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 2bvi_1_H 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 IGXXXXXXKY ADKTFQPEPQ DATA SEQUENCE IGESQWYETE INHAAGRVLK KTTPMKPCYG SYAKPTNENG GQGILVXXXX DATA SEQUENCE XXXESQVEMQ FFSTTXXXXX XXXNLTPKVV LYSEDVDIET PDTHISYMPT DATA SEQUENCE IKEGNSRELM GQQSMPNRPN YIAFRDNFIG LMYYNSTGNM GVLAGQASQL DATA SEQUENCE NAVVDLQDRN TELSYQLLLD SIGDRTRYFS MWNQAVDSYD PDVRIIENHG DATA SEQUENCE TEDELPNYCF PLGGVINTET LTKVKPXXXX XXGWEKDAXX 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 SA 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 0.000 175.622 176.300 -1.130 0.000 1.140 5 M CA 0.000 54.517 55.300 -1.306 0.000 0.988 5 M CB 0.000 32.160 32.600 -0.733 0.000 1.302 6 M N 0.552 119.710 119.600 -0.736 0.000 5.905 6 M HA -0.276 4.204 4.480 0.000 0.000 0.326 6 M C -0.285 175.924 176.300 -0.151 0.000 0.705 6 M CA 2.897 58.019 55.300 -0.296 0.000 0.949 6 M CB -2.939 29.569 32.600 -0.153 0.000 1.421 6 M HN 0.737 nan 8.290 nan 0.000 0.862 7 P HA -0.257 nan 4.420 nan 0.000 0.216 7 P C 1.450 178.760 177.300 0.018 0.000 1.151 7 P CA 2.445 65.514 63.100 -0.052 0.000 0.953 7 P CB -0.477 31.172 31.700 -0.086 0.000 0.789 8 Q N -2.187 117.615 119.800 0.003 0.000 2.096 8 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 8 Q C 2.306 178.472 176.000 0.276 0.000 0.982 8 Q CA 1.536 57.414 55.803 0.125 0.000 0.850 8 Q CB -0.661 28.154 28.738 0.128 0.000 0.901 8 Q HN 0.339 nan 8.270 nan 0.000 0.422 9 W N 1.249 122.557 121.300 0.014 0.000 2.333 9 W HA -0.165 4.495 4.660 0.000 0.000 0.316 9 W C 2.634 179.143 176.519 -0.017 0.000 1.215 9 W CA 1.341 58.691 57.345 0.009 0.000 1.278 9 W CB -1.247 28.224 29.460 0.018 0.000 1.154 9 W HN 0.125 nan 8.180 nan 0.000 0.486 10 S N -1.045 114.784 115.700 0.215 0.000 2.368 10 S HA -0.239 4.231 4.470 0.000 0.000 0.224 10 S C 1.666 176.172 174.600 -0.157 0.000 1.029 10 S CA 1.303 59.544 58.200 0.069 0.000 0.988 10 S CB -1.304 61.946 63.200 0.083 0.000 0.838 10 S HN 0.264 nan 8.310 nan 0.000 0.462 11 Y N 2.140 122.325 120.300 -0.192 0.000 2.128 11 Y HA -0.072 4.478 4.550 0.000 0.000 0.284 11 Y C 2.116 177.741 175.900 -0.459 0.000 1.154 11 Y CA 1.437 59.358 58.100 -0.298 0.000 1.149 11 Y CB -0.241 38.133 38.460 -0.142 0.000 0.976 11 Y HN 0.111 nan 8.280 nan 0.000 0.505 12 M N -0.726 118.773 119.600 -0.168 0.000 2.618 12 M HA -0.018 4.462 4.480 0.000 0.000 0.240 12 M C 0.073 176.286 176.300 -0.144 0.000 1.123 12 M CA 0.889 56.099 55.300 -0.150 0.000 1.060 12 M CB -1.124 31.506 32.600 0.050 0.000 1.535 12 M HN 0.423 nan 8.290 nan 0.000 0.507 13 H N -1.980 117.053 119.070 -0.061 0.000 3.109 13 H HA -0.146 4.410 4.556 0.000 0.000 0.245 13 H C 1.339 176.663 175.328 -0.005 0.000 1.187 13 H CA 0.831 56.848 56.048 -0.052 0.000 1.136 13 H CB -2.257 27.451 29.762 -0.089 0.000 1.243 13 H HN 0.368 nan 8.280 nan 0.000 0.328 14 I N 0.468 121.067 120.570 0.050 0.000 2.493 14 I HA -0.141 4.029 4.170 0.000 0.000 0.254 14 I C 1.460 177.539 176.117 -0.063 0.000 1.160 14 I CA 1.518 62.777 61.300 -0.069 0.000 1.445 14 I CB 0.193 38.046 38.000 -0.244 0.000 1.086 14 I HN 0.421 nan 8.210 nan 0.000 0.433 15 S N -1.477 114.264 115.700 0.069 0.000 2.705 15 S HA 0.828 5.298 4.470 0.000 0.000 0.280 15 S C -0.125 174.582 174.600 0.178 0.000 1.174 15 S CA -0.159 58.114 58.200 0.122 0.000 0.823 15 S CB 1.519 64.843 63.200 0.206 0.000 1.162 15 S HN 0.486 nan 8.310 nan 0.000 0.487 16 G N 0.713 109.617 108.800 0.172 0.000 2.466 16 G HA2 -0.035 3.925 3.960 0.000 0.000 0.218 16 G HA3 -0.035 3.925 3.960 0.000 0.000 0.218 16 G C -0.960 174.052 174.900 0.188 0.000 1.237 16 G CA -0.169 45.038 45.100 0.178 0.000 0.954 16 G HN 1.048 nan 8.290 nan 0.000 0.580 17 Q N 0.461 120.406 119.800 0.241 0.000 2.382 17 Q HA 0.502 4.842 4.340 0.000 0.000 0.229 17 Q C -0.600 175.569 176.000 0.282 0.000 1.006 17 Q CA -0.417 55.530 55.803 0.239 0.000 0.916 17 Q CB 0.685 29.569 28.738 0.243 0.000 1.235 17 Q HN 0.511 nan 8.270 nan 0.000 0.512 18 D N -0.368 120.080 120.400 0.081 0.000 2.283 18 D HA 0.194 4.834 4.640 0.000 0.000 0.248 18 D C 0.593 176.609 176.300 -0.473 0.000 1.072 18 D CA -0.045 53.909 54.000 -0.076 0.000 0.929 18 D CB 1.395 42.146 40.800 -0.082 0.000 1.182 18 D HN 0.647 nan 8.370 nan 0.000 0.433 19 A N 1.429 123.815 122.820 -0.724 0.000 1.958 19 A HA -0.248 4.072 4.320 0.000 0.000 0.221 19 A C 2.027 179.126 177.584 -0.807 0.000 1.178 19 A CA 2.606 53.896 52.037 -1.246 0.000 0.642 19 A CB -0.769 17.854 19.000 -0.629 0.000 0.816 19 A HN 0.585 nan 8.150 nan 0.000 0.453 20 S N -0.081 115.358 115.700 -0.436 0.000 2.419 20 S HA -0.185 4.285 4.470 0.000 0.000 0.233 20 S C 1.463 175.927 174.600 -0.227 0.000 1.016 20 S CA 1.500 59.533 58.200 -0.277 0.000 0.974 20 S CB -0.361 62.737 63.200 -0.170 0.000 0.786 20 S HN 0.765 nan 8.310 nan 0.000 0.492 21 E N 0.336 120.402 120.200 -0.223 0.000 2.251 21 E HA 0.062 4.412 4.350 0.000 0.000 0.194 21 E C 1.859 178.436 176.600 -0.039 0.000 0.964 21 E CA 0.697 57.040 56.400 -0.096 0.000 0.868 21 E CB -0.300 29.386 29.700 -0.023 0.000 0.828 21 E HN 0.865 nan 8.360 nan 0.000 0.481 22 Y N 0.885 121.157 120.300 -0.046 0.000 2.365 22 Y HA 0.235 4.785 4.550 -0.000 0.000 0.293 22 Y C 0.812 176.675 175.900 -0.062 0.000 1.119 22 Y CA -0.156 57.929 58.100 -0.025 0.000 1.203 22 Y CB -0.510 37.975 38.460 0.041 0.000 1.026 22 Y HN -0.205 nan 8.280 nan 0.000 0.549 23 L N 1.846 122.963 121.223 -0.177 0.000 2.472 23 L HA 0.175 4.515 4.340 0.000 0.000 0.260 23 L C 1.008 177.821 176.870 -0.095 0.000 1.209 23 L CA -0.286 54.464 54.840 -0.149 0.000 0.817 23 L CB 0.452 42.257 42.059 -0.424 0.000 1.106 23 L HN 0.344 nan 8.230 nan 0.000 0.479 24 S N 0.797 116.453 115.700 -0.074 0.000 2.585 24 S HA 0.178 4.648 4.470 0.000 0.000 0.273 24 S C -1.800 172.762 174.600 -0.064 0.000 1.339 24 S CA -1.073 57.099 58.200 -0.046 0.000 1.028 24 S CB 1.032 64.216 63.200 -0.026 0.000 0.906 24 S HN 0.401 nan 8.310 nan 0.000 0.528 25 P HA 0.033 nan 4.420 nan 0.000 0.217 25 P C 1.701 178.991 177.300 -0.017 0.000 1.150 25 P CA 1.585 64.665 63.100 -0.034 0.000 0.832 25 P CB -0.549 31.140 31.700 -0.019 0.000 0.787 26 G N 0.324 109.120 108.800 -0.006 0.000 2.418 26 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 26 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 26 G C 1.482 176.408 174.900 0.045 0.000 1.158 26 G CA 0.640 45.753 45.100 0.023 0.000 0.771 26 G HN 0.240 nan 8.290 nan 0.000 0.545 27 L N 0.796 122.011 121.223 -0.013 0.000 2.046 27 L HA 0.009 4.349 4.340 0.000 0.000 0.208 27 L C 2.908 179.775 176.870 -0.005 0.000 1.077 27 L CA 1.417 56.238 54.840 -0.033 0.000 0.747 27 L CB -0.588 41.393 42.059 -0.130 0.000 0.896 27 L HN 0.077 nan 8.230 nan 0.000 0.432 28 V N -0.098 119.776 119.914 -0.068 0.000 2.287 28 V HA -0.375 3.745 4.120 0.000 0.000 0.248 28 V C 3.109 179.196 176.094 -0.011 0.000 1.053 28 V CA 2.382 64.634 62.300 -0.079 0.000 1.027 28 V CB -1.411 30.349 31.823 -0.106 0.000 0.646 28 V HN 0.721 nan 8.190 nan 0.000 0.447 29 Q N -0.862 118.948 119.800 0.017 0.000 2.030 29 Q HA -0.319 4.021 4.340 0.000 0.000 0.204 29 Q C 2.056 178.091 176.000 0.058 0.000 0.986 29 Q CA 2.347 58.167 55.803 0.027 0.000 0.843 29 Q CB -1.183 27.576 28.738 0.034 0.000 0.904 29 Q HN 0.695 nan 8.270 nan 0.000 0.420 30 F N 1.378 121.309 119.950 -0.032 0.000 2.091 30 F HA -0.049 4.478 4.527 -0.000 0.000 0.299 30 F C 2.589 178.373 175.800 -0.028 0.000 1.103 30 F CA 1.715 59.705 58.000 -0.017 0.000 1.228 30 F CB -0.673 38.326 39.000 -0.002 0.000 0.984 30 F HN 0.350 nan 8.300 nan 0.000 0.477 31 A N 0.588 123.580 122.820 0.287 0.000 1.892 31 A HA -0.240 4.080 4.320 0.000 0.000 0.218 31 A C 2.424 180.003 177.584 -0.009 0.000 1.188 31 A CA 3.004 55.138 52.037 0.162 0.000 0.631 31 A CB -1.559 17.493 19.000 0.086 0.000 0.822 31 A HN 0.480 nan 8.150 nan 0.000 0.447 32 R N -0.822 119.657 120.500 -0.034 0.000 2.096 32 R HA 0.164 4.504 4.340 0.000 0.000 0.235 32 R C 2.486 178.719 176.300 -0.112 0.000 1.127 32 R CA 2.218 58.278 56.100 -0.067 0.000 0.968 32 R CB -1.646 28.624 30.300 -0.051 0.000 0.861 32 R HN 0.967 nan 8.270 nan 0.000 0.440 33 A N 0.662 123.387 122.820 -0.159 0.000 1.970 33 A HA -0.062 4.258 4.320 0.000 0.000 0.216 33 A C 2.519 179.906 177.584 -0.328 0.000 1.170 33 A CA 2.041 53.957 52.037 -0.202 0.000 0.645 33 A CB -0.491 18.384 19.000 -0.207 0.000 0.816 33 A HN 0.675 nan 8.150 nan 0.000 0.447 34 T N -3.339 110.914 114.554 -0.501 0.000 3.067 34 T HA 0.238 4.588 4.350 0.000 0.000 0.257 34 T C 1.708 176.011 174.700 -0.663 0.000 1.105 34 T CA 1.487 63.079 62.100 -0.846 0.000 1.104 34 T CB -0.349 68.132 68.868 -0.645 0.000 0.925 34 T HN 0.615 nan 8.240 nan 0.000 0.498 35 E N 2.518 122.529 120.200 -0.314 0.000 2.170 35 E HA -0.347 4.003 4.350 0.000 0.000 0.229 35 E C 2.227 178.730 176.600 -0.162 0.000 1.074 35 E CA 2.910 59.201 56.400 -0.182 0.000 0.930 35 E CB -2.264 27.370 29.700 -0.110 0.000 0.806 35 E HN 0.957 nan 8.360 nan 0.000 0.478 36 T N -2.336 112.139 114.554 -0.131 0.000 3.007 36 T HA -0.030 4.320 4.350 0.000 0.000 0.270 36 T C 1.813 176.562 174.700 0.082 0.000 1.107 36 T CA 1.623 63.718 62.100 -0.007 0.000 1.118 36 T CB -0.474 68.429 68.868 0.059 0.000 0.889 36 T HN 0.915 nan 8.240 nan 0.000 0.506 37 Y N -1.647 118.684 120.300 0.052 0.000 2.423 37 Y HA 0.685 5.235 4.550 0.000 0.000 0.257 37 Y C 0.162 176.190 175.900 0.213 0.000 1.087 37 Y CA -2.068 56.089 58.100 0.095 0.000 1.258 37 Y CB 0.645 39.147 38.460 0.069 0.000 1.237 37 Y HN 0.137 nan 8.280 nan 0.000 0.517 38 F N 2.041 121.897 119.950 -0.156 0.000 3.240 38 F HA 0.465 4.992 4.527 0.000 0.000 0.370 38 F C -0.856 174.904 175.800 -0.067 0.000 1.271 38 F CA -1.398 56.577 58.000 -0.042 0.000 1.224 38 F CB 0.945 39.977 39.000 0.052 0.000 1.624 38 F HN -0.006 nan 8.300 nan 0.000 0.658 39 S N 5.866 121.339 115.700 -0.378 0.000 2.525 39 S HA 0.592 5.062 4.470 0.000 0.000 0.278 39 S C 0.142 174.588 174.600 -0.255 0.000 1.234 39 S CA -0.540 57.513 58.200 -0.244 0.000 1.058 39 S CB 1.259 64.374 63.200 -0.142 0.000 0.983 39 S HN 0.754 nan 8.310 nan 0.000 0.495 40 L N 2.956 124.160 121.223 -0.032 0.000 2.766 40 L HA 0.262 4.602 4.340 0.000 0.000 0.242 40 L C 2.717 179.682 176.870 0.159 0.000 1.136 40 L CA 0.413 55.314 54.840 0.101 0.000 0.933 40 L CB -1.174 41.084 42.059 0.332 0.000 1.241 40 L HN 0.871 nan 8.230 nan 0.000 0.522 41 N N 1.729 120.473 118.700 0.074 0.000 2.094 41 N HA -0.255 4.485 4.740 0.000 0.000 0.191 41 N C 1.482 177.016 175.510 0.040 0.000 1.023 41 N CA 1.920 55.018 53.050 0.079 0.000 0.857 41 N CB -0.919 37.575 38.487 0.012 0.000 1.013 41 N HN 0.572 nan 8.380 nan 0.000 0.426 42 N N 0.498 119.171 118.700 -0.045 0.000 2.501 42 N HA -0.072 4.668 4.740 0.000 0.000 0.195 42 N C 0.376 175.792 175.510 -0.157 0.000 1.213 42 N CA 0.582 53.584 53.050 -0.080 0.000 0.864 42 N CB -0.008 38.429 38.487 -0.082 0.000 0.999 42 N HN 0.707 nan 8.380 nan 0.000 0.454 43 K N -0.507 119.719 120.400 -0.290 0.000 2.387 43 K HA 0.185 4.505 4.320 0.000 0.000 0.203 43 K C -0.826 175.256 176.600 -0.863 0.000 1.030 43 K CA -0.232 55.707 56.287 -0.580 0.000 1.099 43 K CB 0.214 32.304 32.500 -0.682 0.000 0.863 43 K HN 0.008 nan 8.250 nan 0.000 0.529 44 F N 2.996 122.941 119.950 -0.008 0.000 2.539 44 F HA 0.338 4.865 4.527 0.000 0.000 0.328 44 F C 0.089 175.893 175.800 0.007 0.000 1.148 44 F CA -1.262 56.748 58.000 0.017 0.000 0.940 44 F CB 1.362 40.351 39.000 -0.018 0.000 1.194 44 F HN -0.090 nan 8.300 nan 0.000 0.438 45 R N 1.578 122.181 120.500 0.172 0.000 2.539 45 R HA 0.445 4.785 4.340 0.000 0.000 0.275 45 R C -0.988 175.386 176.300 0.123 0.000 1.077 45 R CA -0.502 55.665 56.100 0.111 0.000 1.097 45 R CB 0.605 30.955 30.300 0.084 0.000 1.018 45 R HN 0.445 nan 8.270 nan 0.000 0.483 46 N N 3.530 122.276 118.700 0.076 0.000 2.524 46 N HA 0.277 5.017 4.740 0.000 0.000 0.261 46 N C -2.442 173.103 175.510 0.060 0.000 0.998 46 N CA -1.452 51.635 53.050 0.061 0.000 0.915 46 N CB 1.823 40.316 38.487 0.009 0.000 1.187 46 N HN 0.542 nan 8.380 nan 0.000 0.507 47 P HA 0.130 nan 4.420 nan 0.000 0.272 47 P C -0.429 176.889 177.300 0.032 0.000 1.223 47 P CA -0.107 63.030 63.100 0.061 0.000 0.784 47 P CB 0.505 32.262 31.700 0.094 0.000 0.923 48 T N -1.352 113.205 114.554 0.005 0.000 2.906 48 T HA 0.496 4.846 4.350 0.000 0.000 0.302 48 T C -0.581 174.109 174.700 -0.018 0.000 1.002 48 T CA -0.685 61.413 62.100 -0.003 0.000 0.988 48 T CB 0.318 69.180 68.868 -0.009 0.000 0.972 48 T HN 0.109 nan 8.240 nan 0.000 0.447 49 V N 2.836 122.747 119.914 -0.005 0.000 2.384 49 V HA 0.773 4.893 4.120 0.000 0.000 0.287 49 V C 0.849 176.940 176.094 -0.004 0.000 1.020 49 V CA -1.045 61.250 62.300 -0.009 0.000 0.850 49 V CB 1.122 32.955 31.823 0.018 0.000 0.987 49 V HN 1.233 nan 8.190 nan 0.000 0.436 50 A N 7.111 129.925 122.820 -0.011 0.000 2.386 50 A HA 0.698 5.018 4.320 0.000 0.000 0.248 50 A C -2.012 175.568 177.584 -0.006 0.000 1.082 50 A CA -0.931 51.103 52.037 -0.005 0.000 0.789 50 A CB -0.290 18.708 19.000 -0.004 0.000 1.025 50 A HN 0.711 nan 8.150 nan 0.000 0.490 51 P HA 0.234 nan 4.420 nan 0.000 0.275 51 P C 0.567 177.832 177.300 -0.059 0.000 1.228 51 P CA 0.054 63.110 63.100 -0.074 0.000 0.786 51 P CB 0.732 32.367 31.700 -0.107 0.000 0.927 52 T N -2.564 111.942 114.554 -0.081 0.000 3.023 52 T HA 0.162 4.512 4.350 0.000 0.000 0.253 52 T C 0.364 175.113 174.700 0.082 0.000 1.038 52 T CA 0.065 62.182 62.100 0.028 0.000 0.962 52 T CB -0.656 68.280 68.868 0.114 0.000 1.018 52 T HN 0.722 nan 8.240 nan 0.000 0.521 53 H N -1.922 117.180 119.070 0.052 0.000 3.016 53 H HA 0.629 5.185 4.556 0.000 0.000 0.362 53 H C -0.932 174.431 175.328 0.059 0.000 1.233 53 H CA -0.805 55.273 56.048 0.050 0.000 1.124 53 H CB 0.531 30.319 29.762 0.042 0.000 1.850 53 H HN -0.127 nan 8.280 nan 0.000 0.549 54 D N 0.418 120.941 120.400 0.205 0.000 2.870 54 D HA -0.149 4.491 4.640 0.000 0.000 0.228 54 D C 0.229 176.600 176.300 0.118 0.000 1.147 54 D CA 1.133 55.230 54.000 0.161 0.000 0.757 54 D CB -1.412 39.509 40.800 0.202 0.000 1.091 54 D HN 0.371 nan 8.370 nan 0.000 0.429 55 V N -1.312 118.677 119.914 0.125 0.000 3.161 55 V HA 0.094 4.214 4.120 0.000 0.000 0.221 55 V C 1.096 177.345 176.094 0.259 0.000 1.296 55 V CA 1.218 63.628 62.300 0.184 0.000 1.306 55 V CB 1.041 32.953 31.823 0.149 0.000 1.171 55 V HN 0.119 nan 8.190 nan 0.000 0.513 56 T N 1.008 115.647 114.554 0.142 0.000 2.932 56 T HA 0.496 4.846 4.350 0.000 0.000 0.289 56 T C -0.158 174.567 174.700 0.042 0.000 1.039 56 T CA -0.219 61.923 62.100 0.071 0.000 1.024 56 T CB 1.812 70.669 68.868 -0.019 0.000 1.090 56 T HN 0.384 nan 8.240 nan 0.000 0.496 57 T N 1.064 115.621 114.554 0.004 0.000 2.882 57 T HA 0.270 4.620 4.350 0.000 0.000 0.287 57 T C 0.321 174.978 174.700 -0.072 0.000 1.014 57 T CA -0.689 61.367 62.100 -0.073 0.000 1.049 57 T CB 0.744 69.530 68.868 -0.137 0.000 1.001 57 T HN 0.443 nan 8.240 nan 0.000 0.525 58 D N -0.005 120.333 120.400 -0.102 0.000 2.423 58 D HA 0.116 4.756 4.640 0.000 0.000 0.208 58 D C 0.672 176.927 176.300 -0.076 0.000 1.068 58 D CA 0.165 54.126 54.000 -0.066 0.000 0.860 58 D CB 0.390 41.160 40.800 -0.050 0.000 0.992 58 D HN 0.363 nan 8.370 nan 0.000 0.504 59 R N 0.329 120.750 120.500 -0.131 0.000 2.637 59 R HA 0.307 4.647 4.340 0.000 0.000 0.269 59 R C 0.461 176.729 176.300 -0.054 0.000 1.089 59 R CA -0.194 55.842 56.100 -0.107 0.000 1.177 59 R CB 0.470 30.664 30.300 -0.177 0.000 1.091 59 R HN -0.199 nan 8.270 nan 0.000 0.540 60 S N 0.852 116.537 115.700 -0.024 0.000 2.533 60 S HA 0.063 4.533 4.470 0.000 0.000 0.282 60 S C -0.638 173.964 174.600 0.004 0.000 1.304 60 S CA 0.028 58.223 58.200 -0.009 0.000 1.063 60 S CB 0.120 63.317 63.200 -0.005 0.000 0.881 60 S HN 0.464 nan 8.310 nan 0.000 0.493 61 Q N 3.222 123.021 119.800 -0.002 0.000 2.518 61 Q HA 0.218 4.558 4.340 