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_J DATA FIRST_RESID 5 DATA SEQUENCE MMPQWSYMHI SGQDASEYLS PGLVQFARAT ETYFSLNNKF RNPTVAPTHD DATA SEQUENCE VTTDRSQRLT LRFIPVDRED TAYSYKARFT LAVGDNRVLD MASTYFDIRG DATA SEQUENCE VLDRGPTFKP YSGTAYNALA PKGAPNPCEW DXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX THVFGQAPYS GINITKEGIQ IGVEGQTPKY ADKTFQPEPQ DATA SEQUENCE IGESQWYETE INHAAGRVLK KTTPMKPCYG SYAKPTNENG GQGILVKQQN DATA SEQUENCE GKLESQVEMQ FFSTTEATAG NGDNLTPKVV LYSEDVDIET PDTHISYMPT DATA SEQUENCE IKEGNSRELM GQQSMPNRPN YIAFRDNFIG LMYYNSTGNM GVLAGQASQL DATA SEQUENCE NAVVDLQDRN TELSYQLLLD SIGDRTRYFS MWNQAVDSYD PDVRIIENHG DATA SEQUENCE TEDELPNYCF PLGGVINTET LTKVKPKTGQ ENGWEKDATE FSDKNEIRVG DATA SEQUENCE NNFAMEINLN ANLWRNFLYS NIALYLPDKL KYSPSNVKIS DNPNTYDYMN DATA SEQUENCE KRVVAPGLVD CYINLGARWS LDYMDNVNPF NHHRNAGLRY RSMLLGNGRY DATA SEQUENCE VPFHIQVPQK FFAIKNLLLL PGSYTYEWNF RKDVNMVLQS SLGNDLRVDG DATA SEQUENCE ASIKFDSICL YATFFPMAHN TASTLEAMLR NDTNDQSFND YLSAANMLYP DATA SEQUENCE IPANATNVPI SIPSRNWAAF RGWAFTRLKT KETPSLGSGY DPYYTYSGSI DATA SEQUENCE PYLDGTFYLN HTFKKVAITF DSSVSWPGND RLLTPNEFEI KRSVDGEGYN DATA SEQUENCE VAQCNMTKDW FLVQMLANYN IGYQGFYIPE SYKDRMYSFF RNFQPMSRQV DATA SEQUENCE VDDTKYKDYQ QVGILHQHNN SGFVGYLAPT MREGQAYPAN FPYPLIGKTA DATA SEQUENCE VDSITQKKFL CDRTLWRIPF SSNFMSMGAL TDLGQNLLYA NSAHALDMTF DATA SEQUENCE EVDPMDEPTL LYVLFEVFDV VRVHRPHRGV IETVYLRTPF SAGNATT 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.017 176.300 -0.471 0.000 1.140 5 M CA 0.000 54.876 55.300 -0.706 0.000 0.988 5 M CB 0.000 32.244 32.600 -0.593 0.000 1.302 6 M N -1.148 118.160 119.600 -0.486 0.000 7.319 6 M HA -0.138 4.342 4.480 0.000 0.000 0.546 6 M C -1.807 174.447 176.300 -0.076 0.000 0.480 6 M CA 1.082 56.281 55.300 -0.168 0.000 1.311 6 M CB -2.895 29.630 32.600 -0.124 0.000 0.421 6 M HN 0.437 nan 8.290 nan 0.000 0.276 7 P HA -0.124 nan 4.420 nan 0.000 0.218 7 P C 1.591 178.888 177.300 -0.005 0.000 1.146 7 P CA 1.811 64.889 63.100 -0.038 0.000 0.813 7 P CB -0.080 31.580 31.700 -0.068 0.000 0.778 8 Q N -1.699 118.069 119.800 -0.054 0.000 1.994 8 Q HA -0.097 4.243 4.340 0.000 0.000 0.198 8 Q C 1.927 178.047 176.000 0.201 0.000 0.976 8 Q CA 1.546 57.364 55.803 0.024 0.000 0.828 8 Q CB -1.047 27.648 28.738 -0.072 0.000 0.894 8 Q HN 0.236 nan 8.270 nan 0.000 0.432 9 W N 0.186 121.498 121.300 0.019 0.000 2.353 9 W HA -0.042 4.618 4.660 0.000 0.000 0.319 9 W C 2.590 179.091 176.519 -0.030 0.000 1.207 9 W CA 1.179 58.527 57.345 0.005 0.000 1.291 9 W CB -1.667 27.800 29.460 0.012 0.000 1.159 9 W HN 0.187 nan 8.180 nan 0.000 0.478 10 S N -0.297 115.536 115.700 0.221 0.000 2.378 10 S HA -0.354 4.116 4.470 0.000 0.000 0.229 10 S C 1.951 176.475 174.600 -0.128 0.000 1.052 10 S CA 2.128 60.366 58.200 0.063 0.000 1.084 10 S CB -0.998 62.240 63.200 0.064 0.000 0.950 10 S HN 0.271 nan 8.310 nan 0.000 0.440 11 Y N 0.920 121.119 120.300 -0.168 0.000 2.224 11 Y HA 0.059 4.609 4.550 0.000 0.000 0.289 11 Y C 2.004 177.692 175.900 -0.354 0.000 1.146 11 Y CA 1.733 59.678 58.100 -0.259 0.000 1.182 11 Y CB -0.160 38.224 38.460 -0.125 0.000 0.983 11 Y HN 0.271 nan 8.280 nan 0.000 0.524 12 M N -0.394 119.084 119.600 -0.203 0.000 2.495 12 M HA 0.031 4.511 4.480 0.000 0.000 0.237 12 M C -0.044 176.177 176.300 -0.131 0.000 1.131 12 M CA 0.659 55.847 55.300 -0.187 0.000 1.032 12 M CB -1.113 31.515 32.600 0.047 0.000 1.513 12 M HN 0.388 nan 8.290 nan 0.000 0.488 13 H N -0.893 118.096 119.070 -0.135 0.000 2.936 13 H HA -0.144 4.412 4.556 0.000 0.000 0.276 13 H C 1.162 176.457 175.328 -0.056 0.000 1.216 13 H CA 0.541 56.509 56.048 -0.132 0.000 1.132 13 H CB -1.502 28.149 29.762 -0.185 0.000 1.303 13 H HN 0.294 nan 8.280 nan 0.000 0.370 14 I N -0.140 120.450 120.570 0.034 0.000 2.546 14 I HA -0.069 4.101 4.170 0.000 0.000 0.255 14 I C 1.602 177.649 176.117 -0.116 0.000 1.163 14 I CA 1.515 62.744 61.300 -0.118 0.000 1.457 14 I CB -0.344 37.456 38.000 -0.334 0.000 1.092 14 I HN 0.349 nan 8.210 nan 0.000 0.434 15 S N -1.183 114.549 115.700 0.054 0.000 2.705 15 S HA 0.799 5.269 4.470 0.000 0.000 0.280 15 S C -0.010 174.679 174.600 0.149 0.000 1.174 15 S CA 0.024 58.289 58.200 0.108 0.000 0.823 15 S CB 2.294 65.634 63.200 0.234 0.000 1.162 15 S HN 0.546 nan 8.310 nan 0.000 0.487 16 G N 0.576 109.464 108.800 0.146 0.000 2.445 16 G HA2 -0.015 3.945 3.960 0.000 0.000 0.212 16 G HA3 -0.015 3.945 3.960 0.000 0.000 0.212 16 G C -1.041 173.956 174.900 0.162 0.000 1.217 16 G CA -0.263 44.926 45.100 0.148 0.000 1.002 16 G HN 0.975 nan 8.290 nan 0.000 0.574 17 Q N 0.353 120.279 119.800 0.211 0.000 2.249 17 Q HA 0.499 4.839 4.340 0.000 0.000 0.226 17 Q C -0.514 175.654 176.000 0.280 0.000 0.983 17 Q CA -0.693 55.241 55.803 0.218 0.000 0.930 17 Q CB 0.855 29.730 28.738 0.227 0.000 1.193 17 Q HN 0.540 nan 8.270 nan 0.000 0.508 18 D N -0.343 120.148 120.400 0.152 0.000 2.354 18 D HA 0.147 4.787 4.640 0.000 0.000 0.247 18 D C 0.604 176.827 176.300 -0.128 0.000 1.138 18 D CA 0.019 54.055 54.000 0.060 0.000 0.958 18 D CB 1.333 42.127 40.800 -0.010 0.000 1.144 18 D HN 0.675 nan 8.370 nan 0.000 0.458 19 A N 1.058 123.659 122.820 -0.365 0.000 1.948 19 A HA -0.222 4.098 4.320 0.000 0.000 0.220 19 A C 2.009 179.211 177.584 -0.636 0.000 1.177 19 A CA 2.410 53.893 52.037 -0.922 0.000 0.636 19 A CB -0.709 17.950 19.000 -0.570 0.000 0.815 19 A HN 0.569 nan 8.150 nan 0.000 0.449 20 S N -0.703 114.799 115.700 -0.331 0.000 2.500 20 S HA -0.127 4.343 4.470 0.000 0.000 0.239 20 S C 1.399 175.894 174.600 -0.175 0.000 0.989 20 S CA 1.415 59.480 58.200 -0.225 0.000 0.951 20 S CB -0.218 62.901 63.200 -0.134 0.000 0.759 20 S HN 0.737 nan 8.310 nan 0.000 0.523 21 E N 0.110 120.215 120.200 -0.158 0.000 2.207 21 E HA 0.088 4.438 4.350 0.000 0.000 0.197 21 E C 1.516 178.108 176.600 -0.012 0.000 0.914 21 E CA 0.494 56.863 56.400 -0.052 0.000 0.914 21 E CB -0.265 29.447 29.700 0.020 0.000 0.893 21 E HN 0.769 nan 8.360 nan 0.000 0.479 22 Y N 1.272 121.571 120.300 -0.002 0.000 2.578 22 Y HA 0.295 4.845 4.550 0.000 0.000 0.297 22 Y C 0.069 175.967 175.900 -0.004 0.000 1.176 22 Y CA 0.049 58.177 58.100 0.047 0.000 1.315 22 Y CB -0.242 38.325 38.460 0.178 0.000 1.031 22 Y HN -0.192 nan 8.280 nan 0.000 0.524 23 L N 1.805 122.766 121.223 -0.437 0.000 2.322 23 L HA 0.343 4.683 4.340 0.000 0.000 0.281 23 L C 0.350 177.079 176.870 -0.235 0.000 1.014 23 L CA -1.218 53.351 54.840 -0.451 0.000 0.815 23 L CB 1.620 43.195 42.059 -0.806 0.000 1.247 23 L HN 0.239 nan 8.230 nan 0.000 0.421 24 S N 2.285 117.898 115.700 -0.145 0.000 2.817 24 S HA -0.053 4.417 4.470 0.000 0.000 0.333 24 S C -1.846 172.692 174.600 -0.103 0.000 1.227 24 S CA -0.723 57.425 58.200 -0.088 0.000 1.027 24 S CB 0.136 63.297 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 1.883 179.158 177.300 -0.041 0.000 1.163 25 P CA 1.767 64.835 63.100 -0.054 0.000 0.889 25 P CB -0.529 31.154 31.700 -0.029 0.000 0.790 26 G N -0.042 108.742 108.800 -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 0.729 45.827 45.100 -0.003 0.000 0.771 26 G HN 0.214 nan 8.290 nan 0.000 0.551 27 L N 0.878 122.079 121.223 -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 1.446 56.263 54.840 -0.038 0.000 0.747 27 L CB -0.631 41.347 42.059 -0.135 0.000 0.896 27 L HN 0.104 nan 8.230 nan 0.000 0.432 28 V N -0.400 119.458 119.914 -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 -0.028 0.000 1.053 28 V CA 2.116 64.354 62.300 -0.103 0.000 1.027 28 V CB -0.792 30.948 31.823 -0.138 0.000 0.646 28 V HN 0.650 nan 8.190 nan 0.000 0.447 29 Q N -0.753 119.050 119.800 0.004 0.000 2.084 29 Q HA -0.254 4.086 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 2.203 58.017 55.803 0.019 0.000 0.844 29 Q CB -0.233 28.522 28.738 0.029 0.000 0.898 29 Q HN 0.662 nan 8.270 nan 0.000 0.426 30 F N 0.371 120.303 119.950 -0.031 0.000 2.186 30 F HA -0.086 4.441 4.527 0.000 0.000 0.299 30 F C 1.932 177.724 175.800 -0.014 0.000 1.090 30 F CA 1.366 59.363 58.000 -0.006 0.000 1.307 30 F CB -0.331 38.677 39.000 0.015 0.000 1.019 30 F HN 0.132 nan 8.300 nan 0.000 0.489 31 A N 0.456 123.334 122.820 0.097 0.000 1.969 31 A HA -0.154 4.166 4.320 0.000 0.000 0.218 31 A C 2.338 179.843 177.584 -0.131 0.000 1.169 31 A CA 1.472 53.505 52.037 -0.006 0.000 0.635 31 A CB -0.784 18.249 19.000 0.056 0.000 0.810 31 A HN 0.489 nan 8.150 nan 0.000 0.445 32 R N -0.574 119.859 120.500 -0.113 0.000 2.115 32 R HA 0.030 4.370 4.340 0.000 0.000 0.226 32 R C 2.084 178.288 176.300 -0.160 0.000 1.100 32 R CA 1.196 57.226 56.100 -0.116 0.000 0.980 32 R CB -0.246 30.008 30.300 -0.078 0.000 0.875 32 R HN 0.419 nan 8.270 nan 0.000 0.445 33 A N -0.081 122.615 122.820 -0.207 0.000 2.021 33 A HA -0.037 4.283 4.320 0.000 0.000 0.216 33 A C 1.832 179.186 177.584 -0.382 0.000 1.163 33 A CA 1.268 53.172 52.037 -0.221 0.000 0.676 33 A CB -0.247 18.655 19.000 -0.163 0.000 0.818 33 A HN 0.515 nan 8.150 nan 0.000 0.453 34 T N -2.282 111.913 114.554 -0.599 0.000 3.129 34 T HA 0.086 4.436 4.350 0.000 0.000 0.251 34 T C 0.971 175.278 174.700 -0.655 0.000 1.117 34 T CA 0.784 62.330 62.100 -0.923 0.000 1.034 34 T CB -0.012 68.295 68.868 -0.936 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 -0.387 0.000 2.453 35 E HA -0.058 4.292 4.350 0.000 0.000 0.207 35 E C 1.355 177.820 176.600 -0.225 0.000 1.212 35 E CA 0.910 57.164 56.400 -0.243 0.000 0.959 35 E CB -0.806 28.799 29.700 -0.160 0.000 0.957 35 E HN 0.821 nan 8.360 nan 0.000 0.540 36 T N -3.533 110.814 114.554 -0.345 0.000 3.330 36 T HA 0.028 4.378 4.350 0.000 0.000 0.240 36 T C 1.662 176.314 174.700 -0.079 0.000 0.988 36 T CA 0.359 62.357 62.100 -0.171 0.000 1.253 36 T CB -0.726 68.117 68.868 -0.043 0.000 1.163 36 T HN 0.282 nan 8.240 nan 0.000 0.382 37 Y N 0.555 120.871 120.300 0.027 0.000 2.190 37 Y HA 0.602 5.152 4.550 0.000 0.000 0.290 37 Y C 0.827 176.833 175.900 0.178 0.000 1.115 37 Y CA -0.918 57.233 58.100 0.086 0.000 1.107 37 Y CB -0.460 38.052 38.460 0.087 0.000 1.033 37 Y HN 0.161 nan 8.280 nan 0.000 0.502 38 F N 1.444 121.312 119.950 -0.136 0.000 2.420 38 F HA 0.541 5.068 4.527 0.000 0.000 0.342 38 F C -0.168 175.558 175.800 -0.124 0.000 1.113 38 F CA -1.517 56.469 58.000 -0.025 0.000 1.059 38 F CB 1.634 40.721 39.000 0.145 0.000 1.128 38 F HN -0.088 nan 8.300 nan 0.000 0.475 39 S N 5.869 121.402 115.700 -0.279 0.000 2.530 39 S HA 0.511 4.981 4.470 0.000 0.000 0.322 39 S C 0.278 174.774 174.600 -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 -0.164 0.000 0.988 39 S HN 0.719 nan 8.310 nan 0.000 0.466 40 L N 4.425 125.651 121.223 0.005 0.000 2.693 40 L HA 0.252 4.592 4.340 0.000 0.000 0.235 40 L C 1.751 178.729 176.870 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 42.107 42.059 0.361 0.000 1.193 40 L HN 0.512 nan 8.230 nan 0.000 0.502 41 N N 1.702 120.454 118.700 0.087 0.000 2.104 41 N HA -0.196 4.544 4.740 0.000 0.000 0.190 41 N C 1.458 177.009 175.510 0.067 0.000 1.024 41 N CA 1.700 54.806 53.050 0.094 0.000 0.853 41 N CB -0.474 38.020 38.487 0.012 0.000 1.008 41 N HN 0.496 nan 8.380 nan 0.000 0.424 42 N N 1.367 120.056 118.700 -0.018 0.000 2.571 42 N HA -0.086 4.654 4.740 0.000 0.000 0.189 42 N C 0.512 175.949 175.510 -0.122 0.000 1.154 42 N CA 0.542 53.559 53.050 -0.056 0.000 0.907 42 N CB 0.036 38.479 38.487 -0.073 0.000 0.977 42 N HN 0.158 nan 8.380 nan 0.000 0.449 43 K N -0.204 120.066 120.400 -0.218 0.000 2.367 43 K HA 0.146 4.466 4.320 0.000 0.000 0.194 43 K C -0.498 175.617 176.600 -0.807 0.000 1.027 43 K CA 0.102 56.055 56.287 -0.557 0.000 1.075 43 K CB 0.268 32.270 32.500 -0.832 0.000 0.845 43 K HN 0.173 nan 8.250 nan 0.000 0.529 44 F N 1.109 121.051 119.950 -0.014 0.000 2.536 44 F HA 0.355 4.882 4.527 0.000 0.000 0.322 44 F C 0.395 176.190 175.800 -0.008 0.000 1.144 44 F CA -1.435 56.569 58.000 0.007 0.000 0.924 44 F CB 1.271 40.242 39.000 -0.049 0.000 1.181 44 F HN -0.290 nan 8.300 nan 0.000 0.438 45 R N 2.447 123.043 120.500 0.161 0.000 2.590 45 R HA 0.259 4.599 4.340 0.000 0.000 0.274 45 R C -0.951 175.399 176.300 0.084 0.000 1.061 45 R CA 0.069 56.222 56.100 0.088 0.000 1.081 45 R CB 0.120 30.467 30.300 0.078 0.000 0.984 45 R HN 0.592 nan 8.270 nan 0.000 0.448 46 N N 6.281 125.014 118.700 0.056 0.000 2.524 46 N HA 0.305 5.045 4.740 0.000 0.000 0.261 46 N C -2.548 172.987 175.510 0.041 0.000 0.998 46 N CA -1.328 51.752 53.050 0.049 0.000 0.915 46 N CB 1.915 40.412 38.487 0.017 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 -0.544 176.764 177.300 0.014 0.000 1.223 47 P CA -0.092 63.027 63.100 0.032 0.000 0.784 47 P CB 0.770 32.504 31.700 0.056 0.000 0.923 48 T N -1.309 113.237 114.554 -0.014 0.000 2.879 48 T HA 0.542 4.892 4.350 0.000 0.000 0.290 48 T C -0.526 174.155 174.700 -0.031 0.000 0.993 48 T CA -0.696 61.395 62.100 -0.014 0.000 0.975 48 T CB 0.852 69.709 68.868 -0.018 0.000 0.981 48 T HN 0.158 nan 8.240 nan 0.000 0.439 49 V N 2.104 122.010 119.914 -0.013 0.000 2.540 49 V HA 0.810 4.930 4.120 0.000 0.000 0.302 49 V C 0.423 176.518 176.094 0.001 0.000 1.035 49 V CA -1.130 61.161 62.300 -0.015 0.000 0.873 49 V CB 1.594 33.426 31.823 0.015 0.000 0.992 49 V HN 1.275 nan 8.190 nan 0.000 0.428 50 A N 6.377 129.195 122.820 -0.002 0.000 2.327 50 A HA 0.826 5.146 4.320 0.000 0.000 0.283 50 A C -1.714 175.882 177.584 0.020 0.000 1.127 50 A CA -1.242 50.800 52.037 0.008 0.000 0.810 50 A CB -0.031 18.972 19.000 0.006 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 0.235 177.546 177.300 0.017 0.000 1.221 51 P CA 0.522 63.609 63.100 -0.021 0.000 0.788 51 P CB 0.350 31.998 31.700 -0.087 0.000 0.904 52 T N -3.293 111.295 114.554 0.056 0.000 3.460 52 T HA 0.242 4.592 4.350 0.000 0.000 0.304 52 T C 0.078 174.912 174.700 0.223 0.000 0.991 52 T CA -0.507 61.674 62.100 0.135 0.000 0.975 52 T CB -0.855 68.114 68.868 0.169 0.000 1.196 52 T HN 0.887 nan 8.240 nan 0.000 0.490 53 H N -1.557 117.541 119.070 0.046 0.000 3.093 53 H HA 0.307 4.863 4.556 0.000 0.000 0.312 53 H C -1.640 173.718 175.328 0.051 0.000 1.213 53 H CA -0.533 55.541 56.048 0.042 0.000 1.366 53 H CB 0.130 29.915 29.762 0.037 0.000 1.998 53 H HN 0.018 nan 8.280 nan 0.000 0.522 54 D N 1.268 121.719 120.400 0.085 0.000 2.775 54 D HA -0.107 4.533 4.640 0.000 0.000 0.235 54 D C 0.527 176.844 176.300 0.028 0.000 1.120 54 D CA 1.185 55.215 54.000 0.050 0.000 0.708 54 D CB -1.518 39.303 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 0.130 4.250 4.120 0.000 0.000 0.182 55 V C 0.910 177.130 176.094 0.209 0.000 1.356 55 V CA 1.066 63.450 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 0.806 115.417 114.554 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 -0.016 0.000 1.033 56 T CA -0.016 62.093 62.100 0.016 0.000 1.033 56 T CB 2.011 70.847 68.868 -0.054 0.000 1.079 56 T HN 0.360 nan 8.240 nan 0.000 0.496 57 T N 0.369 114.880 114.554 -0.071 0.000 2.922 57 T HA 0.227 4.577 4.350 0.000 0.000 0.285 57 T C 0.210 174.835 174.700 -0.125 0.000 1.005 57 T CA -0.653 61.347 62.100 -0.166 0.000 1.061 57 T CB 0.425 69.090 68.868 -0.338 0.000 1.007 57 T HN 0.449 nan 8.240 nan 0.000 0.502 58 D N 1.498 121.822 120.400 -0.126 0.000 2.366 58 D HA 0.100 4.740 4.640 0.000 0.000 0.205 58 D C 1.071 177.329 176.300 -0.069 0.000 1.022 58 D CA 0.209 54.165 54.000 -0.072 0.000 0.868 58 D CB 0.112 40.886 40.800 -0.043 0.000 0.953 58 D HN 0.643 nan 8.370 nan 0.000 0.514 59 R N 0.541 120.978 120.500 -0.105 0.000 2.560 59 R HA 0.355 4.695 4.340 0.000 0.000 0.270 59 R C 0.349 176.629 176.300 -0.032 0.000 1.074 59 R CA -0.478 55.589 56.100 -0.055 0.000 1.140 59 R CB 0.753 31.032 30.300 -0.034 0.000 1.073 59 R HN -0.214 nan 8.270 nan 0.000 0.527 60 S N 0.833 116.529 115.700 -0.006 0.000 2.552 60 S HA -0.015 4.455 4.470 0.000 0.000 0.289 60 S C -0.576 174.029 174.600 0.008 0.000 1.304 60 S CA 0.017 58.215 58.200 -0.002 0.000 1.063 60 S CB 0.195 63.396 63.200 0.001 0.000 0.848 60 S HN 0.618 nan 8.310 nan 0.000 0.499 61 Q N 2.857 122.656 119.800 -0.002 0.000 2.403 61 Q HA 0.279 4.619 4.340 0.000 0.000 0.267 61 Q C -1.364 174.627 176.000 -0.015 0.000 0.991 61 Q CA -0.755 55.046 55.803 -0.003 0.000 0.906 61 Q CB 1.140 29.893 28.738 0.026 0.000 1.422 61 Q HN 0.700 nan 8.270 nan 0.000 0.400 62 R N 3.221 123.700 120.500 -0.035 0.000 2.390 62 R HA 0.259 4.599 4.340 0.000 0.000 0.291 62 R C 0.667 176.979 176.300 0.021 0.000 1.070 62 R CA 0.062 56.151 56.100 -0.018 0.000 1.014 62 R CB 0.785 31.061 30.300 -0.041 0.000 1.007 62 R HN 0.778 nan 8.270 nan 0.000 0.466 63 L N 1.335 122.596 121.223 0.063 0.000 2.162 63 L HA 0.007 4.347 4.340 0.000 0.000 0.205 63 L C 0.332 177.333 176.870 0.218 0.000 1.086 63 L CA 1.206 56.120 54.840 0.124 0.000 0.778 63 L CB 0.320 42.426 42.059 0.079 0.000 0.928 63 L HN 0.543 nan 8.230 nan 0.000 0.446 64 T N 0.647 115.307 114.554 0.177 0.000 2.841 64 T HA 0.479 4.829 4.350 0.000 0.000 0.285 64 T C -0.499 174.288 174.700 0.144 0.000 0.991 64 T CA -0.395 61.838 62.100 0.222 0.000 0.966 64 T CB 1.954 70.953 68.868 0.219 0.000 0.962 64 T HN -0.106 nan 8.240 nan 0.000 0.438 65 L N 2.741 124.049 121.223 0.142 0.000 2.331 65 L HA 0.671 5.011 4.340 0.000 0.000 0.275 65 L C 0.284 176.919 176.870 -0.392 0.000 1.022 65 L CA -1.040 53.709 54.840 -0.151 0.000 0.812 65 L CB 1.860 43.804 42.059 -0.191 0.000 1.257 65 L HN 0.379 nan 8.230 nan 0.000 0.435 66 R N 1.722 121.831 120.500 -0.652 0.000 2.480 66 R HA 0.574 4.914 4.340 0.000 0.000 0.306 66 R C -1.720 174.123 176.300 -0.762 0.000 0.958 66 R CA -0.458 55.159 56.100 -0.806 0.000 0.861 66 R CB 1.228 31.116 30.300 -0.688 0.000 1.171 66 R HN 0.333 nan 8.270 nan 0.000 0.445 67 F N 4.497 124.316 119.950 -0.217 0.000 2.469 67 F HA 0.480 5.007 4.527 0.000 0.000 0.332 67 F C 0.278 176.127 175.800 0.081 0.000 1.103 67 F CA -0.991 56.997 58.000 -0.019 0.000 0.979 67 F CB 1.374 40.405 39.000 0.053 0.000 1.137 67 F HN 0.151 nan 8.300 nan 0.000 0.463 68 I N 3.276 124.054 120.570 0.348 0.000 2.498 68 I HA 0.344 4.514 4.170 0.000 0.000 0.301 68 I C -2.311 174.094 176.117 0.480 0.000 0.984 68 I CA -3.025 58.478 61.300 0.339 0.000 1.204 68 I CB 1.343 39.439 38.000 0.160 0.000 1.362 68 I HN 0.253 nan 8.210 nan 0.000 0.471 69 P HA 0.021 nan 4.420 nan 0.000 0.268 69 P C 0.752 177.916 177.300 -0.226 0.000 1.204 69 P CA 0.181 62.994 63.100 -0.478 0.000 0.768 69 P CB 0.968 32.362 31.700 -0.510 0.000 0.842 70 V N 1.803 121.557 119.914 -0.266 0.000 3.052 70 V HA 0.046 4.166 4.120 0.000 0.000 0.254 70 V C 0.143 176.143 176.094 -0.156 0.000 1.100 70 V CA 1.449 63.680 62.300 -0.116 0.000 1.112 70 V CB -0.396 31.399 31.823 -0.047 0.000 0.738 70 V HN 0.598 nan 8.190 nan 0.000 0.469 71 D N -0.713 119.530 120.400 -0.262 0.000 2.886 71 D HA 0.444 5.084 4.640 0.000 0.000 0.216 71 D C -0.783 175.335 176.300 -0.303 0.000 1.256 71 D CA -0.441 53.424 54.000 -0.225 0.000 0.844 71 D CB 1.410 42.105 40.800 -0.175 0.000 1.669 71 D HN 0.182 nan 8.370 nan 0.000 0.513 72 R N 2.206 122.552 120.500 -0.256 0.000 2.686 72 R HA 0.575 4.915 4.340 0.000 0.000 0.283 72 R C -0.873 175.228 176.300 -0.331 0.000 0.978 72 R CA -0.872 55.033 56.100 -0.325 0.000 0.897 72 R CB 2.223 32.368 30.300 -0.259 0.000 1.192 72 R HN 0.340 nan 8.270 nan 0.000 0.457 73 E N 1.622 121.548 120.200 -0.458 0.000 2.580 73 E HA 0.062 4.412 4.350 0.000 0.000 0.248 73 E C -1.618 174.711 176.600 -0.451 0.000 1.018 73 E CA -0.482 55.702 56.400 -0.360 0.000 0.775 73 E CB 1.498 31.045 29.700 -0.255 0.000 1.378 73 E HN 0.349 nan 8.360 nan 0.000 0.401 74 D N 2.204 122.379 120.400 -0.375 0.000 2.336 74 D HA 0.126 4.766 4.640 0.000 0.000 0.249 74 D C -0.494 175.774 176.300 -0.054 0.000 1.213 74 D CA 0.474 54.397 54.000 -0.129 0.000 0.870 74 D CB 0.830 41.734 40.800 0.174 0.000 1.076 74 D HN 0.102 nan 8.370 nan 0.000 0.483 75 T N 1.987 116.509 114.554 -0.053 0.000 2.919 75 T HA 0.544 4.894 4.350 0.000 0.000 0.282 75 T C 1.449 176.068 174.700 -0.136 0.000 1.020 75 T CA -0.065 61.953 62.100 -0.135 0.000 0.994 75 T CB 1.405 70.128 68.868 -0.242 0.000 1.180 75 T HN 0.334 nan 8.240 nan 0.000 0.566 76 A N 0.524 123.203 122.820 -0.235 0.000 1.896 76 A HA -0.165 4.155 4.320 0.000 0.000 0.220 76 A C 1.503 179.017 177.584 -0.115 0.000 1.206 76 A CA 2.480 54.402 52.037 -0.191 0.000 0.647 76 A CB -0.947 17.922 19.000 -0.218 0.000 0.828 76 A HN 0.956 nan 8.150 nan 0.000 0.455 77 Y N -2.113 118.188 120.300 0.001 0.000 2.563 77 Y HA 0.521 5.071 4.550 0.000 0.000 0.250 77 Y C 0.297 176.340 175.900 0.240 0.000 1.126 77 Y CA -0.553 57.589 58.100 0.070 0.000 1.231 77 Y CB -0.546 37.893 38.460 -0.036 0.000 1.288 77 Y HN 0.360 nan 8.280 nan 0.000 0.537 78 S N -0.882 114.907 115.700 0.149 0.000 2.618 78 S HA 0.641 5.111 4.470 0.000 0.000 0.277 78 S C -1.931 172.865 174.600 0.328 0.000 1.138 78 S CA -0.704 57.722 58.200 0.378 0.000 0.844 78 S CB 2.300 65.731 63.200 0.385 0.000 1.127 78 S HN 0.243 nan 8.310 nan 0.000 0.474 79 Y N 0.616 121.095 120.300 0.298 0.000 2.391 79 Y HA 0.682 5.232 4.550 0.000 0.000 0.341 79 Y C -0.590 175.432 175.900 0.203 0.000 0.965 79 Y CA -0.540 57.695 58.100 0.226 0.000 1.067 79 Y CB 1.830 40.459 38.460 0.282 0.000 1.199 79 Y HN 0.957 nan 8.280 nan 0.000 0.450 80 K N 4.098 124.385 120.400 -0.187 0.000 2.376 80 K HA 0.881 5.201 4.320 0.000 0.000 0.257 80 K C -1.825 174.657 176.600 -0.197 0.000 0.939 80 K CA -0.635 55.589 56.287 -0.105 0.000 0.809 80 K CB 1.196 33.596 32.500 -0.166 0.000 1.121 80 K HN 0.688 nan 8.250 nan 0.000 0.425 81 A N 4.376 127.194 122.820 -0.003 0.000 2.359 81 A HA 0.591 4.911 4.320 0.000 0.000 0.303 81 A C -1.274 176.212 177.584 -0.163 0.000 1.066 81 A CA -0.799 51.163 52.037 -0.126 0.000 0.730 81 A CB 1.203 20.324 19.000 0.201 0.000 1.211 81 A HN 0.792 nan 8.150 nan 0.000 0.439 82 R N 2.011 122.162 120.500 -0.581 0.000 2.534 82 R HA 0.744 5.084 4.340 0.000 0.000 0.301 82 R C -1.883 174.076 176.300 -0.569 0.000 0.961 82 R CA -0.371 55.548 56.100 -0.302 0.000 0.871 82 R CB 0.965 31.180 30.300 -0.143 0.000 1.170 82 R HN 0.597 nan 8.270 nan 0.000 0.446 83 F N 0.177 120.189 119.950 0.103 0.000 2.599 83 F HA 0.345 4.872 4.527 0.000 0.000 0.311 83 F C -0.021 175.832 175.800 0.087 0.000 1.076 83 F CA -1.130 56.936 58.000 0.110 0.000 0.937 83 F CB 1.985 41.077 39.000 0.152 0.000 1.282 83 F HN 0.223 nan 8.300 nan 0.000 0.460 84 T N 3.630 118.326 114.554 0.237 0.000 2.997 84 T HA 0.285 4.635 4.350 0.000 0.000 0.311 84 T C -0.317 174.350 174.700 -0.055 0.000 1.079 84 T CA -0.217 61.955 62.100 0.119 0.000 0.982 84 T CB -0.170 68.761 68.868 0.105 0.000 1.032 84 T HN 0.444 nan 8.240 nan 0.000 0.581 85 L N 4.456 125.612 121.223 -0.113 0.000 2.456 85 L HA 0.512 4.852 4.340 0.000 0.000 0.277 85 L C 0.160 176.973 176.870 -0.094 0.000 1.124 85 L CA -0.334 54.255 54.840 -0.419 0.000 0.880 85 L CB -0.795 41.144 42.059 -0.201 0.000 1.192 85 L HN 0.593 nan 8.230 nan 0.000 0.463 86 A N 5.357 128.127 122.820 -0.083 0.000 2.271 86 A HA 0.631 4.951 4.320 0.000 0.000 0.317 86 A C -0.510 177.258 177.584 0.308 0.000 1.245 86 A CA -0.587 51.557 52.037 0.178 0.000 0.857 86 A CB 0.975 20.103 19.000 0.215 0.000 1.175 86 A HN 0.505 nan 8.150 nan 0.000 0.512 87 V N 4.094 124.192 119.914 0.306 0.000 2.218 87 V HA 0.334 4.454 4.120 0.000 0.000 0.261 87 V C 1.333 177.538 176.094 0.185 0.000 1.142 87 V CA -0.034 62.480 62.300 0.357 0.000 0.965 87 V CB 0.008 32.077 31.823 0.410 0.000 1.190 87 V HN 1.148 nan 8.190 nan 0.000 0.478 88 G N 3.159 112.002 108.800 0.072 0.000 3.026 88 G HA2 -0.059 3.901 3.960 0.000 0.000 0.232 88 G HA3 -0.059 3.901 3.960 0.000 0.000 0.232 88 G C 0.116 175.016 174.900 -0.001 0.000 1.241 88 G CA -0.215 44.883 45.100 -0.003 0.000 0.858 88 G HN 0.612 nan 8.290 nan 0.000 0.592 89 D N 0.355 120.734 120.400 -0.035 0.000 2.352 89 D HA -0.053 4.587 4.640 0.000 0.000 0.238 89 D C 0.811 177.043 176.300 -0.114 0.000 1.286 89 D CA 0.236 54.206 54.000 -0.050 0.000 0.923 89 D CB 0.232 40.995 40.800 -0.062 0.000 1.146 89 D HN 0.501 nan 8.370 nan 0.000 0.471 90 N N 0.195 118.830 118.700 -0.108 0.000 2.666 90 N HA -0.240 4.500 4.740 0.000 0.000 0.248 90 N C -0.468 175.018 175.510 -0.040 0.000 1.118 90 N CA 1.116 54.078 53.050 -0.147 0.000 0.722 90 N CB -0.585 37.594 38.487 -0.515 0.000 1.050 90 N HN 0.431 nan 8.380 nan 0.000 0.550 91 R N -0.697 119.830 120.500 0.046 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 0.219 0.000 0.995 91 R CA -0.916 55.282 56.100 0.163 0.000 0.917 91 R CB 2.346 32.725 30.300 0.132 0.000 1.217 91 R HN -0.002 nan 8.270 nan 0.000 0.471 92 V N -0.593 119.493 119.914 0.287 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 0.195 0.000 1.104 92 V CA -1.059 61.362 62.300 0.202 0.000 0.954 92 V CB 2.002 33.896 31.823 0.119 0.000 1.022 92 V HN 0.580 nan 8.190 nan 0.000 0.427 93 L N 2.382 123.625 121.223 0.033 0.000 2.381 93 L HA 0.686 5.026 4.340 0.000 0.000 0.274 93 L C -0.698 176.070 176.870 -0.169 0.000 0.988 93 L CA 0.051 54.767 54.840 -0.207 0.000 0.824 93 L CB 1.643 43.478 42.059 -0.372 0.000 1.263 93 L HN 0.940 nan 8.230 nan 0.000 0.410 94 D N 5.319 125.625 120.400 -0.157 0.000 2.347 94 D HA 0.116 4.756 4.640 0.000 0.000 0.235 94 D C 1.159 177.368 176.300 -0.152 0.000 1.149 94 D CA -0.352 53.584 54.000 -0.107 0.000 0.850 94 D CB 1.151 41.924 40.800 -0.045 0.000 1.061 94 D HN 0.576 nan 8.370 nan 0.000 0.487 95 M N 2.912 122.403 119.600 -0.182 0.000 2.260 95 M HA -0.174 4.306 4.480 0.000 0.000 0.261 95 M C 1.890 178.098 176.300 -0.153 0.000 1.066 95 M CA 0.789 55.958 55.300 -0.218 0.000 1.082 95 M CB -1.182 31.258 32.600 -0.268 0.000 1.388 95 M HN 0.512 nan 8.290 nan 0.000 0.419 96 A N -0.114 122.647 122.820 -0.097 0.000 2.178 96 A HA -0.067 4.253 4.320 0.000 0.000 0.218 96 A C 2.109 179.718 177.584 0.041 0.000 1.157 96 A CA 1.703 53.718 52.037 -0.037 0.000 0.689 96 A CB -0.686 18.314 19.000 -0.001 0.000 0.787 96 A HN 0.604 nan 8.150 nan 0.000 0.465 97 S N -0.621 115.091 115.700 0.021 0.000 2.597 97 S HA 0.180 4.650 4.470 0.000 0.000 0.224 97 S C 0.616 175.266 174.600 0.083 0.000 0.955 97 S CA 0.309 58.571 58.200 0.103 0.000 0.933 97 S CB -0.879 62.355 63.200 0.057 0.000 0.788 97 S HN 0.598 nan 8.310 nan 0.000 0.488 98 T N -0.152 114.401 114.554 -0.001 0.000 2.945 98 T HA 0.751 5.101 4.350 0.000 0.000 0.286 98 T C -0.746 173.948 174.700 -0.009 0.000 1.025 98 T CA -0.760 61.274 62.100 -0.110 0.000 1.039 98 T CB 1.198 69.946 68.868 -0.200 0.000 1.068 98 T HN 0.697 nan 8.240 nan 0.000 0.497 99 Y N -1.619 118.620 120.300 -0.102 0.000 2.662 99 Y HA 0.630 5.181 4.550 0.000 0.000 0.334 99 Y C -2.069 173.721 175.900 -0.183 0.000 1.185 99 Y CA -2.599 55.414 58.100 -0.144 0.000 1.074 99 Y CB 0.466 39.051 38.460 0.209 0.000 1.330 99 Y HN 0.646 nan 8.280 nan 0.000 0.458 100 F N 1.789 121.924 119.950 0.308 0.000 2.411 100 F HA 0.341 4.868 4.527 0.000 0.000 0.355 100 F C 0.072 176.023 175.800 0.251 0.000 1.117 100 F CA -0.242 57.853 58.000 0.158 0.000 1.139 100 F CB 1.107 40.153 39.000 0.077 0.000 1.120 100 F HN 0.593 nan 8.300 nan 0.000 0.493 101 D N 4.804 125.479 120.400 0.458 0.000 2.317 101 D HA 0.474 5.114 4.640 0.000 0.000 0.234 101 D C -0.763 175.670 176.300 0.223 0.000 1.112 101 D CA -0.059 54.186 54.000 0.408 0.000 0.840 101 D CB 0.702 41.849 40.800 0.578 0.000 1.078 101 D HN 0.310 nan 8.370 nan 0.000 0.486 102 I N 3.844 124.498 120.570 0.140 0.000 2.465 102 I HA 0.481 4.651 4.170 0.000 0.000 0.291 102 I C -0.085 176.062 176.117 0.050 0.000 1.014 102 I CA -0.919 60.385 61.300 0.006 0.000 1.093 102 I CB 1.813 39.722 38.000 -0.152 0.000 1.267 102 I HN 0.183 nan 8.210 nan 0.000 0.431 103 R N 4.148 124.572 120.500 -0.126 0.000 2.532 103 R HA 0.818 5.158 4.340 0.000 0.000 0.297 103 R C -0.401 175.629 176.300 -0.451 0.000 0.984 103 R CA -0.763 55.146 56.100 -0.319 0.000 0.884 103 R CB 2.411 32.506 30.300 -0.343 0.000 1.182 103 R HN 0.878 nan 8.270 nan 0.000 0.442 104 G N 0.616 108.846 108.800 -0.949 0.000 2.554 104 G HA2 0.418 4.378 3.960 0.000 0.000 0.306 104 G HA3 0.418 4.378 3.960 0.000 0.000 0.306 104 G C -1.834 172.580 174.900 -0.810 0.000 1.320 104 G CA -0.463 44.182 45.100 -0.760 0.000 0.800 104 G HN 0.378 nan 8.290 nan 0.000 0.481 105 V N -0.382 119.364 119.914 -0.279 0.000 2.667 105 V HA 0.899 5.019 4.120 0.000 0.000 0.308 105 V C -1.105 175.136 176.094 0.245 0.000 1.048 105 V CA -0.788 61.501 62.300 -0.019 0.000 0.928 105 V CB 1.410 33.224 31.823 -0.014 0.000 1.004 105 V HN 1.205 nan 8.190 nan 0.000 0.444 106 L N 4.796 126.191 121.223 0.287 0.000 2.436 106 L HA 0.753 5.093 4.340 0.000 0.000 0.268 106 L C -1.419 175.488 176.870 0.063 0.000 0.974 106 L CA -0.056 54.895 54.840 0.184 0.000 0.826 106 L CB 2.045 44.197 42.059 0.155 0.000 1.291 106 L HN 0.799 nan 8.230 nan 0.000 0.406 107 D N 3.140 123.539 120.400 -0.002 0.000 2.462 107 D HA 0.346 4.986 4.640 0.000 0.000 0.245 107 D C 0.491 176.694 176.300 -0.162 0.000 1.122 107 D CA -0.367 53.615 54.000 -0.030 0.000 0.864 107 D CB 1.514 42.365 40.800 0.085 0.000 1.098 107 D HN 0.629 nan 8.370 nan 0.000 0.541 108 R N 1.971 122.295 120.500 -0.292 0.000 2.316 108 R HA 0.294 4.634 4.340 0.000 0.000 0.202 108 R C 1.328 177.500 176.300 -0.214 0.000 1.029 108 R CA 0.612 56.508 56.100 -0.340 0.000 1.018 108 R CB -0.131 29.772 30.300 -0.661 0.000 0.888 108 R HN 0.659 nan 8.270 nan 0.000 0.471 109 G N 0.394 109.080 108.800 -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 0.059 nan 8.290 nan 0.000 0.538 110 P HA 0.019 nan 4.420 nan 0.000 0.241 110 P C 1.504 