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 3dxj_1_C DATA FIRST_RESID 1 DATA SEQUENCE MEIKRFGRIR EVIPLPPLTE IQVESYRRAL QADVPPEKRE NVGIQAAFRE DATA SEQUENCE TFPIEEEDKG KGGLVLDFLE YRLGEPPFPQ DECREKDLTY QAPLYARLQL DATA SEQUENCE IHKDTGLIKE DEVFLGHIPL MTEDGSFIIN GADRVIVSQI HRSPGVYFTP DATA SEQUENCE DPARPGRYIA SIIPLPKRGP WIDLEVEPNG VVSMKVNKRK FPLVLLLRVL DATA SEQUENCE GYDQETLARE LGAYGELVQG LMDESVFAMR PEEALIRLFT LLRPGDPPKR DATA SEQUENCE DKAVAYVYGL IADPRRYDLG EAGRYKAEEK LGIRLSGRTL ARFEDGEFKD DATA SEQUENCE EVFLPTLRYL FALTAGVPGH EVDDIDHLGN RRIRTVGELM TDQFRVGLAR DATA SEQUENCE LARGVRERML MGSEDSLTPA KLVNSRPLEA AIREFFSRSQ LSQFKDETNP DATA SEQUENCE LSSLRHKRRI SALGPGGLTR ERAGFDVRDV HRTHYGRICP VETPEGANIG DATA SEQUENCE LITSLAAYAR VDELGFIRTP YRRVVGGVVT DEVVYMTATE EDRYTIAQAN DATA SEQUENCE TPLEGNRIAA ERVVARRKGE PVIVSPEEVE FMDVSPKQVF SVNTNLIPFL DATA SEQUENCE EHDDANRALM GSNMQTQAVP LIRAQAPVVM TGLEERVVRD SLAALYAEED DATA SEQUENCE GEVAKVDGNR IVVRYEDGRL VEYPLRRFYR SNQGTALDQR PRVVVGQRVR DATA SEQUENCE KGDLLADGPA SENGFLALGQ NVLVAIMPFD GYNFEDAIVI SEELLKRDFY DATA SEQUENCE TSIHIERYEI EARDTKLGPE RITRDIPHLS EAALRDLDEE GVVRIGAEVK DATA SEQUENCE PGDILVGRTS FKGESEPTPE ERLLRSIFGE KARDVKDTSL RVPPGEGGIV DATA SEQUENCE VRTVRLRRGD PGVELKPGVR EVVRVYVAQK RKLQVGDKLA NRHGNKGVVA DATA SEQUENCE KILPVEDMPH LPDGTPVDVI LNPLGVPSRM NLGQILETHL GLAGYFLGQR DATA SEQUENCE YISPIFDGAK EPEIKELLAQ AFEVYFGKRK GEGFGVDKRE VEVLRRAEKL DATA SEQUENCE GLVTPGKTPE EQLKELFLQG KVVLYDGRTG EPIEGPIVVG QMFIMKLYHM DATA SEQUENCE VEDKMHARST GPYSLITQQP LGGKAQFGGQ RFGEMEVWAL EAYGAAHTLQ DATA SEQUENCE EMLTLKSDDI EGRNAAYEAI IKGEDVPEPS VPESFRVLVK ELQALALDVQ DATA SEQUENCE TLDEKDNPVD IFEGLASKR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.257 176.300 -0.073 0.000 1.140 1 M CA 0.000 55.257 55.300 -0.071 0.000 0.988 1 M CB 0.000 32.537 32.600 -0.104 0.000 1.302 2 E N 1.672 121.825 120.200 -0.079 0.000 2.179 2 E HA 0.736 5.079 4.350 -0.011 0.000 0.275 2 E C -0.851 175.683 176.600 -0.110 0.000 0.945 2 E CA -0.577 55.783 56.400 -0.066 0.000 0.792 2 E CB 1.872 31.554 29.700 -0.029 0.000 1.125 2 E HN 0.832 nan 8.360 nan 0.000 0.397 3 I N -0.933 119.584 120.570 -0.088 0.000 2.365 3 I HA 0.419 4.582 4.170 -0.011 0.000 0.291 3 I C -0.008 176.098 176.117 -0.018 0.000 1.004 3 I CA -0.567 60.676 61.300 -0.096 0.000 1.311 3 I CB 1.040 38.986 38.000 -0.090 0.000 1.401 3 I HN -0.090 nan 8.210 nan 0.000 0.491 4 K N 7.018 127.445 120.400 0.045 0.000 2.394 4 K HA 0.475 4.788 4.320 -0.011 0.000 0.260 4 K C -0.780 175.955 176.600 0.225 0.000 0.967 4 K CA -0.614 55.751 56.287 0.131 0.000 0.855 4 K CB 1.460 34.120 32.500 0.267 0.000 1.101 4 K HN 0.808 nan 8.250 nan 0.000 0.433 5 R N 2.403 122.957 120.500 0.089 0.000 2.528 5 R HA 0.464 4.797 4.340 -0.011 0.000 0.271 5 R C -0.182 176.136 176.300 0.031 0.000 1.056 5 R CA -0.348 55.849 56.100 0.163 0.000 1.117 5 R CB 0.612 30.971 30.300 0.098 0.000 1.085 5 R HN 0.304 nan 8.270 nan 0.000 0.530 6 F N -0.855 119.154 119.950 0.099 0.000 2.782 6 F HA 0.559 5.080 4.527 -0.011 0.000 0.366 6 F C 0.778 176.633 175.800 0.092 0.000 1.171 6 F CA -0.156 57.904 58.000 0.098 0.000 1.064 6 F CB 1.051 40.117 39.000 0.111 0.000 1.449 6 F HN 0.721 nan 8.300 nan 0.000 0.520 7 G N 1.149 110.153 108.800 0.340 0.000 2.955 7 G HA2 -0.070 3.883 3.960 -0.011 0.000 0.604 7 G HA3 -0.070 3.883 3.960 -0.011 0.000 0.604 7 G C -0.822 174.160 174.900 0.137 0.000 1.572 7 G CA -0.450 44.780 45.100 0.217 0.000 1.016 7 G HN 0.816 nan 8.290 nan 0.000 0.569 8 R N 0.141 120.708 120.500 0.112 0.000 2.687 8 R HA 0.531 4.865 4.340 -0.011 0.000 0.264 8 R C -0.359 175.986 176.300 0.075 0.000 1.715 8 R CA -0.477 55.672 56.100 0.081 0.000 1.633 8 R CB -0.085 30.251 30.300 0.061 0.000 1.353 8 R HN 0.577 nan 8.270 nan 0.000 0.653 9 I N 1.786 122.405 120.570 0.081 0.000 2.378 9 I HA 0.435 4.598 4.170 -0.011 0.000 0.291 9 I C 0.347 176.500 176.117 0.060 0.000 0.992 9 I CA -0.963 60.378 61.300 0.068 0.000 1.154 9 I CB 1.863 39.909 38.000 0.076 0.000 1.315 9 I HN 0.173 nan 8.210 nan 0.000 0.448 10 R N 6.721 127.248 120.500 0.045 0.000 2.419 10 R HA 0.151 4.484 4.340 -0.011 0.000 0.305 10 R C -0.474 175.848 176.300 0.038 0.000 1.242 10 R CA -0.356 55.769 56.100 0.042 0.000 1.105 10 R CB 0.170 30.490 30.300 0.033 0.000 1.116 10 R HN 0.601 nan 8.270 nan 0.000 0.523 11 E N 3.915 124.146 120.200 0.052 0.000 2.271 11 E HA -0.058 4.285 4.350 -0.011 0.000 0.255 11 E C 1.703 178.336 176.600 0.055 0.000 1.177 11 E CA -0.187 56.246 56.400 0.055 0.000 0.946 11 E CB 0.707 30.469 29.700 0.104 0.000 1.009 11 E HN 0.529 nan 8.360 nan 0.000 0.451 12 V N 2.352 122.286 119.914 0.034 0.000 2.324 12 V HA -0.188 3.926 4.120 -0.011 0.000 0.250 12 V C 1.129 177.261 176.094 0.063 0.000 1.060 12 V CA 1.248 63.572 62.300 0.040 0.000 1.042 12 V CB -0.873 30.966 31.823 0.027 0.000 0.650 12 V HN 0.586 nan 8.190 nan 0.000 0.450 13 I N -1.467 119.157 120.570 0.090 0.000 2.647 13 I HA 0.738 4.901 4.170 -0.011 0.000 0.295 13 I C -2.758 173.468 176.117 0.183 0.000 1.078 13 I CA -2.888 58.487 61.300 0.124 0.000 1.048 13 I CB 1.207 39.291 38.000 0.140 0.000 1.239 13 I HN 0.045 nan 8.210 nan 0.000 0.421 14 P HA 0.265 nan 4.420 nan 0.000 0.275 14 P C -0.424 176.928 177.300 0.087 0.000 1.270 14 P CA -0.398 62.766 63.100 0.107 0.000 0.791 14 P CB 0.603 32.332 31.700 0.049 0.000 1.089 15 L N 0.254 121.435 121.223 -0.070 0.000 2.464 15 L HA 0.317 4.650 4.340 -0.011 0.000 0.264 15 L C -1.503 175.283 176.870 -0.141 0.000 1.199 15 L CA -1.177 53.488 54.840 -0.291 0.000 0.818 15 L CB -1.290 40.558 42.059 -0.351 0.000 1.102 15 L HN 0.379 nan 8.230 nan 0.000 0.473 16 P HA 0.348 nan 4.420 nan 0.000 0.278 16 P C -2.751 174.505 177.300 -0.074 0.000 1.266 16 P CA -1.940 61.123 63.100 -0.061 0.000 0.807 16 P CB 0.148 31.838 31.700 -0.016 0.000 1.094 17 P HA 0.098 nan 4.420 nan 0.000 0.265 17 P C 0.796 178.068 177.300 -0.046 0.000 1.193 17 P CA 0.352 63.421 63.100 -0.051 0.000 0.765 17 P CB 0.339 32.015 31.700 -0.040 0.000 0.823 18 L N 2.177 123.374 121.223 -0.044 0.000 2.046 18 L HA -0.056 4.278 4.340 -0.011 0.000 0.203 18 L C 2.455 179.318 176.870 -0.012 0.000 1.111 18 L CA 1.633 56.454 54.840 -0.032 0.000 0.769 18 L CB -1.852 40.187 42.059 -0.033 0.000 0.914 18 L HN 0.373 nan 8.230 nan 0.000 0.448 19 T N -2.383 112.167 114.554 -0.007 0.000 2.946 19 T HA -0.281 4.063 4.350 -0.011 0.000 0.270 19 T C 1.504 176.213 174.700 0.015 0.000 1.129 19 T CA 1.473 63.578 62.100 0.008 0.000 1.103 19 T CB -0.674 68.196 68.868 0.004 0.000 0.839 19 T HN 0.438 nan 8.240 nan 0.000 0.544 20 E N 0.723 120.925 120.200 0.003 0.000 2.217 20 E HA -0.305 4.039 4.350 -0.011 0.000 0.219 20 E C 1.611 178.226 176.600 0.025 0.000 1.070 20 E CA 2.076 58.480 56.400 0.006 0.000 0.889 20 E CB -0.443 29.250 29.700 -0.012 0.000 0.768 20 E HN 0.625 nan 8.360 nan 0.000 0.465 21 I N 1.420 122.006 120.570 0.026 0.000 2.032 21 I HA -0.386 3.778 4.170 -0.011 0.000 0.228 21 I C 2.678 178.837 176.117 0.069 0.000 1.030 21 I CA 1.736 63.060 61.300 0.041 0.000 1.318 21 I CB -1.166 36.855 38.000 0.036 0.000 1.049 21 I HN 0.184 nan 8.210 nan 0.000 0.387 22 Q N 0.448 120.292 119.800 0.073 0.000 2.103 22 Q HA -0.259 4.075 4.340 -0.011 0.000 0.213 22 Q C 2.433 178.517 176.000 0.141 0.000 1.008 22 Q CA 2.666 58.531 55.803 0.104 0.000 0.879 22 Q CB -1.638 27.152 28.738 0.088 0.000 0.946 22 Q HN 0.684 nan 8.270 nan 0.000 0.413 23 V N -0.510 119.465 119.914 0.101 0.000 2.231 23 V HA -0.238 3.875 4.120 -0.011 0.000 0.248 23 V C 2.099 178.282 176.094 0.148 0.000 1.054 23 V CA 2.197 64.563 62.300 0.111 0.000 1.015 23 V CB -0.592 31.265 31.823 0.057 0.000 0.638 23 V HN 0.118 nan 8.190 nan 0.000 0.444 24 E N 0.556 120.821 120.200 0.108 0.000 2.072 24 E HA -0.096 4.248 4.350 -0.011 0.000 0.190 24 E C 2.560 179.239 176.600 0.132 0.000 0.982 24 E CA 1.599 58.060 56.400 0.102 0.000 0.803 24 E CB -0.776 28.959 29.700 0.058 0.000 0.755 24 E HN 0.722 nan 8.360 nan 0.000 0.453 25 S N -0.049 115.736 115.700 0.142 0.000 2.372 25 S HA -0.254 4.209 4.470 -0.011 0.000 0.227 25 S C 2.027 176.762 174.600 0.224 0.000 1.044 25 S CA 1.420 59.714 58.200 0.158 0.000 1.050 25 S CB -0.338 62.956 63.200 0.156 0.000 0.901 25 S HN 0.297 nan 8.310 nan 0.000 0.447 26 Y N 1.931 122.304 120.300 0.121 0.000 2.133 26 Y HA 0.056 4.600 4.550 -0.011 0.000 0.287 26 Y C 2.661 178.639 175.900 0.130 0.000 1.134 26 Y CA 1.937 60.132 58.100 0.158 0.000 1.133 26 Y CB -0.829 37.766 38.460 0.225 0.000 0.987 26 Y HN 0.277 nan 8.280 nan 0.000 0.502 27 R N 0.470 121.094 120.500 0.207 0.000 2.113 27 R HA -0.202 4.131 4.340 -0.011 0.000 0.244 27 R C 1.703 178.041 176.300 0.063 0.000 1.142 27 R CA 2.112 58.276 56.100 0.107 0.000 0.953 27 R CB -0.261 30.099 30.300 0.101 0.000 0.860 27 R HN 0.262 nan 8.270 nan 0.000 0.438 28 R N -0.709 119.836 120.500 0.074 0.000 2.346 28 R HA 0.102 4.435 4.340 -0.011 0.000 0.225 28 R C 0.765 177.100 176.300 0.058 0.000 0.987 28 R CA 0.403 56.540 56.100 0.063 0.000 1.106 28 R CB 0.527 30.865 30.300 0.064 0.000 1.090 28 R HN 0.265 nan 8.270 nan 0.000 0.502 29 A N -0.342 122.493 122.820 0.025 0.000 2.498 29 A HA 0.243 4.556 4.320 -0.011 0.000 0.238 29 A C 1.398 178.976 177.584 -0.011 0.000 1.225 29 A CA -0.177 51.866 52.037 0.011 0.000 0.978 29 A CB 0.476 19.474 19.000 -0.004 0.000 1.142 29 A HN 0.174 nan 8.150 nan 0.000 0.552 30 L N -2.452 118.756 121.223 -0.025 0.000 2.433 30 L HA 0.276 4.609 4.340 -0.011 0.000 0.200 30 L C 1.165 178.160 176.870 0.209 0.000 1.059 30 L CA 0.618 55.478 54.840 0.034 0.000 0.835 30 L CB -0.008 41.995 42.059 -0.094 0.000 1.076 30 L HN 0.464 nan 8.230 nan 0.000 0.481 31 Q N -0.012 119.880 119.800 0.155 0.000 2.481 31 Q HA -0.236 4.097 4.340 -0.011 0.000 0.283 31 Q C 0.489 176.590 176.000 0.169 0.000 1.292 31 Q CA 0.178 56.107 55.803 0.210 0.000 0.819 31 Q CB -0.592 28.344 28.738 0.330 0.000 1.202 31 Q HN 0.584 nan 8.270 nan 0.000 0.446 32 A N -0.028 122.829 122.820 0.061 0.000 2.109 32 A HA -0.063 4.250 4.320 -0.011 0.000 0.220 32 A C 1.225 178.797 177.584 -0.020 0.000 1.613 32 A CA 1.006 53.028 52.037 -0.025 0.000 0.620 32 A CB -0.546 18.438 19.000 -0.027 0.000 1.212 32 A HN 0.634 nan 8.150 nan 0.000 0.508 33 D N -0.356 120.041 120.400 -0.005 0.000 2.708 33 D HA -0.201 4.433 4.640 -0.011 0.000 0.217 33 D C 1.757 178.056 176.300 -0.002 0.000 1.094 33 D CA 2.747 56.745 54.000 -0.003 0.000 0.941 33 D CB -0.354 40.453 40.800 0.010 0.000 1.220 33 D HN 0.095 nan 8.370 nan 0.000 0.495 34 V N 0.748 120.669 119.914 0.011 0.000 3.129 34 V HA 0.030 4.144 4.120 -0.011 0.000 0.259 34 V C -1.717 174.391 176.094 0.024 0.000 1.116 34 V CA 0.223 62.531 62.300 0.012 0.000 1.127 34 V CB -0.792 31.039 31.823 0.014 0.000 0.742 34 V HN 0.203 nan 8.190 nan 0.000 0.474 35 P HA 0.157 nan 4.420 nan 0.000 0.275 35 P C -2.146 175.201 177.300 0.078 0.000 1.276 35 P CA -1.140 62.007 63.100 0.079 0.000 0.782 35 P CB 0.453 32.234 31.700 0.135 0.000 0.851 36 P HA 0.043 nan 4.420 nan 0.000 0.249 36 P C -0.401 176.957 177.300 0.096 0.000 1.544 36 P CA 0.013 63.145 63.100 0.053 0.000 0.932 36 P CB -0.178 31.538 31.700 0.027 0.000 1.524 37 E N -0.121 120.200 120.200 0.202 0.000 2.440 37 E HA -0.264 4.080 4.350 -0.011 0.000 0.246 37 E C 0.792 177.455 176.600 0.105 0.000 1.165 37 E CA 0.771 57.332 56.400 0.268 0.000 0.726 37 E CB -1.640 28.239 29.700 0.298 0.000 1.271 37 E HN 0.588 nan 8.360 nan 0.000 0.397 38 K N 0.799 121.246 120.400 0.077 0.000 2.103 38 K HA 0.102 4.415 4.320 -0.011 0.000 0.215 38 K C 1.371 177.984 176.600 0.023 0.000 1.027 38 K CA 0.121 56.429 56.287 0.036 0.000 0.953 38 K CB 0.134 32.651 32.500 0.029 0.000 0.904 38 K HN 0.012 nan 8.250 nan 0.000 0.454 39 R N 0.925 121.439 120.500 0.023 0.000 3.194 39 R HA 0.225 4.558 4.340 -0.011 0.000 0.306 39 R C -1.557 174.752 176.300 0.015 0.000 1.347 39 R CA -0.088 56.020 56.100 0.013 0.000 1.540 39 R CB 0.479 30.783 30.300 0.006 0.000 1.352 39 R HN 0.421 nan 8.270 nan 0.000 0.621 40 E N -0.051 120.159 120.200 0.017 0.000 2.584 40 E HA 0.020 4.364 4.350 -0.011 0.000 0.295 40 E C -1.324 175.277 176.600 0.002 0.000 1.109 40 E CA -0.361 56.047 56.400 0.014 0.000 0.900 40 E CB 0.612 30.326 29.700 0.024 0.000 1.195 40 E HN 0.432 nan 8.360 nan 0.000 0.433 41 N N 2.628 121.331 118.700 0.004 0.000 2.082 41 N HA 0.059 4.792 4.740 -0.011 0.000 0.228 41 N C 1.244 176.767 175.510 0.022 0.000 1.341 41 N CA 0.343 53.392 53.050 -0.002 0.000 0.873 41 N CB 0.760 39.255 38.487 0.013 0.000 1.137 41 N HN 0.157 nan 8.380 nan 0.000 0.505 42 V N 0.487 120.415 119.914 0.024 0.000 2.346 42 V HA -0.363 3.750 4.120 -0.011 0.000 0.264 42 V C 1.518 177.652 176.094 0.067 0.000 1.132 42 V CA 2.634 64.956 62.300 0.036 0.000 1.114 42 V CB -0.758 31.083 31.823 0.030 0.000 0.780 42 V HN 0.695 nan 8.190 nan 0.000 0.456 43 G N -2.462 106.379 108.800 0.069 0.000 2.474 43 G HA2 0.188 4.141 3.960 -0.011 0.000 0.205 43 G HA3 0.188 4.141 3.960 -0.011 0.000 0.205 43 G C 1.093 176.047 174.900 0.090 0.000 1.934 43 G CA 0.482 45.631 45.100 0.083 0.000 0.713 43 G HN 0.368 nan 8.290 nan 0.000 0.773 44 I N 0.869 121.524 120.570 0.141 0.000 2.202 44 I HA -0.129 4.035 4.170 -0.011 0.000 0.242 44 I C 2.863 179.088 176.117 0.179 0.000 1.091 44 I CA 1.404 62.844 61.300 0.234 0.000 1.368 44 I CB -0.086 38.095 38.000 0.302 0.000 1.058 44 I HN 0.323 nan 8.210 nan 0.000 0.410 45 Q N 0.940 120.828 119.800 0.146 0.000 2.291 45 Q HA -0.191 4.142 4.340 -0.011 0.000 0.206 45 Q C 2.115 178.145 176.000 0.049 0.000 0.976 45 Q CA 1.575 57.419 55.803 0.069 0.000 0.875 45 Q CB 0.029 28.630 28.738 -0.228 0.000 0.927 45 Q HN 0.556 nan 8.270 nan 0.000 0.450 46 A N 0.124 122.958 122.820 0.023 0.000 1.935 46 A HA 0.114 4.427 4.320 -0.011 0.000 0.214 46 A C 2.218 179.764 177.584 -0.063 0.000 1.178 46 A CA 0.975 53.015 52.037 0.004 0.000 0.640 46 A CB -0.659 18.352 19.000 0.018 0.000 0.825 46 A HN 0.489 nan 8.150 nan 0.000 0.447 47 A N -1.068 121.668 122.820 -0.140 0.000 2.024 47 A HA -0.028 4.286 4.320 -0.011 0.000 0.220 47 A C 1.927 179.224 177.584 -0.479 0.000 1.164 47 A CA 1.366 53.172 52.037 -0.384 0.000 0.643 47 A CB -0.675 17.978 19.000 -0.579 0.000 0.806 47 A HN 0.504 nan 8.150 nan 0.000 0.451 48 F N -0.450 119.305 119.950 -0.325 0.000 2.094 48 F HA -0.032 4.489 4.527 -0.011 0.000 0.291 48 F C 2.309 178.002 175.800 -0.178 0.000 1.109 48 F CA 1.117 58.868 58.000 -0.414 0.000 1.221 48 F CB -0.158 38.249 39.000 -0.989 0.000 1.014 48 F HN 0.024 nan 8.300 nan 0.000 0.473 49 R N 0.943 121.505 120.500 0.104 0.000 2.421 49 R HA -0.146 4.187 4.340 -0.011 0.000 0.208 49 R C 1.236 177.600 176.300 0.106 0.000 1.103 49 R CA 1.251 57.444 56.100 0.156 0.000 1.065 49 R CB -0.672 29.700 30.300 0.120 0.000 0.839 49 R HN 0.616 nan 8.270 nan 0.000 0.480 50 E N -1.297 118.922 120.200 0.032 0.000 2.367 50 E HA 0.034 4.378 4.350 -0.011 0.000 0.204 50 E C 0.845 177.415 176.600 -0.050 0.000 0.840 50 E CA 0.118 56.511 56.400 -0.012 0.000 1.051 50 E CB 0.059 29.718 29.700 -0.068 0.000 1.051 50 E HN -0.075 nan 8.360 nan 0.000 0.509 51 T N 0.360 114.836 114.554 -0.130 0.000 3.160 51 T HA 0.168 4.511 4.350 -0.011 0.000 0.257 51 T C -0.744 173.778 174.700 -0.297 0.000 1.147 51 T CA 0.505 62.452 62.100 -0.255 0.000 1.064 51 T CB -0.231 68.400 68.868 -0.395 0.000 0.949 51 T HN 0.000 nan 8.240 nan 0.000 0.526 52 F N 1.217 121.178 119.950 0.018 0.000 2.613 52 F HA 0.434 4.955 4.527 -0.011 0.000 0.310 52 F C -2.533 173.303 175.800 0.061 0.000 1.085 52 F CA -2.800 55.244 58.000 0.074 0.000 0.945 52 F CB 1.874 40.974 39.000 0.167 0.000 1.298 52 F HN -0.304 nan 8.300 nan 0.000 0.455 53 P HA 0.275 nan 4.420 nan 0.000 0.282 53 P C -0.577 176.911 177.300 0.314 0.000 1.274 53 P CA 0.066 63.407 63.100 0.401 0.000 0.770 53 P CB 1.382 33.193 31.700 0.186 0.000 0.867 54 I N 2.880 123.693 120.570 0.405 0.000 2.352 54 I HA 0.219 4.382 4.170 -0.011 0.000 0.290 54 I C 0.306 176.512 176.117 0.148 0.000 1.036 54 I CA -0.325 61.060 61.300 0.142 0.000 1.336 54 I CB 0.517 38.499 38.000 -0.030 0.000 1.407 54 I HN 0.383 nan 8.210 nan 0.000 0.497 55 E N 5.821 126.074 120.200 0.088 0.000 2.299 55 E HA 0.454 4.798 4.350 -0.011 0.000 0.260 55 E C -0.941 175.687 176.600 0.046 0.000 0.944 55 E CA -0.512 55.930 56.400 0.069 0.000 0.815 55 E CB 1.411 31.144 29.700 0.056 0.000 1.252 55 E HN 0.653 nan 8.360 nan 0.000 0.418 56 E N 1.244 121.469 120.200 0.042 0.000 3.957 56 E HA 0.050 4.394 4.350 -0.011 0.000 0.172 56 E C -1.298 175.322 176.600 0.034 0.000 1.032 56 E CA -0.063 56.358 56.400 0.034 0.000 1.491 56 E CB 0.865 30.587 29.700 0.036 0.000 1.151 56 E HN 0.419 nan 8.360 nan 0.000 0.410 57 E N 2.170 122.388 120.200 0.031 0.000 2.130 57 E HA 0.092 4.435 4.350 -0.011 0.000 0.284 57 E C -0.839 175.775 176.600 0.022 0.000 1.018 57 E CA -0.319 56.098 56.400 0.029 0.000 0.817 57 E CB 0.654 30.370 29.700 0.026 0.000 1.078 57 E HN 0.013 nan 8.360 nan 0.000 0.396 58 D N 4.742 125.156 120.400 0.023 0.000 2.233 58 D HA 0.074 4.708 4.640 -0.011 0.000 0.240 58 D C 0.316 176.627 176.300 0.019 0.000 1.074 58 D CA -0.518 53.493 54.000 0.018 0.000 0.838 58 D CB 1.832 42.643 40.800 0.018 0.000 1.124 58 D HN 0.370 nan 8.370 nan 0.000 0.475 59 K N 1.002 121.411 120.400 0.015 0.000 2.520 59 K HA -0.082 4.231 4.320 -0.011 0.000 0.197 59 K C 1.734 178.344 176.600 0.016 0.000 1.044 59 K CA 0.449 56.745 56.287 0.015 0.000 0.938 59 K CB -0.204 32.303 32.500 0.011 0.000 0.767 59 K HN 0.525 nan 8.250 nan 0.000 0.481 60 G N 0.945 109.755 108.800 0.016 0.000 2.456 60 G HA2 -0.174 3.779 3.960 -0.011 0.000 0.213 60 G HA3 -0.174 3.779 3.960 -0.011 0.000 0.213 60 G C 1.229 176.141 174.900 0.020 0.000 1.215 60 G CA 0.078 45.187 45.100 0.016 0.000 0.805 60 G HN 0.103 nan 8.290 nan 0.000 0.537 61 K N 1.138 121.552 120.400 0.024 0.000 2.442 61 K HA 0.075 4.388 4.320 -0.011 0.000 0.198 61 K C 1.887 178.511 176.600 0.040 0.000 1.042 61 K CA 0.755 57.061 56.287 0.031 0.000 0.958 61 K CB -0.510 32.012 32.500 0.036 0.000 0.766 61 K HN 0.455 nan 8.250 nan 0.000 0.474 62 G N 0.657 109.476 108.800 0.033 0.000 2.574 62 G HA2 -0.334 3.619 3.960 -0.011 0.000 0.301 62 G HA3 -0.334 3.619 3.960 -0.011 0.000 0.301 62 G C 0.349 175.271 174.900 0.038 0.000 1.166 62 G CA 0.054 45.174 45.100 0.033 0.000 0.971 62 G HN 0.492 nan 8.290 nan 0.000 0.542 63 G N -0.491 108.335 108.800 0.044 0.000 2.360 63 G HA2 0.594 4.547 3.960 -0.011 0.000 0.279 63 G HA3 0.594 4.547 3.960 -0.011 0.000 0.279 63 G C -0.183 174.744 174.900 0.045 0.000 1.189 63 G CA 0.525 45.645 45.100 0.034 0.000 0.941 63 G HN 1.384 nan 8.290 nan 0.000 0.445 64 L N 4.837 126.078 121.223 0.031 0.000 2.783 64 L HA 0.337 4.671 4.340 -0.011 0.000 0.265 64 L C 0.009 176.891 176.870 0.020 0.000 1.398 64 L CA -0.751 54.113 54.840 0.039 0.000 0.802 64 L CB 0.929 43.022 42.059 0.056 0.000 1.126 64 L HN 0.231 nan 8.230 nan 0.000 0.529 65 V N 2.346 122.247 119.914 -0.022 0.000 2.572 65 V HA 0.272 4.385 4.120 -0.011 0.000 0.291 65 V C -0.023 176.072 176.094 0.001 0.000 1.039 65 V CA -0.110 62.180 62.300 -0.016 0.000 1.055 65 V CB 1.188 32.978 31.823 -0.055 0.000 0.969 65 V HN 0.462 nan 8.190 nan 0.000 0.482 66 L N 5.051 126.316 121.223 0.070 0.000 2.549 66 L HA 0.633 4.967 4.340 -0.011 0.000 0.260 66 L C -1.140 175.858 176.870 0.213 0.000 1.109 66 L CA 0.024 54.956 54.840 0.153 0.000 0.900 66 L CB 1.217 43.422 42.059 0.245 0.000 1.119 66 L HN 0.692 nan 8.230 nan 0.000 0.471 67 D N 1.700 122.000 120.400 -0.166 0.000 2.467 67 D HA 0.417 5.050 4.640 -0.011 0.000 0.245 67 D C -0.989 174.516 176.300 -1.326 0.000 1.038 67 D CA -0.255 53.388 54.000 -0.594 0.000 1.038 67 D CB 1.776 42.430 40.800 -0.243 0.000 1.278 67 D HN 0.208 nan 8.370 nan 0.000 0.564 68 F N 1.129 120.118 119.950 -1.601 0.000 2.380 68 F HA 0.404 4.925 4.527 -0.011 0.000 0.325 68 F C 0.192 175.710 175.800 -0.470 0.000 1.136 68 F CA -0.162 57.224 58.000 -1.024 0.000 1.171 68 F CB 0.772 39.532 39.000 -0.399 0.000 1.230 68 F HN 0.334 nan 8.300 nan 0.000 0.554 69 L N 0.513 120.823 121.223 -1.521 0.000 2.865 69 L HA 0.402 4.735 4.340 -0.011 0.000 0.167 69 L C -0.906 175.104 176.870 -1.434 0.000 1.135 69 L CA -0.001 54.189 54.840 -1.082 0.000 0.895 69 L CB 0.449 42.169 42.059 -0.564 0.000 1.643 69 L HN 0.608 nan 8.230 nan 0.000 0.518 70 E N -0.260 119.218 120.200 -1.203 0.000 2.304 70 E HA 0.274 4.617 4.350 -0.011 0.000 0.277 70 E C -1.866 174.763 176.600 0.048 0.000 0.898 70 E CA -0.645 55.455 56.400 -0.499 0.000 0.764 70 E CB 1.955 31.549 29.700 -0.177 0.000 1.216 70 E HN 0.251 nan 8.360 nan 0.000 0.419 71 Y N 0.933 121.307 120.300 0.123 0.000 2.316 71 Y HA 0.711 5.255 4.550 -0.011 0.000 0.324 71 Y C 0.189 176.169 175.900 0.135 0.000 1.267 71 Y CA -1.103 57.059 58.100 0.104 0.000 1.311 71 Y CB 1.042 39.509 38.460 0.012 0.000 1.267 71 Y HN 0.561 nan 8.280 nan 0.000 0.516 72 R N 2.031 122.572 120.500 0.069 0.000 2.709 72 R HA 0.712 5.046 4.340 -0.011 0.000 0.270 72 R C -2.580 173.790 176.300 0.117 0.000 1.038 72 R CA -0.925 55.142 56.100 -0.055 0.000 0.872 72 R CB 1.589 31.864 30.300 -0.041 0.000 1.259 72 R HN 0.962 nan 8.270 nan 0.000 0.473 73 L N -2.149 119.101 121.223 0.044 0.000 2.992 73 L HA 0.765 5.098 4.340 -0.011 0.000 0.252 73 L C -0.138 176.746 176.870 0.023 0.000 0.983 73 L CA 0.137 55.054 54.840 0.128 0.000 1.005 73 L CB 1.199 43.326 42.059 0.113 0.000 1.506 73 L HN 0.926 nan 8.230 nan 0.000 0.414 74 G N -0.650 108.173 108.800 0.037 0.000 4.589 74 G HA2 0.053 4.006 3.960 -0.011 0.000 0.218 74 G HA3 0.053 4.006 3.960 -0.011 0.000 0.218 74 G C -0.419 174.469 174.900 -0.021 0.000 0.678 74 G CA 0.218 45.308 45.100 -0.016 0.000 0.859 74 G HN 0.810 nan 8.290 nan 0.000 0.650 75 E N 1.798 121.997 120.200 -0.001 0.000 2.173 75 E HA 0.416 4.760 4.350 -0.011 0.000 0.249 75 E C -2.694 173.889 176.600 -0.029 0.000 0.923 75 E CA -2.051 54.334 56.400 -0.024 0.000 0.754 75 E CB 1.512 31.192 29.700 -0.035 0.000 1.177 75 E HN -0.012 nan 8.360 nan 0.000 0.430 76 P HA 0.057 nan 4.420 nan 0.000 0.263 76 P C -2.206 175.086 177.300 -0.013 0.000 1.247 76 P CA -0.944 62.116 63.100 -0.068 0.000 0.876 76 P CB 0.674 32.336 31.700 -0.063 0.000 0.928 77 P HA -0.225 nan 4.420 nan 0.000 0.222 77 P C -0.160 176.929 177.300 -0.353 0.000 1.157 77 P CA 1.786 64.841 63.100 -0.074 0.000 0.905 77 P CB -0.009 31.815 31.700 0.206 0.000 0.792 78 F N -3.837 116.140 119.950 0.045 0.000 2.650 78 F HA 0.460 4.981 4.527 -0.011 0.000 0.320 78 F C -2.316 173.569 175.800 0.142 0.000 1.091 78 F CA -2.648 55.392 58.000 0.068 0.000 0.962 78 F CB 0.659 39.686 39.000 0.044 0.000 1.363 78 F HN -0.352 nan 8.300 nan 0.000 0.482 79 P HA 0.197 nan 4.420 nan 0.000 0.284 79 P C -0.417 176.895 177.300 0.020 0.000 1.253 79 P CA -0.188 63.000 63.100 0.147 0.000 0.800 79 P CB 1.476 33.218 31.700 0.069 0.000 0.961 80 Q N 1.906 121.531 119.800 -0.293 0.000 1.914 80 Q HA -0.297 4.036 4.340 -0.011 0.000 0.222 80 Q C 1.545 177.412 176.000 -0.221 0.000 1.031 80 Q CA 2.823 58.321 55.803 -0.509 0.000 0.886 80 Q CB -0.919 27.398 28.738 -0.703 0.000 0.982 80 Q HN 0.613 nan 8.270 nan 0.000 0.417 81 D N 0.207 120.488 120.400 -0.198 0.000 2.244 81 D HA -0.261 4.373 4.640 -0.011 0.000 0.197 81 D C 1.565 177.805 176.300 -0.100 0.000 1.006 81 D CA 1.864 55.768 54.000 -0.161 0.000 0.888 81 D CB -0.419 40.283 40.800 -0.164 0.000 0.912 81 D HN 0.445 nan 8.370 nan 0.000 0.452 82 E N -0.385 119.787 120.200 -0.046 0.000 2.107 82 E HA -0.118 4.225 4.350 -0.011 0.000 0.191 82 E C 1.651 178.237 176.600 -0.022 0.000 0.982 82 E CA 0.997 57.396 56.400 -0.002 0.000 0.809 82 E CB -0.026 29.725 29.700 0.085 0.000 0.756 82 E HN 0.385 nan 8.360 nan 0.000 0.459 83 C N 0.848 120.145 119.300 -0.006 0.000 2.413 83 C HA -0.118 4.336 4.460 -0.011 0.000 0.276 83 C C 2.596 177.563 174.990 -0.038 0.000 1.236 83 C CA 0.851 59.859 59.018 -0.016 0.000 1.735 83 C CB -1.200 26.575 27.740 0.059 0.000 2.031 83 C HN 0.459 nan 8.230 nan 0.000 0.474 84 R N 0.871 121.347 120.500 -0.041 0.000 2.083 84 R HA -0.142 4.191 4.340 -0.011 0.000 0.237 84 R C 2.184 178.476 176.300 -0.012 0.000 1.137 84 R CA 1.342 57.425 56.100 -0.029 0.000 0.951 84 R CB -0.427 29.843 30.300 -0.051 0.000 0.851 84 R HN 0.583 nan 8.270 nan 0.000 0.434 85 E N 1.418 121.604 120.200 -0.024 0.000 2.048 85 E HA -0.191 4.152 4.350 -0.011 0.000 0.202 85 E C 0.986 177.583 176.600 -0.005 0.000 1.021 85 E CA 1.531 57.929 56.400 -0.004 0.000 0.825 85 E CB -0.079 29.610 29.700 -0.019 0.000 0.756 85 E HN 0.377 nan 8.360 nan 0.000 0.454 86 K N 1.711 122.083 120.400 -0.047 0.000 2.862 86 K HA 0.047 4.361 4.320 -0.011 0.000 0.229 86 K C -0.566 175.997 176.600 -0.061 0.000 1.107 86 K CA -0.066 56.182 56.287 -0.065 0.000 1.222 86 K CB 0.186 32.608 32.500 -0.130 0.000 1.067 86 K HN -0.005 nan 8.250 nan 0.000 0.464 87 D N 1.492 121.875 120.400 -0.027 0.000 2.692 87 D HA -0.215 4.419 4.640 -0.011 0.000 0.233 87 D C -0.147 176.130 176.300 -0.039 0.000 1.172 87 D CA 1.052 55.042 54.000 -0.016 0.000 0.636 87 D CB -1.130 39.667 40.800 -0.005 0.000 1.028 87 D HN 0.360 nan 8.370 nan 0.000 0.419 88 L N -0.730 120.460 121.223 -0.055 0.000 2.440 88 L HA 0.467 4.800 4.340 -0.011 0.000 0.262 88 L C 1.101 177.956 176.870 -0.025 0.000 1.072 88 L CA -0.575 54.225 54.840 -0.068 0.000 0.798 88 L CB 1.018 43.003 42.059 -0.123 0.000 1.307 88 L HN -0.220 nan 8.230 nan 0.000 0.475 89 T N -0.211 114.328 114.554 -0.025 0.000 3.060 89 T HA 0.184 4.527 4.350 -0.011 0.000 0.367 89 T C -0.634 174.094 174.700 0.047 0.000 1.229 89 T CA -0.311 61.788 62.100 -0.001 0.000 1.104 89 T CB -0.308 68.525 68.868 -0.058 0.000 1.083 89 T HN 0.254 nan 8.240 nan 0.000 0.524 90 Y N 5.119 125.398 120.300 -0.034 0.000 2.887 90 Y HA 0.043 4.587 4.550 -0.011 0.000 0.350 90 Y C 0.640 176.534 175.900 -0.009 0.000 1.294 90 Y CA 0.480 58.572 58.100 -0.014 0.000 1.622 90 Y CB -0.052 38.393 38.460 -0.024 0.000 1.201 90 Y HN 0.712 nan 8.280 nan 0.000 0.546 91 Q N 3.919 123.516 119.800 -0.339 0.000 2.919 91 Q HA 0.840 5.173 4.340 -0.011 0.000 0.323 91 Q C -2.269 173.596 176.000 -0.224 0.000 0.829 91 Q CA -1.014 54.617 55.803 -0.287 0.000 0.803 91 Q CB 0.966 29.626 28.738 -0.130 0.000 1.423 91 Q HN 0.779 nan 8.270 nan 0.000 0.478 92 A N 0.597 123.368 122.820 -0.082 0.000 2.427 92 A HA 0.767 5.080 4.320 -0.011 0.000 0.298 92 A C -2.844 174.838 177.584 0.162 0.000 1.036 92 A CA -1.569 50.476 52.037 0.013 0.000 0.701 92 A CB 1.672 20.652 19.000 -0.033 0.000 1.250 92 A HN 0.455 nan 8.150 nan 0.000 0.412 93 P HA 0.251 nan 4.420 nan 0.000 0.269 93 P C -0.737 176.682 177.300 0.198 0.000 1.211 93 P CA 0.040 63.324 63.100 0.306 0.000 0.781 93 P CB 0.421 32.398 31.700 0.461 0.000 0.877 94 L N 2.932 124.222 121.223 0.112 0.000 2.377 94 L HA 0.432 4.766 4.340 -0.011 0.000 0.270 94 L C -1.263 175.730 176.870 0.205 0.000 0.991 94 L CA -0.627 54.322 54.840 0.182 0.000 0.851 94 L CB 0.106 42.248 42.059 0.139 0.000 1.218 94 L HN 0.180 nan 8.230 nan 0.000 0.420 95 Y N 3.541 123.968 120.300 0.212 0.000 2.286 95 Y HA 0.796 5.339 4.550 -0.011 0.000 0.347 95 Y C 0.697 176.734 175.900 0.228 0.000 1.351 95 Y CA -0.143 58.092 58.100 0.225 0.000 1.640 95 Y CB 0.961 39.517 38.460 0.159 0.000 1.560 95 Y HN 0.758 nan 8.280 nan 0.000 0.574 96 A N 0.580 123.634 122.820 0.391 0.000 2.534 96 A HA 0.493 4.806 4.320 -0.011 0.000 0.300 96 A C -1.204 176.503 177.584 0.205 0.000 1.054 96 A CA -0.990 51.243 52.037 0.326 0.000 0.858 96 A CB 0.829 20.098 19.000 0.448 0.000 1.333 96 A HN 0.723 nan 8.150 nan 0.000 0.391 97 R N 2.043 122.575 120.500 0.053 0.000 2.248 97 R HA 0.567 4.901 4.340 -0.011 0.000 0.328 97 R C -0.369 175.846 176.300 -0.143 0.000 1.067 97 R CA 0.120 56.183 56.100 -0.062 0.000 0.924 97 R CB 0.356 30.563 30.300 -0.156 0.000 1.013 97 R HN 0.677 nan 8.270 nan 0.000 0.454 98 L N 1.341 122.526 121.223 -0.063 0.000 2.305 98 L HA 0.561 4.894 4.340 -0.011 0.000 0.261 98 L C -0.357 176.435 176.870 -0.130 0.000 1.100 98 L CA -1.053 53.718 54.840 -0.114 0.000 1.073 98 L CB 1.067 43.172 42.059 0.077 0.000 1.656 98 L HN 0.464 nan 8.230 nan 0.000 0.536 99 Q N 1.311 121.043 119.800 -0.114 0.000 2.520 99 Q HA 0.366 4.700 4.340 -0.011 0.000 0.237 99 Q C -2.274 173.682 176.000 -0.073 0.000 0.875 99 Q CA -0.493 55.251 55.803 -0.098 0.000 1.028 99 Q CB 2.104 30.758 28.738 -0.140 0.000 1.534 99 Q HN 0.459 nan 8.270 nan 0.000 0.471 100 L N 5.728 126.908 121.223 -0.071 0.000 2.305 100 L HA 0.667 5.000 4.340 -0.011 0.000 0.284 100 L C -1.550 175.145 176.870 -0.291 0.000 1.013 100 L CA -0.141 54.630 54.840 -0.114 0.000 0.819 100 L CB 1.224 43.254 42.059 -0.050 0.000 1.227 100 L HN 0.725 nan 8.230 nan 0.000 0.417 101 I N 3.533 123.903 120.570 -0.333 0.000 3.474 101 I HA 0.519 4.682 4.170 -0.011 0.000 0.294 101 I C -0.497 175.216 176.117 -0.673 0.000 1.185 101 I CA -1.017 60.016 61.300 -0.446 0.000 1.003 101 I CB 1.557 39.448 38.000 -0.182 0.000 1.327 101 I HN 0.542 nan 8.210 nan 0.000 0.541 102 H N 0.707 119.783 119.070 0.011 0.000 2.851 102 H HA 0.220 4.769 4.556 -0.011 0.000 0.372 102 H C -0.086 175.247 175.328 0.009 0.000 1.158 102 H CA -0.831 55.224 56.048 0.012 0.000 1.159 102 H CB 1.990 31.759 29.762 0.011 0.000 1.757 102 H HN 0.472 nan 8.280 nan 0.000 0.546 103 K N 1.026 121.505 120.400 0.131 0.000 2.228 103 K HA -0.155 4.158 4.320 -0.011 0.000 0.205 103 K C 0.302 176.940 176.600 0.064 0.000 1.045 103 K CA 1.900 58.230 56.287 0.071 0.000 0.931 103 K CB 0.061 32.595 32.500 0.057 0.000 0.727 103 K HN 0.600 nan 8.250 nan 0.000 0.458 104 D N 0.511 120.964 120.400 0.088 0.000 2.400 104 D HA -0.067 4.566 4.640 -0.011 0.000 0.243 104 D C 0.031 176.371 176.300 0.067 0.000 1.184 104 D CA 1.072 55.111 54.000 0.064 0.000 0.853 104 D CB -0.459 40.374 40.800 0.056 0.000 0.944 104 D HN 0.373 nan 8.370 nan 0.000 0.501 105 T N -4.190 110.399 114.554 0.058 0.000 4.093 105 T HA -0.205 4.138 4.350 -0.011 0.000 0.334 105 T C 0.834 175.562 174.700 0.046 0.000 0.773 105 T CA 0.597 62.718 62.100 0.034 0.000 1.900 105 T CB -2.535 66.345 68.868 0.020 0.000 1.911 105 T HN 0.493 nan 8.240 nan 0.000 0.844 106 G N 1.172 110.039 108.800 0.111 0.000 2.588 106 G HA2 0.497 4.450 3.960 -0.011 0.000 0.297 106 G HA3 0.497 4.450 3.960 -0.011 0.000 0.297 106 G C 0.466 175.375 174.900 0.016 0.000 0.874 106 G CA -0.770 44.441 45.100 0.185 0.000 1.607 106 G HN 0.819 nan 8.290 nan 0.000 0.486 107 L N 3.969 125.190 121.223 -0.003 0.000 2.536 107 L HA 0.344 4.678 4.340 -0.011 0.000 0.242 107 L C 0.193 177.044 176.870 -0.031 0.000 1.280 107 L CA -0.377 54.431 54.840 -0.053 0.000 1.221 107 L CB -0.251 41.784 42.059 -0.040 0.000 1.449 107 L HN 0.347 nan 8.230 nan 0.000 0.405 108 I N 2.889 123.443 120.570 -0.027 0.000 2.337 108 I HA 0.116 4.279 4.170 -0.011 0.000 0.291 108 I C 0.524 176.634 176.117 -0.012 0.000 1.046 108 I CA -0.101 61.209 61.300 0.015 0.000 1.324 108 I CB 0.612 38.664 38.000 0.088 0.000 1.409 108 I HN 0.518 nan 8.210 nan 0.000 0.494 109 K N 6.390 126.783 120.400 -0.011 0.000 2.478 109 K HA 0.301 4.615 4.320 -0.011 0.000 0.236 109 K C -0.278 176.323 176.600 0.002 0.000 1.021 109 K CA -0.604 55.671 56.287 -0.020 0.000 1.010 109 K CB 1.346 33.819 32.500 -0.045 0.000 1.331 109 K HN 0.508 nan 8.250 nan 0.000 0.470 110 E N 4.570 124.783 120.200 0.023 0.000 1.858 110 E HA -0.031 4.312 4.350 -0.011 0.000 0.267 110 E C -0.705 175.925 176.600 0.049 0.000 1.215 110 E CA -0.241 56.186 56.400 0.045 0.000 0.952 110 E CB 0.344 30.082 29.700 0.064 0.000 1.058 110 E HN 0.507 nan 8.360 nan 0.000 0.407 111 D N 4.805 125.225 120.400 0.034 0.000 2.826 111 D HA 0.036 4.669 4.640 -0.011 0.000 0.247 111 D C -0.492 175.862 176.300 0.090 0.000 1.238 111 D CA 0.611 54.629 54.000 0.030 0.000 0.894 111 D CB 0.199 40.993 40.800 -0.010 0.000 1.100 111 D HN 0.363 nan 8.370 nan 0.000 0.453 112 E N 0.046 120.332 120.200 0.143 0.000 2.354 112 E HA 0.286 4.629 4.350 -0.011 0.000 0.283 112 E C -0.671 176.075 176.600 0.244 0.000 0.938 112 E CA -0.831 55.719 56.400 0.251 0.000 0.777 112 E CB 2.800 32.663 29.700 0.272 0.000 1.222 112 E HN -0.078 nan 8.360 nan 0.000 0.423 113 V N 0.229 120.313 119.914 0.285 0.000 3.566 113 V HA 0.226 4.339 4.120 -0.011 0.000 0.254 113 V C -0.338 175.771 176.094 0.026 0.000 0.864 113 V CA -0.807 61.574 62.300 0.134 0.000 1.124 113 V CB -0.711 31.196 31.823 0.141 0.000 0.884 113 V HN 0.673 nan 8.190 nan 0.000 0.504 114 F N 2.635 122.351 119.950 -0.391 0.000 2.645 114 F HA 0.517 5.038 4.527 -0.011 0.000 0.300 114 F C 1.296 176.845 175.800 -0.418 0.000 1.115 114 F CA -0.324 57.254 58.000 -0.703 0.000 1.355 114 F CB -0.120 37.746 39.000 -1.889 0.000 1.026 114 F HN 0.327 nan 8.300 nan 0.000 0.536 115 L N 0.963 121.762 121.223 -0.707 0.000 2.054 115 L HA -0.130 4.204 4.340 -0.011 0.000 0.220 115 L C 1.493 177.999 176.870 -0.607 0.000 1.081 115 L CA 1.370 55.818 54.840 -0.653 0.000 0.780 115 L CB -1.681 40.169 42.059 -0.349 0.000 0.893 115 L HN 0.439 nan 8.230 nan 0.000 0.438 116 G N -0.998 107.537 108.800 -0.442 0.000 2.379 116 G HA2 0.545 4.499 3.960 -0.011 0.000 0.327 116 G HA3 0.545 4.499 3.960 -0.011 0.000 0.327 116 G C -1.219 173.434 174.900 -0.411 0.000 1.145 116 G CA -0.438 44.372 45.100 -0.483 0.000 0.905 116 G HN 0.345 nan 8.290 nan 0.000 0.466 117 H N 0.006 119.059 119.070 -0.028 0.000 2.621 117 H HA 0.719 5.268 4.556 -0.011 0.000 0.360 117 H C 0.062 175.348 175.328 -0.069 0.000 1.163 117 H CA -1.307 54.731 56.048 -0.017 0.000 1.194 117 H CB 1.742 31.509 29.762 0.007 0.000 1.649 117 H HN 0.667 nan 8.280 nan 0.000 0.532 118 I N -2.132 118.473 120.570 0.058 0.000 2.730 118 I HA 0.626 4.789 4.170 -0.011 0.000 0.298 118 I C -3.075 173.011 176.117 -0.052 0.000 1.089 118 I CA -2.982 58.292 61.300 -0.043 0.000 1.041 118 I CB 2.882 40.847 38.000 -0.059 0.000 1.235 118 I HN 0.289 nan 8.210 nan 0.000 0.423 119 P HA 0.208 nan 4.420 nan 0.000 0.270 119 P C -1.051 176.359 177.300 0.183 0.000 1.221 119 P CA 0.113 63.189 63.100 -0.039 0.000 0.788 119 P CB 0.447 32.021 31.700 -0.211 0.000 0.904 120 L N 0.652 121.935 121.223 0.100 0.000 2.323 120 L HA 0.590 4.923 4.340 -0.011 0.000 0.265 120 L C 0.125 176.814 176.870 -0.302 0.000 1.012 120 L CA -0.991 53.886 54.840 0.063 0.000 0.820 120 L CB 1.677 43.617 42.059 -0.198 0.000 1.334 120 L HN 0.317 nan 8.230 nan 0.000 0.427 121 M N 1.150 120.500 119.600 -0.416 0.000 2.157 121 M HA 0.317 4.790 4.480 -0.011 0.000 0.354 121 M C -0.136 175.924 176.300 -0.399 0.000 1.170 121 M CA -0.251 54.440 55.300 -1.014 0.000 1.060 121 M CB 1.371 33.538 32.600 -0.722 0.000 1.615 121 M HN 0.678 nan 8.290 nan 0.000 0.460 122 T N 2.542 116.844 114.554 -0.420 0.000 2.716 122 T HA -0.090 4.254 4.350 -0.011 0.000 0.335 122 T C 1.035 175.657 174.700 -0.130 0.000 1.081 122 T CA -0.031 61.943 62.100 -0.211 0.000 1.073 122 T CB 0.448 69.197 68.868 -0.198 0.000 0.993 122 T HN 0.844 nan 8.240 nan 0.000 0.547 123 E N 0.644 120.789 120.200 -0.091 0.000 2.153 123 E HA -0.199 4.144 4.350 -0.011 0.000 0.194 123 E C 1.765 178.334 176.600 -0.052 0.000 0.988 123 E CA 1.403 57.771 56.400 -0.054 0.000 0.811 123 E CB 0.019 29.691 29.700 -0.047 0.000 0.746 123 E HN 0.756 nan 8.360 nan 0.000 0.466 124 D N -1.737 118.624 120.400 -0.065 0.000 2.249 124 D HA -0.029 4.605 4.640 -0.011 0.000 0.205 124 D C 1.416 177.689 176.300 -0.046 0.000 0.962 124 D CA 1.202 55.173 54.000 -0.048 0.000 0.860 124 D CB 0.573 41.345 40.800 -0.045 0.000 0.955 124 D HN 0.339 nan 8.370 nan 0.000 0.505 125 G N 0.255 109.007 108.800 -0.079 0.000 2.318 125 G HA2 -0.194 3.759 3.960 -0.011 0.000 0.172 125 G HA3 -0.194 3.759 3.960 -0.011 0.000 0.172 125 G C 0.446 175.308 174.900 -0.062 0.000 1.002 125 G CA 0.327 45.389 45.100 -0.063 0.000 0.697 125 G HN 0.690 nan 8.290 nan 0.000 0.483 126 S N -0.275 115.374 115.700 -0.084 0.000 2.646 126 S HA 0.878 5.341 4.470 -0.011 0.000 0.273 126 S C -0.311 174.225 174.600 -0.107 0.000 1.168 126 S CA -0.498 57.715 58.200 0.022 0.000 1.013 126 S CB 1.363 64.553 63.200 -0.016 0.000 1.098 126 S HN 0.448 nan 8.310 nan 0.000 0.544 127 F N -0.985 118.921 119.950 -0.073 0.000 2.603 127 F HA 0.584 5.104 4.527 -0.011 0.000 0.317 127 F C -0.379 175.405 175.800 -0.027 0.000 1.066 127 F CA -1.204 56.780 58.000 -0.026 0.000 0.941 127 F CB 1.584 40.587 39.000 0.006 0.000 1.291 127 F HN 0.404 nan 8.300 nan 0.000 0.472 128 I N 4.480 125.153 120.570 0.171 0.000 2.371 128 I HA 0.309 4.473 4.170 -0.011 0.000 0.282 128 I C -1.100 175.066 176.117 0.081 0.000 1.031 128 I CA -0.379 60.972 61.300 0.085 0.000 1.180 128 I CB 0.593 38.623 38.000 0.050 0.000 1.336 128 I HN 0.199 nan 8.210 nan 0.000 0.467 129 I N 6.300 126.887 120.570 0.028 0.000 2.328 129 I HA 0.237 4.401 4.170 -0.011 0.000 0.287 129 I C 0.369 176.470 176.117 -0.027 0.000 1.012 129 I CA -0.599 60.690 61.300 -0.018 0.000 1.195 129 I CB 0.588 38.547 38.000 -0.068 0.000 1.350 129 I HN 0.598 nan 8.210 nan 0.000 0.464 130 N N 5.435 124.123 118.700 -0.020 0.000 2.705 130 N HA -0.226 4.508 4.740 -0.011 0.000 0.255 130 N C 1.227 176.743 175.510 0.009 0.000 1.008 130 N CA 1.059 54.102 53.050 -0.012 0.000 0.742 130 N CB -0.925 37.557 38.487 -0.009 0.000 0.906 130 N HN 1.132 nan 8.380 nan 0.000 0.541 131 G N -1.730 107.075 108.800 0.008 0.000 2.284 131 G HA2 -0.284 3.670 3.960 -0.011 0.000 0.261 131 G HA3 -0.284 3.670 3.960 -0.011 0.000 0.261 131 G C 0.275 175.200 174.900 0.042 0.000 0.997 131 G CA 1.050 46.161 45.100 0.018 0.000 0.621 131 G HN 1.227 nan 8.290 nan 0.000 0.534 132 A N 0.452 123.304 122.820 0.054 0.000 2.328 132 A HA 0.552 4.866 4.320 -0.011 0.000 0.284 132 A C -0.001 177.605 177.584 0.038 0.000 1.160 132 A CA -0.183 51.914 52.037 0.101 0.000 0.818 132 A CB 0.446 19.538 19.000 0.154 0.000 1.087 132 A HN 0.220 nan 8.150 nan 0.000 0.504 133 D N 1.336 121.779 120.400 0.071 0.000 2.358 133 D HA 0.294 4.928 4.640 -0.011 0.000 0.258 133 D C 0.157 176.450 176.300 -0.012 0.000 1.223 133 D CA 0.601 54.617 54.000 0.026 0.000 0.886 133 D CB 0.752 41.565 40.800 0.022 0.000 1.120 133 D HN 0.456 nan 8.370 nan 0.000 0.482 134 R N 1.362 121.835 120.500 -0.044 0.000 2.778 134 R HA 0.651 4.985 4.340 -0.011 0.000 0.277 134 R C -1.229 175.026 176.300 -0.074 0.000 0.977 134 R CA -0.728 55.293 56.100 -0.131 0.000 0.950 134 R CB 1.472 31.676 30.300 -0.160 0.000 1.165 134 R HN 0.139 nan 8.270 nan 0.000 0.474 135 V N 3.893 123.721 119.914 -0.142 0.000 2.962 135 V HA 0.535 4.648 4.120 -0.011 0.000 0.313 135 V C -0.871 175.151 176.094 -0.119 0.000 1.099 135 V CA -0.900 61.326 62.300 -0.123 0.000 0.971 135 V CB 2.253 33.896 31.823 -0.300 0.000 1.028 135 V HN 0.570 nan 8.190 nan 0.000 0.430 136 I N 3.207 123.704 120.570 -0.122 0.000 2.389 136 I HA 0.380 4.544 4.170 -0.011 0.000 0.288 136 I C -0.220 175.876 176.117 -0.035 0.000 0.999 136 I CA -0.590 60.612 61.300 -0.163 0.000 1.129 136 I CB 1.833 39.626 38.000 -0.345 0.000 1.288 136 I HN 0.288 nan 8.210 nan 0.000 0.444 137 V N 5.759 125.668 119.914 -0.007 0.000 2.408 137 V HA 0.186 4.299 4.120 -0.011 0.000 0.267 137 V C 0.746 176.840 176.094 -0.000 0.000 1.047 137 V CA -0.722 61.586 62.300 0.012 0.000 0.937 137 V CB 0.777 32.599 31.823 -0.001 0.000 0.999 137 V HN 0.870 nan 8.190 nan 0.000 0.472 138 S N 4.870 120.574 115.700 0.006 0.000 2.509 138 S HA 0.316 4.780 4.470 -0.011 0.000 0.287 138 S C -0.162 174.439 174.600 0.001 0.000 1.248 138 S CA -0.740 57.464 58.200 0.007 0.000 1.089 138 S CB 0.157 63.364 63.200 0.012 0.000 0.900 138 S HN 0.897 nan 8.310 nan 0.000 0.496 139 Q N 3.000 