0.000 0.000 0.254 61 Q C -1.346 174.647 176.000 -0.012 0.000 0.962 61 Q CA -0.769 55.033 55.803 -0.003 0.000 0.982 61 Q CB 0.781 29.539 28.738 0.033 0.000 1.516 61 Q HN 0.584 nan 8.270 nan 0.000 0.426 62 R N 3.013 123.493 120.500 -0.032 0.000 2.539 62 R HA 0.250 4.590 4.340 0.000 0.000 0.275 62 R C 0.728 177.045 176.300 0.027 0.000 1.077 62 R CA 0.119 56.212 56.100 -0.012 0.000 1.097 62 R CB 0.615 30.894 30.300 -0.035 0.000 1.018 62 R HN 0.729 nan 8.270 nan 0.000 0.483 63 L N 0.439 121.704 121.223 0.070 0.000 2.202 63 L HA 0.061 4.401 4.340 0.000 0.000 0.205 63 L C 0.675 177.684 176.870 0.233 0.000 1.083 63 L CA 1.038 55.958 54.840 0.133 0.000 0.790 63 L CB 0.042 42.155 42.059 0.089 0.000 0.942 63 L HN 0.486 nan 8.230 nan 0.000 0.452 64 T N 1.421 116.086 114.554 0.184 0.000 2.824 64 T HA 0.608 4.958 4.350 0.000 0.000 0.282 64 T C -0.494 174.289 174.700 0.138 0.000 0.993 64 T CA -0.363 61.874 62.100 0.228 0.000 0.967 64 T CB 2.171 71.179 68.868 0.234 0.000 0.960 64 T HN -0.092 nan 8.240 nan 0.000 0.441 65 L N 3.092 124.390 121.223 0.125 0.000 2.342 65 L HA 0.726 5.066 4.340 0.000 0.000 0.271 65 L C 0.134 176.761 176.870 -0.406 0.000 1.008 65 L CA -1.194 53.546 54.840 -0.166 0.000 0.818 65 L CB 2.024 43.936 42.059 -0.245 0.000 1.296 65 L HN 0.552 nan 8.230 nan 0.000 0.427 66 R N 1.400 121.497 120.500 -0.671 0.000 2.561 66 R HA 0.647 4.987 4.340 0.000 0.000 0.297 66 R C -1.980 173.864 176.300 -0.759 0.000 0.969 66 R CA -0.487 55.104 56.100 -0.848 0.000 0.879 66 R CB 1.445 31.119 30.300 -1.044 0.000 1.178 66 R HN 0.300 nan 8.270 nan 0.000 0.445 67 F N 3.519 123.334 119.950 -0.225 0.000 2.469 67 F HA 0.464 4.991 4.527 0.000 0.000 0.332 67 F C 0.155 176.054 175.800 0.165 0.000 1.103 67 F CA -1.212 56.793 58.000 0.009 0.000 0.979 67 F CB 1.451 40.505 39.000 0.091 0.000 1.137 67 F HN 0.258 nan 8.300 nan 0.000 0.463 68 I N 4.045 124.834 120.570 0.366 0.000 2.488 68 I HA 0.334 4.504 4.170 0.000 0.000 0.299 68 I C -2.168 174.132 176.117 0.305 0.000 0.984 68 I CA -3.556 57.923 61.300 0.298 0.000 1.250 68 I CB 0.802 38.884 38.000 0.136 0.000 1.389 68 I HN 0.286 nan 8.210 nan 0.000 0.488 69 P HA 0.110 nan 4.420 nan 0.000 0.271 69 P C 0.849 178.053 177.300 -0.159 0.000 1.216 69 P CA -0.033 62.840 63.100 -0.380 0.000 0.771 69 P CB 1.162 32.550 31.700 -0.520 0.000 0.864 70 V N 1.502 121.314 119.914 -0.169 0.000 2.649 70 V HA -0.039 4.081 4.120 0.000 0.000 0.248 70 V C 0.549 176.586 176.094 -0.095 0.000 1.054 70 V CA 1.794 64.051 62.300 -0.072 0.000 1.073 70 V CB -0.515 31.294 31.823 -0.023 0.000 0.699 70 V HN 0.659 nan 8.190 nan 0.000 0.463 71 D N -1.249 119.057 120.400 -0.156 0.000 2.977 71 D HA 0.583 5.223 4.640 0.000 0.000 0.220 71 D C -0.422 175.766 176.300 -0.186 0.000 1.267 71 D CA -0.081 53.834 54.000 -0.142 0.000 0.884 71 D CB 1.405 42.137 40.800 -0.113 0.000 1.667 71 D HN 0.178 nan 8.370 nan 0.000 0.536 72 R N 2.011 122.408 120.500 -0.171 0.000 2.744 72 R HA 0.844 5.184 4.340 0.000 0.000 0.279 72 R C -0.800 175.334 176.300 -0.277 0.000 0.977 72 R CA -0.827 55.142 56.100 -0.218 0.000 0.906 72 R CB 1.200 31.406 30.300 -0.156 0.000 1.197 72 R HN 0.577 nan 8.270 nan 0.000 0.463 73 E N 1.815 121.763 120.200 -0.419 0.000 2.502 73 E HA 0.145 4.495 4.350 0.000 0.000 0.261 73 E C -1.660 174.609 176.600 -0.552 0.000 0.974 73 E CA -0.873 55.296 56.400 -0.385 0.000 0.795 73 E CB 1.832 31.380 29.700 -0.253 0.000 1.385 73 E HN 0.628 nan 8.360 nan 0.000 0.400 74 D N 2.333 122.406 120.400 -0.546 0.000 2.352 74 D HA 0.140 4.780 4.640 0.000 0.000 0.245 74 D C -0.447 175.735 176.300 -0.197 0.000 1.224 74 D CA 0.481 54.228 54.000 -0.421 0.000 0.879 74 D CB 0.930 41.612 40.800 -0.197 0.000 1.057 74 D HN 0.155 nan 8.370 nan 0.000 0.491 75 T N 1.512 115.970 114.554 -0.160 0.000 2.889 75 T HA 0.527 4.877 4.350 0.000 0.000 0.278 75 T C 1.419 176.030 174.700 -0.148 0.000 0.995 75 T CA -0.033 61.959 62.100 -0.181 0.000 0.966 75 T CB 1.412 70.118 68.868 -0.271 0.000 1.237 75 T HN 0.302 nan 8.240 nan 0.000 0.591 76 A N 0.353 123.041 122.820 -0.220 0.000 1.873 76 A HA -0.107 4.213 4.320 0.000 0.000 0.218 76 A C 1.448 178.997 177.584 -0.059 0.000 1.193 76 A CA 2.163 54.114 52.037 -0.143 0.000 0.629 76 A CB -0.877 18.050 19.000 -0.122 0.000 0.826 76 A HN 0.932 nan 8.150 nan 0.000 0.447 77 Y N -1.759 118.544 120.300 0.004 0.000 2.675 77 Y HA 0.536 5.086 4.550 0.000 0.000 0.248 77 Y C 0.283 176.332 175.900 0.248 0.000 1.161 77 Y CA -0.447 57.705 58.100 0.087 0.000 1.203 77 Y CB -0.472 37.993 38.460 0.007 0.000 1.262 77 Y HN 0.349 nan 8.280 nan 0.000 0.544 78 S N -0.951 114.786 115.700 0.062 0.000 2.656 78 S HA 0.651 5.121 4.470 0.000 0.000 0.273 78 S C -2.045 172.716 174.600 0.268 0.000 1.168 78 S CA -0.722 57.646 58.200 0.280 0.000 0.817 78 S CB 2.287 65.660 63.200 0.287 0.000 1.146 78 S HN 0.246 nan 8.310 nan 0.000 0.475 79 Y N 0.380 120.822 120.300 0.237 0.000 2.386 79 Y HA 0.671 5.221 4.550 0.000 0.000 0.334 79 Y C -0.808 175.202 175.900 0.184 0.000 1.002 79 Y CA -0.492 57.718 58.100 0.184 0.000 1.068 79 Y CB 1.886 40.478 38.460 0.220 0.000 1.203 79 Y HN 0.967 nan 8.280 nan 0.000 0.443 80 K N 3.944 124.368 120.400 0.040 0.000 2.274 80 K HA 0.892 5.212 4.320 0.000 0.000 0.262 80 K C -1.623 174.996 176.600 0.030 0.000 0.961 80 K CA -0.561 55.751 56.287 0.042 0.000 0.833 80 K CB 1.191 33.625 32.500 -0.109 0.000 1.102 80 K HN 0.668 nan 8.250 nan 0.000 0.436 81 A N 4.349 127.239 122.820 0.116 0.000 2.343 81 A HA 0.565 4.885 4.320 0.000 0.000 0.308 81 A C -1.210 176.246 177.584 -0.213 0.000 1.092 81 A CA -0.798 51.199 52.037 -0.066 0.000 0.751 81 A CB 1.079 20.093 19.000 0.024 0.000 1.203 81 A HN 0.785 nan 8.150 nan 0.000 0.452 82 R N 2.288 122.534 120.500 -0.423 0.000 2.437 82 R HA 0.714 5.054 4.340 0.000 0.000 0.310 82 R C -1.782 174.240 176.300 -0.463 0.000 0.955 82 R CA -0.313 55.619 56.100 -0.279 0.000 0.851 82 R CB 0.811 31.035 30.300 -0.126 0.000 1.161 82 R HN 0.593 nan 8.270 nan 0.000 0.446 83 F N 0.234 120.255 119.950 0.119 0.000 2.611 83 F HA 0.403 4.930 4.527 0.000 0.000 0.324 83 F C 0.252 176.114 175.800 0.102 0.000 1.061 83 F CA -0.929 57.148 58.000 0.128 0.000 0.954 83 F CB 2.403 41.502 39.000 0.165 0.000 1.301 83 F HN 0.246 nan 8.300 nan 0.000 0.482 84 T N 3.228 117.945 114.554 0.270 0.000 3.149 84 T HA 0.276 4.626 4.350 0.000 0.000 0.373 84 T C -0.714 173.955 174.700 -0.052 0.000 1.364 84 T CA -0.317 61.866 62.100 0.138 0.000 1.110 84 T CB -0.024 68.922 68.868 0.130 0.000 1.127 84 T HN 0.352 nan 8.240 nan 0.000 0.576 85 L N 4.159 125.319 121.223 -0.105 0.000 2.485 85 L HA 0.571 4.911 4.340 0.000 0.000 0.279 85 L C 0.109 176.921 176.870 -0.098 0.000 1.124 85 L CA -0.302 54.287 54.840 -0.418 0.000 0.888 85 L CB -0.798 41.137 42.059 -0.206 0.000 1.217 85 L HN 0.559 nan 8.230 nan 0.000 0.464 86 A N 5.517 128.274 122.820 -0.106 0.000 2.287 86 A HA 0.675 4.995 4.320 0.000 0.000 0.317 86 A C -0.791 176.978 177.584 0.309 0.000 1.220 86 A CA -0.598 51.547 52.037 0.180 0.000 0.835 86 A CB 1.028 20.152 19.000 0.207 0.000 1.180 86 A HN 0.489 nan 8.150 nan 0.000 0.500 87 V N 3.564 123.665 119.914 0.311 0.000 2.294 87 V HA 0.474 4.594 4.120 0.000 0.000 0.272 87 V C 1.171 177.374 176.094 0.182 0.000 1.027 87 V CA -0.151 62.355 62.300 0.343 0.000 0.823 87 V CB 0.732 32.796 31.823 0.402 0.000 1.030 87 V HN 1.082 nan 8.190 nan 0.000 0.457 88 G N 3.221 112.070 108.800 0.081 0.000 2.664 88 G HA2 0.140 4.100 3.960 0.000 0.000 0.242 88 G HA3 0.140 4.100 3.960 0.000 0.000 0.242 88 G C -0.148 174.751 174.900 -0.002 0.000 1.225 88 G CA -0.446 44.657 45.100 0.006 0.000 0.849 88 G HN 0.642 nan 8.290 nan 0.000 0.581 89 D N 0.687 121.068 120.400 -0.032 0.000 2.443 89 D HA 0.014 4.654 4.640 0.000 0.000 0.239 89 D C 0.444 176.656 176.300 -0.146 0.000 1.136 89 D CA 0.492 54.460 54.000 -0.054 0.000 0.879 89 D CB 0.511 41.282 40.800 -0.047 0.000 1.195 89 D HN 0.422 nan 8.370 nan 0.000 0.443 90 N N 1.473 120.091 118.700 -0.136 0.000 2.818 90 N HA -0.187 4.553 4.740 0.000 0.000 0.250 90 N C -0.572 174.842 175.510 -0.160 0.000 1.108 90 N CA 0.776 53.679 53.050 -0.245 0.000 0.745 90 N CB -0.597 37.482 38.487 -0.680 0.000 1.104 90 N HN 0.540 nan 8.380 nan 0.000 0.557 91 R N -0.463 120.029 120.500 -0.013 0.000 2.740 91 R HA 0.738 5.079 4.340 0.000 0.000 0.273 91 R C -0.433 175.980 176.300 0.188 0.000 0.998 91 R CA -0.875 55.294 56.100 0.116 0.000 0.900 91 R CB 2.492 32.853 30.300 0.101 0.000 1.223 91 R HN -0.003 nan 8.270 nan 0.000 0.466 92 V N -0.466 119.606 119.914 0.264 0.000 2.841 92 V HA 0.712 4.832 4.120 0.000 0.000 0.310 92 V C -1.354 174.846 176.094 0.176 0.000 1.090 92 V CA -1.049 61.362 62.300 0.186 0.000 0.930 92 V CB 1.959 33.842 31.823 0.101 0.000 1.014 92 V HN 0.603 nan 8.190 nan 0.000 0.425 93 L N 2.587 123.818 121.223 0.014 0.000 2.381 93 L HA 0.700 5.040 4.340 0.000 0.000 0.274 93 L C -0.712 176.042 176.870 -0.195 0.000 0.988 93 L CA 0.053 54.753 54.840 -0.234 0.000 0.824 93 L CB 1.671 43.495 42.059 -0.392 0.000 1.263 93 L HN 0.921 nan 8.230 nan 0.000 0.410 94 D N 5.498 125.788 120.400 -0.182 0.000 2.380 94 D HA 0.122 4.762 4.640 0.000 0.000 0.230 94 D C 1.224 177.424 176.300 -0.167 0.000 1.154 94 D CA -0.314 53.610 54.000 -0.127 0.000 0.859 94 D CB 1.026 41.792 40.800 -0.057 0.000 1.045 94 D HN 0.582 nan 8.370 nan 0.000 0.495 95 M N 2.831 122.312 119.600 -0.199 0.000 2.192 95 M HA -0.210 4.270 4.480 0.000 0.000 0.259 95 M C 1.920 178.117 176.300 -0.172 0.000 1.071 95 M CA 0.933 56.091 55.300 -0.237 0.000 1.082 95 M CB -1.205 31.223 32.600 -0.287 0.000 1.373 95 M HN 0.512 nan 8.290 nan 0.000 0.408 96 A N -0.015 122.735 122.820 -0.116 0.000 2.076 96 A HA -0.105 4.215 4.320 0.000 0.000 0.220 96 A C 2.185 179.774 177.584 0.008 0.000 1.160 96 A CA 1.882 53.883 52.037 -0.060 0.000 0.653 96 A CB -0.732 18.256 19.000 -0.020 0.000 0.801 96 A HN 0.617 nan 8.150 nan 0.000 0.455 97 S N -0.367 115.332 115.700 -0.002 0.000 2.634 97 S HA 0.157 4.627 4.470 0.000 0.000 0.221 97 S C 0.653 175.316 174.600 0.105 0.000 0.952 97 S CA 0.411 58.660 58.200 0.081 0.000 0.930 97 S CB -1.008 62.224 63.200 0.054 0.000 0.780 97 S HN 0.641 nan 8.310 nan 0.000 0.498 98 T N -0.309 114.256 114.554 0.018 0.000 2.945 98 T HA 0.739 5.089 4.350 0.000 0.000 0.286 98 T C -0.748 173.983 174.700 0.051 0.000 1.025 98 T CA -0.815 61.248 62.100 -0.061 0.000 1.039 98 T CB 1.222 69.948 68.868 -0.237 0.000 1.068 98 T HN 0.701 nan 8.240 nan 0.000 0.497 99 Y N -1.450 118.762 120.300 -0.147 0.000 2.620 99 Y HA 0.646 5.196 4.550 0.000 0.000 0.331 99 Y C -2.228 173.558 175.900 -0.190 0.000 1.173 99 Y CA -2.365 55.643 58.100 -0.154 0.000 1.076 99 Y CB 0.523 39.113 38.460 0.217 0.000 1.336 99 Y HN 0.546 nan 8.280 nan 0.000 0.459 100 F N 1.969 122.057 119.950 0.231 0.000 2.404 100 F HA 0.340 4.867 4.527 0.000 0.000 0.358 100 F C 0.120 176.035 175.800 0.192 0.000 1.120 100 F CA -0.478 57.587 58.000 0.109 0.000 1.144 100 F CB 0.915 39.967 39.000 0.086 0.000 1.133 100 F HN 0.565 nan 8.300 nan 0.000 0.495 101 D N 4.381 125.016 120.400 0.391 0.000 2.316 101 D HA 0.454 5.094 4.640 0.000 0.000 0.245 101 D C -0.629 175.807 176.300 0.227 0.000 1.171 101 D CA 0.117 54.344 54.000 0.378 0.000 0.856 101 D CB 0.497 41.608 40.800 0.519 0.000 1.090 101 D HN 0.334 nan 8.370 nan 0.000 0.476 102 I N 3.706 124.370 120.570 0.157 0.000 2.509 102 I HA 0.480 4.650 4.170 0.000 0.000 0.293 102 I C 0.059 176.216 176.117 0.067 0.000 1.020 102 I CA -0.915 60.397 61.300 0.021 0.000 1.088 102 I CB 1.844 39.764 38.000 -0.134 0.000 1.267 102 I HN 0.151 nan 8.210 nan 0.000 0.430 103 R N 3.711 124.142 120.500 -0.116 0.000 2.621 103 R HA 0.844 5.184 4.340 0.000 0.000 0.292 103 R C -0.384 175.651 176.300 -0.442 0.000 0.969 103 R CA -0.795 55.122 56.100 -0.305 0.000 0.887 103 R CB 2.427 32.535 30.300 -0.319 0.000 1.180 103 R HN 0.887 nan 8.270 nan 0.000 0.450 104 G N 0.653 108.892 108.800 -0.935 0.000 2.561 104 G HA2 0.461 4.421 3.960 0.000 0.000 0.310 104 G HA3 0.461 4.421 3.960 0.000 0.000 0.310 104 G C -1.748 172.639 174.900 -0.854 0.000 1.292 104 G CA -0.441 44.175 45.100 -0.808 0.000 0.811 104 G HN 0.297 nan 8.290 nan 0.000 0.482 105 V N 0.154 119.881 119.914 -0.312 0.000 2.680 105 V HA 0.794 4.914 4.120 0.000 0.000 0.309 105 V C -0.726 175.530 176.094 0.271 0.000 1.052 105 V CA -0.687 61.606 62.300 -0.010 0.000 0.908 105 V CB 1.580 33.392 31.823 -0.018 0.000 1.001 105 V HN 0.975 nan 8.190 nan 0.000 0.431 106 L N 2.822 124.237 121.223 0.320 0.000 2.431 106 L HA 0.806 5.146 4.340 0.000 0.000 0.266 106 L C -1.374 175.548 176.870 0.087 0.000 0.978 106 L CA -0.089 54.867 54.840 0.194 0.000 0.822 106 L CB 2.189 44.317 42.059 0.115 0.000 1.310 106 L HN 0.678 nan 8.230 nan 0.000 0.409 107 D N 2.975 123.393 120.400 0.030 0.000 2.453 107 D HA 0.348 4.988 4.640 0.000 0.000 0.238 107 D C 0.585 176.814 176.300 -0.118 0.000 1.088 107 D CA -0.384 53.629 54.000 0.022 0.000 0.854 107 D CB 1.511 42.394 40.800 0.138 0.000 1.076 107 D HN 0.625 nan 8.370 nan 0.000 0.533 108 R N 2.157 122.512 120.500 -0.242 0.000 2.328 108 R HA 0.267 4.607 4.340 0.000 0.000 0.207 108 R C 1.352 177.543 176.300 -0.182 0.000 1.056 108 R CA 0.651 56.571 56.100 -0.300 0.000 1.016 108 R CB -0.191 29.755 30.300 -0.590 0.000 0.872 108 R HN 0.668 nan 8.270 nan 0.000 0.471 109 G N 0.075 108.782 108.800 -0.155 0.000 2.760 109 G HA2 -0.193 3.767 3.960 0.000 0.000 0.246 109 G HA3 -0.193 3.767 3.960 0.000 0.000 0.246 109 G C -2.103 172.722 174.900 -0.125 0.000 1.359 109 G CA -0.447 44.587 45.100 -0.110 0.000 0.861 109 G HN 0.030 nan 8.290 nan 0.000 0.541 110 P HA 0.027 nan 4.420 nan 0.000 0.231 110 P C 1.729 178.880 177.300 -0.249 0.000 1.168 110 P CA 2.238 65.254 63.100 -0.140 0.000 0.779 110 P CB -0.066 31.578 31.700 -0.094 0.000 0.844 111 T N -4.269 110.098 114.554 -0.313 0.000 3.148 111 T HA 0.020 4.370 4.350 0.000 0.000 0.253 111 T C 0.302 174.645 174.700 -0.595 0.000 1.134 111 T CA -0.480 61.217 62.100 -0.672 0.000 1.051 111 T CB -1.123 67.343 68.868 -0.670 0.000 0.959 111 T HN -0.121 nan 8.240 nan 0.000 0.525 112 F N 2.587 122.270 119.950 -0.445 0.000 2.472 112 F HA 0.499 5.026 4.527 0.000 0.000 0.364 112 F C 0.244 175.808 175.800 -0.393 0.000 1.090 112 F CA -1.082 56.700 58.000 -0.364 0.000 1.188 112 F CB 0.574 39.415 39.000 -0.265 0.000 1.105 112 F HN -0.006 nan 8.300 nan 0.000 0.536 113 K N 9.055 128.806 120.400 -1.081 0.000 2.803 113 K HA 0.311 4.631 4.320 0.000 0.000 0.229 113 K C -2.624 173.211 176.600 -1.275 0.000 1.084 113 K CA -1.744 53.851 56.287 -1.154 0.000 1.063 113 K CB 1.316 33.318 32.500 -0.830 0.000 1.254 113 K HN 0.267 nan 8.250 nan 0.000 0.551 114 P HA -0.013 nan 4.420 nan 0.000 0.286 114 P C -1.297 175.760 177.300 -0.404 0.000 1.577 114 P CA 0.387 62.949 63.100 -0.897 0.000 0.805 114 P CB -0.802 30.740 31.700 -0.263 0.000 1.706 115 Y N -5.474 114.497 120.300 -0.548 0.000 2.810 115 Y HA 0.563 5.113 4.550 0.000 0.000 0.355 115 Y C -1.061 174.710 175.900 -0.214 0.000 1.211 115 Y CA -1.376 56.584 58.100 -0.234 0.000 1.112 115 Y CB -0.143 38.234 38.460 -0.138 0.000 1.383 115 Y HN -0.374 nan 8.280 nan 0.000 0.458 116 S N 0.899 116.676 115.700 0.130 0.000 2.608 116 S HA 0.788 5.258 4.470 0.000 0.000 0.291 116 S C 0.330 175.043 174.600 0.189 0.000 1.146 116 S CA 0.116 58.338 58.200 0.037 0.000 1.043 116 S CB 1.034 64.234 63.200 0.001 0.000 1.037 116 S HN 1.827 nan 8.310 nan 0.000 0.520 117 G N 1.944 110.818 108.800 0.123 0.000 2.632 117 G HA2 -0.151 3.809 3.960 0.000 0.000 0.224 117 G HA3 -0.151 3.809 3.960 0.000 0.000 0.224 117 G C -0.449 174.557 174.900 0.177 0.000 1.341 117 G CA -0.291 44.911 45.100 0.170 0.000 0.880 117 G HN 0.919 nan 8.290 nan 0.000 0.566 118 T N -0.837 113.747 114.554 0.049 0.000 2.940 118 T HA 0.770 5.120 4.350 0.000 0.000 0.288 118 T C 1.089 175.654 174.700 -0.224 0.000 1.045 