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 3iyn_1_A DATA FIRST_RESID 6 DATA SEQUENCE MPQWSYMHIS GQDASEYLSP GLVQFARATE TYFSLNNKFR NPTVAPTHDV DATA SEQUENCE TTDRSQRLTL RFIPVDREDT AYSYKARFTL AVGDNRVLDM ASTYFDIRGV DATA SEQUENCE LDRGPTFKPY SGTAYNALAP KGAPNPCEWD XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXT HVFGQAPYSG INITKEGIQI GVEGQTPKYA DKTFQPEPQI DATA SEQUENCE GESQWYETEI NHAAGRVLKK TTPMKPCYGS YAKPTNENGG QGILVKQQNG DATA SEQUENCE KLESQVEMQF FSTTEATAGN GDNLTPKVVL YSEDVDIETP DTHISYMPTI DATA SEQUENCE KEGNSRELMG QQSMPNRPNY IAFRDNFIGL MYYNSTGNMG VLAGQASQLN DATA SEQUENCE AVVDLQDRNT ELSYQLLLDS IGDRTRYFSM WNQAVDSYDP DVRIIENHGT DATA SEQUENCE EDELPNYCFP LGGVINTETL TKVKPKTGQE NGWEKDATEF SDKNEIRVGN DATA SEQUENCE NFAMEINLNA NLWRNFLYSN IALYLPDKLK YSPSNVKISD NPNTYDYMNK DATA SEQUENCE RVVAPGLVDC YINLGARWSL DYMDNVNPFN HHRNAGLRYR SMLLGNGRYV DATA SEQUENCE PFHIQVPQKF FAIKNLLLLP GSYTYEWNFR KDVNMVLQSS LGNDLRVDGA DATA SEQUENCE SIKFDSICLY ATFFPMAHNT ASTLEAMLRN DTNDQSFNDY LSAANMLYPI DATA SEQUENCE PANATNVPIS IPSRNWAAFR GWAFTRLKTK ETPSLGSGYD PYYTYSGSIP DATA SEQUENCE YLDGTFYLNH TFKKVAITFD SSVSWPGNDR LLTPNEFEIK RSVDGEGYNV DATA SEQUENCE AQCNMTKDWF LVQMLANYNI GYQGFYIPES YKDRMYSFFR NFQPMSRQVV DATA SEQUENCE DDTKYKDYQQ VGILHQHNNS GFVGYLAPTM REGQAYPANF PYPLIGKTAV DATA SEQUENCE DSITQKKFLC DRTLWRIPFS SNFMSMGALT DLGQNLLYAN SAHALDMTFE DATA SEQUENCE VDPMDEPTLL YVLFEVFDVV RVHRPHRGVI ETVYLRTPFS AGNA 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 6 M HA 0.000 nan 4.480 nan 0.000 0.227 6 M C 0.000 176.207 176.300 -0.156 0.000 1.140 6 M CA 0.000 55.128 55.300 -0.286 0.000 0.988 6 M CB 0.000 32.432 32.600 -0.280 0.000 1.302 7 P HA -0.213 nan 4.420 nan 0.000 0.220 7 P C 1.124 178.404 177.300 -0.033 0.000 1.149 7 P CA 1.636 64.699 63.100 -0.062 0.000 0.829 7 P CB 0.227 31.874 31.700 -0.088 0.000 0.772 8 Q N -2.090 117.661 119.800 -0.083 0.000 2.033 8 Q HA -0.086 4.254 4.340 0.000 0.000 0.196 8 Q C 1.901 178.018 176.000 0.195 0.000 0.970 8 Q CA 1.482 57.287 55.803 0.003 0.000 0.828 8 Q CB -0.951 27.732 28.738 -0.092 0.000 0.895 8 Q HN 0.269 nan 8.270 nan 0.000 0.440 9 W N 0.239 121.552 121.300 0.022 0.000 2.381 9 W HA -0.031 4.629 4.660 0.000 0.000 0.321 9 W C 2.550 179.054 176.519 -0.025 0.000 1.196 9 W CA 1.182 58.533 57.345 0.010 0.000 1.304 9 W CB -1.732 27.737 29.460 0.015 0.000 1.166 9 W HN 0.202 nan 8.180 nan 0.000 0.473 10 S N -0.272 115.564 115.700 0.226 0.000 2.393 10 S HA -0.360 4.110 4.470 0.000 0.000 0.234 10 S C 1.943 176.467 174.600 -0.126 0.000 1.064 10 S CA 2.136 60.376 58.200 0.066 0.000 1.088 10 S CB -0.970 62.269 63.200 0.064 0.000 0.939 10 S HN 0.251 nan 8.310 nan 0.000 0.448 11 Y N 1.324 121.520 120.300 -0.173 0.000 2.114 11 Y HA 0.017 4.567 4.550 0.000 0.000 0.284 11 Y C 2.185 177.861 175.900 -0.374 0.000 1.143 11 Y CA 1.990 59.930 58.100 -0.266 0.000 1.135 11 Y CB -0.320 38.063 38.460 -0.128 0.000 0.980 11 Y HN 0.261 nan 8.280 nan 0.000 0.499 12 M N -0.217 119.291 119.600 -0.152 0.000 2.659 12 M HA -0.047 4.433 4.480 0.000 0.000 0.243 12 M C 0.029 176.262 176.300 -0.111 0.000 1.111 12 M CA 0.964 56.170 55.300 -0.156 0.000 1.070 12 M CB -1.411 31.226 32.600 0.062 0.000 1.525 12 M HN 0.446 nan 8.290 nan 0.000 0.517 13 H N -1.252 117.752 119.070 -0.109 0.000 2.936 13 H HA -0.138 4.418 4.556 0.000 0.000 0.276 13 H C 1.150 176.457 175.328 -0.035 0.000 1.216 13 H CA 0.536 56.517 56.048 -0.112 0.000 1.132 13 H CB -1.575 28.085 29.762 -0.170 0.000 1.303 13 H HN 0.294 nan 8.280 nan 0.000 0.370 14 I N -0.101 120.506 120.570 0.063 0.000 2.546 14 I HA -0.067 4.103 4.170 0.000 0.000 0.255 14 I C 1.603 177.676 176.117 -0.073 0.000 1.163 14 I CA 1.530 62.777 61.300 -0.088 0.000 1.457 14 I CB -0.340 37.472 38.000 -0.313 0.000 1.092 14 I HN 0.350 nan 8.210 nan 0.000 0.434 15 S N -1.181 114.579 115.700 0.100 0.000 2.705 15 S HA 0.799 5.269 4.470 0.000 0.000 0.280 15 S C -0.009 174.693 174.600 0.169 0.000 1.174 15 S CA 0.025 58.312 58.200 0.145 0.000 0.823 15 S CB 2.295 65.663 63.200 0.280 0.000 1.162 15 S HN 0.545 nan 8.310 nan 0.000 0.487 16 G N 0.576 109.471 108.800 0.159 0.000 2.445 16 G HA2 -0.016 3.944 3.960 0.000 0.000 0.212 16 G HA3 -0.016 3.944 3.960 0.000 0.000 0.212 16 G C -1.042 173.960 174.900 0.170 0.000 1.217 16 G CA -0.263 44.931 45.100 0.157 0.000 1.002 16 G HN 0.975 nan 8.290 nan 0.000 0.574 17 Q N 0.353 120.284 119.800 0.217 0.000 2.249 17 Q HA 0.499 4.839 4.340 0.000 0.000 0.226 17 Q C -0.514 175.658 176.000 0.287 0.000 0.983 17 Q CA -0.692 55.245 55.803 0.224 0.000 0.930 17 Q CB 0.858 29.735 28.738 0.232 0.000 1.193 17 Q HN 0.540 nan 8.270 nan 0.000 0.508 18 D N -0.345 120.149 120.400 0.157 0.000 2.354 18 D HA 0.148 4.788 4.640 0.000 0.000 0.247 18 D C 0.605 176.831 176.300 -0.123 0.000 1.138 18 D CA 0.018 54.057 54.000 0.065 0.000 0.958 18 D CB 1.332 42.129 40.800 -0.006 0.000 1.144 18 D HN 0.675 nan 8.370 nan 0.000 0.458 19 A N 1.050 123.654 122.820 -0.361 0.000 1.948 19 A HA -0.222 4.098 4.320 0.000 0.000 0.220 19 A C 2.008 179.212 177.584 -0.634 0.000 1.177 19 A CA 2.411 53.897 52.037 -0.918 0.000 0.636 19 A CB -0.710 17.950 19.000 -0.566 0.000 0.815 19 A HN 0.569 nan 8.150 nan 0.000 0.449 20 S N -0.704 114.799 115.700 -0.328 0.000 2.500 20 S HA -0.127 4.343 4.470 0.000 0.000 0.239 20 S C 1.399 175.895 174.600 -0.173 0.000 0.989 20 S CA 1.416 59.482 58.200 -0.223 0.000 0.951 20 S CB -0.219 62.902 63.200 -0.133 0.000 0.759 20 S HN 0.737 nan 8.310 nan 0.000 0.523 21 E N 0.106 120.213 120.200 -0.156 0.000 2.207 21 E HA 0.088 4.438 4.350 0.000 0.000 0.197 21 E C 1.516 178.110 176.600 -0.010 0.000 0.914 21 E CA 0.494 56.864 56.400 -0.050 0.000 0.914 21 E CB -0.266 29.448 29.700 0.022 0.000 0.893 21 E HN 0.768 nan 8.360 nan 0.000 0.479 22 Y N 1.277 121.578 120.300 0.001 0.000 2.578 22 Y HA 0.293 4.843 4.550 0.000 0.000 0.297 22 Y C 0.071 175.970 175.900 -0.001 0.000 1.176 22 Y CA 0.052 58.183 58.100 0.050 0.000 1.315 22 Y CB -0.242 38.328 38.460 0.183 0.000 1.031 22 Y HN -0.192 nan 8.280 nan 0.000 0.524 23 L N 1.805 122.767 121.223 -0.435 0.000 2.322 23 L HA 0.343 4.683 4.340 0.000 0.000 0.281 23 L C 0.350 177.080 176.870 -0.234 0.000 1.014 23 L CA -1.217 53.353 54.840 -0.449 0.000 0.815 23 L CB 1.618 43.194 42.059 -0.805 0.000 1.247 23 L HN 0.238 nan 8.230 nan 0.000 0.421 24 S N 2.280 117.893 115.700 -0.145 0.000 2.817 24 S HA -0.053 4.417 4.470 0.000 0.000 0.333 24 S C -1.847 172.691 174.600 -0.103 0.000 1.227 24 S CA -0.723 57.425 58.200 -0.087 0.000 1.027 24 S CB 0.135 63.296 63.200 -0.065 0.000 0.732 24 S HN 0.479 nan 8.310 nan 0.000 0.499 25 P HA -0.044 nan 4.420 nan 0.000 0.214 25 P C 1.884 179.159 177.300 -0.041 0.000 1.163 25 P CA 1.765 64.833 63.100 -0.053 0.000 0.889 25 P CB -0.528 31.154 31.700 -0.029 0.000 0.790 26 G N -0.038 108.747 108.800 -0.026 0.000 2.446 26 G HA2 -0.273 3.687 3.960 0.000 0.000 0.217 26 G HA3 -0.273 3.687 3.960 0.000 0.000 0.217 26 G C 1.495 176.402 174.900 0.011 0.000 1.168 26 G CA 0.731 45.829 45.100 -0.003 0.000 0.771 26 G HN 0.214 nan 8.290 nan 0.000 0.551 27 L N 0.877 122.079 121.223 -0.035 0.000 2.046 27 L HA -0.038 4.302 4.340 0.000 0.000 0.208 27 L C 2.991 179.854 176.870 -0.012 0.000 1.077 27 L CA 1.445 56.262 54.840 -0.038 0.000 0.747 27 L CB -0.630 41.348 42.059 -0.135 0.000 0.896 27 L HN 0.104 nan 8.230 nan 0.000 0.432 28 V N -0.402 119.456 119.914 -0.093 0.000 2.287 28 V HA -0.367 3.753 4.120 0.000 0.000 0.248 28 V C 2.585 178.663 176.094 -0.027 0.000 1.053 28 V CA 2.117 64.355 62.300 -0.103 0.000 1.027 28 V CB -0.791 30.950 31.823 -0.137 0.000 0.646 28 V HN 0.650 nan 8.190 nan 0.000 0.447 29 Q N -0.754 119.048 119.800 0.004 0.000 2.084 29 Q HA -0.253 4.087 4.340 0.000 0.000 0.202 29 Q C 2.130 178.162 176.000 0.053 0.000 0.978 29 Q CA 2.197 58.012 55.803 0.019 0.000 0.844 29 Q CB -0.233 28.523 28.738 0.029 0.000 0.898 29 Q HN 0.662 nan 8.270 nan 0.000 0.426 30 F N 0.373 120.305 119.950 -0.031 0.000 2.186 30 F HA -0.085 4.442 4.527 0.000 0.000 0.299 30 F C 1.931 177.722 175.800 -0.014 0.000 1.090 30 F CA 1.365 59.362 58.000 -0.005 0.000 1.307 30 F CB -0.331 38.678 39.000 0.015 0.000 1.019 30 F HN 0.132 nan 8.300 nan 0.000 0.489 31 A N 0.454 123.333 122.820 0.098 0.000 1.969 31 A HA -0.153 4.167 4.320 0.000 0.000 0.218 31 A C 2.337 179.843 177.584 -0.130 0.000 1.169 31 A CA 1.469 53.503 52.037 -0.006 0.000 0.635 31 A CB -0.783 18.250 19.000 0.056 0.000 0.810 31 A HN 0.489 nan 8.150 nan 0.000 0.445 32 R N -0.576 119.857 120.500 -0.112 0.000 2.115 32 R HA 0.031 4.371 4.340 0.000 0.000 0.226 32 R C 2.081 178.286 176.300 -0.160 0.000 1.100 32 R CA 1.193 57.224 56.100 -0.115 0.000 0.980 32 R CB -0.245 30.009 30.300 -0.077 0.000 0.875 32 R HN 0.419 nan 8.270 nan 0.000 0.445 33 A N -0.082 122.614 122.820 -0.207 0.000 2.021 33 A HA -0.037 4.284 4.320 0.000 0.000 0.216 33 A C 1.830 179.186 177.584 -0.381 0.000 1.163 33 A CA 1.265 53.170 52.037 -0.220 0.000 0.676 33 A CB -0.245 18.657 19.000 -0.163 0.000 0.818 33 A HN 0.514 nan 8.150 nan 0.000 0.453 34 T N -2.279 111.915 114.554 -0.599 0.000 3.129 34 T HA 0.087 4.437 4.350 0.000 0.000 0.251 34 T C 0.970 175.278 174.700 -0.654 0.000 1.117 34 T CA 0.783 62.330 62.100 -0.922 0.000 1.034 34 T CB -0.010 68.297 68.868 -0.935 0.000 0.968 34 T HN 0.341 nan 8.240 nan 0.000 0.526 35 E N 2.420 122.388 120.200 -0.386 0.000 2.453 35 E HA -0.058 4.292 4.350 0.000 0.000 0.207 35 E C 1.357 177.822 176.600 -0.224 0.000 1.212 35 E CA 0.909 57.163 56.400 -0.243 0.000 0.959 35 E CB -0.805 28.800 29.700 -0.160 0.000 0.957 35 E HN 0.821 nan 8.360 nan 0.000 0.540 36 T N -3.529 110.818 114.554 -0.345 0.000 3.330 36 T HA 0.028 4.378 4.350 0.000 0.000 0.240 36 T C 1.663 176.316 174.700 -0.078 0.000 0.988 36 T CA 0.360 62.358 62.100 -0.171 0.000 1.253 36 T CB -0.726 68.116 68.868 -0.043 0.000 1.163 36 T HN 0.282 nan 8.240 nan 0.000 0.382 37 Y N 0.556 120.872 120.300 0.027 0.000 2.190 37 Y HA 0.601 5.151 4.550 0.000 0.000 0.290 37 Y C 0.827 176.834 175.900 0.178 0.000 1.115 37 Y CA -0.917 57.234 58.100 0.086 0.000 1.107 37 Y CB -0.462 38.050 38.460 0.087 0.000 1.033 37 Y HN 0.161 nan 8.280 nan 0.000 0.502 38 F N 1.441 121.310 119.950 -0.136 0.000 2.420 38 F HA 0.541 5.068 4.527 0.000 0.000 0.342 38 F C -0.169 175.557 175.800 -0.123 0.000 1.113 38 F CA -1.518 56.467 58.000 -0.024 0.000 1.059 38 F CB 1.635 40.722 39.000 0.145 0.000 1.128 38 F HN -0.087 nan 8.300 nan 0.000 0.475 39 S N 5.871 121.404 115.700 -0.279 0.000 2.530 39 S HA 0.511 4.981 4.470 0.000 0.000 0.322 39 S C 0.276 174.772 174.600 -0.173 0.000 1.085 39 S CA -0.580 57.508 58.200 -0.187 0.000 1.096 39 S CB 0.476 63.578 63.200 -0.163 0.000 0.988 39 S HN 0.719 nan 8.310 nan 0.000 0.466 40 L N 4.426 125.652 121.223 0.005 0.000 2.693 40 L HA 0.252 4.592 4.340 0.000 0.000 0.235 40 L C 1.750 178.728 176.870 0.179 0.000 1.127 40 L CA -0.168 54.748 54.840 0.127 0.000 0.914 40 L CB -0.168 42.108 42.059 0.361 0.000 1.193 40 L HN 0.513 nan 8.230 nan 0.000 0.502 41 N N 1.706 120.458 118.700 0.088 0.000 2.104 41 N HA -0.197 4.543 4.740 0.000 0.000 0.190 41 N C 1.457 177.007 175.510 0.068 0.000 1.024 41 N CA 1.702 54.809 53.050 0.095 0.000 0.853 41 N CB -0.475 38.020 38.487 0.013 0.000 1.008 41 N HN 0.497 nan 8.380 nan 0.000 0.424 42 N N 1.365 120.054 118.700 -0.017 0.000 2.571 42 N HA -0.085 4.655 4.740 0.000 0.000 0.189 42 N C 0.510 175.947 175.510 -0.121 0.000 1.154 42 N CA 0.540 53.557 53.050 -0.055 0.000 0.907 42 N CB 0.037 38.480 38.487 -0.073 0.000 0.977 42 N HN 0.158 nan 8.380 nan 0.000 0.449 43 K N -0.202 120.068 120.400 -0.217 0.000 2.367 43 K HA 0.146 4.466 4.320 0.000 0.000 0.194 43 K C -0.501 175.615 176.600 -0.807 0.000 1.027 43 K CA 0.100 56.054 56.287 -0.556 0.000 1.075 43 K CB 0.269 32.270 32.500 -0.831 0.000 0.845 43 K HN 0.173 nan 8.250 nan 0.000 0.529 44 F N 1.107 121.049 119.950 -0.012 0.000 2.536 44 F HA 0.355 4.882 4.527 0.000 0.000 0.322 44 F C 0.394 176.191 175.800 -0.006 0.000 1.144 44 F CA -1.435 56.571 58.000 0.009 0.000 0.924 44 F CB 1.272 40.244 39.000 -0.047 0.000 1.181 44 F HN -0.290 nan 8.300 nan 0.000 0.438 45 R N 2.444 123.043 120.500 0.165 0.000 2.590 45 R HA 0.260 4.600 4.340 0.000 0.000 0.274 45 R C -0.952 175.402 176.300 0.089 0.000 1.061 45 R CA 0.069 56.224 56.100 0.092 0.000 1.081 45 R CB 0.122 30.472 30.300 0.082 0.000 0.984 45 R HN 0.593 nan 8.270 nan 0.000 0.448 46 N N 6.271 125.008 118.700 0.061 0.000 2.524 46 N HA 0.305 5.045 4.740 0.000 0.000 0.261 46 N C -2.548 172.990 175.510 0.048 0.000 0.998 46 N CA -1.328 51.755 53.050 0.055 0.000 0.915 46 N CB 1.916 40.416 38.487 0.021 0.000 1.187 46 N HN 0.536 nan 8.380 nan 0.000 0.507 47 P HA 0.121 nan 4.420 nan 0.000 0.272 47 P C -0.545 176.769 177.300 0.023 0.000 1.223 47 P CA -0.091 63.034 63.100 0.042 0.000 0.784 47 P CB 0.770 32.513 31.700 0.071 0.000 0.923 48 T N -1.313 113.238 114.554 -0.005 0.000 2.879 48 T HA 0.542 4.892 4.350 0.000 0.000 0.290 48 T C -0.527 174.160 174.700 -0.022 0.000 0.993 48 T CA -0.696 61.400 62.100 -0.007 0.000 0.975 48 T CB 0.849 69.709 68.868 -0.013 0.000 0.981 48 T HN 0.158 nan 8.240 nan 0.000 0.439 49 V N 2.108 122.020 119.914 -0.003 0.000 2.540 49 V HA 0.810 4.930 4.120 0.000 0.000 0.302 49 V C 0.424 176.523 176.094 0.008 0.000 1.035 49 V CA -1.129 61.169 62.300 -0.004 0.000 0.873 49 V CB 1.594 33.434 31.823 0.029 0.000 0.992 49 V HN 1.275 nan 8.190 nan 0.000 0.428 50 A N 6.380 129.202 122.820 0.004 0.000 2.327 50 A HA 0.826 5.146 4.320 0.000 0.000 0.283 50 A C -1.714 175.884 177.584 0.023 0.000 1.127 50 A CA -1.242 50.802 52.037 0.011 0.000 0.810 50 A CB -0.031 18.974 19.000 0.008 0.000 1.066 50 A HN 0.746 nan 8.150 nan 0.000 0.492 51 P HA 0.082 nan 4.420 nan 0.000 0.270 51 P C 0.236 177.547 177.300 0.018 0.000 1.221 51 P CA 0.523 63.611 63.100 -0.020 0.000 0.788 51 P CB 0.349 31.997 31.700 -0.086 0.000 0.904 52 T N -3.302 111.286 114.554 0.056 0.000 3.460 52 T HA 0.242 4.592 4.350 0.000 0.000 0.304 52 T C 0.078 174.911 174.700 0.223 0.000 0.991 52 T CA -0.507 61.674 62.100 0.135 0.000 0.975 52 T CB -0.856 68.113 68.868 0.168 0.000 1.196 52 T HN 0.887 nan 8.240 nan 0.000 0.490 53 H N -1.558 117.539 119.070 0.045 0.000 3.093 53 H HA 0.307 4.863 4.556 0.000 0.000 0.312 53 H C -1.640 173.719 175.328 0.051 0.000 1.213 53 H CA -0.533 55.540 56.048 0.042 0.000 1.366 53 H CB 0.130 29.914 29.762 0.037 0.000 1.998 53 H HN 0.018 nan 8.280 nan 0.000 0.522 54 D N 1.269 121.719 120.400 0.084 0.000 2.775 54 D HA -0.107 4.533 4.640 0.000 0.000 0.235 54 D C 0.528 176.845 176.300 0.028 0.000 1.120 54 D CA 1.185 55.215 54.000 0.050 0.000 0.708 54 D CB -1.516 39.305 40.800 0.035 0.000 1.084 54 D HN 0.411 nan 8.370 nan 0.000 0.434 55 V N -1.929 118.026 119.914 0.069 0.000 3.837 55 V HA 0.129 4.249 4.120 0.000 0.000 0.182 55 V C 0.910 177.129 176.094 0.208 0.000 1.356 55 V CA 1.065 63.449 62.300 0.141 0.000 1.260 55 V CB 0.889 32.774 31.823 0.102 0.000 1.287 55 V HN 0.132 nan 8.190 nan 0.000 0.572 56 T N 0.809 115.420 114.554 0.094 0.000 2.940 56 T HA 0.494 4.844 4.350 0.000 0.000 0.288 56 T C -0.300 174.390 174.700 -0.017 0.000 1.033 56 T CA -0.016 62.093 62.100 0.015 0.000 1.033 56 T CB 2.011 70.846 68.868 -0.055 0.000 1.079 56 T HN 0.360 nan 8.240 nan 0.000 0.496 57 T N 0.370 114.880 114.554 -0.072 0.000 2.922 57 T HA 0.226 4.576 4.350 0.000 0.000 0.285 57 T C 0.211 174.836 174.700 -0.126 0.000 1.005 57 T CA -0.653 61.347 62.100 -0.168 0.000 1.061 57 T CB 0.424 69.089 68.868 -0.339 0.000 1.007 57 T HN 0.449 nan 8.240 nan 0.000 0.502 58 D N 1.495 121.819 120.400 -0.127 0.000 2.366 58 D HA 0.100 4.740 4.640 0.000 0.000 0.205 58 D C 1.070 177.328 176.300 -0.070 0.000 1.022 58 D CA 0.208 54.165 54.000 -0.073 0.000 0.868 58 D CB 0.112 40.886 40.800 -0.044 0.000 0.953 58 D HN 0.643 nan 8.370 nan 0.000 0.514 59 R N 0.542 120.978 120.500 -0.106 0.000 2.560 59 R HA 0.355 4.695 4.340 0.000 0.000 0.270 59 R C 0.348 176.628 176.300 -0.033 0.000 1.074 59 R CA -0.478 55.588 56.100 -0.056 0.000 1.140 59 R CB 0.755 31.034 30.300 -0.035 0.000 1.073 59 R HN -0.214 nan 8.270 nan 0.000 0.527 60 S N 0.840 116.535 115.700 -0.007 0.000 2.552 60 S HA -0.016 4.454 4.470 0.000 0.000 0.289 60 S C -0.575 174.029 174.600 0.007 0.000 1.304 60 S CA 0.021 58.219 58.200 -0.003 0.000 1.063 60 S CB 0.195 63.394 63.200 -0.000 0.000 0.848 60 S HN 0.618 nan 8.310 nan 0.000 0.499 61 Q N 2.857 122.655 119.800 -0.004 0.000 2.403 61 Q HA 0.279 4.619 4.340 0.000 0.000 0.267 61 Q C -1.363 174.626 176.000 -0.018 0.000 0.991 61 Q CA -0.755 55.044 55.803 -0.005 0.000 0.906 61 Q CB 1.140 29.892 28.738 0.024 0.000 1.422 61 Q HN 0.700 nan 8.270 nan 0.000 0.400 62 R N 3.218 123.695 120.500 -0.039 0.000 2.390 62 R HA 0.259 4.599 4.340 0.000 0.000 0.291 62 R C 0.667 176.977 176.300 0.017 0.000 1.070 62 R CA 0.062 56.149 56.100 -0.021 0.000 1.014 62 R CB 0.785 31.059 30.300 -0.044 0.000 1.007 62 R HN 0.778 nan 8.270 nan 0.000 0.466 63 L N 1.333 122.591 121.223 0.059 0.000 2.162 63 L HA 0.007 4.347 4.340 0.000 0.000 0.205 63 L C 0.345 177.343 176.870 0.213 0.000 1.086 63 L CA 1.204 56.117 54.840 0.120 0.000 0.778 63 L CB 0.311 42.416 42.059 0.076 0.000 0.928 63 L HN 0.546 nan 8.230 nan 0.000 0.446 64 T N 0.594 115.251 114.554 0.172 0.000 2.841 64 T HA 0.488 4.838 4.350 0.000 0.000 0.285 64 T C -0.542 174.241 174.700 0.138 0.000 0.991 64 T CA -0.389 61.841 62.100 0.216 0.000 0.966 64 T CB 2.042 71.040 68.868 0.216 0.000 0.962 64 T HN -0.109 nan 8.240 nan 0.000 0.438 65 L N 2.768 124.069 121.223 0.130 0.000 2.334 65 L HA 0.647 4.987 4.340 0.000 0.000 0.276 65 L C 0.202 176.817 176.870 -0.425 0.000 1.014 65 L CA -1.012 53.730 54.840 -0.162 0.000 0.815 65 L CB 1.956 43.895 42.059 -0.199 0.000 1.268 65 L HN 0.398 nan 8.230 nan 0.000 0.428 66 R N 1.996 122.131 120.500 -0.610 0.000 2.338 66 R HA 0.568 4.908 4.340 0.000 0.000 0.317 66 R C -1.571 174.316 176.300 -0.689 0.000 0.968 66 R CA -0.310 55.336 56.100 -0.757 0.000 0.849 66 R CB 0.960 30.899 30.300 -0.601 0.000 1.128 66 R HN 0.317 nan 8.270 nan 0.000 0.448 67 F N 4.675 124.505 119.950 -0.199 0.000 2.469 67 F HA 0.426 4.953 4.527 0.000 0.000 0.332 67 F C 0.043 175.953 175.800 0.183 0.000 1.103 67 F CA -1.089 56.930 58.000 0.031 0.000 0.979 67 F CB 1.488 40.546 39.000 0.096 0.000 1.137 67 F HN 0.344 nan 8.300 nan 0.000 0.463 68 I N 4.893 125.691 120.570 0.380 0.000 2.498 68 I HA 0.515 4.685 4.170 0.000 0.000 0.301 68 I C -2.435 173.837 176.117 0.258 0.000 0.984 68 I CA -3.269 58.208 61.300 0.294 0.000 1.204 68 I CB 1.193 39.273 38.000 0.133 0.000 1.362 68 I HN 0.264 nan 8.210 nan 0.000 0.471 69 P HA 0.014 nan 4.420 nan 0.000 0.268 69 P C 0.419 177.604 177.300 -0.192 0.000 1.204 69 P CA 0.117 62.949 63.100 -0.447 0.000 0.768 69 P CB 0.723 32.163 31.700 -0.435 0.000 0.842 70 V N 1.539 121.338 119.914 -0.192 0.000 3.052 70 V HA 0.082 4.202 4.120 0.000 0.000 0.254 70 V C 0.075 176.102 176.094 -0.113 0.000 1.100 70 V CA 1.448 63.697 62.300 -0.084 0.000 1.112 70 V CB -0.420 31.384 31.823 -0.031 0.000 0.738 70 V HN 0.566 nan 8.190 nan 0.000 0.469 71 D N -0.582 119.709 120.400 -0.182 0.000 2.886 71 D HA 0.464 5.104 4.640 0.000 0.000 0.216 71 D C -0.825 175.334 176.300 -0.235 0.000 1.256 71 D CA -0.424 53.474 54.000 -0.170 0.000 0.844 71 D CB 1.532 42.249 40.800 -0.137 0.000 1.669 71 D HN 0.268 nan 8.370 nan 0.000 0.513 72 R N 2.205 122.572 120.500 -0.222 0.000 2.686 72 R HA 0.574 4.914 4.340 0.000 0.000 0.283 72 R C -0.875 175.230 176.300 -0.326 0.000 0.978 72 R CA -0.871 55.044 56.100 -0.308 0.000 0.897 72 R CB 2.223 32.369 30.300 -0.258 0.000 1.192 72 R HN 0.339 nan 8.270 nan 0.000 0.457 73 E N 1.624 121.548 120.200 -0.459 0.000 2.580 73 E HA 0.062 4.412 4.350 0.000 0.000 0.248 73 E C -1.618 174.707 176.600 -0.457 0.000 1.018 73 E CA -0.482 55.700 56.400 -0.363 0.000 0.775 73 E CB 1.497 31.043 29.700 -0.256 0.000 1.378 73 E HN 0.349 nan 8.360 nan 0.000 0.401 74 D N 2.202 122.373 120.400 -0.382 0.000 2.336 74 D HA 0.126 4.766 4.640 0.000 0.000 0.249 74 D C -0.494 175.771 176.300 -0.059 0.000 1.213 74 D CA 0.476 54.395 54.000 -0.135 0.000 0.870 74 D CB 0.830 41.730 40.800 0.166 0.000 1.076 74 D HN 0.102 nan 8.370 nan 0.000 0.483 75 T N 1.989 116.508 114.554 -0.058 0.000 2.919 75 T HA 0.544 4.894 4.350 0.000 0.000 0.282 75 T C 1.448 176.065 174.700 -0.139 0.000 1.020 75 T CA -0.066 61.951 62.100 -0.138 0.000 0.994 75 T CB 1.407 70.128 68.868 -0.245 0.000 1.180 75 T HN 0.334 nan 8.240 nan 0.000 0.566 76 A N 0.526 123.203 122.820 -0.238 0.000 1.896 76 A HA -0.164 4.156 4.320 0.000 0.000 0.220 76 A C 1.501 179.014 177.584 -0.117 0.000 1.206 76 A CA 2.475 54.397 52.037 -0.193 0.000 0.647 76 A CB -0.946 17.922 19.000 -0.219 0.000 0.828 76 A HN 0.956 nan 8.150 nan 0.000 0.455 77 Y N -2.105 118.194 120.300 -0.001 0.000 2.563 77 Y HA 0.522 5.072 4.550 0.000 0.000 0.250 77 Y C 0.296 176.339 175.900 0.237 0.000 1.126 77 Y CA -0.556 57.585 58.100 0.067 0.000 1.231 77 Y CB -0.547 37.890 38.460 -0.038 0.000 1.288 77 Y HN 0.360 nan 8.280 nan 0.000 0.537 78 S N -0.880 114.906 115.700 0.145 0.000 2.618 78 S HA 0.640 5.110 4.470 0.000 0.000 0.277 78 S C -1.933 172.860 174.600 0.322 0.000 1.138 78 S CA -0.705 57.719 58.200 0.373 0.000 0.844 78 S CB 2.296 65.723 63.200 0.379 0.000 1.127 78 S HN 0.242 nan 8.310 nan 0.000 0.474 79 Y N 0.657 121.131 120.300 0.290 0.000 2.391 79 Y HA 0.679 5.229 4.550 0.000 0.000 0.341 79 Y C -0.566 175.446 175.900 0.187 0.000 0.965 79 Y CA -0.524 57.705 58.100 0.214 0.000 1.067 79 Y CB 1.790 40.411 38.460 0.268 0.000 1.199 79 Y HN 0.960 nan 8.280 nan 0.000 0.450 80 K N 4.136 124.417 120.400 -0.199 0.000 2.376 80 K HA 0.889 5.209 4.320 0.000 0.000 0.257 80 K C -1.822 174.644 176.600 -0.223 0.000 0.939 80 K CA -0.681 55.536 56.287 -0.117 0.000 0.809 80 K CB 1.240 33.638 32.500 -0.170 0.000 1.121 80 K HN 0.696 nan 8.250 nan 0.000 0.425 81 A N 4.283 127.063 122.820 -0.067 0.000 2.374 81 A HA 0.577 4.897 4.320 0.000 0.000 0.305 81 A C -1.236 176.196 177.584 -0.253 0.000 1.053 81 A CA -0.805 51.105 52.037 -0.212 0.000 0.726 81 A CB 1.263 20.192 19.000 -0.119 0.000 1.229 81 A HN 0.801 nan 8.150 nan 0.000 0.431 82 R N 1.648 121.897 120.500 -0.419 0.000 2.562 82 R HA 0.738 5.078 4.340 0.000 0.000 0.298 82 R C -1.736 174.306 176.300 -0.430 0.000 0.961 82 R CA -0.335 55.616 56.100 -0.248 0.000 0.881 82 R CB 0.983 31.206 30.300 -0.128 0.000 1.159 82 R HN 0.619 nan 8.270 nan 0.000 0.450 83 F N -0.041 119.971 119.950 0.103 0.000 2.593 83 F HA 0.383 4.910 4.527 0.000 0.000 0.320 83 F C 0.211 176.062 175.800 0.085 0.000 1.060 83 F CA -0.835 57.230 58.000 0.109 0.000 0.940 83 F CB 2.471 41.556 39.000 0.142 0.000 1.268 83 F HN 0.244 nan 8.300 nan 0.000 0.475 84 T N 3.381 118.079 114.554 0.239 0.000 3.042 84 T HA 0.293 4.643 4.350 0.000 0.000 0.356 84 T C -0.762 173.909 174.700 -0.047 0.000 1.233 84 T CA -0.321 61.852 62.100 0.123 0.000 1.038 84 T CB 0.081 69.017 68.868 0.114 0.000 1.089 84 T HN 0.351 nan 8.240 nan 0.000 0.531 85 L N 4.413 125.574 121.223 -0.102 0.000 2.385 85 L HA 0.602 4.942 4.340 0.000 0.000 0.281 85 L C 0.097 176.928 176.870 -0.064 0.000 1.106 85 L CA -0.333 54.261 54.840 -0.410 0.000 0.856 85 L CB -0.650 41.287 42.059 -0.203 0.000 1.186 85 L HN 0.581 nan 8.230 nan 0.000 0.453 86 A N 5.334 128.142 122.820 -0.020 0.000 2.271 86 A HA 0.634 4.954 4.320 0.000 0.000 0.317 86 A C -0.536 177.249 177.584 0.334 0.000 1.245 86 A CA -0.579 51.585 52.037 0.211 0.000 0.857 86 A CB 0.970 20.110 19.000 0.233 0.000 1.175 86 A HN 0.503 nan 8.150 nan 0.000 0.512 87 V N 4.094 124.200 119.914 0.320 0.000 2.218 87 V HA 0.335 4.455 4.120 0.000 0.000 0.261 87 V C 1.332 177.539 176.094 0.188 0.000 1.142 87 V CA -0.035 62.483 62.300 0.364 0.000 0.965 87 V CB 0.013 32.085 31.823 0.416 0.000 1.190 87 V HN 1.148 nan 8.190 nan 0.000 0.478 88 G N 2.716 111.559 108.800 0.072 0.000 3.026 88 G HA2 -0.084 3.876 3.960 0.000 0.000 0.232 88 G HA3 -0.084 3.876 3.960 0.000 0.000 0.232 88 G C 0.162 175.061 174.900 -0.001 0.000 1.241 88 G CA -0.072 45.025 45.100 -0.004 0.000 0.858 88 G HN 0.571 nan 8.290 nan 0.000 0.592 89 D N 0.158 120.536 120.400 -0.036 0.000 2.352 89 D HA -0.067 4.573 4.640 0.000 0.000 0.238 89 D C 0.942 177.173 176.300 -0.114 0.000 1.286 89 D CA 0.252 54.222 54.000 -0.050 0.000 0.923 89 D CB 0.229 40.991 40.800 -0.062 0.000 1.146 89 D HN 0.484 nan 8.370 nan 0.000 0.471 90 N N 0.560 119.194 118.700 -0.109 0.000 2.666 90 N HA -0.249 4.491 4.740 0.000 0.000 0.248 90 N C -0.508 174.978 175.510 -0.041 0.000 1.118 90 N CA 1.080 54.041 53.050 -0.148 0.000 0.722 90 N CB -0.617 37.561 38.487 -0.515 0.000 1.050 90 N HN 0.436 nan 8.380 nan 0.000 0.550 91 R N -0.695 119.832 120.500 0.045 0.000 2.808 91 R HA 0.726 5.066 4.340 0.000 0.000 0.272 91 R C -0.383 176.048 176.300 0.218 0.000 0.995 91 R CA -0.916 55.281 56.100 0.162 0.000 0.917 91 R CB 2.347 32.725 30.300 0.130 0.000 1.217 91 R HN -0.002 nan 8.270 nan 0.000 0.471 92 V N -0.592 119.494 119.914 0.286 0.000 2.925 92 V HA 0.717 4.837 4.120 0.000 0.000 0.311 92 V C -1.437 174.774 176.094 0.194 0.000 1.104 92 V CA -1.059 61.362 62.300 0.201 0.000 0.954 92 V CB 2.000 33.894 31.823 0.118 0.000 1.022 92 V HN 0.580 nan 8.190 nan 0.000 0.427 93 L N 2.390 123.632 121.223 0.031 0.000 2.381 93 L HA 0.687 5.027 4.340 0.000 0.000 0.274 93 L C -0.697 176.070 176.870 -0.172 0.000 0.988 93 L CA 0.051 54.766 54.840 -0.209 0.000 0.824 93 L CB 1.642 43.477 42.059 -0.374 0.000 1.263 93 L HN 0.940 nan 8.230 nan 0.000 0.410 94 D N 5.317 125.621 120.400 -0.159 0.000 2.347 94 D HA 0.117 4.757 4.640 0.000 0.000 0.235 94 D C 1.158 177.365 176.300 -0.155 0.000 1.149 94 D CA -0.352 53.582 54.000 -0.110 0.000 0.850 94 D CB 1.153 41.925 40.800 -0.047 0.000 1.061 94 D HN 0.576 nan 8.370 nan 0.000 0.487 95 M N 2.913 122.402 119.600 -0.185 0.000 2.260 95 M HA -0.173 4.307 4.480 0.000 0.000 0.261 95 M C 1.888 178.093 176.300 -0.158 0.000 1.066 95 M CA 0.786 55.953 55.300 -0.223 0.000 1.082 95 M CB -1.180 31.256 32.600 -0.272 0.000 1.388 95 M HN 0.511 nan 8.290 nan 0.000 0.419 96 A N -0.113 122.647 122.820 -0.101 0.000 2.178 96 A HA -0.066 4.254 4.320 0.000 0.000 0.218 96 A C 2.109 179.715 177.584 0.037 0.000 1.157 96 A CA 1.700 53.713 52.037 -0.040 0.000 0.689 96 A CB -0.684 18.313 19.000 -0.004 0.000 0.787 96 A HN 0.604 nan 8.150 nan 0.000 0.465 97 S N -0.618 115.092 115.700 0.016 0.000 2.597 97 S HA 0.180 4.650 4.470 0.000 0.000 0.224 97 S C 0.616 175.261 174.600 0.075 0.000 0.955 97 S CA 0.308 58.567 58.200 0.098 0.000 0.933 97 S CB -0.880 62.352 63.200 0.052 0.000 0.788 97 S HN 0.598 nan 8.310 nan 0.000 0.488 98 T N -0.152 114.396 114.554 -0.011 0.000 2.945 98 T HA 0.751 5.101 4.350 0.000 0.000 0.286 98 T C -0.746 173.940 174.700 -0.024 0.000 1.025 98 T CA -0.761 61.264 62.100 -0.126 0.000 1.039 98 T CB 1.199 69.934 68.868 -0.221 0.000 1.068 98 T HN 0.696 nan 8.240 nan 0.000 0.497 99 Y N -1.617 118.610 120.300 -0.121 0.000 2.662 99 Y HA 0.631 5.181 4.550 0.000 0.000 0.334 99 Y C -2.068 173.714 175.900 -0.196 0.000 1.185 99 Y CA -2.597 55.409 58.100 -0.156 0.000 1.074 99 Y CB 0.469 39.051 38.460 0.205 0.000 1.330 99 Y HN 0.646 nan 8.280 nan 0.000 0.458 100 F N 1.784 121.919 119.950 0.309 0.000 2.411 100 F HA 0.341 4.868 4.527 0.000 0.000 0.355 100 F C 0.070 176.036 175.800 0.276 0.000 1.117 100 F CA -0.243 57.864 58.000 0.179 0.000 1.139 100 F CB 1.109 40.182 39.000 0.122 0.000 1.120 100 F HN 0.593 nan 8.300 nan 0.000 0.493 101 D N 4.807 125.500 120.400 0.490 0.000 2.317 101 D HA 0.474 5.114 4.640 0.000 0.000 0.234 101 D C -0.762 175.690 176.300 0.254 0.000 1.112 101 D CA -0.058 54.202 54.000 0.434 0.000 0.840 101 D CB 0.700 41.860 40.800 0.599 0.000 1.078 101 D HN 0.309 nan 8.370 nan 0.000 0.486 102 I N 3.750 124.417 120.570 0.162 0.000 2.465 102 I HA 0.474 4.644 4.170 0.000 0.000 0.291 102 I C -0.004 176.150 176.117 0.061 0.000 1.014 102 I CA -0.921 60.393 61.300 0.024 0.000 1.093 102 I CB 1.827 39.745 38.000 -0.136 0.000 1.267 102 I HN 0.176 nan 8.210 nan 0.000 0.431 103 R N 3.920 124.349 120.500 -0.118 0.000 2.561 103 R HA 0.831 5.171 4.340 0.000 0.000 0.297 103 R C -0.325 175.704 176.300 -0.453 0.000 0.969 103 R CA -0.747 55.165 56.100 -0.314 0.000 0.879 103 R CB 2.430 32.537 30.300 -0.322 0.000 1.178 103 R HN 0.881 nan 8.270 nan 0.000 0.445 104 G N 0.705 108.916 108.800 -0.982 0.000 2.634 104 G HA2 0.486 4.446 3.960 0.000 0.000 0.309 104 G HA3 0.486 4.446 3.960 0.000 0.000 0.309 104 G C -1.704 172.696 174.900 -0.833 0.000 1.299 104 G CA -0.421 44.203 45.100 -0.792 0.000 0.798 104 G HN 0.290 nan 8.290 nan 0.000 0.490 105 V N 0.201 119.945 119.914 -0.283 0.000 2.604 105 V HA 0.754 4.874 4.120 0.000 0.000 0.305 105 V C -0.864 175.380 176.094 0.251 0.000 1.043 105 V CA -0.682 61.608 62.300 -0.016 0.000 0.888 105 V CB 1.570 33.380 31.823 -0.021 0.000 0.995 105 V HN 0.860 nan 8.190 nan 0.000 0.429 106 L N 3.209 124.613 121.223 0.301 0.000 2.386 106 L HA 0.807 5.147 4.340 0.000 0.000 0.271 106 L C -1.214 175.697 176.870 0.067 0.000 0.993 106 L CA 0.023 54.972 54.840 0.181 0.000 0.819 106 L CB 2.092 44.231 42.059 0.133 0.000 1.294 106 L HN 0.700 nan 8.230 nan 0.000 0.414 107 D N 2.961 123.360 120.400 -0.002 0.000 2.462 107 D HA 0.337 4.977 4.640 0.000 0.000 0.245 107 D C 0.452 176.655 176.300 -0.162 0.000 1.122 107 D CA -0.366 53.615 54.000 -0.030 0.000 0.864 107 D CB 1.459 42.310 40.800 0.085 0.000 1.098 107 D HN 0.612 nan 8.370 nan 0.000 0.541 108 R N 1.944 122.268 120.500 -0.292 0.000 2.316 108 R HA 0.301 4.641 4.340 0.000 0.000 0.202 108 R C 1.327 177.499 176.300 -0.213 0.000 1.029 108 R CA 0.624 56.520 56.100 -0.340 0.000 1.018 108 R CB -0.129 29.775 30.300 -0.661 0.000 0.888 108 R HN 0.656 nan 8.270 nan 0.000 0.471 109 G N 0.396 109.083 108.800 -0.189 0.000 2.796 109 G HA2 -0.187 3.773 3.960 0.000 0.000 0.571 109 G HA3 -0.187 3.773 3.960 0.000 0.000 0.571 109 G C -2.054 172.762 174.900 -0.140 0.000 1.370 109 G CA -0.400 44.619 45.100 -0.134 0.000 0.856 109 G HN 0.060 nan 8.290 nan 0.000 0.538 110 P HA 0.019 nan 4.420 nan 0.000 0.241 110 P C 1.502 178.653 177.300 -0.248 0.000 1.191 110 P CA 1.961 64.977 63.100 -0.140 0.000 0.771 110 P CB 0.006 31.656 31.700 -0.085 0.000 0.929 111 T N -4.581 109.782 114.554 -0.320 0.000 3.129 111 T HA 0.063 4.413 4.350 0.000 0.000 0.251 111 T C 0.306 174.628 174.700 -0.629 0.000 1.117 111 T CA -0.524 61.150 62.100 -0.710 0.000 1.034 111 T CB -0.962 67.527 68.868 -0.632 0.000 0.968 111 T HN -0.135 nan 8.240 nan 0.000 0.526 112 F N 2.801 122.473 119.950 -0.464 0.000 2.472 112 F HA 0.509 5.036 4.527 0.000 0.000 0.364 112 F C 0.240 175.797 175.800 -0.405 0.000 1.090 112 F CA -1.277 56.497 58.000 -0.377 0.000 1.188 112 F CB 0.523 39.357 39.000 -0.278 0.000 1.105 112 F HN 0.022 nan 8.300 nan 0.000 0.536 113 K N 9.199 128.982 120.400 -1.028 0.000 2.723 113 K HA 0.328 4.648 4.320 0.000 0.000 0.229 113 K C -2.621 173.229 176.600 -1.251 0.000 1.022 113 K CA -1.699 53.924 56.287 -1.107 0.000 1.045 113 K CB 1.349 33.370 32.500 -0.798 0.000 1.227 113 K HN 0.299 nan 8.250 nan 0.000 0.516 114 P HA 0.001 nan 4.420 nan 0.000 0.269 114 P C -1.426 175.658 177.300 -0.361 0.000 1.601 114 P CA 0.199 62.774 63.100 -0.876 0.000 0.831 114 P CB -0.703 30.794 31.700 -0.338 0.000 1.688 115 Y N -5.022 114.973 120.300 -0.508 0.000 2.717 115 Y HA 0.496 5.046 4.550 0.000 0.000 0.345 115 Y C -1.180 174.603 175.900 -0.194 0.000 1.187 115 Y CA -1.337 56.636 58.100 -0.210 0.000 1.128 115 Y CB -0.210 38.169 38.460 -0.134 0.000 1.360 115 Y HN -0.320 nan 8.280 nan 0.000 0.467 116 S N 1.227 117.002 115.700 0.125 0.000 2.617 116 S HA 0.807 5.277 4.470 0.000 0.000 0.283 116 S C 0.418 175.122 174.600 0.174 0.000 1.189 116 S CA 0.116 58.339 58.200 0.039 0.000 1.036 116 S CB 1.006 64.217 63.200 0.018 0.000 1.014 116 S HN 1.871 nan 8.310 nan 0.000 0.522 117 G N 1.119 109.993 108.800 0.122 0.000 2.568 117 G HA2 -0.079 3.881 3.960 0.000 0.000 0.222 117 G HA3 -0.079 3.881 3.960 0.000 0.000 0.222 117 G C -0.269 174.732 174.900 