122.806 119.800 0.009 0.000 2.257 139 Q HA 0.758 5.092 4.340 -0.011 0.000 0.262 139 Q C -0.157 175.858 176.000 0.025 0.000 0.997 139 Q CA -1.199 54.611 55.803 0.012 0.000 0.873 139 Q CB 1.108 29.858 28.738 0.020 0.000 1.312 139 Q HN 0.819 nan 8.270 nan 0.000 0.450 140 I N -1.127 119.449 120.570 0.010 0.000 2.918 140 I HA 0.775 4.939 4.170 -0.011 0.000 0.316 140 I C -0.421 175.731 176.117 0.058 0.000 1.001 140 I CA -0.930 60.356 61.300 -0.024 0.000 1.142 140 I CB 1.181 39.146 38.000 -0.059 0.000 1.356 140 I HN 1.040 nan 8.210 nan 0.000 0.524 141 H N 0.173 119.233 119.070 -0.016 0.000 2.883 141 H HA 0.429 4.978 4.556 -0.011 0.000 0.277 141 H C -1.274 174.056 175.328 0.003 0.000 1.451 141 H CA -1.244 54.801 56.048 -0.004 0.000 1.157 141 H CB 0.807 30.559 29.762 -0.017 0.000 1.851 141 H HN 0.715 nan 8.280 nan 0.000 0.566 142 R N 2.076 122.719 120.500 0.239 0.000 2.248 142 R HA 0.264 4.597 4.340 -0.011 0.000 0.337 142 R C -0.505 175.951 176.300 0.260 0.000 1.106 142 R CA 0.081 56.261 56.100 0.133 0.000 0.959 142 R CB 0.007 30.364 30.300 0.095 0.000 1.075 142 R HN 0.809 nan 8.270 nan 0.000 0.480 143 S N 4.555 120.338 115.700 0.139 0.000 2.599 143 S HA 0.029 4.492 4.470 -0.011 0.000 0.303 143 S C -2.274 172.501 174.600 0.291 0.000 1.267 143 S CA -0.938 57.403 58.200 0.235 0.000 1.055 143 S CB 0.477 63.892 63.200 0.359 0.000 0.790 143 S HN 0.476 nan 8.310 nan 0.000 0.500 144 P HA 0.446 nan 4.420 nan 0.000 0.269 144 P C 0.508 177.828 177.300 0.034 0.000 1.252 144 P CA 0.361 63.483 63.100 0.036 0.000 0.780 144 P CB 0.537 32.207 31.700 -0.050 0.000 0.829 145 G N 1.454 110.193 108.800 -0.101 0.000 2.494 145 G HA2 0.398 4.352 3.960 -0.011 0.000 0.308 145 G HA3 0.398 4.352 3.960 -0.011 0.000 0.308 145 G C -1.648 172.789 174.900 -0.772 0.000 1.263 145 G CA -0.422 44.462 45.100 -0.361 0.000 0.840 145 G HN 0.234 nan 8.290 nan 0.000 0.479 146 V N 0.477 119.846 119.914 -0.908 0.000 2.483 146 V HA 0.752 4.866 4.120 -0.011 0.000 0.295 146 V C -0.980 174.506 176.094 -1.014 0.000 1.035 146 V CA -0.354 61.471 62.300 -0.792 0.000 0.896 146 V CB 0.795 32.383 31.823 -0.390 0.000 0.986 146 V HN 0.634 nan 8.190 nan 0.000 0.447 147 Y N 2.765 122.954 120.300 -0.184 0.000 2.615 147 Y HA 0.709 5.252 4.550 -0.011 0.000 0.341 147 Y C -0.971 174.747 175.900 -0.303 0.000 1.089 147 Y CA -1.057 57.028 58.100 -0.025 0.000 1.049 147 Y CB 2.212 40.674 38.460 0.004 0.000 1.296 147 Y HN 0.466 nan 8.280 nan 0.000 0.470 148 F N 0.411 120.474 119.950 0.188 0.000 2.676 148 F HA 0.313 4.833 4.527 -0.011 0.000 0.371 148 F C 0.011 175.845 175.800 0.056 0.000 1.141 148 F CA -0.922 57.142 58.000 0.107 0.000 1.133 148 F CB 1.619 40.645 39.000 0.044 0.000 1.376 148 F HN 0.248 nan 8.300 nan 0.000 0.491 149 T N 3.648 118.320 114.554 0.196 0.000 2.771 149 T HA 0.404 4.748 4.350 -0.011 0.000 0.291 149 T C -2.688 172.122 174.700 0.183 0.000 0.954 149 T CA -2.222 59.966 62.100 0.147 0.000 1.045 149 T CB 0.729 69.673 68.868 0.127 0.000 0.917 149 T HN 0.060 nan 8.240 nan 0.000 0.484 150 P HA 0.027 nan 4.420 nan 0.000 0.257 150 P C -0.216 177.225 177.300 0.235 0.000 1.189 150 P CA -0.057 63.211 63.100 0.279 0.000 0.780 150 P CB 0.184 31.989 31.700 0.176 0.000 0.772 151 D N 6.850 127.404 120.400 0.256 0.000 2.581 151 D HA -0.088 4.546 4.640 -0.011 0.000 0.238 151 D C -0.990 175.371 176.300 0.102 0.000 1.145 151 D CA -0.980 53.103 54.000 0.138 0.000 0.866 151 D CB 0.763 41.614 40.800 0.086 0.000 1.151 151 D HN 0.221 nan 8.370 nan 0.000 0.500 152 P HA -0.193 nan 4.420 nan 0.000 0.208 152 P C 1.163 178.488 177.300 0.041 0.000 1.200 152 P CA 1.530 64.665 63.100 0.058 0.000 0.924 152 P CB -0.145 31.584 31.700 0.048 0.000 0.774 153 A N 1.178 124.016 122.820 0.030 0.000 1.879 153 A HA -0.235 4.078 4.320 -0.011 0.000 0.222 153 A C 1.823 179.415 177.584 0.014 0.000 1.368 153 A CA 1.911 53.959 52.037 0.018 0.000 0.707 153 A CB -1.727 17.281 19.000 0.014 0.000 0.846 153 A HN 0.302 nan 8.150 nan 0.000 0.468 154 R N 1.020 121.526 120.500 0.010 0.000 2.248 154 R HA 0.232 4.565 4.340 -0.011 0.000 0.337 154 R C -2.442 173.859 176.300 0.002 0.000 1.085 154 R CA -1.325 54.773 56.100 -0.002 0.000 0.934 154 R CB 0.338 30.628 30.300 -0.017 0.000 1.034 154 R HN 0.158 nan 8.270 nan 0.000 0.465 155 P HA 0.081 nan 4.420 nan 0.000 0.263 155 P C 0.393 177.692 177.300 -0.003 0.000 1.386 155 P CA 0.464 63.574 63.100 0.017 0.000 0.797 155 P CB 0.573 32.283 31.700 0.016 0.000 1.381 156 G N -1.240 107.537 108.800 -0.038 0.000 2.486 156 G HA2 0.045 3.998 3.960 -0.011 0.000 0.210 156 G HA3 0.045 3.998 3.960 -0.011 0.000 0.210 156 G C 1.066 175.860 174.900 -0.177 0.000 1.168 156 G CA 0.466 45.519 45.100 -0.079 0.000 0.820 156 G HN 0.178 nan 8.290 nan 0.000 0.544 157 R N -1.462 118.888 120.500 -0.250 0.000 3.407 157 R HA 0.600 4.934 4.340 -0.011 0.000 0.249 157 R C -1.844 174.149 176.300 -0.511 0.000 1.359 157 R CA -1.052 54.663 56.100 -0.642 0.000 1.012 157 R CB 0.237 30.231 30.300 -0.510 0.000 1.511 157 R HN 0.237 nan 8.270 nan 0.000 0.474 158 Y N -0.727 119.608 120.300 0.058 0.000 2.624 158 Y HA 0.523 5.066 4.550 -0.011 0.000 0.334 158 Y C -0.503 175.456 175.900 0.098 0.000 1.155 158 Y CA -1.590 56.558 58.100 0.080 0.000 1.046 158 Y CB 0.647 39.168 38.460 0.101 0.000 1.316 158 Y HN 0.427 nan 8.280 nan 0.000 0.457 159 I N 0.868 121.599 120.570 0.269 0.000 2.353 159 I HA 0.927 5.090 4.170 -0.011 0.000 0.293 159 I C -0.047 176.147 176.117 0.128 0.000 0.992 159 I CA -0.928 60.471 61.300 0.166 0.000 1.268 159 I CB 1.474 39.538 38.000 0.106 0.000 1.387 159 I HN 0.789 nan 8.210 nan 0.000 0.478 160 A N 4.761 127.592 122.820 0.019 0.000 2.294 160 A HA 0.912 5.226 4.320 -0.011 0.000 0.330 160 A C -0.084 177.362 177.584 -0.229 0.000 1.133 160 A CA -0.338 51.524 52.037 -0.293 0.000 0.836 160 A CB 1.120 19.800 19.000 -0.533 0.000 1.190 160 A HN 0.976 nan 8.150 nan 0.000 0.492 161 S N -0.546 114.961 115.700 -0.322 0.000 2.587 161 S HA 0.743 5.207 4.470 -0.011 0.000 0.269 161 S C -1.002 173.434 174.600 -0.273 0.000 1.154 161 S CA -0.616 57.478 58.200 -0.177 0.000 0.824 161 S CB 0.613 63.832 63.200 0.031 0.000 1.118 161 S HN 0.684 nan 8.310 nan 0.000 0.462 162 I N 0.649 121.053 120.570 -0.278 0.000 2.892 162 I HA 0.585 4.748 4.170 -0.011 0.000 0.306 162 I C -1.126 174.670 176.117 -0.536 0.000 1.078 162 I CA -1.199 59.876 61.300 -0.375 0.000 1.032 162 I CB 2.092 39.883 38.000 -0.349 0.000 1.229 162 I HN 0.645 nan 8.210 nan 0.000 0.435 163 I N 5.239 125.502 120.570 -0.512 0.000 2.700 163 I HA 0.217 4.381 4.170 -0.011 0.000 0.272 163 I C -2.592 173.290 176.117 -0.391 0.000 1.293 163 I CA -1.346 59.548 61.300 -0.676 0.000 0.989 163 I CB 1.551 39.026 38.000 -0.876 0.000 1.301 163 I HN 0.202 nan 8.210 nan 0.000 0.525 164 P HA 0.183 nan 4.420 nan 0.000 0.274 164 P C 0.025 177.224 177.300 -0.169 0.000 1.246 164 P CA -0.268 62.733 63.100 -0.165 0.000 0.795 164 P CB 2.039 33.677 31.700 -0.104 0.000 1.006 165 L N 0.738 121.875 121.223 -0.143 0.000 3.017 165 L HA 0.243 4.577 4.340 -0.011 0.000 0.255 165 L C -1.514 175.286 176.870 -0.116 0.000 1.247 165 L CA -1.359 53.389 54.840 -0.153 0.000 1.038 165 L CB -0.019 41.905 42.059 -0.224 0.000 1.380 165 L HN 0.303 nan 8.230 nan 0.000 0.548 166 P HA 0.026 nan 4.420 nan 0.000 0.276 166 P C 0.230 177.501 177.300 -0.048 0.000 1.261 166 P CA -0.417 62.645 63.100 -0.063 0.000 0.800 166 P CB 1.132 32.809 31.700 -0.038 0.000 1.066 167 K N 0.253 120.620 120.400 -0.055 0.000 2.362 167 K HA -0.073 4.240 4.320 -0.011 0.000 0.200 167 K C 0.432 177.020 176.600 -0.021 0.000 1.046 167 K CA 0.841 57.102 56.287 -0.044 0.000 0.952 167 K CB 0.210 32.674 32.500 -0.060 0.000 0.753 167 K HN 0.236 nan 8.250 nan 0.000 0.466 168 R N 0.126 120.617 120.500 -0.015 0.000 2.688 168 R HA 0.218 4.551 4.340 -0.011 0.000 0.396 168 R C -0.250 176.053 176.300 0.004 0.000 1.081 168 R CA -0.152 55.947 56.100 -0.001 0.000 1.093 168 R CB 1.134 31.434 30.300 -0.001 0.000 1.338 168 R HN 0.100 nan 8.270 nan 0.000 0.613 169 G N 1.287 110.089 108.800 0.003 0.000 2.461 169 G HA2 0.586 4.540 3.960 -0.011 0.000 0.329 169 G HA3 0.586 4.540 3.960 -0.011 0.000 0.329 169 G C -2.552 172.344 174.900 -0.007 0.000 1.170 169 G CA -1.306 43.788 45.100 -0.011 0.000 0.935 169 G HN -0.135 nan 8.290 nan 0.000 0.492 170 P HA 0.059 nan 4.420 nan 0.000 0.269 170 P C -0.784 176.545 177.300 0.048 0.000 1.211 170 P CA 0.069 63.130 63.100 -0.065 0.000 0.781 170 P CB 0.512 32.132 31.700 -0.134 0.000 0.877 171 W N 4.405 125.640 121.300 -0.108 0.000 2.183 171 W HA 0.306 4.959 4.660 -0.011 0.000 0.289 171 W C -1.553 174.917 176.519 -0.081 0.000 1.029 171 W CA -0.488 56.808 57.345 -0.081 0.000 1.264 171 W CB 0.198 29.621 29.460 -0.060 0.000 1.232 171 W HN 0.208 nan 8.180 nan 0.000 0.311 172 I N 3.890 124.499 120.570 0.065 0.000 2.638 172 I HA 0.278 4.441 4.170 -0.011 0.000 0.286 172 I C 0.432 176.581 176.117 0.053 0.000 1.088 172 I CA 0.647 61.959 61.300 0.021 0.000 1.397 172 I CB 0.989 38.891 38.000 -0.164 0.000 1.414 172 I HN 0.135 nan 8.210 nan 0.000 0.566 173 D N 5.740 126.161 120.400 0.035 0.000 2.837 173 D HA 0.517 5.151 4.640 -0.011 0.000 0.220 173 D C -1.649 174.645 176.300 -0.010 0.000 1.236 173 D CA -0.372 53.644 54.000 0.027 0.000 0.838 173 D CB 2.069 42.924 40.800 0.091 0.000 1.647 173 D HN 0.391 nan 8.370 nan 0.000 0.486 174 L N 1.757 122.969 121.223 -0.018 0.000 2.350 174 L HA 0.692 5.025 4.340 -0.011 0.000 0.260 174 L C -0.073 176.813 176.870 0.027 0.000 1.015 174 L CA -0.672 54.166 54.840 -0.003 0.000 0.821 174 L CB 2.543 44.607 42.059 0.009 0.000 1.370 174 L HN 0.534 nan 8.230 nan 0.000 0.416 175 E N 0.461 120.675 120.200 0.023 0.000 2.388 175 E HA 0.664 5.007 4.350 -0.011 0.000 0.269 175 E C -2.106 174.498 176.600 0.008 0.000 1.172 175 E CA -0.653 55.763 56.400 0.027 0.000 0.887 175 E CB 2.779 32.490 29.700 0.018 0.000 1.544 175 E HN 0.372 nan 8.360 nan 0.000 0.451 176 V N -1.302 118.609 119.914 -0.006 0.000 3.036 176 V HA 0.442 4.555 4.120 -0.011 0.000 0.280 176 V C -1.220 174.855 176.094 -0.032 0.000 1.497 176 V CA -0.853 61.435 62.300 -0.020 0.000 0.982 176 V CB 1.682 33.492 31.823 -0.021 0.000 1.171 176 V HN 0.739 nan 8.190 nan 0.000 0.444 177 E N 3.930 124.112 120.200 -0.030 0.000 3.588 177 E HA 0.278 4.622 4.350 -0.011 0.000 0.213 177 E C -1.719 174.861 176.600 -0.033 0.000 1.168 177 E CA -1.480 54.901 56.400 -0.032 0.000 1.254 177 E CB 1.458 31.145 29.700 -0.022 0.000 1.302 177 E HN 0.761 nan 8.360 nan 0.000 0.429 178 P HA -0.326 nan 4.420 nan 0.000 0.221 178 P C 1.134 178.408 177.300 -0.044 0.000 1.151 178 P CA 1.288 64.360 63.100 -0.047 0.000 0.843 178 P CB 0.161 31.817 31.700 -0.073 0.000 0.778 179 N N -0.079 118.596 118.700 -0.041 0.000 2.238 179 N HA -0.230 4.504 4.740 -0.011 0.000 0.200 179 N C 1.626 177.115 175.510 -0.034 0.000 0.968 179 N CA 2.166 55.194 53.050 -0.036 0.000 0.922 179 N CB -0.410 38.059 38.487 -0.029 0.000 1.059 179 N HN 0.356 nan 8.380 nan 0.000 0.551 180 G N -1.097 107.684 108.800 -0.032 0.000 2.501 180 G HA2 0.131 4.085 3.960 -0.011 0.000 0.211 180 G HA3 0.131 4.085 3.960 -0.011 0.000 0.211 180 G C -0.265 174.617 174.900 -0.029 0.000 1.409 180 G CA -0.133 44.947 45.100 -0.034 0.000 0.531 180 G HN 0.125 nan 8.290 nan 0.000 1.086 181 V N 3.087 122.986 119.914 -0.026 0.000 2.441 181 V HA 0.130 4.244 4.120 -0.011 0.000 0.279 181 V C 0.408 176.484 176.094 -0.029 0.000 0.990 181 V CA 0.161 62.447 62.300 -0.024 0.000 1.116 181 V CB 0.803 32.615 31.823 -0.018 0.000 0.977 181 V HN 0.135 nan 8.190 nan 0.000 0.470 182 V N 4.636 124.528 119.914 -0.037 0.000 2.174 182 V HA 0.131 4.245 4.120 -0.011 0.000 0.259 182 V C 0.873 176.909 176.094 -0.096 0.000 1.261 182 V CA -0.316 61.968 62.300 -0.028 0.000 1.137 182 V CB 0.127 31.948 31.823 -0.002 0.000 1.290 182 V HN 0.885 nan 8.190 nan 0.000 0.486 183 S N 5.536 121.193 115.700 -0.071 0.000 2.780 183 S HA 0.081 4.544 4.470 -0.011 0.000 0.339 183 S C 0.193 174.713 174.600 -0.133 0.000 1.183 183 S CA 0.411 58.555 58.200 -0.093 0.000 1.358 183 S CB -0.281 62.896 63.200 -0.040 0.000 1.167 183 S HN 0.640 nan 8.310 nan 0.000 0.556 184 M N 5.013 124.435 119.600 -0.296 0.000 2.060 184 M HA 0.236 4.709 4.480 -0.011 0.000 0.342 184 M C -0.879 175.285 176.300 -0.227 0.000 1.031 184 M CA -0.391 54.716 55.300 -0.322 0.000 0.981 184 M CB 0.188 32.438 32.600 -0.584 0.000 1.376 184 M HN 0.381 nan 8.290 nan 0.000 0.397 185 K N 3.203 123.570 120.400 -0.054 0.000 2.276 185 K HA 0.304 4.618 4.320 -0.011 0.000 0.283 185 K C 0.919 177.568 176.600 0.082 0.000 1.044 185 K CA -0.424 55.883 56.287 0.034 0.000 0.944 185 K CB 1.688 34.205 32.500 0.028 0.000 1.012 185 K HN 0.577 nan 8.250 nan 0.000 0.472 186 V N 0.517 120.509 119.914 0.130 0.000 2.785 186 V HA 0.039 4.153 4.120 -0.011 0.000 0.226 186 V C 0.928 177.062 176.094 0.067 0.000 1.127 186 V CA 0.405 62.779 62.300 0.124 0.000 1.193 186 V CB -0.177 31.750 31.823 0.173 0.000 0.926 186 V HN 0.674 nan 8.190 nan 0.000 0.507 187 N N -0.439 118.288 118.700 0.044 0.000 2.571 187 N HA 0.236 4.970 4.740 -0.011 0.000 0.195 187 N C 0.771 176.270 175.510 -0.017 0.000 1.040 187 N CA 0.891 53.941 53.050 -0.000 0.000 0.890 187 N CB 0.562 39.047 38.487 -0.004 0.000 1.233 187 N HN 0.466 nan 8.380 nan 0.000 0.435 188 K N 0.077 120.483 120.400 0.010 0.000 2.612 188 K HA 0.211 4.524 4.320 -0.011 0.000 0.177 188 K C -0.607 176.014 176.600 0.035 0.000 1.333 188 K CA 0.000 56.290 56.287 0.005 0.000 1.120 188 K CB 1.548 34.043 32.500 -0.008 0.000 1.121 188 K HN 0.050 nan 8.250 nan 0.000 0.556 189 R N 1.951 122.490 120.500 0.066 0.000 2.483 189 R HA 0.306 4.640 4.340 -0.011 0.000 0.303 189 R C -0.273 176.145 176.300 0.196 0.000 0.987 189 R CA -0.553 55.610 56.100 0.105 0.000 0.881 189 R CB 2.049 32.399 30.300 0.085 0.000 1.177 189 R HN 0.046 nan 8.270 nan 0.000 0.451 190 K N 1.990 122.512 120.400 0.203 0.000 2.354 190 K HA 0.738 5.052 4.320 -0.011 0.000 0.238 190 K C -0.413 176.441 176.600 0.424 0.000 1.068 190 K CA -0.651 55.789 56.287 0.254 0.000 0.925 190 K CB 1.309 33.844 32.500 0.058 0.000 1.286 190 K HN 0.382 nan 8.250 nan 0.000 0.500 191 F N -4.965 115.007 119.950 0.038 0.000 3.548 191 F HA 0.341 4.861 4.527 -0.011 0.000 0.326 191 F C -3.370 172.452 175.800 0.037 0.000 1.036 191 F CA -2.214 55.806 58.000 0.033 0.000 0.820 191 F CB -0.214 38.809 39.000 0.038 0.000 1.590 191 F HN 0.276 nan 8.300 nan 0.000 0.460 192 P HA 0.285 nan 4.420 nan 0.000 0.276 192 P C 0.461 177.657 177.300 -0.173 0.000 1.230 192 P CA -0.092 62.964 63.100 -0.073 0.000 0.776 192 P CB 1.069 32.798 31.700 0.049 0.000 0.888 193 L N 5.085 126.191 121.223 -0.194 0.000 2.376 193 L HA -0.105 4.228 4.340 -0.011 0.000 0.219 193 L C 1.627 178.532 176.870 0.058 0.000 1.133 193 L CA 1.499 56.275 54.840 -0.106 0.000 0.816 193 L CB -0.590 41.451 42.059 -0.030 0.000 0.933 193 L HN 0.098 nan 8.230 nan 0.000 0.449 194 V N 0.277 120.230 119.914 0.065 0.000 2.287 194 V HA -0.354 3.760 4.120 -0.011 0.000 0.248 194 V C 2.548 178.704 176.094 0.104 0.000 1.053 194 V CA 2.254 64.602 62.300 0.079 0.000 1.027 194 V CB -1.078 30.776 31.823 0.052 0.000 0.646 194 V HN 0.552 nan 8.190 nan 0.000 0.447 195 L N -0.244 121.072 121.223 0.155 0.000 2.051 195 L HA -0.234 4.099 4.340 -0.011 0.000 0.214 195 L C 2.441 179.383 176.870 0.120 0.000 1.076 195 L CA 1.810 56.754 54.840 0.173 0.000 0.758 195 L CB -1.236 40.970 42.059 0.245 0.000 0.890 195 L HN 0.289 nan 8.230 nan 0.000 0.433 196 L N -0.050 121.253 121.223 0.135 0.000 2.093 196 L HA -0.130 4.203 4.340 -0.011 0.000 0.208 196 L C 2.688 179.524 176.870 -0.058 0.000 1.085 196 L CA 0.836 55.686 54.840 0.016 0.000 0.755 196 L CB -0.697 41.361 42.059 -0.001 0.000 0.904 196 L HN 0.278 nan 8.230 nan 0.000 0.435 197 L N -0.021 121.204 121.223 0.003 0.000 2.129 197 L HA -0.216 4.117 4.340 -0.011 0.000 0.212 197 L C 2.807 179.685 176.870 0.013 0.000 1.087 197 L CA 1.193 56.053 54.840 0.035 0.000 0.757 197 L CB -0.633 41.475 42.059 0.083 0.000 0.896 197 L HN 0.263 nan 8.230 nan 0.000 0.434 198 R N 0.290 120.788 120.500 -0.004 0.000 2.127 198 R HA -0.012 4.321 4.340 -0.011 0.000 0.217 198 R C 1.993 178.221 176.300 -0.120 0.000 1.074 198 R CA 0.819 56.893 56.100 -0.043 0.000 0.991 198 R CB -0.612 29.697 30.300 0.014 0.000 0.895 198 R HN 0.096 nan 8.270 nan 0.000 0.450 199 V N 1.367 121.223 119.914 -0.097 0.000 2.568 199 V HA -0.224 3.889 4.120 -0.011 0.000 0.253 199 V C 2.089 178.076 176.094 -0.178 0.000 1.072 199 V CA 1.569 63.800 62.300 -0.115 0.000 1.084 199 V CB -0.553 31.205 31.823 -0.109 0.000 0.676 199 V HN 0.283 nan 8.190 nan 0.000 0.469 200 L N 0.228 121.294 121.223 -0.261 0.000 2.217 200 L HA 0.139 4.472 4.340 -0.011 0.000 0.211 200 L C 1.872 178.232 176.870 -0.850 0.000 1.107 200 L CA 1.237 55.824 54.840 -0.422 0.000 0.783 200 L CB -0.575 41.299 42.059 -0.309 0.000 0.919 200 L HN 0.566 nan 8.230 nan 0.000 0.442 201 G N -1.563 106.802 108.800 -0.725 0.000 2.159 201 G HA2 -0.213 3.741 3.960 -0.011 0.000 0.170 201 G HA3 -0.213 3.741 3.960 -0.011 0.000 0.170 201 G C -0.372 174.200 174.900 -0.545 0.000 1.007 201 G CA -0.577 44.161 45.100 -0.604 0.000 0.672 201 G HN 0.192 nan 8.290 nan 0.000 0.507 202 Y N 1.462 121.767 120.300 0.008 0.000 2.409 202 Y HA 0.615 5.158 4.550 -0.011 0.000 0.343 202 Y C 0.258 176.168 175.900 0.016 0.000 0.973 202 Y CA -1.628 56.478 58.100 0.010 0.000 1.064 202 Y CB 1.321 39.784 38.460 0.006 0.000 1.207 202 Y HN 0.264 nan 8.280 nan 0.000 0.452 203 D N -0.492 120.003 120.400 0.157 0.000 2.564 203 D HA 0.230 4.863 4.640 -0.011 0.000 0.273 203 D C 0.719 177.077 176.300 0.096 0.000 1.192 203 D CA -0.677 53.384 54.000 0.102 0.000 1.080 203 D CB 0.620 41.467 40.800 0.078 0.000 1.160 203 D HN 0.529 nan 8.370 nan 0.000 0.607 204 Q N -0.658 119.187 119.800 0.075 0.000 2.152 204 Q HA -0.239 4.095 4.340 -0.011 0.000 0.206 204 Q C 1.748 177.779 176.000 0.051 0.000 0.985 204 Q CA 1.672 57.511 55.803 0.060 0.000 0.863 204 Q CB -0.093 28.675 28.738 0.050 0.000 0.904 204 Q HN 0.651 nan 8.270 nan 0.000 0.422 205 E N 0.209 120.440 120.200 0.051 0.000 1.998 205 E HA -0.210 4.133 4.350 -0.011 0.000 0.196 205 E C 2.023 178.644 176.600 0.036 0.000 1.003 205 E CA 2.064 58.489 56.400 0.040 0.000 0.829 205 E CB -0.085 29.640 29.700 0.042 0.000 0.777 205 E HN 0.435 nan 8.360 nan 0.000 0.460 206 T N -0.554 114.031 114.554 0.052 0.000 2.778 206 T HA -0.168 4.176 4.350 -0.011 0.000 0.269 206 T C 1.940 176.642 174.700 0.003 0.000 1.050 206 T CA 1.454 63.575 62.100 0.034 0.000 1.137 206 T CB -0.279 68.633 68.868 0.073 0.000 0.860 206 T HN 0.108 nan 8.240 nan 0.000 0.468 207 L N 0.650 121.892 121.223 0.032 0.000 2.378 207 L HA 0.458 4.791 4.340 -0.011 0.000 0.195 207 L C 3.151 180.023 176.870 0.003 0.000 1.287 207 L CA 0.487 55.334 54.840 0.012 0.000 1.364 207 L CB -1.072 41.023 42.059 0.060 0.000 1.310 207 L HN 0.184 nan 8.230 nan 0.000 0.732 208 A N 0.077 122.916 122.820 0.031 0.000 2.009 208 A HA -0.284 4.030 4.320 -0.011 0.000 0.222 208 A C 2.264 179.855 177.584 0.011 0.000 1.175 208 A CA 2.191 54.251 52.037 0.038 0.000 0.651 208 A CB -0.612 18.420 19.000 0.053 0.000 0.815 208 A HN 0.373 nan 8.150 nan 0.000 0.459 209 R N -0.411 120.093 120.500 0.008 0.000 2.062 209 R HA 0.029 4.362 4.340 -0.011 0.000 0.226 209 R C 2.057 178.347 176.300 -0.017 0.000 1.125 209 R CA 1.709 57.809 56.100 -0.000 0.000 0.966 209 R CB -0.499 29.806 30.300 0.009 0.000 0.861 209 R HN 0.756 nan 8.270 nan 0.000 0.433 210 E N -0.214 119.973 120.200 -0.022 0.000 2.158 210 E HA -0.088 4.255 4.350 -0.011 0.000 0.191 210 E C 1.615 178.175 176.600 -0.065 0.000 0.982 210 E CA 0.829 57.211 56.400 -0.030 0.000 0.823 210 E CB -0.006 29.680 29.700 -0.024 0.000 0.766 210 E HN 0.107 nan 8.360 nan 0.000 0.468 211 L N -0.101 121.063 121.223 -0.097 0.000 2.130 211 L HA 0.221 4.554 4.340 -0.011 0.000 0.200 211 L C 2.006 178.690 176.870 -0.310 0.000 1.075 211 L CA 1.767 56.483 54.840 -0.208 0.000 0.768 211 L CB -0.725 41.235 42.059 -0.165 0.000 0.933 211 L HN 0.002 nan 8.230 nan 0.000 0.451 212 G N -0.519 108.214 108.800 -0.112 0.000 2.894 212 G HA2 0.035 3.988 3.960 -0.011 0.000 0.203 212 G HA3 0.035 3.988 3.960 -0.011 0.000 0.203 212 G C 1.120 175.957 174.900 -0.106 0.000 1.173 212 G CA 0.740 45.811 45.100 -0.047 0.000 0.854 212 G HN 0.714 nan 8.290 nan 0.000 0.510 213 A N 1.125 123.837 122.820 -0.180 0.000 1.858 213 A HA 0.134 4.447 4.320 -0.011 0.000 0.215 213 A C 2.086 179.646 177.584 -0.040 0.000 1.320 213 A CA 1.434 53.418 52.037 -0.088 0.000 0.601 213 A CB -0.881 18.090 19.000 -0.048 0.000 0.976 213 A HN 0.669 nan 8.150 nan 0.000 0.470 214 Y N -0.073 120.268 120.300 0.067 0.000 2.315 214 Y HA 0.132 4.676 4.550 -0.011 0.000 0.288 214 Y C 1.537 177.475 175.900 0.063 0.000 1.154 214 Y CA 0.194 58.329 58.100 0.058 0.000 1.229 214 Y CB -1.335 37.163 38.460 0.063 0.000 0.980 214 Y HN 0.133 nan 8.280 nan 0.000 0.540 215 G N 2.528 111.267 108.800 -0.101 0.000 3.741 215 G HA2 0.081 4.034 3.960 -0.011 0.000 0.263 215 G HA3 0.081 4.034 3.960 -0.011 0.000 0.263 215 G C 0.925 175.784 174.900 -0.070 0.000 1.175 215 G CA 0.081 45.174 45.100 -0.011 0.000 1.642 215 G HN 0.529 nan 8.290 nan 0.000 0.644 216 E N 0.346 120.528 120.200 -0.029 0.000 2.333 216 E HA -0.190 4.153 4.350 -0.011 0.000 0.200 216 E C 1.390 177.952 176.600 -0.063 0.000 1.010 216 E CA 0.607 56.987 56.400 -0.033 0.000 0.841 216 E CB -0.286 29.409 29.700 -0.009 0.000 0.757 216 E HN 0.580 nan 8.360 nan 0.000 0.508 217 L N 1.480 122.637 121.223 -0.110 0.000 2.660 217 L HA 0.118 4.451 4.340 -0.011 0.000 0.238 217 L C 1.919 178.671 176.870 -0.196 0.000 1.161 217 L CA -0.191 54.558 54.840 -0.151 0.000 0.937 217 L CB 0.122 42.069 42.059 -0.187 0.000 1.122 217 L HN -0.056 nan 8.230 nan 0.000 0.435 218 V N 0.152 119.982 119.914 -0.140 0.000 3.593 218 V HA -0.136 3.977 4.120 -0.011 0.000 0.275 218 V C 1.833 177.910 176.094 -0.029 0.000 1.237 218 V CA 1.087 63.349 62.300 -0.063 0.000 1.194 218 V CB -0.364 31.491 31.823 0.054 0.000 0.949 218 V HN 0.620 nan 8.190 nan 0.000 0.467 219 Q N 0.139 119.905 119.800 -0.056 0.000 2.311 219 Q HA 0.045 4.379 4.340 -0.011 0.000 0.203 219 Q C 2.036 178.013 176.000 -0.039 0.000 0.954 219 Q CA 0.987 56.768 55.803 -0.038 0.000 0.885 219 Q CB -0.182 28.530 28.738 -0.043 0.000 0.963 219 Q HN 0.712 nan 8.270 nan 0.000 0.471 220 G N 0.113 108.876 108.800 -0.061 0.000 2.990 220 G HA2 0.044 3.998 3.960 -0.011 0.000 0.206 220 G HA3 0.044 3.998 3.960 -0.011 0.000 0.206 220 G C 0.782 175.676 174.900 -0.010 0.000 1.169 220 G CA 0.298 45.367 45.100 -0.052 0.000 0.819 220 G HN 0.219 nan 8.290 nan 0.000 0.517 221 L N -1.402 119.826 121.223 0.009 0.000 3.383 221 L HA 0.539 4.873 4.340 -0.011 0.000 0.169 221 L C 1.055 177.936 176.870 0.017 0.000 1.161 221 L CA -0.285 54.581 54.840 0.043 0.000 0.847 221 L CB 0.204 42.329 42.059 0.110 0.000 1.514 221 L HN -0.030 nan 8.230 nan 0.000 0.582 222 M N 2.614 122.226 119.600 0.020 0.000 2.802 222 M HA -0.035 4.438 4.480 -0.011 0.000 0.335 222 M C -0.382 175.908 176.300 -0.016 0.000 1.744 222 M CA 0.840 56.144 55.300 0.008 0.000 1.363 222 M CB -0.176 32.432 32.600 0.015 0.000 1.965 222 M HN 0.393 nan 8.290 nan 0.000 0.460 223 D N 0.878 121.253 120.400 -0.042 0.000 2.335 223 D HA 0.070 4.703 4.640 -0.011 0.000 0.284 223 D C -0.143 176.083 176.300 -0.123 0.000 1.096 223 D CA 0.294 54.251 54.000 -0.073 0.000 0.844 223 D CB 0.992 41.740 40.800 -0.086 0.000 1.454 223 D HN 0.436 nan 8.370 nan 0.000 0.526 224 E N 1.338 121.445 120.200 -0.156 0.000 2.873 224 E HA 0.145 4.488 4.350 -0.011 0.000 0.232 224 E C 0.726 177.340 176.600 0.022 0.000 1.123 224 E CA -0.080 56.186 56.400 -0.223 0.000 0.809 224 E CB 1.381 30.551 29.700 -0.883 0.000 1.366 224 E HN 0.011 nan 8.360 nan 0.000 0.400 225 S N -0.276 115.471 115.700 0.078 0.000 2.406 225 S HA -0.145 4.319 4.470 -0.011 0.000 0.228 225 S C 1.914 176.611 174.600 0.161 0.000 1.020 225 S CA 1.195 59.457 58.200 0.104 0.000 0.965 225 S CB -0.524 62.718 63.200 0.071 0.000 0.798 225 S HN 0.245 nan 8.310 nan 0.000 0.488 226 V N -1.281 118.773 119.914 0.234 0.000 2.343 226 V HA -0.028 4.086 4.120 -0.011 0.000 0.247 226 V C 2.152 178.372 176.094 0.210 0.000 1.051 226 V CA 1.286 63.706 62.300 0.200 0.000 1.036 226 V CB -1.672 30.263 31.823 0.187 0.000 0.654 226 V HN 0.357 nan 8.190 nan 0.000 0.451 227 F N 1.843 121.803 119.950 0.017 0.000 2.451 227 F HA 0.340 4.861 4.527 -0.011 0.000 0.299 227 F C 1.902 177.710 175.800 0.015 0.000 1.101 227 F CA 0.435 58.444 58.000 0.016 0.000 1.436 227 F CB -0.764 38.252 39.000 0.026 0.000 1.074 227 F HN 0.271 nan 8.300 nan 0.000 0.553 228 A N -0.688 122.263 122.820 0.218 0.000 3.249 228 A HA 0.577 4.891 4.320 -0.011 0.000 0.297 228 A C 0.896 178.528 177.584 0.080 0.000 1.302 228 A CA -0.130 51.981 52.037 0.123 0.000 1.074 228 A CB -0.299 18.766 19.000 0.109 0.000 1.132 228 A HN 0.378 nan 8.150 nan 0.000 0.575 229 M N -0.079 119.555 119.600 0.056 0.000 1.957 229 M HA 0.188 4.661 4.480 -0.011 0.000 0.281 229 M C 0.460 176.767 176.300 0.013 0.000 1.076 229 M CA 0.328 55.648 55.300 0.034 0.000 1.083 229 M CB 0.981 33.599 32.600 0.031 0.000 1.933 229 M HN 0.502 nan 8.290 nan 0.000 0.667 230 R N -0.385 120.116 120.500 0.002 0.000 2.576 230 R HA 0.419 4.752 4.340 -0.011 0.000 0.283 230 R C -2.821 173.467 176.300 -0.020 0.000 1.493 230 R CA -1.382 54.710 56.100 -0.013 0.000 1.170 230 R CB 0.268 30.556 30.300 -0.020 0.000 1.189 230 R HN -0.103 nan 8.270 nan 0.000 0.542 231 P HA -0.332 nan 4.420 nan 0.000 0.230 231 P C 1.008 178.288 177.300 -0.034 0.000 1.150 231 P CA 1.958 65.032 63.100 -0.043 0.000 0.933 231 P CB 0.247 31.907 31.700 -0.066 0.000 0.785 232 E N -1.068 119.113 120.200 -0.032 0.000 2.130 232 E HA -0.278 4.065 4.350 -0.011 0.000 0.196 232 E C 1.887 178.469 176.600 -0.030 0.000 0.998 232 E CA 1.725 58.108 56.400 -0.029 0.000 0.806 232 E CB -0.118 29.566 29.700 -0.028 0.000 0.738 232 E HN 0.444 nan 8.360 nan 0.000 0.459 233 E N 0.544 120.723 120.200 -0.036 0.000 2.006 233 E HA -0.137 4.207 4.350 -0.011 0.000 0.192 233 E C 2.012 178.594 176.600 -0.030 0.000 0.993 233 E CA 1.312 57.682 56.400 -0.050 0.000 0.808 233 E CB -0.910 28.740 29.700 -0.084 0.000 0.764 233 E HN 0.209 nan 8.360 nan 0.000 0.449 234 A N 1.746 124.566 122.820 0.001 0.000 1.917 234 A HA -0.192 4.122 4.320 -0.011 0.000 0.219 234 A C 2.294 179.888 177.584 0.017 0.000 1.182 234 A CA 1.800 53.867 52.037 0.051 0.000 0.633 234 A CB -1.113 17.938 19.000 0.085 0.000 0.819 234 A HN 0.384 nan 8.150 nan 0.000 0.448 235 L N -0.182 121.035 121.223 -0.009 0.000 1.957 235 L HA -0.290 4.043 4.340 -0.011 0.000 0.228 235 L C 2.459 179.323 176.870 -0.010 0.000 1.086 235 L CA 2.560 57.383 54.840 -0.029 0.000 0.796 235 L CB -0.446 41.592 42.059 -0.036 0.000 0.900 235 L HN 0.512 nan 8.230 nan 0.000 0.439 236 I N -0.530 120.041 120.570 0.001 0.000 2.069 236 I HA -0.394 3.769 4.170 -0.011 0.000 0.237 236 I C 2.740 178.888 176.117 0.051 0.000 1.053 236 I CA 1.994 63.312 61.300 0.029 0.000 1.311 236 I CB -0.663 37.333 38.000 -0.005 0.000 1.030 236 I HN 0.317 nan 8.210 nan 0.000 0.398 237 R N 0.898 121.409 120.500 0.018 0.000 2.191 237 R HA -0.253 4.081 4.340 -0.011 0.000 0.248 237 R C 2.304 178.622 176.300 0.030 0.000 1.127 237 R CA 1.922 58.036 56.100 0.023 0.000 0.943 237 R CB -1.073 29.246 30.300 0.031 0.000 0.891 237 R HN 0.361 nan 8.270 nan 0.000 0.439 238 L N -0.365 120.857 121.223 -0.003 0.000 2.151 238 L HA -0.267 4.067 4.340 -0.011 0.000 0.215 238 L C 2.431 179.275 176.870 -0.043 0.000 1.084 238 L CA 1.229 56.015 54.840 -0.090 0.000 0.764 238 L CB -0.574 41.418 42.059 -0.111 0.000 0.891 238 L HN 0.159 nan 8.230 nan 0.000 0.435 239 F N 1.234 121.119 119.950 -0.108 0.000 2.147 239 F HA -0.309 4.212 4.527 -0.011 0.000 0.301 239 F C 2.488 178.235 175.800 -0.087 0.000 1.084 239 F CA 2.020 59.967 58.000 -0.088 0.000 1.268 239 F CB -0.791 38.167 39.000 -0.070 0.000 1.009 239 F HN 0.034 nan 8.300 nan 0.000 0.486 240 T N 1.606 116.277 114.554 0.196 0.000 2.635 240 T HA -0.313 4.031 4.350 -0.011 0.000 0.265 240 T C 2.026 176.760 174.700 0.057 0.000 1.058 240 T CA 2.186 64.338 62.100 0.088 0.000 1.162 240 T CB -0.861 68.018 68.868 0.018 0.000 0.859 240 T HN 0.354 nan 8.240 nan 0.000 0.449 241 L N 0.053 121.248 121.223 -0.047 0.000 2.563 241 L HA -0.012 4.322 4.340 -0.011 0.000 0.230 241 L C 0.810 177.662 176.870 -0.029 0.000 1.162 241 L CA 0.699 55.469 54.840 -0.116 0.000 0.812 241 L CB -0.936 40.927 42.059 -0.327 0.000 0.935 241 L HN 0.261 nan 8.230 nan 0.000 0.451 242 L N -0.691 120.568 121.223 0.061 0.000 2.341 242 L HA 0.480 4.814 4.340 -0.011 0.000 0.267 242 L C 0.091 177.064 176.870 0.170 0.000 1.009 242 L CA -0.691 54.207 54.840 0.096 0.000 0.819 242 L CB 2.558 44.632 42.059 0.024 0.000 1.323 242 L HN -0.005 nan 8.230 nan 0.000 0.425 243 R N 1.436 122.009 120.500 0.121 0.000 2.573 243 R HA 0.477 4.811 4.340 -0.011 0.000 0.272 243 R C -1.935 174.440 176.300 0.125 0.000 1.009 243 R CA -0.938 55.221 56.100 0.097 0.000 1.059 243 R CB 1.538 31.872 30.300 0.056 0.000 1.112 243 R HN 0.362 nan 8.270 nan 0.000 0.517 244 P HA 0.307 nan 4.420 nan 0.000 0.212 244 P C -0.813 176.489 177.300 0.004 0.000 1.146 244 P CA -0.009 63.112 63.100 0.035 0.000 0.891 244 P CB 0.530 32.241 31.700 0.019 0.000 0.773 245 G N 0.109 108.887 108.800 -0.037 0.000 2.378 245 G HA2 0.408 4.361 3.960 -0.011 0.000 0.306 245 G HA3 0.408 4.361 3.960 -0.011 0.000 0.306 245 G C -2.358 172.439 174.900 -0.172 0.000 1.413 245 G CA -0.273 44.760 45.100 -0.110 0.000 1.123 245 G HN 0.102 nan 8.290 nan 0.000 0.587 246 D N 2.442 122.638 120.400 -0.340 0.000 2.661 246 D HA 0.573 5.207 4.640 -0.011 0.000 0.228 246 D C -2.169 173.898 176.300 -0.389 0.000 1.183 246 D CA -1.188 52.606 54.000 -0.343 0.000 0.844 246 D CB 3.291 43.872 40.800 -0.366 0.000 1.555 246 D HN 0.284 nan 8.370 nan 0.000 0.453 247 P HA 0.273 nan 4.420 nan 0.000 0.271 247 P C -2.370 174.818 177.300 -0.187 0.000 1.218 247 P CA -1.059 61.931 63.100 -0.183 0.000 0.780 247 P CB -0.021 31.613 31.700 -0.109 0.000 0.901 248 P HA -0.015 nan 4.420 nan 0.000 0.274 248 P C 1.169 178.449 177.300 -0.035 0.000 1.370 248 P CA 0.627 63.679 63.100 -0.080 0.000 0.760 248 P CB -0.117 31.546 31.700 -0.062 0.000 1.308 249 K N 1.009 121.387 120.400 -0.037 0.000 2.007 249 K HA -0.059 4.254 4.320 -0.011 0.000 0.206 249 K C 0.843 177.455 176.600 0.021 0.000 1.047 249 K CA 0.797 57.078 56.287 -0.009 0.000 0.937 249 K CB -0.014 32.477 32.500 -0.014 0.000 0.718 249 K HN 0.026 nan 8.250 nan 0.000 0.438 250 R N 2.372 122.900 120.500 0.047 0.000 4.510 250 R HA -0.012 4.321 4.340 -0.011 0.000 0.170 250 R C -0.165 176.176 176.300 0.068 0.000 1.906 250 R CA 0.367 56.511 56.100 0.075 0.000 1.492 250 R CB -0.525 29.848 30.300 0.123 0.000 1.383 250 R HN 0.459 nan 8.270 nan 0.000 0.823 251 D N 0.940 121.366 120.400 0.043 0.000 2.332 251 D HA -0.232 4.401 4.640 -0.011 0.000 0.209 251 D C 0.074 176.362 176.300 -0.021 0.000 0.988 251 D CA 1.335 55.347 54.000 0.021 0.000 0.912 251 D CB 0.056 40.869 40.800 0.023 0.000 0.899 251 D HN 0.352 nan 8.370 nan 0.000 0.477 252 K N -0.986 119.401 120.400 -0.023 0.000 3.439 252 K HA 0.515 4.828 4.320 -0.011 0.000 0.170 252 K C 0.290 176.835 176.600 -0.092 0.000 1.035 252 K CA 0.011 56.206 56.287 -0.153 0.000 0.794 252 K CB 1.322 33.674 32.500 -0.246 0.000 0.795 252 K HN 0.055 nan 8.250 nan 0.000 0.519 253 A N 0.811 123.580 122.820 -0.085 0.000 1.821 253 A HA -0.105 4.208 4.320 -0.011 0.000 0.215 253 A C 1.832 179.273 177.584 -0.238 0.000 1.216 253 A CA 1.955 53.942 52.037 -0.083 0.000 0.615 253 A CB -0.673 18.322 19.000 -0.009 0.000 0.862 253 A HN 0.226 nan 8.150 nan 0.000 0.450 254 V N -2.689 116.980 119.914 -0.409 0.000 3.573 254 V HA 0.349 4.463 4.120 -0.011 0.000 0.270 254 V C 2.060 177.507 176.094 -1.078 0.000 1.221 254 V CA 0.942 62.801 62.300 -0.736 0.000 1.163 254 V CB -1.357 30.111 31.823 -0.593 0.000 0.847 254 V HN 0.593 nan 8.190 nan 0.000 0.468 255 A N 0.265 122.673 122.820 -0.686 0.000 1.823 255 A HA -0.027 4.286 4.320 -0.011 0.000 0.214 255 A C 2.010 179.224 177.584 -0.618 0.000 1.225 255 A CA 1.637 53.220 52.037 -0.757 0.000 0.604 255 A CB -1.121 17.305 19.000 -0.957 0.000 0.878 255 A HN 0.500 nan 8.150 nan 0.000 0.450 256 Y N 0.254 120.323 120.300 -0.385 0.000 2.283 256 Y HA -0.238 4.306 4.550 -0.011 0.000 0.285 256 Y C 2.406 178.250 175.900 -0.093 0.000 1.176 256 Y CA 1.001 59.055 58.100 -0.077 0.000 1.229 256 Y CB -0.242 38.234 38.460 0.026 0.000 0.975 256 Y HN 0.146 nan 8.280 nan 0.000 0.537 257 V N -1.678 118.168 119.914 -0.113 0.000 2.453 257 V HA -0.279 3.834 4.120 -0.011 0.000 0.247 257 V C 0.791 176.961 176.094 0.127 0.000 1.048 257 V CA 1.489 63.735 62.300 -0.091 0.000 1.049 257 V CB -0.642 31.001 31.823 -0.299 0.000 0.672 257 V HN 0.421 nan 8.190 nan 0.000 0.457 258 Y N 0.129 120.425 120.300 -0.007 0.000 2.811 258 Y HA 0.532 5.075 4.550 -0.011 0.000 0.330 258 Y C 1.537 177.456 175.900 0.031 0.000 1.081 258 Y CA -0.255 57.848 58.100 0.006 0.000 1.408 258 Y CB 0.190 38.637 38.460 -0.023 0.000 1.235 258 Y HN 0.231 nan 8.280 nan 0.000 0.529 259 G N -0.038 108.878 108.800 0.194 0.000 2.485 259 G HA2 0.075 4.029 3.960 -0.011 0.000 0.192 259 G HA3 0.075 4.029 3.960 -0.011 0.000 0.192 259 G C 0.040 175.078 174.900 0.229 0.000 1.368 259 G CA 0.061 45.299 45.100 0.230 0.000 0.685 259 G HN 0.161 nan 8.290 nan 0.000 0.608 260 L N 1.233 122.594 121.223 0.231 0.000 3.289 260 L HA 0.602 4.936 4.340 -0.011 0.000 0.291 260 L C -0.374 176.584 176.870 0.146 0.000 1.279 260 L CA -0.484 54.468 54.840 0.187 0.000 1.025 260 L CB 0.095 42.279 42.059 0.209 0.000 1.413 260 L HN 0.098 nan 8.230 nan 0.000 0.593 261 I N -0.865 119.790 120.570 0.142 0.000 2.822 261 I HA 0.356 4.519 4.170 -0.011 0.000 0.312 261 I C 1.689 177.864 176.117 0.095 0.000 1.011 261 I CA -0.271 61.094 61.300 0.109 0.000 1.105 261 I CB 1.753 39.819 38.000 0.109 0.000 1.291 261 I HN 0.122 nan 8.210 nan 0.000 0.474 262 A N 2.531 125.390 122.820 0.065 0.000 2.054 262 A HA -0.263 4.051 4.320 -0.011 0.000 0.223 262 A C 1.570 179.180 177.584 0.042 0.000 1.169 262 A CA 2.143 54.205 52.037 0.043 0.000 0.655 262 A CB -0.806 18.202 19.000 0.013 0.000 0.812 262 A HN 0.878 nan 8.150 nan 0.000 0.462 263 D N 0.349 120.790 120.400 0.068 0.000 2.120 263 D HA -0.156 4.477 4.640 -0.011 0.000 0.191 263 D C -0.194 176.125 176.300 0.031 0.000 0.994 263 D CA 1.766 55.800 54.000 0.056 0.000 0.838 263 D CB -2.099 38.770 40.800 0.116 0.000 0.976 263 D HN 0.393 nan 8.370 nan 0.000 0.447 264 P HA -0.167 nan 4.420 nan 0.000 0.216 264 P C 0.556 177.869 177.300 0.022 0.000 1.153 264 P CA 1.152 64.280 63.100 0.046 0.000 0.858 264 P CB -0.233 31.532 31.700 0.107 0.000 0.789 265 R N 0.344 120.869 120.500 0.042 0.000 2.570 265 R HA 0.130 4.464 4.340 -0.011 0.000 0.277 265 R C 1.206 177.513 176.300 0.011 0.000 1.039 265 R CA -0.012 56.113 56.100 0.041 0.000 1.065 265 R CB 0.551 30.890 30.300 0.066 0.000 0.964 265 R HN 0.048 nan 8.270 nan 0.000 0.428 266 R N 2.191 122.700 120.500 0.016 0.000 2.048 266 R HA 0.040 4.374 4.340 -0.011 0.000 0.221 266 R C 0.511 176.813 176.300 0.002 0.000 1.174 266 R CA 0.819 56.905 56.100 -0.023 0.000 0.971 266 R CB -0.101 30.195 30.300 -0.007 0.000 0.863 266 R HN 0.608 nan 8.270 nan 0.000 0.439 267 Y N 0.796 121.091 120.300 -0.007 0.000 2.675 267 Y HA 0.170 4.713 4.550 -0.011 0.000 0.328 267 Y C -0.774 175.128 175.900 0.004 0.000 1.092 267 Y CA -1.507 56.592 58.100 -0.002 0.000 1.190 267 Y CB 1.737 40.205 38.460 0.012 0.000 1.350 267 Y HN -0.024 nan 8.280 nan 0.000 0.525 268 D N 2.462 123.081 120.400 0.364 0.000 2.339 268 D HA 0.275 4.908 4.640 -0.011 0.000 0.241 268 D C -0.552 175.761 176.300 0.020 0.000 1.183 268 D CA 0.194 54.267 54.000 0.122 0.000 0.859 268 D CB 1.074 41.926 40.800 0.086 0.000 1.067 268 D HN 0.472 nan 8.370 nan 0.000 0.484 269 L N 2.403 123.652 121.223 0.043 0.000 3.938 269 L HA -0.174 4.159 4.340 -0.011 0.000 0.405 269 L C 1.290 178.175 176.870 0.025 0.000 1.202 269 L CA 1.365 56.219 54.840 0.024 0.000 0.920 269 L CB -1.335 40.722 42.059 -0.004 0.000 2.054 269 L HN 0.815 nan 8.230 nan 0.000 0.815 270 G N -2.315 106.520 108.800 0.058 0.000 2.527 270 G HA2 -0.337 3.616 3.960 -0.011 0.000 0.218 270 G HA3 -0.337 3.616 3.960 -0.011 0.000 0.218 270 G C 0.779 175.738 174.900 0.099 0.000 1.177 270 G CA 0.323 45.465 45.100 0.069 0.000 0.695 270 G HN 0.355 nan 8.290 nan 0.000 0.517 271 E N 1.182 121.408 120.200 0.043 0.000 2.276 271 E HA -0.345 3.998 4.350 -0.011 0.000 0.226 271 E C 2.648 179.386 176.600 0.231 0.000 1.090 271 E CA 2.732 59.157 56.400 0.042 0.000 0.930 271 E CB -1.273 28.294 29.700 -0.222 0.000 0.791 271 E HN 1.368 nan 8.360 nan 0.000 0.467 272 A N 0.603 123.648 122.820 0.376 0.000 2.037 272 A HA -0.017 4.296 4.320 -0.011 0.000 0.200 272 A C 2.417 180.158 177.584 0.262 0.000 1.230 272 A CA 2.200 54.462 52.037 0.375 0.000 0.695 272 A CB -1.299 17.851 19.000 0.250 0.000 0.883 272 A HN 0.370 nan 8.150 nan 0.000 0.502 273 G N -1.716 107.176 108.800 0.152 0.000 2.813 273 G HA2 0.026 3.979 3.960 -0.011 0.000 0.209 273 G HA3 0.026 3.979 3.960 -0.011 0.000 0.209 273 G C 1.455 176.389 174.900 0.057 0.000 1.150 273 G CA 0.799 45.945 45.100 0.077 0.000 0.785 273 G HN 0.576 nan 8.290 nan 0.000 0.535 274 R N -0.607 119.951 120.500 0.097 0.000 2.097 274 R HA -0.217 4.117 4.340 -0.011 0.000 0.236 274 R C 2.143 178.509 176.300 0.110 0.000 1.135 274 R CA 1.697 57.844 56.100 0.079 0.000 0.934 274 R CB -0.593 29.761 30.300 0.090 0.000 0.846 274 R HN 0.319 nan 8.270 nan 0.000 0.431 275 Y N 1.777 122.092 120.300 0.026 0.000 2.151 275 Y HA -0.281 4.262 4.550 -0.011 0.000 0.284 275 Y C 1.552 177.450 175.900 -0.004 0.000 1.166 275 Y CA 1.836 59.947 58.100 0.019 0.000 1.163 275 Y CB -0.207 38.284 38.460 0.051 0.000 0.974 275 Y HN 0.091 nan 8.280 nan 0.000 0.511 276 K N -0.113 120.271 120.400 -0.027 0.000 1.987 276 K HA -0.143 4.170 4.320 -0.011 0.000 0.222 276 K C 2.319 178.807 176.600 -0.186 0.000 1.029 276 K CA 0.945 57.146 56.287 -0.144 0.000 1.011 276 K CB -0.982 31.481 32.500 -0.060 0.000 0.769 276 K HN 0.260 nan 8.250 nan 0.000 0.444 277 A N 1.894 124.618 122.820 -0.160 0.000 1.879 277 A HA -0.390 3.923 4.320 -0.011 0.000 0.222 277 A C 2.230 179.696 177.584 -0.196 0.000 1.368 277 A CA 2.731 54.657 52.037 -0.186 0.000 0.707 277 A CB -1.298 17.615 19.000 -0.146 0.000 0.846 277 A HN 0.664 nan 8.150 nan 0.000 0.468 278 E N -0.558 119.569 120.200 -0.122 0.000 2.068 278 E HA -0.334 4.010 4.350 -0.011 0.000 0.207 278 E C 1.993 178.507 176.600 -0.144 0.000 1.032 278 E CA 1.976 58.315 56.400 -0.102 0.000 0.839 278 E CB -0.314 29.374 29.700 -0.020 0.000 0.758 278 E HN 0.725 nan 8.360 nan 0.000 0.457 279 E N -0.090 120.007 120.200 -0.172 0.000 2.401 279 E HA -0.144 4.200 4.350 -0.011 0.000 0.199 279 E C 0.835 177.294 176.600 -0.235 0.000 1.023 279 E CA 1.104 57.373 56.400 -0.217 0.000 0.859 279 E CB 0.161 29.613 29.700 -0.413 0.000 0.780 279 E HN 0.217 nan 8.360 nan 0.000 0.523 280 K N -0.447 119.788 120.400 -0.276 0.000 2.438 280 K HA 0.252 4.565 4.320 -0.011 0.000 0.205 280 K C 0.057 176.243 176.600 -0.690 0.000 1.033 280 K CA -0.055 56.037 56.287 -0.325 0.000 1.089 280 K CB 0.941 33.303 32.500 -0.231 0.000 0.857 280 K HN 0.055 nan 8.250 nan 0.000 0.522 281 L N -0.631 120.292 121.223 -0.500 0.000 3.524 281 L HA 0.263 