0.000 0.467 349 F N 0.335 119.777 119.950 -0.846 0.000 2.451 349 F HA 0.034 4.562 4.527 0.000 0.000 0.299 349 F C 1.297 176.976 175.800 -0.201 0.000 1.101 349 F CA 0.783 58.520 58.000 -0.440 0.000 1.436 349 F CB -0.151 38.784 39.000 -0.109 0.000 1.074 349 F HN -0.081 nan 8.300 nan 0.000 0.553 350 E N 0.028 119.647 120.200 -0.968 0.000 2.474 350 E HA 0.005 4.355 4.350 0.000 0.000 0.195 350 E C -0.164 176.226 176.600 -0.350 0.000 1.039 350 E CA 0.159 56.138 56.400 -0.701 0.000 0.881 350 E CB -0.134 29.082 29.700 -0.806 0.000 0.970 350 E HN 0.343 nan 8.360 nan 0.000 0.486 351 N N 2.266 120.779 118.700 -0.311 0.000 2.758 351 N HA -0.140 4.600 4.740 0.000 0.000 0.248 351 N C -0.835 174.588 175.510 -0.145 0.000 1.076 351 N CA 0.646 53.596 53.050 -0.166 0.000 0.696 351 N CB -0.974 37.477 38.487 -0.060 0.000 0.979 351 N HN 0.274 nan 8.380 nan 0.000 0.550 352 Q N 0.491 120.169 119.800 -0.205 0.000 2.271 352 Q HA 0.104 4.444 4.340 0.000 0.000 0.273 352 Q C 1.847 177.801 176.000 -0.078 0.000 1.051 352 Q CA 0.106 55.821 55.803 -0.147 0.000 0.901 352 Q CB 0.906 29.532 28.738 -0.187 0.000 1.174 352 Q HN 0.359 nan 8.270 nan 0.000 0.385 353 V N 1.220 121.132 119.914 -0.003 0.000 2.719 353 V HA -0.123 3.997 4.120 0.000 0.000 0.252 353 V C 1.300 177.467 176.094 0.123 0.000 1.065 353 V CA 1.126 63.485 62.300 0.099 0.000 1.086 353 V CB -0.328 31.601 31.823 0.177 0.000 0.700 353 V HN 0.574 nan 8.190 nan 0.000 0.467 354 L N -0.242 120.971 121.223 -0.016 0.000 2.638 354 L HA 0.535 4.875 4.340 0.000 0.000 0.195 354 L C 0.904 177.616 176.870 -0.263 0.000 1.065 354 L CA 0.905 55.629 54.840 -0.193 0.000 0.859 354 L CB -0.111 41.766 42.059 -0.304 0.000 1.269 354 L HN 0.215 nan 8.230 nan 0.000 0.484 355 N N 1.095 119.673 118.700 -0.203 0.000 3.331 355 N HA 0.107 4.847 4.740 0.000 0.000 0.303 355 N C 0.561 175.964 175.510 -0.178 0.000 1.326 355 N CA 0.064 52.991 53.050 -0.205 0.000 1.207 355 N CB 0.398 38.797 38.487 -0.146 0.000 1.477 355 N HN 0.445 nan 8.380 nan 0.000 0.541 356 K N 0.279 120.545 120.400 -0.223 0.000 2.076 356 K HA 0.078 4.398 4.320 0.000 0.000 0.204 356 K C 1.116 177.650 176.600 -0.110 0.000 1.051 356 K CA 0.765 56.934 56.287 -0.197 0.000 0.949 356 K CB 0.398 32.763 32.500 -0.226 0.000 0.726 356 K HN 0.092 nan 8.250 nan 0.000 0.443 357 R N 0.303 120.696 120.500 -0.179 0.000 2.404 357 R HA 0.176 4.516 4.340 0.000 0.000 0.237 357 R C 0.420 176.433 176.300 -0.479 0.000 0.907 357 R CA 0.255 56.242 56.100 -0.188 0.000 1.063 357 R CB 1.032 31.196 30.300 -0.227 0.000 1.134 357 R HN 0.221 nan 8.270 nan 0.000 0.529 358 S N -1.240 114.169 115.700 -0.485 0.000 2.645 358 S HA 0.276 4.747 4.470 0.000 0.000 0.268 358 S C -0.655 173.747 174.600 -0.330 0.000 1.110 358 S CA -0.888 56.947 58.200 -0.609 0.000 0.823 358 S CB 1.163 64.078 63.200 -0.476 0.000 1.091 358 S HN -0.039 nan 8.310 nan 0.000 0.466 359 V N -0.205 119.563 119.914 -0.243 0.000 2.481 359 V HA 0.666 4.786 4.120 0.000 0.000 0.286 359 V C 0.296 176.327 176.094 -0.104 0.000 1.042 359 V CA -0.899 61.324 62.300 -0.129 0.000 0.928 359 V CB 0.986 32.780 31.823 -0.047 0.000 0.986 359 V HN 0.915 nan 8.190 nan 0.000 0.462 360 M N 6.340 125.836 119.600 -0.174 0.000 2.228 360 M HA 0.386 4.867 4.480 0.000 0.000 0.351 360 M C -2.050 174.121 176.300 -0.216 0.000 1.233 360 M CA -1.646 53.510 55.300 -0.240 0.000 1.129 360 M CB 0.656 33.062 32.600 -0.324 0.000 1.604 360 M HN 0.615 nan 8.290 nan 0.000 0.457 361 P HA 0.494 nan 4.420 nan 0.000 0.281 361 P C -2.853 174.177 177.300 -0.450 0.000 1.281 361 P CA -1.705 60.957 63.100 -0.729 0.000 0.811 361 P CB -0.315 30.552 31.700 -1.389 0.000 1.154 362 P HA 0.148 nan 4.420 nan 0.000 0.274 362 P C 0.791 177.681 177.300 -0.683 0.000 1.231 362 P CA -0.197 62.487 63.100 -0.693 0.000 0.790 362 P CB 0.425 31.327 31.700 -1.330 0.000 0.951 363 K N 3.094 123.176 120.400 -0.530 0.000 2.173 363 K HA -0.244 4.076 4.320 0.000 0.000 0.207 363 K C 1.680 178.023 176.600 -0.429 0.000 1.046 363 K CA 2.103 57.984 56.287 -0.677 0.000 0.929 363 K CB -1.413 30.565 32.500 -0.870 0.000 0.720 363 K HN 0.561 nan 8.250 nan 0.000 0.453 364 Y N -1.205 118.842 120.300 -0.422 0.000 2.421 364 Y HA 0.039 4.589 4.550 0.001 0.000 0.292 364 Y C 1.638 177.445 175.900 -0.154 0.000 1.136 364 Y CA 0.474 58.382 58.100 -0.320 0.000 1.255 364 Y CB -1.046 37.176 38.460 -0.397 0.000 0.991 364 Y HN -0.116 nan 8.280 nan 0.000 0.552 365 V N 0.246 119.952 119.914 -0.347 0.000 2.688 365 V HA -0.267 3.853 4.120 0.000 0.000 0.256 365 V C 1.444 177.485 176.094 -0.088 0.000 1.084 365 V CA 1.590 63.728 62.300 -0.269 0.000 1.103 365 V CB -1.027 30.283 31.823 -0.856 0.000 0.688 365 V HN 0.373 nan 8.190 nan 0.000 0.480 366 F N 0.607 120.591 119.950 0.056 0.000 2.773 366 F HA 0.360 4.887 4.527 0.000 0.000 0.304 366 F C 1.629 177.439 175.800 0.016 0.000 1.129 366 F CA -0.139 57.891 58.000 0.050 0.000 1.378 366 F CB -0.838 38.111 39.000 -0.085 0.000 1.095 366 F HN 0.140 nan 8.300 nan 0.000 0.565 367 G N -0.556 108.346 108.800 0.170 0.000 2.580 367 G HA2 0.211 4.171 3.960 0.000 0.000 0.278 367 G HA3 0.211 4.171 3.960 0.000 0.000 0.278 367 G C -1.107 173.937 174.900 0.240 0.000 1.212 367 G CA -0.415 44.703 45.100 0.029 0.000 0.939 367 G HN 0.069 nan 8.290 nan 0.000 0.513 368 F N 0.830 120.897 119.950 0.195 0.000 2.390 368 F HA 0.626 5.153 4.527 0.000 0.000 0.361 368 F C -0.920 174.661 175.800 -0.365 0.000 1.124 368 F CA -1.893 56.158 58.000 0.086 0.000 1.149 368 F CB 0.115 39.299 39.000 0.306 0.000 1.160 368 F HN 0.156 nan 8.300 nan 0.000 0.501 369 F N 3.840 123.242 119.950 -0.914 0.000 2.432 369 F HA 0.472 4.999 4.527 0.000 0.000 0.329 369 F C -0.122 175.127 175.800 -0.917 0.000 1.076 369 F CA -0.734 56.770 58.000 -0.827 0.000 1.018 369 F CB 1.592 40.304 39.000 -0.481 0.000 1.201 369 F HN 0.364 nan 8.300 nan 0.000 0.489 370 Q N 1.181 120.853 119.800 -0.213 0.000 2.330 370 Q HA 0.660 5.000 4.340 0.000 0.000 0.269 370 Q C -0.773 175.341 176.000 0.191 0.000 1.022 370 Q CA -0.489 55.329 55.803 0.025 0.000 0.796 370 Q CB 2.047 30.941 28.738 0.260 0.000 1.271 370 Q HN 0.816 nan 8.270 nan 0.000 0.450 371 G N 1.251 110.196 108.800 0.242 0.000 2.482 371 G HA2 0.678 4.639 3.960 0.000 0.000 0.317 371 G HA3 0.678 4.639 3.960 0.000 0.000 0.317 371 G C -1.499 173.696 174.900 0.491 0.000 1.241 371 G CA -0.618 44.706 45.100 0.374 0.000 0.967 371 G HN 0.496 nan 8.290 nan 0.000 0.482 372 V N 2.039 122.151 119.914 0.330 0.000 2.488 372 V HA 0.270 4.390 4.120 0.000 0.000 0.293 372 V C -1.138 175.024 176.094 0.113 0.000 1.027 372 V CA -0.777 61.517 62.300 -0.009 0.000 0.862 372 V CB 1.441 33.246 31.823 -0.030 0.000 1.008 372 V HN 0.696 nan 8.190 nan 0.000 0.428 373 F N 4.537 124.383 119.950 -0.174 0.000 2.468 373 F HA 0.647 5.175 4.527 0.000 0.000 0.356 373 F C 0.974 176.677 175.800 -0.162 0.000 1.167 373 F CA 0.123 58.108 58.000 -0.025 0.000 1.135 373 F CB 0.471 39.559 39.000 0.146 0.000 1.197 373 F HN 0.767 nan 8.300 nan 0.000 0.569 374 G N 2.920 111.526 108.800 -0.323 0.000 2.321 374 G HA2 -0.017 3.944 3.960 0.000 0.000 0.177 374 G HA3 -0.017 3.944 3.960 0.000 0.000 0.177 374 G C -0.287 174.521 174.900 -0.154 0.000 1.072 374 G CA -0.311 44.566 45.100 -0.371 0.000 0.768 374 G HN 1.004 nan 8.290 nan 0.000 0.481 375 T N -2.369 112.174 114.554 -0.019 0.000 2.859 375 T HA 0.741 5.091 4.350 0.000 0.000 0.281 375 T C 1.044 175.803 174.700 0.099 0.000 1.005 375 T CA 0.428 62.563 62.100 0.059 0.000 1.025 375 T CB 2.060 71.025 68.868 0.162 0.000 0.977 375 T HN 0.238 nan 8.240 nan 0.000 0.458 376 S N 1.735 117.410 115.700 -0.040 0.000 2.512 376 S HA 0.366 4.836 4.470 0.000 0.000 0.216 376 S C 0.520 174.898 174.600 -0.370 0.000 1.006 376 S CA 0.047 58.185 58.200 -0.105 0.000 0.915 376 S CB -0.023 63.112 63.200 -0.108 0.000 0.824 376 S HN 1.176 nan 8.310 nan 0.000 0.497 377 S N -0.277 115.018 115.700 -0.676 0.000 2.643 377 S HA 0.440 4.910 4.470 0.000 0.000 0.266 377 S C 0.006 174.012 174.600 -0.990 0.000 1.130 377 S CA -0.772 56.777 58.200 -1.086 0.000 0.817 377 S CB 0.565 63.460 63.200 -0.509 0.000 1.107 377 S HN -0.016 nan 8.310 nan 0.000 0.471 378 L N 0.941 121.627 121.223 -0.894 0.000 1.993 378 L HA 0.478 4.818 4.340 0.000 0.000 0.206 378 L C 0.338 176.861 176.870 -0.579 0.000 1.074 378 L CA 1.552 56.014 54.840 -0.631 0.000 0.746 378 L CB -0.758 40.956 42.059 -0.575 0.000 0.896 378 L HN 0.719 nan 8.230 nan 0.000 0.435 379 L N -0.311 120.634 121.223 -0.464 0.000 2.360 379 L HA 0.312 4.652 4.340 0.000 0.000 0.271 379 L C 1.667 178.378 176.870 -0.265 0.000 1.057 379 L CA -0.598 54.020 54.840 -0.369 0.000 0.803 379 L CB 1.269 43.147 42.059 -0.302 0.000 1.207 379 L HN 0.109 nan 8.230 nan 0.000 0.445 380 R N 1.465 121.841 120.500 -0.207 0.000 2.105 380 R HA -0.149 4.191 4.340 0.000 0.000 0.239 380 R C 1.974 178.159 176.300 -0.192 0.000 1.135 380 R CA 1.532 57.535 56.100 -0.162 0.000 0.967 380 R CB -0.326 29.906 30.300 -0.114 0.000 0.861 380 R HN 0.835 nan 8.270 nan 0.000 0.442 381 A N 0.554 123.208 122.820 -0.276 0.000 2.125 381 A HA -0.130 4.191 4.320 0.000 0.000 0.219 381 A C 0.815 178.090 177.584 -0.516 0.000 1.156 381 A CA 1.167 52.964 52.037 -0.400 0.000 0.671 381 A CB -0.181 18.517 19.000 -0.503 0.000 0.794 381 A HN 0.323 nan 8.150 nan 0.000 0.459 382 H N -2.132 116.866 119.070 -0.121 0.000 2.567 382 H HA 0.295 4.850 4.556 -0.001 0.000 0.267 382 H C -0.119 175.118 175.328 -0.153 0.000 1.148 382 H CA -0.369 55.605 56.048 -0.123 0.000 1.031 382 H CB -0.197 29.491 29.762 -0.124 0.000 1.691 382 H HN 0.435 nan 8.280 nan 0.000 0.588 383 M N 3.802 123.351 119.600 -0.085 0.000 2.146 383 M HA 0.222 4.703 4.480 0.000 0.000 0.352 383 M C -2.227 174.030 176.300 -0.071 0.000 1.343 383 M CA -1.385 53.848 55.300 -0.110 0.000 1.115 383 M CB 0.931 33.456 32.600 -0.125 0.000 1.657 383 M HN -0.082 nan 8.290 nan 0.000 0.471 384 P HA 0.193 nan 4.420 nan 0.000 0.271 384 P C -1.083 176.188 177.300 -0.047 0.000 1.218 384 P CA -0.324 62.747 63.100 -0.049 0.000 0.780 384 P CB 0.451 32.121 31.700 -0.050 0.000 0.901 385 A N 1.731 124.530 122.820 -0.035 0.000 2.425 385 A HA 0.588 4.909 4.320 0.000 0.000 0.242 385 A C 0.670 178.239 177.584 -0.025 0.000 1.077 385 A CA 0.627 52.648 52.037 -0.027 0.000 0.781 385 A CB -0.475 18.514 19.000 -0.018 0.000 1.020 385 A HN 0.852 nan 8.150 nan 0.000 0.494 386 G N 0.264 109.056 108.800 -0.013 0.000 2.402 386 G HA2 0.387 4.347 3.960 0.000 0.000 0.301 386 G HA3 0.387 4.347 3.960 0.000 0.000 0.301 386 G C -0.863 174.056 174.900 0.030 0.000 1.615 386 G CA -0.518 44.578 45.100 -0.006 0.000 0.889 386 G HN 0.959 nan 8.290 nan 0.000 0.647 387 E N 0.880 121.129 120.200 0.082 0.000 2.480 387 E HA 0.091 4.441 4.350 0.000 0.000 0.258 387 E C 1.086 177.820 176.600 0.223 0.000 0.984 387 E CA 0.792 57.294 56.400 0.170 0.000 0.930 387 E CB 0.140 30.011 29.700 0.284 0.000 0.936 387 E HN 0.672 nan 8.360 nan 0.000 0.466 388 N N 2.832 121.632 118.700 0.166 0.000 2.863 388 N HA -0.219 4.521 4.740 0.000 0.000 0.245 388 N C -1.117 174.453 175.510 0.100 0.000 1.001 388 N CA 1.014 54.163 53.050 0.164 0.000 0.901 388 N CB -1.206 37.456 38.487 0.291 0.000 1.124 388 N HN 0.523 nan 8.380 nan 0.000 0.582 389 N N 0.686 119.414 118.700 0.046 0.000 2.407 389 N HA 0.271 5.011 4.740 0.000 0.000 0.250 389 N C 0.013 175.524 175.510 0.001 0.000 1.236 389 N CA 0.536 53.584 53.050 -0.004 0.000 0.879 389 N CB 0.441 38.909 38.487 -0.032 0.000 1.088 389 N HN 0.478 nan 8.380 nan 0.000 0.450 390 I N -0.121 120.442 120.570 -0.012 0.000 2.802 390 I HA 0.315 4.485 4.170 0.000 0.000 0.298 390 I C -0.530 175.563 176.117 -0.041 0.000 1.176 390 I CA -0.575 60.724 61.300 -0.003 0.000 1.025 390 I CB 1.489 39.519 38.000 0.050 0.000 1.243 390 I HN 0.607 nan 8.210 nan 0.000 0.424 391 S N 4.535 120.199 115.700 -0.060 0.000 2.651 391 S HA 0.369 4.840 4.470 0.000 0.000 0.291 391 S C 0.917 175.482 174.600 -0.058 0.000 1.141 391 S CA -0.757 57.369 58.200 -0.123 0.000 1.027 391 S CB 1.890 64.984 63.200 -0.178 0.000 1.043 391 S HN 0.463 nan 8.310 nan 0.000 0.530 392 V N 1.459 121.319 119.914 -0.090 0.000 2.324 392 V HA -0.229 3.892 4.120 0.000 0.000 0.250 392 V C 2.757 178.870 176.094 0.032 0.000 1.060 392 V CA 2.548 64.850 62.300 0.005 0.000 1.042 392 V CB -1.231 30.559 31.823 -0.055 0.000 0.650 392 V HN 1.078 nan 8.190 nan 0.000 0.450 393 E N 0.195 120.324 120.200 -0.117 0.000 2.058 393 E HA -0.317 4.033 4.350 0.000 0.000 0.194 393 E C 2.288 178.937 176.600 0.082 0.000 0.997 393 E CA 1.886 58.297 56.400 0.018 0.000 0.801 393 E CB -0.236 29.405 29.700 -0.098 0.000 0.746 393 E HN 0.736 nan 8.360 nan 0.000 0.450 394 E N 0.140 120.348 120.200 0.013 0.000 2.118 394 E HA -0.210 4.140 4.350 0.000 0.000 0.195 394 E C 2.128 178.718 176.600 -0.016 0.000 0.992 394 E CA 1.411 57.806 56.400 -0.008 0.000 0.804 394 E CB -0.137 29.563 29.700 -0.000 0.000 0.741 394 E HN 0.403 nan 8.360 nan 0.000 0.458 395 I N 0.296 120.921 120.570 0.092 0.000 2.179 395 I HA -0.252 3.918 4.170 0.000 0.000 0.242 395 I C 2.374 178.536 176.117 0.075 0.000 1.088 395 I CA 0.700 62.108 61.300 0.180 0.000 1.357 395 I CB -0.143 38.030 38.000 0.288 0.000 1.051 395 I HN 0.057 nan 8.210 nan 0.000 0.409 396 V N 0.636 120.642 119.914 0.154 0.000 2.343 396 V HA -0.258 3.862 4.120 0.000 0.000 0.247 396 V C 2.347 178.442 176.094 0.001 0.000 1.051 396 V CA 1.856 64.255 62.300 0.164 0.000 1.036 396 V CB -0.656 31.409 31.823 0.403 0.000 0.654 396 V HN 0.431 nan 8.190 nan 0.000 0.451 397 E N 0.355 120.531 120.200 -0.039 0.000 2.051 397 E HA -0.155 4.196 4.350 0.000 0.000 0.192 397 E C 2.360 178.749 176.600 -0.351 0.000 0.991 397 E CA 1.246 57.571 56.400 -0.125 0.000 0.799 397 E CB -0.563 29.088 29.700 -0.082 0.000 0.748 397 E HN 0.636 nan 8.360 nan 0.000 0.449 398 G N 0.342 108.691 108.800 -0.752 0.000 2.469 398 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 398 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 398 G C 1.136 175.374 174.900 -1.103 0.000 1.150 398 G CA 1.000 45.133 45.100 -1.611 0.000 0.763 398 G HN 0.190 nan 8.290 nan 0.000 0.561 399 Y N 0.557 120.466 120.300 -0.651 0.000 2.153 399 Y HA -0.003 4.547 4.550 0.000 0.000 0.289 399 Y C 3.235 179.123 175.900 -0.020 0.000 1.127 399 Y CA 1.466 59.398 58.100 -0.279 0.000 1.131 399 Y CB -0.443 37.601 38.460 -0.693 0.000 0.995 399 Y HN 0.229 nan 8.280 nan 0.000 0.505 400 Q N -0.265 119.588 119.800 0.089 0.000 2.079 400 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 400 Q C 1.746 177.785 176.000 0.065 0.000 0.974 400 Q CA 1.267 57.139 55.803 0.113 0.000 0.840 400 Q CB -0.245 28.549 28.738 0.092 0.000 0.898 400 Q HN 0.443 nan 8.270 nan 0.000 0.430 401 N N 0.808 119.504 118.700 -0.008 0.000 2.364 401 N HA -0.083 4.657 4.740 0.000 0.000 0.183 401 N C 0.729 176.249 175.510 0.017 0.000 1.022 401 N CA 0.820 53.859 53.050 -0.018 0.000 0.883 401 N CB -0.069 38.375 38.487 -0.072 0.000 0.965 401 N HN 0.252 nan 8.380 nan 0.000 0.438 402 N N 0.773 119.521 118.700 0.079 0.000 2.238 402 N HA -0.002 4.739 4.740 0.000 0.000 0.222 402 N C -0.352 175.233 175.510 0.125 0.000 1.133 402 N CA -0.045 53.090 53.050 0.142 0.000 0.854 402 N CB 0.171 38.821 38.487 0.271 0.000 1.041 402 N HN 0.083 nan 8.380 nan 0.000 0.510 403 N N 0.465 119.240 118.700 0.125 0.000 2.740 403 N HA -0.214 4.526 4.740 0.000 0.000 0.248 403 N C -1.245 174.280 175.510 0.025 0.000 1.062 403 N CA 0.281 53.367 53.050 0.060 0.000 0.704 403 N CB -1.935 36.541 38.487 -0.018 0.000 0.968 403 N HN 0.141 nan 8.380 nan 0.000 0.547 404 F N 0.387 120.419 119.950 0.137 0.000 2.443 404 F HA 0.347 4.874 4.527 0.000 0.000 0.353 404 F C -1.305 174.557 175.800 0.103 0.000 1.101 404 F CA -1.662 56.436 58.000 0.164 0.000 1.226 404 F CB 0.637 39.853 39.000 0.360 0.000 1.140 404 F HN 0.036 nan 8.300 nan 0.000 0.557 405 P HA 0.055 nan 4.420 nan 0.000 0.267 405 P C -1.053 176.311 177.300 0.106 0.000 1.205 405 P CA 0.255 63.245 63.100 -0.184 0.000 0.765 405 P CB 0.261 31.426 31.700 -0.890 0.000 0.828 406 F N 2.638 122.581 119.950 -0.011 0.000 2.630 406 F HA 0.285 4.812 4.527 -0.000 0.000 0.325 406 F C 0.687 176.467 175.800 -0.034 0.000 1.184 406 F CA -0.756 57.262 58.000 0.030 0.000 1.011 406 F CB 2.015 41.009 39.000 -0.010 0.000 1.268 406 F HN 0.132 nan 8.300 nan 0.000 0.480 407 E N 3.116 122.823 120.200 -0.821 0.000 2.190 407 E HA 0.488 4.838 4.350 0.000 0.000 0.191 407 E C 0.816 176.830 176.600 -0.976 0.000 0.978 407 E CA 1.319 57.228 56.400 -0.817 0.000 0.839 407 E CB 0.342 29.354 29.700 -1.147 0.000 0.787 407 E HN 1.017 nan 8.360 nan 0.000 0.473 408 G N -1.302 106.591 108.800 -1.512 0.000 2.356 408 G HA2 0.160 4.121 3.960 0.000 0.000 0.266 408 G HA3 0.160 4.121 3.960 0.000 0.000 0.266 408 G C -1.658 173.056 174.900 -0.310 0.000 1.312 408 G CA -0.558 44.105 45.100 -0.728 0.000 0.922 408 G HN 0.045 nan 8.290 nan 0.000 0.480 409 L N 0.281 121.623 121.223 0.199 0.000 2.354 409 L HA 0.794 5.134 4.340 0.000 0.000 0.269 409 L C 0.407 177.464 176.870 0.311 0.000 1.005 409 L CA -0.903 54.121 54.840 0.306 0.000 0.819 409 L CB 2.340 44.600 42.059 0.334 0.000 1.311 409 L HN 1.004 nan 8.230 nan 0.000 0.423 410 A N 2.590 125.556 122.820 0.243 0.000 2.412 410 A HA 0.627 4.947 4.320 0.000 0.000 0.334 410 A C -0.533 177.279 177.584 0.379 0.000 1.419 410 A CA -0.462 51.719 52.037 0.241 0.000 0.930 410 A CB 0.327 19.203 19.000 -0.207 0.000 1.149 410 A HN 0.386 nan 8.150 nan 0.000 0.515 411 V N 3.747 123.873 119.914 0.353 0.000 2.408 411 V HA 0.137 4.257 4.120 0.000 0.000 0.267 411 V C 0.382 176.543 176.094 0.113 0.000 1.047 411 V CA -0.462 61.963 62.300 0.209 0.000 0.937 411 V CB 0.762 32.656 31.823 0.118 0.000 0.999 411 V HN 0.865 nan 8.190 nan 0.000 0.472 412 D N 2.768 123.308 120.400 0.233 0.000 2.447 412 D HA 0.135 4.775 4.640 0.000 0.000 0.265 412 D C 1.124 177.411 176.300 -0.022 0.000 1.250 412 D CA -0.322 53.834 54.000 0.260 0.000 1.046 412 D CB 2.064 43.187 40.800 0.538 0.000 1.095 412 D HN 0.264 nan 8.370 nan 0.000 0.555 413 V N 1.157 121.064 119.914 -0.011 0.000 3.026 413 V HA -0.198 3.922 4.120 0.000 0.000 0.265 413 V C 1.121 177.152 176.094 -0.105 0.000 1.121 413 V CA 2.114 64.335 62.300 -0.131 0.000 1.142 413 V CB -0.556 31.192 31.823 -0.125 0.000 0.730 413 V HN 0.483 nan 8.190 nan 0.000 0.503 414 D N -0.981 119.435 120.400 0.026 0.000 2.363 414 D HA -0.163 4.477 4.640 0.000 0.000 0.226 414 D C 1.802 177.979 176.300 -0.206 0.000 1.020 414 D CA 0.615 54.600 54.000 -0.025 0.000 0.892 414 D CB -0.325 40.502 40.800 0.046 0.000 0.900 414 D HN 0.556 nan 8.370 nan 0.000 0.531 415 M N -0.236 119.070 119.600 -0.490 0.000 2.388 415 M HA -0.009 4.471 4.480 0.000 0.000 0.265 415 M C 0.234 176.224 176.300 -0.516 0.000 1.088 415 M CA 0.384 55.050 55.300 -1.056 0.000 1.134 415 M CB 0.189 32.111 32.600 -1.130 0.000 1.384 415 M HN -0.150 nan 8.290 nan 0.000 0.447 416 Q N 1.605 121.207 119.800 -0.329 0.000 2.417 416 Q HA 0.020 4.360 4.340 0.000 0.000 0.241 416 Q C -0.489 175.413 176.000 -0.163 0.000 1.008 416 Q CA -0.234 55.428 55.803 -0.235 0.000 0.901 416 Q CB 0.304 28.887 28.738 -0.259 0.000 1.259 416 Q HN 0.129 nan 8.270 nan 0.000 0.489 417 D N 2.087 122.402 120.400 -0.142 0.000 2.367 417 D HA -0.062 4.578 4.640 0.000 0.000 0.255 417 D C -0.345 175.858 176.300 -0.161 0.000 1.300 417 D CA 0.306 54.233 54.000 -0.121 0.000 0.959 417 D CB -0.477 40.258 40.800 -0.108 0.000 1.064 417 D HN 0.513 nan 8.370 nan 0.000 0.509 418 N N 4.334 122.959 118.700 -0.125 0.000 2.714 418 N HA -0.218 4.523 4.740 0.000 0.000 0.253 418 N C 0.124 175.555 175.510 -0.132 0.000 1.024 418 N CA 0.762 53.743 53.050 -0.115 0.000 0.726 418 N CB -0.590 37.839 38.487 -0.097 0.000 0.908 418 N HN 0.733 nan 8.380 nan 0.000 0.542 419 L N -3.163 117.974 121.223 -0.143 0.000 4.496 419 L HA -0.302 4.038 4.340 0.000 0.000 0.419 419 L C 0.273 177.048 176.870 -0.159 0.000 1.139 419 L CA 1.099 55.884 54.840 -0.092 0.000 0.975 419 L CB -1.357 40.748 42.059 0.077 0.000 2.099 419 L HN 0.330 nan 8.230 nan 0.000 0.818 420 R N 0.858 121.167 120.500 -0.320 0.000 2.220 420 R HA 0.430 4.771 4.340 0.000 0.000 0.340 420 R C 0.264 176.350 176.300 -0.356 0.000 1.076 420 R CA -0.345 55.422 56.100 -0.556 0.000 0.920 420 R CB 1.614 31.312 30.300 -1.003 0.000 1.062 420 R HN 0.071 nan 8.270 nan 0.000 0.469 421 V N 5.206 124.946 119.914 -0.290 0.000 2.763 421 V HA -0.058 4.062 4.120 0.000 0.000 0.306 421 V C 0.298 176.192 176.094 -0.332 0.000 1.059 421 V CA 0.784 62.785 62.300 -0.498 0.000 1.138 421 V CB -0.402 30.972 31.823 -0.749 0.000 0.940 421 V HN 0.920 nan 8.190 nan 0.000 0.489 422 F N 1.984 121.751 119.950 -0.304 0.000 2.699 422 F HA -0.174 4.353 4.527 -0.000 0.000 0.343 422 F C 0.776 176.475 175.800 -0.168 0.000 0.633 422 F CA 1.092 58.904 58.000 -0.313 0.000 1.365 422 F CB -2.590 36.184 39.000 -0.378 0.000 1.795 422 F HN 0.852 nan 8.300 nan 0.000 0.304 423 T N -1.971 112.567 114.554 -0.026 0.000 2.938 423 T HA 0.844 5.195 4.350 0.000 0.000 0.285 423 T C 0.189 174.868 174.700 -0.036 0.000 1.028 423 T CA 0.129 62.224 62.100 -0.010 0.000 1.005 423 T CB 2.899 71.734 68.868 -0.056 0.000 1.157 423 T HN 0.439 nan 8.240 nan 0.000 0.550 424 T N -1.521 113.057 114.554 0.040 0.000 2.883 424 T HA 0.719 5.069 4.350 0.000 0.000 0.296 424 T C -0.889 173.871 174.700 0.100 0.000 1.117 424 T CA -1.185 60.953 62.100 0.063 0.000 1.006 424 T CB 1.787 70.808 68.868 0.255 0.000 1.191 424 T HN 1.048 nan 8.240 nan 0.000 0.508 425 K N -0.163 120.318 120.400 0.135 0.000 2.238 425 K HA 0.690 5.010 4.320 0.000 0.000 0.239 425 K C 1.425 178.186 176.600 0.269 0.000 0.987 425 K CA -0.899 55.479 56.287 0.151 0.000 0.857 425 K CB 1.072 33.632 32.500 0.100 0.000 1.154 425 K HN 0.668 nan 8.250 nan 0.000 0.439 426 G N 1.077 109.946 108.800 0.115 0.000 2.469 426 G HA2 -0.283 3.677 3.960 0.000 0.000 0.220 426 G HA3 -0.283 3.677 3.960 0.000 0.000 0.220 426 G C 0.897 175.873 174.900 0.127 0.000 1.136 426 G CA 0.880 46.021 45.100 0.067 0.000 0.759 426 G HN 0.789 nan 8.290 nan 0.000 0.562 427 E N -0.333 119.915 120.200 0.080 0.000 2.333 427 E HA -0.010 4.340 4.350 0.000 0.000 0.198 427 E C 1.055 177.513 176.600 -0.237 0.000 1.007 427 E CA 0.433 56.783 56.400 -0.083 0.000 0.845 427 E CB -0.213 29.395 29.700 -0.154 0.000 0.766 427 E HN 0.578 nan 8.360 nan 0.000 0.507 428 F N -1.189 118.769 119.950 0.013 0.000 2.668 428 F HA 0.237 4.765 4.527 0.001 0.000 0.297 428 F C -0.316 175.323 175.800 -0.268 0.000 1.124 428 F CA -0.383 57.525 58.000 -0.152 0.000 1.353 428 F CB 0.225 39.093 39.000 -0.220 0.000 0.992 428 F HN -0.103 nan 8.300 nan 0.000 0.524 429 W N -0.489 120.759 121.300 -0.087 0.000 2.864 429 W HA 0.307 4.968 4.660 0.000 0.000 0.343 429 W C 1.494 177.956 176.519 -0.096 0.000 1.109 429 W CA -0.832 56.462 57.345 -0.084 0.000 1.192 429 W CB 1.058 30.483 29.460 -0.057 0.000 1.426 429 W HN -0.149 nan 8.180 nan 0.000 0.529 430 T N -1.797 112.855 114.554 0.164 0.000 2.821 430 T HA -0.109 4.241 4.350 0.000 0.000 0.267 430 T C 1.410 176.224 174.700 0.189 0.000 1.046 430 T CA 1.446 63.621 62.100 0.125 0.000 1.139 430 T CB -0.268 68.688 68.868 0.147 0.000 0.871 430 T HN 0.453 nan 8.240 nan 0.000 0.454 431 A N 1.109 124.014 122.820 0.142 0.000 2.337 431 A HA 0.396 4.716 4.320 0.000 0.000 0.227 431 A C 1.057 178.525 177.584 -0.193 0.000 1.259 431 A CA 0.294 52.351 52.037 0.032 0.000 0.870 431 A CB -0.960 18.064 19.000 0.039 0.000 0.927 431 A HN 0.553 nan 8.150 nan 0.000 0.497 432 N N -0.396 118.149 118.700 -0.259 0.000 2.735 432 N HA -0.198 4.542 4.740 0.000 0.000 0.248 432 N C -0.147 175.232 175.510 -0.218 0.000 1.083 432 N CA 1.478 54.297 53.050 -0.385 0.000 0.703 432 N CB -1.248 36.680 38.487 -0.932 0.000 1.005 432 N HN 0.898 nan 8.380 nan 0.000 0.550 433 R N -2.671 117.725 120.500 -0.173 0.000 2.663 433 R HA 0.578 4.918 4.340 0.000 0.000 0.267 433 R C -1.202 174.727 176.300 -0.617 0.000 1.038 433 R CA -1.002 54.932 56.100 -0.278 0.000 0.886 433 R CB 0.746 30.905 30.300 -0.234 0.000 1.249 433 R HN -0.118 nan 8.270 nan 0.000 0.463 434 V N 2.327 121.815 119.914 -0.710 0.000 2.479 434 V HA 0.369 4.489 4.120 0.000 0.000 0.281 434 V C 0.913 176.308 176.094 -1.165 0.000 1.031 434 V CA 0.738 62.301 62.300 -1.229 0.000 1.038 434 V CB 0.721 32.225 31.823 -0.532 0.000 0.981 434 V HN 0.887 nan 8.190 nan 0.000 0.478 