0.167 0.000 1.321 117 G CA -0.129 45.071 45.100 0.167 0.000 0.893 117 G HN 0.966 nan 8.290 nan 0.000 0.569 118 T N -1.393 113.189 114.554 0.047 0.000 2.916 118 T HA 0.758 5.108 4.350 0.000 0.000 0.292 118 T C 1.086 175.634 174.700 -0.253 0.000 1.055 118 T CA 0.755 62.803 62.100 -0.086 0.000 1.009 118 T CB 1.532 70.181 68.868 -0.366 0.000 1.118 118 T HN 2.065 nan 8.240 nan 0.000 0.497 119 A N 2.112 124.643 122.820 -0.482 0.000 2.238 119 A HA 0.380 4.700 4.320 0.000 0.000 0.210 119 A C -0.414 176.650 177.584 -0.865 0.000 1.179 119 A CA 0.234 51.792 52.037 -0.798 0.000 0.827 119 A CB -0.188 18.153 19.000 -1.099 0.000 0.856 119 A HN 0.751 nan 8.150 nan 0.000 0.488 120 Y N 0.070 120.285 120.300 -0.142 0.000 2.326 120 Y HA 0.365 4.915 4.550 0.000 0.000 0.331 120 Y C 0.092 175.910 175.900 -0.137 0.000 0.962 120 Y CA -1.185 56.859 58.100 -0.093 0.000 1.167 120 Y CB 0.818 39.265 38.460 -0.023 0.000 1.148 120 Y HN 0.248 nan 8.280 nan 0.000 0.463 121 N N 1.096 119.840 118.700 0.074 0.000 2.725 121 N HA -0.233 4.507 4.740 0.000 0.000 0.251 121 N C 0.860 176.407 175.510 0.063 0.000 1.031 121 N CA 0.773 53.868 53.050 0.075 0.000 0.720 121 N CB -0.738 37.817 38.487 0.113 0.000 0.930 121 N HN 0.926 nan 8.380 nan 0.000 0.543 122 A N -0.238 122.592 122.820 0.016 0.000 2.019 122 A HA -0.030 4.290 4.320 0.000 0.000 0.219 122 A C 2.161 179.909 177.584 0.272 0.000 1.164 122 A CA 0.951 53.062 52.037 0.124 0.000 0.644 122 A CB -0.075 18.956 19.000 0.051 0.000 0.805 122 A HN 0.438 nan 8.150 nan 0.000 0.449 123 L N -0.750 120.575 121.223 0.170 0.000 2.554 123 L HA 0.146 4.486 4.340 0.000 0.000 0.226 123 L C 1.344 178.301 176.870 0.147 0.000 1.137 123 L CA -0.021 54.903 54.840 0.139 0.000 0.863 123 L CB -0.411 41.704 42.059 0.094 0.000 0.985 123 L HN 0.367 nan 8.230 nan 0.000 0.451 124 A N 0.796 123.736 122.820 0.201 0.000 2.401 124 A HA 0.398 4.718 4.320 0.000 0.000 0.259 124 A C -2.169 175.496 177.584 0.135 0.000 1.103 124 A CA -1.152 50.989 52.037 0.173 0.000 0.789 124 A CB -0.350 18.770 19.000 0.200 0.000 1.035 124 A HN -0.052 nan 8.150 nan 0.000 0.491 125 P HA 0.010 nan 4.420 nan 0.000 0.262 125 P C 0.289 177.567 177.300 -0.037 0.000 1.182 125 P CA 0.262 63.363 63.100 0.002 0.000 0.761 125 P CB 0.406 32.119 31.700 0.021 0.000 0.795 126 K N 1.986 122.280 120.400 -0.176 0.000 2.589 126 K HA -0.070 4.250 4.320 0.000 0.000 0.195 126 K C 1.624 178.167 176.600 -0.094 0.000 1.040 126 K CA 1.257 57.387 56.287 -0.263 0.000 0.950 126 K CB -0.339 31.904 32.500 -0.429 0.000 0.781 126 K HN 0.618 nan 8.250 nan 0.000 0.486 127 G N 0.203 108.978 108.800 -0.042 0.000 2.944 127 G HA2 0.197 4.157 3.960 0.000 0.000 0.223 127 G HA3 0.197 4.157 3.960 0.000 0.000 0.223 127 G C 0.130 175.042 174.900 0.021 0.000 1.071 127 G CA -0.116 44.978 45.100 -0.011 0.000 0.806 127 G HN 0.236 nan 8.290 nan 0.000 0.538 128 A N 2.091 124.940 122.820 0.047 0.000 2.520 128 A HA 0.570 4.891 4.320 0.000 0.000 0.245 128 A C -1.943 175.704 177.584 0.105 0.000 1.072 128 A CA -0.662 51.428 52.037 0.087 0.000 0.761 128 A CB 0.370 19.433 19.000 0.106 0.000 1.004 128 A HN 0.225 nan 8.150 nan 0.000 0.499 129 P HA 0.239 nan 4.420 nan 0.000 0.283 129 P C -0.799 176.606 177.300 0.174 0.000 1.278 129 P CA -0.877 62.297 63.100 0.124 0.000 0.834 129 P CB 0.990 32.737 31.700 0.078 0.000 1.150 130 N N 0.601 119.388 118.700 0.145 0.000 2.513 130 N HA 0.246 4.986 4.740 0.000 0.000 0.274 130 N C -2.222 173.392 175.510 0.173 0.000 1.189 130 N CA -1.362 51.768 53.050 0.134 0.000 0.975 130 N CB -0.581 37.964 38.487 0.097 0.000 1.157 130 N HN 0.241 nan 8.380 nan 0.000 0.465 131 P HA 0.000 nan 4.420 nan 0.000 0.260 131 P C -0.284 177.118 177.300 0.169 0.000 1.185 131 P CA 0.082 63.255 63.100 0.121 0.000 0.763 131 P CB 0.195 31.917 31.700 0.037 0.000 0.776 132 C N 1.838 121.300 119.300 0.269 0.000 3.307 132 C HA 0.773 5.233 4.460 0.000 0.000 0.350 132 C C -0.930 174.274 174.990 0.357 0.000 1.549 132 C CA -0.802 58.383 59.018 0.279 0.000 1.396 132 C CB 1.829 29.735 27.740 0.276 0.000 1.970 132 C HN 0.511 nan 8.230 nan 0.000 0.441 133 E N -0.752 119.660 120.200 0.354 0.000 2.383 133 E HA 0.667 5.017 4.350 0.000 0.000 0.275 133 E C -1.670 175.185 176.600 0.426 0.000 0.918 133 E CA -0.217 56.356 56.400 0.289 0.000 0.764 133 E CB 2.405 32.171 29.700 0.110 0.000 1.252 133 E HN 0.901 nan 8.360 nan 0.000 0.449 134 W N 0.384 121.749 121.300 0.108 0.000 2.923 134 W HA 0.582 5.242 4.660 0.000 0.000 0.373 134 W C -1.569 175.029 176.519 0.130 0.000 1.205 134 W CA -0.596 56.800 57.345 0.085 0.000 1.180 134 W CB 0.464 29.948 29.460 0.041 0.000 1.477 134 W HN 0.189 nan 8.180 nan 0.000 0.581 166 H N 0.196 118.841 119.070 -0.709 0.000 2.573 166 H HA 0.842 5.398 4.556 0.000 0.000 0.351 166 H C -0.411 174.439 175.328 -0.796 0.000 1.163 166 H CA -0.739 54.801 56.048 -0.846 0.000 1.205 166 H CB 1.450 30.430 29.762 -1.302 0.000 1.605 166 H HN 0.386 nan 8.280 nan 0.000 0.525 167 V N 2.344 122.065 119.914 -0.322 0.000 2.656 167 V HA 0.295 4.415 4.120 0.000 0.000 0.307 167 V C -1.226 174.923 176.094 0.091 0.000 1.051 167 V CA -0.794 61.434 62.300 -0.119 0.000 0.893 167 V CB 1.754 33.470 31.823 -0.179 0.000 0.999 167 V HN 0.639 nan 8.190 nan 0.000 0.426 168 F N 3.655 123.673 119.950 0.113 0.000 2.577 168 F HA 0.850 5.377 4.527 0.000 0.000 0.344 168 F C 0.201 176.053 175.800 0.086 0.000 1.145 168 F CA -0.103 57.993 58.000 0.160 0.000 0.996 168 F CB 1.314 40.512 39.000 0.331 0.000 1.248 168 F HN 0.645 nan 8.300 nan 0.000 0.447 169 G N 4.076 112.625 108.800 -0.417 0.000 2.911 169 G HA2 0.525 4.485 3.960 0.000 0.000 0.299 169 G HA3 0.525 4.485 3.960 0.000 0.000 0.299 169 G C -2.108 172.579 174.900 -0.355 0.000 1.283 169 G CA -0.769 44.140 45.100 -0.318 0.000 0.805 169 G HN 0.633 nan 8.290 nan 0.000 0.548 170 Q N -1.161 118.526 119.800 -0.189 0.000 2.309 170 Q HA 0.609 4.949 4.340 0.000 0.000 0.273 170 Q C -1.722 174.245 176.000 -0.054 0.000 1.040 170 Q CA -0.937 54.786 55.803 -0.132 0.000 0.834 170 Q CB 2.142 30.815 28.738 -0.108 0.000 1.345 170 Q HN 1.070 nan 8.270 nan 0.000 0.414 171 A N 4.696 127.498 122.820 -0.030 0.000 2.431 171 A HA 0.511 4.831 4.320 0.000 0.000 0.318 171 A C -2.250 175.356 177.584 0.037 0.000 1.330 171 A CA -1.211 50.842 52.037 0.026 0.000 0.804 171 A CB 0.761 19.783 19.000 0.038 0.000 1.135 171 A HN 0.732 nan 8.150 nan 0.000 0.483 172 P HA 0.004 nan 4.420 nan 0.000 0.238 172 P C 0.016 177.367 177.300 0.084 0.000 1.183 172 P CA 0.452 63.587 63.100 0.057 0.000 0.813 172 P CB 0.116 31.851 31.700 0.059 0.000 0.944 173 Y N 1.546 121.849 120.300 0.004 0.000 2.335 173 Y HA 0.366 4.916 4.550 0.000 0.000 0.331 173 Y C 0.288 176.200 175.900 0.021 0.000 1.094 173 Y CA -0.396 57.706 58.100 0.003 0.000 1.253 173 Y CB 0.721 39.174 38.460 -0.012 0.000 1.203 173 Y HN -0.211 nan 8.280 nan 0.000 0.508 174 S N 5.106 120.401 115.700 -0.674 0.000 2.420 174 S HA 0.674 5.144 4.470 0.000 0.000 0.313 174 S C 0.022 174.257 174.600 -0.608 0.000 1.079 174 S CA -0.218 57.722 58.200 -0.432 0.000 1.104 174 S CB -0.313 62.727 63.200 -0.267 0.000 0.969 174 S HN 1.054 nan 8.310 nan 0.000 0.471 175 G N 3.532 112.210 108.800 -0.203 0.000 2.552 175 G HA2 0.512 4.472 3.960 0.000 0.000 0.318 175 G HA3 0.512 4.472 3.960 0.000 0.000 0.318 175 G C 0.823 175.697 174.900 -0.043 0.000 1.240 175 G CA -0.811 44.265 45.100 -0.040 0.000 1.002 175 G HN 0.697 nan 8.290 nan 0.000 0.493 176 I N -0.545 119.980 120.570 -0.076 0.000 2.193 176 I HA 0.008 4.178 4.170 0.000 0.000 0.240 176 I C 0.980 176.850 176.117 -0.412 0.000 1.084 176 I CA 1.067 62.265 61.300 -0.170 0.000 1.365 176 I CB 0.063 37.977 38.000 -0.143 0.000 1.064 176 I HN 0.457 nan 8.210 nan 0.000 0.410 177 N N -0.978 117.509 118.700 -0.356 0.000 2.825 177 N HA 0.483 5.223 4.740 0.000 0.000 0.253 177 N C -1.570 173.933 175.510 -0.012 0.000 1.426 177 N CA -0.591 52.149 53.050 -0.516 0.000 0.851 177 N CB 1.674 39.973 38.487 -0.314 0.000 1.470 177 N HN -0.058 nan 8.380 nan 0.000 0.517 178 I N 1.252 121.956 120.570 0.223 0.000 2.447 178 I HA 0.421 4.591 4.170 0.000 0.000 0.287 178 I C -0.160 176.127 176.117 0.284 0.000 1.023 178 I CA -0.514 60.986 61.300 0.333 0.000 1.083 178 I CB 1.820 40.057 38.000 0.396 0.000 1.245 178 I HN 0.712 nan 8.210 nan 0.000 0.434 179 T N 1.106 115.853 114.554 0.321 0.000 2.742 179 T HA 0.361 4.711 4.350 0.000 0.000 0.282 179 T C 0.627 175.403 174.700 0.125 0.000 1.025 179 T CA -0.726 61.478 62.100 0.175 0.000 1.020 179 T CB 1.749 70.733 68.868 0.193 0.000 1.317 179 T HN 0.383 nan 8.240 nan 0.000 0.538 180 K N 0.380 120.740 120.400 -0.068 0.000 2.442 180 K HA 0.003 4.323 4.320 0.000 0.000 0.198 180 K C 1.676 178.301 176.600 0.041 0.000 1.044 180 K CA 1.233 57.456 56.287 -0.107 0.000 0.948 180 K CB -0.379 32.017 32.500 -0.172 0.000 0.762 180 K HN 0.564 nan 8.250 nan 0.000 0.472 181 E N -0.286 119.839 120.200 -0.125 0.000 2.435 181 E HA 0.100 4.450 4.350 0.000 0.000 0.195 181 E C 0.888 177.349 176.600 -0.232 0.000 1.029 181 E CA 0.765 56.894 56.400 -0.452 0.000 0.865 181 E CB 0.229 29.064 29.700 -1.441 0.000 0.833 181 E HN 0.425 nan 8.360 nan 0.000 0.510 182 G N 1.678 110.555 108.800 0.129 0.000 2.384 182 G HA2 -0.191 3.769 3.960 0.000 0.000 0.204 182 G HA3 -0.191 3.769 3.960 0.000 0.000 0.204 182 G C -0.283 174.878 174.900 0.435 0.000 1.237 182 G CA -0.422 44.814 45.100 0.227 0.000 1.060 182 G HN 0.217 nan 8.290 nan 0.000 0.514 183 I N -1.406 119.417 120.570 0.422 0.000 2.474 183 I HA 0.655 4.825 4.170 0.000 0.000 0.287 183 I C 0.269 176.554 176.117 0.279 0.000 1.048 183 I CA -0.508 61.003 61.300 0.352 0.000 1.383 183 I CB 1.398 39.595 38.000 0.328 0.000 1.412 183 I HN 0.686 nan 8.210 nan 0.000 0.531 184 Q N 6.169 126.026 119.800 0.094 0.000 2.296 184 Q HA 0.345 4.685 4.340 0.000 0.000 0.257 184 Q C 0.534 176.513 176.000 -0.036 0.000 0.942 184 Q CA -0.554 55.137 55.803 -0.186 0.000 0.939 184 Q CB 1.438 29.971 28.738 -0.342 0.000 1.198 184 Q HN 0.933 nan 8.270 nan 0.000 0.429 185 I N 0.558 121.103 120.570 -0.041 0.000 3.793 185 I HA 0.475 4.645 4.170 0.000 0.000 0.315 185 I C 0.630 176.750 176.117 0.004 0.000 1.275 185 I CA 0.206 61.538 61.300 0.053 0.000 1.214 185 I CB 0.244 38.239 38.000 -0.008 0.000 1.018 185 I HN 0.651 nan 8.210 nan 0.000 0.439 186 G N 1.374 110.129 108.800 -0.076 0.000 2.398 186 G HA2 0.357 4.317 3.960 0.000 0.000 0.251 186 G HA3 0.357 4.317 3.960 0.000 0.000 0.251 186 G C -1.157 173.677 174.900 -0.111 0.000 1.277 186 G CA 0.046 45.103 45.100 -0.072 0.000 0.927 186 G HN 0.722 nan 8.290 nan 0.000 0.477 187 V N -3.420 116.451 119.914 -0.071 0.000 2.766 187 V HA 0.593 4.713 4.120 0.000 0.000 0.286 187 V C -0.648 175.427 176.094 -0.032 0.000 1.237 187 V CA -0.815 61.446 62.300 -0.066 0.000 0.934 187 V CB 1.288 33.069 31.823 -0.070 0.000 1.068 187 V HN 0.803 nan 8.190 nan 0.000 0.451 188 E N 3.828 124.016 120.200 -0.018 0.000 1.833 188 E HA 0.398 4.748 4.350 0.000 0.000 0.258 188 E C 1.328 177.926 176.600 -0.003 0.000 1.257 188 E CA 0.994 57.391 56.400 -0.005 0.000 1.003 188 E CB 0.379 30.082 29.700 0.006 0.000 1.068 188 E HN 1.472 nan 8.360 nan 0.000 0.422 189 G N 3.841 112.637 108.800 -0.006 0.000 3.377 189 G HA2 -0.428 3.532 3.960 0.000 0.000 0.304 189 G HA3 -0.428 3.532 3.960 0.000 0.000 0.304 189 G C 0.879 175.774 174.900 -0.007 0.000 1.366 189 G CA 0.416 45.513 45.100 -0.004 0.000 1.020 189 G HN 0.548 nan 8.290 nan 0.000 0.621 190 Q N 0.330 120.128 119.800 -0.003 0.000 2.378 190 Q HA 0.244 4.584 4.340 0.000 0.000 0.229 190 Q C 0.713 176.711 176.000 -0.003 0.000 0.882 190 Q CA 0.799 56.600 55.803 -0.003 0.000 0.936 190 Q CB 0.787 29.526 28.738 0.001 0.000 1.092 190 Q HN 0.545 nan 8.270 nan 0.000 0.535 191 T N 2.550 117.104 114.554 0.001 0.000 2.899 191 T HA 0.313 4.663 4.350 0.000 0.000 0.284 191 T C -2.542 172.147 174.700 -0.018 0.000 1.004 191 T CA -1.391 60.713 62.100 0.007 0.000 1.043 191 T CB 1.241 70.124 68.868 0.024 0.000 1.013 191 T HN -0.143 nan 8.240 nan 0.000 0.518 192 P HA 0.390 nan 4.420 nan 0.000 0.301 192 P C -0.854 176.336 177.300 -0.183 0.000 1.348 192 P CA -0.864 62.152 63.100 -0.140 0.000 0.826 192 P CB 0.720 32.312 31.700 -0.181 0.000 0.945 193 K N 3.359 123.644 120.400 -0.192 0.000 2.234 193 K HA 0.348 4.668 4.320 0.000 0.000 0.282 193 K C -0.317 176.138 176.600 -0.241 0.000 1.039 193 K CA -0.289 55.928 56.287 -0.117 0.000 0.928 193 K CB 0.178 32.645 32.500 -0.055 0.000 1.039 193 K HN 0.425 nan 8.250 nan 0.000 0.470 194 Y N -0.086 120.219 120.300 0.007 0.000 2.487 194 Y HA 0.455 5.005 4.550 0.000 0.000 0.337 194 Y C 0.656 176.531 175.900 -0.040 0.000 1.076 194 Y CA -1.105 57.001 58.100 0.010 0.000 1.115 194 Y CB 1.546 40.027 38.460 0.036 0.000 1.235 194 Y HN 0.620 nan 8.280 nan 0.000 0.468 195 A N 1.501 124.378 122.820 0.095 0.000 2.498 195 A HA 0.050 4.370 4.320 0.000 0.000 0.239 195 A C -0.143 177.351 177.584 -0.150 0.000 1.068 195 A CA -0.287 51.665 52.037 -0.142 0.000 0.766 195 A CB -0.063 18.766 19.000 -0.285 0.000 1.003 195 A HN 0.708 nan 8.150 nan 0.000 0.497 196 D N 2.054 122.254 120.400 -0.334 0.000 2.352 196 D HA 0.097 4.737 4.640 0.000 0.000 0.245 196 D C 1.021 177.135 176.300 -0.309 0.000 1.224 196 D CA -0.006 53.840 54.000 -0.256 0.000 0.879 196 D CB 0.487 41.131 40.800 -0.260 0.000 1.057 196 D HN 0.550 nan 8.370 nan 0.000 0.491 197 K N 1.295 121.643 120.400 -0.086 0.000 2.127 197 K HA -0.238 4.082 4.320 0.000 0.000 0.212 197 K C 1.903 178.481 176.600 -0.038 0.000 1.050 197 K CA 2.090 58.384 56.287 0.013 0.000 0.929 197 K CB -0.256 32.342 32.500 0.164 0.000 0.715 197 K HN 0.566 nan 8.250 nan 0.000 0.457 198 T N -1.076 113.488 114.554 0.017 0.000 2.881 198 T HA -0.168 4.182 4.350 0.000 0.000 0.270 198 T C 1.487 176.282 174.700 0.159 0.000 1.068 198 T CA 1.364 63.525 62.100 0.101 0.000 1.131 198 T CB -0.310 68.658 68.868 0.167 0.000 0.871 198 T HN 0.467 nan 8.240 nan 0.000 0.479 199 F N -0.906 118.984 119.950 -0.101 0.000 3.031 199 F HA 0.528 5.055 4.527 0.000 0.000 0.365 199 F C -0.120 175.569 175.800 -0.185 0.000 1.128 199 F CA -1.202 56.728 58.000 -0.116 0.000 1.068 199 F CB 0.339 39.290 39.000 -0.082 0.000 1.280 199 F HN 0.016 nan 8.300 nan 0.000 0.529 200 Q N 3.849 123.157 119.800 -0.821 0.000 2.342 200 Q HA 0.470 4.810 4.340 0.000 0.000 0.267 200 Q C -2.667 172.802 176.000 -0.885 0.000 1.038 200 Q CA -2.345 52.965 55.803 -0.821 0.000 0.832 200 Q CB 2.529 30.687 28.738 -0.966 0.000 1.323 200 Q HN -0.029 nan 8.270 nan 0.000 0.448 201 P HA 0.027 nan 4.420 nan 0.000 0.274 201 P C -0.971 176.138 177.300 -0.319 0.000 1.256 201 P CA -0.232 62.533 63.100 -0.558 0.000 0.795 201 P CB 0.857 32.277 31.700 -0.466 0.000 1.038 202 E N 1.341 121.415 120.200 -0.212 0.000 2.174 202 E HA 0.177 4.527 4.350 0.000 0.000 0.282 202 E C -1.718 174.871 176.600 -0.018 0.000 0.992 202 E CA -1.793 54.572 56.400 -0.059 0.000 0.803 202 E CB 0.590 30.299 29.700 0.014 0.000 1.090 202 E HN 0.308 nan 8.360 nan 0.000 0.396 203 P HA -0.276 nan 4.420 nan 0.000 0.217 203 P C 0.859 178.183 177.300 0.041 0.000 1.148 203 P CA 1.505 64.620 63.100 0.024 0.000 0.834 203 P CB 0.164 31.881 31.700 0.028 0.000 0.783 204 Q N -1.011 118.814 119.800 0.043 0.000 2.224 204 Q HA -0.017 4.323 4.340 0.000 0.000 0.203 204 Q C 0.723 176.759 176.000 0.059 0.000 0.970 204 Q CA 0.675 56.509 55.803 0.051 0.000 0.865 204 Q CB -0.529 28.239 28.738 0.049 0.000 0.922 204 Q HN 0.287 nan 8.270 nan 0.000 0.445 205 I N 0.820 121.432 120.570 0.070 0.000 2.428 205 I HA 0.536 4.706 4.170 0.000 0.000 0.296 205 I C 0.361 176.552 176.117 0.124 0.000 0.985 205 I CA -0.564 60.798 61.300 0.104 0.000 1.260 205 I CB 1.616 39.701 38.000 0.141 0.000 1.389 205 I HN 0.124 nan 8.210 nan 0.000 0.484 206 G N 3.928 112.784 108.800 0.094 0.000 2.663 206 G HA2 0.337 4.297 3.960 0.000 0.000 0.299 206 G HA3 0.337 4.297 3.960 0.000 0.000 0.299 206 G C -1.346 173.558 174.900 0.007 0.000 1.372 206 G CA -0.652 44.481 45.100 0.057 0.000 0.781 206 G HN 0.507 nan 8.290 nan 0.000 0.491 207 E N -0.046 120.136 120.200 -0.031 0.000 2.415 207 E HA 0.139 4.489 4.350 0.000 0.000 0.262 207 E C 1.310 177.874 176.600 -0.058 0.000 1.038 207 E CA 0.597 56.955 56.400 -0.070 0.000 0.921 207 E CB 1.310 30.954 29.700 -0.093 0.000 0.950 207 E HN 0.488 nan 8.360 nan 0.000 0.438 208 S N 2.320 117.974 115.700 -0.078 0.000 2.406 208 S HA -0.119 4.351 4.470 0.000 0.000 0.224 208 S C 0.637 175.179 174.600 -0.096 0.000 1.030 208 S CA 0.044 58.207 58.200 -0.061 0.000 0.958 208 S CB 0.068 63.239 63.200 -0.049 0.000 0.811 208 S HN 0.427 nan 8.310 nan 0.000 0.489 209 Q N 1.434 121.098 119.800 -0.226 0.000 2.317 209 Q HA 0.307 4.647 4.340 0.000 0.000 0.229 209 Q C 1.054 176.831 176.000 -0.370 0.000 0.984 209 Q CA -0.648 54.909 55.803 -0.410 0.000 0.911 209 Q CB -0.018 28.178 28.738 -0.905 0.000 1.217 209 Q HN 0.655 nan 8.270 nan 0.000 0.501 210 W N 0.347 121.454 121.300 -0.320 0.000 2.576 210 W HA 0.063 4.723 4.660 0.000 0.000 0.270 210 W C -0.280 176.174 176.519 -0.109 0.000 1.255 210 W CA -0.324 56.931 57.345 -0.151 0.000 1.314 210 W CB -0.563 28.875 29.460 -0.037 0.000 1.101 210 W HN 0.636 nan 8.180 nan 0.000 0.595 211 Y N 1.554 121.360 120.300 -0.823 0.000 2.304 211 Y HA 0.508 5.058 4.550 0.000 0.000 0.327 211 Y C 0.173 175.891 175.900 -0.304 0.000 1.209 211 Y CA -2.177 55.522 58.100 -0.668 0.000 1.299 211 Y CB 0.031 37.812 38.460 -1.131 0.000 1.249 211 Y HN -0.084 nan 8.280 nan 0.000 0.519 212 E N 1.489 121.722 120.200 0.056 0.000 2.351 212 E HA 0.026 4.376 4.350 0.000 0.000 0.266 212 E C -0.003 176.649 176.600 0.087 0.000 1.031 212 E CA 0.170 56.593 56.400 0.039 0.000 0.911 212 E CB 0.798 30.518 29.700 0.034 0.000 0.986 212 E HN 0.836 nan 8.360 nan 0.000 0.446 213 T N 3.187 117.772 114.554 0.053 0.000 3.069 213 T HA -0.009 4.341 4.350 0.000 0.000 0.252 213 T C -0.620 174.088 174.700 0.013 0.000 1.053 213 T CA -0.026 62.112 62.100 0.063 0.000 0.964 213 T CB 0.015 68.918 68.868 0.057 0.000 1.005 213 T HN 0.607 nan 8.240 nan 0.000 0.532 214 E N 1.152 121.352 120.200 0.001 0.000 5.234 214 E HA -0.123 4.227 4.350 0.000 0.000 0.170 214 E C -0.878 175.714 176.600 -0.012 0.000 1.556 214 E CA -0.053 56.342 56.400 -0.008 0.000 1.185 214 E CB -1.092 28.603 29.700 -0.008 0.000 1.023 214 E HN 0.519 nan 8.360 nan 0.000 0.337 215 I N 3.025 123.584 120.570 -0.019 0.000 2.416 215 I HA 0.049 4.219 4.170 0.000 0.000 0.288 215 I C 1.537 177.639 176.117 -0.025 0.000 1.051 215 I CA -0.267 61.022 61.300 -0.017 0.000 1.375 215 I CB 0.594 38.578 38.000 -0.027 0.000 1.407 215 I HN 0.415 nan 8.210 nan 0.000 0.516 216 N N 3.504 122.192 118.700 -0.020 0.000 2.402 216 N HA 0.009 4.749 4.740 0.000 0.000 0.174 216 N C -0.130 175.162 175.510 -0.363 0.000 1.027 216 N CA 0.767 53.722 53.050 -0.158 0.000 0.891 216 N CB 0.248 38.652 38.487 -0.138 0.000 1.016 216 N HN 0.566 nan 8.380 nan 0.000 0.439 217 H N -0.085 118.997 119.070 0.020 0.000 2.736 217 H HA 0.586 5.142 4.556 0.000 0.000 0.271 217 H C -0.577 174.782 175.328 0.051 0.000 1.184 217 H CA -0.523 55.556 56.048 0.051 0.000 1.378 217 H CB 1.060 30.855 29.762 0.054 0.000 1.428 217 H HN 0.077 nan 8.280 nan 0.000 0.500 218 A N 2.130 125.025 122.820 0.125 0.000 2.311 218 A HA 0.937 5.257 4.320 0.000 0.000 0.334 218 A C -0.423 177.269 177.584 0.180 0.000 1.139 218 A CA -0.224 51.884 52.037 0.119 0.000 0.830 218 A CB 0.926 19.963 19.000 0.062 0.000 1.234 218 A HN 0.701 nan 8.150 nan 0.000 0.483 219 A N -0.248 122.702 122.820 0.216 0.000 2.527 219 A HA 0.992 5.312 4.320 0.000 0.000 0.293 219 A C -0.089 177.606 177.584 0.185 0.000 1.117 219 A CA -0.116 52.067 52.037 0.243 0.000 0.723 219 A CB 1.634 20.818 19.000 0.307 0.000 1.313 219 A HN 2.430 nan 8.150 nan 0.000 0.411 220 G N -0.246 108.657 108.800 0.171 0.000 2.495 220 G HA2 0.580 4.540 3.960 0.000 0.000 0.294 220 G HA3 0.580 4.540 3.960 0.000 0.000 0.294 220 G C -1.683 173.289 174.900 0.121 0.000 1.397 220 G CA -0.888 44.274 45.100 0.103 0.000 0.790 220 G HN 0.740 nan 8.290 nan 0.000 0.486 221 R N -1.089 119.453 120.500 0.070 0.000 2.711 221 R HA 0.807 5.147 4.340 0.000 0.000 0.284 221 R C -1.161 175.180 176.300 0.068 0.000 0.968 221 R CA -0.848 55.301 56.100 0.082 0.000 0.924 221 R CB 2.518 32.840 30.300 0.037 0.000 1.162 221 R HN 0.508 nan 8.270 nan 0.000 0.465 222 V N 3.208 123.170 119.914 0.080 0.000 3.159 222 V HA 0.505 4.625 4.120 0.000 0.000 0.308 222 V C -1.442 174.697 176.094 0.075 0.000 1.190 222 V CA -0.978 61.364 62.300 0.071 0.000 1.037 222 V CB 2.549 34.413 31.823 0.068 0.000 1.060 222 V HN 0.566 nan 8.190 nan 0.000 0.437 223 L N 4.127 125.400 121.223 0.082 0.000 2.282 223 L HA 0.536 4.876 4.340 0.000 0.000 0.288 223 L C 0.298 177.220 176.870 0.088 0.000 1.033 223 L CA -0.591 54.295 54.840 0.077 0.000 0.807 223 L CB 1.395 43.500 42.059 0.077 0.000 1.209 223 L HN 0.603 nan 8.230 nan 0.000 0.423 224 K N 1.974 122.416 120.400 0.070 0.000 2.336 224 K HA -0.020 4.300 4.320 0.000 0.000 0.262 224 K C 1.031 177.682 176.600 0.085 0.000 0.992 224 K CA -0.105 56.223 56.287 0.068 0.000 0.927 224 K CB 0.670 33.198 32.500 0.048 0.000 0.956 224 K HN 0.545 nan 8.250 nan 0.000 0.495 225 K N -0.240 120.215 120.400 0.091 0.000 2.442 225 K HA -0.111 4.209 4.320 0.000 0.000 0.198 225 K C 1.139 177.792 176.600 0.090 0.000 1.044 225 K CA 1.676 58.032 56.287 0.116 0.000 0.948 225 K CB -0.223 32.346 32.500 0.115 0.000 0.762 225 K HN 0.619 nan 8.250 nan 0.000 0.472 226 T N -1.878 112.715 114.554 0.065 0.000 3.085 226 T HA -0.009 4.341 4.350 0.000 0.000 0.263 226 T C 0.665 175.392 174.700 0.044 0.000 1.127 226 T CA 0.193 62.323 62.100 0.049 0.000 1.103 226 T CB -0.123 68.767 68.868 0.036 0.000 0.921 226 T HN 0.044 nan 8.240 nan 0.000 0.510 227 T N 5.156 119.740 114.554 0.051 0.000 2.744 227 T HA 0.392 4.742 4.350 0.000 0.000 0.291 227 T C -2.541 172.189 174.700 0.049 0.000 0.957 227 T CA -1.372 60.753 62.100 0.041 0.000 1.002 227 T CB 1.361 70.252 68.868 0.038 0.000 0.919 227 T HN 0.194 nan 8.240 nan 0.000 0.468 228 P HA 0.053 nan 4.420 nan 0.000 0.266 228 P C -0.313 177.008 177.300 0.036 0.000 1.195 228 P CA -0.264 62.857 63.100 0.034 0.000 0.768 228 P CB 0.613 32.326 31.700 0.022 0.000 0.838 229 M N 3.152 122.771 119.600 0.032 0.000 2.217 229 M HA 0.133 4.613 4.480 0.000 0.000 0.354 229 M C 0.211 176.520 176.300 0.015 0.000 1.225 229 M CA 0.630 55.947 55.300 0.028 0.000 1.137 229 M CB 0.275 32.875 32.600 -0.001 0.000 1.576 229 M HN 0.194 nan 8.290 nan 0.000 0.461 230 K N 4.504 124.921 120.400 0.030 0.000 2.527 230 K HA 0.527 4.847 4.320 0.000 0.000 0.260 230 K C -2.750 173.882 176.600 0.053 0.000 0.937 230 K CA -1.801 54.507 56.287 0.034 0.000 0.826 230 K CB 1.697 34.220 32.500 0.039 0.000 1.359 230 K HN 0.298 nan 8.250 nan 0.000 0.434 231 P HA 0.029 nan 4.420 nan 0.000 0.268 231 P C 0.921 178.293 177.300 0.121 0.000 1.208 231 P CA -0.157 62.997 63.100 0.091 0.000 0.777 231 P CB 0.599 32.360 31.700 0.102 0.000 0.875 232 C N 3.326 122.708 119.300 0.136 0.000 2.413 232 C HA -0.165 4.295 4.460 0.000 0.000 0.276 232 C C 1.380 176.475 174.990 0.175 0.000 1.236 232 C CA 0.442 59.545 59.018 0.141 0.000 1.735 232 C CB -1.580 26.245 27.740 0.141 0.000 2.031 232 C HN 0.524 nan 8.230 nan 0.000 0.474 233 Y N 1.209 121.553 120.300 0.073 0.000 2.745 233 Y HA 0.367 4.917 4.550 0.000 0.000 0.335 233 Y C 1.220 177.180 175.900 0.100 0.000 1.212 233 Y CA 1.295 59.443 58.100 0.080 0.000 1.535 233 Y CB -0.058 38.432 38.460 0.050 0.000 1.220 233 Y HN 0.660 nan 8.280 nan 0.000 0.531 234 G N 3.017 111.690 108.800 -0.212 0.000 2.195 234 G HA2 -0.278 3.682 3.960 0.000 0.000 0.246 234 G HA3 -0.278 3.682 3.960 0.000 0.000 0.246 234 G C 0.235 175.195 174.900 0.100 0.000 0.984 234 G CA 0.141 45.209 45.100 -0.054 0.000 0.633 234 G HN 0.716 nan 8.290 nan 0.000 0.525 235 S N 0.224 115.974 115.700 0.084 0.000 2.531 235 S HA 0.557 5.027 4.470 0.000 0.000 0.279 235 S C -0.478 174.109 174.600 -0.022 0.000 1.305 235 S CA 0.070 58.296 58.200 0.043 0.000 1.058 235 S CB 1.001 64.229 63.200 0.048 0.000 0.899 235 S HN 0.752 nan 8.310 nan 0.000 0.493 236 Y N 1.409 121.540 120.300 -0.281 0.000 2.534 236 Y HA 0.626 5.176 4.550 0.000 0.000 0.345 236 Y C -1.100 174.653 175.900 -0.245 0.000 1.031 236 Y CA -0.994 56.827 58.100 -0.464 0.000 1.022 236 Y CB 1.403 39.261 38.460 -1.002 0.000 1.292 236 Y HN 0.668 nan 8.280 nan 0.000 0.459 237 A N 5.693 127.808 122.820 -1.175 0.000 2.485 237 A HA 0.479 4.799 4.320 0.000 0.000 0.285 237 A C -1.459 175.551 177.584 -0.958 0.000 1.045 237 A CA -0.999 50.535 52.037 -0.838 0.000 0.792 237 A CB 0.677 19.456 19.000 -0.367 0.000 1.307 237 A HN 0.803 nan 8.150 nan 0.000 0.406 238 K N 3.287 123.226 120.400 -0.770 0.000 2.485 238 K HA 0.350 4.670 4.320 0.000 0.000 0.277 238 K C -2.401 174.084 176.600 -0.191 0.000 0.990 238 K CA -0.662 55.416 56.287 -0.349 0.000 0.994 238 K CB 0.355 32.804 32.500 -0.084 0.000 0.906 238 K HN 0.349 nan 8.250 nan 0.000 0.488 239 P HA 0.010 nan 4.420 nan 0.000 0.278 239 P C -0.109 177.170 177.300 -0.036 0.000 1.238 239 P CA -0.398 62.668 63.100 -0.057 0.000 0.794 239 P CB 1.309 32.994 31.700 -0.026 0.000 0.955 240 T N -1.719 112.818 114.554 -0.028 0.000 3.092 240 T HA 0.199 4.549 4.350 0.000 0.000 0.258 240 T C 0.218 174.910 174.700 -0.013 0.000 1.031 240 T CA -0.302 61.788 62.100 -0.017 0.000 0.925 240 T CB -0.762 68.099 68.868 -0.011 0.000 1.036 240 T HN 0.592 nan 8.240 nan 0.000 0.544 241 N N -0.695 117.991 118.700 -0.024 0.000 2.484 241 N HA 0.234 4.974 4.740 0.000 0.000 0.269 241 N C 0.171 175.634 175.510 -0.078 0.000 1.237 241 N CA -0.992 52.033 53.050 -0.042 0.000 0.838 241 N CB 1.270 39.739 38.487 -0.030 0.000 1.593 241 N HN -0.007 nan 8.380 nan 0.000 0.485 242 E N -0.162 119.980 120.200 -0.096 0.000 2.396 242 E HA -0.172 4.178 4.350 0.000 0.000 0.200 242 E C -0.052 176.435 176.600 -0.187 0.000 1.023 242 E CA 0.962 57.294 56.400 -0.114 0.000 0.857 242 E CB -0.097 29.541 29.700 -0.102 0.000 0.775 242 E HN 0.488 nan 8.360 nan 0.000 0.525 243 N N -0.610 117.912 118.700 -0.297 0.000 2.322 243 N HA 0.039 4.779 4.740 0.000 0.000 0.194 243 N C 0.851 176.206 175.510 -0.259 0.000 1.126 243 N CA 0.832 53.582 53.050 -0.500 0.000 0.845 243 N CB 1.256 38.939 38.487 -1.340 0.000 0.976 243 N HN 0.321 nan 8.380 nan 0.000 0.475 244 G N -0.030 108.699 108.800 -0.119 0.000 2.175 244 G HA2 -0.216 3.744 3.960 0.000 0.000 0.244 244 G HA3 -0.216 3.744 3.960 0.000 0.000 0.244 244 G C 0.502 175.405 174.900 0.006 0.000 0.982 244 G CA -0.080 44.999 45.100 -0.035 0.000 0.641 244 G HN 0.557 nan 8.290 nan 0.000 0.527 245 G N -0.562 108.257 108.800 0.031 0.000 2.544 245 G HA2 0.473 4.434 3.960 0.000 0.000 0.242 245 G HA3 0.473 4.434 3.960 0.000 0.000 0.242 245 G C 0.355 175.257 174.900 0.004 0.000 1.247 245 G CA 0.087 45.221 45.100 0.056 0.000 0.840 245 G HN 0.463 nan 8.290 nan 0.000 0.578 246 Q N 1.300 121.095 119.800 -0.009 0.000 2.233 246 Q HA 0.221 4.561 4.340 0.000 0.000 0.340 246 Q C 1.747 177.731 176.000 -0.027 0.000 0.899 246 Q CA -0.093 55.684 55.803 -0.043 0.000 1.139 246 Q CB 1.185 29.870 28.738 -0.088 0.000 1.273 246 Q HN 0.710 nan 8.270 nan 0.000 0.431 247 G N 0.565 109.364 108.800 -0.002 0.000 2.418 247 G HA2 -0.077 3.883 3.960 0.000 0.000 0.217 247 G HA3 -0.077 3.883 3.960 0.000 0.000 0.217 247 G C 0.951 175.852 174.900 0.001 0.000 1.158 247 G CA 1.156 46.260 45.100 0.007 0.000 0.771 247 G HN 0.416 nan 8.290 nan 0.000 0.545 248 I N -3.642 116.925 120.570 -0.004 0.000 1.251 248 I HA -0.007 4.163 4.170 0.000 0.000 0.295 248 I C -0.620 175.496 176.117 -0.002 0.000 0.524 248 I CA -0.304 60.994 61.300 -0.004 0.000 3.160 248 I CB -0.118 37.884 38.000 0.003 0.000 1.706 248 I HN 0.017 nan 8.210 nan 0.000 0.523 249 L N 1.129 122.354 121.223 0.003 0.000 3.065 249 L HA 0.006 4.346 4.340 0.000 0.000 0.429 249 L C -0.891 175.982 176.870 0.004 0.000 0.956 249 L CA -0.403 54.440 54.840 0.004 0.000 1.409 249 L CB -0.922 41.138 42.059 0.001 0.000 1.708 249 L HN 0.170 nan 8.230 nan 0.000 0.428 250 V N 0.927 120.844 119.914 0.005 0.000 2.668 250 V HA 0.811 4.931 4.120 0.000 0.000 0.304 250 V C -0.045 176.052 176.094 0.006 0.000 1.071 250 V CA 0.089 62.392 62.300 0.005 0.000 0.894 250 V CB 1.810 33.636 31.823 0.005 0.000 1.008 250 V HN 0.394 nan 8.190 nan 0.000 0.425 251 K N 3.581 123.984 120.400 0.005 0.000 2.972 251 K HA -0.196 4.124 4.320 0.000 0.000 0.853 251 K C 0.687 177.290 176.600 0.006 0.000 2.102 251 K CA 0.699 56.989 56.287 0.005 0.000 1.382 251 K CB -0.722 31.782 32.500 0.005 0.000 2.605 251 K HN 0.939 nan 8.250 nan 0.000 0.218 252 Q N 0.934 120.737 119.800 0.005 0.000 2.331 252 Q HA 0.067 4.407 4.340 0.000 0.000 0.203 252 Q C 0.235 176.237 176.000 0.003 0.000 0.944 252 Q CA 0.900 56.706 55.803 0.004 0.000 0.892 252 Q CB 0.478 29.218 28.738 0.003 0.000 0.983 252 Q HN 0.395 nan 8.270 nan 0.000 0.482 253 Q N -1.227 118.575 119.800 0.003 0.000 2.756 253 Q HA 0.190 4.530 4.340 0.000 0.000 0.295 253 Q C -0.869 175.133 176.000 0.003 0.000 0.903 253 Q CA -0.718 55.086 55.803 0.003 0.000 0.768 253 Q CB 1.008 29.747 28.738 0.002 0.000 1.472 253 Q HN 0.051 nan 8.270 nan 0.000 0.416 254 N N -0.321 118.380 118.700 0.002 0.000 1.366 254 N HA -0.263 4.477 4.740 0.000 0.000 0.141 254 N C 0.239 175.750 175.510 0.003 0.000 0.460 254 N CA 2.049 55.100 53.050 0.002 0.000 1.090 254 N CB -1.522 36.966 38.487 0.002 0.000 1.396 254 N HN 0.762 nan 8.380 nan 0.000 0.443 255 G N 1.515 110.316 108.800 0.003 0.000 2.415 255 G HA2 0.492 4.452 3.960 0.000 0.000 0.269 255 G HA3 0.492 4.452 3.960 0.000 0.000 0.269 255 G C -0.103 174.800 174.900 0.005 0.000 1.209 255 G CA 0.139 45.241 45.100 0.004 0.000 0.835 255 G HN 0.735 nan 8.290 nan 0.000 0.534 256 K N 2.408 122.810 120.400 0.005 0.000 2.568 256 K HA 0.301 4.621 4.320 0.000 0.000 0.273 256 K C -0.568 176.035 176.600 0.006 0.000 0.951 256 K CA -0.818 55.472 56.287 0.006 0.000 0.854 256 K CB 0.874 33.378 32.500 0.006 0.000 1.424 256 K HN 0.336 nan 8.250 nan 0.000 0.427 257 L N 0.896 122.123 121.223 0.007 0.000 2.240 257 L HA 0.037 4.377 4.340 0.000 0.000 0.166 257 L C 1.482 178.358 176.870 0.010 0.000 0.893 257 L CA 0.127 54.972 54.840 0.009 0.000 1.058 257 L CB -0.266 41.801 42.059 0.012 0.000 1.371 257 L HN 0.662 nan 8.230 nan 0.000 0.480 258 E N -0.584 119.624 120.200 0.013 0.000 2.683 258 E HA -0.025 4.325 4.350 0.000 0.000 0.266 258 E C 0.689 177.298 176.600 0.015 0.000 1.434 258 E CA 0.282 56.692 56.400 0.017 0.000 1.137 258 E CB 0.363 30.076 29.700 0.022 0.000 0.992 258 E HN 0.573 nan 8.360 nan 0.000 0.607 259 S N -0.716 114.995 115.700 0.019 0.000 2.836 259 S HA 0.182 4.652 4.470 0.000 0.000 0.164 259 S C 0.422 175.032 174.600 0.017 0.000 0.714 259 S CA -0.458 57.752 58.200 0.016 0.000 0.906 259 S CB 0.405 63.616 63.200 0.017 0.000 0.702 259 S HN 0.471 nan 8.310 nan 0.000 0.571 260 Q N -0.962 118.851 119.800 0.021 0.000 2.397 260 Q HA 0.570 4.910 4.340 0.000 0.000 0.384 260 Q C -1.548 174.469 176.000 0.029 0.000 0.574 260 Q CA -0.360 55.455 55.803 0.020 0.000 1.025 260 Q CB 0.905 29.651 28.738 0.013 0.000 0.985 260 Q HN 0.645 nan 8.270 nan 0.000 0.456 261 V N 0.200 120.128 119.914 0.023 0.000 2.115 261 V HA -0.023 4.097 4.120 0.000 0.000 0.344 261 V C -1.882 174.212 176.094 -0.001 0.000 1.564 261 V CA -0.628 61.691 62.300 0.031 0.000 0.889 261 V CB 0.635 32.501 31.823 0.072 0.000 1.226 261 V HN 0.751 nan 8.190 nan 0.000 0.228 262 E N 1.990 122.172 120.200 -0.030 0.000 2.313 262 E HA 0.534 4.884 4.350 0.000 0.000 0.280 262 E C -0.972 175.509 176.600 -0.199 0.000 0.898 262 E CA -0.763 55.583 56.400 -0.090 0.000 0.803 262 E CB 1.992 31.656 29.700 -0.060 0.000 1.286 262 E HN 0.647 nan 8.360 nan 0.000 0.401 263 M N 2.152 121.546 119.600 -0.344 0.000 2.248 263 M HA 0.110 4.590 4.480 0.000 0.000 0.337 263 M C -0.100 175.872 176.300 -0.547 0.000 1.121 263 M CA 0.851 55.767 55.300 -0.639 0.000 1.155 263 M CB 0.425 32.501 32.600 -0.874 0.000 1.514 263 M HN 0.329 nan 8.290 nan 0.000 0.452 264 Q N 3.049 122.482 119.800 -0.611 0.000 2.616 264 Q HA 0.372 4.712 4.340 0.000 0.000 