178.655 177.300 -0.248 0.000 1.191 110 P CA 1.965 64.981 63.100 -0.140 0.000 0.771 110 P CB 0.006 31.655 31.700 -0.085 0.000 0.929 111 T N -4.576 109.786 114.554 -0.319 0.000 3.129 111 T HA 0.062 4.412 4.350 0.000 0.000 0.251 111 T C 0.307 174.629 174.700 -0.630 0.000 1.117 111 T CA -0.524 61.150 62.100 -0.710 0.000 1.034 111 T CB -0.964 67.525 68.868 -0.632 0.000 0.968 111 T HN -0.135 nan 8.240 nan 0.000 0.526 112 F N 2.800 122.472 119.950 -0.464 0.000 2.472 112 F HA 0.509 5.036 4.527 0.000 0.000 0.364 112 F C 0.240 175.798 175.800 -0.405 0.000 1.090 112 F CA -1.276 56.498 58.000 -0.376 0.000 1.188 112 F CB 0.523 39.356 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 -2.622 173.228 176.600 -1.250 0.000 1.022 113 K CA -1.698 53.925 56.287 -1.106 0.000 1.045 113 K CB 1.347 33.368 32.500 -0.798 0.000 1.227 113 K HN 0.299 nan 8.250 nan 0.000 0.516 114 P HA 0.002 nan 4.420 nan 0.000 0.269 114 P C -1.427 175.657 177.300 -0.360 0.000 1.601 114 P CA 0.197 62.772 63.100 -0.876 0.000 0.831 114 P CB -0.704 30.793 31.700 -0.338 0.000 1.688 115 Y N -5.017 114.978 120.300 -0.508 0.000 2.717 115 Y HA 0.495 5.045 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 56.637 58.100 -0.210 0.000 1.128 115 Y CB -0.211 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 1.229 117.004 115.700 0.125 0.000 2.617 116 S HA 0.807 5.277 4.470 0.000 0.000 0.283 116 S C 0.419 175.124 174.600 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 1.119 109.992 108.800 0.122 0.000 2.568 117 G HA2 -0.080 3.880 3.960 0.000 0.000 0.222 117 G HA3 -0.080 3.880 3.960 0.000 0.000 0.222 117 G C -0.267 174.733 174.900 0.167 0.000 1.321 117 G CA -0.128 45.072 45.100 0.167 0.000 0.893 117 G HN 0.967 nan 8.290 nan 0.000 0.569 118 T N -1.395 113.186 114.554 0.046 0.000 2.916 118 T HA 0.759 5.109 4.350 0.000 0.000 0.292 118 T C 1.085 175.634 174.700 -0.253 0.000 1.055 118 T CA 0.754 62.803 62.100 -0.085 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 2.108 124.639 122.820 -0.481 0.000 2.238 119 A HA 0.381 4.701 4.320 0.000 0.000 0.210 119 A C -0.415 176.650 177.584 -0.866 0.000 1.179 119 A CA 0.233 51.791 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 0.091 175.909 175.900 -0.137 0.000 0.962 120 Y CA -1.183 56.861 58.100 -0.093 0.000 1.167 120 Y CB 0.819 39.266 38.460 -0.023 0.000 1.148 120 Y HN 0.248 nan 8.280 nan 0.000 0.463 121 N N 1.095 119.840 118.700 0.074 0.000 2.725 121 N HA -0.232 4.508 4.740 0.000 0.000 0.251 121 N C 0.859 176.407 175.510 0.063 0.000 1.031 121 N CA 0.772 53.867 53.050 0.076 0.000 0.720 121 N CB -0.740 37.815 38.487 0.113 0.000 0.930 121 N HN 0.926 nan 8.380 nan 0.000 0.543 122 A N -0.236 122.594 122.820 0.016 0.000 2.019 122 A HA -0.030 4.290 4.320 0.000 0.000 0.219 122 A C 2.162 179.909 177.584 0.273 0.000 1.164 122 A CA 0.953 53.065 52.037 0.125 0.000 0.644 122 A CB -0.075 18.955 19.000 0.051 0.000 0.805 122 A HN 0.438 nan 8.150 nan 0.000 0.449 123 L N -0.747 120.578 121.223 0.170 0.000 2.554 123 L HA 0.145 4.485 4.340 0.000 0.000 0.226 123 L C 1.345 178.303 176.870 0.147 0.000 1.137 123 L CA -0.020 54.904 54.840 0.140 0.000 0.863 123 L CB -0.414 41.701 42.059 0.094 0.000 0.985 123 L HN 0.367 nan 8.230 nan 0.000 0.451 124 A N 0.794 123.735 122.820 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 -1.153 50.988 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 1.987 122.281 120.400 -0.176 0.000 2.589 126 K HA -0.070 4.250 4.320 0.000 0.000 0.195 126 K C 1.625 178.169 176.600 -0.094 0.000 1.040 126 K CA 1.256 57.386 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 0.209 108.983 108.800 -0.042 0.000 2.944 127 G HA2 0.196 4.156 3.960 0.000 0.000 0.223 127 G HA3 0.196 4.156 3.960 0.000 0.000 0.223 127 G C 0.132 175.045 174.900 0.021 0.000 1.071 127 G CA -0.115 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 2.089 124.937 122.820 0.047 0.000 2.520 128 A HA 0.571 4.891 4.320 0.000 0.000 0.245 128 A C -1.942 175.705 177.584 0.105 0.000 1.072 128 A CA -0.663 51.426 52.037 0.087 0.000 0.761 128 A CB 0.371 19.435 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 -0.798 176.606 177.300 0.174 0.000 1.278 129 P CA -0.876 62.298 63.100 0.124 0.000 0.834 129 P CB 0.989 32.736 31.700 0.078 0.000 1.150 130 N N 0.597 119.384 118.700 0.145 0.000 2.513 130 N HA 0.247 4.987 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 -1.363 51.767 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 0.001 nan 4.420 nan 0.000 0.260 131 P C -0.285 177.116 177.300 0.168 0.000 1.185 131 P CA 0.080 63.252 63.100 0.121 0.000 0.763 131 P CB 0.197 31.919 31.700 0.036 0.000 0.776 132 C N 1.834 121.295 119.300 0.268 0.000 3.307 132 C HA 0.773 5.233 4.460 0.000 0.000 0.350 132 C C -0.931 174.272 174.990 0.356 0.000 1.549 132 C CA -0.802 58.383 59.018 0.278 0.000 1.396 132 C CB 1.830 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 -0.751 119.661 120.200 0.353 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 0.424 0.000 0.918 133 E CA -0.217 56.356 56.400 0.287 0.000 0.764 133 E CB 2.405 32.170 29.700 0.108 0.000 1.252 133 E HN 0.901 nan 8.360 nan 0.000 0.449 134 W N 0.388 121.752 121.300 0.108 0.000 2.923 134 W HA 0.582 5.242 4.660 0.000 0.000 0.373 134 W C -1.568 175.029 176.519 0.130 0.000 1.205 134 W CA -0.596 56.800 57.345 0.084 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 0.198 118.843 119.070 -0.709 0.000 2.573 166 H HA 0.841 5.397 4.556 0.000 0.000 0.351 166 H C -0.411 174.438 175.328 -0.798 0.000 1.163 166 H CA -0.739 54.801 56.048 -0.847 0.000 1.205 166 H CB 1.451 30.431 29.762 -1.304 0.000 1.605 166 H HN 0.387 nan 8.280 nan 0.000 0.525 167 V N 2.348 122.068 119.914 -0.324 0.000 2.656 167 V HA 0.294 4.414 4.120 0.000 0.000 0.307 167 V C -1.226 174.920 176.094 0.088 0.000 1.051 167 V CA -0.794 61.433 62.300 -0.122 0.000 0.893 167 V CB 1.751 33.464 31.823 -0.184 0.000 0.999 167 V HN 0.639 nan 8.190 nan 0.000 0.426 168 F N 3.663 123.679 119.950 0.110 0.000 2.577 168 F HA 0.850 5.377 4.527 0.000 0.000 0.344 168 F C 0.202 176.053 175.800 0.084 0.000 1.145 168 F CA -0.103 57.992 58.000 0.158 0.000 0.996 168 F CB 1.313 40.511 39.000 0.330 0.000 1.248 168 F HN 0.645 nan 8.300 nan 0.000 0.447 169 G N 4.078 112.626 108.800 -0.420 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 -2.110 172.577 174.900 -0.356 0.000 1.283 169 G CA -0.769 44.139 45.100 -0.320 0.000 0.805 169 G HN 0.633 nan 8.290 nan 0.000 0.548 170 Q N -1.162 118.524 119.800 -0.190 0.000 2.309 170 Q HA 0.610 4.950 4.340 0.000 0.000 0.273 170 Q C -1.721 174.247 176.000 -0.054 0.000 1.040 170 Q CA -0.938 54.785 55.803 -0.133 0.000 0.834 170 Q CB 2.144 30.817 28.738 -0.108 0.000 1.345 170 Q HN 1.070 nan 8.270 nan 0.000 0.414 171 A N 4.689 127.491 122.820 -0.030 0.000 2.431 171 A HA 0.510 4.830 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 0.759 19.782 19.000 0.039 0.000 1.135 171 A HN 0.732 nan 8.150 nan 0.000 0.483 172 P HA 0.003 nan 4.420 nan 0.000 0.238 172 P C 0.017 177.367 177.300 0.083 0.000 1.183 172 P CA 0.455 63.589 63.100 0.057 0.000 0.813 172 P CB 0.115 31.851 31.700 0.059 0.000 0.944 173 Y N 1.545 121.847 120.300 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 0.020 0.000 1.094 173 Y CA -0.401 57.701 58.100 0.002 0.000 1.253 173 Y CB 0.720 39.172 38.460 -0.013 0.000 1.203 173 Y HN -0.211 nan 8.280 nan 0.000 0.508 174 S N 5.105 120.400 115.700 -0.675 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 -0.609 0.000 1.079 174 S CA -0.218 57.722 58.200 -0.433 0.000 1.104 174 S CB -0.313 62.726 63.200 -0.268 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 -0.204 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 -0.044 0.000 1.240 175 G CA -0.811 44.264 45.100 -0.041 0.000 1.002 175 G HN 0.697 nan 8.290 nan 0.000 0.493 176 I N -0.544 119.980 120.570 -0.077 0.000 2.193 176 I HA 0.007 4.177 4.170 0.000 0.000 0.240 176 I C 0.981 176.851 176.117 -0.412 0.000 1.084 176 I CA 1.069 62.267 61.300 -0.171 0.000 1.365 176 I CB 0.062 37.976 38.000 -0.144 0.000 1.064 176 I HN 0.458 nan 8.210 nan 0.000 0.410 177 N N -0.977 117.509 118.700 -0.356 0.000 2.825 177 N HA 0.483 5.223 4.740 0.000 0.000 0.253 177 N C -1.570 173.934 175.510 -0.011 0.000 1.426 177 N CA -0.591 52.150 53.050 -0.515 0.000 0.851 177 N CB 1.675 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 1.254 121.958 120.570 0.223 0.000 2.447 178 I HA 0.421 4.591 4.170 0.000 0.000 0.287 178 I C -0.161 176.123 176.117 0.279 0.000 1.023 178 I CA -0.513 60.986 61.300 0.332 0.000 1.083 178 I CB 1.819 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 1.104 115.846 114.554 0.313 0.000 2.742 179 T HA 0.360 4.710 4.350 0.000 0.000 0.282 179 T C 0.628 175.387 174.700 0.099 0.000 1.025 179 T CA -0.727 61.472 62.100 0.164 0.000 1.020 179 T CB 1.748 70.728 68.868 0.187 0.000 1.317 179 T HN 0.383 nan 8.240 nan 0.000 0.538 180 K N 0.380 120.730 120.400 -0.084 0.000 2.442 180 K HA 0.003 4.323 4.320 0.000 0.000 0.198 180 K C 1.675 178.282 176.600 0.011 0.000 1.044 180 K CA 1.234 57.440 56.287 -0.136 0.000 0.948 180 K CB -0.379 32.011 32.500 -0.183 0.000 0.762 180 K HN 0.563 nan 8.250 nan 0.000 0.472 181 E N -0.286 119.831 120.200 -0.138 0.000 2.435 181 E HA 0.101 4.451 4.350 0.000 0.000 0.195 181 E C 0.887 177.353 176.600 -0.224 0.000 1.029 181 E CA 0.764 56.892 56.400 -0.453 0.000 0.865 181 E CB 0.231 29.067 29.700 -1.441 0.000 0.833 181 E HN 0.425 nan 8.360 nan 0.000 0.510 182 G N 1.678 110.563 108.800 0.143 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 -0.283 174.888 174.900 0.452 0.000 1.237 182 G CA -0.422 44.836 45.100 0.262 0.000 1.060 182 G HN 0.216 nan 8.290 nan 0.000 0.514 183 I N -1.406 119.425 120.570 0.434 0.000 2.474 183 I HA 0.655 4.825 4.170 0.000 0.000 0.287 183 I C 0.269 176.552 176.117 0.277 0.000 1.048 183 I CA -0.509 61.003 61.300 0.354 0.000 1.383 183 I CB 1.399 39.594 38.000 0.324 0.000 1.412 183 I HN 0.686 nan 8.210 nan 0.000 0.531 184 Q N 6.164 126.020 119.800 0.094 0.000 2.296 184 Q HA 0.345 4.685 4.340 0.000 0.000 0.257 184 Q C 0.536 176.513 176.000 -0.038 0.000 0.942 184 Q CA -0.554 55.136 55.803 -0.187 0.000 0.939 184 Q CB 1.440 29.973 28.738 -0.342 0.000 1.198 184 Q HN 0.933 nan 8.270 nan 0.000 0.429 185 I N 0.557 121.101 120.570 -0.043 0.000 3.793 185 I HA 0.475 4.645 4.170 0.000 0.000 0.315 185 I C 0.631 176.750 176.117 0.003 0.000 1.275 185 I CA 0.208 61.539 61.300 0.051 0.000 1.214 185 I CB 0.245 38.239 38.000 -0.010 0.000 1.018 185 I HN 0.651 nan 8.210 nan 0.000 0.439 186 G N 1.373 110.127 108.800 -0.077 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 -1.158 173.675 174.900 -0.112 0.000 1.277 186 G CA 0.046 45.103 45.100 -0.073 0.000 0.927 186 G HN 0.722 nan 8.290 nan 0.000 0.477 187 V N -3.418 116.453 119.914 -0.072 0.000 2.766 187 V HA 0.592 4.712 4.120 0.000 0.000 0.286 187 V C -0.646 175.429 176.094 -0.032 0.000 1.237 187 V CA -0.814 61.446 62.300 -0.066 0.000 0.934 187 V CB 1.288 33.069 31.823 -0.071 0.000 1.068 187 V HN 0.802 nan 8.190 nan 0.000 0.451 188 E N 3.827 124.016 120.200 -0.019 0.000 1.833 188 E HA 0.397 4.747 4.350 0.000 0.000 0.258 188 E C 1.330 177.928 176.600 -0.004 0.000 1.257 188 E CA 0.996 57.393 56.400 -0.005 0.000 1.003 188 E CB 0.373 30.076 29.700 0.005 0.000 1.068 188 E HN 1.472 nan 8.360 nan 0.000 0.422 189 G N 3.837 112.634 108.800 -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 0.880 175.776 174.900 -0.007 0.000 1.366 189 G CA 0.418 45.516 45.100 -0.004 0.000 1.020 189 G HN 0.548 nan 8.290 nan 0.000 0.621 190 Q N 0.327 120.125 119.800 -0.004 0.000 2.378 190 Q HA 0.244 4.584 4.340 0.000 0.000 0.229 190 Q C 0.717 176.715 176.000 -0.003 0.000 0.882 190 Q CA 0.800 56.601 55.803 -0.004 0.000 0.936 190 Q CB 0.783 29.521 28.738 0.001 0.000 1.092 190 Q HN 0.545 nan 8.270 nan 0.000 0.535 191 T N 2.553 117.107 114.554 0.000 0.000 2.899 191 T HA 0.312 4.662 4.350 0.000 0.000 0.284 191 T C -2.541 172.148 174.700 -0.018 0.000 1.004 191 T CA -1.387 60.717 62.100 0.007 0.000 1.043 191 T CB 1.238 70.120 68.868 0.023 0.000 1.013 191 T HN -0.142 nan 8.240 nan 0.000 0.518 192 P HA 0.389 nan 4.420 nan 0.000 0.301 192 P C -0.855 176.335 177.300 -0.184 0.000 1.348 192 P CA -0.864 62.152 63.100 -0.141 0.000 0.826 192 P CB 0.721 32.312 31.700 -0.182 0.000 0.945 193 K N 3.360 123.645 120.400 -0.193 0.000 2.234 193 K HA 0.348 4.668 4.320 0.000 0.000 0.282 193 K C -0.318 176.137 176.600 -0.243 0.000 1.039 193 K CA -0.289 55.928 56.287 -0.118 0.000 0.928 193 K CB 0.179 32.645 32.500 -0.056 0.000 1.039 193 K HN 0.425 nan 8.250 nan 0.000 0.470 194 Y N -0.084 120.220 120.300 0.006 0.000 2.487 194 Y HA 0.454 5.004 4.550 0.000 0.000 0.337 194 Y C 0.656 176.530 175.900 -0.044 0.000 1.076 194 Y CA -1.104 57.001 58.100 0.008 0.000 1.115 194 Y CB 1.546 40.026 38.460 0.034 0.000 1.235 194 Y HN 0.620 nan 8.280 nan 0.000 0.468 195 A N 1.506 124.379 122.820 0.089 0.000 2.498 195 A HA 0.049 4.369 4.320 0.000 0.000 0.239 195 A C -0.141 177.350 177.584 -0.156 0.000 1.068 195 A CA -0.286 51.662 52.037 -0.148 0.000 0.766 195 A CB -0.064 18.760 19.000 -0.293 0.000 1.003 195 A HN 0.708 nan 8.150 nan 0.000 0.497 196 D N 2.058 122.257 120.400 -0.335 0.000 2.352 196 D HA 0.097 4.737 4.640 0.000 0.000 0.245 196 D C 1.022 177.137 176.300 -0.308 0.000 1.224 196 D CA -0.005 53.840 54.000 -0.257 0.000 0.879 196 D CB 0.485 41.130 40.800 -0.259 0.000 1.057 196 D HN 0.550 nan 8.370 nan 0.000 0.491 197 K N 1.295 121.640 120.400 -0.091 0.000 2.127 197 K HA -0.239 4.081 4.320 0.000 0.000 0.212 197 K C 1.904 178.482 176.600 -0.037 0.000 1.050 197 K CA 2.090 58.380 56.287 0.006 0.000 0.929 197 K CB -0.256 32.337 32.500 0.156 0.000 0.715 197 K HN 0.566 nan 8.250 nan 0.000 0.457 198 T N -1.074 113.491 114.554 0.018 0.000 2.881 198 T HA -0.168 4.182 4.350 0.000 0.000 0.270 198 T C 1.489 176.286 174.700 0.162 0.000 1.068 198 T CA 1.367 63.528 62.100 0.102 0.000 1.131 198 T CB -0.310 68.659 68.868 0.168 0.000 0.871 198 T HN 0.467 nan 8.240 nan 0.000 0.479 199 F N -0.905 118.987 119.950 -0.097 0.000 3.031 199 F HA 0.529 5.056 4.527 0.000 0.000 0.365 199 F C -0.116 175.576 175.800 -0.180 0.000 1.128 199 F CA -1.202 56.731 58.000 -0.112 0.000 1.068 199 F CB 0.340 39.292 39.000 -0.080 0.000 1.280 199 F HN 0.015 nan 8.300 nan 0.000 0.529 200 Q N 3.850 123.162 119.800 -0.813 0.000 2.342 200 Q HA 0.470 4.810 4.340 0.000 0.000 0.267 200 Q C -2.665 172.816 176.000 -0.865 0.000 1.038 200 Q CA -2.345 52.971 55.803 -0.812 0.000 0.832 200 Q CB 2.519 30.680 28.738 -0.960 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 -0.971 176.139 177.300 -0.316 0.000 1.256 201 P CA -0.232 62.534 63.100 -0.557 0.000 0.795 201 P CB 0.856 32.275 31.700 -0.468 0.000 1.038 202 E N 1.352 121.426 120.200 -0.210 0.000 2.174 202 E HA 0.176 4.526 4.350 0.000 0.000 0.282 202 E C -1.718 174.871 176.600 -0.017 0.000 0.992 202 E CA -1.791 54.575 56.400 -0.058 0.000 0.803 202 E CB 0.588 30.298 29.700 0.016 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 0.857 178.182 177.300 0.041 0.000 1.148 203 P CA 1.504 64.619 63.100 0.025 0.000 0.834 203 P CB 0.164 31.881 31.700 0.028 0.000 0.783 204 Q N -1.012 118.814 119.800 0.043 0.000 2.224 204 Q HA -0.016 4.324 4.340 0.000 0.000 0.203 204 Q C 0.722 176.757 176.000 0.059 0.000 0.970 204 Q CA 0.674 56.508 55.803 0.051 0.000 0.865 204 Q CB -0.527 28.241 28.738 0.050 0.000 0.922 204 Q HN 0.287 nan 8.270 nan 0.000 0.445 205 I N 0.822 121.434 120.570 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 -0.565 60.797 61.300 0.104 0.000 1.260 205 I CB 1.616 39.700 38.000 0.141 0.000 1.389 205 I HN 0.124 nan 8.210 nan 0.000 0.484 206 G N 3.932 112.788 108.800 0.094 0.000 2.663 206 G HA2 0.338 4.298 3.960 0.000 0.000 0.299 206 G HA3 0.338 4.298 3.960 0.000 0.000 0.299 206 G C -1.345 173.559 174.900 0.007 0.000 1.372 206 G CA -0.652 44.482 45.100 0.056 0.000 0.781 206 G HN 0.507 nan 8.290 nan 0.000 0.491 207 E N 0.010 120.191 120.200 -0.031 0.000 2.415 207 E HA 0.173 4.522 4.350 0.000 0.000 0.262 207 E C 0.664 177.228 176.600 -0.059 0.000 1.038 207 E CA 0.131 56.489 56.400 -0.070 0.000 0.921 207 E CB 1.293 30.937 29.700 -0.094 0.000 0.950 207 E HN 0.289 nan 8.360 nan 0.000 0.438 208 S N 1.721 117.374 115.700 -0.078 0.000 2.406 208 S HA -0.092 4.378 4.470 0.000 0.000 0.224 208 S C 0.357 174.899 174.600 -0.096 0.000 1.030 208 S CA 0.497 58.660 58.200 -0.061 0.000 0.958 208 S CB 0.152 63.323 63.200 -0.049 0.000 0.811 208 S HN 0.418 nan 8.310 nan 0.000 0.489 209 Q N 1.376 121.040 119.800 -0.226 0.000 2.317 209 Q HA 0.174 4.514 4.340 0.000 0.000 0.229 209 Q C 0.963 176.741 176.000 -0.371 0.000 0.984 209 Q CA -0.486 55.071 55.803 -0.411 0.000 0.911 209 Q CB 0.028 28.224 28.738 -0.905 0.000 1.217 209 Q HN 0.565 nan 8.270 nan 0.000 0.501 210 W N 0.333 121.440 121.300 -0.321 0.000 2.576 210 W HA 0.064 4.724 4.660 0.000 0.000 0.270 210 W C -0.277 176.176 176.519 -0.109 0.000 1.255 210 W CA -0.326 56.928 57.345 -0.152 0.000 1.314 210 W CB -0.562 28.875 29.460 -0.038 0.000 1.101 210 W HN 0.635 nan 8.180 nan 0.000 0.595 211 Y N 1.563 121.370 120.300 -0.822 0.000 2.304 211 Y HA 0.507 5.057 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 -2.176 55.523 58.100 -0.668 0.000 1.299 211 Y CB 0.030 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 1.495 121.729 120.200 0.055 0.000 2.351 212 E HA 0.026 4.376 4.350 0.000 0.000 0.266 212 E C -0.002 176.650 176.600 0.087 0.000 1.031 212 E CA 0.170 56.593 56.400 0.039 0.000 0.911 212 E CB 0.797 30.517 29.700 0.034 0.000 0.986 212 E HN 0.836 nan 8.360 nan 0.000 0.446 213 T N 3.187 117.773 114.554 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 -0.027 62.111 62.100 0.063 0.000 0.964 213 T CB 0.015 68.917 68.868 0.057 0.000 1.005 213 T HN 0.607 nan 8.240 nan 0.000 0.532 214 E N 1.151 121.351 120.200 0.001 0.000 5.234 214 E HA -0.123 4.227 4.350 0.000 0.000 0.170 214 E C -0.879 175.714 176.600 -0.012 0.000 1.556 214 E CA -0.053 56.343 56.400 -0.008 0.000 1.185 214 E CB -1.091 28.604 29.700 -0.008 0.000 1.023 214 E HN 0.519 nan 8.360 nan 0.000 0.337 215 I N 3.026 123.585 120.570 -0.018 0.000 2.416 215 I HA 0.050 4.220 4.170 0.000 0.000 0.288 215 I C 1.536 177.638 176.117 -0.025 0.000 1.051 215 I CA -0.269 61.021 61.300 -0.017 0.000 1.375 215 I CB 0.596 38.580 38.000 -0.027 0.000 1.407 215 I HN 0.415 nan 8.210 nan 0.000 0.516 216 N N 3.503 122.191 118.700 -0.020 0.000 2.402 216 N HA 0.009 4.749 4.740 0.000 0.000 0.174 216 N C -0.131 175.161 175.510 -0.363 0.000 1.027 216 N CA 0.766 53.722 53.050 -0.157 0.000 0.891 216 N CB 0.248 38.653 38.487 -0.137 0.000 1.016 216 N HN 0.566 nan 8.380 nan 0.000 0.439 217 H N -0.086 118.996 119.070 0.021 0.000 2.736 217 H HA 0.586 5.142 4.556 0.000 0.000 0.271 217 H C -0.577 174.781 175.328 0.051 0.000 1.184 217 H CA -0.524 55.555 56.048 0.052 0.000 1.378 217 H CB 1.062 30.857 29.762 0.055 0.000 1.428 217 H HN 0.076 nan 8.280 nan 0.000 0.500 218 A N 2.133 125.028 122.820 0.126 0.000 2.311 218 A HA 0.937 5.257 4.320 0.000 0.000 0.334 218 A C -0.422 177.270 177.584 0.180 0.000 1.139 218 A CA -0.223 51.885 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 -0.247 122.702 122.820 0.216 0.000 2.527 219 A HA 0.992 5.312 4.320 0.000 0.000 0.293 219 A C -0.089 177.605 177.584 0.185 0.000 1.117 219 A CA -0.117 52.066 52.037 0.243 0.000 0.723 219 A CB 1.633 20.815 19.000 0.302 0.000 1.313 219 A HN 2.430 nan 8.150 nan 0.000 0.411 220 G N -0.249 108.655 108.800 0.173 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 -1.683 173.291 174.900 0.125 0.000 1.397 220 G CA -0.889 44.274 45.100 0.104 0.000 0.790 220 G HN 0.740 nan 8.290 nan 0.000 0.486 221 R N -1.086 119.457 120.500 0.072 0.000 2.711 221 R HA 0.807 5.147 4.340 0.000 0.000 0.284 221 R C -1.157 175.185 176.300 0.069 0.000 0.968 221 R CA -0.849 55.303 56.100 0.085 0.000 0.924 221 R CB 2.516 32.840 30.300 0.040 0.000 1.162 221 R HN 0.509 nan 8.270 nan 0.000 0.465 222 V N 3.203 123.166 119.914 0.081 0.000 3.159 222 V HA 0.505 4.625 4.120 0.000 0.000 0.308 222 V C -1.443 174.695 176.094 0.074 0.000 1.190 222 V CA -0.979 61.364 62.300 0.071 0.000 1.037 222 V CB 2.550 34.413 31.823 0.067 0.000 1.060 222 V HN 0.566 nan 8.190 nan 0.000 0.437 223 L N 4.120 125.392 121.223 0.082 0.000 2.282 223 L HA 0.536 4.876 4.340 0.000 0.000 0.288 223 L C 0.296 177.218 176.870 0.087 0.000 1.033 223 L CA -0.592 54.294 54.840 0.076 0.000 0.807 223 L CB 1.398 43.503 42.059 0.076 0.000 1.209 223 L HN 0.603 nan 8.230 nan 0.000 0.423 224 K N 1.973 122.414 120.400 0.069 0.000 2.336 224 K HA -0.020 4.300 4.320 0.000 0.000 0.262 224 K C 1.031 177.681 176.600 0.085 0.000 0.992 224 K CA -0.107 56.221 56.287 0.067 0.000 0.927 224 K CB 0.670 33.199 32.500 0.047 0.000 0.956 224 K HN 0.545 nan 8.250 nan 0.000 0.495 225 K N -0.241 120.213 120.400 0.090 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 0.089 0.000 1.044 225 K CA 1.675 58.031 56.287 0.115 0.000 0.948 225 K CB -0.223 32.346 32.500 0.114 0.000 0.762 225 K HN 0.619 nan 8.250 nan 0.000 0.472 226 T N -1.879 112.713 114.554 0.064 0.000 3.085 226 T HA -0.009 4.341 4.350 0.000 0.000 0.263 226 T C 0.666 175.392 174.700 0.044 0.000 1.127 226 T CA 0.194 62.324 62.100 0.049 0.000 1.103 226 T CB -0.123 68.766 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 0.050 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 1.363 70.253 68.868 0.037 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 -0.313 177.009 177.300 0.036 0.000 1.195 228 P CA -0.266 62.855 63.100 0.034 0.000 0.768 228 P CB 0.614 32.327 31.700 0.022 0.000 0.838 229 M N 3.147 122.766 119.600 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 0.631 55.948 55.300 0.027 0.000 1.137 229 M CB 0.275 32.874 32.600 -0.001 0.000 1.576 229 M HN 0.194 nan 8.290 nan 0.000 0.461 230 K N 4.500 124.917 120.400 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 1.696 34.219 32.500 0.039 0.000 1.359 230 K HN 0.298 nan 8.250 nan 0.000 0.434 231 P HA 0.028 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 -0.156 62.998 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 3.331 122.713 119.300 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 0.443 59.545 59.018 0.141 0.000 1.735 232 C CB -1.579 26.246 27.740 0.141 0.000 2.031 232 C HN 0.524 nan 8.230 nan 0.000 0.474 233 Y N 1.208 121.551 120.300 0.073 0.000 2.745 233 Y HA 0.368 4.918 4.550 0.000 0.000 0.335 233 Y C 1.219 177.179 175.900 0.100 0.000 1.212 233 Y CA 1.293 59.441 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 0.659 nan 8.280 nan 0.000 0.531 234 G N 3.018 111.691 108.800 -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 0.083 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 0.069 58.295 58.200 0.042 0.000 1.058 235 S CB 1.000 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 1.410 121.541 120.300 -0.282 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 -0.993 56.828 58.100 -0.464 0.000 1.022 236 Y CB 1.403 39.261 38.460 -1.003 0.000 1.292 236 Y HN 0.668 nan 8.280 nan 0.000 0.459 237 A N 5.689 127.804 122.820 -1.174 0.000 2.485 237 A HA 0.478 4.798 4.320 0.000 0.000 0.285 237 A C -1.459 175.550 177.584 -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 19.457 19.000 -0.367 0.000 1.307 237 A HN 0.803 nan 8.150 nan 0.000 0.406 238 K N 3.312 123.250 120.400 -0.770 0.000 2.485 238 K HA 0.358 4.678 4.320 0.000 0.000 0.277 238 K C -2.360 174.126 176.600 -0.191 0.000 0.990 238 K CA -0.637 55.441 56.287 -0.349 0.000 0.994 238 K CB 0.324 32.774 32.500 -0.084 0.000 0.906 238 K HN 0.355 nan 8.250 nan 0.000 0.488 239 P HA 0.014 nan 4.420 nan 0.000 0.278 239 P C -0.115 177.164 177.300 -0.035 0.000 1.238 239 P CA -0.414 62.653 63.100 -0.056 0.000 0.794 239 P CB 1.315 33.000 31.700 -0.025 0.000 0.955 240 T N -1.755 112.782 114.554 -0.028 0.000 3.092 240 T HA 0.196 4.546 4.350 0.000 0.000 0.258 240 T C 0.227 174.919 174.700 -0.013 0.000 1.031 240 T CA -0.312 61.778 62.100 -0.016 0.000 0.925 240 T CB -0.752 68.109 68.868 -0.011 0.000 1.036 240 T HN 0.595 nan 8.240 nan 0.000 0.544 241 N N -0.693 117.993 118.700 -0.024 0.000 2.484 241 N HA 0.234 4.974 4.740 0.000 0.000 0.269 241 N C 0.170 175.634 175.510 -0.078 0.000 1.237 241 N CA -0.993 52.033 53.050 -0.041 0.000 0.838 241 N CB 1.272 39.741 38.487 -0.029 0.000 1.593 241 N HN -0.007 nan 8.380 nan 0.000 0.485 242 E N -0.166 119.977 120.200 -0.096 0.000 2.396 242 E HA -0.172 4.178 4.350 0.000 0.000 0.200 242 E C -0.054 176.434 176.600 -0.187 0.000 1.023 242 E CA 0.959 57.291 56.400 -0.114 0.000 0.857 242 E CB -0.098 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 -0.609 117.913 118.700 -0.296 0.000 2.322 243 N HA 0.039 4.779 4.740 0.000 0.000 0.194 243 N C 0.853 176.208 175.510 -0.258 0.000 1.126 243 N CA 0.831 53.582 53.050 -0.499 0.000 0.845 243 N CB 1.255 38.938 38.487 -1.340 0.000 0.976 243 N HN 0.320 nan 8.380 nan 0.000 0.475 244 G N -0.029 108.700 108.800 -0.118 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 0.503 175.407 174.900 0.007 0.000 0.982 244 G CA -0.078 45.002 45.100 -0.034 0.000 0.641 244 G HN 0.557 nan 8.290 nan 0.000 0.527 245 G N -0.071 108.748 108.800 0.033 0.000 2.544 245 G HA2 0.528 4.488 3.960 0.000 0.000 0.242 245 G HA3 0.528 4.488 3.960 0.000 0.000 0.242 245 G C 0.602 175.505 174.900 0.005 0.000 1.247 245 G CA 0.521 45.656 45.100 0.057 0.000 0.840 245 G HN 1.157 nan 8.290 nan 0.000 0.578 246 Q N 1.394 121.190 119.800 -0.008 0.000 2.233 246 Q HA 0.312 4.652 4.340 0.000 0.000 0.340 246 Q C 1.199 177.183 176.000 -0.026 0.000 0.899 246 Q CA -0.061 55.716 55.803 -0.042 0.000 1.139 246 Q CB 0.699 29.384 28.738 -0.088 0.000 1.273 246 Q HN 0.560 nan 8.270 nan 0.000 0.431 247 G N 1.055 109.854 108.800 -0.001 0.000 2.418 247 G HA2 0.007 3.967 3.960 0.000 0.000 0.217 247 G HA3 0.007 3.967 3.960 0.000 0.000 0.217 247 G C 0.939 175.840 174.900 0.002 0.000 1.158 247 G CA 1.522 46.627 45.100 0.008 0.000 0.771 247 G HN 0.513 nan 8.290 nan 0.000 0.545 248 I N -3.644 116.924 120.570 -0.003 0.000 1.251 248 I HA -0.008 4.162 4.170 0.000 0.000 0.295 248 I C -0.618 175.497 176.117 -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 1.126 122.351 121.223 0.003 0.000 3.065 249 L HA 0.006 4.346 4.340 0.000 0.000 0.429 249 L C -0.890 175.983 176.870 0.004 0.000 0.956 249 L CA -0.403 54.440 54.840 0.004 0.000 1.409 249 L CB -0.921 41.139 42.059 0.001 0.000 1.708 249 L HN 0.170 nan 8.230 nan 0.000 0.428 250 V N 0.927 120.845 119.914 0.005 0.000 2.668 250 V HA 0.811 4.931 4.120 0.000 0.000 0.304 250 V C -0.043 176.054 176.094 0.006 0.000 1.071 250 V CA 0.090 62.393 62.300 0.005 0.000 0.894 250 V CB 1.809 33.635 31.823 0.005 0.000 1.008 250 V HN 0.394 nan 8.190 nan 0.000 0.425 251 K N 3.579 123.982 120.400 0.005 0.000 2.972 251 K HA -0.196 4.124 4.320 0.000 0.000 0.853 251 K C 0.688 177.292 176.600 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 31.781 32.500 0.005 0.000 2.605 251 K HN 0.939 nan 8.250 nan 0.000 0.218 252 Q N 0.937 120.741 119.800 0.006 0.000 2.331 252 Q HA 0.067 4.407 4.340 0.000 0.000 0.203 252 Q C 0.234 176.236 176.000 0.003 0.000 0.944 252 Q CA 0.902 56.708 55.803 0.004 0.000 0.892 252 Q CB 0.477 29.217 28.738 0.004 0.000 0.983 252 Q HN 0.395 nan 8.270 nan 0.000 0.482 253 Q N -1.229 118.573 119.800 0.003 0.000 2.756 253 Q HA 0.190 4.530 4.340 0.000 0.000 0.295 253 Q C -0.869 175.132 176.000 0.003 0.000 0.903 253 Q CA -0.718 55.087 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 0.052 nan 8.270 nan 0.000 0.416 254 N N -0.324 118.377 118.700 0.002 0.000 1.366 254 N HA -0.262 4.478 4.740 0.000 0.000 0.141 254 N C 0.238 175.749 175.510 0.003 0.000 0.460 254 N CA 2.048 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 1.515 110.317 108.800 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 -0.104 174.799 174.900 0.005 0.000 1.209 255 G CA 0.141 45.243 45.100 0.004 0.000 0.835 255 G HN 0.736 nan 8.290 nan 0.000 0.534 256 K N 2.409 122.812 120.400 0.005 0.000 2.568 256 K HA 0.301 4.621 4.320 0.000 0.000 0.273 256 K C -0.571 176.033 176.600 0.006 0.000 0.951 256 K CA -0.818 55.473 56.287 0.006 0.000 0.854 256 K CB 0.873 33.377 32.500 0.006 0.000 1.424 256 K HN 0.336 nan 8.250 nan 0.000 0.427 257 L N 0.898 122.125 121.223 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 0.010 0.000 1.058 257 L CB -0.265 41.802 42.059 0.013 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 0.014 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 0.016 0.000 1.434 258 E CA 0.281 56.692 56.400 0.018 0.000 1.137 258 E CB 0.363 30.077 29.700 0.023 0.000 0.992 258 E HN 0.572 nan 8.360 nan 0.000 0.607 259 S N -0.712 114.999 115.700 0.019 0.000 2.836 259 S HA 0.182 4.652 4.470 0.000 0.000 0.164 259 S C 0.423 175.033 174.600 0.017 0.000 0.714 259 S CA -0.457 57.753 58.200 0.016 0.000 0.906 259 S CB 0.404 63.614 63.200 0.017 0.000 0.702 259 S HN 0.471 nan 8.310 nan 0.000 0.571 260 Q N -0.963 118.850 119.800 0.022 0.000 2.397 260 Q HA 0.570 4.910 4.340 0.000 0.000 0.384 260 Q C -1.551 174.466 176.000 0.030 0.000 0.574 260 Q CA -0.361 55.454 55.803 0.020 0.000 1.025 260 Q CB 0.908 29.654 28.738 0.013 0.000 0.985 260 Q HN 0.645 nan 8.270 nan 0.000 0.456 261 V N 0.181 120.109 119.914 0.024 0.000 2.115 261 V HA -0.023 4.098 4.120 0.000 0.000 0.344 261 V C -1.842 174.251 176.094 -0.001 0.000 1.564 261 V