4.596 4.340 -0.011 0.000 0.337 281 L C 0.667 177.384 176.870 -0.255 0.000 1.330 281 L CA -0.335 54.181 54.840 -0.539 0.000 0.966 281 L CB 1.080 42.883 42.059 -0.426 0.000 1.395 281 L HN 0.371 nan 8.230 nan 0.000 0.616 282 G N 0.866 109.557 108.800 -0.181 0.000 4.257 282 G HA2 -0.207 3.747 3.960 -0.011 0.000 0.270 282 G HA3 -0.207 3.747 3.960 -0.011 0.000 0.270 282 G C 0.020 174.880 174.900 -0.066 0.000 1.717 282 G CA 0.129 45.173 45.100 -0.093 0.000 1.170 282 G HN -0.022 nan 8.290 nan 0.000 0.642 283 I N 0.806 121.344 120.570 -0.053 0.000 3.660 283 I HA 0.537 4.700 4.170 -0.011 0.000 0.287 283 I C 1.404 177.510 176.117 -0.020 0.000 1.142 283 I CA -0.854 60.430 61.300 -0.026 0.000 1.121 283 I CB 0.278 38.271 38.000 -0.012 0.000 1.373 283 I HN 0.539 nan 8.210 nan 0.000 0.473 284 R N 0.687 121.187 120.500 0.000 0.000 3.271 284 R HA 0.390 4.723 4.340 -0.011 0.000 0.245 284 R C -0.104 176.203 176.300 0.012 0.000 1.112 284 R CA -0.177 55.930 56.100 0.011 0.000 1.102 284 R CB 0.064 30.377 30.300 0.020 0.000 0.928 284 R HN 0.562 nan 8.270 nan 0.000 0.497 285 L N -3.130 118.108 121.223 0.025 0.000 2.161 285 L HA 0.508 4.842 4.340 -0.011 0.000 0.248 285 L C -0.671 176.229 176.870 0.050 0.000 1.088 285 L CA -0.898 53.965 54.840 0.038 0.000 0.987 285 L CB 1.989 44.073 42.059 0.042 0.000 1.563 285 L HN 0.257 nan 8.230 nan 0.000 0.472 286 S N 0.915 116.657 115.700 0.069 0.000 2.681 286 S HA 0.521 4.985 4.470 -0.011 0.000 0.313 286 S C 0.580 175.228 174.600 0.081 0.000 1.137 286 S CA 0.287 58.535 58.200 0.081 0.000 1.045 286 S CB -0.375 62.890 63.200 0.108 0.000 1.208 286 S HN 1.218 nan 8.310 nan 0.000 0.523 287 G N 4.498 113.336 108.800 0.063 0.000 2.889 287 G HA2 -0.396 3.558 3.960 -0.011 0.000 0.308 287 G HA3 -0.396 3.558 3.960 -0.011 0.000 0.308 287 G C 0.903 175.836 174.900 0.054 0.000 1.248 287 G CA 0.648 45.782 45.100 0.057 0.000 0.982 287 G HN 0.661 nan 8.290 nan 0.000 0.571 288 R N -1.590 118.950 120.500 0.066 0.000 2.119 288 R HA 0.459 4.792 4.340 -0.011 0.000 0.202 288 R C 2.173 178.515 176.300 0.070 0.000 1.114 288 R CA 1.744 57.882 56.100 0.062 0.000 1.089 288 R CB -0.109 30.230 30.300 0.064 0.000 1.000 288 R HN 0.536 nan 8.270 nan 0.000 0.487 289 T N -0.317 114.288 114.554 0.086 0.000 3.388 289 T HA 0.347 4.690 4.350 -0.011 0.000 0.254 289 T C 1.273 176.038 174.700 0.109 0.000 1.002 289 T CA 0.286 62.437 62.100 0.086 0.000 1.164 289 T CB 0.432 69.351 68.868 0.085 0.000 1.184 289 T HN 0.138 nan 8.240 nan 0.000 0.399 290 L N -0.063 121.246 121.223 0.143 0.000 3.406 290 L HA 0.582 4.916 4.340 -0.011 0.000 0.309 290 L C 0.921 177.914 176.870 0.206 0.000 1.159 290 L CA -0.481 54.467 54.840 0.180 0.000 1.122 290 L CB -0.098 42.086 42.059 0.208 0.000 1.633 290 L HN 0.180 nan 8.230 nan 0.000 0.607 291 A N 1.724 124.668 122.820 0.206 0.000 2.639 291 A HA 0.181 4.495 4.320 -0.011 0.000 0.229 291 A C 0.304 178.016 177.584 0.212 0.000 1.062 291 A CA 0.900 53.081 52.037 0.239 0.000 0.761 291 A CB -0.031 19.095 19.000 0.210 0.000 0.988 291 A HN 0.397 nan 8.150 nan 0.000 0.510 292 R N 1.398 122.025 120.500 0.212 0.000 2.585 292 R HA 0.484 4.817 4.340 -0.011 0.000 0.288 292 R C -0.967 175.366 176.300 0.055 0.000 1.194 292 R CA -0.413 55.738 56.100 0.086 0.000 1.006 292 R CB 0.157 30.432 30.300 -0.042 0.000 1.229 292 R HN 0.660 nan 8.270 nan 0.000 0.412 293 F N 2.491 122.428 119.950 -0.021 0.000 2.446 293 F HA 0.364 4.885 4.527 -0.011 0.000 0.234 293 F C 0.697 176.470 175.800 -0.045 0.000 1.067 293 F CA 0.533 58.524 58.000 -0.016 0.000 0.986 293 F CB 0.430 39.432 39.000 0.002 0.000 1.145 293 F HN 0.630 nan 8.300 nan 0.000 0.661 294 E N 0.675 121.200 120.200 0.541 0.000 2.431 294 E HA -0.138 4.206 4.350 -0.011 0.000 0.208 294 E C -0.169 176.475 176.600 0.073 0.000 1.299 294 E CA 0.740 57.325 56.400 0.310 0.000 1.080 294 E CB -0.401 29.475 29.700 0.293 0.000 1.114 294 E HN 0.413 nan 8.360 nan 0.000 0.489 295 D N -1.982 118.399 120.400 -0.031 0.000 2.267 295 D HA 0.091 4.724 4.640 -0.011 0.000 0.297 295 D C 1.210 177.425 176.300 -0.143 0.000 1.087 295 D CA 0.912 54.870 54.000 -0.070 0.000 0.864 295 D CB 0.600 41.361 40.800 -0.064 0.000 1.557 295 D HN 0.147 nan 8.370 nan 0.000 0.523 296 G N 0.494 109.148 108.800 -0.242 0.000 4.165 296 G HA2 -0.296 3.657 3.960 -0.011 0.000 0.211 296 G HA3 -0.296 3.657 3.960 -0.011 0.000 0.211 296 G C 0.431 174.990 174.900 -0.569 0.000 1.469 296 G CA 0.271 45.199 45.100 -0.287 0.000 0.964 296 G HN 0.403 nan 8.290 nan 0.000 0.613 297 E N 0.248 120.208 120.200 -0.399 0.000 2.718 297 E HA 0.561 4.904 4.350 -0.011 0.000 0.263 297 E C -0.380 175.777 176.600 -0.739 0.000 1.434 297 E CA 0.479 56.664 56.400 -0.358 0.000 1.106 297 E CB 0.067 29.682 29.700 -0.142 0.000 1.029 297 E HN 0.324 nan 8.360 nan 0.000 0.631 298 F N -0.268 119.612 119.950 -0.118 0.000 2.579 298 F HA 0.305 4.826 4.527 -0.011 0.000 0.325 298 F C -0.031 175.741 175.800 -0.045 0.000 1.162 298 F CA -0.863 57.091 58.000 -0.077 0.000 0.946 298 F CB 1.300 40.231 39.000 -0.116 0.000 1.211 298 F HN 0.045 nan 8.300 nan 0.000 0.447 299 K N 3.013 123.499 120.400 0.144 0.000 2.258 299 K HA 0.171 4.485 4.320 -0.011 0.000 0.284 299 K C -0.961 175.764 176.600 0.208 0.000 1.051 299 K CA -0.307 56.093 56.287 0.188 0.000 0.923 299 K CB 0.798 33.399 32.500 0.168 0.000 1.046 299 K HN 0.698 nan 8.250 nan 0.000 0.474 300 D N 4.855 125.401 120.400 0.242 0.000 2.464 300 D HA 0.077 4.710 4.640 -0.011 0.000 0.243 300 D C -0.587 175.838 176.300 0.208 0.000 1.104 300 D CA -0.180 53.950 54.000 0.217 0.000 0.883 300 D CB 0.958 41.848 40.800 0.150 0.000 1.050 300 D HN 0.627 nan 8.370 nan 0.000 0.524 301 E N 2.039 122.335 120.200 0.161 0.000 2.320 301 E HA 0.064 4.408 4.350 -0.011 0.000 0.189 301 E C 1.081 177.748 176.600 0.111 0.000 1.100 301 E CA -0.180 56.282 56.400 0.104 0.000 1.009 301 E CB 1.021 30.764 29.700 0.072 0.000 1.145 301 E HN 0.338 nan 8.360 nan 0.000 0.454 302 V N -0.442 119.592 119.914 0.200 0.000 2.943 302 V HA -0.082 4.032 4.120 -0.011 0.000 0.211 302 V C 1.449 177.662 176.094 0.199 0.000 1.187 302 V CA 0.481 62.900 62.300 0.199 0.000 1.278 302 V CB -0.655 31.375 31.823 0.345 0.000 1.008 302 V HN 0.192 nan 8.190 nan 0.000 0.509 303 F N 0.400 120.358 119.950 0.013 0.000 2.184 303 F HA -0.215 4.305 4.527 -0.011 0.000 0.301 303 F C 2.096 177.887 175.800 -0.015 0.000 1.076 303 F CA 1.257 59.258 58.000 0.002 0.000 1.295 303 F CB -1.304 37.709 39.000 0.022 0.000 1.026 303 F HN 0.081 nan 8.300 nan 0.000 0.494 304 L N 0.815 122.172 121.223 0.224 0.000 1.952 304 L HA -0.218 4.115 4.340 -0.011 0.000 0.231 304 L C -0.411 176.476 176.870 0.028 0.000 1.088 304 L CA 2.578 57.467 54.840 0.081 0.000 0.802 304 L CB -1.911 40.180 42.059 0.053 0.000 0.903 304 L HN -0.039 nan 8.230 nan 0.000 0.439 305 P HA -0.106 nan 4.420 nan 0.000 0.216 305 P C 1.510 178.823 177.300 0.021 0.000 1.153 305 P CA 2.066 65.158 63.100 -0.014 0.000 0.848 305 P CB -0.221 31.438 31.700 -0.068 0.000 0.787 306 T N 0.722 115.289 114.554 0.021 0.000 2.469 306 T HA -0.245 4.098 4.350 -0.011 0.000 0.254 306 T C 1.645 176.440 174.700 0.158 0.000 1.214 306 T CA 1.481 63.630 62.100 0.082 0.000 1.202 306 T CB -1.324 67.505 68.868 -0.065 0.000 0.864 306 T HN -0.040 nan 8.240 nan 0.000 0.408 307 L N 2.358 123.598 121.223 0.028 0.000 1.987 307 L HA -0.274 4.060 4.340 -0.011 0.000 0.230 307 L C 2.732 179.382 176.870 -0.367 0.000 1.089 307 L CA 2.469 57.233 54.840 -0.126 0.000 0.802 307 L CB -0.815 41.104 42.059 -0.233 0.000 0.905 307 L HN 0.434 nan 8.230 nan 0.000 0.441 308 R N -2.133 118.107 120.500 -0.434 0.000 2.204 308 R HA -0.294 4.039 4.340 -0.011 0.000 0.253 308 R C 2.209 178.624 176.300 0.191 0.000 1.172 308 R CA 2.259 58.198 56.100 -0.269 0.000 0.994 308 R CB -1.386 28.909 30.300 -0.007 0.000 0.874 308 R HN 0.513 nan 8.270 nan 0.000 0.462 309 Y N 1.208 121.540 120.300 0.053 0.000 2.243 309 Y HA -0.046 4.497 4.550 -0.011 0.000 0.293 309 Y C 2.110 178.089 175.900 0.131 0.000 1.124 309 Y CA 0.809 58.939 58.100 0.051 0.000 1.159 309 Y CB -0.224 38.252 38.460 0.027 0.000 1.008 309 Y HN 0.093 nan 8.280 nan 0.000 0.527 310 L N -0.433 121.091 121.223 0.501 0.000 2.187 310 L HA -0.202 4.132 4.340 -0.011 0.000 0.213 310 L C 1.873 179.052 176.870 0.516 0.000 1.100 310 L CA 1.724 56.909 54.840 0.575 0.000 0.765 310 L CB -1.052 41.392 42.059 0.643 0.000 0.904 310 L HN 0.260 nan 8.230 nan 0.000 0.437 311 F N -0.478 119.587 119.950 0.192 0.000 2.074 311 F HA -0.121 4.399 4.527 -0.011 0.000 0.293 311 F C 2.500 178.376 175.800 0.128 0.000 1.116 311 F CA 0.476 58.600 58.000 0.207 0.000 1.212 311 F CB -0.694 38.506 39.000 0.334 0.000 0.998 311 F HN 0.153 nan 8.300 nan 0.000 0.471 312 A N -0.223 122.753 122.820 0.260 0.000 2.194 312 A HA -0.191 4.123 4.320 -0.011 0.000 0.220 312 A C 1.835 179.285 177.584 -0.224 0.000 1.162 312 A CA 1.484 53.446 52.037 -0.125 0.000 0.674 312 A CB -0.645 18.209 19.000 -0.244 0.000 0.789 312 A HN 0.418 nan 8.150 nan 0.000 0.470 313 L N -0.939 120.182 121.223 -0.171 0.000 2.349 313 L HA 0.096 4.430 4.340 -0.011 0.000 0.200 313 L C 2.069 179.010 176.870 0.117 0.000 1.064 313 L CA 2.149 56.888 54.840 -0.169 0.000 0.821 313 L CB -0.551 41.311 42.059 -0.329 0.000 1.027 313 L HN 0.331 nan 8.230 nan 0.000 0.476 314 T N -1.423 113.246 114.554 0.192 0.000 3.584 314 T HA 0.493 4.836 4.350 -0.011 0.000 0.252 314 T C 0.585 175.316 174.700 0.052 0.000 1.103 314 T CA 0.348 62.527 62.100 0.130 0.000 0.977 314 T CB -0.735 68.153 68.868 0.034 0.000 1.044 314 T HN 0.373 nan 8.240 nan 0.000 0.589 315 A N 0.680 123.537 122.820 0.062 0.000 3.936 315 A HA 0.955 5.268 4.320 -0.011 0.000 0.160 315 A C 1.534 179.132 177.584 0.023 0.000 1.286 315 A CA -0.141 51.916 52.037 0.033 0.000 1.236 315 A CB -0.217 18.797 19.000 0.024 0.000 1.604 315 A HN 0.348 nan 8.150 nan 0.000 0.674 316 G N -1.596 107.207 108.800 0.004 0.000 2.680 316 G HA2 0.369 4.323 3.960 -0.011 0.000 0.224 316 G HA3 0.369 4.323 3.960 -0.011 0.000 0.224 316 G C 0.082 174.983 174.900 0.003 0.000 1.454 316 G CA 1.179 46.280 45.100 0.002 0.000 0.900 316 G HN 0.985 nan 8.290 nan 0.000 0.570 317 V N 1.302 121.216 119.914 -0.001 0.000 2.841 317 V HA 0.258 4.372 4.120 -0.011 0.000 0.363 317 V C -2.412 173.719 176.094 0.061 0.000 1.330 317 V CA -0.540 61.788 62.300 0.048 0.000 1.207 317 V CB 1.068 32.895 31.823 0.008 0.000 1.318 317 V HN 0.199 nan 8.190 nan 0.000 0.603 318 P HA 0.397 nan 4.420 nan 0.000 0.218 318 P C 1.162 178.322 177.300 -0.233 0.000 1.793 318 P CA 0.994 64.010 63.100 -0.140 0.000 0.941 318 P CB 0.073 31.642 31.700 -0.219 0.000 1.919 319 G N 1.152 109.798 108.800 -0.256 0.000 2.259 319 G HA2 -0.235 3.718 3.960 -0.011 0.000 0.217 319 G HA3 -0.235 3.718 3.960 -0.011 0.000 0.217 319 G C 0.383 174.647 174.900 -1.061 0.000 1.001 319 G CA -0.182 44.557 45.100 -0.602 0.000 0.627 319 G HN 0.646 nan 8.290 nan 0.000 0.501 320 H N 0.978 119.912 119.070 -0.227 0.000 2.445 320 H HA -0.166 4.383 4.556 -0.011 0.000 0.322 320 H C 0.425 175.612 175.328 -0.235 0.000 1.053 320 H CA 1.351 57.271 56.048 -0.213 0.000 1.109 320 H CB -2.303 27.375 29.762 -0.140 0.000 1.546 320 H HN 0.762 nan 8.280 nan 0.000 0.397 321 E N 0.889 120.848 120.200 -0.402 0.000 2.467 321 E HA 0.297 4.640 4.350 -0.011 0.000 0.321 321 E C 0.697 177.153 176.600 -0.239 0.000 1.388 321 E CA -0.266 55.934 56.400 -0.333 0.000 1.508 321 E CB -0.093 29.353 29.700 -0.423 0.000 1.250 321 E HN 0.358 nan 8.360 nan 0.000 0.500 322 V N 0.801 120.617 119.914 -0.164 0.000 3.766 322 V HA 0.043 4.156 4.120 -0.011 0.000 0.286 322 V C 0.537 176.624 176.094 -0.011 0.000 1.055 322 V CA -0.031 62.195 62.300 -0.124 0.000 1.060 322 V CB 0.369 32.125 31.823 -0.112 0.000 1.210 322 V HN 0.418 nan 8.190 nan 0.000 0.457 323 D N 0.563 120.979 120.400 0.027 0.000 2.386 323 D HA 0.159 4.793 4.640 -0.011 0.000 0.247 323 D C -1.138 175.183 176.300 0.035 0.000 1.336 323 D CA -0.292 53.746 54.000 0.064 0.000 0.976 323 D CB 1.281 42.187 40.800 0.175 0.000 1.257 323 D HN 0.631 nan 8.370 nan 0.000 0.570 324 D N 3.166 123.588 120.400 0.037 0.000 2.352 324 D HA 0.052 4.686 4.640 -0.011 0.000 0.245 324 D C 1.321 177.677 176.300 0.093 0.000 1.224 324 D CA -0.412 53.646 54.000 0.096 0.000 0.879 324 D CB 0.936 41.849 40.800 0.189 0.000 1.057 324 D HN 0.136 nan 8.370 nan 0.000 0.491 325 I N 3.542 124.142 120.570 0.051 0.000 2.099 325 I HA -0.281 3.883 4.170 -0.011 0.000 0.239 325 I C 2.021 178.170 176.117 0.054 0.000 1.066 325 I CA 1.134 62.431 61.300 -0.004 0.000 1.324 325 I CB -0.463 37.540 38.000 0.005 0.000 1.037 325 I HN 0.424 nan 8.210 nan 0.000 0.401 326 D N -0.300 120.185 120.400 0.141 0.000 2.315 326 D HA -0.218 4.415 4.640 -0.011 0.000 0.211 326 D C 1.112 177.367 176.300 -0.076 0.000 0.977 326 D CA 0.749 54.849 54.000 0.167 0.000 0.894 326 D CB -0.614 40.386 40.800 0.333 0.000 0.910 326 D HN 0.445 nan 8.370 nan 0.000 0.490 327 H N 1.610 120.601 119.070 -0.132 0.000 3.145 327 H HA -0.042 4.507 4.556 -0.011 0.000 0.288 327 H C 1.508 176.658 175.328 -0.297 0.000 0.969 327 H CA 0.088 55.903 56.048 -0.389 0.000 1.444 327 H CB 0.438 30.209 29.762 0.015 0.000 1.500 327 H HN 0.080 nan 8.280 nan 0.000 0.552 328 L N 4.179 125.075 121.223 -0.544 0.000 2.189 328 L HA -0.170 4.164 4.340 -0.011 0.000 0.214 328 L C 2.509 179.361 176.870 -0.030 0.000 1.097 328 L CA 1.323 56.032 54.840 -0.219 0.000 0.764 328 L CB -0.501 41.423 42.059 -0.226 0.000 0.900 328 L HN 0.686 nan 8.230 nan 0.000 0.436 329 G N -0.750 108.121 108.800 0.119 0.000 2.708 329 G HA2 -0.169 3.784 3.960 -0.011 0.000 0.210 329 G HA3 -0.169 3.784 3.960 -0.011 0.000 0.210 329 G C 1.054 176.011 174.900 0.095 0.000 1.141 329 G CA 0.279 45.482 45.100 0.172 0.000 0.788 329 G HN 0.363 nan 8.290 nan 0.000 0.531 330 N N -0.001 118.816 118.700 0.195 0.000 2.241 330 N HA 0.142 4.875 4.740 -0.011 0.000 0.238 330 N C -0.249 175.321 175.510 0.100 0.000 1.244 330 N CA -0.059 53.057 53.050 0.111 0.000 0.880 330 N CB 1.046 39.511 38.487 -0.038 0.000 1.179 330 N HN 0.276 nan 8.380 nan 0.000 0.513 331 R N 0.611 121.219 120.500 0.180 0.000 2.538 331 R HA 0.378 4.712 4.340 -0.011 0.000 0.292 331 R C -0.414 175.924 176.300 0.063 0.000 1.008 331 R CA -0.615 55.520 56.100 0.059 0.000 0.896 331 R CB 2.614 32.904 30.300 -0.017 0.000 1.187 331 R HN -0.044 nan 8.270 nan 0.000 0.440 332 R N 2.072 122.352 120.500 -0.366 0.000 2.596 332 R HA 0.455 4.788 4.340 -0.011 0.000 0.267 332 R C -0.715 175.192 176.300 -0.654 0.000 1.026 332 R CA -0.744 54.952 56.100 -0.673 0.000 1.087 332 R CB 1.063 30.835 30.300 -0.880 0.000 1.132 332 R HN 0.506 nan 8.270 nan 0.000 0.531 333 I N 2.313 122.664 120.570 -0.365 0.000 2.389 333 I HA 0.315 4.479 4.170 -0.011 0.000 0.288 333 I C -0.748 175.330 176.117 -0.064 0.000 0.999 333 I CA -0.640 60.564 61.300 -0.161 0.000 1.129 333 I CB 1.255 39.204 38.000 -0.086 0.000 1.288 333 I HN 0.533 nan 8.210 nan 0.000 0.444 334 R N 5.204 125.730 120.500 0.045 0.000 2.340 334 R HA 0.525 4.858 4.340 -0.011 0.000 0.300 334 R C -0.278 176.034 176.300 0.021 0.000 1.069 334 R CA -0.407 55.721 56.100 0.047 0.000 0.984 334 R CB 0.543 30.880 30.300 0.062 0.000 1.003 334 R HN 0.735 nan 8.270 nan 0.000 0.459 335 T N -2.014 112.554 114.554 0.023 0.000 2.940 335 T HA 0.200 4.543 4.350 -0.011 0.000 0.288 335 T C 1.609 176.347 174.700 0.063 0.000 1.033 335 T CA -1.019 61.105 62.100 0.041 0.000 1.033 335 T CB 1.632 70.532 68.868 0.053 0.000 1.079 335 T HN 0.203 nan 8.240 nan 0.000 0.496 336 V N 2.119 122.074 119.914 0.069 0.000 2.255 336 V HA -0.306 3.807 4.120 -0.011 0.000 0.258 336 V C 2.852 179.066 176.094 0.199 0.000 1.069 336 V CA 2.682 65.036 62.300 0.091 0.000 1.082 336 V CB -1.998 29.876 31.823 0.085 0.000 0.707 336 V HN 1.164 nan 8.190 nan 0.000 0.466 337 G N -1.005 107.958 108.800 0.273 0.000 2.721 337 G HA2 -0.388 3.566 3.960 -0.011 0.000 0.218 337 G HA3 -0.388 3.566 3.960 -0.011 0.000 0.218 337 G C 1.423 176.409 174.900 0.143 0.000 1.265 337 G CA 1.416 46.662 45.100 0.243 0.000 0.796 337 G HN 0.641 nan 8.290 nan 0.000 0.620 338 E N -0.031 120.225 120.200 0.093 0.000 2.026 338 E HA -0.177 4.167 4.350 -0.011 0.000 0.206 338 E C 2.697 179.302 176.600 0.009 0.000 1.028 338 E CA 1.377 57.801 56.400 0.040 0.000 0.845 338 E CB -0.366 29.340 29.700 0.010 0.000 0.772 338 E HN 0.393 nan 8.360 nan 0.000 0.462 339 L N 0.388 121.611 121.223 -0.000 0.000 2.113 339 L HA -0.314 4.019 4.340 -0.011 0.000 0.221 339 L C 2.813 179.614 176.870 -0.116 0.000 1.084 339 L CA 1.723 56.533 54.840 -0.050 0.000 0.787 339 L CB -0.581 41.475 42.059 -0.004 0.000 0.893 339 L HN 0.491 nan 8.230 nan 0.000 0.440 340 M N -0.818 118.791 119.600 0.014 0.000 2.160 340 M HA -0.124 4.349 4.480 -0.011 0.000 0.264 340 M C 2.280 178.604 176.300 0.039 0.000 1.073 340 M CA 2.153 57.487 55.300 0.056 0.000 1.142 340 M CB -0.713 32.084 32.600 0.329 0.000 1.358 340 M HN 0.165 nan 8.290 nan 0.000 0.422 341 T N 2.303 116.916 114.554 0.099 0.000 2.620 341 T HA -0.242 4.101 4.350 -0.011 0.000 0.267 341 T C 1.149 175.884 174.700 0.057 0.000 1.044 341 T CA 2.510 64.701 62.100 0.153 0.000 1.161 341 T CB -1.103 67.826 68.868 0.102 0.000 0.862 341 T HN 0.696 nan 8.240 nan 0.000 0.438 342 D N 1.112 121.477 120.400 -0.057 0.000 2.116 342 D HA -0.202 4.432 4.640 -0.011 0.000 0.193 342 D C 2.103 178.322 176.300 -0.135 0.000 0.998 342 D CA 1.264 55.193 54.000 -0.119 0.000 0.836 342 D CB -0.573 40.136 40.800 -0.153 0.000 0.951 342 D HN 0.245 nan 8.370 nan 0.000 0.449 343 Q N -0.485 119.195 119.800 -0.200 0.000 2.170 343 Q HA -0.079 4.254 4.340 -0.011 0.000 0.203 343 Q C 1.746 177.746 176.000 0.000 0.000 0.976 343 Q CA 1.111 56.773 55.803 -0.235 0.000 0.858 343 Q CB -0.705 27.644 28.738 -0.647 0.000 0.907 343 Q HN 0.636 nan 8.270 nan 0.000 0.433 344 F N 0.095 119.971 119.950 -0.124 0.000 2.186 344 F HA -0.196 4.324 4.527 -0.011 0.000 0.299 344 F C 1.775 177.495 175.800 -0.134 0.000 1.090 344 F CA 0.851 58.796 58.000 -0.091 0.000 1.307 344 F CB 0.121 39.066 39.000 -0.093 0.000 1.019 344 F HN 0.074 nan 8.300 nan 0.000 0.489 345 R N 0.547 120.920 120.500 -0.213 0.000 2.066 345 R HA -0.143 4.190 4.340 -0.011 0.000 0.232 345 R C 2.249 178.427 176.300 -0.204 0.000 1.131 345 R CA 1.846 57.741 56.100 -0.342 0.000 0.955 345 R CB -1.178 28.961 30.300 -0.268 0.000 0.851 345 R HN 0.403 nan 8.270 nan 0.000 0.432 346 V N -0.341 119.497 119.914 -0.126 0.000 2.215 346 V HA -0.197 3.916 4.120 -0.011 0.000 0.249 346 V C 2.217 178.269 176.094 -0.070 0.000 1.054 346 V CA 2.250 64.495 62.300 -0.091 0.000 1.012 346 V CB -1.707 30.073 31.823 -0.073 0.000 0.639 346 V HN 0.403 nan 8.190 nan 0.000 0.448 347 G N -0.385 108.398 108.800 -0.029 0.000 2.498 347 G HA2 -0.170 3.783 3.960 -0.011 0.000 0.219 347 G HA3 -0.170 3.783 3.960 -0.011 0.000 0.219 347 G C 1.433 176.313 174.900 -0.033 0.000 1.119 347 G CA 1.094 46.190 45.100 -0.006 0.000 0.766 347 G HN 0.505 nan 8.290 nan 0.000 0.552 348 L N 1.186 122.357 121.223 -0.086 0.000 1.993 348 L HA 0.268 4.601 4.340 -0.011 0.000 0.206 348 L C 3.118 179.881 176.870 -0.178 0.000 1.074 348 L CA 2.052 56.784 54.840 -0.179 0.000 0.746 348 L CB -0.919 40.884 42.059 -0.427 0.000 0.896 348 L HN 0.196 nan 8.230 nan 0.000 0.435 349 A N -0.569 122.143 122.820 -0.179 0.000 1.978 349 A HA -0.245 4.068 4.320 -0.011 0.000 0.220 349 A C 2.320 179.843 177.584 -0.101 0.000 1.170 349 A CA 1.806 53.756 52.037 -0.144 0.000 0.636 349 A CB -0.658 18.268 19.000 -0.123 0.000 0.810 349 A HN 0.509 nan 8.150 nan 0.000 0.448 350 R N -1.332 119.120 120.500 -0.081 0.000 2.285 350 R HA -0.007 4.327 4.340 -0.011 0.000 0.213 350 R C 1.768 178.038 176.300 -0.051 0.000 1.068 350 R CA 0.961 57.029 56.100 -0.054 0.000 1.004 350 R CB -0.250 30.028 30.300 -0.036 0.000 0.873 350 R HN 0.530 nan 8.270 nan 0.000 0.467 351 L N -0.469 120.713 121.223 -0.068 0.000 2.253 351 L HA 0.241 4.574 4.340 -0.011 0.000 0.205 351 L C 2.073 178.899 176.870 -0.072 0.000 1.078 351 L CA 1.282 56.085 54.840 -0.061 0.000 0.805 351 L CB -0.409 41.612 42.059 -0.063 0.000 0.963 351 L HN 0.001 nan 8.230 nan 0.000 0.459 352 A N 0.290 123.047 122.820 -0.106 0.000 1.933 352 A HA -0.211 4.102 4.320 -0.011 0.000 0.218 352 A C 2.333 179.877 177.584 -0.065 0.000 1.175 352 A CA 1.757 53.729 52.037 -0.109 0.000 0.628 352 A CB -0.541 18.372 19.000 -0.145 0.000 0.814 352 A HN 0.527 nan 8.150 nan 0.000 0.444 353 R N -0.740 119.726 120.500 -0.057 0.000 2.083 353 R HA -0.132 4.202 4.340 -0.011 0.000 0.237 353 R C 2.417 178.701 176.300 -0.027 0.000 1.137 353 R CA 1.327 57.405 56.100 -0.036 0.000 0.951 353 R CB -0.889 29.391 30.300 -0.033 0.000 0.851 353 R HN 0.507 nan 8.270 nan 0.000 0.434 354 G N 0.786 109.569 108.800 -0.029 0.000 2.480 354 G HA2 -0.282 3.672 3.960 -0.011 0.000 0.216 354 G HA3 -0.282 3.672 3.960 -0.011 0.000 0.216 354 G C 1.460 176.351 174.900 -0.014 0.000 1.200 354 G CA 0.831 45.919 45.100 -0.019 0.000 0.782 354 G HN 0.247 nan 8.290 nan 0.000 0.554 355 V N 0.716 120.618 119.914 -0.020 0.000 2.469 355 V HA -0.143 3.970 4.120 -0.011 0.000 0.251 355 V C 2.919 179.014 176.094 0.001 0.000 1.064 355 V CA 2.336 64.631 62.300 -0.007 0.000 1.066 355 V CB -0.370 31.444 31.823 -0.015 0.000 0.667 355 V HN 0.412 nan 8.190 nan 0.000 0.461 356 R N -0.312 120.184 120.500 -0.008 0.000 2.148 356 R HA -0.063 4.271 4.340 -0.011 0.000 0.223 356 R C 1.938 178.241 176.300 0.005 0.000 1.088 356 R CA 1.392 57.492 56.100 0.000 0.000 0.985 356 R CB -0.183 30.113 30.300 -0.007 0.000 0.880 356 R HN 0.624 nan 8.270 nan 0.000 0.451 357 E N 0.231 120.431 120.200 0.001 0.000 2.516 357 E HA -0.077 4.266 4.350 -0.011 0.000 0.199 357 E C 1.383 177.988 176.600 0.008 0.000 1.069 357 E CA 0.377 56.779 56.400 0.003 0.000 0.876 357 E CB 0.211 29.911 29.700 0.000 0.000 0.843 357 E HN 0.287 nan 8.360 nan 0.000 0.530 358 R N -0.053 120.454 120.500 0.012 0.000 2.225 358 R HA 0.185 4.519 4.340 -0.011 0.000 0.194 358 R C 2.169 178.483 176.300 0.023 0.000 0.957 358 R CA 0.179 56.289 56.100 0.018 0.000 1.042 358 R CB -0.164 30.149 30.300 0.021 0.000 1.004 358 R HN 0.183 nan 8.270 nan 0.000 0.509 359 M N 1.529 121.144 119.600 0.025 0.000 2.358 359 M HA -0.104 4.369 4.480 -0.011 0.000 0.264 359 M C 1.570 177.884 176.300 0.023 0.000 1.064 359 M CA 1.426 56.743 55.300 0.030 0.000 1.093 359 M CB -0.037 32.581 32.600 0.030 0.000 1.401 359 M HN 0.098 nan 8.290 nan 0.000 0.440 360 L N 0.652 121.886 121.223 0.018 0.000 1.932 360 L HA -0.201 4.132 4.340 -0.011 0.000 0.217 360 L C 2.281 179.159 176.870 0.014 0.000 1.077 360 L CA 1.332 56.180 54.840 0.014 0.000 0.765 360 L CB -1.057 41.009 42.059 0.011 0.000 0.888 360 L HN 0.486 nan 8.230 nan 0.000 0.433 361 M N 0.584 120.192 119.600 0.013 0.000 2.723 361 M HA 0.322 4.796 4.480 -0.011 0.000 0.270 361 M C 0.357 176.666 176.300 0.014 0.000 1.282 361 M CA 0.004 55.311 55.300 0.012 0.000 0.995 361 M CB -1.277 31.329 32.600 0.010 0.000 1.430 361 M HN 0.030 nan 8.290 nan 0.000 0.477 362 G N 1.244 110.055 108.800 0.019 0.000 2.339 362 G HA2 0.408 4.361 3.960 -0.011 0.000 0.287 362 G HA3 0.408 4.361 3.960 -0.011 0.000 0.287 362 G C -0.372 174.540 174.900 0.019 0.000 1.163 362 G CA -0.302 44.812 45.100 0.023 0.000 0.872 362 G HN 0.462 nan 8.290 nan 0.000 0.464 363 S N 1.183 116.891 115.700 0.014 0.000 2.592 363 S HA -0.006 4.457 4.470 -0.011 0.000 0.256 363 S C 1.589 176.187 174.600 -0.004 0.000 1.369 363 S CA -0.172 58.030 58.200 0.003 0.000 0.984 363 S CB 0.807 64.006 63.200 -0.002 0.000 0.919 363 S HN 0.766 nan 8.310 nan 0.000 0.576 364 E N 0.989 121.175 120.200 -0.023 0.000 2.035 364 E HA -0.200 4.144 4.350 -0.011 0.000 0.204 364 E C 0.038 176.581 176.600 -0.094 0.000 1.025 364 E CA 1.479 57.851 56.400 -0.048 0.000 0.835 364 E CB 0.005 29.667 29.700 -0.062 0.000 0.764 364 E HN 0.530 nan 8.360 nan 0.000 0.457 365 D N -1.032 119.297 120.400 -0.119 0.000 2.692 365 D HA 0.050 4.683 4.640 -0.011 0.000 0.290 365 D C -0.422 175.849 176.300 -0.049 0.000 1.455 365 D CA 0.091 53.986 54.000 -0.176 0.000 0.796 365 D CB 0.944 41.520 40.800 -0.374 0.000 1.131 365 D HN -0.089 nan 8.370 nan 0.000 0.467 366 S N 1.073 116.765 115.700 -0.013 0.000 2.577 366 S HA 0.279 4.742 4.470 -0.011 0.000 0.239 366 S C 0.796 175.415 174.600 0.031 0.000 1.236 366 S CA -0.381 57.825 58.200 0.010 0.000 1.233 366 S CB -0.314 62.888 63.200 0.003 0.000 0.908 366 S HN 0.413 nan 8.310 nan 0.000 0.493 367 L N -0.654 120.603 121.223 0.057 0.000 3.316 367 L HA 0.240 4.573 4.340 -0.011 0.000 0.300 367 L C 1.525 178.453 176.870 0.096 0.000 1.128 367 L CA 0.384 55.267 54.840 0.072 0.000 1.111 367 L CB -0.687 41.417 42.059 0.076 0.000 1.687 367 L HN 0.267 nan 8.230 nan 0.000 0.594 368 T N 1.899 116.533 114.554 0.133 0.000 2.261 368 T HA -0.251 4.093 4.350 -0.011 0.000 0.203 368 T C -0.913 173.843 174.700 0.093 0.000 1.596 368 T CA 2.714 64.896 62.100 0.137 0.000 1.039 368 T CB -2.059 66.901 68.868 0.153 0.000 0.818 368 T HN 0.374 nan 8.240 nan 0.000 0.433 369 P HA 0.302 nan 4.420 nan 0.000 0.196 369 P C 0.682 178.030 177.300 0.081 0.000 1.065 369 P CA 1.103 64.249 63.100 0.078 0.000 0.803 369 P CB 0.022 31.765 31.700 0.071 0.000 0.673 370 A N -1.671 121.189 122.820 0.067 0.000 2.606 370 A HA 0.187 4.501 4.320 -0.011 0.000 0.290 370 A C 1.280 178.886 177.584 0.037 0.000 1.174 370 A CA -0.192 51.878 52.037 0.055 0.000 0.958 370 A CB -0.443 18.584 19.000 0.046 0.000 1.194 370 A HN 0.052 nan 8.150 nan 0.000 0.526 371 K N 0.041 120.466 120.400 0.042 0.000 2.432 371 K HA 0.140 4.454 4.320 -0.011 0.000 0.196 371 K C 0.414 177.032 176.600 0.030 0.000 1.038 371 K CA 0.648 56.954 56.287 0.032 0.000 0.986 371 K CB -0.064 32.457 32.500 0.035 0.000 0.782 371 K HN 0.519 nan 8.250 nan 0.000 0.485 372 L N 1.106 122.352 121.223 0.039 0.000 2.741 372 L HA 0.166 4.499 4.340 -0.011 0.000 0.237 372 L C -0.038 176.849 176.870 0.030 0.000 1.178 372 L CA -0.293 54.569 54.840 0.038 0.000 0.973 372 L CB 0.309 42.401 42.059 0.055 0.000 1.255 372 L HN -0.182 nan 8.230 nan 0.000 0.498 373 V N -0.234 119.693 119.914 0.021 0.000 3.019 373 V HA 0.549 4.663 4.120 -0.011 0.000 0.317 373 V C -0.771 175.316 176.094 -0.012 0.000 1.094 373 V CA -0.767 61.539 62.300 0.010 0.000 1.000 373 V CB 2.212 34.044 31.823 0.016 0.000 1.060 373 V HN 0.313 nan 8.190 nan 0.000 0.443 374 N N -0.108 118.578 118.700 -0.022 0.000 3.392 374 N HA 0.113 4.846 4.740 -0.011 0.000 0.223 374 N C 0.312 175.797 175.510 -0.041 0.000 1.137 374 N CA 0.384 53.413 53.050 -0.035 0.000 0.991 374 N CB 1.552 40.025 38.487 -0.024 0.000 1.602 374 N HN 0.588 nan 8.380 nan 0.000 0.702 375 S N 3.332 118.991 115.700 -0.067 0.000 2.362 375 S HA -0.054 4.409 4.470 -0.011 0.000 0.221 375 S C 1.629 176.202 174.600 -0.045 0.000 1.032 375 S CA 0.520 58.677 58.200 -0.072 0.000 0.973 375 S CB -0.259 62.857 63.200 -0.140 0.000 0.849 375 S HN 0.630 nan 8.310 nan 0.000 0.465 376 R N 2.196 122.671 120.500 -0.042 0.000 2.301 376 R HA -0.205 4.128 4.340 -0.011 0.000 0.250 376 R C -0.352 175.944 176.300 -0.006 0.000 1.102 376 R CA 2.479 58.568 56.100 -0.020 0.000 0.933 376 R CB -2.511 27.779 30.300 -0.015 0.000 0.955 376 R HN 0.501 nan 8.270 nan 0.000 0.439 377 P HA -0.196 nan 4.420 nan 0.000 0.213 377 P C 1.584 178.891 177.300 0.012 0.000 1.170 377 P CA 1.350 64.449 63.100 -0.000 0.000 0.898 377 P CB -0.175 31.519 31.700 -0.010 0.000 0.787 378 L N 0.216 121.446 121.223 0.012 0.000 2.056 378 L HA -0.109 4.225 4.340 -0.011 0.000 0.207 378 L C 2.582 179.480 176.870 0.047 0.000 1.078 378 L CA 1.957 56.823 54.840 0.042 0.000 0.749 378 L CB -1.751 40.343 42.059 0.058 0.000 0.901 378 L HN -0.156 nan 8.230 nan 0.000 0.433 379 E N 0.035 120.243 120.200 0.013 0.000 2.048 379 E HA -0.256 4.087 4.350 -0.011 0.000 0.202 379 E C 2.099 178.722 176.600 0.038 0.000 1.021 379 E CA 1.965 58.369 56.400 0.006 0.000 0.825 379 E CB -0.599 29.091 29.700 -0.016 0.000 0.756 379 E HN 0.565 nan 8.360 nan 0.000 0.454 380 A N 1.062 123.904 122.820 0.037 0.000 1.842 380 A HA -0.149 4.165 4.320 -0.011 0.000 0.217 380 A C 2.433 180.067 177.584 0.084 0.000 1.206 380 A CA 3.070 55.137 52.037 0.051 0.000 0.630 380 A CB -1.638 17.385 19.000 0.037 0.000 0.839 380 A HN 0.472 nan 8.150 nan 0.000 0.447 381 A N -0.120 122.748 122.820 0.080 0.000 1.997 381 A HA -0.340 3.974 4.320 -0.011 0.000 0.237 381 A C 2.092 179.794 177.584 0.196 0.000 1.807 381 A CA 2.487 54.587 52.037 0.105 0.000 0.863 381 A CB -1.366 17.684 19.000 0.083 0.000 0.821 381 A HN 0.633 nan 8.150 nan 0.000 0.500 382 I N -0.838 119.866 120.570 0.224 0.000 2.091 382 I HA -0.338 3.825 4.170 -0.011 0.000 0.239 382 I C 2.740 179.078 176.117 0.367 0.000 1.061 382 I CA 2.201 63.731 61.300 0.384 0.000 1.317 382 I CB -0.468 37.682 38.000 0.250 0.000 1.031 382 I HN 0.600 nan 8.210 nan 0.000 0.401 383 R N 1.199 121.789 120.500 0.150 0.000 2.148 383 R HA -0.259 4.075 4.340 -0.011 0.000 0.230 383 R C 2.230 178.613 176.300 0.137 0.000 1.120 383 R CA 2.286 58.426 56.100 0.068 0.000 0.902 383 R CB -0.412 29.911 30.300 0.038 0.000 0.839 383 R HN 0.242 nan 8.270 nan 0.000 0.431 384 E N 0.398 120.679 120.200 0.135 0.000 2.136 384 E HA -0.264 4.079 4.350 -0.011 0.000 0.208 384 E C 1.684 178.408 176.600 0.206 0.000 1.035 384 E CA 1.496 57.976 56.400 0.133 0.000 0.838 384 E CB -0.807 28.963 29.700 0.117 0.000 0.748 384 E HN 0.395 nan 8.360 nan 0.000 0.459 385 F N 1.464 121.481 119.950 0.113 0.000 2.024 385 F HA -0.285 4.236 4.527 -0.011 0.000 0.301 385 F C 2.008 177.871 175.800 0.106 0.000 1.256 385 F CA 1.206 59.268 58.000 0.103 0.000 1.205 385 F CB -1.313 37.777 39.000 0.150 0.000 0.943 385 F HN -0.077 nan 8.300 nan 0.000 0.529 386 F N 1.557 120.983 119.950 -0.874 0.000 2.117 386 F HA -0.388 4.133 4.527 -0.011 0.000 0.297 386 F C 3.115 178.646 175.800 -0.448 0.000 1.185 386 F CA 2.773 60.237 58.000 -0.894 0.000 1.242 386 F CB -1.829 36.828 39.000 -0.572 0.000 0.931 386 F HN 0.265 nan 8.300 nan 0.000 0.540 387 S N 0.138 115.831 115.700 -0.012 0.000 2.426 387 S HA -0.336 4.127 4.470 -0.011 0.000 0.253 387 S C 1.615 176.172 174.600 -0.071 0.000 1.104 387 S CA 2.145 60.310 58.200 -0.059 0.000 1.158 387 S CB -0.752 62.438 63.200 -0.017 0.000 1.043 387 S HN 0.367 nan 8.310 nan 0.000 0.443 388 R N 1.078 121.566 120.500 -0.020 0.000 2.586 388 R HA 0.466 4.800 4.340 -0.011 0.000 0.336 388 R C 0.055 176.367 176.300 0.020 0.000 1.060 388 R CA 0.076 56.179 56.100 0.004 0.000 1.079 388 R CB 0.399 30.721 30.300 0.037 0.000 1.317 388 R HN 0.427 nan 8.270 nan 0.000 0.568 389 S N 0.003 115.686 115.700 -0.028 0.000 2.545 389 S HA 0.020 4.483 4.470 -0.011 0.000 0.275 389 S C 1.216 175.815 174.600 -0.002 0.000 1.299 389 S CA -0.510 57.709 58.200 0.032 0.000 1.048 389 S CB 1.226 64.414 63.200 -0.021 0.000 0.938 389 S HN 0.483 nan 8.310 nan 0.000 0.496 390 Q N 3.049 122.871 119.800 0.037 0.000 2.152 390 Q HA -0.137 4.196 4.340 -0.011 0.000 0.206 390 Q C 0.855 176.858 176.000 0.005 0.000 0.985 390 Q CA 1.625 57.441 55.803 0.021 0.000 0.863 390 Q CB -0.134 28.621 28.738 0.027 0.000 0.904 390 Q HN 0.748 nan 8.270 nan 0.000 0.422 391 L N 0.491 121.718 121.223 0.006 0.000 2.591 391 L HA 0.144 4.478 4.340 -0.011 0.000 0.228 391 L C 0.709 177.531 176.870 -0.080 0.000 1.133 391 L CA 0.489 55.319 54.840 -0.017 0.000 0.880 391 L CB 0.373 42.435 42.059 0.005 0.000 1.033 391 L HN -0.004 nan 8.230 nan 0.000 0.450 392 S N 1.161 116.778 115.700 -0.139 0.000 2.422 392 S HA 0.559 5.022 4.470 -0.011 0.000 0.298 392 S C -0.391 174.114 174.600 -0.157 0.000 1.118 392 S CA -0.560 57.495 58.200 -0.241 0.000 1.083 392 S CB 0.142 63.118 63.200 -0.372 0.000 0.971 392 S HN 0.408 nan 8.310 nan 0.000 0.478 393 Q N 3.504 123.233 119.800 -0.118 0.000 2.377 393 Q HA 0.468 4.802 4.340 -0.011 0.000 0.279 393 Q C -1.214 174.748 176.000 -0.063 0.000 1.049 393 Q CA -0.995 54.783 55.803 -0.042 0.000 0.825 393 Q CB 0.556 29.366 28.738 0.119 0.000 1.401 393 Q HN 0.499 nan 8.270 nan 0.000 0.404 394 F N 1.720 121.667 119.950 -0.005 0.000 2.604 394 F HA -0.069 4.452 4.527 -0.011 0.000 0.390 394 F C 1.173 176.918 175.800 -0.091 0.000 1.053 394 F CA 0.485 58.465 58.000 -0.033 0.000 1.256 394 F CB 0.353 39.340 39.000 -0.021 0.000 0.996 394 F HN 0.469 nan 8.300 nan 0.000 0.564 395 K N 3.761 124.164 120.400 0.006 0.000 2.436 395 K HA -0.087 4.226 4.320 -0.011 0.000 0.282 395 K C -0.177 176.371 176.600 -0.088 0.000 1.044 395 K CA -0.293 55.895 56.287 -0.166 0.000 1.028 395 K CB 0.252 32.690 32.500 -0.103 0.000 0.919 395 K HN 0.587 nan 8.250 nan 0.000 0.474 396 D N 5.306 125.611 120.400 -0.158 0.000 2.453 396 D HA -0.020 4.614 4.640 -0.011 0.000 0.223 396 D C -0.424 175.872 176.300 -0.008 0.000 1.183 396 D CA -0.072 53.941 54.000 0.023 0.000 0.933 396 D CB 0.464 41.415 40.800 0.253 0.000 1.038 396 D HN 0.679 nan 8.370 nan 0.000 0.513 397 E N 1.576 121.767 120.200 -0.016 0.000 2.651 397 E HA 0.116 4.459 4.350 -0.011 0.000 0.213 397 E C 0.804 177.407 176.600 0.005 0.000 1.028 397 E CA -0.367 56.031 56.400 -0.003 0.000 1.183 397 E CB 0.142 29.841 29.700 -0.001 0.000 1.188 397 E HN 0.125 nan 8.360 nan 0.000 0.444 398 T N 1.163 115.708 114.554 -0.015 0.000 2.680 398 T HA -0.236 4.108 4.350 -0.011 0.000 0.268 398 T C 0.662 175.387 174.700 0.041 0.000 1.033 398 T CA 2.332 64.423 62.100 -0.015 0.000 1.152 398 T CB -0.394 68.454 68.868 -0.033 0.000 0.859 398 T HN 0.646 nan 8.240 nan 0.000 0.452 399 N N -1.203 117.520 118.700 0.037 0.000 3.633 399 N HA 0.296 5.029 4.740 -0.011 0.000 0.344 399 N C -2.878 172.653 175.510 0.035 0.000 1.627 399 N CA -1.168 51.908 53.050 0.044 0.000 0.754 399 N CB 0.383 38.902 38.487 0.054 0.000 2.450 399 N HN -0.220 nan 8.380 nan 0.000 0.592 400 P HA 0.141 nan 4.420 nan 0.000 0.212 400 P C 1.629 178.950 177.300 0.035 0.000 1.163 400 P CA 0.346 63.464 63.100 0.031 0.000 0.892 400 P CB 0.169 31.887 31.700 0.030 0.000 0.766 401 L N 0.813 122.061 121.223 0.041 0.000 2.010 401 L HA -0.289 4.044 4.340 -0.011 0.000 0.219 401 L C 2.161 179.061 176.870 0.051 0.000 1.077 401 L CA 2.879 57.745 54.840 0.043 0.000 0.773 401 L CB -1.796 40.292 42.059 0.049 0.000 0.892 401 L HN 0.025 nan 8.230 nan 0.000 0.436 402 S N -0.520 115.211 115.700 0.053 0.000 2.377 402 S HA -0.336 4.128 4.470 -0.011 0.000 0.224 402 S C 2.125 176.774 174.600 0.082 0.000 1.042 402 S CA 2.433 60.669 58.200 0.061 0.000 1.086 402 S CB -1.759 61.468 63.200 0.044 0.000 0.995 402 S HN 0.792 nan 8.310 nan 0.000 0.428 403 S N 2.732 118.463 115.700 0.051 0.000 2.365 403 S HA -0.135 4.328 4.470 -0.011 0.000 0.225 403 S C 1.913 176.543 174.600 0.050 0.000 1.039 403 S CA 1.372 59.589 58.200 0.028 0.000 1.033 403 S CB -1.025 62.174 63.200 -0.003 0.000 0.887 403 S HN 0.453 nan 8.310 nan 0.000 0.447 404 L N 2.098 123.348 121.223 0.046 0.000 2.005 404 L HA 0.104 4.438 4.340 -0.011 0.000 0.207 404 L C 2.746 179.657 176.870 0.068 0.000 1.072 404 L CA 1.973 56.840 54.840 0.045 0.000 0.744 404 L CB -1.126 40.950 42.059 0.028 0.000 0.895 404 L HN 0.306 nan 8.230 nan 0.000 0.433 405 R N -1.240 119.301 120.500 0.069 0.000 2.117 405 R HA -0.262 4.071 4.340 -0.011 0.000 0.243 405 R C 2.454 178.809 176.300 0.091 0.000 1.143 405 R CA 1.679 57.817 56.100 0.063 0.000 0.968 405 R CB -0.763 29.567 30.300 0.050 0.000 0.863 405 R HN 0.641 nan 8.270 nan 0.000 0.444 406 H N 1.332 120.407 119.070 0.007 0.000 2.387 406 H HA -0.109 4.441 4.556 -0.011 0.000 0.299 406 H C 1.437 176.767 175.328 0.004 0.000 1.099 406 H CA 2.030 58.082 56.048 0.006 0.000 1.315 406 H CB 0.168 29.934 29.762 0.007 0.000 1.380 406 H HN 0.235 nan 8.280 nan 0.000 0.513 407 K N 0.175 120.720 120.400 0.242 0.000 2.097 407 K HA -0.060 4.254 4.320 -0.011 0.000 0.205 407 K C 2.414 179.070 176.600 0.093 0.000 1.050 407 K CA 0.742 57.123 56.287 0.157 0.000 0.938 407 K CB 0.073 32.622 32.500 0.081 0.000 0.718 407 K HN 0.121 nan 8.250 nan 0.000 0.442 408 R N 1.260 121.799 120.500 0.065 0.000 2.316 408 R HA 0.030 4.363 4.340 -0.011 0.000 0.202 408 R C 0.231 176.539 176.300 0.013 0.000 1.029 408 R CA 0.205 56.325 56.100 0.033 0.000 1.018 408 R CB 0.176 30.491 30.300 0.025 0.000 0.888 408 R HN 0.123 nan 8.270 nan 0.000 0.471 409 R N 0.176 120.679 120.500 0.004 0.000 2.679 409 R HA 0.211 4.544 4.340 -0.011 0.000 0.269 409 R C -0.521 175.763 176.300 -0.026 0.000 1.076 409 R CA -0.138 55.944 56.100 -0.031 0.000 1.160 409 R CB 0.591 30.837 30.300 -0.090 0.000 1.054 409 R HN -0.093 nan 8.270 nan 0.000 0.507 410 I N 0.118 120.667 120.570 -0.035 0.000 2.447 410 I HA 0.170 4.333 4.170 -0.011 0.000 0.287 410 I C 0.064 176.162 176.117 -0.031 0.000 1.023 410 I CA -0.049 61.232 61.300 -0.032 0.000 1.083 410 I CB 1.867 39.841 38.000 -0.043 0.000 1.245 410 I HN 0.451 nan 8.210 nan 0.000 0.434 411 S N 3.542 119.229 115.700 -0.021 0.000 2.672 411 S HA 0.829 5.292 4.470 -0.011 0.000 0.276 411 S C 0.643 175.241 174.600 -0.003 0.000 1.207 411 S CA 0.179 58.370 58.200 -0.015 0.000 1.002 411 S CB 1.347 64.541 63.200 -0.010 0.000 0.998 411 S HN 0.753 nan 8.310 nan 0.000 0.542 412 A N 2.633 125.456 122.820 0.004 0.000 2.628 412 A HA 0.452 4.766 4.320 -0.011 0.000 0.267 412 A C -0.220 177.376 177.584 0.021 0.000 1.159 412 A CA -0.342 51.706 52.037 0.017 0.000 0.972 412 A CB -0.037 18.973 19.000 0.017 0.000 1.211 412 A HN 0.630 nan 8.150 nan 0.000 0.576 413 L N -1.097 120.134 121.223 0.013 0.000 2.334 413 L HA 0.821 5.154 4.340 -0.011 0.000 0.272 413 L C 1.050 177.928 176.870 0.013 0.000 1.020 413 L CA 0.007 54.854 54.840 0.013 0.000 0.812 413 L CB 1.559 43.622 42.059 0.007 0.000 1.264 413 L HN 0.422 nan 8.230 nan 0.000 0.439 414 G N 1.549 110.357 108.800 0.013 0.000 1.894 414 G HA2 -0.087 3.867 3.960 -0.011 0.000 0.076 414 G HA3 -0.087 3.867 3.960 -0.011 0.000 0.076 414 G C -2.840 172.061 174.900 0.001 0.000 0.954 414 G CA -0.796 44.309 45.100 0.010 0.000 1.214 414 G HN 0.419 nan 8.290 nan 0.000 0.409 415 P HA 0.251 nan 4.420 nan 0.000 0.257 415 P C 1.024 178.317 177.300 -0.011 0.000 1.162 415 P CA 1.147 64.234 63.100 -0.023 0.000 0.762 415 P CB 0.542 32.220 31.700 -0.037 0.000 0.753 416 G N 3.055 111.846 108.800 -0.015 0.000 2.740 416 G HA2 -0.034 3.920 3.960 -0.011 0.000 0.208 416 G HA3 -0.034 3.920 3.960 -0.011 0.000 0.208 416 G C 1.148 176.036 174.900 -0.019 0.000 1.148 416 G CA 0.614 45.705 45.100 -0.014 0.000 0.795 416 G HN 0.651 nan 8.290 nan 0.000 0.526 417 G N -0.567 108.227 108.800 -0.010 0.000 2.801 417 G HA2 0.215 4.168 3.960 -0.011 0.000 0.213 417 G HA3 0.215 4.168 3.960 -0.011 0.000 0.213 417 G C 1.161 176.089 174.900 0.048 0.000 1.052 417 G CA -0.131 44.971 45.100 0.003 0.000 0.868 417 G HN 0.335 nan 8.290 nan 0.000 0.589 418 L N 0.763 122.004 121.223 0.030 0.000 2.766 418 L HA 0.364 4.698 4.340 -0.011 0.000 0.242 418 L C 0.156 177.059 176.870 0.054 0.000 1.136 418 L CA 0.372 55.242 54.840 0.049 0.000 0.933 418 L CB 1.109 43.166 42.059 -0.005 0.000 1.241 418 L HN -0.060 nan 8.230 nan 0.000 0.522 419 T N 0.276 114.850 114.554 0.033 0.000 2.933 419 T HA 0.619 4.963 4.350 -0.011 0.000 0.305 419 T C -0.818 173.894 174.700 0.020 0.000 1.092 419 T CA -0.515 61.603 62.100 0.030 0.000 1.008 419 T CB 2.710 71.590 68.868 0.021 0.000 1.102 419 T HN 0.020 nan 8.240 nan 0.000 0.469 420 R N 0.915 121.429 120.500 0.023 0.000 2.584 420 R HA 0.295 4.628 4.340 -0.011 0.000 0.276 420 R C 0.181 176.494 176.300 0.020 0.000 1.046 420 R CA -0.688 55.422 56.100 0.017 0.000 0.906 420 R CB 1.645 31.955 30.300 0.016 0.000 1.215 420 