0.250 264 Q C -1.494 173.931 176.000 -0.959 0.000 0.991 264 Q CA -0.319 55.125 55.803 -0.599 0.000 0.707 264 Q CB 1.062 29.648 28.738 -0.254 0.000 1.247 264 Q HN 0.483 nan 8.270 nan 0.000 0.491 265 F N 1.629 121.187 119.950 -0.653 0.000 2.506 265 F HA 0.355 4.882 4.527 0.000 0.000 0.351 265 F C 0.179 175.458 175.800 -0.870 0.000 1.136 265 F CA 0.287 57.980 58.000 -0.512 0.000 1.298 265 F CB 0.411 39.246 39.000 -0.274 0.000 1.145 265 F HN 0.309 nan 8.300 nan 0.000 0.593 266 F N -0.082 119.949 119.950 0.135 0.000 2.613 266 F HA 0.509 5.036 4.527 0.000 0.000 0.310 266 F C 0.006 175.835 175.800 0.048 0.000 1.085 266 F CA -0.913 57.122 58.000 0.058 0.000 0.945 266 F CB 1.911 40.919 39.000 0.014 0.000 1.298 266 F HN 0.469 nan 8.300 nan 0.000 0.455 267 S N -0.541 115.283 115.700 0.206 0.000 2.776 267 S HA 0.608 5.078 4.470 0.000 0.000 0.306 267 S C -0.006 174.645 174.600 0.085 0.000 1.114 267 S CA -0.341 57.923 58.200 0.108 0.000 0.973 267 S CB 1.602 64.838 63.200 0.059 0.000 1.250 267 S HN 0.556 nan 8.310 nan 0.000 0.549 268 T N 0.771 115.352 114.554 0.045 0.000 3.084 268 T HA 0.328 4.678 4.350 0.000 0.000 0.270 268 T C -0.369 174.344 174.700 0.021 0.000 1.008 268 T CA 0.364 62.481 62.100 0.028 0.000 0.900 268 T CB -0.278 68.597 68.868 0.012 0.000 1.084 268 T HN 0.883 nan 8.240 nan 0.000 0.538 269 T N 2.587 117.155 114.554 0.024 0.000 4.385 269 T HA -0.142 4.208 4.350 0.000 0.000 0.330 269 T C -0.164 174.542 174.700 0.009 0.000 0.771 269 T CA 0.417 62.527 62.100 0.016 0.000 1.973 269 T CB -1.590 67.288 68.868 0.016 0.000 1.908 269 T HN 0.549 nan 8.240 nan 0.000 0.933 270 E N 1.498 121.702 120.200 0.007 0.000 2.129 270 E HA 0.514 4.864 4.350 0.000 0.000 0.283 270 E C 0.590 177.190 176.600 0.000 0.000 1.080 270 E CA 0.267 56.668 56.400 0.002 0.000 0.867 270 E CB 0.853 30.552 29.700 -0.000 0.000 1.056 270 E HN 0.837 nan 8.360 nan 0.000 0.404 271 A N 2.759 125.579 122.820 -0.000 0.000 2.434 271 A HA -0.159 4.161 4.320 0.000 0.000 0.686 271 A C 0.967 178.549 177.584 -0.002 0.000 0.138 271 A CA 0.583 52.619 52.037 -0.002 0.000 0.027 271 A CB -1.589 17.409 19.000 -0.003 0.000 3.972 271 A HN 0.859 nan 8.150 nan 0.000 0.548 272 T N 1.138 115.691 114.554 -0.002 0.000 2.814 272 T HA 0.634 4.984 4.350 0.000 0.000 0.254 272 T C 1.483 176.179 174.700 -0.006 0.000 1.037 272 T CA 2.097 64.195 62.100 -0.003 0.000 1.143 272 T CB -0.219 68.647 68.868 -0.002 0.000 0.866 272 T HN 2.611 nan 8.240 nan 0.000 0.431 273 A N 1.369 124.185 122.820 -0.006 0.000 2.454 273 A HA 0.545 4.865 4.320 0.000 0.000 0.260 273 A C 0.866 178.444 177.584 -0.010 0.000 1.106 273 A CA 0.028 52.060 52.037 -0.008 0.000 0.780 273 A CB -0.184 18.812 19.000 -0.007 0.000 1.044 273 A HN 0.676 nan 8.150 nan 0.000 0.498 274 G N 2.661 111.454 108.800 -0.013 0.000 2.696 274 G HA2 0.389 4.349 3.960 0.000 0.000 0.329 274 G HA3 0.389 4.349 3.960 0.000 0.000 0.329 274 G C 0.253 175.143 174.900 -0.016 0.000 0.973 274 G CA -0.541 44.550 45.100 -0.016 0.000 1.257 274 G HN 0.781 nan 8.290 nan 0.000 0.456 275 N N 2.386 121.078 118.700 -0.014 0.000 2.518 275 N HA 0.057 4.797 4.740 0.000 0.000 0.230 275 N C 1.691 177.193 175.510 -0.014 0.000 1.022 275 N CA 0.692 53.734 53.050 -0.013 0.000 1.172 275 N CB 0.294 38.775 38.487 -0.010 0.000 1.498 275 N HN 0.396 nan 8.380 nan 0.000 0.602 276 G N 1.167 109.960 108.800 -0.012 0.000 3.228 276 G HA2 0.054 4.014 3.960 0.000 0.000 0.245 276 G HA3 0.054 4.014 3.960 0.000 0.000 0.245 276 G C -0.292 174.602 174.900 -0.011 0.000 1.051 276 G CA -0.164 44.929 45.100 -0.011 0.000 0.809 276 G HN 0.388 nan 8.290 nan 0.000 0.531 277 D N 0.867 121.261 120.400 -0.011 0.000 2.368 277 D HA 0.020 4.660 4.640 0.000 0.000 0.240 277 D C -0.376 175.917 176.300 -0.012 0.000 1.169 277 D CA -0.466 53.528 54.000 -0.009 0.000 0.906 277 D CB 0.587 41.382 40.800 -0.009 0.000 1.187 277 D HN -0.015 nan 8.370 nan 0.000 0.435 278 N N 1.908 120.603 118.700 -0.009 0.000 2.558 278 N HA 0.068 4.808 4.740 0.000 0.000 0.233 278 N C 0.647 176.150 175.510 -0.012 0.000 1.038 278 N CA -0.429 52.615 53.050 -0.010 0.000 0.934 278 N CB 1.144 39.631 38.487 0.001 0.000 1.175 278 N HN 0.418 nan 8.380 nan 0.000 0.512 279 L N 1.004 122.213 121.223 -0.024 0.000 2.814 279 L HA -0.083 4.257 4.340 0.000 0.000 0.248 279 L C 0.636 177.492 176.870 -0.022 0.000 1.169 279 L CA 0.639 55.463 54.840 -0.026 0.000 0.872 279 L CB -1.442 40.591 42.059 -0.044 0.000 1.029 279 L HN 0.505 nan 8.230 nan 0.000 0.452 280 T N -0.125 114.422 114.554 -0.011 0.000 2.657 280 T HA -0.044 4.306 4.350 0.000 0.000 0.245 280 T C -1.879 172.834 174.700 0.021 0.000 1.021 280 T CA -1.064 61.043 62.100 0.013 0.000 1.155 280 T CB -0.377 68.514 68.868 0.037 0.000 1.022 280 T HN 0.191 nan 8.240 nan 0.000 0.477 281 P HA 0.252 nan 4.420 nan 0.000 0.272 281 P C 0.228 177.565 177.300 0.062 0.000 1.240 281 P CA -0.497 62.668 63.100 0.107 0.000 0.791 281 P CB 0.935 32.780 31.700 0.242 0.000 0.978 282 K N -0.620 119.823 120.400 0.071 0.000 2.450 282 K HA 0.298 4.618 4.320 0.000 0.000 0.206 282 K C -0.564 176.068 176.600 0.054 0.000 1.148 282 K CA 0.138 56.424 56.287 -0.002 0.000 1.014 282 K CB 0.832 33.327 32.500 -0.008 0.000 0.966 282 K HN 0.196 nan 8.250 nan 0.000 0.566 283 V N 1.486 121.485 119.914 0.142 0.000 2.823 283 V HA 0.175 4.295 4.120 0.000 0.000 0.296 283 V C -1.169 175.060 176.094 0.224 0.000 1.250 283 V CA -0.939 61.458 62.300 0.163 0.000 0.939 283 V CB 2.164 34.055 31.823 0.113 0.000 1.062 283 V HN -0.262 nan 8.190 nan 0.000 0.433 284 V N 6.220 126.235 119.914 0.168 0.000 2.347 284 V HA 0.510 4.630 4.120 0.000 0.000 0.280 284 V C -0.179 175.969 176.094 0.090 0.000 1.021 284 V CA -0.425 61.892 62.300 0.029 0.000 0.847 284 V CB 1.487 33.281 31.823 -0.048 0.000 0.990 284 V HN 0.628 nan 8.190 nan 0.000 0.444 285 L N 5.225 126.492 121.223 0.073 0.000 2.282 285 L HA 0.489 4.829 4.340 0.000 0.000 0.288 285 L C -0.950 175.912 176.870 -0.014 0.000 1.033 285 L CA -0.646 54.278 54.840 0.140 0.000 0.807 285 L CB 1.293 43.491 42.059 0.232 0.000 1.209 285 L HN 0.554 nan 8.230 nan 0.000 0.423 286 Y N 1.643 121.925 120.300 -0.030 0.000 2.802 286 Y HA 0.130 4.680 4.550 0.000 0.000 0.330 286 Y C 1.018 176.906 175.900 -0.021 0.000 1.193 286 Y CA -0.697 57.371 58.100 -0.052 0.000 1.427 286 Y CB 0.416 38.836 38.460 -0.066 0.000 1.357 286 Y HN 0.547 nan 8.280 nan 0.000 0.501 287 S N 2.098 117.834 115.700 0.060 0.000 2.572 287 S HA 0.451 4.921 4.470 0.000 0.000 0.279 287 S C -0.147 174.486 174.600 0.055 0.000 1.341 287 S CA -0.568 57.668 58.200 0.060 0.000 1.043 287 S CB 1.104 64.330 63.200 0.043 0.000 0.887 287 S HN 0.716 nan 8.310 nan 0.000 0.516 288 E N 0.327 120.558 120.200 0.053 0.000 2.429 288 E HA 0.379 4.729 4.350 0.000 0.000 0.280 288 E C -2.120 174.500 176.600 0.033 0.000 1.068 288 E CA -1.026 55.398 56.400 0.041 0.000 0.837 288 E CB 0.781 30.508 29.700 0.045 0.000 1.357 288 E HN 0.490 nan 8.360 nan 0.000 0.455 289 D N 1.118 121.531 120.400 0.022 0.000 2.217 289 D HA 0.450 5.090 4.640 0.000 0.000 0.243 289 D C -0.485 175.815 176.300 0.001 0.000 1.054 289 D CA -0.307 53.702 54.000 0.016 0.000 0.838 289 D CB 2.152 42.961 40.800 0.015 0.000 1.162 289 D HN 0.434 nan 8.370 nan 0.000 0.472 290 V N -0.738 119.170 119.914 -0.010 0.000 2.914 290 V HA 0.409 4.529 4.120 0.000 0.000 0.314 290 V C 0.099 176.164 176.094 -0.048 0.000 1.084 290 V CA -0.959 61.317 62.300 -0.039 0.000 0.963 290 V CB 2.402 34.191 31.823 -0.058 0.000 1.025 290 V HN 0.326 nan 8.190 nan 0.000 0.432 291 D N 2.852 123.209 120.400 -0.072 0.000 2.671 291 D HA 0.165 4.805 4.640 0.000 0.000 0.228 291 D C 0.119 176.363 176.300 -0.094 0.000 1.102 291 D CA 0.128 54.089 54.000 -0.065 0.000 1.044 291 D CB 0.110 40.873 40.800 -0.063 0.000 1.113 291 D HN 0.700 nan 8.370 nan 0.000 0.480 292 I N 2.411 122.941 120.570 -0.068 0.000 2.618 292 I HA 0.002 4.172 4.170 0.000 0.000 0.284 292 I C 0.221 176.322 176.117 -0.027 0.000 1.146 292 I CA 0.224 61.484 61.300 -0.068 0.000 1.425 292 I CB 0.282 38.262 38.000 -0.033 0.000 1.383 292 I HN 0.269 nan 8.210 nan 0.000 0.562 293 E N 3.865 124.057 120.200 -0.013 0.000 2.408 293 E HA 0.462 4.812 4.350 0.000 0.000 0.275 293 E C -1.304 175.329 176.600 0.056 0.000 0.935 293 E CA -0.922 55.504 56.400 0.042 0.000 0.775 293 E CB 1.735 31.485 29.700 0.083 0.000 1.277 293 E HN 0.456 nan 8.360 nan 0.000 0.455 294 T N -1.001 113.592 114.554 0.064 0.000 3.327 294 T HA 0.315 4.665 4.350 0.000 0.000 0.373 294 T C -1.790 172.964 174.700 0.090 0.000 1.589 294 T CA -1.422 60.725 62.100 0.079 0.000 1.497 294 T CB 0.817 69.733 68.868 0.079 0.000 1.032 294 T HN 0.331 nan 8.240 nan 0.000 0.640 295 P HA -0.017 nan 4.420 nan 0.000 0.223 295 P C 0.317 177.664 177.300 0.079 0.000 1.151 295 P CA 1.136 64.286 63.100 0.083 0.000 0.787 295 P CB 0.167 31.909 31.700 0.070 0.000 0.788 296 D N -1.334 119.136 120.400 0.117 0.000 2.563 296 D HA 0.070 4.710 4.640 0.000 0.000 0.237 296 D C 0.206 176.562 176.300 0.092 0.000 1.282 296 D CA -0.244 53.794 54.000 0.064 0.000 0.816 296 D CB -0.319 40.515 40.800 0.057 0.000 1.066 296 D HN 0.142 nan 8.370 nan 0.000 0.501 297 T N -2.670 111.964 114.554 0.132 0.000 2.865 297 T HA 0.625 4.975 4.350 0.000 0.000 0.294 297 T C -0.588 174.246 174.700 0.223 0.000 1.119 297 T CA -0.863 61.344 62.100 0.177 0.000 1.007 297 T CB 2.494 71.444 68.868 0.137 0.000 1.225 297 T HN 0.307 nan 8.240 nan 0.000 0.515 298 H N -0.477 118.624 119.070 0.051 0.000 2.977 298 H HA 0.544 5.100 4.556 0.000 0.000 0.350 298 H C -1.158 174.187 175.328 0.028 0.000 1.238 298 H CA -1.437 54.624 56.048 0.022 0.000 1.124 298 H CB 0.755 30.505 29.762 -0.019 0.000 1.866 298 H HN 0.522 nan 8.280 nan 0.000 0.550 299 I N 2.623 123.198 120.570 0.010 0.000 2.452 299 I HA -0.045 4.125 4.170 0.000 0.000 0.287 299 I C 1.511 177.573 176.117 -0.093 0.000 1.079 299 I CA 0.218 61.487 61.300 -0.052 0.000 1.387 299 I CB 0.987 38.976 38.000 -0.019 0.000 1.404 299 I HN 0.761 nan 8.210 nan 0.000 0.522 300 S N 5.865 121.493 115.700 -0.120 0.000 2.524 300 S HA 0.017 4.487 4.470 0.000 0.000 0.216 300 S C 0.111 174.755 174.600 0.073 0.000 0.987 300 S CA 0.079 58.231 58.200 -0.079 0.000 0.909 300 S CB -0.036 63.088 63.200 -0.128 0.000 0.781 300 S HN 0.597 nan 8.310 nan 0.000 0.521 301 Y N 1.282 121.537 120.300 -0.075 0.000 2.294 301 Y HA 0.557 5.107 4.550 0.000 0.000 0.329 301 Y C -1.311 174.560 175.900 -0.047 0.000 1.135 301 Y CA -1.350 56.718 58.100 -0.054 0.000 1.213 301 Y CB 1.018 39.443 38.460 -0.059 0.000 1.141 301 Y HN 0.048 nan 8.280 nan 0.000 0.446 302 M N 9.040 128.320 119.600 -0.532 0.000 2.063 302 M HA 0.333 4.813 4.480 0.000 0.000 0.348 302 M C -1.980 173.884 176.300 -0.727 0.000 1.180 302 M CA -2.625 52.380 55.300 -0.492 0.000 1.059 302 M CB 1.125 33.580 32.600 -0.242 0.000 1.544 302 M HN 0.455 nan 8.290 nan 0.000 0.447 303 P HA -0.017 nan 4.420 nan 0.000 0.214 303 P C -0.142 177.007 177.300 -0.252 0.000 1.162 303 P CA 1.153 63.957 63.100 -0.494 0.000 0.874 303 P CB 0.359 31.890 31.700 -0.280 0.000 0.784 304 T N -1.174 113.260 114.554 -0.199 0.000 2.907 304 T HA 0.351 4.701 4.350 0.000 0.000 0.292 304 T C 0.852 175.486 174.700 -0.110 0.000 1.043 304 T CA -0.528 61.495 62.100 -0.128 0.000 1.003 304 T CB 1.718 70.525 68.868 -0.102 0.000 1.084 304 T HN -0.143 nan 8.240 nan 0.000 0.483 305 I N 0.645 121.168 120.570 -0.079 0.000 2.716 305 I HA 0.090 4.260 4.170 0.000 0.000 0.259 305 I C 0.747 176.834 176.117 -0.048 0.000 1.172 305 I CA 0.541 61.804 61.300 -0.061 0.000 1.478 305 I CB 0.149 38.123 38.000 -0.044 0.000 1.104 305 I HN 0.507 nan 8.210 nan 0.000 0.439 306 K N 2.642 123.015 120.400 -0.046 0.000 2.511 306 K HA -0.046 4.274 4.320 0.000 0.000 0.280 306 K C -0.015 176.565 176.600 -0.034 0.000 1.008 306 K CA 0.343 56.610 56.287 -0.034 0.000 1.050 306 K CB 0.255 32.736 32.500 -0.032 0.000 0.889 306 K HN 0.264 nan 8.250 nan 0.000 0.484 307 E N 0.677 120.865 120.200 -0.020 0.000 2.371 307 E HA 0.308 4.658 4.350 0.000 0.000 0.257 307 E C 0.256 176.853 176.600 -0.006 0.000 1.134 307 E CA -0.127 56.265 56.400 -0.014 0.000 0.919 307 E CB 0.821 30.518 29.700 -0.005 0.000 1.025 307 E HN 0.711 nan 8.360 nan 0.000 0.438 308 G N 1.483 110.284 108.800 0.001 0.000 2.719 308 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 308 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 308 G C -0.816 174.091 174.900 0.012 0.000 1.201 308 G CA -1.008 44.103 45.100 0.017 0.000 0.768 308 G HN 0.450 nan 8.290 nan 0.000 0.629 309 N N 0.521 119.246 118.700 0.043 0.000 2.497 309 N HA 0.574 5.314 4.740 0.000 0.000 0.268 309 N C 0.578 176.111 175.510 0.039 0.000 1.171 309 N CA 0.713 53.786 53.050 0.039 0.000 0.948 309 N CB 1.447 40.004 38.487 0.117 0.000 1.069 309 N HN 1.276 nan 8.380 nan 0.000 0.460 310 S N 0.474 116.084 115.700 -0.150 0.000 2.638 310 S HA 0.410 4.880 4.470 0.000 0.000 0.274 310 S C 0.819 174.917 174.600 -0.837 0.000 1.157 310 S CA -0.971 57.043 58.200 -0.309 0.000 0.826 310 S CB 2.390 65.497 63.200 -0.156 0.000 1.139 310 S HN 0.590 nan 8.310 nan 0.000 0.474 311 R N 0.463 120.329 120.500 -1.057 0.000 2.105 311 R HA -0.103 4.237 4.340 0.000 0.000 0.239 311 R C 1.421 177.360 176.300 -0.602 0.000 1.135 311 R CA 1.778 57.218 56.100 -1.099 0.000 0.967 311 R CB -0.361 29.621 30.300 -0.531 0.000 0.861 311 R HN 0.731 nan 8.270 nan 0.000 0.442 312 E N 0.928 120.899 120.200 -0.382 0.000 2.070 312 E HA -0.232 4.118 4.350 0.000 0.000 0.197 312 E C 2.009 178.462 176.600 -0.244 0.000 1.004 312 E CA 1.153 57.404 56.400 -0.248 0.000 0.805 312 E CB -0.334 29.262 29.700 -0.174 0.000 0.744 312 E HN 0.445 nan 8.360 nan 0.000 0.451 313 L N 0.289 121.350 121.223 -0.269 0.000 2.450 313 L HA -0.082 4.258 4.340 0.000 0.000 0.224 313 L C 2.390 179.133 176.870 -0.211 0.000 1.149 313 L CA 0.419 55.130 54.840 -0.214 0.000 0.816 313 L CB -0.294 41.657 42.059 -0.180 0.000 0.932 313 L HN 0.144 nan 8.230 nan 0.000 0.449 314 M N -1.022 118.396 119.600 -0.302 0.000 2.557 314 M HA -0.049 4.431 4.480 0.000 0.000 0.259 314 M C 1.706 177.901 176.300 -0.175 0.000 1.086 314 M CA 1.062 56.194 55.300 -0.280 0.000 1.096 314 M CB -0.278 32.049 32.600 -0.455 0.000 1.424 314 M HN 0.284 nan 8.290 nan 0.000 0.488 315 G N 0.344 109.070 108.800 -0.124 0.000 3.189 315 G HA2 0.047 4.007 3.960 0.000 0.000 0.225 315 G HA3 0.047 4.007 3.960 0.000 0.000 0.225 315 G C 0.330 175.291 174.900 0.101 0.000 1.159 315 G CA -0.397 44.694 45.100 -0.014 0.000 0.763 315 G HN 0.554 nan 8.290 nan 0.000 0.549 316 Q N 0.042 119.853 119.800 0.019 0.000 2.340 316 Q HA 0.480 4.820 4.340 0.000 0.000 0.249 316 Q C -0.783 175.260 176.000 0.071 0.000 0.957 316 Q CA -0.175 55.651 55.803 0.039 0.000 0.882 316 Q CB 0.938 29.639 28.738 -0.062 0.000 1.235 316 Q HN 0.223 nan 8.270 nan 0.000 0.439 317 Q N 1.010 120.872 119.800 0.103 0.000 2.345 317 Q HA 0.501 4.841 4.340 0.000 0.000 0.268 317 Q C -1.235 174.762 176.000 -0.004 0.000 1.054 317 Q CA -0.738 55.087 55.803 0.038 0.000 0.835 317 Q CB 2.490 31.242 28.738 0.023 0.000 1.339 317 Q HN 0.716 nan 8.270 nan 0.000 0.447 318 S N 1.660 117.350 115.700 -0.016 0.000 2.537 318 S HA 0.779 5.249 4.470 0.000 0.000 0.301 318 S C -1.091 173.467 174.600 -0.070 0.000 1.092 318 S CA -0.627 57.578 58.200 0.009 0.000 1.048 318 S CB 0.853 64.172 63.200 0.199 0.000 1.053 318 S HN 0.635 nan 8.310 nan 0.000 0.501 319 M N 5.020 124.544 119.600 -0.128 0.000 2.433 319 M HA 0.536 5.016 4.480 0.000 0.000 0.290 319 M C -2.774 173.527 176.300 0.001 0.000 1.173 319 M CA -2.137 53.076 55.300 -0.144 0.000 0.905 319 M CB 2.519 34.916 32.600 -0.338 0.000 1.692 319 M HN 0.409 nan 8.290 nan 0.000 0.462 320 P HA 0.083 nan 4.420 nan 0.000 0.271 320 P C -1.217 176.194 177.300 0.184 0.000 1.216 320 P CA -0.065 63.154 63.100 0.199 0.000 0.776 320 P CB 0.330 32.153 31.700 0.204 0.000 0.881 321 N N 2.655 121.454 118.700 0.165 0.000 2.453 321 N HA 0.077 4.817 4.740 0.000 0.000 0.253 321 N C 0.625 176.108 175.510 -0.045 0.000 1.252 321 N CA 0.035 53.141 53.050 0.092 0.000 0.917 321 N CB 0.176 38.707 38.487 0.073 0.000 1.117 321 N HN 0.295 nan 8.380 nan 0.000 0.442 322 R N 1.823 122.244 120.500 -0.133 0.000 2.570 322 R HA 0.112 4.452 4.340 0.000 0.000 0.277 322 R C -1.875 174.317 176.300 -0.181 0.000 1.039 322 R CA -0.902 55.073 56.100 -0.208 0.000 1.065 322 R CB -0.074 30.031 30.300 -0.325 0.000 0.964 322 R HN 0.429 nan 8.270 nan 0.000 0.428 323 P HA 0.004 nan 4.420 nan 0.000 0.271 323 P C -0.962 176.174 177.300 -0.274 0.000 1.218 323 P CA -0.108 62.766 63.100 -0.376 0.000 0.780 323 P CB 0.652 32.126 31.700 -0.377 0.000 0.901 324 N N 1.747 120.192 118.700 -0.425 0.000 2.629 324 N HA 0.212 4.952 4.740 0.000 0.000 0.277 324 N C -1.767 173.577 175.510 -0.275 0.000 1.188 324 N CA -0.410 52.505 53.050 -0.225 0.000 0.835 324 N CB 0.165 38.579 38.487 -0.122 0.000 1.420 324 N HN 0.143 nan 8.380 nan 0.000 0.542 325 Y N 2.754 123.086 120.300 0.053 0.000 2.319 325 Y HA 0.481 5.031 4.550 0.000 0.000 0.328 325 Y C 0.578 176.585 175.900 0.178 0.000 1.133 325 Y CA -0.106 58.089 58.100 0.160 0.000 1.265 325 Y CB 0.914 39.457 38.460 0.139 0.000 1.218 325 Y HN 0.308 nan 8.280 nan 0.000 0.508 326 I N 2.926 123.737 120.570 0.400 0.000 2.533 326 I HA 0.774 4.944 4.170 0.000 0.000 0.290 326 I C -0.455 175.620 176.117 -0.071 0.000 1.056 326 I CA -0.692 60.656 61.300 0.080 0.000 1.057 326 I CB 1.747 39.721 38.000 -0.044 0.000 1.240 326 I HN 0.721 nan 8.210 nan 0.000 0.423 327 A N 4.712 127.464 122.820 -0.115 0.000 2.536 327 A HA 0.742 5.062 4.320 0.000 0.000 0.293 327 A C -1.536 175.942 177.584 -0.178 0.000 1.119 327 A CA -0.552 51.379 52.037 -0.176 0.000 0.654 327 A CB 0.777 19.758 19.000 -0.032 0.000 1.291 327 A HN 0.395 nan 8.150 nan 0.000 0.439 328 F N 1.289 121.218 119.950 -0.034 0.000 2.444 328 F HA 0.474 5.001 4.527 0.000 0.000 0.331 328 F C 1.546 177.327 175.800 -0.032 0.000 1.167 328 F CA 0.481 58.491 58.000 0.017 0.000 1.262 328 F CB 0.666 39.759 39.000 0.155 0.000 1.196 328 F HN 0.532 nan 8.300 nan 0.000 0.583 329 R N 0.325 120.957 120.500 0.219 0.000 2.649 329 R HA 0.105 4.445 4.340 0.000 0.000 0.270 329 R C -0.700 175.578 176.300 -0.036 0.000 1.105 329 R CA -0.832 55.318 56.100 0.083 0.000 1.193 329 R CB 0.179 30.546 30.300 0.112 0.000 1.120 329 R HN 0.508 nan 8.270 nan 0.000 0.561 330 D N 0.791 121.171 120.400 -0.034 0.000 2.487 330 D HA -0.082 4.558 4.640 0.000 0.000 0.243 330 D C -0.315 175.950 176.300 -0.057 0.000 1.154 330 D CA 0.913 54.873 54.000 -0.066 0.000 0.876 330 D CB -0.024 40.765 40.800 -0.019 0.000 1.161 330 D HN 0.599 nan 8.370 nan 0.000 0.478 331 N N 2.761 121.386 118.700 -0.125 0.000 2.714 331 N HA -0.285 4.455 4.740 0.000 0.000 0.250 331 N C -0.229 175.301 175.510 0.035 0.000 1.117 331 N CA 0.479 53.509 53.050 -0.032 0.000 0.719 331 N CB -1.532 37.032 38.487 0.128 0.000 1.081 331 N HN 0.542 nan 8.380 nan 0.000 0.557 332 F N -1.930 118.063 119.950 0.072 0.000 3.091 332 F HA -0.271 4.256 4.527 0.000 0.000 0.288 332 F C 0.526 176.373 175.800 0.079 0.000 0.907 332 F CA 0.078 58.110 58.000 0.054 0.000 1.028 332 F CB -1.456 37.546 39.000 0.003 0.000 1.022 332 F HN 0.197 nan 8.300 nan 0.000 0.665 333 I N 0.826 121.514 120.570 0.196 0.000 2.775 333 I HA 0.107 4.277 4.170 0.000 0.000 0.290 333 I C 1.558 177.787 176.117 0.187 0.000 1.203 333 I CA 1.582 62.985 61.300 0.171 0.000 1.433 333 I CB 0.337 38.407 38.000 0.118 0.000 1.354 333 I HN 0.553 nan 8.210 nan 0.000 0.579 334 G N 4.486 113.386 108.800 0.167 0.000 2.268 334 G HA2 -0.287 3.673 3.960 0.000 0.000 0.240 334 G HA3 -0.287 3.673 3.960 0.000 0.000 0.240 334 G C 0.871 175.819 174.900 0.079 0.000 1.010 334 G CA 0.312 45.478 45.100 0.109 0.000 0.618 334 G HN 0.567 nan 8.290 nan 0.000 0.516 335 L N 0.029 121.345 121.223 0.155 0.000 2.046 335 L HA 0.252 4.592 4.340 0.000 0.000 0.208 335 L C 1.776 178.685 176.870 0.066 0.000 1.077 335 L CA 1.259 56.203 54.840 0.173 0.000 0.747 335 L CB -0.162 42.007 42.059 0.183 0.000 0.896 335 L HN 0.414 nan 8.230 nan 0.000 0.432 336 M N -1.964 117.594 119.600 -0.069 0.000 2.423 336 M HA 0.224 4.704 4.480 0.000 0.000 0.335 336 M C -1.144 174.949 176.300 -0.344 0.000 1.177 336 M CA -0.506 54.591 55.300 -0.338 0.000 1.038 336 M CB 1.636 33.909 32.600 -0.546 0.000 1.641 336 M HN -0.197 nan 8.290 nan 0.000 0.455 337 Y N 1.640 121.770 120.300 -0.283 0.000 2.335 337 Y HA 0.292 4.842 4.550 0.000 0.000 0.331 337 Y C -0.922 174.832 175.900 -0.245 0.000 1.094 337 Y CA 0.545 58.533 58.100 -0.186 0.000 1.253 337 Y CB 0.456 38.803 38.460 -0.188 0.000 1.203 337 Y HN 0.392 nan 8.280 nan 0.000 0.508 338 Y N 0.841 121.310 120.300 0.281 0.000 2.562 338 Y HA 0.230 4.780 4.550 0.000 0.000 0.345 338 Y C -0.052 175.964 175.900 0.194 0.000 1.045 338 Y CA -2.179 56.073 58.100 0.252 0.000 1.028 338 Y CB 1.468 40.100 38.460 0.287 0.000 1.297 338 Y HN 0.643 nan 8.280 nan 0.000 0.463 339 N N 0.150 119.059 118.700 0.348 0.000 2.721 339 N HA -0.186 4.554 4.740 0.000 0.000 0.249 339 N C -1.002 174.604 175.510 0.160 0.000 1.072 339 N CA 1.136 54.333 53.050 0.245 0.000 0.710 339 N CB -1.297 37.358 38.487 0.279 0.000 0.993 339 N HN 0.401 nan 8.380 nan 0.000 0.547 340 S N -0.585 115.177 115.700 0.104 0.000 2.652 340 S HA 0.237 4.707 4.470 0.000 0.000 0.252 340 S C 1.396 175.970 174.600 -0.043 0.000 1.219 340 S CA -0.285 57.948 58.200 0.055 0.000 1.151 340 S CB 1.389 64.668 63.200 0.132 0.000 1.080 340 S HN 0.371 nan 8.310 nan 0.000 0.481 341 T N 0.123 114.651 114.554 -0.042 0.000 2.869 341 T HA -0.137 4.213 4.350 0.000 0.000 0.270 341 T C 1.907 176.538 174.700 -0.115 0.000 1.082 341 T CA 1.561 63.613 62.100 -0.081 0.000 1.123 341 T CB -0.373 68.463 68.868 -0.052 0.000 0.856 341 T HN 0.623 nan 8.240 nan 0.000 0.499 342 G N 1.219 109.952 108.800 -0.111 0.000 2.511 342 G HA2 -0.005 3.955 3.960 0.000 0.000 0.217 342 G HA3 -0.005 3.955 3.960 0.000 0.000 0.217 342 G C 0.990 175.754 174.900 -0.226 0.000 1.133 342 G CA 0.006 45.026 45.100 -0.134 0.000 0.792 342 G HN 0.581 nan 8.290 nan 0.000 0.539 343 N N 0.131 118.641 118.700 -0.316 0.000 2.642 343 N HA 0.186 4.926 4.740 0.000 0.000 0.308 343 N C -0.589 174.637 175.510 -0.472 0.000 1.914 343 N CA -0.203 52.555 53.050 -0.486 0.000 0.893 343 N CB 0.925 38.835 38.487 -0.961 0.000 1.322 343 N HN 0.213 nan 8.380 nan 0.000 0.490 344 M N 0.971 120.333 119.600 -0.397 0.000 2.228 344 M HA 0.216 4.696 4.480 0.000 0.000 0.351 344 M C 0.925 176.800 176.300 -0.709 0.000 1.233 344 M CA -0.034 54.981 55.300 -0.474 0.000 1.129 344 M CB 0.667 33.068 32.600 -0.332 0.000 1.604 344 M HN 0.217 nan 8.290 nan 0.000 0.457 345 G N 3.028 111.127 108.800 -1.169 0.000 2.636 345 G HA2 0.464 4.424 3.960 0.000 0.000 0.246 345 G HA3 0.464 4.424 3.960 0.000 0.000 0.246 345 G C -1.208 173.252 174.900 -0.733 0.000 1.216 345 G CA -0.640 43.401 45.100 -1.765 0.000 0.854 345 G HN 0.642 nan 8.290 nan 0.000 0.572 346 V N 0.929 120.661 119.914 -0.304 0.000 2.623 346 V HA 0.500 4.620 4.120 0.000 0.000 0.304 346 V C -0.893 175.389 176.094 0.312 0.000 1.054 346 V CA -0.616 61.692 62.300 0.014 0.000 0.882 346 V CB 1.635 33.453 31.823 -0.009 0.000 1.002 346 V HN 0.676 nan 8.190 nan 0.000 0.424 347 L N 4.818 126.196 121.223 0.259 0.000 2.504 347 L HA 0.950 5.290 4.340 0.000 0.000 0.265 347 L C -0.397 176.584 176.870 0.185 0.000 0.975 347 L CA -0.054 54.943 54.840 0.261 0.000 0.864 347 L CB 1.279 43.448 42.059 0.183 0.000 1.212 347 L HN 0.859 nan 8.230 nan 0.000 0.416 348 A N 2.964 125.910 122.820 0.210 0.000 2.549 348 A HA 0.843 5.163 4.320 0.000 0.000 0.297 348 A C -0.200 177.531 177.584 0.244 0.000 1.061 348 A CA -0.200 51.955 52.037 0.198 0.000 0.690 348 A CB 1.279 20.357 19.000 0.129 0.000 1.287 348 A HN 0.903 nan 8.150 nan 0.000 0.402 349 G N -0.170 108.763 108.800 0.222 0.000 2.442 349 G HA2 0.397 4.357 3.960 0.000 0.000 0.249 349 G HA3 0.397 4.357 3.960 0.000 0.000 0.249 349 G C 0.400 175.301 174.900 0.001 0.000 1.263 349 G CA -0.080 45.057 45.100 0.062 0.000 0.846 349 G HN 0.842 nan 8.290 nan 0.000 0.555 350 Q N 1.372 121.128 119.800 -0.074 0.000 2.050 350 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 350 Q C 2.961 178.945 176.000 -0.027 0.000 0.980 350 Q CA 1.739 57.521 55.803 -0.035 0.000 0.840 350 Q CB -0.110 28.597 28.738 -0.052 0.000 0.898 350 Q HN 0.712 nan 8.270 nan 0.000 0.424 351 A N 0.059 122.851 122.820 -0.047 0.000 1.902 351 A HA -0.197 4.123 4.320 0.000 0.000 0.217 351 A C 2.141 179.724 177.584 -0.003 0.000 1.181 351 A CA 1.767 53.788 52.037 -0.028 0.000 0.623 351 A CB -0.742 18.235 19.000 -0.038 0.000 0.818 351 A HN 0.336 nan 8.150 nan 0.000 0.443 352 S N -1.790 113.918 115.700 0.013 0.000 2.368 352 S HA -0.232 4.238 4.470 0.000 0.000 0.224 352 S C 1.394 176.019 174.600 0.041 0.000 1.029 352 S CA 1.732 59.956 58.200 0.041 0.000 0.988 352 S CB -0.319 62.924 63.200 0.072 0.000 0.838 352 S HN 0.608 nan 8.310 nan 0.000 0.462 353 Q N -1.198 118.625 119.800 0.039 0.000 2.177 353 Q HA -0.199 4.141 4.340 0.000 0.000 0.174 353 Q C -0.223 175.804 176.000 0.045 0.000 0.609 353 Q CA 1.029 56.853 55.803 0.035 0.000 1.453 353 Q CB -1.342 27.409 28.738 0.021 0.000 1.591 353 Q HN 0.444 nan 8.270 nan 0.000 0.818 354 L N 2.217 123.476 121.223 0.060 0.000 2.367 354 L HA 0.241 4.581 4.340 0.000 0.000 0.275 354 L C 0.335 177.255 176.870 0.083 0.000 1.129 354 L CA 0.739 55.619 54.840 0.067 0.000 0.839 354 L CB 0.772 42.879 42.059 0.079 0.000 1.133 354 L HN 0.193 nan 8.230 nan 0.000 0.453 355 N N 3.110 121.851 118.700 0.069 0.000 2.420 355 N HA 0.142 4.882 4.740 0.000 0.000 0.262 355 N C 0.853 176.435 175.510 0.119 0.000 1.144 355 N CA 0.130 53.226 53.050 0.076 0.000 0.952 355 N CB 1.158 39.659 38.487 0.024 0.000 1.081 355 N HN 0.781 nan 8.380 nan 0.000 0.480 356 A N 3.725 126.636 122.820 0.152 0.000 2.119 356 A HA 0.041 4.361 4.320 0.000 0.000 0.217 356 A C 0.620 178.387 177.584 0.305 0.000 1.153 356 A CA 0.449 52.612 52.037 0.210 0.000 0.692 356 A CB 0.205 19.301 19.000 0.160 0.000 0.799 356 A HN 0.463 nan 8.150 nan 0.000 0.458 357 V N 1.008 121.042 119.914 0.200 0.000 2.406 357 V HA 0.361 4.481 4.120 0.000 0.000 0.272 357 V C -0.582 175.499 176.094 -0.022 0.000 1.043 357 V CA -0.185 62.205 62.300 0.151 0.000 0.915 357 V CB 1.249 33.062 31.823 -0.018 0.000 0.988 357 V HN 0.086 nan 8.190 nan 0.000 0.466 358 V N 4.459 124.286 119.914 -0.145 0.000 2.419 358 V HA 0.441 4.561 4.120 0.000 0.000 0.287 358 V C -0.555 175.367 176.094 -0.286 0.000 1.017 358 V CA -0.549 61.523 62.300 -0.380 0.000 0.844 358 V CB 1.646 33.018 31.823 -0.752 0.000 1.011 358 V HN 0.824 nan 8.190 nan 0.000 0.429 359 D N 3.313 123.620 120.400 -0.155 0.000 2.326 359 D HA 0.770 5.410 4.640 0.000 0.000 0.248 359 D C -0.860 175.463 176.300 0.038 0.000 1.001 359 D CA -0.268 53.743 54.000 0.019 0.000 0.961 359 D CB 2.244 43.003 40.800 -0.068 0.000 1.183 359 D HN 0.350 nan 8.370 nan 0.000 0.502 360 L N 1.019 122.323 121.223 0.134 0.000 2.388 360 L HA 0.331 4.671 4.340 0.000 0.000 0.264 360 L C 1.015 177.963 176.870 0.130 0.000 0.998 360 L CA -0.667 54.237 54.840 0.107 0.000 0.817 360 L CB 2.219 44.353 42.059 0.126 0.000 1.338 360 L HN 0.387 nan 8.230 nan 0.000 0.414 361 Q N -1.010 118.847 119.800 0.094 0.000 2.415 361 Q HA -0.045 4.295 4.340 0.000 0.000 0.206 361 Q C 0.174 176.243 176.000 0.116 0.000 0.946 361 Q CA 0.508 56.372 55.803 0.102 0.000 0.951 361 Q CB 0.213 28.986 28.738 0.059 0.000 1.026 361 Q HN 0.597 nan 8.270 nan 0.000 0.510 362 D N 0.835 121.309 120.400 0.124 0.000 2.354 362 D HA 0.038 4.678 4.640 0.000 0.000 0.209 362 D C -0.038 176.359 176.300 0.162 0.000 1.015 362 D CA 0.062 54.139 54.000 0.128 0.000 0.867 362 D CB 0.405 41.270 40.800 0.108 0.000 0.933 362 D HN 0.222 nan 8.370 nan 0.000 0.520 363 R N 0.313 120.925 120.500 0.186 0.000 2.573 363 R HA 0.301 4.641 4.340 0.000 0.000 0.272 363 R C -0.709 175.716 176.300 0.209 0.000 1.009 363 R CA -0.517 55.701 56.100 0.197 0.000 1.059 363 R CB 0.681 31.135 30.300 0.257 0.000 1.112 363 R HN -0.202 nan 8.270 nan 0.000 0.517 364 N N 1.255 120.048 118.700 0.155 0.000 2.746 364 N HA 0.126 4.866 4.740 0.000 0.000 0.250 364 N C -0.376 175.173 175.510 0.066 0.000 1.146 364 N CA -0.189 52.922 53.050 0.102 0.000 0.828 364 N CB 1.424 39.898 38.487 -0.023 0.000 1.158 364 N HN 0.572 nan 8.380 nan 0.000 0.519 365 T N 0.904 115.515 114.554 0.095 0.000 2.746 365 T HA -0.080 4.270 4.350 0.000 0.000 0.267 365 T C 1.354 176.005 174.700 -0.081 0.000 1.039 365 T CA 1.117 63.210 62.100 -0.011 0.000 1.142 365 T CB 0.208 68.986 68.868 -0.151 0.000 0.866 365 T HN 0.443 nan 8.240 nan 0.000 0.444 366 E N 0.869 121.038 120.200 -0.051 0.000 2.051 366 E HA -0.089 4.261 4.350 0.000 0.000 0.192 366 E C 2.257 178.865 176.600 0.013 0.000 0.991 366 E CA 0.829 57.224 56.400 -0.007 0.000 0.799 366 E CB -0.483 29.253 29.700 0.062 0.000 0.748 366 E HN 0.301 nan 8.360 nan 0.000 0.449 367 L N 1.083 122.284 121.223 -0.038 0.000 2.093 367 L HA -0.095 4.245 4.340 0.000 0.000 0.208 367 L C 2.483 179.339 176.870 -0.024 0.000 1.085 367 L CA 1.668 56.468 54.840 -0.066 0.000 0.755 367 L CB -0.687 41.314 42.059 -0.098 0.000 0.904 367 L HN -0.019 nan 8.230 nan 0.000 0.435 368 S N -1.681 114.030 115.700 0.017 0.000 2.383 368 S HA -0.304 4.166 4.470 0.000 0.000 0.229 368 S C 2.110 176.743 174.600 0.055 0.000 1.030 368 S CA 1.602 59.841 58.200 0.065 0.000 1.002 368 S CB -0.597 62.638 63.200 0.060 0.000 0.829 368 S HN 0.650 nan 8.310 nan 0.000 0.467 369 Y N 1.395 121.644 120.300 -0.085 0.000 2.314 369 Y HA -0.014 4.536 4.550 0.000 0.000 0.293 369 Y C 2.572 178.403 175.900 -0.115 0.000 1.129 369 Y CA 1.513 59.545 58.100 -0.113 0.000 1.201 369 Y CB -0.143 38.244 38.460 -0.122 0.000 0.999 369 Y HN 0.267 nan 8.280 nan 0.000 0.541 370 Q N 0.247 120.035 119.800 -0.019 0.000 2.046 370 Q HA -0.163 4.177 4.340 0.000 0.000 0.200 370 Q C 2.342 178.262 176.000 -0.134 0.000 0.975 370 Q CA 1.673 57.433 55.803 -0.072 0.000 0.836 370 Q CB -0.508 28.160 28.738 -0.117 0.000 0.896 370 Q HN 0.541 nan 8.270 nan 0.000 0.428 371 L N 0.265 121.378 121.223 -0.184 0.000 2.156 371 L HA -0.152 4.189 4.340 0.000 0.000 0.208 371 L C 2.413 179.030 176.870 -0.421 0.000 1.095 371 L CA 0.364 55.114 54.840 -0.150 0.000 0.770 371 L CB -0.490 41.587 42.059 0.030 0.000 0.914 371 L HN 0.184 nan 8.230 nan 0.000 0.439 372 L N 0.178 120.994 121.223 -0.677 0.000 2.017 372 L HA -0.204 4.136 4.340 0.000 0.000 0.208 372 L C 2.354 178.866 176.870 -0.597 0.000 1.073 372 L CA 1.732 55.962 54.840 -1.017 0.000 0.745 372 L CB -0.393 41.251 42.059 -0.691 0.000 0.894 372 L HN 0.090 nan 8.230 nan 0.000 0.432 373 L N -0.456 120.483 121.223 -0.474 0.000 2.083 373 L HA -0.228 4.112 4.340 0.000 0.000 0.209 373 L C 2.280 179.056 176.870 -0.157 0.000 1.083 373 L CA 1.624 56.277 54.840 -0.311 0.000 0.752 373 L CB -0.758 41.133 42.059 -0.281 0.000 0.899 373 L HN 0.397 nan 8.230 nan 0.000 0.433 374 D N -0.372 119.979 120.400 -0.081 0.000 2.178 374 D HA -0.176 4.464 4.640 0.000 0.000 0.201 374 D C 2.234 178.521 176.300 -0.023 0.000 0.980 374 D CA 1.353 55.358 54.000 0.007 0.000 0.842 374 D CB 0.169 41.093 40.800 0.208 0.000 0.948 374 D HN 0.299 nan 8.370 nan 0.000 0.472 375 S N -0.288 115.354 115.700 -0.095 0.000 2.446 375 S HA -0.072 4.398 4.470 0.000 0.000 0.225 375 S C 1.940 176.517 174.600 -0.037 0.000 1.016 375 S CA 0.542 58.717 58.200 -0.042 0.000 0.943 375 S CB -0.623 62.545 63.200 -0.053 0.000 0.786 375 S HN 0.545 nan 8.310 nan 0.000 0.508 376 I N -2.026 118.491 120.570 -0.088 0.000 3.941 376 I HA 0.653 4.823 4.170 0.000 0.000 0.335 376 I C 0.614 176.708 176.117 -0.038 0.000 1.402 376 I CA -0.453 60.814 61.300 -0.055 0.000 1.112 376 I CB 0.174 38.128 38.000 -0.077 0.000 1.043 376 I HN 0.325 nan 8.210 nan 0.000 0.395 377 G N 0.524 109.304 108.800 -0.034 0.000 2.488 377 G HA2 0.124 4.084 3.960 0.000 0.000 0.301 377 G HA3 0.124 4.084 3.960 0.000 0.000 0.301 377 G C -2.062 172.826 174.900 -0.021 0.000 1.339 377 G CA -0.464 44.623 45.100 -0.023 0.000 0.803 377 G HN 0.023 nan 8.290 nan 0.000 0.482 378 D N -0.174 120.213 120.400 -0.022 0.000 2.468 378 D HA 0.274 4.914 4.640 0.000 0.000 0.218 378 D C 1.360 177.643 176.300 -0.028 0.000 1.155 378 D CA -0.666 53.316 54.000 -0.031 0.000 0.924 378 D CB 1.265 42.042 40.800 -0.039 0.000 1.029 378 D HN 0.272 nan 8.370 nan 0.000 0.515 379 R N 1.299 121.777 120.500 -0.036 0.000 2.377 379 R HA -0.072 4.268 4.340 0.000 0.000 0.207 379 R C 1.803 178.099 176.300 -0.007 0.000 1.075 379 R CA 1.158 57.246 56.100 -0.020 0.000 1.035 379 R CB -0.605 29.657 30.300 -0.065 0.000 0.857 379 R HN 0.447 nan 8.270 nan 0.000 0.475 380 T N -2.850 111.676 114.554 -0.046 0.000 3.081 380 T HA 0.176 4.526 4.350 0.000 0.000 0.255 380 T C 0.713 175.318 174.700 -0.158 0.000 1.113 380 T CA -0.130 61.924 62.100 -0.077 0.000 1.082 380 T CB 0.101 68.900 68.868 -0.115 0.000 0.939 380 T HN -0.063 nan 8.240 nan 0.000 0.506 381 R N 1.137 121.582 120.500 -0.092 0.000 2.410 381 R HA 0.395 4.735 4.340 0.000 0.000 0.288 381 R C -0.957 175.396 176.300 0.089 0.000 1.051 381 R CA -0.501 55.522 56.100 -0.128 0.000 1.021 381 R CB 0.523 30.779 30.300 -0.073 0.000 1.032 381 R HN 0.278 nan 8.270 nan 0.000 0.481 382 Y N 1.775 122.000 120.300 -0.126 0.000 2.352 382 Y HA 0.371 4.921 4.550 0.000 0.000 0.326 382 Y C -0.037 175.907 175.900 0.073 0.000 1.166 382 Y CA -1.388 56.627 58.100 -0.142 0.000 1.182 382 Y CB 0.931 39.057 38.460 -0.556 0.000 1.216 382 Y HN 0.461 nan 8.280 nan 0.000 0.474 383 F N 2.262 122.286 119.950 0.123 0.000 2.828 383 F HA 0.191 4.718 4.527 0.000 0.000 0.355 383 F C 0.877 176.722 175.800 0.074 0.000 1.200 383 F CA -0.599 57.448 58.000 0.078 0.000 1.062 383 F CB 1.441 40.486 39.000 0.075 0.000 1.351 383 F HN 0.563 nan 8.300 nan 0.000 0.504 384 S N 4.923 120.763 115.700 0.233 0.000 2.400 384 S HA -0.262 4.208 4.470 0.000 0.000 0.232 384 S C 1.955 176.351 174.600 -0.341 0.000 1.025 384 S CA 1.354 59.562 58.200 0.014 0.000 0.993 384 S CB -0.266 62.990 63.200 0.093 0.000 0.808 384 S HN 0.907 nan 8.310 nan 0.000 0.478 385 M N -0.018 119.061 119.600 -0.869 0.000 2.082 385 M HA -0.071 4.409 4.480 0.000 0.000 0.258 385 M C 1.150 176.971 176.300 -0.798 0.000 1.069 385 M CA 1.855 56.498 55.300 -1.096 0.000 1.102 385 M CB -0.216 31.337 32.600 -1.744 0.000 1.336 385 M HN 0.553 nan 8.290 nan 0.000 0.404 386 W N -0.368 120.551 121.300 -0.635 0.000 3.316 386 W HA 0.224 4.884 4.660 0.000 0.000 0.327 386 W C 0.441 176.725 176.519 -0.392 0.000 1.232 386 W CA -0.670 56.526 57.345 -0.248 0.000 1.805 386 W CB -0.111 29.241 29.460 -0.180 0.000 1.090 386 W HN 0.360 nan 8.180 nan 0.000 0.654 387 N N 1.416 119.947 118.700 -0.282 0.000 2.754 387 N HA -0.259 4.481 4.740 0.000 0.000 0.248 387 N C -0.031 175.341 175.510 -0.229 0.000 1.093 387 N CA 0.694 53.477 53.050 -0.445 0.000 0.699 387 N CB -1.110 36.596 38.487 -1.302 0.000 1.016 387 N HN 0.335 nan 8.380 nan 0.000 0.552 388 Q N 0.266 120.039 119.800 -0.044 0.000 2.534 388 Q HA 0.495 4.835 4.340 0.000 0.000 0.223 388 Q C -0.861 175.142 176.000 0.006 0.000 1.239 388 Q CA 0.263 56.107 55.803 0.068 0.000 0.936 388 Q CB 0.079 28.974 28.738 0.262 0.000 1.457 388 Q HN 0.408 nan 8.270 nan 0.000 0.547 389 A N 3.956 126.695 122.820 -0.135 0.000 2.679 389 A HA 0.270 4.590 4.320 0.000 0.000 0.288 389 A C -0.879 176.582 177.584 -0.205 0.000 1.160 389 A CA -0.572 51.198 52.037 -0.446 0.000 0.763 389 A CB 1.118 19.600 19.000 -0.863 0.000 1.270 389 A HN 0.511 nan 8.150 nan 0.000 0.417 390 V N 2.637 122.539 119.914 -0.021 0.000 2.788 390 V HA 0.049 4.169 4.120 0.000 0.000 0.307 390 V C 0.085 176.198 176.094 0.032 0.000 1.069 390 V CA 0.296 62.610 62.300 0.025 0.000 1.173 390 V CB 0.498 32.353 31.823 0.052 0.000 0.925 390 V HN 0.813 nan 8.190 nan 0.000 0.492 391 D N 4.371 124.790 120.400 0.033 0.000 2.389 391 D HA 0.392 5.032 4.640 0.000 0.000 0.247 391 D C 0.032 176.477 176.300 0.242 0.000 1.128 391 D CA 0.510 54.574 54.000 0.107 0.000 0.884 391 D CB 1.355 42.166 40.800 0.017 0.000 1.194 391 D HN 0.831 nan 8.370 nan 0.000 0.441 392 S N 1.029 116.921 115.700 0.321 0.000 2.688 392 S HA 0.725 5.195 4.470 0.000 0.000 0.275 392 S C -1.119 173.519 174.600 0.064 0.000 1.175 392 S CA -0.990 57.323 58.200 0.189 0.000 0.818 392 S CB 1.593 64.792 63.200 -0.002 0.000 1.157 392 S HN 0.546 nan 8.310 nan 0.000 0.482 393 Y N -1.093 119.127 120.300 -0.134 0.000 2.644 393 Y HA 0.745 5.295 4.550 0.000 0.000 0.338 393 Y C -1.084 174.681 175.900 -0.224 0.000 1.119 393 Y CA -1.217 56.709 58.100 -0.291 0.000 1.060 393 Y CB 0.650 38.781 38.460 -0.549 0.000 1.294 393 Y HN 0.617 nan 8.280 nan 0.000 0.472 394 D N 2.050 122.465 120.400 0.024 0.000 2.343 394 D HA 0.240 4.880 4.640 0.000 0.000 0.255 394 D C -1.908 174.465 176.300 0.122 0.000 1.187 394 D CA -2.293 51.719 54.000 0.019 0.000 0.875 394 D CB 1.734 42.510 40.800 -0.040 0.000 1.136 394 D HN 0.356 nan 8.370 nan 0.000 0.469 395 P HA -0.099 nan 4.420 nan 0.000 0.216 395 P C 0.510 177.855 177.300 0.076 0.000 1.150 395 P CA 0.881 64.054 63.100 0.123 0.000 0.837 395 P CB 0.326 32.056 31.700 0.051 0.000 0.786 396 D N -1.445 119.009 120.400 0.091 0.000 2.348 396 D HA -0.038 4.602 4.640 0.000 0.000 0.216 396 D C 1.717 178.128 176.300 0.185 0.000 0.970 396 D CA 0.700 54.786 54.000 0.144 0.000 0.889 396 D CB 0.021 40.918 40.800 0.162 0.000 0.912 396 D HN 0.095 nan 8.370 nan 0.000 0.524 397 V N 0.431 120.375 119.914 0.050 0.000 2.575 397 V HA -0.056 4.064 4.120 0.000 0.000 0.242 397 V C 2.378 178.338 176.094 -0.224 0.000 1.045 397 V CA 0.595 62.822 62.300 -0.121 0.000 1.065 397 V CB -0.041 31.552 31.823 -0.384 0.000 0.717 397 V HN -0.028 nan 8.190 nan 0.000 0.467 398 R N 0.738 121.065 120.500 -0.288 0.000 2.075 398 R HA 0.068 4.408 4.340 0.000 0.000 0.232 398 R C 0.607 176.766 176.300 -0.235 0.000 1.126 398 R CA 1.530 57.379 56.100 -0.418 0.000 0.963 398 R CB -0.156 29.751 30.300 -0.656 0.000 0.858 398 R HN 0.455 nan 8.270 nan 0.000 0.435 399 I N 1.596 122.097 120.570 -0.114 0.000 2.411 399 I HA 0.270 4.440 4.170 0.000 0.000 0.284 399 I C -0.626 175.510 176.117 0.032 0.000 1.012 399 I CA -0.760 60.502 61.300 -0.064 0.000 1.119 399 I CB 1.950 39.916 38.000 -0.055 0.000 1.261 399 I HN -0.021 nan 8.210 nan 0.000 0.448 400 I N 5.881 126.493 120.570 0.071 0.000 2.517 400 I HA 0.079 4.249 4.170 0.000 0.000 0.285 400 I C 0.652 176.879 176.117 0.184 0.000 1.106 400 I CA 0.311 61.713 61.300 0.169 0.000 1.402 400 I CB 0.392 38.503 38.000 0.185 0.000 1.399 400 I HN 0.616 nan 8.210 nan 0.000 0.535 401 E N 6.688 126.998 120.200 0.182 0.000 2.173 401 E HA 0.109 4.459 4.350 0.000 0.000 0.249 401 E C -0.672 175.950 176.600 0.038 0.000 0.923 401 E CA -0.505 55.964 56.400 0.116 0.000 0.754 401 E CB 0.590 30.343 29.700 0.090 0.000 1.177 401 E HN 0.430 nan 8.360 nan 0.000 0.430 402 N N 2.860 121.626 118.700 0.109 0.000 2.719 402 N HA -0.008 4.732 4.740 0.000 0.000 0.243 402 N C -0.157 175.309 175.510 -0.073 0.000 1.104 402 N CA -0.116 52.975 53.050 0.069 0.000 0.981 402 N CB 0.086 38.739 38.487 0.277 0.000 1.290 402 N HN 0.501 nan 8.380 nan 0.000 0.513 403 H N 1.226 120.207 119.070 -0.147 0.000 2.538 403 H HA 0.439 4.995 4.556 0.000 0.000 0.286 403 H C 1.259 176.472 175.328 -0.191 0.000 1.035 403 H CA -0.164 55.799 56.048 -0.142 0.000 1.169 403 H CB -0.210 29.464 29.762 -0.146 0.000 1.417 403 H HN 0.509 nan 8.280 nan 0.000 0.567 404 G N 0.725 109.380 108.800 -0.243 0.000 2.542 404 G HA2 -0.167 3.793 3.960 0.000 0.000 0.235 404 G HA3 -0.167 3.793 3.960 0.000 0.000 0.235 404 G C -0.159 174.537 174.900 -0.340 0.000 1.286 404 G CA -0.014 44.969 45.100 -0.195 0.000 0.904 404 G HN 1.091 nan 8.290 nan 0.000 0.577 405 T N -2.516 111.946 114.554 -0.152 0.000 2.909 405 T HA 0.692 5.042 4.350 0.000 0.000 0.299 405 T C -0.579 174.084 174.700 -0.062 0.000 1.073 405 T CA -0.215 61.807 62.100 -0.130 0.000 0.999 405 T CB 2.321 71.154 68.868 -0.058 0.000 1.098 405 T HN 0.692 nan 8.240 nan 0.000 0.477 406 E N 2.270 122.434 120.200 -0.059 0.000 1.932 406 E HA 0.186 4.536 4.350 0.000 0.000 0.259 406 E C -0.326 176.248 176.600 -0.043 0.000 1.099 406 E CA -0.479 55.892 56.400 -0.048 0.000 0.970 406 E CB 0.122 29.790 29.700 -0.053 0.000 1.143 406 E HN 0.700 nan 8.360 nan 0.000 0.441 407 D N 1.372 121.748 120.400 -0.039 0.000 2.643 407 D HA 0.017 4.657 4.640 0.000 0.000 0.244 407 D C 0.597 176.867 176.300 -0.050 0.000 1.257 407 D CA -0.251 53.722 54.000 -0.046 0.000 0.831 407 D CB 0.371 41.146 40.800 -0.041 0.000 1.043 407 D HN 0.089 nan 8.370 nan 0.000 0.488 408 E N 0.324 120.499 120.200 -0.042 0.000 2.058 408 E HA -0.003 4.347 4.350 0.000 0.000 0.194 408 E C 0.577 177.152 176.600 -0.041 0.000 0.997 408 E CA 0.846 57.224 56.400 -0.036 0.000 0.801 408 E CB 0.070 29.753 29.700 -0.029 0.000 0.746 408 E HN 0.423 nan 8.360 nan 0.000 0.450 409 L N 2.482 123.677 121.223 -0.047 0.000 2.326 409 L HA 0.285 4.625 4.340 0.000 0.000 0.278 409 L C -1.968 174.834 176.870 -0.112 0.000 1.092 409 L CA -2.077 52.731 54.840 -0.053 0.000 0.810 409 L CB 0.592 42.631 42.059 -0.034 0.000 1.153 409 L HN 0.036 nan 8.230 nan 0.000 0.439 410 P HA 0.176 nan 4.420 nan 0.000 0.277 410 P C -1.477 175.494 177.300 -0.548 0.000 1.240 410 P CA -0.536 62.340 63.100 -0.375 0.000 0.798 410 P CB 0.842 32.293 31.700 -0.416 0.000 0.979 411 N N 1.159 119.485 118.700 -0.624 0.000 2.372 411 N HA 0.413 5.153 4.740 0.000 0.000 0.285 411 N C -1.000 174.134 175.510 -0.628 0.000 1.008 411 N CA -0.476 52.286 53.050 -0.480 0.000 0.880 411 N CB 1.067 39.410 38.487 -0.239 0.000 1.239 411 N HN 0.408 nan 8.380 nan 0.000 0.484 412 Y N -0.129 120.054 120.300 -0.194 0.000 2.602 412 Y HA 0.640 5.190 4.550 0.000 0.000 0.342 412 Y C 0.172 175.713 175.900 -0.598 0.000 1.029 412 Y CA -1.244 56.580 58.100 -0.460 0.000 1.080 412 Y CB 1.184 39.211 38.460 -0.722 0.000 1.284 412 Y HN 0.481 nan 8.280 nan 0.000 0.485 413 C N -0.107 118.869 119.300 -0.540 0.000 2.507 413 C HA 0.897 5.357 4.460 0.000 0.000 0.319 413 C C -0.974 173.603 174.990 -0.688 0.000 1.208 413 C CA -1.135 57.633 59.018 -0.417 0.000 1.619 413 C CB -0.416 27.219 27.740 -0.176 0.000 2.230 413 C HN 0.631 nan 8.230 nan 0.000 0.492 414 F N 0.208 120.147 119.950 -0.018 0.000 2.639 414 F HA 0.755 5.282 4.527 0.000 0.000 0.339 414 F C -2.033 173.764 175.800 -0.005 0.000 1.071 414 F CA -2.323 55.655 58.000 -0.038 0.000 0.994 414 F CB 0.242 39.211 39.000 -0.052 0.000 1.341 414 F HN 0.362 nan 8.300 nan 0.000 0.498 415 P HA 0.209 nan 4.420 nan 0.000 0.269 415 P C 0.723 178.032 177.300 0.014 0.000 1.215 415 P CA -0.083 63.103 63.100 0.143 0.000 0.780 415 P CB 0.624 32.415 31.700 0.152 0.000 0.898 416 L N 1.115 122.322 121.223 -0.027 0.000 2.083 416 L HA -0.124 4.216 4.340 0.000 0.000 0.209 416 L C 2.481 178.999 176.870 -0.588 0.000 1.083 416 L CA 1.910 56.653 54.840 -0.162 0.000 0.752 416 L CB -1.170 40.882 42.059 -0.012 0.000 0.899 416 L HN 0.599 nan 8.230 nan 0.000 0.433 417 G N -0.861 107.463 108.800 -0.792 0.000 2.422 417 G HA2 0.027 3.987 3.960 0.000 0.000 0.218 417 G HA3 0.027 3.987 3.960 0.000 0.000 0.218 417 G C 1.303 175.723 174.900 -0.799 0.000 1.146 417 G CA 0.923 45.025 45.100 -1.664 0.000 0.769 417 G HN 0.579 nan 8.290 nan 0.000 0.547 418 G N -2.506 106.071 108.800 -0.371 0.000 2.184 418 G HA2 0.096 4.056 3.960 0.000 0.000 0.206 418 G HA3 0.096 4.056 3.960 0.000 0.000 0.206 418 G C 0.002 174.840 174.900 -0.104 0.000 0.995 418 G CA 0.345 45.314 45.100 -0.218 0.000 0.651 418 G HN 1.566 nan 8.290 nan 0.000 0.511 419 V N -0.527 119.353 119.914 -0.056 0.000 3.121 419 V HA 0.625 4.745 4.120 0.000 0.000 0.263 419 V C -0.295 175.856 176.094 0.094 0.000 1.795 419 V CA 0.164 62.490 62.300 0.044 0.000 0.979 419 V CB 1.761 33.603 31.823 0.032 0.000 1.335 419 V HN 0.650 nan 8.190 nan 0.000 0.462 420 I N 1.965 122.607 120.570 0.119 0.000 4.922 420 I HA 0.359 4.529 4.170 0.000 0.000 0.331 420 I C 0.297 176.450 176.117 0.060 0.000 1.260 420 I CA 0.054 61.423 61.300 0.116 0.000 1.366 420 I CB 0.760 38.827 38.000 0.111 0.000 1.386 420 I HN 0.677 nan 8.210 nan 0.000 0.483 421 N N 3.302 122.024 118.700 0.038 0.000 3.250 421 N HA 0.120 4.860 4.740 0.000 0.000 0.307 421 N C -0.164 175.358 175.510 0.021 0.000 1.355 421 N CA 0.207 53.261 53.050 0.006 0.000 1.192 421 N CB 0.005 38.484 38.487 -0.013 0.000 1.478 421 N HN 0.366 nan 8.380 nan 0.000 0.543 422 T N -1.649 112.924 114.554 0.031 0.000 2.899 422 T HA 0.304 4.654 4.350 0.000 0.000 0.295 422 T C 0.312 175.018 174.700 0.010 0.000 1.033 422 T CA -0.741 61.374 62.100 0.025 0.000 1.084 422 T CB 1.542 70.431 68.868 0.034 0.000 0.979 422 T HN 0.384 nan 8.240 nan 0.000 0.532 423 E N 0.826 121.028 120.200 0.003 0.000 2.212 423 E HA 0.414 4.764 4.350 0.000 0.000 0.268 423 E C -1.141 175.454 176.600 -0.008 0.000 0.902 423 E CA -1.028 55.370 56.400 -0.003 0.000 0.779 423 E CB 1.348 31.045 29.700 -0.004 0.000 1.172 423 E HN 0.514 nan 8.360 nan 0.000 0.409 424 T N 3.962 118.510 114.554 -0.010 0.000 2.779 424 T HA 0.295 4.645 4.350 0.000 0.000 0.296 424 T C 0.018 174.711 174.700 -0.012 0.000 0.938 424 T CA -0.117 61.975 62.100 -0.013 0.000 1.119 424 T CB -0.053 68.807 68.868 -0.014 0.000 0.891 424 T HN 0.316 nan 8.240 nan 0.000 0.526 425 L N 2.257 123.472 121.223 -0.013 0.000 2.283 425 L HA 0.649 4.989 4.340 0.000 0.000 0.259 425 L C 0.240 177.110 176.870 0.000 0.000 1.027 425 L CA -1.105 53.729 54.840 -0.010 0.000 0.828 425 L CB 2.259 44.309 42.059 -0.016 0.000 1.380 425 L HN 0.465 nan 8.230 nan 0.000 0.425 426 T N 0.462 115.020 114.554 0.007 0.000 2.829 426 T HA 0.275 4.625 4.350 0.000 0.000 0.280 426 T C -0.244 174.483 174.700 0.044 0.000 0.999 426 T CA -0.673 61.444 62.100 0.028 0.000 0.983 426 T CB 1.785 70.667 68.868 0.023 0.000 0.968 426 T HN 0.255 nan 8.240 nan 0.000 0.446 427 K N 2.169 122.631 120.400 0.103 0.000 2.469 427 K HA 0.323 4.643 4.320 0.000 0.000 0.274 427 K C -0.710 175.916 176.600 0.044 0.000 0.983 427 K CA 0.132 56.500 56.287 0.134 0.000 0.974 427 K CB 0.471 33.133 32.500 0.269 0.000 0.913 427 K HN 0.388 nan 8.250 nan 0.000 0.493 428 V N 3.593 123.507 119.914 0.001 0.000 2.971 428 V HA 0.415 4.535 4.120 0.000 0.000 0.309 428 V C -0.665 175.462 176.094 0.055 0.000 1.130 428 V CA -0.910 61.391 62.300 0.001 0.000 0.964 428 V CB 2.478 34.239 31.823 -0.102 0.000 1.029 428 V HN 0.705 nan 8.190 nan 0.000 0.427 429 K N 4.067 124.582 120.400 0.192 0.000 2.435 429 K HA 0.620 4.940 4.320 0.000 0.000 0.251 429 K C -2.746 174.153 176.600 0.499 0.000 0.954 429 K CA -1.705 54.742 56.287 0.267 0.000 0.820 429 K CB 2.987 35.546 32.500 0.098 0.000 1.292 429 K HN 0.375 nan 8.250 nan 0.000 0.436 430 P HA 0.153 nan 4.420 nan 0.000 0.317 430 P C -1.293 175.912 177.300 -0.159 0.000 1.307 430 P CA -0.414 62.552 63.100 -0.223 0.000 0.749 430 P CB 0.344 31.892 31.700 -0.255 0.000 1.377 431 K N -1.921 118.326 120.400 -0.255 0.000 7.188 431 K HA -0.143 4.177 4.320 0.000 0.000 0.734 431 K C 0.178 176.715 176.600 -0.105 0.000 2.514 431 K CA 0.805 57.001 56.287 -0.151 0.000 1.818 431 K CB -2.050 30.397 32.500 -0.089 0.000 2.025 431 K HN 0.837 nan 8.250 nan 0.000 0.292 432 T N -0.249 114.246 114.554 -0.099 0.000 6.178 432 T HA -0.104 4.246 4.350 0.000 0.000 0.277 432 T C 0.899 175.562 174.700 -0.061 0.000 2.183 432 T CA 1.191 63.255 62.100 -0.060 0.000 3.733 432 T CB -1.248 67.602 68.868 -0.031 0.000 0.719 432 T HN 0.948 nan 8.240 nan 0.000 0.455 433 G N 2.220 110.967 108.800 -0.087 0.000 3.371 433 G HA2 0.415 4.375 3.960 0.000 0.000 0.248 433 G HA3 0.415 4.375 3.960 0.000 0.000 0.248 433 G C 0.267 175.103 174.900 -0.107 0.000 1.161 433 G CA -0.107 44.951 45.100 -0.069 0.000 0.796 433 G HN 0.676 nan 8.290 nan 0.000 0.539 434 Q N 0.435 120.156 119.800 -0.131 0.000 2.454 434 Q HA 0.223 4.563 4.340 0.000 0.000 0.247 434 Q C -0.499 175.452 176.000 -0.081 0.000 1.028 434 Q CA -0.094 55.630 55.803 -0.133 0.000 0.910 434 Q CB 1.094 29.754 28.738 -0.131 0.000 1.276 434 Q HN 0.272 nan 8.270 nan 0.000 0.489 435 E N 1.875 122.031 120.200 -0.072 0.000 2.417 435 E HA -0.062 4.288 4.350 0.000 0.000 0.261 435 E C -0.643 175.880 176.600 -0.128 0.000 1.000 435 E CA -0.160 56.184 56.400 -0.092 0.000 0.919 435 E CB 0.125 29.788 29.700 -0.062 0.000 0.955 435 E HN 0.465 nan 8.360 nan 0.000 0.455 436 N N 1.514 120.086 118.700 -0.213 0.000 2.681 436 N HA -0.140 4.600 4.740 0.000 0.000 0.259 436 N C -0.602 174.680 175.510 -0.380 0.000 1.066 436 N CA 1.118 53.957 53.050 -0.351 0.000 0.717 436 N CB -1.293 37.076 38.487 -0.195 0.000 0.885 436 N HN 0.647 nan 8.380 nan 0.000 0.547 437 G N -0.837 107.710 108.800 -0.421 0.000 2.452 437 G HA2 0.627 4.587 3.960 0.000 0.000 0.324 437 G HA3 0.627 4.587 3.960 0.000 0.000 0.324 437 G C -0.772 173.922 174.900 -0.343 0.000 1.214 437 G CA -0.569 44.381 45.100 -0.250 0.000 0.947 437 G HN 0.186 nan 8.290 nan 0.000 0.478 438 W N 0.728 122.026 121.300 -0.003 0.000 2.761 438 W HA 0.528 5.188 4.660 0.000 0.000 0.340 438 W C -0.106 176.411 176.519 -0.004 0.000 1.072 438 W CA -0.544 56.798 57.345 -0.004 0.000 1.215 438 W CB 2.419 31.878 29.460 -0.002 0.000 1.420 438 W HN 0.513 nan 8.180 nan 0.000 0.519 439 E N 0.948 121.289 120.200 0.235 0.000 2.359 439 E HA 0.289 4.639 4.350 0.000 0.000 0.266 439 E C -0.620 176.046 176.600 0.110 0.000 0.920 439 E CA -1.015 55.462 56.400 0.128 0.000 0.788 439 E CB 2.774 32.516 29.700 0.070 0.000 1.279 439 E HN 0.115 nan 8.360 nan 0.000 0.438 440 K N 1.090 121.532 120.400 0.070 0.000 2.414 440 K HA 0.038 4.358 4.320 0.000 0.000 0.272 440 K C -0.371 176.251 176.600 0.037 0.000 0.993 440 K CA -0.004 56.314 56.287 0.051 0.000 0.964 440 K CB 0.361 32.885 32.500 0.040 0.000 0.925 440 K HN 0.353 nan 8.250 nan 0.000 0.487 441 D N 0.672 121.087 120.400 0.025 0.000 2.210 441 D HA 0.176 4.816 4.640 0.000 0.000 0.249 441 D C 0.192 176.494 176.300 0.005 0.000 1.078 441 D CA -0.123 53.873 54.000 -0.006 0.000 0.875 441 D CB 1.763 42.528 40.800 -0.057 0.000 1.175 441 D HN 0.541 nan 8.370 nan 0.000 0.440 442 A N 2.348 125.164 122.820 -0.007 0.000 1.984 442 A HA -0.034 4.286 4.320 0.000 0.000 0.214 442 A C 1.465 179.053 177.584 0.007 0.000 1.173 442 A CA 0.898 52.938 52.037 0.005 0.000 0.673 442 A CB -0.319 18.682 19.000 0.001 0.000 0.830 442 A HN 0.612 nan 8.150 nan 0.000 0.453 443 T N 0.027 114.569 114.554 -0.021 0.000 3.500 443 T HA 0.230 4.580 4.350 0.000 0.000 0.244 443 T C 0.064 174.786 174.700 0.037 0.000 0.962 443 T CA -0.272 61.820 62.100 -0.014 0.000 0.932 443 T CB -0.829 68.003 68.868 -0.061 0.000 1.096 443 T HN 0.505 nan 8.240 nan 0.000 0.617 444 E N 0.592 120.852 120.200 0.100 0.000 2.458 444 E HA 0.141 4.491 4.350 0.000 0.000 0.264 444 E C -0.543 176.245 176.600 0.315 0.000 1.097 444 E CA -0.055 56.502 56.400 0.261 0.000 0.973 444 E CB 0.037 29.836 29.700 0.165 0.000 0.963 444 E HN 0.419 nan 8.360 nan 0.000 0.451 445 F N 0.182 120.129 119.950 -0.005 0.000 2.744 445 F HA -0.226 4.301 4.527 0.000 0.000 0.377 445 F C 0.511 176.306 175.800 -0.009 0.000 1.069 445 F CA 0.561 58.557 58.000 -0.007 0.000 1.211 445 F CB -2.051 36.947 39.000 -0.003 0.000 1.606 445 F HN 0.379 nan 8.300 nan 0.000 0.781 446 S N 0.392 116.121 115.700 0.048 0.000 2.599 446 S HA -0.006 4.464 4.470 0.000 0.000 0.303 446 S C 1.353 175.972 174.600 0.032 0.000 1.267 446 S CA 0.024 58.239 58.200 0.025 0.000 1.055 446 S CB 0.776 63.963 63.200 -0.022 0.000 0.790 446 S HN 0.546 nan 8.310 nan 0.000 0.500 447 D N 1.597 122.017 120.400 0.035 0.000 2.403 447 D HA -0.116 4.524 4.640 0.000 0.000 0.227 447 D C -0.041 176.265 176.300 0.010 0.000 0.995 447 D CA 0.740 54.759 54.000 0.032 0.000 0.928 447 D CB -0.215 40.601 40.800 0.026 0.000 0.887 447 D HN 0.672 nan 8.370 nan 0.000 0.529 448 K N 0.769 121.164 120.400 -0.008 0.000 2.530 448 K HA 0.293 4.613 4.320 0.000 0.000 0.230 448 K C -0.885 175.689 176.600 -0.044 0.000 1.002 448 K CA -0.642 55.631 56.287 -0.023 0.000 1.014 448 K CB 0.946 33.429 32.500 -0.027 0.000 1.286 448 K HN -0.104 nan 8.250 nan 0.000 0.480 449 N N 2.029 120.703 118.700 -0.042 0.000 2.314 449 N HA 0.206 4.946 4.740 0.000 0.000 0.294 449 N C -1.030 174.453 175.510 -0.045 0.000 1.029 449 N CA -0.733 52.279 53.050 -0.064 0.000 0.845 449 N CB 1.850 40.290 38.487 -0.080 0.000 1.321 449 N HN 0.314 nan 8.380 nan 0.000 0.481 450 E N 1.434 121.606 120.200 -0.046 0.000 2.105 450 E HA 0.421 4.771 4.350 0.000 0.000 0.285 450 E C -0.360 176.232 176.600 -0.013 0.000 1.055 450 E CA 0.043 56.430 56.400 -0.022 0.000 0.843 450 E CB 0.675 30.368 29.700 -0.011 0.000 1.067 450 E HN 0.405 nan 8.360 nan 0.000 0.398 451 I N 2.697 123.262 120.570 -0.009 0.000 2.498 451 I HA 0.384 4.554 4.170 0.000 0.000 0.290 451 I C -0.282 175.836 176.117 0.002 0.000 1.032 451 I CA -1.274 60.022 61.300 -0.006 0.000 1.073 451 I CB 1.812 39.804 38.000 -0.014 0.000 1.251 451 I HN 0.209 nan 8.210 nan 0.000 0.426 452 R N 5.583 126.088 120.500 0.008 0.000 2.297 452 R HA 0.539 4.879 4.340 0.000 0.000 0.308 452 R C -1.617 174.687 176.300 0.006 0.000 1.029 452 R CA -0.286 55.822 56.100 0.014 0.000 0.929 452 R CB 1.138 31.453 30.300 0.025 0.000 1.046 452 R HN 0.407 nan 8.270 nan 0.000 0.461 453 V N 5.529 125.447 119.914 0.007 0.000 2.347 453 V HA 0.791 4.911 4.120 0.000 0.000 0.280 453 V C 0.734 176.833 176.094 0.009 0.000 1.021 453 V CA 0.488 62.789 62.300 0.002 0.000 0.847 453 V CB 0.416 32.237 31.823 -0.003 0.000 0.990 453 V HN 1.066 nan 8.190 nan 0.000 0.444 454 G N 5.097 113.900 108.800 0.006 0.000 2.483 454 G HA2 -0.144 3.816 3.960 0.000 0.000 0.521 454 G HA3 -0.144 3.816 3.960 0.000 0.000 0.521 454 G C -0.700 174.206 174.900 0.010 0.000 1.278 454 G CA -0.823 44.283 45.100 0.010 0.000 0.965 454 G HN 0.581 nan 8.290 nan 0.000 0.504 455 N N 0.961 119.668 118.700 0.012 0.000 2.424 455 N HA 0.326 5.066 4.740 0.000 0.000 0.257 455 N C 0.838 176.371 175.510 0.038 0.000 1.250 455 N CA 0.327 53.381 53.050 0.006 0.000 0.946 455 N CB 0.291 38.773 38.487 -0.009 0.000 1.175 455 N HN 0.908 nan 8.380 nan 0.000 0.477 456 N N -0.430 118.294 118.700 0.040 0.000 2.317 456 N HA 0.065 4.805 4.740 0.000 0.000 0.245 456 N C -0.604 175.012 175.510 0.177 0.000 1.294 456 N CA -0.284 52.828 53.050 0.103 0.000 0.924 456 N CB 0.145 38.682 38.487 0.083 0.000 1.186 456 N HN 0.403 nan 8.380 nan 0.000 0.495 457 F N -0.330 119.661 119.950 0.069 0.000 2.438 457 F HA 0.567 5.094 4.527 0.000 0.000 0.356 457 F C -0.209 175.630 175.800 0.064 0.000 1.099 457 F CA -0.875 57.157 58.000 0.053 0.000 1.185 457 F CB -0.107 38.922 39.000 0.047 0.000 1.115 457 F HN 0.720 nan 8.300 nan 0.000 0.526 458 A N 7.531 129.942 122.820 -0.682 0.000 2.475 458 A HA 0.827 5.147 4.320 0.000 0.000 0.301 458 A C -1.235 175.916 177.584 -0.722 0.000 1.059 458 A CA -0.886 50.748 52.037 -0.671 0.000 0.710 458 A CB 1.531 20.221 19.000 -0.517 0.000 1.288 458 A HN 0.661 nan 8.150 nan 0.000 0.408 459 M N 1.337 120.622 119.600 -0.524 0.000 2.465 459 M HA 0.471 4.951 4.480 0.000 0.000 0.316 459 M C -0.383 175.836 176.300 -0.135 0.000 1.121 459 M CA -0.216 54.904 55.300 -0.301 0.000 0.934 459 M CB 1.664 34.118 32.600 -0.242 0.000 1.692 459 M HN 0.950 nan 8.290 nan 0.000 0.444 460 E N 2.276 122.436 120.200 -0.067 0.000 2.207 460 E HA 0.782 5.132 4.350 0.000 0.000 0.270 460 E C -1.773 174.736 176.600 -0.151 0.000 0.927 460 E CA -0.635 55.700 56.400 -0.108 0.000 0.799 460 E CB 2.577 32.230 29.700 -0.079 0.000 1.172 460 E HN 0.729 nan 8.360 nan 0.000 0.404 461 I N 3.059 123.509 120.570 -0.200 0.000 2.722 461 I HA 0.278 4.448 4.170 0.000 0.000 0.292 461 I C -1.763 174.257 176.117 -0.162 0.000 1.267 461 I CA -0.808 60.401 61.300 -0.153 0.000 1.036 461 I CB 2.005 39.941 38.000 -0.106 0.000 1.281 461 I HN 0.484 nan 8.210 nan 0.000 0.423 462 N N 7.484 126.106 118.700 -0.130 0.000 2.602 462 N HA 0.230 4.970 4.740 0.000 0.000 0.238 462 N C 0.690 176.166 175.510 -0.055 0.000 1.084 462 N CA -0.023 52.965 53.050 -0.103 0.000 0.952 462 N CB 0.775 39.209 38.487 -0.088 0.000 1.244 462 N HN 0.787 nan 8.380 nan 0.000 0.512 463 L N 3.346 124.535 121.223 -0.057 0.000 1.956 463 L HA -0.248 4.092 4.340 0.000 0.000 0.216 463 L C 1.733 178.610 176.870 0.012 0.000 1.073 463 L CA 1.567 56.394 54.840 -0.022 0.000 0.762 463 L CB -0.252 41.790 42.059 -0.028 0.000 0.889 463 L HN 0.603 nan 8.230 nan 0.000 0.433 464 N N -0.862 117.841 118.700 0.006 0.000 2.149 464 N HA -0.208 4.532 4.740 0.000 0.000 0.188 464 N C 1.758 177.321 175.510 0.088 0.000 1.019 464 N CA 1.078 54.146 53.050 0.030 0.000 0.857 464 N CB -0.147 38.336 38.487 -0.006 0.000 0.997 464 N HN 0.402 nan 8.380 nan 0.000 0.426 465 A N 1.248 124.115 122.820 0.079 0.000 1.930 465 A HA -0.121 4.199 4.320 0.000 0.000 0.217 465 A C 1.985 179.664 177.584 0.159 0.000 1.175 465 A CA 1.115 53.238 52.037 0.143 0.000 0.627 465 A CB -0.373 18.679 19.000 0.087 0.000 0.815 465 A HN 0.264 nan 8.150 nan 0.000 0.443 466 N N 0.084 118.840 118.700 0.093 0.000 2.058 466 N HA -0.103 4.637 4.740 0.000 0.000 0.191 466 N C 1.793 177.376 175.510 0.121 0.000 1.037 466 N CA 1.424 54.521 53.050 0.078 0.000 0.848 466 N CB -0.375 38.136 38.487 0.040 0.000 1.021 466 N HN 0.464 nan 8.380 nan 0.000 0.422 467 L N 0.121 121.428 121.223 0.141 0.000 2.042 467 L HA -0.186 4.154 4.340 0.000 0.000 0.210 467 L C 2.437 179.486 176.870 0.299 0.000 1.076 467 L CA 1.185 56.134 54.840 0.181 0.000 0.749 467 L CB -0.347 41.798 42.059 0.142 0.000 0.893 467 L HN 0.448 nan 8.230 nan 0.000 0.432 468 W N 0.949 122.286 121.300 0.061 0.000 2.355 468 W HA -0.279 4.381 4.660 0.000 0.000 0.309 468 W C 2.729 179.340 176.519 0.153 0.000 1.206 468 W CA 1.203 58.595 57.345 0.079 0.000 1.284 468 W CB -0.077 29.396 29.460 0.022 0.000 1.145 468 W HN 0.094 nan 8.180 nan 0.000 0.502 469 R N 0.633 121.179 120.500 0.076 0.000 2.083 469 R HA -0.193 4.147 4.340 0.000 0.000 0.237 469 R C 2.099 178.389 176.300 -0.017 0.000 1.137 469 R CA 2.025 58.072 56.100 -0.088 0.000 0.951 469 R CB -0.777 29.511 30.300 -0.020 0.000 0.851 469 R HN 0.240 nan 8.270 nan 0.000 0.434 470 N N -0.379 118.368 118.700 0.078 0.000 2.149 470 N HA -0.209 4.531 4.740 0.000 0.000 0.188 470 N C 1.656 177.254 175.510 0.147 0.000 1.019 470 N CA 1.369 54.488 53.050 0.114 0.000 0.857 470 N CB -0.172 38.391 38.487 0.127 0.000 0.997 470 N HN 0.171 nan 8.380 nan 0.000 0.426 471 F N 2.083 122.051 119.950 0.030 0.000 2.113 471 F HA -0.061 4.466 4.527 0.000 0.000 0.297 471 F C 2.117 177.873 175.800 -0.073 0.000 1.103 471 F CA 0.994 59.013 58.000 0.031 0.000 1.248 471 F CB -0.357 38.699 39.000 0.094 0.000 0.999 471 F HN -0.089 nan 8.300 nan 0.000 0.475 472 L N -1.055 120.015 121.223 -0.255 0.000 2.046 472 L HA -0.239 4.101 4.340 0.000 0.000 0.208 472 L C 2.387 179.124 176.870 -0.222 0.000 1.077 472 L CA 1.778 56.389 54.840 -0.383 0.000 0.747 472 L CB -1.012 40.759 42.059 -0.479 0.000 0.896 472 L HN 0.250 nan 8.230 nan 0.000 0.432 473 Y N -0.266 119.908 120.300 -0.209 0.000 2.200 473 Y HA -0.271 4.279 4.550 0.000 0.000 0.290 473 Y C 2.986 178.824 175.900 -0.103 0.000 1.137 473 Y CA 1.748 59.764 58.100 -0.141 0.000 1.163 473 Y CB -0.003 38.389 38.460 -0.113 0.000 0.988 473 Y HN 0.114 nan 8.280 nan 0.000 0.518 474 S N -0.022 115.644 115.700 -0.058 0.000 2.368 474 S HA -0.166 4.304 4.470 0.000 0.000 0.224 474 S C 1.692 176.311 174.600 0.031 0.000 1.029 474 S CA 1.708 59.875 58.200 -0.054 0.000 0.988 474 S CB -0.367 62.868 63.200 0.057 0.000 0.838 474 S HN 0.612 nan 8.310 nan 0.000 0.462 475 N N 0.087 118.733 118.700 -0.089 0.000 2.409 475 N HA 0.244 4.984 4.740 0.000 0.000 0.174 475 N C 1.514 177.054 175.510 0.050 0.000 1.037 475 N CA 0.880 53.938 53.050 0.013 0.000 0.898 475 N CB 0.224 38.465 38.487 -0.410 0.000 1.010 475 N HN 0.462 nan 8.380 nan 0.000 0.445 476 I N 0.298 120.806 120.570 -0.102 0.000 3.345 476 I HA 0.119 4.289 4.170 0.000 0.000 0.258 476 I C 2.264 178.349 176.117 -0.054 0.000 1.134 476 I CA 0.178 61.443 61.300 -0.058 0.000 1.457 476 I CB -0.313 37.614 38.000 -0.121 0.000 1.425 476 I HN -0.136 nan 8.210 nan 0.000 0.461 477 A N 1.764 124.482 122.820 -0.171 0.000 1.859 477 A HA -0.237 4.083 4.320 0.000 0.000 0.218 477 A C 2.234 179.621 177.584 -0.328 0.000 1.209 477 A CA 1.883 53.770 52.037 -0.249 0.000 0.639 477 A CB -1.258 17.529 19.000 -0.355 0.000 0.835 477 A HN 0.395 nan 8.150 nan 0.000 0.450 478 L N -2.309 118.613 121.223 -0.502 0.000 2.349 478 L HA -0.185 4.155 4.340 0.000 0.000 0.220 478 L C 1.919 178.506 176.870 -0.472 0.000 1.130 478 L CA 0.999 55.521 54.840 -0.530 0.000 0.791 478 L CB -0.360 41.319 42.059 -0.634 0.000 0.918 478 L HN 0.544 nan 8.230 nan 0.000 0.444 479 Y N -0.972 119.196 120.300 -0.220 0.000 2.457 479 Y HA 0.174 4.724 4.550 0.000 0.000 0.263 479 Y C 1.064 176.899 175.900 -0.108 0.000 1.164 479 Y CA -0.591 57.425 58.100 -0.140 0.000 1.274 479 Y CB 0.077 38.488 38.460 -0.082 0.000 1.097 479 Y HN 0.013 nan 8.280 nan 0.000 0.523 480 L N 1.690 122.893 121.223 -0.033 0.000 2.483 480 L HA 0.051 4.391 4.340 0.000 0.000 0.275 480 L C -1.912 174.914 176.870 -0.072 0.000 1.220 480 L CA -1.746 53.061 54.840 -0.055 0.000 0.833 480 L CB 0.139 42.127 42.059 -0.118 0.000 1.102 480 L HN -0.076 nan 8.230 nan 0.000 0.490 481 P HA -0.066 nan 4.420 nan 0.000 0.266 481 P C -0.070 177.185 177.300 -0.075 0.000 1.193 481 P CA 0.075 63.147 63.100 -0.046 0.000 0.770 481 P CB 0.492 32.170 31.700 -0.036 0.000 0.836 482 D N 2.446 122.827 120.400 -0.032 0.000 2.221 482 D HA -0.191 4.449 4.640 0.000 0.000 0.204 482 D C 1.602 177.886 176.300 -0.027 0.000 0.982 482 D CA 1.321 55.307 54.000 -0.022 0.000 0.857 482 D CB -0.026 40.814 40.800 0.067 0.000 0.934 482 D HN 0.426 nan 8.370 nan 0.000 0.475 483 K N -0.051 120.332 120.400 -0.028 0.000 2.280 483 K HA -0.104 4.216 4.320 0.000 0.000 0.202 483 K C 1.730 178.296 176.600 -0.058 0.000 1.047 483 K CA 0.888 57.160 56.287 -0.025 0.000 0.942 483 K CB -0.272 32.219 32.500 -0.016 0.000 0.739 483 K HN 0.246 nan 8.250 nan 0.000 0.457 484 L N 0.637 121.790 121.223 -0.117 0.000 2.592 484 L HA 0.138 4.478 4.340 0.000 0.000 0.227 484 L C 0.701 177.528 176.870 -0.071 0.000 1.127 484 L CA 0.025 54.780 54.840 -0.142 0.000 0.884 484 L CB 0.037 41.925 42.059 -0.284 0.000 1.065 484 L HN 0.118 nan 8.230 nan 0.000 0.457 485 K N -0.056 120.303 120.400 -0.068 0.000 2.240 485 K HA 0.514 4.834 4.320 0.000 0.000 0.237 485 K C -1.165 175.451 176.600 0.026 0.000 1.027 485 K CA -0.659 55.577 56.287 -0.085 0.000 0.937 485 K CB 1.412 33.795 32.500 -0.195 0.000 1.171 485 K HN -0.125 nan 8.250 nan 0.000 0.479 486 Y N -3.096 117.130 120.300 -0.122 0.000 2.552 486 Y HA 0.400 4.950 4.550 0.000 0.000 0.337 486 Y C -0.905 174.922 175.900 -0.121 0.000 1.094 486 Y CA -1.189 56.849 58.100 -0.103 0.000 1.028 486 Y CB 1.017 39.423 38.460 -0.089 0.000 1.321 486 Y HN 0.321 nan 8.280 nan 0.000 0.456 487 S N 4.717 120.438 115.700 0.036 0.000 2.564 487 S HA 0.311 4.781 4.470 0.000 0.000 0.278 487 S C -2.356 172.259 174.600 0.025 0.000 1.333 487 S CA -0.835 57.331 58.200 -0.056 0.000 1.048 487 S CB 0.278 63.473 63.200 -0.009 0.000 0.900 487 S HN 0.567 nan 8.310 nan 0.000 0.505 488 P HA 0.184 nan 4.420 nan 0.000 0.278 488 P C -0.765 176.553 177.300 0.031 0.000 1.238 488 P CA -0.538 62.560 63.100 -0.003 0.000 0.794 488 P CB 0.731 32.398 31.700 -0.057 0.000 0.955 489 S N 1.355 117.088 115.700 0.055 0.000 2.562 489 S HA 0.240 4.710 4.470 0.000 0.000 0.275 489 S C 0.588 175.172 174.600 -0.026 0.000 1.281 489 S CA -0.566 57.647 58.200 0.021 0.000 1.045 489 S CB -0.046 63.173 63.200 0.033 0.000 0.962 489 S HN 0.553 nan 8.310 nan 0.000 0.503 490 N N -1.111 117.569 118.700 -0.034 0.000 2.800 490 N HA -0.130 4.610 4.740 0.000 0.000 0.250 490 N C -0.946 174.531 175.510 -0.053 0.000 1.078 490 N CA 0.960 53.976 53.050 -0.056 0.000 0.804 490 N CB -1.642 36.786 38.487 -0.098 0.000 1.135 490 N HN 0.552 nan 8.380 nan 0.000 0.565 491 V N 0.652 120.544 119.914 -0.037 0.000 2.656 491 V HA 0.265 4.385 4.120 0.000 0.000 0.307 491 V C 0.447 176.528 176.094 -0.022 0.000 1.051 491 V CA -0.964 61.318 62.300 -0.030 0.000 0.893 491 V CB 2.477 34.284 31.823 -0.026 0.000 0.999 491 V HN -0.035 nan 8.190 nan 0.000 0.426 492 K N 4.322 124.712 120.400 -0.016 