CA -0.619 61.700 62.300 0.032 0.000 0.889 261 V CB 0.659 32.526 31.823 0.073 0.000 1.226 261 V HN 0.743 nan 8.190 nan 0.000 0.228 262 E N 1.914 122.096 120.200 -0.030 0.000 2.311 262 E HA 0.589 4.939 4.350 0.000 0.000 0.281 262 E C -1.141 175.336 176.600 -0.206 0.000 0.905 262 E CA -0.779 55.566 56.400 -0.093 0.000 0.778 262 E CB 2.084 31.747 29.700 -0.062 0.000 1.240 262 E HN 0.646 nan 8.360 nan 0.000 0.410 263 M N 2.378 121.766 119.600 -0.353 0.000 2.211 263 M HA 0.231 4.711 4.480 0.000 0.000 0.356 263 M C -0.316 175.633 176.300 -0.585 0.000 1.216 263 M CA 0.197 55.101 55.300 -0.661 0.000 1.134 263 M CB 0.743 32.786 32.600 -0.928 0.000 1.564 263 M HN 0.271 nan 8.290 nan 0.000 0.463 264 Q N 3.307 122.748 119.800 -0.599 0.000 2.401 264 Q HA 0.424 4.764 4.340 0.000 0.000 0.260 264 Q C -1.440 173.966 176.000 -0.990 0.000 1.034 264 Q CA -0.347 55.088 55.803 -0.615 0.000 0.737 264 Q CB 1.135 29.705 28.738 -0.280 0.000 1.227 264 Q HN 0.498 nan 8.270 nan 0.000 0.488 265 F N 2.012 121.551 119.950 -0.684 0.000 2.429 265 F HA 0.392 4.919 4.527 0.000 0.000 0.348 265 F C 0.065 175.348 175.800 -0.861 0.000 1.109 265 F CA 0.047 57.729 58.000 -0.530 0.000 1.232 265 F CB 0.432 39.265 39.000 -0.278 0.000 1.157 265 F HN 0.345 nan 8.300 nan 0.000 0.564 266 F N 0.139 120.166 119.950 0.127 0.000 2.599 266 F HA 0.541 5.068 4.527 0.000 0.000 0.311 266 F C 0.064 175.892 175.800 0.047 0.000 1.076 266 F CA -0.910 57.123 58.000 0.056 0.000 0.937 266 F CB 1.912 40.918 39.000 0.011 0.000 1.282 266 F HN 0.469 nan 8.300 nan 0.000 0.460 267 S N -0.543 115.279 115.700 0.203 0.000 2.753 267 S HA 0.606 5.076 4.470 0.000 0.000 0.302 267 S C 0.000 174.651 174.600 0.085 0.000 1.104 267 S CA -0.355 57.910 58.200 0.107 0.000 0.968 267 S CB 1.537 64.772 63.200 0.059 0.000 1.278 267 S HN 0.544 nan 8.310 nan 0.000 0.549 268 T N 0.785 115.366 114.554 0.045 0.000 3.132 268 T HA 0.336 4.686 4.350 0.000 0.000 0.274 268 T C -0.389 174.324 174.700 0.022 0.000 1.011 268 T CA 0.317 62.434 62.100 0.028 0.000 0.899 268 T CB -0.303 68.572 68.868 0.012 0.000 1.089 268 T HN 0.867 nan 8.240 nan 0.000 0.543 269 T N 2.625 117.194 114.554 0.025 0.000 4.385 269 T HA -0.147 4.203 4.350 0.000 0.000 0.330 269 T C -0.133 174.574 174.700 0.010 0.000 0.771 269 T CA 0.485 62.595 62.100 0.017 0.000 1.973 269 T CB -1.566 67.312 68.868 0.017 0.000 1.908 269 T HN 0.559 nan 8.240 nan 0.000 0.933 270 E N 1.473 121.678 120.200 0.008 0.000 2.129 270 E HA 0.510 4.860 4.350 0.000 0.000 0.283 270 E C 0.592 177.193 176.600 0.001 0.000 1.080 270 E CA 0.263 56.665 56.400 0.003 0.000 0.867 270 E CB 0.829 30.529 29.700 0.001 0.000 1.056 270 E HN 0.832 nan 8.360 nan 0.000 0.404 271 A N 2.757 125.577 122.820 0.001 0.000 2.434 271 A HA -0.158 4.162 4.320 0.000 0.000 0.686 271 A C 0.966 178.549 177.584 -0.002 0.000 0.138 271 A CA 0.576 52.613 52.037 -0.001 0.000 0.027 271 A CB -1.588 17.410 19.000 -0.003 0.000 3.972 271 A HN 0.856 nan 8.150 nan 0.000 0.548 272 T N 1.135 115.687 114.554 -0.002 0.000 2.814 272 T HA 0.635 4.985 4.350 0.000 0.000 0.254 272 T C 1.483 176.180 174.700 -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 68.648 68.868 -0.002 0.000 0.866 272 T HN 2.611 nan 8.240 nan 0.000 0.431 273 A N 1.370 124.186 122.820 -0.006 0.000 2.454 273 A HA 0.546 4.866 4.320 0.000 0.000 0.260 273 A C 0.865 178.444 177.584 -0.009 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 -0.006 0.000 1.044 273 A HN 0.676 nan 8.150 nan 0.000 0.498 274 G N 2.664 111.456 108.800 -0.012 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 0.253 175.144 174.900 -0.015 0.000 0.973 274 G CA -0.541 44.550 45.100 -0.015 0.000 1.257 274 G HN 0.781 nan 8.290 nan 0.000 0.456 275 N N 2.387 121.079 118.700 -0.013 0.000 2.518 275 N HA 0.057 4.797 4.740 0.000 0.000 0.230 275 N C 1.692 177.194 175.510 -0.013 0.000 1.022 275 N CA 0.692 53.735 53.050 -0.012 0.000 1.172 275 N CB 0.292 38.773 38.487 -0.010 0.000 1.498 275 N HN 0.396 nan 8.380 nan 0.000 0.602 276 G N 1.166 109.959 108.800 -0.011 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 -0.291 174.603 174.900 -0.010 0.000 1.051 276 G CA -0.164 44.929 45.100 -0.011 0.000 0.809 276 G HN 0.389 nan 8.290 nan 0.000 0.531 277 D N 0.870 121.264 120.400 -0.010 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 -0.464 53.531 54.000 -0.009 0.000 0.906 277 D CB 0.587 41.382 40.800 -0.008 0.000 1.187 277 D HN -0.014 nan 8.370 nan 0.000 0.435 278 N N 1.944 120.640 118.700 -0.008 0.000 2.558 278 N HA 0.060 4.800 4.740 0.000 0.000 0.233 278 N C 0.621 176.124 175.510 -0.011 0.000 1.038 278 N CA -0.465 52.580 53.050 -0.009 0.000 0.934 278 N CB 1.123 39.611 38.487 0.002 0.000 1.175 278 N HN 0.403 nan 8.380 nan 0.000 0.512 279 L N 1.080 122.290 121.223 -0.023 0.000 2.814 279 L HA -0.079 4.261 4.340 0.000 0.000 0.248 279 L C 0.691 177.548 176.870 -0.020 0.000 1.169 279 L CA 0.735 55.560 54.840 -0.025 0.000 0.872 279 L CB -1.645 40.389 42.059 -0.042 0.000 1.029 279 L HN 0.502 nan 8.230 nan 0.000 0.452 280 T N 0.013 114.561 114.554 -0.009 0.000 2.657 280 T HA -0.042 4.308 4.350 0.000 0.000 0.245 280 T C -1.880 172.833 174.700 0.022 0.000 1.021 280 T CA -1.037 61.071 62.100 0.013 0.000 1.155 280 T CB -0.390 68.500 68.868 0.037 0.000 1.022 280 T HN 0.199 nan 8.240 nan 0.000 0.477 281 P HA 0.258 nan 4.420 nan 0.000 0.272 281 P C 0.230 177.567 177.300 0.061 0.000 1.240 281 P CA -0.509 62.655 63.100 0.107 0.000 0.791 281 P CB 0.952 32.796 31.700 0.241 0.000 0.978 282 K N -0.597 119.845 120.400 0.071 0.000 2.425 282 K HA 0.294 4.614 4.320 0.000 0.000 0.201 282 K C -0.531 176.102 176.600 0.054 0.000 1.128 282 K CA 0.152 56.438 56.287 -0.001 0.000 1.000 282 K CB 0.826 33.322 32.500 -0.007 0.000 0.961 282 K HN 0.197 nan 8.250 nan 0.000 0.555 283 V N 1.485 121.484 119.914 0.142 0.000 2.789 283 V HA 0.183 4.303 4.120 0.000 0.000 0.300 283 V C -1.174 175.053 176.094 0.222 0.000 1.184 283 V CA -0.935 61.462 62.300 0.163 0.000 0.930 283 V CB 2.186 34.078 31.823 0.115 0.000 1.041 283 V HN -0.264 nan 8.190 nan 0.000 0.430 284 V N 6.180 126.194 119.914 0.166 0.000 2.347 284 V HA 0.497 4.617 4.120 0.000 0.000 0.280 284 V C -0.127 176.015 176.094 0.081 0.000 1.021 284 V CA -0.416 61.897 62.300 0.021 0.000 0.847 284 V CB 1.460 33.257 31.823 -0.044 0.000 0.990 284 V HN 0.624 nan 8.190 nan 0.000 0.444 285 L N 5.055 126.316 121.223 0.063 0.000 2.307 285 L HA 0.481 4.821 4.340 0.000 0.000 0.282 285 L C -0.867 175.978 176.870 -0.041 0.000 1.051 285 L CA -0.618 54.300 54.840 0.130 0.000 0.804 285 L CB 1.271 43.471 42.059 0.235 0.000 1.197 285 L HN 0.565 nan 8.230 nan 0.000 0.431 286 Y N 1.393 121.675 120.300 -0.029 0.000 2.888 286 Y HA 0.127 4.677 4.550 0.000 0.000 0.341 286 Y C 0.984 176.871 175.900 -0.021 0.000 1.241 286 Y CA -0.730 57.339 58.100 -0.052 0.000 1.440 286 Y CB 0.462 38.883 38.460 -0.065 0.000 1.517 286 Y HN 0.557 nan 8.280 nan 0.000 0.518 287 S N 1.439 117.175 115.700 0.060 0.000 2.573 287 S HA 0.374 4.844 4.470 0.000 0.000 0.277 287 S C -0.087 174.545 174.600 0.055 0.000 1.346 287 S CA -0.451 57.785 58.200 0.060 0.000 1.034 287 S CB 1.101 64.328 63.200 0.045 0.000 0.879 287 S HN 0.706 nan 8.310 nan 0.000 0.528 288 E N 0.260 120.491 120.200 0.052 0.000 2.422 288 E HA 0.326 4.676 4.350 0.000 0.000 0.280 288 E C -2.161 174.459 176.600 0.032 0.000 1.091 288 E CA -0.993 55.432 56.400 0.041 0.000 0.849 288 E CB 0.697 30.424 29.700 0.046 0.000 1.353 288 E HN 0.509 nan 8.360 nan 0.000 0.449 289 D N 1.140 121.553 120.400 0.022 0.000 2.217 289 D HA 0.454 5.094 4.640 0.000 0.000 0.243 289 D C -0.408 175.893 176.300 0.001 0.000 1.054 289 D CA -0.273 53.737 54.000 0.016 0.000 0.838 289 D CB 2.104 42.913 40.800 0.015 0.000 1.162 289 D HN 0.434 nan 8.370 nan 0.000 0.472 290 V N -0.719 119.189 119.914 -0.010 0.000 2.914 290 V HA 0.404 4.524 4.120 0.000 0.000 0.314 290 V C 0.104 176.169 176.094 -0.048 0.000 1.084 290 V CA -0.964 61.313 62.300 -0.039 0.000 0.963 290 V CB 2.398 34.186 31.823 -0.058 0.000 1.025 290 V HN 0.323 nan 8.190 nan 0.000 0.432 291 D N 2.859 123.216 120.400 -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 -0.093 0.000 1.102 291 D CA 0.130 54.091 54.000 -0.065 0.000 1.044 291 D CB 0.109 40.872 40.800 -0.062 0.000 1.113 291 D HN 0.700 nan 8.370 nan 0.000 0.480 292 I N 2.412 122.942 120.570 -0.068 0.000 2.618 292 I HA 0.003 4.173 4.170 0.000 0.000 0.284 292 I C 0.222 176.323 176.117 -0.027 0.000 1.146 292 I CA 0.222 61.481 61.300 -0.068 0.000 1.425 292 I CB 0.283 38.263 38.000 -0.033 0.000 1.383 292 I HN 0.269 nan 8.210 nan 0.000 0.562 293 E N 3.866 124.058 120.200 -0.013 0.000 2.408 293 E HA 0.463 4.813 4.350 0.000 0.000 0.275 293 E C -1.304 175.330 176.600 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 -1.000 113.592 114.554 0.064 0.000 3.327 294 T HA 0.314 4.664 4.350 0.000 0.000 0.373 294 T C -1.791 172.963 174.700 0.090 0.000 1.589 294 T CA -1.421 60.726 62.100 0.078 0.000 1.497 294 T CB 0.816 69.732 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 0.318 177.665 177.300 0.079 0.000 1.151 295 P CA 1.138 64.287 63.100 0.083 0.000 0.787 295 P CB 0.167 31.908 31.700 0.070 0.000 0.788 296 D N -1.332 119.137 120.400 0.117 0.000 2.563 296 D HA 0.070 4.710 4.640 0.000 0.000 0.237 296 D C 0.205 176.560 176.300 0.092 0.000 1.282 296 D CA -0.245 53.793 54.000 0.064 0.000 0.816 296 D CB -0.319 40.514 40.800 0.056 0.000 1.066 296 D HN 0.142 nan 8.370 nan 0.000 0.501 297 T N -2.671 111.962 114.554 0.132 0.000 2.865 297 T HA 0.625 4.975 4.350 0.000 0.000 0.294 297 T C -0.588 174.245 174.700 0.223 0.000 1.119 297 T CA -0.863 61.343 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 -0.476 118.625 119.070 0.051 0.000 2.977 298 H HA 0.543 5.099 4.556 0.000 0.000 0.350 298 H C -1.156 174.189 175.328 0.028 0.000 1.238 298 H CA -1.438 54.623 56.048 0.022 0.000 1.124 298 H CB 0.754 30.504 29.762 -0.019 0.000 1.866 298 H HN 0.522 nan 8.280 nan 0.000 0.550 299 I N 2.624 123.200 120.570 0.010 0.000 2.452 299 I HA -0.045 4.125 4.170 0.000 0.000 0.287 299 I C 1.512 177.573 176.117 -0.093 0.000 1.079 299 I CA 0.220 61.489 61.300 -0.052 0.000 1.387 299 I CB 0.983 38.972 38.000 -0.019 0.000 1.404 299 I HN 0.761 nan 8.210 nan 0.000 0.522 300 S N 5.868 121.496 115.700 -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 0.078 58.231 58.200 -0.079 0.000 0.909 300 S CB -0.035 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 1.284 121.539 120.300 -0.075 0.000 2.294 301 Y HA 0.557 5.107 4.550 0.000 0.000 0.329 301 Y C -1.309 174.562 175.900 -0.047 0.000 1.135 301 Y CA -1.350 56.717 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 9.039 128.319 119.600 -0.533 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 52.379 55.300 -0.492 0.000 1.059 302 M CB 1.123 33.578 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 -0.141 177.008 177.300 -0.252 0.000 1.162 303 P CA 1.153 63.957 63.100 -0.493 0.000 0.874 303 P CB 0.358 31.890 31.700 -0.280 0.000 0.784 304 T N -1.085 113.350 114.554 -0.199 0.000 2.907 304 T HA 0.342 4.692 4.350 0.000 0.000 0.292 304 T C 0.821 175.455 174.700 -0.110 0.000 1.043 304 T CA -0.531 61.492 62.100 -0.128 0.000 1.003 304 T CB 1.751 70.558 68.868 -0.102 0.000 1.084 304 T HN -0.118 nan 8.240 nan 0.000 0.483 305 I N 0.778 121.301 120.570 -0.079 0.000 2.716 305 I HA 0.128 4.298 4.170 0.000 0.000 0.259 305 I C 0.650 176.738 176.117 -0.048 0.000 1.172 305 I CA 0.509 61.773 61.300 -0.061 0.000 1.478 305 I CB 0.103 38.077 38.000 -0.044 0.000 1.104 305 I HN 0.501 nan 8.210 nan 0.000 0.439 306 K N 2.889 123.262 120.400 -0.046 0.000 2.511 306 K HA -0.041 4.279 4.320 0.000 0.000 0.280 306 K C -0.022 176.558 176.600 -0.034 0.000 1.008 306 K CA 0.346 56.612 56.287 -0.034 0.000 1.050 306 K CB 0.262 32.742 32.500 -0.032 0.000 0.889 306 K HN 0.312 nan 8.250 nan 0.000 0.484 307 E N 0.675 120.863 120.200 -0.020 0.000 2.371 307 E HA 0.308 4.658 4.350 0.000 0.000 0.257 307 E C 0.256 176.852 176.600 -0.006 0.000 1.134 307 E CA -0.129 56.263 56.400 -0.014 0.000 0.919 307 E CB 0.824 30.520 29.700 -0.005 0.000 1.025 307 E HN 0.711 nan 8.360 nan 0.000 0.438 308 G N 1.483 110.283 108.800 0.000 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 -0.815 174.092 174.900 0.011 0.000 1.201 308 G CA -1.007 44.103 45.100 0.017 0.000 0.768 308 G HN 0.451 nan 8.290 nan 0.000 0.629 309 N N 0.522 119.248 118.700 0.042 0.000 2.497 309 N HA 0.573 5.313 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 0.714 53.787 53.050 0.039 0.000 0.948 309 N CB 1.446 40.003 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 -0.151 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 -0.972 57.043 58.200 -0.309 0.000 0.826 310 S CB 2.391 65.498 63.200 -0.156 0.000 1.139 310 S HN 0.590 nan 8.310 nan 0.000 0.474 311 R N 0.466 120.331 120.500 -1.057 0.000 2.105 311 R HA -0.103 4.237 4.340 0.000 0.000 0.239 311 R C 1.423 177.362 176.300 -0.601 0.000 1.135 311 R CA 1.779 57.220 56.100 -1.100 0.000 0.967 311 R CB -0.362 29.619 30.300 -0.531 0.000 0.861 311 R HN 0.731 nan 8.270 nan 0.000 0.442 312 E N 0.931 120.902 120.200 -0.382 0.000 2.070 312 E HA -0.233 4.117 4.350 0.000 0.000 0.197 312 E C 2.009 178.463 176.600 -0.244 0.000 1.004 312 E CA 1.160 57.411 56.400 -0.248 0.000 0.805 312 E CB -0.338 29.258 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 -0.083 4.257 4.340 0.000 0.000 0.224 313 L C 2.392 179.135 176.870 -0.211 0.000 1.149 313 L CA 0.419 55.131 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 0.145 nan 8.230 nan 0.000 0.449 314 M N -1.021 118.398 119.600 -0.302 0.000 2.557 314 M HA -0.050 4.430 4.480 0.000 0.000 0.259 314 M C 1.705 177.900 176.300 -0.175 0.000 1.086 314 M CA 1.067 56.199 55.300 -0.280 0.000 1.096 314 M CB -0.280 32.047 32.600 -0.456 0.000 1.424 314 M HN 0.284 nan 8.290 nan 0.000 0.488 315 G N 0.345 109.071 108.800 -0.124 0.000 3.189 315 G HA2 0.048 4.008 3.960 0.000 0.000 0.225 315 G HA3 0.048 4.008 3.960 0.000 0.000 0.225 315 G C 0.328 175.289 174.900 0.102 0.000 1.159 315 G CA -0.398 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 0.039 119.851 119.800 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 -0.177 55.649 55.803 0.039 0.000 0.882 316 Q CB 0.940 29.641 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 0.102 0.000 2.345 317 Q HA 0.501 4.841 4.340 0.000 0.000 0.268 317 Q C -1.236 174.762 176.000 -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 1.662 117.352 115.700 -0.016 0.000 2.537 318 S HA 0.779 5.249 4.470 0.000 0.000 0.301 318 S C -1.090 173.468 174.600 -0.070 0.000 1.092 318 S CA -0.627 57.579 58.200 0.009 0.000 1.048 318 S CB 0.853 64.173 63.200 0.199 0.000 1.053 318 S HN 0.635 nan 8.310 nan 0.000 0.501 319 M N 5.021 124.545 119.600 -0.127 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 53.077 55.300 -0.144 0.000 0.905 319 M CB 2.519 34.916 32.600 -0.337 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 -1.217 176.193 177.300 0.184 0.000 1.216 320 P CA -0.067 63.153 63.100 0.200 0.000 0.776 320 P CB 0.332 32.154 31.700 0.204 0.000 0.881 321 N N 2.643 121.441 118.700 0.165 0.000 2.453 321 N HA 0.078 4.818 4.740 0.000 0.000 0.253 321 N C 0.624 176.107 175.510 -0.045 0.000 1.252 321 N CA 0.033 53.139 53.050 0.092 0.000 0.917 321 N CB 0.175 38.706 38.487 0.073 0.000 1.117 321 N HN 0.295 nan 8.380 nan 0.000 0.442 322 R N 1.826 122.246 120.500 -0.133 0.000 2.570 322 R HA 0.111 4.451 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 -0.899 55.076 56.100 -0.208 0.000 1.065 322 R CB -0.076 30.029 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 62.767 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 1.756 120.201 118.700 -0.425 0.000 2.629 324 N HA 0.212 4.952 4.740 0.000 0.000 0.277 324 N C -1.766 173.578 175.510 -0.275 0.000 1.188 324 N CA -0.410 52.505 53.050 -0.225 0.000 0.835 324 N CB 0.164 38.578 38.487 -0.122 0.000 1.420 324 N HN 0.143 nan 8.380 nan 0.000 0.542 325 Y N 2.752 123.083 120.300 0.053 0.000 2.319 325 Y HA 0.480 5.030 4.550 0.000 0.000 0.328 325 Y C 0.579 176.586 175.900 0.177 0.000 1.133 325 Y CA -0.105 58.090 58.100 0.159 0.000 1.265 325 Y CB 0.913 39.456 38.460 0.139 0.000 1.218 325 Y HN 0.308 nan 8.280 nan 0.000 0.508 326 I N 2.925 123.735 120.570 0.400 0.000 2.533 326 I HA 0.774 4.944 4.170 0.000 0.000 0.290 326 I C -0.455 175.619 176.117 -0.071 0.000 1.056 326 I CA -0.692 60.656 61.300 0.080 0.000 1.057 326 I CB 1.748 39.721 38.000 -0.044 0.000 1.240 326 I HN 0.720 nan 8.210 nan 0.000 0.423 327 A N 4.711 127.462 122.820 -0.115 0.000 2.536 327 A HA 0.742 5.062 4.320 0.000 0.000 0.293 327 A C -1.536 175.941 177.584 -0.179 0.000 1.119 327 A CA -0.552 51.379 52.037 -0.177 0.000 0.654 327 A CB 0.778 19.758 19.000 -0.033 0.000 1.291 327 A HN 0.395 nan 8.150 nan 0.000 0.439 328 F N 1.291 121.220 119.950 -0.035 0.000 2.444 328 F HA 0.474 5.001 4.527 0.000 0.000 0.331 328 F C 1.547 177.327 175.800 -0.033 0.000 1.167 328 F CA 0.482 58.491 58.000 0.015 0.000 1.262 328 F CB 0.666 39.758 39.000 0.153 0.000 1.196 328 F HN 0.532 nan 8.300 nan 0.000 0.583 329 R N 0.326 120.957 120.500 0.218 0.000 2.649 329 R HA 0.104 4.444 4.340 0.000 0.000 0.270 329 R C -0.698 175.579 176.300 -0.037 0.000 1.105 329 R CA -0.830 55.319 56.100 0.082 0.000 1.193 329 R CB 0.178 30.544 30.300 0.111 0.000 1.120 329 R HN 0.507 nan 8.270 nan 0.000 0.561 330 D N 0.791 121.170 120.400 -0.035 0.000 2.487 330 D HA -0.082 4.558 4.640 0.000 0.000 0.243 330 D C -0.316 175.949 176.300 -0.058 0.000 1.154 330 D CA 0.913 54.872 54.000 -0.067 0.000 0.876 330 D CB -0.025 40.763 40.800 -0.020 0.000 1.161 330 D HN 0.598 nan 8.370 nan 0.000 0.478 331 N N 2.765 121.389 118.700 -0.126 0.000 2.714 331 N HA -0.285 4.455 4.740 0.000 0.000 0.250 331 N C -0.230 175.300 175.510 0.032 0.000 1.117 331 N CA 0.477 53.507 53.050 -0.034 0.000 0.719 331 N CB -1.532 37.032 38.487 0.127 0.000 1.081 331 N HN 0.542 nan 8.380 nan 0.000 0.557 332 F N -1.929 118.063 119.950 0.070 0.000 3.091 332 F HA -0.271 4.256 4.527 0.000 0.000 0.288 332 F C 0.527 176.373 175.800 0.076 0.000 0.907 332 F CA 0.078 58.109 58.000 0.052 0.000 1.028 332 F CB -1.455 37.545 39.000 -0.000 0.000 1.022 332 F HN 0.197 nan 8.300 nan 0.000 0.665 333 I N 0.828 121.514 120.570 0.194 0.000 2.775 333 I HA 0.106 4.276 4.170 0.000 0.000 0.290 333 I C 1.558 177.786 176.117 0.185 0.000 1.203 333 I CA 1.583 62.985 61.300 0.170 0.000 1.433 333 I CB 0.335 38.405 38.000 0.117 0.000 1.354 333 I HN 0.553 nan 8.210 nan 0.000 0.579 334 G N 4.488 113.387 108.800 0.165 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 0.871 175.818 174.900 0.077 0.000 1.010 334 G CA 0.313 45.477 45.100 0.108 0.000 0.618 334 G HN 0.567 nan 8.290 nan 0.000 0.516 335 L N 0.023 121.337 121.223 0.152 0.000 2.046 335 L HA 0.254 4.594 4.340 0.000 0.000 0.208 335 L C 1.776 178.685 176.870 0.064 0.000 1.077 335 L CA 1.255 56.198 54.840 0.171 0.000 0.747 335 L CB -0.161 42.005 42.059 0.179 0.000 0.896 335 L HN 0.414 nan 8.230 nan 0.000 0.432 336 M N -1.964 117.593 119.600 -0.072 0.000 2.423 336 M HA 0.223 4.704 4.480 0.000 0.000 0.335 336 M C -1.144 174.949 176.300 -0.345 0.000 1.177 336 M CA -0.506 54.589 55.300 -0.341 0.000 1.038 336 M CB 1.636 33.905 32.600 -0.551 0.000 1.641 336 M HN -0.198 nan 8.290 nan 0.000 0.455 337 Y N 1.636 121.765 120.300 -0.285 0.000 2.335 337 Y HA 0.292 4.842 4.550 0.000 0.000 0.331 337 Y C -0.922 174.830 175.900 -0.246 0.000 1.094 337 Y CA 0.545 58.533 58.100 -0.187 0.000 1.253 337 Y CB 0.457 38.804 38.460 -0.188 0.000 1.203 337 Y HN 0.392 nan 8.280 nan 0.000 0.508 338 Y N 0.842 121.310 120.300 0.280 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 -2.178 56.073 58.100 0.251 0.000 1.028 338 Y CB 1.469 40.100 38.460 0.286 0.000 1.297 338 Y HN 0.643 nan 8.280 nan 0.000 0.463 339 N N 0.144 119.053 118.700 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 0.244 0.000 0.710 339 N CB -1.299 37.355 38.487 0.278 0.000 0.993 339 N HN 0.401 nan 8.380 nan 0.000 0.547 340 S N -0.583 115.179 115.700 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 -0.284 57.949 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 1.560 63.612 62.100 -0.080 0.000 1.123 341 T CB -0.373 68.463 68.868 -0.052 0.000 0.856 341 T HN 0.624 nan 8.240 nan 0.000 0.499 342 G N 1.220 109.953 108.800 -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 0.988 175.753 174.900 -0.225 0.000 1.133 342 G CA 0.006 45.026 45.100 -0.133 0.000 0.792 342 G HN 0.581 nan 8.290 nan 0.000 0.539 343 N N 0.130 118.640 118.700 -0.315 0.000 2.642 343 N HA 0.186 4.926 4.740 0.000 0.000 0.308 343 N C -0.592 174.636 175.510 -0.471 0.000 1.914 343 N CA -0.203 52.556 53.050 -0.485 0.000 0.893 343 N CB 0.926 38.837 38.487 -0.960 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 -0.396 0.000 2.228 344 M HA 0.217 4.697 4.480 0.000 0.000 0.351 344 M C 0.925 176.800 176.300 -0.708 0.000 1.233 344 M CA -0.035 54.981 55.300 -0.473 0.000 1.129 344 M CB 0.667 33.069 32.600 -0.331 0.000 1.604 344 M HN 0.218 nan 8.290 nan 0.000 0.457 345 G N 3.027 111.126 108.800 -1.168 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 -1.209 173.252 174.900 -0.733 0.000 1.216 345 G CA -0.639 43.402 45.100 -1.764 0.000 0.854 345 G HN 0.642 nan 8.290 nan 0.000 0.572 346 V N 0.934 120.666 119.914 -0.303 0.000 2.623 346 V HA 0.500 4.620 4.120 0.000 0.000 0.304 346 V C -0.892 175.388 176.094 0.311 0.000 1.054 346 V CA -0.616 61.692 62.300 0.014 0.000 0.882 346 V CB 1.636 33.455 31.823 -0.007 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 0.258 0.000 2.504 347 L HA 0.951 5.291 4.340 0.000 0.000 0.265 347 L C -0.398 176.583 176.870 0.184 0.000 0.975 347 L CA -0.054 54.941 54.840 0.259 0.000 0.864 347 L CB 1.281 43.449 42.059 0.182 0.000 1.212 347 L HN 0.859 nan 8.230 nan 0.000 0.416 348 A N 2.966 125.912 122.820 0.209 0.000 2.549 348 A HA 0.843 5.163 4.320 0.000 0.000 0.297 348 A C -0.199 177.530 177.584 0.242 0.000 1.061 348 A CA -0.200 51.955 52.037 0.197 0.000 0.690 348 A CB 1.279 20.357 19.000 0.128 0.000 1.287 348 A HN 0.903 nan 8.150 nan 0.000 0.402 349 G N -0.167 108.766 108.800 0.220 0.000 2.442 349 G HA2 0.396 4.356 3.960 0.000 0.000 0.249 349 G HA3 0.396 4.356 3.960 0.000 0.000 0.249 349 G C 0.401 175.301 174.900 -0.001 0.000 1.263 349 G CA -0.080 45.057 45.100 0.061 0.000 0.846 349 G HN 0.842 nan 8.290 nan 0.000 0.555 350 Q N 1.372 121.127 119.800 -0.075 0.000 2.050 350 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 350 Q C 2.961 178.944 176.000 -0.028 0.000 0.980 350 Q CA 1.743 57.524 55.803 -0.036 0.000 0.840 350 Q CB -0.110 28.596 28.738 -0.054 0.000 0.898 350 Q HN 0.712 nan 8.270 nan 0.000 0.424 351 A N 0.055 122.846 122.820 -0.048 0.000 1.902 351 A HA -0.196 4.124 4.320 0.000 0.000 0.217 351 A C 2.141 179.723 177.584 -0.004 0.000 1.181 351 A CA 1.765 53.785 52.037 -0.029 0.000 0.623 351 A CB -0.741 18.236 19.000 -0.039 0.000 0.818 351 A HN 0.336 nan 8.150 nan 0.000 0.443 352 S N -1.269 114.438 115.700 0.012 0.000 2.368 352 S HA -0.234 4.236 4.470 0.000 0.000 0.224 352 S C 1.392 176.016 174.600 0.041 0.000 1.029 352 S CA 1.745 59.969 58.200 0.040 0.000 0.988 352 S CB -0.335 62.908 63.200 0.071 0.000 0.838 352 S HN 0.663 nan 8.310 nan 0.000 0.462 353 Q N -1.198 118.625 119.800 0.038 0.000 2.177 353 Q HA -0.199 4.141 4.340 0.000 0.000 0.174 353 Q C 0.001 176.028 176.000 0.044 0.000 0.609 353 Q CA 1.096 56.919 55.803 0.035 0.000 1.453 353 Q CB -1.639 27.110 28.738 0.020 0.000 1.591 353 Q HN 0.449 nan 8.270 nan 0.000 0.818 354 L N 2.384 123.643 121.223 0.059 0.000 2.367 354 L HA 0.269 4.609 4.340 0.000 0.000 0.275 354 L C 0.257 177.177 176.870 0.083 0.000 1.129 354 L CA 0.590 55.470 54.840 0.067 0.000 0.839 354 L CB 0.831 42.937 42.059 0.079 0.000 1.133 354 L HN 0.250 nan 8.230 nan 0.000 0.453 355 N N 3.109 121.851 118.700 0.069 0.000 2.420 355 N HA 0.141 4.881 4.740 0.000 0.000 0.262 355 N C 0.854 176.435 175.510 0.118 0.000 1.144 355 N CA 0.131 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 0.782 nan 8.380 nan 0.000 0.480 356 A N 3.725 126.636 122.820 0.151 0.000 2.119 356 A HA 0.041 4.361 4.320 0.000 0.000 0.217 356 A C 0.621 178.388 177.584 0.304 0.000 1.153 356 A CA 0.452 52.615 52.037 0.210 0.000 0.692 356 A CB 0.204 19.300 19.000 0.159 0.000 0.799 356 A HN 0.463 nan 8.150 nan 0.000 0.458 357 V N 1.006 121.039 119.914 0.199 0.000 2.406 357 V HA 0.362 4.482 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 -0.186 62.204 62.300 0.150 0.000 0.915 357 V CB 1.251 33.063 31.823 -0.019 0.000 0.988 357 V HN 0.086 nan 8.190 nan 0.000 0.466 358 V N 4.457 124.283 119.914 -0.145 0.000 2.419 358 V HA 0.440 4.560 4.120 0.000 0.000 0.287 358 V C -0.554 175.368 176.094 -0.287 0.000 1.017 358 V CA -0.549 61.523 62.300 -0.381 0.000 0.844 358 V CB 1.643 33.015 31.823 -0.751 0.000 1.011 358 V HN 0.823 nan 8.190 nan 0.000 0.429 359 D N 3.311 123.618 120.400 -0.156 0.000 2.326 359 D HA 0.769 5.409 4.640 0.000 0.000 0.248 359 D C -0.857 175.466 176.300 0.038 0.000 1.001 359 D CA -0.268 53.743 54.000 0.018 0.000 0.961 359 D CB 2.242 43.001 40.800 -0.069 0.000 1.183 359 D HN 0.350 nan 8.370 nan 0.000 0.502 360 L N 1.017 122.320 121.223 0.133 0.000 2.388 360 L HA 0.332 4.672 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 2.216 44.350 42.059 0.125 0.000 1.338 360 L HN 0.387 nan 8.230 nan 0.000 0.414 361 Q N -1.009 118.848 119.800 0.094 0.000 2.415 361 Q HA -0.045 4.295 4.340 0.000 0.000 0.206 361 Q C 0.172 176.242 176.000 0.116 0.000 0.946 361 Q CA 0.507 56.371 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 0.833 121.307 120.400 0.124 0.000 2.354 362 D HA 0.039 4.679 4.640 0.000 0.000 0.209 362 D C -0.041 176.356 176.300 0.162 0.000 1.015 362 D CA 0.059 54.136 54.000 0.128 0.000 0.867 362 D CB 0.406 41.271 40.800 0.108 0.000 0.933 362 D HN 0.221 nan 8.370 nan 0.000 0.520 363 R N 0.316 120.928 120.500 0.186 0.000 2.573 363 R HA 0.302 4.642 4.340 0.000 0.000 0.272 363 R C -0.710 175.716 176.300 0.209 0.000 1.009 363 R CA -0.516 55.702 56.100 0.197 0.000 1.059 363 R CB 0.681 31.134 30.300 0.257 0.000 1.112 363 R HN -0.202 nan 8.270 nan 0.000 0.517 364 N N 1.262 120.055 118.700 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 -0.190 52.921 53.050 0.102 0.000 0.828 364 N CB 1.427 39.900 38.487 -0.023 0.000 1.158 364 N HN 0.572 nan 8.380 nan 0.000 0.519 365 T N 0.909 115.519 114.554 0.095 0.000 2.746 365 T HA -0.080 4.270 4.350 0.000 0.000 0.267 365 T C 1.353 176.005 174.700 -0.081 0.000 1.039 365 T CA 1.116 63.210 62.100 -0.012 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 0.870 121.039 120.200 -0.052 0.000 2.051 366 E HA -0.089 4.261 4.350 0.000 0.000 0.192 366 E C 2.258 178.865 176.600 0.012 0.000 0.991 366 E CA 0.829 57.224 56.400 -0.008 0.000 0.799 366 E CB -0.484 29.252 29.700 0.061 0.000 0.748 366 E HN 0.301 nan 8.360 nan 0.000 0.449 367 L N 1.085 122.286 121.223 -0.038 0.000 2.093 367 L HA -0.096 4.244 4.340 0.000 0.000 0.208 367 L C 2.484 179.339 176.870 -0.024 0.000 1.085 367 L CA 1.670 56.470 54.840 -0.066 0.000 0.755 367 L CB -0.687 41.313 42.059 -0.098 0.000 0.904 367 L HN -0.019 nan 8.230 nan 0.000 0.435 368 S N -1.681 114.029 115.700 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 0.054 0.000 1.030 368 S CA 1.604 59.843 58.200 0.065 0.000 1.002 368 S CB -0.598 62.638 63.200 0.059 0.000 0.829 368 S HN 0.651 nan 8.310 nan 0.000 0.467 369 Y N 1.393 121.641 120.300 -0.086 0.000 2.314 369 Y HA -0.013 4.537 4.550 0.000 0.000 0.293 369 Y C 2.570 178.401 175.900 -0.115 0.000 1.129 369 Y CA 1.507 59.539 58.100 -0.114 0.000 1.201 369 Y CB -0.143 38.243 38.460 -0.123 0.000 0.999 369 Y HN 0.267 nan 8.280 nan 0.000 0.541 370 Q N 0.251 120.039 119.800 -0.019 0.000 2.046 370 Q HA -0.163 4.177 4.340 0.000 0.000 0.200 370 Q C 2.341 178.261 176.000 -0.134 0.000 0.975 370 Q CA 1.677 57.436 55.803 -0.072 0.000 0.836 370 Q CB -0.510 28.158 28.738 -0.117 0.000 0.896 370 Q HN 0.541 nan 8.270 nan 0.000 0.428 371 L N 0.266 121.378 121.223 -0.184 0.000 2.141 371 L HA -0.152 4.188 4.340 0.000 0.000 0.209 371 L C 2.413 179.030 176.870 -0.421 0.000 1.094 371 L CA 0.363 55.113 54.840 -0.150 0.000 0.763 371 L CB -0.491 41.586 42.059 0.030 0.000 0.908 371 L HN 0.184 nan 8.230 nan 0.000 0.437 372 L N 0.177 120.993 121.223 -0.678 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 55.961 54.840 -1.018 0.000 0.745 372 L CB -0.393 41.251 42.059 -0.692 0.000 0.894 372 L HN 0.090 nan 8.230 nan 0.000 0.432 373 L N -0.457 120.481 121.223 -0.475 0.000 2.083 373 L HA -0.229 4.111 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 1.626 56.279 54.840 -0.311 0.000 0.752 373 L CB -0.757 41.134 42.059 -0.281 0.000 0.899 373 L HN 0.397 nan 8.230 nan 0.000 0.433 374 D N -0.373 119.979 120.400 -0.081 0.000 2.178 374 D HA -0.177 4.463 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 1.355 55.359 54.000 0.007 0.000 0.842 374 D CB 0.168 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 -0.288 115.355 115.700 -0.095 0.000 2.446 375 S HA -0.072 4.398 4.470 0.000 0.000 0.225 375 S C 1.941 176.519 174.600 -0.037 0.000 1.016 375 S CA 0.545 58.720 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 -2.024 118.493 120.570 -0.088 0.000 3.941 376 I HA 0.653 4.823 4.170 0.000 0.000 0.335 376 I C 0.615 176.709 176.117 -0.038 0.000 1.402 376 I CA -0.452 60.815 61.300 -0.055 0.000 1.112 376 I CB 0.174 38.127 38.000 -0.077 0.000 1.043 376 I HN 0.326 nan 8.210 nan 0.000 0.395 377 G N 0.523 109.303 108.800 -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 -2.061 172.827 174.900 -0.021 0.000 1.339 377 G CA -0.463 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 0.273 4.913 4.640 0.000 0.000 0.218 378 D C 1.359 177.642 176.300 -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 42.041 40.800 -0.039 0.000 1.029 378 D HN 0.272 nan 8.370 nan 0.000 0.515 379 R N 1.300 121.778 120.500 -0.036 0.000 2.377 379 R HA -0.072 4.268 4.340 0.000 0.000 0.207 379 R C 1.803 178.098 176.300 -0.007 0.000 1.075 379 R CA 1.158 57.246 56.100 -0.020 0.000 1.035 379 R CB -0.604 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 -2.852 111.675 114.554 -0.046 0.000 3.081 380 T HA 0.176 4.526 4.350 0.000 0.000 0.255 380 T C 0.712 175.317 174.700 -0.159 0.000 1.113 380 T CA -0.130 61.924 62.100 -0.078 0.000 1.082 380 T CB 0.101 68.900 68.868 -0.115 0.000 0.939 380 T HN -0.062 nan 8.240 nan 0.000 0.506 381 R N 1.138 121.582 120.500 -0.093 0.000 2.410 381 R HA 0.395 4.735 4.340 0.000 0.000 0.288 381 R C -0.959 175.395 176.300 0.089 0.000 1.051 381 R CA -0.503 55.520 56.100 -0.128 0.000 1.021 381 R CB 0.525 30.781 30.300 -0.073 0.000 1.032 381 R HN 0.278 nan 8.270 nan 0.000 0.481 382 Y N 1.783 122.007 120.300 -0.126 0.000 2.352 382 Y HA 0.371 4.921 4.550 0.000 0.000 0.326 382 Y C -0.036 175.907 175.900 0.073 0.000 1.166 382 Y CA -1.385 56.629 58.100 -0.143 0.000 1.182 382 Y CB 0.929 39.055 38.460 -0.556 0.000 1.216 382 Y HN 0.461 nan 8.280 nan 0.000 0.474 383 F N 2.264 122.288 119.950 0.123 0.000 2.828 383 F HA 0.192 4.719 4.527 0.000 0.000 0.355 383 F C 0.877 176.721 175.800 0.073 0.000 1.200 383 F CA -0.600 57.447 58.000 0.077 0.000 1.062 383 F CB 1.443 40.488 39.000 0.075 0.000 1.351 383 F HN 0.562 nan 8.300 nan 0.000 0.504 384 S N 4.926 120.765 115.700 0.232 0.000 2.400 384 S HA -0.261 4.209 4.470 0.000 0.000 0.232 384 S C 1.955 176.350 174.600 -0.343 0.000 1.025 384 S CA 1.351 59.559 58.200 0.013 0.000 0.993 384 S CB -0.266 62.989 63.200 0.092 0.000 0.808 384 S HN 0.907 nan 8.310 nan 0.000 0.478 385 M N -0.019 119.059 119.600 -0.871 0.000 2.082 385 M HA -0.071 4.409 4.480 0.000 0.000 0.258 385 M C 1.150 176.969 176.300 -0.801 0.000 1.069 385 M CA 1.855 56.497 55.300 -1.098 0.000 1.102 385 M CB -0.216 31.337 32.600 -1.745 0.000 1.336 385 M HN 0.553 nan 8.290 nan 0.000 0.404 386 W N -0.371 120.547 121.300 -0.637 0.000 3.316 386 W HA 0.224 4.884 4.660 0.000 0.000 0.327 386 W C 0.442 176.724 176.519 -0.394 0.000 1.232 386 W CA -0.669 56.525 57.345 -0.250 0.000 1.805 386 W CB -0.109 29.242 29.460 -0.182 0.000 1.090 386 W HN 0.359 nan 8.180 nan 0.000 0.654 387 N N 1.417 119.946 118.700 -0.284 0.000 2.754 387 N HA -0.259 4.481 4.740 0.000 0.000 0.248 387 N C -0.034 175.338 175.510 -0.230 0.000 1.093 387 N CA 0.694 53.476 53.050 -0.447 0.000 0.699 387 N CB -1.111 36.595 38.487 -1.303 0.000 1.016 387 N HN 0.335 nan 8.380 nan 0.000 0.552 388 Q N 0.267 120.040 119.800 -0.045 0.000 2.534 388 Q HA 0.496 4.836 4.340 0.000 0.000 0.223 388 Q C -0.862 175.142 176.000 0.005 0.000 1.239 388 Q CA 0.261 56.104 55.803 0.068 0.000 0.936 388 Q CB 0.083 28.977 28.738 0.261 0.000 1.457 388 Q HN 0.408 nan 8.270 nan 0.000 0.547 389 A N 3.964 126.702 122.820 -0.135 0.000 2.679 389 A HA 0.269 4.589 4.320 0.000 0.000 0.288 389 A C -0.878 176.582 177.584 -0.205 0.000 1.160 389 A CA -0.571 51.198 52.037 -0.447 0.000 0.763 389 A CB 1.113 19.596 19.000 -0.862 0.000 1.270 389 A HN 0.511 nan 8.150 nan 0.000 0.417 390 V N 2.636 122.537 119.914 -0.021 0.000 2.788 390 V HA 0.048 4.168 4.120 0.000 0.000 0.307 390 V C 0.087 176.200 176.094 0.031 0.000 1.069 390 V CA 0.300 62.615 62.300 0.024 0.000 1.173 390 V CB 0.495 32.349 31.823 0.052 0.000 0.925 390 V HN 0.813 nan 8.190 nan 0.000 0.492 391 D N 4.371 124.791 120.400 0.032 0.000 2.389 391 D HA 0.391 5.032 4.640 0.000 0.000 0.247 391 D C 0.033 176.477 176.300 0.241 0.000 1.128 391 D CA 0.512 54.575 54.000 0.106 0.000 0.884 391 D CB 1.353 42.163 40.800 0.017 0.000 1.194 391 D HN 0.831 nan 8.370 nan 0.000 0.441 392 S N 1.025 116.917 115.700 0.321 0.000 2.688 392 S HA 0.724 5.194 4.470 0.000 0.000 0.275 392 S C -1.121 173.517 174.600 0.063 0.000 1.175 392 S CA -0.991 57.322 58.200 0.188 0.000 0.818 392 S CB 1.592 64.791 63.200 -0.002 0.000 1.157 392 S HN 0.546 nan 8.310 nan 0.000 0.482 393 Y N -1.089 119.131 120.300 -0.133 0.000 2.644 393 Y HA 0.745 5.295 4.550 0.000 0.000 0.338 393 Y C -1.083 174.683 175.900 -0.224 0.000 1.119 393 Y CA -1.216 56.710 58.100 -0.290 0.000 1.060 393 Y CB 0.651 38.782 38.460 -0.548 0.000 1.294 393 Y HN 0.617 nan 8.280 nan 0.000 0.472 394 D N 2.051 122.465 120.400 0.024 0.000 2.343 394 D HA 0.240 4.880 4.640 0.000 0.000 0.255 394 D C -1.909 174.465 176.300 0.122 0.000 1.187 394 D CA -2.291 51.720 54.000 0.019 0.000 0.875 394 D CB 1.735 42.511 40.800 -0.040 0.000 1.136 394 D HN 0.356 nan 8.370 nan 0.000 0.469 395 P HA -0.098 nan 4.420 nan 0.000 0.216 395 P C 0.508 177.853 177.300 0.076 0.000 1.150 395 P CA 0.878 64.051 63.100 0.123 0.000 0.837 395 P CB 0.326 32.057 31.700 0.051 0.000 0.786 396 D N -1.450 119.005 120.400 0.090 0.000 2.348 396 D HA -0.037 4.603 4.640 0.000 0.000 0.216 396 D C 1.715 178.126 176.300 0.185 0.000 0.970 396 D CA 0.697 54.783 54.000 0.143 0.000 0.889 396 D CB 0.024 40.921 40.800 0.161 0.000 0.912 396 D HN 0.094 nan 8.370 nan 0.000 0.524 397 V N 0.428 120.372 119.914 0.050 0.000 2.685 397 V HA -0.055 4.065 4.120 0.000 0.000 0.244 397 V C 2.377 178.337 176.094 -0.224 0.000 1.054 397 V CA 0.594 62.822 62.300 -0.120 0.000 1.076 397 V CB -0.039 31.554 31.823 -0.383 0.000 0.725 397 V HN -0.028 nan 8.190 nan 0.000 0.467 398 R N 0.736 121.064 120.500 -0.288 0.000 2.075 398 R HA 0.070 4.410 4.340 0.000 0.000 0.232 398 R C 0.607 176.765 176.300 -0.235 0.000 1.126 398 R CA 1.526 57.375 56.100 -0.418 0.000 0.963 398 R CB -0.155 29.752 30.300 -0.656 0.000 0.858 398 R HN 0.455 nan 8.270 nan 0.000 0.435 399 I N 1.597 122.099 120.570 -0.114 0.000 2.411 399 I HA 0.270 4.440 4.170 0.000 0.000 0.284 399 I C -0.625 175.511 176.117 0.032 0.000 1.012 399 I CA -0.761 60.500 61.300 -0.064 0.000 1.119 399 I CB 1.952 39.919 38.000 -0.055 0.000 1.261 399 I HN -0.022 nan 8.210 nan 0.000 0.448 400 I N 5.883 126.495 120.570 0.071 0.000 2.517 400 I HA 0.080 4.250 4.170 0.000 0.000 0.285 400 I C 0.651 176.879 176.117 0.184 0.000 1.106 400 I CA 0.309 61.711 61.300 0.169 0.000 1.402 400 I CB 0.393 38.504 38.000 0.185 0.000 1.399 400 I HN 0.616 nan 8.210 nan 0.000 0.535 401 E N 6.685 126.994 120.200 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 0.115 0.000 0.754 401 E CB 0.590 30.343 29.700 0.089 0.000 1.177 401 E HN 0.430 nan 8.360 nan 0.000 0.430 402 N N 2.863 121.628 118.700 0.109 0.000 2.719 402 N HA -0.008 4.732 4.740 0.000 0.000 0.243 402 N C -0.162 175.304 175.510 -0.073 0.000 1.104 402 N CA -0.117 52.975 53.050 0.069 0.000 0.981 402 N CB 0.085 38.738 38.487 0.278 0.000 1.290 402 N HN 0.500 nan 8.380 nan 0.000 0.513 403 H N 1.222 120.204 119.070 -0.147 0.000 2.538 403 H HA 0.440 4.996 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 -0.166 55.797 56.048 -0.141 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 0.729 109.383 108.800 -0.242 0.000 2.542 404 G HA2 -0.168 3.792 3.960 0.000 0.000 0.235 404 G HA3 -0.168 3.792 3.960 0.000 0.000 0.235 404 G C -0.158 174.538 174.900 -0.340 0.000 1.286 404 G CA -0.013 44.970 45.100 -0.195 0.000 0.904 404 G HN 1.091 nan 8.290 nan 0.000 0.577 405 T N -2.517 111.946 114.554 -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 0.693 nan 8.240 nan 0.000 0.477 406 E N 2.268 122.433 120.200 -0.059 0.000 1.932 406 E HA 0.186 4.536 4.350 0.000 0.000 0.259 406 E C -0.328 176.247 176.600 -0.043 0.000 1.099 406 E CA -0.480 55.892 56.400 -0.048 0.000 0.970 406 E CB 0.121 29.789 29.700 -0.053 0.000 1.143 406 E HN 0.700 nan 8.360 nan 0.000 0.441 407 D N 1.375 121.751 120.400 -0.039 0.000 2.643 407 D HA 0.017 4.657 4.640 0.000 0.000 0.244 407 D C 0.596 176.866 176.300 -0.049 0.000 1.257 407 D CA -0.252 53.721 54.000 -0.046 0.000 0.831 407 D CB 0.371 41.147 40.800 -0.041 0.000 1.043 407 D HN 0.089 nan 8.370 nan 0.000 0.488 408 E N 0.322 120.497 120.200 -0.041 0.000 2.058 408 E HA -0.002 4.348 4.350 0.000 0.000 0.194 408 E C 0.576 177.151 176.600 -0.041 0.000 0.997 408 E CA 0.846 57.224 56.400 -0.036 0.000 0.801 408 E CB 0.071 29.754 29.700 -0.029 0.000 0.746 408 E HN 0.423 nan 8.360 nan 0.000 0.450 409 L N 2.486 123.681 121.223 -0.047 0.000 2.326 409 L HA 0.285 4.625 4.340 0.000 0.000 0.278 409 L C -1.969 174.834 176.870 -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 0.175 nan 4.420 nan 0.000 0.277 410 P C -1.476 175.495 177.300 -0.548 0.000 1.240 410 P CA -0.534 62.342 63.100 -0.374 0.000 0.798 410 P CB 0.842 32.292 31.700 -0.415 0.000 0.979 411 N N 1.166 119.491 118.700 -0.624 0.000 2.372 411 N HA 0.413 5.153 4.740 0.000 0.000 0.285 411 N C -0.999 174.134 175.510 -0.628 0.000 1.008 411 N CA -0.477 52.285 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 0.407 nan 8.380 nan 0.000 0.484 412 Y N -0.128 120.056 120.300 -0.194 0.000 2.602 412 Y HA 0.640 5.190 4.550 0.000 0.000 0.342 412 Y C 0.174 175.715 175.900 -0.599 0.000 1.029 412 Y CA -1.243 56.581 58.100 -0.461 0.000 1.080 412 Y CB 1.183 39.209 38.460 -0.723 0.000 1.284 412 Y HN 0.481 nan 8.280 nan 0.000 0.485 413 C N -0.108 118.868 119.300 -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 -0.689 0.000 1.208 413 C CA -1.136 57.632 59.018 -0.417 0.000 1.619 413 C CB -0.412 27.222 27.740 -0.176 0.000 2.230 413 C HN 0.632 nan 8.230 nan 0.000 0.492 414 F N 0.204 120.144 119.950 -0.018 0.000 2.639 414 F HA 0.755 5.282 4.527 0.000 0.000 0.339 414 F C -2.034 173.763 175.800 -0.005 0.000 1.071 414 F CA -2.322 55.656 58.000 -0.037 0.000 0.994 414 F CB 0.243 39.212 39.000 -0.052 0.000 1.341 414 F HN 0.362 nan 8.300 nan 0.000 0.498 415 P HA 0.211 nan 4.420 nan 0.000 0.269 415 P C 0.723 178.031 177.300 0.014 0.000 1.215 415 P CA -0.086 63.100 63.100 0.143 0.000 0.780 415 P CB 0.624 32.416 31.700 0.152 0.000 0.898 416 L N 1.118 122.325 121.223 -0.027 0.000 2.083 416 L HA -0.125 4.215 4.340 0.000 0.000 0.209 416 L C 2.482 178.999 176.870 -0.588 0.000 1.083 416 L CA 1.912 56.655 54.840 -0.162 0.000 0.752 416 L CB -1.172 40.880 42.059 -0.012 0.000 0.899 416 L HN 0.599 nan 8.230 nan 0.000 0.433 417 G N -0.864 107.461 108.800 -0.793 0.000 2.422 417 G HA2 0.026 3.986 3.960 0.000 0.000 0.218 417 G HA3 0.026 3.986 3.960 0.000 0.000 0.218 417 G C 1.303 175.723 174.900 -0.800 0.000 1.146 417 G CA 0.925 45.027 45.100 -1.664 0.000 0.769 417 G HN 0.580 nan 8.290 nan 0.000 0.547 418 G N -2.507 106.070 108.800 -0.372 0.000 2.184 418 G HA2 0.095 4.055 3.960 0.000 0.000 0.206 418 G HA3 0.095 4.055 3.960 0.000 0.000 0.206 418 G C 0.003 174.841 174.900 -0.104 0.000 0.995 418 G CA 0.346 45.315 45.100 -0.218 0.000 0.651 418 G HN 1.566 nan 8.290 nan 0.000 0.511 419 V N -0.527 119.354 119.914 -0.056 0.000 3.121 419 V HA 0.626 4.746 4.120 0.000 0.000 0.263 419 V C -0.298 175.853 176.094 0.095 0.000 1.795 419 V CA 0.164 62.491 62.300 0.044 0.000 0.979 419 V CB 1.763 33.605 31.823 0.032 0.000 1.335 419 V HN 0.652 nan 8.190 nan 0.000 0.462 420 I N 1.961 122.602 120.570 0.119 0.000 4.922 420 I HA 0.359 4.529 4.170 0.000 0.000 0.331 420 I C 0.295 176.449 176.117 0.061 0.000 1.260 420 I CA 0.054 61.424 61.300 0.116 0.000 1.366 420 I CB 0.759 38.826 38.000 0.111 0.000 1.386 420 I HN 0.677 nan 8.210 nan 0.000 0.483 421 N N 3.297 122.020 118.700 0.039 0.000 3.250 421 N HA 0.120 4.860 4.740 0.000 0.000 0.307 421 N C -0.162 175.362 175.510 0.022 0.000 1.355 421 N CA 0.207 53.262 53.050 0.007 0.000 1.192 421 N CB 0.007 38.486 38.487 -0.012 0.000 1.478 421 N HN 0.366 nan 8.380 nan 0.000 0.543 422 T N -1.647 112.926 114.554 0.032 0.000 2.899 422 T HA 0.304 4.654 4.350 0.000 0.000 0.295 422 T C 0.312 175.019 174.700 0.012 0.000 1.033 422 T CA -0.740 61.376 62.100 0.026 0.000 1.084 422 T CB 1.541 70.430 68.868 0.035 0.000 0.979 422 T HN 0.383 nan 8.240 nan 0.000 0.532 423 E N 0.833 121.036 120.200 0.005 0.000 2.212 423 E HA 0.415 4.765 4.350 0.000 0.000 0.268 423 E C -1.140 175.457 176.600 -0.006 0.000 0.902 423 E CA -1.028 55.372 56.400 -0.001 0.000 0.779 423 E CB 1.348 31.047 29.700 -0.001 0.000 1.172 423 E HN 0.514 nan 8.360 nan 0.000 0.409 424 T N 3.960 118.509 114.554 -0.008 0.000 2.779 424 T HA 0.296 4.646 4.350 0.000 0.000 0.296 424 T C 0.017 174.711 174.700 -0.009 0.000 0.938 424 T CA -0.118 61.976 62.100 -0.011 0.000 1.119 424 T CB -0.050 68.811 68.868 -0.012 0.000 0.891 424 T HN 0.316 nan 8.240 nan 0.000 0.526 425 L N 2.254 123.470 121.223 -0.011 0.000 2.283 425 L HA 0.649 4.989 4.340 0.000 0.000 0.259 425 L C 0.237 177.108 176.870 0.002 0.000 1.027 425 L CA -1.105 53.731 54.840 -0.007 0.000 0.828 425 L CB 2.263 44.314 42.059 -0.013 0.000 1.380 425 L HN 0.465 nan 8.230 nan 0.000 0.425 426 T N 0.465 115.024 114.554 0.009 0.000 2.829 426 T HA 0.275 4.625 4.350 0.000 0.000 0.280 426 T C -0.244 174.482 174.700 0.042 0.000 0.999 426 T CA -0.673 61.445 62.100 0.029 0.000 0.983 426 T CB 1.784 70.667 68.868 0.025 0.000 0.968 426 T HN 0.255 nan 8.240 nan 0.000 0.446 427 K N 2.171 122.630 120.400 0.098 0.000 2.469 427 K HA 0.321 4.641 4.320 0.000 0.000 0.274 427 K C -0.708 175.910 176.600 0.030 0.000 0.983 427 K CA 0.135 56.495 56.287 0.123 0.000 0.974 427 K CB 0.469 33.123 32.500 0.256 0.000 0.913 427 K HN 0.388 nan 8.250 nan 0.000 0.493 428 V N 3.592 123.494 119.914 -0.021 0.000 2.971 428 V HA 0.413 4.533 4.120 0.000 0.000 0.309 428 V C -0.685 175.388 176.094 -0.035 0.000 1.130 428 V CA -0.911 61.367 62.300 -0.035 0.000 0.964 428 V CB 2.475 34.236 31.823 -0.103 0.000 1.029 428 V HN 0.701 nan 8.190 nan 0.000 0.427 429 K N 4.024 124.458 120.400 0.056 0.000 2.426 429 K HA 0.613 4.933 4.320 0.000 0.000 0.251 429 K C -2.798 173.985 176.600 0.304 0.000 0.941 429 K CA -1.724 54.626 56.287 0.105 0.000 0.808 429 K CB 2.928 35.451 32.500 0.039 0.000 1.265 429 K HN 0.382 nan 8.250 nan 0.000 0.432 430 P HA 0.161 nan 4.420 nan 0.000 0.282 430 P C -1.299 176.057 177.300 0.094 0.000 1.287 430 P CA -0.387 62.918 63.100 0.341 0.000 0.792 430 P CB 0.458 32.337 31.700 0.297 0.000 1.163 431 K N -1.510 118.877 120.400 -0.022 0.000 6.365 431 K HA -0.100 4.220 4.320 0.000 0.000 0.786 431 K C 0.111 176.693 176.600 -0.030 0.000 2.401 431 K CA 0.587 56.853 56.287 -0.035 0.000 1.752 431 K CB -2.054 30.444 32.500 -0.004 0.000 2.498 431 K HN 0.830 nan 8.250 nan 0.000 0.213 432 T N -0.338 114.185 114.554 -0.053 0.000 6.178 432 T HA -0.106 4.244 4.350 0.000 0.000 0.277 432 T C 0.869 175.535 174.700 -0.057 0.000 2.183 432 T CA 1.278 63.355 62.100 -0.038 0.000 3.733 432 T CB -1.215 67.647 68.868 -0.009 0.000 0.719 432 T HN 0.969 nan 8.240 nan 0.000 0.455 433 G N 2.280 111.024 108.800 -0.094 0.000 3.448 433 G HA2 0.421 4.381 3.960 0.000 0.000 0.261 433 G HA3 0.421 4.381 3.960 0.000 0.000 0.261 433 G C 0.248 175.042 174.900 -0.177 0.000 1.173 433 G CA -0.138 44.892 45.100 -0.117 0.000 0.835 433 G HN 0.672 nan 8.290 nan 0.000 0.534 434 Q N 0.412 120.115 119.800 -0.162 0.000 2.454 434 Q HA 0.237 4.577 4.340 0.000 0.000 0.247 434 Q C -0.506 175.424 176.000 -0.116 0.000 1.028 434 Q CA -0.141 55.564 55.803 -0.163 0.000 0.910 434 Q CB 1.156 29.817 28.738 -0.128 0.000 1.276 434 Q HN 0.272 nan 8.270 nan 0.000 0.489 435 E N 1.927 122.062 120.200 -0.109 0.000 2.417 435 E HA -0.059 4.291 4.350 0.000 0.000 0.261 435 E C -0.648 175.828 176.600 -0.207 0.000 1.000 435 E CA -0.164 56.157 56.400 -0.131 0.000 0.919 435 E CB 0.128 29.771 29.700 -0.095 0.000 0.955 435 E HN 0.467 nan 8.360 nan 0.000 0.455 436 N N 1.526 120.057 118.700 -0.282 0.000 2.681 436 N HA -0.139 4.601 4.740 0.000 0.000 0.259 436 N C -0.603 174.476 175.510 -0.718 0.000 1.066 436 N CA 1.114 53.861 53.050 -0.505 0.000 0.717 436 N CB -1.293 36.952 38.487 -0.404 0.000 0.885 436 N HN 0.648 nan 8.380 nan 0.000 0.547 437 G N -0.763 107.662 108.800 -0.625 0.000 2.452 437 G HA2 0.652 4.612 3.960 0.000 0.000 0.324 437 G HA3 0.652 4.612 3.960 0.000 0.000 0.324 437 G C -0.724 173.879 174.900 -0.496 0.000 1.214 437 G CA -0.607 44.203 45.100 -0.482 0.000 0.947 437 G HN 0.186 nan 8.290 nan 0.000 0.478 438 W N 0.705 122.003 121.300 -0.003 0.000 2.736 438 W HA 0.549 5.209 4.660 0.000 0.000 0.335 438 W C -0.052 176.465 176.519 -0.004 0.000 1.059 438 W CA -0.678 56.664 57.345 -0.004 0.000 1.226 438 W CB 2.168 31.627 29.460 -0.002 0.000 1.416 438 W HN 0.500 nan 8.180 nan 0.000 0.505 439 E N 0.797 121.132 120.200 0.224 0.000 2.359 439 E HA 0.309 4.659 4.350 0.000 0.000 0.266 439 E C -0.581 176.075 176.600 0.093 0.000 0.920 439 E CA -1.058 55.415 56.400 0.121 0.000 0.788 439 E CB 2.759 32.502 29.700 0.071 0.000 1.279 439 E HN 0.113 nan 8.360 nan 0.000 0.438 440 K N 1.080 121.517 120.400 0.061 0.000 2.319 440 K HA 0.041 4.361 4.320 0.000 0.000 0.265 440 K C -0.373 176.242 176.600 0.025 0.000 1.000 440 K CA -0.016 56.296 56.287 0.042 0.000 0.943 440 K CB 0.364 32.886 32.500 0.036 0.000 0.950 440 K HN 0.353 nan 8.250 nan 0.000 0.485 441 D N 0.641 121.048 120.400 0.012 0.000 2.210 441 D HA 0.179 4.819 4.640 0.000 0.000 0.249 441 D C 0.182 176.480 176.300 -0.004 0.000 1.078 441 D CA -0.127 53.861 54.000 -0.019 0.000 0.875 441 D CB 1.769 42.525 40.800 -0.074 0.000 1.175 441 D HN 0.540 nan 8.370 nan 0.000 0.440 442 A N 2.342 125.153 122.820 -0.014 0.000 1.984 442 A HA -0.034 4.286 4.320 0.000 0.000 0.214 442 A C 1.465 179.050 177.584 0.002 0.000 1.173 442 A CA 0.897 52.934 52.037 -0.000 0.000 0.673 442 A CB -0.319 18.680 19.000 -0.002 0.000 0.830 442 A HN 0.611 nan 8.150 nan 0.000 0.453 443 T N 0.026 114.564 114.554 -0.027 0.000 3.500 443 T HA 0.230 4.580 4.350 0.000 0.000 0.244 443 T C 0.065 174.783 174.700 0.030 0.000 0.962 443 T CA -0.271 61.818 62.100 -0.020 0.000 0.932 443 T CB -0.828 67.999 68.868 -0.067 0.000 1.096 443 T HN 0.505 nan 8.240 nan 0.000 0.617 444 E N 0.591 120.847 120.200 0.094 0.000 2.458 444 E HA 0.142 4.492 4.350 0.000 0.000 0.264 444 E C -0.544 176.242 176.600 0.310 0.000 1.097 444 E CA -0.059 56.495 56.400 0.255 0.000 0.973 444 E CB 0.037 29.834 29.700 0.160 0.000 0.963 444 E HN 0.418 nan 8.360 nan 0.000 0.451 445 F N 0.185 120.129 119.950 -0.010 0.000 2.744 445 F HA -0.226 4.301 4.527 0.000 0.000 0.377 445 F C 0.512 176.303 175.800 -0.014 0.000 1.069 445 F CA 0.561 58.553 58.000 -0.013 0.000 1.211 445 F CB -2.049 36.944 39.000 -0.011 0.000 1.606 445 F HN 0.379 nan 8.300 nan 0.000 0.781 446 S N 0.392 116.119 115.700 0.045 0.000 2.599 446 S HA -0.006 4.464 4.470 0.000 0.000 0.303 446 S C 1.353 175.971 174.600 0.029 0.000 1.267 446 S CA 0.023 58.236 58.200 0.022 0.000 1.055 446 S CB 0.777 63.963 63.200 -0.024 0.000 0.790 446 S HN 0.546 nan 8.310 nan 0.000 0.500 447 D N 1.595 122.014 120.400 0.033 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 0.009 0.000 0.995 447 D CA 0.740 54.758 54.000 0.030 0.000 0.928 447 D CB -0.215 40.600 40.800 0.025 0.000 0.887 447 D HN 0.672 nan 8.370 nan 0.000 0.529 448 K N 0.772 121.167 120.400 -0.009 0.000 2.530 448 K HA 0.292 4.612 4.320 0.000 0.000 0.230 448 K C -0.883 175.691 176.600 -0.044 0.000 1.002 448 K CA -0.641 55.632 56.287 -0.024 0.000 1.014 448 K CB 0.942 33.426 32.500 -0.027 0.000 1.286 448 K HN -0.103 nan 8.250 nan 0.000 0.480 449 N N 2.030 120.704 118.700 -0.043 0.000 2.314 449 N HA 0.206 4.946 4.740 0.000 0.000 0.294 449 N C -1.027 174.455 175.510 -0.046 0.000 1.029 449 N CA -0.733 52.278 53.050 -0.065 0.000 0.845 449 N CB 1.851 40.289 38.487 -0.082 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 -0.359 176.233 176.600 -0.013 0.000 1.055 450 E CA 0.042 56.429 56.400 -0.022 0.000 0.843 450 E CB 0.676 30.369 29.700 -0.011 0.000 1.067 450 E HN 0.405 nan 8.360 nan 0.000 0.398 451 I N 2.698 123.263 120.570 -0.009 0.000 2.498 451 I HA 0.385 4.555 4.170 0.000 0.000 0.290 451 I C -0.280 175.838 176.117 0.003 0.000 1.032 451 I CA -1.274 60.022 61.300 -0.006 0.000 1.073 451 I CB 1.811 39.803 38.000 -0.014 0.000 1.251 451 I HN 0.209 nan 8.210 nan 0.000 0.426 452 R N 5.580 126.085 120.500 0.009 0.000 2.297 452 R HA 0.540 4.880 4.340 0.000 0.000 0.308 452 R C -1.617 174.687 176.300 0.007 0.000 1.029 452 R CA -0.287 55.822 56.100 0.015 0.000 0.929 452 R CB 1.140 31.455 30.300 0.025 0.000 1.046 452 R HN 0.407 nan 8.270 nan 0.000 0.461 453 V N 5.529 125.448 119.914 0.008 0.000 2.347 453 V HA 0.792 4.912 4.120 0.000 0.000 0.280 453 V C 0.732 176.833 176.094 0.011 0.000 1.021 453 V CA 0.488 62.790 62.300 0.004 0.000 0.847 453 V CB 0.418 32.241 31.823 0.001 0.000 0.990 453 V HN 1.066 nan 8.190 nan 0.000 0.444 454 G N 5.098 113.903 108.800 0.007 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 0.011 0.000 1.278 454 G CA -0.823 44.284 45.100 0.011 0.000 0.965 454 G HN 0.581 nan 8.290 nan 0.000 0.504 455 N N 0.959 119.667 118.700 0.013 0.000 2.424 455 N HA 0.326 5.066 4.740 0.000 0.000 0.257 455 N C 0.839 176.372 175.510 0.039 0.000 1.250 455 N CA 0.326 53.380 53.050 0.007 0.000 0.946 455 N CB 0.291 38.773 38.487 -0.008 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 0.041 0.000 2.317 456 N HA 0.065 4.805 4.740 0.000 0.000 0.245 456 N C -0.604 175.013 175.510 0.178 0.000 1.294 456 N CA -0.284 52.828 53.050 0.104 0.000 0.924 456 N CB 0.146 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 -0.330 119.662 119.950 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 0.065 0.000 1.099 457 F CA -0.877 57.155 58.000 0.054 0.000 1.185 457 F CB -0.106 38.923 39.000 0.048 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 -1.235 175.915 177.584 -0.722 0.000 1.059 458 A CA -0.885 50.749 52.037 -0.672 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 1.340 120.626 119.600 -0.524 0.000 2.465 459 M HA 0.470 4.950 4.480 0.000 0.000 0.316 459 M C -0.383 175.837 176.300 -0.135 0.000 1.121 459 M CA -0.215 54.904 55.300 -0.301 0.000 0.934 459 M CB 1.663 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 2.281 122.441 120.200 -0.067 0.000 2.207 460 E HA 0.782 5.132 4.350 0.000 0.000 0.270 460 E C -1.771 174.738 176.600 -0.151 0.000 0.927 460 E CA -0.635 55.700 56.400 -0.108 0.000 0.799 460 E CB 2.574 32.227 29.700 -0.078 0.000 1.172 460 E HN 0.728 nan 8.360 nan 0.000 0.404 461 I N 3.059 123.509 120.570 -0.199 0.000 2.722 461 I HA 0.277 4.447 4.170 0.000 0.000 0.292 461 I C -1.761 174.258 176.117 -0.162 0.000 1.267 461 I CA -0.807 60.401 61.300 -0.153 0.000 1.036 461 I CB 2.003 39.939 38.000 -0.106 0.000 1.281 461 I HN 0.483 nan 8.210 nan 0.000 0.423 462 N N 7.488 126.110 118.700 -0.130 0.000 2.602 462 N HA 0.229 4.969 4.740 0.000 0.000 0.238 462 N C 0.691 176.168 175.510 -0.055 0.000 1.084 462 N CA -0.021 52.967 53.050 -0.103 0.000 0.952 462 N CB 0.772 39.206 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 1.733 178.611 176.870 0.012 0.000 1.073 463 L CA 1.567 56.393 54.840 -0.022 0.000 0.762 463 L CB -0.253 41.789 42.059 -0.028 0.000 0.889 463 L HN 0.603 nan 8.230 nan 0.000 0.433 464 N N -0.861 117.843 118.700 0.006 0.000 2.149 464 N HA -0.208 4.532 4.740 0.000 0.000 0.188 464 N C 1.758 177.322 175.510 0.089 0.000 1.019 464 N CA 1.079 54.147 53.050 0.030 0.000 0.857 464 N CB -0.148 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 1.249 124.117 122.820 0.079 0.000 1.930 465 A HA -0.121 4.199 4.320 0.000 0.000 0.217 465 A C 1.985 179.665 177.584 0.159 0.000 1.175 465 A CA 1.116 53.239 52.037 0.143 0.000 0.627 465 A CB -0.374 18.678 19.000 0.087 0.000 0.815 465 A HN 0.264 nan 8.150 nan 0.000 0.443 466 N N 0.083 118.839 118.700 0.094 0.000 2.058 466 N HA -0.104 4.636 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 1.426 54.523 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 0.122 121.429 121.223 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 1.186 56.135 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 0.948 122.284 121.300 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 29.397 29.460 0.023 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 0.077 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 2.026 58.074 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 -0.380 118.367 118.700 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 1.368 54.486 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 2.116 177.873 175.800 -0.073 0.000 1.103 471 F CA 0.994 59.012 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 -1.056 120.014 121.223 -0.256 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 -0.221 0.000 1.077 472 L CA 1.780 56.390 54.840 -0.383 0.000 0.747 472 L CB -1.014 40.757 42.059 -0.479 0.000 0.896 472 L HN 0.249 nan 8.230 nan 0.000 0.432 473 Y N -0.260 119.914 120.300 -0.209 0.000 2.200 473 Y HA -0.273 4.277 4.550 0.000 0.000 0.290 473 Y C 2.988 178.826 175.900 -0.103 0.000 1.137 473 Y CA 1.755 59.770 58.100 -0.141 0.000 1.163 473 Y CB -0.006 38.386 38.460 -0.113 0.000 0.988 473 Y HN 0.114 nan 8.280 nan 0.000 0.518 474 S N -0.024 115.642 115.700 -0.057 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 0.032 0.000 1.029 474 S CA 1.707 59.875 58.200 -0.054 0.000 0.988 474 S CB -0.367 62.868 63.200 0.058 0.000 0.838 474 S HN 0.612 nan 8.310 nan 0.000 0.462 475 N N 0.085 118.732 118.700 -0.089 0.000 2.409 475 N HA 0.244 4.984 4.740 0.000 0.000 0.174 475 N C 1.512 177.052 175.510 0.050 0.000 1.037 475 N CA 0.879 53.937 53.050 0.013 0.000 0.898 475 N CB 0.225 38.466 38.487 -0.410 0.000 1.010 475 N HN 0.462 nan 8.380 nan 0.000 0.445 476 I N 0.296 120.805 120.570 -0.102 0.000 3.345 476 I HA 0.119 4.289 4.170 0.000 0.000 0.258 476 I C 2.264 178.348 176.117 -0.054 0.000 1.134 476 I CA 0.178 61.443 61.300 -0.058 0.000 1.457 476 I CB -0.314 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 1.765 124.482 122.820 -0.170 0.000 1.859 477 A HA -0.237 4.083 4.320 0.000 0.000 0.218 477 A C 2.234 179.622 177.584 -0.327 0.000 1.209 477 A CA 1.882 53.770 52.037 -0.248 0.000 0.639 477 A CB -1.258 17.529 19.000 -0.354 0.000 0.835 477 A HN 0.396 nan 8.150 nan 0.000 0.450 478 L N -2.307 118.615 121.223 -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 0.997 55.520 54.840 -0.530 0.000 0.791 478 L CB -0.361 41.318 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 1.065 176.900 175.900 -0.108 0.000 1.164 479 Y CA -0.590 57.425 58.100 -0.140 0.000 1.274 479 Y CB 0.076 38.487 38.460 -0.082 0.000 1.097 479 Y HN 0.013 nan 8.280 nan 0.000 0.523 480 L N 1.688 122.891 121.223 -0.033 0.000 2.483 480 L HA 0.052 4.392 4.340 0.000 0.000 0.275 480 L C -1.912 174.915 176.870 -0.072 0.000 1.220 480 L CA -1.747 53.060 54.840 -0.054 0.000 0.833 480 L CB 0.140 42.128 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 -0.069 177.186 177.300 -0.075 0.000 1.193 481 P CA 0.075 63.148 63.100 -0.046 0.000 0.770 481 P CB 0.491 32.169 31.700 -0.036 0.000 0.836 482 D N 2.437 122.818 120.400 -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 1.324 55.311 54.000 -0.022 0.000 0.857 482 D CB -0.027 40.813 40.800 0.067 0.000 0.934 482 D HN 0.427 nan 8.370 nan 0.000 0.475 483 K N -0.050 120.334 120.400 -0.028 0.000 2.280 483 K HA -0.104 4.216 4.320 0.000 0.000 0.202 483 K C 1.731 178.297 176.600 -0.058 0.000 1.047 483 K CA 0.888 57.160 56.287 -0.025 0.000 0.942 483 K CB -0.273 32.218 32.500 -0.016 0.000 0.739 483 K HN 0.246 nan 8.250 nan 0.000 0.457 484 L N 0.638 121.791 121.223 -0.117 0.000 2.592 484 L HA 0.138 4.478 4.340 0.000 0.000 0.227 484 L C 0.700 177.527 176.870 -0.071 0.000 1.127 484 L CA 0.026 54.780 54.840 -0.142 0.000 0.884 484 L CB 0.036 41.924 42.059 -0.284 0.000 1.065 484 L HN 0.118 nan 8.230 nan 0.000 0.457 485 K N -0.055 120.304 120.400 -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 -0.660 55.576 56.287 -0.085 0.000 0.937 485 K CB 1.413 33.796 32.500 -0.195 0.000 1.171 485 K HN -0.124 nan 8.250 nan 0.000 0.479 486 Y N -3.094 117.133 120.300 -0.122 0.000 2.552 486 Y HA 0.400 4.949 4.550 0.000 0.000 0.337 486 Y C -0.907 174.921 175.900 -0.121 0.000 1.094 486 Y CA -1.188 56.850 58.100 -0.103 0.000 1.028 486 Y CB 1.017 39.424 38.460 -0.089 0.000 1.321 486 Y HN 0.322 nan 8.280 nan 0.000 0.456 487 S N 4.725 120.447 115.700 0.036 0.000 2.564 487 S HA 0.310 4.780 4.470 0.000 0.000 0.278 487 S C -2.356 172.259 174.600 0.026 0.000 1.333 487 S CA -0.835 57.332 58.200 -0.056 0.000 1.048 487 S CB 0.278 63.472 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 -0.765 176.554 177.300 0.031 0.000 1.238 488 P CA -0.538 62.561 63.100 -0.003 0.000 0.794 488 P CB 0.730 32.396 31.700 -0.056 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 0.588 175.173 174.600 -0.025 0.000 1.281 489 S CA -0.566 57.646 58.200 0.021 0.000 1.045 489 S CB -0.049 63.171 63.200 0.033 0.000 0.962 489 S HN 0.552 nan 8.310 nan 0.000 0.503 490 N N -1.107 117.572 118.700 -0.034 0.000 2.800 490 N HA -0.130 4.610 4.740 0.000 0.000 0.250 490 N C -0.947 174.531 175.510 -0.053 0.000 1.078 490 N CA 0.959 53.975 53.050 -0.056 0.000 0.804 490 N CB -1.641 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 0.649 120.541 119.914 -0.036 0.000 2.656 491 V HA 0.264 4.384 4.120 0.000 0.000 0.307 491 V C 0.446 176.526 176.094 -0.022 0.000 