118 T CA 0.450 62.497 62.100 -0.089 0.000 1.018 118 T CB 1.939 70.557 68.868 -0.417 0.000 1.151 118 T HN 1.904 nan 8.240 nan 0.000 0.529 119 A N -0.220 122.345 122.820 -0.425 0.000 2.343 119 A HA 0.411 4.731 4.320 0.000 0.000 0.223 119 A C -0.508 176.564 177.584 -0.854 0.000 1.214 119 A CA 0.124 51.710 52.037 -0.753 0.000 0.900 119 A CB -0.089 18.279 19.000 -1.053 0.000 0.942 119 A HN 0.726 nan 8.150 nan 0.000 0.507 120 Y N 0.330 120.547 120.300 -0.139 0.000 2.331 120 Y HA 0.396 4.946 4.550 0.000 0.000 0.334 120 Y C 0.064 175.874 175.900 -0.150 0.000 0.960 120 Y CA -1.807 56.237 58.100 -0.093 0.000 1.130 120 Y CB 0.719 39.166 38.460 -0.021 0.000 1.164 120 Y HN 0.242 nan 8.280 nan 0.000 0.458 121 N N 0.957 119.705 118.700 0.079 0.000 2.714 121 N HA -0.228 4.512 4.740 0.000 0.000 0.253 121 N C 0.907 176.452 175.510 0.060 0.000 1.024 121 N CA 0.800 53.895 53.050 0.075 0.000 0.726 121 N CB -0.709 37.846 38.487 0.114 0.000 0.908 121 N HN 0.915 nan 8.380 nan 0.000 0.542 122 A N -0.245 122.588 122.820 0.021 0.000 2.019 122 A HA -0.043 4.277 4.320 0.000 0.000 0.219 122 A C 2.178 179.915 177.584 0.254 0.000 1.164 122 A CA 1.044 53.154 52.037 0.121 0.000 0.644 122 A CB -0.091 18.938 19.000 0.049 0.000 0.805 122 A HN 0.439 nan 8.150 nan 0.000 0.449 123 L N -0.786 120.535 121.223 0.164 0.000 2.492 123 L HA 0.144 4.484 4.340 0.000 0.000 0.223 123 L C 1.413 178.372 176.870 0.147 0.000 1.132 123 L CA 0.030 54.952 54.840 0.138 0.000 0.850 123 L CB -0.466 41.649 42.059 0.093 0.000 0.966 123 L HN 0.353 nan 8.230 nan 0.000 0.454 124 A N 1.148 124.087 122.820 0.199 0.000 2.440 124 A HA 0.372 4.692 4.320 0.000 0.000 0.251 124 A C -2.126 175.542 177.584 0.141 0.000 1.089 124 A CA -1.147 50.995 52.037 0.176 0.000 0.779 124 A CB -0.461 18.657 19.000 0.196 0.000 1.022 124 A HN -0.063 nan 8.150 nan 0.000 0.492 125 P HA 0.045 nan 4.420 nan 0.000 0.265 125 P C 0.265 177.539 177.300 -0.042 0.000 1.193 125 P CA 0.105 63.203 63.100 -0.003 0.000 0.765 125 P CB 0.403 32.109 31.700 0.009 0.000 0.823 126 K N 1.797 122.086 120.400 -0.185 0.000 2.442 126 K HA -0.091 4.229 4.320 0.000 0.000 0.200 126 K C 1.704 178.247 176.600 -0.094 0.000 1.045 126 K CA 1.556 57.687 56.287 -0.261 0.000 0.937 126 K CB -0.415 31.830 32.500 -0.426 0.000 0.757 126 K HN 0.628 nan 8.250 nan 0.000 0.474 127 G N 0.387 109.157 108.800 -0.050 0.000 2.944 127 G HA2 0.222 4.182 3.960 0.000 0.000 0.223 127 G HA3 0.222 4.182 3.960 0.000 0.000 0.223 127 G C 0.197 175.100 174.900 0.005 0.000 1.071 127 G CA -0.020 45.066 45.100 -0.022 0.000 0.806 127 G HN 0.260 nan 8.290 nan 0.000 0.538 128 A N 1.520 124.357 122.820 0.030 0.000 2.511 128 A HA 0.568 4.888 4.320 0.000 0.000 0.242 128 A C -2.209 175.423 177.584 0.080 0.000 1.069 128 A CA -0.429 51.648 52.037 0.066 0.000 0.763 128 A CB 0.327 19.382 19.000 0.090 0.000 1.001 128 A HN 0.209 nan 8.150 nan 0.000 0.498 129 P HA 0.311 nan 4.420 nan 0.000 0.287 129 P C -0.799 176.593 177.300 0.153 0.000 1.290 129 P CA -1.030 62.127 63.100 0.094 0.000 0.889 129 P CB 0.973 32.695 31.700 0.037 0.000 1.190 130 N N 1.010 119.787 118.700 0.129 0.000 2.503 130 N HA 0.210 4.950 4.740 0.000 0.000 0.267 130 N C -2.207 173.408 175.510 0.174 0.000 1.214 130 N CA -1.187 51.940 53.050 0.129 0.000 0.959 130 N CB -0.311 38.232 38.487 0.093 0.000 1.142 130 N HN 0.241 nan 8.380 nan 0.000 0.455 131 P HA 0.038 nan 4.420 nan 0.000 0.261 131 P C -0.178 177.228 177.300 0.176 0.000 1.203 131 P CA -0.114 63.080 63.100 0.158 0.000 0.767 131 P CB -0.039 31.699 31.700 0.064 0.000 0.785 132 C N 1.964 121.425 119.300 0.268 0.000 3.119 132 C HA 0.767 5.227 4.460 0.000 0.000 0.359 132 C C -0.539 174.658 174.990 0.345 0.000 1.486 132 C CA -0.862 58.316 59.018 0.266 0.000 1.556 132 C CB 1.645 29.535 27.740 0.250 0.000 2.063 132 C HN 0.494 nan 8.230 nan 0.000 0.454 133 E N -0.707 119.700 120.200 0.344 0.000 2.331 133 E HA 0.616 4.966 4.350 0.000 0.000 0.275 133 E C -1.706 175.150 176.600 0.427 0.000 0.895 133 E CA -0.166 56.418 56.400 0.306 0.000 0.753 133 E CB 2.313 32.100 29.700 0.145 0.000 1.216 133 E HN 0.865 nan 8.360 nan 0.000 0.434 134 W N 0.922 122.288 121.300 0.110 0.000 2.988 134 W HA 0.586 5.246 4.660 0.000 0.000 0.355 134 W C -1.340 175.249 176.519 0.116 0.000 1.233 134 W CA -0.639 56.753 57.345 0.079 0.000 1.176 134 W CB 0.488 29.966 29.460 0.029 0.000 1.477 134 W HN 0.180 nan 8.180 nan 0.000 0.582 166 H N 0.474 119.170 119.070 -0.623 0.000 2.496 166 H HA 0.852 5.408 4.556 0.000 0.000 0.342 166 H C -0.171 174.784 175.328 -0.621 0.000 1.170 166 H CA -0.753 54.827 56.048 -0.780 0.000 1.274 166 H CB 1.178 30.112 29.762 -1.379 0.000 1.538 166 H HN 0.359 nan 8.280 nan 0.000 0.542 167 V N 2.065 121.832 119.914 -0.245 0.000 2.789 167 V HA 0.321 4.441 4.120 0.000 0.000 0.311 167 V C -1.412 174.758 176.094 0.127 0.000 1.073 167 V CA -0.755 61.512 62.300 -0.054 0.000 0.921 167 V CB 1.986 33.734 31.823 -0.124 0.000 1.009 167 V HN 0.653 nan 8.190 nan 0.000 0.426 168 F N 4.050 124.069 119.950 0.115 0.000 2.716 168 F HA 0.823 5.350 4.527 0.000 0.000 0.354 168 F C 0.146 175.992 175.800 0.077 0.000 1.168 168 F CA 0.077 58.169 58.000 0.155 0.000 1.045 168 F CB 1.379 40.570 39.000 0.319 0.000 1.311 168 F HN 0.626 nan 8.300 nan 0.000 0.477 169 G N 3.748 112.294 108.800 -0.423 0.000 2.815 169 G HA2 0.530 4.490 3.960 0.000 0.000 0.305 169 G HA3 0.530 4.490 3.960 0.000 0.000 0.305 169 G C -2.108 172.587 174.900 -0.342 0.000 1.277 169 G CA -0.719 44.206 45.100 -0.293 0.000 0.795 169 G HN 0.556 nan 8.290 nan 0.000 0.528 170 Q N -1.293 118.396 119.800 -0.184 0.000 2.340 170 Q HA 0.606 4.946 4.340 0.000 0.000 0.276 170 Q C -1.677 174.284 176.000 -0.064 0.000 1.048 170 Q CA -0.918 54.807 55.803 -0.130 0.000 0.832 170 Q CB 2.254 30.941 28.738 -0.085 0.000 1.373 170 Q HN 1.054 nan 8.270 nan 0.000 0.409 171 A N 4.115 126.908 122.820 -0.044 0.000 2.586 171 A HA 0.511 4.831 4.320 0.000 0.000 0.320 171 A C -2.358 175.245 177.584 0.030 0.000 1.281 171 A CA -1.141 50.902 52.037 0.011 0.000 0.775 171 A CB 0.739 19.744 19.000 0.008 0.000 1.122 171 A HN 0.678 nan 8.150 nan 0.000 0.470 172 P HA 0.034 nan 4.420 nan 0.000 0.245 172 P C -0.040 177.300 177.300 0.067 0.000 1.199 172 P CA 0.420 63.549 63.100 0.049 0.000 0.807 172 P CB 0.049 31.780 31.700 0.053 0.000 1.002 173 Y N 1.693 121.997 120.300 0.007 0.000 2.359 173 Y HA 0.376 4.926 4.550 0.000 0.000 0.334 173 Y C 0.330 176.245 175.900 0.025 0.000 1.058 173 Y CA -0.559 57.548 58.100 0.010 0.000 1.244 173 Y CB 0.665 39.125 38.460 0.001 0.000 1.187 173 Y HN -0.213 nan 8.280 nan 0.000 0.510 174 S N 5.430 120.778 115.700 -0.586 0.000 2.420 174 S HA 0.670 5.140 4.470 0.000 0.000 0.313 174 S C 0.118 174.471 174.600 -0.412 0.000 1.079 174 S CA -0.178 57.828 58.200 -0.323 0.000 1.104 174 S CB -0.294 62.776 63.200 -0.217 0.000 0.969 174 S HN 1.052 nan 8.310 nan 0.000 0.471 175 G N 3.479 112.334 108.800 0.093 0.000 2.613 175 G HA2 0.521 4.481 3.960 0.000 0.000 0.303 175 G HA3 0.521 4.481 3.960 0.000 0.000 0.303 175 G C 0.674 175.663 174.900 0.148 0.000 1.312 175 G CA -0.774 44.493 45.100 0.278 0.000 1.036 175 G HN 0.701 nan 8.290 nan 0.000 0.513 176 I N 0.298 120.919 120.570 0.084 0.000 2.339 176 I HA 0.162 4.332 4.170 0.000 0.000 0.245 176 I C 1.574 177.506 176.117 -0.307 0.000 1.096 176 I CA 1.533 62.815 61.300 -0.030 0.000 1.408 176 I CB -0.154 37.834 38.000 -0.021 0.000 1.092 176 I HN 0.683 nan 8.210 nan 0.000 0.423 177 N N 0.169 118.664 118.700 -0.342 0.000 3.043 177 N HA 0.591 5.331 4.740 0.000 0.000 0.243 177 N C -1.127 174.295 175.510 -0.146 0.000 1.347 177 N CA -0.676 51.968 53.050 -0.677 0.000 0.896 177 N CB 0.763 38.977 38.487 -0.454 0.000 1.501 177 N HN 0.035 nan 8.380 nan 0.000 0.504 178 I N 1.655 122.242 120.570 0.028 0.000 2.354 178 I HA 0.665 4.835 4.170 0.000 0.000 0.286 178 I C 1.131 177.328 176.117 0.132 0.000 1.007 178 I CA -0.334 61.083 61.300 0.194 0.000 1.167 178 I CB 1.147 39.348 38.000 0.335 0.000 1.320 178 I HN 0.988 nan 8.210 nan 0.000 0.458 179 T N 2.859 117.480 114.554 0.112 0.000 2.819 179 T HA 0.581 4.931 4.350 0.000 0.000 0.271 179 T C 1.157 175.834 174.700 -0.039 0.000 0.986 179 T CA -0.041 62.069 62.100 0.017 0.000 0.989 179 T CB 0.472 69.344 68.868 0.007 0.000 1.396 179 T HN 0.483 nan 8.240 nan 0.000 0.597 180 K N 0.106 120.432 120.400 -0.124 0.000 2.459 180 K HA 0.166 4.486 4.320 0.000 0.000 0.193 180 K C 1.503 178.106 176.600 0.004 0.000 1.030 180 K CA 1.274 57.429 56.287 -0.220 0.000 1.026 180 K CB -0.396 31.977 32.500 -0.211 0.000 0.809 180 K HN 0.744 nan 8.250 nan 0.000 0.504 181 E N -0.792 119.447 120.200 0.066 0.000 2.479 181 E HA 0.279 4.629 4.350 0.000 0.000 0.193 181 E C 0.774 177.477 176.600 0.170 0.000 1.049 181 E CA 0.142 56.602 56.400 0.100 0.000 0.870 181 E CB 0.280 30.013 29.700 0.055 0.000 0.944 181 E HN 0.630 nan 8.360 nan 0.000 0.492 182 G N 1.772 110.736 108.800 0.273 0.000 2.384 182 G HA2 -0.213 3.747 3.960 0.000 0.000 0.200 182 G HA3 -0.213 3.747 3.960 0.000 0.000 0.200 182 G C -0.914 174.131 174.900 0.241 0.000 1.205 182 G CA -0.479 44.779 45.100 0.262 0.000 1.116 182 G HN 0.175 nan 8.290 nan 0.000 0.547 183 I N 1.380 122.087 120.570 0.228 0.000 2.359 183 I HA 0.548 4.718 4.170 0.000 0.000 0.294 183 I C 0.635 176.806 176.117 0.090 0.000 0.987 183 I CA -0.611 60.791 61.300 0.169 0.000 1.225 183 I CB 1.360 39.478 38.000 0.196 0.000 1.366 183 I HN 0.747 nan 8.210 nan 0.000 0.466 184 Q N 7.285 127.129 119.800 0.074 0.000 2.314 184 Q HA 0.255 4.595 4.340 0.000 0.000 0.258 184 Q C 0.162 176.205 176.000 0.070 0.000 0.954 184 Q CA -0.094 55.734 55.803 0.042 0.000 0.890 184 Q CB 0.940 29.684 28.738 0.011 0.000 1.210 184 Q HN 0.824 nan 8.270 nan 0.000 0.410 185 I N 0.184 120.780 120.570 0.044 0.000 4.225 185 I HA 0.600 4.770 4.170 0.000 0.000 0.327 185 I C 0.283 176.441 176.117 0.069 0.000 1.422 185 I CA -0.366 60.986 61.300 0.087 0.000 1.150 185 I CB 0.885 38.884 38.000 -0.002 0.000 1.192 185 I HN 0.567 nan 8.210 nan 0.000 0.440 194 Y N -0.113 120.183 120.300 -0.006 0.000 2.326 194 Y HA 0.830 5.380 4.550 0.000 0.000 0.324 194 Y C 1.022 176.884 175.900 -0.063 0.000 1.291 194 Y CA -1.314 56.780 58.100 -0.010 0.000 1.348 194 Y CB 0.495 38.968 38.460 0.023 0.000 1.294 194 Y HN 1.424 nan 8.280 nan 0.000 0.525 195 A N 1.490 124.247 122.820 -0.105 0.000 2.371 195 A HA 0.412 4.732 4.320 0.000 0.000 0.257 195 A C 0.040 177.467 177.584 -0.261 0.000 1.089 195 A CA 0.052 51.933 52.037 -0.259 0.000 0.794 195 A CB -0.033 18.720 19.000 -0.412 0.000 1.029 195 A HN 0.890 nan 8.150 nan 0.000 0.488 196 D N 2.438 122.600 120.400 -0.398 0.000 2.374 196 D HA 0.319 4.959 4.640 0.000 0.000 0.240 196 D C 1.512 177.564 176.300 -0.414 0.000 1.229 196 D CA 0.556 54.360 54.000 -0.326 0.000 0.895 196 D CB 0.855 41.502 40.800 -0.255 0.000 1.046 196 D HN 0.622 nan 8.370 nan 0.000 0.498 197 K N 2.375 122.645 120.400 -0.217 0.000 2.173 197 K HA -0.235 4.085 4.320 0.000 0.000 0.207 197 K C 1.856 178.384 176.600 -0.121 0.000 1.046 197 K CA 2.368 58.561 56.287 -0.157 0.000 0.929 197 K CB -1.669 30.896 32.500 0.108 0.000 0.720 197 K HN 0.715 nan 8.250 nan 0.000 0.453 198 T N -2.078 112.457 114.554 -0.032 0.000 2.849 198 T HA -0.060 4.290 4.350 0.000 0.000 0.270 198 T C 1.612 176.391 174.700 0.132 0.000 1.066 198 T CA 1.604 63.748 62.100 0.074 0.000 1.130 198 T CB -0.423 68.532 68.868 0.145 0.000 0.864 198 T HN 1.038 nan 8.240 nan 0.000 0.481 199 F N -0.616 119.262 119.950 -0.120 0.000 2.938 199 F HA 0.514 5.041 4.527 0.000 0.000 0.370 199 F C 0.075 175.761 175.800 -0.191 0.000 0.981 199 F CA -1.168 56.757 58.000 -0.125 0.000 1.108 199 F CB 0.274 39.223 39.000 -0.085 0.000 1.086 199 F HN 0.010 nan 8.300 nan 0.000 0.569 200 Q N 3.903 123.154 119.800 -0.916 0.000 2.256 200 Q HA 0.476 4.816 4.340 0.000 0.000 0.257 200 Q C -2.637 172.814 176.000 -0.916 0.000 0.936 200 Q CA -2.238 53.045 55.803 -0.865 0.000 0.903 200 Q CB 1.821 29.965 28.738 -0.989 0.000 1.263 200 Q HN -0.001 nan 8.270 nan 0.000 0.440 201 P HA 0.076 nan 4.420 nan 0.000 0.278 201 P C -0.979 176.172 177.300 -0.249 0.000 1.258 201 P CA -0.459 62.342 63.100 -0.499 0.000 0.811 201 P CB 0.755 32.203 31.700 -0.421 0.000 1.063 202 E N 1.698 121.827 120.200 -0.118 0.000 2.167 202 E HA 0.149 4.499 4.350 0.000 0.000 0.284 202 E C -1.602 175.016 176.600 0.031 0.000 1.016 202 E CA -1.764 54.639 56.400 0.004 0.000 0.817 202 E CB 0.428 30.175 29.700 0.079 0.000 1.080 202 E HN 0.318 nan 8.360 nan 0.000 0.397 203 P HA -0.258 nan 4.420 nan 0.000 0.218 203 P C 0.864 178.199 177.300 0.059 0.000 1.146 203 P CA 1.437 64.564 63.100 0.046 0.000 0.813 203 P CB 0.173 31.899 31.700 0.043 0.000 0.778 204 Q N -0.776 119.061 119.800 0.062 0.000 2.224 204 Q HA -0.018 4.322 4.340 0.000 0.000 0.203 204 Q C 0.955 176.998 176.000 0.070 0.000 0.970 204 Q CA 0.633 56.475 55.803 0.065 0.000 0.865 204 Q CB -0.502 28.274 28.738 0.064 0.000 0.922 204 Q HN 0.275 nan 8.270 nan 0.000 0.445 205 I N 1.385 122.008 120.570 0.087 0.000 2.395 205 I HA 0.453 4.623 4.170 0.000 0.000 0.289 205 I C 0.432 176.610 176.117 0.102 0.000 1.023 205 I CA -0.245 61.118 61.300 0.106 0.000 1.350 205 I CB 1.000 39.097 38.000 0.161 0.000 1.409 205 I HN 0.149 nan 8.210 nan 0.000 0.507 206 G N 3.426 112.261 108.800 0.057 0.000 2.827 206 G HA2 0.605 4.565 3.960 0.000 0.000 0.296 206 G HA3 0.605 4.565 3.960 0.000 0.000 0.296 206 G C -0.897 173.985 174.900 -0.030 0.000 1.362 206 G CA -0.309 44.802 45.100 0.019 0.000 0.809 206 G HN 0.674 nan 8.290 nan 0.000 0.522 207 E N -1.101 119.067 120.200 -0.054 0.000 2.343 207 E HA 0.596 4.946 4.350 0.000 0.000 0.269 207 E C 1.302 177.862 176.600 -0.067 0.000 1.047 207 E CA 0.436 56.785 56.400 -0.086 0.000 0.874 207 E CB 0.875 30.509 29.700 -0.110 0.000 1.033 207 E HN 1.335 nan 8.360 nan 0.000 0.409 208 S N 0.394 116.046 115.700 -0.081 0.000 2.395 208 S HA 0.301 4.771 4.470 0.000 0.000 0.225 208 S C 1.690 176.237 174.600 -0.088 0.000 1.027 208 S CA 1.453 59.617 58.200 -0.060 0.000 0.965 208 S CB -0.366 62.805 63.200 -0.047 0.000 0.812 208 S HN 1.225 nan 8.310 nan 0.000 0.482 209 Q N 0.527 120.201 119.800 -0.209 0.000 2.471 209 Q HA 0.438 4.778 4.340 0.000 0.000 0.223 209 Q C 0.729 176.566 176.000 -0.271 0.000 1.045 209 Q CA 0.248 55.811 55.803 -0.400 0.000 0.956 209 Q CB -0.570 27.626 28.738 -0.904 0.000 1.249 209 Q HN 1.010 nan 8.270 nan 0.000 0.549 210 W N -0.670 120.432 121.300 -0.329 0.000 3.058 210 W HA 0.229 4.889 4.660 0.000 0.000 0.306 210 W C 0.136 176.613 176.519 -0.071 0.000 1.188 210 W CA 0.225 57.489 57.345 -0.134 0.000 1.651 210 W CB 0.064 29.510 29.460 -0.024 0.000 1.051 210 W HN 0.787 nan 8.180 nan 0.000 0.592 211 Y N 0.854 120.783 120.300 -0.618 0.000 2.565 211 Y HA 0.696 5.246 4.550 0.000 0.000 0.325 211 Y C 0.326 176.071 175.900 -0.257 0.000 1.221 211 Y CA -1.836 55.921 58.100 -0.572 0.000 1.316 211 Y CB -0.665 37.171 38.460 -1.040 0.000 1.404 211 Y HN -0.065 nan 8.280 nan 0.000 0.527 212 E N -0.780 119.523 120.200 0.172 0.000 2.217 212 E HA 0.471 4.821 4.350 0.000 0.000 0.279 212 E C 0.450 177.149 176.600 0.165 0.000 1.068 212 E CA 0.263 56.728 56.400 0.107 0.000 0.882 212 E CB -0.205 29.527 29.700 0.055 0.000 1.039 212 E HN 1.016 nan 8.360 nan 0.000 0.418 213 T N 0.055 114.653 114.554 0.074 0.000 2.990 213 T HA 0.508 4.858 4.350 0.000 0.000 0.249 213 T C 1.034 175.745 174.700 0.019 0.000 1.039 213 T CA 1.848 63.988 62.100 0.067 0.000 1.036 213 T CB -0.141 68.731 68.868 0.006 0.000 0.994 213 T HN 1.981 nan 8.240 nan 0.000 0.489 214 E N -1.019 119.181 120.200 0.001 0.000 5.278 214 E HA 0.313 4.663 4.350 0.000 0.000 0.173 214 E C 0.033 176.618 176.600 -0.024 0.000 1.365 214 E CA 0.479 56.872 56.400 -0.013 0.000 1.205 214 E CB -2.904 26.789 29.700 -0.011 0.000 1.015 214 E HN 2.026 nan 8.360 nan 0.000 0.350 215 I N 2.043 122.593 