0.000 2.379 492 K HA 0.538 4.858 4.320 0.000 0.000 0.284 492 K C -0.676 175.915 176.600 -0.014 0.000 1.044 492 K CA 0.059 56.340 56.287 -0.009 0.000 0.974 492 K CB 1.171 33.669 32.500 -0.003 0.000 0.962 492 K HN 0.575 nan 8.250 nan 0.000 0.474 493 I N 1.184 121.751 120.570 -0.006 0.000 2.619 493 I HA 0.115 4.285 4.170 0.000 0.000 0.292 493 I C -0.169 175.978 176.117 0.050 0.000 1.100 493 I CA -0.505 60.793 61.300 -0.004 0.000 1.043 493 I CB 2.064 40.040 38.000 -0.041 0.000 1.239 493 I HN 0.622 nan 8.210 nan 0.000 0.420 494 S N 3.802 119.545 115.700 0.072 0.000 2.566 494 S HA -0.004 4.466 4.470 0.000 0.000 0.280 494 S C 0.533 175.203 174.600 0.116 0.000 1.343 494 S CA 0.460 58.711 58.200 0.085 0.000 1.036 494 S CB 0.660 63.907 63.200 0.078 0.000 0.866 494 S HN 0.750 nan 8.310 nan 0.000 0.526 495 D N 1.112 121.533 120.400 0.035 0.000 2.305 495 D HA 0.107 4.747 4.640 0.000 0.000 0.206 495 D C 0.119 176.346 176.300 -0.122 0.000 0.974 495 D CA 0.386 54.378 54.000 -0.013 0.000 0.871 495 D CB 0.014 40.807 40.800 -0.013 0.000 0.947 495 D HN 0.416 nan 8.370 nan 0.000 0.516 496 N N 1.040 119.667 118.700 -0.121 0.000 2.406 496 N HA 0.060 4.800 4.740 0.000 0.000 0.251 496 N C -1.879 173.400 175.510 -0.385 0.000 1.069 496 N CA -1.789 51.149 53.050 -0.188 0.000 0.947 496 N CB 1.421 39.856 38.487 -0.087 0.000 1.111 496 N HN -0.059 nan 8.380 nan 0.000 0.497 497 P HA -0.009 nan 4.420 nan 0.000 0.234 497 P C -0.071 177.043 177.300 -0.309 0.000 1.167 497 P CA 0.663 63.208 63.100 -0.924 0.000 0.763 497 P CB 0.493 31.744 31.700 -0.748 0.000 0.835 498 N N -0.651 117.948 118.700 -0.168 0.000 2.336 498 N HA 0.037 4.777 4.740 0.000 0.000 0.189 498 N C 0.461 175.964 175.510 -0.012 0.000 1.113 498 N CA 0.422 53.440 53.050 -0.054 0.000 0.858 498 N CB -0.029 38.433 38.487 -0.042 0.000 0.970 498 N HN 0.098 nan 8.380 nan 0.000 0.471 499 T N -0.017 114.533 114.554 -0.007 0.000 2.913 499 T HA 0.065 4.415 4.350 0.000 0.000 0.287 499 T C 1.055 175.809 174.700 0.090 0.000 1.008 499 T CA -0.384 61.746 62.100 0.050 0.000 1.067 499 T CB 1.355 70.252 68.868 0.048 0.000 0.996 499 T HN 0.164 nan 8.240 nan 0.000 0.513 500 Y N 2.021 122.305 120.300 -0.027 0.000 2.220 500 Y HA -0.108 4.442 4.550 0.000 0.000 0.291 500 Y C 2.234 178.087 175.900 -0.078 0.000 1.129 500 Y CA 1.967 60.029 58.100 -0.064 0.000 1.161 500 Y CB -0.154 38.254 38.460 -0.086 0.000 0.997 500 Y HN 0.826 nan 8.280 nan 0.000 0.522 501 D N -0.870 119.526 120.400 -0.006 0.000 2.133 501 D HA -0.317 4.323 4.640 0.000 0.000 0.195 501 D C 2.034 178.226 176.300 -0.179 0.000 0.997 501 D CA 1.849 55.781 54.000 -0.115 0.000 0.840 501 D CB -0.542 40.263 40.800 0.009 0.000 0.947 501 D HN 0.537 nan 8.370 nan 0.000 0.452 502 Y N 0.339 120.523 120.300 -0.192 0.000 2.163 502 Y HA -0.112 4.438 4.550 0.000 0.000 0.288 502 Y C 2.131 177.879 175.900 -0.253 0.000 1.136 502 Y CA 1.618 59.608 58.100 -0.183 0.000 1.147 502 Y CB -0.142 38.247 38.460 -0.118 0.000 0.987 502 Y HN -0.002 nan 8.280 nan 0.000 0.509 503 M N -0.215 119.291 119.600 -0.156 0.000 2.460 503 M HA -0.131 4.349 4.480 0.000 0.000 0.263 503 M C 1.523 177.524 176.300 -0.499 0.000 1.071 503 M CA 1.555 56.681 55.300 -0.291 0.000 1.096 503 M CB -0.325 32.152 32.600 -0.205 0.000 1.408 503 M HN 0.277 nan 8.290 nan 0.000 0.463 504 N N 0.744 119.055 118.700 -0.649 0.000 2.409 504 N HA -0.019 4.721 4.740 0.000 0.000 0.174 504 N C 1.277 176.393 175.510 -0.657 0.000 1.037 504 N CA 0.911 53.509 53.050 -0.754 0.000 0.898 504 N CB 0.305 38.146 38.487 -1.076 0.000 1.010 504 N HN 0.209 nan 8.380 nan 0.000 0.445 505 K N -0.593 119.482 120.400 -0.541 0.000 2.348 505 K HA 0.202 4.522 4.320 0.000 0.000 0.194 505 K C -0.065 176.312 176.600 -0.372 0.000 1.052 505 K CA -0.240 55.805 56.287 -0.403 0.000 1.004 505 K CB 0.501 32.819 32.500 -0.303 0.000 0.873 505 K HN -0.021 nan 8.250 nan 0.000 0.523 506 R N 1.961 122.160 120.500 -0.502 0.000 2.502 506 R HA 0.011 4.351 4.340 0.000 0.000 0.292 506 R C -0.218 175.820 176.300 -0.438 0.000 0.998 506 R CA 0.129 55.917 56.100 -0.520 0.000 1.056 506 R CB 0.602 30.529 30.300 -0.622 0.000 0.939 506 R HN -0.034 nan 8.270 nan 0.000 0.411 507 V N 3.918 123.510 119.914 -0.537 0.000 2.539 507 V HA 0.453 4.573 4.120 0.000 0.000 0.292 507 V C -0.518 175.232 176.094 -0.573 0.000 1.045 507 V CA -0.623 61.346 62.300 -0.552 0.000 0.945 507 V CB 1.893 33.318 31.823 -0.663 0.000 0.993 507 V HN 0.449 nan 8.190 nan 0.000 0.464 508 V N 6.830 126.580 119.914 -0.273 0.000 2.604 508 V HA 0.875 4.995 4.120 0.000 0.000 0.305 508 V C 0.388 176.511 176.094 0.048 0.000 1.043 508 V CA -0.075 62.147 62.300 -0.130 0.000 0.888 508 V CB 1.669 33.400 31.823 -0.153 0.000 0.995 508 V HN 1.491 nan 8.190 nan 0.000 0.429 509 A N 7.250 130.116 122.820 0.076 0.000 2.454 509 A HA 0.552 4.872 4.320 0.000 0.000 0.260 509 A C -1.659 175.987 177.584 0.102 0.000 1.106 509 A CA -0.965 51.118 52.037 0.077 0.000 0.780 509 A CB 0.262 19.282 19.000 0.034 0.000 1.044 509 A HN 0.809 nan 8.150 nan 0.000 0.498 510 P HA -0.121 nan 4.420 nan 0.000 0.218 510 P C 1.590 178.912 177.300 0.037 0.000 1.148 510 P CA 1.704 64.855 63.100 0.086 0.000 0.822 510 P CB 0.203 31.829 31.700 -0.123 0.000 0.784 511 G N -0.757 108.063 108.800 0.033 0.000 2.586 511 G HA2 -0.180 3.780 3.960 0.000 0.000 0.215 511 G HA3 -0.180 3.780 3.960 0.000 0.000 0.215 511 G C 1.281 176.219 174.900 0.064 0.000 1.128 511 G CA 0.254 45.389 45.100 0.060 0.000 0.774 511 G HN 0.263 nan 8.290 nan 0.000 0.543 512 L N -0.364 120.888 121.223 0.049 0.000 2.240 512 L HA 0.112 4.452 4.340 0.000 0.000 0.211 512 L C 0.591 177.503 176.870 0.069 0.000 1.106 512 L CA 0.402 55.284 54.840 0.070 0.000 0.793 512 L CB 0.341 42.423 42.059 0.038 0.000 0.927 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 V N -0.888 119.030 119.914 0.006 0.000 2.502 513 V HA 0.225 4.345 4.120 0.000 0.000 0.261 513 V C -0.506 175.493 176.094 -0.158 0.000 0.996 513 V CA -0.605 61.667 62.300 -0.046 0.000 1.095 513 V CB 0.800 32.593 31.823 -0.050 0.000 1.325 513 V HN 0.068 nan 8.190 nan 0.000 0.574 514 D N 0.582 120.813 120.400 -0.282 0.000 2.387 514 D HA 0.155 4.795 4.640 0.000 0.000 0.251 514 D C 1.437 177.425 176.300 -0.519 0.000 1.141 514 D CA -0.100 53.612 54.000 -0.480 0.000 0.987 514 D CB 2.271 42.587 40.800 -0.806 0.000 1.116 514 D HN 0.559 nan 8.370 nan 0.000 0.491 515 C N 0.532 119.591 119.300 -0.401 0.000 2.421 515 C HA -0.100 4.360 4.460 0.000 0.000 0.296 515 C C 1.658 176.712 174.990 0.106 0.000 1.470 515 C CA -0.101 58.842 59.018 -0.125 0.000 1.779 515 C CB -2.315 25.513 27.740 0.146 0.000 1.715 515 C HN 0.566 nan 8.230 nan 0.000 0.564 516 Y N -1.358 119.029 120.300 0.145 0.000 2.555 516 Y HA 0.618 5.168 4.550 0.000 0.000 0.259 516 Y C 0.557 176.513 175.900 0.094 0.000 1.179 516 Y CA -2.388 55.783 58.100 0.119 0.000 1.230 516 Y CB -1.141 37.362 38.460 0.073 0.000 1.146 516 Y HN 0.151 nan 8.280 nan 0.000 0.526 517 I N 3.020 123.638 120.570 0.080 0.000 2.517 517 I HA 0.105 4.275 4.170 0.000 0.000 0.285 517 I C 0.372 176.578 176.117 0.148 0.000 1.106 517 I CA 0.157 61.532 61.300 0.124 0.000 1.402 517 I CB -0.151 37.879 38.000 0.050 0.000 1.399 517 I HN 0.426 nan 8.210 nan 0.000 0.535 518 N N 5.587 124.356 118.700 0.115 0.000 2.698 518 N HA -0.236 4.504 4.740 0.000 0.000 0.258 518 N C -0.322 175.237 175.510 0.082 0.000 0.978 518 N CA 0.561 53.646 53.050 0.058 0.000 0.777 518 N CB -0.867 37.656 38.487 0.061 0.000 0.907 518 N HN 0.592 nan 8.380 nan 0.000 0.543 519 L N 0.077 121.356 121.223 0.093 0.000 2.540 519 L HA 0.031 4.371 4.340 0.000 0.000 0.276 519 L C 1.661 178.565 176.870 0.055 0.000 1.212 519 L CA 1.219 56.118 54.840 0.099 0.000 0.893 519 L CB 0.174 42.292 42.059 0.099 0.000 1.138 519 L HN 0.623 nan 8.230 nan 0.000 0.491 520 G N 2.498 111.335 108.800 0.062 0.000 2.148 520 G HA2 -0.207 3.753 3.960 0.000 0.000 0.254 520 G HA3 -0.207 3.753 3.960 0.000 0.000 0.254 520 G C 0.096 175.024 174.900 0.046 0.000 0.981 520 G CA 0.112 45.239 45.100 0.045 0.000 0.670 520 G HN 1.015 nan 8.290 nan 0.000 0.528 521 A N -0.721 122.139 122.820 0.067 0.000 2.354 521 A HA 0.910 5.230 4.320 0.000 0.000 0.321 521 A C 0.190 177.860 177.584 0.143 0.000 1.125 521 A CA -0.180 51.907 52.037 0.083 0.000 0.799 521 A CB 1.133 20.159 19.000 0.042 0.000 1.293 521 A HN 0.763 nan 8.150 nan 0.000 0.452 522 R N 1.472 122.073 120.500 0.168 0.000 2.287 522 R HA 0.370 4.710 4.340 0.000 0.000 0.316 522 R C -1.627 174.844 176.300 0.285 0.000 1.050 522 R CA -0.197 56.005 56.100 0.171 0.000 0.983 522 R CB 0.533 30.898 30.300 0.108 0.000 1.140 522 R HN 0.767 nan 8.270 nan 0.000 0.528 523 W N 4.193 125.503 121.300 0.015 0.000 3.259 523 W HA 0.222 4.882 4.660 0.000 0.000 0.331 523 W C -1.276 175.239 176.519 -0.008 0.000 1.144 523 W CA -0.613 56.732 57.345 -0.000 0.000 1.227 523 W CB 2.144 31.609 29.460 0.008 0.000 1.371 523 W HN 0.585 nan 8.180 nan 0.000 0.491 524 S N 4.832 120.262 115.700 -0.450 0.000 2.537 524 S HA 0.510 4.980 4.470 0.000 0.000 0.275 524 S C -0.123 174.230 174.600 -0.412 0.000 1.272 524 S CA -0.670 57.315 58.200 -0.358 0.000 1.050 524 S CB 1.437 64.398 63.200 -0.399 0.000 0.961 524 S HN 0.429 nan 8.310 nan 0.000 0.496 525 L N 2.991 124.154 121.223 -0.100 0.000 2.499 525 L HA 0.060 4.400 4.340 0.000 0.000 0.273 525 L C 1.090 177.921 176.870 -0.066 0.000 1.195 525 L CA -0.371 54.487 54.840 0.030 0.000 0.882 525 L CB 0.095 42.223 42.059 0.116 0.000 1.133 525 L HN 0.738 nan 8.230 nan 0.000 0.483 526 D N 1.888 122.261 120.400 -0.046 0.000 2.190 526 D HA -0.217 4.423 4.640 0.000 0.000 0.200 526 D C 1.747 178.018 176.300 -0.050 0.000 0.992 526 D CA 1.702 55.643 54.000 -0.099 0.000 0.854 526 D CB 0.031 40.775 40.800 -0.093 0.000 0.936 526 D HN 0.510 nan 8.370 nan 0.000 0.462 527 Y N -0.176 120.153 120.300 0.048 0.000 2.293 527 Y HA -0.054 4.496 4.550 0.000 0.000 0.291 527 Y C 2.251 178.164 175.900 0.021 0.000 1.137 527 Y CA 0.674 58.799 58.100 0.042 0.000 1.202 527 Y CB -0.194 38.293 38.460 0.044 0.000 0.990 527 Y HN -0.021 nan 8.280 nan 0.000 0.537 528 M N -0.824 118.860 119.600 0.139 0.000 2.509 528 M HA -0.022 4.458 4.480 0.000 0.000 0.250 528 M C 1.014 177.307 176.300 -0.011 0.000 1.132 528 M CA 0.543 55.868 55.300 0.043 0.000 1.080 528 M CB -0.622 31.965 32.600 -0.021 0.000 1.408 528 M HN 0.137 nan 8.290 nan 0.000 0.484 529 D N 1.682 122.060 120.400 -0.036 0.000 2.133 529 D HA -0.148 4.492 4.640 0.000 0.000 0.195 529 D C 1.078 177.478 176.300 0.168 0.000 0.997 529 D CA 1.233 55.183 54.000 -0.085 0.000 0.840 529 D CB -0.190 40.510 40.800 -0.166 0.000 0.947 529 D HN 0.304 nan 8.370 nan 0.000 0.452 530 N N -0.153 118.692 118.700 0.241 0.000 2.313 530 N HA 0.044 4.784 4.740 0.000 0.000 0.207 530 N C -0.579 175.145 175.510 0.357 0.000 1.141 530 N CA 0.003 53.258 53.050 0.342 0.000 0.830 530 N CB 0.941 39.563 38.487 0.226 0.000 1.008 530 N HN -0.003 nan 8.380 nan 0.000 0.481 531 V N 1.541 121.575 119.914 0.201 0.000 2.439 531 V HA 0.137 4.257 4.120 0.000 0.000 0.282 531 V C 0.577 176.553 176.094 -0.196 0.000 1.039 531 V CA -1.173 61.177 62.300 0.083 0.000 0.913 531 V CB 1.431 33.279 31.823 0.042 0.000 0.983 531 V HN 0.194 nan 8.190 nan 0.000 0.460 532 N N 7.816 126.291 118.700 -0.374 0.000 2.386 532 N HA 0.006 4.746 4.740 0.000 0.000 0.273 532 N C -1.157 174.076 175.510 -0.462 0.000 1.331 532 N CA -1.047 51.470 53.050 -0.889 0.000 0.891 532 N CB 1.302 39.636 38.487 -0.255 0.000 1.139 532 N HN 0.406 nan 8.380 nan 0.000 0.487 533 P HA -0.063 nan 4.420 nan 0.000 0.229 533 P C 0.845 177.846 177.300 -0.498 0.000 1.160 533 P CA 0.910 63.627 63.100 -0.639 0.000 0.777 533 P CB 0.016 31.076 31.700 -1.067 0.000 0.814 534 F N 0.207 120.133 119.950 -0.040 0.000 2.512 534 F HA 0.072 4.599 4.527 0.000 0.000 0.296 534 F C 1.193 177.044 175.800 0.084 0.000 1.110 534 F CA 0.289 58.338 58.000 0.081 0.000 1.446 534 F CB -0.995 38.070 39.000 0.109 0.000 1.092 534 F HN -0.154 nan 8.300 nan 0.000 0.554 535 N N 1.245 120.071 118.700 0.210 0.000 2.895 535 N HA -0.010 4.730 4.740 0.000 0.000 0.277 535 N C -0.659 174.978 175.510 0.212 0.000 1.185 535 N CA 0.376 53.554 53.050 0.213 0.000 1.106 535 N CB -0.575 38.044 38.487 0.219 0.000 1.422 535 N HN 0.278 nan 8.380 nan 0.000 0.521 536 H N 0.589 119.687 119.070 0.048 0.000 3.012 536 H HA 0.063 4.619 4.556 0.000 0.000 0.367 536 H C 0.826 176.197 175.328 0.071 0.000 1.211 536 H CA -0.392 55.581 56.048 -0.125 0.000 1.139 536 H CB 1.250 30.739 29.762 -0.455 0.000 1.838 536 H HN 0.451 nan 8.280 nan 0.000 0.550 537 H N 2.585 121.696 119.070 0.068 0.000 2.559 537 H HA 0.082 4.638 4.556 0.000 0.000 0.273 537 H C 0.366 175.889 175.328 0.325 0.000 1.000 537 H CA 0.335 56.574 56.048 0.317 0.000 1.195 537 H CB 0.265 30.196 29.762 0.282 0.000 1.368 537 H HN 0.358 nan 8.280 nan 0.000 0.592 538 R N 1.087 121.614 120.500 0.045 0.000 2.466 538 R HA 0.076 4.416 4.340 0.000 0.000 0.279 538 R C -0.007 176.290 176.300 -0.004 0.000 0.976 538 R CA -0.174 55.903 56.100 -0.039 0.000 1.081 538 R CB -0.064 30.127 30.300 -0.182 0.000 1.215 538 R HN 0.385 nan 8.270 nan 0.000 0.546 539 N N 0.705 119.437 118.700 0.053 0.000 2.415 539 N HA 0.061 4.801 4.740 0.000 0.000 0.250 539 N C 1.028 176.558 175.510 0.033 0.000 1.127 539 N CA -0.241 52.851 53.050 0.070 0.000 0.945 539 N CB 1.034 39.604 38.487 0.139 0.000 1.196 539 N HN 0.083 nan 8.380 nan 0.000 0.499 540 A N 3.667 126.516 122.820 0.049 0.000 1.908 540 A HA -0.129 4.191 4.320 0.000 0.000 0.218 540 A C 2.028 179.660 177.584 0.079 0.000 1.181 540 A CA 1.865 53.951 52.037 0.082 0.000 0.627 540 A CB -1.092 17.990 19.000 0.137 0.000 0.818 540 A HN 0.783 nan 8.150 nan 0.000 0.445 541 G N -0.116 108.714 108.800 0.050 0.000 2.459 541 G HA2 -0.170 3.790 3.960 0.000 0.000 0.217 541 G HA3 -0.170 3.790 3.960 0.000 0.000 0.217 541 G C 1.494 176.348 174.900 -0.077 0.000 1.183 541 G CA 1.280 46.315 45.100 -0.109 0.000 0.776 541 G HN 0.586 nan 8.290 nan 0.000 0.552 542 L N 0.715 121.928 121.223 -0.016 0.000 2.046 542 L HA 0.076 4.416 4.340 0.000 0.000 0.208 542 L C 2.675 179.498 176.870 -0.079 0.000 1.077 542 L CA 2.281 57.116 54.840 -0.009 0.000 0.747 542 L CB -0.763 41.328 42.059 0.053 0.000 0.896 542 L HN 0.261 nan 8.230 nan 0.000 0.432 543 R N -1.852 118.526 120.500 -0.203 0.000 2.091 543 R HA -0.269 4.071 4.340 0.000 0.000 0.238 543 R C 2.421 178.621 176.300 -0.168 0.000 1.136 543 R CA 2.053 57.868 56.100 -0.476 0.000 0.959 543 R CB -0.662 29.328 30.300 -0.517 0.000 0.856 543 R HN 0.576 nan 8.270 nan 0.000 0.437 544 Y N 0.670 120.872 120.300 -0.164 0.000 2.163 544 Y HA -0.168 4.382 4.550 0.000 0.000 0.288 544 Y C 2.139 177.982 175.900 -0.094 0.000 1.136 544 Y CA 1.765 59.801 58.100 -0.106 0.000 1.147 544 Y CB -0.019 38.331 38.460 -0.183 0.000 0.987 544 Y HN -0.039 nan 8.280 nan 0.000 0.509 545 R N -0.524 119.942 120.500 -0.057 0.000 2.148 545 R HA -0.133 4.207 4.340 0.000 0.000 0.227 545 R C 2.747 179.007 176.300 -0.066 0.000 1.103 545 R CA 1.209 57.254 56.100 -0.092 0.000 0.983 545 R CB -0.440 29.841 30.300 -0.031 0.000 0.874 545 R HN 0.298 nan 8.270 nan 0.000 0.451 546 S N 0.161 115.852 115.700 -0.015 0.000 2.357 546 S HA -0.084 4.386 4.470 0.000 0.000 0.221 546 S C 1.805 176.459 174.600 0.090 0.000 1.031 546 S CA 1.036 59.293 58.200 0.094 0.000 0.982 546 S CB 0.054 63.433 63.200 0.299 0.000 0.853 546 S HN 0.215 nan 8.310 nan 0.000 0.458 547 M N 0.493 120.107 119.600 0.023 0.000 2.492 547 M HA 0.073 4.553 4.480 0.000 0.000 0.262 547 M C 1.730 177.977 176.300 -0.088 0.000 1.090 547 M CA 0.397 55.705 55.300 0.015 0.000 1.110 547 M CB -0.195 32.409 32.600 0.007 0.000 1.407 547 M HN 0.284 nan 8.290 nan 0.000 0.470 548 L N 0.396 121.494 121.223 -0.208 0.000 2.141 548 L HA -0.094 4.246 4.340 0.000 0.000 0.209 548 L C 1.927 178.768 176.870 -0.049 0.000 1.094 548 L CA 1.736 56.444 54.840 -0.220 0.000 0.763 548 L CB -0.379 41.494 42.059 -0.311 0.000 0.908 548 L HN 0.284 nan 8.230 nan 0.000 0.437 549 L N -1.887 119.336 121.223 0.001 0.000 2.209 549 L HA 0.305 4.645 4.340 0.000 0.000 0.207 549 L C 1.093 177.994 176.870 0.051 0.000 1.094 549 L CA 0.455 55.327 54.840 0.054 0.000 0.790 549 L CB -0.325 41.748 42.059 0.023 0.000 0.932 549 L HN 0.409 nan 8.230 nan 0.000 0.447 550 G N -0.053 108.780 108.800 0.055 0.000 2.346 550 G HA2 -0.157 3.803 3.960 0.000 0.000 0.294 550 G HA3 -0.157 3.803 3.960 0.000 0.000 0.294 550 G C -0.629 174.371 174.900 0.166 0.000 1.294 550 G CA -0.045 45.108 45.100 0.087 0.000 0.962 550 G HN 0.073 nan 8.290 nan 0.000 0.508 551 N N -0.043 118.768 118.700 0.186 0.000 2.187 551 N HA 0.339 5.079 4.740 0.000 0.000 0.212 551 N C 0.716 176.429 175.510 0.338 0.000 1.152 551 N CA 0.762 53.974 53.050 0.270 0.000 0.872 551 N CB 1.152 39.734 38.487 0.159 0.000 1.025 551 N HN 1.070 nan 8.380 nan 0.000 0.514 552 G N 0.195 109.155 108.800 0.266 0.000 2.489 552 G HA2 0.326 4.286 3.960 0.000 0.000 0.327 552 G HA3 0.326 4.286 3.960 0.000 0.000 0.327 552 G C 0.420 175.371 174.900 0.086 0.000 1.189 552 G CA -0.789 44.436 45.100 0.209 0.000 0.962 552 G HN 0.137 nan 8.290 nan 0.000 0.486 553 R N -0.768 119.709 120.500 -0.038 0.000 2.075 553 R HA -0.008 4.332 4.340 0.000 0.000 0.232 553 R C -0.253 175.779 176.300 -0.446 0.000 1.126 553 R CA 0.829 56.729 56.100 -0.333 0.000 0.963 553 R CB -0.240 29.740 30.300 -0.534 0.000 0.858 553 R HN 0.457 nan 8.270 nan 0.000 0.435 554 Y N 0.634 120.927 120.300 -0.013 0.000 2.383 554 Y HA 0.366 4.916 4.550 0.000 0.000 0.344 554 Y C -0.591 175.309 175.900 -0.001 0.000 0.986 554 Y CA -0.777 57.316 58.100 -0.013 0.000 1.175 554 Y CB 1.732 40.195 38.460 0.005 0.000 1.152 554 Y HN -0.243 nan 8.280 nan 0.000 0.511 555 V N 6.125 126.125 119.914 0.143 0.000 2.524 555 V HA 0.384 4.504 4.120 0.000 0.000 0.297 555 V C -2.496 173.708 176.094 0.184 0.000 1.035 555 V CA -2.014 60.366 62.300 0.134 0.000 0.867 555 V CB 2.268 34.142 31.823 0.085 0.000 1.004 555 V HN 0.544 nan 8.190 nan 0.000 0.426 556 P HA 0.370 nan 4.420 nan 0.000 0.292 556 P C -0.929 176.436 177.300 0.108 0.000 1.326 556 P CA -0.172 62.953 63.100 0.042 0.000 0.787 556 P CB 0.665 32.366 31.700 0.001 0.000 0.903 557 F N 1.198 121.224 119.950 0.127 0.000 2.440 557 F HA 0.650 5.177 4.527 0.000 0.000 0.328 557 F C -0.377 175.531 175.800 0.181 0.000 1.070 557 F CA -1.163 56.944 58.000 0.177 0.000 1.011 557 F CB 1.426 40.601 39.000 0.292 0.000 1.226 557 F HN 0.403 nan 8.300 nan 0.000 0.491 558 H N 3.875 123.087 119.070 0.237 0.000 3.181 558 H HA 0.581 5.137 4.556 0.000 0.000 0.331 558 H C -1.479 173.914 175.328 0.108 0.000 0.988 558 H CA -0.914 55.192 56.048 0.098 0.000 1.449 558 H CB 1.422 31.199 29.762 0.026 0.000 1.749 558 H HN 0.894 nan 8.280 nan 0.000 0.501 559 I N 0.952 121.642 120.570 0.200 0.000 3.145 559 I HA 0.534 4.704 4.170 0.000 0.000 0.313 559 I C -1.556 174.476 176.117 -0.141 0.000 1.122 559 I CA -1.273 59.972 61.300 -0.090 0.000 0.987 559 I CB 2.679 40.462 38.000 -0.362 0.000 1.236 559 I HN 0.389 nan 8.210 nan 0.000 0.453 560 Q N 2.384 122.062 119.800 -0.204 0.000 2.333 560 Q HA 0.628 4.968 4.340 0.000 0.000 0.268 560 Q C -1.218 174.837 176.000 0.092 0.000 1.007 560 Q CA -0.546 55.191 55.803 -0.111 0.000 0.810 560 Q CB 2.536 30.942 28.738 -0.553 0.000 1.264 560 Q HN 0.548 nan 8.270 nan 0.000 0.452 561 V N 4.857 124.876 119.914 0.175 0.000 2.417 561 V HA 0.576 4.696 4.120 0.000 0.000 0.291 561 V C -2.137 174.075 176.094 0.197 0.000 1.024 561 V CA -1.831 60.574 62.300 0.175 0.000 0.861 561 V CB 1.558 33.431 31.823 0.084 0.000 0.985 561 V HN 0.710 nan 8.190 nan 0.000 0.436 562 P HA 0.269 nan 4.420 nan 0.000 0.279 562 P C -1.249 175.891 177.300 -0.265 0.000 1.252 562 P CA -0.616 62.251 63.100 -0.388 0.000 0.811 562 P CB 1.325 32.448 31.700 -0.962 0.000 1.035 563 Q N 1.370 120.999 119.800 -0.286 0.000 2.274 563 Q HA 0.187 4.527 4.340 0.000 0.000 0.256 563 Q C 0.316 176.174 176.000 -0.236 0.000 0.927 563 Q CA 0.452 56.117 55.803 -0.230 0.000 0.939 563 Q CB 0.870 29.474 28.738 -0.222 0.000 1.201 563 Q HN 0.296 nan 8.270 nan 0.000 0.426 564 K N 3.410 123.704 120.400 -0.176 0.000 2.380 564 K HA 0.152 4.472 4.320 0.000 0.000 0.198 564 K C -0.331 176.193 176.600 -0.127 0.000 1.070 564 K CA -0.268 55.816 56.287 -0.337 0.000 1.040 564 K CB 0.421 32.508 32.500 -0.688 0.000 0.903 564 K HN 0.478 nan 8.250 nan 0.000 0.549 565 F N 2.843 122.719 119.950 -0.124 0.000 2.590 565 F HA -0.078 4.449 4.527 0.000 0.000 0.389 565 F C 1.110 176.897 175.800 -0.022 0.000 1.049 565 F CA -1.124 56.888 58.000 0.020 0.000 1.199 565 F CB 0.198 39.342 39.000 0.239 0.000 1.058 565 F HN 0.057 nan 8.300 nan 0.000 0.556 566 F N 4.298 123.925 119.950 -0.538 0.000 2.161 566 F HA -0.115 4.412 4.527 0.000 0.000 0.300 566 F C 1.767 177.322 175.800 -0.408 0.000 1.089 566 F CA 1.331 59.101 58.000 -0.384 0.000 1.282 566 F CB -1.211 37.621 39.000 -0.280 0.000 1.010 566 F HN 0.391 nan 8.300 nan 0.000 0.485 567 A N 1.199 123.073 122.820 -1.576 0.000 2.067 567 A HA 0.036 4.356 4.320 0.000 0.000 0.219 567 A C 2.103 179.382 177.584 -0.510 0.000 1.158 567 A CA 1.637 53.109 52.037 -0.942 0.000 0.661 567 A CB -1.115 17.458 19.000 -0.712 0.000 0.801 567 A HN 0.795 nan 8.150 nan 0.000 0.452 568 I N -4.737 115.621 120.570 -0.354 0.000 4.526 568 I HA 0.216 4.386 4.170 0.000 0.000 0.330 568 I C 1.621 177.538 176.117 -0.332 0.000 1.323 568 I CA 0.547 61.670 61.300 -0.295 0.000 1.218 568 I CB 0.001 37.956 38.000 -0.075 0.000 1.233 568 I HN 0.140 nan 8.210 nan 0.000 0.430 569 K N 1.976 122.196 120.400 -0.300 0.000 2.152 569 K HA -0.080 4.240 4.320 0.000 0.000 0.206 569 K C 0.563 177.021 176.600 -0.236 0.000 1.048 569 K CA 1.925 58.078 56.287 -0.223 0.000 0.933 569 K CB -0.176 32.245 32.500 -0.132 0.000 0.721 569 K HN 0.410 nan 8.250 nan 0.000 0.447 570 N N 0.809 119.288 118.700 -0.370 0.000 2.238 570 N HA 0.070 4.810 4.740 0.000 0.000 0.235 570 N C -0.630 174.748 175.510 -0.220 0.000 1.209 570 N CA -0.315 52.605 53.050 -0.218 0.000 0.879 570 N CB 0.573 39.030 38.487 -0.048 0.000 1.136 570 N HN 0.115 nan 8.380 nan 0.000 0.517 571 L N 1.622 122.612 121.223 -0.389 0.000 2.453 571 L HA 0.201 4.541 4.340 0.000 0.000 0.272 571 L C -0.202 176.622 176.870 -0.077 0.000 1.182 571 L CA -0.223 54.504 54.840 -0.188 0.000 0.858 571 L CB 0.512 42.411 42.059 -0.266 0.000 1.120 571 L HN -0.023 nan 8.230 nan 0.000 0.474 572 L N 5.875 127.112 121.223 0.024 0.000 2.259 572 L HA 0.422 4.762 4.340 0.000 0.000 0.288 572 L C -0.838 176.005 176.870 -0.046 0.000 1.051 572 L CA 0.087 54.919 54.840 -0.013 0.000 0.824 572 L CB 0.610 42.684 42.059 0.026 0.000 1.206 572 L HN 0.592 nan 8.230 nan 0.000 0.429 573 L N 5.718 126.875 121.223 -0.111 0.000 2.290 573 L HA 0.391 4.731 4.340 0.000 0.000 0.284 573 L C -0.057 176.799 176.870 -0.023 0.000 1.078 573 L CA 0.224 54.968 54.840 -0.160 0.000 0.815 573 L CB 1.004 42.857 42.059 -0.343 0.000 1.162 573 L HN 0.557 nan 8.230 nan 0.000 0.435 574 L N 4.532 125.780 121.223 0.042 0.000 2.469 574 L HA 0.452 4.792 4.340 0.000 0.000 0.253 574 L C -2.007 175.001 176.870 0.229 0.000 1.143 574 L CA -2.105 52.807 54.840 0.121 0.000 0.804 574 L CB 0.101 42.215 42.059 0.093 0.000 1.214 574 L HN 0.367 nan 8.230 nan 0.000 0.476 575 P HA 0.154 nan 4.420 nan 0.000 0.265 575 P C -0.171 177.217 177.300 0.148 0.000 1.187 575 P CA 0.481 63.680 63.100 0.165 0.000 0.766 575 P CB 0.515 32.267 31.700 0.087 0.000 0.820 576 G N 0.634 109.477 108.800 0.072 0.000 2.368 576 G HA2 0.242 4.202 3.960 0.000 0.000 0.302 576 G HA3 0.242 4.202 3.960 0.000 0.000 0.302 576 G C -1.452 173.239 174.900 -0.349 0.000 1.329 576 G CA -0.607 44.376 45.100 -0.196 0.000 0.935 576 G HN 0.340 nan 8.290 nan 0.000 0.590 577 S N -0.226 115.152 115.700 -0.536 0.000 2.454 577 S HA 0.804 5.274 4.470 0.000 0.000 0.306 577 S C -1.300 172.945 174.600 -0.592 0.000 1.100 577 S CA -0.346 57.638 58.200 -0.360 0.000 1.087 577 S CB 0.831 63.942 63.200 -0.148 0.000 1.019 577 S HN 0.491 nan 8.310 nan 0.000 0.480 578 Y N 0.341 120.648 120.300 0.011 0.000 2.499 578 Y HA 0.500 5.050 4.550 0.000 0.000 0.347 578 Y C 0.632 176.565 175.900 0.056 0.000 0.987 578 Y CA -1.000 57.112 58.100 0.021 0.000 1.044 578 Y CB 1.454 39.908 38.460 -0.011 0.000 1.245 578 Y HN 0.441 nan 8.280 nan 0.000 0.461 579 T N 2.651 117.345 114.554 0.235 0.000 2.743 579 T HA 0.295 4.645 4.350 0.000 0.000 0.293 579 T C -1.510 173.394 174.700 0.341 0.000 0.945 579 T CA -0.200 62.033 62.100 0.222 0.000 1.030 579 T CB -0.295 68.660 68.868 0.145 0.000 0.912 579 T HN 0.635 nan 8.240 nan 0.000 0.483 580 Y N 4.442 124.875 120.300 0.221 0.000 2.345 580 Y HA 0.498 5.048 4.550 0.000 0.000 0.331 580 Y C -0.200 175.946 175.900 0.410 0.000 0.959 580 Y CA -0.898 57.379 58.100 0.296 0.000 1.204 580 Y CB 0.803 39.408 38.460 0.242 0.000 1.135 580 Y HN 0.689 nan 8.280 nan 0.000 0.477 581 E N 6.695 127.116 120.200 0.367 0.000 2.293 581 E HA 0.251 4.601 4.350 0.000 0.000 0.270 581 E C -1.988 174.686 176.600 0.124 0.000 0.879 581 E CA -0.607 55.900 56.400 0.178 0.000 0.756 581 E CB 1.852 31.583 29.700 0.052 0.000 1.208 581 E HN 0.724 nan 8.360 nan 0.000 0.428 582 W N 2.664 123.859 121.300 -0.176 0.000 3.118 582 W HA 0.398 5.058 4.660 0.000 0.000 0.328 582 W C -1.197 175.119 176.519 -0.338 0.000 1.239 582 W CA -0.622 56.519 57.345 -0.340 0.000 1.176 582 W CB 2.210 31.320 29.460 -0.583 0.000 1.433 582 W HN 0.526 nan 8.180 nan 0.000 0.562 583 N N 2.035 120.492 118.700 -0.405 0.000 2.361 583 N HA 0.503 5.243 4.740 0.000 0.000 0.302 583 N C -1.536 173.916 175.510 -0.097 0.000 1.074 583 N CA -0.244 52.729 53.050 -0.129 0.000 0.850 583 N CB 1.782 40.130 38.487 -0.231 0.000 1.228 583 N HN 0.041 nan 8.380 nan 0.000 0.491 584 F N 0.505 120.637 119.950 0.303 0.000 2.532 584 F HA 0.470 4.997 4.527 0.000 0.000 0.321 584 F C 0.983 177.003 175.800 0.366 0.000 1.089 584 F CA -0.873 57.257 58.000 0.218 0.000 0.926 584 F CB 1.461 40.425 39.000 -0.060 0.000 1.168 584 F HN 0.037 nan 8.300 nan 0.000 0.459 585 R N 1.598 122.291 120.500 0.322 0.000 2.531 585 R HA 0.367 4.707 4.340 0.000 0.000 0.273 585 R C 0.355 176.938 176.300 0.471 0.000 1.070 585 R CA -0.501 55.770 56.100 0.286 0.000 1.112 585 R CB 1.152 31.427 30.300 -0.042 0.000 1.049 585 R HN 0.701 nan 8.270 nan 0.000 0.508 586 K N 0.435 121.081 120.400 0.409 0.000 2.402 586 K HA 0.020 4.340 4.320 0.000 0.000 0.203 586 K C -0.337 176.390 176.600 0.211 0.000 1.077 586 K CA -0.106 56.346 56.287 0.274 0.000 1.051 586 K CB 0.513 33.150 32.500 0.228 0.000 0.907 586 K HN 0.475 nan 8.250 nan 0.000 0.554 587 D N 2.094 122.661 120.400 0.278 0.000 2.363 587 D HA -0.044 4.596 4.640 0.000 0.000 0.263 587 D C 1.375 177.775 176.300 0.167 0.000 1.258 587 D CA -0.081 54.081 54.000 0.270 0.000 0.907 587 D CB 1.223 42.204 40.800 0.301 0.000 1.107 587 D HN -0.046 nan 8.370 nan 0.000 0.495 588 V N 2.302 122.285 119.914 0.115 0.000 2.568 588 V HA -0.210 3.910 4.120 0.000 0.000 0.253 588 V C 1.584 177.707 176.094 0.048 0.000 1.072 588 V CA 1.354 63.681 62.300 0.046 0.000 1.084 588 V CB -0.601 31.218 31.823 -0.006 0.000 0.676 588 V HN 0.395 nan 8.190 nan 0.000 0.469 589 N N -0.300 118.454 118.700 0.090 0.000 2.512 589 N HA 0.064 4.804 4.740 0.000 0.000 0.183 589 N C 1.526 177.169 175.510 0.222 0.000 1.073 589 N CA 1.293 54.404 53.050 0.101 0.000 0.911 589 N CB -0.032 38.514 38.487 0.098 0.000 0.964 589 N HN 0.458 nan 8.380 nan 0.000 0.447 590 M N -0.626 119.086 119.600 0.187 0.000 2.718 590 M HA 0.096 4.576 4.480 0.000 0.000 0.259 590 M C 2.054 178.441 176.300 0.146 0.000 1.240 590 M CA 0.646 56.040 55.300 0.157 0.000 1.210 590 M CB -0.815 31.831 32.600 0.077 0.000 1.281 590 M HN 0.005 nan 8.290 nan 0.000 0.515 591 V N -1.492 118.516 119.914 0.158 0.000 2.951 591 V HA 0.159 4.279 4.120 0.000 0.000 0.255 591 V C 1.046 177.253 176.094 0.188 0.000 1.088 591 V CA 0.455 62.894 62.300 0.232 0.000 1.109 591 V CB -0.499 31.509 31.823 0.309 0.000 0.724 591 V HN 0.188 nan 8.190 nan 0.000 0.471 592 L N 0.853 122.101 121.223 0.042 0.000 2.334 592 L HA 0.641 4.981 4.340 0.000 0.000 0.270 592 L C -0.378 176.470 176.870 -0.038 0.000 1.018 592 L CA -0.395 54.397 54.840 -0.081 0.000 0.811 592 L CB 1.780 43.729 42.059 -0.182 0.000 1.271 592 L HN 0.267 nan 8.230 nan 0.000 0.443 593 Q N 1.067 120.832 119.800 -0.057 0.000 2.331 593 Q HA 0.525 4.865 4.340 0.000 0.000 0.272 593 Q C -1.474 174.510 176.000 -0.026 0.000 1.062 593 Q CA -0.538 55.244 55.803 -0.035 0.000 0.806 593 Q CB 2.585 31.331 28.738 0.013 0.000 1.312 593 Q HN 0.771 nan 8.270 nan 0.000 0.431 594 S N 0.601 116.280 115.700 -0.036 0.000 2.600 594 S HA 0.403 4.873 4.470 0.000 0.000 0.300 594 S C 0.566 175.206 174.600 0.066 0.000 1.087 594 S CA -0.079 58.133 58.200 0.020 0.000 0.965 594 S CB 1.701 64.888 63.200 -0.022 0.000 1.089 594 S HN 0.719 nan 8.310 nan 0.000 0.496 595 S N 0.966 116.756 115.700 0.150 0.000 2.436 595 S HA 0.010 4.480 4.470 0.000 0.000 0.228 595 S C 1.360 176.069 174.600 0.182 0.000 1.014 595 S CA 0.247 58.569 58.200 0.204 0.000 0.950 595 S CB -0.541 62.852 63.200 0.322 0.000 0.784 595 S HN 0.495 nan 8.310 nan 0.000 0.504 596 L N 1.513 122.809 121.223 0.121 0.000 2.375 596 L HA 0.390 4.730 4.340 0.000 0.000 0.215 596 L C 1.934 178.840 176.870 0.059 0.000 1.108 596 L CA 1.159 56.055 54.840 0.092 0.000 0.830 596 L CB -1.282 40.818 42.059 0.067 0.000 0.959 596 L HN 0.590 nan 8.230 nan 0.000 0.457 597 G N 0.138 108.927 108.800 -0.018 0.000 2.143 597 G HA2 -0.307 3.653 3.960 0.000 0.000 0.248 597 G HA3 -0.307 3.653 3.960 0.000 0.000 0.248 597 G C 0.391 175.213 174.900 -0.130 0.000 0.991 597 G CA 0.462 45.457 45.100 -0.176 0.000 0.689 597 G HN 0.553 nan 8.290 nan 0.000 0.522 598 N N 0.501 119.176 118.700 -0.042 0.000 2.371 598 N HA 0.241 4.981 4.740 0.000 0.000 0.243 598 N C -0.382 175.091 175.510 -0.063 0.000 1.287 598 N CA -0.054 52.990 53.050 -0.011 0.000 0.911 598 N CB 0.607 39.129 38.487 0.059 0.000 1.142 598 N HN 0.115 nan 8.380 nan 0.000 0.451 599 D N 0.574 120.950 120.400 -0.041 0.000 2.348 599 D HA 0.070 4.710 4.640 0.000 0.000 0.259 599 D C 1.035 177.309 176.300 -0.042 0.000 1.296 599 D CA -0.206 53.759 54.000 -0.058 0.000 0.931 599 D CB 0.020 40.799 40.800 -0.036 0.000 1.067 599 D HN 0.481 nan 8.370 nan 0.000 0.503 600 L N 3.731 124.918 121.223 -0.059 0.000 2.362 600 L HA -0.065 4.275 4.340 0.000 0.000 0.219 600 L C 2.403 179.261 176.870 -0.021 0.000 1.134 600 L CA 0.448 55.259 54.840 -0.048 0.000 0.807 600 L CB -0.113 41.906 42.059 -0.066 0.000 0.927 600 L HN 0.303 nan 8.230 nan 0.000 0.447 601 R N -0.618 119.881 120.500 -0.001 0.000 2.090 601 R HA -0.057 4.283 4.340 0.000 0.000 0.228 601 R C 2.176 178.490 176.300 0.022 0.000 1.110 601 R CA 0.972 57.091 56.100 0.031 0.000 0.973 601 R CB -0.448 29.891 30.300 0.064 0.000 0.869 601 R HN 0.203 nan 8.270 nan 0.000 0.440 602 V N 1.560 121.481 119.914 0.012 0.000 2.535 602 V HA -0.108 4.012 4.120 0.000 0.000 0.246 602 V C 0.807 176.905 176.094 0.006 0.000 1.045 602 V CA 1.460 63.767 62.300 0.012 0.000 1.058 602 V CB -0.196 31.632 31.823 0.009 0.000 0.689 602 V HN 0.165 nan 8.190 nan 0.000 0.461 603 D N 0.511 120.909 120.400 -0.003 0.000 2.519 603 D HA 0.228 4.868 4.640 0.000 0.000 0.238 603 D C 1.615 177.896 176.300 -0.031 0.000 1.192 603 D CA 0.876 54.868 54.000 -0.013 0.000 0.835 603 D CB -0.085 40.706 40.800 -0.015 0.000 0.975 603 D HN 0.457 nan 8.370 nan 0.000 0.490 604 G N 0.609 109.399 108.800 -0.017 0.000 2.166 604 G HA2 -0.294 3.666 3.960 0.000 0.000 0.260 604 G HA3 -0.294 3.666 3.960 0.000 0.000 0.260 604 G C 0.644 175.523 174.900 -0.033 0.000 0.986 604 G CA 0.304 45.393 45.100 -0.018 0.000 0.683 604 G HN 0.617 nan 8.290 nan 0.000 0.527 605 A N -0.547 122.244 122.820 -0.049 0.000 2.462 605 A HA 0.743 5.063 4.320 0.000 0.000 0.243 605 A C 0.657 178.212 177.584 -0.049 0.000 1.076 605 A CA 1.103 53.096 52.037 -0.074 0.000 0.773 605 A CB 0.902 19.846 19.000 -0.094 0.000 1.010 605 A HN 1.646 nan 8.150 nan 0.000 0.493 606 S N 0.920 116.587 115.700 -0.055 0.000 2.541 606 S HA 0.721 5.191 4.470 0.000 0.000 0.271 606 S C -1.145 173.426 174.600 -0.049 0.000 1.133 606 S CA -0.519 57.660 58.200 -0.034 0.000 0.876 606 S CB 0.917 64.115 63.200 -0.005 0.000 1.105 606 S HN 1.005 nan 8.310 nan 0.000 0.470 607 I N 2.839 123.368 120.570 -0.068 0.000 2.722 607 I HA 0.603 4.774 4.170 0.000 0.000 0.295 607 I C -1.564 174.435 176.117 -0.197 0.000 1.161 607 I CA -0.565 60.676 61.300 -0.099 0.000 1.032 607 I CB 1.891 39.794 38.000 -0.161 0.000 1.244 607 I HN 0.732 nan 8.210 nan 0.000 0.421 608 K N 6.668 126.965 120.400 -0.172 0.000 2.468 608 K HA 0.492 4.812 4.320 0.000 0.000 0.252 608 K C -1.992 174.464 176.600 -0.239 0.000 0.932 608 K CA -0.516 55.635 56.287 -0.228 0.000 0.794 608 K CB 1.577 34.024 32.500 -0.089 0.000 1.241 608 K HN 0.491 nan 8.250 nan 0.000 0.428 609 F N 3.782 123.671 119.950 -0.101 0.000 2.371 609 F HA 0.166 4.693 4.527 0.000 0.000 0.363 609 F C 0.941 176.567 175.800 -0.291 0.000 1.122 609 F CA -0.740 57.083 58.000 -0.296 0.000 1.129 609 F CB 1.262 39.822 39.000 -0.733 0.000 1.173 609 F HN 0.636 nan 8.300 nan 0.000 0.489 610 D N 0.991 121.356 120.400 -0.059 0.000 2.149 610 D HA -0.042 4.598 4.640 0.000 0.000 0.206 610 D C 0.738 177.018 176.300 -0.034 0.000 0.967 610 D CA 1.148 55.114 54.000 -0.057 0.000 0.848 610 D CB 0.298 41.037 40.800 -0.101 0.000 0.998 610 D HN 0.443 nan 8.370 nan 0.000 0.474 611 S N -0.656 114.999 115.700 -0.075 0.000 2.537 611 S HA 0.596 5.066 4.470 0.000 0.000 0.270 611 S C -1.024 173.545 174.600 -0.051 0.000 1.142 611 S CA -0.984 57.199 58.200 -0.028 0.000 0.870 611 S CB 2.181 65.371 63.200 -0.016 0.000 1.112 611 S HN 0.120 nan 8.310 nan 0.000 0.466 612 I N 1.827 122.413 120.570 0.028 0.000 2.534 612 I HA 0.700 4.870 4.170 0.000 0.000 0.288 612 I C -1.311 174.984 176.117 0.297 0.000 1.077 612 I CA -0.365 60.974 61.300 0.064 0.000 1.051 612 I CB 1.127 39.070 38.000 -0.094 0.000 1.234 612 I HN 0.967 nan 8.210 nan 0.000 0.425 613 C N 5.949 125.439 119.300 0.317 0.000 2.771 613 C HA 0.709 5.169 4.460 0.000 0.000 0.333 613 C C -0.668 174.427 174.990 0.175 0.000 1.267 613 C CA -0.641 58.574 59.018 0.328 0.000 1.721 613 C CB 1.768 29.624 27.740 0.194 0.000 2.222 613 C HN 0.668 nan 8.230 nan 0.000 0.485 614 L N 1.644 122.802 121.223 -0.109 0.000 2.333 614 L HA 0.621 4.961 4.340 0.000 0.000 0.280 614 L C -1.475 175.285 176.870 -0.182 0.000 1.004 614 L CA -0.037 54.633 54.840 -0.283 0.000 0.820 614 L CB 0.451 42.071 42.059 -0.732 0.000 1.247 614 L HN 0.664 nan 8.230 nan 0.000 0.416 615 Y N 3.577 123.691 120.300 -0.311 0.000 2.446 615 Y HA 0.829 5.379 4.550 0.000 0.000 0.338 615 Y C 0.132 175.848 175.900 -0.306 0.000 1.055 615 Y CA -0.329 57.562 58.100 -0.348 0.000 1.101 615 Y CB 2.299 40.338 38.460 -0.702 0.000 1.221 615 Y HN 0.777 nan 8.280 nan 0.000 0.460 616 A N 1.588 124.452 122.820 0.074 0.000 2.459 616 A HA 0.733 5.053 4.320 0.000 0.000 0.296 616 A C -1.135 176.505 177.584 0.094 0.000 1.039 616 A CA -0.694 51.356 52.037 0.021 0.000 0.698 616 A CB 1.114 20.181 19.000 0.112 0.000 1.261 616 A HN 0.586 nan 8.150 nan 0.000 0.405 617 T N 2.070 116.608 114.554 -0.027 0.000 2.823 617 T HA 0.676 5.026 4.350 0.000 0.000 0.279 617 T C -1.057 173.646 174.700 0.006 0.000 0.998 617 T CA 0.080 62.253 62.100 0.121 0.000 0.994 617 T CB 0.326 69.276 68.868 0.136 0.000 0.960 617 T HN 0.331 nan 8.240 nan 0.000 0.448 618 F N 1.936 121.954 119.950 0.114 0.000 2.482 618 F HA 0.508 5.035 4.527 0.000 0.000 0.331 618 F C 0.041 175.936 175.800 0.158 0.000 1.115 618 F CA -1.851 56.233 58.000 0.140 0.000 0.955 618 F CB 0.910 39.986 39.000 0.126 0.000 1.136 618 F HN 0.531 nan 8.300 nan 0.000 0.452 619 F N 6.327 126.406 119.950 0.216 0.000 2.578 619 F HA 0.243 4.770 4.527 0.000 0.000 0.376 619 F C -1.602 174.301 175.800 0.172 0.000 1.085 619 F CA -1.883 56.208 58.000 0.150 0.000 1.260 619 F CB 0.704 39.768 39.000 0.108 0.000 1.095 619 F HN 0.241 nan 8.300 nan 0.000 0.573 620 P HA 0.004 nan 4.420 nan 0.000 0.225 620 P C -0.266 177.039 177.300 0.009 0.000 1.768 620 P CA 0.004 63.053 63.100 -0.085 0.000 0.943 620 P CB -0.126 31.465 31.700 -0.181 0.000 1.936 621 M N 1.513 121.323 119.600 0.351 0.000 2.249 621 M HA 0.246 4.726 4.480 0.000 0.000 0.340 621 M C 0.308 176.768 176.300 0.266 0.000 1.166 621 M CA -0.117 55.457 55.300 0.457 0.000 1.115 621 M CB 0.641 33.526 32.600 0.475 0.000 1.606 621 M HN 0.162 nan 8.290 nan 0.000 0.448 622 A N 3.687 126.626 122.820 0.199 0.000 2.540 622 A HA -0.000 4.320 4.320 0.000 0.000 0.239 622 A C 0.535 178.245 177.584 0.210 0.000 1.061 622 A CA -0.141 51.959 52.037 0.106 0.000 0.758 622 A CB -0.069 18.989 19.000 0.095 0.000 0.991 622 A HN 1.013 nan 8.150 nan 0.000 0.502 623 H N 2.314 121.430 119.070 0.077 0.000 2.422 623 H HA -0.153 4.403 4.556 0.000 0.000 0.298 623 H C 2.032 177.397 175.328 0.062 0.000 1.098 623 H CA 2.025 58.112 56.048 0.066 0.000 1.315 623 H CB -0.109 29.683 29.762 0.050 0.000 1.382 623 H HN 0.894 nan 8.280 nan 0.000 0.523 624 N N 0.254 119.064 118.700 0.184 0.000 2.188 624 N HA -0.100 4.640 4.740 0.000 0.000 0.184 624 N C 1.521 177.094 175.510 0.105 0.000 1.018 624 N CA 1.598 54.721 53.050 0.122 0.000 0.858 624 N CB -0.787 37.759 38.487 0.099 0.000 0.989 624 N HN 0.204 nan 8.380 nan 0.000 0.426 625 T N 1.213 115.835 114.554 0.114 0.000 2.737 625 T HA 0.098 4.448 4.350 0.000 0.000 0.265 625 T C 2.202 176.958 174.700 0.093 0.000 1.038 625 T CA 1.579 63.736 62.100 0.094 0.000 1.144 625 T CB -0.488 68.437 68.868 0.095 0.000 0.866 625 T HN 0.487 nan 8.240 nan 0.000 0.434 626 A N 1.312 124.209 122.820 0.128 0.000 1.908 626 A HA -0.123 4.197 4.320 0.000 0.000 0.218 626 A C 2.574 180.207 177.584 0.082 0.000 1.181 626 A CA 2.194 54.301 52.037 0.117 0.000 0.627 626 A CB -1.153 17.943 19.000 0.160 0.000 0.818 626 A HN 0.457 nan 8.150 nan 0.000 0.445 627 S N -1.134 114.613 115.700 0.079 0.000 2.370 627 S HA -0.156 4.314 4.470 0.000 0.000 0.226 627 S C 2.042 176.671 174.600 0.048 0.000 1.033 627 S CA 2.305 60.538 58.200 0.055 0.000 1.011 627 S CB -0.606 62.628 63.200 0.056 0.000 0.852 627 S HN 0.608 nan 8.310 nan 0.000 0.457 628 T N 2.357 116.942 114.554 0.051 0.000 2.812 628 T HA 0.012 4.362 4.350 0.000 0.000 0.264 628 T C 1.681 176.401 174.700 0.033 0.000 1.042 628 T CA 1.288 63.412 62.100 0.040 0.000 1.140 628 T CB -0.447 68.447 68.868 0.042 0.000 0.870 628 T HN 0.354 nan 8.240 nan 0.000 0.445 629 L N 1.633 122.877 121.223 0.035 0.000 2.083 629 L HA -0.024 4.316 4.340 0.000 0.000 0.209 629 L C 2.417 179.302 176.870 0.025 0.000 1.083 629 L CA 1.919 56.774 54.840 0.025 0.000 0.752 629 L CB -0.608 41.466 42.059 0.025 0.000 0.899 629 L HN 0.320 nan 8.230 nan 0.000 0.433 630 E N -0.369 119.851 120.200 0.033 0.000 2.077 630 E HA -0.242 4.108 4.350 0.000 0.000 0.193 630 E C 2.074 178.685 176.600 0.017 0.000 0.989 630 E CA 1.218 57.636 56.400 0.030 0.000 0.800 630 E CB -0.240 29.483 29.700 0.038 0.000 0.746 630 E HN 0.587 nan 8.360 nan 0.000 0.452 631 A N 1.093 123.924 122.820 0.018 0.000 1.908 631 A HA -0.189 4.131 4.320 0.000 0.000 0.218 631 A C 2.266 179.854 177.584 0.007 0.000 1.181 631 A CA 1.861 53.905 52.037 0.011 0.000 0.627 631 A CB -0.546 18.464 19.000 0.018 0.000 0.818 631 A HN 0.351 nan 8.150 nan 0.000 0.445 632 M N -0.694 118.913 119.600 0.010 0.000 2.132 632 M HA -0.053 4.427 4.480 0.000 0.000 0.263 632 M C 1.830 178.134 176.300 0.006 0.000 1.065 632 M CA 1.263 56.568 55.300 0.008 0.000 1.122 632 M CB -0.445 32.160 32.600 0.008 0.000 1.365 632 M HN 0.326 nan 8.290 nan 0.000 0.411 633 L N -0.655 120.571 121.223 0.006 0.000 2.551 633 L HA -0.087 4.253 4.340 0.000 0.000 0.228 633 L C 2.158 179.026 176.870 -0.003 0.000 1.153 633 L CA 0.501 55.345 54.840 0.005 0.000 0.851 633 L CB -0.467 41.597 42.059 0.009 0.000 0.959 633 L HN 0.264 nan 8.230 nan 0.000 0.451 634 R N -0.429 120.060 120.500 -0.019 0.000 2.297 634 R HA 0.081 4.421 4.340 0.000 0.000 0.197 634 R C 0.049 176.328 176.300 -0.034 0.000 0.943 634 R CA -0.089 55.971 56.100 -0.066 0.000 1.038 634 R CB 0.083 30.328 30.300 -0.092 0.000 0.957 634 R HN 0.345 nan 8.270 nan 0.000 0.484 635 N N 1.638 120.349 118.700 0.019 0.000 2.514 635 N HA -0.026 4.714 4.740 0.000 0.000 0.277 635 N C 0.147 175.725 175.510 0.113 0.000 1.126 635 N CA 0.108 53.194 53.050 0.059 0.000 0.978 635 N CB 1.331 39.836 38.487 0.030 0.000 1.106 635 N HN 0.110 nan 8.380 nan 0.000 0.461 636 D N -0.362 120.129 120.400 0.151 0.000 2.221 636 D HA -0.184 4.456 4.640 0.000 0.000 0.204 636 D C 1.501 177.802 176.300 0.003 0.000 0.982 636 D CA 1.172 55.204 54.000 0.054 0.000 0.857 636 D CB -0.222 40.469 40.800 -0.181 0.000 0.934 636 D HN 0.522 nan 8.370 nan 0.000 0.475 637 T N -0.536 114.020 114.554 0.003 0.000 2.833 637 T HA -0.142 4.208 4.350 0.000 0.000 0.269 637 T C 1.016 175.711 174.700 -0.009 0.000 1.054 637 T CA 1.021 63.114 62.100 -0.011 0.000 1.135 637 T CB -0.357 68.506 68.868 -0.007 0.000 0.869 637 T HN 0.040 nan 8.240 nan 0.000 0.466 638 N N 1.983 120.687 118.700 0.007 0.000 2.320 638 N HA 0.163 4.903 4.740 0.000 0.000 0.237 638 N C -0.865 174.648 175.510 0.005 0.000 1.129 638 N CA -0.161 52.888 53.050 -0.002 0.000 0.854 638 N CB 0.170 38.658 38.487 0.001 0.000 1.083 638 N HN 0.480 nan 8.380 nan 0.000 0.504 639 D N 1.331 121.740 120.400 0.016 0.000 2.423 639 D HA 0.039 4.679 4.640 0.000 0.000 0.238 639 D C 0.761 177.036 176.300 -0.042 0.000 1.142 639 D CA 0.547 54.564 54.000 0.029 0.000 0.884 639 D CB 1.155 41.974 40.800 0.032 0.000 1.199 639 D HN 0.128 nan 8.370 nan 0.000 0.438 640 Q N 0.152 119.924 119.800 -0.047 0.000 2.312 640 Q HA 0.514 4.854 4.340 0.000 0.000 0.236 640 Q C -0.338 175.485 176.000 -0.295 0.000 0.965 640 Q CA -0.460 55.231 55.803 -0.187 0.000 0.894 640 Q CB 1.230 29.925 28.738 -0.072 0.000 1.225 640 Q HN 0.512 nan 8.270 nan 0.000 0.478 641 S N 0.390 115.688 115.700 -0.670 0.000 2.533 641 S HA 0.758 5.228 4.470 0.000 0.000 0.271 641 S C -1.373 172.721 174.600 -0.843 0.000 1.143 641 S CA -0.850 57.047 58.200 -0.506 0.000 0.891 641 S CB 0.786 63.848 63.200 -0.230 0.000 1.105 641 S HN 0.410 nan 8.310 nan 0.000 0.468 642 F N 1.420 121.409 119.950 0.064 0.000 2.613 642 F HA 0.660 5.187 4.527 0.000 0.000 0.314 642 F C -0.143 175.783 175.800 0.211 0.000 1.075 642 F CA -0.778 57.300 58.000 0.131 0.000 0.945 642 F CB 1.908 40.998 39.000 0.150 0.000 1.310 642 F HN 0.830 nan 8.300 nan 0.000 0.467 643 N N -0.147 118.739 118.700 0.311 0.000 2.229 643 N HA 0.268 5.008 4.740 0.000 0.000 0.298 643 N C -1.864 173.524 175.510 -0.203 0.000 1.114 643 N CA -0.612 52.450 53.050 0.020 0.000 0.776 643 N CB 2.289 40.780 38.487 0.007 0.000 1.501 643 N HN 0.632 nan 8.380 nan 0.000 0.474 644 D N 0.245 120.146 120.400 -0.832 0.000 2.424 644 D HA -0.013 4.627 4.640 0.000 0.000 0.244 644 D C 0.902 177.049 176.300 -0.256 0.000 1.134 644 D CA -0.111 53.475 54.000 -0.691 0.000 0.881 644 D CB 0.563 40.782 40.800 -0.968 0.000 1.191 644 D HN 0.500 nan 8.370 nan 0.000 0.445 645 Y N 3.625 123.817 120.300 -0.180 0.000 2.145 645 Y HA -0.162 4.388 4.550 0.000 0.000 0.286 645 Y C 1.744 177.550 175.900 -0.157 0.000 1.145 645 Y CA 1.436 59.457 58.100 -0.132 0.000 1.148 645 Y CB -0.255 38.151 38.460 -0.090 0.000 0.981 645 Y HN 0.531 nan 8.280 nan 0.000 0.507 646 L N 0.528 121.718 121.223 -0.054 0.000 2.083 646 L HA -0.095 4.245 4.340 0.000 0.000 0.209 646 L C 1.125 177.850 176.870 -0.243 0.000 1.083 646 L CA 1.749 56.511 54.840 -0.130 0.000 0.752 646 L CB -0.847 41.189 42.059 -0.038 0.000 0.899 646 L HN 0.217 nan 8.230 nan 0.000 0.433 647 S N -0.049 115.493 115.700 -0.263 0.000 3.356 647 S HA 0.011 4.481 4.470 0.000 0.000 0.376 647 S C 0.056 174.523 174.600 -0.221 0.000 0.924 647 S CA 0.497 58.525 58.200 -0.288 0.000 1.316 647 S CB -1.625 61.338 63.200 -0.395 0.000 0.922 647 S HN 0.944 nan 8.310 nan 0.000 0.553 648 A N 0.560 123.301 122.820 -0.131 0.000 2.612 648 A HA 0.866 5.186 4.320 0.000 0.000 0.293 648 A C -0.519 177.060 177.584 -0.008 0.000 1.075 648 A CA -0.090 51.903 52.037 -0.074 0.000 0.680 648 A CB 1.064 20.020 19.000 -0.074 0.000 1.279 648 A HN 1.502 nan 8.150 nan 0.000 0.411 649 A N 1.618 124.428 122.820 -0.016 0.000 2.274 649 A HA 0.637 4.957 4.320 0.000 0.000 0.309 649 A C -0.390 177.270 177.584 0.127 0.000 1.226 649 A CA -0.632 51.396 52.037 -0.014 0.000 0.853 649 A CB 0.101 18.928 19.000 -0.288 0.000 1.146 649 A HN 0.670 nan 8.150 nan 0.000 0.518 650 N N 3.278 122.099 118.700 0.201 0.000 2.425 650 N HA 0.425 5.165 4.740 0.000 0.000 0.268 650 N C -0.914 174.782 175.510 0.311 0.000 0.991 650 N CA -0.230 53.038 53.050 0.363 0.000 0.931 650 N CB 1.414 40.158 38.487 0.429 0.000 1.130 650 N HN 0.531 nan 8.380 nan 0.000 0.493 651 M N 2.497 122.334 119.600 0.395 0.000 2.456 651 M HA 0.509 4.989 4.480 0.000 0.000 0.324 651 M C -0.545 175.835 176.300 0.133 0.000 1.124 651 M CA -0.548 54.873 55.300 0.201 0.000 0.959 651 M CB 1.789 34.615 32.600 0.378 0.000 1.692 651 M HN 0.249 nan 8.290 nan 0.000 0.444 652 L N 3.050 124.146 121.223 -0.210 0.000 2.381 652 L HA 0.534 4.874 4.340 0.000 0.000 0.274 652 L C -1.596 175.044 176.870 -0.383 0.000 0.988 652 L CA -0.646 54.103 54.840 -0.152 0.000 0.824 652 L CB 1.662 43.619 42.059 -0.169 0.000 1.263 652 L HN 0.563 nan 8.230 nan 0.000 0.410 653 Y N 3.438 123.774 120.300 0.059 0.000 2.341 653 Y HA 0.427 4.977 4.550 0.000 0.000 0.338 653 Y C -2.118 173.786 175.900 0.006 0.000 0.965 653 Y CA -2.668 55.453 58.100 0.036 0.000 1.108 653 Y CB 1.559 40.042 38.460 0.038 0.000 1.180 653 Y HN 0.354 nan 8.280 nan 0.000 0.458 654 P HA 0.203 nan 4.420 nan 0.000 0.271 654 P C -0.560 176.773 177.300 0.054 0.000 1.216 654 P CA 0.224 63.358 63.100 0.057 0.000 0.771 654 P CB 1.409 33.127 31.700 0.030 0.000 0.864 655 I N 4.738 125.320 120.570 0.020 0.000 2.437 655 I HA 0.257 4.427 4.170 0.000 0.000 0.279 655 I C -2.277 173.835 176.117 -0.010 0.000 1.028 655 I CA -2.775 58.524 61.300 -0.001 0.000 1.142 655 I CB 1.642 39.623 38.000 -0.031 0.000 1.266 655 I HN 0.062 nan 8.210 nan 0.000 0.461 656 P HA -0.016 nan 4.420 nan 0.000 0.267 656 P C -0.070 177.221 177.300 -0.014 0.000 1.201 656 P CA -0.125 62.970 63.100 -0.008 0.000 0.775 656 P CB 0.576 32.274 31.700 -0.004 0.000 0.854 657 A N 2.874 125.686 122.820 -0.013 0.000 2.567 657 A HA -0.018 4.302 4.320 0.000 0.000 0.240 657 A C 0.912 178.490 177.584 -0.010 0.000 1.053 657 A CA 0.795 52.825 52.037 -0.012 0.000 0.755 657 A CB -1.380 17.615 19.000 -0.008 0.000 0.978 657 A HN 0.829 nan 8.150 nan 0.000 0.507 658 N N -0.833 117.859 118.700 -0.012 0.000 2.900 658 N HA -0.222 4.518 4.740 0.000 0.000 0.240 658 N C 0.371 175.872 175.510 -0.015 0.000 0.953 658 N CA 0.540 53.583 53.050 -0.010 0.000 0.950 658 N CB -1.510 36.975 38.487 -0.002 0.000 1.102 658 N HN 1.220 nan 8.380 nan 0.000 0.593 659 A N 0.085 122.894 122.820 -0.018 0.000 2.483 659 A HA 0.368 4.688 4.320 0.000 0.000 0.238 659 A C 1.205 178.772 177.584 -0.028 0.000 1.070 659 A CA 1.019 53.045 52.037 -0.018 0.000 0.770 659 A CB 0.494 19.485 19.000 -0.015 0.000 1.008 659 A HN 0.231 nan 8.150 nan 0.000 0.497 660 T N 0.628 115.168 114.554 -0.023 0.000 2.964 660 T HA 0.122 4.472 4.350 0.000 0.000 0.249 660 T C 0.539 175.226 174.700 -0.022 0.000 1.000 660 T CA 0.360 62.443 62.100 -0.029 0.000 0.992 660 T CB -0.123 68.732 68.868 -0.022 0.000 1.087 660 T HN 0.711 nan 8.240 nan 0.000 0.489 661 N N 1.169 119.863 118.700 -0.011 0.000 2.392 661 N HA 0.463 5.203 4.740 0.000 0.000 0.283 661 N C -1.470 174.047 175.510 0.012 0.000 1.003 661 N CA -0.263 52.787 53.050 0.000 0.000 0.892 661 N CB 1.481 39.967 38.487 -0.003 0.000 1.193 661 N HN -0.156 nan 8.380 nan 0.000 0.487 662 V N 5.680 125.617 119.914 0.038 0.000 2.340 662 V HA 0.471 4.591 4.120 0.000 0.000 0.277 662 V C -2.281 173.854 176.094 0.070 0.000 1.017 662 V CA -1.218 61.109 62.300 0.045 0.000 0.820 662 V CB 1.235 33.074 31.823 0.027 0.000 1.028 662 V HN 0.669 nan 8.190 nan 0.000 0.436 663 P HA 0.590 nan 4.420 nan 0.000 0.300 663 P C -0.792 176.498 177.300 -0.016 0.000 1.326 663 P CA -0.392 62.716 63.100 0.013 0.000 0.844 663 P CB 2.195 33.899 31.700 0.006 0.000 0.992 664 I N -0.780 119.763 120.570 -0.046 0.000 2.740 664 I HA 0.761 4.931 4.170 0.000 0.000 0.303 664 I C -0.917 175.194 176.117 -0.009 0.000 1.044 664 I CA -0.962 60.267 61.300 -0.119 0.000 1.064 664 I CB 2.547 40.281 38.000 -0.443 0.000 1.249 664 I HN 0.175 nan 8.210 nan 0.000 0.433 665 S N 5.458 121.190 115.700 0.054 0.000 2.614 665 S HA 0.639 5.109 4.470 0.000 0.000 0.288 665 S C -0.926 173.762 174.600 0.146 0.000 1.137 665 S CA -0.647 57.608 58.200 0.091 0.000 0.992 665 S CB 1.238 64.481 63.200 0.071 0.000 1.026 665 S HN 0.498 nan 8.310 nan 0.000 0.486 666 I N 6.721 127.393 120.570 0.171 0.000 2.330 666 I HA 0.386 4.556 4.170 0.000 0.000 0.289 666 I C -2.042 174.163 176.117 0.146 0.000 1.001 666 I CA -2.611 58.799 61.300 0.183 0.000 1.193 666 I CB 0.998 39.175 38.000 0.295 0.000 1.345 666 I HN 0.448 nan 8.210 nan 0.000 0.461 667 P HA -0.020 nan 4.420 nan 0.000 0.269 667 P C 0.187 177.526 177.300 0.064 0.000 1.209 667 P CA -0.091 63.046 63.100 0.062 0.000 0.776 667 P CB 0.665 32.380 31.700 0.026 0.000 0.876 668 S N 2.390 118.142 115.700 0.088 0.000 3.116 668 S HA -0.061 4.409 4.470 0.000 0.000 0.367 668 S C 0.469 175.086 174.600 0.028 0.000 1.202 668 S CA 0.353 58.620 58.200 0.112 0.000 1.018 668 S CB -0.586 62.653 63.200 0.065 0.000 0.726 668 S HN 0.728 nan 8.310 nan 0.000 0.506 669 R N 3.005 123.527 120.500 0.037 0.000 2.844 669 R HA 0.524 4.864 4.340 0.000 0.000 0.264 669 R C -1.199 174.976 176.300 -0.208 0.000 1.077 669 R CA -1.079 54.893 56.100 -0.212 0.000 0.953 669 R CB 0.296 30.263 30.300 -0.555 0.000 1.272 669 R HN 0.508 nan 8.270 nan 0.000 0.447 670 N N -0.557 117.938 118.700 -0.341 0.000 2.499 670 N HA 0.249 4.989 4.740 0.000 0.000 0.281 670 N C -1.015 174.249 175.510 -0.410 0.000 1.098 670 N CA -0.542 52.399 53.050 -0.183 0.000 0.979 670 N CB 0.644 39.066 38.487 -0.109 0.000 1.121 670 N HN 0.561 nan 8.380 nan 0.000 0.466 671 W N 2.331 123.656 121.300 0.042 0.000 2.862 671 W HA 0.488 5.148 4.660 0.000 0.000 0.376 671 W C 0.540 177.118 176.519 0.099 0.000 1.028 671 W CA -0.535 56.818 57.345 0.014 0.000 1.757 671 W CB -0.239 29.223 29.460 0.004 0.000 1.128 671 W HN 0.499 nan 8.180 nan 0.000 0.566 672 A N 1.065 124.044 122.820 0.264 0.000 2.565 672 A HA 0.367 4.687 4.320 0.000 0.000 0.237 672 A C 1.569 179.275 177.584 0.203 0.000 1.053 672 A CA 1.261 53.429 52.037 0.219 0.000 0.755 672 A CB -0.082 19.005 19.000 0.146 0.000 0.980 672 A HN 1.180 nan 8.150 nan 0.000 0.506 673 A N 1.210 124.150 122.820 0.201 0.000 3.396 673 A HA -0.196 4.124 4.320 0.000 0.000 0.267 673 A C 0.390 178.174 177.584 0.334 0.000 1.139 673 A CA 0.941 53.123 52.037 0.242 0.000 1.115 673 A CB -2.596 16.516 19.000 0.187 0.000 1.133 673 A HN 2.038 nan 8.150 nan 0.000 0.920 674 F N 1.424 121.442 119.950 0.113 0.000 2.608 674 F HA 0.381 4.908 4.527 0.000 0.000 0.380 674 F C 1.306 177.096 175.800 -0.017 0.000 1.083 674 F CA 0.603 58.605 58.000 0.004 0.000 1.266 674 F CB 0.368 39.280 39.000 -0.148 0.000 1.076 674 F HN 0.256 nan 8.300 nan 0.000 0.574 675 R N 3.150 123.240 120.500 -0.684 0.000 2.189 675 R HA 0.413 4.753 4.340 0.000 0.000 0.203 675 R C 0.775 176.582 176.300 -0.822 0.000 1.012 675 R CA 0.314 56.063 56.100 -0.585 0.000 1.015 675 R CB 0.057 30.071 30.300 -0.476 0.000 0.938 675 R HN 0.916 nan 8.270 nan 0.000 0.472 676 G N -0.696 107.088 108.800 -1.694 0.000 2.340 676 G HA2 -0.008 3.952 3.960 0.000 0.000 0.282 676 G HA3 -0.008 3.952 3.960 0.000 0.000 0.282 676 G C -1.838 172.543 174.900 -0.866 0.000 1.312 676 G CA -0.976 43.398 45.100 -1.210 0.000 0.942 676 G HN 0.025 nan 8.290 nan 0.000 0.495 677 W N -0.044 121.162 121.300 -0.156 0.000 2.781 677 W HA 0.756 5.416 4.660 0.000 0.000 0.345 677 W C 0.119 176.595 176.519 -0.073 0.000 1.085 677 W CA -0.268 57.030 57.345 -0.079 0.000 1.198 677 W CB 2.435 31.900 29.460 0.008 0.000 1.423 677 W HN 1.285 nan 8.180 nan 0.000 0.532 678 A N 2.743 125.648 122.820 0.141 0.000 2.486 678 A HA 0.938 5.258 4.320 0.000 0.000 0.300 678 A C -1.655 175.914 177.584 -0.026 0.000 1.048 678 A CA -0.551 51.454 52.037 -0.054 0.000 0.696 678 A CB 1.670 20.546 19.000 -0.207 0.000 1.278 678 A HN 0.671 nan 8.150 nan 0.000 0.405 679 F N -0.906 118.903 119.950 -0.235 0.000 2.719 679 F HA 0.878 5.405 4.527 0.000 0.000 0.309 679 F C -0.304 175.278 175.800 -0.365 0.000 1.138 679 F CA -0.383 57.426 58.000 -0.318 0.000 0.943 679 F CB 1.137 40.020 39.000 -0.194 0.000 1.304 679 F HN 0.712 nan 8.300 nan 0.000 0.445 680 T N -0.436 114.073 114.554 -0.076 0.000 2.626 680 T HA 0.606 4.956 4.350 0.000 0.000 0.299 680 T C -1.713 173.274 174.700 0.478 0.000 1.181 680 T CA -1.191 60.927 62.100 0.030 0.000 1.053 680 T CB 1.995 70.646 68.868 -0.361 0.000 1.566 680 T HN 0.949 nan 8.240 nan 0.000 0.486 681 R N 0.115 120.846 120.500 0.384 0.000 2.575 681 R HA 0.742 5.082 4.340 0.000 0.000 0.293 681 R C -1.768 174.613 176.300 0.136 0.000 0.983 681 R CA -0.683 55.554 56.100 0.229 0.000 0.887 681 R CB 1.010 31.315 30.300 0.008 0.000 1.184 681 R HN 0.614 nan 8.270 nan 0.000 0.445 682 L N 2.678 123.980 121.223 0.132 0.000 2.323 682 L HA 0.579 4.919 4.340 0.000 0.000 0.265 682 L C -0.339 176.551 176.870 0.034 0.000 1.012 682 L CA -1.171 53.734 54.840 0.110 0.000 0.820 682 L CB 2.214 44.382 42.059 0.183 0.000 1.334 682 L HN 0.462 nan 8.230 nan 0.000 0.427 683 K N 0.027 120.444 120.400 0.027 0.000 2.201 683 K HA 0.270 4.590 4.320 0.000 0.000 0.278 683 K C 0.535 177.127 176.600 -0.013 0.000 1.027 683 K CA -0.397 55.892 56.287 0.003 0.000 0.909 683 K CB 1.758 34.268 32.500 0.016 0.000 1.062 683 K HN 0.559 nan 8.250 nan 0.000 0.465 684 T N 2.346 116.889 114.554 -0.020 0.000 2.720 684 T HA -0.158 4.192 4.350 0.000 0.000 0.268 684 T C 1.337 176.025 174.700 -0.019 0.000 1.037 684 T CA 1.414 63.502 62.100 -0.021 0.000 1.144 684 T CB 0.001 68.857 68.868 -0.021 0.000 0.864 684 T HN 0.520 nan 8.240 nan 0.000 0.444 685 K N 0.920 121.286 120.400 -0.056 0.000 2.211 685 K HA -0.089 4.231 4.320 0.000 0.000 0.204 685 K C 1.800 178.262 176.600 -0.230 0.000 1.047 685 K CA 1.103 57.330 56.287 -0.101 0.000 0.935 685 K CB -0.042 32.378 32.500 -0.133 0.000 0.728 685 K HN 0.518 nan 8.250 nan 0.000 0.452 686 E N 0.136 120.169 120.200 -0.279 0.000 2.444 686 E HA 0.030 4.380 4.350 0.000 0.000 0.191 686 E C -0.523 176.132 176.600 0.092 0.000 1.041 686 E CA 0.144 56.315 56.400 -0.382 0.000 0.883 686 E CB 0.797 30.279 29.700 -0.363 0.000 1.024 686 E HN -0.007 nan 8.360 nan 0.000 0.470 687 T N 3.834 118.451 114.554 0.104 0.000 2.912 687 T HA 0.217 4.567 4.350 0.000 0.000 0.326 687 T C -2.418 172.235 174.700 -0.077 0.000 1.080 687 T CA -1.495 60.616 62.100 0.019 0.000 1.000 687 T CB 1.351 70.171 68.868 -0.080 0.000 1.008 687 T HN 0.006 nan 8.240 nan 0.000 0.473 688 P HA 0.120 nan 4.420 nan 0.000 0.269 688 P C -0.097 176.984 177.300 -0.365 0.000 1.215 688 P CA -0.286 62.413 63.100 -0.668 0.000 0.780 688 P CB 0.761 31.732 31.700 -1.216 0.000 0.898 689 S N 2.436 117.971 115.700 -0.275 0.000 2.455 689 S HA 0.285 4.755 4.470 0.000 0.000 0.278 689 S C 0.099 174.592 174.600 -0.179 0.000 1.216 689 S CA -0.612 57.476 58.200 -0.186 0.000 1.055 689 S CB -0.912 62.227 63.200 -0.101 0.000 0.939 689 S HN 0.261 nan 8.310 nan 0.000 0.494 690 L N 4.316 125.445 121.223 -0.156 0.000 2.365 690 L HA 0.700 5.040 4.340 0.000 0.000 0.267 690 L C 1.619 178.468 176.870 -0.034 0.000 1.033 690 L CA -0.130 54.664 54.840 -0.078 0.000 0.802 690 L CB 1.026 43.058 42.059 -0.043 0.000 1.267 690 L HN 0.925 nan 8.230 nan 0.000 0.457 691 G N 0.276 109.087 108.800 0.019 0.000 2.611 691 G HA2 -0.273 3.687 3.960 0.000 0.000 0.208 691 G HA3 -0.273 3.687 3.960 0.000 0.000 0.208 691 G C 0.212 175.119 174.900 0.010 0.000 1.201 691 G CA 0.091 45.200 45.100 0.016 0.000 0.739 691 G HN 0.760 nan 8.290 nan 0.000 0.528 692 S N 1.415 117.111 115.700 -0.007 0.000 2.565 692 S HA 0.555 5.025 4.470 0.000 0.000 0.274 692 S C 1.524 176.127 174.600 0.006 0.000 1.309 692 S CA 0.750 58.940 58.200 -0.015 0.000 1.043 692 S CB 1.594 64.770 63.200 -0.039 0.000 0.939 692 S HN 1.648 nan 8.310 nan 0.000 0.504 693 G N 0.411 109.210 108.800 -0.003 0.000 2.535 693 G HA2 0.025 3.985 3.960 0.000 0.000 0.218 693 G HA3 0.025 3.985 3.960 0.000 0.000 0.218 693 G C -0.152 174.647 174.900 -0.168 0.000 1.122 693 G CA 0.505 45.636 45.100 0.052 0.000 0.769 693 G HN 0.836 nan 8.290 nan 0.000 0.549 694 Y N -0.403 119.629 120.300 -0.445 0.000 2.390 694 Y HA 0.387 4.937 4.550 0.000 0.000 0.324 694 Y C -2.002 173.744 175.900 -0.256 0.000 1.151 694 Y CA -1.443 56.388 58.100 -0.450 0.000 1.053 694 Y CB 1.948 39.912 38.460 -0.827 0.000 1.277 694 Y HN -0.051 nan 8.280 nan 0.000 0.432 695 D N 8.361 128.385 120.400 -0.627 0.000 2.443 695 D HA 0.306 4.946 4.640 0.000 0.000 0.221 695 D C -1.766 174.189 176.300 -0.575 0.000 1.097 695 D CA -2.511 51.224 54.000 -0.442 0.000 0.865 695 D CB 1.762 42.381 40.800 -0.302 0.000 1.034 695 D HN 0.363 nan 8.370 nan 0.000 0.511 696 P HA -0.152 nan 4.420 nan 0.000 0.220 696 P C 0.561 177.635 177.300 -0.377 0.000 1.148 696 P CA 1.001 63.848 63.100 -0.422 0.000 0.803 696 P CB 0.003 31.386 31.700 -0.530 0.000 0.782 697 Y N -2.493 117.802 120.300 -0.008 0.000 2.493 697 Y HA 0.186 4.736 4.550 0.000 0.000 0.275 697 Y C 0.920 176.863 175.900 0.072 0.000 1.183 697 Y CA -0.800 57.314 58.100 0.023 0.000 1.258 697 Y CB -0.628 37.842 38.460 0.017 0.000 1.108 697 Y HN -0.096 nan 8.280 nan 0.000 0.521 698 Y N 2.392 122.678 120.300 -0.023 0.000 2.595 698 Y HA 0.163 4.713 4.550 0.000 0.000 0.347 698 Y C 0.506 176.419 175.900 0.021 0.000 1.025 698 Y CA -0.705 57.391 58.100 -0.007 0.000 1.295 698 Y CB 0.466 38.877 38.460 -0.083 0.000 1.147 698 Y HN 0.086 nan 8.280 nan 0.000 0.515 699 T N 2.731 117.192 114.554 -0.156 0.000 3.327 699 T HA 0.231 4.581 4.350 0.000 0.000 0.244 699 T C -1.109 173.494 174.700 -0.161 0.000 1.074 699 T CA -0.446 61.573 62.100 -0.135 0.000 1.156 699 T CB -0.595 68.254 68.868 -0.031 0.000 1.087 699 T HN 0.528 nan 8.240 nan 0.000 0.575 700 Y N 0.979 120.916 120.300 -0.605 0.000 2.513 700 Y HA 0.552 5.102 4.550 0.000 0.000 0.340 700 Y C -0.093 175.550 175.900 -0.429 0.000 1.055 700 Y CA -0.898 56.922 58.100 -0.467 0.000 1.020 700 Y CB 2.118 40.309 38.460 -0.448 0.000 1.301 700 Y HN 0.209 nan 8.280 nan 0.000 0.453 701 S N 1.911 117.078 115.700 -0.890 0.000 2.952 701 S HA 0.469 4.939 4.470 0.000 0.000 0.251 701 S C 0.385 174.598 174.600 -0.645 0.000 1.021 701 S CA -0.012 57.837 58.200 -0.585 0.000 1.067 701 S CB -0.004 63.030 63.200 -0.276 0.000 1.002 701 S HN 0.988 nan 8.310 nan 0.000 0.574 702 G N 2.117 110.114 108.800 -1.338 0.000 2.531 702 G HA2 0.496 4.456 3.960 0.000 0.000 0.253 702 G HA3 0.496 4.456 3.960 0.000 0.000 0.253 702 G C 0.098 174.975 174.900 -0.038 0.000 1.439 702 G CA -0.129 44.674 45.100 -0.496 0.000 1.056 702 G HN 0.725 nan 8.290 nan 0.000 0.555 703 S N -1.282 114.543 115.700 0.208 0.000 2.576 703 S HA 0.377 4.847 4.470 0.000 0.000 0.276 703 S C -0.061 174.739 174.600 0.333 0.000 1.339 703 S CA -0.385 57.939 58.200 0.207 0.000 1.039 703 S CB 0.749 64.035 63.200 0.144 0.000 0.902 703 S HN 0.380 nan 8.310 nan 0.000 0.516 704 I N 3.263 123.967 120.570 0.223 0.000 2.503 704 I HA 0.277 4.447 4.170 0.000 0.000 0.277 704 I C -1.975 174.200 176.117 0.096 0.000 1.078 704 I CA -2.318 59.129 61.300 0.245 0.000 1.184 704 I CB 1.383 39.530 38.000 0.246 0.000 1.353 704 I HN 0.455 nan 8.210 nan 0.000 0.490 705 P HA -0.286 nan 4.420 nan 0.000 0.218 705 P C 1.570 178.712 177.300 -0.263 0.000 1.154 705 P CA 1.679 64.652 63.100 -0.212 0.000 0.872 705 P CB 0.028 31.749 31.700 0.035 0.000 0.790 706 Y N -0.208 120.083 120.300 -0.015 0.000 2.207 706 Y HA -0.195 4.355 4.550 0.000 0.000 0.287 706 Y C 1.841 177.751 175.900 0.016 0.000 1.156 706 Y CA 1.567 59.692 58.100 0.042 0.000 1.182 706 Y CB -0.564 37.847 38.460 -0.081 0.000 0.979 706 Y HN -0.126 nan 8.280 nan 0.000 0.521 707 L N -0.852 120.364 121.223 -0.012 0.000 2.388 707 L HA 0.058 4.398 4.340 0.000 0.000 0.209 707 L C 1.539 178.350 176.870 -0.099 0.000 1.061 707 L CA 0.873 55.683 54.840 -0.050 0.000 0.834 707 L CB -0.255 41.859 42.059 0.091 0.000 1.029 707 L HN 0.173 nan 8.230 nan 0.000 0.473 708 D N -0.827 119.491 120.400 -0.137 0.000 2.360 708 D HA 0.099 4.739 4.640 0.000 0.000 0.210 708 D C 1.441 177.553 176.300 -0.313 0.000 1.047 708 D CA 0.687 54.588 54.000 -0.165 0.000 0.854 708 D CB 0.407 41.143 40.800 -0.106 0.000 0.936 708 D HN 0.182 nan 8.370 nan 0.000 0.514 709 G N 0.461 108.920 108.800 -0.569 0.000 2.143 709 G HA2 -0.280 3.680 3.960 0.000 0.000 0.249 709 G HA3 -0.280 3.680 3.960 0.000 0.000 0.249 709 G C 0.671 175.154 174.900 -0.694 0.000 0.981 709 G CA 0.524 45.136 45.100 -0.814 0.000 0.665 709 G HN 0.683 nan 8.290 nan 0.000 0.528 710 T N -0.454 113.696 114.554 -0.674 0.000 3.820 710 T HA 0.556 4.906 4.350 0.000 0.000 0.224 710 T C 0.616 175.262 174.700 -0.090 0.000 0.869 710 T CA -0.546 61.140 62.100 -0.690 0.000 0.932 710 T CB -0.736 67.489 68.868 -1.073 0.000 1.259 710 T HN 0.300 nan 8.240 nan 0.000 0.676 711 F N 2.489 122.565 119.950 0.211 0.000 2.518 711 F HA 0.303 4.830 4.527 0.000 0.000 0.359 711 F C 1.065 177.147 175.800 0.470 0.000 1.118 711 F CA -0.677 57.482 58.000 0.264 0.000 1.287 711 F CB 0.438 39.506 39.000 0.112 0.000 1.132 711 F HN 0.521 nan 8.300 nan 0.000 0.587 712 Y N -0.302 120.283 120.300 0.475 0.000 2.957 712 Y HA 0.436 4.986 4.550 0.000 0.000 0.274 712 Y C -0.407 175.723 175.900 0.383 0.000 1.065 712 Y CA -0.474 57.871 58.100 0.408 0.000 1.273 712 Y CB -0.863 37.830 38.460 0.389 0.000 1.358 712 Y HN 0.417 nan 8.280 nan 0.000 0.585 713 L N 0.922 122.127 121.223 -0.030 0.000 3.014 713 L HA 0.317 4.657 4.340 0.000 0.000 0.263 713 L C 0.979 177.835 176.870 -0.024 0.000 1.207 713 L CA -0.077 54.677 54.840 -0.142 0.000 1.017 713 L CB 0.109 41.992 42.059 -0.294 0.000 1.360 713 L HN 0.212 nan 8.230 nan 0.000 0.560 714 N N 0.607 119.419 118.700 0.186 0.000 2.364 714 N HA -0.176 4.564 4.740 0.000 0.000 0.183 714 N C 1.674 177.598 175.510 0.689 0.000 1.022 714 N CA 1.131 54.384 53.050 0.338 0.000 0.883 714 N CB -0.122 38.191 38.487 -0.290 0.000 0.965 714 N HN 0.589 nan 8.380 nan 0.000 0.438 715 H N -0.219 119.033 119.070 0.304 0.000 2.559 715 H HA 0.074 4.630 4.556 0.000 0.000 0.273 715 H C 1.032 176.390 175.328 0.050 0.000 1.000 715 H CA 1.232 57.273 56.048 -0.012 0.000 1.195 715 H CB -0.626 28.906 29.762 -0.383 0.000 1.368 715 H HN 0.134 nan 8.280 nan 0.000 0.592 716 T N -2.433 111.958 114.554 -0.272 0.000 3.144 716 T HA 0.158 4.508 4.350 0.000 0.000 0.249 716 T C 0.119 174.711 174.700 -0.180 0.000 1.089 716 T CA -0.553 61.389 62.100 -0.262 0.000 0.989 716 T CB -0.736 67.885 68.868 -0.412 0.000 0.992 716 T HN 0.012 nan 8.240 nan 0.000 0.540 717 F N 1.421 121.426 119.950 0.091 0.000 2.394 717 F HA 0.596 5.123 4.527 0.000 0.000 0.340 717 F C 1.371 177.148 175.800 -0.038 0.000 1.105 717 F CA -1.139 56.907 58.000 0.077 0.000 1.124 717 F CB 1.814 40.923 39.000 0.183 0.000 1.145 717 F HN -0.103 nan 8.300 nan 0.000 0.505 718 K N 2.239 122.688 120.400 0.082 0.000 2.161 718 K HA 0.185 4.505 4.320 0.000 0.000 0.205 718 K C -0.508 176.035 176.600 -0.095 0.000 1.035 718 K CA 0.726 57.006 56.287 -0.012 0.000 0.970 718 K CB 0.368 32.855 32.500 -0.021 0.000 0.866 718 K HN 0.647 nan 8.250 nan 0.000 0.461 719 K N -1.310 119.037 120.400 -0.089 0.000 2.579 719 K HA 0.478 4.798 4.320 0.000 0.000 0.284 719 K C -1.572 174.900 176.600 -0.213 0.000 0.990 719 K CA -1.118 55.067 56.287 -0.171 0.000 0.880 719 K CB 2.137 34.557 32.500 -0.133 0.000 1.488 719 K HN -0.169 nan 8.250 nan 0.000 0.425 720 V N 0.108 119.853 119.914 -0.282 0.000 2.686 720 V HA 0.736 4.856 4.120 0.000 0.000 0.306 720 V C -1.023 174.894 176.094 -0.295 0.000 1.065 720 V CA -0.740 61.251 62.300 -0.516 0.000 0.894 720 V CB 1.520 32.867 31.823 -0.792 0.000 1.004 720 V HN 0.966 nan 8.190 nan 0.000 0.424 721 A N 5.731 128.335 122.820 -0.360 0.000 2.318 721 A HA 0.923 