1.051 491 V CA -0.965 61.317 62.300 -0.030 0.000 0.893 491 V CB 2.477 34.285 31.823 -0.026 0.000 0.999 491 V HN -0.034 nan 8.190 nan 0.000 0.426 492 K N 4.323 124.713 120.400 -0.016 0.000 2.379 492 K HA 0.537 4.857 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 0.060 56.342 56.287 -0.009 0.000 0.974 492 K CB 1.168 33.666 32.500 -0.003 0.000 0.962 492 K HN 0.574 nan 8.250 nan 0.000 0.474 493 I N 1.187 121.753 120.570 -0.006 0.000 2.582 493 I HA 0.115 4.285 4.170 0.000 0.000 0.292 493 I C -0.168 175.979 176.117 0.050 0.000 1.066 493 I CA -0.505 60.792 61.300 -0.004 0.000 1.053 493 I CB 2.064 40.040 38.000 -0.041 0.000 1.241 493 I HN 0.622 nan 8.210 nan 0.000 0.421 494 S N 3.800 119.544 115.700 0.072 0.000 2.566 494 S HA -0.004 4.466 4.470 0.000 0.000 0.280 494 S C 0.533 175.202 174.600 0.116 0.000 1.343 494 S CA 0.459 58.710 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 1.111 121.532 120.400 0.035 0.000 2.305 495 D HA 0.107 4.747 4.640 0.000 0.000 0.206 495 D C 0.118 176.345 176.300 -0.122 0.000 0.974 495 D CA 0.385 54.377 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 0.415 nan 8.370 nan 0.000 0.516 496 N N 1.037 119.664 118.700 -0.121 0.000 2.406 496 N HA 0.060 4.800 4.740 0.000 0.000 0.251 496 N C -1.881 173.398 175.510 -0.385 0.000 1.069 496 N CA -1.790 51.147 53.050 -0.188 0.000 0.947 496 N CB 1.424 39.859 38.487 -0.087 0.000 1.111 496 N HN -0.060 nan 8.380 nan 0.000 0.497 497 P HA -0.008 nan 4.420 nan 0.000 0.237 497 P C -0.072 177.043 177.300 -0.309 0.000 1.178 497 P CA 0.659 63.204 63.100 -0.926 0.000 0.766 497 P CB 0.492 31.743 31.700 -0.748 0.000 0.876 498 N N -0.649 117.950 118.700 -0.168 0.000 2.336 498 N HA 0.037 4.777 4.740 0.000 0.000 0.189 498 N C 0.464 175.967 175.510 -0.012 0.000 1.113 498 N CA 0.424 53.442 53.050 -0.054 0.000 0.858 498 N CB -0.031 38.431 38.487 -0.042 0.000 0.970 498 N HN 0.098 nan 8.380 nan 0.000 0.471 499 T N -0.016 114.534 114.554 -0.008 0.000 2.913 499 T HA 0.065 4.415 4.350 0.000 0.000 0.287 499 T C 1.054 175.808 174.700 0.090 0.000 1.008 499 T CA -0.385 61.745 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 2.014 122.298 120.300 -0.027 0.000 2.220 500 Y HA -0.107 4.443 4.550 0.000 0.000 0.291 500 Y C 2.234 178.088 175.900 -0.077 0.000 1.129 500 Y CA 1.968 60.030 58.100 -0.064 0.000 1.161 500 Y CB -0.155 38.253 38.460 -0.086 0.000 0.997 500 Y HN 0.826 nan 8.280 nan 0.000 0.522 501 D N -0.873 119.524 120.400 -0.005 0.000 2.133 501 D HA -0.317 4.323 4.640 0.000 0.000 0.195 501 D C 2.033 178.226 176.300 -0.179 0.000 0.997 501 D CA 1.848 55.779 54.000 -0.115 0.000 0.840 501 D CB -0.541 40.264 40.800 0.009 0.000 0.947 501 D HN 0.537 nan 8.370 nan 0.000 0.452 502 Y N 0.336 120.521 120.300 -0.192 0.000 2.163 502 Y HA -0.111 4.439 4.550 0.000 0.000 0.288 502 Y C 2.129 177.877 175.900 -0.253 0.000 1.136 502 Y CA 1.614 59.604 58.100 -0.183 0.000 1.147 502 Y CB -0.141 38.248 38.460 -0.118 0.000 0.987 502 Y HN -0.002 nan 8.280 nan 0.000 0.509 503 M N -0.214 119.293 119.600 -0.155 0.000 2.460 503 M HA -0.130 4.350 4.480 0.000 0.000 0.263 503 M C 1.519 177.520 176.300 -0.499 0.000 1.071 503 M CA 1.548 56.674 55.300 -0.291 0.000 1.096 503 M CB -0.323 32.154 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 -0.018 4.722 4.740 0.000 0.000 0.174 504 N C 1.276 176.392 175.510 -0.657 0.000 1.037 504 N CA 0.909 53.507 53.050 -0.753 0.000 0.898 504 N CB 0.306 38.147 38.487 -1.076 0.000 1.010 504 N HN 0.208 nan 8.380 nan 0.000 0.445 505 K N -0.591 119.484 120.400 -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 0.500 32.818 32.500 -0.303 0.000 0.873 505 K HN -0.022 nan 8.250 nan 0.000 0.523 506 R N 1.963 122.162 120.500 -0.502 0.000 2.502 506 R HA 0.011 4.351 4.340 0.000 0.000 0.292 506 R C -0.216 175.821 176.300 -0.438 0.000 0.998 506 R CA 0.130 55.919 56.100 -0.520 0.000 1.056 506 R CB 0.595 30.521 30.300 -0.622 0.000 0.939 506 R HN -0.033 nan 8.270 nan 0.000 0.411 507 V N 3.916 123.507 119.914 -0.537 0.000 2.539 507 V HA 0.454 4.574 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 1.895 33.319 31.823 -0.663 0.000 0.993 507 V HN 0.449 nan 8.190 nan 0.000 0.464 508 V N 6.827 126.577 119.914 -0.274 0.000 2.604 508 V HA 0.875 4.995 4.120 0.000 0.000 0.305 508 V C 0.386 176.509 176.094 0.048 0.000 1.043 508 V CA -0.074 62.148 62.300 -0.130 0.000 0.888 508 V CB 1.668 33.399 31.823 -0.153 0.000 0.995 508 V HN 1.492 nan 8.190 nan 0.000 0.429 509 A N 7.249 130.115 122.820 0.077 0.000 2.454 509 A HA 0.552 4.872 4.320 0.000 0.000 0.260 509 A C -1.660 175.985 177.584 0.102 0.000 1.106 509 A CA -0.967 51.116 52.037 0.078 0.000 0.780 509 A CB 0.264 19.285 19.000 0.034 0.000 1.044 509 A HN 0.809 nan 8.150 nan 0.000 0.498 510 P HA -0.120 nan 4.420 nan 0.000 0.218 510 P C 1.588 178.911 177.300 0.037 0.000 1.148 510 P CA 1.701 64.852 63.100 0.086 0.000 0.822 510 P CB 0.204 31.830 31.700 -0.123 0.000 0.784 511 G N -0.758 108.061 108.800 0.033 0.000 2.586 511 G HA2 -0.179 3.781 3.960 0.000 0.000 0.215 511 G HA3 -0.179 3.781 3.960 0.000 0.000 0.215 511 G C 1.280 176.219 174.900 0.064 0.000 1.128 511 G CA 0.252 45.388 45.100 0.060 0.000 0.774 511 G HN 0.263 nan 8.290 nan 0.000 0.543 512 L N -0.363 120.890 121.223 0.050 0.000 2.240 512 L HA 0.112 4.452 4.340 0.000 0.000 0.211 512 L C 0.593 177.504 176.870 0.070 0.000 1.106 512 L CA 0.402 55.284 54.840 0.070 0.000 0.793 512 L CB 0.343 42.425 42.059 0.038 0.000 0.927 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 V N -0.892 119.025 119.914 0.007 0.000 2.502 513 V HA 0.224 4.344 4.120 0.000 0.000 0.261 513 V C -0.505 175.494 176.094 -0.158 0.000 0.996 513 V CA -0.605 61.667 62.300 -0.046 0.000 1.095 513 V CB 0.798 32.591 31.823 -0.050 0.000 1.325 513 V HN 0.068 nan 8.190 nan 0.000 0.574 514 D N 0.580 120.811 120.400 -0.282 0.000 2.387 514 D HA 0.154 4.794 4.640 0.000 0.000 0.251 514 D C 1.437 177.426 176.300 -0.519 0.000 1.141 514 D CA -0.099 53.613 54.000 -0.480 0.000 0.987 514 D CB 2.270 42.586 40.800 -0.806 0.000 1.116 514 D HN 0.559 nan 8.370 nan 0.000 0.491 515 C N 0.534 119.594 119.300 -0.400 0.000 2.421 515 C HA -0.100 4.360 4.460 0.000 0.000 0.296 515 C C 1.658 176.711 174.990 0.106 0.000 1.470 515 C CA -0.102 58.842 59.018 -0.124 0.000 1.779 515 C CB -2.316 25.513 27.740 0.148 0.000 1.715 515 C HN 0.566 nan 8.230 nan 0.000 0.564 516 Y N -1.361 119.026 120.300 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 -2.389 55.782 58.100 0.119 0.000 1.230 516 Y CB -1.142 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 3.022 123.640 120.570 0.080 0.000 2.517 517 I HA 0.104 4.274 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 0.158 61.532 61.300 0.124 0.000 1.402 517 I CB -0.152 37.878 38.000 0.050 0.000 1.399 517 I HN 0.426 nan 8.210 nan 0.000 0.535 518 N N 5.592 124.361 118.700 0.115 0.000 2.698 518 N HA -0.236 4.504 4.740 0.000 0.000 0.258 518 N C -0.321 175.238 175.510 0.082 0.000 0.978 518 N CA 0.561 53.646 53.050 0.058 0.000 0.777 518 N CB -0.866 37.658 38.487 0.060 0.000 0.907 518 N HN 0.592 nan 8.380 nan 0.000 0.543 519 L N 0.075 121.354 121.223 0.093 0.000 2.578 519 L HA 0.030 4.370 4.340 0.000 0.000 0.279 519 L C 1.662 178.565 176.870 0.055 0.000 1.227 519 L CA 1.220 56.119 54.840 0.099 0.000 0.900 519 L CB 0.172 42.291 42.059 0.099 0.000 1.144 519 L HN 0.623 nan 8.230 nan 0.000 0.496 520 G N 2.495 111.332 108.800 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 0.097 175.025 174.900 0.047 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 0.191 177.860 177.584 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 20.158 19.000 0.042 0.000 1.293 521 A HN 0.763 nan 8.150 nan 0.000 0.452 522 R N 1.470 122.071 120.500 0.168 0.000 2.287 522 R HA 0.370 4.710 4.340 0.000 0.000 0.316 522 R C -1.628 174.843 176.300 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 4.193 125.502 121.300 0.015 0.000 3.259 523 W HA 0.222 4.882 4.660 0.000 0.000 0.331 523 W C -1.275 175.239 176.519 -0.008 0.000 1.144 523 W CA -0.612 56.733 57.345 -0.000 0.000 1.227 523 W CB 2.144 31.608 29.460 0.008 0.000 1.371 523 W HN 0.585 nan 8.180 nan 0.000 0.491 524 S N 4.834 120.265 115.700 -0.449 0.000 2.537 524 S HA 0.510 4.980 4.470 0.000 0.000 0.275 524 S C -0.122 174.232 174.600 -0.411 0.000 1.272 524 S CA -0.669 57.316 58.200 -0.358 0.000 1.050 524 S CB 1.436 64.396 63.200 -0.399 0.000 0.961 524 S HN 0.428 nan 8.310 nan 0.000 0.496 525 L N 2.989 124.152 121.223 -0.100 0.000 2.499 525 L HA 0.061 4.401 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 -0.372 54.486 54.840 0.030 0.000 0.882 525 L CB 0.096 42.224 42.059 0.116 0.000 1.133 525 L HN 0.738 nan 8.230 nan 0.000 0.483 526 D N 1.883 122.255 120.400 -0.047 0.000 2.190 526 D HA -0.217 4.423 4.640 0.000 0.000 0.200 526 D C 1.748 178.018 176.300 -0.050 0.000 0.992 526 D CA 1.700 55.641 54.000 -0.099 0.000 0.854 526 D CB 0.031 40.776 40.800 -0.093 0.000 0.936 526 D HN 0.510 nan 8.370 nan 0.000 0.462 527 Y N -0.174 120.155 120.300 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 0.022 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 -0.824 118.859 119.600 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 0.542 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 0.136 nan 8.290 nan 0.000 0.484 529 D N 1.682 122.061 120.400 -0.036 0.000 2.133 529 D HA -0.149 4.491 4.640 0.000 0.000 0.195 529 D C 1.076 177.477 176.300 0.167 0.000 0.997 529 D CA 1.233 55.182 54.000 -0.085 0.000 0.840 529 D CB -0.190 40.510 40.800 -0.167 0.000 0.947 529 D HN 0.305 nan 8.370 nan 0.000 0.452 530 N N -0.155 118.689 118.700 0.240 0.000 2.313 530 N HA 0.044 4.784 4.740 0.000 0.000 0.207 530 N C -0.580 175.144 175.510 0.357 0.000 1.141 530 N CA 0.003 53.258 53.050 0.342 0.000 0.830 530 N CB 0.946 39.568 38.487 0.226 0.000 1.008 530 N HN -0.003 nan 8.380 nan 0.000 0.481 531 V N 1.538 121.573 119.914 0.200 0.000 2.439 531 V HA 0.137 4.257 4.120 0.000 0.000 0.282 531 V C 0.576 176.552 176.094 -0.196 0.000 1.039 531 V CA -1.173 61.176 62.300 0.083 0.000 0.913 531 V CB 1.434 33.282 31.823 0.042 0.000 0.983 531 V HN 0.194 nan 8.190 nan 0.000 0.460 532 N N 7.810 126.286 118.700 -0.373 0.000 2.386 532 N HA 0.006 4.746 4.740 0.000 0.000 0.273 532 N C -1.158 174.075 175.510 -0.462 0.000 1.331 532 N CA -1.045 51.472 53.050 -0.888 0.000 0.891 532 N CB 1.305 39.639 38.487 -0.255 0.000 1.139 532 N HN 0.406 nan 8.380 nan 0.000 0.487 533 P HA -0.062 nan 4.420 nan 0.000 0.229 533 P C 0.847 177.848 177.300 -0.498 0.000 1.160 533 P CA 0.910 63.627 63.100 -0.639 0.000 0.777 533 P CB 0.017 31.077 31.700 -1.067 0.000 0.814 534 F N 0.211 120.137 119.950 -0.040 0.000 2.512 534 F HA 0.072 4.599 4.527 0.000 0.000 0.296 534 F C 1.195 177.045 175.800 0.084 0.000 1.110 534 F CA 0.292 58.341 58.000 0.081 0.000 1.446 534 F CB -0.997 38.069 39.000 0.108 0.000 1.092 534 F HN -0.154 nan 8.300 nan 0.000 0.554 535 N N 1.242 120.068 118.700 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 53.553 53.050 0.213 0.000 1.106 535 N CB -0.574 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 0.588 119.687 119.070 0.048 0.000 3.012 536 H HA 0.063 4.619 4.556 0.000 0.000 0.367 536 H C 0.829 176.200 175.328 0.072 0.000 1.211 536 H CA -0.392 55.582 56.048 -0.125 0.000 1.139 536 H CB 1.251 30.740 29.762 -0.455 0.000 1.838 536 H HN 0.451 nan 8.280 nan 0.000 0.550 537 H N 2.587 121.698 119.070 0.068 0.000 2.559 537 H HA 0.081 4.637 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 0.339 56.577 56.048 0.317 0.000 1.195 537 H CB 0.266 30.197 29.762 0.281 0.000 1.368 537 H HN 0.358 nan 8.280 nan 0.000 0.592 538 R N 1.087 121.613 120.500 0.045 0.000 2.466 538 R HA 0.075 4.415 4.340 0.000 0.000 0.279 538 R C -0.005 176.292 176.300 -0.004 0.000 0.976 538 R CA -0.173 55.903 56.100 -0.039 0.000 1.081 538 R CB -0.065 30.126 30.300 -0.182 0.000 1.215 538 R HN 0.386 nan 8.270 nan 0.000 0.546 539 N N 0.708 119.440 118.700 0.053 0.000 2.415 539 N HA 0.060 4.800 4.740 0.000 0.000 0.250 539 N C 1.028 176.558 175.510 0.032 0.000 1.127 539 N CA -0.242 52.850 53.050 0.070 0.000 0.945 539 N CB 1.032 39.602 38.487 0.139 0.000 1.196 539 N HN 0.083 nan 8.380 nan 0.000 0.499 540 A N 3.663 126.512 122.820 0.049 0.000 1.908 540 A HA -0.128 4.192 4.320 0.000 0.000 0.218 540 A C 2.028 179.659 177.584 0.079 0.000 1.181 540 A CA 1.863 53.949 52.037 0.081 0.000 0.627 540 A CB -1.087 17.994 19.000 0.136 0.000 0.818 540 A HN 0.782 nan 8.150 nan 0.000 0.445 541 G N -0.117 108.713 108.800 0.049 0.000 2.459 541 G HA2 -0.169 3.791 3.960 0.000 0.000 0.217 541 G HA3 -0.169 3.791 3.960 0.000 0.000 0.217 541 G C 1.494 176.347 174.900 -0.078 0.000 1.183 541 G CA 1.278 46.312 45.100 -0.110 0.000 0.776 541 G HN 0.585 nan 8.290 nan 0.000 0.552 542 L N 0.713 121.927 121.223 -0.016 0.000 2.046 542 L HA 0.077 4.417 4.340 0.000 0.000 0.208 542 L C 2.675 179.497 176.870 -0.079 0.000 1.077 542 L CA 2.278 57.113 54.840 -0.009 0.000 0.747 542 L CB -0.761 41.330 42.059 0.053 0.000 0.896 542 L HN 0.260 nan 8.230 nan 0.000 0.432 543 R N -1.849 118.529 120.500 -0.203 0.000 2.091 543 R HA -0.269 4.071 4.340 0.000 0.000 0.238 543 R C 2.422 178.621 176.300 -0.168 0.000 1.136 543 R CA 2.057 57.871 56.100 -0.476 0.000 0.959 543 R CB -0.663 29.327 30.300 -0.517 0.000 0.856 543 R HN 0.576 nan 8.270 nan 0.000 0.437 544 Y N 0.667 120.869 120.300 -0.164 0.000 2.163 544 Y HA -0.167 4.383 4.550 0.000 0.000 0.288 544 Y C 2.139 177.982 175.900 -0.095 0.000 1.136 544 Y CA 1.763 59.799 58.100 -0.107 0.000 1.147 544 Y CB -0.018 38.332 38.460 -0.184 0.000 0.987 544 Y HN -0.038 nan 8.280 nan 0.000 0.509 545 R N -0.527 119.939 120.500 -0.057 0.000 2.148 545 R HA -0.133 4.207 4.340 0.000 0.000 0.227 545 R C 2.746 179.006 176.300 -0.066 0.000 1.103 545 R CA 1.206 57.251 56.100 -0.093 0.000 0.983 545 R CB -0.439 29.842 30.300 -0.032 0.000 0.874 545 R HN 0.298 nan 8.270 nan 0.000 0.451 546 S N 0.163 115.854 115.700 -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 0.089 0.000 1.031 546 S CA 1.037 59.294 58.200 0.093 0.000 0.982 546 S CB 0.054 63.432 63.200 0.298 0.000 0.853 546 S HN 0.215 nan 8.310 nan 0.000 0.458 547 M N 0.493 120.106 119.600 0.022 0.000 2.492 547 M HA 0.073 4.553 4.480 0.000 0.000 0.262 547 M C 1.731 177.978 176.300 -0.088 0.000 1.090 547 M CA 0.398 55.706 55.300 0.014 0.000 1.110 547 M CB -0.196 32.408 32.600 0.007 0.000 1.407 547 M HN 0.284 nan 8.290 nan 0.000 0.470 548 L N 0.395 121.493 121.223 -0.209 0.000 2.141 548 L HA -0.094 4.246 4.340 0.000 0.000 0.209 548 L C 1.926 178.766 176.870 -0.050 0.000 1.094 548 L CA 1.734 56.441 54.840 -0.222 0.000 0.763 548 L CB -0.378 41.493 42.059 -0.312 0.000 0.908 548 L HN 0.284 nan 8.230 nan 0.000 0.437 549 L N -1.889 119.334 121.223 -0.001 0.000 2.209 549 L HA 0.305 4.645 4.340 0.000 0.000 0.207 549 L C 1.093 177.993 176.870 0.050 0.000 1.094 549 L CA 0.455 55.327 54.840 0.053 0.000 0.790 549 L CB -0.322 41.750 42.059 0.022 0.000 0.932 549 L HN 0.409 nan 8.230 nan 0.000 0.447 550 G N -0.056 108.777 108.800 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 -0.631 174.368 174.900 0.166 0.000 1.294 550 G CA -0.044 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 -0.046 118.766 118.700 0.185 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 0.761 53.972 53.050 0.269 0.000 0.872 551 N CB 1.152 39.734 38.487 0.158 0.000 1.025 551 N HN 1.069 nan 8.380 nan 0.000 0.514 552 G N 0.197 109.156 108.800 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 0.421 175.373 174.900 0.086 0.000 1.189 552 G CA -0.789 44.437 45.100 0.209 0.000 0.962 552 G HN 0.137 nan 8.290 nan 0.000 0.486 553 R N -0.763 119.714 120.500 -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 56.730 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 0.634 120.926 120.300 -0.013 0.000 2.383 554 Y HA 0.367 4.917 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 -0.776 57.316 58.100 -0.013 0.000 1.175 554 Y CB 1.734 40.197 38.460 0.005 0.000 1.152 554 Y HN -0.243 nan 8.280 nan 0.000 0.511 555 V N 6.127 126.126 119.914 0.143 0.000 2.524 555 V HA 0.384 4.504 4.120 0.000 0.000 0.297 555 V C -2.497 173.707 176.094 0.183 0.000 1.035 555 V CA -2.017 60.363 62.300 0.133 0.000 0.867 555 V CB 2.269 34.143 31.823 0.084 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 -0.929 176.435 177.300 0.107 0.000 1.326 556 P CA -0.173 62.952 63.100 0.041 0.000 0.787 556 P CB 0.665 32.365 31.700 0.001 0.000 0.903 557 F N 1.202 121.228 119.950 0.125 0.000 2.440 557 F HA 0.650 5.177 4.527 0.000 0.000 0.328 557 F C -0.379 175.528 175.800 0.178 0.000 1.070 557 F CA -1.162 56.943 58.000 0.175 0.000 1.011 557 F CB 1.426 40.600 39.000 0.290 0.000 1.226 557 F HN 0.403 nan 8.300 nan 0.000 0.491 558 H N 3.891 123.100 119.070 0.233 0.000 3.181 558 H HA 0.581 5.137 4.556 0.000 0.000 0.331 558 H C -1.477 173.913 175.328 0.103 0.000 0.988 558 H CA -0.915 55.188 56.048 0.093 0.000 1.449 558 H CB 1.422 31.197 29.762 0.022 0.000 1.749 558 H HN 0.895 nan 8.280 nan 0.000 0.501 559 I N 0.953 121.639 120.570 0.194 0.000 3.145 559 I HA 0.534 4.704 4.170 0.000 0.000 0.313 559 I C -1.558 174.470 176.117 -0.149 0.000 1.122 559 I CA -1.273 59.970 61.300 -0.096 0.000 0.987 559 I CB 2.680 40.459 38.000 -0.368 0.000 1.236 559 I HN 0.390 nan 8.210 nan 0.000 0.453 560 Q N 2.383 122.057 119.800 -0.211 0.000 2.333 560 Q HA 0.629 4.969 4.340 0.000 0.000 0.268 560 Q C -1.220 174.832 176.000 0.086 0.000 1.007 560 Q CA -0.547 55.186 55.803 -0.117 0.000 0.810 560 Q CB 2.541 30.944 28.738 -0.557 0.000 1.264 560 Q HN 0.548 nan 8.270 nan 0.000 0.452 561 V N 4.853 124.867 119.914 0.167 0.000 2.417 561 V HA 0.576 4.696 4.120 0.000 0.000 0.291 561 V C -2.138 174.072 176.094 0.192 0.000 1.024 561 V CA -1.831 60.570 62.300 0.168 0.000 0.861 561 V CB 1.558 33.424 31.823 0.073 0.000 0.985 561 V HN 0.710 nan 8.190 nan 0.000 0.436 562 P HA 0.268 nan 4.420 nan 0.000 0.279 562 P C -1.247 175.893 177.300 -0.267 0.000 1.252 562 P CA -0.614 62.252 63.100 -0.389 0.000 0.811 562 P CB 1.324 32.446 31.700 -0.962 0.000 1.035 563 Q N 1.375 121.003 119.800 -0.286 0.000 2.274 563 Q HA 0.187 4.527 4.340 0.000 0.000 0.256 563 Q C 0.317 176.175 176.000 -0.236 0.000 0.927 563 Q CA 0.453 56.117 55.803 -0.231 0.000 0.939 563 Q CB 0.867 29.473 28.738 -0.221 0.000 1.201 563 Q HN 0.296 nan 8.270 nan 0.000 0.426 564 K N 3.411 123.705 120.400 -0.177 0.000 2.380 564 K HA 0.152 4.472 4.320 0.000 0.000 0.198 564 K C -0.331 176.192 176.600 -0.128 0.000 1.070 564 K CA -0.268 55.816 56.287 -0.338 0.000 1.040 564 K CB 0.422 32.508 32.500 -0.690 0.000 0.903 564 K HN 0.478 nan 8.250 nan 0.000 0.549 565 F N 2.839 122.714 119.950 -0.125 0.000 2.590 565 F HA -0.077 4.450 4.527 0.000 0.000 0.389 565 F C 1.111 176.897 175.800 -0.022 0.000 1.049 565 F CA -1.127 56.885 58.000 0.020 0.000 1.199 565 F CB 0.200 39.343 39.000 0.239 0.000 1.058 565 F HN 0.057 nan 8.300 nan 0.000 0.556 566 F N 4.300 123.927 119.950 -0.539 0.000 2.161 566 F HA -0.116 4.411 4.527 0.000 0.000 0.300 566 F C 1.767 177.322 175.800 -0.409 0.000 1.089 566 F CA 1.333 59.103 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 1.198 123.073 122.820 -1.576 0.000 2.067 567 A HA 0.035 4.355 4.320 0.000 0.000 0.219 567 A C 2.104 179.382 177.584 -0.510 0.000 1.158 567 A CA 1.640 53.111 52.037 -0.943 0.000 0.661 567 A CB -1.116 17.456 19.000 -0.713 0.000 0.801 567 A HN 0.796 nan 8.150 nan 0.000 0.452 568 I N -4.740 115.618 120.570 -0.354 0.000 4.526 568 I HA 0.216 4.386 4.170 0.000 0.000 0.330 568 I C 1.621 177.539 176.117 -0.331 0.000 1.323 568 I CA 0.547 61.670 61.300 -0.295 0.000 1.218 568 I CB 0.000 37.956 38.000 -0.074 0.000 1.233 568 I HN 0.140 nan 8.210 nan 0.000 0.430 569 K N 1.979 122.199 120.400 -0.299 0.000 2.152 569 K HA -0.081 4.239 4.320 0.000 0.000 0.206 569 K C 0.563 177.022 176.600 -0.235 0.000 1.048 569 K CA 1.927 58.081 56.287 -0.222 0.000 0.933 569 K CB -0.177 32.245 32.500 -0.131 0.000 0.721 569 K HN 0.410 nan 8.250 nan 0.000 0.447 570 N N 0.811 119.290 118.700 -0.369 0.000 2.238 570 N HA 0.070 4.810 4.740 0.000 0.000 0.235 570 N C -0.629 174.749 175.510 -0.219 0.000 1.209 570 N CA -0.314 52.606 53.050 -0.216 0.000 0.879 570 N CB 0.572 39.031 38.487 -0.047 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 -0.388 0.000 2.453 571 L HA 0.201 4.541 4.340 0.000 0.000 0.272 571 L C -0.201 176.624 176.870 -0.075 0.000 1.182 571 L CA -0.223 54.505 54.840 -0.187 0.000 0.858 571 L CB 0.512 42.411 42.059 -0.265 0.000 1.120 571 L HN -0.022 nan 8.230 nan 0.000 0.474 572 L N 5.878 127.116 121.223 0.025 0.000 2.259 572 L HA 0.422 4.762 4.340 0.000 0.000 0.288 572 L C -0.836 176.006 176.870 -0.046 0.000 1.051 572 L CA 0.088 54.920 54.840 -0.013 0.000 0.824 572 L CB 0.605 42.681 42.059 0.027 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 -0.110 0.000 2.290 573 L HA 0.390 4.730 4.340 0.000 0.000 0.284 573 L C -0.056 176.800 176.870 -0.023 0.000 1.078 573 L CA 0.226 54.970 54.840 -0.160 0.000 0.815 573 L CB 1.000 42.853 42.059 -0.343 0.000 1.162 573 L HN 0.557 nan 8.230 nan 0.000 0.435 574 L N 4.536 125.784 121.223 0.042 0.000 2.469 574 L HA 0.453 4.793 4.340 0.000 0.000 0.253 574 L C -2.007 175.000 176.870 0.228 0.000 1.143 574 L CA -2.106 52.806 54.840 0.120 0.000 0.804 574 L CB 0.103 42.217 42.059 0.092 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 -0.173 177.215 177.300 0.146 0.000 1.187 575 P CA 0.480 63.678 63.100 0.164 0.000 0.766 575 P CB 0.514 32.266 31.700 0.086 0.000 0.820 576 G N 0.633 109.475 108.800 0.069 0.000 2.368 576 G HA2 0.241 4.201 3.960 0.000 0.000 0.302 576 G HA3 0.241 4.201 3.960 0.000 0.000 0.302 576 G C -1.451 173.237 174.900 -0.353 0.000 1.329 576 G CA -0.608 44.373 45.100 -0.199 0.000 0.935 576 G HN 0.340 nan 8.290 nan 0.000 0.590 577 S N -0.228 115.148 115.700 -0.540 0.000 2.454 577 S HA 0.804 5.274 4.470 0.000 0.000 0.306 577 S C -1.299 172.943 174.600 -0.597 0.000 1.100 577 S CA -0.345 57.635 58.200 -0.366 0.000 1.087 577 S CB 0.831 63.939 63.200 -0.153 0.000 1.019 577 S HN 0.491 nan 8.310 nan 0.000 0.480 578 Y N 0.340 120.643 120.300 0.005 0.000 2.499 578 Y HA 0.499 5.049 4.550 0.000 0.000 0.347 578 Y C 0.630 176.561 175.900 0.052 0.000 0.987 578 Y CA -0.999 57.111 58.100 0.017 0.000 1.044 578 Y CB 1.457 39.908 38.460 -0.015 0.000 1.245 578 Y HN 0.442 nan 8.280 nan 0.000 0.461 579 T N 2.654 117.347 114.554 0.233 0.000 2.743 579 T HA 0.295 4.645 4.350 0.000 0.000 0.293 579 T C -1.511 173.393 174.700 0.340 0.000 0.945 579 T CA -0.200 62.033 62.100 0.222 0.000 1.030 579 T CB -0.292 68.664 68.868 0.146 0.000 0.912 579 T HN 0.635 nan 8.240 nan 0.000 0.483 580 Y N 4.439 124.870 120.300 0.217 0.000 2.345 580 Y HA 0.499 5.049 4.550 0.000 0.000 0.331 580 Y C -0.202 175.939 175.900 0.401 0.000 0.959 580 Y CA -0.898 57.371 58.100 0.282 0.000 1.204 580 Y CB 0.805 39.396 38.460 0.219 0.000 1.135 580 Y HN 0.690 nan 8.280 nan 0.000 0.477 581 E N 6.690 127.111 120.200 0.368 0.000 2.293 581 E HA 0.251 4.601 4.350 0.000 0.000 0.270 581 E C -1.989 174.691 176.600 0.134 0.000 0.879 581 E CA -0.607 55.913 56.400 0.200 0.000 0.756 581 E CB 1.855 31.599 29.700 0.074 0.000 1.208 581 E HN 0.724 nan 8.360 nan 0.000 0.428 582 W N 2.660 123.865 121.300 -0.159 0.000 3.118 582 W HA 0.399 5.059 4.660 0.000 0.000 0.328 582 W C -1.197 175.127 176.519 -0.325 0.000 1.239 582 W CA -0.622 56.522 57.345 -0.335 0.000 1.176 582 W CB 2.210 31.313 29.460 -0.595 0.000 1.433 582 W HN 0.526 nan 8.180 nan 0.000 0.562 583 N N 2.036 120.497 118.700 -0.398 0.000 2.361 583 N HA 0.503 5.243 4.740 0.000 0.000 0.302 583 N C -1.536 173.917 175.510 -0.094 0.000 1.074 583 N CA -0.245 52.733 53.050 -0.121 0.000 0.850 583 N CB 1.785 40.136 38.487 -0.225 0.000 1.228 583 N HN 0.041 nan 8.380 nan 0.000 0.491 584 F N 0.503 120.639 119.950 0.309 0.000 2.532 584 F HA 0.471 4.998 4.527 0.000 0.000 0.321 584 F C 0.983 177.004 175.800 0.369 0.000 1.089 584 F CA -0.873 57.259 58.000 0.220 0.000 0.926 584 F CB 1.462 40.428 39.000 -0.057 0.000 1.168 584 F HN 0.037 nan 8.300 nan 0.000 0.459 585 R N 1.591 122.284 120.500 0.323 0.000 2.531 585 R HA 0.368 4.708 4.340 0.000 0.000 0.273 585 R C 0.354 176.937 176.300 0.473 0.000 1.070 585 R CA -0.503 55.769 56.100 0.288 0.000 1.112 585 R CB 1.153 31.428 30.300 -0.042 0.000 1.049 585 R HN 0.701 nan 8.270 nan 0.000 0.508 586 K N 0.433 121.080 120.400 0.411 0.000 2.402 586 K HA 0.020 4.340 4.320 0.000 0.000 0.203 586 K C -0.336 176.391 176.600 0.212 0.000 1.077 586 K CA -0.106 56.347 56.287 0.275 0.000 1.051 586 K CB 0.513 33.151 32.500 0.230 0.000 0.907 586 K HN 0.475 nan 8.250 nan 0.000 0.554 587 D N 2.097 122.665 120.400 0.279 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 54.082 54.000 0.270 0.000 0.907 587 D CB 1.222 42.202 40.800 0.301 0.000 1.107 587 D HN -0.046 nan 8.370 nan 0.000 0.495 588 V N 2.303 122.286 119.914 0.115 0.000 2.568 588 V HA -0.211 3.909 4.120 0.000 0.000 0.253 588 V C 1.585 177.707 176.094 0.048 0.000 1.072 588 V CA 1.356 63.684 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 -0.302 118.452 118.700 0.090 0.000 2.459 589 N HA 0.064 4.804 4.740 0.000 0.000 0.181 589 N C 1.527 177.170 175.510 0.222 0.000 1.046 589 N CA 1.296 54.406 53.050 0.101 0.000 0.904 589 N CB -0.033 38.513 38.487 0.099 0.000 0.964 589 N HN 0.457 nan 8.380 nan 0.000 0.444 590 M N -0.624 119.088 119.600 0.187 0.000 2.718 590 M HA 0.096 4.576 4.480 0.000 0.000 0.259 590 M C 2.055 178.442 176.300 0.145 0.000 1.240 590 M CA 0.646 56.040 55.300 0.157 0.000 1.210 590 M CB -0.816 31.830 32.600 0.077 0.000 1.281 590 M HN 0.005 nan 8.290 nan 0.000 0.515 591 V N -1.495 118.513 119.914 0.157 0.000 2.951 591 V HA 0.159 4.279 4.120 0.000 0.000 0.255 591 V C 1.048 177.254 176.094 0.187 0.000 1.088 591 V CA 0.456 62.894 62.300 0.231 0.000 1.109 591 V CB -0.499 31.508 31.823 0.308 0.000 0.724 591 V HN 0.188 nan 8.190 nan 0.000 0.471 592 L N 0.852 122.100 121.223 0.042 0.000 2.334 592 L HA 0.641 4.981 4.340 0.000 0.000 0.270 592 L C -0.377 176.470 176.870 -0.038 0.000 1.018 592 L CA -0.394 54.397 54.840 -0.081 0.000 0.811 592 L CB 1.778 43.727 42.059 -0.183 0.000 1.271 592 L HN 0.268 nan 8.230 nan 0.000 0.443 593 Q N 1.062 120.827 119.800 -0.058 0.000 2.331 593 Q HA 0.525 4.865 4.340 0.000 0.000 0.272 593 Q C -1.476 174.508 176.000 -0.027 0.000 1.062 593 Q CA -0.539 55.243 55.803 -0.035 0.000 0.806 593 Q CB 2.586 31.332 28.738 0.012 0.000 1.312 593 Q HN 0.771 nan 8.270 nan 0.000 0.431 594 S N 0.596 116.275 115.700 -0.036 0.000 2.600 594 S HA 0.403 4.873 4.470 0.000 0.000 0.300 594 S C 0.564 175.203 174.600 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 0.971 116.761 115.700 0.150 0.000 2.436 595 S HA 0.011 4.481 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 0.246 58.568 58.200 0.204 0.000 0.950 595 S CB -0.540 62.853 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 1.935 178.841 176.870 0.059 0.000 1.108 596 L CA 1.163 56.058 54.840 0.092 0.000 0.830 596 L CB -1.283 40.817 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 0.390 175.212 174.900 -0.130 0.000 0.991 597 G CA 0.462 45.456 45.100 -0.176 0.000 0.689 597 G HN 0.553 nan 8.290 nan 0.000 0.522 598 N N 0.503 119.178 118.700 -0.042 0.000 2.371 598 N HA 0.240 4.980 4.740 0.000 0.000 0.243 598 N C -0.382 175.090 175.510 -0.063 0.000 1.287 598 N CA -0.051 52.992 53.050 -0.011 0.000 0.911 598 N CB 0.609 39.131 38.487 0.059 0.000 1.142 598 N HN 0.116 nan 8.380 nan 0.000 0.451 599 D N 0.582 120.957 120.400 -0.041 0.000 2.348 599 D HA 0.070 4.710 4.640 0.000 0.000 0.259 599 D C 1.036 177.310 176.300 -0.042 0.000 1.296 599 D CA -0.207 53.758 54.000 -0.058 0.000 0.931 599 D CB 0.021 40.800 40.800 -0.036 0.000 1.067 599 D HN 0.481 nan 8.370 nan 0.000 0.503 600 L N 3.732 124.920 121.223 -0.059 0.000 2.362 600 L HA -0.066 4.274 4.340 0.000 0.000 0.219 600 L C 2.404 179.262 176.870 -0.021 0.000 1.134 600 L CA 0.448 55.259 54.840 -0.048 0.000 0.807 600 L CB -0.114 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 -0.615 119.884 120.500 -0.001 0.000 2.090 601 R HA -0.058 4.282 4.340 0.000 0.000 0.228 601 R C 2.176 178.490 176.300 0.023 0.000 1.110 601 R CA 0.975 57.094 56.100 0.031 0.000 0.973 601 R CB -0.451 29.888 30.300 0.064 0.000 0.869 601 R HN 0.203 nan 8.270 nan 0.000 0.440 602 V N 1.559 121.481 119.914 0.012 0.000 2.535 602 V HA -0.108 4.012 4.120 0.000 0.000 0.246 602 V C 0.805 176.903 176.094 0.007 0.000 1.045 602 V CA 1.459 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 0.513 120.911 120.400 -0.003 0.000 2.519 603 D HA 0.229 4.869 4.640 0.000 0.000 0.238 603 D C 1.614 177.895 176.300 -0.030 0.000 1.192 603 D CA 0.875 54.867 54.000 -0.012 0.000 0.835 603 D CB -0.087 40.704 40.800 -0.015 0.000 0.975 603 D HN 0.457 nan 8.370 nan 0.000 0.490 604 G N 0.608 109.398 108.800 -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 0.644 175.524 174.900 -0.033 0.000 0.986 604 G CA 0.304 45.394 45.100 -0.018 0.000 0.683 604 G HN 0.617 nan 8.290 nan 0.000 0.527 605 A N -0.382 122.408 122.820 -0.049 0.000 2.462 605 A HA 0.715 5.035 4.320 0.000 0.000 0.243 605 A C 0.654 178.209 177.584 -0.048 0.000 1.076 605 A CA 1.089 53.081 52.037 -0.074 0.000 0.773 605 A CB 0.539 19.483 19.000 -0.094 0.000 1.010 605 A HN 1.328 nan 8.150 nan 0.000 0.493 606 S N 0.724 116.391 115.700 -0.055 0.000 2.546 606 S HA 0.716 