120.570 -0.033 0.000 2.337 215 I HA 0.569 4.739 4.170 0.000 0.000 0.291 215 I C 1.108 177.181 176.117 -0.073 0.000 1.046 215 I CA 0.102 61.378 61.300 -0.041 0.000 1.324 215 I CB 0.797 38.775 38.000 -0.037 0.000 1.409 215 I HN 0.670 nan 8.210 nan 0.000 0.494 216 N N 2.224 120.850 118.700 -0.124 0.000 2.432 216 N HA 0.023 4.763 4.740 0.000 0.000 0.174 216 N C -0.185 175.003 175.510 -0.536 0.000 1.037 216 N CA 0.792 53.645 53.050 -0.328 0.000 0.892 216 N CB 0.348 38.599 38.487 -0.394 0.000 1.049 216 N HN 0.914 nan 8.380 nan 0.000 0.442 217 H N 0.262 119.359 119.070 0.046 0.000 2.697 217 H HA 0.556 5.112 4.556 0.000 0.000 0.270 217 H C -0.524 174.863 175.328 0.098 0.000 1.188 217 H CA -0.418 55.678 56.048 0.080 0.000 1.322 217 H CB 0.993 30.808 29.762 0.089 0.000 1.405 217 H HN 0.102 nan 8.280 nan 0.000 0.502 218 A N 2.243 125.152 122.820 0.149 0.000 2.312 218 A HA 0.876 5.196 4.320 0.000 0.000 0.328 218 A C -0.354 177.338 177.584 0.181 0.000 1.158 218 A CA -0.399 51.725 52.037 0.145 0.000 0.821 218 A CB 0.758 19.797 19.000 0.065 0.000 1.170 218 A HN 0.685 nan 8.150 nan 0.000 0.490 219 A N 0.680 123.637 122.820 0.228 0.000 2.435 219 A HA 0.933 5.253 4.320 0.000 0.000 0.304 219 A C 0.038 177.723 177.584 0.169 0.000 1.064 219 A CA -0.004 52.164 52.037 0.217 0.000 0.727 219 A CB 1.666 20.811 19.000 0.243 0.000 1.284 219 A HN 2.086 nan 8.150 nan 0.000 0.415 220 G N -0.160 108.732 108.800 0.152 0.000 2.788 220 G HA2 0.637 4.597 3.960 0.000 0.000 0.293 220 G HA3 0.637 4.597 3.960 0.000 0.000 0.293 220 G C -1.404 173.579 174.900 0.139 0.000 1.392 220 G CA -0.746 44.415 45.100 0.102 0.000 0.810 220 G HN 0.772 nan 8.290 nan 0.000 0.508 221 R N -1.214 119.334 120.500 0.080 0.000 2.621 221 R HA 0.731 5.071 4.340 0.000 0.000 0.292 221 R C -1.430 174.906 176.300 0.060 0.000 0.969 221 R CA -0.538 55.611 56.100 0.081 0.000 0.887 221 R CB 2.109 32.434 30.300 0.042 0.000 1.180 221 R HN 0.697 nan 8.270 nan 0.000 0.450 222 V N 5.088 125.042 119.914 0.067 0.000 3.147 222 V HA 0.531 4.651 4.120 0.000 0.000 0.306 222 V C -1.577 174.557 176.094 0.067 0.000 1.209 222 V CA -0.914 61.422 62.300 0.060 0.000 1.023 222 V CB 2.297 34.149 31.823 0.048 0.000 1.059 222 V HN 0.690 nan 8.190 nan 0.000 0.435 223 L N 4.529 125.798 121.223 0.077 0.000 2.289 223 L HA 0.543 4.883 4.340 0.000 0.000 0.285 223 L C 0.300 177.223 176.870 0.088 0.000 1.049 223 L CA -0.520 54.365 54.840 0.074 0.000 0.804 223 L CB 1.260 43.363 42.059 0.073 0.000 1.195 223 L HN 0.591 nan 8.230 nan 0.000 0.428 224 K N 2.150 122.593 120.400 0.073 0.000 2.219 224 K HA 0.050 4.370 4.320 0.000 0.000 0.258 224 K C 0.974 177.629 176.600 0.092 0.000 1.008 224 K CA -0.412 55.920 56.287 0.075 0.000 0.928 224 K CB 0.682 33.216 32.500 0.056 0.000 0.983 224 K HN 0.520 nan 8.250 nan 0.000 0.484 225 K N 0.147 120.608 120.400 0.102 0.000 2.585 225 K HA -0.099 4.221 4.320 0.000 0.000 0.194 225 K C 0.684 177.340 176.600 0.092 0.000 1.037 225 K CA 1.518 57.879 56.287 0.124 0.000 0.964 225 K CB -0.243 32.334 32.500 0.128 0.000 0.787 225 K HN 0.620 nan 8.250 nan 0.000 0.488 226 T N -2.122 112.474 114.554 0.069 0.000 3.081 226 T HA 0.036 4.386 4.350 0.000 0.000 0.250 226 T C 0.574 175.301 174.700 0.046 0.000 1.100 226 T CA -0.101 62.030 62.100 0.052 0.000 1.038 226 T CB 0.145 69.037 68.868 0.041 0.000 0.962 226 T HN 0.017 nan 8.240 nan 0.000 0.516 227 T N 4.960 119.545 114.554 0.051 0.000 2.743 227 T HA 0.426 4.776 4.350 0.000 0.000 0.292 227 T C -2.672 172.056 174.700 0.046 0.000 0.972 227 T CA -1.414 60.711 62.100 0.041 0.000 0.967 227 T CB 1.258 70.148 68.868 0.037 0.000 0.926 227 T HN 0.122 nan 8.240 nan 0.000 0.459 228 P HA 0.024 nan 4.420 nan 0.000 0.264 228 P C -0.280 177.037 177.300 0.028 0.000 1.179 228 P CA 0.098 63.215 63.100 0.028 0.000 0.763 228 P CB 0.370 32.081 31.700 0.018 0.000 0.806 229 M N 2.814 122.426 119.600 0.020 0.000 2.211 229 M HA 0.251 4.731 4.480 0.000 0.000 0.356 229 M C 0.568 176.871 176.300 0.005 0.000 1.216 229 M CA 0.475 55.782 55.300 0.013 0.000 1.134 229 M CB 0.425 33.014 32.600 -0.020 0.000 1.564 229 M HN 0.135 nan 8.290 nan 0.000 0.463 230 K N 2.944 123.355 120.400 0.019 0.000 2.527 230 K HA 0.557 4.877 4.320 0.000 0.000 0.260 230 K C -2.821 173.805 176.600 0.044 0.000 0.937 230 K CA -1.877 54.426 56.287 0.026 0.000 0.826 230 K CB 1.665 34.184 32.500 0.032 0.000 1.359 230 K HN 0.220 nan 8.250 nan 0.000 0.434 231 P HA 0.064 nan 4.420 nan 0.000 0.269 231 P C 1.004 178.372 177.300 0.114 0.000 1.209 231 P CA -0.283 62.866 63.100 0.082 0.000 0.776 231 P CB 0.588 32.344 31.700 0.093 0.000 0.876 232 C N 3.116 122.492 119.300 0.127 0.000 2.398 232 C HA -0.189 4.271 4.460 0.000 0.000 0.276 232 C C 1.449 176.539 174.990 0.167 0.000 1.222 232 C CA 0.525 59.624 59.018 0.135 0.000 1.746 232 C CB -1.656 26.165 27.740 0.136 0.000 2.039 232 C HN 0.545 nan 8.230 nan 0.000 0.470 233 Y N 1.078 121.418 120.300 0.068 0.000 2.745 233 Y HA 0.380 4.930 4.550 0.000 0.000 0.335 233 Y C 1.190 177.147 175.900 0.095 0.000 1.212 233 Y CA 1.153 59.299 58.100 0.076 0.000 1.535 233 Y CB -0.077 38.411 38.460 0.047 0.000 1.220 233 Y HN 0.634 nan 8.280 nan 0.000 0.531 234 G N 3.074 111.751 108.800 -0.206 0.000 2.176 234 G HA2 -0.274 3.686 3.960 0.000 0.000 0.253 234 G HA3 -0.274 3.686 3.960 0.000 0.000 0.253 234 G C 0.166 175.108 174.900 0.071 0.000 0.979 234 G CA 0.146 45.208 45.100 -0.064 0.000 0.641 234 G HN 0.704 nan 8.290 nan 0.000 0.530 235 S N 0.033 115.773 115.700 0.067 0.000 2.528 235 S HA 0.586 5.056 4.470 0.000 0.000 0.277 235 S C -0.499 174.088 174.600 -0.022 0.000 1.297 235 S CA 0.042 58.261 58.200 0.032 0.000 1.052 235 S CB 1.123 64.349 63.200 0.043 0.000 0.917 235 S HN 0.800 nan 8.310 nan 0.000 0.492 236 Y N 1.233 121.360 120.300 -0.288 0.000 2.544 236 Y HA 0.599 5.149 4.550 0.000 0.000 0.342 236 Y C -1.247 174.502 175.900 -0.252 0.000 1.062 236 Y CA -0.802 57.023 58.100 -0.457 0.000 1.023 236 Y CB 1.275 39.050 38.460 -1.141 0.000 1.308 236 Y HN 0.676 nan 8.280 nan 0.000 0.457 237 A N 5.856 128.000 122.820 -1.127 0.000 2.466 237 A HA 0.459 4.779 4.320 0.000 0.000 0.284 237 A C -1.449 175.592 177.584 -0.905 0.000 1.049 237 A CA -0.969 50.590 52.037 -0.796 0.000 0.760 237 A CB 0.633 19.424 19.000 -0.348 0.000 1.274 237 A HN 0.811 nan 8.150 nan 0.000 0.412 238 K N 3.188 123.160 120.400 -0.713 0.000 2.524 238 K HA 0.289 4.609 4.320 0.000 0.000 0.279 238 K C -2.393 174.096 176.600 -0.185 0.000 0.993 238 K CA -0.546 55.545 56.287 -0.327 0.000 1.030 238 K CB 0.126 32.591 32.500 -0.060 0.000 0.891 238 K HN 0.308 nan 8.250 nan 0.000 0.488 239 P HA -0.018 nan 4.420 nan 0.000 0.271 239 P C 0.011 177.289 177.300 -0.037 0.000 1.216 239 P CA -0.292 62.772 63.100 -0.060 0.000 0.776 239 P CB 1.096 32.780 31.700 -0.027 0.000 0.881 240 T N -1.899 112.638 114.554 -0.028 0.000 3.044 240 T HA 0.200 4.551 4.350 0.000 0.000 0.260 240 T C 0.215 174.908 174.700 -0.011 0.000 1.019 240 T CA -0.275 61.816 62.100 -0.015 0.000 0.921 240 T CB -0.741 68.121 68.868 -0.010 0.000 1.053 240 T HN 0.595 nan 8.240 nan 0.000 0.533 241 N N -1.513 117.174 118.700 -0.021 0.000 2.484 241 N HA 0.492 5.232 4.740 0.000 0.000 0.269 241 N C 0.585 176.053 175.510 -0.070 0.000 1.237 241 N CA -0.303 52.726 53.050 -0.035 0.000 0.838 241 N CB 0.695 39.169 38.487 -0.022 0.000 1.593 241 N HN -0.078 nan 8.380 nan 0.000 0.485 242 E N 0.175 120.324 120.200 -0.085 0.000 2.393 242 E HA -0.215 4.135 4.350 0.000 0.000 0.201 242 E C 0.418 176.911 176.600 -0.178 0.000 1.025 242 E CA 1.593 57.929 56.400 -0.106 0.000 0.856 242 E CB -0.863 28.779 29.700 -0.096 0.000 0.771 242 E HN 0.611 nan 8.360 nan 0.000 0.526 243 N N -0.975 117.565 118.700 -0.267 0.000 2.270 243 N HA 0.235 4.975 4.740 0.000 0.000 0.198 243 N C 1.344 176.709 175.510 -0.241 0.000 1.117 243 N CA 0.777 53.552 53.050 -0.458 0.000 0.845 243 N CB 1.246 38.993 38.487 -1.234 0.000 0.980 243 N HN 0.578 nan 8.380 nan 0.000 0.486 244 G N 0.101 108.837 108.800 -0.107 0.000 2.217 244 G HA2 -0.233 3.727 3.960 0.000 0.000 0.246 244 G HA3 -0.233 3.727 3.960 0.000 0.000 0.246 244 G C 0.536 175.439 174.900 0.005 0.000 0.990 244 G CA -0.102 44.979 45.100 -0.032 0.000 0.627 244 G HN 0.552 nan 8.290 nan 0.000 0.522 245 G N -0.184 108.636 108.800 0.033 0.000 2.353 245 G HA2 0.432 4.392 3.960 0.000 0.000 0.239 245 G HA3 0.432 4.392 3.960 0.000 0.000 0.239 245 G C 0.568 175.471 174.900 0.004 0.000 1.295 245 G CA 0.561 45.695 45.100 0.057 0.000 0.884 245 G HN 0.579 nan 8.290 nan 0.000 0.537 246 Q N 1.207 121.000 119.800 -0.012 0.000 2.179 246 Q HA 0.227 4.567 4.340 0.000 0.000 0.213 246 Q C 1.289 177.271 176.000 -0.031 0.000 0.833 246 Q CA -0.157 55.617 55.803 -0.048 0.000 0.990 246 Q CB 1.165 29.844 28.738 -0.098 0.000 1.132 246 Q HN 0.606 nan 8.270 nan 0.000 0.493 247 G N 1.157 109.956 108.800 -0.003 0.000 2.340 247 G HA2 0.217 4.177 3.960 0.000 0.000 0.245 247 G HA3 0.217 4.177 3.960 0.000 0.000 0.245 247 G C -0.185 174.717 174.900 0.003 0.000 1.294 247 G CA -0.395 44.709 45.100 0.007 0.000 0.896 247 G HN 0.199 nan 8.290 nan 0.000 0.522 248 I N 1.175 121.746 120.570 0.002 0.000 2.710 248 I HA 0.001 4.171 4.170 0.000 0.000 0.286 248 I C 0.586 176.708 176.117 0.009 0.000 1.181 248 I CA 0.391 61.692 61.300 0.002 0.000 1.430 248 I CB 0.664 38.666 38.000 0.003 0.000 1.367 248 I HN 0.214 nan 8.210 nan 0.000 0.577 249 L N 6.837 128.065 121.223 0.008 0.000 2.295 249 L HA 0.474 4.814 4.340 0.000 0.000 0.285 249 L C -0.125 176.752 176.870 0.011 0.000 1.035 249 L CA -0.636 54.210 54.840 0.011 0.000 0.806 249 L CB 1.418 43.483 42.059 0.010 0.000 1.214 249 L HN 0.320 nan 8.230 nan 0.000 0.426 259 S N 0.165 115.880 115.700 0.025 0.000 2.549 259 S HA 0.226 4.696 4.470 0.000 0.000 0.283 259 S C 0.691 175.309 174.600 0.030 0.000 1.320 259 S CA 0.246 58.464 58.200 0.030 0.000 1.058 259 S CB 0.849 64.071 63.200 0.037 0.000 0.882 259 S HN 0.486 nan 8.310 nan 0.000 0.498 260 Q N 2.932 122.750 119.800 0.030 0.000 2.172 260 Q HA 0.190 4.530 4.340 0.000 0.000 0.217 260 Q C -0.307 175.714 176.000 0.035 0.000 0.832 260 Q CA -0.214 55.606 55.803 0.029 0.000 1.010 260 Q CB 0.728 29.480 28.738 0.023 0.000 1.133 260 Q HN 0.588 nan 8.270 nan 0.000 0.489 261 V N 1.748 121.690 119.914 0.047 0.000 2.763 261 V HA 0.210 4.330 4.120 0.000 0.000 0.306 261 V C 0.471 176.594 176.094 0.048 0.000 1.059 261 V CA 0.651 62.989 62.300 0.063 0.000 1.138 261 V CB 0.616 32.501 31.823 0.102 0.000 0.940 261 V HN 0.390 nan 8.190 nan 0.000 0.489 262 E N 4.939 125.153 120.200 0.023 0.000 2.281 262 E HA 0.635 4.985 4.350 0.000 0.000 0.266 262 E C -0.602 175.932 176.600 -0.110 0.000 0.893 262 E CA -0.834 55.554 56.400 -0.020 0.000 0.798 262 E CB 1.484 31.180 29.700 -0.008 0.000 1.245 262 E HN 0.747 nan 8.360 nan 0.000 0.410 263 M N 0.955 120.427 119.600 -0.214 0.000 2.243 263 M HA 0.440 4.920 4.480 0.000 0.000 0.341 263 M C 0.057 176.122 176.300 -0.392 0.000 1.130 263 M CA -0.096 54.902 55.300 -0.504 0.000 1.162 263 M CB 0.387 32.479 32.600 -0.846 0.000 1.497 263 M HN 0.498 nan 8.290 nan 0.000 0.456 264 Q N 2.182 121.681 119.800 -0.502 0.000 2.309 264 Q HA 0.536 4.876 4.340 0.000 0.000 0.270 264 Q C -1.643 174.012 176.000 -0.574 0.000 1.023 264 Q CA -0.392 55.192 55.803 -0.365 0.000 0.758 264 Q CB 1.821 30.495 28.738 -0.107 0.000 1.247 264 Q HN 0.528 nan 8.270 nan 0.000 0.455 265 F N 1.899 121.568 119.950 -0.470 0.000 2.379 265 F HA 0.594 5.121 4.527 0.000 0.000 0.332 265 F C -0.166 175.214 175.800 -0.700 0.000 1.096 265 F CA -0.466 57.314 58.000 -0.367 0.000 1.105 265 F CB 0.689 39.566 39.000 -0.204 0.000 1.189 265 F HN 0.371 nan 8.300 nan 0.000 0.515 266 F N -0.072 119.944 119.950 0.111 0.000 2.613 266 F HA 0.646 5.173 4.527 0.000 0.000 0.310 266 F C -0.129 175.698 175.800 0.043 0.000 1.085 266 F CA -0.718 57.309 58.000 0.044 0.000 0.945 266 F CB 2.201 41.196 39.000 -0.008 0.000 1.298 266 F HN 0.306 nan 8.300 nan 0.000 0.455 267 S N -0.559 115.269 115.700 0.214 0.000 2.651 267 S HA 0.582 5.052 4.470 0.000 0.000 0.279 267 S C 0.099 174.754 174.600 0.092 0.000 1.148 267 S CA -0.489 57.780 58.200 0.116 0.000 0.837 267 S CB 1.858 65.097 63.200 0.066 0.000 1.138 267 S HN 0.764 nan 8.310 nan 0.000 0.478 268 T N 0.365 114.949 114.554 0.051 0.000 4.971 268 T HA 0.467 4.817 4.350 0.000 0.000 0.217 268 T C 0.921 175.638 174.700 0.029 0.000 0.770 268 T CA 0.886 63.006 62.100 0.034 0.000 2.187 268 T CB -1.185 67.693 68.868 0.016 0.000 1.552 268 T HN 0.882 nan 8.240 nan 0.000 0.277 279 L N -0.145 121.075 121.223 -0.005 0.000 2.999 279 L HA 0.490 4.830 4.340 0.000 0.000 0.304 279 L C 1.171 178.038 176.870 -0.005 0.000 1.104 279 L CA 1.534 56.369 54.840 -0.008 0.000 0.911 279 L CB -1.398 40.649 42.059 -0.020 0.000 1.341 279 L HN 2.408 nan 8.230 nan 0.000 0.487 280 T N 3.831 118.391 114.554 0.010 0.000 3.548 280 T HA 0.628 4.978 4.350 0.000 0.000 0.329 280 T C -2.084 172.649 174.700 0.054 0.000 0.960 280 T CA -0.787 61.330 62.100 0.028 0.000 1.041 280 T CB 0.783 69.677 68.868 0.043 0.000 1.065 280 T HN 0.743 nan 8.240 nan 0.000 0.459 281 P HA 0.331 nan 4.420 nan 0.000 0.261 281 P C 0.854 178.240 177.300 0.143 0.000 1.183 281 P CA 0.135 63.321 63.100 0.144 0.000 0.761 281 P CB 0.667 32.520 31.700 0.255 0.000 0.785 282 K N 1.983 122.448 120.400 0.108 0.000 2.323 282 K HA 0.251 4.571 4.320 0.000 0.000 0.197 282 K C 0.765 177.411 176.600 0.077 0.000 1.043 282 K CA 0.776 57.085 56.287 0.037 0.000 0.997 282 K CB 0.182 32.681 32.500 -0.001 0.000 0.807 282 K HN 0.398 nan 8.250 nan 0.000 0.497 283 V N -0.064 119.935 119.914 0.141 0.000 2.925 283 V HA 0.659 4.779 4.120 0.000 0.000 0.311 283 V C -1.386 174.809 176.094 0.169 0.000 1.104 283 V CA -0.716 61.666 62.300 0.137 0.000 0.954 283 V CB 1.973 33.842 31.823 0.077 0.000 1.022 283 V HN 0.296 nan 8.190 nan 0.000 0.427 284 V N 5.742 125.688 119.914 0.054 0.000 2.686 284 V HA 0.717 4.837 4.120 0.000 0.000 0.306 284 V C -1.606 174.388 176.094 -0.167 0.000 1.065 284 V CA -0.320 61.856 62.300 -0.207 0.000 0.894 284 V CB 1.887 33.420 31.823 -0.484 0.000 1.004 284 V HN 0.728 nan 8.190 nan 0.000 0.424 285 L N 6.151 127.239 121.223 -0.225 0.000 2.346 285 L HA 0.586 4.926 4.340 0.000 0.000 0.274 285 L C -1.384 175.315 176.870 -0.284 0.000 1.007 285 L CA -0.751 54.026 54.840 -0.105 0.000 0.818 285 L CB 2.271 44.338 42.059 0.013 0.000 1.284 285 L HN 0.658 nan 8.230 nan 0.000 0.424 286 Y N 1.009 121.259 120.300 -0.083 0.000 2.676 286 Y HA 0.195 4.745 4.550 0.000 0.000 0.338 286 Y C 0.858 176.735 175.900 -0.039 0.000 1.057 286 Y CA -0.651 57.401 58.100 -0.080 0.000 1.314 286 Y CB 0.786 39.191 38.460 -0.092 0.000 1.164 286 Y HN 0.501 nan 8.280 nan 0.000 0.509 287 S N 3.153 118.873 115.700 0.033 0.000 2.548 287 S HA 0.536 5.006 4.470 0.000 0.000 0.277 287 S C -0.291 174.341 174.600 0.054 0.000 1.315 287 S CA -0.563 57.665 58.200 0.046 0.000 1.050 287 S CB 0.928 64.147 63.200 0.032 0.000 0.918 287 S HN 0.745 nan 8.310 nan 0.000 0.497 288 E N 1.132 121.364 120.200 0.053 0.000 2.423 288 E HA 0.409 4.759 4.350 0.000 0.000 0.280 288 E C -2.062 174.560 176.600 0.037 0.000 1.030 288 E CA -1.009 55.418 56.400 0.044 0.000 0.812 288 E CB 0.901 30.628 29.700 0.046 0.000 1.313 288 E HN 0.463 nan 8.360 nan 0.000 0.456 289 D N 1.225 121.642 120.400 0.028 0.000 2.256 289 D HA 0.427 5.067 4.640 0.000 0.000 0.240 289 D C -0.456 175.848 176.300 0.006 0.000 1.062 289 D CA -0.291 53.722 54.000 0.021 0.000 0.832 289 D CB 1.984 42.796 40.800 0.021 0.000 1.135 289 D HN 0.454 nan 8.370 nan 0.000 0.484 290 V N -0.383 119.528 119.914 -0.004 0.000 3.046 290 V HA 0.501 4.621 4.120 0.000 0.000 0.316 290 V C 0.003 176.076 176.094 -0.035 0.000 1.104 290 V CA -0.885 61.397 62.300 -0.029 0.000 1.006 290 V CB 2.354 34.147 31.823 -0.050 0.000 1.058 290 V HN 0.292 nan 8.190 nan 0.000 0.440 291 D N 2.154 122.519 