435 G N 3.034 110.665 108.800 -1.949 0.000 2.642 435 G HA2 0.509 4.470 3.960 0.000 0.000 0.291 435 G HA3 0.509 4.470 3.960 0.000 0.000 0.291 435 G C 0.689 175.348 174.900 -0.403 0.000 1.345 435 G CA 0.283 44.842 45.100 -0.902 0.000 1.043 435 G HN 0.707 nan 8.290 nan 0.000 0.528 436 T N -3.403 111.109 114.554 -0.070 0.000 3.054 436 T HA 0.506 4.857 4.350 0.000 0.000 0.255 436 T C 0.969 175.791 174.700 0.202 0.000 1.035 436 T CA 0.739 62.883 62.100 0.074 0.000 0.941 436 T CB -0.055 68.829 68.868 0.026 0.000 1.026 436 T HN 2.232 nan 8.240 nan 0.000 0.533 437 G N -0.370 108.619 108.800 0.316 0.000 2.650 437 G HA2 0.412 4.372 3.960 0.000 0.000 0.686 437 G HA3 0.412 4.372 3.960 0.000 0.000 0.686 437 G C 0.541 175.565 174.900 0.206 0.000 1.205 437 G CA -0.183 45.102 45.100 0.309 0.000 0.781 437 G HN 1.488 nan 8.290 nan 0.000 0.648 438 G N -0.249 108.665 108.800 0.190 0.000 2.179 438 G HA2 -0.069 3.891 3.960 0.000 0.000 0.260 438 G HA3 -0.069 3.891 3.960 0.000 0.000 0.260 438 G C 0.264 175.242 174.900 0.129 0.000 0.977 438 G CA 1.287 46.470 45.100 0.139 0.000 0.641 438 G HN 1.811 nan 8.290 nan 0.000 0.533 439 D N 0.871 121.368 120.400 0.161 0.000 2.380 439 D HA 0.445 5.086 4.640 0.000 0.000 0.230 439 D C -0.174 176.210 176.300 0.141 0.000 1.154 439 D CA -2.052 52.029 54.000 0.135 0.000 0.859 439 D CB 1.368 42.250 40.800 0.136 0.000 1.045 439 D HN 0.149 nan 8.370 nan 0.000 0.495 440 P HA -0.090 nan 4.420 nan 0.000 0.222 440 P C 0.453 177.820 177.300 0.112 0.000 1.147 440 P CA 0.661 63.823 63.100 0.105 0.000 0.790 440 P CB 0.478 32.225 31.700 0.077 0.000 0.780 441 N N -0.593 118.170 118.700 0.105 0.000 2.336 441 N HA 0.004 4.744 4.740 0.000 0.000 0.189 441 N C 0.080 175.666 175.510 0.126 0.000 1.113 441 N CA 0.383 53.494 53.050 0.101 0.000 0.858 441 N CB -0.198 38.332 38.487 0.071 0.000 0.970 441 N HN 0.152 nan 8.380 nan 0.000 0.471 442 N N 0.654 119.457 118.700 0.171 0.000 2.732 442 N HA 0.142 4.882 4.740 0.000 0.000 0.247 442 N C -1.413 174.339 175.510 0.403 0.000 1.305 442 N CA -0.267 52.931 53.050 0.247 0.000 0.762 442 N CB 0.583 39.173 38.487 0.170 0.000 1.361 442 N HN -0.149 nan 8.380 nan 0.000 0.545 443 R N 0.823 121.513 120.500 0.317 0.000 2.349 443 R HA 0.410 4.751 4.340 0.000 0.000 0.299 443 R C 0.496 176.782 176.300 -0.023 0.000 1.027 443 R CA -0.530 55.698 56.100 0.213 0.000 0.958 443 R CB 0.967 31.393 30.300 0.211 0.000 1.047 443 R HN 0.638 nan 8.270 nan 0.000 0.468 444 S N 1.282 116.632 115.700 -0.583 0.000 2.608 444 S HA -0.027 4.443 4.470 0.000 0.000 0.261 444 S C 1.407 175.597 174.600 -0.684 0.000 1.314 444 S CA -0.643 56.700 58.200 -1.430 0.000 0.992 444 S CB 1.364 63.586 63.200 -1.629 0.000 0.935 444 S HN 0.475 nan 8.310 nan 0.000 0.564 445 V N 1.442 120.873 119.914 -0.805 0.000 2.317 445 V HA -0.191 3.930 4.120 0.000 0.000 0.251 445 V C 1.765 177.641 176.094 -0.362 0.000 1.065 445 V CA 2.275 64.245 62.300 -0.550 0.000 1.049 445 V CB -1.174 30.278 31.823 -0.619 0.000 0.651 445 V HN 0.830 nan 8.190 nan 0.000 0.450 446 F N 0.629 120.477 119.950 -0.171 0.000 2.259 446 F HA 0.054 4.582 4.527 0.001 0.000 0.298 446 F C 2.416 178.021 175.800 -0.326 0.000 1.088 446 F CA 1.461 59.332 58.000 -0.215 0.000 1.358 446 F CB -0.824 38.033 39.000 -0.237 0.000 1.040 446 F HN 0.244 nan 8.300 nan 0.000 0.505 447 E N -0.962 119.208 120.200 -0.050 0.000 2.072 447 E HA -0.220 4.130 4.350 0.000 0.000 0.190 447 E C 1.923 178.596 176.600 0.121 0.000 0.982 447 E CA 1.116 57.530 56.400 0.024 0.000 0.803 447 E CB -0.476 29.266 29.700 0.071 0.000 0.755 447 E HN 0.522 nan 8.360 nan 0.000 0.453 448 W N 1.673 122.934 121.300 -0.066 0.000 2.358 448 W HA -0.208 4.451 4.660 -0.001 0.000 0.303 448 W C 2.292 178.826 176.519 0.025 0.000 1.208 448 W CA 2.058 59.393 57.345 -0.017 0.000 1.274 448 W CB -0.141 29.286 29.460 -0.055 0.000 1.138 448 W HN 0.029 nan 8.180 nan 0.000 0.515 449 A N -0.683 122.301 122.820 0.274 0.000 1.930 449 A HA -0.239 4.081 4.320 0.000 0.000 0.217 449 A C 1.765 179.399 177.584 0.084 0.000 1.175 449 A CA 1.866 53.991 52.037 0.146 0.000 0.627 449 A CB -1.291 17.870 19.000 0.268 0.000 0.815 449 A HN 0.449 nan 8.150 nan 0.000 0.443 450 H N 0.569 119.682 119.070 0.071 0.000 2.353 450 H HA -0.123 4.433 4.556 0.000 0.000 0.298 450 H C 1.386 176.693 175.328 -0.036 0.000 1.103 450 H CA 1.711 57.782 56.048 0.039 0.000 1.293 450 H CB -0.352 29.448 29.762 0.063 0.000 1.372 450 H HN 0.438 nan 8.280 nan 0.000 0.501 451 D N 0.321 120.739 120.400 0.030 0.000 2.310 451 D HA -0.076 4.564 4.640 0.000 0.000 0.212 451 D C 1.547 177.740 176.300 -0.180 0.000 0.965 451 D CA 0.588 54.535 54.000 -0.088 0.000 0.879 451 D CB 0.122 40.836 40.800 -0.143 0.000 0.921 451 D HN 0.252 nan 8.370 nan 0.000 0.510 452 K N -0.271 119.977 120.400 -0.253 0.000 2.444 452 K HA 0.153 4.473 4.320 0.000 0.000 0.193 452 K C 1.087 177.657 176.600 -0.049 0.000 1.024 452 K CA 0.326 56.481 56.287 -0.221 0.000 1.077 452 K CB 0.828 33.117 32.500 -0.352 0.000 0.833 452 K HN 0.132 nan 8.250 nan 0.000 0.517 453 G N 1.640 110.439 108.800 -0.001 0.000 2.136 453 G HA2 -0.248 3.712 3.960 0.000 0.000 0.242 453 G HA3 -0.248 3.712 3.960 0.000 0.000 0.242 453 G C 0.077 175.023 174.900 0.076 0.000 0.989 453 G CA 0.097 45.228 45.100 0.053 0.000 0.682 453 G HN 0.203 nan 8.290 nan 0.000 0.522 454 L N -0.351 120.922 121.223 0.084 0.000 2.358 454 L HA 0.857 5.197 4.340 0.000 0.000 0.268 454 L C 0.897 177.857 176.870 0.151 0.000 1.032 454 L CA -1.293 53.579 54.840 0.054 0.000 0.805 454 L CB 1.659 43.750 42.059 0.054 0.000 1.253 454 L HN 0.235 nan 8.230 nan 0.000 0.452 455 V N -2.423 117.528 119.914 0.062 0.000 3.001 455 V HA 0.732 4.852 4.120 0.000 0.000 0.314 455 V C -0.709 175.542 176.094 0.260 0.000 1.099 455 V CA -0.799 61.578 62.300 0.127 0.000 0.989 455 V CB 1.741 33.417 31.823 -0.245 0.000 1.040 455 V HN 0.871 nan 8.190 nan 0.000 0.434 456 C N 2.495 121.964 119.300 0.282 0.000 2.797 456 C HA 0.779 5.239 4.460 0.000 0.000 0.306 456 C C -0.248 174.725 174.990 -0.027 0.000 1.207 456 C CA -0.642 58.533 59.018 0.262 0.000 1.507 456 C CB 1.605 29.553 27.740 0.346 0.000 2.028 456 C HN 1.119 nan 8.230 nan 0.000 0.475 457 Q N 0.606 120.201 119.800 -0.343 0.000 2.241 457 Q HA 0.847 5.187 4.340 0.000 0.000 0.262 457 Q C -0.725 175.099 176.000 -0.293 0.000 1.014 457 Q CA -0.317 55.046 55.803 -0.733 0.000 0.885 457 Q CB 1.838 29.811 28.738 -1.276 0.000 1.311 457 Q HN 0.639 nan 8.270 nan 0.000 0.461 458 T N 0.391 114.637 114.554 -0.514 0.000 2.896 458 T HA 0.259 4.609 4.350 0.000 0.000 0.297 458 T C -1.085 172.743 174.700 -1.453 0.000 1.108 458 T CA -0.815 60.857 62.100 -0.714 0.000 1.004 458 T CB 1.400 70.038 68.868 -0.384 0.000 1.159 458 T HN 0.664 nan 8.240 nan 0.000 0.499 459 N N 3.523 121.126 118.700 -1.829 0.000 2.416 459 N HA 0.127 4.867 4.740 0.000 0.000 0.265 459 N C -0.615 174.295 175.510 -1.000 0.000 1.195 459 N CA -0.087 51.850 53.050 -1.854 0.000 0.943 459 N CB -0.056 37.797 38.487 -1.057 0.000 1.115 459 N HN 0.445 nan 8.380 nan 0.000 0.481 460 I N 3.602 123.671 120.570 -0.835 0.000 2.306 460 I HA 0.124 4.294 4.170 0.000 0.000 0.288 460 I C 1.062 176.982 176.117 -0.330 0.000 1.036 460 I CA -0.557 60.379 61.300 -0.605 0.000 1.221 460 I CB -0.011 37.721 38.000 -0.447 0.000 1.385 460 I HN 0.360 nan 8.210 nan 0.000 0.472 461 T N 1.679 116.008 114.554 -0.375 0.000 2.816 461 T HA 0.237 4.588 4.350 0.000 0.000 0.282 461 T C 0.882 175.551 174.700 -0.052 0.000 0.993 461 T CA -0.634 61.332 62.100 -0.223 0.000 0.994 461 T CB 1.359 69.872 68.868 -0.593 0.000 1.025 461 T HN 0.766 nan 8.240 nan 0.000 0.529 462 C N -0.115 119.256 119.300 0.118 0.000 2.863 462 C HA 0.636 5.096 4.460 0.000 0.000 0.284 462 C C 0.104 175.286 174.990 0.320 0.000 1.426 462 C CA -1.423 57.770 59.018 0.291 0.000 1.782 462 C CB -2.361 25.610 27.740 0.384 0.000 2.554 462 C HN 0.743 nan 8.230 nan 0.000 0.566 463 F N -0.285 119.745 119.950 0.134 0.000 2.508 463 F HA 0.873 5.400 4.527 0.000 0.000 0.325 463 F C -1.023 174.736 175.800 -0.068 0.000 1.090 463 F CA -1.703 56.185 58.000 -0.187 0.000 0.945 463 F CB 0.820 39.642 39.000 -0.296 0.000 1.156 463 F HN -0.144 nan 8.300 nan 0.000 0.463 464 L N 4.229 125.494 121.223 0.071 0.000 2.318 464 L HA 0.476 4.816 4.340 0.000 0.000 0.277 464 L C 0.186 177.207 176.870 0.252 0.000 1.008 464 L CA -0.789 54.177 54.840 0.209 0.000 0.846 464 L CB 1.484 43.664 42.059 0.202 0.000 1.220 464 L HN 0.757 nan 8.230 nan 0.000 0.423 465 R N 1.676 122.405 120.500 0.383 0.000 2.523 465 R HA -0.123 4.217 4.340 0.000 0.000 0.281 465 R C 0.641 177.068 176.300 0.213 0.000 0.969 465 R CA 0.559 56.804 56.100 0.243 0.000 1.093 465 R CB 0.320 30.679 30.300 0.098 0.000 0.917 465 R HN 0.647 nan 8.270 nan 0.000 0.408 466 N N 1.437 120.190 118.700 0.088 0.000 2.407 466 N HA -0.047 4.693 4.740 0.000 0.000 0.182 466 N C -1.036 174.500 175.510 0.043 0.000 1.079 466 N CA 0.315 53.395 53.050 0.051 0.000 0.882 466 N CB 0.501 38.984 38.487 -0.005 0.000 1.106 466 N HN 0.688 nan 8.380 nan 0.000 0.461 467 D N -0.166 120.256 120.400 0.036 0.000 2.479 467 D HA 0.138 4.778 4.640 0.000 0.000 0.218 467 D C -0.393 175.926 176.300 0.030 0.000 1.131 467 D CA -0.267 53.751 54.000 0.030 0.000 0.916 467 D CB 0.256 41.074 40.800 0.030 0.000 1.022 467 D HN 0.046 nan 8.370 nan 0.000 0.515 468 N N 1.577 120.301 118.700 0.039 0.000 2.236 468 N HA -0.043 4.698 4.740 0.000 0.000 0.196 468 N C -0.405 175.118 175.510 0.020 0.000 1.114 468 N CA -0.083 52.991 53.050 0.039 0.000 0.859 468 N CB 0.328 38.869 38.487 0.090 0.000 0.982 468 N HN 0.510 nan 8.380 nan 0.000 0.493 469 E N -0.047 120.163 120.200 0.017 0.000 2.230 469 E HA -0.221 4.130 4.350 0.000 0.000 0.206 469 E C 0.793 177.398 176.600 0.009 0.000 1.309 469 E CA 0.367 56.772 56.400 0.010 0.000 0.697 469 E CB -1.677 28.025 29.700 0.003 0.000 1.146 469 E HN 0.490 nan 8.360 nan 0.000 0.363 470 G N 0.196 109.003 108.800 0.013 0.000 2.196 470 G HA2 -0.446 3.515 3.960 0.000 0.000 0.268 470 G HA3 -0.446 3.515 3.960 0.000 0.000 0.268 470 G C 0.188 175.096 174.900 0.014 0.000 0.975 470 G CA 0.824 45.931 45.100 0.011 0.000 0.648 470 G HN 0.496 nan 8.290 nan 0.000 0.538 471 Q N 0.720 120.531 119.800 0.019 0.000 2.290 471 Q HA 0.404 4.744 4.340 0.000 0.000 0.259 471 Q C -0.978 175.053 176.000 0.053 0.000 0.941 471 Q CA -0.835 54.981 55.803 0.023 0.000 0.912 471 Q CB 0.670 29.412 28.738 0.007 0.000 1.244 471 Q HN 0.204 nan 8.270 nan 0.000 0.441 472 D N 3.029 123.461 120.400 0.054 0.000 2.450 472 D HA -0.018 4.622 4.640 0.000 0.000 0.247 472 D C -1.162 175.235 176.300 0.163 0.000 1.162 472 D CA 0.707 54.756 54.000 0.082 0.000 0.879 472 D CB 0.295 41.126 40.800 0.051 0.000 1.163 472 D HN 0.380 nan 8.370 nan 0.000 0.472 473 Y N 3.231 123.536 120.300 0.009 0.000 2.594 473 Y HA 0.105 4.655 4.550 0.000 0.000 0.338 473 Y C 0.983 176.904 175.900 0.036 0.000 1.019 473 Y CA -0.983 57.127 58.100 0.017 0.000 1.306 473 Y CB 0.592 39.063 38.460 0.018 0.000 1.094 473 Y HN 0.369 nan 8.280 nan 0.000 0.534 474 E N 2.674 122.861 120.200 -0.020 0.000 2.171 474 E HA -0.127 4.223 4.350 0.000 0.000 0.197 474 E C 1.072 177.550 176.600 -0.203 0.000 0.997 474 E CA 1.671 58.018 56.400 -0.089 0.000 0.810 474 E CB 0.332 30.017 29.700 -0.025 0.000 0.738 474 E HN 0.592 nan 8.360 nan 0.000 0.467 475 V N 2.349 121.984 119.914 -0.465 0.000 2.295 475 V HA -0.253 3.867 4.120 0.000 0.000 0.246 475 V C 2.653 178.630 176.094 -0.195 0.000 1.049 475 V CA 2.010 64.121 62.300 -0.316 0.000 1.024 475 V CB -0.874 30.750 31.823 -0.332 0.000 0.648 475 V HN 0.387 nan 8.190 nan 0.000 0.447 476 N N 0.237 118.566 118.700 -0.618 0.000 2.120 476 N HA -0.253 4.488 4.740 0.000 0.000 0.188 476 N C 2.022 177.467 175.510 -0.108 0.000 1.024 476 N CA 2.043 54.954 53.050 -0.232 0.000 0.852 476 N CB 0.008 38.410 38.487 -0.142 0.000 1.003 476 N HN 0.546 nan 8.380 nan 0.000 0.424 477 Q N 0.641 120.370 119.800 -0.118 0.000 2.079 477 Q HA -0.078 4.262 4.340 0.000 0.000 0.200 477 Q C 1.970 177.956 176.000 -0.023 0.000 0.974 477 Q CA 2.546 58.319 55.803 -0.049 0.000 0.840 477 Q CB -0.783 27.936 28.738 -0.031 0.000 0.898 477 Q HN 0.538 nan 8.270 nan 0.000 0.430 478 T N -1.383 113.181 114.554 0.016 0.000 2.904 478 T HA -0.096 4.254 4.350 0.000 0.000 0.267 478 T C 1.724 176.365 174.700 -0.099 0.000 1.059 478 T CA 0.915 63.043 62.100 0.047 0.000 1.137 478 T CB -0.429 68.562 68.868 0.205 0.000 0.879 478 T HN 0.257 nan 8.240 nan 0.000 0.467 479 L N 1.183 122.325 121.223 -0.134 0.000 2.012 479 L HA 0.010 4.350 4.340 0.000 0.000 0.210 479 L C 2.776 179.559 176.870 -0.144 0.000 1.073 479 L CA 1.655 56.233 54.840 -0.437 0.000 0.748 479 L CB -0.505 41.397 42.059 -0.263 0.000 0.891 479 L HN 0.132 nan 8.230 nan 0.000 0.431 480 R N -0.226 120.261 120.500 -0.022 0.000 2.070 480 R HA -0.176 4.164 4.340 0.000 0.000 0.232 480 R C 2.162 178.522 176.300 0.101 0.000 1.138 480 R CA 1.921 58.071 56.100 0.082 0.000 0.936 480 R CB -0.556 29.725 30.300 -0.031 0.000 0.839 480 R HN 0.666 nan 8.270 nan 0.000 0.429 481 E N 0.454 120.659 120.200 0.008 0.000 2.204 481 E HA -0.141 4.209 4.350 0.000 0.000 0.194 481 E C 1.579 178.157 176.600 -0.037 0.000 0.989 481 E CA 0.695 57.095 56.400 -0.001 0.000 0.824 481 E CB -0.086 29.610 29.700 -0.006 0.000 0.756 481 E HN 0.216 nan 8.360 nan 0.000 0.477 482 R N 0.710 121.152 120.500 -0.097 0.000 2.313 482 R HA 0.043 4.383 4.340 0.000 0.000 0.199 482 R C 0.184 176.364 176.300 -0.200 0.000 0.958 482 R CA 0.231 56.241 56.100 -0.149 0.000 1.047 482 R CB -0.112 30.056 30.300 -0.220 0.000 0.955 482 R HN 0.322 nan 8.270 nan 0.000 0.481 483 Q N 0.490 120.178 119.800 -0.188 0.000 2.452 483 Q HA -0.169 4.172 4.340 0.000 0.000 0.318 483 Q C 0.180 175.847 176.000 -0.555 0.000 1.386 483 Q CA 0.363 55.923 55.803 -0.405 0.000 0.872 483 Q CB -1.751 26.795 28.738 -0.320 0.000 1.151 483 Q HN 0.376 nan 8.270 nan 0.000 0.417 484 L N -0.607 120.316 121.223 -0.499 0.000 2.640 484 L HA 0.142 4.482 4.340 0.000 0.000 0.230 484 L C 0.731 177.351 176.870 -0.418 0.000 1.123 484 L CA -0.318 54.232 54.840 -0.484 0.000 0.900 484 L CB -0.138 41.544 42.059 -0.629 0.000 1.146 484 L HN 0.322 nan 8.230 nan 0.000 0.484 485 Y N -1.605 118.549 120.300 -0.243 0.000 2.304 485 Y HA 0.402 4.952 4.550 0.000 0.000 0.327 485 Y C 0.733 176.602 175.900 -0.052 0.000 1.209 485 Y CA -1.296 56.722 58.100 -0.135 0.000 1.299 485 Y CB -0.325 38.095 38.460 -0.066 0.000 1.249 485 Y HN -0.204 nan 8.280 nan 0.000 0.519 486 T N 5.073 119.740 114.554 0.188 0.000 2.928 486 T HA 0.072 4.423 4.350 0.000 0.000 0.305 486 T C 0.249 175.127 174.700 0.296 0.000 1.035 486 T CA -0.595 61.590 62.100 0.143 0.000 1.145 486 T CB 0.125 69.084 68.868 0.153 0.000 0.963 486 T HN 0.452 nan 8.240 nan 0.000 0.545 487 K N 2.814 123.315 120.400 0.167 0.000 2.118 487 K HA 0.149 4.470 4.320 0.000 0.000 0.240 487 K C 1.051 177.844 176.600 0.322 0.000 1.035 487 K CA -0.592 55.844 56.287 0.248 0.000 0.899 487 K CB 0.281 32.857 32.500 0.127 0.000 1.085 487 K HN 0.634 nan 8.250 nan 0.000 0.498 488 N N 0.521 119.432 118.700 0.350 0.000 2.320 488 N HA 0.012 4.752 4.740 0.000 0.000 0.237 488 N C -0.779 175.039 175.510 0.514 0.000 1.129 488 N CA -0.139 53.221 53.050 0.518 0.000 0.854 488 N CB 0.038 38.759 38.487 0.390 0.000 1.083 488 N HN 0.250 nan 8.380 nan 0.000 0.504 489 D N 0.339 120.949 120.400 0.350 0.000 2.312 489 D HA 0.375 5.016 4.640 0.000 0.000 0.248 489 D C 0.266 176.742 176.300 0.294 0.000 1.086 489 D CA 0.034 54.175 54.000 0.234 0.000 0.948 489 D CB 1.687 42.559 40.800 0.119 0.000 1.162 489 D HN 0.422 nan 8.370 nan 0.000 0.446 490 S N -0.655 115.140 115.700 0.158 0.000 2.656 490 S HA 0.379 4.849 4.470 0.000 0.000 0.273 490 S C 0.225 174.861 174.600 0.061 0.000 1.168 490 S CA -0.797 57.479 58.200 0.128 0.000 0.817 490 S CB 0.703 63.976 63.200 0.123 0.000 1.146 490 S HN 0.299 nan 8.310 nan 0.000 0.475 491 L N 0.666 121.930 121.223 0.068 0.000 2.513 491 L HA 0.170 4.511 4.340 0.000 0.000 0.222 491 L C 2.034 178.954 176.870 0.083 0.000 1.096 491 L CA 0.956 55.853 54.840 0.095 0.000 0.857 491 L CB -0.257 41.905 42.059 0.172 0.000 1.026 491 L HN 0.997 nan 8.230 nan 0.000 0.469 492 T N -3.771 110.809 114.554 0.043 0.000 3.086 492 T HA 0.217 4.567 4.350 0.000 0.000 0.250 492 T C 1.384 176.063 174.700 -0.035 0.000 1.074 492 T CA 0.315 62.428 62.100 0.022 0.000 0.988 492 T CB 0.361 69.217 68.868 -0.021 0.000 0.988 492 T HN 0.327 nan 8.240 nan 0.000 0.530 493 G N 1.996 110.760 108.800 -0.059 0.000 2.305 493 G HA2 -0.252 3.708 3.960 0.000 0.000 0.287 493 G HA3 -0.252 3.708 3.960 0.000 0.000 0.287 493 G C 0.049 174.830 174.900 -0.199 0.000 1.036 493 G CA 0.290 45.328 45.100 -0.104 0.000 0.887 493 G HN 0.642 nan 8.290 nan 0.000 0.505 494 T N 0.387 114.748 114.554 -0.321 0.000 2.884 494 T HA 0.379 4.729 4.350 0.000 0.000 0.298 494 T C 0.168 174.387 174.700 -0.801 0.000 0.998 494 T CA 0.219 62.020 62.100 -0.499 0.000 1.124 494 T CB 1.564 70.139 68.868 -0.489 0.000 0.931 494 T HN 0.313 nan 8.240 nan 0.000 0.531 495 D N 1.964 122.037 120.400 -0.544 0.000 2.428 495 D HA 0.203 4.843 4.640 0.000 0.000 0.221 495 D C 0.109 176.176 176.300 -0.388 0.000 1.123 495 D CA -0.914 52.825 54.000 -0.435 0.000 0.869 495 D CB 0.065 40.736 40.800 -0.214 0.000 1.032 495 D HN 0.336 nan 8.370 nan 0.000 0.506 496 F N 2.366 122.247 119.950 -0.116 0.000 2.661 496 F HA 0.305 4.832 4.527 0.000 0.000 0.298 496 F C 1.804 177.507 175.800 -0.162 0.000 1.137 496 F CA 0.633 58.524 58.000 -0.181 0.000 1.454 496 F CB -0.408 38.454 39.000 -0.230 0.000 1.103 496 F HN 0.533 nan 8.300 nan 0.000 0.577 497 G N 0.416 109.217 108.800 0.002 0.000 2.497 497 G HA2 0.251 4.211 3.960 0.000 0.000 0.686 497 G HA3 0.251 4.211 3.960 0.000 0.000 0.686 497 G C -1.530 173.345 174.900 -0.042 0.000 1.288 497 G CA -0.655 44.431 45.100 -0.022 0.000 0.899 497 G HN 0.110 nan 8.290 nan 0.000 0.608 498 M N 0.213 119.791 119.600 -0.037 0.000 2.534 498 M HA 0.807 5.288 4.480 0.000 0.000 0.280 498 M C 0.011 176.296 176.300 -0.025 0.000 1.217 498 M CA 0.206 55.488 55.300 -0.030 0.000 0.893 498 M CB 1.813 34.400 32.600 -0.021 0.000 1.730 498 M HN 2.048 nan 8.290 nan 0.000 0.483 499 T N -1.712 112.829 114.554 -0.022 0.000 2.831 499 T HA 0.561 4.911 4.350 0.000 0.000 0.287 499 T C 0.037 174.728 174.700 -0.014 0.000 1.070 499 T CA -0.561 61.531 62.100 -0.014 0.000 1.010 499 T CB 1.055 69.920 68.868 -0.005 0.000 1.264 499 T HN 0.601 nan 8.240 nan 0.000 0.532 500 D N 0.415 120.810 120.400 -0.009 0.000 2.178 500 D HA -0.075 4.566 4.640 0.000 0.000 0.201 500 D C 1.387 177.680 176.300 -0.012 0.000 0.980 500 D CA 1.023 55.018 54.000 -0.009 0.000 0.842 500 D CB -0.096 40.702 40.800 -0.004 0.000 0.948 500 D HN 0.564 nan 8.370 nan 0.000 0.472 501 D N 0.409 120.800 120.400 -0.013 0.000 2.219 501 D HA -0.007 4.633 4.640 0.000 0.000 0.205 501 D C 1.598 177.875 176.300 -0.038 0.000 0.970 501 D CA 1.114 55.102 54.000 -0.020 0.000 0.851 501 D CB 0.153 40.944 40.800 -0.015 0.000 0.943 501 D HN 0.238 nan 8.370 nan 0.000 0.488 502 G N 1.166 109.940 108.800 -0.043 0.000 2.601 502 G HA2 -0.257 3.703 3.960 0.000 0.000 0.252 502 G HA3 -0.257 3.703 3.960 0.000 0.000 0.252 502 G C -2.478 172.347 174.900 -0.125 0.000 1.294 502 G CA -0.594 44.467 45.100 -0.065 0.000 0.912 502 G HN 0.114 nan 8.290 nan 0.000 0.574 503 P HA 0.255 nan 4.420 nan 0.000 0.272 503 P C 1.217 178.482 177.300 -0.059 0.000 1.230 503 P CA 0.695 63.715 63.100 -0.133 0.000 0.788 503 P CB 0.807 32.382 31.700 -0.208 0.000 0.949 504 S N 0.195 115.890 115.700 -0.008 0.000 2.419 504 S HA -0.181 4.289 4.470 0.000 0.000 0.233 504 S C 1.024 175.653 174.600 0.047 0.000 1.016 504 S CA 1.496 59.704 58.200 0.014 0.000 0.974 504 S CB -0.918 62.292 63.200 0.017 0.000 0.786 504 S HN 0.610 nan 8.310 nan 0.000 0.492 505 D N 1.325 121.780 120.400 0.091 0.000 2.427 505 D HA 0.470 5.111 4.640 0.000 0.000 0.224 505 D C 0.125 176.576 176.300 0.252 0.000 1.157 505 D CA -0.167 53.925 54.000 0.154 0.000 0.828 505 D CB -0.005 40.889 40.800 0.158 0.000 0.974 505 D HN 0.480 nan 8.370 nan 0.000 0.498 506 A N 0.232 123.155 122.820 0.171 0.000 2.324 506 A HA 0.473 4.793 4.320 0.000 0.000 0.330 506 A C -1.168 176.551 177.584 0.225 0.000 1.165 506 A CA -0.880 51.276 52.037 0.199 0.000 0.813 506 A CB 0.787 19.646 19.000 -0.234 0.000 1.197 506 A HN 0.271 nan 8.150 nan 0.000 0.484 507 Y N 2.214 122.652 120.300 0.231 0.000 2.496 507 Y HA 0.470 5.020 4.550 0.000 0.000 0.334 507 Y C -0.355 175.677 175.900 0.220 0.000 1.080 507 Y CA 0.334 58.567 58.100 0.222 0.000 1.355 507 Y CB 0.227 38.818 38.460 0.219 0.000 1.193 507 Y HN 0.471 nan 8.280 nan 0.000 0.523 508 I N 6.886 127.390 120.570 -0.110 0.000 2.410 508 I HA 0.431 4.602 4.170 0.000 0.000 0.286 508 I C 0.464 176.566 176.117 -0.026 0.000 1.009 508 I CA -0.533 60.790 61.300 0.040 0.000 1.111 508 I CB 1.406 39.392 38.000 -0.023 0.000 1.262 508 I HN 0.756 nan 8.210 nan 0.000 0.443 509 G N 3.441 112.446 108.800 0.342 0.000 2.705 509 G HA2 0.548 4.508 3.960 0.000 0.000 0.299 509 G HA3 0.548 4.508 3.960 0.000 0.000 0.299 509 G C -1.687 173.324 174.900 0.185 0.000 1.315 509 G CA -0.311 44.959 45.100 0.283 0.000 1.045 509 G HN 0.608 nan 8.290 nan 0.000 0.517 510 H N -1.700 117.366 119.070 -0.006 0.000 2.768 510 H HA 0.672 5.228 4.556 0.000 0.000 0.371 510 H C -1.124 174.128 175.328 -0.127 0.000 1.151 510 H CA -0.531 55.474 56.048 -0.072 0.000 1.165 510 H CB 1.824 31.538 29.762 -0.080 0.000 1.722 510 H HN 0.304 nan 8.280 nan 0.000 0.543 511 L N 3.036 123.983 121.223 -0.459 0.000 2.365 511 L HA 0.337 4.677 4.340 0.000 0.000 0.273 511 L C -1.005 175.742 176.870 -0.204 0.000 1.000 511 L CA -0.512 54.100 54.840 -0.380 0.000 0.819 511 L CB 1.886 43.520 42.059 -0.709 0.000 1.284 511 L HN 0.640 nan 8.230 nan 0.000 0.418 512 D N 0.986 121.323 120.400 -0.105 0.000 2.358 512 D HA 0.216 4.857 4.640 0.000 0.000 0.253 512 D C -0.315 175.991 176.300 0.010 0.000 1.288 512 D CA -0.306 53.729 54.000 0.059 0.000 0.950 512 D CB 0.607 41.494 40.800 0.146 0.000 1.197 512 D HN 0.339 nan 8.370 nan 0.000 0.550 513 Y N 2.309 122.668 120.300 0.098 0.000 2.477 513 Y HA 0.332 4.882 4.550 0.001 0.000 0.303 513 Y C 1.766 177.769 175.900 0.171 0.000 1.202 513 Y CA 0.564 58.767 58.100 0.172 0.000 1.282 513 Y CB 0.087 38.695 38.460 0.246 0.000 1.071 513 Y HN 0.601 nan 8.280 nan 0.000 0.510 514 G N -0.447 108.491 108.800 0.229 0.000 2.829 514 G HA2 0.032 3.993 3.960 0.000 0.000 0.628 514 G HA3 0.032 3.993 3.960 0.000 0.000 0.628 514 G C 0.616 175.610 174.900 0.158 0.000 1.412 514 G CA -0.391 44.809 45.100 0.168 0.000 0.864 514 G HN 0.995 nan 8.290 nan 0.000 0.544 515 G N -1.085 107.781 108.800 0.110 0.000 2.321 515 G HA2 0.318 4.278 3.960 0.000 0.000 0.287 515 G HA3 0.318 4.278 3.960 0.000 0.000 0.287 515 G C 2.110 177.045 174.900 0.060 0.000 1.018 515 G CA 1.120 46.262 45.100 0.071 0.000 0.855 515 G HN 3.125 nan 8.290 nan 0.000 0.507 516 G N -3.151 105.695 108.800 0.077 0.000 2.179 516 G HA2 -0.094 3.866 3.960 0.000 0.000 0.260 516 G HA3 -0.094 3.866 3.960 0.000 0.000 0.260 516 G C 0.441 175.388 174.900 0.079 0.000 0.977 516 G CA 0.502 45.644 45.100 0.069 0.000 0.641 516 G HN 1.667 nan 8.290 nan 0.000 0.533 517 V N 2.330 122.306 119.914 0.103 0.000 2.356 517 V HA 0.581 4.701 4.120 0.000 0.000 0.258 517 V C 0.351 176.554 176.094 0.181 0.000 1.065 517 V CA 0.738 63.104 62.300 0.110 0.000 0.935 517 V CB 0.404 32.289 31.823 0.103 0.000 1.061 517 V HN 0.730 nan 8.190 nan 0.000 0.484 518 E N 4.122 124.393 120.200 0.119 0.000 2.409 518 E HA 0.738 5.088 4.350 0.000 0.000 0.280 518 E C -1.250 175.308 176.600 -0.069 0.000 1.079 518 E CA -1.013 55.431 56.400 0.074 0.000 0.840 518 E CB 2.055 31.863 29.700 0.181 0.000 1.309 518 E HN 0.658 nan 8.360 nan 0.000 0.447 519 C N -0.203 118.884 119.300 -0.355 0.000 3.307 519 C HA 0.595 5.055 4.460 0.000 0.000 0.333 519 C C -1.102 173.510 174.990 -0.630 0.000 1.291 519 C CA -0.937 57.884 59.018 -0.329 0.000 1.273 519 C CB 0.979 28.649 27.740 -0.116 0.000 1.580 519 C HN 0.791 nan 8.230 nan 0.000 0.481 520 D N 1.016 121.264 120.400 -0.254 0.000 2.357 520 D HA 0.632 5.272 4.640 0.000 0.000 0.242 520 D C 0.171 176.401 176.300 -0.117 0.000 1.153 520 D CA 0.664 54.601 54.000 -0.104 0.000 0.918 520 D CB 1.520 42.340 40.800 0.034 