R HN 0.633 nan 8.270 nan 0.000 0.449 421 E N 2.450 122.661 120.200 0.017 0.000 2.463 421 E HA 0.016 4.360 4.350 -0.011 0.000 0.191 421 E C -0.428 176.187 176.600 0.025 0.000 1.083 421 E CA 0.109 56.520 56.400 0.020 0.000 0.872 421 E CB 0.416 30.126 29.700 0.016 0.000 0.966 421 E HN 0.270 nan 8.360 nan 0.000 0.491 422 R N 0.917 121.433 120.500 0.027 0.000 2.357 422 R HA 0.153 4.487 4.340 -0.011 0.000 0.330 422 R C -0.086 176.242 176.300 0.047 0.000 1.102 422 R CA -0.061 56.059 56.100 0.034 0.000 0.974 422 R CB 0.563 30.880 30.300 0.029 0.000 1.002 422 R HN 0.069 nan 8.270 nan 0.000 0.463 423 A N 2.984 125.837 122.820 0.055 0.000 2.504 423 A HA -0.040 4.274 4.320 -0.011 0.000 0.280 423 A C 1.050 178.695 177.584 0.100 0.000 1.125 423 A CA 0.525 52.605 52.037 0.071 0.000 0.873 423 A CB -0.248 18.806 19.000 0.089 0.000 0.997 423 A HN 0.844 nan 8.150 nan 0.000 0.542 424 G N 2.250 111.099 108.800 0.082 0.000 3.064 424 G HA2 0.341 4.294 3.960 -0.011 0.000 0.286 424 G HA3 0.341 4.294 3.960 -0.011 0.000 0.286 424 G C 0.541 175.518 174.900 0.128 0.000 0.834 424 G CA -0.295 44.868 45.100 0.104 0.000 1.856 424 G HN 0.699 nan 8.290 nan 0.000 0.559 425 F N 2.358 122.324 119.950 0.028 0.000 2.077 425 F HA -0.384 4.136 4.527 -0.011 0.000 0.292 425 F C 2.619 178.437 175.800 0.029 0.000 1.120 425 F CA 2.727 60.742 58.000 0.026 0.000 1.246 425 F CB 0.267 39.279 39.000 0.021 0.000 0.941 425 F HN 0.572 nan 8.300 nan 0.000 0.514 426 D N -0.654 119.923 120.400 0.296 0.000 2.351 426 D HA -0.117 4.516 4.640 -0.011 0.000 0.216 426 D C 2.030 178.385 176.300 0.092 0.000 0.968 426 D CA 1.280 55.385 54.000 0.175 0.000 0.899 426 D CB -0.725 40.175 40.800 0.166 0.000 0.907 426 D HN 0.349 nan 8.370 nan 0.000 0.514 427 V N 0.940 120.902 119.914 0.081 0.000 2.878 427 V HA -0.066 4.047 4.120 -0.011 0.000 0.250 427 V C 2.435 178.558 176.094 0.049 0.000 1.075 427 V CA 0.754 63.098 62.300 0.073 0.000 1.096 427 V CB -0.311 31.554 31.823 0.070 0.000 0.724 427 V HN 0.152 nan 8.190 nan 0.000 0.467 428 R N 0.022 120.516 120.500 -0.010 0.000 2.236 428 R HA 0.024 4.357 4.340 -0.011 0.000 0.208 428 R C 0.776 177.047 176.300 -0.048 0.000 1.036 428 R CA 0.219 56.289 56.100 -0.050 0.000 1.001 428 R CB -0.256 29.953 30.300 -0.151 0.000 0.896 428 R HN 0.421 nan 8.270 nan 0.000 0.464 429 D N 1.170 121.540 120.400 -0.051 0.000 2.390 429 D HA -0.041 4.592 4.640 -0.011 0.000 0.236 429 D C -0.614 175.656 176.300 -0.051 0.000 1.189 429 D CA 0.291 54.260 54.000 -0.052 0.000 0.887 429 D CB 1.253 42.041 40.800 -0.021 0.000 1.198 429 D HN -0.201 nan 8.370 nan 0.000 0.444 430 V N 5.264 125.106 119.914 -0.119 0.000 2.304 430 V HA 0.066 4.180 4.120 -0.011 0.000 0.262 430 V C 0.016 175.823 176.094 -0.480 0.000 1.061 430 V CA -0.531 61.588 62.300 -0.301 0.000 0.872 430 V CB 0.204 31.977 31.823 -0.083 0.000 1.077 430 V HN 0.499 nan 8.190 nan 0.000 0.480 431 H N 6.189 124.666 119.070 -0.989 0.000 2.790 431 H HA 0.137 4.687 4.556 -0.011 0.000 0.358 431 H C 1.497 176.595 175.328 -0.383 0.000 1.103 431 H CA 0.818 56.554 56.048 -0.519 0.000 1.426 431 H CB 1.017 30.614 29.762 -0.275 0.000 1.424 431 H HN 0.821 nan 8.280 nan 0.000 0.599 432 R N 1.898 122.333 120.500 -0.107 0.000 2.113 432 R HA -0.184 4.149 4.340 -0.011 0.000 0.244 432 R C 1.544 178.009 176.300 0.275 0.000 1.142 432 R CA 2.358 58.487 56.100 0.048 0.000 0.953 432 R CB -1.363 28.884 30.300 -0.089 0.000 0.860 432 R HN 0.676 nan 8.270 nan 0.000 0.438 433 T N -1.680 113.181 114.554 0.512 0.000 2.918 433 T HA -0.167 4.177 4.350 -0.011 0.000 0.271 433 T C 1.185 175.998 174.700 0.188 0.000 1.104 433 T CA 1.629 63.791 62.100 0.102 0.000 1.114 433 T CB -0.604 68.019 68.868 -0.408 0.000 0.855 433 T HN 0.430 nan 8.240 nan 0.000 0.518 434 H N -0.044 119.062 119.070 0.060 0.000 2.457 434 H HA 0.107 4.656 4.556 -0.011 0.000 0.297 434 H C 0.490 175.834 175.328 0.026 0.000 1.092 434 H CA -0.211 55.851 56.048 0.023 0.000 1.309 434 H CB -1.013 28.773 29.762 0.040 0.000 1.382 434 H HN 0.552 nan 8.280 nan 0.000 0.535 435 Y N 1.441 121.775 120.300 0.056 0.000 2.916 435 Y HA 0.067 4.610 4.550 -0.011 0.000 0.344 435 Y C 1.594 177.440 175.900 -0.090 0.000 1.282 435 Y CA 0.896 58.965 58.100 -0.051 0.000 1.604 435 Y CB -0.150 38.291 38.460 -0.033 0.000 1.207 435 Y HN 0.490 nan 8.280 nan 0.000 0.561 436 G N 4.927 113.416 108.800 -0.519 0.000 2.180 436 G HA2 -0.351 3.602 3.960 -0.011 0.000 0.263 436 G HA3 -0.351 3.602 3.960 -0.011 0.000 0.263 436 G C 1.147 175.918 174.900 -0.215 0.000 0.989 436 G CA 0.900 45.729 45.100 -0.451 0.000 0.692 436 G HN 0.708 nan 8.290 nan 0.000 0.526 437 R N -1.317 119.099 120.500 -0.140 0.000 2.306 437 R HA 0.447 4.780 4.340 -0.011 0.000 0.183 437 R C 0.872 177.110 176.300 -0.103 0.000 0.937 437 R CA 0.290 56.336 56.100 -0.092 0.000 1.118 437 R CB 0.676 30.932 30.300 -0.074 0.000 1.224 437 R HN 0.399 nan 8.270 nan 0.000 0.597 438 I N 0.724 121.217 120.570 -0.128 0.000 2.530 438 I HA 0.193 4.356 4.170 -0.011 0.000 0.297 438 I C -0.205 175.881 176.117 -0.052 0.000 1.011 438 I CA -0.998 60.225 61.300 -0.128 0.000 1.107 438 I CB 2.644 40.471 38.000 -0.288 0.000 1.285 438 I HN 0.154 nan 8.210 nan 0.000 0.436 439 C N 8.521 127.817 119.300 -0.006 0.000 2.667 439 C HA 0.117 4.570 4.460 -0.011 0.000 0.392 439 C C -0.946 174.103 174.990 0.097 0.000 1.332 439 C CA -1.180 57.876 59.018 0.063 0.000 1.594 439 C CB -0.542 27.261 27.740 0.105 0.000 2.345 439 C HN 0.593 nan 8.230 nan 0.000 0.594 440 P HA -0.162 nan 4.420 nan 0.000 0.216 440 P C 1.588 178.986 177.300 0.164 0.000 1.153 440 P CA 1.416 64.600 63.100 0.140 0.000 0.858 440 P CB 0.050 31.807 31.700 0.095 0.000 0.789 441 V N -0.667 119.380 119.914 0.222 0.000 2.426 441 V HA 0.000 4.114 4.120 -0.011 0.000 0.242 441 V C 1.017 177.185 176.094 0.124 0.000 1.036 441 V CA 0.744 63.155 62.300 0.185 0.000 1.044 441 V CB -0.707 31.251 31.823 0.225 0.000 0.688 441 V HN -0.006 nan 8.190 nan 0.000 0.462 442 E N 1.339 121.613 120.200 0.124 0.000 2.328 442 E HA 0.248 4.591 4.350 -0.011 0.000 0.265 442 E C -0.504 176.126 176.600 0.050 0.000 1.057 442 E CA 0.509 56.954 56.400 0.075 0.000 0.916 442 E CB 0.195 29.937 29.700 0.069 0.000 0.993 442 E HN 0.545 nan 8.360 nan 0.000 0.446 443 T N 5.135 119.709 114.554 0.034 0.000 3.087 443 T HA 0.273 4.617 4.350 -0.011 0.000 0.351 443 T C -2.865 171.839 174.700 0.007 0.000 1.520 443 T CA -1.439 60.671 62.100 0.017 0.000 1.111 443 T CB 1.530 70.410 68.868 0.021 0.000 1.353 443 T HN 0.254 nan 8.240 nan 0.000 0.481 444 P HA 0.140 nan 4.420 nan 0.000 0.264 444 P C -0.484 176.813 177.300 -0.004 0.000 1.193 444 P CA 0.022 63.117 63.100 -0.009 0.000 0.763 444 P CB 0.497 32.184 31.700 -0.020 0.000 0.810 445 E N 2.078 122.278 120.200 0.000 0.000 2.316 445 E HA 0.448 4.791 4.350 -0.011 0.000 0.275 445 E C 0.205 176.804 176.600 -0.002 0.000 1.029 445 E CA -0.196 56.206 56.400 0.002 0.000 0.871 445 E CB 0.071 29.775 29.700 0.007 0.000 1.022 445 E HN 0.769 nan 8.360 nan 0.000 0.418 446 G N 2.158 110.956 108.800 -0.003 0.000 2.340 446 G HA2 0.043 3.997 3.960 -0.011 0.000 0.527 446 G HA3 0.043 3.997 3.960 -0.011 0.000 0.527 446 G C 0.312 175.209 174.900 -0.006 0.000 1.381 446 G CA -0.294 44.804 45.100 -0.003 0.000 1.001 446 G HN 0.630 nan 8.290 nan 0.000 0.626 447 A N -0.323 122.496 122.820 -0.002 0.000 2.255 447 A HA -0.078 4.235 4.320 -0.011 0.000 0.218 447 A C 1.759 179.339 177.584 -0.006 0.000 1.175 447 A CA 2.161 54.198 52.037 -0.001 0.000 0.682 447 A CB -0.338 18.666 19.000 0.006 0.000 0.784 447 A HN 0.617 nan 8.150 nan 0.000 0.482 448 N N -0.587 118.108 118.700 -0.009 0.000 2.270 448 N HA 0.139 4.872 4.740 -0.011 0.000 0.198 448 N C 0.336 175.836 175.510 -0.016 0.000 1.117 448 N CA -0.144 52.899 53.050 -0.011 0.000 0.845 448 N CB 0.065 38.544 38.487 -0.012 0.000 0.980 448 N HN 0.678 nan 8.380 nan 0.000 0.486 449 I N 0.508 121.066 120.570 -0.020 0.000 2.815 449 I HA -0.017 4.146 4.170 -0.011 0.000 0.291 449 I C 1.210 177.307 176.117 -0.034 0.000 1.209 449 I CA 0.868 62.153 61.300 -0.026 0.000 1.431 449 I CB 0.357 38.337 38.000 -0.034 0.000 1.351 449 I HN 0.375 nan 8.210 nan 0.000 0.585 450 G N 5.858 114.645 108.800 -0.022 0.000 2.166 450 G HA2 -0.279 3.674 3.960 -0.011 0.000 0.260 450 G HA3 -0.279 3.674 3.960 -0.011 0.000 0.260 450 G C 0.460 175.359 174.900 -0.002 0.000 0.986 450 G CA 0.781 45.873 45.100 -0.013 0.000 0.683 450 G HN 0.644 nan 8.290 nan 0.000 0.527 451 L N -1.552 119.668 121.223 -0.006 0.000 2.803 451 L HA 0.503 4.837 4.340 -0.011 0.000 0.246 451 L C 0.887 177.752 176.870 -0.009 0.000 1.100 451 L CA 0.037 54.876 54.840 -0.003 0.000 0.919 451 L CB 0.362 42.419 42.059 -0.004 0.000 1.285 451 L HN 0.152 nan 8.230 nan 0.000 0.522 452 I N -0.060 120.501 120.570 -0.016 0.000 2.465 452 I HA 0.465 4.628 4.170 -0.011 0.000 0.291 452 I C -0.286 175.817 176.117 -0.023 0.000 1.014 452 I CA -0.157 61.127 61.300 -0.028 0.000 1.093 452 I CB 2.256 40.232 38.000 -0.040 0.000 1.267 452 I HN -0.153 nan 8.210 nan 0.000 0.431 453 T N 3.004 117.540 114.554 -0.030 0.000 2.787 453 T HA 0.501 4.845 4.350 -0.011 0.000 0.297 453 T C -1.117 173.568 174.700 -0.026 0.000 1.221 453 T CA -0.368 61.719 62.100 -0.022 0.000 1.006 453 T CB 2.081 70.933 68.868 -0.026 0.000 1.328 453 T HN 0.513 nan 8.240 nan 0.000 0.509 454 S N 0.513 116.207 115.700 -0.011 0.000 2.681 454 S HA 0.751 5.215 4.470 -0.011 0.000 0.299 454 S C -0.882 173.711 174.600 -0.012 0.000 1.113 454 S CA -0.721 57.476 58.200 -0.005 0.000 1.013 454 S CB 0.972 64.181 63.200 0.016 0.000 1.076 454 S HN 0.713 nan 8.310 nan 0.000 0.534 455 L N 3.435 124.654 121.223 -0.007 0.000 2.305 455 L HA 0.683 5.017 4.340 -0.011 0.000 0.281 455 L C 0.252 177.120 176.870 -0.004 0.000 1.085 455 L CA -0.147 54.685 54.840 -0.014 0.000 0.813 455 L CB 0.585 42.641 42.059 -0.005 0.000 1.157 455 L HN 0.722 nan 8.230 nan 0.000 0.436 456 A N 4.936 127.742 122.820 -0.024 0.000 2.561 456 A HA 0.371 4.684 4.320 -0.011 0.000 0.251 456 A C 1.633 179.223 177.584 0.009 0.000 1.062 456 A CA 0.527 52.548 52.037 -0.027 0.000 0.761 456 A CB -0.482 18.459 19.000 -0.099 0.000 0.986 456 A HN 1.393 nan 8.150 nan 0.000 0.510 457 A N 3.267 126.106 122.820 0.031 0.000 1.899 457 A HA -0.281 4.032 4.320 -0.011 0.000 0.230 457 A C 1.795 179.352 177.584 -0.044 0.000 1.593 457 A CA 2.608 54.642 52.037 -0.006 0.000 0.728 457 A CB -1.274 17.735 19.000 0.015 0.000 0.848 457 A HN 0.995 nan 8.150 nan 0.000 0.490 458 Y N -0.277 120.004 120.300 -0.032 0.000 2.395 458 Y HA 0.342 4.886 4.550 -0.011 0.000 0.293 458 Y C 1.857 177.783 175.900 0.043 0.000 1.123 458 Y CA 0.088 58.181 58.100 -0.012 0.000 1.227 458 Y CB -0.446 37.951 38.460 -0.105 0.000 1.012 458 Y HN 0.453 nan 8.280 nan 0.000 0.552 459 A N 1.587 124.485 122.820 0.130 0.000 2.586 459 A HA 0.159 4.472 4.320 -0.011 0.000 0.231 459 A C 0.492 178.178 177.584 0.169 0.000 1.055 459 A CA 0.221 52.327 52.037 0.116 0.000 0.756 459 A CB 0.030 19.044 19.000 0.023 0.000 0.988 459 A HN 0.405 nan 8.150 nan 0.000 0.509 460 R N 1.406 122.032 120.500 0.210 0.000 2.651 460 R HA 0.569 4.902 4.340 -0.011 0.000 0.278 460 R C -2.205 174.144 176.300 0.081 0.000 1.010 460 R CA -0.538 55.625 56.100 0.105 0.000 0.896 460 R CB 1.860 32.150 30.300 -0.017 0.000 1.211 460 R HN 0.522 nan 8.270 nan 0.000 0.456 461 V N 3.754 123.694 119.914 0.043 0.000 2.398 461 V HA 0.185 4.299 4.120 -0.011 0.000 0.286 461 V C -0.479 175.641 176.094 0.044 0.000 1.026 461 V CA -0.630 61.706 62.300 0.059 0.000 0.868 461 V CB 1.657 33.505 31.823 0.043 0.000 0.982 461 V HN 0.898 nan 8.190 nan 0.000 0.443 462 D N 3.488 123.935 120.400 0.078 0.000 2.312 462 D HA 0.163 4.796 4.640 -0.011 0.000 0.248 462 D C 1.203 177.543 176.300 0.066 0.000 1.086 462 D CA -0.557 53.481 54.000 0.062 0.000 0.948 462 D CB 0.643 41.497 40.800 0.090 0.000 1.162 462 D HN 0.527 nan 8.370 nan 0.000 0.446 463 E N 0.966 121.199 120.200 0.056 0.000 2.301 463 E HA -0.250 4.093 4.350 -0.011 0.000 0.202 463 E C 1.303 177.976 176.600 0.121 0.000 1.017 463 E CA 0.836 57.279 56.400 0.072 0.000 0.831 463 E CB -0.517 29.211 29.700 0.047 0.000 0.742 463 E HN 0.524 nan 8.360 nan 0.000 0.491 464 L N 0.450 121.745 121.223 0.121 0.000 2.627 464 L HA 0.270 4.603 4.340 -0.011 0.000 0.233 464 L C 1.138 177.926 176.870 -0.136 0.000 1.144 464 L CA 1.059 55.995 54.840 0.159 0.000 0.892 464 L CB -0.255 41.950 42.059 0.243 0.000 1.039 464 L HN 0.365 nan 8.230 nan 0.000 0.442 465 G N -0.885 107.859 108.800 -0.093 0.000 2.246 465 G HA2 -0.312 3.642 3.960 -0.011 0.000 0.273 465 G HA3 -0.312 3.642 3.960 -0.011 0.000 0.273 465 G C -0.065 174.651 174.900 -0.306 0.000 1.055 465 G CA 0.263 45.241 45.100 -0.203 0.000 0.851 465 G HN 0.176 nan 8.290 nan 0.000 0.500 466 F N -0.642 119.331 119.950 0.039 0.000 2.532 466 F HA 0.683 5.203 4.527 -0.011 0.000 0.321 466 F C 0.825 176.642 175.800 0.029 0.000 1.089 466 F CA -1.808 56.209 58.000 0.029 0.000 0.926 466 F CB 1.260 40.297 39.000 0.062 0.000 1.168 466 F HN 0.022 nan 8.300 nan 0.000 0.459 467 I N 2.590 123.311 120.570 0.251 0.000 2.886 467 I HA 0.503 4.667 4.170 -0.011 0.000 0.299 467 I C -0.101 176.106 176.117 0.150 0.000 1.044 467 I CA -0.644 60.743 61.300 0.145 0.000 1.310 467 I CB 1.083 39.128 38.000 0.074 0.000 1.441 467 I HN 0.488 nan 8.210 nan 0.000 0.578 468 R N 1.582 122.186 120.500 0.172 0.000 2.707 468 R HA 0.580 4.914 4.340 -0.011 0.000 0.272 468 R C -1.453 174.957 176.300 0.183 0.000 1.011 468 R CA -0.813 55.412 56.100 0.208 0.000 0.893 468 R CB 2.519 33.009 30.300 0.318 0.000 1.233 468 R HN 0.540 nan 8.270 nan 0.000 0.464 469 T N 2.358 116.872 114.554 -0.067 0.000 2.893 469 T HA 0.396 4.740 4.350 -0.011 0.000 0.293 469 T C -2.744 171.448 174.700 -0.847 0.000 1.027 469 T CA -1.625 60.213 62.100 -0.436 0.000 0.988 469 T CB 2.305 70.917 68.868 -0.427 0.000 1.043 469 T HN 0.213 nan 8.240 nan 0.000 0.461 470 P HA 0.269 nan 4.420 nan 0.000 0.264 470 P C -1.309 175.539 177.300 -0.753 0.000 1.193 470 P CA 0.234 62.758 63.100 -0.961 0.000 0.763 470 P CB 0.111 31.335 31.700 -0.793 0.000 0.810 471 Y N 1.325 121.501 120.300 -0.207 0.000 2.482 471 Y HA 0.294 4.838 4.550 -0.011 0.000 0.334 471 Y C 0.404 176.417 175.900 0.190 0.000 1.091 471 Y CA -1.211 56.895 58.100 0.009 0.000 1.027 471 Y CB 2.107 40.564 38.460 -0.006 0.000 1.306 471 Y HN 0.242 nan 8.280 nan 0.000 0.446 472 R N 1.877 122.576 120.500 0.332 0.000 2.368 472 R HA 0.657 4.990 4.340 -0.011 0.000 0.302 472 R C -0.652 175.526 176.300 -0.203 0.000 1.002 472 R CA -1.125 55.044 56.100 0.114 0.000 0.929 472 R CB 1.672 31.984 30.300 0.020 0.000 1.073 472 R HN 0.567 nan 8.270 nan 0.000 0.464 473 R N 1.748 122.007 120.500 -0.402 0.000 2.537 473 R HA 0.131 4.465 4.340 -0.011 0.000 0.280 473 R C -0.707 175.242 176.300 -0.584 0.000 1.058 473 R CA -0.120 55.414 56.100 -0.942 0.000 1.057 473 R CB 0.834 30.876 30.300 -0.429 0.000 0.973 473 R HN 0.562 nan 8.270 nan 0.000 0.438 474 V N 5.120 124.655 119.914 -0.633 0.000 2.769 474 V HA 0.603 4.717 4.120 -0.011 0.000 0.312 474 V C -1.128 174.844 176.094 -0.203 0.000 1.058 474 V CA -0.627 61.487 62.300 -0.309 0.000 0.952 474 V CB 2.212 33.896 31.823 -0.231 0.000 1.019 474 V HN 0.569 nan 8.190 nan 0.000 0.445 475 V N 4.968 124.808 119.914 -0.122 0.000 2.443 475 V HA 0.485 4.598 4.120 -0.011 0.000 0.272 475 V C 0.694 176.758 176.094 -0.050 0.000 1.002 475 V CA -0.064 62.190 62.300 -0.077 0.000 0.840 475 V CB 0.764 32.550 31.823 -0.063 0.000 1.042 475 V HN 1.342 nan 8.190 nan 0.000 0.446 476 G N 3.031 111.807 108.800 -0.039 0.000 2.396 476 G HA2 0.089 4.042 3.960 -0.011 0.000 0.288 476 G HA3 0.089 4.042 3.960 -0.011 0.000 0.288 476 G C 1.286 176.172 174.900 -0.024 0.000 0.926 476 G CA 1.162 46.247 45.100 -0.025 0.000 1.211 476 G HN 2.210 nan 8.290 nan 0.000 0.496 477 G N -2.792 105.991 108.800 -0.028 0.000 2.258 477 G HA2 -0.089 3.864 3.960 -0.011 0.000 0.233 477 G HA3 -0.089 3.864 3.960 -0.011 0.000 0.233 477 G C 0.425 175.309 174.900 -0.026 0.000 1.006 477 G CA 0.304 45.391 45.100 -0.022 0.000 0.620 477 G HN 1.644 nan 8.290 nan 0.000 0.511 478 V N 1.862 121.755 119.914 -0.035 0.000 2.432 478 V HA 0.580 4.693 4.120 -0.011 0.000 0.275 478 V C 0.672 176.734 176.094 -0.054 0.000 1.043 478 V CA -0.679 61.599 62.300 -0.036 0.000 0.925 478 V CB 1.743 33.546 31.823 -0.033 0.000 0.985 478 V HN 0.299 nan 8.190 nan 0.000 0.466 479 V N 4.486 124.374 119.914 -0.044 0.000 2.383 479 V HA 0.323 4.436 4.120 -0.011 0.000 0.275 479 V C 0.485 176.548 176.094 -0.050 0.000 1.036 479 V CA -0.258 62.009 62.300 -0.054 0.000 0.889 479 V CB 1.418 33.221 31.823 -0.034 0.000 0.985 479 V HN 0.981 nan 8.190 nan 0.000 0.459 480 T N 3.220 117.730 114.554 -0.074 0.000 2.845 480 T HA 0.224 4.568 4.350 -0.011 0.000 0.288 480 T C 0.601 175.281 174.700 -0.032 0.000 0.980 480 T CA -0.483 61.584 62.100 -0.054 0.000 1.071 480 T CB 1.191 70.014 68.868 -0.075 0.000 0.941 480 T HN 0.627 nan 8.240 nan 0.000 0.487 481 D N 1.202 121.597 120.400 -0.009 0.000 2.352 481 D HA -0.032 4.601 4.640 -0.011 0.000 0.232 481 D C 0.665 176.978 176.300 0.021 0.000 1.055 481 D CA 0.330 54.335 54.000 0.008 0.000 0.891 481 D CB 0.339 41.149 40.800 0.016 0.000 0.897 481 D HN 0.552 nan 8.370 nan 0.000 0.529 482 E N 1.916 122.125 120.200 0.014 0.000 2.003 482 E HA 0.084 4.427 4.350 -0.011 0.000 0.279 482 E C -0.362 176.280 176.600 0.070 0.000 1.132 482 E CA -0.169 56.254 56.400 0.038 0.000 0.888 482 E CB 0.907 30.622 29.700 0.025 0.000 1.056 482 E HN -0.120 nan 8.360 nan 0.000 0.399 483 V N 4.473 124.442 119.914 0.092 0.000 3.133 483 V HA 0.223 4.336 4.120 -0.011 0.000 0.305 483 V C -0.420 175.776 176.094 0.171 0.000 1.084 483 V CA -0.162 62.209 62.300 0.118 0.000 1.089 483 V CB 1.529 33.409 31.823 0.096 0.000 1.073 483 V HN 0.434 nan 8.190 nan 0.000 0.477 484 V N 5.574 125.590 119.914 0.171 0.000 2.637 484 V HA 0.282 4.396 4.120 -0.011 0.000 0.274 484 V C -0.914 175.210 176.094 0.051 0.000 1.004 484 V CA -0.698 61.692 62.300 0.150 0.000 0.894 484 V CB 0.813 32.734 31.823 0.163 0.000 1.046 484 V HN 0.834 nan 8.190 nan 0.000 0.467 485 Y N 3.875 124.188 120.300 0.022 0.000 2.550 485 Y HA 0.472 5.015 4.550 -0.011 0.000 0.343 485 Y C 0.436 176.332 175.900 -0.008 0.000 1.245 485 Y CA 0.737 58.836 58.100 -0.001 0.000 1.462 485 Y CB 0.843 39.308 38.460 0.009 0.000 1.340 485 Y HN 0.682 nan 8.280 nan 0.000 0.604 486 M N 1.584 121.245 119.600 0.101 0.000 2.603 486 M HA 0.343 4.816 4.480 -0.011 0.000 0.275 486 M C -0.865 175.484 176.300 0.082 0.000 1.226 486 M CA -0.549 54.790 55.300 0.065 0.000 0.870 486 M CB 1.862 34.457 32.600 -0.008 0.000 1.716 486 M HN 0.692 nan 8.290 nan 0.000 0.482 487 T N 0.216 114.809 114.554 0.065 0.000 2.884 487 T HA 0.733 5.076 4.350 -0.011 0.000 0.277 487 T C 0.934 175.661 174.700 0.044 0.000 0.976 487 T CA 0.016 62.140 62.100 0.040 0.000 0.956 487 T CB 1.157 70.012 68.868 -0.021 0.000 1.113 487 T HN 0.822 nan 8.240 nan 0.000 0.554 488 A N 0.997 123.821 122.820 0.007 0.000 1.841 488 A HA -0.035 4.279 4.320 -0.011 0.000 0.216 488 A C 2.646 180.319 177.584 0.148 0.000 1.199 488 A CA 2.956 55.000 52.037 0.010 0.000 0.621 488 A CB -2.054 16.852 19.000 -0.157 0.000 0.835 488 A HN 1.173 nan 8.150 nan 0.000 0.445 489 T N -1.279 113.404 114.554 0.215 0.000 2.555 489 T HA -0.259 4.084 4.350 -0.011 0.000 0.264 489 T C 1.592 176.364 174.700 0.120 0.000 1.083 489 T CA 1.838 64.038 62.100 0.167 0.000 1.179 489 T CB -0.877 68.010 68.868 0.032 0.000 0.863 489 T HN 0.570 nan 8.240 nan 0.000 0.412 490 E N 1.159 121.429 120.200 0.118 0.000 2.169 490 E HA -0.248 4.095 4.350 -0.011 0.000 0.202 490 E C 2.254 179.002 176.600 0.247 0.000 1.016 490 E CA 1.719 58.222 56.400 0.172 0.000 0.817 490 E CB -0.278 29.516 29.700 0.157 0.000 0.736 490 E HN 0.794 nan 8.360 nan 0.000 0.462 491 E N 0.604 120.902 120.200 0.164 0.000 2.051 491 E HA -0.232 4.111 4.350 -0.011 0.000 0.192 491 E C 1.431 178.130 176.600 0.165 0.000 0.991 491 E CA 1.447 57.933 56.400 0.145 0.000 0.799 491 E CB 0.070 29.841 29.700 0.117 0.000 0.748 491 E HN 0.205 nan 8.360 nan 0.000 0.449 492 D N 0.166 120.643 120.400 0.128 0.000 2.271 492 D HA -0.175 4.459 4.640 -0.011 0.000 0.207 492 D C 1.849 178.154 176.300 0.009 0.000 0.983 492 D CA 0.815 54.864 54.000 0.082 0.000 0.878 492 D CB -0.217 40.647 40.800 0.108 0.000 0.920 492 D HN 0.255 nan 8.370 nan 0.000 0.479 493 R N -0.613 119.862 120.500 -0.042 0.000 2.152 493 R HA -0.079 4.254 4.340 -0.011 0.000 0.232 493 R C 0.476 176.478 176.300 -0.498 0.000 1.117 493 R CA 0.787 56.687 56.100 -0.334 0.000 0.981 493 R CB -0.029 29.894 30.300 -0.628 0.000 0.870 493 R HN 0.274 nan 8.270 nan 0.000 0.451 494 Y N -0.992 119.275 120.300 -0.054 0.000 2.699 494 Y HA 0.359 4.902 4.550 -0.011 0.000 0.326 494 Y C 0.339 176.210 175.900 -0.048 0.000 1.141 494 Y CA -1.251 56.822 58.100 -0.045 0.000 1.246 494 Y CB 0.837 39.260 38.460 -0.063 0.000 1.426 494 Y HN -0.369 nan 8.280 nan 0.000 0.559 495 T N 2.640 117.298 114.554 0.173 0.000 2.809 495 T HA 0.529 4.873 4.350 -0.011 0.000 0.296 495 T C -0.631 174.099 174.700 0.050 0.000 1.015 495 T CA -0.378 61.765 62.100 0.072 0.000 0.954 495 T CB -0.345 68.558 68.868 0.058 0.000 0.950 495 T HN 0.290 nan 8.240 nan 0.000 0.450 496 I N 3.116 123.680 120.570 -0.009 0.000 2.330 496 I HA 0.523 4.686 4.170 -0.011 0.000 0.289 496 I C 0.711 176.837 176.117 0.015 0.000 1.001 496 I CA -0.935 60.343 61.300 -0.036 0.000 1.193 496 I CB 1.190 39.108 38.000 -0.138 0.000 1.345 496 I HN 0.588 nan 8.210 nan 0.000 0.461 497 A N 6.707 129.547 122.820 0.035 0.000 2.371 497 A HA 0.351 4.664 4.320 -0.011 0.000 0.257 497 A C 0.112 177.742 177.584 0.077 0.000 1.089 497 A CA -0.502 51.560 52.037 0.042 0.000 0.794 497 A CB 0.390 19.408 19.000 0.030 0.000 1.029 497 A HN 0.654 nan 8.150 nan 0.000 0.488 498 Q N 0.723 120.565 119.800 0.069 0.000 2.364 498 Q HA 0.225 4.559 4.340 -0.011 0.000 0.267 498 Q C 1.474 177.522 176.000 0.079 0.000 0.999 498 Q CA 0.539 56.397 55.803 0.091 0.000 0.886 498 Q CB 1.030 29.814 28.738 0.076 0.000 1.243 498 Q HN 0.851 nan 8.270 nan 0.000 0.415 499 A N 4.274 127.141 122.820 0.079 0.000 1.884 499 A HA -0.280 4.033 4.320 -0.011 0.000 0.219 499 A C 1.420 179.037 177.584 0.054 0.000 1.197 499 A CA 2.048 54.117 52.037 0.052 0.000 0.637 499 A CB -0.764 18.248 19.000 0.020 0.000 0.827 499 A HN 0.930 nan 8.150 nan 0.000 0.450 500 N N 0.411 119.152 118.700 0.068 0.000 2.661 500 N HA -0.093 4.640 4.740 -0.011 0.000 0.196 500 N C -0.276 175.273 175.510 0.066 0.000 1.129 500 N CA 1.227 54.324 53.050 0.079 0.000 0.938 500 N CB -1.193 37.357 38.487 0.105 0.000 0.966 500 N HN 0.348 nan 8.380 nan 0.000 0.450 501 T N 3.385 117.972 114.554 0.054 0.000 2.871 501 T HA 0.118 4.461 4.350 -0.011 0.000 0.296 501 T C -2.125 172.598 174.700 0.038 0.000 0.998 501 T CA -0.575 61.551 62.100 0.043 0.000 1.162 501 T CB 0.668 69.556 68.868 0.034 0.000 0.947 501 T HN 0.196 nan 8.240 nan 0.000 0.536 502 P HA 0.244 nan 4.420 nan 0.000 0.266 502 P C -0.544 176.771 177.300 0.025 0.000 1.193 502 P CA -0.187 62.933 63.100 0.033 0.000 0.770 502 P CB 0.459 32.177 31.700 0.030 0.000 0.836 503 L N 1.583 122.821 121.223 0.024 0.000 2.485 503 L HA 0.627 4.961 4.340 -0.011 0.000 0.245 503 L C -1.409 175.471 176.870 0.016 0.000 1.137 503 L CA -0.555 54.295 54.840 0.017 0.000 0.954 503 L CB 1.895 43.964 42.059 0.017 0.000 1.560 503 L HN 0.591 nan 8.230 nan 0.000 0.403 504 E N -0.217 119.990 120.200 0.012 0.000 2.683 504 E HA 0.483 4.826 4.350 -0.011 0.000 0.339 504 E C 0.051 176.656 176.600 0.008 0.000 0.921 504 E CA -0.214 56.193 56.400 0.012 0.000 0.786 504 E CB 0.484 30.191 29.700 0.011 0.000 1.363 504 E HN 1.000 nan 8.360 nan 0.000 0.401 505 G N 4.745 113.551 108.800 0.010 0.000 5.059 505 G HA2 -0.442 3.511 3.960 -0.011 0.000 0.336 505 G HA3 -0.442 3.511 3.960 -0.011 0.000 0.336 505 G C 0.734 175.637 174.900 0.004 0.000 1.364 505 G CA 1.076 46.181 45.100 0.007 0.000 1.020 505 G HN 0.597 nan 8.290 nan 0.000 0.807 506 N N -0.099 118.601 118.700 0.000 0.000 1.921 506 N HA 0.063 4.796 4.740 -0.011 0.000 0.237 506 N C 0.292 175.797 175.510 -0.008 0.000 1.352 506 N CA 0.255 53.301 53.050 -0.006 0.000 0.805 506 N CB 0.662 39.142 38.487 -0.011 0.000 1.159 506 N HN 0.529 nan 8.380 nan 0.000 0.473 507 R N 1.414 121.911 120.500 -0.005 0.000 2.489 507 R HA 0.288 4.621 4.340 -0.011 0.000 0.287 507 R C 0.526 176.825 176.300 -0.001 0.000 1.053 507 R CA 0.175 56.273 56.100 -0.005 0.000 1.036 507 R CB 0.546 30.845 30.300 -0.002 0.000 0.966 507 R HN 0.090 nan 8.270 nan 0.000 0.432 508 I N 1.338 121.905 120.570 -0.003 0.000 2.836 508 I HA 0.085 4.248 4.170 -0.011 0.000 0.285 508 I C 0.663 176.783 176.117 0.005 0.000 1.174 508 I CA 0.170 61.471 61.300 0.001 0.000 1.405 508 I CB 0.847 38.846 38.000 -0.002 0.000 1.385 508 I HN 0.712 nan 8.210 nan 0.000 0.594 509 A N 5.109 127.935 122.820 0.010 0.000 3.215 509 A HA 0.788 5.102 4.320 -0.011 0.000 0.320 509 A C -0.164 177.428 177.584 0.013 0.000 1.084 509 A CA -0.191 51.853 52.037 0.012 0.000 0.969 509 A CB -0.038 18.971 19.000 0.015 0.000 1.064 509 A HN 0.819 nan 8.150 nan 0.000 0.513 510 A N -0.427 122.399 122.820 0.010 0.000 2.590 510 A HA 0.583 4.897 4.320 -0.011 0.000 0.296 510 A C 0.208 177.797 177.584 0.008 0.000 1.050 510 A CA -0.295 51.749 52.037 0.011 0.000 0.697 510 A CB 0.506 19.514 19.000 0.014 0.000 1.277 510 A HN 0.280 nan 8.150 nan 0.000 0.411 511 E N -0.035 120.170 120.200 0.007 0.000 2.230 511 E HA 0.007 4.350 4.350 -0.011 0.000 0.192 511 E C 0.024 176.627 176.600 0.005 0.000 0.987 511 E CA 0.635 57.038 56.400 0.005 0.000 0.841 511 E CB 0.226 29.929 29.700 0.005 0.000 0.783 511 E HN 0.392 nan 8.360 nan 0.000 0.481 512 R N 0.304 120.809 120.500 0.007 0.000 2.628 512 R HA 0.437 4.770 4.340 -0.011 0.000 0.288 512 R C -0.807 175.499 176.300 0.010 0.000 0.980 512 R CA -0.664 55.440 56.100 0.007 0.000 0.891 512 R CB 1.950 32.254 30.300 0.006 0.000 1.188 512 R HN -0.159 nan 8.270 nan 0.000 0.450 513 V N 1.905 121.824 119.914 0.009 0.000 2.919 513 V HA 0.512 4.626 4.120 -0.011 0.000 0.316 513 V C 0.024 176.125 176.094 0.012 0.000 1.077 513 V CA -1.073 61.235 62.300 0.012 0.000 0.977 513 V CB 2.309 34.138 31.823 0.011 0.000 1.039 513 V HN 0.531 nan 8.190 nan 0.000 0.441 514 V N 0.501 120.425 119.914 0.017 0.000 2.383 514 V HA 0.985 5.098 4.120 -0.011 0.000 0.275 514 V C 0.063 176.164 176.094 0.013 0.000 1.036 514 V CA -0.012 62.297 62.300 0.016 0.000 0.889 514 V CB 0.201 32.040 31.823 0.026 0.000 0.985 514 V HN 1.292 nan 8.190 nan 0.000 0.459 515 A N 5.168 127.987 122.820 -0.001 0.000 2.529 515 A HA 0.991 5.305 4.320 -0.011 0.000 0.296 515 A C -0.717 176.844 177.584 -0.038 0.000 1.205 515 A CA -1.307 50.724 52.037 -0.010 0.000 0.671 515 A CB 1.869 20.869 19.000 -0.000 0.000 1.301 515 A HN 0.886 nan 8.150 nan 0.000 0.450 516 R N 0.094 120.562 120.500 -0.053 0.000 2.533 516 R HA 0.566 4.900 4.340 -0.011 0.000 0.288 516 R C -1.301 174.967 176.300 -0.053 0.000 1.039 516 R CA -0.664 55.387 56.100 -0.081 0.000 0.909 516 R CB 2.285 32.485 30.300 -0.167 0.000 1.195 516 R HN 0.604 nan 8.270 nan 0.000 0.438 517 R N 2.817 123.294 120.500 -0.039 0.000 2.204 517 R HA 0.116 4.450 4.340 -0.011 0.000 0.341 517 R C -0.214 176.076 176.300 -0.016 0.000 1.035 517 R CA -0.683 55.406 56.100 -0.018 0.000 0.887 517 R CB 0.955 31.245 30.300 -0.016 0.000 1.114 517 R HN 0.752 nan 8.270 nan 0.000 0.473 518 K N 1.168 121.569 120.400 0.001 0.000 3.177 518 K HA -0.263 4.050 4.320 -0.011 0.000 0.266 518 K C 0.293 176.893 176.600 0.001 0.000 0.937 518 K CA 0.873 57.175 56.287 0.026 0.000 0.702 518 K CB -2.156 30.369 32.500 0.042 0.000 1.365 518 K HN 1.015 nan 8.250 nan 0.000 0.466 519 G N -0.403 108.368 108.800 -0.048 0.000 2.149 519 G HA2 -0.230 3.723 3.960 -0.011 0.000 0.235 519 G HA3 -0.230 3.723 3.960 -0.011 0.000 0.235 519 G C -0.566 174.285 174.900 -0.083 0.000 1.018 519 G CA 0.228 45.274 45.100 -0.090 0.000 0.728 519 G HN 0.460 nan 8.290 nan 0.000 0.508 520 E N 0.641 120.799 120.200 -0.068 0.000 2.063 520 E HA 0.447 4.790 4.350 -0.011 0.000 0.265 520 E C -2.355 174.211 176.600 -0.058 0.000 0.919 520 E CA -2.688 53.679 56.400 -0.054 0.000 0.756 520 E CB 1.253 30.932 29.700 -0.036 0.000 1.120 520 E HN 0.143 nan 8.360 nan 0.000 0.414 521 P HA -0.022 nan 4.420 nan 0.000 0.257 521 P C -0.778 176.503 177.300 -0.032 0.000 1.269 521 P CA 0.279 63.348 63.100 -0.051 0.000 1.122 521 P CB 0.302 31.976 31.700 -0.044 0.000 1.285 522 V N 4.436 124.333 119.914 -0.028 0.000 3.040 522 V HA 0.468 4.581 4.120 -0.011 0.000 0.312 522 V C 0.071 176.160 176.094 -0.009 0.000 1.115 522 V CA -1.090 61.200 62.300 -0.017 0.000 0.998 522 V CB 2.898 34.711 31.823 -0.017 0.000 1.042 522 V HN 0.308 nan 8.190 nan 0.000 0.433 523 I N 3.253 123.819 120.570 -0.006 0.000 2.525 523 I HA 0.837 5.001 4.170 -0.011 0.000 0.301 523 I C -1.155 174.961 176.117 -0.001 0.000 0.992 523 I CA -0.646 60.654 61.300 -0.001 0.000 1.162 523 I CB 1.693 39.694 38.000 0.001 0.000 1.332 523 I HN 0.662 nan 8.210 nan 0.000 0.458 524 V N 2.589 122.504 119.914 0.002 0.000 3.023 524 V HA 0.441 4.554 4.120 -0.011 0.000 0.294 524 V C -0.340 175.756 176.094 0.003 0.000 1.324 524 V CA -0.715 61.586 62.300 0.001 0.000 0.979 524 V CB 0.902 32.726 31.823 0.002 0.000 1.093 524 V HN 0.848 nan 8.190 nan 0.000 0.434 525 S N 2.350 118.051 115.700 0.002 0.000 2.562 525 S HA 0.430 4.893 4.470 -0.011 0.000 0.281 525 S C -1.512 173.089 174.600 0.001 0.000 1.333 525 S CA -0.249 57.953 58.200 0.002 0.000 1.052 525 S CB 0.821 64.021 63.200 0.001 0.000 0.884 525 S HN 0.734 nan 8.310 nan 0.000 0.506 526 P HA -0.280 nan 4.420 nan 0.000 0.222 526 P C 1.232 178.529 177.300 -0.005 0.000 1.147 526 P CA 2.124 65.222 63.100 -0.003 0.000 0.958 526 P CB -0.137 31.560 31.700 -0.004 0.000 0.788 527 E N -0.140 120.057 120.200 -0.005 0.000 2.172 527 E HA -0.271 4.073 4.350 -0.011 0.000 0.213 527 E C 1.785 178.384 176.600 -0.002 0.000 1.051 527 E CA 1.971 58.367 56.400 -0.005 0.000 0.860 527 E CB -1.211 28.488 29.700 -0.003 0.000 0.755 527 E HN 0.532 nan 8.360 nan 0.000 0.462 528 E N 0.646 120.847 120.200 0.002 0.000 2.267 528 E HA -0.083 4.261 4.350 -0.011 0.000 0.197 528 E C 0.324 176.933 176.600 0.014 0.000 0.998 528 E CA 0.620 57.024 56.400 0.007 0.000 0.830 528 E CB -0.078 29.625 29.700 0.005 0.000 0.751 528 E HN 0.074 nan 8.360 nan 0.000 0.491 529 V N 1.684 121.603 119.914 0.008 0.000 2.924 529 V HA -0.069 4.045 4.120 -0.011 0.000 0.305 529 V C 1.044 177.146 176.094 0.013 0.000 1.073 529 V CA 0.629 62.936 62.300 0.011 0.000 1.098 529 V CB 1.161 32.981 31.823 -0.005 0.000 1.000 529 V HN 0.163 nan 8.190 nan 0.000 0.484 530 E N 1.211 121.438 120.200 0.046 0.000 2.406 530 E HA 0.314 4.658 4.350 -0.011 0.000 0.204 530 E C -0.818 175.720 176.600 -0.104 0.000 0.820 530 E CA 0.196 56.642 56.400 0.077 0.000 1.136 530 E CB 0.843 30.740 29.700 0.329 0.000 1.129 530 E HN 0.510 nan 8.360 nan 0.000 0.530 531 F N 0.401 120.279 119.950 -0.120 0.000 2.631 531 F HA 0.496 5.016 4.527 -0.011 0.000 0.308 531 F C -0.704 175.013 175.800 -0.138 0.000 1.097 531 F CA -0.845 57.041 58.000 -0.191 0.000 0.952 531 F CB 2.274 41.015 39.000 -0.432 0.000 1.307 531 F HN -0.174 nan 8.300 nan 0.000 0.450 532 M N 1.815 121.500 119.600 0.142 0.000 2.591 532 M HA 0.452 4.925 4.480 -0.011 0.000 0.306 532 M C -1.459 175.051 176.300 0.349 0.000 1.190 532 M CA -0.760 54.639 55.300 0.166 0.000 0.889 532 M CB 1.625 34.268 32.600 0.072 0.000 1.728 532 M HN 0.474 nan 8.290 nan 0.000 0.458 533 D N 2.518 123.098 120.400 0.299 0.000 2.424 533 D HA 0.044 4.678 4.640 -0.011 0.000 0.244 533 D C 1.021 177.323 176.300 0.004 0.000 1.134 533 D CA -0.013 54.103 54.000 0.193 0.000 0.881 533 D CB 1.374 42.248 40.800 0.123 0.000 1.191 533 D HN 0.387 nan 8.370 nan 0.000 0.445 534 V N 1.258 121.063 119.914 -0.183 0.000 2.358 534 V HA -0.103 4.010 4.120 -0.011 0.000 0.246 534 V C 1.165 177.118 176.094 -0.235 0.000 1.047 534 V CA 1.491 63.644 62.300 -0.244 0.000 1.035 534 V CB -0.046 31.498 31.823 -0.465 0.000 0.658 534 V HN 0.682 nan 8.190 nan 0.000 0.452 535 S N -2.904 112.619 115.700 -0.296 0.000 2.558 535 S HA 0.350 4.814 4.470 -0.011 0.000 0.277 535 S C -2.528 171.985 174.600 -0.145 0.000 1.143 535 S CA -0.670 57.431 58.200 -0.165 0.000 0.865 535 S CB 1.734 64.852 63.200 -0.137 0.000 1.102 535 S HN -0.043 nan 8.310 nan 0.000 0.454 536 P HA -0.175 nan 4.420 nan 0.000 0.214 536 P C 1.057 178.354 177.300 -0.006 0.000 1.169 536 P CA 1.889 64.960 63.100 -0.049 0.000 0.908 536 P CB -0.012 31.724 31.700 0.060 0.000 0.791 537 K N -0.050 120.436 120.400 0.144 0.000 2.169 537 K HA -0.320 3.993 4.320 -0.011 0.000 0.213 537 K C 2.168 178.903 176.600 0.226 0.000 1.050 537 K CA 2.247 58.690 56.287 0.260 0.000 0.935 537 K CB -0.942 31.761 32.500 0.339 0.000 0.722 537 K HN 0.473 nan 8.250 nan 0.000 0.468 538 Q N 0.846 120.715 119.800 0.115 0.000 2.308 538 Q HA -0.161 4.173 4.340 -0.011 0.000 0.209 538 Q C 1.926 177.801 176.000 -0.209 0.000 0.985 538 Q CA 1.802 57.619 55.803 0.023 0.000 0.881 538 Q CB -0.481 28.037 28.738 -0.367 0.000 0.917 538 Q HN 0.184 nan 8.270 nan 0.000 0.443 539 V N 0.316 119.981 119.914 -0.414 0.000 2.283 539 V HA -0.089 4.025 4.120 -0.011 0.000 0.243 539 V C 1.043 176.782 176.094 -0.591 0.000 1.039 539 V CA 1.202 63.059 62.300 -0.738 0.000 1.016 539 V CB -0.517 30.551 31.823 -1.257 0.000 0.650 539 V HN 0.211 nan 8.190 nan 0.000 0.449 540 F N -0.126 119.778 119.950 -0.077 0.000 2.380 540 F HA 0.492 5.012 4.527 -0.011 0.000 0.321 540 F C 0.946 176.740 175.800 -0.009 0.000 1.103 540 F CA -0.400 57.587 58.000 -0.021 0.000 1.067 540 F CB 0.525 39.532 39.000 0.013 0.000 1.265 540 F HN -0.104 nan 8.300 nan 0.000 0.517 541 S N 0.385 116.216 115.700 0.219 0.000 2.580 541 S HA 0.141 4.605 4.470 -0.011 0.000 0.266 541 S C 1.319 175.987 174.600 0.113 0.000 1.354 541 S CA -0.362 57.907 58.200 0.115 0.000 1.008 541 S CB 0.743 63.995 63.200 0.087 0.000 0.898 541 S HN 0.650 nan 8.310 nan 0.000 0.555 542 V N 2.298 122.247 119.914 0.060 0.000 2.215 542 V HA -0.224 3.890 4.120 -0.011 0.000 0.246 542 V C 2.368 178.482 176.094 0.035 0.000 1.047 542 V CA 2.142 64.465 62.300 0.037 0.000 0.999 542 V CB -1.793 30.039 31.823 0.015 0.000 0.635 542 V HN 0.977 nan 8.190 nan 0.000 0.450 543 N N 0.763 119.481 118.700 0.030 0.000 2.205 543 N HA -0.201 4.532 4.740 -0.011 0.000 0.186 543 N C 1.684 177.198 175.510 0.006 0.000 1.015 543 N CA 2.343 55.405 53.050 0.020 0.000 0.862 543 N CB -1.580 36.924 38.487 0.027 0.000 0.986 543 N HN 0.630 nan 8.380 nan 0.000 0.429 544 T N 1.579 116.147 114.554 0.023 0.000 2.720 544 T HA -0.098 4.245 4.350 -0.011 0.000 0.268 544 T C 1.601 176.257 174.700 -0.072 0.000 1.037 544 T CA 1.242 63.336 62.100 -0.010 0.000 1.144 544 T CB -0.280 68.626 68.868 0.063 0.000 0.864 544 T HN 0.370 nan 8.240 nan 0.000 0.444 545 N N 1.323 120.015 118.700 -0.013 0.000 2.205 545 N HA -0.015 4.719 4.740 -0.011 0.000 0.186 545 N C 1.757 177.243 175.510 -0.040 0.000 1.015 545 N CA 0.776 53.818 53.050 -0.015 0.000 0.862 545 N CB -0.399 38.126 38.487 0.064 0.000 0.986 545 N HN 0.404 nan 8.380 nan 0.000 0.429 546 L N 1.065 122.265 121.223 -0.039 0.000 2.551 546 L HA -0.032 4.301 4.340 -0.011 0.000 0.230 546 L C 0.661 177.467 176.870 -0.107 0.000 1.163 546 L CA 0.462 55.266 54.840 -0.059 0.000 0.826 546 L CB -0.412 41.625 42.059 -0.038 0.000 0.943 546 L HN 0.059 nan 8.230 nan 0.000 0.452 547 I N 2.180 122.672 120.570 -0.131 0.000 2.352 547 I HA 0.158 4.322 4.170 -0.011 0.000 0.290 547 I C -1.900 174.107 176.117 -0.185 0.000 1.036 547 I CA -1.878 59.300 61.300 -0.204 0.000 1.336 547 I CB 0.814 38.671 38.000 -0.239 0.000 1.407 547 I HN -0.193 nan 8.210 nan 0.000 0.497 548 P HA 0.112 nan 4.420 nan 0.000 0.279 548 P C -0.350 176.885 177.300 -0.108 0.000 1.239 548 P CA -0.108 62.810 63.100 -0.304 0.000 0.789 548 P CB 0.588 32.021 31.700 -0.445 0.000 0.933 549 F N -0.906 119.089 119.950 0.075 0.000 3.090 549 F HA -0.187 4.334 4.527 -0.011 0.000 0.282 549 F C 1.451 177.286 175.800 0.057 0.000 0.923 549 F CA 0.032 58.113 58.000 0.135 0.000 0.977 549 F CB -2.710 36.405 39.000 0.191 0.000 0.954 549 F HN 0.166 nan 8.300 nan 0.000 0.695 550 L N 2.106 123.360 121.223 0.050 0.000 2.043 550 L HA -0.198 4.135 4.340 -0.011 0.000 0.212 550 L C 2.524 179.268 176.870 -0.211 0.000 1.075 550 L CA 2.644 57.437 54.840 -0.078 0.000 0.752 550 L CB -0.662 41.305 42.059 -0.154 0.000 0.891 550 L HN 0.410 nan 8.230 nan 0.000 0.432 551 E N -1.738 118.100 120.200 -0.603 0.000 2.526 551 E HA -0.245 4.098 4.350 -0.011 0.000 0.205 551 E C 0.838 177.072 176.600 -0.610 0.000 1.104 551 E CA 1.179 56.990 56.400 -0.982 0.000 0.899 551 E CB -0.697 28.137 29.700 -1.443 0.000 0.838 551 E HN 0.698 nan 8.360 nan 0.000 0.564 552 H N 0.048 119.038 119.070 -0.133 0.000 3.046 552 H HA 0.245 4.794 4.556 -0.011 0.000 0.262 552 H C -0.378 174.946 175.328 -0.007 0.000 1.044 552 H CA -0.037 55.972 56.048 -0.065 0.000 1.209 552 H CB 0.749 30.474 29.762 -0.061 0.000 1.507 552 H HN 0.222 nan 8.280 nan 0.000 0.507 553 D N 0.650 121.125 120.400 0.125 0.000 2.299 553 D HA 0.131 4.764 4.640 -0.011 0.000 0.243 553 D C -0.386 175.958 176.300 0.074 0.000 0.982 553 D CA -0.657 53.411 54.000 0.114 0.000 0.924 553 D CB 1.689 42.587 40.800 0.163 0.000 1.238 553 D HN 0.002 nan 8.370 nan 0.000 0.484 554 D N -0.026 120.415 120.400 0.069 0.000 2.389 554 D HA 0.285 4.919 4.640 -0.011 0.000 0.247 554 D C 0.964 177.307 176.300 0.072 0.000 1.128 554 D CA -0.354 53.685 54.000 0.066 0.000 0.884 554 D CB 1.294 42.127 40.800 0.055 0.000 1.194 554 D HN 0.359 nan 8.370 nan 0.000 0.441 555 A N 4.654 127.527 122.820 0.088 0.000 1.915 555 A HA -0.329 3.985 4.320 -0.011 0.000 0.220 555 A C 1.999 179.628 177.584 0.075 0.000 1.198 555 A CA 1.764 53.861 52.037 0.099 0.000 0.647 555 A CB -0.738 18.338 19.000 0.128 0.000 0.825 555 A HN 0.802 nan 8.150 nan 0.000 0.456 556 N N -0.713 118.025 118.700 0.064 0.000 2.011 556 N HA -0.229 4.504 4.740 -0.011 0.000 0.199 556 N C 1.930 177.467 175.510 0.045 0.000 1.047 556 N CA 1.950 55.030 53.050 0.050 0.000 0.863 556 N CB -0.371 38.142 38.487 0.042 0.000 1.056 556 N HN 0.410 nan 8.380 nan 0.000 0.427 557 R N 1.152 121.680 120.500 0.046 0.000 2.152 557 R HA 0.032 4.366 4.340 -0.011 0.000 0.232 557 R C 2.063 178.390 176.300 0.044 0.000 1.117 557 R CA 1.252 57.380 56.100 0.045 0.000 0.981 557 R CB -0.706 29.625 30.300 0.053 0.000 0.870 557 R HN 0.295 nan 8.270 nan 0.000 0.451 558 A N 0.423 123.269 122.820 0.044 0.000 1.902 558 A HA -0.158 4.156 4.320 -0.011 0.000 0.217 558 A C 1.979 179.576 177.584 0.021 0.000 1.181 558 A CA 1.477 53.528 52.037 0.023 0.000 0.623 558 A CB -0.759 18.256 19.000 0.025 0.000 0.818 558 A HN 0.357 nan 8.150 nan 0.000 0.443 559 L N -0.139 121.107 121.223 0.039 0.000 2.021 559 L HA -0.263 4.071 4.340 -0.011 0.000 0.215 559 L C 2.476 179.363 176.870 0.028 0.000 1.074 559 L CA 2.621 57.484 54.840 0.039 0.000 0.760 559 L CB -0.601 41.483 42.059 0.042 0.000 0.889 559 L HN 0.499 nan 8.230 nan 0.000 0.433 560 M N -0.790 118.826 119.600 0.027 0.000 2.073 560 M HA -0.196 4.277 4.480 -0.011 0.000 0.258 560 M C 2.227 178.541 176.300 0.023 0.000 1.070 560 M CA 1.966 57.282 55.300 0.026 0.000 1.103 560 M CB -1.547 31.070 32.600 0.029 0.000 1.321 560 M HN 0.521 nan 8.290 nan 0.000 0.405 561 G N 0.144 108.952 108.800 0.014 0.000 2.628 561 G HA2 -0.278 3.675 3.960 -0.011 0.000 0.217 561 G HA3 -0.278 3.675 3.960 -0.011 0.000 0.217 561 G C 1.543 176.447 174.900 0.007 0.000 1.240 561 G CA 1.536 46.637 45.100 0.000 0.000 0.792 561 G HN 0.462 nan 8.290 nan 0.000 0.593 562 S N 1.335 117.036 115.700 0.002 0.000 2.389 562 S HA -0.267 4.197 4.470 -0.011 0.000 0.229 562 S C 2.304 176.918 174.600 0.023 0.000 1.048 562 S CA 1.818 60.026 58.200 0.013 0.000 1.117 562 S CB -0.614 62.598 63.200 0.020 0.000 1.020 562 S HN 0.507 nan 8.310 nan 0.000 0.430 563 N N 1.038 119.752 118.700 0.023 0.000 2.021 563 N HA -0.119 4.615 4.740 -0.011 0.000 0.198 563 N C 1.752 177.280 175.510 0.030 0.000 1.041 563 N CA 1.653 54.716 53.050 0.023 0.000 0.862 563 N CB -0.438 38.060 38.487 0.020 0.000 1.048 563 N HN 0.360 nan 8.380 nan 0.000 0.427 564 M N 0.441 120.061 119.600 0.034 0.000 2.082 564 M HA -0.251 4.223 4.480 -0.011 0.000 0.258 564 M C 2.053 178.385 176.300 0.053 0.000 1.069 564 M CA 1.581 56.907 55.300 0.043 0.000 1.102 564 M CB -0.301 32.324 32.600 0.041 0.000 1.336 564 M HN 0.243 nan 8.290 nan 0.000 0.404 565 Q N -0.773 119.060 119.800 0.055 0.000 2.197 565 Q HA -0.179 4.154 4.340 -0.011 0.000 0.207 565 Q C 1.811 177.851 176.000 0.067 0.000 0.984 565 Q CA 2.036 57.882 55.803 0.073 0.000 0.869 565 Q CB -0.307 28.472 28.738 0.068 0.000 0.906 565 Q HN 0.594 nan 8.270 nan 0.000 0.426 566 T N 0.367 114.952 114.554 0.052 0.000 2.951 566 T HA -0.119 4.224 4.350 -0.011 0.000 0.268 566 T C 1.245 175.973 174.700 0.047 0.000 1.073 566 T CA 0.933 63.061 62.100 0.047 0.000 1.134 566 T CB -0.042 68.848 68.868 0.036 0.000 0.884 566 T HN 0.334 nan 8.240 nan 0.000 0.479 567 Q N 0.703 120.536 119.800 0.056 0.000 2.320 567 Q HA 0.451 4.784 4.340 -0.011 0.000 0.201 567 Q C 0.586 176.649 176.000 0.105 0.000 0.910 567 Q CA -0.399 55.449 55.803 0.076 0.000 0.946 567 Q CB 0.170 28.958 28.738 0.083 0.000 1.062 567 Q HN 0.469 nan 8.270 nan 0.000 0.503 568 A N 0.904 123.776 122.820 0.088 0.000 2.401 568 A HA 0.368 4.682 4.320 -0.011 0.000 0.259 568 A C -0.396 177.247 177.584 0.099 0.000 1.103 568 A CA -0.310 51.780 52.037 0.089 0.000 0.789 568 A CB 0.789 19.839 19.000 0.084 0.000 1.035 568 A HN 0.168 nan 8.150 nan 0.000 0.491 569 V N 4.199 124.174 119.914 0.101 0.000 2.483 569 V HA 0.529 4.642 4.120 -0.011 0.000 0.295 569 V C -2.422 173.705 176.094 0.056 0.000 1.035 569 V CA -2.284 60.080 62.300 0.106 0.000 0.896 569 V CB 1.659 33.564 31.823 0.137 0.000 0.986 569 V HN 0.786 nan 8.190 nan 0.000 0.447 570 P HA 0.185 nan 4.420 nan 0.000 0.263 570 P C -0.391 176.888 177.300 -0.036 0.000 1.247 570 P CA 0.359 63.460 63.100 0.001 0.000 0.876 570 P CB 0.009 31.712 31.700 0.006 0.000 0.928 571 L N 3.573 124.746 121.223 -0.084 0.000 2.439 571 L HA 0.253 4.586 4.340 -0.011 0.000 0.261 571 L C 2.265 179.055 176.870 -0.133 0.000 1.153 571 L CA -0.500 54.261 54.840 -0.131 0.000 0.808 571 L CB 0.676 42.580 42.059 -0.258 0.000 1.126 571 L HN 0.354 nan 8.230 nan 0.000 0.460 572 I N -0.837 119.656 120.570 -0.128 0.000 2.202 572 I HA -0.130 4.033 4.170 -0.011 0.000 0.242 572 I C 1.051 177.089 176.117 -0.131 0.000 1.091 572 I CA 1.148 62.377 61.300 -0.118 0.000 1.368 572 I CB -0.336 37.610 38.000 -0.089 0.000 1.058 572 I HN 0.557 nan 8.210 nan 0.000 0.410 573 R N 2.752 123.144 120.500 -0.181 0.000 4.390 573 R HA 0.497 4.831 4.340 -0.011 0.000 0.229 573 R C 0.115 176.218 176.300 -0.328 0.000 1.674 573 R CA -0.190 55.767 56.100 -0.238 0.000 1.526 573 R CB 0.023 30.148 30.300 -0.291 0.000 1.418 573 R HN 0.393 nan 8.270 nan 0.000 0.790 574 A N 1.848 124.543 122.820 -0.207 0.000 2.555 574 A HA 0.004 4.317 4.320 -0.011 0.000 0.233 574 A C 0.087 177.580 177.584 -0.153 0.000 1.060 574 A CA 0.534 52.473 52.037 -0.163 0.000 0.759 574 A CB 0.390 19.342 19.000 -0.080 0.000 0.995 574 A HN 0.568 nan 8.150 nan 0.000 0.506 575 Q N -0.337 119.413 119.800 -0.083 0.000 2.320 575 Q HA 0.537 4.870 4.340 -0.011 0.000 0.272 575 Q C -0.825 175.279 176.000 0.173 0.000 1.023 575 Q CA -0.564 55.234 55.803 -0.009 0.000 0.855 575 Q CB 2.286 30.973 28.738 -0.085 0.000 1.367 575 Q HN 1.051 nan 8.270 nan 0.000 0.406 576 A N 2.770 125.636 122.820 0.076 0.000 2.293 576 A HA 0.764 5.077 4.320 -0.011 0.000 0.302 576 A C -2.448 175.060 177.584 -0.128 0.000 1.119 576 A CA -1.518 50.500 52.037 -0.032 0.000 0.823 576 A CB 0.149 19.104 19.000 -0.074 0.000 1.097 576 A HN 0.340 nan 8.150 nan 0.000 0.491 577 P HA 0.038 nan 4.420 nan 0.000 0.267 577 P C 1.094 178.303 177.300 -0.151 0.000 1.201 577 P CA 0.155 62.995 63.100 -0.433 0.000 0.775 577 P CB 0.372 31.601 31.700 -0.784 0.000 0.854 578 V N 1.029 120.942 119.914 -0.002 0.000 3.444 578 V HA 0.055 4.169 4.120 -0.011 0.000 0.271 578 V C 0.628 176.733 176.094 0.020 0.000 1.188 578 V CA 0.750 63.058 62.300 0.013 0.000 1.168 578 V CB -0.556 31.337 31.823 0.117 0.000 0.810 578 V HN 0.372 nan 8.190 nan 0.000 0.500 579 V N 0.688 120.585 119.914 -0.028 0.000 2.752 579 V HA 0.757 4.870 4.120 -0.011 0.000 0.302 579 V C -1.137 174.869 176.094 -0.146 0.000 1.133 579 V CA -0.669 61.617 62.300 -0.023 0.000 0.919 579 V CB 2.155 33.980 31.823 0.004 0.000 1.026 579 V HN 0.399 nan 8.190 nan 0.000 0.429 580 M N 4.134 123.659 119.600 -0.124 0.000 2.572 580 M HA 0.480 4.953 4.480 -0.011 0.000 0.299 580 M C 1.184 177.429 176.300 -0.091 0.000 1.205 580 M CA 0.009 55.223 55.300 -0.143 0.000 0.876 580 M CB 2.453 34.975 32.600 -0.131 0.000 1.728 580 M HN 0.812 nan 8.290 nan 0.000 0.458 581 T N -2.261 112.240 114.554 -0.089 0.000 2.777 581 T HA 0.184 4.527 4.350 -0.011 0.000 0.266 581 T C 1.239 175.953 174.700 0.024 0.000 1.040 581 T CA 1.479 63.555 62.100 -0.040 0.000 1.141 581 T CB -0.210 68.635 68.868 -0.038 0.000 0.868 581 T HN 1.062 nan 8.240 nan 0.000 0.444 582 G N 0.191 109.008 108.800 0.029 0.000 2.977 582 G HA2 -0.064 3.890 3.960 -0.011 0.000 0.211 582 G HA3 -0.064 3.890 3.960 -0.011 0.000 0.211 582 G C 0.854 175.800 174.900 0.075 0.000 0.994 582 G CA 0.126 45.268 45.100 0.070 0.000 0.795 582 G HN 0.459 nan 8.290 nan 0.000 0.518 583 L N 1.583 122.836 121.223 0.049 0.000 2.131 583 L HA 0.086 4.419 4.340 -0.011 0.000 0.206 583 L C 2.859 179.758 176.870 0.048 0.000 1.087 583 L CA 1.421 56.283 54.840 0.036 0.000 0.767 583 L CB -0.510 41.559 42.059 0.015 0.000 0.917 583 L HN 0.259 nan 8.230 nan 0.000 0.441 584 E N 1.080 121.319 120.200 0.065 0.000 2.246 584 E HA -0.425 3.918 4.350 -0.011 0.000 0.232 584 E C 1.746 178.403 176.600 0.096 0.000 1.087 584 E CA 2.485 58.945 56.400 0.099 0.000 0.964 584 E CB -0.795 28.995 29.700 0.151 0.000 0.827 584 E HN 0.713 nan 8.360 nan 0.000 0.476 585 E N 0.906 121.182 120.200 0.127 0.000 2.031 585 E HA -0.228 4.115 4.350 -0.011 0.000 0.193 585 E C 2.318 178.864 176.600 -0.091 0.000 0.994 585 E CA 1.380 57.703 56.400 -0.128 0.000 0.800 585 E CB -0.054 29.603 29.700 -0.071 0.000 0.752 585 E HN 0.073 nan 8.360 nan 0.000 0.447 586 R N 0.694 121.177 120.500 -0.029 0.000 2.096 586 R HA -0.109 4.224 4.340 -0.011 0.000 0.235 586 R C 2.090 178.367 176.300 -0.039 0.000 1.127 586 R CA 1.594 57.669 56.100 -0.041 0.000 0.968 586 R CB -0.884 29.397 30.300 -0.032 0.000 0.861 586 R HN 0.172 nan 8.270 nan 0.000 0.440 587 V N 0.078 119.981 119.914 -0.018 0.000 2.215 587 V HA -0.319 3.795 4.120 -0.011 0.000 0.246 587 V C 2.401 178.498 176.094 0.004 0.000 1.047 587 V CA 2.229 64.525 62.300 -0.007 0.000 0.999 587 V CB -0.893 30.936 31.823 0.010 0.000 0.635 587 V HN 0.252 nan 8.190 nan 0.000 0.450 588 V N 0.122 120.047 119.914 0.018 0.000 2.357 588 V HA -0.385 3.728 4.120 -0.011 0.000 0.257 588 V C 2.591 178.756 176.094 0.119 0.000 1.082 588 V CA 2.460 64.793 62.300 0.054 0.000 1.078 588 V CB -1.091 30.753 31.823 0.035 0.000 0.663 588 V HN 0.469 nan 8.190 nan 0.000 0.455 589 R N 0.240 120.794 120.500 0.089 0.000 2.082 589 R HA -0.192 4.142 4.340 -0.011 0.000 0.234 589 R C 2.111 178.369 176.300 -0.071 0.000 1.136 589 R CA 2.244 58.310 56.100 -0.056 0.000 0.935 589 R CB -0.734 29.409 30.300 -0.261 0.000 0.842 589 R HN 0.580 nan 8.270 nan 0.000 0.430 590 D N 0.195 120.557 120.400 -0.063 0.000 2.144 590 D HA -0.127 4.506 4.640 -0.011 0.000 0.199 590 D C 1.991 178.279 176.300 -0.020 0.000 0.984 590 D CA 1.690 55.659 54.000 -0.051 0.000 0.834 590 D CB -0.204 40.566 40.800 -0.049 0.000 0.955 590 D HN 0.227 nan 8.370 nan 0.000 0.465 591 S N 0.443 116.143 115.700 0.001 0.000 2.419 591 S HA -0.120 4.343 4.470 -0.011 0.000 0.233 591 S C 1.206 175.816 174.600 0.015 0.000 1.016 591 S CA 0.341 58.547 58.200 0.011 0.000 0.974 591 S CB -0.380 62.833 63.200 0.021 0.000 0.786 591 S HN 0.384 nan 8.310 nan 0.000 0.492 592 L N -0.647 120.597 121.223 0.035 0.000 3.487 592 L HA -0.212 4.122 4.340 -0.011 0.000 0.450 592 L C 1.349 178.247 176.870 0.046 0.000 1.290 592 L CA 0.201 55.070 54.840 0.049 0.000 0.874 592 L CB -2.287 39.778 42.059 0.011 0.000 1.804 592 L HN 0.514 nan 8.230 nan 0.000 0.831 593 A N -0.710 122.143 122.820 0.055 0.000 1.887 593 A HA 0.586 4.899 4.320 -0.011 0.000 0.212 593 A C 1.221 178.797 177.584 -0.014 0.000 1.198 593 A CA 1.265 53.314 52.037 0.020 0.000 0.628 593 A CB 0.138 19.147 19.000 0.015 0.000 0.847 593 A HN 0.705 nan 8.150 nan 0.000 0.449 594 A N -0.842 121.948 122.820 -0.049 0.000 2.261 594 A HA 0.720 5.033 4.320 -0.011 0.000 0.323 594 A C -0.512 176.902 177.584 -0.283 0.000 1.107 594 A CA -0.569 51.342 52.037 -0.210 0.000 0.883 594 A CB 0.499 19.282 19.000 -0.362 0.000 1.251 594 A HN 0.351 nan 8.150 nan 0.000 0.502 595 L N 0.486 121.479 121.223 -0.382 0.000 2.317 595 L HA 0.530 4.863 4.340 -0.011 0.000 0.281 595 L C -1.258 175.353 176.870 -0.432 0.000 1.024 595 L CA -0.478 54.185 54.840 -0.296 0.000 0.810 595 L CB 0.904 42.820 42.059 -0.239 0.000 1.240 595 L HN 0.726 nan 8.230 nan 0.000 0.427 596 Y N 0.565 120.784 120.300 -0.135 0.000 2.621 596 Y HA 0.662 5.205 4.550 -0.011 0.000 0.334 596 Y C 0.358 176.222 175.900 -0.061 0.000 1.074 596 Y CA -1.252 56.797 58.100 -0.084 0.000 1.149 596 Y CB 1.458 39.879 38.460 -0.066 0.000 1.302 596 Y HN 0.559 nan 8.280 nan 0.000 0.501 597 A N 0.656 123.587 122.820 0.184 0.000 2.309 597 A HA 0.304 4.618 4.320 -0.011 0.000 0.290 597 A C 0.592 178.301 177.584 0.208 0.000 1.206 597 A CA -0.626 51.532 52.037 0.202 0.000 0.850 597 A CB -0.214 18.887 19.000 0.167 0.000 1.118 597 A HN 0.890 nan 8.150 nan 0.000 0.523 598 E N 1.402 121.756 120.200 0.256 0.000 2.494 598 E HA 0.188 4.532 4.350 -0.011 0.000 0.193 598 E C 0.126 176.812 176.600 0.144 0.000 1.074 598 E CA 0.364 56.854 56.400 0.150 0.000 0.867 598 E CB 0.122 29.877 29.700 0.091 0.000 0.924 598 E HN 0.626 nan 8.360 nan 0.000 0.502 599 E N 0.916 121.294 120.200 0.296 0.000 2.421 599 E HA 0.067 4.411 4.350 -0.011 0.000 0.276 599 E C -1.999 174.792 176.600 0.317 0.000 1.154 599 E CA -0.721 55.850 56.400 0.285 0.000 0.883 599 E CB 0.647 30.500 29.700 0.253 0.000 1.429 599 E HN 0.114 nan 8.360 nan 0.000 0.436 600 D N 0.296 120.833 120.400 0.229 0.000 2.229 600 D HA 0.692 5.326 4.640 -0.011 0.000 0.249 600 D C 0.531 176.871 176.300 0.067 0.000 1.027 600 D CA -0.365 53.709 54.000 0.122 0.000 0.923 600 D CB 1.724 42.572 40.800 0.080 0.000 1.174 600 D HN 0.630 nan 8.370 nan 0.000 0.443 601 G N -0.449 108.334 108.800 -0.028 0.000 2.335 601 G HA2 0.236 4.189 3.960 -0.011 0.000 0.291 601 G HA3 0.236 4.189 3.960 -0.011 0.000 0.291 601 G C -1.733 173.113 174.900 -0.090 0.000 1.261 601 G CA -0.754 44.289 45.100 -0.096 0.000 0.871 601 G HN 0.540 nan 8.290 nan 0.000 0.491 602 E N -0.452 119.683 120.200 -0.108 0.000 2.212 602 E HA 0.542 4.886 4.350 -0.011 0.000 0.270 602 E C -0.536 176.008 176.600 -0.094 0.000 0.956 602 E CA -0.661 55.693 56.400 -0.077 0.000 0.825 602 E CB 2.126 31.793 29.700 -0.056 0.000 1.167 602 E HN 0.245 nan 8.360 nan 0.000 0.400 603 V N 4.326 124.203 119.914 -0.062 0.000 2.403 603 V HA 0.037 4.150 4.120 -0.011 0.000 0.265 603 V C 1.081 177.142 176.094 -0.055 0.000 1.034 603 V CA 0.666 62.933 62.300 -0.055 0.000 1.036 603 V CB -0.129 31.675 31.823 -0.031 0.000 1.032 603 V HN 0.826 nan 8.190 nan 0.000 0.478 604 A N 6.492 129.269 122.820 -0.072 0.000 1.861 604 A HA 0.144 4.457 4.320 -0.011 0.000 0.214 604 A C 0.974 178.531 177.584 -0.043 0.000 1.322 604 A CA 0.873 52.872 52.037 -0.063 0.000 0.601 604 A CB 0.046 18.996 19.000 -0.084 0.000 0.966 604 A HN 0.654 nan 8.150 nan 0.000 0.471 605 K N -0.919 119.456 120.400 -0.041 0.000 2.318 605 K HA 0.528 4.841 4.320 -0.011 0.000 0.249 605 K C -1.192 175.399 176.600 -0.015 0.000 0.942 605 K CA -0.145 56.126 56.287 -0.026 0.000 0.808 605 K CB 2.351 34.835 32.500 -0.027 0.000 1.189 605 K HN 0.426 nan 8.250 nan 0.000 0.428 606 V N -1.401 118.509 119.914 -0.007 0.000 3.028 606 V HA 0.093 4.207 4.120 -0.011 0.000 0.418 606 V C -0.403 175.693 176.094 0.003 0.000 1.433 606 V CA -0.893 61.409 62.300 0.004 0.000 1.543 606 V CB -0.144 31.681 31.823 0.003 0.000 1.329 606 V HN 0.838 nan 8.190 nan 0.000 0.646 607 D N 1.754 122.153 120.400 -0.001 0.000 2.364 607 D HA 0.319 4.952 4.640 -0.011 0.000 0.236 607 D C 1.704 178.004 176.300 -0.000 0.000 1.221 607 D CA 1.176 55.173 54.000 -0.005 0.000 0.891 607 D CB 1.472 42.266 40.800 -0.011 0.000 1.190 607 D HN 0.230 nan 8.370 nan 0.000 0.449 608 G N 1.450 110.247 108.800 -0.005 0.000 2.475 608 G HA2 -0.317 3.636 3.960 -0.011 0.000 0.220 608 G HA3 -0.317 3.636 3.960 -0.011 0.000 0.220 608 G C 1.236 176.134 174.900 -0.003 0.000 1.125 608 G CA 0.548 45.647 45.100 -0.001 0.000 0.755 608 G HN 0.633 nan 8.290 nan 0.000 0.565 609 N N 0.383 119.073 118.700 -0.016 0.000 2.446 609 N HA 0.056 4.790 4.740 -0.011 0.000 0.179 609 N C 0.725 176.244 175.510 0.014 0.000 1.054 609 N CA 0.723 53.763 53.050 -0.016 0.000 0.905 609 N CB 0.301 38.768 38.487 -0.034 0.000 0.973 609 N HN 0.633 nan 8.380 nan 0.000 0.448 610 R N -1.061 119.452 120.500 0.021 0.000 2.765 610 R HA 0.539 4.872 4.340 -0.011 0.000 0.277 610 R C -1.644 174.682 176.300 0.044 0.000 1.028 610 R CA -0.632 55.494 56.100 0.043 0.000 0.860 610 R CB 0.812 31.133 30.300 0.036 0.000 1.270 610 R HN -0.197 nan 8.270 nan 0.000 0.484 611 I N 1.008 121.624 120.570 0.077 0.000 2.785 611 I HA 0.699 4.862 4.170 -0.011 0.000 0.302 611 I C -0.830 175.307 176.117 0.033 0.000 1.069 611 I CA -1.431 59.911 61.300 0.071 0.000 1.045 611 I CB 2.584 40.659 38.000 0.125 0.000 1.236 611 I HN 0.370 nan 8.210 nan 0.000 0.429 612 V N 4.624 124.521 119.914 -0.028 0.000 2.925 612 V HA 0.691 4.805 4.120 -0.011 0.000 0.311 612 V C -0.672 175.342 176.094 -0.134 0.000 1.104 612 V CA -0.758 61.469 62.300 -0.122 0.000 0.954 612 V CB 2.322 34.087 31.823 -0.097 0.000 1.022 612 V HN 0.562 nan 8.190 nan 0.000 0.427 613 V N 0.630 120.407 119.914 -0.228 0.000 3.049 613 V HA 0.744 4.857 4.120 -0.011 0.000 0.309 613 V C -0.803 175.085 176.094 -0.344 0.000 1.148 613 V CA -0.963 61.173 62.300 -0.273 0.000 0.990 613 V CB 2.127 33.746 31.823 -0.341 0.000 1.039 613 V HN 0.970 nan 8.190 nan 0.000 0.430 614 R N 1.687 122.000 120.500 -0.312 0.000 2.393 614 R HA 0.570 4.903 4.340 -0.011 0.000 0.310 614 R C -1.680 174.415 176.300 -0.342 0.000 0.968 614 R CA -0.545 55.419 56.100 -0.228 0.000 0.867 614 R CB 1.401 31.636 30.300 -0.107 0.000 1.124 614 R HN 0.870 nan 8.270 nan 0.000 0.450 615 Y N 1.878 122.171 120.300 -0.012 0.000 2.335 615 Y HA 0.027 4.570 4.550 -0.011 0.000 0.323 615 Y C 1.510 177.411 175.900 0.002 0.000 1.224 615 Y CA -0.137 57.965 58.100 0.003 0.000 1.241 615 Y CB 1.452 39.915 38.460 0.005 0.000 1.235 615 Y HN 0.738 nan 8.280 nan 0.000 0.492 616 E N -0.044 120.251 120.200 0.158 0.000 2.170 616 E HA -0.399 3.945 4.350 -0.011 0.000 0.229 616 E C 1.377 178.024 176.600 0.079 0.000 1.074 616 E CA 2.193 58.648 56.400 0.091 0.000 0.930 616 E CB -0.558 29.196 29.700 0.091 0.000 0.806 616 E HN 0.816 nan 8.360 nan 0.000 0.478 617 D N 0.656 121.113 120.400 0.094 0.000 2.133 617 D HA -0.151 4.482 4.640 -0.011 0.000 0.195 617 D C 1.309 177.645 176.300 0.059 0.000 0.997 617 D CA 1.539 55.577 54.000 0.063 0.000 0.840 617 D CB -0.416 40.416 40.800 0.053 0.000 0.947 617 D HN 0.585 nan 8.370 nan 0.000 0.452 618 G N 0.433 109.285 108.800 0.087 0.000 2.678 618 G HA2 -0.086 3.867 3.960 -0.011 0.000 0.175 618 G HA3 -0.086 3.867 3.960 -0.011 0.000 0.175 618 G C -0.517 174.428 174.900 0.076 0.000 1.078 618 G CA -0.579 44.557 45.100 0.061 0.000 0.864 618 G HN 0.324 nan 8.290 nan 0.000 0.521 619 R N -0.181 120.408 120.500 0.149 0.000 2.562 619 R HA 0.647 4.980 4.340 -0.011 0.000 0.298 619 R C 0.066 176.458 176.300 0.153 0.000 0.961 619 R CA -0.806 55.392 56.100 0.162 0.000 0.881 619 R CB 1.529 31.953 30.300 0.207 0.000 1.159 619 R HN 0.218 nan 8.270 nan 0.000 0.450 620 L N 4.061 125.318 121.223 0.056 0.000 2.297 620 L HA 0.376 4.709 4.340 -0.011 0.000 0.277 620 L C -0.718 176.126 176.870 -0.044 0.000 1.040 620 L CA -0.790 54.040 54.840 -0.017 0.000 0.867 620 L CB 1.312 43.350 42.059 -0.034 0.000 1.244 620 L HN 0.287 nan 8.230 nan 0.000 0.433 621 V N 2.627 122.491 119.914 -0.083 0.000 2.333 621 V HA 0.184 4.297 4.120 -0.011 0.000 0.274 621 V C 0.431 176.237 176.094 -0.480 0.000 1.028 621 V CA -0.574 61.589 62.300 -0.229 0.000 0.851 621 V CB 1.495 33.206 31.823 -0.186 0.000 1.000 621 V HN 0.640 nan 8.190 nan 0.000 0.456 622 E N 4.942 124.963 120.200 -0.298 0.000 2.259 622 E HA 0.210 4.553 4.350 -0.011 0.000 0.281 622 E C -1.528 174.957 176.600 -0.191 0.000 1.027 622 E CA -0.423 55.848 56.400 -0.215 0.000 0.838 622 E CB 0.778 30.427 29.700 -0.085 0.000 1.066 622 E HN 0.677 nan 8.360 nan 0.000 0.401 623 Y N 5.019 125.336 120.300 0.028 0.000 2.491 623 Y HA 0.269 4.812 4.550 -0.011 0.000 0.334 623 Y C -1.924 173.990 175.900 0.024 0.000 0.969 623 Y CA -2.643 55.475 58.100 0.031 0.000 1.241 623 Y CB 1.396 39.876 38.460 0.034 0.000 1.105 623 Y HN 0.410 nan 8.280 nan 0.000 0.503 624 P HA -0.084 nan 4.420 nan 0.000 0.262 624 P C -0.762 176.605 177.300 0.112 0.000 1.199 624 P CA 0.034 63.201 63.100 0.112 0.000 0.763 624 P CB 0.559 32.311 31.700 0.086 0.000 0.790 625 L N 4.922 126.203 121.223 0.097 0.000 2.259 625 L HA 0.288 4.622 4.340 -0.011 0.000 0.288 625 L C 0.553 177.496 176.870 0.120 0.000 1.051 625 L CA -0.651 54.244 54.840 0.090 0.000 0.824 625 L CB 0.046 42.148 42.059 0.071 0.000 1.206 625 L HN 0.244 nan 8.230 nan 0.000 0.429 626 R N 5.667 126.256 120.500 0.148 0.000 2.513 626 R HA 0.059 4.393 4.340 -0.011 0.000 0.333 626 R C 0.294 176.751 176.300 0.261 0.000 0.925 626 R CA 0.050 56.319 56.100 0.282 0.000 1.072 626 R CB 0.221 30.660 30.300 0.232 0.000 0.914 626 R HN 0.838 nan 8.270 nan 0.000 0.408 627 R N 3.933 124.535 120.500 0.170 0.000 2.696 627 R HA 0.183 4.516 4.340 -0.011 0.000 0.218 627 R C -0.341 175.931 176.300 -0.046 0.000 1.202 627 R CA -0.860 55.244 56.100 0.008 0.000 1.043 627 R CB -0.099 30.076 30.300 -0.208 0.000 1.292 627 R HN 0.241 nan 8.270 nan 0.000 0.521 628 F N 0.816 120.544 119.950 -0.370 0.000 2.549 628 F HA 0.046 4.567 4.527 -0.011 0.000 0.400 628 F C -0.217 175.270 175.800 -0.522 0.000 1.011 628 F CA 0.165 57.978 58.000 -0.310 0.000 1.148 628 F CB -1.126 37.733 39.000 -0.234 0.000 0.993 628 F HN 0.259 nan 8.300 nan 0.000 0.540 629 Y N 1.121 121.512 120.300 0.152 0.000 2.534 629 Y HA 0.398 4.942 4.550 -0.011 0.000 0.345 629 Y C 0.287 176.228 175.900 0.069 0.000 1.031 629 Y CA -1.629 56.527 58.100 0.093 0.000 1.022 629 Y CB 1.784 40.281 38.460 0.061 0.000 1.292 629 Y HN 0.414 nan 8.280 nan 0.000 0.459 630 R N 1.237 121.912 120.500 0.293 0.000 2.694 630 R HA 0.321 4.655 4.340 -0.011 0.000 0.268 630 R C -0.189 176.185 176.300 0.122 0.000 1.061 630 R CA 0.148 56.347 56.100 0.165 0.000 1.133 630 R CB 0.771 31.186 30.300 0.191 0.000 1.020 630 R HN 0.618 nan 8.270 nan 0.000 0.475 631 S N 1.238 116.985 115.700 0.078 0.000 2.651 631 S HA 0.178 4.641 4.470 -0.011 0.000 0.291 631 S C 0.753 175.388 174.600 0.058 0.000 1.141 631 S CA -0.769 57.472 58.200 0.070 0.000 1.027 631 S CB 1.511 64.758 63.200 0.079 0.000 1.043 631 S HN 0.783 nan 8.310 nan 0.000 0.530 632 N N 1.369 120.096 118.700 0.044 0.000 2.061 632 N HA -0.133 4.601 4.740 -0.011 0.000 0.193 632 N C 1.062 176.576 175.510 0.008 0.000 1.030 632 N CA 1.785 54.858 53.050 0.037 0.000 0.856 632 N CB -0.188 38.331 38.487 0.054 0.000 1.023 632 N HN 0.553 nan 8.380 nan 0.000 0.424 633 Q N -0.913 118.890 119.800 0.005 0.000 2.329 633 Q HA 0.315 4.648 4.340 -0.011 0.000 0.208 633 Q C 1.141 177.306 176.000 0.275 0.000 0.934 633 Q CA 0.555 56.363 55.803 0.008 0.000 0.951 633 Q CB -0.008 28.584 28.738 -0.244 0.000 1.017 633 Q HN 0.408 nan 8.270 nan 0.000 0.490 634 G N -0.004 108.906 108.800 0.184 0.000 2.245 634 G HA2 -0.370 3.583 3.960 -0.011 0.000 0.264 634 G HA3 -0.370 3.583 3.960 -0.011 0.000 0.264 634 G C 0.627 175.540 174.900 0.022 0.000 0.985 634 G CA 0.574 45.733 45.100 0.097 0.000 0.625 634 G HN 0.573 nan 8.290 nan 0.000 0.536 635 T N -0.602 114.103 114.554 0.251 0.000 2.788 635 T HA 0.518 4.861 4.350 -0.011 0.000 0.333 635 T C 0.786 175.537 174.700 0.084 0.000 1.090 635 T CA 0.741 62.975 62.100 0.224 0.000 1.094 635 T CB 1.304 70.289 68.868 0.196 0.000 0.999 635 T HN 1.872 nan 8.240 nan 0.000 0.549 636 A N 2.051 124.902 122.820 0.052 0.000 2.354 636 A HA 0.626 4.939 4.320 -0.011 0.000 0.269 636 A C 0.139 177.733 177.584 0.016 0.000 1.109 636 A CA -0.917 51.121 52.037 0.001 0.000 0.800 636 A CB -0.072 18.877 19.000 -0.086 0.000 1.045 636 A HN 0.881 nan 8.150 nan 0.000 0.489 637 L N 3.806 125.057 121.223 0.046 0.000 2.454 637 L HA 0.404 4.737 4.340 -0.011 0.000 0.258 637 L C -1.146 175.774 176.870 0.083 0.000 1.025 637 L CA -0.607 54.271 54.840 0.064 0.000 0.901 637 L CB 1.063 43.180 42.059 0.096 0.000 1.210 637 L HN 0.856 nan 8.230 nan 0.000 0.457 638 D N 1.538 121.952 120.400 0.022 0.000 2.732 638 D HA 0.400 5.033 4.640 -0.011 0.000 0.229 638 D C -0.963 175.350 176.300 0.021 0.000 1.152 638 D CA -0.626 53.401 54.000 0.044 0.000 0.854 638 D CB 1.939 42.730 40.800 -0.013 0.000 1.590 638 D HN 0.328 nan 8.370 nan 0.000 0.468 639 Q N 0.718 120.546 119.800 0.046 0.000 2.266 639 Q HA 0.650 4.984 4.340 -0.011 0.000 0.261 639 Q C -0.428 175.584 176.000 0.020 0.000 0.985 639 Q CA -0.726 55.084 55.803 0.012 0.000 0.873 639 Q CB 2.478 31.219 28.738 0.004 0.000 1.306 639 Q HN 0.260 nan 8.270 nan 0.000 0.447 640 R N 1.846 122.342 120.500 -0.007 0.000 2.513 640 R HA 0.435 4.769 4.340 -0.011 0.000 0.301 640 R C -2.718 173.573 176.300 -0.015 0.000 0.968 640 R CA -2.265 53.837 56.100 0.003 0.000 0.872 640 R CB 1.402 31.701 30.300 -0.002 0.000 1.177 640 R HN 0.369 nan 8.270 nan 0.000 0.444 641 P HA 0.052 nan 4.420 nan 0.000 0.268 641 P C -0.004 177.286 177.300 -0.017 0.000 1.205 641 P CA -0.181 62.912 63.100 -0.013 0.000 0.771 641 P CB 0.740 32.442 31.700 0.003 0.000 0.858 642 R N 1.293 121.777 120.500 -0.027 0.000 2.531 642 R HA 0.245 4.578 4.340 -0.011 0.000 0.316 642 R C 0.155 176.445 176.300 -0.016 0.000 0.955 642 R CA -0.146 55.941 56.100 -0.022 0.000 1.120 642 R CB -0.017 30.263 30.300 -0.032 0.000 1.361 642 R HN 0.338 nan 8.270 nan 0.000 0.534 643 V N 1.147 121.052 119.914 -0.016 0.000 2.975 643 V HA 0.702 4.815 4.120 -0.011 0.000 0.318 643 V C -0.394 175.696 176.094 -0.007 0.000 1.077 643 V CA -0.815 61.478 62.300 -0.011 0.000 1.000 643 V CB 2.136 33.952 31.823 -0.012 0.000 1.066 643 V HN -0.026 nan 8.190 nan 0.000 0.452 644 V N 3.580 123.489 119.914 -0.007 0.000 3.074 644 V HA 0.797 4.910 4.120 -0.011 0.000 0.314 644 V C 0.037 176.124 176.094 -0.011 0.000 1.117 644 V CA -0.331 61.964 62.300 -0.007 0.000 1.014 644 V CB 1.537 33.357 31.823 -0.006 0.000 1.057 644 V HN 1.551 nan 8.190 nan 0.000 0.438 645 V N 0.810 120.716 119.914 -0.012 0.000 2.953 645 V HA 0.465 4.578 4.120 -0.011 0.000 0.304 645 V C 1.673 177.757 176.094 -0.017 0.000 1.138 645 V CA 0.917 63.207 62.300 -0.017 0.000 1.266 645 V CB -0.433 31.381 31.823 -0.016 0.000 0.923 645 V HN 2.783 nan 8.190 nan 0.000 0.505 646 G N 1.714 110.500 108.800 -0.023 0.000 2.257 646 G HA2 -0.372 3.582 3.960 -0.011 0.000 0.267 646 G HA3 -0.372 3.582 3.960 -0.011 0.000 0.267 646 G C 0.476 175.364 174.900 -0.019 0.000 0.984 646 G CA 0.848 45.935 45.100 -0.021 0.000 0.626 646 G HN 1.405 nan 8.290 nan 0.000 0.540 647 Q N 1.347 121.137 119.800 -0.018 0.000 2.289 647 Q HA 0.342 4.675 4.340 -0.011 0.000 0.273 647 Q C 1.096 177.084 176.000 -0.019 0.000 1.029 647 Q CA -0.356 55.439 55.803 -0.014 0.000 0.896 647 Q CB 0.295 29.026 28.738 -0.011 0.000 1.182 647 Q HN 0.726 nan 8.270 nan 0.000 0.385 648 R N 1.196 121.687 120.500 -0.014 0.000 2.500 648 R HA 0.665 4.999 4.340 -0.011 0.000 0.275 648 R C -1.015 175.281 176.300 -0.007 0.000 1.051 648 R CA -0.781 55.310 56.100 -0.016 0.000 1.088 648 R CB 1.119 31.413 30.300 -0.009 0.000 1.063 648 R HN 0.314 nan 8.270 nan 0.000 0.511 649 V N 2.034 121.945 119.914 -0.006 0.000 3.000 649 V HA 0.331 4.444 4.120 -0.011 0.000 0.300 649 V C -0.541 175.570 176.094 0.029 0.000 1.251 649 V CA -1.058 61.249 62.300 0.011 0.000 0.972 649 V CB 2.125 33.954 31.823 0.010 0.000 1.065 649 V HN 0.957 nan 8.190 nan 0.000 0.431 650 R N 3.148 123.675 120.500 0.044 0.000 2.606 650 R HA 0.535 4.869 4.340 -0.011 0.000 0.249 650 R C -0.026 176.325 176.300 0.085 0.000 1.127 650 R CA -0.791 55.346 56.100 0.063 0.000 1.133 650 R CB 0.856 31.187 30.300 0.051 0.000 1.243 650 R HN 0.663 nan 8.270 nan 0.000 0.558 651 K N -0.694 119.761 120.400 0.093 0.000 2.397 651 K HA 0.055 4.368 4.320 -0.011 0.000 0.265 651 K C 0.630 177.279 176.600 0.081 0.000 0.982 651 K CA 1.556 57.903 56.287 0.099 0.000 0.931 651 K CB -0.142 32.402 32.500 0.075 0.000 0.943 651 K HN 0.814 nan 8.250 nan 0.000 0.501 652 G N 2.072 110.924 108.800 0.087 0.000 2.189 652 G HA2 -0.279 3.675 3.960 -0.011 0.000 0.267 652 G HA3 -0.279 3.675 3.960 -0.011 0.000 0.267 652 G C -0.484 174.522 174.900 0.178 0.000 0.975 652 G CA 0.644 45.794 45.100 0.084 0.000 0.644 652 G HN 0.766 nan 8.290 nan 0.000 0.537 653 D N 0.219 120.706 120.400 0.145 0.000 2.350 653 D HA 0.499 5.133 4.640 -0.011 0.000 0.249 653 D C 0.798 177.141 176.300 0.071 0.000 1.119 653 D CA -0.535 53.528 54.000 0.105 0.000 0.886 653 D CB 1.261 42.099 40.800 0.063 0.000 1.195 653 D HN 0.306 nan 8.370 nan 0.000 0.437 654 L N 3.066 124.263 121.223 -0.044 0.000 2.474 654 L HA 0.212 4.545 4.340 -0.011 0.000 0.259 654 L C -0.184 176.588 176.870 -0.163 0.000 1.232 654 L CA 0.579 55.255 54.840 -0.273 0.000 0.821 654 L CB 0.350 42.212 42.059 -0.329 0.000 1.108 654 L HN 0.625 nan 8.230 nan 0.000 0.495 655 L N 1.307 122.406 121.223 -0.206 0.000 2.567 655 L HA 0.518 4.851 4.340 -0.011 0.000 0.228 655 L C 0.108 176.916 176.870 -0.104 0.000 1.046 655 L CA 0.215 54.991 54.840 -0.107 0.000 1.013 655 L CB -0.217 41.798 42.059 -0.073 0.000 1.944 655 L HN 0.660 nan 8.230 nan 0.000 0.510 656 A N 0.246 122.976 122.820 -0.149 0.000 2.375 656 A HA 0.473 4.786 4.320 -0.011 0.000 0.295 656 A C -1.377 176.124 177.584 -0.138 0.000 1.066 656 A CA -0.448 51.525 52.037 -0.106 0.000 0.722 656 A CB 0.875 19.839 19.000 -0.061 0.000 1.206 656 A HN 0.061 nan 8.150 nan 0.000 0.435 657 D N 2.454 122.791 120.400 -0.105 0.000 2.434 657 D HA 0.298 4.932 4.640 -0.011 0.000 0.252 657 D C 1.252 177.511 176.300 -0.069 0.000 1.185 657 D CA 1.236 55.177 54.000 -0.098 0.000 0.886 657 D CB 1.347 42.110 40.800 -0.062 0.000 1.148 657 D HN 0.715 nan 8.370 nan 0.000 0.483 658 G N 3.942 112.699 108.800 -0.070 0.000 2.518 658 G HA2 -0.025 3.929 3.960 -0.011 0.000 0.284 658 G HA3 -0.025 3.929 3.960 -0.011 0.000 0.284 658 G C -1.427 173.458 174.900 -0.025 0.000 1.362 658 G CA -0.562 44.517 45.100 -0.036 0.000 1.065 658 G HN 0.291 nan 8.290 nan 0.000 0.561 659 P HA -0.037 nan 4.420 nan 0.000 0.211 659 P C 1.128 178.414 177.300 -0.022 0.000 1.179 659 P CA 2.528 65.617 63.100 -0.020 0.000 0.910 659 P CB 0.104 31.803 31.700 -0.001 0.000 0.785 660 A N -0.952 121.867 122.820 -0.003 0.000 3.003 660 A HA 0.399 4.712 4.320 -0.011 0.000 0.301 660 A C 0.139 177.735 177.584 0.020 0.000 1.280 660 A CA -0.098 51.943 52.037 0.008 0.000 0.973 660 A CB -0.854 18.163 19.000 0.029 0.000 1.110 660 A HN 0.200 nan 8.150 nan 0.000 0.590 661 S N -0.430 115.272 115.700 0.002 0.000 2.473 661 S HA 0.636 5.100 4.470 -0.011 0.000 0.307 661 S C -0.734 173.873 174.600 0.011 0.000 1.094 661 S CA -0.642 57.563 58.200 0.008 0.000 1.070 661 S CB 1.718 64.900 63.200 -0.030 0.000 1.019 661 S HN 0.459 nan 8.310 nan 0.000 0.480 662 E N 2.244 122.481 120.200 0.061 0.000 2.191 662 E HA 0.320 4.663 4.350 -0.011 0.000 0.263 662 E C -0.334 176.364 176.600 0.163 0.000 0.881 662 E CA -0.575 55.868 56.400 0.072 0.000 0.757 662 E CB 0.427 30.164 29.700 0.061 0.000 1.147 662 E HN 0.744 nan 8.360 nan 0.000 0.414 663 N N 3.217 121.980 118.700 0.106 0.000 2.732 663 N HA -0.248 4.486 4.740 -0.011 0.000 0.250 663 N C 0.634 176.173 175.510 0.048 0.000 1.097 663 N CA 1.640 54.781 53.050 0.151 0.000 0.812 663 N CB -1.023 37.657 38.487 0.322 0.000 1.148 663 N HN 0.961 nan 8.380 nan 0.000 0.572 664 G N -1.859 106.909 108.800 -0.055 0.000 2.176 664 G HA2 -0.278 3.676 3.960 -0.011 0.000 0.232 664 G HA3 -0.278 3.676 3.960 -0.011 0.000 0.232 664 G C -0.110 174.580 174.900 -0.350 0.000 0.986 664 G CA 0.223 45.176 45.100 -0.245 0.000 0.643 664 G HN 0.318 nan 8.290 nan 0.000 0.522 665 F N -0.003 119.937 119.950 -0.017 0.000 2.450 665 F HA 0.702 5.222 4.527 -0.011 0.000 0.332 665 F C 0.594 176.382 175.800 -0.019 0.000 1.093 665 F CA -1.385 56.605 58.000 -0.017 0.000 1.003 665 F CB 1.412 40.393 39.000 -0.033 0.000 1.151 665 F HN 0.046 nan 8.300 nan 0.000 0.474 666 L N 3.305 124.623 121.223 0.158 0.000 2.540 666 L HA 0.342 4.675 4.340 -0.011 0.000 0.276 666 L C 0.073 177.007 176.870 0.105 0.000 1.212 666 L CA 0.060 54.959 54.840 0.098 0.000 0.893 666 L CB -0.167 41.933 42.059 0.069 0.000 1.138 666 L HN 0.688 nan 8.230 nan 0.000 0.491 667 A N 6.544 129.437 122.820 0.120 0.000 3.105 667 A HA 0.372 4.685 4.320 -0.011 0.000 0.336 667 A C 0.603 178.307 177.584 0.200 0.000 1.042 667 A CA -0.464 51.675 52.037 0.170 0.000 0.851 667 A CB -0.309 18.742 19.000 0.085 0.000 1.068 667 A HN 0.836 nan 8.150 nan 0.000 0.477 668 L N 0.676 122.109 121.223 0.350 0.000 2.711 668 L HA 0.183 4.516 4.340 -0.011 0.000 0.242 668 L C 1.320 178.223 176.870 0.056 0.000 1.153 668 L CA 1.044 56.029 54.840 0.242 0.000 0.898 668 L CB -0.238 41.995 42.059 0.290 0.000 1.044 668 L HN 0.789 nan 8.230 nan 0.000 0.437 669 G N -1.223 107.549 108.800 -0.046 0.000 2.512 669 G HA2 0.288 4.241 3.960 -0.011 0.000 0.186 669 G HA3 0.288 4.241 3.960 -0.011 0.000 0.186 669 G C -1.564 173.090 174.900 -0.410 0.000 1.189 669 G CA -0.490 44.372 45.100 -0.396 0.000 0.994 669 G HN 0.052 nan 8.290 nan 0.000 0.506 670 Q N 0.079 119.592 119.800 -0.479 0.000 2.379 670 Q HA 0.377 4.710 4.340 -0.011 0.000 0.278 670 Q C -1.395 174.604 176.000 -0.002 0.000 1.068 670 Q CA -0.990 54.623 55.803 -0.318 0.000 0.816 670 Q CB 2.445 30.747 28.738 -0.727 0.000 1.387 670 Q HN 0.504 nan 8.270 nan 0.000 0.413 671 N N 1.066 119.856 118.700 0.150 0.000 2.498 671 N HA 0.545 5.278 4.740 -0.011 0.000 0.287 671 N C -0.873 174.815 175.510 0.297 0.000 1.097 671 N CA -0.154 53.049 53.050 0.254 0.000 0.973 671 N CB 2.153 40.787 38.487 0.245 0.000 1.153 671 N HN 0.402 nan 8.380 nan 0.000 0.472 672 V N 0.945 121.013 119.914 0.257 0.000 3.264 672 V HA 0.326 4.439 4.120 -0.011 0.000 0.294 672 V C -1.342 174.848 176.094 0.161 0.000 1.429 672 V CA -0.981 61.462 62.300 0.239 0.000 1.053 672 V CB 1.789 33.772 31.823 0.267 0.000 1.128 672 V HN 0.533 nan 8.190 nan 0.000 0.452 673 L N 4.126 125.423 121.223 0.124 0.000 2.515 673 L HA 0.369 4.702 4.340 -0.011 0.000 0.281 673 L C 0.126 177.010 176.870 0.024 0.000 1.131 673 L CA 0.229 55.102 54.840 0.055 0.000 0.905 673 L CB 0.887 42.955 42.059 0.015 0.000 1.246 673 L HN 0.654 nan 8.230 nan 0.000 0.463 674 V N 3.905 123.830 119.914 0.018 0.000 2.732 674 V HA 0.897 5.011 4.120 -0.011 0.000 0.310 674 V C -0.173 175.907 176.094 -0.024 0.000 1.053 674 V CA -0.299 61.998 62.300 -0.005 0.000 0.957 674 V CB 1.891 33.713 31.823 -0.001 0.000 1.018 674 V HN 0.710 nan 8.190 nan 0.000 0.452 675 A N 6.818 129.623 122.820 -0.026 0.000 2.414 675 A HA 0.627 4.940 4.320 -0.011 0.000 0.286 675 A C -0.619 176.954 177.584 -0.018 0.000 1.073 675 A CA -0.515 51.507 52.037 -0.026 0.000 0.727 675 A CB 1.001 19.995 19.000 -0.011 0.000 1.215 675 A HN 1.515 nan 8.150 nan 0.000 0.430 676 I N 4.064 124.612 120.570 -0.036 0.000 2.379 676 I HA 0.688 4.852 4.170 -0.011 0.000 0.290 676 I C -0.521 175.593 176.117 -0.005 0.000 1.063 676 I CA 0.008 61.290 61.300 -0.029 0.000 1.351 676 I CB 0.141 38.104 38.000 -0.062 0.000 1.410 676 I HN 0.891 nan 8.210 nan 0.000 0.505 677 M N 7.170 126.786 119.600 0.026 0.000 3.019 677 M HA 0.454 4.927 4.480 -0.011 0.000 0.256 677 M C -3.128 173.228 176.300 0.093 0.000 0.911 677 M CA -1.167 54.161 55.300 0.047 0.000 0.794 677 M CB 1.426 34.059 32.600 0.056 0.000 1.643 677 M HN 0.187 nan 8.290 nan 0.000 0.572 678 P HA 0.259 nan 4.420 nan 0.000 0.276 678 P C -1.604 175.799 177.300 0.171 0.000 1.230 678 P CA 0.400 63.567 63.100 0.112 0.000 0.776 678 P CB 0.417 32.153 31.700 0.059 0.000 0.888 679 F N 2.816 122.814 119.950 0.079 0.000 2.646 679 F HA 0.193 4.717 4.527 -0.006 0.000 0.364 679 F C -0.033 175.865 175.800 0.163 0.000 1.137 679 F CA -0.358 57.703 58.000 0.102 0.000 1.085 679 F CB 0.476 39.532 39.000 0.093 0.000 1.331 679 F HN 0.263 nan 8.300 nan 0.000 0.472 680 D N 4.314 124.692 120.400 -0.037 0.000 2.730 680 D HA -0.203 4.431 4.640 -0.011 0.000 0.227 680 D C 1.389 177.737 176.300 0.081 0.000 1.196 680 D CA 1.835 55.858 54.000 0.038 0.000 0.620 680 D CB -0.720 40.131 40.800 0.085 0.000 1.012 680 D HN 1.077 nan 8.370 nan 0.000 0.411 681 G N -1.140 107.716 108.800 0.094 0.000 2.225 681 G HA2 -0.449 3.505 3.960 -0.011 0.000 0.272 681 G HA3 -0.449 3.505 3.960 -0.011 0.000 0.272 681 G C 0.825 175.753 174.900 0.047 0.000 0.996 681 G CA 0.756 45.906 45.100 0.083 0.000 0.710 681 G HN 0.559 nan 8.290 nan 0.000 0.522 682 Y N 0.509 120.916 120.300 0.178 0.000 2.583 682 Y HA 0.082 4.624 4.550 -0.012 0.000 0.293 682 Y C 2.163 178.146 175.900 0.139 0.000 1.157 682 Y CA 1.364 59.553 58.100 0.149 0.000 1.315 682 Y CB 0.125 38.682 38.460 0.163 0.000 1.021 682 Y HN 0.727 nan 8.280 nan 0.000 0.536 683 N N -2.051 116.814 118.700 0.275 0.000 2.282 683 N HA -0.007 4.726 4.740 -0.011 0.000 0.240 683 N C 1.266 176.881 175.510 0.175 0.000 1.182 683 N CA -0.143 53.019 53.050 0.187 0.000 0.874 683 N CB -0.388 38.189 38.487 0.150 0.000 1.126 683 N HN 0.040 nan 8.380 nan 0.000 0.516 684 F N 2.560 122.529 119.950 0.033 0.000 2.100 684 F HA -0.282 4.237 4.527 -0.013 0.000 0.293 684 F C 0.822 176.625 175.800 0.005 0.000 1.137 684 F CA 1.852 59.853 58.000 0.003 0.000 1.252 684 F CB -0.147 38.836 39.000 -0.028 0.000 0.934 684 F HN 0.129 nan 8.300 nan 0.000 0.524 685 E N 0.018 120.126 120.200 -0.153 0.000 2.593 685 E HA 0.243 4.587 4.350 -0.011 0.000 0.232 685 E C -0.514 176.033 176.600 -0.089 0.000 1.026 685 E CA 0.213 56.434 56.400 -0.299 0.000 0.772 685 E CB 0.016 29.483 29.700 -0.388 0.000 1.310 685 E HN 0.460 nan 8.360 nan 0.000 0.413 686 D N 0.989 121.349 120.400 -0.067 0.000 2.653 686 D HA -0.240 4.393 4.640 -0.011 0.000 0.184 686 D C -0.064 176.239 176.300 0.005 0.000 0.993 686 D CA 1.143 55.128 54.000 -0.026 0.000 1.027 686 D CB -0.972 39.815 40.800 -0.022 0.000 1.089 686 D HN 0.530 nan 8.370 nan 0.000 0.447 687 A N 0.346 123.186 122.820 0.033 0.000 2.498 687 A HA 0.480 4.793 4.320 -0.011 0.000 0.239 687 A C 0.250 177.867 177.584 0.056 0.000 1.068 687 A CA 0.522 52.599 52.037 0.067 0.000 0.766 687 A CB 0.314 19.391 19.000 0.129 0.000 1.003 687 A HN 0.327 nan 8.150 nan 0.000 0.497 688 I N 2.612 123.205 120.570 0.038 0.000 2.533 688 I HA 0.376 4.539 4.170 -0.011 0.000 0.290 688 I C -0.030 176.086 176.117 -0.002 0.000 1.056 688 I CA -0.937 60.369 61.300 0.011 0.000 1.057 688 I CB 2.091 40.075 38.000 -0.028 0.000 1.240 688 I HN 0.609 nan 8.210 nan 0.000 0.423 689 V N 5.224 125.128 119.914 -0.018 0.000 2.743 689 V HA 0.636 4.750 4.120 -0.011 0.000 0.301 689 V C -0.543 175.479 176.094 -0.120 0.000 1.057 689 V CA -0.341 61.914 62.300 -0.076 0.000 1.006 689 V CB 1.937 33.680 31.823 -0.133 0.000 1.024 689 V HN 0.489 nan 8.190 nan 0.000 0.473 690 I N 2.563 123.048 120.570 -0.142 0.000 2.619 690 I HA 0.351 4.515 4.170 -0.011 0.000 0.292 690 I C 0.179 176.215 176.117 -0.134 0.000 1.100 690 I CA -0.231 60.990 61.300 -0.131 0.000 1.043 690 I CB 1.951 39.882 38.000 -0.115 0.000 1.239 690 I HN 0.930 nan 8.210 nan 0.000 0.420 691 S N 4.536 120.167 115.700 -0.114 0.000 2.481 691 S HA 0.002 4.465 4.470 -0.011 0.000 0.282 691 S C 1.365 175.916 174.600 -0.081 0.000 1.243 691 S CA -0.019 58.120 58.200 -0.102 0.000 1.078 691 S CB -0.013 63.138 63.200 -0.081 0.000 0.916 691 S HN 0.712 nan 8.310 nan 0.000 0.495 692 E N 3.314 123.465 120.200 -0.082 0.000 2.273 692 E HA -0.264 4.080 4.350 -0.011 0.000 0.198 692 E C 1.456 178.025 176.600 -0.053 0.000 1.002 692 E CA 1.538 57.901 56.400 -0.062 0.000 0.828 692 E CB -0.082 29.581 29.700 -0.062 0.000 0.747 692 E HN 0.810 nan 8.360 nan 0.000 0.491 693 E N 1.042 121.202 120.200 -0.065 0.000 2.065 693 E HA -0.224 4.119 4.350 -0.011 0.000 0.201 693 E C 2.104 178.650 176.600 -0.091 0.000 1.016 693 E CA 1.794 58.147 56.400 -0.078 0.000 0.818 693 E CB -0.571 29.074 29.700 -0.091 0.000 0.749 693 E HN 0.427 nan 8.360 nan 0.000 0.453 694 L N -0.083 121.088 121.223 -0.086 0.000 2.010 694 L HA -0.301 4.032 4.340 -0.011 0.000 0.219 694 L C 2.717 179.599 176.870 0.019 0.000 1.077 694 L CA 1.691 56.493 54.840 -0.063 0.000 0.773 694 L CB -0.835 41.273 42.059 0.081 0.000 0.892 694 L HN 0.226 nan 8.230 nan 0.000 0.436 695 L N -0.309 120.936 121.223 0.036 0.000 1.971 695 L HA -0.269 4.064 4.340 -0.011 0.000 0.215 695 L C 2.762 179.648 176.870 0.026 0.000 1.072 695 L CA 1.722 56.592 54.840 0.050 0.000 0.758 695 L CB -0.600 41.473 42.059 0.023 0.000 0.889 695 L HN 0.272 nan 8.230 nan 0.000 0.433 696 K N 0.024 120.419 120.400 -0.008 0.000 2.107 696 K HA -0.225 4.089 4.320 -0.011 0.000 0.211 696 K C 1.808 178.401 176.600 -0.013 0.000 1.049 696 K CA 1.530 57.807 56.287 -0.016 0.000 0.927 696 K CB -0.344 32.134 32.500 -0.036 0.000 0.714 696 K HN 0.367 nan 8.250 nan 0.000 0.452 697 R N 1.247 121.723 120.500 -0.040 0.000 2.328 697 R HA -0.016 4.317 4.340 -0.011 0.000 0.206 697 R C -0.484 175.886 176.300 0.117 0.000 0.990 697 R CA 0.356 56.435 56.100 -0.035 0.000 1.085 697 R CB -0.331 29.804 30.300 -0.274 0.000 0.998 697 R HN 0.243 nan 8.270 nan 0.000 0.484 698 D N -0.206 120.256 120.400 0.104 0.000 2.739 698 D HA -0.222 4.412 4.640 -0.011 0.000 0.230 698 D C 0.312 176.735 176.300 0.206 0.000 1.167 698 D CA 0.627 54.701 54.000 0.124 0.000 0.640 698 D CB -0.762 40.083 40.800 0.076 0.000 1.045 698 D HN 0.158 nan 8.370 nan 0.000 0.421 699 F N -0.245 119.694 119.950 -0.019 0.000 1.999 699 F HA -0.006 4.515 4.527 -0.011 0.000 0.293 699 F C 1.271 176.950 175.800 -0.202 0.000 1.173 699 F CA 0.996 58.934 58.000 -0.104 0.000 1.162 699 F CB -0.532 38.450 39.000 -0.031 0.000 0.981 699 F HN 0.051 nan 8.300 nan 0.000 0.479 700 Y N 0.821 121.218 120.300 0.162 0.000 2.594 700 Y HA 0.298 4.842 4.550 -0.011 0.000 0.344 700 Y C -0.276 175.638 175.900 0.023 0.000 1.185 700 Y CA -0.092 58.031 58.100 0.039 0.000 1.565 700 Y CB -0.405 38.073 38.460 0.029 0.000 