5.243 4.320 0.000 0.000 0.317 721 A C -0.828 176.604 177.584 -0.252 0.000 1.159 721 A CA -0.482 51.440 52.037 -0.190 0.000 0.799 721 A CB 0.760 19.671 19.000 -0.148 0.000 1.194 721 A HN 0.784 nan 8.150 nan 0.000 0.479 722 I N 2.043 122.542 120.570 -0.119 0.000 2.433 722 I HA 0.470 4.640 4.170 0.000 0.000 0.292 722 I C -0.462 175.630 176.117 -0.042 0.000 1.001 722 I CA -0.209 60.983 61.300 -0.179 0.000 1.119 722 I CB 2.415 40.312 38.000 -0.171 0.000 1.289 722 I HN 0.582 nan 8.210 nan 0.000 0.438 723 T N 5.602 120.064 114.554 -0.153 0.000 2.928 723 T HA 0.497 4.847 4.350 0.000 0.000 0.296 723 T C -0.664 173.949 174.700 -0.146 0.000 1.000 723 T CA -0.480 61.592 62.100 -0.047 0.000 0.989 723 T CB 0.968 69.826 68.868 -0.016 0.000 1.005 723 T HN 0.087 nan 8.240 nan 0.000 0.442 724 F N 2.173 122.174 119.950 0.085 0.000 2.399 724 F HA 0.353 4.880 4.527 0.000 0.000 0.334 724 F C 1.293 177.153 175.800 0.100 0.000 1.097 724 F CA -0.310 57.725 58.000 0.058 0.000 1.076 724 F CB 0.888 39.906 39.000 0.030 0.000 1.162 724 F HN 0.615 nan 8.300 nan 0.000 0.495 725 D N 2.299 122.883 120.400 0.308 0.000 2.702 725 D HA -0.260 4.380 4.640 0.000 0.000 0.233 725 D C 0.708 177.083 176.300 0.126 0.000 1.164 725 D CA 1.107 55.225 54.000 0.198 0.000 0.638 725 D CB -1.014 39.906 40.800 0.200 0.000 1.041 725 D HN 0.849 nan 8.370 nan 0.000 0.422 726 S N -2.367 113.391 115.700 0.097 0.000 3.491 726 S HA -0.280 4.190 4.470 0.000 0.000 0.371 726 S C 0.919 175.557 174.600 0.063 0.000 0.980 726 S CA 2.033 60.270 58.200 0.062 0.000 1.204 726 S CB -2.110 61.118 63.200 0.047 0.000 0.915 726 S HN 1.473 nan 8.310 nan 0.000 0.482 727 S N -3.228 112.522 115.700 0.084 0.000 1.773 727 S HA 0.169 4.639 4.470 0.000 0.000 0.203 727 S C -0.106 174.551 174.600 0.094 0.000 0.762 727 S CA 0.284 58.529 58.200 0.074 0.000 1.503 727 S CB -0.116 63.123 63.200 0.065 0.000 0.926 727 S HN 1.076 nan 8.310 nan 0.000 0.380 728 V N 3.564 123.564 119.914 0.144 0.000 2.368 728 V HA 0.642 4.762 4.120 0.000 0.000 0.266 728 V C 0.426 176.659 176.094 0.232 0.000 1.045 728 V CA -0.151 62.254 62.300 0.176 0.000 0.899 728 V CB 0.923 32.870 31.823 0.206 0.000 1.006 728 V HN 0.551 nan 8.190 nan 0.000 0.470 729 S N 5.161 120.967 115.700 0.176 0.000 2.548 729 S HA 0.416 4.886 4.470 0.000 0.000 0.277 729 S C -0.896 173.883 174.600 0.298 0.000 1.315 729 S CA -0.425 57.888 58.200 0.189 0.000 1.050 729 S CB 0.357 63.607 63.200 0.083 0.000 0.918 729 S HN 0.663 nan 8.310 nan 0.000 0.497 730 W N 6.468 127.903 121.300 0.224 0.000 2.702 730 W HA 0.517 5.177 4.660 0.000 0.000 0.331 730 W C -1.966 174.752 176.519 0.332 0.000 1.049 730 W CA -2.146 55.404 57.345 0.341 0.000 1.230 730 W CB 1.653 31.484 29.460 0.619 0.000 1.408 730 W HN 0.513 nan 8.180 nan 0.000 0.492 731 P HA 0.096 nan 4.420 nan 0.000 0.241 731 P C 0.915 177.934 177.300 -0.469 0.000 1.191 731 P CA 1.425 63.735 63.100 -1.316 0.000 0.771 731 P CB 0.316 31.237 31.700 -1.299 0.000 0.929 732 G N 1.893 110.558 108.800 -0.226 0.000 2.581 732 G HA2 -0.365 3.595 3.960 0.000 0.000 0.291 732 G HA3 -0.365 3.595 3.960 0.000 0.000 0.291 732 G C 0.381 175.198 174.900 -0.138 0.000 1.277 732 G CA 0.341 45.372 45.100 -0.115 0.000 0.959 732 G HN 0.326 nan 8.290 nan 0.000 0.554 733 N N 0.125 118.773 118.700 -0.087 0.000 2.681 733 N HA -0.211 4.529 4.740 0.000 0.000 0.250 733 N C 0.637 176.101 175.510 -0.076 0.000 1.133 733 N CA 2.508 55.509 53.050 -0.081 0.000 0.732 733 N CB -0.871 37.555 38.487 -0.103 0.000 1.107 733 N HN 1.569 nan 8.380 nan 0.000 0.559 734 D N -1.395 118.962 120.400 -0.073 0.000 2.751 734 D HA -0.223 4.417 4.640 0.000 0.000 0.233 734 D C 1.158 177.425 176.300 -0.056 0.000 1.149 734 D CA 1.162 55.127 54.000 -0.058 0.000 0.682 734 D CB -0.178 40.600 40.800 -0.037 0.000 1.068 734 D HN 0.396 nan 8.370 nan 0.000 0.429 735 R N -0.525 119.926 120.500 -0.082 0.000 2.062 735 R HA 0.119 4.459 4.340 0.000 0.000 0.226 735 R C 1.103 177.391 176.300 -0.020 0.000 1.125 735 R CA 0.574 56.641 56.100 -0.055 0.000 0.966 735 R CB -0.084 30.163 30.300 -0.088 0.000 0.861 735 R HN 0.330 nan 8.270 nan 0.000 0.433 736 L N 1.255 122.436 121.223 -0.071 0.000 2.421 736 L HA 0.166 4.506 4.340 0.000 0.000 0.263 736 L C 1.934 178.799 176.870 -0.009 0.000 1.122 736 L CA -0.433 54.371 54.840 -0.060 0.000 0.804 736 L CB 0.602 42.539 42.059 -0.202 0.000 1.150 736 L HN 0.003 nan 8.230 nan 0.000 0.457 737 L N 0.599 121.867 121.223 0.075 0.000 2.127 737 L HA -0.124 4.216 4.340 0.000 0.000 0.211 737 L C 1.101 178.004 176.870 0.054 0.000 1.089 737 L CA 1.366 56.319 54.840 0.187 0.000 0.757 737 L CB -0.571 41.845 42.059 0.595 0.000 0.899 737 L HN 0.800 nan 8.230 nan 0.000 0.434 738 T N -4.071 110.439 114.554 -0.073 0.000 3.250 738 T HA 0.271 4.621 4.350 0.000 0.000 0.391 738 T C -1.526 173.087 174.700 -0.145 0.000 1.502 738 T CA -1.877 60.140 62.100 -0.139 0.000 1.320 738 T CB 0.913 69.650 68.868 -0.218 0.000 1.102 738 T HN -0.056 nan 8.240 nan 0.000 0.610 739 P HA -0.184 nan 4.420 nan 0.000 0.218 739 P C 0.841 178.054 177.300 -0.146 0.000 1.150 739 P CA 1.213 64.236 63.100 -0.128 0.000 0.841 739 P CB 0.164 31.817 31.700 -0.079 0.000 0.784 740 N N 0.152 118.781 118.700 -0.118 0.000 2.398 740 N HA 0.003 4.743 4.740 0.000 0.000 0.188 740 N C 0.758 176.207 175.510 -0.102 0.000 1.122 740 N CA 0.541 53.536 53.050 -0.092 0.000 0.866 740 N CB 0.344 38.792 38.487 -0.064 0.000 0.970 740 N HN 0.575 nan 8.380 nan 0.000 0.462 741 E N -1.189 118.913 120.200 -0.162 0.000 2.422 741 E HA 0.209 4.559 4.350 0.000 0.000 0.280 741 E C -1.618 174.854 176.600 -0.213 0.000 1.091 741 E CA -0.755 55.570 56.400 -0.125 0.000 0.849 741 E CB 0.290 29.933 29.700 -0.095 0.000 1.353 741 E HN -0.243 nan 8.360 nan 0.000 0.449 742 F N 1.372 121.246 119.950 -0.127 0.000 2.350 742 F HA 0.282 4.809 4.527 0.000 0.000 0.365 742 F C 0.201 175.877 175.800 -0.207 0.000 1.122 742 F CA -0.387 57.555 58.000 -0.097 0.000 1.139 742 F CB 1.256 40.238 39.000 -0.030 0.000 1.220 742 F HN 0.239 nan 8.300 nan 0.000 0.499 743 E N 4.671 124.837 120.200 -0.057 0.000 2.130 743 E HA 0.213 4.563 4.350 0.000 0.000 0.284 743 E C 0.779 177.248 176.600 -0.217 0.000 1.018 743 E CA -0.131 56.185 56.400 -0.141 0.000 0.817 743 E CB 1.512 31.134 29.700 -0.129 0.000 1.078 743 E HN 0.688 nan 8.360 nan 0.000 0.396 744 I N 2.840 123.139 120.570 -0.451 0.000 2.333 744 I HA -0.142 4.028 4.170 0.000 0.000 0.246 744 I C 0.840 176.795 176.117 -0.270 0.000 1.106 744 I CA 1.088 61.902 61.300 -0.809 0.000 1.411 744 I CB 0.063 37.390 38.000 -1.122 0.000 1.082 744 I HN 0.408 nan 8.210 nan 0.000 0.420 745 K N 0.453 120.801 120.400 -0.087 0.000 2.532 745 K HA 0.662 4.982 4.320 0.000 0.000 0.265 745 K C -0.981 175.646 176.600 0.045 0.000 0.948 745 K CA -0.904 55.429 56.287 0.078 0.000 0.842 745 K CB 2.105 34.741 32.500 0.227 0.000 1.392 745 K HN -0.156 nan 8.250 nan 0.000 0.436 746 R N 0.505 121.051 120.500 0.077 0.000 2.740 746 R HA 0.368 4.708 4.340 0.000 0.000 0.282 746 R C -0.986 175.356 176.300 0.071 0.000 0.969 746 R CA -1.100 55.029 56.100 0.048 0.000 0.918 746 R CB 2.311 32.633 30.300 0.037 0.000 1.175 746 R HN 0.884 nan 8.270 nan 0.000 0.464 747 S N 0.838 116.568 115.700 0.049 0.000 2.423 747 S HA 0.193 4.663 4.470 0.000 0.000 0.317 747 S C 1.197 175.826 174.600 0.049 0.000 1.065 747 S CA -0.703 57.530 58.200 0.055 0.000 1.111 747 S CB 1.068 64.293 63.200 0.042 0.000 0.968 747 S HN 0.535 nan 8.310 nan 0.000 0.474 748 V N 1.978 121.928 119.914 0.060 0.000 0.575 748 V HA -0.458 3.662 4.120 0.000 0.000 0.092 748 V C 2.089 178.211 176.094 0.046 0.000 1.949 748 V CA 2.552 64.883 62.300 0.052 0.000 3.444 748 V CB -1.920 29.926 31.823 0.040 0.000 0.743 748 V HN 0.843 nan 8.190 nan 0.000 0.767 749 D N 0.910 121.332 120.400 0.036 0.000 2.203 749 D HA -0.078 4.562 4.640 0.000 0.000 0.199 749 D C 1.592 177.917 176.300 0.043 0.000 0.997 749 D CA 1.958 55.977 54.000 0.031 0.000 0.863 749 D CB -0.335 40.476 40.800 0.018 0.000 0.928 749 D HN 0.776 nan 8.370 nan 0.000 0.458 750 G N -0.009 108.822 108.800 0.052 0.000 4.547 750 G HA2 0.050 4.010 3.960 0.000 0.000 0.301 750 G HA3 0.050 4.010 3.960 0.000 0.000 0.301 750 G C 0.911 175.890 174.900 0.131 0.000 1.240 750 G CA -0.366 44.784 45.100 0.084 0.000 0.970 750 G HN -0.048 nan 8.290 nan 0.000 0.574 751 E N 0.729 120.991 120.200 0.104 0.000 2.160 751 E HA -0.120 4.230 4.350 0.000 0.000 0.195 751 E C 2.538 179.201 176.600 0.106 0.000 0.991 751 E CA 1.180 57.640 56.400 0.100 0.000 0.810 751 E CB 0.002 29.745 29.700 0.071 0.000 0.742 751 E HN 0.452 nan 8.360 nan 0.000 0.466 752 G N -0.082 108.781 108.800 0.105 0.000 2.442 752 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 752 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 752 G C 1.387 176.316 174.900 0.047 0.000 1.141 752 G CA 0.592 45.727 45.100 0.057 0.000 0.763 752 G HN 0.268 nan 8.290 nan 0.000 0.554 753 Y N 1.282 121.601 120.300 0.031 0.000 2.224 753 Y HA -0.018 4.532 4.550 0.000 0.000 0.289 753 Y C 1.220 177.145 175.900 0.042 0.000 1.146 753 Y CA 0.707 58.828 58.100 0.036 0.000 1.182 753 Y CB -0.150 38.330 38.460 0.033 0.000 0.983 753 Y HN 0.082 nan 8.280 nan 0.000 0.524 754 N N 0.387 119.204 118.700 0.195 0.000 2.454 754 N HA 0.163 4.903 4.740 0.000 0.000 0.254 754 N C -0.182 175.368 175.510 0.067 0.000 1.228 754 N CA 0.342 53.472 53.050 0.134 0.000 0.900 754 N CB 0.866 39.431 38.487 0.129 0.000 1.089 754 N HN 0.045 nan 8.380 nan 0.000 0.449 755 V N -2.209 117.717 119.914 0.021 0.000 3.182 755 V HA 0.843 4.963 4.120 0.000 0.000 0.311 755 V C 0.940 176.966 176.094 -0.113 0.000 1.221 755 V CA -0.701 61.552 62.300 -0.078 0.000 1.060 755 V CB 0.671 32.374 31.823 -0.201 0.000 1.164 755 V HN 0.729 nan 8.190 nan 0.000 0.466 756 A N -0.697 121.998 122.820 -0.208 0.000 2.799 756 A HA -0.293 4.027 4.320 0.000 0.000 0.274 756 A C 0.997 178.566 177.584 -0.025 0.000 1.393 756 A CA 1.817 53.761 52.037 -0.156 0.000 0.909 756 A CB -2.464 16.420 19.000 -0.194 0.000 1.012 756 A HN 1.646 nan 8.150 nan 0.000 0.653 757 Q N -4.234 115.563 119.800 -0.005 0.000 2.487 757 Q HA -0.259 4.081 4.340 0.000 0.000 0.279 757 Q C 0.299 176.337 176.000 0.064 0.000 1.228 757 Q CA 1.112 56.931 55.803 0.027 0.000 0.873 757 Q CB -2.721 26.025 28.738 0.014 0.000 1.260 757 Q HN 2.149 nan 8.270 nan 0.000 0.471 758 C N -2.722 116.639 119.300 0.101 0.000 3.292 758 C HA 0.564 5.024 4.460 0.000 0.000 0.369 758 C C 1.256 176.367 174.990 0.202 0.000 1.664 758 C CA -0.265 58.856 59.018 0.171 0.000 1.204 758 C CB 0.829 28.697 27.740 0.214 0.000 1.978 758 C HN 0.474 nan 8.230 nan 0.000 0.435 759 N N 0.646 119.515 118.700 0.282 0.000 2.449 759 N HA 0.030 4.770 4.740 0.000 0.000 0.191 759 N C 0.225 175.900 175.510 0.276 0.000 1.161 759 N CA 0.066 53.272 53.050 0.261 0.000 0.863 759 N CB -0.277 38.366 38.487 0.260 0.000 0.980 759 N HN 0.893 nan 8.380 nan 0.000 0.458 760 M N 1.734 121.498 119.600 0.274 0.000 2.242 760 M HA 0.075 4.555 4.480 0.000 0.000 0.344 760 M C 0.154 176.551 176.300 0.162 0.000 1.140 760 M CA -0.269 55.149 55.300 0.198 0.000 1.160 760 M CB 0.859 33.519 32.600 0.099 0.000 1.491 760 M HN 0.205 nan 8.290 nan 0.000 0.459 761 T N 1.167 115.823 114.554 0.171 0.000 2.899 761 T HA 0.313 4.663 4.350 0.000 0.000 0.284 761 T C 0.740 175.567 174.700 0.212 0.000 1.004 761 T CA -0.677 61.536 62.100 0.189 0.000 1.043 761 T CB 1.128 70.091 68.868 0.158 0.000 1.013 761 T HN 0.798 nan 8.240 nan 0.000 0.518 762 K N 0.488 121.024 120.400 0.226 0.000 2.057 762 K HA -0.121 4.199 4.320 0.000 0.000 0.207 762 K C 1.824 178.558 176.600 0.223 0.000 1.049 762 K CA 1.583 57.995 56.287 0.208 0.000 0.931 762 K CB -0.193 32.413 32.500 0.178 0.000 0.714 762 K HN 0.600 nan 8.250 nan 0.000 0.440 763 D N 0.222 120.752 120.400 0.215 0.000 2.106 763 D HA -0.231 4.409 4.640 0.000 0.000 0.191 763 D C 1.487 177.862 176.300 0.124 0.000 0.997 763 D CA 0.921 55.010 54.000 0.147 0.000 0.834 763 D CB -0.283 40.584 40.800 0.110 0.000 0.956 763 D HN 0.373 nan 8.370 nan 0.000 0.448 764 W N 0.326 121.590 121.300 -0.060 0.000 2.388 764 W HA -0.212 4.448 4.660 0.000 0.000 0.294 764 W C 2.039 178.415 176.519 -0.237 0.000 1.212 764 W CA 0.373 57.615 57.345 -0.171 0.000 1.271 764 W CB -0.408 28.923 29.460 -0.215 0.000 1.126 764 W HN -0.089 nan 8.180 nan 0.000 0.535 765 F N 1.243 121.072 119.950 -0.203 0.000 2.171 765 F HA -0.231 4.296 4.527 0.000 0.000 0.300 765 F C 2.245 177.844 175.800 -0.334 0.000 1.090 765 F CA 1.764 59.550 58.000 -0.357 0.000 1.293 765 F CB -0.984 37.843 39.000 -0.289 0.000 1.013 765 F HN -0.147 nan 8.300 nan 0.000 0.486 766 L N -0.224 120.905 121.223 -0.155 0.000 2.027 766 L HA -0.118 4.222 4.340 0.000 0.000 0.206 766 L C 2.170 178.836 176.870 -0.340 0.000 1.074 766 L CA 1.698 56.487 54.840 -0.085 0.000 0.745 766 L CB -1.013 41.096 42.059 0.083 0.000 0.898 766 L HN 0.028 nan 8.230 nan 0.000 0.433 767 V N -0.305 119.324 119.914 -0.475 0.000 2.343 767 V HA -0.250 3.870 4.120 0.000 0.000 0.247 767 V C 2.677 178.317 176.094 -0.757 0.000 1.051 767 V CA 1.646 63.544 62.300 -0.669 0.000 1.036 767 V CB -0.802 30.539 31.823 -0.803 0.000 0.654 767 V HN 0.503 nan 8.190 nan 0.000 0.451 768 Q N -0.993 118.186 119.800 -1.035 0.000 2.119 768 Q HA -0.090 4.250 4.340 0.000 0.000 0.201 768 Q C 2.231 177.791 176.000 -0.733 0.000 0.972 768 Q CA 1.257 56.400 55.803 -1.100 0.000 0.847 768 Q CB -0.419 27.250 28.738 -1.782 0.000 0.903 768 Q HN 0.463 nan 8.270 nan 0.000 0.433 769 M N -0.017 119.210 119.600 -0.623 0.000 2.175 769 M HA -0.065 4.415 4.480 0.000 0.000 0.264 769 M C 2.269 178.456 176.300 -0.188 0.000 1.063 769 M CA 1.079 56.218 55.300 -0.268 0.000 1.119 769 M CB -0.869 31.540 32.600 -0.318 0.000 1.377 769 M HN 0.160 nan 8.290 nan 0.000 0.415 770 L N -0.412 120.655 121.223 -0.260 0.000 2.027 770 L HA -0.126 4.214 4.340 0.000 0.000 0.206 770 L C 2.707 179.480 176.870 -0.161 0.000 1.074 770 L CA 1.153 55.887 54.840 -0.177 0.000 0.745 770 L CB -0.899 41.067 42.059 -0.154 0.000 0.898 770 L HN 0.243 nan 8.230 nan 0.000 0.433 771 A N 0.224 122.900 122.820 -0.239 0.000 1.940 771 A HA -0.230 4.090 4.320 0.000 0.000 0.219 771 A C 1.965 179.371 177.584 -0.296 0.000 1.176 771 A CA 2.372 54.273 52.037 -0.226 0.000 0.631 771 A CB -0.642 18.182 19.000 -0.294 0.000 0.814 771 A HN 0.483 nan 8.150 nan 0.000 0.446 772 N N -2.408 116.011 118.700 -0.468 0.000 2.336 772 N HA 0.057 4.797 4.740 0.000 0.000 0.177 772 N C 0.552 175.551 175.510 -0.852 0.000 1.018 772 N CA 1.339 53.922 53.050 -0.779 0.000 0.878 772 N CB 0.001 37.726 38.487 -1.271 0.000 0.997 772 N HN 0.623 nan 8.380 nan 0.000 0.433 773 Y N -1.422 118.823 120.300 -0.092 0.000 2.610 773 Y HA 0.396 4.946 4.550 0.000 0.000 0.254 773 Y C -0.085 175.766 175.900 -0.083 0.000 1.110 773 Y CA -0.748 57.296 58.100 -0.093 0.000 1.238 773 Y CB -0.478 37.901 38.460 -0.135 0.000 1.322 773 Y HN -0.104 nan 8.280 nan 0.000 0.547 774 N N 0.671 119.378 118.700 0.013 0.000 2.782 774 N HA -0.190 4.550 4.740 0.000 0.000 0.251 774 N C -0.716 174.790 175.510 -0.008 0.000 1.101 774 N CA 0.341 53.401 53.050 0.016 0.000 0.764 774 N CB -1.002 37.517 38.487 0.053 0.000 1.122 774 N HN 0.261 nan 8.380 nan 0.000 0.561 775 I N -0.193 120.345 120.570 -0.053 0.000 2.353 775 I HA 0.415 4.585 4.170 0.000 0.000 0.293 775 I C 1.395 177.369 176.117 -0.238 0.000 0.992 775 I CA 0.367 61.567 61.300 -0.167 0.000 1.268 775 I CB 1.582 39.397 38.000 -0.308 0.000 1.387 775 I HN 0.272 nan 8.210 nan 0.000 0.478 776 G N 3.952 112.528 108.800 -0.373 0.000 3.819 776 G HA2 -0.183 3.777 3.960 0.000 0.000 0.210 776 G HA3 -0.183 3.777 3.960 0.000 0.000 0.210 776 G C 0.395 174.913 174.900 -0.637 0.000 1.018 776 G CA -0.247 44.463 45.100 -0.650 0.000 0.882 776 G HN 0.461 nan 8.290 nan 0.000 0.377 777 Y N 1.349 121.537 120.300 -0.187 0.000 2.544 777 Y HA 0.382 4.932 4.550 0.000 0.000 0.286 777 Y C 2.083 177.914 175.900 -0.116 0.000 1.141 777 Y CA 1.087 59.108 58.100 -0.132 0.000 1.299 777 Y CB 0.528 38.949 38.460 -0.065 0.000 1.030 777 Y HN 0.250 nan 8.280 nan 0.000 0.543 778 Q N -0.058 119.748 119.800 0.011 0.000 2.333 778 Q HA 0.437 4.777 4.340 0.000 0.000 0.365 778 Q C -0.075 175.943 176.000 0.029 0.000 0.882 778 Q CA -0.113 55.709 55.803 0.031 0.000 1.124 778 Q CB 1.062 29.846 28.738 0.076 0.000 1.345 778 Q HN 0.358 nan 8.270 nan 0.000 0.409 779 G N 0.510 109.245 108.800 -0.109 0.000 2.675 779 G HA2 -0.173 3.787 3.960 0.000 0.000 0.686 779 G HA3 -0.173 3.787 3.960 0.000 0.000 0.686 779 G C -1.205 173.611 174.900 -0.140 0.000 1.215 779 G CA -1.052 44.009 45.100 -0.064 0.000 0.777 779 G HN 0.130 nan 8.290 nan 0.000 0.638 780 F N 1.425 121.436 119.950 0.101 0.000 2.436 780 F HA 0.826 5.353 4.527 0.000 0.000 0.340 780 F C 0.669 176.503 175.800 0.056 0.000 1.113 780 F CA -0.435 57.558 58.000 -0.012 0.000 1.022 780 F CB 1.592 40.675 39.000 0.139 0.000 1.128 780 F HN 0.736 nan 8.300 nan 0.000 0.466 781 Y N 0.101 120.495 120.300 0.157 0.000 2.656 781 Y HA 0.618 5.168 4.550 0.000 0.000 0.334 781 Y C -1.042 174.733 175.900 -0.207 0.000 1.179 781 Y CA -2.094 56.004 58.100 -0.004 0.000 1.050 781 Y CB 0.478 38.920 38.460 -0.030 0.000 1.308 781 Y HN 0.341 nan 8.280 nan 0.000 0.456 782 I N 4.771 125.259 120.570 -0.138 0.000 2.668 782 I HA 0.125 4.295 4.170 0.000 0.000 0.285 782 I C -1.908 173.967 176.117 -0.403 0.000 1.168 782 I CA -1.431 59.544 61.300 -0.541 0.000 1.424 782 I CB 0.504 38.313 38.000 -0.318 0.000 1.377 782 I HN 0.416 nan 8.210 nan 0.000 0.560 783 P HA 0.106 nan 4.420 nan 0.000 0.272 783 P C -0.704 176.363 177.300 -0.389 0.000 1.230 783 P CA -0.401 62.330 63.100 -0.615 0.000 0.788 783 P CB 0.567 31.497 31.700 -1.284 0.000 0.949 784 E N 0.350 120.362 120.200 -0.314 0.000 2.414 784 E HA 0.027 4.377 4.350 0.000 0.000 0.263 784 E C 1.335 177.738 176.600 -0.328 0.000 1.000 784 E CA -0.009 56.219 56.400 -0.287 0.000 0.914 784 E CB 0.159 29.631 29.700 -0.380 0.000 0.948 784 E HN 0.301 nan 8.360 nan 0.000 0.444 785 S N 2.322 117.946 115.700 -0.126 0.000 2.381 785 S HA -0.296 4.174 4.470 0.000 0.000 0.230 785 S C 1.777 176.368 174.600 -0.015 0.000 1.052 785 S CA 2.000 60.177 58.200 -0.038 0.000 1.068 785 S CB -0.524 62.702 63.200 0.043 0.000 0.918 785 S HN 0.694 nan 8.310 nan 0.000 0.448 786 Y N 1.151 121.462 120.300 0.018 0.000 2.497 786 Y HA 0.162 4.712 4.550 0.000 0.000 0.292 786 Y C 1.649 177.586 175.900 0.062 0.000 1.137 786 Y CA 0.595 58.713 58.100 0.030 0.000 1.285 786 Y CB -0.443 38.030 38.460 0.022 0.000 0.991 786 Y HN 0.087 nan 8.280 nan 0.000 0.556 787 K N -0.347 119.828 120.400 -0.376 0.000 2.352 787 K HA 0.007 4.327 4.320 0.000 0.000 0.194 787 K C -0.138 176.534 176.600 0.121 0.000 1.038 787 K CA 0.539 56.752 56.287 -0.124 0.000 1.023 787 K CB 0.258 32.634 32.500 -0.206 0.000 0.840 787 K HN 0.117 nan 8.250 nan 0.000 0.519 788 D N 2.128 122.554 120.400 0.044 0.000 2.638 788 D HA 0.046 4.686 4.640 0.000 0.000 0.245 788 D C -0.051 176.319 176.300 0.117 0.000 1.176 788 D CA -0.259 53.834 54.000 0.156 0.000 0.996 788 D CB 0.233 41.034 40.800 0.002 0.000 1.012 788 D HN -0.092 nan 8.370 nan 0.000 0.515 789 R N 1.106 121.680 120.500 0.125 0.000 2.954 789 R HA 0.118 4.458 4.340 0.000 0.000 0.276 789 R C 1.543 177.850 176.300 0.012 0.000 1.218 789 R CA -0.498 55.640 56.100 0.063 0.000 1.149 789 R CB -0.328 30.018 30.300 0.078 0.000 1.112 789 R HN 0.342 nan 8.270 nan 0.000 0.577 790 M N 0.065 119.601 119.600 -0.108 0.000 2.159 790 M HA -0.127 4.353 4.480 0.000 0.000 0.263 790 M C 0.421 176.555 176.300 -0.277 0.000 1.063 790 M CA 1.849 56.985 55.300 -0.273 0.000 1.110 790 M CB 0.116 32.405 32.600 -0.518 0.000 1.374 790 M HN 0.419 nan 8.290 nan 0.000 0.411 791 Y N -0.166 120.172 120.300 0.064 0.000 2.571 791 Y HA 0.336 4.886 4.550 0.000 0.000 0.275 791 Y C 0.736 176.686 175.900 0.083 0.000 1.179 791 Y CA -0.577 57.570 58.100 0.079 0.000 1.242 791 Y CB -0.357 38.148 38.460 0.074 0.000 1.126 791 Y HN 0.016 nan 8.280 nan 0.000 0.524 792 S N 0.210 116.028 115.700 0.197 0.000 2.632 792 S HA 0.062 4.532 4.470 0.000 0.000 0.267 792 S C 0.953 175.698 174.600 0.242 0.000 1.276 792 S CA -0.664 57.657 58.200 0.202 0.000 0.998 792 S CB 0.613 63.969 63.200 0.259 0.000 0.953 792 S HN 0.375 nan 8.310 nan 0.000 0.547 793 F N 1.605 121.624 119.950 0.115 0.000 2.031 793 F HA -0.078 4.449 4.527 0.000 0.000 0.295 793 F C 1.828 177.782 175.800 0.257 0.000 1.133 793 F CA 1.373 59.452 58.000 0.131 0.000 1.188 793 F CB -0.769 38.247 39.000 0.026 0.000 0.974 793 F HN 0.647 nan 8.300 nan 0.000 0.473 794 F N 1.416 121.210 119.950 -0.261 0.000 2.065 794 F HA -0.233 4.294 4.527 0.000 0.000 0.298 794 F C 2.745 178.470 175.800 -0.125 0.000 1.112 794 F CA 2.318 60.108 58.000 -0.350 0.000 1.212 794 F CB -0.670 38.238 39.000 -0.154 0.000 0.975 794 F HN 0.018 nan 8.300 nan 0.000 0.476 795 R N 0.891 121.438 120.500 0.079 0.000 2.154 795 R HA -0.193 4.147 4.340 0.000 0.000 0.248 795 R C 1.318 177.572 176.300 -0.076 0.000 1.155 795 R CA 2.224 58.331 56.100 0.013 0.000 0.979 795 R CB -0.714 29.632 30.300 0.077 0.000 0.869 795 R HN 0.356 nan 8.270 nan 0.000 0.452 796 N N -0.795 117.877 118.700 -0.047 0.000 2.205 796 N HA -0.030 4.710 4.740 0.000 0.000 0.201 796 N C -0.766 174.765 175.510 0.036 0.000 1.128 796 N CA -0.086 52.973 53.050 0.016 0.000 0.867 796 N CB 0.263 38.817 38.487 0.112 0.000 0.996 796 N HN 0.079 nan 8.380 nan 0.000 0.503 797 F N 3.091 122.846 119.950 -0.324 0.000 2.471 797 F HA 0.175 4.702 4.527 0.000 0.000 0.365 797 F C -0.031 175.651 175.800 -0.197 0.000 1.095 797 F CA -0.250 57.574 58.000 -0.292 0.000 1.174 797 F CB 0.529 39.127 39.000 -0.670 0.000 1.105 797 F HN -0.171 nan 8.300 nan 0.000 0.535 798 Q N 8.916 128.466 119.800 -0.417 0.000 2.674 798 Q HA 0.279 4.619 4.340 0.000 0.000 0.249 798 Q C -2.642 173.106 176.000 -0.419 0.000 1.011 798 Q CA -1.932 53.623 55.803 -0.413 0.000 0.734 798 Q CB 1.444 30.084 28.738 -0.162 0.000 1.201 798 Q HN 0.449 nan 8.270 nan 0.000 0.498 799 P HA 0.268 nan 4.420 nan 0.000 0.275 799 P C -0.516 176.716 177.300 -0.113 0.000 1.227 799 P CA -0.106 62.802 63.100 -0.321 0.000 0.781 799 P CB 1.073 32.544 31.700 -0.381 0.000 0.906 800 M N 1.129 120.740 119.600 0.017 0.000 2.531 800 M HA 0.440 4.920 4.480 0.000 0.000 0.286 800 M C -0.459 176.045 176.300 0.339 0.000 1.232 800 M CA -0.364 55.013 55.300 0.127 0.000 0.877 800 M CB 2.714 35.323 32.600 0.016 0.000 1.726 800 M HN 0.195 nan 8.290 nan 0.000 0.463 801 S N 0.528 116.474 115.700 0.410 0.000 2.579 801 S HA 0.874 5.344 4.470 0.000 0.000 0.272 801 S C -1.475 173.175 174.600 0.082 0.000 1.141 801 S CA -0.954 57.427 58.200 0.302 0.000 0.843 801 S CB 2.733 66.010 63.200 0.129 0.000 1.122 801 S HN 0.792 nan 8.310 nan 0.000 0.468 802 R N 0.608 120.950 120.500 -0.264 0.000 2.728 802 R HA 0.695 5.035 4.340 0.000 0.000 0.274 802 R C -2.118 173.965 176.300 -0.361 0.000 1.030 802 R CA -0.956 54.877 56.100 -0.445 0.000 0.876 802 R CB 0.739 30.425 30.300 -1.022 0.000 1.259 802 R HN 0.417 nan 8.270 nan 0.000 0.468 803 Q N 0.219 119.849 119.800 -0.283 0.000 2.351 803 Q HA 0.714 5.054 4.340 0.000 0.000 0.273 803 Q C -1.177 174.696 176.000 -0.211 0.000 1.077 803 Q CA -0.680 55.000 55.803 -0.206 0.000 0.843 803 Q CB 2.895 31.550 28.738 -0.137 0.000 1.367 803 Q HN 0.610 nan 8.270 nan 0.000 0.449 804 V N -2.231 117.583 119.914 -0.165 0.000 3.120 804 V HA 0.698 4.818 4.120 0.000 0.000 0.303 804 V C -0.364 175.659 176.094 -0.118 0.000 1.238 804 V CA -1.412 60.812 62.300 -0.127 0.000 1.008 804 V CB 1.222 32.978 31.823 -0.112 0.000 1.064 804 V HN 0.650 nan 8.190 nan 0.000 0.434 805 V N -0.441 119.412 119.914 -0.102 0.000 2.720 805 V HA 0.194 4.314 4.120 0.000 0.000 0.307 805 V C 0.392 176.376 176.094 -0.184 0.000 1.071 805 V CA 0.443 62.635 62.300 -0.181 0.000 1.199 805 V CB 0.267 31.974 31.823 -0.193 0.000 0.900 805 V HN 1.056 nan 8.190 nan 0.000 0.494 806 D N 4.317 124.605 120.400 -0.186 0.000 2.374 806 D HA 0.043 4.683 4.640 0.000 0.000 0.240 806 D C 1.101 177.255 176.300 -0.243 0.000 1.229 806 D CA -0.067 53.834 54.000 -0.164 0.000 0.895 806 D CB 0.967 41.707 40.800 -0.100 0.000 1.046 806 D HN 0.863 nan 8.370 nan 0.000 0.498 807 D N 1.568 121.714 120.400 -0.423 0.000 2.384 807 D HA -0.160 4.480 4.640 0.000 0.000 0.222 807 D C 1.166 177.236 176.300 -0.383 0.000 0.976 807 D CA 0.631 54.143 54.000 -0.813 0.000 0.915 807 D CB -0.070 40.143 40.800 -0.978 0.000 0.896 807 D HN 0.414 nan 8.370 nan 0.000 0.523 808 T N -3.531 110.909 114.554 -0.190 0.000 3.044 808 T HA 0.254 4.604 4.350 0.000 0.000 0.260 808 T C 1.398 176.071 174.700 -0.045 0.000 1.019 808 T CA -0.406 61.640 62.100 -0.090 0.000 0.921 808 T CB 0.356 69.185 68.868 -0.066 0.000 1.053 808 T HN 0.023 nan 8.240 nan 0.000 0.533 809 K N -0.496 119.885 120.400 -0.032 0.000 2.502 809 K HA 0.221 4.541 4.320 0.000 0.000 0.211 809 K C -0.652 175.984 176.600 0.059 0.000 1.259 809 K CA -0.401 55.889 56.287 0.004 0.000 0.983 809 K CB 0.708 33.206 32.500 -0.003 0.000 1.054 809 K HN 0.300 nan 8.250 nan 0.000 0.572 810 Y N 3.439 123.687 120.300 -0.086 0.000 2.556 810 Y HA 0.103 4.653 4.550 0.000 0.000 0.352 810 Y C 0.843 176.736 175.900 -0.011 0.000 1.006 810 Y CA -0.596 57.463 58.100 -0.068 0.000 1.277 810 Y CB 0.265 38.649 38.460 -0.125 0.000 1.136 810 Y HN -0.102 nan 8.280 nan 0.000 0.523 811 K N 2.292 122.519 120.400 -0.289 0.000 2.077 811 K HA -0.223 4.097 4.320 0.000 0.000 0.213 811 K C 0.579 176.933 176.600 -0.409 0.000 1.051 811 K CA 2.156 58.270 56.287 -0.288 0.000 0.929 811 K CB 0.076 32.455 32.500 -0.202 0.000 0.715 811 K HN 0.689 nan 8.250 nan 0.000 0.451 812 D N -0.231 119.667 120.400 -0.837 0.000 2.319 812 D HA -0.060 4.580 4.640 0.000 0.000 0.230 812 D C -0.039 176.053 176.300 -0.345 0.000 1.094 812 D CA 0.025 53.691 54.000 -0.556 0.000 0.856 812 D CB -0.321 40.212 40.800 -0.445 0.000 0.915 812 D HN 0.139 nan 8.370 nan 0.000 0.517 813 Y N 2.354 122.406 120.300 -0.413 0.000 2.811 813 Y HA -0.060 4.490 4.550 0.000 0.000 0.334 813 Y C 0.095 176.055 175.900 0.099 0.000 1.247 813 Y CA 0.527 58.628 58.100 0.001 0.000 1.526 813 Y CB 0.354 38.842 38.460 0.046 0.000 1.284 813 Y HN -0.154 nan 8.280 nan 0.000 0.586 814 Q N 5.794 125.228 119.800 -0.609 0.000 2.263 814 Q HA 0.147 4.487 4.340 0.000 0.000 0.266 814 Q C -1.339 174.264 176.000 -0.662 0.000 1.002 814 Q CA -0.705 54.827 55.803 -0.453 0.000 0.790 814 Q CB 2.004 30.675 28.738 -0.110 0.000 1.272 814 Q HN 0.786 nan 8.270 nan 0.000 0.435 815 Q N 2.409 121.918 119.800 -0.484 0.000 2.323 815 Q HA 0.417 4.757 4.340 0.000 0.000 0.257 815 Q C -1.057 174.912 176.000 -0.052 0.000 1.022 815 Q CA -0.163 55.537 55.803 -0.171 0.000 0.919 815 Q CB 0.665 29.449 28.738 0.078 0.000 1.220 815 Q HN 0.360 nan 8.270 nan 0.000 0.427 816 V N 3.644 123.545 119.914 -0.021 0.000 2.487 816 V HA 0.592 4.712 4.120 0.000 0.000 0.298 816 V C 0.552 176.601 176.094 -0.074 0.000 1.028 816 V CA -0.726 61.553 62.300 -0.036 0.000 0.860 816 V CB 1.566 33.344 31.823 -0.075 0.000 0.991 816 V HN 0.859 nan 8.190 nan 0.000 0.427 817 G N 2.275 111.064 108.800 -0.018 0.000 2.522 817 G HA2 0.504 4.464 3.960 0.000 0.000 0.304 817 G HA3 0.504 4.464 3.960 0.000 0.000 0.304 817 G C 0.851 175.677 174.900 -0.123 0.000 1.210 817 G CA -0.537 44.530 45.100 -0.053 0.000 0.960 817 G HN 0.740 nan 8.290 nan 0.000 0.497 818 I N -0.540 119.951 120.570 -0.131 0.000 2.236 818 I HA -0.217 3.953 4.170 0.000 0.000 0.249 818 I C 2.487 178.529 176.117 -0.126 0.000 1.102 818 I CA 1.095 62.314 61.300 -0.136 0.000 1.365 818 I CB -0.987 36.954 38.000 -0.098 0.000 1.051 818 I HN 0.363 nan 8.210 nan 0.000 0.420 819 L N -0.259 120.859 121.223 -0.174 0.000 2.129 819 L HA -0.246 4.094 4.340 0.000 0.000 0.212 819 L C 1.686 178.296 176.870 -0.433 0.000 1.087 819 L CA 1.811 56.464 54.840 -0.312 0.000 0.757 819 L CB -0.710 41.089 42.059 -0.434 0.000 0.896 819 L HN 0.467 nan 8.230 nan 0.000 0.434 820 H N -2.591 116.496 119.070 0.029 0.000 2.785 820 H HA 0.232 4.788 4.556 0.000 0.000 0.268 820 H C -0.124 175.193 175.328 -0.018 0.000 1.153 820 H CA -0.359 55.706 56.048 0.029 0.000 1.111 820 H CB 0.387 30.148 29.762 -0.001 0.000 1.633 820 H HN 0.294 nan 8.280 nan 0.000 0.576 821 Q N 1.368 121.160 119.800 -0.014 0.000 2.243 821 Q HA 0.298 4.638 4.340 0.000 0.000 0.252 821 Q C -0.654 175.372 176.000 0.044 0.000 0.909 821 Q CA -0.667 55.063 55.803 -0.121 0.000 0.922 821 Q CB 1.156 29.686 28.738 -0.346 0.000 1.215 821 Q HN 0.528 nan 8.270 nan 0.000 0.427 822 H N -0.348 118.762 119.070 0.067 0.000 2.840 822 H HA 0.565 5.121 4.556 0.000 0.000 0.340 822 H C -1.463 173.921 175.328 0.094 0.000 1.004 822 H CA -0.953 55.148 56.048 0.090 0.000 1.288 822 H CB 1.089 30.889 29.762 0.063 0.000 1.607 822 H HN 0.430 nan 8.280 nan 0.000 0.522 823 N N 3.146 121.992 118.700 0.243 0.000 2.519 823 N HA 0.182 4.922 4.740 0.000 0.000 0.291 823 N C -0.742 174.934 175.510 0.277 0.000 1.107 823 N CA -0.377 52.777 53.050 0.172 0.000 0.904 823 N CB 0.909 39.351 38.487 -0.076 0.000 1.500 823 N HN 0.869 nan 8.380 nan 0.000 0.510 824 N N 0.219 119.095 118.700 0.293 0.000 2.882 824 N HA -0.156 4.584 4.740 0.000 0.000 0.249 824 N C -0.669 175.048 175.510 0.345 0.000 1.079 824 N CA 1.043 54.328 53.050 0.392 0.000 0.800 824 N CB -1.455 37.231 38.487 0.332 0.000 1.124 824 N HN 0.734 nan 8.380 nan 0.000 0.557 825 S N -0.885 114.944 115.700 0.215 0.000 2.552 825 S HA 0.395 4.865 4.470 0.000 0.000 0.289 825 S C 1.628 176.106 174.600 -0.203 0.000 1.304 825 S CA 0.984 59.206 58.200 0.036 0.000 1.063 825 S CB 1.537 64.729 63.200 -0.013 0.000 0.848 825 S HN 1.029 nan 8.310 nan 0.000 0.499 826 G N 1.976 110.599 108.800 -0.295 0.000 2.268 826 G HA2 -0.256 3.704 3.960 0.000 0.000 0.240 826 G HA3 -0.256 3.704 3.960 0.000 0.000 0.240 826 G C 0.242 174.751 174.900 -0.652 0.000 1.010 826 G CA 0.369 45.129 45.100 -0.566 0.000 0.618 826 G HN 0.778 nan 8.290 nan 0.000 0.516 827 F N 0.544 120.502 119.950 0.013 0.000 2.706 827 F HA 0.610 5.137 4.527 0.000 0.000 0.308 827 F C 0.985 176.785 175.800 0.001 0.000 1.095 827 F CA -0.192 57.813 58.000 0.008 0.000 1.244 827 F CB 0.849 39.862 39.000 0.022 0.000 1.063 827 F HN 0.156 nan 8.300 nan 0.000 0.582 828 V N -0.930 119.056 119.914 0.121 0.000 3.126 828 V HA 0.766 4.886 4.120 0.000 0.000 0.314 828 V C 0.523 176.628 176.094 0.019 0.000 1.138 828 V CA -1.221 61.120 62.300 0.069 0.000 1.034 828 V CB 1.505 33.387 31.823 0.098 0.000 1.075 828 V HN 0.078 nan 8.190 nan 0.000 0.442 829 G N -0.577 108.216 108.800 -0.012 0.000 2.599 829 G HA2 0.365 4.325 3.960 0.000 0.000 0.264 829 G HA3 0.365 4.325 3.960 0.000 0.000 0.264 829 G C -1.243 173.694 174.900 0.061 0.000 1.200 829 G CA -0.147 44.942 45.100 -0.018 0.000 0.896 829 G HN 0.684 nan 8.290 nan 0.000 0.536 830 Y N 1.016 121.268 120.300 -0.080 0.000 2.367 830 Y HA 0.365 4.915 4.550 0.000 0.000 0.342 830 Y C 1.051 176.929 175.900 -0.037 0.000 0.979 830 Y CA -0.962 57.102 58.100 -0.060 0.000 1.161 830 Y CB 0.334 38.746 38.460 -0.079 0.000 1.155 830 Y HN 0.464 nan 8.280 nan 0.000 0.503 831 L N 4.194 125.181 121.223 -0.393 0.000 3.976 831 L HA -0.341 3.999 4.340 0.000 0.000 0.418 831 L C -0.214 176.609 176.870 -0.078 0.000 1.177 831 L CA 0.788 55.415 54.840 -0.354 0.000 0.968 831 L CB -2.055 39.585 42.059 -0.697 0.000 1.933 831 L HN 0.720 nan 8.230 nan 0.000 0.976 832 A N -1.245 121.535 122.820 -0.068 0.000 2.601 832 A HA 0.727 5.047 4.320 0.000 0.000 0.291 832 A C -2.465 175.040 177.584 -0.131 0.000 1.075 832 A CA -0.637 51.372 52.037 -0.047 0.000 0.671 832 A CB 1.211 20.209 19.000 -0.003 0.000 1.277 832 A HN -0.085 nan 8.150 nan 0.000 0.417 833 P HA 0.133 nan 4.420 nan 0.000 0.243 833 P C 0.343 177.511 177.300 -0.219 0.000 1.668 833 P CA 0.494 63.394 63.100 -0.333 0.000 0.898 833 P CB -0.583 30.828 31.700 -0.482 0.000 1.637 834 T N -3.981 110.476 114.554 -0.162 0.000 2.892 834 T HA 0.411 4.761 4.350 0.000 0.000 0.280 834 T C 0.598 175.210 174.700 -0.147 0.000 1.004 834 T CA -1.107 60.902 62.100 -0.153 0.000 0.950 834 T CB 0.488 69.258 68.868 -0.163 0.000 1.309 834 T