0.000 1.181 520 D HN 1.218 nan 8.370 nan 0.000 0.435 521 A N 0.960 123.718 122.820 -0.102 0.000 2.520 521 A HA 0.563 4.883 4.320 0.000 0.000 0.298 521 A C -0.907 176.521 177.584 -0.261 0.000 1.051 521 A CA -0.702 51.205 52.037 -0.217 0.000 0.690 521 A CB 0.974 19.712 19.000 -0.437 0.000 1.281 521 A HN 0.442 nan 8.150 nan 0.000 0.402 522 L N 0.724 121.799 121.223 -0.248 0.000 2.416 522 L HA 0.691 5.031 4.340 0.000 0.000 0.262 522 L C -0.974 175.673 176.870 -0.372 0.000 1.093 522 L CA -0.396 54.368 54.840 -0.126 0.000 0.801 522 L CB 1.075 43.100 42.059 -0.058 0.000 1.191 522 L HN 0.713 nan 8.230 nan 0.000 0.459 523 F N 0.112 120.151 119.950 0.148 0.000 2.565 523 F HA 0.438 4.965 4.527 0.001 0.000 0.313 523 F C -2.315 173.471 175.800 -0.024 0.000 1.091 523 F CA -2.427 55.636 58.000 0.104 0.000 0.915 523 F CB 1.520 40.567 39.000 0.078 0.000 1.208 523 F HN 0.174 nan 8.300 nan 0.000 0.453 524 P HA 0.046 nan 4.420 nan 0.000 0.276 524 P C -0.777 176.140 177.300 -0.639 0.000 1.230 524 P CA -0.130 62.614 63.100 -0.594 0.000 0.776 524 P CB 0.635 31.555 31.700 -1.300 0.000 0.888 525 D N 2.508 122.673 120.400 -0.393 0.000 2.508 525 D HA 0.056 4.696 4.640 0.000 0.000 0.224 525 D C 0.415 176.591 176.300 -0.207 0.000 1.171 525 D CA -0.157 53.704 54.000 -0.231 0.000 1.006 525 D CB -0.333 40.365 40.800 -0.169 0.000 1.073 525 D HN 0.309 nan 8.370 nan 0.000 0.513 526 W N 2.032 123.308 121.300 -0.041 0.000 2.350 526 W HA -0.058 4.602 4.660 0.000 0.000 0.289 526 W C 2.419 178.897 176.519 -0.069 0.000 1.215 526 W CA 0.684 57.974 57.345 -0.092 0.000 1.236 526 W CB -0.186 29.154 29.460 -0.200 0.000 1.130 526 W HN 0.463 nan 8.180 nan 0.000 0.541 527 G N 0.431 109.312 108.800 0.135 0.000 2.509 527 G HA2 -0.132 3.829 3.960 0.000 0.000 0.218 527 G HA3 -0.132 3.829 3.960 0.000 0.000 0.218 527 G C 0.736 175.665 174.900 0.047 0.000 1.124 527 G CA -0.281 44.864 45.100 0.075 0.000 0.776 527 G HN 0.092 nan 8.290 nan 0.000 0.547 528 R N 0.819 121.327 120.500 0.014 0.000 2.489 528 R HA 0.130 4.470 4.340 0.000 0.000 0.287 528 R C -1.320 174.996 176.300 0.027 0.000 1.053 528 R CA -1.067 55.029 56.100 -0.007 0.000 1.036 528 R CB 0.848 31.109 30.300 -0.064 0.000 0.966 528 R HN 0.101 nan 8.270 nan 0.000 0.432 529 P HA -0.120 nan 4.420 nan 0.000 0.234 529 P C -0.177 177.155 177.300 0.052 0.000 1.167 529 P CA 1.033 64.162 63.100 0.048 0.000 0.763 529 P CB 0.274 31.999 31.700 0.041 0.000 0.835 530 D N -1.413 119.007 120.400 0.033 0.000 2.379 530 D HA -0.015 4.625 4.640 0.000 0.000 0.208 530 D C 1.660 178.012 176.300 0.086 0.000 1.065 530 D CA -0.066 53.961 54.000 0.045 0.000 0.848 530 D CB -1.021 39.783 40.800 0.006 0.000 0.949 530 D HN -0.029 nan 8.370 nan 0.000 0.509 531 V N 1.023 120.986 119.914 0.081 0.000 2.427 531 V HA -0.136 3.985 4.120 0.000 0.000 0.248 531 V C 2.653 178.965 176.094 0.364 0.000 1.051 531 V CA 1.753 64.142 62.300 0.148 0.000 1.048 531 V CB -0.637 31.182 31.823 -0.007 0.000 0.666 531 V HN 0.374 nan 8.190 nan 0.000 0.456 532 A N -0.509 122.486 122.820 0.291 0.000 1.898 532 A HA -0.259 4.061 4.320 0.000 0.000 0.216 532 A C 2.280 180.036 177.584 0.287 0.000 1.181 532 A CA 1.915 54.147 52.037 0.324 0.000 0.620 532 A CB -0.500 18.621 19.000 0.202 0.000 0.819 532 A HN 0.592 nan 8.150 nan 0.000 0.442 533 E N -1.397 118.932 120.200 0.215 0.000 2.085 533 E HA -0.263 4.088 4.350 0.000 0.000 0.194 533 E C 1.827 178.534 176.600 0.179 0.000 0.994 533 E CA 1.583 58.077 56.400 0.156 0.000 0.801 533 E CB -0.297 29.478 29.700 0.125 0.000 0.743 533 E HN 0.804 nan 8.360 nan 0.000 0.453 534 W N 0.966 122.314 121.300 0.080 0.000 2.355 534 W HA -0.192 4.468 4.660 0.000 0.000 0.309 534 W C 2.098 178.682 176.519 0.109 0.000 1.206 534 W CA 1.655 59.036 57.345 0.061 0.000 1.284 534 W CB -0.733 28.757 29.460 0.049 0.000 1.145 534 W HN 0.282 nan 8.180 nan 0.000 0.502 535 W N 1.410 122.639 121.300 -0.119 0.000 2.378 535 W HA -0.092 4.569 4.660 0.001 0.000 0.313 535 W C 2.098 178.487 176.519 -0.216 0.000 1.197 535 W CA 2.082 59.200 57.345 -0.378 0.000 1.304 535 W CB -0.999 28.589 29.460 0.213 0.000 1.148 535 W HN 0.040 nan 8.180 nan 0.000 0.494 536 G N 0.690 109.480 108.800 -0.017 0.000 2.442 536 G HA2 -0.408 3.552 3.960 0.000 0.000 0.219 536 G HA3 -0.408 3.552 3.960 0.000 0.000 0.219 536 G C 1.255 176.024 174.900 -0.219 0.000 1.141 536 G CA 1.399 46.408 45.100 -0.151 0.000 0.763 536 G HN 0.374 nan 8.290 nan 0.000 0.554 537 N N 0.831 119.376 118.700 -0.259 0.000 2.223 537 N HA -0.100 4.641 4.740 0.000 0.000 0.185 537 N C 2.002 177.219 175.510 -0.489 0.000 1.016 537 N CA 1.151 54.030 53.050 -0.286 0.000 0.863 537 N CB -0.152 38.205 38.487 -0.218 0.000 0.983 537 N HN 0.152 nan 8.380 nan 0.000 0.429 538 N N -0.393 117.792 118.700 -0.860 0.000 2.272 538 N HA -0.168 4.572 4.740 0.000 0.000 0.185 538 N C 0.970 175.665 175.510 -1.358 0.000 1.014 538 N CA 0.875 53.110 53.050 -1.357 0.000 0.870 538 N CB -0.391 36.670 38.487 -2.375 0.000 0.975 538 N HN 0.504 nan 8.380 nan 0.000 0.433 539 Y N 1.424 121.058 120.300 -1.109 0.000 2.403 539 Y HA -0.065 4.485 4.550 0.001 0.000 0.291 539 Y C 2.145 177.597 175.900 -0.746 0.000 1.143 539 Y CA 0.805 58.358 58.100 -0.911 0.000 1.257 539 Y CB 0.033 38.011 38.460 -0.803 0.000 0.984 539 Y HN 0.020 nan 8.280 nan 0.000 0.550 540 K N 0.410 120.627 120.400 -0.305 0.000 2.152 540 K HA -0.213 4.107 4.320 0.000 0.000 0.206 540 K C 1.737 178.258 176.600 -0.133 0.000 1.048 540 K CA 1.524 57.742 56.287 -0.116 0.000 0.933 540 K CB -0.155 32.295 32.500 -0.084 0.000 0.721 540 K HN 0.321 nan 8.250 nan 0.000 0.447 541 K N 0.431 120.684 120.400 -0.244 0.000 2.283 541 K HA -0.071 4.249 4.320 0.000 0.000 0.202 541 K C 1.784 178.346 176.600 -0.064 0.000 1.048 541 K CA 0.877 57.082 56.287 -0.137 0.000 0.948 541 K CB 0.103 32.498 32.500 -0.174 0.000 0.742 541 K HN 0.120 nan 8.250 nan 0.000 0.458 542 L N -1.368 119.751 121.223 -0.173 0.000 2.388 542 L HA 0.080 4.420 4.340 0.000 0.000 0.209 542 L C 1.625 178.479 176.870 -0.027 0.000 1.061 542 L CA 0.053 54.811 54.840 -0.136 0.000 0.834 542 L CB -0.102 41.766 42.059 -0.318 0.000 1.029 542 L HN -0.003 nan 8.230 nan 0.000 0.473 543 F N 0.923 120.856 119.950 -0.028 0.000 2.216 543 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 543 F C 2.864 178.686 175.800 0.037 0.000 1.085 543 F CA 1.181 59.181 58.000 -0.001 0.000 1.326 543 F CB -1.157 37.855 39.000 0.020 0.000 1.027 543 F HN 0.134 nan 8.300 nan 0.000 0.497 544 S N 0.364 116.192 115.700 0.213 0.000 2.561 544 S HA -0.020 4.450 4.470 0.000 0.000 0.225 544 S C 1.355 176.064 174.600 0.182 0.000 0.977 544 S CA 0.520 58.820 58.200 0.168 0.000 0.926 544 S CB -1.141 62.130 63.200 0.119 0.000 0.769 544 S HN 0.561 nan 8.310 nan 0.000 0.533 545 I N -3.075 117.614 120.570 0.198 0.000 3.889 545 I HA 0.688 4.858 4.170 0.000 0.000 0.332 545 I C 1.144 177.387 176.117 0.210 0.000 1.493 545 I CA -0.065 61.366 61.300 0.219 0.000 1.158 545 I CB -0.108 38.053 38.000 0.270 0.000 1.117 545 I HN 0.271 nan 8.210 nan 0.000 0.411 546 G N 1.606 110.525 108.800 0.198 0.000 2.213 546 G HA2 -0.261 3.699 3.960 0.000 0.000 0.226 546 G HA3 -0.261 3.699 3.960 0.000 0.000 0.226 546 G C -0.009 174.923 174.900 0.054 0.000 0.992 546 G CA 0.001 45.202 45.100 0.168 0.000 0.632 546 G HN 0.399 nan 8.290 nan 0.000 0.511 547 L N 2.008 123.147 121.223 -0.140 0.000 2.578 547 L HA 0.315 4.655 4.340 0.000 0.000 0.279 547 L C 1.123 178.021 176.870 0.047 0.000 1.227 547 L CA 1.253 55.798 54.840 -0.492 0.000 0.900 547 L CB 0.435 42.143 42.059 -0.584 0.000 1.144 547 L HN 0.255 nan 8.230 nan 0.000 0.496 548 D N 4.647 125.083 120.400 0.059 0.000 2.269 548 D HA 0.095 4.735 4.640 0.000 0.000 0.220 548 D C 0.142 176.701 176.300 0.431 0.000 0.962 548 D CA 1.462 55.623 54.000 0.268 0.000 0.884 548 D CB 0.197 41.159 40.800 0.270 0.000 1.023 548 D HN 0.512 nan 8.370 nan 0.000 0.484 549 F N -0.343 119.686 119.950 0.133 0.000 2.923 549 F HA 0.550 5.077 4.527 0.000 0.000 0.323 549 F C -1.211 174.658 175.800 0.116 0.000 1.189 549 F CA -1.375 56.741 58.000 0.193 0.000 0.930 549 F CB 1.377 40.518 39.000 0.235 0.000 1.414 549 F HN -0.204 nan 8.300 nan 0.000 0.496 550 V N -1.177 118.723 119.914 -0.022 0.000 3.102 550 V HA 0.819 4.939 4.120 0.000 0.000 0.312 550 V C -1.903 174.113 176.094 -0.130 0.000 1.135 550 V CA -0.959 61.243 62.300 -0.164 0.000 1.022 550 V CB 1.694 33.546 31.823 0.049 0.000 1.056 550 V HN 1.278 nan 8.190 nan 0.000 0.436 551 W N 1.693 122.812 121.300 -0.302 0.000 2.739 551 W HA 0.779 5.439 4.660 0.000 0.000 0.331 551 W C -0.998 175.471 176.519 -0.083 0.000 1.049 551 W CA -0.855 56.347 57.345 -0.239 0.000 1.234 551 W CB 1.640 30.832 29.460 -0.447 0.000 1.404 551 W HN 0.602 nan 8.180 nan 0.000 0.477 552 Q N 3.956 123.917 119.800 0.269 0.000 2.296 552 Q HA 0.222 4.562 4.340 0.000 0.000 0.257 552 Q C -1.105 175.143 176.000 0.412 0.000 0.942 552 Q CA -0.120 55.811 55.803 0.213 0.000 0.939 552 Q CB 1.793 30.616 28.738 0.143 0.000 1.198 552 Q HN 0.650 nan 8.270 nan 0.000 0.429 553 D N 2.180 122.774 120.400 0.323 0.000 2.350 553 D HA 0.374 5.015 4.640 0.000 0.000 0.238 553 D C 0.153 176.618 176.300 0.275 0.000 0.989 553 D CA -0.446 53.821 54.000 0.445 0.000 0.921 553 D CB 0.794 41.898 40.800 0.508 0.000 1.297 553 D HN 0.302 nan 8.370 nan 0.000 0.490 554 M N 1.129 120.878 119.600 0.248 0.000 2.427 554 M HA -0.164 4.316 4.480 0.000 0.000 0.204 554 M C 0.661 177.072 176.300 0.185 0.000 0.413 554 M CA 0.943 56.371 55.300 0.214 0.000 0.507 554 M CB -3.097 29.695 32.600 0.319 0.000 1.823 554 M HN 0.582 nan 8.290 nan 0.000 0.859 555 T N -4.603 110.037 114.554 0.144 0.000 3.219 555 T HA 0.313 4.663 4.350 0.000 0.000 0.249 555 T C 1.524 176.306 174.700 0.137 0.000 1.099 555 T CA 0.394 62.586 62.100 0.153 0.000 0.988 555 T CB 0.001 68.928 68.868 0.098 0.000 0.999 555 T HN 0.294 nan 8.240 nan 0.000 0.550 556 V N 1.590 121.507 119.914 0.005 0.000 2.287 556 V HA 0.009 4.129 4.120 0.000 0.000 0.248 556 V C -1.282 174.586 176.094 -0.376 0.000 1.053 556 V CA 0.856 63.073 62.300 -0.139 0.000 1.027 556 V CB -1.733 29.949 31.823 -0.236 0.000 0.646 556 V HN 0.510 nan 8.190 nan 0.000 0.447 557 P HA 0.276 nan 4.420 nan 0.000 0.276 557 P C -0.502 176.626 177.300 -0.287 0.000 1.235 557 P CA 0.154 63.084 63.100 -0.283 0.000 0.772 557 P CB 1.021 32.536 31.700 -0.308 0.000 0.871 558 A N 5.145 127.902 122.820 -0.104 0.000 2.511 558 A HA 0.459 4.779 4.320 0.000 0.000 0.242 558 A C 0.289 177.777 177.584 -0.159 0.000 1.069 558 A CA 0.266 52.216 52.037 -0.144 0.000 0.763 558 A CB -0.406 18.564 19.000 -0.050 0.000 1.001 558 A HN 0.574 nan 8.150 nan 0.000 0.498 559 M N 2.210 121.672 119.600 -0.230 0.000 2.531 559 M HA 0.339 4.819 4.480 0.000 0.000 0.286 559 M C -0.213 175.995 176.300 -0.153 0.000 1.232 559 M CA -0.424 54.763 55.300 -0.188 0.000 0.877 559 M CB 2.183 34.637 32.600 -0.243 0.000 1.726 559 M HN 0.843 nan 8.290 nan 0.000 0.463 560 M N 4.724 124.274 119.600 -0.083 0.000 2.260 560 M HA 0.143 4.624 4.480 0.000 0.000 0.348 560 M C -2.049 174.254 176.300 0.005 0.000 1.342 560 M CA -0.801 54.491 55.300 -0.013 0.000 1.040 560 M CB 0.513 33.160 32.600 0.078 0.000 1.810 560 M HN 0.203 nan 8.290 nan 0.000 0.453 561 P HA -0.044 nan 4.420 nan 0.000 0.264 561 P C -1.382 176.050 177.300 0.220 0.000 1.183 561 P CA 0.773 63.930 63.100 0.094 0.000 0.763 561 P CB 0.212 32.080 31.700 0.280 0.000 0.807 562 H N 1.619 120.737 119.070 0.080 0.000 3.038 562 H HA 0.325 4.881 4.556 0.001 0.000 0.362 562 H C -1.444 174.086 175.328 0.337 0.000 1.167 562 H CA -0.825 55.323 56.048 0.166 0.000 1.197 562 H CB 2.205 32.043 29.762 0.126 0.000 1.840 562 H HN 0.354 nan 8.280 nan 0.000 0.540 563 K N 5.672 125.838 120.400 -0.390 0.000 2.244 563 K HA 0.263 4.583 4.320 0.000 0.000 0.260 563 K C -0.057 176.268 176.600 -0.459 0.000 0.951 563 K CA -0.809 55.369 56.287 -0.182 0.000 0.826 563 K CB 0.935 33.248 32.500 -0.310 0.000 1.108 563 K HN 0.399 nan 8.250 nan 0.000 0.433 564 I N 3.671 124.159 120.570 -0.137 0.000 2.906 564 I HA -0.110 4.060 4.170 0.000 0.000 0.302 564 I C 1.484 177.518 176.117 -0.139 0.000 1.220 564 I CA 1.912 63.116 61.300 -0.159 0.000 1.441 564 I CB -0.302 37.625 38.000 -0.123 0.000 1.336 564 I HN 1.144 nan 8.210 nan 0.000 0.565 565 G N 5.299 114.047 108.800 -0.088 0.000 2.279 565 G HA2 -0.183 3.777 3.960 0.000 0.000 0.223 565 G HA3 -0.183 3.777 3.960 0.000 0.000 0.223 565 G C 0.128 174.996 174.900 -0.053 0.000 1.015 565 G CA -0.278 44.779 45.100 -0.071 0.000 0.621 565 G HN 0.531 nan 8.290 nan 0.000 0.506 566 D N 1.962 122.314 120.400 -0.080 0.000 2.313 566 D HA 0.461 5.101 4.640 0.000 0.000 0.247 566 D C 0.317 176.716 176.300 0.165 0.000 1.094 566 D CA -0.357 53.634 54.000 -0.014 0.000 0.925 566 D CB 0.633 41.372 40.800 -0.101 0.000 1.188 566 D HN 0.168 nan 8.370 nan 0.000 0.430 567 D N 0.540 120.992 120.400 0.087 0.000 2.406 567 D HA -0.026 4.614 4.640 0.000 0.000 0.234 567 D C 1.611 177.959 176.300 0.079 0.000 1.196 567 D CA -0.008 54.029 54.000 0.062 0.000 0.881 567 D CB 0.725 41.523 40.800 -0.002 0.000 1.205 567 D HN 0.299 nan 8.370 nan 0.000 0.453 568 I N 1.110 121.647 120.570 -0.055 0.000 2.286 568 I HA -0.295 3.876 4.170 0.000 0.000 0.248 568 I C 1.688 177.625 176.117 -0.299 0.000 1.115 568 I CA 0.994 62.157 61.300 -0.228 0.000 1.392 568 I CB -0.202 37.708 38.000 -0.150 0.000 1.065 568 I HN 0.364 nan 8.210 nan 0.000 0.418 569 N N 1.055 119.544 118.700 -0.351 0.000 2.383 569 N HA -0.025 4.715 4.740 0.000 0.000 0.192 569 N C 0.011 175.329 175.510 -0.320 0.000 1.141 569 N CA 0.112 52.737 53.050 -0.709 0.000 0.851 569 N CB -0.595 37.546 38.487 -0.576 0.000 0.976 569 N HN 0.223 nan 8.380 nan 0.000 0.465 570 V N -1.727 118.128 119.914 -0.097 0.000 2.483 570 V HA 0.606 4.727 4.120 0.000 0.000 0.295 570 V C -0.088 176.057 176.094 0.086 0.000 1.035 570 V CA -1.273 61.022 62.300 -0.007 0.000 0.896 570 V CB 1.155 32.976 31.823 -0.003 0.000 0.986 570 V HN 0.291 nan 8.190 nan 0.000 0.447 571 K N 3.979 124.415 120.400 0.060 0.000 2.208 571 K HA 0.868 5.188 4.320 0.000 0.000 0.247 571 K C -2.841 173.795 176.600 0.060 0.000 0.953 571 K CA -1.814 54.535 56.287 0.102 0.000 0.837 571 K CB 1.487 34.054 32.500 0.111 0.000 1.131 571 K HN 0.511 nan 8.250 nan 0.000 0.431 572 P HA 0.032 nan 4.420 nan 0.000 0.276 572 P C -0.877 176.472 177.300 0.081 0.000 1.261 572 P CA -0.449 62.661 63.100 0.018 0.000 0.800 572 P CB 0.369 32.123 31.700 0.091 0.000 1.066 573 D N -0.213 120.222 120.400 0.057 0.000 2.525 573 D HA -0.046 4.594 4.640 0.000 0.000 0.235 573 D C 1.519 177.927 176.300 0.180 0.000 1.137 573 D CA 0.619 54.682 54.000 0.106 0.000 0.868 573 D CB 0.776 41.636 40.800 0.098 0.000 1.180 573 D HN 0.506 nan 8.370 nan 0.000 0.465 574 G N 3.800 112.700 108.800 0.166 0.000 2.498 574 G HA2 -0.260 3.701 3.960 0.000 0.000 0.219 574 G HA3 -0.260 3.701 3.960 0.000 0.000 0.219 574 G C 1.356 176.444 174.900 0.312 0.000 1.119 574 G CA 0.088 45.316 45.100 0.214 0.000 0.766 574 G HN 0.516 nan 8.290 nan 0.000 0.552 575 N N -0.954 117.919 118.700 0.288 0.000 2.463 575 N HA 0.008 4.748 4.740 0.000 0.000 0.181 575 N C -0.116 175.516 175.510 0.204 0.000 1.078 575 N CA 0.026 53.279 53.050 0.339 0.000 0.902 575 N CB 0.134 38.793 38.487 0.287 0.000 0.970 575 N HN 0.511 nan 8.380 nan 0.000 0.451 576 W N 3.134 124.416 121.300 -0.029 0.000 2.469 576 W HA 0.382 5.042 4.660 0.000 0.000 0.320 576 W C -2.213 174.049 176.519 -0.429 0.000 1.086 576 W CA -1.737 55.507 57.345 -0.169 0.000 1.211 576 W CB 1.099 30.477 29.460 -0.137 0.000 1.298 576 W HN -0.105 nan 8.180 nan 0.000 0.525 577 P HA 0.281 nan 4.420 nan 0.000 0.278 577 P C -1.447 175.416 177.300 -0.730 0.000 1.258 577 P CA -0.197 61.853 63.100 -1.750 0.000 0.811 577 P CB 1.734 32.323 31.700 -1.853 0.000 1.063 578 N N -1.726 116.668 118.700 -0.510 0.000 3.204 578 N HA 0.499 5.240 4.740 0.000 0.000 0.285 578 N C 0.758 176.130 175.510 -0.231 0.000 1.536 578 N CA -0.768 52.108 53.050 -0.291 0.000 0.832 578 N CB -0.198 38.179 38.487 -0.184 0.000 1.645 578 N HN 0.163 nan 8.380 nan 0.000 0.586 579 A N -0.479 122.176 122.820 -0.275 0.000 1.883 579 A HA -0.145 4.175 4.320 0.000 0.000 0.217 579 A C 1.041 178.568 177.584 -0.095 0.000 1.186 579 A CA 1.936 53.818 52.037 -0.258 0.000 0.624 579 A CB -0.931 17.718 19.000 -0.586 0.000 0.822 579 A HN 0.724 nan 8.150 nan 0.000 0.444 580 D N -0.844 119.536 120.400 -0.034 0.000 2.355 580 D HA 0.074 4.714 4.640 0.000 0.000 0.218 580 D C -0.246 176.091 176.300 0.061 0.000 1.004 580 D CA 0.680 54.716 54.000 0.060 0.000 0.880 580 D CB 0.258 41.127 40.800 0.116 0.000 0.911 580 D HN 0.358 nan 8.370 nan 0.000 0.528 581 D N 0.112 120.531 120.400 0.031 0.000 2.846 581 D HA 0.126 4.766 4.640 0.000 0.000 0.279 581 D C -2.664 173.619 176.300 -0.028 0.000 1.222 581 D CA -1.677 52.383 54.000 0.100 0.000 0.769 581 D CB 1.390 42.320 40.800 0.217 0.000 1.299 581 D HN -0.067 nan 8.370 nan 0.000 0.537 582 P HA 0.051 nan 4.420 nan 0.000 0.274 582 P C 1.028 178.253 177.300 -0.125 0.000 1.260 582 P CA -0.209 62.829 63.100 -0.104 0.000 0.793 582 P CB 1.140 32.849 31.700 0.016 0.000 1.048 583 S N 0.401 116.014 115.700 -0.145 0.000 2.368 583 S HA -0.144 4.326 4.470 0.000 0.000 0.224 583 S C 0.642 175.379 174.600 0.228 0.000 1.029 583 S CA 1.076 59.228 58.200 -0.079 0.000 0.988 583 S CB -1.260 61.976 63.200 0.059 0.000 0.838 583 S HN 0.506 nan 8.310 nan 0.000 0.462 584 N N 0.934 119.766 118.700 0.220 0.000 2.716 584 N HA -0.175 4.565 4.740 0.000 0.000 0.250 584 N C 0.636 176.302 175.510 0.259 0.000 1.033 584 N CA 1.278 54.463 53.050 0.226 0.000 0.727 584 N CB -2.053 36.550 38.487 0.193 0.000 0.950 584 N HN 0.912 nan 8.380 nan 0.000 0.541 585 G N -1.325 107.670 108.800 0.324 0.000 2.143 585 G HA2 -0.373 3.587 3.960 0.000 0.000 0.248 585 G HA3 -0.373 3.587 3.960 0.000 0.000 0.248 585 G C 0.675 175.767 174.900 0.320 0.000 0.991 585 G CA 0.787 46.090 45.100 0.337 0.000 0.689 585 G HN 0.573 nan 8.290 nan 0.000 0.522 586 Q N -1.935 118.087 119.800 0.370 0.000 2.402 586 Q HA 0.248 4.588 4.340 0.000 0.000 0.231 586 Q C 0.827 177.152 176.000 0.542 0.000 0.888 586 Q CA -0.106 55.927 55.803 0.383 0.000 0.938 586 Q CB 0.671 29.640 28.738 0.385 0.000 1.086 586 Q HN 0.515 nan 8.270 nan 0.000 0.543 587 Y N 2.851 123.334 120.300 0.306 0.000 2.304 587 Y HA 0.022 4.573 4.550 0.000 0.000 0.327 587 Y C 0.929 176.836 175.900 0.011 0.000 1.209 587 Y CA -0.730 57.399 58.100 0.048 0.000 1.299 587 Y CB 0.644 38.718 38.460 -0.644 0.000 1.249 587 Y HN 0.124 nan 8.280 nan 0.000 0.519 588 N N 1.961 120.297 118.700 -0.606 0.000 2.280 588 N HA -0.084 4.656 4.740 0.000 0.000 0.192 588 N C -0.253 174.971 175.510 -0.476 0.000 1.109 588 N CA 0.088 52.755 53.050 -0.639 0.000 0.855 588 N CB -0.612 37.290 38.487 -0.974 0.000 0.974 588 N HN 0.794 nan 8.380 nan 0.000 0.482 589 W N 1.695 122.432 121.300 -0.938 0.000 6.170 589 W HA -0.270 4.390 4.660 0.000 0.000 0.394 589 W C -0.121 176.095 176.519 -0.505 0.000 1.480 589 W CA 0.648 57.745 57.345 -0.414 0.000 1.027 589 W CB -2.444 27.146 29.460 0.217 0.000 2.638 589 W HN 0.164 nan 8.180 nan 0.000 1.547 590 K N -1.847 118.254 120.400 -0.499 0.000 3.071 590 K HA -0.242 4.078 4.320 0.000 0.000 0.265 590 K C 0.336 176.670 176.600 -0.444 0.000 1.060 590 K CA 1.250 57.278 56.287 -0.432 0.000 0.767 590 K CB -1.452 30.773 32.500 -0.460 0.000 1.241 590 K HN 0.432 nan 8.250 nan 0.000 0.486 591 T N -2.139 112.172 114.554 -0.406 0.000 2.647 591 T HA 0.314 4.664 4.350 0.000 0.000 0.302 591 T C -1.327 173.113 174.700 -0.434 0.000 1.389 591 T CA -0.801 61.035 62.100 -0.440 0.000 1.037 591 T CB 0.359 68.987 68.868 -0.400 0.000 1.755 591 T HN 0.106 nan 8.240 nan 0.000 0.467 592 Y N 2.734 122.715 120.300 -0.531 0.000 2.811 592 Y HA 0.138 4.688 4.550 0.001 0.000 0.334 592 Y C 1.473 177.180 175.900 -0.323 0.000 1.247 592 Y CA 0.491 58.234 58.100 -0.595 0.000 1.526 592 Y CB 0.033 38.060 38.460 -0.721 0.000 1.284 592 Y HN 0.399 nan 8.280 nan 0.000 0.586 593 H N 6.134 125.254 119.070 0.083 0.000 3.107 593 H HA -0.038 4.518 4.556 0.000 0.000 0.301 593 H C -1.465 173.890 175.328 0.046 0.000 0.981 593 H CA -0.951 55.189 56.048 0.154 0.000 1.443 593 H CB 0.697 30.669 29.762 0.350 0.000 1.479 593 H HN 0.507 nan 8.280 nan 0.000 0.564 594 P HA -0.148 nan 4.420 nan 0.000 0.220 594 P C 1.001 178.362 177.300 0.101 0.000 1.144 594 P CA 1.211 64.429 63.100 0.197 0.000 0.800 594 P CB 0.363 32.308 31.700 0.408 0.000 0.772 595 Q N -1.128 118.651 119.800 -0.034 0.000 2.378 595 Q HA 0.024 4.365 4.340 0.000 0.000 0.205 595 Q C 0.787 176.791 176.000 0.006 0.000 0.954 595 Q CA 0.154 55.815 55.803 -0.238 0.000 0.901 595 Q CB -0.754 27.823 28.738 -0.268 0.000 0.981 595 Q HN 0.122 nan 8.270 nan 0.000 0.483 596 V N 1.458 121.319 119.914 -0.088 0.000 2.617 596 V HA -0.049 4.071 4.120 0.000 0.000 0.304 596 V C -0.180 175.789 176.094 -0.208 0.000 1.040 596 V CA 0.104 62.267 62.300 -0.227 0.000 1.149 596 V CB 0.191 31.596 31.823 -0.696 0.000 0.914 596 V HN 0.260 nan 8.190 nan 0.000 0.487 597 L N 7.992 129.158 121.223 -0.095 0.000 2.325 597 L HA 0.370 4.711 4.340 0.000 0.000 0.284 597 L C -0.052 176.714 176.870 -0.174 0.000 1.089 597 L CA -0.226 54.544 54.840 -0.117 0.000 0.836 597 L CB 1.152 43.188 42.059 -0.038 0.000 1.184 597 L HN 0.682 nan 8.230 nan 0.000 0.444 598 V N -0.007 119.777 119.914 -0.217 0.000 2.732 598 V HA 0.482 4.602 4.120 0.000 0.000 0.310 598 V C 0.420 176.443 176.094 -0.117 0.000 1.053 598 V CA -0.699 61.476 62.300 -0.210 0.000 0.957 598 V CB 1.517 33.175 31.823 -0.274 0.000 1.018 598 V HN 0.613 nan 8.190 nan 0.000 0.452 599 T N 3.035 117.538 114.554 -0.085 0.000 2.829 599 T HA 0.043 4.393 4.350 0.000 0.000 0.293 599 T C 0.065 174.757 174.700 -0.013 0.000 0.970 599 T CA 0.481 62.556 62.100 -0.042 0.000 1.168 599 T CB -0.195 68.652 68.868 -0.035 0.000 0.911 599 T HN 0.962 nan 8.240 nan 0.000 0.535 600 D N 2.944 123.353 120.400 0.015 0.000 2.581 600 D HA -0.033 4.607 4.640 0.000 0.000 0.238 600 D C 0.882 177.207 176.300 0.042 0.000 1.145 600 D CA 0.449 54.478 54.000 0.049 0.000 0.866 600 D CB 0.536 41.427 40.800 0.151 0.000 1.151 600 D HN 0.505 nan 8.370 nan 0.000 0.500 601 M N 3.078 122.674 119.600 -0.007 0.000 2.510 601 M HA 0.053 4.534 4.480 0.000 0.000 0.256 601 M C 1.792 178.032 176.300 -0.101 0.000 1.132 601 M CA 0.258 55.544 55.300 -0.024 0.000 1.105 601 M CB 0.373 32.959 32.600 -0.024 0.000 1.375 601 M HN 0.238 nan 8.290 nan 0.000 0.477 602 R N -0.510 119.873 120.500 -0.194 0.000 2.119 602 R HA -0.002 4.338 4.340 0.000 0.000 0.222 602 R C -0.378 175.528 176.300 -0.658 0.000 1.088 602 R CA 0.864 56.667 56.100 -0.496 0.000 0.984 602 R CB 0.196 30.076 30.300 -0.699 0.000 0.884 602 R HN 0.215 nan 8.270 nan 0.000 0.447 603 Y N 0.421 120.741 120.300 0.033 0.000 2.327 603 Y HA 0.268 4.818 4.550 0.000 0.000 0.325 603 Y C -0.492 175.449 175.900 0.067 0.000 0.999 603 Y CA -1.487 56.636 58.100 0.039 0.000 1.195 603 Y CB 1.318 39.803 38.460 0.042 0.000 1.132 603 Y HN -0.168 nan 8.280 nan 0.000 0.455 604 E N 2.213 122.510 120.200 0.162 0.000 2.392 604 E HA 0.137 4.487 4.350 0.000 0.000 0.264 604 E C -0.180 176.503 176.600 0.140 0.000 1.024 604 E CA 0.373 56.847 56.400 0.123 0.000 0.903 604 E CB 0.117 29.868 29.700 0.085 0.000 0.963 604 E HN 0.652 nan 8.360 nan 0.000 0.432 605 N N 2.258 121.030 118.700 0.120 0.000 2.740 605 N HA -0.272 4.468 4.740 0.000 0.000 0.248 605 N C -0.957 174.662 175.510 0.182 0.000 1.062 605 N CA 0.590 53.707 53.050 0.112 0.000 0.704 605 N CB -1.179 37.357 38.487 0.083 0.000 0.968 605 N HN 0.463 nan 8.380 nan 0.000 0.547 606 H N -0.250 118.851 119.070 0.051 0.000 2.779 606 H HA 0.444 5.000 4.556 0.000 0.000 0.230 606 H C 0.973 176.322 175.328 0.034 0.000 1.365 606 H CA 0.897 56.969 56.048 0.041 0.000 1.086 606 H CB -0.209 29.589 29.762 0.061 0.000 2.038 606 H HN 0.541 nan 8.280 nan 0.000 0.558 607 G N 1.195 109.973 108.800 -0.036 0.000 2.569 607 G HA2 -0.285 3.675 3.960 0.000 0.000 0.259 607 G HA3 -0.285 3.675 3.960 0.000 0.000 0.259 607 G C -0.485 174.387 174.900 -0.046 0.000 1.263 607 G CA -0.104 44.949 45.100 -0.077 0.000 0.928 607 G HN 0.563 nan 8.290 nan 0.000 0.572 608 R N 0.005 120.471 120.500 -0.057 0.000 2.854 608 R HA 0.728 5.068 4.340 0.000 0.000 0.271 608 R C -0.797 175.474 176.300 -0.048 0.000 0.994 608 R CA -0.895 55.176 56.100 -0.048 0.000 0.945 608 R CB 2.099 32.366 30.300 -0.055 0.000 1.194 608 R HN 0.565 nan 8.270 nan 0.000 0.476 609 E N 0.903 121.058 120.200 -0.075 0.000 2.383 609 E HA 0.340 4.690 4.350 0.000 0.000 0.275 609 E C -2.699 173.767 176.600 -0.224 0.000 0.918 609 E CA -2.406 53.920 56.400 -0.122 0.000 0.764 609 E CB 1.834 31.495 29.700 -0.065 0.000 1.252 609 E HN 0.235 nan 8.360 nan 0.000 0.449 610 P HA 0.013 nan 4.420 nan 0.000 0.265 610 P C 0.838 177.966 177.300 -0.287 0.000 1.193 610 P CA -0.017 62.888 63.100 -0.325 0.000 0.765 610 P CB 0.386 31.826 31.700 -0.433 0.000 0.823 611 M N 5.304 124.756 119.600 -0.246 0.000 2.195 611 M HA -0.143 4.337 4.480 0.000 0.000 0.260 611 M C 1.675 177.865 176.300 -0.184 0.000 1.066 611 M CA 1.635 56.787 55.300 -0.246 0.000 1.089 611 M CB -1.401 31.002 32.600 -0.329 0.000 1.377 611 M HN 0.156 nan 8.290 nan 0.000 0.411 612 V N 0.182 120.015 119.914 -0.135 0.000 2.546 612 V HA -0.263 3.857 4.120 0.000 0.000 0.254 612 V C 2.108 178.043 176.094 -0.264 0.000 1.076 612 V CA 2.490 64.723 62.300 -0.111 0.000 1.087 612 V CB -0.991 30.826 31.823 -0.010 0.000 0.674 612 V HN 0.822 nan 8.190 nan 0.000 0.470 613 T N -1.459 112.854 114.554 -0.401 0.000 3.085 613 T HA -0.081 4.269 4.350 0.000 0.000 0.263 613 T C 1.081 175.678 174.700 -0.172 0.000 1.127 613 T CA 1.073 62.960 62.100 -0.355 0.000 1.103 613 T CB -0.135 68.551 68.868 -0.303 0.000 0.921 613 T HN 0.815 nan 8.240 nan 0.000 0.510 614 Q N -0.650 119.046 119.800 -0.175 0.000 1.986 614 Q HA 0.343 4.683 4.340 0.000 0.000 0.225 614 Q C 1.454 177.352 176.000 -0.169 0.000 0.836 614 Q CA -0.622 55.075 55.803 -0.175 0.000 1.008 614 Q CB -0.123 28.519 28.738 -0.159 0.000 1.253 614 Q HN 0.281 nan 8.270 nan 0.000 0.415 615 R N 1.569 121.972 120.500 -0.162 0.000 2.113 615 R HA -0.148 4.192 4.340 0.000 0.000 0.244 615 R C 0.564 176.764 176.300 -0.165 0.000 1.142 615 R CA 2.254 58.252 56.100 -0.170 0.000 0.953 615 R CB 0.020 30.188 30.300 -0.220 0.000 0.860 615 R HN 0.275 nan 8.270 nan 0.000 0.438 616 N N 0.333 118.909 118.700 -0.206 0.000 2.515 616 N HA -0.047 4.694 4.740 0.000 0.000 0.191 616 N C 1.089 176.454 175.510 -0.242 0.000 1.182 616 N CA 0.480 53.404 53.050 -0.210 0.000 0.879 616 N CB 0.205 38.558 38.487 -0.224 0.000 0.984 616 N HN 0.410 nan 8.380 nan 0.000 0.453 617 I N -0.451 119.980 120.570 -0.232 0.000 4.018 617 I HA -0.038 4.132 4.170 0.000 0.000 0.337 617 I C 1.969 178.063 176.117 -0.038 0.000 1.327 617 I CA 0.040 61.219 61.300 -0.202 0.000 1.100 617 I CB 0.031 37.840 38.000 -0.319 0.000 1.025 617 I HN 0.147 nan 8.210 nan 0.000 0.396 618 H N 1.562 120.568 119.070 -0.108 0.000 2.290 618 H HA -0.167 4.389 4.556 0.000 0.000 0.298 618 H C 2.005 177.211 175.328 -0.203 0.000 1.087 618 H CA 2.187 58.167 56.048 -0.113 0.000 1.291 618 H CB 0.258 29.986 29.762 -0.057 0.000 1.369 618 H HN 0.424 nan 8.280 nan 0.000 0.492 619 A N 0.252 123.057 122.820 -0.026 0.000 1.930 619 A HA -0.204 4.116 4.320 0.000 0.000 0.217 619 A C 2.403 179.903 177.584 -0.140 0.000 1.175 619 A CA 1.309 53.282 52.037 -0.108 0.000 0.627 619 A CB -1.300 17.723 19.000 0.038 0.000 0.815 619 A HN 0.678 nan 8.150 nan 0.000 0.443 620 Y N 1.277 121.510 120.300 -0.111 0.000 2.165 620 Y HA -0.245 4.305 4.550 0.001 0.000 0.286 620 Y C 2.586 178.352 175.900 -0.224 0.000 1.155 620 Y CA 2.466 60.565 58.100 -0.002 0.000 1.164 620 Y CB -0.379 38.150 38.460 0.115 0.000 0.978 620 Y HN 0.326 nan 8.280 nan 0.000 0.513 621 T N 1.347 115.826 114.554 -0.126 0.000 2.770 621 T HA -0.147 4.203 4.350 0.000 0.000 0.263 621 T C 1.788 176.083 174.700 -0.675 0.000 1.039 621 T CA 1.566 63.492 62.100 -0.289 0.000 1.142 621 T CB -0.628 68.121 68.868 -0.198 0.000 0.868 621 T HN 0.475 nan 8.240 nan 0.000 0.435 622 L N 0.227 120.777 121.223 -1.120 0.000 2.131 622 L HA 0.058 4.398 4.340 0.000 0.000 0.210 622 L C 2.401 178.773 176.870 -0.831 0.000 1.092 622 L CA 1.221 55.117 54.840 -1.573 0.000 0.759 622 L CB -1.566 39.179 42.059 -2.191 0.000 0.903 622 L HN 0.157 nan 8.230 nan 0.000 0.435 623 C N 0.099 118.997 119.300 -0.669 0.000 2.446 623 C HA -0.120 4.340 4.460 0.000 0.000 0.277 623 C C 2.793 177.215 174.990 -0.947 0.000 1.275 623 C CA 1.099 59.777 59.018 -0.567 0.000 1.727 623 C CB -0.830 26.701 27.740 -0.349 0.000 2.010 623 C HN 0.750 nan 8.230 nan 0.000 0.486 624 E N 0.893 120.195 120.200 -1.498 0.000 2.049 624 E HA -0.211 4.139 4.350 0.000 0.000 0.198 624 E C 2.115 178.340 176.600 -0.625 0.000 1.007 624 E CA 1.776 57.251 56.400 -1.543 0.000 0.809 624 E CB -0.076 28.967 29.700 -1.094 0.000 0.749 624 E HN 0.574 nan 8.360 nan 0.000 0.450 625 S N -0.189 115.270 115.700 -0.401 0.000 2.383 625 S HA -0.115 4.355 4.470 0.000 0.000 0.227 625 S C 2.006 176.601 174.600 -0.008 0.000 1.026 625 S CA 1.465 59.608 58.200 -0.095 0.000 0.981 625 S CB -0.305 62.944 63.200 0.082 0.000 0.818 625 S HN 0.347 nan 8.310 nan 0.000 0.472 626 T N 1.783 116.300 114.554 -0.061 0.000 2.777 626 T HA -0.078 4.272 4.350 0.000 0.000 0.266 626 T C 1.941 176.513 174.700 -0.213 0.000 1.040 626 T CA 1.421 63.477 62.100 -0.072 0.000 1.141 626 T CB -0.199 68.667 68.868 -0.004 0.000 0.868 626 T HN 0.233 nan 8.240 nan 0.000 0.444 627 R N 1.667 122.038 120.500 -0.216 0.000 2.073 627 R HA 0.023 4.363 4.340 0.000 0.000 0.234 627 R C 2.229 178.469 176.300 -0.100 0.000 1.134 627 R CA 1.809 57.822 56.100 -0.145 0.000 0.952 627 R CB -0.346 29.897 30.300 -0.094 0.000 0.850 627 R HN 0.362 nan 8.270 nan 0.000 0.433 628 K N -0.570 119.771 120.400 -0.099 0.000 2.021 628 K HA -0.046 4.275 4.320 0.000 0.000 0.205 628 K C 1.542 178.116 176.600 -0.044 0.000 1.047 628 K CA 1.590 57.845 56.287 -0.052 0.000 0.943 628 K CB 0.056 32.535 32.500 -0.036 0.000 0.725 628 K HN 0.090 nan 8.250 nan 0.000 0.439 629 E N -0.872 119.304 120.200 -0.039 0.000 2.340 629 E HA 0.080 4.431 4.350 0.000 0.000 0.194 629 E C 1.515 178.059 176.600 -0.094 0.000 0.996 629 E CA 0.712 57.097 56.400 -0.024 0.000 0.869 629 E CB 0.546 30.270 29.700 0.040 0.000 0.835 629 E HN 0.496 nan 8.360 nan 0.000 0.493 630 G N -0.031 108.642 108.800 -0.210 0.000 2.411 630 G HA2 -0.033 3.927 3.960 0.000 0.000 0.213 630 G HA3 -0.033 3.927 3.960 0.000 0.000 0.213 630 G C 1.479 176.241 174.900 -0.230 0.000 1.166 630 G CA 0.274 45.063 45.100 -0.518 0.000 0.802 630 G HN 0.111 nan 8.290 nan 0.000 0.533 631 I N -0.438 120.051 120.570 -0.135 0.000 3.196 631 I HA 0.050 4.220 4.170 0.000 0.000 0.248 631 I C 2.620 178.714 176.117 -0.038 0.000 1.105 631 I CA 0.142 61.426 61.300 -0.027 0.000 1.482 631 I CB -0.053 37.925 38.000 -0.036 0.000 1.400 631 I HN -0.065 nan 8.210 nan 0.000 0.464 632 V N 1.154 121.043 119.914 -0.042 0.000 2.332 632 V HA -0.281 3.839 4.120 0.000 0.000 0.248 632 V C 2.026 178.108 176.094 -0.021 0.000 1.055 632 V CA 1.927 64.209 62.300 -0.030 0.000 1.038 632 V CB -0.695 31.113 31.823 -0.025 0.000 0.651 632 V HN 0.413 nan 8.190 nan 0.000 0.450 633 E N -0.091 120.099 120.200 -0.017 0.000 2.482 633 E HA -0.055 4.295 4.350 0.000 0.000 0.196 633 E C 0.895 177.499 176.600 0.007 0.000 1.047 633 E CA 0.202 56.599 56.400 -0.005 0.000 0.869 633 E CB -0.007 29.690 29.700 -0.005 0.000 0.836 633 E HN 0.538 nan 8.360 nan 0.000 0.520 634 N N -0.276 118.435 118.700 0.019 0.000 2.234 634 N HA 0.144 4.884 4.740 0.000 0.000 0.227 634 N C 0.821 176.324 175.510 -0.011 0.000 1.151 634 N CA 0.140 53.223 53.050 0.056 0.000 0.865 634 N CB 0.912 39.526 38.487 0.213 0.000 1.066 634 N HN 0.050 nan 8.380 nan 0.000 0.515 635 A N 0.922 123.719 122.820 -0.037 0.000 1.917 635 A HA -0.198 4.122 4.320 0.000 0.000 0.219 635 A C 1.654 179.217 177.584 -0.035 0.000 1.182 635 A CA 1.619 53.622 52.037 -0.056 0.000 0.633 635 A CB -0.218 18.763 19.000 -0.032 0.000 0.819 635 A HN 0.097 nan 8.150 nan 0.000 0.448 636 D N -0.839 119.556 120.400 -0.008 0.000 2.218 636 D HA -0.076 4.564 4.640 0.000 0.000 0.204 636 D C 1.761 178.071 176.300 0.015 0.000 0.976 636 D CA 1.746 55.749 54.000 0.004 0.000 0.853 636 D CB -0.451 40.356 40.800 0.011 0.000 0.939 636 D HN 0.459 nan 8.370 nan 0.000 0.481 637 T N 0.313 114.886 114.554 0.031 0.000 3.054 637 T HA 0.114 4.465 4.350 0.000 0.000 0.259 637 T C 1.091 175.827 174.700 0.059 0.000 1.092 637 T CA -0.202 61.943 62.100 0.075 0.000 1.121 637 T CB 0.294 69.250 68.868 0.147 0.000 0.912 637 T HN 0.038 nan 8.240 nan 0.000 0.489 638 L N 2.623 123.812 121.223 -0.055 0.000 2.490 638 L HA 0.069 4.409 4.340 0.000 0.000 0.274 638 L C 2.083 178.945 176.870 -0.013 0.000 1.201 638 L CA -0.082 54.686 54.840 -0.120 0.000 0.869 638 L CB 0.655 42.565 42.059 -0.248 0.000 1.123 638 L HN 0.304 nan 8.230 nan 0.000 0.484 639 T N -0.684 113.897 114.554 0.045 0.000 2.818 639 T HA -0.059 4.291 4.350 0.000 0.000 0.246 639 T C 1.633 176.291 174.700 -0.070 0.000 1.036 639 T CA 0.512 62.639 62.100 0.044 0.000 1.160 639 T CB -0.014 68.949 68.868 0.159 0.000 0.869 639 T HN 0.519 nan 8.240 nan 0.000 0.419 640 K N -0.304 120.017 120.400 -0.132 0.000 2.202 640 K HA 0.286 4.606 4.320 0.000 0.000 0.201 640 K C -0.603 175.627 176.600 -0.616 0.000 1.051 640 K CA 0.217 56.241 56.287 -0.439 0.000 0.977 640 K CB 0.293 32.409 32.500 -0.640 0.000 0.792 640 K HN 0.358 nan 8.250 nan 0.000 0.469 641 F N 0.298 120.251 119.950 0.005 0.000 2.507 641 F HA 0.411 4.938 4.527 0.000 0.000 0.328 641 F C 0.737 176.533 175.800 -0.006 0.000 1.136 641 F CA -0.947 57.077 58.000 0.041 0.000 0.930 641 F CB 1.797 40.901 39.000 0.173 0.000 1.166 641 F HN -0.222 nan 8.300 nan 0.000 0.436 642 R N 0.536 121.102 120.500 0.109 0.000 2.148 642 R HA 0.020 4.360 4.340 0.000 0.000 0.223 642 R C 0.964 177.274 176.300 0.016 0.000 1.088 642 R CA 0.555 56.669 56.100 0.024 0.000 0.985 642 R CB 0.137 30.442 30.300 0.008 0.000 0.880 642 R HN 0.466 nan 8.270 nan 0.000 0.451 643 R N 0.881 121.419 120.500 0.063 0.000 2.390 643 R HA 0.139 4.479 4.340 0.000 0.000 0.291 643 R C -0.576 175.726 176.300 0.002 0.000 1.070 643 R CA 0.178 56.283 56.100 0.009 0.000 1.014 643 R CB 1.229 31.519 30.300 -0.016 0.000 1.007 643 R HN -0.054 nan 8.270 nan 0.000 0.466 644 S N 2.154 117.848 115.700 -0.010 0.000 2.851 644 S HA 0.600 5.071 4.470 0.000 0.000 0.317 644 S C -1.996 172.680 174.600 0.127 0.000 1.144 644 S CA -0.564 57.670 58.200 0.057 0.000 0.862 644 S CB 1.105 64.314 63.200 0.015 0.000 1.259 644 S HN 0.520 nan 8.310 nan 0.000 0.564 645 Y N -0.149 120.168 120.300 0.030 0.000 2.624 645 Y HA 0.614 5.164 4.550 0.000 0.000 0.334 645 Y C -1.608 174.377 175.900 0.142 0.000 1.155 645 Y CA -0.892 57.202 58.100 -0.011 0.000 1.046 645 Y CB 1.158 39.495 38.460 -0.206 0.000 1.316 645 Y HN 0.644 nan 8.280 nan 0.000 0.457 646 I N 5.407 125.701 120.570 -0.459 0.000 2.406 646 I HA 0.384 4.555 4.170 0.000 0.000 0.290 646 I C -0.997 174.879 176.117 -0.401 0.000 0.999 646 I CA -0.760 60.371 61.300 -0.282 0.000 1.124 646 I CB 1.444 39.294 38.000 -0.251 0.000 1.289 646 I HN 0.333 nan 8.210 nan 0.000 0.441 647 I N 5.133 125.599 120.570 -0.173 0.000 2.371 647 I HA 0.235 4.405 4.170 0.000 0.000 0.282 647 I C 0.334 176.492 176.117 0.067 0.000 1.031 647 I CA 0.044 61.209 61.300 -0.225 0.000 1.180 647 I CB 1.032 38.701 38.000 -0.553 0.000 1.336 647 I HN 0.478 nan 8.210 nan 0.000 0.467 648 S N 5.443 121.164 115.700 0.036 0.000 2.616 648 S HA 0.382 4.852 4.470 0.000 0.000 0.277 648 S C 1.199 175.807 174.600 0.013 0.000 1.234 648 S CA -0.386 57.879 58.200 0.108 0.000 1.028 648 S CB 1.611 64.819 63.200 0.013 0.000 0.988 648 S HN 0.693 nan 8.310 nan 0.000 0.522 649 R N 1.826 122.258 120.500 -0.112 0.000 2.140 649 R HA 0.212 4.552 4.340 0.000 0.000 0.213 649 R C 0.861 176.969 176.300 -0.319 0.000 1.059 649 R CA 0.725 56.419 56.100 -0.676 0.000 1.000 649 R CB -0.200 29.679 30.300 -0.701 0.000 0.910 649 R HN 0.684 nan 8.270 nan 0.000 0.455 650 G N -1.285 107.485 108.800 -0.050 0.000 2.630 650 G HA2 0.609 4.569 3.960 0.000 0.000 0.296 650 G HA3 0.609 4.569 3.960 0.000 0.000 0.296 650 G C -1.012 173.998 174.900 0.184 0.000 1.285 650 G CA -0.209 44.953 45.100 0.103 0.000 0.958 650 G HN 0.360 nan 8.290 nan 0.000 0.479 651 G N -1.680 107.275 108.800 0.258 0.000 2.321 651 G HA2 0.520 4.481 3.960 0.000 0.000 0.296 651 G HA3 0.520 4.481 3.960 0.000 0.000 0.296 651 G C -2.292 172.591 174.900 -0.027 0.000 1.287 651 G CA -0.451 44.804 45.100 0.259 0.000 0.846 651 G HN 1.152 nan 8.290 nan 0.000 0.508 652 Y N -0.313 119.888 120.300 -0.166 0.000 2.634 652 Y HA 0.704 5.255 4.550 0.000 0.000 0.340 652 Y C 0.133 175.843 175.900 -0.317 0.000 1.058 652 Y CA -1.780 56.082 58.100 -0.396 0.000 1.081 652 Y CB 1.316 39.661 38.460 -0.191 0.000 1.295 652 Y HN 0.544 nan 8.280 nan 0.000 0.487 653 I N 3.283 123.214 120.570 -1.065 0.000 2.906 653 I HA 0.090 4.260 4.170 0.000 0.000 0.302 653 I C 1.296 177.151 176.117 -0.437 0.000 1.220 653 I CA 2.194 63.040 61.300 -0.756 0.000 1.441 653 I CB -0.340 37.077 38.000 -0.971 0.000 1.336 653 I HN 0.930 nan 8.210 nan 0.000 0.565 654 G N 5.329 113.981 108.800 -0.247 0.000 2.253 654 G HA2 -0.258 3.702 3.960 0.000 0.000 0.209 654 G HA3 -0.258 3.702 3.960 0.000 0.000 0.209 654 G C 1.074 175.875 174.900 -0.166 0.000 0.997 654 G CA 0.163 45.223 45.100 -0.065 0.000 0.640 654 G HN 0.581 nan 8.290 nan 0.000 0.496 655 N N 0.991 119.660 118.700 -0.052 0.000 2.430 655 N HA -0.145 4.595 4.740 0.000 0.000 0.186 655 N C 2.366 177.639 175.510 -0.396 0.000 1.032 655 N CA 1.562 54.498 53.050 -0.189 0.000 0.893 655 N CB -0.032 38.583 38.487 0.213 0.000 0.957 655 N HN 0.785 nan 8.380 nan 0.000 0.442 656 Q N -0.012 119.549 119.800 -0.398 0.000 2.364 656 Q HA -0.153 4.187 4.340 0.000 0.000 0.207 656 Q C 0.521 176.176 176.000 -0.575 0.000 0.970 656 Q CA 1.418 56.956 55.803 -0.442 0.000 0.888 656 Q CB -0.816 27.647 28.738 -0.459 0.000 0.951 656 Q HN 0.558 nan 8.270 nan 0.000 0.469 657 H N -1.001 117.703 119.070 -0.611 0.000 2.551 657 H HA 0.099 4.655 4.556 0.000 0.000 0.266 657 H C 0.413 175.463 175.328 -0.463 0.000 0.977 657 H CA 0.879 56.584 56.048 -0.572 0.000 1.163 657 H CB 0.194 29.571 29.762 -0.641 0.000 1.381 657 H HN 0.224 nan 8.280 nan 0.000 0.581 658 F N -1.395 118.448 119.950 -0.180 0.000 2.653 658 F HA 0.448 4.975 4.527 0.000 0.000 0.288 658 F C 1.506 177.085 175.800 -0.368 0.000 1.121 658 F CA 0.542 58.394 58.000 -0.248 0.000 1.384 658 F CB 0.356 39.182 39.000 -0.290 0.000 1.115 658 F HN 0.171 nan 8.300 nan 0.000 0.599 659 G N -0.812 107.802 108.800 -0.310 0.000 2.455 659 G HA2 0.410 4.370 3.960 0.000 0.000 0.223 659 G HA3 0.410 4.370 3.960 0.000 0.000 0.223 659 G C -0.573 174.064 174.900 -0.440 0.000 1.226 659 G CA -0.223 44.418 45.100 -0.766 0.000 0.948 659 G HN 0.408 nan 8.290 nan 0.000 0.478 660 G N -1.172 107.349 108.800 -0.464 0.000 3.107 660 G HA2 0.739 4.699 3.960 0.000 0.000 0.232 660 G HA3 0.739 4.699 3.960 0.000 0.000 0.232 660 G C -0.553 174.217 174.900 -0.217 0.000 1.339 660 G CA -0.670 44.322 45.100 -0.180 0.000 1.033 660 G HN 0.648 nan 8.290 nan 0.000 0.567 661 M N -0.619 118.865 119.600 -0.193 0.000 2.575 661 M HA 0.394 4.874 4.480 0.000 0.000 0.284 661 M C -1.827 174.441 176.300 -0.053 0.000 1.253 661 M CA -0.373 54.832 55.300 -0.158 0.000 0.861 661 M CB 2.541 34.993 32.600 -0.246 0.000 1.733 661 M HN 0.860 nan 8.290 nan 0.000 0.462 662 W N 0.427 121.589 121.300 -0.230 0.000 2.781 662 W HA 0.725 5.385 4.660 0.001 0.000 0.345 662 W C -1.318 175.135 176.519 -0.110 0.000 1.085 662 W CA -1.034 56.271 57.345 -0.066 0.000 1.198 662 W CB 0.692 30.157 29.460 0.010 0.000 1.423 662 W HN 0.268 nan 8.180 nan 0.000 0.532 663 V N 6.400 126.218 119.914 -0.160 0.000 2.052 663 V HA 0.316 4.436 4.120 0.000 0.000 0.281 663 V C 1.346 177.187 176.094 -0.420 0.000 1.668 663 V CA 0.726 62.854 62.300 -0.287 0.000 1.621 663 V CB -1.318 30.523 31.823 0.030 0.000 1.488 663 V HN 1.228 nan 8.190 nan 0.000 0.513 664 G N 2.797 110.777 108.800 -1.367 0.000 2.602 664 G HA2 -0.279 3.681 3.960 0.000 0.000 0.306 664 G HA3 -0.279 3.681 3.960 0.000 0.000 0.306 664 G C -0.172 174.679 174.900 -0.081 0.000 1.301 664 G CA 0.362 44.820 45.100 -1.069 0.000 0.974 664 G HN 0.576 nan 8.290 nan 0.000 0.547 665 D N 2.297 122.762 120.400 0.109 0.000 2.479 665 D HA 0.389 5.029 4.640 0.000 0.000 0.218 665 D C 0.919 177.229 176.300 0.016 0.000 1.131 665 D CA -0.196 53.855 54.000 0.085 0.000 0.916 665 D CB 0.247 41.091 40.800 0.074 0.000 1.022 665 D HN 0.599 nan 8.370 nan 0.000 0.515 666 N N 0.171 118.849 118.700 -0.037 0.000 2.431 666 N HA 0.322 5.062 4.740 0.000 0.000 0.289 666 N C -0.112 175.085 175.510 -0.523 0.000 1.277 666 N CA -0.531 52.239 53.050 -0.468 0.000 0.972 666 N CB 0.673 39.127 38.487 -0.055 0.000 1.143 666 N HN 0.115 nan 8.380 nan 0.000 0.578 667 S N -3.014 111.963 115.700 -1.205 0.000 2.811 667 S HA 0.552 5.022 4.470 0.000 0.000 0.311 667 S C -1.086 173.311 174.600 -0.339 0.000 1.152 667 S CA -0.715 57.041 58.200 -0.740 0.000 0.864 667 S CB 0.542 63.293 63.200 -0.749 0.000 1.226 667 S HN 0.548 nan 8.310 nan 0.000 0.541 668 T N 2.204 116.722 114.554 -0.059 0.000 3.471 668 T HA 0.502 4.852 4.350 0.000 0.000 0.355 668 T C -0.331 174.346 174.700 -0.039 0.000 1.775 668 T CA -0.327 61.777 62.100 0.006 0.000 1.305 668 T CB -0.588 68.210 68.868 -0.116 0.000 1.171 668 T HN 0.717 nan 8.240 nan 0.000 0.776 669 T N -2.222 112.446 114.554 0.190 0.000 2.841 669 T HA 0.439 4.789 4.350 0.000 0.000 0.296 669 T C 1.272 175.995 174.700 0.038 0.000 1.166 669 T CA -0.708 61.474 62.100 0.137 0.000 1.007 669 T CB 1.520 70.547 68.868 0.266 0.000 1.253 669 T HN -0.074 nan 8.240 nan 0.000 0.511 670 S N 0.787 116.469 115.700 -0.030 0.000 2.359 670 S HA -0.151 4.319 4.470 0.000 0.000 0.224 670 S C 1.876 176.298 174.600 -0.297 0.000 1.035 670 S CA 1.942 60.022 58.200 -0.201 0.000 1.018 670 S CB -0.852 62.255 63.200 -0.155 0.000 0.876 670 S HN 0.810 nan 8.310 nan 0.000 0.448 671 N N -0.194 118.395 118.700 -0.185 0.000 2.192 671 N HA -0.149 4.592 4.740 0.000 0.000 0.188 671 N C 1.367 176.637 175.510 -0.400 0.000 1.013 671 N CA 1.363 54.274 53.050 -0.232 0.000 0.863 671 N CB -0.229 38.184 38.487 -0.125 0.000 0.990 671 N HN 0.417 nan 8.380 nan 0.000 0.430 672 Y N 0.913 121.111 120.300 -0.171 0.000 2.314 672 Y HA 0.038 4.589 4.550 0.001 0.000 0.293 672 Y C 1.990 177.809 175.900 -0.135 0.000 1.129 672 Y CA 0.509 58.549 58.100 -0.099 0.000 1.201 672 Y CB -0.080 38.402 38.460 0.037 0.000 0.999 672 Y HN 0.070 nan 8.280 nan 0.000 0.541 673 I N -0.274 120.142 120.570 -0.257 0.000 2.226 673 I HA -0.350 3.821 4.170 0.000 0.000 0.245 673 I C 2.080 178.088 176.117 -0.182 0.000 1.100 673 I CA 1.495 62.548 61.300 -0.412 0.000 1.374 673 I CB -0.463 37.180 38.000 -0.596 0.000 1.057 673 I HN 0.276 nan 8.210 nan 0.000 0.413 674 Q N 0.218 119.899 119.800 -0.198 0.000 2.084 674 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 674 Q C 2.334 178.323 176.000 -0.019 0.000 0.978 674 Q CA 1.506 57.244 55.803 -0.108 0.000 0.844 674 Q CB -0.159 28.507 28.738 -0.119 0.000 0.898 674 Q HN 0.502 nan 8.270 nan 0.000 0.426 675 M N -0.011 119.551 119.600 -0.063 0.000 2.159 675 M HA -0.182 4.298 4.480 0.000 0.000 0.263 675 M C 2.368 178.718 176.300 0.085 0.000 1.063 675 M CA 1.284 56.580 55.300 -0.007 0.000 1.110 675 M CB -0.230 32.319 32.600 -0.085 0.000 1.374 675 M HN 0.359 nan 8.290 nan 0.000 0.411 676 M N 0.664 120.336 119.600 0.120 0.000 2.080 676 M HA -0.238 4.243 4.480 0.000 0.000 0.260 676 M C 1.911 178.251 176.300 0.068 0.000 1.068 676 M CA 1.913 57.306 55.300 0.156 0.000 1.109 676 M CB -0.184 32.547 32.600 0.218 0.000 1.342 676 M HN 0.195 nan 8.290 nan 0.000 0.405 677 I N 0.505 121.087 120.570 0.021 0.000 2.179 677 I HA -0.239 3.931 4.170 0.000 0.000 0.242 677 I C 2.710 178.800 176.117 -0.046 0.000 1.088 677 I CA 1.313 62.578 61.300 -0.057 0.000 1.357 677 I CB -0.708 37.295 38.000 0.005 0.000 1.051 677 I HN 0.427 nan 8.210 nan 0.000 0.409 678 A N 0.862 123.697 122.820 0.026 0.000 1.898 678 A HA -0.196 4.124 4.320 0.000 0.000 0.216 678 A C 2.063 179.671 177.584 0.040 0.000 1.181 678 A CA 1.793 53.862 52.037 0.053 0.000 0.620 678 A CB -0.653 18.402 19.000 0.093 0.000 0.819 678 A HN 0.397 nan 8.150 nan 0.000 0.442 679 N N 0.657 119.379 118.700 0.037 0.000 2.069 679 N HA -0.163 4.577 4.740 0.000 0.000 0.191 679 N C 1.679 177.192 175.510 0.005 0.000 1.031 679 N CA 1.340 54.404 53.050 0.024 0.000 0.852 679 N CB -0.652 37.853 38.487 0.029 0.000 1.018 679 N HN 0.543 nan 8.380 nan 0.000 0.423 680 N N 1.062 119.756 118.700 -0.010 0.000 2.069 680 N HA -0.074 4.666 4.740 0.000 0.000 0.191 680 N C 1.815 177.291 175.510 -0.057 0.000 1.031 680 N CA 0.867 53.893 53.050 -0.041 0.000 0.852 680 N CB -0.098 38.338 38.487 -0.086 0.000 1.018 680 N HN 0.237 nan 8.380 nan 0.000 0.423 681 I N 1.140 121.669 120.570 -0.068 0.000 2.226 681 I HA -0.238 3.932 4.170 0.000 0.000 0.245 681 I C 1.717 177.856 176.117 0.038 0.000 1.100 681 I CA 0.882 62.169 61.300 -0.023 0.000 1.374 681 I CB -0.284 37.721 38.000 0.008 0.000 1.057 681 I HN 0.092 nan 8.210 nan 0.000 0.413 682 N N 0.176 118.910 118.700 0.058 0.000 2.270 682 N HA -0.073 4.667 4.740 0.000 0.000 0.181 682 N C 1.809 177.378 175.510 0.099 0.000 1.016 682 N CA 1.116 54.227 53.050 0.101 0.000 0.870 682 N CB -0.131 38.419 38.487 0.105 0.000 0.979 682 N HN 0.222 nan 8.380 nan 0.000 0.431 683 M N 0.711 120.332 119.600 0.036 0.000 2.156 683 M HA -0.010 4.470 4.480 0.000 0.000 0.264 683 M C 1.580 177.869 176.300 -0.019 0.000 1.067 683 M CA 0.809 56.097 55.300 -0.020 0.000 1.131 683 M CB -1.033 31.497 32.600 -0.117 0.000 1.368 683 M HN 0.185 nan 8.290 nan 0.000 0.416 684 N N 0.901 119.594 118.700 -0.012 0.000 2.149 684 N HA -0.165 4.575 4.740 0.000 0.000 0.188 684 N C 1.663 177.190 175.510 0.028 0.000 1.019 684 N CA 1.797 54.838 53.050 -0.014 0.000 0.857 684 N CB -0.185 38.291 38.487 -0.017 0.000 0.997 684 N HN 0.511 nan 8.380 nan 0.000 0.426 685 M N -1.175 118.482 119.600 0.095 0.000 2.556 685 M HA 0.196 4.676 4.480 0.000 0.000 0.245 685 M C 0.735 177.251 176.300 0.361 0.000 1.128 685 M CA 0.868 56.280 55.300 0.187 0.000 1.069 685 M CB 0.411 33.114 32.600 0.172 0.000 1.469 685 M HN -0.218 nan 8.290 nan 0.000 0.494 686 S N 0.151 116.005 115.700 0.257 0.000 2.660 686 S HA 0.164 4.635 4.470 0.000 0.000 0.227 686 S C 0.556 175.110 174.600 -0.078 0.000 0.948 686 S CA -0.022 58.298 58.200 0.201 0.000 0.948 686 S CB -0.748 62.626 63.200 0.291 0.000 0.779 686 S HN 0.750 nan 8.310 nan 0.000 0.487 687 C N 1.458 120.703 119.300 -0.091 0.000 4.497 687 C HA -0.110 4.350 4.460 0.000 0.000 0.292 687 C C 0.012 174.869 174.990 -0.222 0.000 1.366 687 C CA -0.185 58.701 59.018 -0.220 0.000 1.987 687 C CB -2.286 25.192 27.740 -0.436 0.000 1.241 687 C HN 0.571 nan 8.230 nan 0.000 0.788 688 L N 2.171 123.294 121.223 -0.166 0.000 2.433 688 L HA 0.359 4.699 4.340 0.000 0.000 0.256 688 L C -1.125 175.652 176.870 -0.155 0.000 1.063 688 L CA -1.205 53.510 54.840 -0.208 0.000 0.922 688 L CB 1.376 43.231 42.059 -0.340 0.000 1.238 688 L HN -0.010 nan 8.230 nan 0.000 0.466 689 P HA -0.036 nan 4.420 nan 0.000 0.217 689 P C 0.772 178.071 177.300 -0.002 0.000 1.153 689 P CA 0.348 63.411 63.100 -0.062 0.000 0.843 689 P CB 1.050 32.706 31.700 -0.074 0.000 0.794 690 L N 1.301 122.526 121.223 0.003 0.000 2.395 690 L HA 0.279 4.619 4.340 0.000 0.000 0.268 690 L C -0.314 176.592 176.870 0.060 0.000 1.223 690 L CA -0.347 54.537 54.840 0.073 0.000 1.093 690 L CB -0.045 42.049 42.059 0.058 0.000 1.349 690 L HN -0.197 nan 8.230 nan 0.000 0.427 691 V N 3.154 123.138 119.914 0.117 0.000 3.007 691 V HA 1.001 5.121 4.120 0.000 0.000 0.311 691 V C -0.154 176.117 176.094 0.294 0.000 1.120 691 V CA 0.060 62.433 62.300 0.121 0.000 0.980 691 V CB 2.211 34.029 31.823 -0.009 0.000 1.033 691 V HN 0.596 nan 8.190 nan 0.000 0.429 692 G N 2.367 111.408 108.800 0.402 0.000 2.608 692 G HA2 0.641 4.601 3.960 0.000 0.000 0.291 692 G HA3 0.641 4.601 3.960 0.000 0.000 0.291 692 G C -1.513 173.657 174.900 0.449 0.000 1.425 692 G CA -0.305 45.065 45.100 0.450 0.000 0.787 692 G HN 0.911 nan 8.290 nan 0.000 0.484 693 S N -0.240 115.691 115.700 0.386 0.000 2.568 693 S HA 0.525 4.996 4.470 0.000 0.000 0.293 693 S C -1.239 173.559 174.600 0.331 0.000 1.089 693 S CA -0.721 57.714 58.200 0.393 0.000 0.945 693 S CB 1.798 65.227 63.200 0.382 0.000 1.077 693 