1.415 700 Y HN -0.142 nan 8.280 nan 0.000 0.488 701 T N 1.229 115.812 114.554 0.049 0.000 3.011 701 T HA 0.463 4.807 4.350 -0.011 0.000 0.303 701 T C -0.466 174.232 174.700 -0.003 0.000 0.997 701 T CA -1.071 61.051 62.100 0.036 0.000 1.007 701 T CB 1.116 70.001 68.868 0.028 0.000 1.017 701 T HN 0.418 nan 8.240 nan 0.000 0.443 702 S N 2.315 118.024 115.700 0.014 0.000 2.759 702 S HA 0.874 5.338 4.470 -0.011 0.000 0.310 702 S C -0.698 173.912 174.600 0.016 0.000 1.123 702 S CA -1.009 57.196 58.200 0.008 0.000 0.959 702 S CB 1.253 64.474 63.200 0.036 0.000 1.172 702 S HN 0.624 nan 8.310 nan 0.000 0.539 703 I N 1.747 122.327 120.570 0.017 0.000 2.493 703 I HA 0.278 4.441 4.170 -0.011 0.000 0.279 703 I C -0.904 175.260 176.117 0.078 0.000 1.045 703 I CA -0.353 60.960 61.300 0.022 0.000 1.106 703 I CB 1.152 39.114 38.000 -0.063 0.000 1.216 703 I HN 0.748 nan 8.210 nan 0.000 0.459 704 H N 6.272 125.360 119.070 0.029 0.000 2.487 704 H HA 0.597 5.146 4.556 -0.011 0.000 0.333 704 H C -0.979 174.397 175.328 0.080 0.000 1.114 704 H CA -0.094 55.989 56.048 0.058 0.000 1.310 704 H CB 1.096 30.891 29.762 0.055 0.000 1.462 704 H HN 0.345 nan 8.280 nan 0.000 0.516 705 I N 3.844 124.082 120.570 -0.554 0.000 2.362 705 I HA 0.238 4.401 4.170 -0.011 0.000 0.289 705 I C -0.351 175.552 176.117 -0.357 0.000 0.994 705 I CA -0.599 60.549 61.300 -0.254 0.000 1.158 705 I CB 1.503 39.463 38.000 -0.065 0.000 1.315 705 I HN 0.543 nan 8.210 nan 0.000 0.451 706 E N 5.818 125.993 120.200 -0.040 0.000 2.187 706 E HA 0.515 4.859 4.350 -0.011 0.000 0.268 706 E C -0.981 175.631 176.600 0.020 0.000 0.896 706 E CA -0.799 55.616 56.400 0.026 0.000 0.766 706 E CB 1.474 31.320 29.700 0.243 0.000 1.142 706 E HN 0.457 nan 8.360 nan 0.000 0.408 707 R N 3.733 124.071 120.500 -0.269 0.000 2.589 707 R HA 0.463 4.797 4.340 -0.011 0.000 0.293 707 R C -1.141 174.915 176.300 -0.407 0.000 0.963 707 R CA -0.484 55.351 56.100 -0.442 0.000 0.905 707 R CB 0.640 30.416 30.300 -0.874 0.000 1.144 707 R HN 0.494 nan 8.270 nan 0.000 0.459 708 Y N 0.873 121.024 120.300 -0.248 0.000 2.562 708 Y HA 0.444 4.988 4.550 -0.011 0.000 0.343 708 Y C -0.139 175.698 175.900 -0.105 0.000 1.025 708 Y CA -0.879 57.140 58.100 -0.134 0.000 1.082 708 Y CB 2.173 40.582 38.460 -0.085 0.000 1.264 708 Y HN 0.534 nan 8.280 nan 0.000 0.478 709 E N 1.167 121.405 120.200 0.065 0.000 2.429 709 E HA 0.706 5.049 4.350 -0.011 0.000 0.276 709 E C -1.789 174.833 176.600 0.037 0.000 0.953 709 E CA -1.027 55.395 56.400 0.037 0.000 0.787 709 E CB 3.548 33.247 29.700 -0.000 0.000 1.307 709 E HN 0.445 nan 8.360 nan 0.000 0.458 710 I N 0.259 120.845 120.570 0.027 0.000 2.918 710 I HA 0.260 4.423 4.170 -0.011 0.000 0.301 710 I C -1.756 174.368 176.117 0.011 0.000 1.312 710 I CA -0.167 61.142 61.300 0.016 0.000 1.007 710 I CB 2.282 40.290 38.000 0.013 0.000 1.281 710 I HN 0.485 nan 8.210 nan 0.000 0.440 711 E N 4.179 124.382 120.200 0.005 0.000 2.238 711 E HA 0.757 5.101 4.350 -0.011 0.000 0.267 711 E C -1.297 175.305 176.600 0.003 0.000 0.887 711 E CA -1.202 55.202 56.400 0.006 0.000 0.769 711 E CB 1.969 31.673 29.700 0.006 0.000 1.187 711 E HN 0.630 nan 8.360 nan 0.000 0.416 712 A N 3.303 126.127 122.820 0.007 0.000 2.341 712 A HA 0.411 4.725 4.320 -0.011 0.000 0.326 712 A C -0.447 177.147 177.584 0.016 0.000 1.402 712 A CA -0.569 51.473 52.037 0.008 0.000 0.957 712 A CB 0.046 19.053 19.000 0.011 0.000 1.151 712 A HN 0.518 nan 8.150 nan 0.000 0.533 713 R N 2.087 122.598 120.500 0.019 0.000 2.346 713 R HA 0.337 4.670 4.340 -0.011 0.000 0.311 713 R C -1.048 175.279 176.300 0.045 0.000 0.983 713 R CA -0.702 55.415 56.100 0.028 0.000 0.880 713 R CB 1.331 31.647 30.300 0.027 0.000 1.100 713 R HN 0.461 nan 8.270 nan 0.000 0.453 714 D N 2.768 123.194 120.400 0.045 0.000 2.982 714 D HA 0.006 4.640 4.640 -0.011 0.000 0.238 714 D C -0.182 176.157 176.300 0.065 0.000 1.168 714 D CA 0.230 54.264 54.000 0.056 0.000 0.947 714 D CB -0.163 40.662 40.800 0.042 0.000 1.147 714 D HN 0.476 nan 8.370 nan 0.000 0.450 715 T N -0.032 114.573 114.554 0.085 0.000 2.856 715 T HA -0.192 4.151 4.350 -0.011 0.000 0.327 715 T C 1.585 176.328 174.700 0.072 0.000 1.061 715 T CA 0.317 62.473 62.100 0.092 0.000 1.131 715 T CB 1.289 70.248 68.868 0.151 0.000 1.083 715 T HN 0.254 nan 8.240 nan 0.000 0.518 716 K N 0.857 121.288 120.400 0.052 0.000 2.103 716 K HA 0.043 4.356 4.320 -0.011 0.000 0.204 716 K C 1.616 178.220 176.600 0.007 0.000 1.052 716 K CA 0.901 57.203 56.287 0.025 0.000 0.945 716 K CB -0.133 32.379 32.500 0.020 0.000 0.722 716 K HN 0.568 nan 8.250 nan 0.000 0.443 717 L N 1.259 122.501 121.223 0.032 0.000 2.693 717 L HA 0.142 4.476 4.340 -0.011 0.000 0.242 717 L C 0.316 177.113 176.870 -0.123 0.000 1.157 717 L CA 0.072 54.902 54.840 -0.017 0.000 0.929 717 L CB -0.675 41.435 42.059 0.084 0.000 1.103 717 L HN 0.409 nan 8.230 nan 0.000 0.430 718 G N 0.139 108.924 108.800 -0.026 0.000 2.907 718 G HA2 -0.124 3.829 3.960 -0.011 0.000 0.686 718 G HA3 -0.124 3.829 3.960 -0.011 0.000 0.686 718 G C -2.992 172.124 174.900 0.360 0.000 1.115 718 G CA -1.323 43.779 45.100 0.003 0.000 0.760 718 G HN -0.063 nan 8.290 nan 0.000 0.620 719 P HA 0.309 nan 4.420 nan 0.000 0.269 719 P C 0.005 177.440 177.300 0.226 0.000 1.209 719 P CA 0.155 63.380 63.100 0.208 0.000 0.776 719 P CB 0.628 32.401 31.700 0.122 0.000 0.876 720 E N 2.450 122.689 120.200 0.066 0.000 2.250 720 E HA 0.666 5.009 4.350 -0.011 0.000 0.265 720 E C -0.159 176.412 176.600 -0.047 0.000 1.033 720 E CA -0.729 55.614 56.400 -0.094 0.000 0.888 720 E CB 1.130 30.748 29.700 -0.137 0.000 1.151 720 E HN 0.275 nan 8.360 nan 0.000 0.412 721 R N 0.229 120.681 120.500 -0.080 0.000 2.855 721 R HA 0.558 4.892 4.340 -0.011 0.000 0.266 721 R C -0.501 175.774 176.300 -0.041 0.000 1.034 721 R CA -1.029 55.048 56.100 -0.038 0.000 0.944 721 R CB 1.421 31.712 30.300 -0.016 0.000 1.219 721 R HN 0.687 nan 8.270 nan 0.000 0.474 722 I N -0.899 119.658 120.570 -0.022 0.000 2.313 722 I HA 0.392 4.556 4.170 -0.011 0.000 0.286 722 I C -0.374 175.734 176.117 -0.015 0.000 1.091 722 I CA -0.231 61.057 61.300 -0.019 0.000 1.216 722 I CB 1.230 39.224 38.000 -0.009 0.000 1.434 722 I HN 0.359 nan 8.210 nan 0.000 0.487 723 T N 3.744 118.286 114.554 -0.020 0.000 2.906 723 T HA 0.344 4.687 4.350 -0.011 0.000 0.295 723 T C 0.658 175.351 174.700 -0.012 0.000 1.061 723 T CA -0.717 61.376 62.100 -0.012 0.000 1.000 723 T CB 2.435 71.297 68.868 -0.011 0.000 1.103 723 T HN 0.742 nan 8.240 nan 0.000 0.486 724 R N 1.138 121.635 120.500 -0.005 0.000 2.236 724 R HA 0.038 4.371 4.340 -0.011 0.000 0.208 724 R C -0.153 176.151 176.300 0.007 0.000 1.036 724 R CA 0.470 56.569 56.100 -0.002 0.000 1.001 724 R CB -0.070 30.230 30.300 0.001 0.000 0.896 724 R HN 0.647 nan 8.270 nan 0.000 0.464 725 D N 1.531 121.935 120.400 0.006 0.000 2.422 725 D HA 0.106 4.739 4.640 -0.011 0.000 0.227 725 D C -0.217 176.089 176.300 0.010 0.000 1.190 725 D CA -0.244 53.763 54.000 0.012 0.000 0.905 725 D CB 0.110 40.916 40.800 0.011 0.000 1.034 725 D HN 0.290 nan 8.370 nan 0.000 0.507 726 I N 0.282 120.868 120.570 0.027 0.000 2.785 726 I HA 0.519 4.682 4.170 -0.011 0.000 0.302 726 I C -2.040 174.108 176.117 0.052 0.000 1.069 726 I CA -2.875 58.441 61.300 0.028 0.000 1.045 726 I CB 2.306 40.321 38.000 0.026 0.000 1.236 726 I HN -0.083 nan 8.210 nan 0.000 0.429 727 P HA -0.133 nan 4.420 nan 0.000 0.234 727 P C 0.037 177.366 177.300 0.049 0.000 1.162 727 P CA 0.922 64.039 63.100 0.028 0.000 0.759 727 P CB -0.488 31.221 31.700 0.015 0.000 0.813 728 H N -0.406 118.649 119.070 -0.025 0.000 2.983 728 H HA -0.018 4.532 4.556 -0.011 0.000 0.361 728 H C 1.210 176.524 175.328 -0.024 0.000 1.145 728 H CA 0.103 56.135 56.048 -0.026 0.000 1.404 728 H CB 0.199 29.945 29.762 -0.026 0.000 1.356 728 H HN -0.175 nan 8.280 nan 0.000 0.612 729 L N 1.959 122.689 121.223 -0.823 0.000 2.046 729 L HA 0.094 4.427 4.340 -0.011 0.000 0.203 729 L C 1.370 177.699 176.870 -0.902 0.000 1.111 729 L CA 1.723 56.159 54.840 -0.674 0.000 0.769 729 L CB -0.955 40.910 42.059 -0.322 0.000 0.914 729 L HN 0.686 nan 8.230 nan 0.000 0.448 730 S N -1.368 113.686 115.700 -1.076 0.000 2.658 730 S HA -0.049 4.415 4.470 -0.011 0.000 0.249 730 S C 0.991 175.554 174.600 -0.061 0.000 1.363 730 S CA 0.726 58.767 58.200 -0.266 0.000 0.964 730 S CB 0.472 63.788 63.200 0.194 0.000 0.973 730 S HN 0.522 nan 8.310 nan 0.000 0.588 731 E N -0.065 120.181 120.200 0.076 0.000 2.571 731 E HA 0.361 4.705 4.350 -0.011 0.000 0.204 731 E C 1.553 178.202 176.600 0.081 0.000 0.851 731 E CA 0.756 57.204 56.400 0.080 0.000 1.358 731 E CB -1.011 28.704 29.700 0.025 0.000 1.327 731 E HN 0.563 nan 8.360 nan 0.000 0.665 732 A N 1.090 123.949 122.820 0.064 0.000 2.194 732 A HA 0.078 4.391 4.320 -0.011 0.000 0.220 732 A C 2.056 179.663 177.584 0.040 0.000 1.162 732 A CA 1.688 53.750 52.037 0.042 0.000 0.674 732 A CB -0.845 18.175 19.000 0.033 0.000 0.789 732 A HN 0.430 nan 8.150 nan 0.000 0.470 733 A N -1.235 121.630 122.820 0.075 0.000 2.337 733 A HA 0.524 4.837 4.320 -0.011 0.000 0.227 733 A C 1.254 178.826 177.584 -0.020 0.000 1.259 733 A CA 0.301 52.342 52.037 0.006 0.000 0.870 733 A CB -0.250 18.721 19.000 -0.049 0.000 0.927 733 A HN 0.454 nan 8.150 nan 0.000 0.497 734 L N -2.364 118.870 121.223 0.018 0.000 3.039 734 L HA 0.173 4.506 4.340 -0.011 0.000 0.269 734 L C 1.953 178.824 176.870 0.001 0.000 1.169 734 L CA -0.457 54.387 54.840 0.008 0.000 0.986 734 L CB -0.154 41.927 42.059 0.037 0.000 1.377 734 L HN 0.054 nan 8.230 nan 0.000 0.575 735 R N 1.378 121.880 120.500 0.003 0.000 2.224 735 R HA -0.247 4.086 4.340 -0.011 0.000 0.255 735 R C 1.116 177.412 176.300 -0.007 0.000 1.130 735 R CA 2.332 58.431 56.100 -0.001 0.000 0.957 735 R CB -0.711 29.588 30.300 -0.003 0.000 0.907 735 R HN 0.483 nan 8.270 nan 0.000 0.446 736 D N -0.343 120.049 120.400 -0.014 0.000 2.338 736 D HA -0.023 4.611 4.640 -0.011 0.000 0.224 736 D C 0.835 177.124 176.300 -0.019 0.000 0.967 736 D CA -0.038 53.952 54.000 -0.017 0.000 0.896 736 D CB -0.105 40.681 40.800 -0.023 0.000 1.028 736 D HN 0.026 nan 8.370 nan 0.000 0.493 737 L N 2.315 123.523 121.223 -0.025 0.000 2.376 737 L HA 0.072 4.405 4.340 -0.011 0.000 0.250 737 L C 0.288 177.148 176.870 -0.016 0.000 1.335 737 L CA 0.492 55.317 54.840 -0.025 0.000 1.214 737 L CB -0.159 41.877 42.059 -0.038 0.000 1.395 737 L HN -0.201 nan 8.230 nan 0.000 0.424 738 D N 0.105 120.499 120.400 -0.011 0.000 2.474 738 D HA -0.016 4.617 4.640 -0.011 0.000 0.213 738 D C 0.373 176.670 176.300 -0.004 0.000 1.120 738 D CA 0.078 54.075 54.000 -0.005 0.000 0.836 738 D CB 0.349 41.147 40.800 -0.003 0.000 1.019 738 D HN 0.538 nan 8.370 nan 0.000 0.507 739 E N 1.437 121.633 120.200 -0.006 0.000 2.614 739 E HA 0.042 4.385 4.350 -0.011 0.000 0.321 739 E C -0.605 175.993 176.600 -0.003 0.000 1.354 739 E CA 0.032 56.429 56.400 -0.005 0.000 1.469 739 E CB -0.272 29.424 29.700 -0.006 0.000 1.197 739 E HN 0.192 nan 8.360 nan 0.000 0.497 740 E N -0.022 120.178 120.200 -0.001 0.000 2.183 740 E HA -0.290 4.053 4.350 -0.011 0.000 0.196 740 E C 0.728 177.327 176.600 -0.001 0.000 1.364 740 E CA 0.885 57.285 56.400 0.000 0.000 0.700 740 E CB -1.596 28.105 29.700 0.002 0.000 1.106 740 E HN 0.798 nan 8.360 nan 0.000 0.347 741 G N -2.737 106.060 108.800 -0.004 0.000 2.604 741 G HA2 -0.273 3.681 3.960 -0.011 0.000 0.205 741 G HA3 -0.273 3.681 3.960 -0.011 0.000 0.205 741 G C 0.311 175.205 174.900 -0.011 0.000 1.186 741 G CA -0.340 44.756 45.100 -0.007 0.000 0.753 741 G HN 0.562 nan 8.290 nan 0.000 0.526 742 V N 1.712 121.622 119.914 -0.007 0.000 2.834 742 V HA 0.749 4.862 4.120 -0.011 0.000 0.313 742 V C 0.928 177.014 176.094 -0.013 0.000 1.060 742 V CA -0.263 62.032 62.300 -0.009 0.000 0.989 742 V CB 1.831 33.654 31.823 0.000 0.000 1.041 742 V HN 0.805 nan 8.190 nan 0.000 0.459 743 V N 3.696 123.599 119.914 -0.019 0.000 2.583 743 V HA 0.412 4.525 4.120 -0.011 0.000 0.287 743 V C 0.512 176.596 176.094 -0.016 0.000 1.051 743 V CA -0.667 61.620 62.300 -0.023 0.000 1.010 743 V CB 1.223 33.024 31.823 -0.037 0.000 0.988 743 V HN 1.027 nan 8.190 nan 0.000 0.478 744 R N 6.516 127.007 120.500 -0.016 0.000 2.421 744 R HA 0.325 4.659 4.340 -0.011 0.000 0.305 744 R C -0.146 176.146 176.300 -0.013 0.000 1.039 744 R CA 0.018 56.110 56.100 -0.013 0.000 1.003 744 R CB -0.368 29.925 30.300 -0.012 0.000 0.959 744 R HN 0.654 nan 8.270 nan 0.000 0.427 745 I N 2.795 123.358 120.570 -0.011 0.000 3.058 745 I HA -0.045 4.118 4.170 -0.011 0.000 0.299 745 I C 1.237 177.347 176.117 -0.012 0.000 1.238 745 I CA 1.698 62.992 61.300 -0.010 0.000 1.423 745 I CB 0.084 38.075 38.000 -0.016 0.000 1.330 745 I HN 1.047 nan 8.210 nan 0.000 0.589 746 G N 4.274 113.069 108.800 -0.008 0.000 2.256 746 G HA2 -0.047 3.907 3.960 -0.011 0.000 0.272 746 G HA3 -0.047 3.907 3.960 -0.011 0.000 0.272 746 G C -0.067 174.828 174.900 -0.008 0.000 1.076 746 G CA -0.008 45.087 45.100 -0.007 0.000 0.882 746 G HN 1.103 nan 8.290 nan 0.000 0.497 747 A N -0.325 122.488 122.820 -0.011 0.000 2.318 747 A HA 0.781 5.094 4.320 -0.011 0.000 0.324 747 A C 0.188 177.761 177.584 -0.018 0.000 1.170 747 A CA -0.142 51.885 52.037 -0.016 0.000 0.810 747 A CB 1.087 20.073 19.000 -0.023 0.000 1.198 747 A HN 0.924 nan 8.150 nan 0.000 0.484 748 E N 2.138 122.329 120.200 -0.015 0.000 1.985 748 E HA 0.289 4.633 4.350 -0.011 0.000 0.268 748 E C -0.059 176.525 176.600 -0.026 0.000 1.219 748 E CA -0.088 56.303 56.400 -0.015 0.000 0.942 748 E CB 0.032 29.727 29.700 -0.009 0.000 1.045 748 E HN 0.815 nan 8.360 nan 0.000 0.413 749 V N 2.247 122.139 119.914 -0.037 0.000 2.743 749 V HA 0.600 4.714 4.120 -0.011 0.000 0.301 749 V C -0.525 175.540 176.094 -0.049 0.000 1.057 749 V CA -0.590 61.676 62.300 -0.056 0.000 1.006 749 V CB 1.369 33.138 31.823 -0.091 0.000 1.024 749 V HN 0.578 nan 8.190 nan 0.000 0.473 750 K N 3.675 124.043 120.400 -0.053 0.000 2.426 750 K HA 0.542 4.855 4.320 -0.011 0.000 0.251 750 K C -2.919 173.648 176.600 -0.054 0.000 0.941 750 K CA -2.117 54.145 56.287 -0.042 0.000 0.808 750 K CB 2.281 34.764 32.500 -0.029 0.000 1.265 750 K HN 0.440 nan 8.250 nan 0.000 0.432 751 P HA -0.161 nan 4.420 nan 0.000 0.257 751 P C 0.505 177.769 177.300 -0.060 0.000 1.153 751 P CA 1.552 64.620 63.100 -0.054 0.000 0.762 751 P CB 0.212 31.889 31.700 -0.038 0.000 0.743 752 G N 1.995 110.750 108.800 -0.075 0.000 2.218 752 G HA2 -0.154 3.799 3.960 -0.011 0.000 0.216 752 G HA3 -0.154 3.799 3.960 -0.011 0.000 0.216 752 G C 0.030 174.878 174.900 -0.087 0.000 0.994 752 G CA -0.369 44.686 45.100 -0.075 0.000 0.637 752 G HN 0.486 nan 8.290 nan 0.000 0.505 753 D N 0.152 120.497 120.400 -0.091 0.000 2.411 753 D HA 0.503 5.137 4.640 -0.011 0.000 0.251 753 D C 0.761 176.993 176.300 -0.113 0.000 1.201 753 D CA -0.057 53.884 54.000 -0.098 0.000 0.996 753 D CB 0.922 41.671 40.800 -0.086 0.000 1.101 753 D HN 0.245 nan 8.370 nan 0.000 0.504 754 I N 1.903 122.406 120.570 -0.111 0.000 2.310 754 I HA 0.068 4.231 4.170 -0.011 0.000 0.287 754 I C 1.540 177.597 176.117 -0.099 0.000 1.073 754 I CA -0.336 60.899 61.300 -0.108 0.000 1.216 754 I CB 0.759 38.694 38.000 -0.109 0.000 1.415 754 I HN 0.147 nan 8.210 nan 0.000 0.480 755 L N 5.874 127.026 121.223 -0.118 0.000 2.083 755 L HA -0.037 4.296 4.340 -0.011 0.000 0.209 755 L C 0.422 177.250 176.870 -0.069 0.000 1.083 755 L CA 1.080 55.851 54.840 -0.116 0.000 0.752 755 L CB -0.400 41.556 42.059 -0.172 0.000 0.899 755 L HN 0.357 nan 8.230 nan 0.000 0.433 756 V N -1.224 118.653 119.914 -0.061 0.000 2.932 756 V HA 0.556 4.670 4.120 -0.011 0.000 0.307 756 V C -0.040 176.027 176.094 -0.046 0.000 1.147 756 V CA -0.764 61.511 62.300 -0.040 0.000 0.951 756 V CB 1.700 33.510 31.823 -0.022 0.000 1.031 756 V HN 0.093 nan 8.190 nan 0.000 0.426 757 G N 2.351 111.127 108.800 -0.040 0.000 2.319 757 G HA2 0.693 4.646 3.960 -0.011 0.000 0.308 757 G HA3 0.693 4.646 3.960 -0.011 0.000 0.308 757 G C -0.681 174.195 174.900 -0.041 0.000 1.117 757 G CA -0.433 44.641 45.100 -0.044 0.000 0.903 757 G HN 0.704 nan 8.290 nan 0.000 0.436 758 R N 0.908 121.377 120.500 -0.051 0.000 2.795 758 R HA 0.747 5.080 4.340 -0.011 0.000 0.275 758 R C -0.973 175.276 176.300 -0.085 0.000 0.981 758 R CA -0.563 55.500 56.100 -0.061 0.000 0.917 758 R CB 2.095 32.362 30.300 -0.055 0.000 1.202 758 R HN 0.626 nan 8.270 nan 0.000 0.469 759 T N -0.357 114.125 114.554 -0.121 0.000 2.993 759 T HA 0.544 4.887 4.350 -0.011 0.000 0.312 759 T C -0.517 173.979 174.700 -0.340 0.000 1.115 759 T CA -0.685 61.303 62.100 -0.186 0.000 1.027 759 T CB 1.666 70.438 68.868 -0.159 0.000 1.116 759 T HN 0.661 nan 8.240 nan 0.000 0.464 760 S N 1.187 116.618 115.700 -0.449 0.000 3.331 760 S HA 0.909 5.372 4.470 -0.011 0.000 0.316 760 S C -1.505 172.514 174.600 -0.969 0.000 1.104 760 S CA -1.064 56.664 58.200 -0.788 0.000 0.977 760 S CB 0.609 63.614 63.200 -0.324 0.000 1.370 760 S HN 0.683 nan 8.310 nan 0.000 0.731 761 F N 0.799 120.754 119.950 0.008 0.000 2.536 761 F HA 0.656 5.176 4.527 -0.011 0.000 0.322 761 F C 0.061 175.866 175.800 0.008 0.000 1.144 761 F CA -0.831 57.175 58.000 0.009 0.000 0.924 761 F CB 1.633 40.638 39.000 0.009 0.000 1.181 761 F HN 0.534 nan 8.300 nan 0.000 0.438 762 K N 0.968 121.454 120.400 0.142 0.000 2.132 762 K HA 0.580 4.894 4.320 -0.011 0.000 0.241 762 K C 0.974 177.624 176.600 0.083 0.000 1.000 762 K CA -0.073 56.268 56.287 0.089 0.000 0.911 762 K CB 1.347 33.876 32.500 0.048 0.000 1.093 762 K HN 0.900 nan 8.250 nan 0.000 0.460 763 G N 1.867 110.702 108.800 0.059 0.000 2.379 763 G HA2 -0.325 3.629 3.960 -0.011 0.000 0.297 763 G HA3 -0.325 3.629 3.960 -0.011 0.000 0.297 763 G C 0.030 174.959 174.900 0.049 0.000 1.004 763 G CA 1.370 46.498 45.100 0.047 0.000 0.921 763 G HN 0.937 nan 8.290 nan 0.000 0.511 764 E N -1.767 118.468 120.200 0.059 0.000 2.320 764 E HA -0.288 4.055 4.350 -0.011 0.000 0.234 764 E C 1.217 177.844 176.600 0.045 0.000 1.183 764 E CA 1.284 57.713 56.400 0.049 0.000 0.713 764 E CB -1.403 28.313 29.700 0.027 0.000 1.226 764 E HN 2.206 nan 8.360 nan 0.000 0.382 765 S N -1.725 114.028 115.700 0.089 0.000 3.477 765 S HA -0.307 4.156 4.470 -0.011 0.000 0.357 765 S C -0.263 174.369 174.600 0.052 0.000 1.083 765 S CA 1.809 60.066 58.200 0.095 0.000 1.042 765 S CB -1.403 61.817 63.200 0.032 0.000 0.911 765 S HN 0.517 nan 8.310 nan 0.000 0.490 766 E N 2.482 122.710 120.200 0.047 0.000 2.102 766 E HA 0.415 4.759 4.350 -0.011 0.000 0.263 766 E C -2.230 174.393 176.600 0.038 0.000 0.894 766 E CA -2.038 54.382 56.400 0.033 0.000 0.746 766 E CB 1.009 30.724 29.700 0.024 0.000 1.129 766 E HN 0.421 nan 8.360 nan 0.000 0.416 767 P HA 0.009 nan 4.420 nan 0.000 0.271 767 P C -0.319 176.999 177.300 0.031 0.000 1.226 767 P CA -0.321 62.801 63.100 0.037 0.000 0.765 767 P CB 0.766 32.489 31.700 0.038 0.000 0.835 768 T N 5.987 120.559 114.554 0.030 0.000 2.946 768 T HA 0.010 4.353 4.350 -0.011 0.000 0.312 768 T C -1.375 173.342 174.700 0.027 0.000 1.066 768 T CA -0.186 61.930 62.100 0.027 0.000 1.138 768 T CB -0.228 68.656 68.868 0.026 0.000 1.014 768 T HN 0.359 nan 8.240 nan 0.000 0.544 769 P HA -0.029 nan 4.420 nan 0.000 0.219 769 P C 1.585 178.902 177.300 0.027 0.000 1.150 769 P CA 0.613 63.728 63.100 0.024 0.000 0.814 769 P CB 0.242 31.954 31.700 0.021 0.000 0.787 770 E N 0.162 120.378 120.200 0.027 0.000 2.023 770 E HA -0.240 4.103 4.350 -0.011 0.000 0.196 770 E C 2.012 178.632 176.600 0.033 0.000 1.003 770 E CA 1.218 57.635 56.400 0.028 0.000 0.809 770 E CB -0.790 28.926 29.700 0.026 0.000 0.755 770 E HN 0.428 nan 8.360 nan 0.000 0.449 771 E N 1.311 121.530 120.200 0.030 0.000 2.085 771 E HA -0.246 4.097 4.350 -0.011 0.000 0.194 771 E C 2.201 178.824 176.600 0.039 0.000 0.994 771 E CA 0.886 57.305 56.400 0.031 0.000 0.801 771 E CB -0.026 29.690 29.700 0.027 0.000 0.743 771 E HN 0.068 nan 8.360 nan 0.000 0.453 772 R N 0.209 120.731 120.500 0.037 0.000 2.223 772 R HA -0.269 4.065 4.340 -0.011 0.000 0.229 772 R C 2.706 179.036 176.300 0.049 0.000 1.105 772 R CA 2.387 58.511 56.100 0.040 0.000 0.880 772 R CB -0.887 29.433 30.300 0.032 0.000 0.853 772 R HN 0.319 nan 8.270 nan 0.000 0.429 773 L N 1.069 122.320 121.223 0.046 0.000 1.997 773 L HA -0.284 4.049 4.340 -0.011 0.000 0.227 773 L C 2.162 179.083 176.870 0.085 0.000 1.087 773 L CA 2.347 57.219 54.840 0.054 0.000 0.797 773 L CB -1.227 40.861 42.059 0.047 0.000 0.902 773 L HN 0.503 nan 8.230 nan 0.000 0.441 774 L N -0.301 120.977 121.223 0.092 0.000 1.976 774 L HA -0.311 4.022 4.340 -0.011 0.000 0.223 774 L C 2.794 179.778 176.870 0.190 0.000 1.081 774 L CA 2.414 57.336 54.840 0.137 0.000 0.784 774 L CB -1.052 41.052 42.059 0.075 0.000 0.896 774 L HN 0.512 nan 8.230 nan 0.000 0.438 775 R N 0.573 121.143 120.500 0.115 0.000 2.134 775 R HA -0.186 4.147 4.340 -0.011 0.000 0.248 775 R C 2.453 178.848 176.300 0.158 0.000 1.143 775 R CA 1.901 58.071 56.100 0.116 0.000 0.957 775 R CB -1.390 28.950 30.300 0.066 0.000 0.867 775 R HN 0.774 nan 8.270 nan 0.000 0.441 776 S N 0.997 116.766 115.700 0.115 0.000 2.383 776 S HA -0.124 4.340 4.470 -0.011 0.000 0.229 776 S C 2.121 176.766 174.600 0.076 0.000 1.030 776 S CA 1.415 59.664 58.200 0.082 0.000 1.002 776 S CB -0.702 62.527 63.200 0.048 0.000 0.829 776 S HN 0.342 nan 8.310 nan 0.000 0.467 777 I N -0.229 120.404 120.570 0.106 0.000 2.800 777 I HA -0.065 4.098 4.170 -0.011 0.000 0.266 777 I C 0.491 176.398 176.117 -0.351 0.000 1.249 777 I CA 1.058 62.311 61.300 -0.077 0.000 1.458 777 I CB -0.503 37.484 38.000 -0.021 0.000 1.093 777 I HN 0.210 nan 8.210 nan 0.000 0.466 778 F N 0.555 120.506 119.950 0.001 0.000 2.811 778 F HA 0.456 4.976 4.527 -0.011 0.000 0.342 778 F C 0.824 176.623 175.800 -0.002 0.000 1.203 778 F CA -0.695 57.304 58.000 -0.002 0.000 1.173 778 F CB 0.566 39.564 39.000 -0.004 0.000 1.094 778 F HN -0.048 nan 8.300 nan 0.000 0.510 779 G N 1.609 110.483 108.800 0.123 0.000 2.858 779 G HA2 -0.210 3.744 3.960 -0.011 0.000 0.272 779 G HA3 -0.210 3.744 3.960 -0.011 0.000 0.272 779 G C -0.207 174.742 174.900 0.083 0.000 1.003 779 G CA -0.817 44.331 45.100 0.080 0.000 1.241 779 G HN 0.397 nan 8.290 nan 0.000 0.569 780 E N 0.470 120.711 120.200 0.067 0.000 2.614 780 E HA 0.167 4.510 4.350 -0.011 0.000 0.321 780 E C 0.757 177.385 176.600 0.046 0.000 1.354 780 E CA -0.052 56.384 56.400 0.061 0.000 1.469 780 E CB -0.082 29.649 29.700 0.052 0.000 1.197 780 E HN 0.354 nan 8.360 nan 0.000 0.497 781 K N 1.128 121.555 120.400 0.046 0.000 2.231 781 K HA 0.238 4.552 4.320 -0.011 0.000 0.255 781 K C -0.457 176.167 176.600 0.041 0.000 1.108 781 K CA -0.212 56.099 56.287 0.039 0.000 0.997 781 K CB 0.653 33.174 32.500 0.035 0.000 1.549 781 K HN 0.257 nan 8.250 nan 0.000 0.419 782 A N 4.499 127.344 122.820 0.042 0.000 3.030 782 A HA 0.042 4.355 4.320 -0.011 0.000 0.273 782 A C 0.210 177.827 177.584 0.054 0.000 1.841 782 A CA -0.146 51.918 52.037 0.045 0.000 1.479 782 A CB -0.579 18.447 19.000 0.043 0.000 1.048 782 A HN 0.749 nan 8.150 nan 0.000 0.612 783 R N 1.711 122.243 120.500 0.053 0.000 2.513 783 R HA -0.038 4.296 4.340 -0.011 0.000 0.333 783 R C 0.780 177.135 176.300 0.092 0.000 0.925 783 R CA 0.548 56.688 56.100 0.068 0.000 1.072 783 R CB 0.350 30.681 30.300 0.051 0.000 0.914 783 R HN 0.764 nan 8.270 nan 0.000 0.408 784 D N 2.897 123.380 120.400 0.138 0.000 2.389 784 D HA -0.102 4.532 4.640 -0.011 0.000 0.221 784 D C 0.098 176.570 176.300 0.287 0.000 0.974 784 D CA 0.444 54.567 54.000 0.205 0.000 0.923 784 D CB -0.083 40.849 40.800 0.221 0.000 0.892 784 D HN 0.140 nan 8.370 nan 0.000 0.518 785 V N 0.844 120.858 119.914 0.166 0.000 2.408 785 V HA 0.117 4.230 4.120 -0.011 0.000 0.267 785 V C 0.473 176.527 176.094 -0.067 0.000 1.047 785 V CA -0.918 61.356 62.300 -0.044 0.000 0.937 785 V CB 0.851 32.622 31.823 -0.087 0.000 0.999 785 V HN 0.001 nan 8.190 nan 0.000 0.472 786 K N 3.551 123.881 120.400 -0.117 0.000 2.172 786 K HA 0.280 4.593 4.320 -0.011 0.000 0.276 786 K C -0.206 176.336 176.600 -0.096 0.000 1.013 786 K CA -0.626 55.619 56.287 -0.071 0.000 0.913 786 K CB 0.953 33.424 32.500 -0.047 0.000 1.055 786 K HN 0.863 nan 8.250 nan 0.000 0.461 787 D N 2.610 122.976 120.400 -0.056 0.000 2.343 787 D HA -0.017 4.616 4.640 -0.011 0.000 0.255 787 D C -0.119 176.145 176.300 -0.061 0.000 1.187 787 D CA -0.110 53.856 54.000 -0.056 0.000 0.875 787 D CB 0.930 41.715 40.800 -0.024 0.000 1.136 787 D HN 0.544 nan 8.370 nan 0.000 0.469 788 T N 0.236 114.746 114.554 -0.073 0.000 3.380 788 T HA 0.280 4.623 4.350 -0.011 0.000 0.289 788 T C 0.121 174.785 174.700 -0.059 0.000 1.012 788 T CA -0.734 61.328 62.100 -0.064 0.000 0.944 788 T CB -0.447 68.380 68.868 -0.069 0.000 1.172 788 T HN 0.185 nan 8.240 nan 0.000 0.502 789 S N 1.972 117.635 115.700 -0.062 0.000 2.573 789 S HA 0.359 4.822 4.470 -0.011 0.000 0.277 789 S C 0.130 174.695 174.600 -0.058 0.000 1.346 789 S CA -0.688 57.476 58.200 -0.060 0.000 1.034 789 S CB 0.388 63.546 63.200 -0.070 0.000 0.879 789 S HN 0.556 nan 8.310 nan 0.000 0.528 790 L N 3.775 124.968 121.223 -0.051 0.000 2.313 790 L HA 0.362 4.696 4.340 -0.011 0.000 0.282 790 L C 0.022 176.850 176.870 -0.071 0.000 1.092 790 L CA 0.252 55.065 54.840 -0.045 0.000 0.831 790 L CB 0.021 42.066 42.059 -0.024 0.000 1.159 790 L HN 0.461 nan 8.230 nan 0.000 0.442 791 R N 3.606 124.063 120.500 -0.073 0.000 2.758 791 R HA 0.526 4.860 4.340 -0.011 0.000 0.265 791 R C -0.969 175.266 176.300 -0.108 0.000 1.016 791 R CA -1.044 54.999 56.100 -0.095 0.000 1.040 791 R CB 0.993 31.239 30.300 -0.090 0.000 1.152 791 R HN 0.424 nan 8.270 nan 0.000 0.503 792 V N 4.021 123.855 119.914 -0.134 0.000 2.439 792 V HA 0.112 4.226 4.120 -0.011 0.000 0.271 792 V C -1.857 174.187 176.094 -0.083 0.000 1.040 792 V CA -1.269 60.940 62.300 -0.152 0.000 1.002 792 V CB 0.503 32.237 31.823 -0.149 0.000 1.000 792 V HN 0.515 nan 8.190 nan 0.000 0.477 793 P HA 0.076 nan 4.420 nan 0.000 0.269 793 P C -2.139 175.108 177.300 -0.088 0.000 1.211 793 P CA -0.696 62.367 63.100 -0.061 0.000 0.781 793 P CB -0.114 31.583 31.700 -0.005 0.000 0.877 794 P HA -0.045 nan 4.420 nan 0.000 0.300 794 P C 0.830 178.094 177.300 -0.061 0.000 1.294 794 P CA 0.683 63.712 63.100 -0.119 0.000 0.757 794 P CB -0.174 31.415 31.700 -0.185 0.000 1.377 795 G N -0.859 107.945 108.800 0.006 0.000 4.026 795 G HA2 -0.197 3.756 3.960 -0.011 0.000 0.309 795 G HA3 -0.197 3.756 3.960 -0.011 0.000 0.309 795 G C -0.181 174.740 174.900 0.034 0.000 1.411 795 G CA 0.578 45.713 45.100 0.057 0.000 1.037 795 G HN 0.686 nan 8.290 nan 0.000 0.687 796 E N -0.103 120.116 120.200 0.032 0.000 2.445 796 E HA 0.593 4.936 4.350 -0.011 0.000 0.279 796 E C 0.515 177.134 176.600 0.033 0.000 1.018 796 E CA 0.132 56.548 56.400 0.026 0.000 0.816 796 E CB 1.078 30.796 29.700 0.029 0.000 1.356 796 E HN 0.952 nan 8.360 nan 0.000 0.462 797 G N -0.928 107.883 108.800 0.018 0.000 2.844 797 G HA2 0.693 4.646 3.960 -0.011 0.000 0.204 797 G HA3 0.693 4.646 3.960 -0.011 0.000 0.204 797 G C 0.230 175.145 174.900 0.025 0.000 1.815 797 G CA 0.492 45.595 45.100 0.006 0.000 0.739 797 G HN 0.822 nan 8.290 nan 0.000 0.807 798 G N -0.683 108.118 108.800 0.002 0.000 2.347 798 G HA2 0.428 4.381 3.960 -0.011 0.000 0.224 798 G HA3 0.428 4.381 3.960 -0.011 0.000 0.224 798 G C -1.411 173.490 174.900 0.002 0.000 1.318 798 G CA -0.148 44.963 45.100 0.018 0.000 1.016 798 G HN 1.460 nan 8.290 nan 0.000 0.469 799 I N -0.869 119.711 120.570 0.016 0.000 2.509 799 I HA 0.798 4.962 4.170 -0.011 0.000 0.293 799 I C 0.395 176.522 176.117 0.016 0.000 1.020 799 I CA -1.315 59.989 61.300 0.007 0.000 1.088 799 I CB 1.967 39.975 38.000 0.013 0.000 1.267 799 I HN 0.507 nan 8.210 nan 0.000 0.430 800 V N 5.402 125.317 119.914 0.001 0.000 3.209 800 V HA 0.006 4.119 4.120 -0.011 0.000 0.305 800 V C 1.178 177.289 176.094 0.029 0.000 1.127 800 V CA 0.817 63.125 62.300 0.014 0.000 1.235 800 V CB 1.061 32.883 31.823 -0.002 0.000 0.987 800 V HN 0.868 nan 8.190 nan 0.000 0.499 801 V N -0.016 119.926 119.914 0.047 0.000 3.157 801 V HA 0.498 4.611 4.120 -0.011 0.000 0.253 801 V C 0.196 176.289 176.094 -0.003 0.000 1.637 801 V CA 0.244 62.561 62.300 0.028 0.000 1.058 801 V CB 0.111 31.969 31.823 0.059 0.000 0.917 801 V HN 0.866 nan 8.190 nan 0.000 0.417 802 R N 0.850 121.364 120.500 0.024 0.000 2.634 802 R HA 0.615 4.948 4.340 -0.011 0.000 0.263 802 R C -1.757 174.560 176.300 0.028 0.000 1.060 802 R CA 0.555 56.630 56.100 -0.042 0.000 0.898 802 R CB 2.123 32.307 30.300 -0.195 0.000 1.253 802 R HN 0.525 nan 8.270 nan 0.000 0.461 803 T N -0.211 114.343 114.554 0.000 0.000 2.991 803 T HA 0.532 4.876 4.350 -0.011 0.000 0.303 803 T C -0.977 173.740 174.700 0.029 0.000 1.015 803 T CA -0.683 61.451 62.100 0.058 0.000 1.007 803 T CB 1.644 70.540 68.868 0.046 0.000 1.034 803 T HN 0.181 nan 8.240 nan 0.000 0.446 804 V N 3.239 123.198 119.914 0.075 0.000 2.495 804 V HA 0.710 4.823 4.120 -0.011 0.000 0.298 804 V C 0.025 176.158 176.094 0.066 0.000 1.031 804 V CA -0.948 61.385 62.300 0.055 0.000 0.871 804 V CB 1.811 33.674 31.823 0.068 0.000 0.988 804 V HN 0.995 nan 8.190 nan 0.000 0.432 805 R N 4.578 125.102 120.500 0.040 0.000 2.476 805 R HA 0.663 4.996 4.340 -0.011 0.000 0.305 805 R C -1.776 174.539 176.300 0.026 0.000 0.965 805 R CA -0.612 55.508 56.100 0.034 0.000 0.867 805 R CB 1.247 31.562 30.300 0.025 0.000 1.176 805 R HN 0.724 nan 8.270 nan 0.000 0.447 806 L N 4.964 126.202 121.223 0.025 0.000 2.280 806 L HA 0.514 4.848 4.340 -0.011 0.000 0.287 806 L C 0.219 177.098 176.870 0.014 0.000 1.023 806 L CA -0.574 54.276 54.840 0.016 0.000 0.819 806 L CB 1.662 43.728 42.059 0.012 0.000 1.212 806 L HN 0.536 nan 8.230 nan 0.000 0.420 807 R N 4.136 124.644 120.500 0.013 0.000 2.664 807 R HA 0.293 4.626 4.340 -0.011 0.000 0.281 807 R C 0.073 176.380 176.300 0.012 0.000 1.383 807 R CA -0.478 55.630 56.100 0.013 0.000 1.563 807 R CB 0.071 30.380 30.300 0.015 0.000 1.131 807 R HN 0.547 nan 8.270 nan 0.000 0.599 808 R N 0.626 121.132 120.500 0.010 0.000 3.701 808 R HA -0.173 4.160 4.340 -0.011 0.000 0.276 808 R C 0.164 176.469 176.300 0.009 0.000 1.150 808 R CA 0.883 56.988 56.100 0.009 0.000 0.763 808 R CB -1.669 28.638 30.300 0.013 0.000 1.147 808 R HN 0.859 nan 8.270 nan 0.000 0.489 809 G N 1.797 110.601 108.800 0.007 0.000 2.721 809 G HA2 -0.202 3.752 3.960 -0.011 0.000 0.291 809 G HA3 -0.202 3.752 3.960 -0.011 0.000 0.291 809 G C 0.939 175.848 174.900 0.016 0.000 0.451 809 G CA 0.325 45.430 45.100 0.010 0.000 1.150 809 G HN 0.333 nan 8.290 nan 0.000 0.217 810 D N 3.577 123.992 120.400 0.025 0.000 2.221 810 D HA -0.123 4.511 4.640 -0.011 0.000 0.204 810 D C 0.166 176.498 176.300 0.054 0.000 0.982 810 D CA 1.167 55.188 54.000 0.036 0.000 0.857 810 D CB -0.635 40.186 40.800 0.035 0.000 0.934 810 D HN 0.497 nan 8.370 nan 0.000 0.475 811 P HA -0.015 nan 4.420 nan 0.000 0.225 811 P C 0.959 178.330 177.300 0.118 0.000 1.148 811 P CA 1.399 64.554 63.100 0.093 0.000 0.779 811 P CB 0.337 32.082 31.700 0.074 0.000 0.780 812 G N -1.616 107.199 108.800 0.024 0.000 4.199 812 G HA2 -0.046 3.907 3.960 -0.011 0.000 0.220 812 G HA3 -0.046 3.907 3.960 -0.011 0.000 0.220 812 G C -0.254 174.562 174.900 -0.141 0.000 0.841 812 G CA -0.456 44.588 45.100 -0.093 0.000 0.973 812 G HN 0.141 nan 8.290 nan 0.000 0.743 813 V N 2.144 122.017 119.914 -0.069 0.000 2.655 813 V HA 0.350 4.464 4.120 -0.011 0.000 0.300 813 V C 0.687 176.753 176.094 -0.045 0.000 1.044 813 V CA 0.741 63.006 62.300 -0.059 0.000 1.095 813 V CB 1.090 32.897 31.823 -0.026 0.000 0.952 813 V HN 0.554 nan 8.190 nan 0.000 0.485 814 E N 5.004 125.174 120.200 -0.050 0.000 3.659 814 E HA 0.372 4.716 4.350 -0.011 0.000 0.217 814 E C -0.594 175.995 176.600 -0.019 0.000 1.141 814 E CA -0.530 55.851 56.400 -0.032 0.000 1.340 814 E CB 0.399 30.073 29.700 -0.045 0.000 1.295 814 E HN 0.550 nan 8.360 nan 0.000 0.434 815 L N 1.859 123.076 121.223 -0.010 0.000 2.559 815 L HA 0.003 4.337 4.340 -0.011 0.000 0.282 815 L C 0.420 177.291 176.870 0.002 0.000 1.232 815 L CA 0.148 54.986 54.840 -0.002 0.000 0.885 815 L CB 0.070 42.131 42.059 0.004 0.000 1.131 815 L HN 0.224 nan 8.230 nan 0.000 0.498 816 K N 3.899 124.301 120.400 0.004 0.000 2.485 816 K HA 0.076 4.389 4.320 -0.011 0.000 0.277 816 K C -2.270 174.335 176.600 0.010 0.000 0.990 816 K CA -0.908 55.383 56.287 0.007 0.000 0.994 816 K CB -0.279 32.226 32.500 0.008 0.000 0.906 816 K HN 0.257 nan 8.250 nan 0.000 0.488 817 P HA -0.036 nan 4.420 nan 0.000 0.262 817 P C 0.658 177.967 177.300 0.015 0.000 1.182 817 P CA 1.049 64.156 63.100 0.013 0.000 0.761 817 P CB 0.662 32.370 31.700 0.013 0.000 0.795 818 G N 1.274 110.084 108.800 0.017 0.000 2.234 818 G HA2 -0.201 3.753 3.960 -0.011 0.000 0.235 818 G HA3 -0.201 3.753 3.960 -0.011 0.000 0.235 818 G C -0.031 174.881 174.900 0.021 0.000 0.997 818 G CA -0.187 44.925 45.100 0.020 0.000 0.623 818 G HN 0.526 nan 8.290 nan 0.000 0.514 819 V N 2.357 122.281 119.914 0.017 0.000 2.383 819 V HA 0.412 4.526 4.120 -0.011 0.000 0.275 819 V C 1.534 177.638 176.094 0.017 0.000 1.036 819 V CA 0.035 62.345 62.300 0.016 0.000 0.889 819 V CB 1.260 33.091 31.823 0.013 0.000 0.985 819 V HN 0.452 nan 8.190 nan 0.000 0.459 820 R N 3.407 123.919 120.500 0.019 0.000 2.066 820 R HA 0.147 4.481 4.340 -0.011 0.000 0.224 820 R C 0.375 176.685 176.300 0.016 0.000 1.122 820 R CA 0.790 56.901 56.100 0.019 0.000 0.974 820 R CB 0.263 30.576 30.300 0.023 0.000 0.871 820 R HN 0.895 nan 8.270 nan 0.000 0.435 821 E N -0.049 120.160 120.200 0.015 0.000 2.423 821 E HA 0.429 4.773 4.350 -0.011 0.000 0.280 821 E C -1.108 175.500 176.600 0.014 0.000 1.030 821 E CA -1.068 55.341 56.400 0.014 0.000 0.812 821 E CB 1.843 31.552 29.700 0.015 0.000 1.313 821 E HN -0.059 nan 8.360 nan 0.000 0.456 822 V N -1.692 118.232 119.914 0.017 0.000 3.158 822 V HA 0.911 5.025 4.120 -0.011 0.000 0.311 822 V C -0.829 175.282 176.094 0.030 0.000 1.181 822 V CA -0.762 61.550 62.300 0.021 0.000 1.054 822 V CB 1.640 33.475 31.823 0.021 0.000 1.085 822 V HN 0.629 nan 8.190 nan 0.000 0.446 823 V N 0.669 120.606 119.914 0.037 0.000 3.049 823 V HA 0.718 4.831 4.120 -0.011 0.000 0.309 823 V C -0.643 175.497 176.094 0.078 0.000 1.148 823 V CA -0.717 61.615 62.300 0.053 0.000 0.990 823 V CB 2.424 34.271 31.823 0.040 0.000 1.039 823 V HN 1.004 nan 8.190 nan 0.000 0.430 824 R N 1.385 121.959 120.500 0.124 0.000 2.564 824 R HA 0.824 5.158 4.340 -0.011 0.000 0.284 824 R C -1.842 174.619 176.300 0.270 0.000 1.031 824 R CA -0.584 55.627 56.100 0.185 0.000 0.904 824 R CB 2.539 33.015 30.300 0.293 0.000 1.199 824 R HN 0.504 nan 8.270 nan 0.000 0.443 825 V N 3.083 123.136 119.914 0.232 0.000 2.656 825 V HA 0.486 4.599 4.120 -0.011 0.000 0.307 825 V C -1.284 175.006 176.094 0.326 0.000 1.051 825 V CA -0.959 61.506 62.300 0.276 0.000 0.893 825 V CB 1.821 33.701 31.823 0.095 0.000 0.999 825 V HN 0.570 nan 8.190 nan 0.000 0.426 826 Y N 2.377 122.729 120.300 0.087 0.000 2.341 826 Y HA 0.709 5.253 4.550 -0.011 0.000 0.338 826 Y C -0.071 175.875 175.900 0.076 0.000 0.965 826 Y CA -1.107 57.059 58.100 0.110 0.000 1.108 826 Y CB 2.071 40.578 38.460 0.080 0.000 1.180 826 Y HN 0.359 nan 8.280 nan 0.000 0.458 827 V N 3.281 123.324 119.914 0.215 0.000 2.495 827 V HA 0.876 4.990 4.120 -0.011 0.000 0.298 827 V C -0.043 176.129 176.094 0.129 0.000 1.031 827 V CA -0.911 61.466 62.300 0.128 0.000 0.871 827 V CB 1.457 33.310 31.823 0.050 0.000 0.988 827 V HN 0.898 nan 8.190 nan 0.000 0.432 828 A N 4.463 127.343 122.820 0.100 0.000 2.288 828 A HA 0.991 5.305 4.320 -0.011 0.000 0.328 828 A C -0.651 176.981 177.584 0.080 0.000 1.123 828 A CA -0.622 51.468 52.037 0.088 0.000 0.861 828 A CB 1.610 20.664 19.000 0.090 0.000 1.272 828 A HN 0.984 nan 8.150 nan 0.000 0.490 829 Q N 0.028 119.877 119.800 0.082 0.000 2.430 829 Q HA 0.322 4.656 4.340 -0.011 0.000 0.253 829 Q C -1.685 174.352 176.000 0.062 0.000 0.945 829 Q CA -0.677 55.168 55.803 0.070 0.000 0.964 829 Q CB 1.075 29.859 28.738 0.077 0.000 1.460 829 Q HN 0.538 nan 8.270 nan 0.000 0.428 830 K N 2.667 123.092 120.400 0.041 0.000 2.243 830 K HA 0.144 4.458 4.320 -0.011 0.000 0.232 830 K C -0.464 176.153 176.600 0.029 0.000 1.237 830 K CA -0.163 56.141 56.287 0.029 0.000 1.161 830 K CB 0.010 32.522 32.500 0.021 0.000 1.505 830 K HN 0.364 nan 8.250 nan 0.000 0.271 831 R N 2.309 122.832 120.500 0.038 0.000 2.638 831 R HA -0.100 4.233 4.340 -0.011 0.000 0.351 831 R C 0.390 176.700 176.300 0.017 0.000 0.871 831 R CA 0.688 56.799 56.100 0.018 0.000 1.091 831 R CB -0.024 30.282 30.300 0.010 0.000 0.900 831 R HN 0.329 nan 8.270 nan 0.000 0.405 832 K N 2.245 122.653 120.400 0.014 0.000 2.240 832 K HA 0.263 4.576 4.320 -0.011 0.000 0.237 832 K C -0.337 176.278 176.600 0.025 0.000 1.027 832 K CA -0.871 55.434 56.287 0.030 0.000 0.937 832 K CB 0.661 33.180 32.500 0.030 0.000 1.171 832 K HN 0.153 nan 8.250 nan 0.000 0.479 833 L N 2.298 123.553 121.223 0.053 0.000 2.380 833 L HA 0.172 4.505 4.340 -0.011 0.000 0.273 833 L C -0.759 176.108 176.870 -0.005 0.000 1.138 833 L CA 0.803 55.662 54.840 0.032 0.000 0.832 833 L CB 0.598 42.700 42.059 0.071 0.000 1.124 833 L HN 0.735 nan 8.230 nan 0.000 0.454 834 Q N 1.960 121.740 119.800 -0.033 0.000 2.575 834 Q HA 0.491 4.824 4.340 -0.011 0.000 0.290 834 Q C -1.365 174.606 176.000 -0.048 0.000 0.963 834 Q CA -1.130 54.650 55.803 -0.038 0.000 0.783 834 Q CB 1.124 29.838 28.738 -0.040 0.000 1.467 834 Q HN 0.197 nan 8.270 nan 0.000 0.402 835 V N 1.934 121.825 119.914 -0.038 0.000 2.486 835 V HA 0.261 4.375 4.120 -0.011 0.000 0.290 835 V C 1.162 177.236 176.094 -0.032 0.000 0.991 835 V CA 2.050 64.333 62.300 -0.028 0.000 1.142 835 V CB -0.551 31.265 31.823 -0.011 0.000 0.926 835 V HN 1.065 nan 8.190 nan 0.000 0.472 836 G N 3.677 112.457 108.800 -0.033 0.000 3.288 836 G HA2 -0.144 3.809 3.960 -0.011 0.000 0.195 836 G HA3 -0.144 3.809 3.960 -0.011 0.000 0.195 836 G C -0.012 174.860 174.900 -0.046 0.000 1.093 836 G CA -0.179 44.899 45.100 -0.036 0.000 0.852 836 G HN 0.592 nan 8.290 nan 0.000 0.453 837 D N 2.191 122.550 120.400 -0.069 0.000 2.429 837 D HA 0.322 4.956 4.640 -0.011 0.000 0.233 837 D C 0.562 176.834 176.300 -0.045 0.000 1.202 837 D CA 1.000 54.961 54.000 -0.066 0.000 0.879 837 D CB 0.626 41.383 40.800 -0.071 0.000 1.212 837 D HN 0.722 nan 8.370 nan 0.000 0.465 838 K N 0.665 121.049 120.400 -0.026 0.000 2.207 838 K HA 0.670 4.984 4.320 -0.011 0.000 0.255 838 K C -0.805 175.774 176.600 -0.035 0.000 0.941 838 K CA -0.823 55.452 56.287 -0.021 0.000 0.825 838 K CB 1.543 34.048 32.500 0.009 0.000 1.119 838 K HN 0.277 nan 8.250 nan 0.000 0.430 839 L N 1.183 122.374 121.223 -0.055 0.000 2.323 839 L HA 0.865 5.198 4.340 -0.011 0.000 0.265 839 L C -0.791 176.056 176.870 -0.038 0.000 1.012 839 L CA -1.147 53.648 54.840 -0.075 0.000 0.820 839 L CB 2.248 44.210 42.059 -0.161 0.000 1.334 839 L HN 0.979 nan 8.230 nan 0.000 0.427 840 A N 1.055 123.859 122.820 -0.027 0.000 2.574 840 A HA 0.708 5.021 4.320 -0.011 0.000 0.297 840 A C -1.539 176.056 177.584 0.018 0.000 1.062 840 A CA -0.742 51.298 52.037 0.005 0.000 0.686 840 A CB 1.662 20.676 19.000 0.023 0.000 1.285 840 A HN 0.787 nan 8.150 nan 0.000 0.403 841 N N 0.158 118.897 118.700 0.065 0.000 2.477 841 N HA 0.440 5.173 4.740 -0.011 0.000 0.284 841 N C 0.269 175.869 175.510 0.151 0.000 