120.400 -0.058 0.000 2.619 291 D HA 0.225 4.865 4.640 0.000 0.000 0.224 291 D C 0.030 176.290 176.300 -0.068 0.000 1.133 291 D CA -0.067 53.905 54.000 -0.048 0.000 1.017 291 D CB 0.035 40.810 40.800 -0.042 0.000 1.077 291 D HN 0.662 nan 8.370 nan 0.000 0.503 292 I N 2.440 122.981 120.570 -0.048 0.000 2.618 292 I HA -0.030 4.140 4.170 0.000 0.000 0.284 292 I C 0.249 176.359 176.117 -0.011 0.000 1.146 292 I CA 0.546 61.819 61.300 -0.045 0.000 1.425 292 I CB 0.305 38.291 38.000 -0.022 0.000 1.383 292 I HN 0.225 nan 8.210 nan 0.000 0.562 293 E N 3.707 123.908 120.200 0.002 0.000 2.433 293 E HA 0.571 4.921 4.350 0.000 0.000 0.273 293 E C -1.048 175.575 176.600 0.038 0.000 0.950 293 E CA -0.905 55.521 56.400 0.044 0.000 0.796 293 E CB 1.683 31.441 29.700 0.097 0.000 1.330 293 E HN 0.461 nan 8.360 nan 0.000 0.455 294 T N -2.236 112.344 114.554 0.043 0.000 3.631 294 T HA 0.247 4.597 4.350 0.000 0.000 0.256 294 T C -2.313 172.424 174.700 0.061 0.000 1.187 294 T CA -1.248 60.882 62.100 0.051 0.000 1.667 294 T CB 0.481 69.385 68.868 0.060 0.000 0.804 294 T HN 0.187 nan 8.240 nan 0.000 0.639 295 P HA 0.035 nan 4.420 nan 0.000 0.225 295 P C 0.430 177.761 177.300 0.052 0.000 1.148 295 P CA 1.211 64.338 63.100 0.045 0.000 0.779 295 P CB 0.050 31.764 31.700 0.024 0.000 0.780 296 D N -2.264 118.192 120.400 0.093 0.000 2.594 296 D HA 0.063 4.703 4.640 0.000 0.000 0.256 296 D C 0.018 176.369 176.300 0.086 0.000 1.393 296 D CA -0.265 53.768 54.000 0.055 0.000 0.797 296 D CB -0.368 40.464 40.800 0.053 0.000 1.110 296 D HN 0.126 nan 8.370 nan 0.000 0.495 297 T N -2.736 111.892 114.554 0.124 0.000 2.865 297 T HA 0.644 4.994 4.350 0.000 0.000 0.294 297 T C -0.627 174.205 174.700 0.220 0.000 1.119 297 T CA -0.831 61.371 62.100 0.171 0.000 1.007 297 T CB 2.587 71.533 68.868 0.130 0.000 1.225 297 T HN 0.311 nan 8.240 nan 0.000 0.515 298 H N -0.601 118.500 119.070 0.051 0.000 2.977 298 H HA 0.531 5.087 4.556 0.000 0.000 0.350 298 H C -1.183 174.162 175.328 0.029 0.000 1.238 298 H CA -1.458 54.603 56.048 0.022 0.000 1.124 298 H CB 0.801 30.553 29.762 -0.017 0.000 1.866 298 H HN 0.579 nan 8.280 nan 0.000 0.550 299 I N 2.775 123.348 120.570 0.004 0.000 2.379 299 I HA -0.034 4.136 4.170 0.000 0.000 0.290 299 I C 1.569 177.632 176.117 -0.091 0.000 1.063 299 I CA 0.174 61.443 61.300 -0.052 0.000 1.351 299 I CB 0.999 38.987 38.000 -0.020 0.000 1.410 299 I HN 0.751 nan 8.210 nan 0.000 0.505 300 S N 6.034 121.661 115.700 -0.122 0.000 2.528 300 S HA -0.037 4.433 4.470 0.000 0.000 0.219 300 S C 0.216 174.864 174.600 0.081 0.000 0.985 300 S CA 0.246 58.400 58.200 -0.076 0.000 0.914 300 S CB -0.052 63.078 63.200 -0.117 0.000 0.776 300 S HN 0.618 nan 8.310 nan 0.000 0.526 301 Y N 1.159 121.416 120.300 -0.072 0.000 2.294 301 Y HA 0.546 5.096 4.550 0.000 0.000 0.329 301 Y C -1.169 174.703 175.900 -0.046 0.000 1.135 301 Y CA -1.199 56.870 58.100 -0.050 0.000 1.213 301 Y CB 0.979 39.406 38.460 -0.056 0.000 1.141 301 Y HN 0.057 nan 8.280 nan 0.000 0.446 302 M N 8.617 127.878 119.600 -0.565 0.000 2.084 302 M HA 0.352 4.832 4.480 0.000 0.000 0.351 302 M C -1.949 173.875 176.300 -0.794 0.000 1.240 302 M CA -2.808 52.188 55.300 -0.506 0.000 1.083 302 M CB 1.138 33.583 32.600 -0.258 0.000 1.593 302 M HN 0.444 nan 8.290 nan 0.000 0.463 303 P HA 0.089 nan 4.420 nan 0.000 0.235 303 P C -0.660 176.494 177.300 -0.244 0.000 1.177 303 P CA 0.640 63.454 63.100 -0.476 0.000 0.785 303 P CB 0.435 32.006 31.700 -0.215 0.000 0.885 304 T N -2.112 112.318 114.554 -0.208 0.000 3.097 304 T HA 0.423 4.773 4.350 0.000 0.000 0.332 304 T C 0.505 175.140 174.700 -0.109 0.000 1.269 304 T CA -0.424 61.597 62.100 -0.131 0.000 1.076 304 T CB 1.090 69.897 68.868 -0.102 0.000 1.209 304 T HN -0.178 nan 8.240 nan 0.000 0.474 305 I N -0.785 119.736 120.570 -0.081 0.000 3.688 305 I HA 0.696 4.866 4.170 0.000 0.000 0.307 305 I C 0.992 177.081 176.117 -0.047 0.000 1.287 305 I CA -0.076 61.188 61.300 -0.061 0.000 1.192 305 I CB -2.033 35.939 38.000 -0.047 0.000 1.043 305 I HN 0.867 nan 8.210 nan 0.000 0.442 306 K N 0.872 121.240 120.400 -0.053 0.000 2.293 306 K HA 0.763 5.083 4.320 0.000 0.000 0.267 306 K C 0.259 176.836 176.600 -0.038 0.000 1.010 306 K CA 0.128 56.391 56.287 -0.039 0.000 0.875 306 K CB -0.430 32.048 32.500 -0.038 0.000 1.106 306 K HN 1.475 nan 8.250 nan 0.000 0.450 307 E N 0.258 120.443 120.200 -0.024 0.000 2.447 307 E HA 0.515 4.865 4.350 0.000 0.000 0.259 307 E C 0.994 177.587 176.600 -0.011 0.000 1.196 307 E CA 0.291 56.681 56.400 -0.017 0.000 0.995 307 E CB -0.247 29.449 29.700 -0.007 0.000 0.974 307 E HN 2.400 nan 8.360 nan 0.000 0.465 308 G N 0.525 109.324 108.800 -0.002 0.000 2.722 308 G HA2 -0.075 3.885 3.960 0.000 0.000 0.686 308 G HA3 -0.075 3.885 3.960 0.000 0.000 0.686 308 G C -0.360 174.541 174.900 0.002 0.000 1.282 308 G CA -0.223 44.885 45.100 0.013 0.000 0.817 308 G HN 0.958 nan 8.290 nan 0.000 0.605 309 N N 0.188 118.906 118.700 0.031 0.000 2.492 309 N HA 0.566 5.306 4.740 0.000 0.000 0.262 309 N C 0.565 176.070 175.510 -0.009 0.000 1.202 309 N CA 0.673 53.733 53.050 0.017 0.000 0.926 309 N CB 1.511 40.061 38.487 0.106 0.000 1.078 309 N HN 1.336 nan 8.380 nan 0.000 0.454 310 S N -0.645 114.917 115.700 -0.230 0.000 2.588 310 S HA 0.620 5.090 4.470 0.000 0.000 0.269 310 S C 0.949 174.989 174.600 -0.933 0.000 1.157 310 S CA -0.315 57.634 58.200 -0.418 0.000 0.824 310 S CB 1.017 64.102 63.200 -0.192 0.000 1.126 310 S HN 0.574 nan 8.310 nan 0.000 0.464 311 R N 0.391 120.230 120.500 -1.101 0.000 2.139 311 R HA 0.039 4.379 4.340 0.000 0.000 0.243 311 R C 2.478 178.430 176.300 -0.580 0.000 1.145 311 R CA 3.252 58.729 56.100 -1.038 0.000 0.976 311 R CB -2.385 27.676 30.300 -0.397 0.000 0.866 311 R HN 1.240 nan 8.270 nan 0.000 0.449 312 E N 1.097 121.071 120.200 -0.377 0.000 2.070 312 E HA -0.088 4.262 4.350 0.000 0.000 0.197 312 E C 2.167 178.626 176.600 -0.234 0.000 1.004 312 E CA 1.444 57.702 56.400 -0.238 0.000 0.805 312 E CB -0.676 28.923 29.700 -0.169 0.000 0.744 312 E HN 0.662 nan 8.360 nan 0.000 0.451 313 L N -0.218 120.843 121.223 -0.270 0.000 2.450 313 L HA -0.065 4.275 4.340 0.000 0.000 0.224 313 L C 2.781 179.522 176.870 -0.214 0.000 1.149 313 L CA 0.716 55.428 54.840 -0.214 0.000 0.816 313 L CB -0.294 41.654 42.059 -0.184 0.000 0.932 313 L HN 0.381 nan 8.230 nan 0.000 0.449 314 M N -0.824 118.589 119.600 -0.311 0.000 2.460 314 M HA -0.073 4.407 4.480 0.000 0.000 0.263 314 M C 1.816 178.005 176.300 -0.184 0.000 1.071 314 M CA 1.313 56.432 55.300 -0.302 0.000 1.096 314 M CB -0.531 31.784 32.600 -0.475 0.000 1.408 314 M HN 0.336 nan 8.290 nan 0.000 0.463 315 G N 0.435 109.163 108.800 -0.120 0.000 3.088 315 G HA2 0.059 4.019 3.960 0.000 0.000 0.217 315 G HA3 0.059 4.019 3.960 0.000 0.000 0.217 315 G C 0.386 175.352 174.900 0.110 0.000 1.159 315 G CA -0.403 44.692 45.100 -0.009 0.000 0.760 315 G HN 0.579 nan 8.290 nan 0.000 0.550 316 Q N 0.044 119.861 119.800 0.029 0.000 2.392 316 Q HA 0.437 4.777 4.340 0.000 0.000 0.262 316 Q C -0.756 175.292 176.000 0.080 0.000 1.003 316 Q CA 0.054 55.889 55.803 0.054 0.000 0.888 316 Q CB 0.795 29.506 28.738 -0.046 0.000 1.260 316 Q HN 0.218 nan 8.270 nan 0.000 0.435 317 Q N 0.939 120.806 119.800 0.112 0.000 2.342 317 Q HA 0.476 4.816 4.340 0.000 0.000 0.267 317 Q C -1.239 174.761 176.000 -0.001 0.000 1.038 317 Q CA -0.646 55.184 55.803 0.045 0.000 0.832 317 Q CB 2.495 31.251 28.738 0.030 0.000 1.323 317 Q HN 0.717 nan 8.270 nan 0.000 0.448 318 S N 2.335 118.028 115.700 -0.012 0.000 2.549 318 S HA 0.785 5.255 4.470 0.000 0.000 0.297 318 S C -0.991 173.573 174.600 -0.059 0.000 1.115 318 S CA -0.627 57.582 58.200 0.015 0.000 1.059 318 S CB 0.822 64.137 63.200 0.192 0.000 1.046 318 S HN 0.664 nan 8.310 nan 0.000 0.506 319 M N 5.013 124.550 119.600 -0.105 0.000 2.378 319 M HA 0.518 4.998 4.480 0.000 0.000 0.289 319 M C -2.834 173.467 176.300 0.002 0.000 1.136 319 M CA -2.015 53.210 55.300 -0.124 0.000 0.917 319 M CB 2.360 34.788 32.600 -0.286 0.000 1.669 319 M HN 0.408 nan 8.290 nan 0.000 0.461 320 P HA 0.110 nan 4.420 nan 0.000 0.269 320 P C -1.231 176.173 177.300 0.174 0.000 1.209 320 P CA 0.002 63.221 63.100 0.199 0.000 0.776 320 P CB 0.263 32.079 31.700 0.194 0.000 0.876 321 N N 1.725 120.512 118.700 0.146 0.000 2.503 321 N HA 0.155 4.895 4.740 0.000 0.000 0.267 321 N C 0.405 175.885 175.510 -0.049 0.000 1.214 321 N CA -0.261 52.844 53.050 0.092 0.000 0.959 321 N CB 0.215 38.747 38.487 0.074 0.000 1.142 321 N HN 0.256 nan 8.380 nan 0.000 0.455 322 R N 1.584 122.011 120.500 -0.121 0.000 2.570 322 R HA 0.131 4.471 4.340 0.000 0.000 0.277 322 R C -1.995 174.197 176.300 -0.180 0.000 1.039 322 R CA -1.001 54.981 56.100 -0.198 0.000 1.065 322 R CB -0.190 29.927 30.300 -0.305 0.000 0.964 322 R HN 0.400 nan 8.270 nan 0.000 0.428 323 P HA 0.001 nan 4.420 nan 0.000 0.268 323 P C -0.850 176.282 177.300 -0.279 0.000 1.205 323 P CA -0.001 62.872 63.100 -0.378 0.000 0.771 323 P CB 0.532 32.012 31.700 -0.366 0.000 0.858 324 N N 2.034 120.468 118.700 -0.443 0.000 2.621 324 N HA 0.213 4.953 4.740 0.000 0.000 0.271 324 N C -1.700 173.642 175.510 -0.280 0.000 1.181 324 N CA -0.457 52.447 53.050 -0.242 0.000 0.805 324 N CB 0.151 38.567 38.487 -0.118 0.000 1.351 324 N HN 0.133 nan 8.380 nan 0.000 0.539 325 Y N 2.612 122.946 120.300 0.058 0.000 2.319 325 Y HA 0.465 5.015 4.550 0.000 0.000 0.328 325 Y C 0.607 176.619 175.900 0.186 0.000 1.133 325 Y CA -0.074 58.129 58.100 0.172 0.000 1.265 325 Y CB 0.900 39.450 38.460 0.150 0.000 1.218 325 Y HN 0.287 nan 8.280 nan 0.000 0.508 326 I N 2.819 123.636 120.570 0.411 0.000 2.534 326 I HA 0.771 4.941 4.170 0.000 0.000 0.288 326 I C -0.487 175.586 176.117 -0.073 0.000 1.077 326 I CA -0.694 60.660 61.300 0.090 0.000 1.051 326 I CB 1.769 39.755 38.000 -0.024 0.000 1.234 326 I HN 0.725 nan 8.210 nan 0.000 0.425 327 A N 4.642 127.395 122.820 -0.112 0.000 2.511 327 A HA 0.734 5.054 4.320 0.000 0.000 0.293 327 A C -1.504 175.980 177.584 -0.167 0.000 1.098 327 A CA -0.591 51.343 52.037 -0.173 0.000 0.643 327 A CB 0.661 19.640 19.000 -0.036 0.000 1.302 327 A HN 0.402 nan 8.150 nan 0.000 0.446 328 F N 1.225 121.152 119.950 -0.039 0.000 2.444 328 F HA 0.467 4.994 4.527 0.000 0.000 0.331 328 F C 1.555 177.334 175.800 -0.036 0.000 1.167 328 F CA 0.585 58.592 58.000 0.013 0.000 1.262 328 F CB 0.619 39.715 39.000 0.160 0.000 1.196 328 F HN 0.531 nan 8.300 nan 0.000 0.583 329 R N 0.152 120.778 120.500 0.211 0.000 2.583 329 R HA 0.150 4.490 4.340 0.000 0.000 0.268 329 R C -0.810 175.459 176.300 -0.051 0.000 1.101 329 R CA -0.919 55.226 56.100 0.075 0.000 1.180 329 R CB 0.197 30.561 30.300 0.108 0.000 1.128 329 R HN 0.496 nan 8.270 nan 0.000 0.568 330 D N 1.287 121.662 120.400 -0.043 0.000 2.472 330 D HA -0.079 4.561 4.640 0.000 0.000 0.248 330 D C -0.198 176.071 176.300 -0.051 0.000 1.174 330 D CA 0.685 54.642 54.000 -0.073 0.000 0.883 330 D CB 0.170 40.953 40.800 -0.029 0.000 1.149 330 D HN 0.483 nan 8.370 nan 0.000 0.488 331 N N 3.556 122.188 118.700 -0.114 0.000 2.741 331 N HA -0.266 4.474 4.740 0.000 0.000 0.251 331 N C -0.054 175.503 175.510 0.079 0.000 1.112 331 N CA 0.878 53.932 53.050 0.007 0.000 0.750 331 N CB -1.459 37.130 38.487 0.169 0.000 1.119 331 N HN 0.558 nan 8.380 nan 0.000 0.561 332 F N -1.832 118.179 119.950 0.102 0.000 3.093 332 F HA -0.252 4.275 4.527 0.000 0.000 0.287 332 F C 0.987 176.852 175.800 0.109 0.000 0.882 332 F CA 0.202 58.254 58.000 0.088 0.000 1.063 332 F CB -2.082 36.944 39.000 0.042 0.000 1.097 332 F HN 0.204 nan 8.300 nan 0.000 0.604 333 I N 0.393 121.097 120.570 0.222 0.000 2.880 333 I HA 0.137 4.307 4.170 0.000 0.000 0.296 333 I C 1.644 177.883 176.117 0.205 0.000 1.220 333 I CA 1.605 63.023 61.300 0.195 0.000 1.435 333 I CB 0.048 38.131 38.000 0.139 0.000 1.339 333 I HN 0.560 nan 8.210 nan 0.000 0.583 334 G N 4.318 113.222 108.800 0.173 0.000 2.320 334 G HA2 -0.307 3.653 3.960 0.000 0.000 0.242 334 G HA3 -0.307 3.653 3.960 0.000 0.000 0.242 334 G C 0.900 175.850 174.900 0.082 0.000 1.033 334 G CA 0.403 45.571 45.100 0.113 0.000 0.620 334 G HN 0.572 nan 8.290 nan 0.000 0.517 335 L N 0.188 121.512 121.223 0.169 0.000 1.989 335 L HA 0.127 4.467 4.340 0.000 0.000 0.211 335 L C 1.912 178.824 176.870 0.071 0.000 1.071 335 L CA 1.651 56.603 54.840 0.186 0.000 0.749 335 L CB -0.217 41.966 42.059 0.207 0.000 0.890 335 L HN 0.440 nan 8.230 nan 0.000 0.431 336 M N -2.067 117.498 119.600 -0.059 0.000 2.367 336 M HA 0.209 4.689 4.480 0.000 0.000 0.339 336 M C -1.065 175.035 176.300 -0.333 0.000 1.177 336 M CA -0.375 54.742 55.300 -0.305 0.000 1.068 336 M CB 1.358 33.646 32.600 -0.520 0.000 1.602 336 M HN -0.176 nan 8.290 nan 0.000 0.457 337 Y N 1.304 121.437 120.300 -0.277 0.000 2.319 337 Y HA 0.329 4.879 4.550 0.000 0.000 0.328 337 Y C -0.890 174.849 175.900 -0.268 0.000 1.133 337 Y CA 0.472 58.459 58.100 -0.188 0.000 1.265 337 Y CB 0.583 38.932 38.460 -0.184 0.000 1.218 337 Y HN 0.394 nan 8.280 nan 0.000 0.508 338 Y N -0.183 120.279 120.300 0.270 0.000 2.571 338 Y HA 0.212 4.762 4.550 0.000 0.000 0.341 338 Y C -0.065 175.938 175.900 0.172 0.000 1.076 338 Y CA -2.556 55.680 58.100 0.226 0.000 1.029 338 Y CB 1.433 40.053 38.460 0.268 0.000 1.308 338 Y HN 0.683 nan 8.280 nan 0.000 0.461 339 N N -0.395 118.499 118.700 0.324 0.000 2.716 339 N HA -0.172 4.568 4.740 0.000 0.000 0.250 339 N C -0.692 174.907 175.510 0.148 0.000 1.033 339 N CA 0.979 54.164 53.050 0.224 0.000 0.727 339 N CB -1.230 37.415 38.487 0.264 0.000 0.950 339 N HN 0.812 nan 8.380 nan 0.000 0.541 340 S N -0.958 114.796 115.700 0.090 0.000 2.756 340 S HA 0.537 5.007 4.470 0.000 0.000 0.303 340 S C 1.143 175.712 174.600 -0.052 0.000 1.135 340 S CA -0.622 57.605 58.200 0.045 0.000 1.066 340 S CB 0.976 64.245 63.200 0.115 0.000 1.008 340 S HN 0.120 nan 8.310 nan 0.000 0.482 341 T N 2.532 117.058 114.554 -0.047 0.000 2.803 341 T HA -0.063 4.287 4.350 0.000 0.000 0.269 341 T C 2.134 176.763 174.700 -0.119 0.000 1.052 341 T CA 2.036 64.088 62.100 -0.081 0.000 1.136 341 T CB -0.255 68.581 68.868 -0.052 0.000 0.864 341 T HN 0.823 nan 8.240 nan 0.000 0.467 342 G N 1.391 110.122 108.800 -0.114 0.000 2.448 342 G HA2 -0.086 3.874 3.960 0.000 0.000 0.218 342 G HA3 -0.086 3.874 3.960 0.000 0.000 0.218 342 G C 0.933 175.690 174.900 -0.237 0.000 1.135 342 G CA 0.134 45.150 45.100 -0.140 0.000 0.784 342 G HN 0.475 nan 8.290 nan 0.000 0.543 343 N N 0.259 118.759 118.700 -0.332 0.000 2.644 343 N HA 0.198 4.938 4.740 0.000 0.000 0.313 343 N C -0.612 174.604 175.510 -0.490 0.000 1.863 343 N CA -0.203 52.539 53.050 -0.514 0.000 0.918 343 N CB 0.978 38.836 38.487 -1.050 0.000 1.320 343 N HN 0.217 nan 8.380 nan 0.000 0.490 344 M N 1.180 120.531 119.600 -0.416 0.000 2.219 344 M HA 0.220 4.700 4.480 0.000 0.000 0.353 344 M C 0.899 176.770 176.300 -0.714 0.000 1.304 344 M CA -0.114 54.892 55.300 -0.490 0.000 1.115 344 M CB 0.637 33.032 32.600 -0.340 0.000 1.664 344 M HN 0.227 nan 8.290 nan 0.000 0.459 345 G N 3.320 111.400 108.800 -1.199 0.000 2.699 345 G HA2 0.443 4.403 3.960 0.000 0.000 0.246 345 G HA3 0.443 4.403 3.960 0.000 0.000 0.246 345 G C -1.165 173.288 174.900 -0.744 0.000 1.219 345 G CA -0.626 43.395 45.100 -1.798 0.000 0.866 345 G HN 0.656 nan 8.290 nan 0.000 0.572 346 V N 0.553 120.280 119.914 -0.311 0.000 2.733 346 V HA 0.474 4.594 4.120 0.000 0.000 0.306 346 V C -0.942 175.351 176.094 0.331 0.000 1.084 346 V CA -0.575 61.736 62.300 0.017 0.000 0.905 346 V CB 1.764 33.580 31.823 -0.012 0.000 1.010 346 V HN 0.685 nan 8.190 nan 0.000 0.424 347 L N 4.726 126.123 121.223 0.290 0.000 2.518 347 L HA 0.938 5.278 4.340 0.000 0.000 0.262 347 L C -0.352 176.650 176.870 0.221 0.000 0.982 347 L CA 0.056 55.084 54.840 0.313 0.000 0.873 347 L CB 1.175 43.390 42.059 0.260 0.000 1.198 