5.186 4.470 0.000 0.000 0.274 606 S C -0.826 173.745 174.600 -0.048 0.000 1.121 606 S CA -0.415 57.765 58.200 -0.034 0.000 0.887 606 S CB 1.496 64.694 63.200 -0.004 0.000 1.094 606 S HN 0.864 nan 8.310 nan 0.000 0.474 607 I N 1.533 122.062 120.570 -0.067 0.000 2.722 607 I HA 0.603 4.773 4.170 0.000 0.000 0.295 607 I C -1.719 174.281 176.117 -0.195 0.000 1.161 607 I CA -0.519 60.722 61.300 -0.098 0.000 1.032 607 I CB 1.900 39.804 38.000 -0.161 0.000 1.244 607 I HN 0.660 nan 8.210 nan 0.000 0.421 608 K N 6.666 126.964 120.400 -0.170 0.000 2.468 608 K HA 0.492 4.812 4.320 0.000 0.000 0.252 608 K C -1.989 174.469 176.600 -0.236 0.000 0.932 608 K CA -0.516 55.635 56.287 -0.226 0.000 0.794 608 K CB 1.576 34.025 32.500 -0.086 0.000 1.241 608 K HN 0.490 nan 8.250 nan 0.000 0.428 609 F N 3.785 123.677 119.950 -0.097 0.000 2.371 609 F HA 0.165 4.692 4.527 0.000 0.000 0.363 609 F C 0.943 176.572 175.800 -0.285 0.000 1.122 609 F CA -0.739 57.086 58.000 -0.291 0.000 1.129 609 F CB 1.256 39.819 39.000 -0.727 0.000 1.173 609 F HN 0.635 nan 8.300 nan 0.000 0.489 610 D N 0.991 121.359 120.400 -0.053 0.000 2.149 610 D HA -0.042 4.598 4.640 0.000 0.000 0.206 610 D C 0.740 177.025 176.300 -0.026 0.000 0.967 610 D CA 1.147 55.117 54.000 -0.051 0.000 0.848 610 D CB 0.297 41.038 40.800 -0.098 0.000 0.998 610 D HN 0.443 nan 8.370 nan 0.000 0.474 611 S N -0.655 115.005 115.700 -0.067 0.000 2.537 611 S HA 0.597 5.067 4.470 0.000 0.000 0.270 611 S C -1.023 173.550 174.600 -0.045 0.000 1.142 611 S CA -0.984 57.206 58.200 -0.016 0.000 0.870 611 S CB 2.184 65.379 63.200 -0.008 0.000 1.112 611 S HN 0.120 nan 8.310 nan 0.000 0.466 612 I N 1.824 122.419 120.570 0.042 0.000 2.534 612 I HA 0.700 4.870 4.170 0.000 0.000 0.288 612 I C -1.312 174.934 176.117 0.215 0.000 1.077 612 I CA -0.365 60.959 61.300 0.040 0.000 1.051 612 I CB 1.127 39.066 38.000 -0.102 0.000 1.234 612 I HN 0.966 nan 8.210 nan 0.000 0.425 613 C N 5.947 125.355 119.300 0.180 0.000 2.771 613 C HA 0.710 5.170 4.460 0.000 0.000 0.333 613 C C -0.669 174.352 174.990 0.052 0.000 1.267 613 C CA -0.641 58.462 59.018 0.141 0.000 1.721 613 C CB 1.767 29.574 27.740 0.112 0.000 2.222 613 C HN 0.668 nan 8.230 nan 0.000 0.485 614 L N 1.637 122.788 121.223 -0.121 0.000 2.333 614 L HA 0.622 4.962 4.340 0.000 0.000 0.280 614 L C -1.477 175.318 176.870 -0.124 0.000 1.004 614 L CA -0.039 54.725 54.840 -0.126 0.000 0.820 614 L CB 0.456 42.364 42.059 -0.251 0.000 1.247 614 L HN 0.665 nan 8.230 nan 0.000 0.416 615 Y N 3.577 123.716 120.300 -0.270 0.000 2.446 615 Y HA 0.829 5.379 4.550 0.000 0.000 0.338 615 Y C 0.134 175.865 175.900 -0.282 0.000 1.055 615 Y CA -0.327 57.577 58.100 -0.327 0.000 1.101 615 Y CB 2.298 40.342 38.460 -0.693 0.000 1.221 615 Y HN 0.777 nan 8.280 nan 0.000 0.460 616 A N 1.589 124.466 122.820 0.096 0.000 2.459 616 A HA 0.732 5.052 4.320 0.000 0.000 0.296 616 A C -1.134 176.515 177.584 0.108 0.000 1.039 616 A CA -0.694 51.367 52.037 0.039 0.000 0.698 616 A CB 1.114 20.190 19.000 0.127 0.000 1.261 616 A HN 0.586 nan 8.150 nan 0.000 0.405 617 T N 2.067 116.611 114.554 -0.017 0.000 2.823 617 T HA 0.676 5.026 4.350 0.000 0.000 0.279 617 T C -1.058 173.649 174.700 0.011 0.000 0.998 617 T CA 0.081 62.258 62.100 0.129 0.000 0.994 617 T CB 0.328 69.280 68.868 0.141 0.000 0.960 617 T HN 0.331 nan 8.240 nan 0.000 0.448 618 F N 1.931 121.953 119.950 0.120 0.000 2.482 618 F HA 0.507 5.034 4.527 0.000 0.000 0.331 618 F C 0.039 175.936 175.800 0.162 0.000 1.115 618 F CA -1.850 56.237 58.000 0.145 0.000 0.955 618 F CB 0.911 39.990 39.000 0.131 0.000 1.136 618 F HN 0.531 nan 8.300 nan 0.000 0.452 619 F N 6.327 126.409 119.950 0.219 0.000 2.578 619 F HA 0.243 4.770 4.527 0.000 0.000 0.376 619 F C -1.600 174.304 175.800 0.174 0.000 1.085 619 F CA -1.878 56.213 58.000 0.153 0.000 1.260 619 F CB 0.704 39.770 39.000 0.110 0.000 1.095 619 F HN 0.241 nan 8.300 nan 0.000 0.573 620 P HA 0.003 nan 4.420 nan 0.000 0.225 620 P C -0.264 177.042 177.300 0.011 0.000 1.768 620 P CA 0.005 63.055 63.100 -0.083 0.000 0.943 620 P CB -0.126 31.466 31.700 -0.179 0.000 1.936 621 M N 1.512 121.323 119.600 0.352 0.000 2.249 621 M HA 0.244 4.724 4.480 0.000 0.000 0.340 621 M C 0.308 176.768 176.300 0.267 0.000 1.166 621 M CA -0.115 55.460 55.300 0.458 0.000 1.115 621 M CB 0.639 33.525 32.600 0.476 0.000 1.606 621 M HN 0.162 nan 8.290 nan 0.000 0.448 622 A N 3.690 126.630 122.820 0.200 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 0.211 0.000 1.061 622 A CA -0.144 51.957 52.037 0.106 0.000 0.758 622 A CB -0.069 18.989 19.000 0.096 0.000 0.991 622 A HN 1.013 nan 8.150 nan 0.000 0.502 623 H N 2.315 121.431 119.070 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 0.063 0.000 1.098 623 H CA 2.023 58.111 56.048 0.067 0.000 1.315 623 H CB -0.108 29.684 29.762 0.051 0.000 1.382 623 H HN 0.894 nan 8.280 nan 0.000 0.523 624 N N 0.253 119.064 118.700 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 0.106 0.000 1.018 624 N CA 1.598 54.721 53.050 0.122 0.000 0.858 624 N CB -0.786 37.761 38.487 0.099 0.000 0.989 624 N HN 0.203 nan 8.380 nan 0.000 0.426 625 T N 1.221 115.843 114.554 0.114 0.000 2.737 625 T HA 0.096 4.446 4.350 0.000 0.000 0.265 625 T C 2.203 176.959 174.700 0.093 0.000 1.038 625 T CA 1.586 63.742 62.100 0.094 0.000 1.144 625 T CB -0.490 68.435 68.868 0.096 0.000 0.866 625 T HN 0.487 nan 8.240 nan 0.000 0.434 626 A N 1.311 124.208 122.820 0.128 0.000 1.908 626 A HA -0.124 4.196 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 2.196 54.304 52.037 0.118 0.000 0.627 626 A CB -1.153 17.943 19.000 0.161 0.000 0.818 626 A HN 0.458 nan 8.150 nan 0.000 0.445 627 S N -1.135 114.612 115.700 0.079 0.000 2.370 627 S HA -0.156 4.314 4.470 0.000 0.000 0.226 627 S C 2.043 176.672 174.600 0.048 0.000 1.033 627 S CA 2.306 60.539 58.200 0.055 0.000 1.011 627 S CB -0.607 62.627 63.200 0.056 0.000 0.852 627 S HN 0.608 nan 8.310 nan 0.000 0.457 628 T N 2.362 116.947 114.554 0.052 0.000 2.812 628 T HA 0.011 4.361 4.350 0.000 0.000 0.264 628 T C 1.682 176.402 174.700 0.033 0.000 1.042 628 T CA 1.291 63.415 62.100 0.041 0.000 1.140 628 T CB -0.449 68.444 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 0.036 0.000 2.083 629 L HA -0.025 4.315 4.340 0.000 0.000 0.209 629 L C 2.418 179.303 176.870 0.025 0.000 1.083 629 L CA 1.921 56.776 54.840 0.026 0.000 0.752 629 L CB -0.609 41.465 42.059 0.025 0.000 0.899 629 L HN 0.321 nan 8.230 nan 0.000 0.433 630 E N -0.370 119.850 120.200 0.033 0.000 2.077 630 E HA -0.242 4.108 4.350 0.000 0.000 0.193 630 E C 2.074 178.684 176.600 0.017 0.000 0.989 630 E CA 1.220 57.637 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 1.089 123.920 122.820 0.018 0.000 1.902 631 A HA -0.189 4.131 4.320 0.000 0.000 0.217 631 A C 2.265 179.853 177.584 0.007 0.000 1.181 631 A CA 1.856 53.900 52.037 0.011 0.000 0.623 631 A CB -0.545 18.466 19.000 0.018 0.000 0.818 631 A HN 0.351 nan 8.150 nan 0.000 0.443 632 M N -0.693 118.913 119.600 0.010 0.000 2.132 632 M HA -0.052 4.428 4.480 0.000 0.000 0.263 632 M C 1.828 178.132 176.300 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 -0.653 120.573 121.223 0.006 0.000 2.551 633 L HA -0.087 4.253 4.340 0.000 0.000 0.228 633 L C 2.157 179.025 176.870 -0.003 0.000 1.153 633 L CA 0.500 55.343 54.840 0.005 0.000 0.851 633 L CB -0.466 41.598 42.059 0.009 0.000 0.959 633 L HN 0.264 nan 8.230 nan 0.000 0.451 634 R N -0.407 120.081 120.500 -0.019 0.000 2.297 634 R HA 0.088 4.428 4.340 0.000 0.000 0.197 634 R C 0.108 176.388 176.300 -0.034 0.000 0.943 634 R CA -0.076 55.985 56.100 -0.066 0.000 1.038 634 R CB 0.083 30.327 30.300 -0.093 0.000 0.957 634 R HN 0.375 nan 8.270 nan 0.000 0.484 635 N N 1.699 120.410 118.700 0.019 0.000 2.514 635 N HA -0.026 4.714 4.740 0.000 0.000 0.277 635 N C 0.076 175.654 175.510 0.113 0.000 1.126 635 N CA 0.115 53.200 53.050 0.059 0.000 0.978 635 N CB 1.377 39.882 38.487 0.030 0.000 1.106 635 N HN 0.121 nan 8.380 nan 0.000 0.461 636 D N -0.152 120.339 120.400 0.151 0.000 2.221 636 D HA -0.185 4.455 4.640 0.000 0.000 0.204 636 D C 1.539 177.840 176.300 0.002 0.000 0.982 636 D CA 1.155 55.187 54.000 0.053 0.000 0.857 636 D CB -0.228 40.463 40.800 -0.182 0.000 0.934 636 D HN 0.510 nan 8.370 nan 0.000 0.475 637 T N -0.626 113.930 114.554 0.003 0.000 2.833 637 T HA -0.149 4.201 4.350 0.000 0.000 0.269 637 T C 1.100 175.794 174.700 -0.010 0.000 1.054 637 T CA 0.986 63.079 62.100 -0.011 0.000 1.135 637 T CB -0.392 68.472 68.868 -0.008 0.000 0.869 637 T HN 0.099 nan 8.240 nan 0.000 0.466 638 N N 1.887 120.591 118.700 0.007 0.000 2.320 638 N HA 0.115 4.855 4.740 0.000 0.000 0.237 638 N C -0.888 174.625 175.510 0.005 0.000 1.129 638 N CA -0.142 52.907 53.050 -0.002 0.000 0.854 638 N CB 0.250 38.737 38.487 0.001 0.000 1.083 638 N HN 0.478 nan 8.380 nan 0.000 0.504 639 D N 1.485 121.894 120.400 0.016 0.000 2.423 639 D HA 0.045 4.685 4.640 0.000 0.000 0.238 639 D C 0.744 177.019 176.300 -0.042 0.000 1.142 639 D CA 0.610 54.628 54.000 0.029 0.000 0.884 639 D CB 1.179 41.998 40.800 0.031 0.000 1.199 639 D HN 0.118 nan 8.370 nan 0.000 0.438 640 Q N 0.156 119.927 119.800 -0.048 0.000 2.312 640 Q HA 0.514 4.854 4.340 0.000 0.000 0.236 640 Q C -0.337 175.486 176.000 -0.295 0.000 0.965 640 Q CA -0.458 55.232 55.803 -0.187 0.000 0.894 640 Q CB 1.229 29.924 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 0.759 5.229 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 -0.849 57.047 58.200 -0.506 0.000 0.891 641 S CB 0.788 63.850 63.200 -0.231 0.000 1.105 641 S HN 0.411 nan 8.310 nan 0.000 0.468 642 F N 1.414 121.402 119.950 0.064 0.000 2.613 642 F HA 0.659 5.186 4.527 0.000 0.000 0.314 642 F C -0.147 175.779 175.800 0.211 0.000 1.075 642 F CA -0.777 57.301 58.000 0.130 0.000 0.945 642 F CB 1.910 41.000 39.000 0.150 0.000 1.310 642 F HN 0.830 nan 8.300 nan 0.000 0.467 643 N N -0.145 118.741 118.700 0.310 0.000 2.229 643 N HA 0.268 5.008 4.740 0.000 0.000 0.298 643 N C -1.865 173.523 175.510 -0.204 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 0.631 nan 8.380 nan 0.000 0.474 644 D N 0.246 120.146 120.400 -0.833 0.000 2.424 644 D HA -0.013 4.627 4.640 0.000 0.000 0.244 644 D C 0.902 177.048 176.300 -0.256 0.000 1.134 644 D CA -0.111 53.475 54.000 -0.690 0.000 0.881 644 D CB 0.564 40.783 40.800 -0.968 0.000 1.191 644 D HN 0.500 nan 8.370 nan 0.000 0.445 645 Y N 3.623 123.815 120.300 -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 59.456 58.100 -0.133 0.000 1.148 645 Y CB -0.255 38.151 38.460 -0.090 0.000 0.981 645 Y HN 0.530 nan 8.280 nan 0.000 0.507 646 L N 0.527 121.717 121.223 -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 1.750 56.512 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 -0.052 115.490 115.700 -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 0.557 123.298 122.820 -0.131 0.000 2.612 648 A HA 0.867 5.187 4.320 0.000 0.000 0.293 648 A C -0.519 177.060 177.584 -0.007 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 1.503 nan 8.150 nan 0.000 0.411 649 A N 1.616 124.427 122.820 -0.015 0.000 2.274 649 A HA 0.637 4.957 4.320 0.000 0.000 0.309 649 A C -0.390 177.271 177.584 0.128 0.000 1.226 649 A CA -0.632 51.397 52.037 -0.012 0.000 0.853 649 A CB 0.100 18.930 19.000 -0.284 0.000 1.146 649 A HN 0.670 nan 8.150 nan 0.000 0.518 650 N N 3.280 122.101 118.700 0.202 0.000 2.425 650 N HA 0.425 5.165 4.740 0.000 0.000 0.268 650 N C -0.913 174.784 175.510 0.312 0.000 0.991 650 N CA -0.228 53.040 53.050 0.364 0.000 0.931 650 N CB 1.411 40.156 38.487 0.429 0.000 1.130 650 N HN 0.531 nan 8.380 nan 0.000 0.493 651 M N 2.498 122.336 119.600 0.396 0.000 2.456 651 M HA 0.508 4.988 4.480 0.000 0.000 0.324 651 M C -0.544 175.836 176.300 0.133 0.000 1.124 651 M CA -0.548 54.873 55.300 0.201 0.000 0.959 651 M CB 1.788 34.614 32.600 0.378 0.000 1.692 651 M HN 0.249 nan 8.290 nan 0.000 0.444 652 L N 3.053 124.149 121.223 -0.210 0.000 2.376 652 L HA 0.534 4.874 4.340 0.000 0.000 0.275 652 L C -1.596 175.044 176.870 -0.383 0.000 0.987 652 L CA -0.645 54.104 54.840 -0.152 0.000 0.828 652 L CB 1.659 43.617 42.059 -0.169 0.000 1.249 652 L HN 0.563 nan 8.230 nan 0.000 0.409 653 Y N 3.441 123.776 120.300 0.059 0.000 2.341 653 Y HA 0.428 4.978 4.550 0.000 0.000 0.338 653 Y C -2.118 173.785 175.900 0.006 0.000 0.965 653 Y CA -2.664 55.457 58.100 0.036 0.000 1.108 653 Y CB 1.565 40.048 38.460 0.038 0.000 1.180 653 Y HN 0.354 nan 8.280 nan 0.000 0.458 654 P HA 0.204 nan 4.420 nan 0.000 0.271 654 P C -0.561 176.772 177.300 0.054 0.000 1.216 654 P CA 0.222 63.356 63.100 0.057 0.000 0.771 654 P CB 1.411 33.129 31.700 0.030 0.000 0.864 655 I N 4.733 125.315 120.570 0.020 0.000 2.437 655 I HA 0.257 4.427 4.170 0.000 0.000 0.279 655 I C -2.277 173.834 176.117 -0.010 0.000 1.028 655 I CA -2.775 58.524 61.300 -0.001 0.000 1.142 655 I CB 1.643 39.624 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 -0.069 177.223 177.300 -0.014 0.000 1.201 656 P CA -0.124 62.971 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 2.878 125.690 122.820 -0.013 0.000 2.567 657 A HA -0.020 4.300 4.320 0.000 0.000 0.240 657 A C 0.913 178.491 177.584 -0.010 0.000 1.053 657 A CA 0.797 52.827 52.037 -0.012 0.000 0.755 657 A CB -1.381 17.614 19.000 -0.008 0.000 0.978 657 A HN 0.829 nan 8.150 nan 0.000 0.507 658 N N -0.835 117.858 118.700 -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 0.538 53.582 53.050 -0.010 0.000 0.950 658 N CB -1.510 36.976 38.487 -0.002 0.000 1.102 658 N HN 1.220 nan 8.380 nan 0.000 0.593 659 A N 0.083 122.892 122.820 -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 0.495 19.486 19.000 -0.015 0.000 1.008 659 A HN 0.231 nan 8.150 nan 0.000 0.497 660 T N 0.623 115.163 114.554 -0.023 0.000 2.964 660 T HA 0.122 4.472 4.350 0.000 0.000 0.249 660 T C 0.539 175.225 174.700 -0.022 0.000 1.000 660 T CA 0.360 62.443 62.100 -0.029 0.000 0.992 660 T CB -0.122 68.733 68.868 -0.022 0.000 1.087 660 T HN 0.712 nan 8.240 nan 0.000 0.489 661 N N 1.168 119.862 118.700 -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 -0.264 52.786 53.050 0.000 0.000 0.892 661 N CB 1.482 39.968 38.487 -0.003 0.000 1.193 661 N HN -0.156 nan 8.380 nan 0.000 0.487 662 V N 5.677 125.613 119.914 0.037 0.000 2.340 662 V HA 0.471 4.591 4.120 0.000 0.000 0.277 662 V C -2.282 173.854 176.094 0.070 0.000 1.017 662 V CA -1.217 61.110 62.300 0.044 0.000 0.820 662 V CB 1.233 33.072 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 -0.791 176.499 177.300 -0.017 0.000 1.326 663 P CA -0.391 62.717 63.100 0.013 0.000 0.844 663 P CB 2.196 33.899 31.700 0.006 0.000 0.992 664 I N -0.773 119.769 120.570 -0.047 0.000 2.740 664 I HA 0.761 4.931 4.170 0.000 0.000 0.303 664 I C -0.916 175.195 176.117 -0.010 0.000 1.044 664 I CA -0.962 60.266 61.300 -0.120 0.000 1.064 664 I CB 2.546 40.280 38.000 -0.444 0.000 1.249 664 I HN 0.175 nan 8.210 nan 0.000 0.433 665 S N 5.450 121.182 115.700 0.054 0.000 2.614 665 S HA 0.640 5.110 4.470 0.000 0.000 0.288 665 S C -0.927 173.760 174.600 0.145 0.000 1.137 665 S CA -0.647 57.607 58.200 0.090 0.000 0.992 665 S CB 1.242 64.485 63.200 0.071 0.000 1.026 665 S HN 0.498 nan 8.310 nan 0.000 0.486 666 I N 6.716 127.388 120.570 0.170 0.000 2.330 666 I HA 0.387 4.557 4.170 0.000 0.000 0.289 666 I C -2.050 174.154 176.117 0.146 0.000 1.001 666 I CA -2.615 58.794 61.300 0.183 0.000 1.193 666 I CB 1.012 39.189 38.000 0.295 0.000 1.345 666 I HN 0.446 nan 8.210 nan 0.000 0.461 667 P HA -0.020 nan 4.420 nan 0.000 0.269 667 P C 0.187 177.525 177.300 0.063 0.000 1.209 667 P CA -0.090 63.047 63.100 0.061 0.000 0.776 667 P CB 0.666 32.381 31.700 0.026 0.000 0.876 668 S N 2.399 118.151 115.700 0.087 0.000 3.116 668 S HA -0.061 4.409 4.470 0.000 0.000 0.367 668 S C 0.468 175.084 174.600 0.026 0.000 1.202 668 S CA 0.353 58.620 58.200 0.110 0.000 1.018 668 S CB -0.589 62.649 63.200 0.063 0.000 0.726 668 S HN 0.727 nan 8.310 nan 0.000 0.506 669 R N 3.005 123.526 120.500 0.035 0.000 2.844 669 R HA 0.524 4.864 4.340 0.000 0.000 0.264 669 R C -1.199 174.975 176.300 -0.209 0.000 1.077 669 R CA -1.079 54.893 56.100 -0.214 0.000 0.953 669 R CB 0.295 30.262 30.300 -0.556 0.000 1.272 669 R HN 0.508 nan 8.270 nan 0.000 0.447 670 N N -0.559 117.936 118.700 -0.342 0.000 2.499 670 N HA 0.249 4.989 4.740 0.000 0.000 0.281 670 N C -1.016 174.248 175.510 -0.411 0.000 1.098 670 N CA -0.541 52.399 53.050 -0.184 0.000 0.979 670 N CB 0.644 39.065 38.487 -0.110 0.000 1.121 670 N HN 0.561 nan 8.380 nan 0.000 0.466 671 W N 2.330 123.656 121.300 0.042 0.000 2.862 671 W HA 0.488 5.148 4.660 0.000 0.000 0.376 671 W C 0.537 177.110 176.519 0.090 0.000 1.028 671 W CA -0.535 56.818 57.345 0.013 0.000 1.757 671 W CB -0.241 29.224 29.460 0.008 0.000 1.128 671 W HN 0.499 nan 8.180 nan 0.000 0.566 672 A N 1.064 124.038 122.820 0.257 0.000 2.565 672 A HA 0.368 4.688 4.320 0.000 0.000 0.237 672 A C 1.569 179.267 177.584 0.191 0.000 1.053 672 A CA 1.263 53.424 52.037 0.207 0.000 0.755 672 A CB -0.081 19.004 19.000 0.142 0.000 0.980 672 A HN 1.181 nan 8.150 nan 0.000 0.506 673 A N 1.209 124.141 122.820 0.185 0.000 3.396 673 A HA -0.196 4.124 4.320 0.000 0.000 0.267 673 A C 0.390 178.168 177.584 0.325 0.000 1.139 673 A CA 0.939 53.114 52.037 0.231 0.000 1.115 673 A CB -2.596 16.512 19.000 0.181 0.000 1.133 673 A HN 2.039 nan 8.150 nan 0.000 0.920 674 F N 1.434 121.445 119.950 0.101 0.000 2.602 674 F HA 0.380 4.907 4.527 0.000 0.000 0.385 674 F C 1.307 177.094 175.800 -0.021 0.000 1.063 674 F CA 0.603 58.602 58.000 -0.002 0.000 1.233 674 F CB 0.368 39.278 39.000 -0.149 0.000 1.067 674 F HN 0.257 nan 8.300 nan 0.000 0.564 675 R N 3.156 123.246 120.500 -0.684 0.000 2.189 675 R HA 0.412 4.752 4.340 0.000 0.000 0.203 675 R C 0.778 176.587 176.300 -0.819 0.000 1.012 675 R CA 0.315 56.065 56.100 -0.585 0.000 1.015 675 R CB 0.051 30.065 30.300 -0.476 0.000 0.938 675 R HN 0.915 nan 8.270 nan 0.000 0.472 676 G N -0.701 107.085 108.800 -1.689 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 -1.838 172.544 174.900 -0.863 0.000 1.312 676 G CA -0.976 43.401 45.100 -1.206 0.000 0.942 676 G HN 0.025 nan 8.290 nan 0.000 0.495 677 W N -0.044 121.165 121.300 -0.153 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 -0.071 0.000 1.085 677 W CA -0.268 57.031 57.345 -0.077 0.000 1.198 677 W CB 2.435 31.901 29.460 0.010 0.000 1.423 677 W HN 1.284 nan 8.180 nan 0.000 0.532 678 A N 2.743 125.649 122.820 0.142 0.000 2.486 678 A HA 0.938 5.258 4.320 0.000 0.000 0.300 678 A C -1.654 175.914 177.584 -0.025 0.000 1.048 678 A CA -0.551 51.454 52.037 -0.053 0.000 0.696 678 A CB 1.670 20.546 19.000 -0.206 0.000 1.278 678 A HN 0.671 nan 8.150 nan 0.000 0.405 679 F N -0.905 118.905 119.950 -0.235 0.000 2.719 679 F HA 0.878 5.405 4.527 0.000 0.000 0.309 679 F C -0.303 175.278 175.800 -0.364 0.000 1.138 679 F CA -0.385 57.425 58.000 -0.318 0.000 0.943 679 F CB 1.140 40.024 39.000 -0.193 0.000 1.304 679 F HN 0.711 nan 8.300 nan 0.000 0.445 680 T N -0.437 114.071 114.554 -0.076 0.000 2.626 680 T HA 0.605 4.955 4.350 0.000 0.000 0.299 680 T C -1.714 173.273 174.700 0.478 0.000 1.181 680 T CA -1.191 60.927 62.100 0.030 0.000 1.053 680 T CB 1.993 70.645 68.868 -0.361 0.000 1.566 680 T HN 0.949 nan 8.240 nan 0.000 0.486 681 R N 0.119 120.850 120.500 0.384 0.000 2.575 681 R HA 0.742 5.082 4.340 0.000 0.000 0.293 681 R C -1.765 174.616 176.300 0.136 0.000 0.983 681 R CA -0.683 55.554 56.100 0.229 0.000 0.887 681 R CB 1.006 31.311 30.300 0.008 0.000 1.184 681 R HN 0.613 nan 8.270 nan 0.000 0.445 682 L N 2.676 123.979 121.223 0.133 0.000 2.323 682 L HA 0.579 4.919 4.340 0.000 0.000 0.265 682 L C -0.338 176.553 176.870 0.034 0.000 1.012 682 L CA -1.172 53.734 54.840 0.110 0.000 0.820 682 L CB 2.210 44.379 42.059 0.183 0.000 1.334 682 L HN 0.462 nan 8.230 nan 0.000 0.427 683 K N 0.026 120.443 120.400 0.027 0.000 2.201 683 K HA 0.269 4.589 4.320 0.000 0.000 0.278 683 K C 0.536 177.128 176.600 -0.013 0.000 1.027 683 K CA -0.395 55.894 56.287 0.003 0.000 0.909 683 K CB 1.755 34.265 32.500 0.016 0.000 1.062 683 K HN 0.559 nan 8.250 nan 0.000 0.465 684 T N 2.350 116.892 114.554 -0.019 0.000 2.720 684 T HA -0.159 4.191 4.350 0.000 0.000 0.268 684 T C 1.338 176.026 174.700 -0.019 0.000 1.037 684 T CA 1.416 63.504 62.100 -0.021 0.000 1.144 684 T CB 0.001 68.856 68.868 -0.021 0.000 0.864 684 T HN 0.520 nan 8.240 nan 0.000 0.444 685 K N 0.917 121.283 120.400 -0.056 0.000 2.211 685 K HA -0.089 4.231 4.320 0.000 0.000 0.204 685 K C 1.803 178.265 176.600 -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 -0.278 0.000 2.444 686 E HA 0.030 4.380 4.350 0.000 0.000 0.191 686 E C -0.521 176.134 176.600 0.092 0.000 1.041 686 E CA 0.146 56.318 56.400 -0.381 0.000 0.883 686 E CB 0.794 30.276 29.700 -0.363 0.000 1.024 686 E HN -0.006 nan 8.360 nan 0.000 0.470 687 T N 3.840 118.456 114.554 0.104 0.000 2.912 687 T HA 0.216 4.566 4.350 0.000 0.000 0.326 687 T C -2.417 172.237 174.700 -0.077 0.000 1.080 687 T CA -1.495 60.616 62.100 0.019 0.000 1.000 687 T CB 1.347 70.167 68.868 -0.080 0.000 1.008 687 T HN 0.006 nan 8.240 nan 0.000 0.473 688 P HA 0.119 nan 4.420 nan 0.000 0.269 688 P C -0.096 176.985 177.300 -0.365 0.000 1.215 688 P CA -0.284 62.415 63.100 -0.668 0.000 0.780 688 P CB 0.762 31.732 31.700 -1.216 0.000 0.898 689 S N 2.449 117.985 115.700 -0.275 0.000 2.455 689 S HA 0.285 4.755 4.470 0.000 0.000 0.278 689 S C 0.101 174.594 174.600 -0.179 0.000 1.216 689 S CA -0.612 57.477 58.200 -0.186 0.000 1.055 689 S CB -0.909 62.230 63.200 -0.101 0.000 0.939 689 S HN 0.262 nan 8.310 nan 0.000 0.494 690 L N 4.315 125.444 121.223 -0.156 0.000 2.365 690 L HA 0.700 5.040 4.340 0.000 0.000 0.267 690 L C 1.619 178.469 176.870 -0.034 0.000 1.033 690 L CA -0.129 54.665 54.840 -0.078 0.000 0.802 690 L CB 1.023 43.056 42.059 -0.043 0.000 1.267 690 L HN 0.925 nan 8.230 nan 0.000 0.457 691 G N 0.272 109.084 108.800 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 0.011 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 1.417 117.113 115.700 -0.006 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 58.941 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 0.414 109.213 108.800 -0.002 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 -0.152 174.648 174.900 -0.167 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 -0.403 119.630 120.300 -0.445 0.000 2.390 694 Y HA 0.387 4.937 4.550 0.000 0.000 0.324 694 Y C -2.002 173.745 175.900 -0.256 0.000 1.151 694 Y CA -1.443 56.388 58.100 -0.449 0.000 1.053 694 Y CB 1.949 39.913 38.460 -0.826 0.000 1.277 694 Y HN -0.050 nan 8.280 nan 0.000 0.432 695 D N 8.361 128.386 120.400 -0.627 0.000 2.443 695 D HA 0.306 4.946 4.640 0.000 0.000 0.221 695 D C -1.767 174.188 176.300 -0.575 0.000 1.097 695 D CA -2.512 51.223 54.000 -0.442 0.000 0.865 695 D CB 1.764 42.383 40.800 -0.301 0.000 1.034 695 D HN 0.362 nan 8.370 nan 0.000 0.511 696 P HA -0.152 nan 4.420 nan 0.000 0.220 696 P C 0.560 177.634 177.300 -0.377 0.000 1.148 696 P CA 1.002 63.849 63.100 -0.422 0.000 0.803 696 P CB 0.003 31.385 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 0.919 176.862 175.900 0.072 0.000 1.183 697 Y CA -0.800 57.314 58.100 0.023 0.000 1.258 697 Y CB -0.629 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 2.393 122.679 120.300 -0.023 0.000 2.595 698 Y HA 0.164 4.714 4.550 0.000 0.000 0.347 698 Y C 0.502 176.415 175.900 0.021 0.000 1.025 698 Y CA -0.706 57.390 58.100 -0.007 0.000 1.295 698 Y CB 0.465 38.876 38.460 -0.083 0.000 1.147 698 Y HN 0.086 nan 8.280 nan 0.000 0.515 699 T N 2.732 117.193 114.554 -0.156 0.000 3.327 699 T HA 0.232 4.582 4.350 0.000 0.000 0.244 699 T C -1.111 173.493 174.700 -0.162 0.000 1.074 699 T CA -0.447 61.572 62.100 -0.135 0.000 1.156 699 T CB -0.594 68.256 68.868 -0.031 0.000 1.087 699 T HN 0.528 nan 8.240 nan 0.000 0.575 700 Y N 0.977 120.915 120.300 -0.605 0.000 2.513 700 Y HA 0.553 5.103 4.550 0.000 0.000 0.340 700 Y C -0.095 175.548 175.900 -0.429 0.000 1.055 700 Y CA -0.895 56.924 58.100 -0.467 0.000 1.020 700 Y CB 2.117 40.308 38.460 -0.448 0.000 1.301 700 Y HN 0.209 nan 8.280 nan 0.000 0.453 701 S N 1.907 117.073 115.700 -0.890 0.000 2.952 701 S HA 0.468 4.938 4.470 0.000 0.000 0.251 701 S C 0.385 174.599 174.600 -0.644 0.000 1.021 701 S CA -0.012 57.837 58.200 -0.584 0.000 1.067 701 S CB -0.004 63.031 63.200 -0.276 0.000 1.002 701 S HN 0.988 nan 8.310 nan 0.000 0.574 702 G N 2.121 110.118 108.800 -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 0.099 174.976 174.900 -0.038 0.000 1.439 702 G CA -0.127 44.675 45.100 -0.496 0.000 1.056 702 G HN 0.726 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 0.379 4.849 4.470 0.000 0.000 0.276 703 S C -0.061 174.738 174.600 0.333 0.000 1.339 703 S CA -0.389 57.935 58.200 0.206 0.000 1.039 703 S CB 0.755 64.041 63.200 0.144 0.000 0.902 703 S HN 0.380 nan 8.310 nan 0.000 0.516 704 I N 3.257 123.961 120.570 0.223 0.000 2.503 704 I HA 0.277 4.447 4.170 0.000 0.000 0.277 704 I C -1.974 174.200 176.117 0.096 0.000 1.078 704 I CA -2.318 59.128 61.300 0.244 0.000 1.184 704 I CB 1.380 39.528 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 1.681 64.654 63.100 -0.212 0.000 0.872 705 P CB 0.028 31.749 31.700 0.036 0.000 0.790 706 Y N -0.207 120.084 120.300 -0.015 0.000 2.207 706 Y HA -0.195 4.355 4.550 0.000 0.000 0.287 706 Y C 1.843 177.753 175.900 0.016 0.000 1.156 706 Y CA 1.568 59.693 58.100 0.042 0.000 1.182 706 Y CB -0.565 37.846 38.460 -0.081 0.000 0.979 706 Y HN -0.127 nan 8.280 nan 0.000 0.521 707 L N -0.848 120.368 121.223 -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 0.875 55.684 54.840 -0.050 0.000 0.834 707 L CB -0.256 41.857 42.059 0.091 0.000 1.029 707 L HN 0.174 nan 8.230 nan 0.000 0.473 708 D N -0.828 119.489 120.400 -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 0.685 54.585 54.000 -0.166 0.000 0.854 708 D CB 0.406 41.142 40.800 -0.107 0.000 0.936 708 D HN 0.182 nan 8.370 nan 0.000 0.514 709 G N 0.467 108.926 108.800 -0.568 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 0.673 175.157 174.900 -0.694 0.000 0.981 709 G CA 0.528 45.140 45.100 -0.814 0.000 0.665 709 G HN 0.684 nan 8.290 nan 0.000 0.528 710 T N -0.458 113.692 114.554 -0.673 0.000 3.820 710 T HA 0.555 4.905 4.350 0.000 0.000 0.224 710 T C 0.618 175.265 174.700 -0.089 0.000 0.869 710 T CA -0.545 61.141 62.100 -0.689 0.000 0.932 710 T CB -0.737 67.488 68.868 -1.072 0.000 1.259 710 T HN 0.301 nan 8.240 nan 0.000 0.676 711 F N 2.483 122.560 119.950 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 -0.675 57.484 58.000 0.265 0.000 1.287 711 F CB 0.438 39.505 39.000 0.112 0.000 1.132 711 F HN 0.521 nan 8.300 nan 0.000 0.587 712 Y N -0.310 120.275 120.300 0.475 0.000 2.957 712 Y HA 0.435 4.985 4.550 0.000 0.000 0.274 712 Y C -0.408 175.722 175.900 0.383 0.000 1.065 712 Y CA -0.474 57.871 58.100 0.408 0.000 1.273 712 Y CB -0.865 37.828 38.460 0.389 0.000 1.358 712 Y HN 0.417 nan 8.280 nan 0.000 0.585 713 L N 0.923 122.127 121.223 -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 0.608 119.420 118.700 0.186 0.000 2.364 714 N HA -0.176 4.564 4.740 0.000 0.000 0.183 714 N C 1.673 177.597 175.510 0.690 0.000 1.022 714 N CA 1.133 54.386 53.050 0.338 0.000 0.883 714 N CB -0.123 38.190 38.487 -0.290 0.000 0.965 714 N HN 0.589 nan 8.380 nan 0.000 0.438 715 H N -0.223 119.030 119.070 0.305 0.000 2.559 715 H HA 0.074 4.630 4.556 0.000 0.000 0.273 715 H C 1.033 176.391 175.328 0.051 0.000 1.000 715 H CA 1.231 57.272 56.048 -0.011 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 -2.430 111.961 114.554 -0.271 0.000 3.144 716 T HA 0.158 4.508 4.350 0.000 0.000 0.249 716 T C 0.118 174.710 174.700 -0.180 0.000 1.089 716 T CA -0.553 61.390 62.100 -0.262 0.000 0.989 716 T CB -0.737 67.884 68.868 -0.412 0.000 0.992 716 T HN 0.012 nan 8.240 nan 0.000 0.540 717 F N 1.417 121.422 119.950 0.091 0.000 2.394 717 F HA 0.596 5.123 4.527 0.000 0.000 0.340 717 F C 1.370 177.147 175.800 -0.038 0.000 1.105 717 F CA -1.140 56.906 58.000 0.077 0.000 1.124 717 F CB 1.817 40.927 39.000 0.184 0.000 1.145 717 F HN -0.104 nan 8.300 nan 0.000 0.505 718 K N 2.237 122.687 120.400 0.082 0.000 2.161 718 K HA 0.186 4.506 4.320 0.000 0.000 0.205 718 K C -0.510 176.033 176.600 -0.095 0.000 1.035 718 K CA 0.724 57.004 56.287 -0.012 0.000 0.970 718 K CB 0.369 32.856 32.500 -0.021 0.000 0.866 718 K HN 0.647 nan 8.250 nan 0.000 0.461 719 K N -1.306 119.041 120.400 -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 -0.214 0.000 0.990 719 K CA -1.117 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 0.109 119.853 119.914 -0.282 0.000 2.686 720 V HA 0.736 4.856 4.120 0.000 0.000 0.306 720 V C -1.021 174.896 176.094 -0.295 0.000 1.065 720 V CA -0.740 61.250 62.300 -0.516 0.000 0.894 720 V CB 1.519 32.867 31.823 -0.793 0.000 1.004 720 V HN 0.966 nan 8.190 nan 0.000 0.424 721 A N 5.729 128.333 122.820 -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 -0.253 0.000 1.159 721 A CA -0.483 51.440 52.037 -0.191 0.000 0.799 721 A CB 0.760 19.671 19.000 -0.149 0.000 1.194 721 A HN 0.784 nan 8.150 nan 0.000 0.479 722 I N 2.044 122.542 120.570 -0.120 0.000 2.406 722 I HA 0.470 4.640 4.170 0.000 0.000 0.290 722 I C -0.463 175.628 176.117 -0.044 0.000 0.999 722 I CA -0.209 60.983 61.300 -0.180 