S HN 0.539 nan 8.310 nan 0.000 0.485 694 D N 2.344 122.942 120.400 0.329 0.000 2.502 694 D HA 0.058 4.698 4.640 0.000 0.000 0.249 694 D C 0.105 176.407 176.300 0.004 0.000 1.188 694 D CA 0.313 54.433 54.000 0.200 0.000 0.890 694 D CB 0.100 41.077 40.800 0.294 0.000 1.140 694 D HN 0.258 nan 8.370 nan 0.000 0.505 695 I N 2.002 122.538 120.570 -0.058 0.000 2.587 695 I HA 0.131 4.301 4.170 0.000 0.000 0.284 695 I C 1.795 177.631 176.117 -0.468 0.000 1.134 695 I CA 0.505 61.674 61.300 -0.219 0.000 1.410 695 I CB 0.105 38.078 38.000 -0.044 0.000 1.392 695 I HN 0.703 nan 8.210 nan 0.000 0.545 696 G N 4.531 112.603 108.800 -1.213 0.000 2.234 696 G HA2 -0.072 3.888 3.960 0.000 0.000 0.235 696 G HA3 -0.072 3.888 3.960 0.000 0.000 0.235 696 G C 0.636 175.114 174.900 -0.703 0.000 0.997 696 G CA 0.208 44.798 45.100 -0.849 0.000 0.623 696 G HN 1.648 nan 8.290 nan 0.000 0.514 697 G N -1.533 106.881 108.800 -0.644 0.000 2.767 697 G HA2 0.159 4.119 3.960 0.000 0.000 0.686 697 G HA3 0.159 4.119 3.960 0.000 0.000 0.686 697 G C 0.176 175.075 174.900 -0.003 0.000 1.213 697 G CA 0.140 45.133 45.100 -0.177 0.000 0.803 697 G HN 1.461 nan 8.290 nan 0.000 0.603 698 F N 2.076 121.994 119.950 -0.053 0.000 2.094 698 F HA 0.214 4.741 4.527 0.000 0.000 0.291 698 F C 2.223 178.060 175.800 0.062 0.000 1.109 698 F CA 2.250 60.260 58.000 0.016 0.000 1.221 698 F CB -0.206 38.824 39.000 0.051 0.000 1.014 698 F HN 0.952 nan 8.300 nan 0.000 0.473 699 T N -0.887 113.714 114.554 0.078 0.000 2.902 699 T HA 0.373 4.723 4.350 0.000 0.000 0.280 699 T C 0.387 175.126 174.700 0.065 0.000 0.992 699 T CA -0.664 61.462 62.100 0.043 0.000 1.015 699 T CB 1.033 69.988 68.868 0.145 0.000 1.044 699 T HN 0.146 nan 8.240 nan 0.000 0.520 700 S N 0.925 116.677 115.700 0.087 0.000 2.559 700 S HA 0.152 4.622 4.470 0.000 0.000 0.282 700 S C 0.279 174.968 174.600 0.148 0.000 1.336 700 S CA 0.012 58.270 58.200 0.096 0.000 1.037 700 S CB -0.222 63.008 63.200 0.050 0.000 0.853 700 S HN 0.967 nan 8.310 nan 0.000 0.523 701 Y N -0.995 119.325 120.300 0.032 0.000 2.476 701 Y HA 0.436 4.986 4.550 0.000 0.000 0.274 701 Y C 0.154 176.091 175.900 0.062 0.000 1.120 701 Y CA -0.640 57.494 58.100 0.056 0.000 1.214 701 Y CB 0.011 38.512 38.460 0.068 0.000 1.285 701 Y HN 0.474 nan 8.280 nan 0.000 0.520 702 D N 2.247 122.187 120.400 -0.767 0.000 2.344 702 D HA 0.052 4.692 4.640 0.000 0.000 0.253 702 D C 0.278 176.460 176.300 -0.197 0.000 1.255 702 D CA 0.220 53.911 54.000 -0.515 0.000 0.894 702 D CB 0.554 40.953 40.800 -0.667 0.000 1.067 702 D HN 0.290 nan 8.370 nan 0.000 0.492 703 N N 3.068 121.725 118.700 -0.072 0.000 2.309 703 N HA -0.118 4.623 4.740 0.000 0.000 0.182 703 N C 1.005 176.495 175.510 -0.034 0.000 1.018 703 N CA 0.758 53.794 53.050 -0.023 0.000 0.876 703 N CB 0.229 38.727 38.487 0.020 0.000 0.972 703 N HN 0.648 nan 8.380 nan 0.000 0.434 704 E N -0.460 119.709 120.200 -0.051 0.000 2.250 704 E HA 0.042 4.392 4.350 0.000 0.000 0.192 704 E C 0.010 176.569 176.600 -0.068 0.000 0.986 704 E CA 0.278 56.651 56.400 -0.045 0.000 0.849 704 E CB 0.233 29.914 29.700 -0.032 0.000 0.797 704 E HN 0.100 nan 8.360 nan 0.000 0.482 705 N N 0.696 119.331 118.700 -0.109 0.000 2.629 705 N HA -0.029 4.711 4.740 0.000 0.000 0.277 705 N C 0.285 175.691 175.510 -0.174 0.000 1.188 705 N CA -0.041 52.931 53.050 -0.130 0.000 0.835 705 N CB 1.174 39.579 38.487 -0.136 0.000 1.420 705 N HN 0.005 nan 8.380 nan 0.000 0.542 706 Q N 1.974 121.701 119.800 -0.122 0.000 2.297 706 Q HA -0.083 4.257 4.340 0.000 0.000 0.208 706 Q C 0.471 176.398 176.000 -0.122 0.000 0.981 706 Q CA 1.216 56.959 55.803 -0.101 0.000 0.876 706 Q CB 0.066 28.816 28.738 0.022 0.000 0.921 706 Q HN 0.447 nan 8.270 nan 0.000 0.446 707 R N 0.570 120.966 120.500 -0.173 0.000 2.275 707 R HA 0.076 4.417 4.340 0.000 0.000 0.199 707 R C 0.148 176.325 176.300 -0.205 0.000 0.989 707 R CA 0.615 56.597 56.100 -0.196 0.000 1.016 707 R CB 0.109 30.183 30.300 -0.375 0.000 0.918 707 R HN 0.172 nan 8.270 nan 0.000 0.473 708 T N 3.951 118.367 114.554 -0.230 0.000 2.792 708 T HA 0.060 4.410 4.350 0.000 0.000 0.286 708 T C -2.290 172.331 174.700 -0.131 0.000 0.970 708 T CA -0.824 61.152 62.100 -0.206 0.000 1.187 708 T CB 0.728 69.455 68.868 -0.234 0.000 0.915 708 T HN -0.013 nan 8.240 nan 0.000 0.529 709 P HA 0.132 nan 4.420 nan 0.000 0.272 709 P C 0.348 177.733 177.300 0.142 0.000 1.230 709 P CA -0.879 62.097 63.100 -0.206 0.000 0.788 709 P CB 0.385 31.602 31.700 -0.806 0.000 0.949 710 C N 2.707 122.084 119.300 0.128 0.000 2.431 710 C HA 0.084 4.544 4.460 0.000 0.000 0.397 710 C C 1.198 176.272 174.990 0.141 0.000 1.436 710 C CA 0.575 59.617 59.018 0.040 0.000 1.596 710 C CB -1.563 26.152 27.740 -0.040 0.000 2.550 710 C HN 0.779 nan 8.230 nan 0.000 0.596 711 T N 3.529 118.122 114.554 0.065 0.000 2.813 711 T HA 0.376 4.727 4.350 0.000 0.000 0.297 711 T C 1.374 176.109 174.700 0.059 0.000 1.036 711 T CA 0.050 62.228 62.100 0.130 0.000 1.044 711 T CB 1.202 70.120 68.868 0.084 0.000 0.993 711 T HN 1.015 nan 8.240 nan 0.000 0.535 712 G N 0.357 109.234 108.800 0.128 0.000 2.418 712 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 712 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 712 G C 1.161 176.009 174.900 -0.087 0.000 1.158 712 G CA 1.047 46.139 45.100 -0.013 0.000 0.771 712 G HN 0.913 nan 8.290 nan 0.000 0.545 713 D N -0.347 120.046 120.400 -0.012 0.000 2.117 713 D HA -0.084 4.557 4.640 0.000 0.000 0.197 713 D C 2.322 178.602 176.300 -0.033 0.000 0.987 713 D CA 0.676 54.668 54.000 -0.014 0.000 0.829 713 D CB -0.181 40.632 40.800 0.021 0.000 0.961 713 D HN 0.184 nan 8.370 nan 0.000 0.460 714 L N -0.159 121.046 121.223 -0.030 0.000 2.093 714 L HA -0.002 4.338 4.340 0.000 0.000 0.208 714 L C 2.120 179.002 176.870 0.020 0.000 1.085 714 L CA 1.274 56.106 54.840 -0.013 0.000 0.755 714 L CB -0.498 41.547 42.059 -0.023 0.000 0.904 714 L HN 0.158 nan 8.230 nan 0.000 0.435 715 M N -1.424 118.122 119.600 -0.091 0.000 2.117 715 M HA -0.141 4.339 4.480 0.000 0.000 0.262 715 M C 2.041 178.290 176.300 -0.084 0.000 1.065 715 M CA 1.876 57.088 55.300 -0.147 0.000 1.114 715 M CB -0.577 31.700 32.600 -0.539 0.000 1.361 715 M HN 0.068 nan 8.290 nan 0.000 0.408 716 V N 0.732 120.573 119.914 -0.122 0.000 2.287 716 V HA -0.296 3.824 4.120 0.000 0.000 0.248 716 V C 2.610 178.635 176.094 -0.115 0.000 1.053 716 V CA 1.863 64.096 62.300 -0.112 0.000 1.027 716 V CB -0.853 30.909 31.823 -0.102 0.000 0.646 716 V HN 0.424 nan 8.190 nan 0.000 0.447 717 R N -1.313 119.144 120.500 -0.073 0.000 2.115 717 R HA -0.114 4.227 4.340 0.000 0.000 0.230 717 R C 2.084 178.371 176.300 -0.022 0.000 1.111 717 R CA 1.288 57.341 56.100 -0.077 0.000 0.976 717 R CB -1.017 29.239 30.300 -0.072 0.000 0.870 717 R HN 0.533 nan 8.270 nan 0.000 0.445 718 Y N 0.850 121.125 120.300 -0.043 0.000 2.145 718 Y HA -0.160 4.390 4.550 0.001 0.000 0.286 718 Y C 2.467 178.415 175.900 0.080 0.000 1.145 718 Y CA 0.961 59.072 58.100 0.018 0.000 1.148 718 Y CB -0.371 38.092 38.460 0.005 0.000 0.981 718 Y HN -0.256 nan 8.280 nan 0.000 0.507 719 V N -0.277 119.782 119.914 0.242 0.000 2.358 719 V HA -0.314 3.806 4.120 0.000 0.000 0.246 719 V C 2.098 178.276 176.094 0.140 0.000 1.047 719 V CA 2.054 64.512 62.300 0.262 0.000 1.035 719 V CB -0.527 31.389 31.823 0.154 0.000 0.658 719 V HN 0.412 nan 8.190 nan 0.000 0.452 720 Q N -0.405 119.330 119.800 -0.108 0.000 2.119 720 Q HA -0.120 4.220 4.340 0.000 0.000 0.201 720 Q C 2.353 178.361 176.000 0.013 0.000 0.972 720 Q CA 1.683 57.317 55.803 -0.283 0.000 0.847 720 Q CB -0.353 28.057 28.738 -0.547 0.000 0.903 720 Q HN 0.671 nan 8.270 nan 0.000 0.433 721 A N 0.215 123.082 122.820 0.079 0.000 2.014 721 A HA -0.023 4.297 4.320 0.000 0.000 0.218 721 A C 2.037 179.774 177.584 0.254 0.000 1.163 721 A CA 1.443 53.584 52.037 0.173 0.000 0.652 721 A CB -0.454 18.608 19.000 0.103 0.000 0.808 721 A HN 0.449 nan 8.150 nan 0.000 0.449 722 G N -1.094 107.876 108.800 0.282 0.000 2.986 722 G HA2 0.008 3.968 3.960 0.000 0.000 0.213 722 G HA3 0.008 3.968 3.960 0.000 0.000 0.213 722 G C 1.410 176.387 174.900 0.130 0.000 1.156 722 G CA 0.860 46.160 45.100 0.333 0.000 0.763 722 G HN 0.848 nan 8.290 nan 0.000 0.547 723 C N -0.589 118.706 119.300 -0.008 0.000 2.437 723 C HA 0.305 4.765 4.460 0.000 0.000 0.283 723 C C 1.843 176.742 174.990 -0.152 0.000 1.424 723 C CA 0.131 58.924 59.018 -0.375 0.000 1.782 723 C CB -0.989 26.774 27.740 0.038 0.000 1.833 723 C HN 0.238 nan 8.230 nan 0.000 0.532 724 L N -0.053 121.233 121.223 0.106 0.000 3.184 724 L HA 0.404 4.745 4.340 0.000 0.000 0.283 724 L C 0.277 177.265 176.870 0.196 0.000 1.218 724 L CA -0.217 54.731 54.840 0.180 0.000 1.028 724 L CB -0.065 42.185 42.059 0.319 0.000 1.400 724 L HN 0.237 nan 8.230 nan 0.000 0.591 725 L N 0.740 122.070 121.223 0.180 0.000 2.418 725 L HA 0.204 4.545 4.340 0.000 0.000 0.265 725 L C -1.176 175.848 176.870 0.257 0.000 1.143 725 L CA -1.562 53.384 54.840 0.177 0.000 0.809 725 L CB 0.614 42.767 42.059 0.155 0.000 1.124 725 L HN -0.190 nan 8.230 nan 0.000 0.456 726 P HA -0.161 nan 4.420 nan 0.000 0.216 726 P C -0.421 177.206 177.300 0.545 0.000 1.150 726 P CA 1.176 64.548 63.100 0.453 0.000 0.837 726 P CB 0.167 32.085 31.700 0.364 0.000 0.786 727 W N 0.397 121.850 121.300 0.255 0.000 2.361 727 W HA 0.450 5.110 4.660 0.000 0.000 0.314 727 W C -1.841 174.910 176.519 0.387 0.000 1.041 727 W CA -0.938 56.551 57.345 0.240 0.000 1.241 727 W CB 0.903 30.453 29.460 0.149 0.000 1.279 727 W HN -0.253 nan 8.180 nan 0.000 0.436 728 F N 8.237 127.977 119.950 -0.350 0.000 2.552 728 F HA 0.446 4.973 4.527 0.001 0.000 0.369 728 F C -0.962 174.686 175.800 -0.252 0.000 1.112 728 F CA -0.961 56.962 58.000 -0.127 0.000 1.129 728 F CB 0.387 39.493 39.000 0.177 0.000 1.360 728 F HN 0.453 nan 8.300 nan 0.000 0.473 729 R N 4.487 124.629 120.500 -0.597 0.000 2.533 729 R HA 0.296 4.636 4.340 0.000 0.000 0.288 729 R C -1.430 174.706 176.300 -0.273 0.000 1.039 729 R CA -0.651 55.108 56.100 -0.569 0.000 0.909 729 R CB 1.140 30.991 30.300 -0.749 0.000 1.195 729 R HN 0.523 nan 8.270 nan 0.000 0.438 730 N N 3.032 121.630 118.700 -0.170 0.000 2.411 730 N HA 0.054 4.795 4.740 0.000 0.000 0.259 730 N C -1.587 174.016 175.510 0.155 0.000 1.103 730 N CA 0.326 53.397 53.050 0.035 0.000 0.954 730 N CB 0.636 39.236 38.487 0.189 0.000 1.085 730 N HN 0.646 nan 8.380 nan 0.000 0.485 731 H N 2.992 122.119 119.070 0.096 0.000 2.947 731 H HA 0.430 4.986 4.556 0.000 0.000 0.354 731 H C -1.503 174.058 175.328 0.389 0.000 1.085 731 H CA -0.616 55.549 56.048 0.194 0.000 1.253 731 H CB 0.578 30.346 29.762 0.010 0.000 1.757 731 H HN 0.526 nan 8.280 nan 0.000 0.523 732 Y N 1.000 121.074 120.300 -0.376 0.000 2.638 732 Y HA 0.416 4.966 4.550 0.000 0.000 0.335 732 Y C -1.506 173.921 175.900 -0.788 0.000 1.155 732 Y CA -1.333 56.441 58.100 -0.544 0.000 1.046 732 Y CB 1.142 39.441 38.460 -0.270 0.000 1.303 732 Y HN 0.525 nan 8.280 nan 0.000 0.460 733 D N 2.138 121.869 120.400 -1.114 0.000 2.339 733 D HA 0.195 4.835 4.640 0.000 0.000 0.241 733 D C -0.788 175.303 176.300 -0.348 0.000 1.183 733 D CA -0.207 53.370 54.000 -0.706 0.000 0.859 733 D CB 0.667 41.129 40.800 -0.564 0.000 1.067 733 D HN 0.685 nan 8.370 nan 0.000 0.484 734 R N 4.342 124.573 120.500 -0.448 0.000 2.255 734 R HA 0.203 4.543 4.340 0.000 0.000 0.326 734 R C -0.752 175.470 176.300 -0.129 0.000 0.986 734 R CA -0.882 55.096 56.100 -0.203 0.000 0.847 734 R CB 0.462 30.582 30.300 -0.300 0.000 1.111 734 R HN 0.517 nan 8.270 nan 0.000 0.452 735 W N 8.045 129.261 121.300 -0.141 0.000 2.505 735 W HA 0.123 4.783 4.660 0.000 0.000 0.332 735 W C -0.320 176.117 176.519 -0.137 0.000 1.434 735 W CA 0.074 57.328 57.345 -0.152 0.000 1.320 735 W CB 0.253 29.663 29.460 -0.083 0.000 1.363 735 W HN 0.527 nan 8.180 nan 0.000 0.565 736 I N 2.015 122.252 120.570 -0.555 0.000 2.934 736 I HA 0.359 4.529 4.170 0.000 0.000 0.306 736 I C 1.031 176.549 176.117 -0.998 0.000 1.110 736 I CA -1.032 59.988 61.300 -0.467 0.000 1.019 736 I CB 2.078 39.906 38.000 -0.286 0.000 1.227 736 I HN 0.503 nan 8.210 nan 0.000 0.434 737 E N 1.801 121.658 120.200 -0.572 0.000 2.086 737 E HA -0.260 4.090 4.350 0.000 0.000 0.200 737 E C 1.703 178.035 176.600 -0.446 0.000 1.012 737 E CA 2.584 58.702 56.400 -0.471 0.000 0.812 737 E CB 0.122 29.757 29.700 -0.108 0.000 0.743 737 E HN 0.837 nan 8.360 nan 0.000 0.453 738 S N -0.788 114.700 115.700 -0.353 0.000 2.593 738 S HA 0.033 4.503 4.470 0.000 0.000 0.217 738 S C 0.854 175.264 174.600 -0.316 0.000 0.966 738 S CA -0.022 58.019 58.200 -0.265 0.000 0.914 738 S CB 0.318 63.409 63.200 -0.183 0.000 0.776 738 S HN 0.084 nan 8.310 nan 0.000 0.523 739 K N 2.205 122.308 120.400 -0.495 0.000 2.895 739 K HA 0.092 4.412 4.320 0.000 0.000 0.191 739 K C -1.282 174.824 176.600 -0.822 0.000 1.117 739 K CA -0.162 55.801 56.287 -0.540 0.000 0.988 739 K CB 0.407 32.549 32.500 -0.596 0.000 1.181 739 K HN 0.222 nan 8.250 nan 0.000 0.598 740 D N 2.742 122.721 120.400 -0.700 0.000 2.977 740 D HA -0.017 4.623 4.640 0.000 0.000 0.241 740 D C -0.388 175.702 176.300 -0.350 0.000 1.206 740 D CA 0.096 53.508 54.000 -0.980 0.000 0.902 740 D CB -0.460 40.093 40.800 -0.411 0.000 1.131 740 D HN 0.565 nan 8.370 nan 0.000 0.447 741 H N -3.065 115.847 119.070 -0.264 0.000 2.930 741 H HA 0.750 5.307 4.556 0.001 0.000 0.371 741 H C 0.373 175.764 175.328 0.106 0.000 1.169 741 H CA -0.630 55.475 56.048 0.095 0.000 1.157 741 H CB 1.854 31.666 29.762 0.083 0.000 1.789 741 H HN 0.209 nan 8.280 nan 0.000 0.547 742 G N 0.805 109.783 108.800 0.298 0.000 2.331 742 G HA2 0.057 4.017 3.960 0.000 0.000 0.479 742 G HA3 0.057 4.017 3.960 0.000 0.000 0.479 742 G C -1.532 173.483 174.900 0.192 0.000 1.262 742 G CA -0.948 44.255 45.100 0.171 0.000 1.029 742 G HN 0.726 nan 8.290 nan 0.000 0.487 743 K N -0.430 120.064 120.400 0.157 0.000 2.185 743 K HA 0.520 4.840 4.320 0.000 0.000 0.240 743 K C 0.391 177.065 176.600 0.123 0.000 0.983 743 K CA -0.802 55.536 56.287 0.085 0.000 0.873 743 K CB 1.492 34.010 32.500 0.031 0.000 1.118 743 K HN 0.353 nan 8.250 nan 0.000 0.441 744 D N 0.109 120.476 120.400 -0.054 0.000 2.117 744 D HA -0.071 4.569 4.640 0.000 0.000 0.198 744 D C 0.107 176.496 176.300 0.150 0.000 0.982 744 D CA 1.731 55.737 54.000 0.009 0.000 0.828 744 D CB 0.080 40.820 40.800 -0.101 0.000 0.967 744 D HN 0.466 nan 8.370 nan 0.000 0.464 745 Y N -3.291 117.008 120.300 -0.002 0.000 2.750 745 Y HA 0.501 5.052 4.550 0.000 0.000 0.335 745 Y C 0.026 175.609 175.900 -0.527 0.000 1.252 745 Y CA -0.924 57.090 58.100 -0.144 0.000 1.064 745 Y CB 1.054 39.398 38.460 -0.194 0.000 1.321 745 Y HN -0.246 nan 8.280 nan 0.000 0.451 746 Q N -0.578 118.953 119.800 -0.448 0.000 1.719 746 Q HA 0.225 4.565 4.340 0.000 0.000 0.171 746 Q C -1.150 174.779 176.000 -0.118 0.000 0.727 746 Q CA -0.059 55.472 55.803 -0.453 0.000 0.786 746 Q CB 0.548 28.578 28.738 -1.180 0.000 1.209 746 Q HN 0.791 nan 8.270 nan 0.000 0.383 747 E N 0.948 121.016 120.200 -0.221 0.000 2.415 747 E HA -0.008 4.342 4.350 0.000 0.000 0.262 747 E C 0.810 177.211 176.600 -0.332 0.000 1.038 747 E CA 0.202 56.420 56.400 -0.304 0.000 0.921 747 E CB 0.580 29.792 29.700 -0.813 0.000 0.950 747 E HN 0.274 nan 8.360 nan 0.000 0.438 748 L N 1.805 122.930 121.223 -0.164 0.000 2.131 748 L HA -0.205 4.135 4.340 0.000 0.000 0.210 748 L C 1.908 178.698 176.870 -0.134 0.000 1.092 748 L CA 1.230 56.033 54.840 -0.063 0.000 0.759 748 L CB -0.637 41.358 42.059 -0.105 0.000 0.903 748 L HN 0.748 nan 8.230 nan 0.000 0.435 749 Y N -3.119 116.904 120.300 -0.462 0.000 2.583 749 Y HA 0.066 4.616 4.550 0.001 0.000 0.293 749 Y C 2.122 177.904 175.900 -0.196 0.000 1.157 749 Y CA 0.076 58.019 58.100 -0.262 0.000 1.315 749 Y CB -0.367 37.819 38.460 -0.455 0.000 1.021 749 Y HN 0.030 nan 8.280 nan 0.000 0.536 750 M N 0.096 119.323 119.600 -0.621 0.000 2.563 750 M HA 0.101 4.581 4.480 0.000 0.000 0.231 750 M C -1.038 174.842 176.300 -0.701 0.000 1.136 750 M CA 0.241 55.102 55.300 -0.732 0.000 1.026 750 M CB -0.953 30.979 32.600 -1.114 0.000 1.597 750 M HN 0.362 nan 8.290 nan 0.000 0.495 751 Y N 0.271 120.500 120.300 -0.118 0.000 2.915 751 Y HA 0.278 4.828 4.550 0.001 0.000 0.350 751 Y C -1.581 174.335 175.900 0.026 0.000 1.061 751 Y CA -2.073 56.019 58.100 -0.014 0.000 1.179 751 Y CB 0.095 38.572 38.460 0.028 0.000 1.180 751 Y HN 0.089 nan 8.280 nan 0.000 0.605 752 P HA -0.220 nan 4.420 nan 0.000 0.215 752 P C 0.460 177.820 177.300 0.099 0.000 1.163 752 P CA 1.835 64.981 63.100 0.077 0.000 0.894 752 P CB 0.408 32.124 31.700 0.027 0.000 0.791 753 N N -0.595 118.167 118.700 0.104 0.000 2.309 753 N HA -0.133 4.607 4.740 0.000 0.000 0.182 753 N C 1.185 176.754 175.510 0.098 0.000 1.018 753 N CA 0.741 53.844 53.050 0.089 0.000 0.876 753 N CB -0.283 38.254 38.487 0.083 0.000 0.972 753 N HN 0.250 nan 8.380 nan 0.000 0.434 754 E N -0.110 120.172 120.200 0.136 0.000 2.481 754 E HA 0.139 4.489 4.350 0.000 0.000 0.198 754 E C 1.340 178.026 176.600 0.144 0.000 1.027 754 E CA -0.144 56.324 56.400 0.115 0.000 0.900 754 E CB 0.135 29.883 29.700 0.080 0.000 0.993 754 E HN 0.313 nan 8.360 nan 0.000 0.482 755 M N 0.724 120.427 119.600 0.172 0.000 2.108 755 M HA -0.211 4.269 4.480 0.000 0.000 0.261 755 M C 0.704 177.075 176.300 0.118 0.000 1.066 755 M CA 1.629 57.065 55.300 0.226 0.000 1.107 755 M CB 0.136 32.871 32.600 0.226 0.000 1.356 755 M HN 0.014 nan 8.290 nan 0.000 0.406 756 D N -0.287 120.148 120.400 0.058 0.000 2.104 756 D HA -0.148 4.492 4.640 0.000 0.000 0.194 756 D C 1.875 178.195 176.300 0.033 0.000 0.994 756 D CA 1.975 55.978 54.000 0.005 0.000 0.830 756 D CB -0.611 40.191 40.800 0.004 0.000 0.959 756 D HN 0.386 nan 8.370 nan 0.000 0.452 757 T N 1.410 116.017 114.554 0.087 0.000 2.708 757 T HA -0.078 4.272 4.350 0.000 0.000 0.266 757 T C 2.275 177.120 174.700 0.242 0.000 1.037 757 T CA 0.595 62.793 62.100 0.163 0.000 1.146 757 T CB -0.331 68.617 68.868 0.134 0.000 0.865 757 T HN 0.106 nan 8.240 nan 0.000 0.435 758 L N 0.474 121.817 121.223 0.199 0.000 1.989 758 L HA -0.130 4.210 4.340 0.000 0.000 0.211 758 L C 2.885 179.931 176.870 0.294 0.000 1.071 758 L CA 1.587 56.590 54.840 0.272 0.000 0.749 758 L CB -0.555 41.707 42.059 0.338 0.000 0.890 758 L HN 0.160 nan 8.230 nan 0.000 0.431 759 R N 1.160 121.699 120.500 0.065 0.000 2.083 759 R HA -0.221 4.119 4.340 0.000 0.000 0.237 759 R C 2.411 178.673 176.300 -0.063 0.000 1.137 759 R CA 2.083 58.008 56.100 -0.291 0.000 0.951 759 R CB -0.142 29.713 30.300 -0.743 0.000 0.851 759 R HN 0.446 nan 8.270 nan 0.000 0.434 760 K N -1.033 119.359 120.400 -0.013 0.000 2.148 760 K HA -0.119 4.201 4.320 0.000 0.000 0.204 760 K C 1.755 178.328 176.600 -0.045 0.000 1.050 760 K CA 1.392 57.648 56.287 -0.051 0.000 0.942 760 K CB -0.323 32.110 32.500 -0.112 0.000 0.724 760 K HN 0.130 nan 8.250 nan 0.000 0.446 761 F N 1.704 121.676 119.950 0.036 0.000 2.234 761 F HA -0.099 4.428 4.527 0.000 0.000 0.299 761 F C 2.216 178.117 175.800 0.167 0.000 1.087 761 F CA 0.757 58.813 58.000 0.094 0.000 1.340 761 F CB -0.015 39.022 39.000 0.061 0.000 1.031 761 F HN -0.206 nan 8.300 nan 0.000 0.500 762 V N -0.334 119.758 119.914 0.296 0.000 2.379 762 V HA -0.239 3.881 4.120 0.000 0.000 0.245 762 V C 2.030 178.252 176.094 0.214 0.000 1.044 762 V CA 1.781 64.245 62.300 0.273 0.000 1.036 762 V CB -0.616 31.336 31.823 0.215 0.000 0.664 762 V HN 0.289 nan 8.190 nan 0.000 0.453 763 E N -0.293 119.969 120.200 0.104 0.000 2.085 763 E HA -0.253 4.097 4.350 0.000 0.000 0.194 763 E C 2.024 178.695 176.600 0.119 0.000 0.994 763 E CA 1.663 58.109 56.400 0.077 0.000 0.801 763 E CB -0.270 29.443 29.700 0.022 0.000 0.743 763 E HN 0.612 nan 8.360 nan 0.000 0.453 764 F N 1.925 121.819 119.950 -0.093 0.000 2.095 764 F HA -0.195 4.332 4.527 0.000 0.000 0.298 764 F C 2.416 178.138 175.800 -0.129 0.000 1.104 764 F CA 1.736 59.603 58.000 -0.221 0.000 1.232 764 F CB -0.080 38.692 39.000 -0.380 0.000 0.987 764 F HN -0.213 nan 8.300 nan 0.000 0.475 765 R N -1.207 119.292 120.500 -0.002 0.000 2.096 765 R HA -0.224 4.117 4.340 0.000 0.000 0.235 765 R C 2.141 178.455 176.300 0.023 0.000 1.127 765 R CA 1.859 57.943 56.100 -0.026 0.000 0.968 765 R CB -0.775 29.560 30.300 0.058 0.000 0.861 765 R HN 0.357 nan 8.270 nan 0.000 0.440 766 Y N 0.509 120.778 120.300 -0.051 0.000 2.314 766 Y HA -0.014 4.536 4.550 0.000 0.000 0.293 766 Y C 2.395 178.236 175.900 -0.098 0.000 1.129 766 Y CA 1.199 59.280 58.100 -0.033 0.000 1.201 766 Y CB -0.060 38.437 38.460 0.061 0.000 0.999 766 Y HN 0.014 nan 8.280 nan 0.000 0.541 767 R N -1.649 118.835 120.500 -0.027 0.000 2.120 767 R HA -0.185 4.155 4.340 0.000 0.000 0.234 767 R C 0.640 176.903 176.300 -0.062 0.000 1.123 767 R CA 1.175 57.174 56.100 -0.168 0.000 0.975 767 R CB -0.302 29.826 30.300 -0.287 0.000 0.866 767 R HN 0.300 nan 8.270 nan 0.000 0.446 768 W N 2.299 123.441 121.300 -0.263 0.000 3.151 768 W HA 0.103 4.763 4.660 0.000 0.000 0.424 768 W C 1.380 177.737 176.519 -0.270 0.000 1.012 768 W CA -0.646 56.539 57.345 -0.266 0.000 2.018 768 W CB -0.380 28.881 29.460 -0.331 0.000 1.087 768 W HN 0.255 nan 8.180 nan 0.000 0.740 769 Q N -0.185 119.556 119.800 -0.098 0.000 2.152 769 Q HA -0.221 4.119 4.340 0.000 0.000 0.206 769 Q C 1.081 176.951 176.000 -0.218 0.000 0.985 769 Q CA 1.603 57.263 55.803 -0.238 0.000 0.863 769 Q CB -0.349 28.164 28.738 -0.374 0.000 0.904 769 Q HN 0.104 nan 8.270 nan 0.000 0.422 770 E N 0.842 120.958 120.200 -0.139 0.000 2.216 770 E HA -0.041 4.310 4.350 0.000 0.000 0.192 770 E C 2.279 178.813 176.600 -0.109 0.000 0.988 770 E CA 0.771 57.127 56.400 -0.073 0.000 0.834 770 E CB -0.073 29.586 29.700 -0.068 0.000 0.772 770 E HN 0.268 nan 8.360 nan 0.000 0.479 771 V N 1.654 121.459 119.914 -0.182 0.000 2.295 771 V HA -0.246 3.874 4.120 0.000 0.000 0.246 771 V C 2.479 178.408 176.094 -0.275 0.000 1.049 771 V CA 1.458 63.593 62.300 -0.276 0.000 1.024 771 V CB -0.550 30.972 31.823 -0.501 0.000 0.648 771 V HN 0.186 nan 8.190 nan 0.000 0.447 772 L N -1.752 119.265 121.223 -0.342 0.000 2.056 772 L HA -0.175 4.165 4.340 0.000 0.000 0.207 772 L C 2.506 178.955 176.870 -0.701 0.000 1.078 772 L CA 1.680 56.169 54.840 -0.585 0.000 0.749 772 L CB -0.669 40.892 42.059 -0.830 0.000 0.901 772 L HN 0.314 nan 8.230 nan 0.000 0.433 773 Y N 0.896 120.792 120.300 -0.673 0.000 2.200 773 Y HA -0.232 4.318 4.550 0.001 0.000 0.290 773 Y C 2.755 178.523 175.900 -0.221 0.000 1.137 773 Y CA 1.722 59.577 58.100 -0.408 0.000 1.163 773 Y CB -0.624 37.726 38.460 -0.184 0.000 0.988 773 Y HN 0.082 nan 8.280 nan 0.000 0.518 774 T N 0.287 114.801 114.554 -0.066 0.000 2.746 774 T HA -0.175 4.175 4.350 0.000 0.000 0.267 774 T C 2.158 176.827 174.700 -0.052 0.000 1.039 774 T CA 1.373 63.458 62.100 -0.024 0.000 1.142 774 T CB -0.736 68.153 68.868 0.034 0.000 0.866 774 T HN 0.424 nan 8.240 nan 0.000 0.444 775 A N 1.459 124.201 122.820 -0.130 0.000 1.883 775 A HA -0.155 4.166 4.320 0.000 0.000 0.217 775 A C 2.256 179.747 177.584 -0.157 0.000 1.186 775 A CA 2.115 54.070 52.037 -0.136 0.000 0.624 775 A CB -0.721 18.178 19.000 -0.168 0.000 0.822 775 A HN 0.437 nan 8.150 nan 0.000 0.444 776 M N -1.608 117.878 119.600 -0.190 0.000 2.117 776 M HA -0.134 4.347 4.480 0.000 0.000 0.262 776 M C 1.954 178.059 176.300 -0.325 0.000 1.065 776 M CA 2.027 57.222 55.300 -0.174 0.000 1.114 776 M CB -0.780 31.817 32.600 -0.005 0.000 1.361 776 M HN 0.544 nan 8.290 nan 0.000 0.408 777 Y N 0.776 120.743 120.300 -0.555 0.000 2.128 777 Y HA -0.299 4.251 4.550 0.000 0.000 0.284 777 Y C 2.043 177.671 175.900 -0.454 0.000 1.154 777 Y CA 2.407 60.088 58.100 -0.699 0.000 1.149 777 Y CB -0.682 37.266 38.460 -0.855 0.000 0.976 777 Y HN 0.427 nan 8.280 nan 0.000 0.505 778 Q N -0.070 119.487 119.800 -0.404 0.000 2.291 778 Q HA -0.212 4.129 4.340 0.000 0.000 0.206 778 Q C 2.081 177.892 176.000 -0.314 0.000 0.976 778 Q CA 1.271 56.903 55.803 -0.285 0.000 0.875 778 Q CB -0.292 28.462 28.738 0.027 0.000 0.927 778 Q HN 0.578 nan 8.270 nan 0.000 0.450 779 N N 0.327 118.830 118.700 -0.329 0.000 2.220 779 N HA -0.072 4.668 4.740 0.000 0.000 0.182 779 N C 1.697 176.972 175.510 -0.392 0.000 1.023 779 N CA 1.090 53.968 53.050 -0.288 0.000 0.856 779 N CB 