HN -0.010 nan 8.240 nan 0.000 0.592 835 M N 1.806 121.311 119.600 -0.159 0.000 2.245 835 M HA 0.110 4.590 4.480 0.000 0.000 0.335 835 M C 0.337 176.572 176.300 -0.109 0.000 1.155 835 M CA -0.491 54.730 55.300 -0.132 0.000 1.055 835 M CB 0.419 32.929 32.600 -0.150 0.000 1.670 835 M HN 0.770 nan 8.290 nan 0.000 0.447 836 R N 3.564 124.020 120.500 -0.073 0.000 2.734 836 R HA 0.220 4.560 4.340 0.000 0.000 0.266 836 R C -0.745 175.503 176.300 -0.087 0.000 1.044 836 R CA 0.051 56.118 56.100 -0.055 0.000 1.128 836 R CB 0.034 30.325 30.300 -0.015 0.000 1.010 836 R HN 0.747 nan 8.270 nan 0.000 0.461 837 E N -0.354 119.787 120.200 -0.099 0.000 2.437 837 E HA 0.584 4.934 4.350 0.000 0.000 0.280 837 E C -0.434 176.069 176.600 -0.161 0.000 1.044 837 E CA -1.065 55.260 56.400 -0.126 0.000 0.826 837 E CB 0.988 30.619 29.700 -0.115 0.000 1.358 837 E HN 0.895 nan 8.360 nan 0.000 0.459 838 G N 0.553 109.242 108.800 -0.184 0.000 2.548 838 G HA2 -0.029 3.931 3.960 0.000 0.000 0.208 838 G HA3 -0.029 3.931 3.960 0.000 0.000 0.208 838 G C -1.147 173.603 174.900 -0.249 0.000 1.308 838 G CA -0.059 44.908 45.100 -0.222 0.000 0.924 838 G HN 0.974 nan 8.290 nan 0.000 0.540 839 Q N -0.990 118.649 119.800 -0.269 0.000 2.416 839 Q HA 0.783 5.123 4.340 0.000 0.000 0.281 839 Q C -0.051 175.808 176.000 -0.234 0.000 1.067 839 Q CA -0.371 55.281 55.803 -0.252 0.000 0.809 839 Q CB 1.906 30.526 28.738 -0.197 0.000 1.418 839 Q HN 2.223 nan 8.270 nan 0.000 0.411 840 A N 1.611 124.309 122.820 -0.204 0.000 2.507 840 A HA 0.457 4.777 4.320 0.000 0.000 0.235 840 A C -1.125 176.570 177.584 0.184 0.000 1.070 840 A CA 0.470 52.492 52.037 -0.025 0.000 0.768 840 A CB 0.047 19.118 19.000 0.118 0.000 1.011 840 A HN 0.671 nan 8.150 nan 0.000 0.502 841 Y N 0.311 120.616 120.300 0.010 0.000 2.643 841 Y HA 0.331 4.881 4.550 0.000 0.000 0.347 841 Y C -2.446 173.501 175.900 0.078 0.000 1.208 841 Y CA -1.323 56.776 58.100 -0.003 0.000 1.245 841 Y CB 1.288 39.672 38.460 -0.126 0.000 1.369 841 Y HN 0.663 nan 8.280 nan 0.000 0.487 842 P HA 0.301 nan 4.420 nan 0.000 0.264 842 P C -0.664 176.749 177.300 0.188 0.000 1.183 842 P CA 0.139 63.228 63.100 -0.019 0.000 0.763 842 P CB 0.707 32.318 31.700 -0.148 0.000 0.807 843 A N 3.294 126.190 122.820 0.126 0.000 2.386 843 A HA 0.155 4.475 4.320 0.000 0.000 0.248 843 A C 1.148 178.700 177.584 -0.054 0.000 1.082 843 A CA -0.320 51.771 52.037 0.089 0.000 0.789 843 A CB -0.128 18.860 19.000 -0.020 0.000 1.025 843 A HN 0.719 nan 8.150 nan 0.000 0.490 844 N N -0.247 118.298 118.700 -0.259 0.000 2.177 844 N HA 0.230 4.970 4.740 0.000 0.000 0.218 844 N C -0.760 174.634 175.510 -0.192 0.000 1.182 844 N CA -0.074 52.816 53.050 -0.266 0.000 0.882 844 N CB 0.310 38.533 38.487 -0.440 0.000 1.052 844 N HN 0.418 nan 8.380 nan 0.000 0.519 845 F N 0.946 120.665 119.950 -0.385 0.000 2.650 845 F HA 0.602 5.129 4.527 0.000 0.000 0.310 845 F C -2.881 172.648 175.800 -0.452 0.000 1.112 845 F CA -1.480 56.283 58.000 -0.394 0.000 0.986 845 F CB 2.156 40.978 39.000 -0.297 0.000 1.285 845 F HN -0.198 nan 8.300 nan 0.000 0.440 846 P HA 0.278 nan 4.420 nan 0.000 0.287 846 P C -1.424 175.493 177.300 -0.638 0.000 1.296 846 P CA -0.315 61.972 63.100 -1.355 0.000 0.811 846 P CB 1.252 32.251 31.700 -1.168 0.000 1.211 847 Y N -0.179 119.888 120.300 -0.388 0.000 2.411 847 Y HA 0.200 4.750 4.550 0.000 0.000 0.333 847 Y C -1.442 174.335 175.900 -0.205 0.000 1.186 847 Y CA -1.262 56.711 58.100 -0.211 0.000 1.381 847 Y CB -0.993 37.371 38.460 -0.159 0.000 1.273 847 Y HN 0.213 nan 8.280 nan 0.000 0.546 848 P HA 0.140 nan 4.420 nan 0.000 0.276 848 P C -0.021 177.242 177.300 -0.062 0.000 1.243 848 P CA 0.173 63.252 63.100 -0.035 0.000 0.768 848 P CB 0.583 32.270 31.700 -0.021 0.000 0.856 849 L N 3.331 124.514 121.223 -0.067 0.000 2.640 849 L HA 0.300 4.640 4.340 0.000 0.000 0.230 849 L C 0.934 177.765 176.870 -0.066 0.000 1.123 849 L CA 0.095 54.886 54.840 -0.082 0.000 0.900 849 L CB -0.128 41.882 42.059 -0.083 0.000 1.146 849 L HN 0.387 nan 8.230 nan 0.000 0.484 850 I N -4.050 116.490 120.570 -0.050 0.000 3.042 850 I HA 0.895 5.065 4.170 0.000 0.000 0.310 850 I C 0.423 176.522 176.117 -0.030 0.000 1.117 850 I CA -0.634 60.644 61.300 -0.037 0.000 1.003 850 I CB 1.787 39.770 38.000 -0.029 0.000 1.228 850 I HN 0.045 nan 8.210 nan 0.000 0.443 851 G N 3.265 112.051 108.800 -0.023 0.000 2.693 851 G HA2 -0.230 3.730 3.960 0.000 0.000 0.226 851 G HA3 -0.230 3.730 3.960 0.000 0.000 0.226 851 G C 0.155 175.046 174.900 -0.014 0.000 1.354 851 G CA 0.254 45.344 45.100 -0.016 0.000 0.873 851 G HN 0.924 nan 8.290 nan 0.000 0.562 852 K N -0.230 120.166 120.400 -0.007 0.000 2.097 852 K HA -0.093 4.227 4.320 0.000 0.000 0.206 852 K C 3.000 179.601 176.600 0.002 0.000 1.049 852 K CA 2.299 58.585 56.287 -0.001 0.000 0.933 852 K CB -0.447 32.055 32.500 0.003 0.000 0.717 852 K HN 0.796 nan 8.250 nan 0.000 0.442 853 T N -0.066 114.488 114.554 0.000 0.000 2.788 853 T HA -0.048 4.302 4.350 0.000 0.000 0.268 853 T C 1.115 175.805 174.700 -0.016 0.000 1.044 853 T CA 0.557 62.660 62.100 0.006 0.000 1.139 853 T CB -0.429 68.441 68.868 0.003 0.000 0.867 853 T HN 0.182 nan 8.240 nan 0.000 0.454 854 A N 2.581 125.378 122.820 -0.038 0.000 2.584 854 A HA 0.437 4.757 4.320 0.000 0.000 0.239 854 A C 0.737 178.248 177.584 -0.122 0.000 1.043 854 A CA -0.044 51.947 52.037 -0.077 0.000 0.756 854 A CB -0.416 18.545 19.000 -0.066 0.000 0.963 854 A HN 1.069 nan 8.150 nan 0.000 0.511 855 V N 1.844 121.613 119.914 -0.242 0.000 2.834 855 V HA 0.320 4.440 4.120 0.000 0.000 0.301 855 V C 0.046 175.940 176.094 -0.334 0.000 1.066 855 V CA -1.034 60.971 62.300 -0.493 0.000 1.052 855 V CB 0.964 32.243 31.823 -0.907 0.000 1.021 855 V HN 0.789 nan 8.190 nan 0.000 0.480 856 D N 3.589 123.820 120.400 -0.281 0.000 2.487 856 D HA 0.232 4.872 4.640 0.000 0.000 0.243 856 D C 0.408 176.607 176.300 -0.168 0.000 1.154 856 D CA 0.820 54.746 54.000 -0.124 0.000 0.876 856 D CB 0.976 41.775 40.800 -0.001 0.000 1.161 856 D HN 1.014 nan 8.370 nan 0.000 0.478 857 S N 2.024 117.649 115.700 -0.125 0.000 2.677 857 S HA 0.760 5.230 4.470 0.000 0.000 0.304 857 S C -0.265 174.279 174.600 -0.094 0.000 1.108 857 S CA -0.970 57.155 58.200 -0.125 0.000 0.944 857 S CB 2.207 65.333 63.200 -0.122 0.000 1.127 857 S HN 0.472 nan 8.310 nan 0.000 0.511 858 I N 0.454 120.966 120.570 -0.097 0.000 2.730 858 I HA 0.526 4.696 4.170 0.000 0.000 0.298 858 I C -1.077 174.990 176.117 -0.084 0.000 1.089 858 I CA -0.380 60.875 61.300 -0.076 0.000 1.041 858 I CB 2.376 40.333 38.000 -0.071 0.000 1.235 858 I HN 0.773 nan 8.210 nan 0.000 0.423 859 T N 5.623 120.141 114.554 -0.060 0.000 2.867 859 T HA 0.432 4.782 4.350 0.000 0.000 0.282 859 T C -0.909 173.768 174.700 -0.038 0.000 1.000 859 T CA -0.475 61.588 62.100 -0.062 0.000 1.042 859 T CB 1.267 70.116 68.868 -0.032 0.000 0.973 859 T HN 0.498 nan 8.240 nan 0.000 0.465 860 Q N 1.874 121.637 119.800 -0.063 0.000 2.337 860 Q HA 0.529 4.869 4.340 0.000 0.000 0.270 860 Q C -0.880 175.223 176.000 0.173 0.000 1.043 860 Q CA -0.793 55.032 55.803 0.036 0.000 0.794 860 Q CB 2.777 31.512 28.738 -0.004 0.000 1.281 860 Q HN 0.403 nan 8.270 nan 0.000 0.446 861 K N 1.983 122.532 120.400 0.249 0.000 2.316 861 K HA 0.535 4.855 4.320 0.000 0.000 0.251 861 K C -0.992 175.780 176.600 0.288 0.000 0.934 861 K CA -0.488 55.973 56.287 0.290 0.000 0.802 861 K CB 1.740 34.356 32.500 0.192 0.000 1.171 861 K HN 0.627 nan 8.250 nan 0.000 0.426 862 K N 0.806 121.352 120.400 0.243 0.000 2.544 862 K HA 0.514 4.835 4.320 0.000 0.000 0.282 862 K C -1.536 175.167 176.600 0.172 0.000 1.020 862 K CA -0.948 55.421 56.287 0.136 0.000 0.830 862 K CB 1.070 33.527 32.500 -0.071 0.000 1.521 862 K HN 0.421 nan 8.250 nan 0.000 0.376 863 F N -1.136 118.821 119.950 0.013 0.000 2.741 863 F HA 0.713 5.240 4.527 0.000 0.000 0.311 863 F C -2.374 173.436 175.800 0.016 0.000 1.149 863 F CA -1.170 56.829 58.000 -0.002 0.000 0.930 863 F CB 1.036 40.136 39.000 0.166 0.000 1.312 863 F HN 0.354 nan 8.300 nan 0.000 0.450 864 L N 1.913 123.221 121.223 0.141 0.000 2.341 864 L HA 0.748 5.088 4.340 0.000 0.000 0.267 864 L C -0.956 176.189 176.870 0.457 0.000 1.009 864 L CA -0.742 54.129 54.840 0.052 0.000 0.819 864 L CB 2.015 44.007 42.059 -0.112 0.000 1.323 864 L HN 1.020 nan 8.230 nan 0.000 0.425 865 C N 2.094 121.652 119.300 0.430 0.000 3.166 865 C HA 0.342 4.802 4.460 0.000 0.000 0.277 865 C C -0.689 174.468 174.990 0.278 0.000 0.984 865 C CA -0.844 58.430 59.018 0.426 0.000 1.142 865 C CB -0.962 27.161 27.740 0.639 0.000 1.721 865 C HN 0.793 nan 8.230 nan 0.000 0.628 866 D N 1.664 122.245 120.400 0.301 0.000 2.371 866 D HA 0.227 4.867 4.640 0.000 0.000 0.242 866 D C 0.983 177.510 176.300 0.378 0.000 1.218 866 D CA 0.137 54.371 54.000 0.390 0.000 0.945 866 D CB 0.437 41.539 40.800 0.503 0.000 1.137 866 D HN 0.727 nan 8.370 nan 0.000 0.464 867 R N -1.766 119.032 120.500 0.496 0.000 3.484 867 R HA -0.238 4.102 4.340 0.000 0.000 0.260 867 R C -0.667 175.919 176.300 0.475 0.000 1.053 867 R CA 0.962 57.363 56.100 0.502 0.000 0.703 867 R CB -2.547 28.039 30.300 0.476 0.000 1.089 867 R HN 0.354 nan 8.270 nan 0.000 0.459 868 T N -0.280 114.454 114.554 0.299 0.000 2.865 868 T HA 0.717 5.067 4.350 0.000 0.000 0.294 868 T C -0.998 173.594 174.700 -0.181 0.000 1.119 868 T CA -0.865 61.305 62.100 0.117 0.000 1.007 868 T CB 1.401 70.309 68.868 0.067 0.000 1.225 868 T HN 0.270 nan 8.240 nan 0.000 0.515 869 L N 1.896 122.951 121.223 -0.281 0.000 2.346 869 L HA 0.553 4.893 4.340 0.000 0.000 0.276 869 L C -0.617 175.988 176.870 -0.443 0.000 1.006 869 L CA -0.973 53.562 54.840 -0.509 0.000 0.817 869 L CB 1.760 43.545 42.059 -0.456 0.000 1.272 869 L HN 0.717 nan 8.230 nan 0.000 0.421 870 W N 2.770 123.706 121.300 -0.606 0.000 2.181 870 W HA 0.339 4.999 4.660 0.000 0.000 0.335 870 W C 0.243 176.369 176.519 -0.655 0.000 1.310 870 W CA -0.505 56.429 57.345 -0.684 0.000 1.226 870 W CB 0.610 29.313 29.460 -1.262 0.000 1.155 870 W HN 0.287 nan 8.180 nan 0.000 0.565 871 R N 3.191 123.569 120.500 -0.204 0.000 2.628 871 R HA 0.569 4.909 4.340 0.000 0.000 0.288 871 R C -1.047 175.135 176.300 -0.198 0.000 0.980 871 R CA -0.955 55.028 56.100 -0.195 0.000 0.891 871 R CB 1.873 32.038 30.300 -0.224 0.000 1.188 871 R HN 0.435 nan 8.270 nan 0.000 0.450 872 I N 4.197 124.779 120.570 0.019 0.000 2.583 872 I HA 0.264 4.434 4.170 0.000 0.000 0.276 872 I C -2.296 174.044 176.117 0.370 0.000 1.089 872 I CA -2.082 59.281 61.300 0.104 0.000 1.103 872 I CB 2.061 40.096 38.000 0.060 0.000 1.209 872 I HN 0.282 nan 8.210 nan 0.000 0.484 873 P HA 0.056 nan 4.420 nan 0.000 0.275 873 P C -0.481 177.123 177.300 0.505 0.000 1.228 873 P CA -0.257 63.005 63.100 0.270 0.000 0.786 873 P CB 1.011 32.819 31.700 0.179 0.000 0.927 874 F N 2.432 122.372 119.950 -0.017 0.000 2.640 874 F HA 0.298 4.825 4.527 0.000 0.000 0.354 874 F C 0.355 176.204 175.800 0.082 0.000 1.213 874 F CA -0.143 57.837 58.000 -0.034 0.000 1.314 874 F CB -0.597 38.127 39.000 -0.460 0.000 1.679 874 F HN 0.119 nan 8.300 nan 0.000 0.622 875 S N 0.706 116.518 115.700 0.188 0.000 2.538 875 S HA 0.326 4.796 4.470 0.000 0.000 0.288 875 S C 0.964 175.519 174.600 -0.075 0.000 1.108 875 S CA -0.512 57.703 58.200 0.024 0.000 0.971 875 S CB 1.612 64.854 63.200 0.071 0.000 1.041 875 S HN 0.318 nan 8.310 nan 0.000 0.483 876 S N 3.077 118.698 115.700 -0.131 0.000 2.420 876 S HA -0.139 4.331 4.470 0.000 0.000 0.237 876 S C 1.238 175.645 174.600 -0.322 0.000 1.023 876 S CA 1.903 59.983 58.200 -0.200 0.000 0.991 876 S CB -0.404 62.714 63.200 -0.136 0.000 0.792 876 S HN 0.882 nan 8.310 nan 0.000 0.488 877 N N -0.789 117.773 118.700 -0.231 0.000 2.197 877 N HA 0.213 4.953 4.740 0.000 0.000 0.228 877 N C 0.204 175.742 175.510 0.046 0.000 1.212 877 N CA -0.359 52.603 53.050 -0.145 0.000 0.883 877 N CB -0.851 37.613 38.487 -0.039 0.000 1.107 877 N HN 0.342 nan 8.380 nan 0.000 0.519 878 F N -1.245 118.785 119.950 0.134 0.000 2.825 878 F HA -0.307 4.220 4.527 0.000 0.000 0.358 878 F C 0.456 176.284 175.800 0.047 0.000 0.639 878 F CA 0.529 58.592 58.000 0.104 0.000 1.153 878 F CB -1.459 37.582 39.000 0.068 0.000 1.610 878 F HN 0.082 nan 8.300 nan 0.000 0.305 879 M N 0.081 119.803 119.600 0.202 0.000 2.283 879 M HA 0.303 4.783 4.480 0.000 0.000 0.314 879 M C 0.605 176.945 176.300 0.067 0.000 1.153 879 M CA 0.008 55.382 55.300 0.123 0.000 1.084 879 M CB 0.928 33.610 32.600 0.137 0.000 1.468 879 M HN -0.089 nan 8.290 nan 0.000 0.474 880 S N 2.194 117.915 115.700 0.035 0.000 2.430 880 S HA 0.407 4.877 4.470 0.000 0.000 0.289 880 S C 0.216 174.828 174.600 0.020 0.000 1.143 880 S CA -0.417 57.790 58.200 0.012 0.000 1.067 880 S CB 0.291 63.484 63.200 -0.012 0.000 0.964 880 S HN 0.652 nan 8.310 nan 0.000 0.485 881 M N 2.385 121.994 119.600 0.016 0.000 2.504 881 M HA 0.327 4.807 4.480 0.000 0.000 0.370 881 M C 0.514 176.823 176.300 0.016 0.000 1.110 881 M CA -0.202 55.108 55.300 0.017 0.000 0.938 881 M CB 0.979 33.586 32.600 0.012 0.000 1.460 881 M HN 0.816 nan 8.290 nan 0.000 0.535 882 G N -0.171 108.639 108.800 0.016 0.000 2.307 882 G HA2 0.287 4.247 3.960 0.000 0.000 0.348 882 G HA3 0.287 4.247 3.960 0.000 0.000 0.348 882 G C 0.095 175.016 174.900 0.036 0.000 1.603 882 G CA -0.498 44.618 45.100 0.026 0.000 0.961 882 G HN 0.097 nan 8.290 nan 0.000 0.686 883 A N 0.447 123.303 122.820 0.059 0.000 1.892 883 A HA 0.107 4.427 4.320 0.000 0.000 0.218 883 A C 1.645 179.364 177.584 0.225 0.000 1.188 883 A CA 2.163 54.252 52.037 0.086 0.000 0.631 883 A CB -0.306 18.793 19.000 0.164 0.000 0.822 883 A HN 1.793 nan 8.150 nan 0.000 0.447 884 L N 2.285 123.679 121.223 0.285 0.000 2.334 884 L HA 0.292 4.632 4.340 0.000 0.000 0.286 884 L C 0.904 177.842 176.870 0.114 0.000 1.108 884 L CA 0.313 55.305 54.840 0.253 0.000 0.875 884 L CB -0.430 41.672 42.059 0.072 0.000 1.246 884 L HN 0.433 nan 8.230 nan 0.000 0.439 885 T N 0.024 114.635 114.554 0.095 0.000 2.795 885 T HA 0.047 4.397 4.350 0.000 0.000 0.314 885 T C 1.109 175.816 174.700 0.012 0.000 1.069 885 T CA 0.188 62.308 62.100 0.034 0.000 1.071 885 T CB 0.504 69.379 68.868 0.013 0.000 0.988 885 T HN 0.693 nan 8.240 nan 0.000 0.543 886 D N 1.228 121.616 120.400 -0.020 0.000 2.117 886 D HA -0.123 4.517 4.640 0.000 0.000 0.198 886 D C 2.074 178.344 176.300 -0.051 0.000 0.982 886 D CA 1.109 55.092 54.000 -0.028 0.000 0.828 886 D CB -0.607 40.172 40.800 -0.036 0.000 0.967 886 D HN 0.568 nan 8.370 nan 0.000 0.464 887 L N 0.393 121.524 121.223 -0.153 0.000 2.141 887 L HA 0.066 4.406 4.340 0.000 0.000 0.209 887 L C 2.674 179.406 176.870 -0.230 0.000 1.094 887 L CA 1.185 55.842 54.840 -0.304 0.000 0.763 887 L CB -0.681 40.825 42.059 -0.921 0.000 0.908 887 L HN 0.199 nan 8.230 nan 0.000 0.437 888 G N -0.924 107.850 108.800 -0.044 0.000 2.470 888 G HA2 -0.283 3.677 3.960 0.000 0.000 0.220 888 G HA3 -0.283 3.677 3.960 0.000 0.000 0.220 888 G C 1.425 176.383 174.900 0.097 0.000 1.121 888 G CA 0.366 45.523 45.100 0.096 0.000 0.766 888 G HN 0.417 nan 8.290 nan 0.000 0.553 889 Q N -0.200 119.642 119.800 0.071 0.000 2.179 889 Q HA 0.162 4.502 4.340 0.000 0.000 0.213 889 Q C 0.220 176.285 176.000 0.108 0.000 0.833 889 Q CA -0.497 55.354 55.803 0.080 0.000 0.990 889 Q CB -0.039 28.724 28.738 0.042 0.000 1.132 889 Q HN 0.457 nan 8.270 nan 0.000 0.493 890 N N 0.042 118.844 118.700 0.169 0.000 2.497 890 N HA 0.018 4.758 4.740 0.000 0.000 0.268 890 N C 0.912 176.541 175.510 0.200 0.000 1.171 890 N CA -0.011 53.158 53.050 0.199 0.000 0.948 890 N CB 0.640 39.320 38.487 0.321 0.000 1.069 890 N HN 0.249 nan 8.380 nan 0.000 0.460 891 L N 2.886 124.175 121.223 0.109 0.000 2.189 891 L HA -0.197 4.143 4.340 0.000 0.000 0.214 891 L C 2.031 178.946 176.870 0.076 0.000 1.097 891 L CA 0.558 55.449 54.840 0.085 0.000 0.764 891 L CB -0.485 41.604 42.059 0.050 0.000 0.900 891 L HN 0.676 nan 8.230 nan 0.000 0.436 892 L N -0.818 120.420 121.223 0.026 0.000 2.042 892 L HA -0.246 4.094 4.340 0.000 0.000 0.210 892 L C 2.333 179.129 176.870 -0.124 0.000 1.076 892 L CA 1.955 56.736 54.840 -0.098 0.000 0.749 892 L CB -0.645 41.240 42.059 -0.290 0.000 0.893 892 L HN 0.106 nan 8.230 nan 0.000 0.432 893 Y N -0.436 119.873 120.300 0.016 0.000 2.153 893 Y HA 0.004 4.554 4.550 0.000 0.000 0.289 893 Y C 2.593 178.584 175.900 0.152 0.000 1.127 893 Y CA 1.361 59.497 58.100 0.061 0.000 1.131 893 Y CB -1.068 37.468 38.460 0.126 0.000 0.995 893 Y HN 0.258 nan 8.280 nan 0.000 0.505 894 A N 0.600 123.590 122.820 0.283 0.000 1.898 894 A HA -0.192 4.128 4.320 0.000 0.000 0.216 894 A C 1.919 179.585 177.584 0.136 0.000 1.181 894 A CA 1.922 54.070 52.037 0.186 0.000 0.620 894 A CB -0.711 18.372 19.000 0.138 0.000 0.819 894 A HN 0.437 nan 8.150 nan 0.000 0.442 895 N N 0.458 119.229 118.700 0.120 0.000 2.120 895 N HA -0.055 4.685 4.740 0.000 0.000 0.188 895 N C 0.673 176.235 175.510 0.087 0.000 1.024 895 N CA 1.331 54.432 53.050 0.085 0.000 0.852 895 N CB -0.282 38.244 38.487 0.065 0.000 1.003 895 N HN 0.581 nan 8.380 nan 0.000 0.424 896 S N -1.018 114.761 115.700 0.132 0.000 2.536 896 S HA 0.792 5.262 4.470 0.000 0.000 0.287 896 S C -0.506 174.201 174.600 0.178 0.000 1.101 896 S CA -1.101 57.157 58.200 0.097 0.000 0.950 896 S CB 2.601 65.813 63.200 0.020 0.000 1.056 896 S HN 0.286 nan 8.310 nan 0.000 0.481 897 A N 1.899 124.764 122.820 0.076 0.000 2.445 897 A HA 0.607 4.927 4.320 0.000 0.000 0.242 897 A C -0.368 177.251 177.584 0.058 0.000 1.075 897 A CA 0.077 52.197 52.037 0.138 0.000 0.777 897 A CB -0.303 18.726 19.000 0.048 0.000 1.013 897 A HN 0.940 nan 8.150 nan 0.000 0.493 898 H N -0.938 118.325 119.070 0.321 0.000 2.895 898 H HA 0.651 5.207 4.556 0.000 0.000 0.373 898 H C -0.012 175.580 175.328 0.439 0.000 1.174 898 H CA 0.419 56.659 56.048 0.320 0.000 1.144 898 H CB 1.960 31.876 29.762 0.256 0.000 1.793 898 H HN 0.943 nan 8.280 nan 0.000 0.551 899 A N 1.705 124.762 122.820 0.396 0.000 2.312 899 A HA 0.639 4.959 4.320 0.000 0.000 0.328 899 A C -1.287 176.435 177.584 0.230 0.000 1.158 899 A CA -0.521 51.698 52.037 0.303 0.000 0.821 899 A CB 0.687 19.787 19.000 0.168 0.000 1.170 899 A HN 0.495 nan 8.150 nan 0.000 0.490 900 L N 1.212 122.530 121.223 0.159 0.000 2.365 900 L HA 0.681 5.021 4.340 0.000 0.000 0.273 900 L C -1.506 175.343 176.870 -0.035 0.000 1.000 900 L CA -0.195 54.579 54.840 -0.109 0.000 0.819 900 L CB 2.092 44.024 42.059 -0.211 0.000 1.284 900 L HN 0.628 nan 8.230 nan 0.000 0.418 901 D N 5.459 125.784 120.400 -0.126 0.000 2.646 901 D HA 0.528 5.168 4.640 0.000 0.000 0.245 901 D C -0.925 175.288 176.300 -0.145 0.000 1.099 901 D CA -0.073 53.883 54.000 -0.074 0.000 0.849 901 D CB 2.395 43.166 40.800 -0.048 0.000 1.448 901 D HN 0.521 nan 8.370 nan 0.000 0.489 902 M N 0.799 120.327 119.600 -0.120 0.000 2.457 902 M HA 0.328 4.808 4.480 0.000 0.000 0.300 902 M C -1.103 175.089 176.300 -0.180 0.000 1.141 902 M CA -0.456 54.704 55.300 -0.234 0.000 0.901 902 M CB 2.686 35.158 32.600 -0.214 0.000 1.687 902 M HN 0.092 nan 8.290 nan 0.000 0.449 903 T N 3.183 117.552 114.554 -0.309 0.000 2.906 903 T HA 0.561 4.911 4.350 0.000 0.000 0.302 903 T C -1.162 173.361 174.700 -0.295 0.000 1.002 903 T CA -0.360 61.635 62.100 -0.175 0.000 0.988 903 T CB 0.431 69.225 68.868 -0.125 0.000 0.972 903 T HN 0.265 nan 8.240 nan 0.000 0.447 904 F N 1.962 121.820 119.950 -0.153 0.000 2.421 904 F HA 0.531 5.058 4.527 0.000 0.000 0.337 904 F C 0.771 176.519 175.800 -0.087 0.000 1.105 904 F CA -1.097 56.826 58.000 -0.128 0.000 1.049 904 F CB 1.367 40.311 39.000 -0.094 0.000 1.139 904 F HN 0.454 nan 8.300 nan 0.000 0.479 905 E N 3.006 123.258 120.200 0.087 0.000 2.176 905 E HA 0.650 5.000 4.350 0.000 0.000 0.267 905 E C -1.503 175.101 176.600 0.006 0.000 0.893 905 E CA -0.742 55.670 56.400 0.020 0.000 0.761 905 E CB 1.618 31.305 29.700 -0.022 0.000 1.133 905 E HN 0.532 nan 8.360 nan 0.000 0.409 906 V N 0.567 120.444 119.914 -0.061 0.000 3.141 906 V HA 0.546 4.666 4.120 0.000 0.000 0.312 906 V C -0.646 175.377 176.094 -0.119 0.000 1.157 906 V CA -1.115 61.091 62.300 -0.158 0.000 1.041 906 V CB 1.872 33.500 31.823 -0.325 0.000 1.071 906 V HN 0.575 nan 8.190 nan 0.000 0.441 907 D N 3.136 123.453 120.400 -0.139 0.000 2.389 907 D HA 0.386 5.026 4.640 0.000 0.000 0.247 907 D C -2.367 173.880 176.300 -0.088 0.000 1.128 907 D CA -0.880 53.067 54.000 -0.088 0.000 0.884 907 D CB 1.148 41.899 40.800 -0.083 0.000 1.194 907 D HN 0.654 nan 8.370 nan 0.000 0.441 908 P HA 0.180 nan 4.420 nan 0.000 0.275 908 P C -0.658 176.625 177.300 -0.030 0.000 1.227 908 P CA -0.262 62.814 63.100 -0.040 0.000 0.781 908 P CB 0.933 32.621 31.700 -0.019 0.000 0.906 909 M N 2.008 121.590 119.600 -0.029 0.000 2.395 909 M HA 0.170 4.650 4.480 0.000 0.000 0.307 909 M C 0.147 176.447 176.300 0.000 0.000 1.091 909 M CA -0.607 54.686 55.300 -0.011 0.000 0.919 909 M CB 2.000 34.585 32.600 -0.025 0.000 1.662 909 M HN 0.249 nan 8.290 nan 0.000 0.440 910 D N 0.828 121.238 120.400 0.017 0.000 2.494 910 D HA 0.011 4.651 4.640 0.000 0.000 0.249 910 D C -0.297 176.009 176.300 0.011 0.000 1.223 910 D CA 0.064 54.074 54.000 0.017 0.000 0.865 910 D CB -0.150 40.667 40.800 0.029 0.000 0.974 910 D HN 0.637 nan 8.370 nan 0.000 0.491 911 E N -1.841 118.361 120.200 0.003 0.000 2.390 911 E HA 0.398 4.748 4.350 0.000 0.000 0.280 911 E C -3.258 173.335 176.600 -0.011 0.000 0.992 911 E CA -2.455 53.944 56.400 -0.002 0.000 0.790 911 E CB 0.943 30.646 29.700 0.005 0.000 1.248 911 E HN -0.224 nan 8.360 nan 0.000 0.447 912 P HA 0.064 nan 4.420 nan 0.000 0.263 912 P C -0.639 176.650 177.300 -0.019 0.000 1.195 912 P CA 0.470 63.559 63.100 -0.019 0.000 0.762 912 P CB 0.704 32.390 31.700 -0.023 0.000 0.799 913 T N 0.921 115.463 114.554 -0.020 0.000 2.773 913 T HA 0.805 5.155 4.350 0.000 0.000 0.278 913 T C -0.792 173.904 174.700 -0.006 0.000 1.011 913 T CA -0.902 61.186 62.100 -0.020 0.000 1.014 913 T CB 0.884 69.727 68.868 -0.042 0.000 1.293 913 T HN 0.111 nan 8.240 nan 0.000 0.554 914 L N 0.645 121.876 121.223 0.013 0.000 2.455 914 L HA 0.572 4.912 4.340 0.000 0.000 0.264 914 L C -1.386 175.541 176.870 0.095 0.000 0.968 914 L CA -1.215 53.652 54.840 0.045 0.000 0.827 914 L CB 2.282 44.360 42.059 0.031 0.000 1.317 914 L HN 0.602 nan 8.230 nan 0.000 0.407 915 L N 3.079 124.373 121.223 0.117 0.000 2.260 915 L HA 0.305 4.645 4.340 0.000 0.000 0.289 915 L C -0.980 176.059 176.870 0.283 0.000 1.057 915 L CA 0.300 55.217 54.840 0.128 0.000 0.811 915 L CB 0.406 42.430 42.059 -0.057 0.000 1.184 915 L HN 0.492 nan 8.230 nan 0.000 0.429 916 Y N 5.881 126.273 120.300 0.153 0.000 2.434 916 Y HA 0.591 5.141 4.550 0.000 0.000 0.341 916 Y C -0.976 175.019 175.900 0.158 0.000 0.965 916 Y CA -1.138 57.071 58.100 0.181 0.000 1.205 916 Y CB 1.038 39.622 38.460 0.205 0.000 1.121 916 Y HN 0.387 nan 8.280 nan 0.000 0.507 917 V N 7.494 127.634 119.914 0.377 0.000 2.417 917 V HA 0.269 4.389 4.120 0.000 0.000 0.291 917 V C -0.338 175.785 176.094 0.048 0.000 1.024 917 V CA -0.880 61.483 62.300 0.106 0.000 0.861 917 V CB 1.536 33.421 31.823 0.103 0.000 0.985 917 V HN 0.625 nan 8.190 nan 0.000 0.436 918 L N 5.231 126.354 121.223 -0.167 0.000 2.265 918 L HA 0.512 4.852 4.340 0.000 0.000 0.289 918 L C -0.679 176.102 176.870 -0.147 0.000 1.033 918 L CA 0.020 54.791 54.840 -0.115 0.000 0.814 918 L CB 0.937 42.856 42.059 -0.233 0.000 1.203 918 L HN 0.521 nan 8.230 nan 0.000 0.423 919 F N 2.048 121.984 119.950 -0.024 0.000 2.368 919 F HA 0.233 4.760 4.527 0.000 0.000 0.362 919 F C 1.120 176.851 175.800 -0.114 0.000 1.137 919 F CA -0.558 57.425 58.000 -0.028 0.000 1.161 919 F CB 0.593 39.396 39.000 -0.328 0.000 1.265 919 F HN 0.434 nan 8.300 nan 0.000 0.530 920 E N 3.513 123.648 120.200 -0.109 0.000 2.351 920 E HA 0.311 4.661 4.350 0.000 0.000 0.266 920 E C 0.008 176.471 176.600 -0.228 0.000 1.031 920 E CA -0.149 56.096 56.400 -0.259 0.000 0.911 920 E CB 0.900 30.359 29.700 -0.402 0.000 0.986 920 E HN 0.503 nan 8.360 nan 0.000 0.446 921 V N 0.163 119.961 119.914 -0.195 0.000 3.109 921 V HA 0.581 4.701 4.120 0.000 0.000 0.311 921 V C -1.199 174.702 176.094 -0.321 0.000 1.389 921 V CA -1.080 61.161 62.300 -0.098 0.000 1.034 921 V CB 1.067 32.955 31.823 0.108 0.000 1.105 921 V HN 0.414 nan 8.190 nan 0.000 0.477 922 F N 1.001 120.943 119.950 -0.014 0.000 2.426 922 F HA 0.691 5.218 4.527 0.000 0.000 0.348 922 F C -0.295 175.491 175.800 -0.024 0.000 1.124 922 F CA -0.142 57.835 58.000 -0.038 0.000 1.008 922 F CB 1.519 40.511 39.000 -0.015 0.000 1.139 922 F HN 0.583 nan 8.300 nan 0.000 0.452 923 D N 4.075 124.491 120.400 0.025 0.000 2.462 923 D HA 0.458 5.098 4.640 0.000 0.000 0.249 923 D C -1.019 175.266 176.300 -0.025 0.000 1.117 923 D CA 0.021 54.009 54.000 -0.020 0.000 0.900 923 D CB 1.036 41.706 40.800 -0.217 0.000 1.039 923 D HN 0.153 nan 8.370 nan 0.000 0.516 924 V N 1.903 121.920 119.914 0.171 0.000 3.019 924 V HA 0.725 4.845 4.120 0.000 0.000 0.317 924 V C -0.059 176.185 176.094 0.251 0.000 1.094 924 V CA -0.868 61.560 62.300 0.214 0.000 1.000 924 V CB 2.349 34.262 31.823 0.149 0.000 1.060 924 V HN 0.231 nan 8.190 nan 0.000 0.443 925 V N 1.791 121.812 119.914 0.178 0.000 2.851 925 V HA 0.541 4.661 4.120 0.000 0.000 0.307 925 V C -0.579 175.502 176.094 -0.021 0.000 1.129 925 V CA -0.735 61.526 62.300 -0.065 0.000 0.932 925 V CB 2.072 33.707 31.823 -0.313 0.000 1.024 925 V HN 0.872 nan 8.190 nan 0.000 0.426 926 R N 2.588 123.053 120.500 -0.059 0.000 2.437 926 R HA 0.790 5.130 4.340 0.000 0.000 0.310 926 R C -1.616 174.683 176.300 -0.002 0.000 0.955 926 R CA -0.382 55.700 56.100 -0.030 0.000 0.851 926 R CB 1.922 32.204 30.300 -0.030 0.000 1.161 926 R HN 0.581 nan 8.270 nan 0.000 0.446 927 V N 4.550 124.489 119.914 0.042 0.000 2.398 927 V HA 0.306 4.426 4.120 0.000 0.000 0.286 927 V C -0.128 176.048 176.094 0.137 0.000 1.026 927 V CA -0.621 61.733 62.300 0.089 0.000 0.868 927 V CB 1.288 33.187 31.823 0.126 0.000 0.982 927 V HN 0.722 nan 8.190 nan 0.000 0.443 928 H N 5.491 124.575 119.070 0.023 0.000 2.489 928 H HA 0.559 5.115 4.556 0.000 0.000 0.343 928 H C -0.552 174.794 175.328 0.031 0.000 1.086 928 H CA -0.933 55.125 56.048 0.016 0.000 1.198 928 H CB 1.383 31.154 29.762 0.015 0.000 1.490 928 H HN 0.535 nan 8.280 nan 0.000 0.504 929 R N 5.672 125.986 120.500 -0.310 0.000 2.681 929 R HA 0.148 4.488 4.340 0.000 0.000 0.277 929 R C -2.037 174.024 176.300 -0.398 0.000 1.563 929 R CA -1.540 54.414 56.100 -0.243 0.000 1.673 929 R CB 1.227 31.492 30.300 -0.058 0.000 1.258 929 R HN 0.576 nan 8.270 nan 0.000 0.650 930 P HA -0.158 nan 4.420 nan 0.000 0.216 930 P C -0.324 176.512 177.300 -0.773 0.000 1.150 930 P CA 1.541 64.221 63.100 -0.701 0.000 0.843 930 P CB 0.410 31.771 31.700 -0.565 0.000 0.787 931 H N -3.378 115.644 119.070 -0.080 0.000 2.977 931 H HA 0.421 4.977 4.556 0.000 0.000 0.350 931 H C -0.039 175.278 175.328 -0.018 0.000 1.238 931 H CA -1.065 54.963 56.048 -0.034 0.000 1.124 931 H CB 0.956 30.705 29.762 -0.022 0.000 1.866 931 H HN -0.194 nan 8.280 nan 0.000 0.550 932 R N 0.753 121.327 120.500 0.124 0.000 2.504 932 R HA 0.147 4.487 4.340 0.000 0.000 0.291 932 R C 0.489 176.789 176.300 -0.001 0.000 0.974 932 R CA 1.443 57.575 56.100 0.052 0.000 1.077 932 R CB -0.432 29.886 30.300 0.029 0.000 0.926 932 R HN 1.063 nan 8.270 nan 0.000 0.407 933 G N 2.475 111.228 108.800 -0.078 0.000 2.168 933 G HA2 -0.253 3.707 3.960 0.000 0.000 0.257 933 G HA3 -0.253 3.707 3.960 0.000 0.000 0.257 933 G C -0.343 174.510 174.900 -0.079 0.000 0.997 933 G CA 0.254 45.193 45.100 -0.269 0.000 0.708 933 G HN 0.510 nan 8.290 nan 0.000 0.520 934 V N 1.208 121.164 119.914 0.069 0.000 2.487 934 V HA 0.676 4.796 4.120 0.000 0.000 0.298 934 V C 0.230 176.408 176.094 0.141 0.000 1.028 934 V CA -0.739 61.624 62.300 0.105 0.000 0.860 934 V CB 1.856 33.742 31.823 0.105 0.000 0.991 934 V HN 0.297 nan 8.190 nan 0.000 0.427 935 I N 4.399 125.066 120.570 0.161 0.000 2.439 935 I HA 0.518 4.688 4.170 0.000 0.000 0.285 935 I C -0.416 175.777 176.117 0.127 0.000 1.021 935 I CA -0.437 60.946 61.300 0.138 0.000 1.091 935 I CB 1.988 40.079 38.000 0.153 0.000 1.242 935 I HN 0.601 nan 8.210 nan 0.000 0.439 936 E N 4.561 124.836 120.200 0.126 0.000 2.199 936 E HA 0.576 4.926 4.350 0.000 0.000 0.269 936 E C -0.741 175.947 176.600 0.146 0.000 0.899 936 E CA -0.787 55.703 56.400 0.150 0.000 0.772 936 E CB 2.608 32.418 29.700 0.183 0.000 1.155 936 E HN 0.628 nan 8.360 nan 0.000 0.408 937 T N -1.638 113.002 114.554 0.142 0.000 2.893 937 T HA 0.605 4.955 4.350 0.000 0.000 0.291 937 T C -0.577 174.194 174.700 0.118 0.000 1.028 937 T CA -0.792 61.366 62.100 0.096 0.000 0.995 937 T CB 1.368 70.282 68.868 0.077 0.000 1.051 937 T HN 0.146 nan 8.240 nan 0.000 0.470 938 V N 2.764 122.701 119.914 0.037 0.000 2.443 938 V HA 0.417 4.537 4.120 0.000 0.000 0.293 938 V C -1.346 174.781 176.094 0.056 0.000 1.021 938 V CA -0.904 61.452 62.300 0.092 0.000 0.848 938 V CB 0.769 32.625 31.823 0.056 0.000 0.998 938 V HN 0.921 nan 8.190 nan 0.000 0.424 939 Y N 4.994 125.368 120.300 0.123 0.000 2.342 939 Y HA 0.752 5.302 4.550 0.000 0.000 0.334 939 Y C -0.177 175.803 175.900 0.134 0.000 1.067 939 Y CA -0.684 57.512 58.100 0.159 0.000 1.128 939 Y CB 1.927 40.496 38.460 0.182 0.000 1.200 939 Y HN 0.531 nan 8.280 nan 0.000 0.464 940 L N 4.696 126.093 121.223 0.291 0.000 2.516 940 L HA 0.524 4.864 4.340 0.000 0.000 0.267 940 L C -1.413 175.583 176.870 0.210 0.000 0.957 940 L CA -0.746 54.215 54.840 0.202 0.000 0.860 940 L CB 1.643 43.778 42.059 0.126 0.000 1.265 940 L HN 0.659 nan 8.230 nan 0.000 0.403 941 R N 3.376 123.989 120.500 0.188 0.000 2.435 941 R HA 0.733 5.073 4.340 0.000 0.000 0.308 941 R C -1.498 174.900 176.300 0.164 0.000 0.975 941 R CA 0.004 56.215 56.100 0.184 0.000 0.867 941 R CB 1.264 31.672 30.300 0.182 0.000 1.171 941 R HN 0.826 nan 8.270 nan 0.000 0.470 942 T N 2.179 116.847 114.554 0.189 0.000 2.921 942 T HA 0.505 4.855 4.350 0.000 0.000 0.297 942 T C -2.801 172.052 174.700 0.256 0.000 1.013 942 T CA -1.985 60.217 62.100 0.170 0.000 0.990 942 T CB 2.454 71.387 68.868 0.108 0.000 1.023 942 T HN 0.236 nan 8.240 nan 0.000 0.447 943 P HA 0.464 nan 4.420 nan 0.000 0.296 943 P C -0.476 176.956 177.300 0.219 0.000 1.295 943 P CA -0.486 62.685 63.100 0.119 0.000 0.754 943 P CB -0.072 31.641 31.700 0.022 0.000 1.311 944 F N -2.779 117.048 119.950 -0.205 0.000 2.695 944 F HA -0.200 4.327 4.527 0.000 0.000 0.305 944 F C 0.740 176.500 175.800 -0.067 0.000 1.044 944 F CA 0.187 58.085 58.000 -0.171 0.000 1.049 944 F CB -2.555 36.354 39.000 -0.153 0.000 1.267 944 F HN -0.011 nan 8.300 nan 0.000 0.828 945 S N 0.299 116.012 115.700 0.022 0.000 2.633 945 S HA 0.528 4.998 4.470 0.000 0.000 0.257 945 S C 1.695 176.331 174.600 0.059 0.000 1.265 945 S CA -0.255 57.975 58.200 0.050 0.000 0.980 945 S CB 0.753 63.960 63.200 0.012 0.000 1.017 945 S HN 0.753 nan 8.310 nan 0.000 0.577 946 A N 0.006 122.863 122.820 0.061 0.000 2.016 946 A HA -0.025 4.295 4.320 0.000 0.000 0.225 946 A C 1.050 178.656 177.584 0.037 0.000 1.230 946 A CA 2.129 54.197 52.037 0.053 0.000 0.678 946 A CB -1.114 17.910 19.000 0.040 0.000 0.826 946 A HN 1.078 nan 8.150 nan 0.000 0.484 947 G N -2.813 105.995 108.800 0.014 0.000 2.677 947 G HA2 0.457 4.417 3.960 0.000 0.000 0.291 947 G HA3 0.457 4.417 3.960 0.000 0.000 0.291 947 G C -1.128 173.740 174.900 -0.054 0.000 1.435 947 G CA 0.023 45.121 45.100 -0.004 0.000 0.826 947 G HN 0.380 nan 8.290 nan 0.000 0.491 948 N N -0.701 117.956 118.700 -0.072 0.000 2.502 948 N HA 0.876 5.616 4.740 0.000 0.000 0.280 948 N C 0.044 175.565 175.510 0.019 0.000 1.223 948 N CA 0.511 53.547 53.050 -0.023 0.000 0.966 948 N CB 1.925 40.395 38.487 -0.028 0.000 1.203 948 N HN 1.293 nan 8.380 nan 0.000 0.565 949 A N 0.000 122.846 122.820 0.043 0.000 2.254 949 A HA 0.000 4.320 4.320 0.000 0.000 0.244 949 A CA 0.000 52.084 52.037 0.077 0.000 0.836 949 A CB 0.000 19.073 19.000 0.122 0.000 0.831 949 A HN 0.000 nan 8.150 nan 0.000 0.486