0.000 1.124 722 I CB 2.416 40.313 38.000 -0.171 0.000 1.289 722 I HN 0.582 nan 8.210 nan 0.000 0.441 723 T N 5.600 120.061 114.554 -0.156 0.000 2.928 723 T HA 0.497 4.847 4.350 0.000 0.000 0.296 723 T C -0.663 173.946 174.700 -0.152 0.000 1.000 723 T CA -0.480 61.589 62.100 -0.051 0.000 0.989 723 T CB 0.969 69.826 68.868 -0.018 0.000 1.005 723 T HN 0.086 nan 8.240 nan 0.000 0.442 724 F N 1.799 121.796 119.950 0.078 0.000 2.399 724 F HA 0.340 4.867 4.527 0.000 0.000 0.334 724 F C 1.163 177.019 175.800 0.093 0.000 1.097 724 F CA -0.349 57.679 58.000 0.048 0.000 1.076 724 F CB 0.853 39.862 39.000 0.015 0.000 1.162 724 F HN 0.554 nan 8.300 nan 0.000 0.495 725 D N 1.867 122.450 120.400 0.304 0.000 2.702 725 D HA -0.234 4.406 4.640 0.000 0.000 0.233 725 D C 0.727 177.103 176.300 0.127 0.000 1.164 725 D CA 1.309 55.429 54.000 0.200 0.000 0.638 725 D CB -0.974 39.953 40.800 0.211 0.000 1.041 725 D HN 0.788 nan 8.370 nan 0.000 0.422 726 S N -2.753 113.005 115.700 0.097 0.000 3.491 726 S HA -0.294 4.176 4.470 0.000 0.000 0.371 726 S C 0.943 175.581 174.600 0.063 0.000 0.980 726 S CA 1.810 60.047 58.200 0.062 0.000 1.204 726 S CB -1.813 61.415 63.200 0.047 0.000 0.915 726 S HN 1.179 nan 8.310 nan 0.000 0.482 727 S N -2.496 113.254 115.700 0.083 0.000 1.773 727 S HA 0.146 4.616 4.470 0.000 0.000 0.203 727 S C 0.107 174.763 174.600 0.093 0.000 0.762 727 S CA 0.201 58.445 58.200 0.073 0.000 1.503 727 S CB -0.606 62.633 63.200 0.065 0.000 0.926 727 S HN 1.979 nan 8.310 nan 0.000 0.380 728 V N 2.421 122.419 119.914 0.141 0.000 2.368 728 V HA 0.796 4.916 4.120 0.000 0.000 0.266 728 V C 0.088 176.319 176.094 0.227 0.000 1.045 728 V CA -0.091 62.312 62.300 0.172 0.000 0.899 728 V CB 0.766 32.708 31.823 0.200 0.000 1.006 728 V HN 0.467 nan 8.190 nan 0.000 0.470 729 S N 5.757 121.560 115.700 0.171 0.000 2.548 729 S HA 0.497 4.967 4.470 0.000 0.000 0.277 729 S C -0.818 173.958 174.600 0.293 0.000 1.315 729 S CA -0.496 57.815 58.200 0.185 0.000 1.050 729 S CB 0.404 63.652 63.200 0.080 0.000 0.918 729 S HN 0.949 nan 8.310 nan 0.000 0.497 730 W N 6.478 127.910 121.300 0.220 0.000 2.702 730 W HA 0.517 5.177 4.660 0.000 0.000 0.331 730 W C -1.966 174.751 176.519 0.330 0.000 1.049 730 W CA -2.146 55.401 57.345 0.336 0.000 1.230 730 W CB 1.655 31.482 29.460 0.612 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 0.915 177.932 177.300 -0.472 0.000 1.191 731 P CA 1.424 63.734 63.100 -1.317 0.000 0.771 731 P CB 0.319 31.240 31.700 -1.298 0.000 0.929 732 G N 1.892 110.555 108.800 -0.229 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 0.380 175.196 174.900 -0.141 0.000 1.277 732 G CA 0.341 45.370 45.100 -0.118 0.000 0.959 732 G HN 0.326 nan 8.290 nan 0.000 0.554 733 N N 0.127 118.773 118.700 -0.090 0.000 2.681 733 N HA -0.211 4.529 4.740 0.000 0.000 0.250 733 N C 0.636 176.100 175.510 -0.077 0.000 1.133 733 N CA 2.509 55.509 53.050 -0.083 0.000 0.732 733 N CB -0.872 37.552 38.487 -0.105 0.000 1.107 733 N HN 1.570 nan 8.380 nan 0.000 0.559 734 D N -1.395 118.961 120.400 -0.074 0.000 2.751 734 D HA -0.223 4.417 4.640 0.000 0.000 0.233 734 D C 1.158 177.424 176.300 -0.057 0.000 1.149 734 D CA 1.162 55.127 54.000 -0.059 0.000 0.682 734 D CB -0.178 40.600 40.800 -0.038 0.000 1.068 734 D HN 0.396 nan 8.370 nan 0.000 0.429 735 R N -0.525 119.925 120.500 -0.083 0.000 2.062 735 R HA 0.119 4.459 4.340 0.000 0.000 0.226 735 R C 1.102 177.390 176.300 -0.020 0.000 1.125 735 R CA 0.574 56.641 56.100 -0.055 0.000 0.966 735 R CB -0.085 30.162 30.300 -0.089 0.000 0.861 735 R HN 0.329 nan 8.270 nan 0.000 0.433 736 L N 1.256 122.436 121.223 -0.071 0.000 2.421 736 L HA 0.166 4.506 4.340 0.000 0.000 0.263 736 L C 1.935 178.799 176.870 -0.009 0.000 1.122 736 L CA -0.434 54.371 54.840 -0.060 0.000 0.804 736 L CB 0.602 42.540 42.059 -0.202 0.000 1.150 736 L HN 0.004 nan 8.230 nan 0.000 0.457 737 L N 0.598 121.866 121.223 0.075 0.000 2.127 737 L HA -0.125 4.215 4.340 0.000 0.000 0.211 737 L C 1.100 178.002 176.870 0.054 0.000 1.089 737 L CA 1.369 56.321 54.840 0.187 0.000 0.757 737 L CB -0.573 41.843 42.059 0.595 0.000 0.899 737 L HN 0.800 nan 8.230 nan 0.000 0.434 738 T N -4.074 110.436 114.554 -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 -1.876 60.141 62.100 -0.139 0.000 1.320 738 T CB 0.916 69.652 68.868 -0.219 0.000 1.102 738 T HN -0.056 nan 8.240 nan 0.000 0.610 739 P HA -0.183 nan 4.420 nan 0.000 0.218 739 P C 0.838 178.050 177.300 -0.147 0.000 1.150 739 P CA 1.209 64.232 63.100 -0.129 0.000 0.841 739 P CB 0.164 31.816 31.700 -0.080 0.000 0.784 740 N N 0.152 118.781 118.700 -0.119 0.000 2.398 740 N HA 0.004 4.744 4.740 0.000 0.000 0.188 740 N C 0.754 176.203 175.510 -0.103 0.000 1.122 740 N CA 0.538 53.532 53.050 -0.093 0.000 0.866 740 N CB 0.346 38.794 38.487 -0.065 0.000 0.970 740 N HN 0.575 nan 8.380 nan 0.000 0.462 741 E N -1.191 118.912 120.200 -0.163 0.000 2.422 741 E HA 0.208 4.558 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 0.287 29.929 29.700 -0.096 0.000 1.353 741 E HN -0.243 nan 8.360 nan 0.000 0.449 742 F N 1.375 121.248 119.950 -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 -0.385 57.557 58.000 -0.097 0.000 1.139 742 F CB 1.251 40.233 39.000 -0.030 0.000 1.220 742 F HN 0.239 nan 8.300 nan 0.000 0.499 743 E N 4.666 124.832 120.200 -0.057 0.000 2.130 743 E HA 0.214 4.564 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 -0.132 56.183 56.400 -0.141 0.000 0.817 743 E CB 1.516 31.139 29.700 -0.129 0.000 1.078 743 E HN 0.688 nan 8.360 nan 0.000 0.396 744 I N 2.836 123.136 120.570 -0.451 0.000 2.333 744 I HA -0.142 4.028 4.170 0.000 0.000 0.246 744 I C 0.840 176.796 176.117 -0.269 0.000 1.106 744 I CA 1.088 61.903 61.300 -0.809 0.000 1.411 744 I CB 0.064 37.391 38.000 -1.121 0.000 1.082 744 I HN 0.408 nan 8.210 nan 0.000 0.420 745 K N 0.454 120.801 120.400 -0.087 0.000 2.532 745 K HA 0.662 4.982 4.320 0.000 0.000 0.265 745 K C -0.981 175.647 176.600 0.045 0.000 0.948 745 K CA -0.904 55.429 56.287 0.078 0.000 0.842 745 K CB 2.107 34.743 32.500 0.227 0.000 1.392 745 K HN -0.156 nan 8.250 nan 0.000 0.436 746 R N 0.503 121.049 120.500 0.077 0.000 2.740 746 R HA 0.368 4.708 4.340 0.000 0.000 0.282 746 R C -0.986 175.357 176.300 0.071 0.000 0.969 746 R CA -1.099 55.029 56.100 0.048 0.000 0.918 746 R CB 2.311 32.634 30.300 0.037 0.000 1.175 746 R HN 0.884 nan 8.270 nan 0.000 0.464 747 S N 0.837 116.567 115.700 0.049 0.000 2.423 747 S HA 0.193 4.663 4.470 0.000 0.000 0.317 747 S C 1.198 175.827 174.600 0.049 0.000 1.065 747 S CA -0.702 57.531 58.200 0.055 0.000 1.111 747 S CB 1.066 64.291 63.200 0.042 0.000 0.968 747 S HN 0.535 nan 8.310 nan 0.000 0.474 748 V N 1.976 121.926 119.914 0.060 0.000 0.575 748 V HA -0.458 3.662 4.120 0.000 0.000 0.092 748 V C 2.088 178.210 176.094 0.047 0.000 1.949 748 V CA 2.551 64.883 62.300 0.052 0.000 3.444 748 V CB -1.921 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 0.914 121.335 120.400 0.036 0.000 2.203 749 D HA -0.077 4.563 4.640 0.000 0.000 0.199 749 D C 1.592 177.918 176.300 0.043 0.000 0.997 749 D CA 1.957 55.975 54.000 0.031 0.000 0.863 749 D CB -0.334 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 0.912 175.890 174.900 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 0.730 120.992 120.200 0.104 0.000 2.160 751 E HA -0.120 4.230 4.350 0.000 0.000 0.195 751 E C 2.539 179.202 176.600 0.106 0.000 0.991 751 E CA 1.180 57.640 56.400 0.100 0.000 0.810 751 E CB 0.001 29.744 29.700 0.071 0.000 0.742 751 E HN 0.452 nan 8.360 nan 0.000 0.466 752 G N -0.079 108.784 108.800 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 1.387 176.315 174.900 0.047 0.000 1.141 752 G CA 0.596 45.730 45.100 0.057 0.000 0.763 752 G HN 0.268 nan 8.290 nan 0.000 0.554 753 Y N 1.280 121.599 120.300 0.031 0.000 2.224 753 Y HA -0.018 4.532 4.550 0.000 0.000 0.289 753 Y C 1.221 177.146 175.900 0.042 0.000 1.146 753 Y CA 0.705 58.827 58.100 0.036 0.000 1.182 753 Y CB -0.149 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 0.382 119.199 118.700 0.195 0.000 2.454 754 N HA 0.164 4.904 4.740 0.000 0.000 0.254 754 N C -0.183 175.367 175.510 0.066 0.000 1.228 754 N CA 0.342 53.472 53.050 0.134 0.000 0.900 754 N CB 0.867 39.432 38.487 0.129 0.000 1.089 754 N HN 0.045 nan 8.380 nan 0.000 0.449 755 V N -2.220 117.707 119.914 0.021 0.000 3.182 755 V HA 0.843 4.963 4.120 0.000 0.000 0.311 755 V C 0.936 176.963 176.094 -0.113 0.000 1.221 755 V CA -0.703 61.550 62.300 -0.078 0.000 1.060 755 V CB 0.672 32.375 31.823 -0.201 0.000 1.164 755 V HN 0.729 nan 8.190 nan 0.000 0.466 756 A N -0.694 122.001 122.820 -0.208 0.000 2.799 756 A HA -0.293 4.027 4.320 0.000 0.000 0.274 756 A C 0.996 178.565 177.584 -0.025 0.000 1.393 756 A CA 1.817 53.760 52.037 -0.156 0.000 0.909 756 A CB -2.463 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 -4.232 115.565 119.800 -0.005 0.000 2.487 757 Q HA -0.259 4.081 4.340 0.000 0.000 0.279 757 Q C 0.300 176.338 176.000 0.064 0.000 1.228 757 Q CA 1.111 56.930 55.803 0.027 0.000 0.873 757 Q CB -2.719 26.027 28.738 0.015 0.000 1.260 757 Q HN 2.148 nan 8.270 nan 0.000 0.471 758 C N -2.726 116.634 119.300 0.101 0.000 3.292 758 C HA 0.563 5.023 4.460 0.000 0.000 0.369 758 C C 1.259 176.370 174.990 0.202 0.000 1.664 758 C CA -0.265 58.856 59.018 0.171 0.000 1.204 758 C CB 0.827 28.695 27.740 0.214 0.000 1.978 758 C HN 0.474 nan 8.230 nan 0.000 0.435 759 N N 0.648 119.517 118.700 0.282 0.000 2.449 759 N HA 0.029 4.769 4.740 0.000 0.000 0.191 759 N C 0.228 175.904 175.510 0.276 0.000 1.161 759 N CA 0.067 53.274 53.050 0.261 0.000 0.863 759 N CB -0.278 38.365 38.487 0.260 0.000 0.980 759 N HN 0.893 nan 8.380 nan 0.000 0.458 760 M N 1.738 121.503 119.600 0.274 0.000 2.242 760 M HA 0.074 4.554 4.480 0.000 0.000 0.344 760 M C 0.155 176.553 176.300 0.162 0.000 1.140 760 M CA -0.266 55.153 55.300 0.198 0.000 1.160 760 M CB 0.857 33.516 32.600 0.099 0.000 1.491 760 M HN 0.206 nan 8.290 nan 0.000 0.459 761 T N 1.170 115.826 114.554 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 1.129 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 0.483 121.018 120.400 0.226 0.000 2.057 762 K HA -0.120 4.200 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 1.579 57.991 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 0.224 120.753 120.400 0.216 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 0.920 55.009 54.000 0.147 0.000 0.834 763 D CB -0.282 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 -0.213 4.447 4.660 0.000 0.000 0.294 764 W C 2.039 178.417 176.519 -0.236 0.000 1.212 764 W CA 0.376 57.618 57.345 -0.171 0.000 1.271 764 W CB -0.410 28.921 29.460 -0.214 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 -0.202 0.000 2.171 765 F HA -0.231 4.296 4.527 0.000 0.000 0.300 765 F C 2.244 177.845 175.800 -0.333 0.000 1.090 765 F CA 1.762 59.549 58.000 -0.356 0.000 1.293 765 F CB -0.983 37.844 39.000 -0.288 0.000 1.013 765 F HN -0.147 nan 8.300 nan 0.000 0.486 766 L N -0.228 120.902 121.223 -0.155 0.000 2.056 766 L HA -0.118 4.222 4.340 0.000 0.000 0.207 766 L C 2.169 178.835 176.870 -0.340 0.000 1.078 766 L CA 1.696 56.485 54.840 -0.084 0.000 0.749 766 L CB -1.011 41.098 42.059 0.084 0.000 0.901 766 L HN 0.028 nan 8.230 nan 0.000 0.433 767 V N -0.308 119.321 119.914 -0.474 0.000 2.358 767 V HA -0.248 3.872 4.120 0.000 0.000 0.246 767 V C 2.676 178.316 176.094 -0.756 0.000 1.047 767 V CA 1.641 63.541 62.300 -0.668 0.000 1.035 767 V CB -0.801 30.541 31.823 -0.802 0.000 0.658 767 V HN 0.503 nan 8.190 nan 0.000 0.452 768 Q N -0.993 118.187 119.800 -1.034 0.000 2.119 768 Q HA -0.088 4.252 4.340 0.000 0.000 0.201 768 Q C 2.230 177.791 176.000 -0.733 0.000 0.972 768 Q CA 1.254 56.398 55.803 -1.100 0.000 0.847 768 Q CB -0.418 27.252 28.738 -1.781 0.000 0.903 768 Q HN 0.463 nan 8.270 nan 0.000 0.433 769 M N -0.018 119.209 119.600 -0.622 0.000 2.175 769 M HA -0.065 4.415 4.480 0.000 0.000 0.264 769 M C 2.268 178.455 176.300 -0.188 0.000 1.063 769 M CA 1.078 56.217 55.300 -0.267 0.000 1.119 769 M CB -0.868 31.541 32.600 -0.317 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 -0.259 0.000 2.027 770 L HA -0.126 4.214 4.340 0.000 0.000 0.206 770 L C 2.707 179.481 176.870 -0.161 0.000 1.074 770 L CA 1.153 55.887 54.840 -0.176 0.000 0.745 770 L CB -0.900 41.067 42.059 -0.153 0.000 0.898 770 L HN 0.243 nan 8.230 nan 0.000 0.433 771 A N 0.228 122.905 122.820 -0.238 0.000 1.940 771 A HA -0.230 4.090 4.320 0.000 0.000 0.219 771 A C 1.966 179.372 177.584 -0.296 0.000 1.176 771 A CA 2.375 54.277 52.037 -0.225 0.000 0.631 771 A CB -0.643 18.181 19.000 -0.293 0.000 0.814 771 A HN 0.483 nan 8.150 nan 0.000 0.446 772 N N -2.404 116.015 118.700 -0.468 0.000 2.336 772 N HA 0.056 4.796 4.740 0.000 0.000 0.177 772 N C 0.559 175.558 175.510 -0.852 0.000 1.018 772 N CA 1.346 53.929 53.050 -0.779 0.000 0.878 772 N CB -0.002 37.722 38.487 -1.272 0.000 0.997 772 N HN 0.623 nan 8.380 nan 0.000 0.433 773 Y N -1.421 118.824 120.300 -0.092 0.000 2.610 773 Y HA 0.397 4.947 4.550 0.000 0.000 0.254 773 Y C -0.084 175.766 175.900 -0.083 0.000 1.110 773 Y CA -0.746 57.298 58.100 -0.093 0.000 1.238 773 Y CB -0.474 37.905 38.460 -0.135 0.000 1.322 773 Y HN -0.104 nan 8.280 nan 0.000 0.547 774 N N 0.671 119.379 118.700 0.013 0.000 2.782 774 N HA -0.190 4.550 4.740 0.000 0.000 0.251 774 N C -0.718 174.788 175.510 -0.007 0.000 1.101 774 N CA 0.339 53.399 53.050 0.017 0.000 0.764 774 N CB -1.003 37.516 38.487 0.054 0.000 1.122 774 N HN 0.261 nan 8.380 nan 0.000 0.561 775 I N -0.196 120.342 120.570 -0.053 0.000 2.353 775 I HA 0.416 4.586 4.170 0.000 0.000 0.293 775 I C 1.394 177.368 176.117 -0.238 0.000 0.992 775 I CA 0.365 61.565 61.300 -0.167 0.000 1.268 775 I CB 1.584 39.400 38.000 -0.308 0.000 1.387 775 I HN 0.271 nan 8.210 nan 0.000 0.478 776 G N 3.948 112.524 108.800 -0.373 0.000 3.685 776 G HA2 -0.183 3.777 3.960 0.000 0.000 0.215 776 G HA3 -0.183 3.777 3.960 0.000 0.000 0.215 776 G C 0.395 174.913 174.900 -0.637 0.000 0.987 776 G CA -0.247 44.463 45.100 -0.650 0.000 0.884 776 G HN 0.462 nan 8.290 nan 0.000 0.406 777 Y N 1.798 121.986 120.300 -0.187 0.000 2.544 777 Y HA 0.257 4.807 4.550 0.000 0.000 0.286 777 Y C 2.212 178.042 175.900 -0.116 0.000 1.141 777 Y CA 1.310 59.331 58.100 -0.131 0.000 1.299 777 Y CB 0.417 38.838 38.460 -0.065 0.000 1.030 777 Y HN 0.506 nan 8.280 nan 0.000 0.543 778 Q N -0.658 119.149 119.800 0.011 0.000 2.333 778 Q HA 0.514 4.854 4.340 0.000 0.000 0.365 778 Q C 0.119 176.137 176.000 0.029 0.000 0.882 778 Q CA -0.135 55.688 55.803 0.032 0.000 1.124 778 Q CB 0.667 29.451 28.738 0.076 0.000 1.345 778 Q HN 0.159 nan 8.270 nan 0.000 0.409 779 G N 0.608 109.343 108.800 -0.108 0.000 2.675 779 G HA2 -0.110 3.850 3.960 0.000 0.000 0.686 779 G HA3 -0.110 3.850 3.960 0.000 0.000 0.686 779 G C -1.245 173.571 174.900 -0.139 0.000 1.215 779 G CA -1.012 44.049 45.100 -0.064 0.000 0.777 779 G HN 0.180 nan 8.290 nan 0.000 0.638 780 F N 1.424 121.435 119.950 0.102 0.000 2.436 780 F HA 0.826 5.353 4.527 0.000 0.000 0.340 780 F C 0.670 176.504 175.800 0.056 0.000 1.113 780 F CA -0.430 57.562 58.000 -0.012 0.000 1.022 780 F CB 1.591 40.675 39.000 0.140 0.000 1.128 780 F HN 0.736 nan 8.300 nan 0.000 0.466 781 Y N 0.096 120.490 120.300 0.157 0.000 2.656 781 Y HA 0.618 5.168 4.550 0.000 0.000 0.334 781 Y C -1.045 174.731 175.900 -0.207 0.000 1.179 781 Y CA -2.094 56.004 58.100 -0.003 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 4.773 125.261 120.570 -0.137 0.000 2.668 782 I HA 0.126 4.296 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 -1.433 59.542 61.300 -0.541 0.000 1.424 782 I CB 0.507 38.317 38.000 -0.317 0.000 1.377 782 I HN 0.416 nan 8.210 nan 0.000 0.560 783 P HA 0.105 nan 4.420 nan 0.000 0.272 783 P C -0.703 176.364 177.300 -0.389 0.000 1.230 783 P CA -0.399 62.332 63.100 -0.616 0.000 0.788 783 P CB 0.568 31.496 31.700 -1.286 0.000 0.949 784 E N 0.351 120.363 120.200 -0.314 0.000 2.414 784 E HA 0.027 4.377 4.350 0.000 0.000 0.263 784 E C 1.336 177.739 176.600 -0.329 0.000 1.000 784 E CA -0.010 56.217 56.400 -0.287 0.000 0.914 784 E CB 0.161 29.632 29.700 -0.382 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 60.178 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 1.155 121.466 120.300 0.018 0.000 2.497 786 Y HA 0.160 4.710 4.550 0.000 0.000 0.292 786 Y C 1.650 177.587 175.900 0.062 0.000 1.137 786 Y CA 0.598 58.716 58.100 0.030 0.000 1.285 786 Y CB -0.445 38.028 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 0.006 4.326 4.320 0.000 0.000 0.194 787 K C -0.137 176.536 176.600 0.121 0.000 1.038 787 K CA 0.541 56.754 56.287 -0.124 0.000 1.023 787 K CB 0.256 32.633 32.500 -0.206 0.000 0.840 787 K HN 0.118 nan 8.250 nan 0.000 0.519 788 D N 2.126 122.552 120.400 0.044 0.000 2.638 788 D HA 0.046 4.686 4.640 0.000 0.000 0.245 788 D C -0.052 176.318 176.300 0.117 0.000 1.176 788 D CA -0.260 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 1.106 121.681 120.500 0.125 0.000 2.828 789 R HA 0.118 4.458 4.340 0.000 0.000 0.270 789 R C 1.543 177.850 176.300 0.012 0.000 1.244 789 R CA -0.499 55.639 56.100 0.063 0.000 1.143 789 R CB -0.328 30.019 30.300 0.078 0.000 1.128 789 R HN 0.342 nan 8.270 nan 0.000 0.587 790 M N 0.068 119.604 119.600 -0.108 0.000 2.159 790 M HA -0.127 4.353 4.480 0.000 0.000 0.263 790 M C 0.424 176.558 176.300 -0.277 0.000 1.063 790 M CA 1.849 56.986 55.300 -0.273 0.000 1.110 790 M CB 0.115 32.404 32.600 -0.518 0.000 1.374 790 M HN 0.419 nan 8.290 nan 0.000 0.411 791 Y N -0.172 120.167 120.300 0.064 0.000 2.571 791 Y HA 0.335 4.885 4.550 0.000 0.000 0.275 791 Y C 0.740 176.690 175.900 0.083 0.000 1.179 791 Y CA -0.576 57.572 58.100 0.079 0.000 1.242 791 Y CB -0.358 38.147 38.460 0.074 0.000 1.126 791 Y HN 0.016 nan 8.280 nan 0.000 0.524 792 S N 0.212 116.031 115.700 0.197 0.000 2.632 792 S HA 0.062 4.532 4.470 0.000 0.000 0.267 792 S C 0.952 175.697 174.600 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 63.968 63.200 0.260 0.000 0.953 792 S HN 0.374 nan 8.310 nan 0.000 0.547 793 F N 1.603 121.622 119.950 0.116 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 -0.768 38.248 39.000 0.026 0.000 0.974 793 F HN 0.647 nan 8.300 nan 0.000 0.473 794 F N 1.415 121.210 119.950 -0.259 0.000 2.065 794 F HA -0.232 4.295 4.527 0.000 0.000 0.298 794 F C 2.743 178.469 175.800 -0.125 0.000 1.112 794 F CA 2.314 60.104 58.000 -0.350 0.000 1.212 794 F CB -0.667 38.241 39.000 -0.153 0.000 0.975 794 F HN 0.018 nan 8.300 nan 0.000 0.476 795 R N 0.890 121.438 120.500 0.079 0.000 2.154 795 R HA -0.192 4.148 4.340 0.000 0.000 0.248 795 R C 1.313 177.567 176.300 -0.076 0.000 1.155 795 R CA 2.219 58.327 56.100 0.013 0.000 0.979 795 R CB -0.712 29.634 30.300 0.077 0.000 0.869 795 R HN 0.355 nan 8.270 nan 0.000 0.452 796 N N -0.794 117.878 118.700 -0.047 0.000 2.205 796 N HA -0.029 4.711 4.740 0.000 0.000 0.201 796 N C -0.769 174.763 175.510 0.037 0.000 1.128 796 N CA -0.087 52.972 53.050 0.016 0.000 0.867 796 N CB 0.264 38.819 38.487 0.112 0.000 0.996 796 N HN 0.079 nan 8.380 nan 0.000 0.503 797 F N 3.091 122.847 119.950 -0.324 0.000 2.471 797 F HA 0.175 4.702 4.527 0.000 0.000 0.365 797 F C -0.032 175.650 175.800 -0.197 0.000 1.095 797 F CA -0.251 57.574 58.000 -0.292 0.000 1.174 797 F CB 0.530 39.128 39.000 -0.670 0.000 1.105 797 F HN -0.171 nan 8.300 nan 0.000 0.535 798 Q N 8.917 128.467 119.800 -0.416 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 -1.933 53.622 55.803 -0.413 0.000 0.734 798 Q CB 1.442 30.083 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 -0.517 176.716 177.300 -0.113 0.000 1.227 799 P CA -0.105 62.803 63.100 -0.320 0.000 0.781 799 P CB 1.072 32.543 31.700 -0.381 0.000 0.906 800 M N 1.132 120.742 119.600 0.017 0.000 2.531 800 M HA 0.440 4.920 4.480 0.000 0.000 0.286 800 M C -0.458 176.046 176.300 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 35.324 32.600 0.017 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 0.083 0.000 1.141 801 S CA -0.954 57.428 58.200 0.303 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 0.609 120.950 120.500 -0.264 0.000 2.728 802 R HA 0.695 5.035 4.340 0.000 0.000 0.274 802 R C -2.117 173.966 176.300 -0.362 0.000 1.030 802 R CA -0.956 54.876 56.100 -0.445 0.000 0.876 802 R CB 0.739 30.425 30.300 -1.023 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 -1.178 174.695 176.000 -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 31.551 28.738 -0.137 0.000 1.367 803 Q HN 0.610 nan 8.270 nan 0.000 0.449 804 V N -2.232 117.582 119.914 -0.165 0.000 3.120 804 V HA 0.697 4.817 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 -1.413 60.811 62.300 -0.127 0.000 1.008 804 V CB 1.221 32.977 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 0.192 4.312 4.120 0.000 0.000 0.307 805 V C 0.394 176.377 176.094 -0.184 0.000 1.071 805 V CA 0.445 62.637 62.300 -0.181 0.000 1.199 805 V CB 0.263 31.970 31.823 -0.193 0.000 0.900 805 V HN 1.056 nan 8.190 nan 0.000 0.494 806 D N 4.320 124.609 120.400 -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 -0.244 0.000 1.229 806 D CA -0.066 53.835 54.000 -0.164 0.000 0.895 806 D CB 0.965 41.705 40.800 -0.100 0.000 1.046 806 D HN 0.864 nan 8.370 nan 0.000 0.498 807 D N 1.569 121.715 120.400 -0.423 0.000 2.384 807 D HA -0.160 4.480 4.640 0.000 0.000 0.222 807 D C 1.164 177.234 176.300 -0.383 0.000 0.976 807 D CA 0.630 54.142 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 -3.540 110.899 114.554 -0.190 0.000 3.044 808 T HA 0.255 4.605 4.350 0.000 0.000 0.260 808 T C 1.396 176.069 174.700 -0.045 0.000 1.019 808 T CA -0.409 61.637 62.100 -0.090 0.000 0.921 808 T CB 0.358 69.186 68.868 -0.066 0.000 1.053 808 T HN 0.022 nan 8.240 nan 0.000 0.533 809 K N -0.494 119.886 120.400 -0.032 0.000 2.502 809 K HA 0.222 4.542 4.320 0.000 0.000 0.211 809 K C -0.654 175.981 176.600 0.059 0.000 1.259 809 K CA -0.401 55.889 56.287 0.003 0.000 0.983 809 K CB 0.710 33.208 32.500 -0.003 0.000 1.054 809 K HN 0.299 nan 8.250 nan 0.000 0.572 810 Y N 4.339 124.588 120.300 -0.086 0.000 2.556 810 Y HA 0.027 4.577 4.550 0.000 0.000 0.352 810 Y C 1.178 177.072 175.900 -0.011 0.000 1.006 810 Y CA -1.084 56.975 58.100 -0.068 0.000 1.277 810 Y CB 0.313 38.698 38.460 -0.125 0.000 1.136 810 Y HN 0.030 nan 8.280 nan 0.000 0.523 811 K N 1.883 122.110 120.400 -0.289 0.000 2.077 811 K HA -0.246 4.074 4.320 0.000 0.000 0.213 811 K C 0.303 176.658 176.600 -0.409 0.000 1.051 811 K CA 2.368 58.482 56.287 -0.289 0.000 0.929 811 K CB -0.134 32.245 32.500 -0.202 0.000 0.715 811 K HN 0.509 nan 8.250 nan 0.000 0.451 812 D N -0.086 119.812 120.400 -0.837 0.000 2.319 812 D HA -0.039 4.601 4.640 0.000 0.000 0.230 812 D C -0.195 175.898 176.300 -0.345 0.000 1.094 812 D CA -0.050 53.617 54.000 -0.556 0.000 0.856 812 D CB -0.385 40.148 40.800 -0.445 0.000 0.915 812 D HN 0.217 nan 8.370 nan 0.000 0.517 813 Y N 2.355 122.407 120.300 -0.412 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 0.100 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 5.791 125.226 119.800 -0.608 0.000 2.263 814 Q HA 0.148 4.488 4.340 0.000 0.000 0.266 814 Q C -1.339 174.263 176.000 -0.663 0.000 1.002 814 Q CA -0.706 54.826 55.803 -0.452 0.000 0.790 814 Q CB 2.005 30.677 28.738 -0.110 0.000 1.272 814 Q HN 0.786 nan 8.270 nan 0.000 0.435 815 Q N 2.410 121.919 119.800 -0.485 0.000 2.323 815 Q HA 0.417 4.757 4.340 0.000 0.000 0.257 815 Q C -1.059 174.910 176.000 -0.052 0.000 1.022 815 Q CA -0.164 55.536 55.803 -0.172 0.000 0.919 815 Q CB 0.664 29.448 28.738 0.077 0.000 1.220 815 Q HN 0.360 nan 8.270 nan 0.000 0.427 816 V N 3.639 123.541 119.914 -0.021 0.000 2.487 816 V HA 0.592 4.712 4.120 0.000 0.000 0.298 816 V C 0.552 176.602 176.094 -0.074 0.000 1.028 816 V CA -0.726 61.552 62.300 -0.036 0.000 0.860 816 V CB 1.568 33.346 31.823 -0.075 0.000 0.991 816 V HN 0.858 nan 8.190 nan 0.000 0.427 817 G N 2.272 111.062 108.800 -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 0.852 175.678 174.900 -0.123 0.000 1.210 817 G CA -0.536 44.532 45.100 -0.053 0.000 0.960 817 G HN 0.741 nan 8.290 nan 0.000 0.497 818 I N -0.538 119.953 120.570 -0.131 0.000 2.236 818 I HA -0.218 3.952 4.170 0.000 0.000 0.249 818 I C 2.488 178.529 176.117 -0.126 0.000 1.102 818 I CA 1.097 62.315 61.300 -0.136 0.000 1.365 818 I CB -0.988 36.954 38.000 -0.097 0.000 1.051 818 I HN 0.363 nan 8.210 nan 0.000 0.420 819 L N -0.261 120.857 121.223 -0.174 0.000 2.129 819 L HA -0.246 4.094 4.340 0.000 0.000 0.212 819 L C 1.686 178.297 176.870 -0.432 0.000 1.087 819 L CA 1.810 56.464 54.840 -0.311 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 -2.596 116.492 119.070 0.029 0.000 2.785 820 H HA 0.232 4.788 4.556 0.000 0.000 0.268 820 H C -0.123 175.194 175.328 -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 1.370 121.161 119.800 -0.014 0.000 2.243 821 Q HA 0.298 4.638 4.340 0.000 0.000 0.252 821 Q C -0.654 175.373 176.000 0.045 0.000 0.909 821 Q CA -0.666 55.065 55.803 -0.121 0.000 0.922 821 Q CB 1.153 29.683 28.738 -0.346 0.000 1.215 821 Q HN 0.528 nan 8.270 nan 0.000 0.427 822 H N -0.346 118.764 119.070 0.067 0.000 2.840 822 H HA 0.566 5.122 4.556 0.000 0.000 0.340 822 H C -1.461 173.923 175.328 0.094 0.000 1.004 822 H CA -0.955 55.147 56.048 0.090 0.000 1.288 822 H CB 1.091 30.891 29.762 0.064 0.000 1.607 822 H HN 0.430 nan 8.280 nan 0.000 0.522 823 N N 3.142 121.988 118.700 0.244 0.000 2.519 823 N HA 0.182 4.922 4.740 0.000 0.000 0.291 823 N C -0.743 174.933 175.510 0.278 0.000 1.107 823 N CA -0.377 52.777 53.050 0.173 0.000 0.904 823 N CB 0.911 39.353 38.487 -0.076 0.000 1.500 823 N HN 0.869 nan 8.380 nan 0.000 0.510 824 N N 0.223 119.098 118.700 0.293 0.000 2.882 824 N HA -0.157 4.583 4.740 0.000 0.000 0.249 824 N C -0.670 175.047 175.510 0.345 0.000 1.079 824 N CA 1.045 54.331 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 -0.892 114.937 115.700 0.215 0.000 2.552 825 S HA 0.396 4.866 4.470 0.000 0.000 0.289 825 S C 1.628 176.107 174.600 -0.202 0.000 1.304 825 S CA 0.980 59.202 58.200 0.036 0.000 1.063 825 S CB 1.539 64.731 63.200 -0.013 0.000 0.848 825 S HN 1.028 nan 8.310 nan 0.000 0.499 826 G N 1.970 110.593 108.800 -0.295 0.000 2.268 826 G HA2 -0.257 3.704 3.960 0.000 0.000 0.240 826 G HA3 -0.257 3.704 3.960 0.000 0.000 0.240 826 G C 0.242 174.750 174.900 -0.653 0.000 1.010 826 G CA 0.370 45.131 45.100 -0.565 0.000 0.618 826 G HN 0.778 nan 8.290 nan 0.000 0.516 827 F N 0.538 120.496 119.950 0.013 0.000 2.706 827 F HA 0.610 5.137 4.527 0.000 0.000 0.308 827 F C 0.984 176.785 175.800 0.001 0.000 1.095 827 F CA -0.193 57.812 58.000 0.009 0.000 1.244 827 F CB 0.848 39.861 39.000 0.022 0.000 1.063 827 F HN 0.156 nan 8.300 nan 0.000 0.582 828 V N -0.928 119.059 119.914 0.121 0.000 3.126 828 V HA 0.766 4.886 4.120 0.000 0.000 0.314 828 V C 0.523 176.629 176.094 0.020 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 -0.574 108.219 108.800 -0.012 0.000 2.599 829 G HA2 0.363 4.323 3.960 0.000 0.000 0.264 829 G HA3 0.363 4.323 3.960 0.000 0.000 0.264 829 G C -1.241 173.696 174.900 0.061 0.000 1.200 829 G CA -0.144 44.945 45.100 -0.018 0.000 0.896 829 G HN 0.684 nan 8.290 nan 0.000 0.536 830 Y N 1.014 121.267 120.300 -0.079 0.000 2.367 830 Y HA 0.365 4.915 4.550 0.000 0.000 0.342 830 Y C 1.051 176.928 175.900 -0.037 0.000 0.979 830 Y CA -0.960 57.104 58.100 -0.060 0.000 1.161 830 Y CB 0.333 38.745 38.460 -0.079 0.000 1.155 830 Y HN 0.463 nan 8.280 nan 0.000 0.503 831 L N 4.192 125.179 121.223 -0.392 0.000 3.976 831 L HA -0.341 3.999 4.340 0.000 0.000 0.418 831 L C -0.213 176.610 176.870 -0.078 0.000 1.177 831 L CA 0.787 55.415 54.840 -0.354 0.000 0.968 831 L CB -2.055 39.586 42.059 -0.697 0.000 1.933 831 L HN 0.720 nan 8.230 nan 0.000 0.976 832 A N -1.244 121.535 122.820 -0.067 0.000 2.601 832 A HA 0.728 5.048 4.320 0.000 0.000 0.291 832 A C -2.466 175.040 177.584 -0.131 0.000 1.075 832 A CA -0.635 51.374 52.037 -0.047 0.000 0.671 832 A CB 1.212 20.210 19.000 -0.003 0.000 1.277 832 A HN -0.085 nan 8.150 nan 0.000 0.417 833 P HA 0.134 nan 4.420 nan 0.000 0.243 833 P C 0.342 177.510 177.300 -0.219 0.000 1.668 833 P CA 0.491 63.392 63.100 -0.333 0.000 0.898 833 P CB -0.579 30.832 31.700 -0.481 0.000 1.637 834 T N -3.985 110.472 114.554 -0.161 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 -0.146 0.000 1.004 834 T CA -1.107 60.902 62.100 -0.152 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 1.804 121.309 119.600 -0.159 0.000 2.245 835 M HA 0.109 4.589 4.480 0.000 0.000 0.335 835 M C 0.338 176.572 176.300 -0.109 0.000 1.155 835 M CA -0.489 54.732 55.300 -0.132 0.000 1.055 835 M CB 0.418 32.928 32.600 -0.150 0.000 1.670 835 M HN 0.771 nan 8.290 nan 0.000 0.447 836 R N 3.562 124.019 120.500 -0.073 0.000 2.734 836 R HA 0.221 4.561 4.340 0.000 0.000 0.266 836 R C -0.744 175.503 176.300 -0.087 0.000 1.044 836 R CA 0.050 56.117 56.100 -0.055 0.000 1.128 836 R CB 0.035 30.326 30.300 -0.015 0.000 1.010 836 R HN 0.747 nan 8.270 nan 0.000 0.461 837 E N -0.358 119.783 120.200 -0.099 0.000 2.447 837 E HA 0.584 4.934 4.350 0.000 0.000 0.279 837 E C -0.434 176.069 176.600 -0.161 0.000 1.053 837 E CA -1.065 55.260 56.400 -0.126 0.000 0.840 837 E CB 0.988 30.619 29.700 -0.115 0.000 1.409 837 E HN 0.895 nan 8.360 nan 0.000 0.461 838 G N 0.552 109.242 108.800 -0.184 0.000 2.548 838 G HA2 -0.028 3.932 3.960 0.000 0.000 0.208 838 G HA3 -0.028 3.932 3.960 0.000 0.000 0.208 838 G C -1.150 173.601 174.900 -0.249 0.000 1.308 838 G CA -0.060 44.907 45.100 -0.222 0.000 0.924 838 G HN 0.974 nan 8.290 nan 0.000 0.540 839 Q N -0.991 118.647 119.800 -0.269 0.000 2.416 839 Q HA 0.783 5.123 4.340 0.000 0.000 0.281 839 Q C -0.052 175.808 176.000 -0.234 0.000 1.067 839 Q CA -0.370 55.282 55.803 -0.252 0.000 0.809 839 Q CB 1.905 30.525 28.738 -0.196 0.000 1.418 839 Q HN 2.224 nan 8.270 nan 0.000 0.411 840 A N 1.613 124.311 122.820 -0.204 0.000 2.507 840 A HA 0.456 4.776 4.320 0.000 0.000 0.235 840 A C -1.123 176.571 177.584 0.184 0.000 1.070 840 A CA 0.474 52.496 52.037 -0.024 0.000 0.768 840 A CB 0.046 19.117 19.000 0.118 0.000 1.011 840 A HN 0.672 nan 8.150 nan 0.000 0.502 841 Y N 0.308 120.614 120.300 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 56.775 58.100 -0.003 0.000 1.245 841 Y CB 1.285 39.670 38.460 -0.126 0.000 1.369 841 Y HN 0.663 nan 8.280 nan 0.000 0.487 842 P HA 0.300 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 0.141 63.230 63.100 -0.018 0.000 0.763 842 P CB 0.705 32.316 31.700 -0.148 0.000 0.807 843 A N 3.295 126.191 122.820 0.127 0.000 2.386 843 A HA 0.156 4.476 4.320 0.000 0.000 0.248 843 A C 1.147 178.698 177.584 -0.054 0.000 1.082 843 A CA -0.321 51.770 52.037 0.090 0.000 0.789 843 A CB -0.126 18.862 19.000 -0.019 0.000 1.025 843 A HN 0.719 nan 8.150 nan 0.000 0.490 844 N N -0.254 118.291 118.700 -0.259 0.000 2.177 844 N HA 0.230 4.970 4.740 0.000 0.000 0.218 844 N C -0.761 174.633 175.510 -0.192 0.000 1.182 844 N CA -0.075 52.815 53.050 -0.266 0.000 0.882 844 N CB 0.311 38.534 38.487 -0.440 0.000 1.052 844 N HN 0.418 nan 8.380 nan 0.000 0.519 845 F N 0.943 120.663 119.950 -0.384 0.000 2.650 845 F HA 0.601 5.128 4.527 0.000 0.000 0.310 845 F C -2.881 172.647 175.800 -0.452 0.000 1.112 845 F CA -1.478 56.286 58.000 -0.394 0.000 0.986 845 F CB 2.154 40.976 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 -1.423 175.494 177.300 -0.638 0.000 1.296 846 P CA -0.315 61.973 63.100 -1.355 0.000 0.811 846 P CB 1.251 32.249 31.700 -1.169 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 -1.260 56.713 58.100 -0.211 0.000 1.381 847 Y CB -0.992 37.372 38.460 -0.159 0.000 1.273 847 Y HN 0.213 nan 8.280 nan 0.000 0.546 848 P HA 0.141 nan 4.420 nan 0.000 0.276 848 P C -0.020 177.243 177.300 -0.062 0.000 1.243 848 P CA 0.171 63.250 63.100 -0.035 0.000 0.768 848 P CB 0.583 32.271 31.700 -0.020 0.000 0.856 849 L N 3.332 124.515 121.223 -0.067 0.000 2.640 849 L HA 0.299 4.639 4.340 0.000 0.000 0.230 849 L C 0.935 177.766 176.870 -0.065 0.000 1.123 849 L CA 0.097 54.887 54.840 -0.082 0.000 0.900 849 L CB -0.128 41.882 42.059 -0.082 0.000 1.146 849 L HN 0.388 nan 8.230 nan 0.000 0.484 850 I N -4.044 116.496 120.570 -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 -0.029 0.000 1.117 850 I CA -0.634 60.644 61.300 -0.037 0.000 1.003 850 I CB 1.789 39.771 38.000 -0.029 0.000 1.228 850 I HN 0.045 nan 8.210 nan 0.000 0.443 851 G N 3.279 112.065 108.800 -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 0.253 45.343 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 2.998 179.599 176.600 0.002 0.000 1.049 852 K CA 2.297 58.584 56.287 -0.001 0.000 0.933 852 K CB -0.445 32.057 32.500 0.003 0.000 0.717 852 K HN 0.795 nan 8.250 nan 0.000 0.442 853 T N -0.074 114.480 114.554 0.000 0.000 2.788 853 T HA -0.046 4.304 4.350 0.000 0.000 0.268 853 T C 1.113 175.804 174.700 -0.016 0.000 1.044 853 T CA 0.553 62.657 62.100 0.006 0.000 1.139 853 T CB -0.425 68.445 68.868 0.003 0.000 0.867 853 T HN 0.182 nan 8.240 nan 0.000 0.454 854 A N 2.579 125.376 122.820 -0.038 0.000 2.584 854 A HA 0.438 4.758 4.320 0.000 0.000 0.239 854 A C 0.736 178.247 177.584 -0.122 0.000 1.043 854 A CA -0.047 51.943 52.037 -0.077 0.000 0.756 854 A CB -0.412 18.548 19.000 -0.066 0.000 0.963 854 A HN 1.067 nan 8.150 nan 0.000 0.511 855 V N 1.833 121.602 119.914 -0.242 0.000 2.834 855 V HA 0.320 4.440 4.120 0.000 0.000 0.301 855 V C 0.045 175.939 176.094 -0.334 0.000 1.066 855 V CA -1.035 60.969 62.300 -0.493 0.000 1.052 855 V CB 0.966 32.245 31.823 -0.907 0.000 1.021 855 V HN 0.788 nan 8.190 nan 0.000 0.480 856 D N 3.582 123.814 120.400 -0.280 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 -0.123 0.000 0.876 856 D CB 0.975 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 2.025 117.650 115.700 -0.125 0.000 2.677 857 S HA 0.760 5.230 4.470 0.000 0.000 0.304 857 S C -0.264 174.280 174.600 -0.094 0.000 1.108 857 S CA -0.970 57.155 58.200 -0.125 0.000 0.944 857 S CB 2.208 65.335 63.200 -0.122 0.000 1.127 857 S HN 0.473 nan 8.310 nan 0.000 0.511 858 I N 0.452 120.964 120.570 -0.097 0.000 2.730 858 I HA 0.526 4.696 4.170 0.000 0.000 0.298 858 I C -1.078 174.988 176.117 -0.084 0.000 1.089 858 I CA -0.380 60.874 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 5.625 120.144 114.554 -0.060 0.000 2.867 859 T HA 0.431 4.781 4.350 0.000 0.000 0.282 859 T C -0.907 173.770 174.700 -0.038 0.000 1.000 859 T CA -0.474 61.589 62.100 -0.062 0.000 1.042 859 T CB 1.264 70.113 68.868 -0.032 0.000 0.973 859 T HN 0.498 nan 8.240 nan 0.000 0.465 860 Q N 1.877 121.639 119.800 -0.063 0.000 2.337 860 Q HA 0.528 4.868 4.340 0.000 0.000 0.270 860 Q C -0.879 175.225 176.000 0.173 0.000 1.043 860 Q CA -0.792 55.032 55.803 0.036 0.000 0.794 860 Q CB 2.778 31.513 28.738 -0.004 0.000 1.281 860 Q HN 0.404 nan 8.270 nan 0.000 0.446 861 K N 1.981 122.530 120.400 0.249 0.000 2.316 861 K HA 0.536 4.856 4.320 0.000 0.000 0.251 861 K C -0.992 175.781 176.600 0.288 0.000 0.934 861 K CA -0.489 55.973 56.287 0.291 0.000 0.802 861 K CB 1.741 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 0.801 121.347 120.400 0.243 0.000 2.544 862 K HA 0.513 4.833 4.320 0.000 0.000 0.282 862 K C -1.538 175.164 176.600 0.171 0.000 1.020 862 K CA -0.948 55.420 56.287 0.136 0.000 0.830 862 K CB 1.068 33.525 32.500 -0.072 0.000 1.521 862 K HN 0.422 nan 8.250 nan 0.000 0.376 863 F N -1.139 118.819 119.950 0.013 0.000 2.741 863 F HA 0.714 5.241 4.527 0.000 0.000 0.311 863 F C -2.375 173.436 175.800 0.017 0.000 1.149 863 F CA -1.170 56.829 58.000 -0.002 0.000 0.930 863 F CB 1.037 40.136 39.000 0.166 0.000 1.312 863 F HN 0.355 nan 8.300 nan 0.000 0.450 864 L N 1.910 123.219 121.223 0.142 0.000 2.341 864 L HA 0.748 5.088 4.340 0.000 0.000 0.267 864 L C -0.958 176.187 176.870 0.457 0.000 1.009 864 L CA -0.742 54.129 54.840 0.052 0.000 0.819 864 L CB 2.016 44.009 42.059 -0.111 0.000 1.323 864 L HN 1.020 nan 8.230 nan 0.000 0.425 865 C N 2.097 121.655 119.300 0.430 0.000 3.166 865 C HA 0.342 4.802 4.460 0.000 0.000 0.277 865 C C -0.689 174.469 174.990 0.279 0.000 0.984 865 C CA -0.843 58.431 59.018 0.426 0.000 1.142 865 C CB -0.962 27.162 27.740 0.639 0.000 1.721 865 C HN 0.793 nan 8.230 nan 0.000 0.628 866 D N 1.661 122.242 120.400 0.302 0.000 2.371 866 D HA 0.228 4.868 4.640 0.000 0.000 0.242 866 D C 0.981 177.508 176.300 0.378 0.000 1.218 866 D CA 0.135 54.369 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 -1.766 119.031 120.500 0.496 0.000 3.484 867 R HA -0.238 4.102 4.340 0.000 0.000 0.260 867 R C -0.668 175.917 176.300 0.475 0.000 1.053 867 R CA 0.961 57.362 56.100 0.502 0.000 0.703 867 R CB -2.547 28.039 30.300 0.477 0.000 1.089 867 R HN 0.354 nan 8.270 nan 0.000 0.459 868 T N -0.281 114.452 114.554 0.299 0.000 2.865 868 T HA 0.717 5.067 4.350 0.000 0.000 0.294 868 T C -1.001 173.590 174.700 -0.181 0.000 1.119 868 T CA -0.865 61.305 62.100 0.117 0.000 1.007 868 T CB 1.402 70.310 68.868 0.067 0.000 1.225 868 T HN 0.270 nan 8.240 nan 0.000 0.515 869 L N 1.897 122.952 121.223 -0.281 0.000 2.346 869 L HA 0.553 4.893 4.340 0.000 0.000 0.276 869 L C -0.615 175.989 176.870 -0.443 0.000 1.006 869 L CA -0.972 53.562 54.840 -0.509 0.000 0.817 869 L CB 1.759 43.545 42.059 -0.455 0.000 1.272 869 L HN 0.717 nan 8.230 nan 0.000 0.421 870 W N 2.773 123.710 121.300 -0.606 0.000 2.181 870 W HA 0.338 4.998 4.660 0.000 0.000 0.335 870 W C 0.244 176.370 176.519 -0.654 0.000 1.310 870 W CA -0.506 56.429 57.345 -0.684 0.000 1.226 870 W CB 0.610 29.313 29.460 -1.261 0.000 1.155 870 W HN 0.287 nan 8.180 nan 0.000 0.565 871 R N 3.192 123.570 120.500 -0.203 0.000 2.628 871 R HA 0.570 4.910 4.340 0.000 0.000 0.288 871 R C -1.046 175.136 176.300 -0.196 0.000 0.980 871 R CA -0.955 55.028 56.100 -0.194 0.000 0.891 871 R CB 1.873 32.040 30.300 -0.223 0.000 1.188 871 R HN 0.435 nan 8.270 nan 0.000 0.450 872 I N 4.197 124.780 120.570 0.021 0.000 2.583 872 I HA 0.264 4.434 4.170 0.000 0.000 0.276 872 I C -2.296 174.045 176.117 0.374 0.000 1.089 872 I CA -2.081 59.283 61.300 0.107 0.000 1.103 872 I CB 2.064 40.102 38.000 0.063 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 -0.482 177.125 177.300 0.512 0.000 1.228 873 P CA -0.257 63.008 63.100 0.274 0.000 0.786 873 P CB 1.012 32.821 31.700 0.182 0.000 0.927 874 F N 2.429 122.375 119.950 -0.008 0.000 2.640 874 F HA 0.298 4.825 4.527 0.000 0.000 0.354 874 F C 0.354 176.210 175.800 0.093 0.000 1.213 874 F CA -0.146 57.843 58.000 -0.019 0.000 1.314 874 F CB -0.595 38.139 39.000 -0.443 0.000 1.679 874 F HN 0.118 nan 8.300 nan 0.000 0.622 875 S N 0.707 116.525 115.700 0.197 0.000 2.538 875 S HA 0.326 4.796 4.470 0.000 0.000 0.288 875 S C 0.964 175.523 174.600 -0.068 0.000 1.108 875 S CA -0.512 57.706 58.200 0.030 0.000 0.971 875 S CB 1.613 64.858 63.200 0.075 0.000 1.041 875 S HN 0.318 nan 8.310 nan 0.000 0.483 876 S N 3.074 118.699 115.700 -0.125 0.000 2.420 876 S HA -0.139 4.331 4.470 0.000 0.000 0.237 876 S C 1.238 175.647 174.600 -0.320 0.000 1.023 876 S CA 1.899 59.982 58.200 -0.196 0.000 0.991 876 S CB -0.403 62.717 63.200 -0.133 0.000 0.792 876 S HN 0.882 nan 8.310 nan 0.000 0.488 877 N N -0.787 117.777 118.700 -0.228 0.000 2.197 877 N HA 0.212 4.952 4.740 0.000 0.000 0.228 877 N C 0.204 175.743 175.510 0.048 0.000 1.212 877 N CA -0.359 52.605 53.050 -0.143 0.000 0.883 877 N CB -0.850 37.614 38.487 -0.038 0.000 1.107 877 N HN 0.342 nan 8.380 nan 0.000 0.519 878 F N -1.244 118.788 119.950 0.136 0.000 2.825 878 F HA -0.307 4.220 4.527 0.000 0.000 0.358 878 F C 0.455 176.285 175.800 0.049 0.000 0.639 878 F CA 0.528 58.592 58.000 0.107 0.000 1.153 878 F CB -1.461 37.582 39.000 0.070 0.000 1.610 878 F HN 0.082 nan 8.300 nan 0.000 0.305 879 M N 0.079 119.801 119.600 0.204 0.000 2.283 879 M HA 0.303 4.783 4.480 0.000 0.000 0.314 879 M C 0.606 176.947 176.300 0.068 0.000 1.153 879 M CA 0.006 55.381 55.300 0.125 0.000 1.084 879 M CB 0.928 33.611 32.600 0.138 0.000 1.468 879 M HN -0.089 nan 8.290 nan 0.000 0.474 880 S N 2.196 117.917 115.700 0.036 0.000 2.411 880 S HA 0.407 4.877 4.470 0.000 0.000 0.294 880 S C 0.214 174.826 174.600 0.021 0.000 1.115 880 S CA -0.416 57.791 58.200 0.012 0.000 1.071 880 S CB 0.286 63.480 63.200 -0.011 0.000 0.967 880 S HN 0.651 nan 8.310 nan 0.000 0.488 881 M N 2.388 121.999 119.600 0.017 0.000 2.504 881 M HA 0.327 4.807 4.480 0.000 0.000 0.370 881 M C 0.513 176.822 176.300 0.016 0.000 1.110 881 M CA -0.202 55.108 55.300 0.017 0.000 0.938 881 M CB 0.978 33.585 32.600 0.013 0.000 1.460 881 M HN 0.817 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 0.286 4.246 3.960 0.000 0.000 0.348 882 G HA3 0.286 4.246 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 0.098 nan 8.290 nan 0.000 0.686 883 A N 0.448 123.303 122.820 0.059 0.000 1.892 883 A HA 0.108 4.428 4.320 0.000 0.000 0.218 883 A C 1.645 179.363 177.584 0.223 0.000 1.188 883 A CA 2.163 54.251 52.037 0.085 0.000 0.631 883 A CB -0.304 18.794 19.000 0.163 0.000 0.822 883 A HN 1.794 nan 8.150 nan 0.000 0.447 884 L N 2.286 123.679 121.223 0.283 0.000 2.334 884 L HA 0.292 4.632 4.340 0.000 0.000 0.286 884 L C 0.904 177.840 176.870 0.111 0.000 1.108 884 L CA 0.313 55.303 54.840 0.250 0.000 0.875 884 L CB -0.429 41.672 42.059 0.069 0.000 1.246 884 L HN 0.432 nan 8.230 nan 0.000 0.439 885 T N 0.024 114.634 114.554 0.092 0.000 2.795 885 T HA 0.048 4.398 4.350 0.000 0.000 0.314 885 T C 1.108 175.814 174.700 0.009 0.000 1.069 885 T CA 0.186 62.305 62.100 0.031 0.000 1.071 885 T CB 0.505 69.381 68.868 0.012 0.000 0.988 885 T HN 0.693 nan 8.240 nan 0.000 0.543 886 D N 1.230 121.617 120.400 -0.021 0.000 2.117 886 D HA -0.123 4.517 4.640 0.000 0.000 0.198 886 D C 2.075 178.344 176.300 -0.052 0.000 0.982 886 D CA 1.107 55.090 54.000 -0.029 0.000 0.828 886 D CB -0.607 40.173 40.800 -0.034 0.000 0.967 886 D HN 0.568 nan 8.370 nan 0.000 0.464 887 L N 0.396 121.528 121.223 -0.151 0.000 2.141 887 L HA 0.065 4.405 4.340 0.000 0.000 0.209 887 L C 2.673 179.377 176.870 -0.278 0.000 1.094 887 L CA 1.188 55.848 54.840 -0.301 0.000 0.763 887 L CB -0.683 40.842 42.059 -0.890 0.000 0.908 887 L HN 0.199 nan 8.230 nan 0.000 0.437 888 G N -0.533 108.220 108.800 -0.079 0.000 2.470 888 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 888 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 888 G C 1.384 176.322 174.900 0.064 0.000 1.121 888 G CA 0.603 45.735 45.100 0.053 0.000 0.766 888 G HN 0.506 nan 8.290 nan 0.000 0.553 889 Q N -0.091 119.740 119.800 0.052 0.000 2.172 889 Q HA 0.166 4.506 4.340 0.000 0.000 0.217 889 Q C 0.182 176.246 176.000 0.106 0.000 0.832 889 Q CA -0.485 55.361 55.803 0.072 0.000 1.010 889 Q CB -0.184 28.576 28.738 0.037 0.000 1.133 889 Q HN 0.394 nan 8.270 nan 0.000 0.489 890 N N 1.132 119.938 118.700 0.176 0.000 2.402 890 N HA 0.012 4.752 4.740 0.000 0.000 0.259 890 N C 1.116 176.766 175.510 0.234 0.000 1.167 890 N CA -0.229 52.956 53.050 0.226 0.000 0.949 890 N CB 0.363 39.053 38.487 0.338 0.000 1.212 890 N HN 0.260 nan 8.380 nan 0.000 0.493 891 L N 2.996 124.295 121.223 0.127 0.000 2.173 891 L HA -0.327 4.013 4.340 0.000 0.000 0.239 891 L C 2.207 179.133 176.870 0.093 0.000 1.123 891 L CA 1.883 56.782 54.840 0.097 0.000 0.847 891 L CB -1.352 40.740 42.059 0.055 0.000 0.940 891 L HN 0.711 nan 8.230 nan 0.000 0.450 892 L N -1.134 120.102 121.223 0.021 0.000 2.198 892 L HA -0.310 4.030 4.340 0.000 0.000 0.218 892 L C 2.110 178.892 176.870 -0.146 0.000 1.084 892 L CA 1.955 56.739 54.840 -0.094 0.000 0.779 892 L CB -0.679 41.233 42.059 -0.245 0.000 0.890 892 L HN 0.268 nan 8.230 nan 0.000 0.439 893 Y N -0.907 119.406 120.300 0.022 0.000 2.226 893 Y HA 0.184 4.734 4.550 0.000 0.000 0.275 893 Y C 2.577 178.562 175.900 0.141 0.000 1.087 893 Y CA 1.354 59.491 58.100 0.061 0.000 1.086 893 Y CB -1.331 37.202 38.460 0.121 0.000 1.026 893 Y HN 0.139 nan 8.280 nan 0.000 0.484 894 A N 1.435 124.442 122.820 0.312 0.000 1.884 894 A HA -0.344 3.976 4.320 0.000 0.000 0.219 894 A C 1.976 179.649 177.584 0.148 0.000 1.197 894 A CA 2.478 54.633 52.037 0.196 0.000 0.637 894 A CB -1.713 17.372 19.000 0.140 0.000 0.827 894 A HN 0.766 nan 8.150 nan 0.000 0.450 895 N N 0.170 118.947 118.700 0.128 0.000 2.090 895 N HA -0.238 4.502 4.740 0.000 0.000 0.196 895 N C 1.179 176.746 175.510 0.094 0.000 1.017 895 N CA 2.029 55.135 53.050 0.093 0.000 0.890 895 N CB -0.678 37.856 38.487 0.078 0.000 1.080 895 N HN 0.640 nan 8.380 nan 0.000 0.576 896 S N 0.133 115.908 115.700 0.124 0.000 2.768 896 S HA 0.787 5.257 4.470 0.000 0.000 0.300 896 S C -0.186 174.520 174.600 0.176 0.000 1.122 896 S CA -0.615 57.643 58.200 0.096 0.000 0.995 896 S CB 1.710 64.926 63.200 0.027 0.000 1.195 896 S HN 0.650 nan 8.310 nan 0.000 0.547 897 A N -0.237 122.636 122.820 0.089 0.000 2.247 897 A HA 0.833 5.153 4.320 0.000 0.000 0.313 897 A C -0.773 176.883 177.584 0.120 0.000 1.109 897 A CA -0.433 51.709 52.037 0.176 0.000 0.890 897 A CB 0.108 19.150 19.000 0.069 0.000 1.239 897 A HN 0.947 nan 8.150 nan 0.000 0.506 898 H N -2.460 116.802 119.070 0.320 0.000 3.094 898 H HA 0.569 5.125 4.556 0.000 0.000 0.346 898 H C -0.406 175.190 175.328 0.447 0.000 1.238 898 H CA 0.321 56.563 56.048 0.323 0.000 1.209 898 H CB 1.724 31.634 29.762 0.247 0.000 1.911 898 H HN 0.961 nan 8.280 nan 0.000 0.540 899 A N 1.790 124.846 122.820 0.393 0.000 2.312 899 A HA 0.675 4.995 4.320 0.000 0.000 0.328 899 A C -1.238 176.482 177.584 0.226 0.000 1.158 899 A CA -0.507 51.710 52.037 0.300 0.000 0.821 899 A CB 0.733 19.833 19.000 0.167 0.000 1.170 899 A HN 0.479 nan 8.150 nan 0.000 0.490 900 L N 1.233 122.550 121.223 0.156 0.000 2.365 900 L HA 0.676 5.016 4.340 0.000 0.000 0.273 900 L C -1.495 175.353 176.870 -0.037 0.000 1.000 900 L CA -0.200 54.573 54.840 -0.112 0.000 0.819 900 L CB 2.093 44.024 42.059 -0.213 0.000 1.284 900 L HN 0.629 nan 8.230 nan 0.000 0.418 901 D N 5.466 125.789 120.400 -0.128 0.000 2.646 901 D HA 0.528 5.168 4.640 0.000 0.000 0.245 901 D C -0.923 175.289 176.300 -0.146 0.000 1.099 901 D CA -0.073 53.882 54.000 -0.076 0.000 0.849 901 D CB 2.394 43.164 40.800 -0.049 0.000 1.448 901 D HN 0.520 nan 8.370 nan 0.000 0.489 902 M N 0.798 120.326 119.600 -0.121 0.000 2.457 902 M HA 0.327 4.807 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 54.703 55.300 -0.235 0.000 0.901 902 M CB 2.688 35.159 32.600 -0.214 0.000 1.687 902 M HN 0.092 nan 8.290 nan 0.000 0.449 903 T N 3.182 117.550 114.554 -0.309 0.000 2.906 903 T HA 0.561 4.911 4.350 0.000 0.000 0.302 903 T C -1.161 173.362 174.700 -0.295 0.000 1.002 903 T CA -0.360 61.635 62.100 -0.175 0.000 0.988 903 T CB 0.429 69.222 68.868 -0.125 0.000 0.972 903 T HN 0.265 nan 8.240 nan 0.000 0.447 904 F N 1.965 121.823 119.950 -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 -1.096 56.827 58.000 -0.128 0.000 1.049 904 F CB 1.368 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 3.008 123.260 120.200 0.087 0.000 2.176 905 E HA 0.651 5.001 4.350 0.000 0.000 0.267 905 E C -1.504 175.099 176.600 0.006 0.000 0.893 905 E CA -0.742 55.670 56.400 0.020 0.000 0.761 905 E CB 1.620 31.307 29.700 -0.022 0.000 1.133 905 E HN 0.532 nan 8.360 nan 0.000 0.409 906 V N 0.566 120.444 119.914 -0.061 0.000 3.141 906 V HA 0.546 4.666 4.120 0.000 0.000 0.312 906 V C -0.647 175.376 176.094 -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 3.140 123.456 120.400 -0.139 0.000 2.389 907 D HA 0.385 5.025 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 53.068 54.000 -0.088 0.000 0.884 907 D CB 1.147 41.898 40.800 -0.082 0.000 1.194 907 D HN 0.654 nan 8.370 nan 0.000 0.441 908 P HA 0.178 nan 4.420 nan 0.000 0.275 908 P C -0.657 176.626 177.300 -0.029 0.000 1.227 908 P CA -0.259 62.817 63.100 -0.040 0.000 0.781 908 P CB 0.929 32.617 31.700 -0.019 0.000 0.906 909 M N 2.015 121.598 119.600 -0.029 0.000 2.395 909 M HA 0.171 4.651 4.480 0.000 0.000 0.307 909 M C 0.150 176.450 176.300 0.000 0.000 1.091 909 M CA -0.608 54.686 55.300 -0.011 0.000 0.919 909 M CB 1.996 34.582 32.600 -0.025 0.000 1.662 909 M HN 0.248 nan 8.290 nan 0.000 0.440 910 D N 0.829 121.239 120.400 0.017 0.000 2.494 910 D HA 0.012 4.652 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 0.062 54.072 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 -1.835 118.367 120.200 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 -2.456 53.943 56.400 -0.002 0.000 0.790 911 E CB 0.945 30.648 29.700 0.005 0.000 1.248 911 E HN -0.224 nan 8.360 nan 0.000 0.447 912 P HA 0.063 nan 4.420 nan 0.000 0.263 912 P C -0.639 176.650 177.300 -0.018 0.000 1.195 912 P CA 0.472 63.561 63.100 -0.018 0.000 0.762 912 P CB 0.702 32.389 31.700 -0.022 0.000 0.799 913 T N 0.923 115.465 114.554 -0.020 0.000 2.773 913 T HA 0.805 5.155 4.350 0.000 0.000 0.278 913 T C -0.791 173.905 174.700 -0.006 0.000 1.011 913 T CA -0.903 61.186 62.100 -0.019 0.000 1.014 913 T CB 0.885 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 0.642 121.873 121.223 0.013 0.000 2.455 914 L HA 0.573 4.913 4.340 0.000 0.000 0.264 914 L C -1.387 175.540 176.870 0.096 0.000 0.968 914 L CA -1.215 53.652 54.840 0.046 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 3.073 124.367 121.223 0.117 0.000 2.260 915 L HA 0.306 4.646 4.340 0.000 0.000 0.289 915 L C -0.982 176.058 176.870 0.283 0.000 1.057 915 L CA 0.298 55.215 54.840 0.129 0.000 0.811 915 L CB 0.410 42.434 42.059 -0.057 0.000 1.184 915 L HN 0.492 nan 8.230 nan 0.000 0.429 916 Y N 5.880 126.272 120.300 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 -1.137 57.072 58.100 0.181 0.000 1.205 916 Y CB 1.039 39.622 38.460 0.206 0.000 1.121 916 Y HN 0.387 nan 8.280 nan 0.000 0.507 917 V N 7.492 127.632 119.914 0.377 0.000 2.417 917 V HA 0.269 4.389 4.120 0.000 0.000 0.291 917 V C -0.339 175.783 176.094 0.048 0.000 1.024 917 V CA -0.881 61.483 62.300 0.106 0.000 0.861 917 V CB 1.537 33.422 31.823 0.103 0.000 0.985 917 V HN 0.625 nan 8.190 nan 0.000 0.436 918 L N 5.228 126.351 121.223 -0.167 0.000 2.265 918 L HA 0.512 4.852 4.340 0.000 0.000 0.289 918 L C -0.680 176.101 176.870 -0.147 0.000 1.033 918 L CA 0.019 54.790 54.840 -0.115 0.000 0.814 918 L CB 0.939 42.858 42.059 -0.233 0.000 1.203 918 L HN 0.521 nan 8.230 nan 0.000 0.423 919 F N 2.047 121.983 119.950 -0.023 0.000 2.368 919 F HA 0.234 4.761 4.527 0.000 0.000 0.362 919 F C 1.119 176.851 175.800 -0.113 0.000 1.137 919 F CA -0.560 57.424 58.000 -0.027 0.000 1.161 919 F CB 0.593 39.397 39.000 -0.326 0.000 1.265 919 F HN 0.434 nan 8.300 nan 0.000 0.530 920 E N 3.511 123.646 120.200 -0.108 0.000 2.351 920 E HA 0.310 4.660 4.350 0.000 0.000 0.266 920 E C 0.009 176.472 176.600 -0.229 0.000 1.031 920 E CA -0.148 56.097 56.400 -0.259 0.000 0.911 920 E CB 0.899 30.358 29.700 -0.401 0.000 0.986 920 E HN 0.503 nan 8.360 nan 0.000 0.446 921 V N 0.164 119.961 119.914 -0.195 0.000 3.109 921 V HA 0.581 4.701 4.120 0.000 0.000 0.311 921 V C -1.200 174.701 176.094 -0.322 0.000 1.389 921 V CA -1.081 61.160 62.300 -0.099 0.000 1.034 921 V CB 1.067 32.955 31.823 0.107 0.000 1.105 921 V HN 0.414 nan 8.190 nan 0.000 0.477 922 F N 1.006 120.946 119.950 -0.015 0.000 2.426 922 F HA 0.690 5.217 4.527 0.000 0.000 0.348 922 F C -0.292 175.493 175.800 -0.024 0.000 1.124 922 F CA -0.141 57.835 58.000 -0.039 0.000 1.008 922 F CB 1.517 40.507 39.000 -0.016 0.000 1.139 922 F HN 0.583 nan 8.300 nan 0.000 0.452 923 D N 4.077 124.492 120.400 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 1.035 41.705 40.800 -0.217 0.000 1.039 923 D HN 0.152 nan 8.370 nan 0.000 0.516 924 V N 1.906 121.922 119.914 0.170 0.000 3.019 924 V HA 0.724 4.844 4.120 0.000 0.000 0.317 924 V C -0.059 176.186 176.094 0.251 0.000 1.094 924 V CA -0.868 61.561 62.300 0.214 0.000 1.000 924 V CB 2.349 34.261 31.823 0.149 0.000 1.060 924 V HN 0.232 nan 8.190 nan 0.000 0.443 925 V N 1.792 121.812 119.914 0.178 0.000 2.851 925 V HA 0.542 4.662 4.120 0.000 0.000 0.307 925 V C -0.579 175.502 176.094 -0.022 0.000 1.129 925 V CA -0.736 61.525 62.300 -0.065 0.000 0.932 925 V CB 2.073 33.708 31.823 -0.314 0.000 1.024 925 V HN 0.872 nan 8.190 nan 0.000 0.426 926 R N 2.580 123.044 120.500 -0.060 0.000 2.437 926 R HA 0.790 5.130 4.340 0.000 0.000 0.310 926 R C -1.617 174.681 176.300 -0.002 0.000 0.955 926 R CA -0.382 55.700 56.100 -0.031 0.000 0.851 926 R CB 1.924 32.206 30.300 -0.030 0.000 1.161 926 R HN 0.581 nan 8.270 nan 0.000 0.446 927 V N 4.547 124.486 119.914 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 61.732 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 5.492 124.575 119.070 0.022 0.000 2.489 928 H HA 0.559 5.115 4.556 0.000 0.000 0.343 928 H C -0.553 174.793 175.328 0.030 0.000 1.086 928 H CA -0.933 55.124 56.048 0.016 0.000 1.198 928 H CB 1.382 31.153 29.762 0.014 0.000 1.490 928 H HN 0.535 nan 8.280 nan 0.000 0.504 929 R N 5.674 125.988 120.500 -0.311 0.000 2.681 929 R HA 0.148 4.488 4.340 0.000 0.000 0.277 929 R C -2.038 174.022 176.300 -0.399 0.000 1.563 929 R CA -1.540 54.414 56.100 -0.244 0.000 1.673 929 R CB 1.230 31.495 30.300 -0.059 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 -0.324 176.511 177.300 -0.774 0.000 1.150 930 P CA 1.539 64.218 63.100 -0.702 0.000 0.843 930 P CB 0.411 31.772 31.700 -0.566 0.000 0.787 931 H N -3.373 115.648 119.070 -0.081 0.000 2.977 931 H HA 0.421 4.977 4.556 0.000 0.000 0.350 931 H C -0.040 175.277 175.328 -0.019 0.000 1.238 931 H CA -1.065 54.963 56.048 -0.034 0.000 1.124 931 H CB 0.957 30.705 29.762 -0.022 0.000 1.866 931 H HN -0.195 nan 8.280 nan 0.000 0.550 932 R N 0.752 121.325 120.500 0.123 0.000 2.504 932 R HA 0.147 4.487 4.340 0.000 0.000 0.291 932 R C 0.490 176.789 176.300 -0.002 0.000 0.974 932 R CA 1.445 57.575 56.100 0.051 0.000 1.077 932 R CB -0.432 29.885 30.300 0.028 0.000 0.926 932 R HN 1.063 nan 8.270 nan 0.000 0.407 933 G N 2.473 111.226 108.800 -0.080 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 -0.342 174.510 174.900 -0.081 0.000 0.997 933 G CA 0.255 45.192 45.100 -0.270 0.000 0.708 933 G HN 0.511 nan 8.290 nan 0.000 0.520 934 V N 1.214 121.169 119.914 0.068 0.000 2.487 934 V HA 0.676 4.796 4.120 0.000 0.000 0.298 934 V C 0.229 176.407 176.094 0.140 0.000 1.028 934 V CA -0.739 61.624 62.300 0.104 0.000 0.860 934 V CB 1.855 33.740 31.823 0.104 0.000 0.991 934 V HN 0.296 nan 8.190 nan 0.000 0.427 935 I N 4.398 125.064 120.570 0.160 0.000 2.439 935 I HA 0.518 4.688 4.170 0.000 0.000 0.285 935 I C -0.417 175.776 176.117 0.126 0.000 1.021 935 I CA -0.438 60.945 61.300 0.137 0.000 1.091 935 I CB 1.992 40.084 38.000 0.152 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 0.125 0.000 2.199 936 E HA 0.575 4.925 4.350 0.000 0.000 0.269 936 E C -0.743 175.945 176.600 0.146 0.000 0.899 936 E CA -0.786 55.703 56.400 0.149 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 -1.637 113.003 114.554 0.142 0.000 2.893 937 T HA 0.605 4.955 4.350 0.000 0.000 0.291 937 T C -0.575 174.195 174.700 0.118 0.000 1.028 937 T CA -0.792 61.365 62.100 0.096 0.000 0.995 937 T CB 1.369 70.283 68.868 0.076 0.000 1.051 937 T HN 0.146 nan 8.240 nan 0.000 0.470 938 V N 2.761 122.697 119.914 0.037 0.000 2.443 938 V HA 0.417 4.537 4.120 0.000 0.000 0.293 938 V C -1.347 174.781 176.094 0.055 0.000 1.021 938 V CA -0.904 61.451 62.300 0.092 0.000 0.848 938 V CB 0.767 32.624 31.823 0.055 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 -0.685 57.510 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 4.691 126.089 121.223 0.291 0.000 2.516 940 L HA 0.525 4.865 4.340 0.000 0.000 0.267 940 L C -1.414 175.582 176.870 0.209 0.000 0.957 940 L CA -0.746 54.215 54.840 0.201 0.000 0.860 940 L CB 1.643 43.777 42.059 0.125 0.000 1.265 940 L HN 0.659 nan 8.230 nan 0.000 0.403 941 R N 3.375 123.988 120.500 0.188 0.000 2.435 941 R HA 0.734 5.074 4.340 0.000 0.000 0.308 941 R C -1.498 174.899 176.300 0.163 0.000 0.975 941 R CA 0.005 56.214 56.100 0.183 0.000 0.867 941 R CB 1.265 31.674 30.300 0.181 0.000 1.171 941 R HN 0.827 nan 8.270 nan 0.000 0.470 942 T N 2.182 116.849 114.554 0.188 0.000 2.921 942 T HA 0.505 4.855 4.350 0.000 0.000 0.297 942 T C -2.802 172.050 174.700 0.254 0.000 1.013 942 T CA -1.984 60.217 62.100 0.169 0.000 0.990 942 T CB 2.454 71.386 68.868 0.107 0.000 1.023 942 T HN 0.236 nan 8.240 nan 0.000 0.447 943 P HA 0.457 nan 4.420 nan 0.000 0.296 943 P C -0.409 177.022 177.300 0.219 0.000 1.295 943 P CA -0.483 62.687 63.100 0.117 0.000 0.754 943 P CB -0.074 31.639 31.700 0.022 0.000 1.311 944 F N -2.745 117.082 119.950 -0.206 0.000 2.807 944 F HA -0.186 4.341 4.527 0.000 0.000 0.297 944 F C -0.068 175.691 175.800 -0.068 0.000 1.024 944 F CA 0.267 58.164 58.000 -0.171 0.000 1.008 944 F CB -2.643 36.265 39.000 -0.153 0.000 1.142 944 F HN -0.069 nan 8.300 nan 0.000 0.829 945 S N 0.894 116.608 115.700 0.025 0.000 2.474 945 S HA 0.587 5.057 4.470 0.000 0.000 0.276 945 S C 0.751 175.379 174.600 0.046 0.000 1.227 945 S CA -0.337 57.895 58.200 0.053 0.000 1.050 945 S CB 1.243 64.457 63.200 0.023 0.000 0.939 945 S HN 0.858 nan 8.310 nan 0.000 0.490 946 A N 3.472 126.338 122.820 0.077 0.000 2.320 946 A HA 0.338 4.658 4.320 0.000 0.000 0.309 946 A C 1.240 178.842 177.584 0.030 0.000 1.019 946 A CA 0.585 52.658 52.037 0.060 0.000 1.241 946 A CB -1.637 17.400 19.000 0.061 0.000 0.775 946 A HN 1.931 nan 8.150 nan 0.000 0.411 947 G N 3.416 112.225 108.800 0.016 0.000 3.379 947 G HA2 -0.176 3.784 3.960 0.000 0.000 0.653 947 G HA3 -0.176 3.784 3.960 0.000 0.000 0.653 947 G C 0.446 175.331 174.900 -0.025 0.000 0.872 947 G CA 0.053 45.150 45.100 -0.006 0.000 0.754 947 G HN 1.415 nan 8.290 nan 0.000 0.467 948 N N 2.231 120.899 118.700 -0.052 0.000 2.048 948 N HA -0.018 4.722 4.740 0.000 0.000 0.197 948 N C 1.367 176.855 175.510 -0.038 0.000 1.048 948 N CA 2.663 55.678 53.050 -0.058 0.000 0.887 948 N CB -0.844 37.581 38.487 -0.103 0.000 1.081 948 N HN 2.664 nan 8.380 nan 0.000 0.512 949 A N -0.330 122.454 122.820 -0.060 0.000 1.736 949 A HA 0.007 4.327 4.320 0.000 0.000 0.241 949 A C 0.393 178.005 177.584 0.047 0.000 1.265 949 A CA 0.609 52.661 52.037 0.025 0.000 0.638 949 A CB -2.174 16.860 19.000 0.058 0.000 1.317 949 A HN 1.091 nan 8.150 nan 0.000 0.231 950 T N 0.763 115.366 114.554 0.082 0.000 2.922 950 T HA 0.917 5.267 4.350 0.000 0.000 0.285 950 T C 0.214 174.983 174.700 0.114 0.000 1.005 950 T CA 0.815 62.965 62.100 0.085 0.000 1.061 950 T CB 1.699 70.611 68.868 0.073 0.000 1.007 950 T HN 2.691 nan 8.240 nan 0.000 0.502 951 T N 0.000 114.595 114.554 0.068 0.000 3.816 951 T HA 0.000 4.350 4.350 0.000 0.000 0.228 951 T CA 0.000 62.130 62.100 0.050 0.000 1.349 951 T CB 0.000 68.907 68.868 0.065 0.000 0.612 951 T HN 0.000 nan 8.240 nan 0.000 0.658