0.061 38.416 38.487 -0.221 0.000 0.997 779 N HN 0.176 nan 8.380 nan 0.000 0.429 780 A N 0.791 123.319 122.820 -0.487 0.000 1.940 780 A HA -0.008 4.312 4.320 0.000 0.000 0.219 780 A C 2.275 179.503 177.584 -0.594 0.000 1.176 780 A CA 2.042 53.777 52.037 -0.503 0.000 0.631 780 A CB -0.666 18.029 19.000 -0.509 0.000 0.814 780 A HN 0.479 nan 8.150 nan 0.000 0.446 781 A N -1.847 120.422 122.820 -0.918 0.000 1.887 781 A HA 0.374 4.694 4.320 0.000 0.000 0.212 781 A C 1.425 178.432 177.584 -0.962 0.000 1.198 781 A CA 1.244 52.569 52.037 -1.187 0.000 0.628 781 A CB -0.178 17.556 19.000 -2.110 0.000 0.847 781 A HN 0.507 nan 8.150 nan 0.000 0.449 782 F N -1.613 118.171 119.950 -0.278 0.000 2.746 782 F HA 0.431 4.958 4.527 0.001 0.000 0.320 782 F C 1.582 177.300 175.800 -0.136 0.000 1.097 782 F CA -0.202 57.703 58.000 -0.158 0.000 1.195 782 F CB 0.060 38.985 39.000 -0.125 0.000 1.056 782 F HN 0.321 nan 8.300 nan 0.000 0.562 783 G N 1.262 110.011 108.800 -0.084 0.000 2.153 783 G HA2 -0.324 3.636 3.960 0.000 0.000 0.252 783 G HA3 -0.324 3.636 3.960 0.000 0.000 0.252 783 G C 0.235 175.102 174.900 -0.055 0.000 0.994 783 G CA -0.168 44.872 45.100 -0.100 0.000 0.698 783 G HN 0.348 nan 8.290 nan 0.000 0.521 784 K N 1.700 122.085 120.400 -0.025 0.000 2.379 784 K HA 0.331 4.651 4.320 0.000 0.000 0.284 784 K C -1.976 174.583 176.600 -0.068 0.000 1.044 784 K CA -1.298 54.975 56.287 -0.024 0.000 0.974 784 K CB 0.924 33.422 32.500 -0.003 0.000 0.962 784 K HN 0.149 nan 8.250 nan 0.000 0.474 785 P HA -0.043 nan 4.420 nan 0.000 0.268 785 P C 0.474 177.721 177.300 -0.089 0.000 1.205 785 P CA 0.261 63.322 63.100 -0.066 0.000 0.771 785 P CB 0.619 32.298 31.700 -0.036 0.000 0.858 786 I N 2.258 122.783 120.570 -0.074 0.000 2.163 786 I HA -0.131 4.039 4.170 0.000 0.000 0.240 786 I C 1.186 177.265 176.117 -0.063 0.000 1.081 786 I CA 1.330 62.586 61.300 -0.072 0.000 1.353 786 I CB -0.182 37.800 38.000 -0.031 0.000 1.054 786 I HN 0.233 nan 8.210 nan 0.000 0.407 787 I N 2.710 123.261 120.570 -0.032 0.000 2.315 787 I HA 0.163 4.333 4.170 0.000 0.000 0.291 787 I C -0.081 176.032 176.117 -0.006 0.000 1.006 787 I CA -0.353 60.948 61.300 0.002 0.000 1.265 787 I CB 0.794 38.766 38.000 -0.046 0.000 1.387 787 I HN 0.062 nan 8.210 nan 0.000 0.475 788 K N 5.201 125.607 120.400 0.009 0.000 2.183 788 K HA 0.593 4.913 4.320 0.000 0.000 0.274 788 K C -0.087 176.589 176.600 0.126 0.000 1.009 788 K CA -0.567 55.724 56.287 0.007 0.000 0.888 788 K CB 1.884 34.307 32.500 -0.128 0.000 1.078 788 K HN 0.643 nan 8.250 nan 0.000 0.459 789 A N 1.842 124.722 122.820 0.101 0.000 2.445 789 A HA 0.332 4.653 4.320 0.000 0.000 0.242 789 A C 1.417 179.092 177.584 0.151 0.000 1.075 789 A CA 0.499 52.606 52.037 0.116 0.000 0.777 789 A CB 0.202 19.218 19.000 0.027 0.000 1.013 789 A HN 0.836 nan 8.150 nan 0.000 0.493 790 A N 1.798 124.721 122.820 0.171 0.000 1.948 790 A HA -0.138 4.182 4.320 0.000 0.000 0.220 790 A C 2.340 180.003 177.584 0.131 0.000 1.177 790 A CA 2.482 54.620 52.037 0.168 0.000 0.636 790 A CB -1.130 17.947 19.000 0.128 0.000 0.815 790 A HN 1.798 nan 8.150 nan 0.000 0.449 791 S N -0.707 115.010 115.700 0.029 0.000 2.500 791 S HA -0.078 4.392 4.470 0.000 0.000 0.239 791 S C 1.678 176.242 174.600 -0.060 0.000 0.989 791 S CA 1.427 59.584 58.200 -0.070 0.000 0.951 791 S CB -0.617 62.410 63.200 -0.289 0.000 0.759 791 S HN 0.558 nan 8.310 nan 0.000 0.523 792 M N -0.204 119.418 119.600 0.036 0.000 2.562 792 M HA 0.179 4.660 4.480 0.000 0.000 0.257 792 M C 0.220 176.591 176.300 0.118 0.000 1.099 792 M CA 0.402 55.758 55.300 0.093 0.000 1.099 792 M CB -0.202 32.522 32.600 0.207 0.000 1.427 792 M HN 0.351 nan 8.290 nan 0.000 0.489 793 Y N 2.822 123.150 120.300 0.047 0.000 2.531 793 Y HA 0.111 4.662 4.550 0.000 0.000 0.347 793 Y C 0.187 176.039 175.900 -0.079 0.000 1.024 793 Y CA -0.705 57.360 58.100 -0.058 0.000 1.306 793 Y CB 0.110 38.606 38.460 0.060 0.000 1.149 793 Y HN 0.111 nan 8.280 nan 0.000 0.527 794 N N 4.019 122.584 118.700 -0.224 0.000 2.381 794 N HA 0.045 4.786 4.740 0.000 0.000 0.254 794 N C -0.194 175.289 175.510 -0.045 0.000 1.264 794 N CA 0.080 53.050 53.050 -0.133 0.000 0.942 794 N CB 0.340 38.705 38.487 -0.203 0.000 1.190 794 N HN 0.775 nan 8.380 nan 0.000 0.495 795 N N -0.766 117.919 118.700 -0.025 0.000 2.725 795 N HA -0.202 4.538 4.740 0.000 0.000 0.249 795 N C -1.474 174.081 175.510 0.075 0.000 1.103 795 N CA 0.648 53.702 53.050 0.006 0.000 0.707 795 N CB -0.638 37.835 38.487 -0.023 0.000 1.043 795 N HN 0.498 nan 8.380 nan 0.000 0.553 796 D N -0.382 120.078 120.400 0.101 0.000 2.686 796 D HA 0.241 4.881 4.640 0.000 0.000 0.249 796 D C 0.191 176.516 176.300 0.041 0.000 1.260 796 D CA -0.392 53.686 54.000 0.129 0.000 0.910 796 D CB 0.975 41.932 40.800 0.262 0.000 1.323 796 D HN 0.113 nan 8.370 nan 0.000 0.561 797 S N 2.276 117.975 115.700 -0.001 0.000 2.597 797 S HA 0.134 4.604 4.470 0.000 0.000 0.224 797 S C 0.661 175.184 174.600 -0.128 0.000 0.955 797 S CA -0.187 57.983 58.200 -0.051 0.000 0.933 797 S CB -0.211 62.966 63.200 -0.038 0.000 0.788 797 S HN 0.421 nan 8.310 nan 0.000 0.488 798 N N 0.624 119.191 118.700 -0.221 0.000 2.210 798 N HA 0.133 4.873 4.740 0.000 0.000 0.203 798 N C 1.456 176.606 175.510 -0.601 0.000 1.175 798 N CA 0.561 53.308 53.050 -0.505 0.000 0.894 798 N CB 0.896 38.862 38.487 -0.870 0.000 1.041 798 N HN 0.359 nan 8.380 nan 0.000 0.506 799 V N -0.445 119.289 119.914 -0.299 0.000 2.626 799 V HA -0.103 4.017 4.120 0.000 0.000 0.252 799 V C 2.194 178.214 176.094 -0.123 0.000 1.067 799 V CA 1.307 63.514 62.300 -0.155 0.000 1.081 799 V CB -0.562 31.280 31.823 0.032 0.000 0.686 799 V HN 0.208 nan 8.190 nan 0.000 0.468 800 R N 0.756 121.195 120.500 -0.102 0.000 2.081 800 R HA -0.172 4.168 4.340 0.000 0.000 0.235 800 R C 2.645 178.906 176.300 -0.065 0.000 1.131 800 R CA 1.877 57.958 56.100 -0.032 0.000 0.960 800 R CB -0.368 29.923 30.300 -0.015 0.000 0.856 800 R HN 0.561 nan 8.270 nan 0.000 0.436 801 R N -0.140 120.271 120.500 -0.147 0.000 2.096 801 R HA -0.093 4.248 4.340 0.000 0.000 0.235 801 R C 1.622 177.833 176.300 -0.149 0.000 1.127 801 R CA 1.669 57.679 56.100 -0.150 0.000 0.968 801 R CB -0.200 29.977 30.300 -0.206 0.000 0.861 801 R HN 0.303 nan 8.270 nan 0.000 0.440 802 A N 1.129 123.808 122.820 -0.235 0.000 2.251 802 A HA -0.040 4.281 4.320 0.000 0.000 0.209 802 A C 1.704 179.236 177.584 -0.086 0.000 1.187 802 A CA 0.186 52.043 52.037 -0.300 0.000 0.823 802 A CB -0.174 18.404 19.000 -0.703 0.000 0.846 802 A HN 0.620 nan 8.150 nan 0.000 0.486 803 Q N -0.090 119.716 119.800 0.009 0.000 2.488 803 Q HA -0.122 4.218 4.340 0.000 0.000 0.211 803 Q C 0.610 176.712 176.000 0.170 0.000 0.967 803 Q CA 1.070 56.944 55.803 0.118 0.000 0.926 803 Q CB -0.370 28.452 28.738 0.140 0.000 0.992 803 Q HN 0.475 nan 8.270 nan 0.000 0.506 804 N N 2.145 120.936 118.700 0.151 0.000 2.188 804 N HA -0.113 4.627 4.740 0.000 0.000 0.184 804 N C 0.268 175.900 175.510 0.204 0.000 1.018 804 N CA 1.803 54.950 53.050 0.162 0.000 0.858 804 N CB 0.103 38.676 38.487 0.144 0.000 0.989 804 N HN 0.682 nan 8.380 nan 0.000 0.426 805 D N -2.641 117.923 120.400 0.274 0.000 2.530 805 D HA 0.042 4.683 4.640 0.000 0.000 0.253 805 D C -0.234 176.245 176.300 0.297 0.000 1.338 805 D CA -0.194 53.977 54.000 0.284 0.000 0.806 805 D CB -0.683 40.238 40.800 0.200 0.000 1.160 805 D HN 0.171 nan 8.370 nan 0.000 0.514 806 H N 0.381 119.547 119.070 0.160 0.000 2.459 806 H HA 0.545 5.101 4.556 0.000 0.000 0.332 806 H C -0.756 174.686 175.328 0.191 0.000 1.094 806 H CA -0.747 55.334 56.048 0.054 0.000 1.224 806 H CB 1.434 31.187 29.762 -0.014 0.000 1.449 806 H HN 0.080 nan 8.280 nan 0.000 0.484 807 F N 0.707 120.717 119.950 0.101 0.000 2.662 807 F HA 0.626 5.153 4.527 0.000 0.000 0.312 807 F C -2.097 173.741 175.800 0.063 0.000 1.113 807 F CA -1.227 56.824 58.000 0.085 0.000 0.951 807 F CB 0.996 40.038 39.000 0.071 0.000 1.344 807 F HN 0.145 nan 8.300 nan 0.000 0.462 808 L N 2.282 123.651 121.223 0.243 0.000 2.309 808 L HA 0.918 5.258 4.340 0.000 0.000 0.261 808 L C -0.749 176.170 176.870 0.082 0.000 1.021 808 L CA -0.907 54.007 54.840 0.123 0.000 0.823 808 L CB 2.175 44.354 42.059 0.201 0.000 1.366 808 L HN 0.924 nan 8.230 nan 0.000 0.423 809 L N -1.701 119.519 121.223 -0.004 0.000 3.020 809 L HA 0.994 5.334 4.340 0.000 0.000 0.273 809 L C -0.388 176.395 176.870 -0.145 0.000 1.018 809 L CA -0.476 54.315 54.840 -0.082 0.000 0.950 809 L CB 1.660 43.724 42.059 0.008 0.000 1.510 809 L HN 0.937 nan 8.230 nan 0.000 0.404 810 G N -0.926 107.758 108.800 -0.194 0.000 2.712 810 G HA2 0.520 4.480 3.960 0.000 0.000 0.686 810 G HA3 0.520 4.480 3.960 0.000 0.000 0.686 810 G C 0.258 175.025 174.900 -0.221 0.000 1.321 810 G CA -0.026 44.925 45.100 -0.248 0.000 0.813 810 G HN 3.058 nan 8.290 nan 0.000 0.599 811 G N -0.113 108.566 108.800 -0.202 0.000 2.698 811 G HA2 0.234 4.194 3.960 0.000 0.000 0.225 811 G HA3 0.234 4.194 3.960 0.000 0.000 0.225 811 G C 0.673 175.530 174.900 -0.072 0.000 1.345 811 G CA 1.192 46.219 45.100 -0.122 0.000 0.871 811 G HN 2.717 nan 8.290 nan 0.000 0.540 812 H N -1.154 117.903 119.070 -0.022 0.000 2.387 812 H HA 0.038 4.595 4.556 0.000 0.000 0.299 812 H C 1.847 177.184 175.328 0.015 0.000 1.090 812 H CA 2.166 58.217 56.048 0.006 0.000 1.332 812 H CB 0.021 29.780 29.762 -0.006 0.000 1.386 812 H HN 0.616 nan 8.280 nan 0.000 0.516 813 D N -1.191 118.846 120.400 -0.605 0.000 2.417 813 D HA 0.119 4.759 4.640 0.000 0.000 0.207 813 D C 1.662 177.897 176.300 -0.108 0.000 1.075 813 D CA 0.495 54.319 54.000 -0.293 0.000 0.851 813 D CB -0.056 40.541 40.800 -0.338 0.000 0.976 813 D HN 0.639 nan 8.370 nan 0.000 0.505 814 G N 0.077 108.761 108.800 -0.193 0.000 2.141 814 G HA2 -0.297 3.663 3.960 0.000 0.000 0.242 814 G HA3 -0.297 3.663 3.960 0.000 0.000 0.242 814 G C -0.069 174.585 174.900 -0.409 0.000 0.982 814 G CA 0.285 45.222 45.100 -0.272 0.000 0.662 814 G HN 0.391 nan 8.290 nan 0.000 0.527 815 Y N -0.694 119.545 120.300 -0.102 0.000 2.696 815 Y HA 0.399 4.949 4.550 0.001 0.000 0.255 815 Y C 1.880 177.808 175.900 0.048 0.000 1.103 815 Y CA -0.658 57.456 58.100 0.023 0.000 1.126 815 Y CB 0.579 39.063 38.460 0.040 0.000 1.197 815 Y HN 0.102 nan 8.280 nan 0.000 0.574 816 R N 0.310 120.833 120.500 0.039 0.000 2.280 816 R HA 0.319 4.659 4.340 0.000 0.000 0.195 816 R C -0.215 176.115 176.300 0.050 0.000 0.935 816 R CA 0.492 56.584 56.100 -0.013 0.000 1.033 816 R CB 0.470 30.685 30.300 -0.142 0.000 0.964 816 R HN 0.305 nan 8.270 nan 0.000 0.489 817 I N 1.233 121.849 120.570 0.076 0.000 2.466 817 I HA 0.241 4.412 4.170 0.000 0.000 0.289 817 I C -0.947 175.238 176.117 0.113 0.000 1.026 817 I CA -1.115 60.239 61.300 0.090 0.000 1.078 817 I CB 2.289 40.242 38.000 -0.079 0.000 1.249 817 I HN -0.222 nan 8.210 nan 0.000 0.429 818 L N 7.106 128.363 121.223 0.057 0.000 2.307 818 L HA 0.649 4.989 4.340 0.000 0.000 0.284 818 L C -1.003 175.755 176.870 -0.187 0.000 1.023 818 L CA 0.153 54.868 54.840 -0.208 0.000 0.810 818 L CB 1.161 42.790 42.059 -0.717 0.000 1.231 818 L HN 0.678 nan 8.230 nan 0.000 0.423 819 C N 4.290 123.313 119.300 -0.460 0.000 2.417 819 C HA 0.865 5.325 4.460 0.000 0.000 0.324 819 C C 0.404 174.985 174.990 -0.681 0.000 1.240 819 C CA -0.596 58.067 59.018 -0.592 0.000 1.632 819 C CB 0.799 27.941 27.740 -0.996 0.000 2.241 819 C HN 0.936 nan 8.230 nan 0.000 0.499 820 A N 4.176 126.732 122.820 -0.439 0.000 3.216 820 A HA 0.605 4.925 4.320 0.000 0.000 0.321 820 A C -2.905 174.556 177.584 -0.204 0.000 1.042 820 A CA -0.925 50.810 52.037 -0.504 0.000 0.838 820 A CB -0.089 18.367 19.000 -0.907 0.000 1.136 820 A HN 0.641 nan 8.150 nan 0.000 0.483 821 P HA 0.141 nan 4.420 nan 0.000 0.266 821 P C 0.231 177.537 177.300 0.010 0.000 1.195 821 P CA 0.145 63.245 63.100 -0.001 0.000 0.768 821 P CB 0.793 32.542 31.700 0.081 0.000 0.838 822 V N 3.836 123.760 119.914 0.017 0.000 2.585 822 V HA 0.005 4.125 4.120 0.000 0.000 0.296 822 V C 1.414 177.502 176.094 -0.010 0.000 1.035 822 V CA 0.485 62.814 62.300 0.049 0.000 1.084 822 V CB 0.856 32.720 31.823 0.069 0.000 0.953 822 V HN 0.486 nan 8.190 nan 0.000 0.483 823 V N 1.131 121.015 119.914 -0.050 0.000 3.085 823 V HA 0.462 4.582 4.120 0.000 0.000 0.345 823 V C -0.418 175.334 176.094 -0.569 0.000 1.397 823 V CA -0.471 61.655 62.300 -0.290 0.000 1.165 823 V CB -0.614 31.008 31.823 -0.335 0.000 1.153 823 V HN 0.719 nan 8.190 nan 0.000 0.495 824 W N -0.075 121.234 121.300 0.015 0.000 2.915 824 W HA 0.610 5.271 4.660 0.000 0.000 0.337 824 W C 0.148 176.670 176.519 0.005 0.000 1.102 824 W CA -0.562 56.793 57.345 0.018 0.000 1.224 824 W CB 1.537 31.020 29.460 0.038 0.000 1.416 824 W HN 0.014 nan 8.180 nan 0.000 0.503 825 E N 1.446 121.799 120.200 0.256 0.000 2.390 825 E HA 0.043 4.393 4.350 0.000 0.000 0.261 825 E C 0.171 176.865 176.600 0.156 0.000 1.076 825 E CA 0.298 56.787 56.400 0.149 0.000 0.905 825 E CB 0.204 29.973 29.700 0.114 0.000 0.984 825 E HN 0.675 nan 8.360 nan 0.000 0.427 826 N N 0.761 119.521 118.700 0.101 0.000 2.740 826 N HA -0.219 4.521 4.740 0.000 0.000 0.248 826 N C -1.459 174.101 175.510 0.082 0.000 1.062 826 N CA 0.481 53.580 53.050 0.081 0.000 0.704 826 N CB -0.707 37.823 38.487 0.073 0.000 0.968 826 N HN 0.205 nan 8.380 nan 0.000 0.547 827 S N -0.432 115.326 115.700 0.097 0.000 2.557 827 S HA 0.539 5.009 4.470 0.000 0.000 0.291 827 S C 0.461 175.111 174.600 0.083 0.000 1.116 827 S CA -0.142 58.120 58.200 0.103 0.000 0.992 827 S CB 1.458 64.764 63.200 0.175 0.000 1.028 827 S HN 0.262 nan 8.310 nan 0.000 0.484 828 T N 0.802 115.397 114.554 0.067 0.000 3.296 828 T HA 0.492 4.842 4.350 0.000 0.000 0.285 828 T C -0.341 174.390 174.700 0.052 0.000 1.014 828 T CA -0.464 61.667 62.100 0.050 0.000 0.920 828 T CB -0.515 68.372 68.868 0.032 0.000 1.143 828 T HN 0.735 nan 8.240 nan 0.000 0.522 829 E N 0.439 120.690 120.200 0.085 0.000 2.401 829 E HA 0.733 5.083 4.350 0.000 0.000 0.280 829 E C -0.967 175.728 176.600 0.159 0.000 1.039 829 E CA -1.481 54.984 56.400 0.108 0.000 0.814 829 E CB 1.285 31.041 29.700 0.094 0.000 1.275 829 E HN 0.378 nan 8.360 nan 0.000 0.448 830 R N -0.534 120.090 120.500 0.206 0.000 2.734 830 R HA 0.491 4.831 4.340 0.000 0.000 0.271 830 R C -1.324 175.098 176.300 0.204 0.000 1.021 830 R CA -1.096 55.130 56.100 0.210 0.000 0.893 830 R CB 1.342 31.766 30.300 0.205 0.000 1.244 830 R HN 0.575 nan 8.270 nan 0.000 0.464 831 E N 1.599 121.892 120.200 0.154 0.000 2.152 831 E HA 0.243 4.593 4.350 0.000 0.000 0.285 831 E C -1.275 175.366 176.600 0.068 0.000 1.043 831 E CA -0.694 55.734 56.400 0.047 0.000 0.839 831 E CB 0.876 30.563 29.700 -0.022 0.000 1.069 831 E HN 0.463 nan 8.360 nan 0.000 0.399 832 L N 6.257 127.468 121.223 -0.020 0.000 2.307 832 L HA 0.388 4.728 4.340 0.000 0.000 0.284 832 L C -1.704 175.116 176.870 -0.083 0.000 1.023 832 L CA -0.691 54.125 54.840 -0.038 0.000 0.810 832 L CB 1.086 42.914 42.059 -0.385 0.000 1.231 832 L HN 0.520 nan 8.230 nan 0.000 0.423 833 Y N 5.359 125.589 120.300 -0.117 0.000 2.341 833 Y HA 0.640 5.191 4.550 0.000 0.000 0.338 833 Y C -1.473 174.201 175.900 -0.377 0.000 0.965 833 Y CA -0.965 56.939 58.100 -0.326 0.000 1.108 833 Y CB 1.324 39.523 38.460 -0.435 0.000 1.180 833 Y HN 0.569 nan 8.280 nan 0.000 0.458 834 L N 9.108 129.544 121.223 -1.310 0.000 2.282 834 L HA 0.480 4.820 4.340 0.000 0.000 0.288 834 L C -2.303 173.780 176.870 -1.311 0.000 1.033 834 L CA -2.159 51.948 54.840 -1.221 0.000 0.807 834 L CB 1.346 42.890 42.059 -0.857 0.000 1.209 834 L HN 0.537 nan 8.230 nan 0.000 0.423 835 P HA -0.045 nan 4.420 nan 0.000 0.266 835 P C -0.221 176.970 177.300 -0.182 0.000 1.195 835 P CA 0.000 62.759 63.100 -0.569 0.000 0.768 835 P CB 0.825 31.885 31.700 -1.066 0.000 0.838 836 V N 5.409 125.297 119.914 -0.043 0.000 3.133 836 V HA 0.134 4.254 4.120 0.000 0.000 0.305 836 V C 1.044 177.219 176.094 0.135 0.000 1.084 836 V CA -0.151 62.191 62.300 0.070 0.000 1.089 836 V CB -0.369 31.527 31.823 0.122 0.000 1.073 836 V HN 0.541 nan 8.190 nan 0.000 0.477 837 L N 2.644 123.902 121.223 0.059 0.000 3.865 837 L HA -0.166 4.174 4.340 0.000 0.000 0.408 837 L C 0.154 177.015 176.870 -0.015 0.000 1.209 837 L CA 0.994 55.851 54.840 0.027 0.000 0.940 837 L CB -1.926 40.158 42.059 0.042 0.000 1.971 837 L HN 0.944 nan 8.230 nan 0.000 0.899 838 T N -1.712 112.790 114.554 -0.087 0.000 2.769 838 T HA 0.532 4.883 4.350 0.000 0.000 0.306 838 T C -1.530 172.930 174.700 -0.400 0.000 1.400 838 T CA -0.632 61.310 62.100 -0.263 0.000 1.007 838 T CB 1.882 70.519 68.868 -0.384 0.000 1.392 838 T HN 0.119 nan 8.240 nan 0.000 0.500 839 Q N 0.894 120.396 119.800 -0.496 0.000 2.306 839 Q HA 0.479 4.820 4.340 0.000 0.000 0.265 839 Q C -1.393 174.175 176.000 -0.719 0.000 1.022 839 Q CA -0.331 55.185 55.803 -0.478 0.000 0.853 839 Q CB 1.967 30.522 28.738 -0.306 0.000 1.327 839 Q HN 0.645 nan 8.270 nan 0.000 0.449 840 W N 1.041 122.129 121.300 -0.352 0.000 2.761 840 W HA 0.479 5.139 4.660 0.000 0.000 0.340 840 W C -0.858 175.413 176.519 -0.414 0.000 1.072 840 W CA -0.595 56.583 57.345 -0.278 0.000 1.215 840 W CB 1.184 30.473 29.460 -0.285 0.000 1.420 840 W HN 0.437 nan 8.180 nan 0.000 0.519 841 Y N 1.890 122.404 120.300 0.357 0.000 2.326 841 Y HA 0.256 4.806 4.550 0.000 0.000 0.331 841 Y C 0.466 176.552 175.900 0.310 0.000 0.962 841 Y CA -1.595 56.674 58.100 0.281 0.000 1.167 841 Y CB 1.439 40.027 38.460 0.215 0.000 1.148 841 Y HN 0.237 nan 8.280 nan 0.000 0.463 842 K N 2.890 123.521 120.400 0.386 0.000 2.524 842 K HA 0.117 4.438 4.320 0.000 0.000 0.279 842 K C -1.315 175.024 176.600 -0.435 0.000 0.993 842 K CA 0.650 56.957 56.287 0.034 0.000 1.030 842 K CB 0.324 32.880 32.500 0.092 0.000 0.891 842 K HN 0.627 nan 8.250 nan 0.000 0.488 843 F N 1.002 120.543 119.950 -0.682 0.000 3.049 843 F HA 0.642 5.169 4.527 0.000 0.000 0.329 843 F C 0.125 175.731 175.800 -0.324 0.000 1.208 843 F CA 0.643 58.300 58.000 -0.571 0.000 0.956 843 F CB 1.545 40.514 39.000 -0.053 0.000 1.469 843 F HN 0.767 nan 8.300 nan 0.000 0.516 844 G N 0.661 109.166 108.800 -0.492 0.000 2.343 844 G HA2 0.039 3.999 3.960 0.000 0.000 0.465 844 G HA3 0.039 3.999 3.960 0.000 0.000 0.465 844 G C -2.772 171.471 174.900 -1.095 0.000 1.282 844 G CA -0.421 44.046 45.100 -1.055 0.000 0.996 844 G HN 0.410 nan 8.290 nan 0.000 0.521 845 P HA 0.007 nan 4.420 nan 0.000 0.217 845 P C 1.080 178.141 177.300 -0.397 0.000 1.148 845 P CA 1.713 64.379 63.100 -0.723 0.000 0.828 845 P CB 0.079 31.236 31.700 -0.905 0.000 0.783 846 D N -1.735 118.433 120.400 -0.386 0.000 2.234 846 D HA -0.038 4.602 4.640 0.000 0.000 0.205 846 D C 1.502 177.579 176.300 -0.371 0.000 0.962 846 D CA 0.875 54.666 54.000 -0.348 0.000 0.855 846 D CB -0.647 39.903 40.800 -0.415 0.000 0.951 846 D HN 0.220 nan 8.370 nan 0.000 0.500 847 F N 0.970 120.667 119.950 -0.421 0.000 2.661 847 F HA -0.038 4.489 4.527 0.000 0.000 0.298 847 F C 1.941 177.611 175.800 -0.218 0.000 1.137 847 F CA 0.334 58.112 58.000 -0.371 0.000 1.454 847 F CB -0.099 38.530 39.000 -0.617 0.000 1.103 847 F HN -0.155 nan 8.300 nan 0.000 0.577 848 D N -0.058 120.312 120.400 -0.050 0.000 2.221 848 D HA -0.157 4.483 4.640 0.000 0.000 0.204 848 D C 1.774 178.173 176.300 0.164 0.000 0.982 848 D CA 1.775 55.867 54.000 0.152 0.000 0.857 848 D CB -0.006 40.909 40.800 0.192 0.000 0.934 848 D HN 0.234 nan 8.370 nan 0.000 0.475 849 T N -3.225 111.359 114.554 0.051 0.000 3.182 849 T HA 0.217 4.567 4.350 0.000 0.000 0.277 849 T C 0.313 175.013 174.700 -0.000 0.000 1.013 849 T CA -0.697 61.429 62.100 0.043 0.000 0.900 849 T CB 0.059 68.930 68.868 0.004 0.000 1.098 849 T HN 0.247 nan 8.240 nan 0.000 0.543 850 K N -0.347 120.044 120.400 -0.015 0.000 2.522 850 K HA 0.745 5.066 4.320 0.000 0.000 0.275 850 K C -3.589 173.046 176.600 0.059 0.000 1.006 850 K CA -2.371 53.897 56.287 -0.031 0.000 0.890 850 K CB 0.878 33.286 32.500 -0.154 0.000 1.475 850 K HN -0.235 nan 8.250 nan 0.000 0.441 851 P HA 0.144 nan 4.420 nan 0.000 0.274 851 P C -0.464 177.007 177.300 0.285 0.000 1.231 851 P CA -0.451 62.732 63.100 0.138 0.000 0.790 851 P CB 0.399 32.154 31.700 0.093 0.000 0.951 852 L N 0.868 122.294 121.223 0.340 0.000 2.482 852 L HA 0.087 4.427 4.340 0.000 0.000 0.273 852 L C 1.284 178.400 176.870 0.410 0.000 1.228 852 L CA 0.258 55.378 54.840 0.466 0.000 0.827 852 L CB -0.266 41.967 42.059 0.290 0.000 1.099 852 L HN 0.403 nan 8.230 nan 0.000 0.494 853 E N -0.011 120.478 120.200 0.482 0.000 2.602 853 E HA 0.331 4.682 4.350 0.000 0.000 0.255 853 E C 0.117 176.937 176.600 0.366 0.000 1.268 853 E CA -0.556 56.067 56.400 0.371 0.000 1.007 853 E CB 0.477 30.401 29.700 0.373 0.000 1.208 853 E HN 0.700 nan 8.360 nan 0.000 0.584 854 G N -0.355 108.612 108.800 0.278 0.000 2.594 854 G HA2 0.325 4.285 3.960 0.000 0.000 0.243 854 G HA3 0.325 4.285 3.960 0.000 0.000 0.243 854 G C -0.340 174.682 174.900 0.204 0.000 1.229 854 G CA -0.159 45.092 45.100 0.252 0.000 0.843 854 G HN 0.503 nan 8.290 nan 0.000 0.578 855 A N 1.393 124.276 122.820 0.105 0.000 2.540 855 A HA 0.426 4.746 4.320 0.000 0.000 0.239 855 A C 0.560 178.044 177.584 -0.167 0.000 1.061 855 A CA 0.330 52.172 52.037 -0.325 0.000 0.758 855 A CB -0.037 18.788 19.000 -0.292 0.000 0.991 855 A HN 0.631 nan 8.150 nan 0.000 0.502 856 M N 2.921 122.399 119.600 -0.202 0.000 2.209 856 M HA 0.192 4.672 4.480 0.000 0.000 0.355 856 M C -0.303 175.939 176.300 -0.097 0.000 1.171 856 M CA -0.496 54.749 55.300 -0.093 0.000 1.069 856 M CB 1.029 33.585 32.600 -0.074 0.000 1.622 856 M HN 0.659 nan 8.290 nan 0.000 0.459 857 N N 1.987 120.643 118.700 -0.073 0.000 2.470 857 N HA 0.192 4.933 4.740 0.000 0.000 0.268 857 N C 0.102 175.583 175.510 -0.048 0.000 1.136 857 N CA 0.020 53.031 53.050 -0.065 0.000 0.961 857 N CB 0.908 39.367 38.487 -0.046 0.000 1.067 857 N HN 0.862 nan 8.380 nan 0.000 0.468 858 G N -0.081 108.705 108.800 -0.024 0.000 2.484 858 G HA2 0.354 4.315 3.960 0.000 0.000 0.235 858 G HA3 0.354 4.315 3.960 0.000 0.000 0.235 858 G C 1.035 175.891 174.900 -0.073 0.000 1.282 858 G CA 0.211 45.311 45.100 0.000 0.000 0.857 858 G HN 0.787 nan 8.290 nan 0.000 0.571 859 G N 1.359 110.053 108.800 -0.177 0.000 2.213 859 G HA2 -0.244 3.716 3.960 0.000 0.000 0.236 859 G HA3 -0.244 3.716 3.960 0.000 0.000 0.236 859 G C 0.211 175.083 174.900 -0.047 0.000 0.991 859 G CA 0.282 45.347 45.100 -0.058 0.000 0.629 859 G HN 0.781 nan 8.290 nan 0.000 0.517 860 D N 0.747 121.044 120.400 -0.172 0.000 2.383 860 D HA 0.401 5.042 4.640 0.000 0.000 0.252 860 D C 0.680 176.897 176.300 -0.138 0.000 1.166 860 D CA 0.102 54.030 54.000 -0.121 0.000 0.879 860 D CB 0.808 41.523 40.800 -0.141 0.000 1.164 860 D HN 0.455 nan 8.370 nan 0.000 0.462 861 R N 3.597 124.101 120.500 0.008 0.000 2.265 861 R HA 0.428 4.768 4.340 0.000 0.000 0.328 861 R C -0.748 175.494 176.300 -0.097 0.000 0.969 861 R CA -0.536 55.556 56.100 -0.012 0.000 0.832 861 R CB 0.285 30.593 30.300 0.013 0.000 1.139 861 R HN 0.390 nan 8.270 nan 0.000 0.457 862 I N 5.612 126.089 120.570 -0.155 0.000 2.354 862 I HA 0.240 4.410 4.170 0.000 0.000 0.286 862 I C -0.659 175.425 176.117 -0.055 0.000 1.007 862 I CA -0.862 60.414 61.300 -0.040 0.000 1.167 862 I CB 0.987 38.991 38.000 0.006 0.000 1.320 862 I HN 0.535 nan 8.210 nan 0.000 0.458 863 Y N 5.221 125.580 120.300 0.098 0.000 2.326 863 Y HA 0.142 4.693 4.550 0.000 0.000 0.333 863 Y C 1.182 177.160 175.900 0.129 0.000 1.240 863 Y CA -0.141 58.022 58.100 0.104 0.000 1.365 863 Y CB 0.467 38.971 38.460 0.074 0.000 1.289 863 Y HN 0.601 nan 8.280 nan 0.000 0.548 864 N N -0.017 118.852 118.700 0.282 0.000 2.725 864 N HA -0.317 4.423 4.740 0.000 0.000 0.249 864 N C -0.949 174.677 175.510 0.194 0.000 1.103 864 N CA 0.510 53.681 53.050 0.201 0.000 0.707 864 N CB -2.124 36.457 38.487 0.157 0.000 1.043 864 N HN 0.649 nan 8.380 nan 0.000 0.553 865 Y N 2.662 123.020 120.300 0.098 0.000 2.677 865 Y HA 0.145 4.695 4.550 0.000 0.000 0.335 865 Y C -1.765 174.189 175.900 0.090 0.000 1.162 865 Y CA -1.591 56.562 58.100 0.089 0.000 1.483 865 Y CB 0.541 39.050 38.460 0.081 0.000 1.209 865 Y HN 0.049 nan 8.280 nan 0.000 0.528 866 P HA -0.010 nan 4.420 nan 0.000 0.262 866 P C -1.096 176.034 177.300 -0.284 0.000 1.199 866 P CA 0.417 63.361 