1.182 841 N CA -0.913 52.219 53.050 0.136 0.000 0.949 841 N CB 0.585 39.189 38.487 0.195 0.000 1.204 841 N HN 0.564 nan 8.380 nan 0.000 0.526 842 R N -1.139 119.472 120.500 0.185 0.000 2.355 842 R HA -0.089 4.245 4.340 -0.011 0.000 0.219 842 R C -0.146 176.031 176.300 -0.205 0.000 1.107 842 R CA 0.973 57.071 56.100 -0.003 0.000 1.021 842 R CB -0.568 29.691 30.300 -0.068 0.000 0.852 842 R HN 0.627 nan 8.270 nan 0.000 0.475 843 H N -1.010 118.099 119.070 0.066 0.000 2.579 843 H HA 0.227 4.777 4.556 -0.010 0.000 0.289 843 H C 1.119 176.470 175.328 0.038 0.000 1.270 843 H CA 0.236 56.314 56.048 0.049 0.000 1.060 843 H CB 0.405 30.200 29.762 0.055 0.000 1.554 843 H HN 0.265 nan 8.280 nan 0.000 0.515 844 G N 0.943 109.791 108.800 0.080 0.000 2.230 844 G HA2 -0.416 3.537 3.960 -0.011 0.000 0.270 844 G HA3 -0.416 3.537 3.960 -0.011 0.000 0.270 844 G C 0.553 175.491 174.900 0.063 0.000 0.987 844 G CA 0.593 45.730 45.100 0.061 0.000 0.664 844 G HN 0.540 nan 8.290 nan 0.000 0.539 845 N N 0.370 119.120 118.700 0.084 0.000 2.401 845 N HA 0.375 5.109 4.740 -0.011 0.000 0.255 845 N C 0.035 175.568 175.510 0.038 0.000 1.110 845 N CA 0.217 53.301 53.050 0.056 0.000 0.949 845 N CB 0.617 39.139 38.487 0.059 0.000 1.110 845 N HN 0.608 nan 8.380 nan 0.000 0.490 846 K N 2.017 122.430 120.400 0.022 0.000 2.352 846 K HA 0.790 5.104 4.320 -0.011 0.000 0.240 846 K C -0.676 175.926 176.600 0.002 0.000 1.017 846 K CA -0.784 55.511 56.287 0.013 0.000 0.851 846 K CB 1.528 34.038 32.500 0.017 0.000 1.261 846 K HN 0.591 nan 8.250 nan 0.000 0.451 847 G N 0.113 108.911 108.800 -0.003 0.000 2.325 847 G HA2 0.297 4.250 3.960 -0.011 0.000 0.297 847 G HA3 0.297 4.250 3.960 -0.011 0.000 0.297 847 G C -1.917 172.977 174.900 -0.011 0.000 1.448 847 G CA -0.759 44.338 45.100 -0.005 0.000 0.838 847 G HN 0.405 nan 8.290 nan 0.000 0.579 848 V N -0.147 119.766 119.914 -0.002 0.000 2.732 848 V HA 0.558 4.671 4.120 -0.011 0.000 0.310 848 V C 0.631 176.720 176.094 -0.009 0.000 1.053 848 V CA -0.830 61.466 62.300 -0.007 0.000 0.957 848 V CB 1.871 33.699 31.823 0.008 0.000 1.018 848 V HN 0.738 nan 8.190 nan 0.000 0.452 849 V N 3.522 123.419 119.914 -0.028 0.000 2.403 849 V HA 0.170 4.283 4.120 -0.011 0.000 0.265 849 V C 1.200 177.296 176.094 0.004 0.000 1.034 849 V CA 0.847 63.127 62.300 -0.033 0.000 1.036 849 V CB 0.054 31.841 31.823 -0.059 0.000 1.032 849 V HN 1.103 nan 8.190 nan 0.000 0.478 850 A N 5.156 127.999 122.820 0.038 0.000 1.878 850 A HA 0.141 4.454 4.320 -0.011 0.000 0.213 850 A C 1.068 178.716 177.584 0.107 0.000 1.192 850 A CA 0.934 53.031 52.037 0.099 0.000 0.619 850 A CB 0.165 19.266 19.000 0.169 0.000 0.837 850 A HN 0.683 nan 8.150 nan 0.000 0.446 851 K N -0.813 119.612 120.400 0.043 0.000 2.546 851 K HA 0.592 4.906 4.320 -0.011 0.000 0.264 851 K C -2.000 174.525 176.600 -0.124 0.000 0.937 851 K CA -0.621 55.634 56.287 -0.052 0.000 0.833 851 K CB 1.374 33.752 32.500 -0.202 0.000 1.378 851 K HN 0.181 nan 8.250 nan 0.000 0.432 852 I N 5.085 125.582 120.570 -0.123 0.000 2.339 852 I HA 0.287 4.450 4.170 -0.011 0.000 0.290 852 I C -0.274 175.751 176.117 -0.154 0.000 0.994 852 I CA -0.835 60.391 61.300 -0.124 0.000 1.191 852 I CB 1.114 39.065 38.000 -0.083 0.000 1.343 852 I HN 0.422 nan 8.210 nan 0.000 0.458 853 L N 7.775 128.888 121.223 -0.182 0.000 2.375 853 L HA 0.489 4.822 4.340 -0.011 0.000 0.268 853 L C -2.351 174.445 176.870 -0.122 0.000 1.058 853 L CA -1.857 52.874 54.840 -0.182 0.000 0.803 853 L CB 1.700 43.603 42.059 -0.259 0.000 1.212 853 L HN 0.233 nan 8.230 nan 0.000 0.451 854 P HA 0.017 nan 4.420 nan 0.000 0.282 854 P C 0.742 178.006 177.300 -0.061 0.000 1.274 854 P CA -0.096 62.965 63.100 -0.064 0.000 0.770 854 P CB 1.309 32.982 31.700 -0.045 0.000 0.867 855 V N 4.051 123.929 119.914 -0.060 0.000 2.409 855 V HA -0.384 3.729 4.120 -0.011 0.000 0.261 855 V C 1.523 177.593 176.094 -0.041 0.000 1.099 855 V CA 2.398 64.665 62.300 -0.055 0.000 1.100 855 V CB -0.612 31.178 31.823 -0.056 0.000 0.677 855 V HN 0.552 nan 8.190 nan 0.000 0.460 856 E N 1.065 121.241 120.200 -0.039 0.000 2.002 856 E HA -0.279 4.064 4.350 -0.011 0.000 0.213 856 E C 1.760 178.369 176.600 0.016 0.000 1.024 856 E CA 2.011 58.393 56.400 -0.031 0.000 0.876 856 E CB -0.737 28.950 29.700 -0.021 0.000 0.799 856 E HN 0.936 nan 8.360 nan 0.000 0.497 857 D N 0.253 120.676 120.400 0.040 0.000 2.239 857 D HA -0.209 4.424 4.640 -0.011 0.000 0.202 857 D C 0.703 177.086 176.300 0.138 0.000 0.993 857 D CA 0.634 54.699 54.000 0.108 0.000 0.874 857 D CB -0.426 40.438 40.800 0.106 0.000 0.922 857 D HN 0.079 nan 8.370 nan 0.000 0.464 858 M N 0.985 120.610 119.600 0.043 0.000 2.261 858 M HA 0.125 4.599 4.480 -0.011 0.000 0.350 858 M C -2.464 173.936 176.300 0.166 0.000 1.343 858 M CA -1.768 53.535 55.300 0.004 0.000 1.003 858 M CB 0.498 33.075 32.600 -0.038 0.000 1.848 858 M HN -0.226 nan 8.290 nan 0.000 0.456 859 P HA 0.119 nan 4.420 nan 0.000 0.267 859 P C -1.415 175.957 177.300 0.119 0.000 1.205 859 P CA 0.404 63.587 63.100 0.139 0.000 0.765 859 P CB 0.274 32.046 31.700 0.119 0.000 0.828 860 H N 2.351 121.479 119.070 0.097 0.000 2.908 860 H HA 0.552 5.102 4.556 -0.010 0.000 0.350 860 H C -0.542 174.868 175.328 0.138 0.000 1.217 860 H CA -1.109 54.979 56.048 0.068 0.000 1.168 860 H CB 0.389 30.166 29.762 0.024 0.000 1.891 860 H HN 0.105 nan 8.280 nan 0.000 0.566 861 L N -0.327 120.971 121.223 0.125 0.000 2.416 861 L HA 0.342 4.675 4.340 -0.011 0.000 0.263 861 L C -1.355 175.606 176.870 0.151 0.000 1.065 861 L CA -2.287 52.657 54.840 0.173 0.000 0.798 861 L CB 0.759 42.905 42.059 0.146 0.000 1.267 861 L HN 0.328 nan 8.230 nan 0.000 0.467 862 P HA -0.234 nan 4.420 nan 0.000 0.216 862 P C 0.441 177.712 177.300 -0.048 0.000 1.154 862 P CA 1.684 64.735 63.100 -0.082 0.000 0.865 862 P CB -0.248 31.596 31.700 0.239 0.000 0.789 863 D N -0.589 119.888 120.400 0.128 0.000 2.490 863 D HA 0.021 4.655 4.640 -0.011 0.000 0.255 863 D C 1.244 177.577 176.300 0.056 0.000 1.248 863 D CA 0.476 54.536 54.000 0.100 0.000 0.887 863 D CB -1.533 39.397 40.800 0.216 0.000 0.978 863 D HN 0.239 nan 8.370 nan 0.000 0.491 864 G N 1.482 110.300 108.800 0.030 0.000 2.309 864 G HA2 -0.320 3.634 3.960 -0.011 0.000 0.286 864 G HA3 -0.320 3.634 3.960 -0.011 0.000 0.286 864 G C 0.482 175.394 174.900 0.020 0.000 1.002 864 G CA 1.008 46.102 45.100 -0.009 0.000 0.786 864 G HN 0.711 nan 8.290 nan 0.000 0.511 865 T N -0.529 114.082 114.554 0.095 0.000 2.767 865 T HA 0.666 5.010 4.350 -0.011 0.000 0.288 865 T C -2.069 172.699 174.700 0.113 0.000 0.963 865 T CA -1.739 60.402 62.100 0.068 0.000 1.019 865 T CB 3.218 72.116 68.868 0.050 0.000 0.923 865 T HN 0.181 nan 8.240 nan 0.000 0.468 866 P HA 0.355 nan 4.420 nan 0.000 0.286 866 P C 0.555 177.872 177.300 0.027 0.000 1.261 866 P CA -0.651 62.504 63.100 0.092 0.000 0.821 866 P CB 1.513 33.241 31.700 0.046 0.000 1.013 867 V N 0.338 120.261 119.914 0.014 0.000 3.698 867 V HA 0.268 4.382 4.120 -0.011 0.000 0.280 867 V C 0.730 176.810 176.094 -0.023 0.000 0.995 867 V CA 0.366 62.658 62.300 -0.012 0.000 1.000 867 V CB -0.073 31.739 31.823 -0.019 0.000 1.248 867 V HN 0.495 nan 8.190 nan 0.000 0.429 868 D N -0.730 119.657 120.400 -0.021 0.000 2.455 868 D HA 0.250 4.883 4.640 -0.011 0.000 0.228 868 D C 0.200 176.469 176.300 -0.051 0.000 1.070 868 D CA 0.904 54.885 54.000 -0.032 0.000 0.881 868 D CB 1.623 42.424 40.800 0.002 0.000 1.087 868 D HN 0.461 nan 8.370 nan 0.000 0.498 869 V N 1.184 121.071 119.914 -0.045 0.000 2.888 869 V HA 0.440 4.554 4.120 -0.011 0.000 0.309 869 V C -1.758 174.300 176.094 -0.060 0.000 1.114 869 V CA -0.787 61.474 62.300 -0.065 0.000 0.940 869 V CB 2.641 34.431 31.823 -0.055 0.000 1.021 869 V HN -0.097 nan 8.190 nan 0.000 0.426 870 I N 6.789 127.314 120.570 -0.074 0.000 2.362 870 I HA 0.442 4.606 4.170 -0.011 0.000 0.289 870 I C -0.713 175.401 176.117 -0.005 0.000 0.994 870 I CA -0.501 60.776 61.300 -0.038 0.000 1.158 870 I CB 1.606 39.571 38.000 -0.058 0.000 1.315 870 I HN 0.394 nan 8.210 nan 0.000 0.451 871 L N 6.223 127.448 121.223 0.003 0.000 2.298 871 L HA 0.378 4.712 4.340 -0.011 0.000 0.284 871 L C 0.238 177.117 176.870 0.016 0.000 1.013 871 L CA -0.627 54.215 54.840 0.004 0.000 0.824 871 L CB 1.258 43.307 42.059 -0.015 0.000 1.221 871 L HN 0.589 nan 8.230 nan 0.000 0.418 872 N N 4.583 123.299 118.700 0.027 0.000 2.458 872 N HA 0.064 4.797 4.740 -0.011 0.000 0.258 872 N C -1.899 173.609 175.510 -0.002 0.000 1.219 872 N CA -0.956 52.109 53.050 0.026 0.000 0.902 872 N CB 1.738 40.240 38.487 0.026 0.000 1.076 872 N HN 0.312 nan 8.380 nan 0.000 0.455 873 P HA 0.072 nan 4.420 nan 0.000 0.224 873 P C 1.510 178.794 177.300 -0.027 0.000 1.157 873 P CA 0.543 63.630 63.100 -0.022 0.000 0.799 873 P CB 0.329 32.017 31.700 -0.020 0.000 0.809 874 L N -0.579 120.627 121.223 -0.029 0.000 2.051 874 L HA -0.163 4.170 4.340 -0.011 0.000 0.214 874 L C 2.154 178.997 176.870 -0.044 0.000 1.076 874 L CA 1.785 56.600 54.840 -0.041 0.000 0.758 874 L CB -1.781 40.242 42.059 -0.060 0.000 0.890 874 L HN 0.077 nan 8.230 nan 0.000 0.433 875 G N -1.095 107.679 108.800 -0.044 0.000 3.229 875 G HA2 0.206 4.159 3.960 -0.011 0.000 0.214 875 G HA3 0.206 4.159 3.960 -0.011 0.000 0.214 875 G C 0.990 175.876 174.900 -0.023 0.000 1.256 875 G CA 0.355 45.432 45.100 -0.038 0.000 1.042 875 G HN 0.241 nan 8.290 nan 0.000 0.497 876 V N 0.235 120.135 119.914 -0.024 0.000 3.054 876 V HA 0.107 4.221 4.120 -0.011 0.000 0.227 876 V C -0.209 175.877 176.094 -0.013 0.000 1.252 876 V CA 0.561 62.851 62.300 -0.017 0.000 1.279 876 V CB -0.095 31.712 31.823 -0.027 0.000 1.118 876 V HN 0.095 nan 8.190 nan 0.000 0.504 877 P HA -0.236 nan 4.420 nan 0.000 0.214 877 P C 1.746 179.042 177.300 -0.008 0.000 1.172 877 P CA 2.819 65.912 63.100 -0.013 0.000 0.925 877 P CB -0.375 31.315 31.700 -0.016 0.000 0.793 878 S N -1.391 114.301 115.700 -0.013 0.000 2.571 878 S HA -0.073 4.390 4.470 -0.011 0.000 0.245 878 S C 1.679 176.278 174.600 -0.002 0.000 0.976 878 S CA 0.844 59.039 58.200 -0.009 0.000 0.954 878 S CB -0.660 62.529 63.200 -0.019 0.000 0.756 878 S HN 0.082 nan 8.310 nan 0.000 0.535 879 R N -0.014 120.487 120.500 0.001 0.000 2.316 879 R HA 0.458 4.791 4.340 -0.011 0.000 0.201 879 R C 0.678 176.991 176.300 0.021 0.000 0.888 879 R CA 0.295 56.402 56.100 0.012 0.000 1.041 879 R CB -0.534 29.773 30.300 0.012 0.000 1.115 879 R HN 0.356 nan 8.270 nan 0.000 0.559 880 M N 1.480 121.090 119.600 0.016 0.000 2.333 880 M HA -0.270 4.204 4.480 -0.011 0.000 0.199 880 M C -0.906 175.417 176.300 0.038 0.000 0.376 880 M CA 1.138 56.452 55.300 0.022 0.000 0.440 880 M CB -1.876 30.739 32.600 0.026 0.000 1.506 880 M HN 0.366 nan 8.290 nan 0.000 0.889 881 N N -0.488 118.234 118.700 0.037 0.000 3.131 881 N HA 0.420 5.154 4.740 -0.011 0.000 0.312 881 N C 0.760 176.289 175.510 0.033 0.000 1.433 881 N CA -0.694 52.396 53.050 0.065 0.000 1.141 881 N CB 0.459 38.995 38.487 0.081 0.000 1.431 881 N HN 0.442 nan 8.380 nan 0.000 0.523 882 L N 0.593 121.827 121.223 0.019 0.000 1.990 882 L HA -0.184 4.150 4.340 -0.011 0.000 0.213 882 L C 2.750 179.563 176.870 -0.095 0.000 1.072 882 L CA 1.779 56.593 54.840 -0.044 0.000 0.755 882 L CB -1.029 41.003 42.059 -0.046 0.000 0.889 882 L HN 0.606 nan 8.230 nan 0.000 0.432 883 G N 0.645 109.456 108.800 0.018 0.000 2.869 883 G HA2 -0.465 3.489 3.960 -0.011 0.000 0.240 883 G HA3 -0.465 3.489 3.960 -0.011 0.000 0.240 883 G C 1.349 176.059 174.900 -0.317 0.000 1.143 883 G CA 1.747 46.892 45.100 0.075 0.000 0.749 883 G HN 0.654 nan 8.290 nan 0.000 0.646 884 Q N -0.130 119.136 119.800 -0.891 0.000 2.082 884 Q HA -0.208 4.125 4.340 -0.011 0.000 0.211 884 Q C 2.516 178.337 176.000 -0.299 0.000 1.002 884 Q CA 1.970 57.304 55.803 -0.781 0.000 0.868 884 Q CB -0.559 27.929 28.738 -0.415 0.000 0.931 884 Q HN 0.444 nan 8.270 nan 0.000 0.414 885 I N 1.527 121.956 120.570 -0.235 0.000 2.065 885 I HA -0.346 3.817 4.170 -0.011 0.000 0.236 885 I C 2.707 178.705 176.117 -0.199 0.000 1.028 885 I CA 1.749 62.909 61.300 -0.234 0.000 1.299 885 I CB -1.176 36.720 38.000 -0.173 0.000 1.015 885 I HN 0.339 nan 8.210 nan 0.000 0.396 886 L N 0.140 121.293 121.223 -0.116 0.000 1.990 886 L HA -0.276 4.058 4.340 -0.011 0.000 0.213 886 L C 2.576 179.569 176.870 0.205 0.000 1.072 886 L CA 2.068 56.862 54.840 -0.076 0.000 0.755 886 L CB -1.007 40.583 42.059 -0.781 0.000 0.889 886 L HN 0.380 nan 8.230 nan 0.000 0.432 887 E N 0.065 120.489 120.200 0.373 0.000 2.136 887 E HA -0.276 4.068 4.350 -0.011 0.000 0.202 887 E C 1.922 178.596 176.600 0.124 0.000 1.019 887 E CA 2.271 58.829 56.400 0.263 0.000 0.819 887 E CB -0.065 29.694 29.700 0.098 0.000 0.739 887 E HN 0.480 nan 8.360 nan 0.000 0.458 888 T N -0.610 113.948 114.554 0.007 0.000 2.770 888 T HA -0.103 4.241 4.350 -0.011 0.000 0.263 888 T C 1.363 176.050 174.700 -0.021 0.000 1.039 888 T CA 1.434 63.512 62.100 -0.037 0.000 1.142 888 T CB -0.549 68.224 68.868 -0.159 0.000 0.868 888 T HN 0.394 nan 8.240 nan 0.000 0.435 889 H N 0.485 119.526 119.070 -0.048 0.000 2.255 889 H HA -0.126 4.423 4.556 -0.012 0.000 0.290 889 H C 2.221 177.511 175.328 -0.064 0.000 1.087 889 H CA 1.670 57.657 56.048 -0.101 0.000 1.213 889 H CB -0.328 29.342 29.762 -0.154 0.000 1.349 889 H HN 0.073 nan 8.280 nan 0.000 0.487 890 L N 0.677 121.966 121.223 0.109 0.000 2.083 890 L HA -0.058 4.276 4.340 -0.011 0.000 0.209 890 L C 2.508 179.469 176.870 0.151 0.000 1.083 890 L CA 1.922 56.774 54.840 0.021 0.000 0.752 890 L CB -1.022 41.003 42.059 -0.057 0.000 0.899 890 L HN 0.348 nan 8.230 nan 0.000 0.433 891 G N -0.372 108.535 108.800 0.177 0.000 2.485 891 G HA2 -0.301 3.652 3.960 -0.011 0.000 0.221 891 G HA3 -0.301 3.652 3.960 -0.011 0.000 0.221 891 G C 1.535 176.600 174.900 0.274 0.000 1.115 891 G CA 1.087 46.325 45.100 0.230 0.000 0.751 891 G HN 0.434 nan 8.290 nan 0.000 0.567 892 L N 0.968 122.316 121.223 0.208 0.000 2.068 892 L HA 0.376 4.709 4.340 -0.011 0.000 0.204 892 L C 2.986 180.110 176.870 0.424 0.000 1.076 892 L CA 1.818 56.804 54.840 0.242 0.000 0.753 892 L CB -0.999 41.090 42.059 0.051 0.000 0.910 892 L HN 0.208 nan 8.230 nan 0.000 0.439 893 A N -0.098 122.914 122.820 0.319 0.000 1.834 893 A HA -0.121 4.192 4.320 -0.011 0.000 0.216 893 A C 2.356 180.272 177.584 0.553 0.000 1.203 893 A CA 1.879 54.158 52.037 0.403 0.000 0.621 893 A CB -1.798 17.357 19.000 0.258 0.000 0.841 893 A HN 0.501 nan 8.150 nan 0.000 0.446 894 G N -1.897 107.273 108.800 0.617 0.000 2.562 894 G HA2 -0.356 3.598 3.960 -0.011 0.000 0.223 894 G HA3 -0.356 3.598 3.960 -0.011 0.000 0.223 894 G C 1.445 176.540 174.900 0.324 0.000 1.102 894 G CA 1.485 46.882 45.100 0.494 0.000 0.742 894 G HN 0.688 nan 8.290 nan 0.000 0.587 895 Y N 0.504 120.979 120.300 0.292 0.000 2.053 895 Y HA -0.187 4.358 4.550 -0.009 0.000 0.277 895 Y C 2.334 178.287 175.900 0.089 0.000 1.159 895 Y CA 2.187 60.380 58.100 0.156 0.000 1.125 895 Y CB -0.270 38.281 38.460 0.152 0.000 0.969 895 Y HN 0.176 nan 8.280 nan 0.000 0.492 896 F N -0.281 119.970 119.950 0.502 0.000 2.270 896 F HA -0.013 4.508 4.527 -0.011 0.000 0.295 896 F C 1.858 177.788 175.800 0.218 0.000 1.087 896 F CA 0.754 58.981 58.000 0.379 0.000 1.365 896 F CB -0.633 38.621 39.000 0.423 0.000 1.056 896 F HN -0.051 nan 8.300 nan 0.000 0.506 897 L N 0.321 121.820 121.223 0.460 0.000 2.700 897 L HA 0.063 4.396 4.340 -0.011 0.000 0.240 897 L C 1.416 178.385 176.870 0.165 0.000 1.162 897 L CA 0.426 55.450 54.840 0.306 0.000 0.874 897 L CB -1.660 40.613 42.059 0.357 0.000 1.001 897 L HN 0.344 nan 8.230 nan 0.000 0.447 898 G N 1.629 110.489 108.800 0.100 0.000 2.424 898 G HA2 -0.265 3.689 3.960 -0.011 0.000 0.290 898 G HA3 -0.265 3.689 3.960 -0.011 0.000 0.290 898 G C 0.164 175.037 174.900 -0.045 0.000 0.912 898 G CA 0.983 46.071 45.100 -0.020 0.000 1.142 898 G HN 0.686 nan 8.290 nan 0.000 0.501 899 Q N -2.105 117.646 119.800 -0.081 0.000 2.707 899 Q HA 0.826 5.159 4.340 -0.011 0.000 0.307 899 Q C -0.343 175.410 176.000 -0.412 0.000 0.934 899 Q CA -1.412 54.262 55.803 -0.215 0.000 0.753 899 Q CB 1.440 30.052 28.738 -0.210 0.000 1.478 899 Q HN 0.261 nan 8.270 nan 0.000 0.458 900 R N -0.439 119.721 120.500 -0.567 0.000 2.867 900 R HA 0.646 4.979 4.340 -0.011 0.000 0.268 900 R C -1.344 174.481 176.300 -0.791 0.000 1.014 900 R CA -0.778 54.959 56.100 -0.605 0.000 0.946 900 R CB 1.729 31.845 30.300 -0.307 0.000 1.208 900 R HN 0.587 nan 8.270 nan 0.000 0.477 901 Y N -0.081 120.242 120.300 0.038 0.000 2.605 901 Y HA 0.565 5.109 4.550 -0.011 0.000 0.343 901 Y C 0.002 175.931 175.900 0.049 0.000 1.036 901 Y CA -1.010 57.156 58.100 0.110 0.000 1.065 901 Y CB 1.869 40.416 38.460 0.144 0.000 1.288 901 Y HN 0.247 nan 8.280 nan 0.000 0.481 902 I N 1.791 122.555 120.570 0.323 0.000 2.563 902 I HA 0.197 4.361 4.170 -0.011 0.000 0.276 902 I C -0.637 175.619 176.117 0.231 0.000 1.074 902 I CA -0.284 61.127 61.300 0.185 0.000 1.124 902 I CB 1.256 39.351 38.000 0.158 0.000 1.225 902 I HN 0.491 nan 8.210 nan 0.000 0.482 903 S N 7.192 122.909 115.700 0.027 0.000 2.422 903 S HA 0.505 4.968 4.470 -0.011 0.000 0.298 903 S C -2.375 172.235 174.600 0.017 0.000 1.118 903 S CA -1.351 56.830 58.200 -0.031 0.000 1.083 903 S CB 0.891 63.940 63.200 -0.253 0.000 0.971 903 S HN 0.177 nan 8.310 nan 0.000 0.478 904 P HA 0.178 nan 4.420 nan 0.000 0.271 904 P C -0.341 177.038 177.300 0.131 0.000 1.233 904 P CA -0.339 62.839 63.100 0.131 0.000 0.789 904 P CB 0.452 32.257 31.700 0.174 0.000 0.951 905 I N 1.799 122.467 120.570 0.162 0.000 2.474 905 I HA 0.130 4.294 4.170 -0.011 0.000 0.287 905 I C 0.169 176.519 176.117 0.389 0.000 1.048 905 I CA -0.135 61.298 61.300 0.221 0.000 1.383 905 I CB -0.280 37.856 38.000 0.226 0.000 1.412 905 I HN 0.394 nan 8.210 nan 0.000 0.531 906 F N 3.678 123.684 119.950 0.093 0.000 3.093 906 F HA -0.320 4.200 4.527 -0.010 0.000 0.283 906 F C 0.310 176.172 175.800 0.103 0.000 0.848 906 F CA 1.288 59.342 58.000 0.090 0.000 1.059 906 F CB -1.441 37.628 39.000 0.116 0.000 1.191 906 F HN 0.651 nan 8.300 nan 0.000 0.514 907 D N -2.047 118.491 120.400 0.230 0.000 3.831 907 D HA 0.556 5.190 4.640 -0.011 0.000 0.327 907 D C 0.744 177.165 176.300 0.202 0.000 1.505 907 D CA 0.960 55.084 54.000 0.206 0.000 0.976 907 D CB 0.570 41.495 40.800 0.207 0.000 1.421 907 D HN 0.422 nan 8.370 nan 0.000 0.624 908 G N 0.344 109.281 108.800 0.228 0.000 2.641 908 G HA2 0.238 4.191 3.960 -0.011 0.000 0.254 908 G HA3 0.238 4.191 3.960 -0.011 0.000 0.254 908 G C 0.463 175.460 174.900 0.163 0.000 1.315 908 G CA 0.822 46.062 45.100 0.232 0.000 0.907 908 G HN 1.283 nan 8.290 nan 0.000 0.572 909 A N -0.129 122.612 122.820 -0.132 0.000 2.664 909 A HA 0.415 4.728 4.320 -0.011 0.000 0.228 909 A C 0.825 178.404 177.584 -0.008 0.000 1.091 909 A CA 2.368 54.292 52.037 -0.189 0.000 0.793 909 A CB -0.180 18.702 19.000 -0.196 0.000 1.003 909 A HN 2.151 nan 8.150 nan 0.000 0.510 910 K N 0.533 120.911 120.400 -0.038 0.000 2.571 910 K HA 0.354 4.668 4.320 -0.011 0.000 0.252 910 K C 0.180 176.730 176.600 -0.083 0.000 0.956 910 K CA -0.235 56.029 56.287 -0.039 0.000 0.822 910 K CB 1.179 33.700 32.500 0.036 0.000 1.286 910 K HN 0.652 nan 8.250 nan 0.000 0.439 911 E N 1.179 121.293 120.200 -0.143 0.000 2.335 911 E HA -0.290 4.054 4.350 -0.011 0.000 0.236 911 E C -1.190 175.343 176.600 -0.111 0.000 1.103 911 E CA 2.425 58.725 56.400 -0.165 0.000 1.010 911 E CB -1.104 28.503 29.700 -0.155 0.000 0.859 911 E HN 0.547 nan 8.360 nan 0.000 0.473 912 P HA -0.190 nan 4.420 nan 0.000 0.211 912 P C 0.964 178.260 177.300 -0.006 0.000 1.179 912 P CA 1.575 64.658 63.100 -0.028 0.000 0.910 912 P CB -0.069 31.630 31.700 -0.002 0.000 0.785 913 E N -0.847 119.372 120.200 0.032 0.000 2.108 913 E HA -0.227 4.116 4.350 -0.011 0.000 0.203 913 E C 1.859 178.487 176.600 0.046 0.000 1.022 913 E CA 1.374 57.828 56.400 0.091 0.000 0.823 913 E CB -0.814 29.011 29.700 0.208 0.000 0.744 913 E HN 0.192 nan 8.360 nan 0.000 0.456 914 I N 1.315 121.864 120.570 -0.036 0.000 2.110 914 I HA -0.246 3.917 4.170 -0.011 0.000 0.236 914 I C 2.173 178.245 176.117 -0.075 0.000 1.068 914 I CA 1.283 62.527 61.300 -0.094 0.000 1.333 914 I CB -0.490 37.404 38.000 -0.177 0.000 1.054 914 I HN -0.107 nan 8.210 nan 0.000 0.402 915 K N 0.540 120.877 120.400 -0.104 0.000 2.259 915 K HA -0.272 4.041 4.320 -0.011 0.000 0.206 915 K C 2.005 178.591 176.600 -0.022 0.000 1.044 915 K CA 1.408 57.639 56.287 -0.092 0.000 0.931 915 K CB -0.378 32.066 32.500 -0.094 0.000 0.726 915 K HN 0.446 nan 8.250 nan 0.000 0.467 916 E N 1.118 121.322 120.200 0.007 0.000 2.004 916 E HA -0.110 4.233 4.350 -0.011 0.000 0.192 916 E C 2.215 178.867 176.600 0.087 0.000 0.987 916 E CA 0.797 57.226 56.400 0.049 0.000 0.822 916 E CB -0.441 29.296 29.700 0.061 0.000 0.779 916 E HN 0.201 nan 8.360 nan 0.000 0.458 917 L N 0.929 122.208 121.223 0.093 0.000 2.054 917 L HA -0.296 4.037 4.340 -0.011 0.000 0.220 917 L C 2.822 179.806 176.870 0.190 0.000 1.081 917 L CA 1.416 56.340 54.840 0.140 0.000 0.780 917 L CB -0.664 41.461 42.059 0.109 0.000 0.893 917 L HN 0.258 nan 8.230 nan 0.000 0.438 918 L N -0.726 120.586 121.223 0.148 0.000 1.997 918 L HA -0.311 4.022 4.340 -0.011 0.000 0.216 918 L C 2.914 180.071 176.870 0.477 0.000 1.074 918 L CA 1.578 56.573 54.840 0.258 0.000 0.763 918 L CB -1.111 40.964 42.059 0.028 0.000 0.890 918 L HN 0.331 nan 8.230 nan 0.000 0.434 919 A N -0.411 122.585 122.820 0.295 0.000 1.896 919 A HA -0.333 3.980 4.320 -0.011 0.000 0.220 919 A C 2.228 179.979 177.584 0.279 0.000 1.206 919 A CA 2.320 54.511 52.037 0.256 0.000 0.647 919 A CB -0.750 18.337 19.000 0.145 0.000 0.828 919 A HN 0.551 nan 8.150 nan 0.000 0.455 920 Q N -1.126 118.815 119.800 0.234 0.000 1.975 920 Q HA -0.182 4.151 4.340 -0.011 0.000 0.205 920 Q C 2.556 178.699 176.000 0.237 0.000 0.990 920 Q CA 1.634 57.563 55.803 0.209 0.000 0.845 920 Q CB -0.484 28.373 28.738 0.199 0.000 0.913 920 Q HN 0.696 nan 8.270 nan 0.000 0.420 921 A N 0.862 123.865 122.820 0.304 0.000 1.915 921 A HA -0.264 4.049 4.320 -0.011 0.000 0.220 921 A C 1.893 179.562 177.584 0.141 0.000 1.198 921 A CA 1.767 53.988 52.037 0.306 0.000 0.647 921 A CB -1.129 18.126 19.000 0.426 0.000 0.825 921 A HN 0.503 nan 8.150 nan 0.000 0.456 922 F N 1.123 121.033 119.950 -0.068 0.000 2.184 922 F HA -0.242 4.278 4.527 -0.012 0.000 0.301 922 F C 2.141 177.822 175.800 -0.199 0.000 1.076 922 F CA 2.078 59.754 58.000 -0.540 0.000 1.295 922 F CB -0.144 38.577 39.000 -0.464 0.000 1.026 922 F HN 0.284 nan 8.300 nan 0.000 0.494 923 E N 0.312 120.488 120.200 -0.040 0.000 2.007 923 E HA -0.168 4.175 4.350 -0.011 0.000 0.194 923 E C 2.559 179.104 176.600 -0.092 0.000 0.999 923 E CA 1.668 58.018 56.400 -0.083 0.000 0.811 923 E CB -1.278 28.441 29.700 0.031 0.000 0.762 923 E HN 0.307 nan 8.360 nan 0.000 0.450 924 V N 1.643 121.585 119.914 0.046 0.000 2.217 924 V HA -0.323 3.790 4.120 -0.011 0.000 0.248 924 V C 2.278 178.472 176.094 0.168 0.000 1.050 924 V CA 2.341 64.743 62.300 0.169 0.000 1.007 924 V CB -1.004 31.049 31.823 0.383 0.000 0.639 924 V HN 0.209 nan 8.190 nan 0.000 0.452 925 Y N 0.216 120.463 120.300 -0.088 0.000 2.002 925 Y HA -0.325 4.218 4.550 -0.013 0.000 0.268 925 Y C 2.268 178.113 175.900 -0.091 0.000 1.177 925 Y CA 2.139 60.151 58.100 -0.147 0.000 1.111 925 Y CB -0.854 37.183 38.460 -0.705 0.000 0.952 925 Y HN 0.216 nan 8.280 nan 0.000 0.491 926 F N -0.160 119.258 119.950 -0.888 0.000 2.135 926 F HA 0.195 4.716 4.527 -0.009 0.000 0.280 926 F C 2.651 178.120 175.800 -0.552 0.000 1.109 926 F CA 1.446 58.839 58.000 -1.011 0.000 1.163 926 F CB -1.115 36.896 39.000 -1.647 0.000 1.062 926 F HN 0.158 nan 8.300 nan 0.000 0.496 927 G N 1.120 109.583 108.800 -0.562 0.000 2.927 927 G HA2 -0.542 3.411 3.960 -0.011 0.000 0.277 927 G HA3 -0.542 3.411 3.960 -0.011 0.000 0.277 927 G C 1.869 176.549 174.900 -0.366 0.000 1.078 927 G CA 1.824 46.679 45.100 -0.408 0.000 0.761 927 G HN 0.439 nan 8.290 nan 0.000 0.670 928 K N -0.307 119.955 120.400 -0.231 0.000 2.034 928 K HA -0.250 4.063 4.320 -0.011 0.000 0.214 928 K C 2.772 179.253 176.600 -0.198 0.000 1.051 928 K CA 1.631 57.829 56.287 -0.149 0.000 0.931 928 K CB -0.182 32.292 32.500 -0.043 0.000 0.715 928 K HN 0.188 nan 8.250 nan 0.000 0.446 929 R N 0.568 120.905 120.500 -0.272 0.000 2.346 929 R HA -0.269 4.065 4.340 -0.011 0.000 0.244 929 R C 2.111 178.322 176.300 -0.149 0.000 1.074 929 R CA 1.923 57.888 56.100 -0.225 0.000 0.910 929 R CB -0.884 29.048 30.300 -0.614 0.000 0.970 929 R HN 0.248 nan 8.270 nan 0.000 0.432 930 K N -0.602 119.628 120.400 -0.282 0.000 2.057 930 K HA -0.031 4.283 4.320 -0.011 0.000 0.206 930 K C 1.961 178.458 176.600 -0.172 0.000 1.050 930 K CA 1.383 57.554 56.287 -0.193 0.000 0.935 930 K CB -0.714 31.664 32.500 -0.203 0.000 0.715 930 K HN 0.439 nan 8.250 nan 0.000 0.439 931 G N 1.054 109.755 108.800 -0.165 0.000 2.740 931 G HA2 -0.184 3.769 3.960 -0.011 0.000 0.208 931 G HA3 -0.184 3.769 3.960 -0.011 0.000 0.208 931 G C 0.670 175.470 174.900 -0.166 0.000 1.148 931 G CA 0.380 45.397 45.100 -0.138 0.000 0.795 931 G HN 0.434 nan 8.290 nan 0.000 0.526 932 E N -1.073 118.987 120.200 -0.234 0.000 2.676 932 E HA 0.294 4.638 4.350 -0.011 0.000 0.222 932 E C 1.265 177.421 176.600 -0.740 0.000 0.968 932 E CA -0.006 56.145 56.400 -0.415 0.000 1.090 932 E CB 0.758 30.271 29.700 -0.311 0.000 1.066 932 E HN 0.243 nan 8.360 nan 0.000 0.496 933 G N 1.775 110.317 108.800 -0.431 0.000 2.246 933 G HA2 -0.293 3.661 3.960 -0.011 0.000 0.273 933 G HA3 -0.293 3.661 3.960 -0.011 0.000 0.273 933 G C -0.260 174.454 174.900 -0.310 0.000 1.055 933 G CA 0.082 44.972 45.100 -0.350 0.000 0.851 933 G HN 0.286 nan 8.290 nan 0.000 0.500 934 F N -0.328 119.578 119.950 -0.073 0.000 2.507 934 F HA 0.620 5.141 4.527 -0.010 0.000 0.325 934 F C 1.151 176.908 175.800 -0.073 0.000 1.116 934 F CA -0.626 57.337 58.000 -0.061 0.000 0.930 934 F CB 2.038 41.000 39.000 -0.064 0.000 1.146 934 F HN 0.213 nan 8.300 nan 0.000 0.447 935 G N 1.183 110.100 108.800 0.196 0.000 3.019 935 G HA2 0.540 4.493 3.960 -0.011 0.000 0.152 935 G HA3 0.540 4.493 3.960 -0.011 0.000 0.152 935 G C -0.757 174.237 174.900 0.155 0.000 1.320 935 G CA -0.493 44.681 45.100 0.124 0.000 1.013 935 G HN 0.556 nan 8.290 nan 0.000 0.593 936 V N -1.030 118.974 119.914 0.151 0.000 2.427 936 V HA 0.501 4.615 4.120 -0.011 0.000 0.286 936 V C -0.527 175.633 176.094 0.110 0.000 1.034 936 V CA -0.981 61.411 62.300 0.154 0.000 0.893 936 V CB 1.248 33.152 31.823 0.135 0.000 0.982 936 V HN 0.521 nan 8.190 nan 0.000 0.452 937 D N 3.453 123.924 120.400 0.118 0.000 2.487 937 D HA 0.058 4.691 4.640 -0.011 0.000 0.243 937 D C 1.181 177.537 176.300 0.093 0.000 1.154 937 D CA 0.583 54.655 54.000 0.120 0.000 0.876 937 D CB 1.137 42.066 40.800 0.216 0.000 1.161 937 D HN 0.811 nan 8.370 nan 0.000 0.478 938 K N 2.979 123.425 120.400 0.077 0.000 2.059 938 K HA -0.266 4.047 4.320 -0.011 0.000 0.212 938 K C 1.761 178.386 176.600 0.041 0.000 1.050 938 K CA 1.186 57.505 56.287 0.054 0.000 0.927 938 K CB 0.159 32.689 32.500 0.049 0.000 0.714 938 K HN 0.367 nan 8.250 nan 0.000 0.447 939 R N 0.870 121.399 120.500 0.049 0.000 2.091 939 R HA -0.137 4.197 4.340 -0.011 0.000 0.238 939 R C 2.076 178.354 176.300 -0.035 0.000 1.136 939 R CA 1.517 57.617 56.100 -0.000 0.000 0.959 939 R CB -0.453 29.840 30.300 -0.013 0.000 0.856 939 R HN 0.464 nan 8.270 nan 0.000 0.437 940 E N 0.033 120.232 120.200 -0.002 0.000 2.114 940 E HA -0.191 4.153 4.350 -0.011 0.000 0.199 940 E C 2.028 178.618 176.600 -0.016 0.000 1.008 940 E CA 1.749 58.141 56.400 -0.013 0.000 0.810 940 E CB -0.117 29.609 29.700 0.044 0.000 0.739 940 E HN 0.060 nan 8.360 nan 0.000 0.456 941 V N 1.158 121.075 119.914 0.004 0.000 2.219 941 V HA -0.353 3.760 4.120 -0.011 0.000 0.248 941 V C 2.345 178.431 176.094 -0.013 0.000 1.053 941 V CA 2.338 64.639 62.300 0.001 0.000 1.009 941 V CB -0.768 31.062 31.823 0.012 0.000 0.636 941 V HN 0.359 nan 8.190 nan 0.000 0.445 942 E N -0.082 120.109 120.200 -0.016 0.000 2.170 942 E HA -0.329 4.014 4.350 -0.011 0.000 0.229 942 E C 2.000 178.579 176.600 -0.035 0.000 1.074 942 E CA 3.100 59.485 56.400 -0.025 0.000 0.930 942 E CB -0.280 29.400 29.700 -0.034 0.000 0.806 942 E HN 0.386 nan 8.360 nan 0.000 0.478 943 V N 0.834 120.717 119.914 -0.051 0.000 2.215 943 V HA -0.329 3.784 4.120 -0.011 0.000 0.246 943 V C 2.608 178.679 176.094 -0.038 0.000 1.047 943 V CA 2.289 64.556 62.300 -0.055 0.000 0.999 943 V CB -0.871 30.907 31.823 -0.074 0.000 0.635 943 V HN 0.372 nan 8.190 nan 0.000 0.450 944 L N -0.546 120.657 121.223 -0.033 0.000 2.058 944 L HA -0.370 3.964 4.340 -0.011 0.000 0.226 944 L C 2.763 179.619 176.870 -0.022 0.000 1.089 944 L CA 2.557 57.381 54.840 -0.026 0.000 0.799 944 L CB -0.674 41.373 42.059 -0.021 0.000 0.900 944 L HN 0.292 nan 8.230 nan 0.000 0.442 945 R N -0.322 120.167 120.500 -0.019 0.000 2.112 945 R HA -0.278 4.056 4.340 -0.011 0.000 0.242 945 R C 2.477 178.766 176.300 -0.018 0.000 1.137 945 R CA 2.360 58.451 56.100 -0.016 0.000 0.944 945 R CB -0.267 30.025 30.300 -0.014 0.000 0.857 945 R HN 0.277 nan 8.270 nan 0.000 0.435 946 R N -0.130 120.357 120.500 -0.022 0.000 2.073 946 R HA -0.129 4.204 4.340 -0.011 0.000 0.234 946 R C 2.166 178.451 176.300 -0.024 0.000 1.134 946 R CA 1.637 57.723 56.100 -0.024 0.000 0.952 946 R CB -0.439 29.844 30.300 -0.028 0.000 0.850 946 R HN 0.314 nan 8.270 nan 0.000 0.433 947 A N 1.826 124.630 122.820 -0.027 0.000 1.915 947 A HA -0.324 3.990 4.320 -0.011 0.000 0.220 947 A C 2.016 179.585 177.584 -0.025 0.000 1.198 947 A CA 2.261 54.281 52.037 -0.027 0.000 0.647 947 A CB -0.902 18.081 19.000 -0.028 0.000 0.825 947 A HN 0.795 nan 8.150 nan 0.000 0.456 948 E N -0.196 119.990 120.200 -0.023 0.000 2.204 948 E HA -0.169 4.174 4.350 -0.011 0.000 0.194 948 E C 1.652 178.240 176.600 -0.020 0.000 0.989 948 E CA 1.166 57.553 56.400 -0.022 0.000 0.824 948 E CB -0.301 29.388 29.700 -0.019 0.000 0.756 948 E HN 0.641 nan 8.360 nan 0.000 0.477 949 K N 0.623 121.012 120.400 -0.019 0.000 2.360 949 K HA -0.016 4.298 4.320 -0.011 0.000 0.201 949 K C 1.439 178.028 176.600 -0.018 0.000 1.046 949 K CA 0.765 57.042 56.287 -0.017 0.000 0.945 949 K CB -0.019 32.471 32.500 -0.017 0.000 0.750 949 K HN 0.284 nan 8.250 nan 0.000 0.464 950 L N 0.023 121.234 121.223 -0.021 0.000 2.741 950 L HA 0.206 4.540 4.340 -0.011 0.000 0.237 950 L C 0.894 177.750 176.870 -0.023 0.000 1.178 950 L CA -0.194 54.633 54.840 -0.021 0.000 0.973 950 L CB 0.038 42.084 42.059 -0.023 0.000 1.255 950 L HN 0.259 nan 8.230 nan 0.000 0.498 951 G N 0.720 109.507 108.800 -0.022 0.000 2.244 951 G HA2 -0.324 3.629 3.960 -0.011 0.000 0.274 951 G HA3 -0.324 3.629 3.960 -0.011 0.000 0.274 951 G C 0.926 175.809 174.900 -0.029 0.000 1.002 951 G CA 0.853 45.938 45.100 -0.024 0.000 0.740 951 G HN 0.422 nan 8.290 nan 0.000 0.516 952 L N -0.861 120.344 121.223 -0.030 0.000 2.044 952 L HA 0.123 4.456 4.340 -0.011 0.000 0.205 952 L C 1.724 178.571 176.870 -0.039 0.000 1.075 952 L CA 1.513 56.331 54.840 -0.035 0.000 0.747 952 L CB -0.600 41.439 42.059 -0.033 0.000 0.903 952 L HN 0.350 nan 8.230 nan 0.000 0.435 953 V N -3.564 116.329 119.914 -0.035 0.000 2.769 953 V HA 0.413 4.527 4.120 -0.011 0.000 0.312 953 V C 0.115 176.191 176.094 -0.030 0.000 1.058 953 V CA -0.821 61.457 62.300 -0.037 0.000 0.952 953 V CB 1.171 32.971 31.823 -0.037 0.000 1.019 953 V HN 0.247 nan 8.190 nan 0.000 0.445 954 T N 1.367 115.903 114.554 -0.029 0.000 2.738 954 T HA 0.440 4.783 4.350 -0.011 0.000 0.294 954 T C -2.216 172.473 174.700 -0.018 0.000 0.914 954 T CA -1.392 60.695 62.100 -0.023 0.000 1.052 954 T CB 0.252 69.107 68.868 -0.022 0.000 0.897 954 T HN 0.677 nan 8.240 nan 0.000 0.522 955 P HA 0.138 nan 4.420 nan 0.000 0.271 955 P C 1.378 178.674 177.300 -0.007 0.000 1.212 955 P CA 1.256 64.349 63.100 -0.011 0.000 0.788 955 P CB -0.080 31.614 31.700 -0.010 0.000 0.865 956 G N -0.486 108.311 108.800 -0.004 0.000 2.257 956 G HA2 -0.312 3.641 3.960 -0.011 0.000 0.267 956 G HA3 -0.312 3.641 3.960 -0.011 0.000 0.267 956 G C 0.318 175.219 174.900 0.002 0.000 0.984 956 G CA 0.358 45.458 45.100 -0.001 0.000 0.626 956 G HN 0.568 nan 8.290 nan 0.000 0.540 957 K N 1.030 121.430 120.400 -0.001 0.000 2.219 957 K HA 0.389 4.702 4.320 -0.011 0.000 0.258 957 K C 1.058 177.664 176.600 0.010 0.000 1.008 957 K CA 0.434 56.722 56.287 0.003 0.000 0.928 957 K CB 0.422 32.919 32.500 -0.005 0.000 0.983 957 K HN 0.270 nan 8.250 nan 0.000 0.484 958 T N 1.628 116.194 114.554 0.020 0.000 2.871 958 T HA 0.037 4.381 4.350 -0.011 0.000 0.296 958 T C -1.851 172.867 174.700 0.031 0.000 0.998 958 T CA -1.274 60.845 62.100 0.032 0.000 1.162 958 T CB 0.520 69.418 68.868 0.049 0.000 0.947 958 T HN 0.259 nan 8.240 nan 0.000 0.536 959 P HA -0.254 nan 4.420 nan 0.000 0.216 959 P C 1.465 178.777 177.300 0.021 0.000 1.167 959 P CA 1.710 64.823 63.100 0.023 0.000 0.933 959 P CB 0.002 31.723 31.700 0.036 0.000 0.793 960 E N -0.351 119.889 120.200 0.067 0.000 2.068 960 E HA -0.349 3.994 4.350 -0.011 0.000 0.207 960 E C 2.011 178.658 176.600 0.078 0.000 1.032 960 E CA 2.018 58.480 56.400 0.103 0.000 0.839 960 E CB -0.512 29.347 29.700 0.266 0.000 0.758 960 E HN 0.044 nan 8.360 nan 0.000 0.457 961 E N 0.785 121.040 120.200 0.092 0.000 2.049 961 E HA -0.258 4.085 4.350 -0.011 0.000 0.198 961 E C 2.145 178.725 176.600 -0.033 0.000 1.007 961 E CA 2.282 58.716 56.400 0.057 0.000 0.809 961 E CB -0.483 29.242 29.700 0.042 0.000 0.749 961 E HN 0.425 nan 8.360 nan 0.000 0.450 962 Q N 0.079 119.860 119.800 -0.032 0.000 2.142 962 Q HA -0.246 4.087 4.340 -0.011 0.000 0.213 962 Q C 2.490 178.428 176.000 -0.102 0.000 1.004 962 Q CA 2.081 57.849 55.803 -0.057 0.000 0.883 962 Q CB -0.554 28.162 28.738 -0.036 0.000 0.939 962 Q HN 0.363 nan 8.270 nan 0.000 0.413 963 L N 0.697 121.855 121.223 -0.108 0.000 1.991 963 L HA -0.318 4.015 4.340 -0.011 0.000 0.221 963 L C 2.637 179.304 176.870 -0.338 0.000 1.079 963 L CA 1.905 56.664 54.840 -0.135 0.000 0.778 963 L CB -0.712 41.276 42.059 -0.119 0.000 0.893 963 L HN 0.264 nan 8.230 nan 0.000 0.437 964 K N 0.254 120.204 120.400 -0.751 0.000 2.015 964 K HA -0.313 4.001 4.320 -0.011 0.000 0.216 964 K C 2.074 178.400 176.600 -0.458 0.000 1.052 964 K CA 2.271 57.810 56.287 -1.246 0.000 0.937 964 K CB -0.235 31.718 32.500 -0.912 0.000 0.719 964 K HN 0.266 nan 8.250 nan 0.000 0.446 965 E N 0.042 120.082 120.200 -0.267 0.000 2.108 965 E HA -0.271 4.072 4.350 -0.011 0.000 0.203 965 E C 2.073 178.604 176.600 -0.116 0.000 1.022 965 E CA 1.750 58.062 56.400 -0.147 0.000 0.823 965 E CB -0.107 29.532 29.700 -0.101 0.000 0.744 965 E HN 0.221 nan 8.360 nan 0.000 0.456 966 L N -0.131 121.032 121.223 -0.100 0.000 1.976 966 L HA -0.140 4.193 4.340 -0.011 0.000 0.209 966 L C 2.187 179.049 176.870 -0.013 0.000 1.071 966 L CA 1.695 56.507 54.840 -0.047 0.000 0.746 966 L CB -0.803 41.245 42.059 -0.018 0.000 0.890 966 L HN 0.224 nan 8.230 nan 0.000 0.432 967 F N -0.132 119.702 119.950 -0.193 0.000 2.085 967 F HA -0.320 4.199 4.527 -0.013 0.000 0.299 967 F C 2.226 177.945 175.800 -0.137 0.000 1.096 967 F CA 1.824 59.737 58.000 -0.146 0.000 1.227 967 F CB -0.434 38.403 39.000 -0.272 0.000 0.983 967 F HN 0.010 nan 8.300 nan 0.000 0.482 968 L N -0.383 120.806 121.223 -0.056 0.000 2.261 968 L HA -0.237 4.097 4.340 -0.011 0.000 0.216 968 L C 1.694 178.441 176.870 -0.206 0.000 1.114 968 L CA 1.257 56.017 54.840 -0.134 0.000 0.777 968 L CB -0.791 41.208 42.059 -0.100 0.000 0.910 968 L HN 0.342 nan 8.230 nan 0.000 0.440 969 Q N -0.381 119.318 119.800 -0.169 0.000 2.280 969 Q HA 0.152 4.486 4.340 -0.011 0.000 0.202 969 Q C 1.456 177.370 176.000 -0.143 0.000 0.903 969 Q CA 0.466 56.166 55.803 -0.172 0.000 0.948 969 Q CB 0.460 29.138 28.738 -0.099 0.000 1.058 969 Q HN 0.519 nan 8.270 nan 0.000 0.493 970 G N 1.604 110.289 108.800 -0.192 0.000 2.189 970 G HA2 -0.305 3.648 3.960 -0.011 0.000 0.267 970 G HA3 -0.305 3.648 3.960 -0.011 0.000 0.267 970 G C 0.011 174.879 174.900 -0.052 0.000 0.975 970 G CA 0.317 45.397 45.100 -0.034 0.000 0.644 970 G HN 0.267 nan 8.290 nan 0.000 0.537 971 K N 0.265 120.636 120.400 -0.049 0.000 2.110 971 K HA 0.713 5.026 4.320 -0.011 0.000 0.263 971 K C 0.357 176.973 176.600 0.028 0.000 0.975 971 K CA -0.181 56.095 56.287 -0.018 0.000 0.895 971 K CB 2.729 35.225 32.500 -0.006 0.000 1.060 971 K HN 0.730 nan 8.250 nan 0.000 0.448 972 V N -1.999 117.944 119.914 0.049 0.000 3.158 972 V HA 0.521 4.635 4.120 -0.011 0.000 0.311 972 V C -0.418 175.727 176.094 0.085 0.000 1.181 972 V CA -1.130 61.251 62.300 0.136 0.000 1.054 972 V CB 1.754 33.652 31.823 0.125 0.000 1.085 972 V HN 0.412 nan 8.190 nan 0.000 0.446 973 V N 2.037 122.024 119.914 0.123 0.000 2.509 973 V HA 0.503 4.616 4.120 -0.011 0.000 0.284 973 V C -0.073 176.047 176.094 0.043 0.000 1.047 973 V CA -0.261 62.063 62.300 0.040 0.000 0.952 973 V CB 1.019 32.855 31.823 0.020 0.000 0.988 973 V HN 0.699 nan 8.190 nan 0.000 0.469 974 L N 4.591 125.779 121.223 -0.057 0.000 2.365 974 L HA 0.576 4.909 4.340 -0.011 0.000 0.273 974 L C -1.287 175.494 176.870 -0.147 0.000 1.000 974 L CA -0.721 54.102 54.840 -0.029 0.000 0.819 974 L CB 2.183 44.232 42.059 -0.017 0.000 1.284 974 L HN 0.527 nan 8.230 nan 0.000 0.418 975 Y N 0.254 120.376 120.300 -0.296 0.000 2.361 975 Y HA 0.234 4.781 4.550 -0.005 0.000 0.332 975 Y C 0.170 175.893 175.900 -0.296 0.000 1.101 975 Y CA -1.016 56.908 58.100 -0.294 0.000 1.137 975 Y CB 1.057 39.329 38.460 -0.314 0.000 1.207 975 Y HN 0.438 nan 8.280 nan 0.000 0.463 976 D N 1.307 121.765 120.400 0.097 0.000 2.325 976 D HA 0.156 4.790 4.640 -0.011 0.000 0.251 976 D C 1.276 177.761 176.300 0.308 0.000 1.196 976 D CA 0.167 54.264 54.000 0.163 0.000 0.866 976 D CB 1.290 42.155 40.800 0.109 0.000 1.101 976 D HN 0.804 nan 8.370 nan 0.000 0.476 977 G N 4.016 113.052 108.800 0.394 0.000 2.501 977 G HA2 -0.251 3.702 3.960 -0.011 0.000 0.220 977 G HA3 -0.251 3.702 3.960 -0.011 0.000 0.220 977 G C 1.338 176.356 174.900 0.197 0.000 1.114 977 G CA 0.579 45.902 45.100 0.370 0.000 0.757 977 G HN 0.511 nan 8.290 nan 0.000 0.559 978 R N -0.073 120.539 120.500 0.186 0.000 2.041 978 R HA 0.054 4.387 4.340 -0.011 0.000 0.221 978 R C 2.897 179.258 176.300 0.102 0.000 1.196 978 R CA 1.550 57.725 56.100 0.125 0.000 0.969 978 R CB -1.115 29.259 30.300 0.123 0.000 0.858 978 R HN 0.343 nan 8.270 nan 0.000 0.444 979 T N -2.037 112.576 114.554 0.098 0.000 3.023 979 T HA 0.126 4.469 4.350 -0.011 0.000 0.266 979 T C 1.709 176.471 174.700 0.103 0.000 1.093 979 T CA 0.980 63.127 62.100 0.077 0.000 1.129 979 T CB 0.107 69.004 68.868 0.048 0.000 0.899 979 T HN 0.553 nan 8.240 nan 0.000 0.491 980 G N 1.401 110.297 108.800 0.160 0.000 2.550 980 G HA2 -0.304 3.649 3.960 -0.011 0.000 0.233 980 G HA3 -0.304 3.649 3.960 -0.011 0.000 0.233 980 G C 0.025 175.057 174.900 0.220 0.000 1.170 980 G CA 0.215 45.447 45.100 0.219 0.000 0.693 980 G HN 0.695 nan 8.290 nan 0.000 0.512 981 E N 3.049 123.317 120.200 0.114 0.000 2.534 981 E HA 0.215 4.558 4.350 -0.011 0.000 0.264 981 E C -1.472 175.117 176.600 -0.018 0.000 0.981 981 E CA -0.405 56.023 56.400 0.046 0.000 0.948 981 E CB 0.777 30.484 29.700 0.013 0.000 0.934 981 E HN 0.414 nan 8.360 nan 0.000 0.459 982 P HA 0.017 nan 4.420 nan 0.000 0.280 982 P C -0.291 176.901 