347 L HN 0.866 nan 8.230 nan 0.000 0.427 348 A N 2.813 125.777 122.820 0.240 0.000 2.515 348 A HA 0.834 5.154 4.320 0.000 0.000 0.298 348 A C -0.182 177.559 177.584 0.260 0.000 1.059 348 A CA -0.207 51.962 52.037 0.220 0.000 0.698 348 A CB 1.309 20.396 19.000 0.145 0.000 1.289 348 A HN 0.816 nan 8.150 nan 0.000 0.404 349 G N 0.066 109.008 108.800 0.237 0.000 2.378 349 G HA2 0.399 4.359 3.960 0.000 0.000 0.255 349 G HA3 0.399 4.359 3.960 0.000 0.000 0.255 349 G C 0.391 175.296 174.900 0.009 0.000 1.270 349 G CA -0.173 44.971 45.100 0.073 0.000 0.876 349 G HN 0.824 nan 8.290 nan 0.000 0.521 350 Q N 1.742 121.506 119.800 -0.059 0.000 2.234 350 Q HA -0.161 4.179 4.340 0.000 0.000 0.206 350 Q C 2.595 178.579 176.000 -0.026 0.000 0.980 350 Q CA 1.484 57.271 55.803 -0.027 0.000 0.869 350 Q CB -0.015 28.697 28.738 -0.042 0.000 0.912 350 Q HN 0.673 nan 8.270 nan 0.000 0.436 351 A N -0.301 122.489 122.820 -0.050 0.000 2.218 351 A HA 0.133 4.453 4.320 0.000 0.000 0.209 351 A C 2.037 179.623 177.584 0.003 0.000 1.168 351 A CA 1.170 53.189 52.037 -0.030 0.000 0.804 351 A CB -0.130 18.841 19.000 -0.048 0.000 0.834 351 A HN 0.388 nan 8.150 nan 0.000 0.482 352 S N -2.789 112.925 115.700 0.024 0.000 2.564 352 S HA 0.377 4.847 4.470 0.000 0.000 0.231 352 S C 1.482 176.112 174.600 0.050 0.000 1.067 352 S CA 1.692 59.923 58.200 0.050 0.000 0.908 352 S CB -0.065 63.184 63.200 0.082 0.000 0.809 352 S HN 1.597 nan 8.310 nan 0.000 0.491 353 Q N -0.703 119.126 119.800 0.049 0.000 2.264 353 Q HA -0.172 4.168 4.340 0.000 0.000 0.207 353 Q C 0.580 176.611 176.000 0.052 0.000 0.702 353 Q CA 1.417 57.246 55.803 0.045 0.000 1.411 353 Q CB -2.669 26.085 28.738 0.027 0.000 1.717 353 Q HN 0.912 nan 8.270 nan 0.000 0.683 354 L N 1.735 123.000 121.223 0.069 0.000 2.292 354 L HA 0.627 4.967 4.340 0.000 0.000 0.284 354 L C 0.040 176.966 176.870 0.093 0.000 1.065 354 L CA -0.562 54.323 54.840 0.075 0.000 0.806 354 L CB 1.444 43.554 42.059 0.085 0.000 1.175 354 L HN 0.548 nan 8.230 nan 0.000 0.431 355 N N 3.486 122.233 118.700 0.078 0.000 2.411 355 N HA 0.197 4.937 4.740 0.000 0.000 0.259 355 N C 0.721 176.309 175.510 0.130 0.000 1.103 355 N CA 0.476 53.578 53.050 0.087 0.000 0.954 355 N CB 1.414 39.920 38.487 0.033 0.000 1.085 355 N HN 0.695 nan 8.380 nan 0.000 0.485 356 A N 3.507 126.427 122.820 0.167 0.000 2.067 356 A HA 0.027 4.347 4.320 0.000 0.000 0.219 356 A C 0.618 178.394 177.584 0.320 0.000 1.158 356 A CA 0.532 52.704 52.037 0.225 0.000 0.661 356 A CB -0.021 19.087 19.000 0.179 0.000 0.801 356 A HN 0.451 nan 8.150 nan 0.000 0.452 357 V N 0.839 120.882 119.914 0.215 0.000 2.461 357 V HA 0.367 4.487 4.120 0.000 0.000 0.275 357 V C -0.539 175.542 176.094 -0.021 0.000 1.047 357 V CA -0.106 62.286 62.300 0.155 0.000 0.955 357 V CB 1.262 33.082 31.823 -0.005 0.000 0.988 357 V HN 0.097 nan 8.190 nan 0.000 0.471 358 V N 4.441 124.271 119.914 -0.140 0.000 2.498 358 V HA 0.412 4.532 4.120 0.000 0.000 0.283 358 V C -0.575 175.351 176.094 -0.280 0.000 1.015 358 V CA -0.577 61.504 62.300 -0.365 0.000 0.867 358 V CB 1.598 33.000 31.823 -0.701 0.000 1.025 358 V HN 0.836 nan 8.190 nan 0.000 0.441 359 D N 3.158 123.451 120.400 -0.177 0.000 2.384 359 D HA 0.795 5.435 4.640 0.000 0.000 0.250 359 D C -0.819 175.490 176.300 0.015 0.000 1.029 359 D CA -0.256 53.727 54.000 -0.027 0.000 0.990 359 D CB 2.226 42.961 40.800 -0.109 0.000 1.175 359 D HN 0.356 nan 8.370 nan 0.000 0.532 360 L N 1.227 122.515 121.223 0.108 0.000 2.388 360 L HA 0.340 4.680 4.340 0.000 0.000 0.264 360 L C 1.318 178.257 176.870 0.115 0.000 0.998 360 L CA -0.729 54.168 54.840 0.095 0.000 0.817 360 L CB 2.163 44.292 42.059 0.117 0.000 1.338 360 L HN 0.265 nan 8.230 nan 0.000 0.414 361 Q N 0.054 119.904 119.800 0.084 0.000 2.297 361 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 361 Q C 0.469 176.537 176.000 0.113 0.000 0.962 361 Q CA 0.979 56.834 55.803 0.087 0.000 0.879 361 Q CB 0.237 29.003 28.738 0.047 0.000 0.947 361 Q HN 0.621 nan 8.270 nan 0.000 0.462 362 D N 0.373 120.842 120.400 0.114 0.000 2.317 362 D HA -0.030 4.610 4.640 0.000 0.000 0.211 362 D C 0.408 176.803 176.300 0.158 0.000 0.966 362 D CA 0.397 54.471 54.000 0.125 0.000 0.876 362 D CB 0.246 41.109 40.800 0.105 0.000 0.927 362 D HN 0.020 nan 8.370 nan 0.000 0.519 363 R N 0.312 120.920 120.500 0.181 0.000 2.500 363 R HA 0.257 4.597 4.340 0.000 0.000 0.277 363 R C -0.566 175.855 176.300 0.200 0.000 1.026 363 R CA -0.483 55.732 56.100 0.192 0.000 1.058 363 R CB 0.633 31.087 30.300 0.257 0.000 1.078 363 R HN -0.202 nan 8.270 nan 0.000 0.509 364 N N 1.301 120.086 118.700 0.142 0.000 2.804 364 N HA 0.114 4.854 4.740 0.000 0.000 0.251 364 N C -0.307 175.234 175.510 0.052 0.000 1.250 364 N CA -0.152 52.947 53.050 0.081 0.000 0.820 364 N CB 1.296 39.746 38.487 -0.062 0.000 1.156 364 N HN 0.561 nan 8.380 nan 0.000 0.512 365 T N 0.871 115.476 114.554 0.086 0.000 2.674 365 T HA -0.107 4.243 4.350 0.000 0.000 0.265 365 T C 1.370 176.029 174.700 -0.067 0.000 1.039 365 T CA 1.184 63.271 62.100 -0.021 0.000 1.150 365 T CB 0.169 68.925 68.868 -0.186 0.000 0.864 365 T HN 0.444 nan 8.240 nan 0.000 0.427 366 E N 0.843 121.031 120.200 -0.020 0.000 2.058 366 E HA -0.125 4.225 4.350 0.000 0.000 0.194 366 E C 2.275 178.892 176.600 0.027 0.000 0.997 366 E CA 0.922 57.341 56.400 0.031 0.000 0.801 366 E CB -0.574 29.187 29.700 0.102 0.000 0.746 366 E HN 0.295 nan 8.360 nan 0.000 0.450 367 L N 1.117 122.321 121.223 -0.032 0.000 2.046 367 L HA -0.120 4.220 4.340 0.000 0.000 0.208 367 L C 2.527 179.377 176.870 -0.033 0.000 1.077 367 L CA 1.773 56.572 54.840 -0.068 0.000 0.747 367 L CB -0.754 41.243 42.059 -0.103 0.000 0.896 367 L HN -0.004 nan 8.230 nan 0.000 0.432 368 S N -1.743 113.964 115.700 0.011 0.000 2.387 368 S HA -0.309 4.161 4.470 0.000 0.000 0.230 368 S C 2.094 176.725 174.600 0.052 0.000 1.035 368 S CA 1.663 59.900 58.200 0.061 0.000 1.014 368 S CB -0.607 62.627 63.200 0.057 0.000 0.836 368 S HN 0.636 nan 8.310 nan 0.000 0.466 369 Y N 1.675 121.921 120.300 -0.089 0.000 2.314 369 Y HA -0.015 4.535 4.550 0.000 0.000 0.293 369 Y C 2.553 178.379 175.900 -0.125 0.000 1.129 369 Y CA 1.641 59.671 58.100 -0.115 0.000 1.201 369 Y CB -0.292 38.101 38.460 -0.113 0.000 0.999 369 Y HN 0.276 nan 8.280 nan 0.000 0.541 370 Q N 0.085 119.855 119.800 -0.050 0.000 2.050 370 Q HA -0.160 4.180 4.340 0.000 0.000 0.202 370 Q C 2.367 178.250 176.000 -0.196 0.000 0.980 370 Q CA 1.707 57.437 55.803 -0.123 0.000 0.840 370 Q CB -0.518 28.115 28.738 -0.174 0.000 0.898 370 Q HN 0.529 nan 8.270 nan 0.000 0.424 371 L N 0.198 121.283 121.223 -0.229 0.000 2.156 371 L HA -0.145 4.195 4.340 0.000 0.000 0.208 371 L C 2.414 179.007 176.870 -0.462 0.000 1.095 371 L CA 0.353 55.073 54.840 -0.200 0.000 0.770 371 L CB -0.455 41.606 42.059 0.003 0.000 0.914 371 L HN 0.176 nan 8.230 nan 0.000 0.439 372 L N -0.095 120.722 121.223 -0.676 0.000 2.046 372 L HA -0.198 4.142 4.340 0.000 0.000 0.208 372 L C 2.347 178.861 176.870 -0.592 0.000 1.077 372 L CA 1.637 55.891 54.840 -0.976 0.000 0.747 372 L CB -0.313 41.349 42.059 -0.662 0.000 0.896 372 L HN 0.097 nan 8.230 nan 0.000 0.432 373 L N -0.426 120.513 121.223 -0.474 0.000 2.012 373 L HA -0.254 4.086 4.340 0.000 0.000 0.210 373 L C 2.343 179.114 176.870 -0.164 0.000 1.073 373 L CA 1.952 56.600 54.840 -0.320 0.000 0.748 373 L CB -0.816 41.074 42.059 -0.282 0.000 0.891 373 L HN 0.414 nan 8.230 nan 0.000 0.431 374 D N -0.277 120.076 120.400 -0.079 0.000 2.149 374 D HA -0.212 4.428 4.640 0.000 0.000 0.198 374 D C 2.248 178.534 176.300 -0.023 0.000 0.990 374 D CA 1.525 55.533 54.000 0.014 0.000 0.839 374 D CB 0.134 41.068 40.800 0.223 0.000 0.948 374 D HN 0.290 nan 8.370 nan 0.000 0.460 375 S N -0.137 115.505 115.700 -0.097 0.000 2.428 375 S HA -0.120 4.350 4.470 0.000 0.000 0.230 375 S C 2.043 176.616 174.600 -0.045 0.000 1.014 375 S CA 0.873 59.041 58.200 -0.053 0.000 0.957 375 S CB -0.709 62.444 63.200 -0.078 0.000 0.784 375 S HN 0.577 nan 8.310 nan 0.000 0.499 376 I N -2.072 118.440 120.570 -0.097 0.000 3.956 376 I HA 0.589 4.759 4.170 0.000 0.000 0.333 376 I C 0.693 176.784 176.117 -0.043 0.000 1.302 376 I CA -0.108 61.154 61.300 -0.063 0.000 1.122 376 I CB -0.038 37.912 38.000 -0.083 0.000 1.013 376 I HN 0.388 nan 8.210 nan 0.000 0.405 377 G N 0.846 109.623 108.800 -0.039 0.000 2.490 377 G HA2 0.116 4.076 3.960 0.000 0.000 0.308 377 G HA3 0.116 4.076 3.960 0.000 0.000 0.308 377 G C -2.009 172.877 174.900 -0.023 0.000 1.286 377 G CA -0.393 44.691 45.100 -0.027 0.000 0.825 377 G HN 0.050 nan 8.290 nan 0.000 0.479 378 D N 0.056 120.441 120.400 -0.025 0.000 2.479 378 D HA 0.330 4.970 4.640 0.000 0.000 0.218 378 D C 1.454 177.738 176.300 -0.027 0.000 1.131 378 D CA -0.689 53.292 54.000 -0.032 0.000 0.916 378 D CB 0.982 41.757 40.800 -0.042 0.000 1.022 378 D HN 0.188 nan 8.370 nan 0.000 0.515 379 R N 1.137 121.618 120.500 -0.033 0.000 2.355 379 R HA -0.088 4.252 4.340 0.000 0.000 0.219 379 R C 1.846 178.149 176.300 0.004 0.000 1.107 379 R CA 1.032 57.124 56.100 -0.013 0.000 1.021 379 R CB -1.108 29.159 30.300 -0.055 0.000 0.852 379 R HN 0.565 nan 8.270 nan 0.000 0.475 380 T N -2.289 112.240 114.554 -0.041 0.000 3.023 380 T HA 0.066 4.416 4.350 0.000 0.000 0.266 380 T C 0.906 175.517 174.700 -0.148 0.000 1.093 380 T CA 0.142 62.197 62.100 -0.075 0.000 1.129 380 T CB 0.177 68.977 68.868 -0.114 0.000 0.899 380 T HN -0.029 nan 8.240 nan 0.000 0.491 381 R N 1.124 121.572 120.500 -0.086 0.000 2.490 381 R HA 0.354 4.694 4.340 0.000 0.000 0.278 381 R C -0.872 175.490 176.300 0.103 0.000 1.069 381 R CA -0.434 55.596 56.100 -0.117 0.000 1.080 381 R CB 0.386 30.639 30.300 -0.077 0.000 1.030 381 R HN 0.300 nan 8.270 nan 0.000 0.491 382 Y N 1.516 121.743 120.300 -0.120 0.000 2.387 382 Y HA 0.372 4.922 4.550 0.000 0.000 0.330 382 Y C 0.008 175.964 175.900 0.094 0.000 1.133 382 Y CA -1.308 56.715 58.100 -0.127 0.000 1.152 382 Y CB 0.821 38.959 38.460 -0.536 0.000 1.215 382 Y HN 0.357 nan 8.280 nan 0.000 0.466 383 F N 2.242 122.275 119.950 0.139 0.000 2.902 383 F HA 0.230 4.757 4.527 0.000 0.000 0.368 383 F C 1.041 176.889 175.800 0.080 0.000 1.202 383 F CA -1.607 56.446 58.000 0.089 0.000 1.109 383 F CB 0.990 40.042 39.000 0.086 0.000 1.418 383 F HN 0.479 nan 8.300 nan 0.000 0.527 384 S N 5.001 120.810 115.700 0.181 0.000 2.380 384 S HA -0.299 4.171 4.470 0.000 0.000 0.229 384 S C 2.140 176.504 174.600 -0.393 0.000 1.043 384 S CA 1.663 59.847 58.200 -0.027 0.000 1.038 384 S CB -0.561 62.679 63.200 0.067 0.000 0.872 384 S HN 0.791 nan 8.310 nan 0.000 0.456 385 M N -0.031 119.013 119.600 -0.928 0.000 2.113 385 M HA -0.162 4.318 4.480 0.000 0.000 0.255 385 M C 1.245 177.055 176.300 -0.817 0.000 1.073 385 M CA 2.227 56.834 55.300 -1.155 0.000 1.091 385 M CB -0.307 31.206 32.600 -1.812 0.000 1.309 385 M HN 0.610 nan 8.290 nan 0.000 0.407 386 W N -0.679 120.306 121.300 -0.524 0.000 3.330 386 W HA 0.246 4.906 4.660 0.000 0.000 0.348 386 W C 0.473 176.775 176.519 -0.362 0.000 1.205 386 W CA -0.614 56.624 57.345 -0.178 0.000 1.841 386 W CB -0.177 29.221 29.460 -0.103 0.000 1.084 386 W HN 0.374 nan 8.180 nan 0.000 0.665 387 N N 1.260 119.801 118.700 -0.265 0.000 2.747 387 N HA -0.258 4.482 4.740 0.000 0.000 0.249 387 N C 0.020 175.404 175.510 -0.210 0.000 1.107 387 N CA 0.695 53.492 53.050 -0.422 0.000 0.707 387 N CB -1.127 36.629 38.487 -1.219 0.000 1.054 387 N HN 0.339 nan 8.380 nan 0.000 0.555 388 Q N 0.227 120.010 119.800 -0.028 0.000 2.641 388 Q HA 0.459 4.799 4.340 0.000 0.000 0.225 388 Q C -0.752 175.255 176.000 0.011 0.000 1.309 388 Q CA 0.370 56.220 55.803 0.079 0.000 0.935 388 Q CB -0.009 28.894 28.738 0.274 0.000 1.557 388 Q HN 0.411 nan 8.270 nan 0.000 0.563 389 A N 3.698 126.433 122.820 -0.141 0.000 2.768 389 A HA 0.249 4.569 4.320 0.000 0.000 0.299 389 A C -0.725 176.703 177.584 -0.260 0.000 1.171 389 A CA -0.568 51.185 52.037 -0.473 0.000 0.759 389 A CB 1.003 19.520 19.000 -0.805 0.000 1.267 389 A HN 0.484 nan 8.150 nan 0.000 0.421 390 V N 2.570 122.441 119.914 -0.073 0.000 2.814 390 V HA -0.003 4.117 4.120 0.000 0.000 0.307 390 V C 0.053 176.143 176.094 -0.007 0.000 1.089 390 V CA 0.491 62.785 62.300 -0.009 0.000 1.212 390 V CB 0.367 32.206 31.823 0.028 0.000 0.912 390 V HN 0.790 nan 8.190 nan 0.000 0.497 391 D N 4.843 125.238 120.400 -0.008 0.000 2.383 391 D HA 0.370 5.010 4.640 0.000 0.000 0.252 391 D C 0.064 176.468 176.300 0.173 0.000 1.166 391 D CA 0.430 54.463 54.000 0.055 0.000 0.879 391 D CB 1.316 42.092 40.800 -0.040 0.000 1.164 391 D HN 0.813 nan 8.370 nan 0.000 0.462 392 S N 1.264 117.124 115.700 0.267 0.000 2.794 392 S HA 0.757 5.227 4.470 0.000 0.000 0.299 392 S C -1.112 173.557 174.600 0.116 0.000 1.179 392 S CA -0.916 57.396 58.200 0.187 0.000 0.838 392 S CB 1.760 64.956 63.200 -0.007 0.000 1.206 392 S HN 0.509 nan 8.310 nan 0.000 0.523 393 Y N -1.249 119.016 120.300 -0.058 0.000 2.625 393 Y HA 0.719 5.269 4.550 0.000 0.000 0.338 393 Y C -1.314 174.470 175.900 -0.195 0.000 1.123 393 Y CA -1.309 56.646 58.100 -0.242 0.000 1.046 393 Y CB 0.285 38.441 38.460 -0.506 0.000 1.299 393 Y HN 0.644 nan 8.280 nan 0.000 0.464 394 D N 3.183 123.619 120.400 0.060 0.000 2.371 394 D HA 0.220 4.860 4.640 0.000 0.000 0.256 394 D C -1.769 174.625 176.300 0.156 0.000 1.193 394 D CA -2.032 51.997 54.000 0.049 0.000 0.881 394 D CB 1.615 42.414 40.800 -0.001 0.000 1.143 394 D HN 0.382 nan 8.370 nan 0.000 0.473 395 P HA -0.112 nan 4.420 nan 0.000 0.218 395 P C 0.564 177.920 177.300 0.092 0.000 1.148 395 P CA 0.883 64.064 63.100 0.136 0.000 0.822 395 P CB 0.363 32.096 31.700 0.055 0.000 0.784 396 D N -1.324 119.139 120.400 0.106 0.000 2.348 396 D HA -0.035 4.605 4.640 0.000 0.000 0.216 396 D C 1.778 178.200 176.300 0.203 0.000 0.970 396 D CA 0.605 54.702 54.000 0.161 0.000 0.889 396 D CB 0.009 40.914 40.800 0.176 0.000 0.912 396 D HN 0.083 nan 8.370 nan 0.000 0.524 397 V N 0.279 120.229 119.914 0.060 0.000 2.575 397 V HA -0.044 4.076 4.120 0.000 0.000 0.242 397 V C 2.378 178.335 176.094 -0.228 0.000 1.045 397 V CA 0.591 62.818 62.300 -0.122 0.000 1.065 397 V CB -0.033 31.569 31.823 -0.368 0.000 0.717 397 V HN -0.029 nan 8.190 nan 0.000 0.467 398 R N 0.570 120.898 120.500 -0.286 0.000 2.075 398 R HA 0.065 4.405 4.340 0.000 0.000 0.232 398 R C 0.558 176.718 176.300 -0.234 0.000 1.126 398 R CA 1.492 57.343 56.100 -0.414 0.000 0.963 398 R CB -0.095 29.803 30.300 -0.670 0.000 0.858 398 R HN 0.450 nan 8.270 nan 0.000 0.435 399 I N 1.434 121.938 120.570 -0.110 0.000 2.411 399 I HA 0.266 4.436 4.170 0.000 0.000 0.284 399 I C -0.671 175.466 176.117 0.033 0.000 1.012 399 I CA -0.701 60.561 61.300 -0.064 0.000 1.119 399 I CB 1.961 39.925 38.000 -0.059 0.000 1.261 399 I HN 0.002 nan 8.210 nan 0.000 0.448 400 I N 5.937 126.548 120.570 0.069 0.000 2.533 400 I HA 0.079 4.249 4.170 0.000 0.000 0.284 400 I C 0.618 176.847 176.117 0.186 0.000 1.109 400 I CA 0.289 61.693 61.300 0.173 0.000 1.412 400 I CB 0.481 38.599 38.000 0.197 0.000 1.396 400 I HN 0.627 nan 8.210 nan 0.000 0.543 401 E N 6.679 126.993 120.200 0.191 0.000 2.256 401 E HA 0.133 4.483 4.350 0.000 0.000 0.243 401 E C -0.674 175.934 176.600 0.013 0.000 0.925 401 E CA -0.603 55.870 56.400 0.121 0.000 0.748 401 E CB 0.559 30.327 29.700 0.112 0.000 1.206 401 E HN 0.432 nan 8.360 nan 0.000 0.428 402 N N 3.414 122.160 118.700 0.078 0.000 2.663 402 N HA -0.013 4.727 4.740 0.000 0.000 0.250 402 N C 0.129 175.568 175.510 -0.118 0.000 1.129 402 N CA -0.041 53.011 53.050 0.003 0.000 0.995 402 N CB 0.198 38.818 38.487 0.222 0.000 1.324 402 N HN 0.562 nan 8.380 nan 0.000 0.512 403 H N 1.422 120.374 119.070 -0.197 0.000 2.529 403 H HA 0.287 4.843 4.556 0.000 0.000 0.277 403 H C 1.072 176.265 175.328 -0.225 0.000 1.004 403 H CA 0.075 56.017 56.048 -0.177 0.000 1.167 403 H CB 0.134 29.798 29.762 -0.163 0.000 1.445 403 H HN 0.501 nan 8.280 nan 0.000 0.554 404 G N 1.751 110.335 108.800 -0.359 0.000 2.512 404 G HA2 -0.280 3.680 3.960 0.000 0.000 0.240 404 G HA3 -0.280 3.680 3.960 0.000 0.000 0.240 404 G C -0.189 174.464 174.900 -0.412 0.000 1.246 404 G CA 0.178 45.101 45.100 -0.295 0.000 0.919 404 G HN 0.865 nan 8.290 nan 0.000 0.577 405 T N -2.578 111.863 114.554 -0.188 0.000 2.909 405 T HA 0.690 5.040 4.350 0.000 0.000 0.299 405 T C -0.546 174.111 174.700 -0.071 0.000 1.073 405 T CA -0.145 61.872 62.100 -0.139 0.000 0.999 405 T CB 2.336 71.161 68.868 -0.071 0.000 1.098 405 T HN 0.671 nan 8.240 nan 0.000 0.477 406 E N 2.285 122.448 120.200 -0.062 0.000 1.964 406 E HA 0.167 4.517 4.350 0.000 0.000 0.264 406 E C -0.274 176.299 176.600 -0.043 0.000 1.120 406 E CA -0.413 55.959 56.400 -0.048 0.000 1.061 406 E CB 0.075 29.746 29.700 -0.047 0.000 1.190 406 E HN 0.676 nan 8.360 nan 0.000 0.459 407 D N 1.223 121.598 120.400 -0.042 0.000 2.755 407 D HA 0.022 4.662 4.640 0.000 0.000 0.257 407 D C 0.535 176.804 176.300 -0.051 0.000 1.291 407 D CA -0.250 53.721 54.000 -0.048 0.000 0.836 407 D CB 0.387 41.161 40.800 -0.044 0.000 1.059 407 D HN 0.075 nan 8.370 nan 0.000 0.486 408 E N 0.308 120.481 120.200 -0.044 0.000 2.051 408 E HA 0.022 4.372 4.350 0.000 0.000 0.192 408 E C 0.686 177.259 176.600 -0.045 0.000 0.991 408 E CA 0.783 57.160 56.400 -0.038 0.000 0.799 408 E CB 0.102 29.784 29.700 -0.030 0.000 0.748 408 E HN 0.408 nan 8.360 nan 0.000 0.449 409 L N 2.409 123.600 121.223 -0.052 0.000 2.371 409 L HA 0.246 4.586 4.340 0.000 0.000 0.272 409 L C -2.004 174.790 176.870 -0.127 0.000 1.124 409 L CA -1.961 52.840 54.840 -0.064 0.000 0.816 409 L CB 0.325 42.354 42.059 -0.050 0.000 1.129 409 L HN 0.030 nan 8.230 nan 0.000 0.448 410 P HA 0.236 nan 4.420 nan 0.000 0.281 410 P C -1.528 175.415 177.300 -0.596 0.000 1.249 410 P CA -0.602 62.264 63.100 -0.390 0.000 0.810 410 P CB 0.641 32.065 31.700 -0.459 0.000 1.008 411 N N 1.049 119.369 118.700 -0.633 0.000 2.372 411 N HA 0.424 5.164 4.740 0.000 0.000 0.285 411 N C -1.030 174.104 175.510 -0.627 0.000 1.008 411 N CA -0.476 52.271 53.050 -0.506 0.000 0.880 411 N CB 0.873 39.216 38.487 -0.240 0.000 1.239 411 N HN 0.356 nan 8.380 nan 0.000 0.484 412 Y N 0.002 120.197 120.300 -0.175 0.000 2.598 412 Y HA 0.635 5.185 4.550 0.000 0.000 0.340 412 Y C 0.219 175.798 175.900 -0.536 0.000 1.038 412 Y CA -1.428 56.414 58.100 -0.431 0.000 1.100 412 Y CB 1.144 39.182 38.460 -0.703 0.000 1.281 412 Y HN 0.520 nan 8.280 nan 0.000 0.488 413 C N 0.397 119.392 119.300 -0.508 0.000 2.455 413 C HA 0.916 5.377 4.460 0.000 0.000 0.320 413 C C -1.025 173.573 174.990 -0.653 0.000 1.226 413 C CA -1.046 57.736 59.018 -0.394 0.000 1.569 413 C CB -0.789 26.853 27.740 -0.163 0.000 2.200 413 C HN 0.612 nan 8.230 nan 0.000 0.491 414 F N 1.023 120.963 119.950 -0.017 0.000 2.639 414 F HA 0.803 5.330 4.527 0.000 0.000 0.339 414 F C -1.981 173.814 175.800 -0.008 0.000 1.071 414 F CA -2.322 55.656 58.000 -0.038 0.000 0.994 414 F CB 0.330 39.301 39.000 -0.047 0.000 1.341 414 F HN 0.392 nan 8.300 nan 0.000 0.498 415 P HA 0.273 nan 4.420 nan 0.000 0.275 415 P C 0.826 178.120 177.300 -0.010 0.000 1.228 415 P CA -0.285 62.894 63.100 0.132 0.000 0.786 415 P CB 0.751 32.546 31.700 0.158 0.000 0.927 416 L N 1.152 122.344 121.223 -0.051 0.000 2.089 416 L HA -0.179 4.161 4.340 0.000 0.000 0.213 416 L C 2.142 178.631 176.870 -0.636 0.000 1.079 416 L CA 2.220 56.943 54.840 -0.196 0.000 0.758 416 L CB -1.239 40.795 42.059 -0.041 0.000 0.891 416 L HN 0.586 nan 8.230 nan 0.000 0.433 417 G N -1.806 106.440 108.800 -0.924 0.000 2.985 417 G HA2 0.275 4.235 3.960 0.000 0.000 0.209 417 G HA3 0.275 4.235 3.960 0.000 0.000 0.209 417 G C 1.288 175.795 174.900 -0.655 0.000 1.165 417 G CA 0.493 44.583 45.100 -1.684 0.000 0.776 417 G HN 0.551 nan 8.290 nan 0.000 0.541 418 G N -1.683 106.910 108.800 -0.345 0.000 2.212 418 G HA2 -0.187 3.773 3.960 0.000 0.000 0.266 418 G HA3 -0.187 3.773 3.960 0.000 0.000 0.266 418 G C 0.094 174.951 174.900 -0.072 0.000 0.978 418 G CA 0.507 45.500 45.100 -0.178 0.000 0.632 418 G HN 1.194 nan 8.290 nan 0.000 0.537 419 V N -0.339 119.547 119.914 -0.046 0.000 3.023 419 V HA 0.673 4.793 4.120 0.000 0.000 0.294 419 V C 0.273 176.426 176.094 0.098 0.000 1.324 419 V CA 0.029 62.358 62.300 0.049 0.000 0.979 419 V CB 1.967 33.818 31.823 0.046 0.000 1.093 419 V HN 0.367 nan 8.190 nan 0.000 0.434 420 I N 2.724 123.367 120.570 0.122 0.000 4.922 420 I HA 0.330 4.500 4.170 0.000 0.000 0.331 420 I C 0.536 176.696 176.117 0.072 0.000 1.260 420 I CA 0.189 61.562 61.300 0.122 0.000 1.366 420 I CB 0.797 38.866 38.000 0.116 0.000 1.386 420 I HN 0.618 nan 8.210 nan 0.000 0.483 421 N N 2.822 121.551 118.700 0.049 0.000 2.802 421 N HA 0.114 4.854 4.740 0.000 0.000 0.288 421 N C -0.114 175.414 175.510 0.030 0.000 1.268 421 N CA 0.177 53.237 53.050 0.017 0.000 1.035 421 N CB -0.112 38.371 38.487 -0.007 0.000 1.353 421 N HN 0.369 nan 8.380 nan 0.000 0.522 422 T N -1.549 113.032 114.554 0.045 0.000 2.860 422 T HA 0.202 4.552 4.350 0.000 0.000 0.299 422 T C 0.321 175.034 174.700 0.021 0.000 1.045 422 T CA -0.633 61.490 62.100 0.039 0.000 1.071 422 T CB 1.387 70.288 68.868 0.055 0.000 0.985 422 T HN 0.379 nan 8.240 nan 0.000 0.537 423 E N 0.682 120.890 120.200 0.013 0.000 2.210 423 E HA 0.354 4.704 4.350 0.000 0.000 0.266 423 E C -1.093 175.508 176.600 0.001 0.000 0.883 423 E CA -0.997 55.405 56.400 0.004 0.000 0.761 423 E CB 1.313 31.012 29.700 -0.003 0.000 1.156 423 E HN 0.598 nan 8.360 nan 0.000 0.412 424 T N 4.296 118.850 114.554 -0.000 0.000 2.902 424 T HA 0.228 4.578 4.350 0.000 0.000 0.301 424 T C 0.199 174.895 174.700 -0.006 0.000 1.012 424 T CA 0.081 62.181 62.100 -0.001 0.000 1.151 424 T CB 0.056 68.923 68.868 -0.001 0.000 0.946 424 T HN 0.368 nan 8.240 nan 0.000 0.542 425 L N 1.853 123.072 121.223 -0.005 0.000 2.303 425 L HA 0.640 4.980 4.340 0.000 0.000 0.256 425 L C 0.136 177.001 176.870 -0.008 0.000 1.034 425 L CA -1.056 53.775 54.840 -0.015 0.000 0.832 425 L CB 2.569 44.612 42.059 -0.028 0.000 1.403 425 L HN 0.519 nan 8.230 nan 0.000 0.419 426 T N 0.692 115.235 114.554 -0.019 0.000 2.848 426 T HA 0.238 4.588 4.350 0.000 0.000 0.285 426 T C -0.578 174.106 174.700 -0.027 0.000 0.995 426 T CA -0.575 61.521 62.100 -0.007 0.000 0.970 426 T CB 1.842 70.712 68.868 0.002 0.000 0.976 426 T HN 0.369 nan 8.240 nan 0.000 0.441 427 K N 2.665 123.053 120.400 -0.020 0.000 2.382 427 K HA 0.480 4.800 4.320 0.000 0.000 0.275 427 K C -0.873 175.715 176.600 -0.020 0.000 1.009 427 K CA -0.215 56.032 56.287 -0.068 0.000 0.970 427 K CB 0.480 32.891 32.500 -0.148 0.000 0.934 427 K HN 0.309 nan 8.250 nan 0.000 0.479 428 V N 1.781 121.687 119.914 -0.013 0.000 3.040 428 V HA 0.608 4.728 4.120 0.000 0.000 0.312 428 V C -0.602 175.597 176.094 0.175 0.000 1.115 428 V CA -0.748 61.602 62.300 0.083 0.000 0.998 428 V CB 1.908 33.772 31.823 0.069 0.000 1.042 428 V HN 0.903 nan 8.190 nan 0.000 0.433 429 K N 3.625 124.162 120.400 0.229 0.000 2.316 429 K HA 0.896 5.216 4.320 0.000 0.000 0.251 429 K C -3.048 173.656 176.600 0.173 0.000 0.934 429 K CA -1.872 54.526 56.287 0.186 0.000 0.802 429 K CB 1.639 34.187 32.500 0.079 0.000 1.171 429 K HN 0.507 nan 8.250 nan 0.000 0.426 438 W N 0.140 121.436 121.300 -0.007 0.000 2.936 438 W HA 0.736 5.396 4.660 0.000 0.000 0.338 438 W C 0.094 176.609 176.519 -0.007 0.000 1.121 438 W CA -0.372 56.967 57.345 -0.009 0.000 1.209 438 W CB 2.031 31.484 29.460 -0.012 0.000 1.420 438 W HN 0.796 nan 8.180 nan 0.000 0.516 439 E N 0.346 120.675 120.200 0.214 0.000 2.256 439 E HA 0.648 4.998 4.350 0.000 0.000 0.268 439 E C -0.318 176.356 176.600 0.124 0.000 0.877 439 E CA -0.871 55.604 56.400 0.125 0.000 0.757 439 E CB 0.875 30.611 29.700 0.060 0.000 1.183 439 E HN 0.649 nan 8.360 nan 0.000 0.418 440 K N 1.380 121.834 120.400 0.091 0.000 2.469 440 K HA 0.322 4.642 4.320 0.000 0.000 0.274 440 K C -0.189 176.451 176.600 0.068 0.000 0.983 440 K CA 0.377 56.706 56.287 0.071 0.000 0.974 440 K CB 0.388 32.919 32.500 0.051 0.000 0.913 440 K HN 0.695 nan 8.250 nan 0.000 0.493 441 D N -0.434 120.005 120.400 0.066 0.000 2.252 441 D HA 0.787 5.427 4.640 0.000 0.000 0.245 441 D C -0.660 175.693 176.300 0.088 0.000 1.009 441 D CA 0.576 54.622 54.000 0.077 0.000 0.870 441 D CB 1.754 42.598 40.800 0.074 0.000 1.251 441 D HN 0.818 nan 8.370 nan 0.000 0.460 446 S N 0.006 115.814 115.700 0.179 0.000 2.672 446 S HA 0.451 4.921 4.470 0.000 0.000 0.276 446 S C 0.629 175.285 174.600 0.093 0.000 1.207 446 S CA -0.392 57.863 58.200 0.092 0.000 1.002 446 S CB 0.273 63.500 63.200 0.045 0.000 0.998 446 S HN 0.552 nan 8.310 nan 0.000 0.542 447 D N 0.387 120.819 120.400 0.053 0.000 2.269 447 D HA 0.170 4.810 4.640 0.000 0.000 0.208 447 D C 0.604 176.922 176.300 0.030 0.000 0.963 447 D CA 1.375 55.399 54.000 0.039 0.000 0.864 447 D CB -0.200 40.615 40.800 0.025 0.000 0.936 447 D HN 0.666 nan 8.370 nan 0.000 0.505 448 K N 1.243 121.661 120.400 0.029 0.000 2.640 448 K HA 0.372 4.692 4.320 0.000 0.000 0.245 448 K C -0.749 175.865 176.600 0.023 0.000 0.962 448 K CA -0.819 55.479 56.287 0.018 0.000 0.896 448 K CB 0.433 32.935 32.500 0.005 0.000 1.147 448 K HN -0.041 nan 8.250 nan 0.000 0.445 449 N N 1.961 120.679 118.700 0.030 0.000 2.342 449 N HA 0.294 5.034 4.740 0.000 0.000 0.293 449 N C -1.109 174.413 175.510 0.021 0.000 1.026 449 N CA -0.618 52.454 53.050 0.036 0.000 0.857 449 N CB 2.173 40.697 38.487 0.062 0.000 1.256 449 N HN 0.661 nan 8.380 nan 0.000 0.484 450 E N 1.729 121.942 120.200 0.021 0.000 2.167 450 E HA 0.465 4.815 4.350 0.000 0.000 0.284 450 E C -0.371 176.248 176.600 0.031 0.000 1.016 450 E CA -0.059 56.355 56.400 0.024 0.000 0.817 450 E CB 1.331 31.047 29.700 0.028 0.000 1.080 450 E HN 0.419 nan 8.360 nan 0.000 0.397 451 I N 2.580 123.163 120.570 0.022 0.000 2.533 451 I HA 0.313 4.483 4.170 0.000 0.000 0.290 451 I C -0.484 175.644 176.117 0.018 0.000 1.056 451 I CA -1.121 60.190 61.300 0.019 0.000 1.057 451 I CB 1.864 39.865 38.000 0.002 0.000 1.240 451 I HN 0.292 nan 8.210 nan 0.000 0.423 452 R N 5.612 126.126 120.500 0.024 0.000 2.234 452 R HA 0.482 4.822 4.340 0.000 0.000 0.324 452 R C -1.564 174.744 176.300 0.012 0.000 1.054 452 R CA -0.208 55.907 56.100 0.025 0.000 0.912 452 R CB 0.922 31.244 30.300 0.037 0.000 1.030 452 R HN 0.419 nan 8.270 nan 0.000 0.455 453 V N 6.015 125.934 119.914 0.009 0.000 2.333 453 V HA 0.741 4.861 4.120 0.000 0.000 0.274 453 V C 0.810 176.908 176.094 0.007 0.000 1.028 453 V CA 0.663 62.963 62.300 0.001 0.000 0.851 453 V CB 0.302 32.119 31.823 -0.009 0.000 1.000 453 V HN 1.068 nan 8.190 nan 0.000 0.456 454 G N 5.368 114.171 108.800 0.005 0.000 2.396 454 G HA2 -0.145 3.815 3.960 0.000 0.000 0.254 454 G HA3 -0.145 3.815 3.960 0.000 0.000 0.254 454 G C -0.611 174.296 174.900 0.012 0.000 1.248 454 G CA -0.753 44.352 45.100 0.008 0.000 1.033 454 G HN 0.552 nan 8.290 nan 0.000 0.502 455 N N 1.085 119.794 118.700 0.015 0.000 2.381 455 N HA 0.356 5.096 4.740 0.000 0.000 0.254 455 N C 0.732 176.268 175.510 0.043 0.000 1.264 455 N CA 0.287 53.345 53.050 0.014 0.000 0.942 455 N CB 0.215 38.700 38.487 -0.003 0.000 1.190 455 N HN 0.916 nan 8.380 nan 0.000 0.495 456 N N -0.576 118.155 118.700 0.052 0.000 2.408 456 N HA 0.111 4.851 4.740 0.000 0.000 0.260 456 N C -0.666 174.946 175.510 0.170 0.000 1.242 456 N CA -0.380 52.736 53.050 0.110 0.000 0.959 456 N CB 0.132 38.679 38.487 0.100 0.000 1.201 456 N HN 0.381 nan 8.380 nan 0.000 0.511 457 F N -0.092 119.894 119.950 0.060 0.000 2.467 457 F HA 0.529 5.056 4.527 0.000 0.000 0.362 457 F C -0.163 175.659 175.800 0.037 0.000 1.090 457 F CA -0.715 57.308 58.000 0.039 0.000 1.202 457 F CB -0.162 38.861 39.000 0.038 0.000 1.113 457 F HN 0.728 nan 8.300 nan 0.000 0.541 458 A N 7.640 130.030 122.820 -0.717 0.000 2.498 458 A HA 0.805 5.125 4.320 0.000 0.000 0.298 458 A C -1.250 175.870 177.584 -0.773 0.000 1.075 458 A CA -0.903 50.700 52.037 -0.724 0.000 0.714 458 A CB 1.546 20.195 19.000 -0.584 0.000 1.299 458 A HN 0.668 nan 8.150 nan 0.000 0.407 459 M N 1.444 120.705 119.600 -0.565 0.000 2.393 459 M HA 0.445 4.925 4.480 0.000 0.000 0.316 459 M C -0.434 175.789 176.300 -0.129 0.000 1.087 459 M CA -0.174 54.934 55.300 -0.320 0.000 0.937 459 M CB 1.721 34.168 32.600 -0.256 0.000 1.668 459 M HN 0.930 nan 8.290 nan 0.000 0.438 460 E N 2.239 122.415 120.200 -0.038 0.000 2.222 460 E HA 0.763 5.113 4.350 0.000 0.000 0.272 460 E C -1.657 174.889 176.600 -0.091 0.000 0.982 460 E CA -0.598 55.782 56.400 -0.033 0.000 0.842 460 E CB 2.528 32.234 29.700 0.011 0.000 1.144 460 E HN 0.699 nan 8.360 nan 0.000 0.397 461 I N 2.696 123.178 120.570 -0.147 0.000 2.787 461 I HA 0.233 4.403 4.170 0.000 0.000 0.294 461 I C -1.760 174.276 176.117 -0.135 0.000 1.365 461 I CA -0.718 60.513 61.300 -0.116 0.000 1.029 461 I CB 1.956 39.907 38.000 -0.081 0.000 1.313 461 I HN 0.402 nan 8.210 nan 0.000 0.431 462 N N 7.598 126.236 118.700 -0.105 0.000 2.767 462 N HA 0.291 5.031 4.740 0.000 0.000 0.238 462 N C 0.799 176.282 175.510 -0.046 0.000 1.083 462 N CA -0.151 52.847 53.050 -0.088 0.000 0.964 462 N CB 0.513 38.953 38.487 -0.078 0.000 1.252 462 N HN 0.727 nan 8.380 nan 0.000 0.512 463 L N 1.827 123.020 121.223 -0.051 0.000 1.963 463 L HA -0.279 4.061 4.340 0.000 0.000 0.220 463 L C 1.774 178.652 176.870 0.012 0.000 1.076 463 L CA 1.232 56.060 54.840 -0.020 0.000 0.772 463 L CB -0.432 41.611 42.059 -0.028 0.000 0.892 463 L HN 0.480 nan 8.230 nan 0.000 0.435 464 N N 0.076 118.779 118.700 0.006 0.000 2.069 464 N HA -0.175 4.565 4.740 0.000 0.000 0.191 464 N C 1.817 177.380 175.510 0.087 0.000 1.031 464 N CA 1.659 54.728 53.050 0.031 0.000 0.852 464 N CB -0.386 38.099 38.487 -0.004 0.000 1.018 464 N HN 0.366 nan 8.380 nan 0.000 0.423 465 A N 1.718 124.582 122.820 0.074 0.000 1.908 465 A HA -0.154 4.166 4.320 0.000 0.000 0.218 465 A C 2.124 179.798 177.584 0.149 0.000 1.181 465 A CA 1.281 53.398 52.037 0.133 0.000 0.627 465 A CB -0.543 18.505 19.000 0.079 0.000 0.818 465 A HN 0.281 nan 8.150 nan 0.000 0.445 466 N N 0.161 118.913 118.700 0.085 0.000 2.025 466 N HA -0.145 4.595 4.740 0.000 0.000 0.194 466 N C 1.822 177.395 175.510 0.106 0.000 1.044 466 N CA 1.741 54.832 53.050 0.069 0.000 0.851 466 N CB -0.470 38.038 38.487 0.035 0.000 1.036 466 N HN 0.497 nan 8.380 nan 0.000 0.422 467 L N 0.088 121.387 121.223 0.126 0.000 1.990 467 L HA -0.223 4.117 4.340 0.000 0.000 0.213 467 L C 2.506 179.532 176.870 0.261 0.000 1.072 467 L CA 1.418 56.356 54.840 0.164 0.000 0.755 467 L CB -0.635 41.506 42.059 0.136 0.000 0.889 467 L HN 0.458 nan 8.230 nan 0.000 0.432 468 W N 1.381 122.712 121.300 0.053 0.000 2.321 468 W HA -0.273 4.387 4.660 0.000 0.000 0.306 468 W C 2.729 179.334 176.519 0.143 0.000 1.217 468 W CA 1.397 58.786 57.345 0.073 0.000 1.257 468 W CB -0.124 29.344 29.460 0.013 0.000 1.145 468 W HN 0.123 nan 8.180 nan 0.000 0.509 469 R N 0.266 120.781 120.500 0.025 0.000 2.080 469 R HA -0.216 4.124 4.340 0.000 0.000 0.236 469 R C 1.908 178.184 176.300 -0.040 0.000 1.137 469 R CA 2.312 58.348 56.100 -0.107 0.000 0.943 469 R CB -0.704 29.575 30.300 -0.035 0.000 0.846 469 R HN 0.156 nan 8.270 nan 0.000 0.431 470 N N -0.148 118.583 118.700 0.053 0.000 2.137 470 N HA -0.210 4.530 4.740 0.000 0.000 0.190 470 N C 1.339 176.927 175.510 0.131 0.000 1.017 470 N CA 1.369 54.475 53.050 0.094 0.000 0.859 470 N CB -0.291 38.260 38.487 0.107 0.000 1.002 470 N HN 0.183 nan 8.380 nan 0.000 0.428 471 F N 0.793 120.740 119.950 -0.005 0.000 2.146 471 F HA 0.015 4.542 4.527 0.000 0.000 0.298 471 F C 1.706 177.444 175.800 -0.102 0.000 1.096 471 F CA 1.015 59.011 58.000 -0.007 0.000 1.275 471 F CB -0.181 38.843 39.000 0.041 0.000 