63.100 -0.261 0.000 0.763 866 P CB 0.636 32.193 31.700 -0.239 0.000 0.790 867 V N 6.095 125.963 119.914 -0.076 0.000 2.454 867 V HA 0.219 4.339 4.120 0.000 0.000 0.267 867 V C -2.051 174.046 176.094 0.006 0.000 0.993 867 V CA -1.871 60.423 62.300 -0.010 0.000 0.836 867 V CB 1.298 33.165 31.823 0.074 0.000 1.055 867 V HN 0.437 nan 8.190 nan 0.000 0.452 868 P HA 0.096 nan 4.420 nan 0.000 0.273 868 P C 0.854 178.163 177.300 0.016 0.000 1.250 868 P CA -0.040 63.064 63.100 0.007 0.000 0.793 868 P CB 1.134 32.835 31.700 0.002 0.000 1.011 869 Q N 1.089 120.899 119.800 0.016 0.000 2.112 869 Q HA -0.204 4.137 4.340 0.000 0.000 0.206 869 Q C 1.715 177.722 176.000 0.011 0.000 0.987 869 Q CA 2.584 58.392 55.803 0.007 0.000 0.858 869 Q CB -0.400 28.346 28.738 0.013 0.000 0.905 869 Q HN 0.563 nan 8.270 nan 0.000 0.420 870 S N -1.069 114.655 115.700 0.039 0.000 2.603 870 S HA 0.020 4.490 4.470 0.000 0.000 0.229 870 S C 0.145 174.849 174.600 0.172 0.000 0.972 870 S CA 0.116 58.370 58.200 0.090 0.000 0.935 870 S CB 0.083 63.318 63.200 0.059 0.000 0.769 870 S HN 0.314 nan 8.310 nan 0.000 0.536 871 E N 0.181 120.451 120.200 0.116 0.000 2.339 871 E HA 0.673 5.023 4.350 0.000 0.000 0.262 871 E C -1.262 175.410 176.600 0.121 0.000 0.934 871 E CA -0.827 55.672 56.400 0.164 0.000 0.802 871 E CB 2.042 31.788 29.700 0.076 0.000 1.275 871 E HN 0.134 nan 8.360 nan 0.000 0.427 872 S N 0.694 116.494 115.700 0.165 0.000 2.546 872 S HA 0.424 4.894 4.470 0.000 0.000 0.272 872 S C -2.870 171.740 174.600 0.018 0.000 1.140 872 S CA -1.483 56.754 58.200 0.063 0.000 0.920 872 S CB 1.322 64.535 63.200 0.021 0.000 1.083 872 S HN 0.134 nan 8.310 nan 0.000 0.476 873 P HA 0.441 nan 4.420 nan 0.000 0.274 873 P C -1.152 175.965 177.300 -0.306 0.000 1.291 873 P CA 0.143 63.191 63.100 -0.087 0.000 0.815 873 P CB -0.110 31.693 31.700 0.171 0.000 0.897 874 I N 4.324 124.485 120.570 -0.683 0.000 2.569 874 I HA 0.432 4.602 4.170 0.000 0.000 0.290 874 I C -0.705 175.006 176.117 -0.676 0.000 1.088 874 I CA -0.676 60.380 61.300 -0.407 0.000 1.047 874 I CB 1.701 39.671 38.000 -0.049 0.000 1.237 874 I HN 0.115 nan 8.210 nan 0.000 0.421 875 F N 4.940 124.927 119.950 0.061 0.000 2.556 875 F HA 0.554 5.081 4.527 0.001 0.000 0.314 875 F C -0.250 175.674 175.800 0.208 0.000 1.106 875 F CA -1.016 57.051 58.000 0.113 0.000 0.911 875 F CB 1.968 40.939 39.000 -0.049 0.000 1.190 875 F HN -0.066 nan 8.300 nan 0.000 0.448 876 V N 2.988 123.077 119.914 0.293 0.000 2.394 876 V HA 0.430 4.550 4.120 0.000 0.000 0.282 876 V C 0.203 176.378 176.094 0.134 0.000 1.031 876 V CA -0.922 61.361 62.300 -0.028 0.000 0.881 876 V CB 1.425 32.742 31.823 -0.845 0.000 0.982 876 V HN 0.696 nan 8.190 nan 0.000 0.451 877 R N 3.420 123.931 120.500 0.018 0.000 2.543 877 R HA 0.181 4.521 4.340 0.000 0.000 0.277 877 R C 0.624 176.845 176.300 -0.130 0.000 1.074 877 R CA -0.353 55.569 56.100 -0.297 0.000 1.076 877 R CB 0.616 30.625 30.300 -0.484 0.000 0.993 877 R HN 0.933 nan 8.270 nan 0.000 0.459 878 E N 2.400 122.560 120.200 -0.068 0.000 2.459 878 E HA 0.030 4.380 4.350 0.000 0.000 0.264 878 E C 0.450 177.046 176.600 -0.007 0.000 1.055 878 E CA 0.375 56.827 56.400 0.087 0.000 0.957 878 E CB 0.353 30.104 29.700 0.085 0.000 0.952 878 E HN 0.820 nan 8.360 nan 0.000 0.448 879 G N 1.116 109.938 108.800 0.038 0.000 2.159 879 G HA2 -0.254 3.707 3.960 0.000 0.000 0.256 879 G HA3 -0.254 3.707 3.960 0.000 0.000 0.256 879 G C 0.189 175.112 174.900 0.040 0.000 0.977 879 G CA 0.005 45.113 45.100 0.014 0.000 0.652 879 G HN 1.008 nan 8.290 nan 0.000 0.531 880 A N 0.058 122.914 122.820 0.059 0.000 2.301 880 A HA 0.789 5.109 4.320 0.000 0.000 0.298 880 A C 0.143 177.837 177.584 0.182 0.000 1.185 880 A CA -0.291 51.786 52.037 0.067 0.000 0.830 880 A CB 0.540 19.453 19.000 -0.146 0.000 1.112 880 A HN 0.758 nan 8.150 nan 0.000 0.508 881 I N 3.424 124.085 120.570 0.152 0.000 2.410 881 I HA 0.297 4.467 4.170 0.000 0.000 0.286 881 I C -0.922 175.311 176.117 0.192 0.000 1.009 881 I CA -0.149 61.270 61.300 0.198 0.000 1.111 881 I CB 1.390 39.459 38.000 0.116 0.000 1.262 881 I HN 0.473 nan 8.210 nan 0.000 0.443 882 L N 8.136 129.496 121.223 0.229 0.000 2.322 882 L HA 0.532 4.872 4.340 0.000 0.000 0.281 882 L C -2.370 174.543 176.870 0.071 0.000 1.014 882 L CA -1.955 52.935 54.840 0.083 0.000 0.815 882 L CB 1.888 43.940 42.059 -0.011 0.000 1.247 882 L HN 0.280 nan 8.230 nan 0.000 0.421 883 P HA 0.189 nan 4.420 nan 0.000 0.276 883 P C -0.886 176.352 177.300 -0.103 0.000 1.235 883 P CA -0.153 62.783 63.100 -0.273 0.000 0.772 883 P CB 1.122 32.635 31.700 -0.313 0.000 0.871 884 T N 4.002 118.514 114.554 -0.070 0.000 2.893 884 T HA 0.526 4.876 4.350 0.000 0.000 0.293 884 T C -0.244 174.405 174.700 -0.085 0.000 1.027 884 T CA -0.791 61.325 62.100 0.026 0.000 0.988 884 T CB 1.537 70.494 68.868 0.149 0.000 1.043 884 T HN 0.212 nan 8.240 nan 0.000 0.461 885 R N 1.185 121.565 120.500 -0.200 0.000 2.740 885 R HA 0.659 4.999 4.340 0.000 0.000 0.282 885 R C -1.519 174.595 176.300 -0.311 0.000 0.969 885 R CA -0.776 55.267 56.100 -0.095 0.000 0.918 885 R CB 1.562 31.890 30.300 0.046 0.000 1.175 885 R HN 0.672 nan 8.270 nan 0.000 0.464 886 Y N -0.998 119.429 120.300 0.211 0.000 2.553 886 Y HA 0.289 4.839 4.550 0.000 0.000 0.347 886 Y C 0.616 176.526 175.900 0.016 0.000 1.019 886 Y CA -0.815 57.373 58.100 0.147 0.000 1.032 886 Y CB 1.961 40.475 38.460 0.090 0.000 1.284 886 Y HN 0.564 nan 8.280 nan 0.000 0.466 887 T N -0.536 114.087 114.554 0.115 0.000 2.897 887 T HA 0.189 4.539 4.350 0.000 0.000 0.294 887 T C 0.797 175.471 174.700 -0.043 0.000 1.004 887 T CA -0.651 61.378 62.100 -0.119 0.000 1.106 887 T CB 1.058 69.832 68.868 -0.155 0.000 0.949 887 T HN 0.643 nan 8.240 nan 0.000 0.520 888 L N 2.087 123.253 121.223 -0.095 0.000 2.083 888 L HA -0.033 4.307 4.340 0.000 0.000 0.209 888 L C 2.027 178.908 176.870 0.019 0.000 1.083 888 L CA 1.871 56.682 54.840 -0.049 0.000 0.752 888 L CB -0.835 41.197 42.059 -0.046 0.000 0.899 888 L HN 0.924 nan 8.230 nan 0.000 0.433 889 N N -1.144 117.552 118.700 -0.007 0.000 2.280 889 N HA 0.114 4.854 4.740 0.000 0.000 0.192 889 N C 1.376 176.895 175.510 0.014 0.000 1.109 889 N CA 0.788 53.839 53.050 0.002 0.000 0.855 889 N CB -0.001 38.477 38.487 -0.016 0.000 0.974 889 N HN 0.303 nan 8.380 nan 0.000 0.482 890 G N -0.030 108.793 108.800 0.038 0.000 2.162 890 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 890 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 890 G C -0.421 174.500 174.900 0.035 0.000 0.976 890 G CA 0.226 45.358 45.100 0.054 0.000 0.655 890 G HN 0.511 nan 8.290 nan 0.000 0.533 891 E N 0.510 120.720 120.200 0.016 0.000 2.242 891 E HA 0.327 4.678 4.350 0.000 0.000 0.275 891 E C -0.210 176.403 176.600 0.023 0.000 1.002 891 E CA -0.901 55.507 56.400 0.013 0.000 0.841 891 E CB 0.503 30.206 29.700 0.004 0.000 1.109 891 E HN 0.210 nan 8.360 nan 0.000 0.394 892 N N 3.833 122.551 118.700 0.030 0.000 2.442 892 N HA 0.054 4.794 4.740 0.000 0.000 0.265 892 N C -0.371 175.177 175.510 0.064 0.000 1.138 892 N CA 0.293 53.367 53.050 0.040 0.000 0.956 892 N CB 0.671 39.161 38.487 0.005 0.000 1.067 892 N HN 0.438 nan 8.380 nan 0.000 0.474 893 K N -1.180 119.286 120.400 0.109 0.000 2.372 893 K HA 0.540 4.861 4.320 0.000 0.000 0.251 893 K C -0.367 176.417 176.600 0.308 0.000 1.055 893 K CA -0.859 55.521 56.287 0.154 0.000 0.879 893 K CB 0.738 33.288 32.500 0.084 0.000 1.384 893 K HN 0.350 nan 8.250 nan 0.000 0.465 894 S N 0.162 116.035 115.700 0.289 0.000 2.592 894 S HA 0.161 4.632 4.470 0.000 0.000 0.271 894 S C 1.417 176.288 174.600 0.451 0.000 1.326 894 S CA -0.838 57.564 58.200 0.337 0.000 1.024 894 S CB 0.351 63.644 63.200 0.155 0.000 0.921 894 S HN 0.615 nan 8.310 nan 0.000 0.527 895 L N 1.584 122.993 121.223 0.309 0.000 2.079 895 L HA -0.184 4.156 4.340 0.000 0.000 0.210 895 L C 2.484 179.429 176.870 0.125 0.000 1.081 895 L CA 1.910 56.754 54.840 0.007 0.000 0.752 895 L CB -1.039 40.865 42.059 -0.258 0.000 0.896 895 L HN 0.917 nan 8.230 nan 0.000 0.433 896 N N -0.776 118.012 118.700 0.146 0.000 2.512 896 N HA -0.152 4.589 4.740 0.000 0.000 0.183 896 N C 1.317 177.033 175.510 0.345 0.000 1.073 896 N CA 1.291 54.478 53.050 0.228 0.000 0.911 896 N CB -0.329 38.251 38.487 0.155 0.000 0.964 896 N HN 0.319 nan 8.380 nan 0.000 0.447 897 T N -4.558 110.171 114.554 0.291 0.000 3.105 897 T HA 0.159 4.509 4.350 0.000 0.000 0.253 897 T C 0.090 174.933 174.700 0.239 0.000 1.047 897 T CA -0.618 61.619 62.100 0.228 0.000 0.944 897 T CB -0.693 68.263 68.868 0.147 0.000 1.016 897 T HN 0.149 nan 8.240 nan 0.000 0.544 898 Y N 3.075 123.435 120.300 0.101 0.000 2.480 898 Y HA 0.374 4.924 4.550 0.000 0.000 0.338 898 Y C 1.550 177.494 175.900 0.074 0.000 1.220 898 Y CA -0.145 58.006 58.100 0.085 0.000 1.430 898 Y CB 0.797 39.305 38.460 0.081 0.000 1.311 898 Y HN 0.278 nan 8.280 nan 0.000 0.575 899 T N -2.715 111.938 114.554 0.165 0.000 2.883 899 T HA 0.216 4.566 4.350 0.000 0.000 0.284 899 T C 0.210 174.958 174.700 0.081 0.000 1.041 899 T CA -0.954 61.206 62.100 0.101 0.000 1.007 899 T CB 1.307 70.192 68.868 0.029 0.000 1.220 899 T HN 0.439 nan 8.240 nan 0.000 0.552 900 D N 0.245 120.611 120.400 -0.057 0.000 2.378 900 D HA 0.007 4.647 4.640 0.000 0.000 0.222 900 D C 1.438 177.600 176.300 -0.230 0.000 0.980 900 D CA 0.485 54.273 54.000 -0.353 0.000 0.907 900 D CB 0.072 40.383 40.800 -0.815 0.000 0.899 900 D HN 0.506 nan 8.370 nan 0.000 0.527 901 E N 0.509 120.666 120.200 -0.072 0.000 2.481 901 E HA -0.009 4.341 4.350 0.000 0.000 0.195 901 E C -0.105 176.510 176.600 0.024 0.000 1.047 901 E CA 0.275 56.668 56.400 -0.012 0.000 0.867 901 E CB 0.138 29.826 29.700 -0.021 0.000 0.858 901 E HN 0.331 nan 8.360 nan 0.000 0.513 902 D N 2.639 123.070 120.400 0.053 0.000 2.339 902 D HA 0.157 4.797 4.640 0.000 0.000 0.241 902 D C -2.381 174.017 176.300 0.164 0.000 1.183 902 D CA -1.785 52.236 54.000 0.035 0.000 0.859 902 D CB 1.038 41.818 40.800 -0.034 0.000 1.067 902 D HN -0.140 nan 8.370 nan 0.000 0.484 903 P HA -0.113 nan 4.420 nan 0.000 0.261 903 P C -0.258 177.209 177.300 0.278 0.000 1.158 903 P CA -0.012 63.118 63.100 0.050 0.000 0.758 903 P CB 0.405 31.660 31.700 -0.742 0.000 0.763 904 L N 5.909 127.375 121.223 0.406 0.000 2.296 904 L HA 0.475 4.815 4.340 0.000 0.000 0.286 904 L C -1.062 175.991 176.870 0.303 0.000 1.023 904 L CA -0.274 54.673 54.840 0.179 0.000 0.812 904 L CB 1.442 43.363 42.059 -0.229 0.000 1.223 904 L HN 0.043 nan 8.230 nan 0.000 0.421 905 V N 6.042 126.076 119.914 0.200 0.000 2.483 905 V HA 0.384 4.504 4.120 0.000 0.000 0.297 905 V C -0.575 175.588 176.094 0.115 0.000 1.027 905 V CA -0.359 62.159 62.300 0.363 0.000 0.855 905 V CB 1.324 33.473 31.823 0.543 0.000 0.995 905 V HN 0.527 nan 8.190 nan 0.000 0.424 906 F N 2.974 123.131 119.950 0.346 0.000 2.405 906 F HA 0.335 4.862 4.527 0.001 0.000 0.358 906 F C 0.805 176.695 175.800 0.150 0.000 1.151 906 F CA -0.118 58.036 58.000 0.256 0.000 1.161 906 F CB 0.665 39.868 39.000 0.338 0.000 1.245 906 F HN 0.535 nan 8.300 nan 0.000 0.545 907 E N 3.541 123.867 120.200 0.210 0.000 2.130 907 E HA 0.350 4.701 4.350 0.000 0.000 0.284 907 E C -1.175 175.432 176.600 0.012 0.000 1.018 907 E CA -0.502 55.911 56.400 0.022 0.000 0.817 907 E CB 0.870 30.572 29.700 0.004 0.000 1.078 907 E HN 0.367 nan 8.360 nan 0.000 0.396 908 V N 6.647 126.507 119.914 -0.090 0.000 2.348 908 V HA 0.217 4.337 4.120 0.000 0.000 0.270 908 V C -0.083 175.908 176.094 -0.172 0.000 1.037 908 V CA -0.369 61.908 62.300 -0.038 0.000 0.872 908 V CB -0.294 31.508 31.823 -0.035 0.000 1.002 908 V HN 0.603 nan 8.190 nan 0.000 0.464 909 F N 5.496 125.398 119.950 -0.080 0.000 2.375 909 F HA 0.401 4.928 4.527 0.000 0.000 0.313 909 F C -1.588 174.117 175.800 -0.157 0.000 1.176 909 F CA -2.159 55.754 58.000 -0.144 0.000 1.142 909 F CB 0.218 39.131 39.000 -0.146 0.000 1.275 909 F HN 0.314 nan 8.300 nan 0.000 0.544 910 P HA -0.028 nan 4.420 nan 0.000 0.263 910 P C -0.589 176.736 177.300 0.042 0.000 1.175 910 P CA 0.257 63.309 63.100 -0.079 0.000 0.761 910 P CB 0.227 31.797 31.700 -0.217 0.000 0.794 911 L N 2.046 123.284 121.223 0.025 0.000 2.483 911 L HA 0.273 4.613 4.340 0.000 0.000 0.276 911 L C 1.353 178.243 176.870 0.034 0.000 1.213 911 L CA 0.111 54.963 54.840 0.020 0.000 0.843 911 L CB -0.148 41.908 42.059 -0.005 0.000 1.107 911 L HN 0.437 nan 8.230 nan 0.000 0.487 912 G N 1.002 109.805 108.800 0.006 0.000 2.370 912 G HA2 0.251 4.211 3.960 0.000 0.000 0.317 912 G HA3 0.251 4.211 3.960 0.000 0.000 0.317 912 G C 0.077 174.961 174.900 -0.028 0.000 1.162 912 G CA -0.408 44.684 45.100 -0.014 0.000 0.922 912 G HN 0.789 nan 8.290 nan 0.000 0.454 913 N N 2.364 121.049 118.700 -0.025 0.000 2.716 913 N HA -0.213 4.527 4.740 0.000 0.000 0.250 913 N C 0.470 175.964 175.510 -0.028 0.000 1.033 913 N CA 1.131 54.165 53.050 -0.027 0.000 0.727 913 N CB -0.666 37.800 38.487 -0.035 0.000 0.950 913 N HN 0.831 nan 8.380 nan 0.000 0.541 914 N N -2.055 116.632 118.700 -0.021 0.000 2.800 914 N HA -0.224 4.516 4.740 0.000 0.000 0.250 914 N C 0.121 175.610 175.510 -0.036 0.000 1.078 914 N CA 1.833 54.868 53.050 -0.024 0.000 0.804 914 N CB -0.575 37.898 38.487 -0.023 0.000 1.135 914 N HN 0.868 nan 8.380 nan 0.000 0.565 915 R N -1.234 119.241 120.500 -0.043 0.000 2.799 915 R HA 0.883 5.223 4.340 0.000 0.000 0.270 915 R C -1.358 174.901 176.300 -0.067 0.000 1.010 915 R CA -0.513 55.549 56.100 -0.063 0.000 0.916 915 R CB 1.591 31.844 30.300 -0.079 0.000 1.228 915 R HN -0.002 nan 8.270 nan 0.000 0.469 916 A N 0.901 123.666 122.820 -0.093 0.000 2.587 916 A HA 0.673 4.993 4.320 0.000 0.000 0.293 916 A C -1.744 175.732 177.584 -0.180 0.000 1.087 916 A CA -0.792 51.186 52.037 -0.098 0.000 0.692 916 A CB 1.975 20.953 19.000 -0.036 0.000 1.291 916 A HN 0.797 nan 8.150 nan 0.000 0.407 917 D N -0.537 119.715 120.400 -0.247 0.000 2.661 917 D HA 0.640 5.280 4.640 0.000 0.000 0.228 917 D C -0.461 175.730 176.300 -0.181 0.000 1.183 917 D CA -0.079 53.695 54.000 -0.376 0.000 0.844 917 D CB 2.489 42.756 40.800 -0.888 0.000 1.555 917 D HN 0.974 nan 8.370 nan 0.000 0.453 918 G N 0.042 108.786 108.800 -0.093 0.000 2.692 918 G HA2 0.610 4.570 3.960 0.000 0.000 0.291 918 G HA3 0.610 4.570 3.960 0.000 0.000 0.291 918 G C -1.564 173.388 174.900 0.087 0.000 1.423 918 G CA -0.584 44.556 45.100 0.067 0.000 0.843 918 G HN 0.363 nan 8.290 nan 0.000 0.486 919 M N 0.492 120.188 119.600 0.160 0.000 2.421 919 M HA 0.628 5.108 4.480 0.000 0.000 0.287 919 M C -1.961 174.461 176.300 0.204 0.000 1.183 919 M CA -0.653 54.749 55.300 0.170 0.000 0.916 919 M CB 2.180 34.886 32.600 0.176 0.000 1.701 919 M HN 0.751 nan 8.290 nan 0.000 0.470 920 C N 4.332 123.766 119.300 0.223 0.000 2.516 920 C HA 0.528 4.988 4.460 0.000 0.000 0.338 920 C C -1.213 173.839 174.990 0.104 0.000 1.132 920 C CA -0.517 58.609 59.018 0.179 0.000 1.310 920 C CB 0.957 28.845 27.740 0.247 0.000 1.898 920 C HN 0.904 nan 8.230 nan 0.000 0.452 921 Y N 5.867 126.107 120.300 -0.100 0.000 2.319 921 Y HA 0.689 5.239 4.550 0.000 0.000 0.328 921 Y C -0.772 175.075 175.900 -0.089 0.000 1.133 921 Y CA 0.003 57.951 58.100 -0.253 0.000 1.265 921 Y CB 0.534 38.711 38.460 -0.470 0.000 1.218 921 Y HN 0.666 nan 8.280 nan 0.000 0.508 922 L N 6.963 127.752 121.223 -0.724 0.000 2.438 922 L HA 0.426 4.767 4.340 0.000 0.000 0.270 922 L C -1.293 175.097 176.870 -0.801 0.000 0.972 922 L CA -0.793 53.767 54.840 -0.467 0.000 0.831 922 L CB 1.939 43.966 42.059 -0.054 0.000 1.273 922 L HN 0.815 nan 8.230 nan 0.000 0.405 923 D N -0.036 119.903 120.400 -0.768 0.000 2.825 923 D HA 0.142 4.782 4.640 0.000 0.000 0.327 923 D C -0.325 175.367 176.300 -1.014 0.000 1.277 923 D CA -0.528 52.901 54.000 -0.953 0.000 0.950 923 D CB 0.599 41.199 40.800 -0.335 0.000 1.438 923 D HN 0.439 nan 8.370 nan 0.000 0.526 924 D N -1.302 118.766 120.400 -0.554 0.000 2.344 924 D HA 0.241 4.882 4.640 0.000 0.000 0.242 924 D C 1.515 177.821 176.300 0.011 0.000 1.159 924 D CA 0.446 54.349 54.000 -0.161 0.000 0.859 924 D CB -0.564 40.297 40.800 0.102 0.000 0.925 924 D HN 0.884 nan 8.370 nan 0.000 0.510 925 G N -0.632 108.167 108.800 -0.002 0.000 2.196 925 G HA2 -0.221 3.739 3.960 0.000 0.000 0.268 925 G HA3 -0.221 3.739 3.960 0.000 0.000 0.268 925 G C 1.163 176.083 174.900 0.034 0.000 0.975 925 G CA 0.423 45.527 45.100 0.008 0.000 0.648 925 G HN 1.516 nan 8.290 nan 0.000 0.538 926 G N -2.455 106.414 108.800 0.115 0.000 2.168 926 G HA2 -0.075 3.885 3.960 0.000 0.000 0.197 926 G HA3 -0.075 3.885 3.960 0.000 0.000 0.197 926 G C 1.224 176.304 174.900 0.299 0.000 0.997 926 G CA 0.994 46.165 45.100 0.120 0.000 0.658 926 G HN 1.384 nan 8.290 nan 0.000 0.513 927 V N 1.142 121.268 119.914 0.354 0.000 2.317 927 V HA -0.054 4.067 4.120 0.000 0.000 0.251 927 V C 2.085 178.232 176.094 0.088 0.000 1.065 927 V CA 2.935 65.339 62.300 0.174 0.000 1.049 927 V CB -0.740 31.115 31.823 0.052 0.000 0.651 927 V HN 1.150 nan 8.190 nan 0.000 0.450 928 T N -3.306 111.300 114.554 0.087 0.000 2.927 928 T HA 0.405 4.755 4.350 0.000 0.000 0.286 928 T C 0.500 175.236 174.700 0.060 0.000 1.040 928 T CA 0.197 62.332 62.100 0.059 0.000 1.010 928 T CB 1.747 70.646 68.868 0.052 0.000 1.177 928 T HN 0.271 nan 8.240 nan 0.000 0.546 929 T N -2.084 112.495 114.554 0.042 0.000 3.214 929 T HA 0.265 4.615 4.350 0.000 0.000 0.264 929 T C 0.893 175.621 174.700 0.047 0.000 1.012 929 T CA -0.402 61.718 62.100 0.034 0.000 0.901 929 T CB -1.021 67.855 68.868 0.015 0.000 1.070 929 T HN 0.636 nan 8.240 nan 0.000 0.561 930 N N 1.473 120.210 118.700 0.062 0.000 2.244 930 N HA 0.052 4.792 4.740 0.000 0.000 0.183 930 N C 2.259 177.841 175.510 0.120 0.000 1.016 930 N CA 0.934 54.029 53.050 0.076 0.000 0.866 930 N CB -0.207 38.324 38.487 0.073 0.000 0.980 930 N HN 0.547 nan 8.380 nan 0.000 0.430 931 A N 2.114 125.021 122.820 0.146 0.000 1.873 931 A HA -0.230 4.090 4.320 0.000 0.000 0.218 931 A C 2.085 179.814 177.584 0.242 0.000 1.193 931 A CA 1.809 54.004 52.037 0.264 0.000 0.629 931 A CB -0.472 18.651 19.000 0.206 0.000 0.826 931 A HN 0.477 nan 8.150 nan 0.000 0.447 932 E N -0.783 119.473 120.200 0.093 0.000 2.299 932 E HA -0.114 4.236 4.350 0.000 0.000 0.193 932 E C 0.459 177.084 176.600 0.043 0.000 0.998 932 E CA 1.213 57.631 56.400 0.031 0.000 0.851 932 E CB -0.340 29.339 29.700 -0.035 0.000 0.795 932 E HN 0.537 nan 8.360 nan 0.000 0.492 933 D N 0.934 121.365 120.400 0.052 0.000 2.277 933 D HA 0.037 4.677 4.640 0.000 0.000 0.209 933 D C 0.645 176.974 176.300 0.048 0.000 0.970 933 D CA 0.669 54.690 54.000 0.035 0.000 0.874 933 D CB 0.053 40.868 40.800 0.025 0.000 0.982 933 D HN 0.257 nan 8.370 nan 0.000 0.504 934 N N -1.302 117.442 118.700 0.073 0.000 2.143 934 N HA 0.277 5.017 4.740 0.000 0.000 0.229 934 N C 0.635 176.185 175.510 0.068 0.000 1.294 934 N CA 0.337 53.422 53.050 0.059 0.000 0.883 934 N CB 2.115 40.629 38.487 0.044 0.000 1.148 934 N HN 0.050 nan 8.380 nan 0.000 0.511 935 G N 1.292 110.176 108.800 0.140 0.000 2.143 935 G HA2 -0.273 3.687 3.960 0.000 0.000 0.248 935 G HA3 -0.273 3.687 3.960 0.000 0.000 0.248 935 G C -0.104 174.775 174.900 -0.034 0.000 0.991 935 G CA -0.091 45.075 45.100 0.110 0.000 0.689 935 G HN 0.053 nan 8.290 nan 0.000 0.522 936 K N 0.491 120.961 120.400 0.118 0.000 2.243 936 K HA 0.462 4.782 4.320 0.000 0.000 0.232 936 K C 0.160 176.859 176.600 0.165 0.000 1.237 936 K CA 0.151 56.482 56.287 0.075 0.000 1.161 936 K CB -1.153 31.407 32.500 0.099 0.000 1.505 936 K HN 0.720 nan 8.250 nan 0.000 0.271 937 F N -2.926 116.995 119.950 -0.048 0.000 2.711 937 F HA 0.625 5.153 4.527 0.000 0.000 0.313 937 F C -0.580 175.088 175.800 -0.219 0.000 1.141 937 F CA -1.147 56.740 58.000 -0.189 0.000 0.941 937 F CB 1.137 39.998 39.000 -0.231 0.000 1.349 937 F HN -0.174 nan 8.300 nan 0.000 0.464 938 S N 0.438 116.042 115.700 -0.160 0.000 2.548 938 S HA 0.760 5.230 4.470 0.000 0.000 0.286 938 S C -1.444 173.102 174.600 -0.090 0.000 1.098 938 S CA -0.758 57.336 58.200 -0.178 0.000 0.930 938 S CB 2.093 65.114 63.200 -0.298 0.000 1.070 938 S HN 0.609 nan 8.310 nan 0.000 0.480 939 V N 2.853 122.778 119.914 0.019 0.000 2.327 939 V HA 0.297 4.417 4.120 0.000 0.000 0.272 939 V C -0.379 175.778 176.094 0.104 0.000 1.019 939 V CA -0.652 61.664 62.300 0.027 0.000 0.814 939 V CB 1.176 33.038 31.823 0.064 0.000 1.040 939 V HN 0.708 nan 8.190 nan 0.000 0.440 940 V N 5.042 125.031 119.914 0.126 0.000 2.555 940 V HA 0.296 4.416 4.120 0.000 0.000 0.286 940 V C 0.424 176.573 176.094 0.092 0.000 1.044 940 V CA -0.106 62.278 62.300 0.140 0.000 1.026 940 V CB 1.109 33.050 31.823 0.197 0.000 0.981 940 V HN 0.704 nan 8.190 nan 0.000 0.480 941 K N 3.107 123.518 120.400 0.020 0.000 2.259 941 K HA 0.779 5.099 4.320 0.000 0.000 0.252 941 K C -1.336 175.115 176.600 -0.249 0.000 0.936 941 K CA -0.663 55.592 56.287 -0.054 0.000 0.810 941 K CB 2.566 35.054 32.500 -0.019 0.000 1.143 941 K HN 0.447 nan 8.250 nan 0.000 0.427 942 V N 1.007 120.710 119.914 -0.352 0.000 2.760 942 V HA 0.804 4.924 4.120 0.000 0.000 0.309 942 V C -1.761 174.096 176.094 -0.396 0.000 1.077 942 V CA -0.406 61.508 62.300 -0.643 0.000 0.910 942 V CB 1.808 32.943 31.823 -1.148 0.000 1.008 942 V HN 0.906 nan 8.190 nan 0.000 0.424 943 A N 5.030 127.629 122.820 -0.368 0.000 2.393 943 A HA 1.010 5.330 4.320 0.000 0.000 0.306 943 A C -0.450 177.009 177.584 -0.208 0.000 1.050 943 A CA -0.132 51.758 52.037 -0.245 0.000 0.724 943 A CB 1.842 20.730 19.000 -0.186 0.000 1.248 943 A HN 2.073 nan 8.150 nan 0.000 0.424 944 A N 1.954 124.680 122.820 -0.157 0.000 2.342 944 A HA 0.780 5.101 4.320 0.000 0.000 0.323 944 A C -0.532 177.000 177.584 -0.086 0.000 1.125 944 A CA -0.433 51.539 52.037 -0.109 0.000 0.785 944 A CB 0.847 19.795 19.000 -0.087 0.000 1.221 944 A HN 0.779 nan 8.150 nan 0.000 0.463 945 E N 0.904 121.064 120.200 -0.066 0.000 2.256 945 E HA 0.386 4.736 4.350 0.000 0.000 0.268 945 E C -1.345 175.231 176.600 -0.040 0.000 0.877 945 E CA -0.698 55.670 56.400 -0.053 0.000 0.757 945 E CB 2.204 31.873 29.700 -0.051 0.000 1.183 945 E HN 0.607 nan 8.360 nan 0.000 0.418 946 Q N 2.299 122.078 119.800 -0.034 0.000 2.314 946 Q HA 0.239 4.579 4.340 0.000 0.000 0.259 946 Q C -1.631 174.355 176.000 -0.023 0.000 0.951 946 Q CA -0.346 55.440 55.803 -0.027 0.000 0.909 946 Q CB 1.037 29.760 28.738 -0.024 0.000 1.236 946 Q HN 0.309 nan 8.270 nan 0.000 0.444 947 D N 3.561 123.949 120.400 -0.021 0.000 2.421 947 D HA 0.493 5.133 4.640 0.000 0.000 0.254 947 D C 0.516 176.806 176.300 -0.016 0.000 1.238 947 D CA 0.725 54.714 54.000 -0.018 0.000 0.919 947 D CB 0.586 41.375 40.800 -0.018 0.000 1.152 947 D HN 0.693 nan 8.370 nan 0.000 0.552 948 G N 3.577 112.369 108.800 -0.014 0.000 2.596 948 G HA2 -0.290 3.670 3.960 0.000 0.000 0.304 948 G HA3 -0.290 3.670 3.960 0.000 0.000 0.304 948 G C 0.942 175.834 174.900 -0.014 0.000 1.189 948 G CA 0.342 45.434 45.100 -0.012 0.000 0.986 948 G HN 0.918 nan 8.290 nan 0.000 0.548 949 G N -0.183 108.608 108.800 -0.014 0.000 3.189 949 G HA2 0.458 4.418 3.960 0.000 0.000 0.225 949 G HA3 0.458 4.418 3.960 0.000 0.000 0.225 949 G C 0.432 175.320 174.900 -0.020 0.000 1.159 949 G CA 1.420 46.511 45.100 -0.016 0.000 0.763 949 G HN 0.961 nan 8.290 nan 0.000 0.549 950 T N 0.499 115.042 114.554 -0.019 0.000 2.779 950 T HA 0.442 4.792 4.350 0.000 0.000 0.280 950 T C -0.850 173.837 174.700 -0.020 0.000 0.987 950 T CA -0.412 61.676 62.100 -0.019 0.000 0.966 950 T CB 2.439 71.298 68.868 -0.015 0.000 0.933 950 T HN 0.232 nan 8.240 nan 0.000 0.442 951 E N 2.531 122.717 120.200 -0.023 0.000 2.145 951 E HA 0.394 4.744 4.350 0.000 0.000 0.270 951 E C -0.933 175.656 176.600 -0.018 0.000 0.906 951 E CA -0.613 55.772 56.400 -0.025 0.000 0.761 951 E CB 0.810 30.490 29.700 -0.032 0.000 1.116 951 E HN 0.459 nan 8.360 nan 0.000 0.408 952 T N 5.526 120.068 114.554 -0.020 0.000 2.771 952 T HA 0.435 4.785 4.350 0.000 0.000 0.281 952 T C -0.007 174.676 174.700 -0.028 0.000 0.982 952 T CA -0.427 61.666 62.100 -0.012 0.000 0.978 952 T CB 0.373 69.234 68.868 -0.011 0.000 0.930 952 T HN 0.390 nan 8.240 nan 0.000 0.447 953 I N 3.308 123.871 120.570 -0.012 0.000 2.382 953 I HA 0.308 4.479 4.170 0.000 0.000 0.285 953 I C 0.010 176.110 176.117 -0.027 