177.300 -0.179 0.000 1.278 982 P CA 0.196 63.089 63.100 -0.345 0.000 0.787 982 P CB 0.612 32.038 31.700 -0.457 0.000 1.163 983 I N 0.259 120.722 120.570 -0.179 0.000 2.330 983 I HA 0.117 4.281 4.170 -0.011 0.000 0.289 983 I C 1.007 177.069 176.117 -0.093 0.000 1.001 983 I CA -0.731 60.507 61.300 -0.103 0.000 1.193 983 I CB 0.673 38.630 38.000 -0.073 0.000 1.345 983 I HN 0.384 nan 8.210 nan 0.000 0.461 984 E N 6.193 126.349 120.200 -0.073 0.000 2.070 984 E HA 0.307 4.650 4.350 -0.011 0.000 0.249 984 E C 0.241 176.811 176.600 -0.051 0.000 1.247 984 E CA -0.175 56.189 56.400 -0.060 0.000 1.009 984 E CB -0.420 29.252 29.700 -0.048 0.000 1.093 984 E HN 0.847 nan 8.360 nan 0.000 0.443 985 G N 2.460 111.227 108.800 -0.054 0.000 2.653 985 G HA2 -0.028 3.926 3.960 -0.011 0.000 0.656 985 G HA3 -0.028 3.926 3.960 -0.011 0.000 0.656 985 G C -3.037 171.838 174.900 -0.041 0.000 1.419 985 G CA -1.195 43.880 45.100 -0.042 0.000 0.862 985 G HN 0.245 nan 8.290 nan 0.000 0.639 986 P HA 0.512 nan 4.420 nan 0.000 0.270 986 P C -0.019 177.270 177.300 -0.018 0.000 1.223 986 P CA -0.353 62.735 63.100 -0.020 0.000 0.785 986 P CB 0.596 32.290 31.700 -0.010 0.000 0.923 987 I N 1.331 121.894 120.570 -0.012 0.000 2.499 987 I HA 0.184 4.347 4.170 -0.011 0.000 0.288 987 I C -0.194 175.908 176.117 -0.026 0.000 1.048 987 I CA -0.924 60.366 61.300 -0.017 0.000 1.062 987 I CB 1.644 39.638 38.000 -0.011 0.000 1.238 987 I HN 0.078 nan 8.210 nan 0.000 0.426 988 V N 8.425 128.314 119.914 -0.043 0.000 2.508 988 V HA 0.496 4.609 4.120 -0.011 0.000 0.281 988 V C -0.027 176.011 176.094 -0.094 0.000 1.041 988 V CA 0.167 62.421 62.300 -0.076 0.000 1.016 988 V CB 1.160 32.914 31.823 -0.115 0.000 0.984 988 V HN 0.590 nan 8.190 nan 0.000 0.478 989 V N 4.724 124.581 119.914 -0.095 0.000 3.105 989 V HA 1.174 5.287 4.120 -0.011 0.000 0.311 989 V C 0.139 176.180 176.094 -0.089 0.000 1.282 989 V CA 0.050 62.300 62.300 -0.082 0.000 1.065 989 V CB 1.354 33.139 31.823 -0.063 0.000 1.136 989 V HN 2.097 nan 8.190 nan 0.000 0.469 990 G N -0.143 108.622 108.800 -0.058 0.000 2.347 990 G HA2 0.169 4.123 3.960 -0.011 0.000 0.341 990 G HA3 0.169 4.123 3.960 -0.011 0.000 0.341 990 G C -1.390 173.536 174.900 0.043 0.000 1.287 990 G CA -0.522 44.571 45.100 -0.012 0.000 0.984 990 G HN 1.031 nan 8.290 nan 0.000 0.526 991 Q N -0.553 119.323 119.800 0.126 0.000 2.293 991 Q HA 0.619 4.952 4.340 -0.011 0.000 0.251 991 Q C 0.184 176.269 176.000 0.141 0.000 0.930 991 Q CA 0.101 56.006 55.803 0.170 0.000 0.893 991 Q CB 1.677 30.564 28.738 0.248 0.000 1.215 991 Q HN 0.656 nan 8.270 nan 0.000 0.425 992 M N 2.714 122.408 119.600 0.156 0.000 2.322 992 M HA 0.358 4.832 4.480 -0.011 0.000 0.286 992 M C -1.915 174.521 176.300 0.226 0.000 1.111 992 M CA -0.728 54.671 55.300 0.164 0.000 0.941 992 M CB 1.380 34.038 32.600 0.098 0.000 1.671 992 M HN 0.677 nan 8.290 nan 0.000 0.470 993 F N 6.657 126.668 119.950 0.102 0.000 2.444 993 F HA 0.600 5.121 4.527 -0.011 0.000 0.360 993 F C -1.385 174.486 175.800 0.117 0.000 1.106 993 F CA -0.153 57.907 58.000 0.100 0.000 1.170 993 F CB 0.372 39.413 39.000 0.068 0.000 1.113 993 F HN 0.470 nan 8.300 nan 0.000 0.521 994 I N 6.637 127.001 120.570 -0.342 0.000 2.797 994 I HA 0.456 4.620 4.170 -0.011 0.000 0.307 994 I C -0.559 175.358 176.117 -0.334 0.000 1.033 994 I CA -1.135 60.017 61.300 -0.245 0.000 1.071 994 I CB 2.289 40.258 38.000 -0.052 0.000 1.255 994 I HN 0.550 nan 8.210 nan 0.000 0.445 995 M N 3.328 122.832 119.600 -0.162 0.000 2.530 995 M HA 0.459 4.932 4.480 -0.011 0.000 0.307 995 M C -0.774 175.553 176.300 0.046 0.000 1.161 995 M CA -0.723 54.543 55.300 -0.056 0.000 0.903 995 M CB 2.530 35.084 32.600 -0.077 0.000 1.711 995 M HN 0.340 nan 8.290 nan 0.000 0.451 996 K N 2.139 122.619 120.400 0.133 0.000 2.130 996 K HA 0.713 5.027 4.320 -0.011 0.000 0.268 996 K C -1.593 175.053 176.600 0.077 0.000 0.983 996 K CA -0.445 55.903 56.287 0.102 0.000 0.893 996 K CB 1.049 33.674 32.500 0.209 0.000 1.066 996 K HN 0.669 nan 8.250 nan 0.000 0.450 997 L N 3.585 124.844 121.223 0.060 0.000 2.334 997 L HA 0.347 4.680 4.340 -0.011 0.000 0.272 997 L C -0.149 176.791 176.870 0.115 0.000 1.020 997 L CA -1.296 53.600 54.840 0.093 0.000 0.812 997 L CB 0.856 42.962 42.059 0.077 0.000 1.264 997 L HN 0.603 nan 8.230 nan 0.000 0.439 998 Y N 0.943 121.269 120.300 0.044 0.000 2.702 998 Y HA -0.066 4.477 4.550 -0.011 0.000 0.336 998 Y C -0.033 175.906 175.900 0.064 0.000 1.235 998 Y CA 0.152 58.279 58.100 0.044 0.000 1.492 998 Y CB 0.226 38.701 38.460 0.025 0.000 1.308 998 Y HN 0.449 nan 8.280 nan 0.000 0.589 999 H N 6.967 125.426 119.070 -1.019 0.000 2.623 999 H HA 0.327 4.876 4.556 -0.011 0.000 0.299 999 H C -0.779 174.061 175.328 -0.814 0.000 1.052 999 H CA -0.900 54.738 56.048 -0.684 0.000 1.231 999 H CB 0.165 29.647 29.762 -0.466 0.000 1.389 999 H HN 0.621 nan 8.280 nan 0.000 0.469 1000 M N 5.908 125.180 119.600 -0.547 0.000 2.238 1000 M HA -0.022 4.452 4.480 -0.011 0.000 0.350 1000 M C 1.653 177.712 176.300 -0.402 0.000 1.321 1000 M CA -0.033 55.166 55.300 -0.168 0.000 1.097 1000 M CB 1.032 33.621 32.600 -0.019 0.000 1.713 1000 M HN 0.675 nan 8.290 nan 0.000 0.455 1001 V N 2.156 121.972 119.914 -0.164 0.000 2.867 1001 V HA -0.251 3.862 4.120 -0.011 0.000 0.260 1001 V C 1.573 177.686 176.094 0.032 0.000 1.099 1001 V CA 2.012 64.271 62.300 -0.070 0.000 1.122 1001 V CB -1.250 30.573 31.823 0.000 0.000 0.708 1001 V HN 0.907 nan 8.190 nan 0.000 0.490 1002 E N 0.751 120.934 120.200 -0.029 0.000 2.216 1002 E HA -0.108 4.236 4.350 -0.011 0.000 0.192 1002 E C 1.484 178.004 176.600 -0.134 0.000 0.988 1002 E CA 1.499 57.884 56.400 -0.024 0.000 0.834 1002 E CB -0.628 29.048 29.700 -0.041 0.000 0.772 1002 E HN 0.590 nan 8.360 nan 0.000 0.479 1003 D N 0.347 120.628 120.400 -0.198 0.000 2.340 1003 D HA 0.035 4.669 4.640 -0.011 0.000 0.220 1003 D C 0.338 176.570 176.300 -0.113 0.000 1.039 1003 D CA 0.057 53.927 54.000 -0.217 0.000 0.866 1003 D CB 0.119 40.747 40.800 -0.287 0.000 0.913 1003 D HN 0.145 nan 8.370 nan 0.000 0.523 1004 K N 0.358 120.749 120.400 -0.014 0.000 2.323 1004 K HA -0.103 4.210 4.320 -0.011 0.000 0.259 1004 K C 0.136 176.953 176.600 0.361 0.000 0.993 1004 K CA 0.076 56.567 56.287 0.340 0.000 0.866 1004 K CB 0.385 33.122 32.500 0.395 0.000 0.997 1004 K HN -0.019 nan 8.250 nan 0.000 0.524 1005 M N 4.138 123.939 119.600 0.335 0.000 2.206 1005 M HA 0.105 4.579 4.480 -0.011 0.000 0.353 1005 M C -1.403 175.001 176.300 0.172 0.000 1.242 1005 M CA -0.221 55.201 55.300 0.202 0.000 1.179 1005 M CB -0.429 32.241 32.600 0.116 0.000 1.374 1005 M HN 0.572 nan 8.290 nan 0.000 0.427 1006 H N 2.784 121.665 119.070 -0.316 0.000 2.505 1006 H HA 0.731 5.280 4.556 -0.011 0.000 0.355 1006 H C -0.418 174.340 175.328 -0.950 0.000 1.179 1006 H CA -0.702 54.668 56.048 -1.131 0.000 1.343 1006 H CB 1.188 30.407 29.762 -0.904 0.000 1.501 1006 H HN 0.660 nan 8.280 nan 0.000 0.569 1007 A N 2.377 124.425 122.820 -1.287 0.000 2.483 1007 A HA 0.352 4.666 4.320 -0.011 0.000 0.298 1007 A C -0.403 177.111 177.584 -0.117 0.000 1.052 1007 A CA -0.732 51.062 52.037 -0.404 0.000 0.978 1007 A CB 0.725 19.646 19.000 -0.132 0.000 1.506 1007 A HN 0.656 nan 8.150 nan 0.000 0.388 1008 R N 1.128 121.600 120.500 -0.046 0.000 2.691 1008 R HA 0.789 5.122 4.340 -0.011 0.000 0.259 1008 R C 0.604 176.942 176.300 0.063 0.000 1.048 1008 R CA 0.364 56.523 56.100 0.098 0.000 1.086 1008 R CB 1.776 32.132 30.300 0.095 0.000 1.166 1008 R HN 0.771 nan 8.270 nan 0.000 0.526 1009 S N -0.573 115.166 115.700 0.065 0.000 3.084 1009 S HA 0.135 4.598 4.470 -0.011 0.000 0.262 1009 S C -0.621 174.007 174.600 0.047 0.000 1.081 1009 S CA 0.565 58.801 58.200 0.060 0.000 0.855 1009 S CB 0.558 63.801 63.200 0.071 0.000 0.857 1009 S HN 0.719 nan 8.310 nan 0.000 0.449 1010 T N -0.536 114.024 114.554 0.009 0.000 3.168 1010 T HA 0.550 4.894 4.350 -0.011 0.000 0.373 1010 T C -0.488 174.133 174.700 -0.131 0.000 1.681 1010 T CA 0.351 62.428 62.100 -0.039 0.000 1.135 1010 T CB 0.703 69.553 68.868 -0.030 0.000 1.477 1010 T HN 0.870 nan 8.240 nan 0.000 0.480 1011 G N 3.292 111.904 108.800 -0.314 0.000 2.619 1011 G HA2 0.636 4.590 3.960 -0.011 0.000 0.146 1011 G HA3 0.636 4.590 3.960 -0.011 0.000 0.146 1011 G C -3.062 171.475 174.900 -0.605 0.000 1.192 1011 G CA -0.428 44.474 45.100 -0.328 0.000 1.063 1011 G HN 0.755 nan 8.290 nan 0.000 0.538 1012 P HA 0.418 nan 4.420 nan 0.000 0.270 1012 P C -1.489 175.458 177.300 -0.588 0.000 1.227 1012 P CA 0.437 63.335 63.100 -0.337 0.000 0.788 1012 P CB 0.176 31.777 31.700 -0.164 0.000 0.926 1013 Y N -1.268 119.036 120.300 0.006 0.000 2.358 1013 Y HA 0.244 4.788 4.550 -0.011 0.000 0.324 1013 Y C 0.368 176.276 175.900 0.014 0.000 1.123 1013 Y CA -0.767 57.340 58.100 0.011 0.000 1.067 1013 Y CB 1.278 39.743 38.460 0.007 0.000 1.230 1013 Y HN 0.176 nan 8.280 nan 0.000 0.429 1014 S N 2.885 118.683 115.700 0.163 0.000 2.810 1014 S HA -0.112 4.352 4.470 -0.011 0.000 0.329 1014 S C 1.346 176.007 174.600 0.101 0.000 1.231 1014 S CA -0.190 58.071 58.200 0.102 0.000 1.042 1014 S CB 0.175 63.426 63.200 0.086 0.000 0.756 1014 S HN 0.752 nan 8.310 nan 0.000 0.504 1015 L N 6.210 127.477 121.223 0.075 0.000 2.263 1015 L HA -0.106 4.228 4.340 -0.011 0.000 0.216 1015 L C 1.394 178.295 176.870 0.051 0.000 1.111 1015 L CA 1.919 56.796 54.840 0.061 0.000 0.773 1015 L CB -0.258 41.828 42.059 0.045 0.000 0.906 1015 L HN 0.863 nan 8.230 nan 0.000 0.439 1016 I N -2.591 118.009 120.570 0.050 0.000 3.649 1016 I HA -0.078 4.085 4.170 -0.011 0.000 0.234 1016 I C 2.310 178.454 176.117 0.045 0.000 1.053 1016 I CA 0.901 62.226 61.300 0.041 0.000 1.538 1016 I CB -1.144 36.878 38.000 0.035 0.000 1.445 1016 I HN 0.162 nan 8.210 nan 0.000 0.464 1017 T N -1.351 113.232 114.554 0.050 0.000 2.802 1017 T HA -0.269 4.074 4.350 -0.011 0.000 0.269 1017 T C 0.934 175.666 174.700 0.053 0.000 1.062 1017 T CA 1.193 63.325 62.100 0.052 0.000 1.133 1017 T CB -0.317 68.586 68.868 0.058 0.000 0.852 1017 T HN 0.421 nan 8.240 nan 0.000 0.485 1018 Q N 0.674 120.511 119.800 0.062 0.000 2.481 1018 Q HA -0.123 4.211 4.340 -0.011 0.000 0.283 1018 Q C -0.627 175.406 176.000 0.055 0.000 1.292 1018 Q CA 0.821 56.647 55.803 0.038 0.000 0.819 1018 Q CB -2.256 26.476 28.738 -0.011 0.000 1.202 1018 Q HN 0.860 nan 8.270 nan 0.000 0.446 1019 Q N -0.268 119.623 119.800 0.152 0.000 2.375 1019 Q HA 0.484 4.818 4.340 -0.011 0.000 0.271 1019 Q C -2.433 173.765 176.000 0.330 0.000 1.074 1019 Q CA -2.245 53.681 55.803 0.205 0.000 0.808 1019 Q CB 1.829 30.640 28.738 0.123 0.000 1.327 1019 Q HN -0.143 nan 8.270 nan 0.000 0.441 1020 P HA -0.194 nan 4.420 nan 0.000 0.258 1020 P C -1.301 176.009 177.300 0.017 0.000 1.128 1020 P CA 0.728 63.906 63.100 0.129 0.000 0.760 1020 P CB 0.171 31.939 31.700 0.113 0.000 0.715 1021 L N 4.427 125.577 121.223 -0.122 0.000 2.362 1021 L HA 0.750 5.083 4.340 -0.011 0.000 0.271 1021 L C 0.255 177.070 176.870 -0.093 0.000 1.002 1021 L CA -0.394 54.413 54.840 -0.056 0.000 0.818 1021 L CB 1.887 43.934 42.059 -0.021 0.000 1.298 1021 L HN 0.386 nan 8.230 nan 0.000 0.420 1022 G N 1.643 110.427 108.800 -0.027 0.000 2.367 1022 G HA2 0.559 4.513 3.960 -0.011 0.000 0.314 1022 G HA3 0.559 4.513 3.960 -0.011 0.000 0.314 1022 G C -0.124 174.750 174.900 -0.043 0.000 1.130 1022 G CA 0.026 45.115 45.100 -0.017 0.000 0.864 1022 G HN 0.940 nan 8.290 nan 0.000 0.486 1023 G N 0.221 108.976 108.800 -0.075 0.000 2.773 1023 G HA2 0.353 4.306 3.960 -0.011 0.000 0.186 1023 G HA3 0.353 4.306 3.960 -0.011 0.000 0.186 1023 G C 0.782 175.627 174.900 -0.092 0.000 1.411 1023 G CA -0.329 44.724 45.100 -0.079 0.000 1.054 1023 G HN 0.520 nan 8.290 nan 0.000 0.579 1024 K N -0.892 119.450 120.400 -0.097 0.000 2.121 1024 K HA 0.232 4.545 4.320 -0.011 0.000 0.203 1024 K C 2.129 178.636 176.600 -0.155 0.000 1.041 1024 K CA 0.745 56.971 56.287 -0.101 0.000 0.969 1024 K CB 0.204 32.666 32.500 -0.063 0.000 0.799 1024 K HN 0.295 nan 8.250 nan 0.000 0.456 1025 A N 0.824 123.554 122.820 -0.151 0.000 2.379 1025 A HA 0.088 4.401 4.320 -0.011 0.000 0.236 1025 A C 0.078 177.511 177.584 -0.251 0.000 1.272 1025 A CA 0.147 52.069 52.037 -0.192 0.000 0.886 1025 A CB 0.230 19.153 19.000 -0.129 0.000 0.962 1025 A HN 0.111 nan 8.150 nan 0.000 0.504 1026 Q N -0.627 119.025 119.800 -0.246 0.000 2.321 1026 Q HA 0.608 4.941 4.340 -0.011 0.000 0.270 1026 Q C -1.087 174.790 176.000 -0.205 0.000 1.032 1026 Q CA -0.626 55.048 55.803 -0.215 0.000 0.784 1026 Q CB 0.723 29.381 28.738 -0.133 0.000 1.264 1026 Q HN 0.255 nan 8.270 nan 0.000 0.448 1027 F N 0.612 120.508 119.950 -0.090 0.000 2.485 1027 F HA 0.565 5.086 4.527 -0.011 0.000 0.327 1027 F C 1.379 177.146 175.800 -0.054 0.000 1.203 1027 F CA 0.832 58.785 58.000 -0.077 0.000 1.295 1027 F CB 0.584 39.549 39.000 -0.058 0.000 1.191 1027 F HN 0.585 nan 8.300 nan 0.000 0.588 1028 G N -0.547 108.428 108.800 0.291 0.000 2.552 1028 G HA2 0.559 4.512 3.960 -0.011 0.000 0.318 1028 G HA3 0.559 4.512 3.960 -0.011 0.000 0.318 1028 G C -0.470 174.494 174.900 0.106 0.000 1.240 1028 G CA -0.508 44.673 45.100 0.135 0.000 1.002 1028 G HN 0.880 nan 8.290 nan 0.000 0.493 1029 G N -1.131 107.709 108.800 0.066 0.000 2.461 1029 G HA2 0.494 4.447 3.960 -0.011 0.000 0.329 1029 G HA3 0.494 4.447 3.960 -0.011 0.000 0.329 1029 G C -0.391 174.543 174.900 0.057 0.000 1.170 1029 G CA -0.437 44.699 45.100 0.059 0.000 0.935 1029 G HN 0.402 nan 8.290 nan 0.000 0.492 1030 Q N 0.324 120.157 119.800 0.056 0.000 2.332 1030 Q HA 0.082 4.416 4.340 -0.011 0.000 0.263 1030 Q C 0.363 176.413 176.000 0.084 0.000 0.979 1030 Q CA 0.001 55.835 55.803 0.052 0.000 0.885 1030 Q CB 1.304 30.076 28.738 0.058 0.000 1.218 1030 Q HN 0.495 nan 8.270 nan 0.000 0.405 1031 R N 3.193 123.719 120.500 0.043 0.000 2.459 1031 R HA 0.066 4.400 4.340 -0.011 0.000 0.301 1031 R C -0.719 175.606 176.300 0.041 0.000 1.286 1031 R CA -0.111 56.016 56.100 0.045 0.000 1.046 1031 R CB -0.453 29.848 30.300 0.001 0.000 1.071 1031 R HN 0.376 nan 8.270 nan 0.000 0.512 1032 F N 3.296 123.229 119.950 -0.028 0.000 2.462 1032 F HA 0.294 4.814 4.527 -0.011 0.000 0.360 1032 F C 0.630 176.393 175.800 -0.061 0.000 1.134 1032 F CA 0.302 58.279 58.000 -0.038 0.000 1.148 1032 F CB 0.641 39.629 39.000 -0.020 0.000 1.147 1032 F HN 0.472 nan 8.300 nan 0.000 0.550 1033 G N 4.178 112.806 108.800 -0.286 0.000 2.667 1033 G HA2 0.213 4.166 3.960 -0.011 0.000 0.310 1033 G HA3 0.213 4.166 3.960 -0.011 0.000 0.310 1033 G C 0.469 175.164 174.900 -0.341 0.000 1.259 1033 G CA -0.220 44.748 45.100 -0.220 0.000 1.019 1033 G HN 0.665 nan 8.290 nan 0.000 0.496 1034 E N -0.612 119.346 120.200 -0.403 0.000 2.086 1034 E HA -0.272 4.071 4.350 -0.011 0.000 0.200 1034 E C 2.105 177.995 176.600 -1.184 0.000 1.012 1034 E CA 1.365 57.324 56.400 -0.736 0.000 0.812 1034 E CB -0.307 28.884 29.700 -0.848 0.000 0.743 1034 E HN 0.416 nan 8.360 nan 0.000 0.453 1035 M N 0.436 119.433 119.600 -1.005 0.000 2.106 1035 M HA -0.186 4.287 4.480 -0.011 0.000 0.259 1035 M C 1.882 177.999 176.300 -0.305 0.000 1.068 1035 M CA 1.846 56.762 55.300 -0.640 0.000 1.100 1035 M CB -0.469 31.909 32.600 -0.371 0.000 1.351 1035 M HN 0.115 nan 8.290 nan 0.000 0.404 1036 E N -0.288 119.660 120.200 -0.419 0.000 2.158 1036 E HA -0.044 4.299 4.350 -0.011 0.000 0.191 1036 E C 2.076 178.566 176.600 -0.183 0.000 0.982 1036 E CA 0.632 56.767 56.400 -0.442 0.000 0.823 1036 E CB -0.391 28.652 29.700 -1.095 0.000 0.766 1036 E HN 0.261 nan 8.360 nan 0.000 0.468 1037 V N 0.211 120.063 119.914 -0.102 0.000 2.261 1037 V HA -0.242 3.871 4.120 -0.011 0.000 0.246 1037 V C 1.801 178.079 176.094 0.305 0.000 1.047 1037 V CA 1.626 64.058 62.300 0.221 0.000 1.015 1037 V CB -0.649 31.270 31.823 0.160 0.000 0.642 1037 V HN 0.319 nan 8.190 nan 0.000 0.446 1038 W N 0.444 121.785 121.300 0.067 0.000 2.301 1038 W HA -0.252 4.401 4.660 -0.011 0.000 0.325 1038 W C 2.823 179.385 176.519 0.073 0.000 1.250 1038 W CA 1.813 59.190 57.345 0.054 0.000 1.261 1038 W CB -1.833 27.641 29.460 0.024 0.000 1.157 1038 W HN 0.305 nan 8.180 nan 0.000 0.473 1039 A N 0.338 123.355 122.820 0.328 0.000 1.859 1039 A HA -0.245 4.068 4.320 -0.011 0.000 0.218 1039 A C 2.238 180.034 177.584 0.353 0.000 1.209 1039 A CA 2.392 54.589 52.037 0.266 0.000 0.639 1039 A CB -1.326 17.799 19.000 0.209 0.000 0.835 1039 A HN 0.264 nan 8.150 nan 0.000 0.450 1040 L N -0.740 120.680 121.223 0.328 0.000 1.978 1040 L HA -0.321 4.012 4.340 -0.011 0.000 0.218 1040 L C 2.778 179.833 176.870 0.307 0.000 1.075 1040 L CA 2.280 57.316 54.840 0.327 0.000 0.767 1040 L CB -0.838 41.395 42.059 0.290 0.000 0.890 1040 L HN 0.580 nan 8.230 nan 0.000 0.434 1041 E N -0.235 120.116 120.200 0.251 0.000 2.055 1041 E HA -0.346 3.997 4.350 -0.011 0.000 0.209 1041 E C 2.148 178.844 176.600 0.160 0.000 1.036 1041 E CA 1.438 57.949 56.400 0.184 0.000 0.849 1041 E CB -0.389 29.418 29.700 0.177 0.000 0.767 1041 E HN 0.572 nan 8.360 nan 0.000 0.461 1042 A N 0.900 123.802 122.820 0.137 0.000 1.944 1042 A HA -0.290 4.023 4.320 -0.011 0.000 0.222 1042 A C 2.057 179.655 177.584 0.024 0.000 1.237 1042 A CA 2.271 54.330 52.037 0.036 0.000 0.668 1042 A CB -1.266 17.716 19.000 -0.029 0.000 0.830 1042 A HN 0.367 nan 8.150 nan 0.000 0.471 1043 Y N -1.650 118.683 120.300 0.055 0.000 2.163 1043 Y HA 0.188 4.731 4.550 -0.011 0.000 0.288 1043 Y C 2.237 178.161 175.900 0.041 0.000 1.136 1043 Y CA 1.475 59.603 58.100 0.047 0.000 1.147 1043 Y CB -0.242 38.251 38.460 0.055 0.000 0.987 1043 Y HN 0.615 nan 8.280 nan 0.000 0.509 1044 G N -1.166 107.767 108.800 0.221 0.000 2.154 1044 G HA2 -0.133 3.820 3.960 -0.011 0.000 0.186 1044 G HA3 -0.133 3.820 3.960 -0.011 0.000 0.186 1044 G C 0.208 175.175 174.900 0.111 0.000 1.000 1044 G CA -0.223 44.954 45.100 0.129 0.000 0.664 1044 G HN 0.598 nan 8.290 nan 0.000 0.513 1045 A N 0.554 123.449 122.820 0.125 0.000 3.048 1045 A HA 0.779 5.092 4.320 -0.011 0.000 0.264 1045 A C 1.912 179.530 177.584 0.058 0.000 1.796 1045 A CA 1.113 53.202 52.037 0.086 0.000 1.445 1045 A CB -0.585 18.445 19.000 0.051 0.000 1.074 1045 A HN 1.860 nan 8.150 nan 0.000 0.621 1046 A N 1.570 124.401 122.820 0.018 0.000 1.863 1046 A HA -0.271 4.043 4.320 -0.011 0.000 0.218 1046 A C 2.054 179.566 177.584 -0.119 0.000 1.233 1046 A CA 2.051 54.038 52.037 -0.083 0.000 0.655 1046 A CB -1.158 17.726 19.000 -0.193 0.000 0.839 1046 A HN 0.811 nan 8.150 nan 0.000 0.454 1047 H N -0.307 118.759 119.070 -0.006 0.000 2.267 1047 H HA -0.165 4.384 4.556 -0.011 0.000 0.291 1047 H C 2.412 177.719 175.328 -0.035 0.000 1.094 1047 H CA 2.291 58.327 56.048 -0.021 0.000 1.227 1047 H CB -1.189 28.562 29.762 -0.018 0.000 1.351 1047 H HN 0.592 nan 8.280 nan 0.000 0.483 1048 T N 2.107 116.716 114.554 0.091 0.000 2.570 1048 T HA -0.199 4.145 4.350 -0.011 0.000 0.266 1048 T C 2.256 176.924 174.700 -0.053 0.000 1.071 1048 T CA 1.477 63.584 62.100 0.013 0.000 1.172 1048 T CB -0.824 68.050 68.868 0.010 0.000 0.864 1048 T HN 0.082 nan 8.240 nan 0.000 0.421 1049 L N 1.278 122.479 121.223 -0.036 0.000 2.051 1049 L HA -0.181 4.153 4.340 -0.011 0.000 0.214 1049 L C 2.583 179.389 176.870 -0.106 0.000 1.076 1049 L CA 1.949 56.747 54.840 -0.069 0.000 0.758 1049 L CB -1.010 41.062 42.059 0.022 0.000 0.890 1049 L HN 0.390 nan 8.230 nan 0.000 0.433 1050 Q N -0.262 119.493 119.800 -0.075 0.000 1.891 1050 Q HA -0.295 4.038 4.340 -0.011 0.000 0.214 1050 Q C 2.015 177.966 176.000 -0.082 0.000 0.995 1050 Q CA 2.348 58.105 55.803 -0.077 0.000 0.866 1050 Q CB -0.357 28.335 28.738 -0.077 0.000 0.931 1050 Q HN 0.719 nan 8.270 nan 0.000 0.422 1051 E N 0.119 120.289 120.200 -0.049 0.000 2.169 1051 E HA -0.336 4.007 4.350 -0.011 0.000 0.202 1051 E C 1.897 178.438 176.600 -0.100 0.000 1.016 1051 E CA 1.854 58.225 56.400 -0.048 0.000 0.817 1051 E CB -0.614 29.075 29.700 -0.017 0.000 0.736 1051 E HN 0.415 nan 8.360 nan 0.000 0.462 1052 M N 1.267 120.771 119.600 -0.161 0.000 2.110 1052 M HA -0.166 4.308 4.480 -0.011 0.000 0.257 1052 M C 2.021 178.142 176.300 -0.298 0.000 1.071 1052 M CA 1.861 56.977 55.300 -0.306 0.000 1.096 1052 M CB -0.410 31.880 32.600 -0.516 0.000 1.300 1052 M HN 0.295 nan 8.290 nan 0.000 0.411 1053 L N -1.327 119.749 121.223 -0.246 0.000 2.375 1053 L HA 0.005 4.339 4.340 -0.011 0.000 0.215 1053 L C 1.990 178.811 176.870 -0.081 0.000 1.108 1053 L CA 0.964 55.711 54.840 -0.155 0.000 0.830 1053 L CB -1.107 40.887 42.059 -0.109 0.000 0.959 1053 L HN 0.519 nan 8.230 nan 0.000 0.457 1054 T N -1.599 112.908 114.554 -0.078 0.000 3.139 1054 T HA 0.039 4.382 4.350 -0.011 0.000 0.226 1054 T C 1.802 176.476 174.700 -0.044 0.000 1.010 1054 T CA 0.161 62.229 62.100 -0.054 0.000 1.487 1054 T CB -0.738 68.097 68.868 -0.055 0.000 1.204 1054 T HN 0.023 nan 8.240 nan 0.000 0.437 1055 L N 1.180 122.380 121.223 -0.038 0.000 1.956 1055 L HA -0.130 4.203 4.340 -0.011 0.000 0.216 1055 L C 2.854 179.717 176.870 -0.011 0.000 1.073 1055 L CA 1.865 56.692 54.840 -0.021 0.000 0.762 1055 L CB -0.883 41.170 42.059 -0.010 0.000 0.889 1055 L HN 0.298 nan 8.230 nan 0.000 0.433 1056 K N -0.851 119.536 120.400 -0.021 0.000 2.520 1056 K HA -0.117 4.196 4.320 -0.011 0.000 0.197 1056 K C 1.675 178.284 176.600 0.016 0.000 1.043 1056 K CA 1.073 57.356 56.287 -0.006 0.000 0.944 1056 K CB 0.028 32.497 32.500 -0.051 0.000 0.770 1056 K HN 0.319 nan 8.250 nan 0.000 0.480 1057 S N -0.604 115.096 115.700 0.001 0.000 4.948 1057 S HA -0.025 4.438 4.470 -0.011 0.000 0.154 1057 S C 0.489 175.094 174.600 0.008 0.000 1.026 1057 S CA -0.198 58.020 58.200 0.030 0.000 1.308 1057 S CB -0.210 62.996 63.200 0.010 0.000 1.915 1057 S HN 0.107 nan 8.310 nan 0.000 0.680 1058 D N 1.616 122.011 120.400 -0.008 0.000 2.346 1058 D HA 0.207 4.841 4.640 -0.011 0.000 0.206 1058 D C -0.122 176.158 176.300 -0.033 0.000 1.001 1058 D CA 0.250 54.243 54.000 -0.011 0.000 0.871 1058 D CB 0.107 40.917 40.800 0.017 0.000 0.943 1058 D HN 0.382 nan 8.370 nan 0.000 0.518 1059 D N 0.360 120.735 120.400 -0.042 0.000 2.352 1059 D HA 0.053 4.686 4.640 -0.011 0.000 0.245 1059 D C 1.395 177.653 176.300 -0.069 0.000 1.224 1059 D CA -0.129 53.844 54.000 -0.045 0.000 0.879 1059 D CB 0.200 40.975 40.800 -0.041 0.000 1.057 1059 D HN 0.058 nan 8.370 nan 0.000 0.491 1060 I N 2.624 123.149 120.570 -0.075 0.000 2.071 1060 I HA -0.243 3.921 4.170 -0.011 0.000 0.214 1060 I C 2.299 178.371 176.117 -0.075 0.000 1.020 1060 I CA 0.947 62.184 61.300 -0.105 0.000 1.334 1060 I CB -0.470 37.486 38.000 -0.073 0.000 1.073 1060 I HN 0.538 nan 8.210 nan 0.000 0.388 1061 E N 0.857 121.033 120.200 -0.040 0.000 2.200 1061 E HA -0.305 4.038 4.350 -0.011 0.000 0.211 1061 E C 2.010 178.602 176.600 -0.013 0.000 1.048 1061 E CA 1.866 58.255 56.400 -0.019 0.000 0.851 1061 E CB -0.428 29.269 29.700 -0.005 0.000 0.747 1061 E HN 0.644 nan 8.360 nan 0.000 0.462 1062 G N 1.520 110.308 108.800 -0.020 0.000 2.679 1062 G HA2 -0.417 3.537 3.960 -0.011 0.000 0.217 1062 G HA3 -0.417 3.537 3.960 -0.011 0.000 0.217 1062 G C 1.436 176.339 174.900 0.005 0.000 1.267 1062 G CA 2.030 47.124 45.100 -0.010 0.000 0.799 1062 G HN 0.487 nan 8.290 nan 0.000 0.606 1063 R N 0.559 121.054 120.500 -0.008 0.000 2.159 1063 R HA -0.229 4.105 4.340 -0.011 0.000 0.249 1063 R C 2.136 178.477 176.300 0.069 0.000 1.136 1063 R CA 2.008 58.121 56.100 0.021 0.000 0.951 1063 R CB -1.312 28.975 30.300 -0.021 0.000 0.876 1063 R HN 0.433 nan 8.270 nan 0.000 0.440 1064 N N 1.624 120.349 118.700 0.041 0.000 2.025 1064 N HA -0.192 4.541 4.740 -0.011 0.000 0.194 1064 N C 2.115 177.698 175.510 0.122 0.000 1.044 1064 N CA 1.751 54.854 53.050 0.087 0.000 0.851 1064 N CB -0.486 38.026 38.487 0.042 0.000 1.036 1064 N HN 0.442 nan 8.380 nan 0.000 0.422 1065 A N 1.603 124.463 122.820 0.067 0.000 1.917 1065 A HA -0.103 4.210 4.320 -0.011 0.000 0.219 1065 A C 2.498 180.118 177.584 0.060 0.000 1.182 1065 A CA 2.242 54.311 52.037 0.052 0.000 0.633 1065 A CB -0.949 18.067 19.000 0.027 0.000 0.819 1065 A HN 0.409 nan 8.150 nan 0.000 0.448 1066 A N -1.048 121.813 122.820 0.069 0.000 1.834 1066 A HA -0.135 4.179 4.320 -0.011 0.000 0.216 1066 A C 2.062 179.709 177.584 0.104 0.000 1.203 1066 A CA 1.893 53.972 52.037 0.070 0.000 0.621 1066 A CB -1.230 17.814 19.000 0.072 0.000 0.841 1066 A HN 0.773 nan 8.150 nan 0.000 0.446 1067 Y N 0.501 120.809 120.300 0.014 0.000 1.938 1067 Y HA -0.364 4.179 4.550 -0.011 0.000 0.253 1067 Y C 2.317 178.225 175.900 0.014 0.000 1.163 1067 Y CA 2.616 60.728 58.100 0.020 0.000 1.086 1067 Y CB -1.101 37.377 38.460 0.030 0.000 0.928 1067 Y HN 0.565 nan 8.280 nan 0.000 0.493 1068 E N -0.384 119.819 120.200 0.005 0.000 2.119 1068 E HA -0.401 3.942 4.350 -0.011 0.000 0.221 1068 E C 2.283 178.811 176.600 -0.121 0.000 1.062 1068 E CA 1.985 58.327 56.400 -0.097 0.000 0.894 1068 E CB -0.677 29.039 29.700 0.027 0.000 0.785 1068 E HN 0.611 nan 8.360 nan 0.000 0.472 1069 A N 0.728 123.517 122.820 -0.051 0.000 1.881 1069 A HA -0.301 4.013 4.320 -0.011 0.000 0.219 1069 A C 2.210 179.748 177.584 -0.078 0.000 1.215 1069 A CA 2.442 54.450 52.037 -0.047 0.000 0.648 1069 A CB -1.161 17.828 19.000 -0.020 0.000 0.832 1069 A HN 0.398 nan 8.150 nan 0.000 0.455 1070 I N -0.238 120.278 120.570 -0.090 0.000 2.118 1070 I HA -0.299 3.864 4.170 -0.011 0.000 0.241 1070 I C 2.314 178.341 176.117 -0.150 0.000 1.070 1070 I CA 1.276 62.516 61.300 -0.101 0.000 1.327 1070 I CB -0.665 37.280 38.000 -0.092 0.000 1.034 1070 I HN 0.284 nan 8.210 nan 0.000 0.405 1071 I N 1.432 121.841 120.570 -0.268 0.000 2.068 1071 I HA -0.294 3.870 4.170 -0.011 0.000 0.238 1071 I C 2.232 178.259 176.117 -0.150 0.000 1.046 1071 I CA 1.844 62.977 61.300 -0.278 0.000 1.306 1071 I CB -1.304 36.452 38.000 -0.406 0.000 1.023 1071 I HN 0.344 nan 8.210 nan 0.000 0.399 1072 K N 1.207 121.535 120.400 -0.120 0.000 2.616 1072 K HA 0.017 4.330 4.320 -0.011 0.000 0.192 1072 K C 1.181 177.745 176.600 -0.059 0.000 1.031 1072 K CA 0.805 57.048 56.287 -0.073 0.000 1.004 1072 K CB -0.762 31.704 32.500 -0.055 0.000 0.810 1072 K HN 0.587 nan 8.250 nan 0.000 0.497 1073 G N 2.068 110.827 108.800 -0.069 0.000 2.249 1073 G HA2 -0.290 3.664 3.960 -0.011 0.000 0.273 1073 G HA3 -0.290 3.664 3.960 -0.011 0.000 0.273 1073 G C -0.312 174.564 174.900 -0.041 0.000 1.036 1073 G CA 0.364 45.433 45.100 -0.051 0.000 0.824 1073 G HN 0.477 nan 8.290 nan 0.000 0.504 1074 E N -0.597 119.577 120.200 -0.044 0.000 2.254 1074 E HA 0.431 4.775 4.350 -0.011 0.000 0.258 1074 E C 0.185 176.766 176.600 -0.031 0.000 1.033 1074 E CA -0.965 55.415 56.400 -0.034 0.000 0.893 1074 E CB 0.935 30.616 29.700 -0.031 0.000 1.204 1074 E HN 0.170 nan 8.360 nan 0.000 0.425 1075 D N -0.114 120.270 120.400 -0.027 0.000 2.356 1075 D HA 0.123 4.756 4.640 -0.011 0.000 0.258 1075 D C -0.847 175.439 176.300 -0.023 0.000 1.279 1075 D CA -0.165 53.818 54.000 -0.028 0.000 1.016 1075 D CB 0.927 41.709 40.800 -0.029 0.000 1.107 1075 D HN -0.020 nan 8.370 nan 0.000 0.544 1076 V N 1.703 121.603 119.914 -0.023 0.000 2.483 1076 V HA 0.340 4.453 4.120 -0.011 0.000 0.295 1076 V C -1.735 174.353 176.094 -0.011 0.000 1.035 1076 V CA -1.217 61.074 62.300 -0.015 0.000 0.896 1076 V CB 1.182 32.997 31.823 -0.013 0.000 0.986 1076 V HN 0.554 nan 8.190 nan 0.000 0.447 1077 P HA 0.254 nan 4.420 nan 0.000 0.275 1077 P C -0.417 176.884 177.300 0.002 0.000 1.270 1077 P CA -0.471 62.628 63.100 -0.002 0.000 0.791 1077 P CB 0.526 32.227 31.700 0.001 0.000 1.089 1078 E N 0.248 120.450 120.200 0.002 0.000 2.250 1078 E HA 0.350 4.693 4.350 -0.011 0.000 0.269 1078 E C -2.165 174.432 176.600 -0.005 0.000 1.018 1078 E CA -1.933 54.472 56.400 0.008 0.000 0.873 1078 E CB -0.321 29.385 29.700 0.011 0.000 1.134 1078 E HN 0.268 nan 8.360 nan 0.000 0.403 1079 P HA 0.066 nan 4.420 nan 0.000 0.276 1079 P C -0.225 177.044 177.300 -0.051 0.000 1.235 1079 P CA 0.014 63.096 63.100 -0.030 0.000 0.772 1079 P CB 0.776 32.456 31.700 -0.034 0.000 0.871 1080 S N 1.939 117.606 115.700 -0.056 0.000 2.448 1080 S HA 0.447 4.911 4.470 -0.011 0.000 0.271 1080 S C 0.117 174.653 174.600 -0.106 0.000 1.145 1080 S CA -0.600 57.554 58.200 -0.076 0.000 1.022 1080 S CB -0.067 63.098 63.200 -0.057 0.000 1.202 1080 S HN 0.116 nan 8.310 nan 0.000 0.479 1081 V N 3.188 123.030 119.914 -0.120 0.000 2.546 1081 V HA 0.402 4.515 4.120 -0.011 0.000 0.284 1081 V C -2.423 173.643 176.094 -0.047 0.000 1.050 1081 V CA -1.702 60.512 62.300 -0.143 0.000 0.981 1081 V CB 0.777 32.493 31.823 -0.178 0.000 0.990 1081 V HN 0.670 nan 8.190 nan 0.000 0.474 1082 P HA 0.186 nan 4.420 nan 0.000 0.276 1082 P C 0.643 178.005 177.300 0.103 0.000 1.235 1082 P CA -0.240 62.880 63.100 0.034 0.000 0.772 1082 P CB 0.716 32.439 31.700 0.038 0.000 0.871 1083 E N 2.020 122.263 120.200 0.073 0.000 2.136 1083 E HA -0.276 4.068 4.350 -0.011 0.000 0.208 1083 E C 1.966 178.634 176.600 0.114 0.000 1.035 1083 E CA 2.281 58.737 56.400 0.093 0.000 0.838 1083 E CB -1.097 28.637 29.700 0.056 0.000 0.748 1083 E HN 0.605 nan 8.360 nan 0.000 0.459 1084 S N 0.491 116.252 115.700 0.101 0.000 2.393 1084 S HA -0.283 4.180 4.470 -0.011 0.000 0.234 1084 S C 2.034 176.703 174.600 0.115 0.000 1.064 1084 S CA 1.848 60.107 58.200 0.097 0.000 1.088 1084 S CB -0.866 62.394 63.200 0.100 0.000 0.939 1084 S HN 0.346 nan 8.310 nan 0.000 0.448 1085 F N 3.017 122.974 119.950 0.011 0.000 2.098 1085 F HA 0.151 4.672 4.527 -0.011 0.000 0.294 1085 F C 2.528 178.340 175.800 0.019 0.000 1.107 1085 F CA 1.146 59.149 58.000 0.006 0.000 1.234 1085 F CB -0.397 38.592 39.000 -0.018 0.000 1.002 1085 F HN 0.063 nan 8.300 nan 0.000 0.472 1086 R N 0.389 121.037 120.500 0.245 0.000 2.122 1086 R HA -0.214 4.120 4.340 -0.011 0.000 0.236 1086 R C 2.119 178.465 176.300 0.077 0.000 1.129 1086 R CA 2.132 58.327 56.100 0.158 0.000 0.925 1086 R CB -1.464 28.986 30.300 0.250 0.000 0.850 1086 R HN 0.270 nan 8.270 nan 0.000 0.431 1087 V N 1.947 121.912 119.914 0.085 0.000 2.236 1087 V HA -0.329 3.784 4.120 -0.011 0.000 0.255 1087 V C 2.401 178.476 176.094 -0.031 0.000 1.068 1087 V CA 2.187 64.513 62.300 0.043 0.000 1.044 1087 V CB -0.781 31.064 31.823 0.037 0.000 0.653 1087 V HN 0.307 nan 8.190 nan 0.000 0.448 1088 L N 0.331 121.489 121.223 -0.108 0.000 1.976 1088 L HA -0.218 4.115 4.340 -0.011 0.000 0.223 1088 L C 2.386 179.139 176.870 -0.196 0.000 1.081 1088 L CA 2.474 57.209 54.840 -0.175 0.000 0.784 1088 L CB -1.090 40.796 42.059 -0.288 0.000 0.896 1088 L HN 0.184 nan 8.230 nan 0.000 0.438 1089 V N 0.163 119.880 119.914 -0.329 0.000 2.252 1089 V HA -0.418 3.695 4.120 -0.011 0.000 0.255 1089 V C 2.783 178.849 176.094 -0.046 0.000 1.071 1089 V CA 2.426 64.608 62.300 -0.196 0.000 1.050 1089 V CB -1.094 30.663 31.823 -0.110 0.000 0.654 1089 V HN 0.475 nan 8.190 nan 0.000 0.448 1090 K N 0.063 120.467 120.400 0.006 0.000 2.001 1090 K HA -0.213 4.100 4.320 -0.011 0.000 0.214 1090 K C 2.087 178.673 176.600 -0.022 0.000 1.050 1090 K CA 1.929 58.216 56.287 -0.001 0.000 0.934 1090 K CB -0.723 31.775 32.500 -0.003 0.000 0.718 1090 K HN 0.660 nan 8.250 nan 0.000 0.443 1091 E N 0.761 120.943 120.200 -0.029 0.000 2.113 1091 E HA -0.243 4.101 4.350 -0.011 0.000 0.210 1091 E C 2.210 178.794 176.600 -0.027 0.000 1.040 1091 E CA 1.762 58.146 56.400 -0.027 0.000 0.847 1091 E CB -0.407 29.275 29.700 -0.031 0.000 0.755 1091 E HN 0.184 nan 8.360 nan 0.000 0.459 1092 L N 0.898 122.098 121.223 -0.037 0.000 1.971 1092 L HA -0.303 4.030 4.340 -0.011 0.000 0.215 1092 L C 2.768 179.627 176.870 -0.018 0.000 1.072 1092 L CA 1.663 56.486 54.840 -0.029 0.000 0.758 1092 L CB -0.782 41.252 42.059 -0.042 0.000 0.889 1092 L HN 0.195 nan 8.230 nan 0.000 0.433 1093 Q N 0.023 119.814 119.800 -0.015 0.000 2.077 1093 Q HA -0.270 4.063 4.340 -0.011 0.000 0.206 1093 Q C 2.396 178.388 176.000 -0.013 0.000 0.989 1093 Q CA 1.816 57.614 55.803 -0.009 0.000 0.853 1093 Q CB -0.519 28.215 28.738 -0.007 0.000 0.907 1093 Q HN 0.618 nan 8.270 nan 0.000 0.418 1094 A N 0.958 123.768 122.820 -0.017 0.000 2.024 1094 A HA -0.131 4.183 4.320 -0.011 0.000 0.220 1094 A C 1.879 179.456 177.584 -0.012 0.000 1.164 1094 A CA 1.059 53.086 52.037 -0.016 0.000 0.643 1094 A CB -0.464 18.526 19.000 -0.017 0.000 0.806 1094 A HN 0.303 nan 8.150 nan 0.000 0.451 1095 L N -1.068 120.148 121.223 -0.011 0.000 2.653 1095 L HA 0.308 4.641 4.340 -0.011 0.000 0.232 1095 L C 1.085 177.952 176.870 -0.006 0.000 1.169 1095 L CA 0.330 55.165 54.840 -0.008 0.000 0.951 1095 L CB -0.218 41.836 42.059 -0.008 0.000 1.181 1095 L HN 0.525 nan 8.230 nan 0.000 0.460 1096 A N 0.668 123.485 122.820 -0.006 0.000 2.648 1096 A HA -0.178 4.136 4.320 -0.011 0.000 0.297 1096 A C -0.285 177.299 177.584 -0.001 0.000 1.467 1096 A CA 0.548 52.583 52.037 -0.003 0.000 0.731 1096 A CB -2.085 16.914 19.000 -0.002 0.000 1.085 1096 A HN 0.339 nan 8.150 nan 0.000 0.437 1097 L N 0.489 121.711 121.223 -0.001 0.000 2.555 1097 L HA 0.375 4.708 4.340 -0.011 0.000 0.264 1097 L C -0.200 176.673 176.870 0.006 0.000 0.972 1097 L CA -0.683 54.157 54.840 0.002 0.000 0.876 1097 L CB 1.764 43.822 42.059 -0.002 0.000 1.216 1097 L HN 0.548 nan 8.230 nan 0.000 0.415 1098 D N 2.793 123.200 120.400 0.012 0.000 2.425 1098 D HA 0.326 4.960 4.640 -0.011 0.000 0.247 1098 D C -0.706 175.609 176.300 0.024 0.000 1.147 1098 D CA 0.121 54.134 54.000 0.021 0.000 0.879 1098 D CB 1.197 42.011 40.800 0.023 0.000 1.179 1098 D HN 0.142 nan 8.370 nan 0.000 0.456 1099 V N 3.299 123.233 119.914 0.034 0.000 2.487 1099 V HA 0.451 4.564 4.120 -0.011 0.000 0.298 1099 V C -0.381 175.751 176.094 0.062 0.000 1.028 1099 V CA -0.929 61.393 62.300 0.037 0.000 0.860 1099 V CB 1.290 33.121 31.823 0.013 0.000 0.991 1099 V HN 0.513 nan 8.190 nan 0.000 0.427 1100 Q N 2.996 122.834 119.800 0.063 0.000 2.327 1100 Q HA 0.526 4.859 4.340 -0.011 0.000 0.270 1100 Q C -0.215 175.827 176.000 0.069 0.000 1.022 1100 Q CA -0.333 55.510 55.803 0.066 0.000 0.773 1100 Q CB 1.788 30.555 28.738 0.049 0.000 1.251 1100 Q HN 0.989 nan 8.270 nan 0.000 0.457 1101 T N 2.507 117.105 114.554 0.073 0.000 2.794 1101 T HA 0.648 4.991 4.350 -0.011 0.000 0.296 1101 T C 0.182 174.900 174.700 0.030 0.000 0.949 1101 T CA -0.496 61.636 62.100 0.054 0.000 1.101 1101 T CB 0.234 69.124 68.868 0.037 0.000 0.905 1101 T HN 0.468 nan 8.240 nan 0.000 0.516 1102 L N 2.186 123.421 121.223 0.021 0.000 2.309 1102 L HA 0.666 4.999 4.340 -0.011 0.000 0.261 1102 L C -0.147 176.725 176.870 0.004 0.000 1.021 1102 L CA -1.442 53.406 54.840 0.014 0.000 0.823 1102 L CB 1.917 43.987 42.059 0.018 0.000 1.366 1102 L HN 0.741 nan 8.230 nan 0.000 0.423 1103 D N -1.246 119.155 120.400 0.003 0.000 2.589 1103 D HA 0.289 4.923 4.640 -0.011 0.000 0.268 1103 D C 0.426 176.726 176.300 0.000 0.000 1.182 1103 D CA -0.519 53.480 54.000 -0.002 0.000 1.087 1103 D CB 0.687 41.485 40.800 -0.003 0.000 1.186 1103 D HN 0.475 nan 8.370 nan 0.000 0.620 1104 E N -0.338 119.861 120.200 -0.001 0.000 2.031 1104 E HA -0.099 4.244 4.350 -0.011 0.000 0.193 1104 E C 1.450 178.051 176.600 0.002 0.000 0.994 1104 E CA 1.036 57.436 56.400 0.000 0.000 0.800 1104 E CB -0.287 29.412 29.700 -0.001 0.000 0.752 1104 E HN 0.265 nan 8.360 nan 0.000 0.447 1105 K N 1.124 121.526 120.400 0.003 0.000 2.633 1105 K HA -0.091 4.222 4.320 -0.011 0.000 0.193 1105 K C -0.458 176.146 176.600 0.006 0.000 1.033 1105 K CA 0.631 56.920 56.287 0.004 0.000 0.980 1105 K CB -0.422 32.080 32.500 0.004 0.000 0.800 1105 K HN 0.215 nan 8.250 nan 0.000 0.493 1106 D N 1.291 121.695 120.400 0.006 0.000 2.723 1106 D HA -0.161 4.472 4.640 -0.011 0.000 0.236 1106 D C -0.649 175.658 176.300 0.011 0.000 1.138 1106 D CA 0.659 54.665 54.000 0.009 0.000 0.676 1106 D CB -1.260 39.546 40.800 0.009 0.000 1.069 1106 D HN 0.271 nan 8.370 nan 0.000 0.430 1107 N N 0.986 119.693 118.700 0.010 0.000 2.424 1107 N HA 0.315 5.048 4.740 -0.011 0.000 0.271 1107 N C -2.449 173.070 175.510 0.015 0.000 0.985 1107 N CA -1.238 51.820 53.050 0.013 0.000 0.921 1107 N CB 1.675 40.168 38.487 0.011 0.000 1.149 1107 N HN -0.113 nan 8.380 nan 0.000 0.492 1108 P HA -0.096 nan 4.420 nan 0.000 0.268 1108 P C -0.656 176.659 177.300 0.025 0.000 1.189 1108 P CA 0.280 63.397 63.100 0.028 0.000 0.771 1108 P CB 0.627 32.347 31.700 0.034 0.000 0.822 1109 V N 1.349 121.279 119.914 0.027 0.000 2.623 1109 V HA 0.280 4.393 4.120 -0.011 0.000 0.304 1109 V C -0.377 175.731 176.094 0.022 0.000 1.054 1109 V CA -0.722 61.588 62.300 0.016 0.000 0.882 1109 V CB 2.003 33.824 31.823 -0.004 0.000 1.002 1109 V HN 0.398 nan 8.190 nan 0.000 0.424 1110 D N 3.471 123.890 120.400 0.032 0.000 2.317 1110 D HA 0.303 4.936 4.640 -0.011 0.000 0.252 1110 D C 1.106 177.386 176.300 -0.033 0.000 1.174 1110 D CA -0.311 53.723 54.000 0.057 0.000 0.866 1110 D CB 1.407 42.270 40.800 0.106 0.000 1.127 1110 D HN 0.625 nan 8.370 nan 0.000 0.467 1111 I N 0.234 120.689 120.570 -0.191 0.000 3.226 1111 I HA 0.068 4.231 4.170 -0.011 0.000 0.277 1111 I C 0.807 176.673 176.117 -0.417 0.000 1.243 1111 I CA 0.206 61.288 61.300 -0.363 0.000 1.459 1111 I CB -0.258 37.438 38.000 -0.507 0.000 1.093 1111 I HN 0.093 nan 8.210 nan 0.000 0.453 1112 F N 2.833 122.811 119.950 0.046 0.000 2.765 1112 F HA 0.152 4.673 4.527 -0.011 0.000 0.302 1112 F C 0.954 176.768 175.800 0.023 0.000 1.111 1112 F CA -0.153 57.868 58.000 0.034 0.000 1.359 1112 F CB -0.346 38.673 39.000 0.032 0.000 1.097 1112 F HN 0.207 nan 8.300 nan 0.000 0.577 1113 E N 0.141 120.422 120.200 0.136 0.000 2.165 1113 E HA -0.260 4.083 4.350 -0.011 0.000 0.203 1113 E C 0.869 177.529 176.600 0.099 0.000 1.335 1113 E CA 0.462 56.916 56.400 0.089 0.000 0.708 1113 E CB -1.771 27.958 29.700 0.050 0.000 1.105 1113 E HN 0.706 nan 8.360 nan 0.000 0.346 1114 G N 0.651 109.522 108.800 0.118 0.000 2.981 1114 G HA2 -0.329 3.625 3.960 -0.011 0.000 0.199 1114 G HA3 -0.329 3.625 3.960 -0.011 0.000 0.199 1114 G C 0.796 175.738 174.900 0.070 0.000 1.586 1114 G CA -0.140 45.009 45.100 0.081 0.000 1.162 1114 G HN 0.286 nan 8.290 nan 0.000 0.538 1115 L N 1.704 122.972 121.223 0.075 0.000 2.740 1115 L HA 0.286 4.619 4.340 -0.011 0.000 0.242 1115 L C 2.566 179.407 176.870 -0.048 0.000 1.175 1115 L CA 1.253 56.105 54.840 0.020 0.000 0.859 1115 L CB -0.575 41.499 42.059 0.025 0.000 0.992 1115 L HN 0.565 nan 8.230 nan 0.000 0.454 1116 A N -1.377 121.443 122.820 -0.001 0.000 2.026 1116 A HA 0.146 4.459 4.320 -0.011 0.000 0.201 1116 A C 1.261 178.840 177.584 -0.008 0.000 1.318 1116 A CA -0.053 51.941 52.037 -0.073 0.000 0.857 1116 A CB 0.191 19.241 19.000 0.083 0.000 0.939 1116 A HN 0.252 nan 8.150 nan 0.000 0.476 1117 S N 1.957 117.680 115.700 0.038 0.000 2.465 1117 S HA 0.342 4.806 4.470 -0.011 0.000 0.280 1117 S C 0.282 174.888 174.600 0.011 0.000 1.232 1117 S CA -0.156 58.063 58.200 0.031 0.000 1.066 1117 S CB 0.478 63.704 63.200 0.043 0.000 0.929 1117 S HN 0.659 nan 8.310 nan 0.000 0.494 1118 K N 3.331 123.733 120.400 0.003 0.000 2.720 1118 K HA 0.647 4.961 4.320 -0.011 0.000 0.281 1118 K C -0.074 176.527 176.600 0.001 0.000 1.019 1118 K CA -0.926 55.359 56.287 -0.004 0.000 1.088 1118 K CB 0.536 33.028 32.500 -0.012 0.000 1.449 1118 K HN 0.502 nan 8.250 nan 0.000 0.542 1119 R N 0.000 120.499 120.500 -0.002 0.000 2.786 1119 R HA 0.000 4.333 4.340 -0.011 0.000 0.208 1119 R CA 0.000 56.100 56.100 0.000 0.000 0.921 1119 R CB 0.000 30.302 30.300 0.003 0.000 0.687 1119 R HN 0.000 nan 8.270 nan 0.000 0.535