0.000 1.007 953 I CA -0.598 60.677 61.300 -0.043 0.000 1.142 953 I CB 1.503 39.504 38.000 0.002 0.000 1.289 953 I HN 0.505 nan 8.210 nan 0.000 0.453 954 T N 6.134 120.608 114.554 -0.133 0.000 2.786 954 T HA 0.503 4.853 4.350 0.000 0.000 0.283 954 T C -0.480 174.078 174.700 -0.237 0.000 0.992 954 T CA -0.348 61.702 62.100 -0.085 0.000 0.954 954 T CB 0.668 69.493 68.868 -0.073 0.000 0.934 954 T HN 0.090 nan 8.240 nan 0.000 0.440 955 F N 2.936 122.818 119.950 -0.113 0.000 2.408 955 F HA 0.552 5.079 4.527 0.000 0.000 0.344 955 F C 1.366 177.086 175.800 -0.133 0.000 1.112 955 F CA -0.349 57.548 58.000 -0.172 0.000 1.096 955 F CB 1.474 40.338 39.000 -0.228 0.000 1.129 955 F HN 0.612 nan 8.300 nan 0.000 0.486 956 T N -0.068 114.489 114.554 0.006 0.000 2.669 956 T HA 0.747 5.097 4.350 0.000 0.000 0.283 956 T C -1.166 173.547 174.700 0.022 0.000 1.019 956 T CA -1.102 61.000 62.100 0.004 0.000 1.039 956 T CB 2.077 70.938 68.868 -0.013 0.000 1.374 956 T HN 0.630 nan 8.240 nan 0.000 0.523 957 N N -1.476 117.245 118.700 0.035 0.000 2.504 957 N HA 0.375 5.116 4.740 0.000 0.000 0.268 957 N C -0.720 174.840 175.510 0.083 0.000 1.184 957 N CA -0.770 52.327 53.050 0.079 0.000 0.875 957 N CB 1.196 39.759 38.487 0.127 0.000 1.630 957 N HN 0.391 nan 8.380 nan 0.000 0.486 958 D N -0.236 120.231 120.400 0.111 0.000 2.194 958 D HA 0.063 4.703 4.640 0.000 0.000 0.204 958 D C 0.451 176.805 176.300 0.090 0.000 0.964 958 D CA 1.071 55.146 54.000 0.124 0.000 0.846 958 D CB -0.169 40.751 40.800 0.201 0.000 0.962 958 D HN 0.741 nan 8.370 nan 0.000 0.490 959 C N -2.228 117.112 119.300 0.067 0.000 3.311 959 C HA 0.624 5.084 4.460 0.000 0.000 0.325 959 C C -1.204 173.819 174.990 0.055 0.000 1.352 959 C CA -1.223 57.795 59.018 0.000 0.000 1.308 959 C CB 0.585 28.232 27.740 -0.156 0.000 1.619 959 C HN 0.199 nan 8.230 nan 0.000 0.469 960 Y N 0.936 121.173 120.300 -0.105 0.000 2.513 960 Y HA 0.419 4.970 4.550 0.000 0.000 0.341 960 Y C 0.889 176.738 175.900 -0.084 0.000 1.075 960 Y CA -0.079 57.975 58.100 -0.076 0.000 1.190 960 Y CB 0.433 38.865 38.460 -0.047 0.000 1.111 960 Y HN 0.829 nan 8.280 nan 0.000 0.644 961 E N 1.691 121.730 120.200 -0.270 0.000 2.481 961 E HA -0.008 4.343 4.350 0.000 0.000 0.198 961 E C -1.011 175.477 176.600 -0.187 0.000 1.027 961 E CA 0.246 56.523 56.400 -0.204 0.000 0.900 961 E CB 0.545 30.114 29.700 -0.220 0.000 0.993 961 E HN 0.495 nan 8.360 nan 0.000 0.482 962 Y N 0.979 121.010 120.300 -0.448 0.000 2.328 962 Y HA 0.270 4.820 4.550 0.000 0.000 0.333 962 Y C -0.519 175.068 175.900 -0.520 0.000 0.958 962 Y CA -0.944 56.942 58.100 -0.356 0.000 1.167 962 Y CB 0.985 39.293 38.460 -0.253 0.000 1.151 962 Y HN -0.366 nan 8.280 nan 0.000 0.470 963 V N 8.442 127.844 119.914 -0.853 0.000 2.387 963 V HA -0.001 4.120 4.120 0.000 0.000 0.260 963 V C 0.034 175.795 176.094 -0.555 0.000 1.054 963 V CA -0.391 61.616 62.300 -0.487 0.000 0.967 963 V CB -0.697 30.997 31.823 -0.215 0.000 1.036 963 V HN 0.692 nan 8.190 nan 0.000 0.481 964 F N 4.510 124.328 119.950 -0.220 0.000 2.571 964 F HA 0.341 4.868 4.527 0.001 0.000 0.390 964 F C 1.364 177.176 175.800 0.020 0.000 1.043 964 F CA -0.047 57.969 58.000 0.026 0.000 1.164 964 F CB 0.736 39.855 39.000 0.200 0.000 1.049 964 F HN 0.515 nan 8.300 nan 0.000 0.552 965 G N 4.243 112.758 108.800 -0.476 0.000 3.327 965 G HA2 0.434 4.394 3.960 0.000 0.000 0.240 965 G HA3 0.434 4.394 3.960 0.000 0.000 0.240 965 G C 0.311 175.041 174.900 -0.283 0.000 1.222 965 G CA 0.292 45.213 45.100 -0.299 0.000 0.871 965 G HN 1.028 nan 8.290 nan 0.000 0.525 966 G N -0.383 108.212 108.800 -0.343 0.000 2.725 966 G HA2 0.686 4.646 3.960 0.000 0.000 0.288 966 G HA3 0.686 4.646 3.960 0.000 0.000 0.288 966 G C -3.109 171.967 174.900 0.293 0.000 1.399 966 G CA -1.284 43.785 45.100 -0.051 0.000 0.859 966 G HN -0.054 nan 8.290 nan 0.000 0.479 967 P HA 0.317 nan 4.420 nan 0.000 0.269 967 P C -0.948 176.622 177.300 0.450 0.000 1.215 967 P CA -0.009 63.224 63.100 0.222 0.000 0.780 967 P CB 0.607 32.330 31.700 0.038 0.000 0.898 968 F N 0.252 120.286 119.950 0.139 0.000 2.618 968 F HA 0.747 5.274 4.527 0.000 0.000 0.332 968 F C -1.253 174.591 175.800 0.072 0.000 1.061 968 F CA -1.510 56.629 58.000 0.232 0.000 0.974 968 F CB 1.055 40.163 39.000 0.180 0.000 1.310 968 F HN 0.191 nan 8.300 nan 0.000 0.491 969 Y N 0.346 120.879 120.300 0.388 0.000 2.499 969 Y HA 0.676 5.226 4.550 0.000 0.000 0.347 969 Y C -0.886 175.294 175.900 0.468 0.000 0.987 969 Y CA -1.418 56.881 58.100 0.332 0.000 1.044 969 Y CB 2.434 41.209 38.460 0.525 0.000 1.245 969 Y HN 0.531 nan 8.280 nan 0.000 0.461 970 V N 3.299 123.491 119.914 0.464 0.000 2.417 970 V HA 0.482 4.602 4.120 0.000 0.000 0.291 970 V C -0.477 175.729 176.094 0.187 0.000 1.024 970 V CA -0.978 61.562 62.300 0.400 0.000 0.861 970 V CB 1.542 33.576 31.823 0.352 0.000 0.985 970 V HN 0.695 nan 8.190 nan 0.000 0.436 971 R N 4.132 124.619 120.500 -0.022 0.000 2.272 971 R HA 0.564 4.904 4.340 0.000 0.000 0.323 971 R C -1.524 174.581 176.300 -0.325 0.000 1.002 971 R CA -0.380 55.454 56.100 -0.443 0.000 0.900 971 R CB 1.460 31.159 30.300 -1.002 0.000 1.151 971 R HN 0.562 nan 8.270 nan 0.000 0.507 972 V N 6.050 125.819 119.914 -0.242 0.000 2.368 972 V HA 0.305 4.425 4.120 0.000 0.000 0.266 972 V C 0.653 176.614 176.094 -0.221 0.000 1.045 972 V CA -0.607 61.583 62.300 -0.183 0.000 0.899 972 V CB 0.876 32.636 31.823 -0.105 0.000 1.006 972 V HN 0.604 nan 8.190 nan 0.000 0.470 973 R N 3.359 123.707 120.500 -0.253 0.000 2.438 973 R HA 0.373 4.713 4.340 0.000 0.000 0.287 973 R C 1.331 177.541 176.300 -0.151 0.000 1.077 973 R CA 0.694 56.656 56.100 -0.229 0.000 1.034 973 R CB 0.723 30.832 30.300 -0.318 0.000 0.993 973 R HN 1.113 nan 8.270 nan 0.000 0.459 974 G N 0.542 109.278 108.800 -0.106 0.000 2.148 974 G HA2 -0.286 3.674 3.960 0.000 0.000 0.254 974 G HA3 -0.286 3.674 3.960 0.000 0.000 0.254 974 G C 0.014 174.879 174.900 -0.059 0.000 0.981 974 G CA 0.346 45.406 45.100 -0.066 0.000 0.670 974 G HN 0.856 nan 8.290 nan 0.000 0.528 975 A N -1.069 121.705 122.820 -0.076 0.000 2.337 975 A HA 0.929 5.250 4.320 0.000 0.000 0.331 975 A C 0.222 177.766 177.584 -0.067 0.000 1.137 975 A CA -0.158 51.837 52.037 -0.069 0.000 0.807 975 A CB 1.557 20.509 19.000 -0.080 0.000 1.250 975 A HN 0.220 nan 8.150 nan 0.000 0.468 976 Q N -0.221 119.544 119.800 -0.057 0.000 3.042 976 Q HA 0.351 4.692 4.340 0.000 0.000 0.293 976 Q C 0.001 175.976 176.000 -0.041 0.000 1.017 976 Q CA -0.499 55.276 55.803 -0.047 0.000 0.647 976 Q CB 0.207 28.925 28.738 -0.033 0.000 3.832 976 Q HN 0.682 nan 8.270 nan 0.000 0.295 977 S N 3.124 118.818 115.700 -0.010 0.000 2.498 977 S HA 0.247 4.717 4.470 0.000 0.000 0.281 977 S C -2.088 172.482 174.600 -0.050 0.000 1.265 977 S CA -0.781 57.426 58.200 0.013 0.000 1.071 977 S CB 0.096 63.331 63.200 0.058 0.000 0.894 977 S HN 0.158 nan 8.310 nan 0.000 0.491 978 P HA 0.388 nan 4.420 nan 0.000 0.283 978 P C 0.099 177.346 177.300 -0.090 0.000 1.271 978 P CA -0.718 62.283 63.100 -0.164 0.000 0.841 978 P CB 1.377 32.881 31.700 -0.328 0.000 1.122 979 S N -0.702 114.967 115.700 -0.052 0.000 2.486 979 S HA 0.082 4.552 4.470 0.000 0.000 0.220 979 S C 0.704 175.307 174.600 0.006 0.000 1.011 979 S CA -0.015 58.183 58.200 -0.002 0.000 0.921 979 S CB -0.269 62.933 63.200 0.004 0.000 0.785 979 S HN 0.672 nan 8.310 nan 0.000 0.517 980 N N -0.012 118.666 118.700 -0.037 0.000 2.555 980 N HA 0.362 5.103 4.740 0.000 0.000 0.265 980 N C -2.254 173.223 175.510 -0.054 0.000 1.135 980 N CA -0.426 52.618 53.050 -0.009 0.000 0.925 980 N CB 1.702 40.205 38.487 0.027 0.000 1.662 980 N HN 0.135 nan 8.380 nan 0.000 0.489 981 I N 2.328 122.881 120.570 -0.028 0.000 2.466 981 I HA 0.236 4.407 4.170 0.000 0.000 0.289 981 I C -0.782 175.391 176.117 0.094 0.000 1.026 981 I CA -0.669 60.623 61.300 -0.013 0.000 1.078 981 I CB 1.731 39.673 38.000 -0.096 0.000 1.249 981 I HN 0.524 nan 8.210 nan 0.000 0.429 982 H N 5.545 124.617 119.070 0.003 0.000 2.469 982 H HA 0.655 5.211 4.556 0.000 0.000 0.342 982 H C -1.477 173.864 175.328 0.021 0.000 1.115 982 H CA -0.468 55.590 56.048 0.017 0.000 1.204 982 H CB 1.735 31.503 29.762 0.011 0.000 1.492 982 H HN 0.255 nan 8.280 nan 0.000 0.499 983 V N 4.501 124.070 119.914 -0.575 0.000 2.407 983 V HA 0.282 4.402 4.120 0.000 0.000 0.291 983 V C -0.113 175.698 176.094 -0.473 0.000 1.018 983 V CA -0.694 61.392 62.300 -0.356 0.000 0.842 983 V CB 1.231 32.945 31.823 -0.182 0.000 0.996 983 V HN 0.838 nan 8.190 nan 0.000 0.426 984 S N 3.739 119.302 115.700 -0.229 0.000 2.489 984 S HA 0.788 5.259 4.470 0.000 0.000 0.291 984 S C -0.375 174.201 174.600 -0.039 0.000 1.151 984 S CA -0.201 57.948 58.200 -0.084 0.000 1.082 984 S CB 1.257 64.494 63.200 0.062 0.000 1.019 984 S HN 0.926 nan 8.310 nan 0.000 0.492 985 S N 2.460 118.142 115.700 -0.030 0.000 2.543 985 S HA 0.519 4.989 4.470 0.000 0.000 0.274 985 S C 0.844 175.433 174.600 -0.018 0.000 1.149 985 S CA -0.079 58.106 58.200 -0.026 0.000 0.866 985 S CB 0.808 63.985 63.200 -0.039 0.000 1.111 985 S HN 0.925 nan 8.310 nan 0.000 0.457 986 G N 1.639 110.426 108.800 -0.021 0.000 2.535 986 G HA2 0.142 4.103 3.960 0.000 0.000 0.218 986 G HA3 0.142 4.103 3.960 0.000 0.000 0.218 986 G C 1.025 175.913 174.900 -0.020 0.000 1.122 986 G CA 0.745 45.835 45.100 -0.017 0.000 0.769 986 G HN 1.115 nan 8.290 nan 0.000 0.549 987 A N -0.416 122.388 122.820 -0.028 0.000 2.307 987 A HA 0.595 4.915 4.320 0.000 0.000 0.218 987 A C 1.086 178.658 177.584 -0.020 0.000 1.228 987 A CA 0.845 52.867 52.037 -0.025 0.000 0.857 987 A CB -0.310 18.671 19.000 -0.032 0.000 0.897 987 A HN 1.595 nan 8.150 nan 0.000 0.495 988 G N -1.101 107.688 108.800 -0.019 0.000 2.841 988 G HA2 0.201 4.161 3.960 0.000 0.000 0.684 988 G HA3 0.201 4.161 3.960 0.000 0.000 0.684 988 G C -0.624 174.259 174.900 -0.030 0.000 1.273 988 G CA -0.367 44.723 45.100 -0.016 0.000 0.811 988 G HN 0.543 nan 8.290 nan 0.000 0.631 989 S N 0.770 116.458 115.700 -0.020 0.000 2.565 989 S HA 0.866 5.336 4.470 0.000 0.000 0.290 989 S C 0.117 174.685 174.600 -0.053 0.000 1.150 989 S CA -0.235 57.930 58.200 -0.058 0.000 1.058 989 S CB 1.817 65.026 63.200 0.015 0.000 1.032 989 S HN 1.172 nan 8.310 nan 0.000 0.510 990 Q N 0.388 120.101 119.800 -0.145 0.000 2.522 990 Q HA 0.515 4.855 4.340 0.000 0.000 0.285 990 Q C -2.139 173.810 176.000 -0.084 0.000 0.982 990 Q CA -0.977 54.791 55.803 -0.059 0.000 0.805 990 Q CB 0.893 29.612 28.738 -0.032 0.000 1.457 990 Q HN 0.332 nan 8.270 nan 0.000 0.394 991 D N 1.706 122.147 120.400 0.068 0.000 2.264 991 D HA 0.332 4.972 4.640 0.000 0.000 0.249 991 D C -0.152 176.203 176.300 0.091 0.000 1.070 991 D CA -0.063 54.008 54.000 0.118 0.000 0.912 991 D CB 0.973 41.873 40.800 0.166 0.000 1.193 991 D HN 0.506 nan 8.370 nan 0.000 0.427 992 M N 1.054 120.734 119.600 0.135 0.000 2.291 992 M HA 0.263 4.743 4.480 0.000 0.000 0.324 992 M C 0.449 176.909 176.300 0.268 0.000 1.148 992 M CA -0.323 55.096 55.300 0.198 0.000 1.104 992 M CB 1.033 33.812 32.600 0.297 0.000 1.483 992 M HN 0.197 nan 8.290 nan 0.000 0.467 993 K N -0.212 120.275 120.400 0.146 0.000 2.395 993 K HA 0.643 4.963 4.320 0.000 0.000 0.247 993 K C -1.021 175.258 176.600 -0.534 0.000 0.973 993 K CA -1.046 55.232 56.287 -0.014 0.000 0.828 993 K CB 1.971 34.452 32.500 -0.032 0.000 1.272 993 K HN 0.448 nan 8.250 nan 0.000 0.439 994 V N 1.628 121.082 119.914 -0.767 0.000 2.529 994 V HA 0.038 4.158 4.120 0.000 0.000 0.292 994 V C -0.005 175.819 176.094 -0.451 0.000 1.028 994 V CA 0.251 61.929 62.300 -1.037 0.000 1.074 994 V CB 1.024 32.515 31.823 -0.553 0.000 0.958 994 V HN 0.893 nan 8.190 nan 0.000 0.481 995 S N 4.113 119.604 115.700 -0.349 0.000 2.579 995 S HA 0.140 4.610 4.470 0.000 0.000 0.275 995 S C 1.328 175.854 174.600 -0.123 0.000 1.345 995 S CA 0.065 58.164 58.200 -0.168 0.000 1.031 995 S CB 1.111 64.251 63.200 -0.100 0.000 0.892 995 S HN 1.213 nan 8.310 nan 0.000 0.529 996 S N 2.496 118.132 115.700 -0.107 0.000 2.593 996 S HA 0.333 4.803 4.470 0.000 0.000 0.217 996 S C 0.562 175.090 174.600 -0.119 0.000 0.966 996 S CA -0.060 58.085 58.200 -0.092 0.000 0.914 996 S CB -0.217 62.938 63.200 -0.075 0.000 0.776 996 S HN 0.848 nan 8.310 nan 0.000 0.523 997 A N 2.040 124.759 122.820 -0.168 0.000 2.354 997 A HA 0.562 4.882 4.320 0.000 0.000 0.269 997 A C 0.957 178.312 177.584 -0.381 0.000 1.109 997 A CA -0.068 51.801 52.037 -0.280 0.000 0.800 997 A CB 0.369 19.165 19.000 -0.340 0.000 1.045 997 A HN 0.507 nan 8.150 nan 0.000 0.489 998 T N -1.666 112.631 114.554 -0.429 0.000 3.275 998 T HA 0.444 4.794 4.350 0.000 0.000 0.298 998 T C 0.167 174.575 174.700 -0.486 0.000 0.988 998 T CA 0.370 62.272 62.100 -0.330 0.000 0.936 998 T CB -0.909 67.924 68.868 -0.058 0.000 1.159 998 T HN 1.309 nan 8.240 nan 0.000 0.519 999 S N -0.272 114.865 115.700 -0.939 0.000 2.651 999 S HA 0.585 5.055 4.470 0.000 0.000 0.279 999 S C 0.699 174.340 174.600 -1.599 0.000 1.148 999 S CA -1.104 56.495 58.200 -1.001 0.000 0.837 999 S CB 2.516 65.419 63.200 -0.496 0.000 1.138 999 S HN 0.117 nan 8.310 nan 0.000 0.478 1000 R N 0.199 119.857 120.500 -1.403 0.000 2.075 1000 R HA -0.034 4.307 4.340 0.000 0.000 0.232 1000 R C 2.264 177.795 176.300 -1.282 0.000 1.126 1000 R CA 1.615 56.816 56.100 -1.499 0.000 0.963 1000 R CB -1.009 28.576 30.300 -1.191 0.000 0.858 1000 R HN 0.835 nan 8.270 nan 0.000 0.435 1001 A N 0.751 123.105 122.820 -0.777 0.000 1.902 1001 A HA -0.129 4.191 4.320 0.000 0.000 0.217 1001 A C 2.328 179.697 177.584 -0.358 0.000 1.181 1001 A CA 1.774 53.548 52.037 -0.439 0.000 0.623 1001 A CB -0.709 18.134 19.000 -0.261 0.000 0.818 1001 A HN 0.528 nan 8.150 nan 0.000 0.443 1002 A N -0.713 121.842 122.820 -0.442 0.000 1.898 1002 A HA 0.007 4.328 4.320 0.000 0.000 0.216 1002 A C 2.131 179.519 177.584 -0.327 0.000 1.181 1002 A CA 1.638 53.468 52.037 -0.344 0.000 0.620 1002 A CB -0.589 18.191 19.000 -0.367 0.000 0.819 1002 A HN 0.629 nan 8.150 nan 0.000 0.442 1003 L N -1.336 119.578 121.223 -0.515 0.000 2.046 1003 L HA -0.102 4.238 4.340 0.000 0.000 0.208 1003 L C 2.175 179.062 176.870 0.028 0.000 1.077 1003 L CA 1.876 56.534 54.840 -0.303 0.000 0.747 1003 L CB -0.654 41.148 42.059 -0.428 0.000 0.896 1003 L HN 0.337 nan 8.230 nan 0.000 0.432 1004 F N 0.208 120.068 119.950 -0.149 0.000 2.095 1004 F HA -0.205 4.322 4.527 0.000 0.000 0.298 1004 F C 2.540 178.345 175.800 0.009 0.000 1.104 1004 F CA 1.394 59.374 58.000 -0.033 0.000 1.232 1004 F CB -1.209 37.703 39.000 -0.146 0.000 0.987 1004 F HN 0.289 nan 8.300 nan 0.000 0.475 1005 N N -0.658 118.123 118.700 0.135 0.000 2.402 1005 N HA -0.068 4.672 4.740 0.000 0.000 0.174 1005 N C 0.872 176.394 175.510 0.020 0.000 1.027 1005 N CA 1.146 54.232 53.050 0.060 0.000 0.891 1005 N CB 0.099 38.594 38.487 0.013 0.000 1.016 1005 N HN 0.288 nan 8.380 nan 0.000 0.439 1006 D N -0.291 120.101 120.400 -0.014 0.000 2.473 1006 D HA 0.087 4.728 4.640 0.000 0.000 0.242 1006 D C 1.015 177.293 176.300 -0.036 0.000 1.106 1006 D CA 0.071 54.049 54.000 -0.036 0.000 0.854 1006 D CB 0.332 41.090 40.800 -0.070 0.000 1.192 1006 D HN 0.006 nan 8.370 nan 0.000 0.503 1007 G N 1.862 110.642 108.800 -0.033 0.000 2.484 1007 G HA2 0.211 4.171 3.960 0.000 0.000 0.235 1007 G HA3 0.211 4.171 3.960 0.000 0.000 0.235 1007 G C 0.234 175.134 174.900 0.001 0.000 1.282 1007 G CA -0.130 44.955 45.100 -0.024 0.000 0.857 1007 G HN 0.103 nan 8.290 nan 0.000 0.571 1008 E N 1.036 121.225 120.200 -0.019 0.000 2.232 1008 E HA 0.241 4.592 4.350 0.000 0.000 0.265 1008 E C -0.570 176.009 176.600 -0.034 0.000 1.001 1008 E CA -1.137 55.250 56.400 -0.021 0.000 0.870 1008 E CB 1.014 30.698 29.700 -0.027 0.000 1.175 1008 E HN 0.315 nan 8.360 nan 0.000 0.407 1009 N N 0.432 119.104 118.700 -0.047 0.000 2.411 1009 N HA 0.148 4.889 4.740 0.000 0.000 0.261 1009 N C 0.803 176.277 175.510 -0.060 0.000 1.248 1009 N CA 1.364 54.367 53.050 -0.078 0.000 0.885 1009 N CB 0.907 39.349 38.487 -0.075 0.000 1.062 1009 N HN 0.920 nan 8.380 nan 0.000 0.471 1010 G N 1.257 110.019 108.800 -0.064 0.000 2.179 1010 G HA2 -0.220 3.740 3.960 0.000 0.000 0.220 1010 G HA3 -0.220 3.740 3.960 0.000 0.000 0.220 1010 G C -0.462 174.453 174.900 0.026 0.000 0.990 1010 G CA -0.364 44.725 45.100 -0.019 0.000 0.646 1010 G HN 0.551 nan 8.290 nan 0.000 0.517 1011 D N 0.701 121.105 120.400 0.007 0.000 2.302 1011 D HA 0.592 5.232 4.640 0.000 0.000 0.248 1011 D C 0.521 176.903 176.300 0.136 0.000 1.094 1011 D CA 0.017 54.016 54.000 -0.001 0.000 0.897 1011 D CB 0.664 41.451 40.800 -0.022 0.000 1.200 1011 D HN 0.416 nan 8.370 nan 0.000 0.429 1012 F N -0.269 119.755 119.950 0.124 0.000 2.556 1012 F HA 0.749 5.276 4.527 0.000 0.000 0.327 1012 F C -1.007 174.966 175.800 0.288 0.000 1.059 1012 F CA -1.444 56.675 58.000 0.198 0.000 0.953 1012 F CB 1.174 40.261 39.000 0.144 0.000 1.227 1012 F HN 0.244 nan 8.300 nan 0.000 0.478 1013 W N 3.875 125.384 121.300 0.350 0.000 2.781 1013 W HA 0.662 5.323 4.660 0.001 0.000 0.333 1013 W C -2.155 174.552 176.519 0.313 0.000 1.047 1013 W CA -1.850 55.611 57.345 0.194 0.000 1.236 1013 W CB 1.688 31.168 29.460 0.034 0.000 1.394 1013 W HN 0.527 nan 8.180 nan 0.000 0.466 1014 V N 6.566 126.434 119.914 -0.076 0.000 2.372 1014 V HA 0.060 4.181 4.120 0.000 0.000 0.261 1014 V C -0.198 175.420 176.094 -0.794 0.000 1.055 1014 V CA -0.056 62.093 62.300 -0.250 0.000 0.930 1014 V CB 0.739 32.561 31.823 -0.003 0.000 1.031 1014 V HN 0.442 nan 8.190 nan 0.000 0.479 1015 D N 4.196 124.067 120.400 -0.882 0.000 2.485 1015 D HA 0.210 4.850 4.640 0.000 0.000 0.221 1015 D C 1.040 177.114 176.300 -0.376 0.000 1.112 1015 D CA -0.138 53.223 54.000 -1.065 0.000 0.911 1015 D CB 1.230 41.358 40.800 -1.120 0.000 1.019 1015 D HN 0.552 nan 8.370 nan 0.000 0.516 1016 Q N 1.717 121.380 119.800 -0.229 0.000 2.167 1016 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 1016 Q C 1.239 177.210 176.000 -0.048 0.000 0.970 1016 Q CA 0.971 56.719 55.803 -0.092 0.000 0.855 1016 Q CB 0.369 29.084 28.738 -0.039 0.000 0.911 1016 Q HN 0.620 nan 8.270 nan 0.000 0.438 1017 E N -0.230 119.950 120.200 -0.033 0.000 2.150 1017 E HA -0.126 4.225 4.350 0.000 0.000 0.193 1017 E C 1.448 178.056 176.600 0.013 0.000 0.985 1017 E CA 1.537 57.939 56.400 0.004 0.000 0.814 1017 E CB 0.180 29.899 29.700 0.032 0.000 0.752 1017 E HN 0.340 nan 8.360 nan 0.000 0.466 1018 T N -2.198 112.366 114.554 0.017 0.000 3.182 1018 T HA 0.079 4.429 4.350 0.000 0.000 0.277 1018 T C 0.074 174.790 174.700 0.027 0.000 1.013 1018 T CA 0.088 62.220 62.100 0.053 0.000 0.900 1018 T CB 0.225 69.169 68.868 0.126 0.000 1.098 1018 T HN -0.040 nan 8.240 nan 0.000 0.543 1019 D N 0.936 121.329 120.400 -0.013 0.000 2.697 1019 D HA -0.156 4.484 4.640 0.000 0.000 0.235 1019 D C -0.743 175.522 176.300 -0.058 0.000 1.167 1019 D CA 0.655 54.636 54.000 -0.031 0.000 0.656 1019 D CB -1.382 39.416 40.800 -0.004 0.000 1.025 1019 D HN 0.554 nan 8.370 nan 0.000 0.419 1020 S N -0.303 115.351 115.700 -0.077 0.000 2.568 1020 S HA 0.735 5.205 4.470 0.000 0.000 0.293 1020 S C -0.830 173.710 174.600 -0.101 0.000 1.089 1020 S CA -0.914 57.212 58.200 -0.124 0.000 0.945 1020 S CB 2.120 65.220 63.200 -0.166 0.000 1.077 1020 S HN 0.327 nan 8.310 nan 0.000 0.485 1021 L N 2.130 123.281 121.223 -0.119 0.000 2.325 1021 L HA 0.691 5.032 4.340 0.000 0.000 0.281 1021 L C -2.074 174.833 176.870 0.062 0.000 1.004 1021 L CA -0.171 54.673 54.840 0.006 0.000 0.823 1021 L CB 0.499 42.540 42.059 -0.031 0.000 1.236 1021 L HN 0.701 nan 8.230 nan 0.000 0.415 1022 W N 5.971 127.345 121.300 0.123 0.000 2.478 1022 W HA 0.625 5.285 4.660 0.000 0.000 0.318 1022 W C -1.162 175.556 176.519 0.331 0.000 1.062 1022 W CA -0.483 57.027 57.345 0.276 0.000 1.210 1022 W CB 1.410 31.116 29.460 0.410 0.000 1.325 1022 W HN 0.202 nan 8.180 nan 0.000 0.496 1023 L N 3.469 124.981 121.223 0.481 0.000 2.325 1023 L HA 0.376 4.716 4.340 0.000 0.000 0.281 1023 L C 0.017 176.984 176.870 0.162 0.000 1.004 1023 L CA -1.233 53.791 54.840 0.306 0.000 0.823 1023 L CB 1.424 43.581 42.059 0.162 0.000 1.236 1023 L HN 0.290 nan 8.230 nan 0.000 0.415 1024 K N 4.153 124.564 120.400 0.019 0.000 2.234 1024 K HA 0.728 5.048 4.320 0.000 0.000 0.277 1024 K C -1.362 174.997 176.600 -0.403 0.000 1.038 1024 K CA -0.352 55.694 56.287 -0.403 0.000 0.888 1024 K CB 0.603 32.958 32.500 -0.242 0.000 1.091 1024 K HN 0.546 nan 8.250 nan 0.000 0.467 1025 L N 6.346 127.169 121.223 -0.667 0.000 2.381 1025 L HA 0.558 4.898 4.340 0.000 0.000 0.268 1025 L C -2.209 174.377 176.870 -0.474 0.000 0.997 1025 L CA -2.502 51.955 54.840 -0.639 0.000 0.818 1025 L CB 2.122 43.536 42.059 -1.076 0.000 1.310 1025 L HN 0.636 nan 8.230 nan 0.000 0.416 1026 P HA 0.077 nan 4.420 nan 0.000 0.274 1026 P C -0.119 177.260 177.300 0.132 0.000 1.231 1026 P CA -0.341 62.737 63.100 -0.037 0.000 0.790 1026 P CB 0.593 32.277 31.700 -0.026 0.000 0.951 1027 N N 2.087 120.913 118.700 0.210 0.000 2.205 1027 N HA -0.153 4.587 4.740 0.000 0.000 0.186 1027 N C 1.292 176.911 175.510 0.182 0.000 1.015 1027 N CA 2.095 55.334 53.050 0.316 0.000 0.862 1027 N CB -1.844 36.804 38.487 0.268 0.000 0.986 1027 N HN 0.297 nan 8.380 nan 0.000 0.429 1028 V N -0.626 119.343 119.914 0.093 0.000 2.720 1028 V HA -0.078 4.042 4.120 0.000 0.000 0.256 1028 V C 2.248 178.325 176.094 -0.027 0.000 1.082 1028 V CA 1.528 63.839 62.300 0.018 0.000 1.101 1028 V CB -1.179 30.647 31.823 0.005 0.000 0.693 1028 V HN 0.329 nan 8.190 nan 0.000 0.479 1029 V N -3.138 116.791 119.914 0.025 0.000 3.647 1029 V HA 0.253 4.373 4.120 0.000 0.000 0.279 1029 V C 2.085 178.120 176.094 -0.097 0.000 1.314 1029 V CA 0.753 63.043 62.300 -0.017 0.000 1.125 1029 V CB 0.106 31.933 31.823 0.006 0.000 0.907 1029 V HN 0.400 nan 8.190 nan 0.000 0.434 1030 L N 1.933 123.049 121.223 -0.179 0.000 2.043 1030 L HA 0.050 4.390 4.340 0.000 0.000 0.212 1030 L C -0.169 176.375 176.870 -0.543 0.000 1.075 1030 L CA 2.570 56.992 54.840 -0.697 0.000 0.752 1030 L CB -1.635 40.008 42.059 -0.693 0.000 0.891 1030 L HN 0.307 nan 8.230 nan 0.000 0.432 1031 P HA -0.068 nan 4.420 nan 0.000 0.223 1031 P C 0.067 177.239 177.300 -0.212 0.000 1.151 1031 P CA 1.608 64.394 63.100 -0.523 0.000 0.787 1031 P CB -0.058 31.222 31.700 -0.699 0.000 0.788 1032 D N -3.518 116.797 120.400 -0.142 0.000 2.523 1032 D HA 0.105 4.745 4.640 0.000 0.000 0.269 1032 D C 0.178 176.489 176.300 0.018 0.000 1.374 1032 D CA -0.332 53.642 54.000 -0.043 0.000 0.820 1032 D CB -0.799 39.966 40.800 -0.059 0.000 1.211 1032 D HN -0.080 nan 8.370 nan 0.000 0.502 1033 A N 0.739 123.581 122.820 0.036 0.000 2.566 1033 A HA 0.418 4.739 4.320 0.000 0.000 0.245 1033 A C 0.192 177.861 177.584 0.143 0.000 1.056 1033 A CA 0.088 52.172 52.037 0.077 0.000 0.757 1033 A CB 0.366 19.409 19.000 0.072 0.000 0.979 1033 A HN 0.156 nan 8.150 nan 0.000 0.508 1034 V N 5.379 125.341 119.914 0.079 0.000 2.313 1034 V HA 0.282 4.402 4.120 0.000 0.000 0.278 1034 V C -0.109 176.027 176.094 0.070 0.000 1.017 1034 V CA -0.021 62.326 62.300 0.078 0.000 0.823 1034 V CB 0.625 32.482 31.823 0.056 0.000 1.010 1034 V HN 0.687 nan 8.190 nan 0.000 0.443 1035 I N 4.057 124.682 120.570 0.091 0.000 2.336 1035 I HA 0.452 4.622 4.170 0.000 0.000 0.292 1035 I C 0.349 176.503 176.117 0.061 0.000 0.991 1035 I CA 0.021 61.363 61.300 0.070 0.000 1.227 1035 I CB 1.884 39.946 38.000 0.102 0.000 1.366 1035 I HN 0.556 nan 8.210 nan 0.000 0.466 1036 T N 7.453 122.050 114.554 0.072 0.000 2.809 1036 T HA 0.639 4.990 4.350 0.000 0.000 0.284 1036 T C -0.673 174.047 174.700 0.034 0.000 0.992 1036 T CA -0.437 61.697 62.100 0.056 0.000 0.957 1036 T CB 0.368 69.280 68.868 0.073 0.000 0.942 1036 T HN 0.347 nan 8.240 nan 0.000 0.439 1037 I N 4.729 125.297 120.570 -0.004 0.000 2.354 1037 I HA 0.448 4.619 4.170 0.000 0.000 0.292 1037 I C 0.554 176.647 176.117 -0.040 0.000 0.989 1037 I CA -0.616 60.660 61.300 -0.041 0.000 1.188 1037 I CB 2.048 40.008 38.000 -0.066 0.000 1.342 1037 I HN 0.573 nan 8.210 nan 0.000 0.457 1038 T N 0.000 114.526 114.554 -0.047 0.000 3.816 1038 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1038 T CA 0.000 62.078 62.100 -0.037 0.000 1.349 1038 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 1038 T HN 0.000 nan 8.240 nan 0.000 0.658