1.008 471 F HN -0.031 nan 8.300 nan 0.000 0.480 472 L N -1.151 119.909 121.223 -0.272 0.000 2.027 472 L HA -0.219 4.121 4.340 0.000 0.000 0.206 472 L C 2.327 179.064 176.870 -0.221 0.000 1.074 472 L CA 1.523 56.130 54.840 -0.387 0.000 0.745 472 L CB -1.050 40.727 42.059 -0.470 0.000 0.898 472 L HN 0.177 nan 8.230 nan 0.000 0.433 473 Y N 0.123 120.293 120.300 -0.215 0.000 2.145 473 Y HA -0.308 4.242 4.550 0.000 0.000 0.286 473 Y C 3.066 178.900 175.900 -0.110 0.000 1.145 473 Y CA 1.801 59.813 58.100 -0.146 0.000 1.148 473 Y CB -0.276 38.113 38.460 -0.118 0.000 0.981 473 Y HN 0.148 nan 8.280 nan 0.000 0.507 474 S N -0.095 115.599 115.700 -0.011 0.000 2.356 474 S HA -0.187 4.283 4.470 0.000 0.000 0.223 474 S C 1.795 176.425 174.600 0.050 0.000 1.032 474 S CA 1.777 59.969 58.200 -0.013 0.000 1.005 474 S CB -0.435 62.806 63.200 0.068 0.000 0.867 474 S HN 0.619 nan 8.310 nan 0.000 0.449 475 N N 0.044 118.685 118.700 -0.097 0.000 2.395 475 N HA 0.157 4.897 4.740 0.000 0.000 0.175 475 N C 1.416 176.937 175.510 0.018 0.000 1.029 475 N CA 1.122 54.150 53.050 -0.038 0.000 0.897 475 N CB 0.063 38.278 38.487 -0.454 0.000 0.991 475 N HN 0.439 nan 8.380 nan 0.000 0.441 476 I N 0.603 121.101 120.570 -0.121 0.000 3.345 476 I HA 0.135 4.305 4.170 0.000 0.000 0.258 476 I C 2.260 178.340 176.117 -0.061 0.000 1.134 476 I CA 0.272 61.530 61.300 -0.071 0.000 1.457 476 I CB -0.518 37.399 38.000 -0.138 0.000 1.425 476 I HN -0.141 nan 8.210 nan 0.000 0.461 477 A N 1.456 124.160 122.820 -0.193 0.000 1.870 477 A HA -0.250 4.070 4.320 0.000 0.000 0.219 477 A C 2.267 179.634 177.584 -0.361 0.000 1.224 477 A CA 2.134 53.989 52.037 -0.303 0.000 0.650 477 A CB -1.389 17.298 19.000 -0.521 0.000 0.836 477 A HN 0.406 nan 8.150 nan 0.000 0.454 478 L N -2.252 118.671 121.223 -0.500 0.000 2.261 478 L HA -0.206 4.134 4.340 0.000 0.000 0.216 478 L C 2.005 178.578 176.870 -0.495 0.000 1.114 478 L CA 1.053 55.575 54.840 -0.528 0.000 0.777 478 L CB -0.435 41.268 42.059 -0.594 0.000 0.910 478 L HN 0.544 nan 8.230 nan 0.000 0.440 479 Y N -0.963 119.206 120.300 -0.217 0.000 2.466 479 Y HA 0.174 4.724 4.550 0.000 0.000 0.272 479 Y C 1.139 176.967 175.900 -0.120 0.000 1.169 479 Y CA -0.642 57.374 58.100 -0.140 0.000 1.285 479 Y CB -0.146 38.273 38.460 -0.069 0.000 1.078 479 Y HN 0.003 nan 8.280 nan 0.000 0.523 480 L N 2.259 123.448 121.223 -0.057 0.000 2.503 480 L HA 0.002 4.342 4.340 0.000 0.000 0.287 480 L C -1.891 174.919 176.870 -0.100 0.000 1.252 480 L CA -1.650 53.141 54.840 -0.082 0.000 0.835 480 L CB 0.052 42.025 42.059 -0.144 0.000 1.099 480 L HN -0.060 nan 8.230 nan 0.000 0.516 481 P HA -0.019 nan 4.420 nan 0.000 0.269 481 P C -0.054 177.183 177.300 -0.105 0.000 1.209 481 P CA -0.106 62.947 63.100 -0.078 0.000 0.776 481 P CB 0.554 32.214 31.700 -0.068 0.000 0.876 482 D N 2.399 122.767 120.400 -0.054 0.000 2.158 482 D HA -0.222 4.418 4.640 0.000 0.000 0.197 482 D C 1.733 178.004 176.300 -0.048 0.000 0.995 482 D CA 1.436 55.413 54.000 -0.039 0.000 0.846 482 D CB -0.146 40.693 40.800 0.065 0.000 0.941 482 D HN 0.437 nan 8.370 nan 0.000 0.456 483 K N 0.361 120.732 120.400 -0.048 0.000 2.218 483 K HA -0.167 4.153 4.320 0.000 0.000 0.205 483 K C 1.832 178.382 176.600 -0.084 0.000 1.046 483 K CA 1.060 57.318 56.287 -0.048 0.000 0.933 483 K CB -0.384 32.093 32.500 -0.037 0.000 0.728 483 K HN 0.289 nan 8.250 nan 0.000 0.454 484 L N 0.678 121.809 121.223 -0.153 0.000 2.558 484 L HA 0.097 4.437 4.340 0.000 0.000 0.225 484 L C 0.883 177.693 176.870 -0.101 0.000 1.128 484 L CA 0.125 54.860 54.840 -0.175 0.000 0.868 484 L CB 0.040 41.906 42.059 -0.322 0.000 1.006 484 L HN 0.097 nan 8.230 nan 0.000 0.454 485 K N -0.061 120.277 120.400 -0.103 0.000 2.209 485 K HA 0.465 4.785 4.320 0.000 0.000 0.238 485 K C -1.116 175.474 176.600 -0.016 0.000 1.028 485 K CA -0.623 55.585 56.287 -0.132 0.000 0.935 485 K CB 1.232 33.591 32.500 -0.234 0.000 1.162 485 K HN -0.140 nan 8.250 nan 0.000 0.485 486 Y N -3.025 117.201 120.300 -0.123 0.000 2.581 486 Y HA 0.401 4.951 4.550 0.000 0.000 0.337 486 Y C -1.015 174.814 175.900 -0.118 0.000 1.108 486 Y CA -1.170 56.869 58.100 -0.102 0.000 1.033 486 Y CB 0.918 39.326 38.460 -0.087 0.000 1.318 486 Y HN 0.351 nan 8.280 nan 0.000 0.459 487 S N 4.472 120.239 115.700 0.113 0.000 2.565 487 S HA 0.422 4.892 4.470 0.000 0.000 0.276 487 S C -2.457 172.216 174.600 0.122 0.000 1.326 487 S CA -0.859 57.352 58.200 0.018 0.000 1.045 487 S CB 0.279 63.492 63.200 0.021 0.000 0.918 487 S HN 0.554 nan 8.310 nan 0.000 0.505 488 P HA 0.257 nan 4.420 nan 0.000 0.277 488 P C -0.943 176.387 177.300 0.049 0.000 1.240 488 P CA -0.613 62.522 63.100 0.058 0.000 0.798 488 P CB 0.497 32.193 31.700 -0.007 0.000 0.979 489 S N 1.746 117.478 115.700 0.053 0.000 2.565 489 S HA 0.190 4.660 4.470 0.000 0.000 0.274 489 S C 0.416 174.994 174.600 -0.036 0.000 1.309 489 S CA -0.634 57.572 58.200 0.009 0.000 1.043 489 S CB -0.314 62.892 63.200 0.009 0.000 0.939 489 S HN 0.538 nan 8.310 nan 0.000 0.504 490 N N -0.895 117.781 118.700 -0.040 0.000 2.725 490 N HA -0.144 4.596 4.740 0.000 0.000 0.249 490 N C -1.109 174.369 175.510 -0.054 0.000 1.103 490 N CA 0.590 53.606 53.050 -0.057 0.000 0.707 490 N CB -1.546 36.884 38.487 -0.095 0.000 1.043 490 N HN 0.444 nan 8.380 nan 0.000 0.553 491 V N -0.454 119.440 119.914 -0.033 0.000 2.569 491 V HA 0.560 4.680 4.120 0.000 0.000 0.301 491 V C 0.605 176.689 176.094 -0.017 0.000 1.044 491 V CA -0.692 61.592 62.300 -0.026 0.000 0.874 491 V CB 1.872 33.683 31.823 -0.021 0.000 1.002 491 V HN 0.334 nan 8.190 nan 0.000 0.424 492 K N 4.674 125.066 120.400 -0.012 0.000 2.448 492 K HA 0.635 4.955 4.320 0.000 0.000 0.278 492 K C -0.579 176.016 176.600 -0.009 0.000 1.009 492 K CA 0.329 56.612 56.287 -0.005 0.000 0.995 492 K CB 0.644 33.143 32.500 -0.001 0.000 0.917 492 K HN 0.772 nan 8.250 nan 0.000 0.481 493 I N 1.032 121.603 120.570 0.003 0.000 2.722 493 I HA 0.332 4.502 4.170 0.000 0.000 0.295 493 I C 0.322 176.473 176.117 0.057 0.000 1.161 493 I CA -0.637 60.669 61.300 0.009 0.000 1.032 493 I CB 2.262 40.251 38.000 -0.018 0.000 1.244 493 I HN 0.841 nan 8.210 nan 0.000 0.421 494 S N 3.700 119.447 115.700 0.078 0.000 2.569 494 S HA 0.012 4.482 4.470 0.000 0.000 0.274 494 S C 0.494 175.155 174.600 0.102 0.000 1.353 494 S CA 0.574 58.823 58.200 0.082 0.000 1.023 494 S CB 0.726 63.968 63.200 0.071 0.000 0.876 494 S HN 0.733 nan 8.310 nan 0.000 0.540 495 D N 0.793 121.205 120.400 0.021 0.000 2.327 495 D HA 0.127 4.767 4.640 0.000 0.000 0.205 495 D C 0.006 176.222 176.300 -0.139 0.000 0.989 495 D CA 0.289 54.270 54.000 -0.031 0.000 0.873 495 D CB 0.044 40.830 40.800 -0.022 0.000 0.955 495 D HN 0.421 nan 8.370 nan 0.000 0.515 496 N N 0.796 119.419 118.700 -0.128 0.000 2.406 496 N HA 0.075 4.815 4.740 0.000 0.000 0.251 496 N C -1.927 173.373 175.510 -0.349 0.000 1.069 496 N CA -1.912 51.029 53.050 -0.181 0.000 0.947 496 N CB 1.436 39.876 38.487 -0.080 0.000 1.111 496 N HN -0.114 nan 8.380 nan 0.000 0.497 497 P HA 0.013 nan 4.420 nan 0.000 0.229 497 P C 0.135 177.282 177.300 -0.255 0.000 1.160 497 P CA 0.786 63.369 63.100 -0.862 0.000 0.777 497 P CB 0.420 31.691 31.700 -0.715 0.000 0.814 498 N N -0.984 117.631 118.700 -0.142 0.000 2.383 498 N HA 0.015 4.755 4.740 0.000 0.000 0.192 498 N C 0.524 176.033 175.510 -0.002 0.000 1.141 498 N CA 0.546 53.573 53.050 -0.038 0.000 0.851 498 N CB -0.321 38.148 38.487 -0.032 0.000 0.976 498 N HN 0.104 nan 8.380 nan 0.000 0.465 499 T N -0.324 114.233 114.554 0.005 0.000 2.922 499 T HA 0.085 4.435 4.350 0.000 0.000 0.285 499 T C 0.962 175.718 174.700 0.094 0.000 1.005 499 T CA -0.440 61.694 62.100 0.056 0.000 1.061 499 T CB 1.266 70.163 68.868 0.049 0.000 1.007 499 T HN 0.145 nan 8.240 nan 0.000 0.502 500 Y N 2.247 122.532 120.300 -0.025 0.000 2.220 500 Y HA -0.078 4.472 4.550 0.000 0.000 0.291 500 Y C 2.182 178.035 175.900 -0.078 0.000 1.129 500 Y CA 2.080 60.143 58.100 -0.063 0.000 1.161 500 Y CB -0.204 38.205 38.460 -0.086 0.000 0.997 500 Y HN 0.848 nan 8.280 nan 0.000 0.522 501 D N -0.927 119.484 120.400 0.019 0.000 2.133 501 D HA -0.314 4.326 4.640 0.000 0.000 0.195 501 D C 2.027 178.220 176.300 -0.178 0.000 0.997 501 D CA 1.861 55.807 54.000 -0.089 0.000 0.840 501 D CB -0.536 40.274 40.800 0.017 0.000 0.947 501 D HN 0.488 nan 8.370 nan 0.000 0.452 502 Y N 0.505 120.690 120.300 -0.192 0.000 2.089 502 Y HA -0.188 4.362 4.550 0.000 0.000 0.282 502 Y C 2.297 178.041 175.900 -0.260 0.000 1.139 502 Y CA 1.851 59.841 58.100 -0.184 0.000 1.123 502 Y CB -0.379 38.009 38.460 -0.121 0.000 0.980 502 Y HN -0.001 nan 8.280 nan 0.000 0.493 503 M N -0.212 119.268 119.600 -0.199 0.000 2.202 503 M HA -0.236 4.244 4.480 0.000 0.000 0.262 503 M C 1.790 177.776 176.300 -0.524 0.000 1.063 503 M CA 2.050 57.150 55.300 -0.333 0.000 1.097 503 M CB -0.471 31.982 32.600 -0.244 0.000 1.382 503 M HN 0.309 nan 8.290 nan 0.000 0.413 504 N N 0.380 118.674 118.700 -0.675 0.000 2.376 504 N HA -0.055 4.685 4.740 0.000 0.000 0.177 504 N C 1.305 176.422 175.510 -0.656 0.000 1.024 504 N CA 1.030 53.620 53.050 -0.766 0.000 0.893 504 N CB 0.244 38.078 38.487 -1.089 0.000 0.980 504 N HN 0.222 nan 8.380 nan 0.000 0.439 505 K N -0.560 119.515 120.400 -0.542 0.000 2.276 505 K HA 0.198 4.518 4.320 0.000 0.000 0.198 505 K C 0.000 176.376 176.600 -0.373 0.000 1.052 505 K CA -0.161 55.884 56.287 -0.404 0.000 0.984 505 K CB 0.351 32.675 32.500 -0.294 0.000 0.836 505 K HN -0.018 nan 8.250 nan 0.000 0.490 506 R N 1.818 122.008 120.500 -0.517 0.000 2.537 506 R HA -0.028 4.312 4.340 0.000 0.000 0.281 506 R C -0.043 175.992 176.300 -0.441 0.000 0.988 506 R CA 0.193 55.980 56.100 -0.521 0.000 1.077 506 R CB 0.230 30.154 30.300 -0.627 0.000 0.932 506 R HN 0.015 nan 8.270 nan 0.000 0.409 507 V N 2.822 122.412 119.914 -0.539 0.000 2.612 507 V HA 0.574 4.694 4.120 0.000 0.000 0.301 507 V C -0.475 175.232 176.094 -0.645 0.000 1.046 507 V CA -0.678 61.276 62.300 -0.576 0.000 0.946 507 V CB 2.039 33.485 31.823 -0.627 0.000 1.003 507 V HN 0.446 nan 8.190 nan 0.000 0.459 508 V N 5.958 125.663 119.914 -0.348 0.000 2.709 508 V HA 0.876 4.996 4.120 0.000 0.000 0.308 508 V C 0.320 176.424 176.094 0.016 0.000 1.062 508 V CA -0.037 62.139 62.300 -0.208 0.000 0.901 508 V CB 1.691 33.374 31.823 -0.233 0.000 1.003 508 V HN 1.614 nan 8.190 nan 0.000 0.425 509 A N 7.910 130.757 122.820 0.045 0.000 2.404 509 A HA 0.596 4.916 4.320 0.000 0.000 0.273 509 A C -1.630 176.039 177.584 0.142 0.000 1.144 509 A CA -1.073 51.014 52.037 0.085 0.000 0.806 509 A CB 0.331 19.355 19.000 0.040 0.000 1.080 509 A HN 0.788 nan 8.150 nan 0.000 0.509 510 P HA -0.101 nan 4.420 nan 0.000 0.220 510 P C 1.563 178.898 177.300 0.059 0.000 1.148 510 P CA 1.678 64.876 63.100 0.165 0.000 0.803 510 P CB 0.070 31.689 31.700 -0.136 0.000 0.782 511 G N -0.322 108.500 108.800 0.037 0.000 2.535 511 G HA2 -0.183 3.777 3.960 0.000 0.000 0.218 511 G HA3 -0.183 3.777 3.960 0.000 0.000 0.218 511 G C 1.412 176.346 174.900 0.058 0.000 1.122 511 G CA 0.253 45.384 45.100 0.052 0.000 0.769 511 G HN 0.256 nan 8.290 nan 0.000 0.549 512 L N -0.329 120.924 121.223 0.051 0.000 2.109 512 L HA 0.058 4.398 4.340 0.000 0.000 0.207 512 L C 0.875 177.789 176.870 0.073 0.000 1.086 512 L CA 0.557 55.439 54.840 0.070 0.000 0.760 512 L CB 0.141 42.227 42.059 0.044 0.000 0.910 512 L HN 0.037 nan 8.230 nan 0.000 0.437 513 V N -0.785 119.140 119.914 0.017 0.000 2.468 513 V HA 0.220 4.340 4.120 0.000 0.000 0.256 513 V C -0.403 175.610 176.094 -0.135 0.000 0.998 513 V CA -0.582 61.697 62.300 -0.034 0.000 1.114 513 V CB 0.516 32.309 31.823 -0.049 0.000 1.378 513 V HN 0.102 nan 8.190 nan 0.000 0.573 514 D N 0.555 120.810 120.400 -0.241 0.000 2.383 514 D HA 0.127 4.767 4.640 0.000 0.000 0.248 514 D C 1.508 177.519 176.300 -0.481 0.000 1.170 514 D CA -0.006 53.723 54.000 -0.451 0.000 0.977 514 D CB 2.246 42.623 40.800 -0.704 0.000 1.120 514 D HN 0.538 nan 8.370 nan 0.000 0.481 515 C N 0.657 119.728 119.300 -0.380 0.000 2.400 515 C HA -0.161 4.299 4.460 0.000 0.000 0.291 515 C C 1.907 176.969 174.990 0.121 0.000 1.372 515 C CA 0.187 59.164 59.018 -0.069 0.000 1.800 515 C CB -2.137 25.721 27.740 0.197 0.000 1.869 515 C HN 0.612 nan 8.230 nan 0.000 0.533 516 Y N -1.142 119.264 120.300 0.176 0.000 2.532 516 Y HA 0.592 5.142 4.550 0.000 0.000 0.283 516 Y C 0.790 176.761 175.900 0.120 0.000 1.181 516 Y CA -2.154 56.030 58.100 0.141 0.000 1.256 516 Y CB -1.080 37.436 38.460 0.094 0.000 1.112 516 Y HN 0.176 nan 8.280 nan 0.000 0.521 517 I N 3.444 124.095 120.570 0.135 0.000 2.533 517 I HA 0.036 4.206 4.170 0.000 0.000 0.284 517 I C 0.167 176.387 176.117 0.172 0.000 1.109 517 I CA 0.159 61.558 61.300 0.164 0.000 1.412 517 I CB -0.400 37.648 38.000 0.080 0.000 1.396 517 I HN 0.526 nan 8.210 nan 0.000 0.543 518 N N 5.552 124.331 118.700 0.132 0.000 2.698 518 N HA -0.245 4.495 4.740 0.000 0.000 0.258 518 N C -0.080 175.484 175.510 0.090 0.000 0.978 518 N CA 0.501 53.593 53.050 0.070 0.000 0.777 518 N CB -0.908 37.621 38.487 0.071 0.000 0.907 518 N HN 0.550 nan 8.380 nan 0.000 0.543 519 L N 0.102 121.382 121.223 0.095 0.000 2.578 519 L HA 0.012 4.352 4.340 0.000 0.000 0.279 519 L C 1.658 178.557 176.870 0.048 0.000 1.227 519 L CA 1.217 56.112 54.840 0.091 0.000 0.900 519 L CB 0.083 42.196 42.059 0.090 0.000 1.144 519 L HN 0.647 nan 8.230 nan 0.000 0.496 520 G N 2.624 111.456 108.800 0.052 0.000 2.162 520 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 520 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 520 G C 0.163 175.091 174.900 0.046 0.000 0.976 520 G CA 0.150 45.274 45.100 0.039 0.000 0.655 520 G HN 0.999 nan 8.290 nan 0.000 0.533 521 A N -0.665 122.195 122.820 0.067 0.000 2.322 521 A HA 0.899 5.219 4.320 0.000 0.000 0.327 521 A C 0.360 178.033 177.584 0.149 0.000 1.134 521 A CA -0.166 51.924 52.037 0.089 0.000 0.831 521 A CB 1.042 20.074 19.000 0.053 0.000 1.288 521 A HN 0.685 nan 8.150 nan 0.000 0.472 522 R N 1.485 122.091 120.500 0.176 0.000 2.423 522 R HA 0.292 4.632 4.340 0.000 0.000 0.293 522 R C -1.594 174.870 176.300 0.273 0.000 1.196 522 R CA -0.168 56.037 56.100 0.175 0.000 1.262 522 R CB 0.424 30.790 30.300 0.109 0.000 1.116 522 R HN 0.774 nan 8.270 nan 0.000 0.566 523 W N 3.515 124.824 121.300 0.015 0.000 2.998 523 W HA 0.265 4.925 4.660 0.000 0.000 0.335 523 W C -1.059 175.454 176.519 -0.009 0.000 1.110 523 W CA -0.649 56.694 57.345 -0.003 0.000 1.230 523 W CB 2.214 31.677 29.460 0.005 0.000 1.405 523 W HN 0.488 nan 8.180 nan 0.000 0.493 524 S N 4.796 120.180 115.700 -0.527 0.000 2.537 524 S HA 0.491 4.961 4.470 0.000 0.000 0.275 524 S C -0.181 174.149 174.600 -0.450 0.000 1.272 524 S CA -0.697 57.261 58.200 -0.404 0.000 1.050 524 S CB 1.403 64.349 63.200 -0.423 0.000 0.961 524 S HN 0.438 nan 8.310 nan 0.000 0.496 525 L N 2.815 123.965 121.223 -0.122 0.000 2.499 525 L HA 0.063 4.403 4.340 0.000 0.000 0.273 525 L C 0.945 177.777 176.870 -0.064 0.000 1.195 525 L CA -0.304 54.548 54.840 0.020 0.000 0.882 525 L CB 0.121 42.239 42.059 0.097 0.000 1.133 525 L HN 0.756 nan 8.230 nan 0.000 0.483 526 D N 1.773 122.168 120.400 -0.008 0.000 2.263 526 D HA -0.187 4.453 4.640 0.000 0.000 0.208 526 D C 1.624 177.901 176.300 -0.039 0.000 0.971 526 D CA 1.424 55.384 54.000 -0.067 0.000 0.867 526 D CB 0.120 40.908 40.800 -0.021 0.000 0.929 526 D HN 0.479 nan 8.370 nan 0.000 0.492 527 Y N -0.170 120.155 120.300 0.042 0.000 2.286 527 Y HA -0.000 4.550 4.550 0.000 0.000 0.293 527 Y C 2.187 178.094 175.900 0.012 0.000 1.124 527 Y CA 0.643 58.763 58.100 0.035 0.000 1.178 527 Y CB -0.130 38.352 38.460 0.037 0.000 1.010 527 Y HN -0.043 nan 8.280 nan 0.000 0.536 528 M N -0.604 119.078 119.600 0.137 0.000 2.541 528 M HA -0.049 4.431 4.480 0.000 0.000 0.252 528 M C 1.056 177.346 176.300 -0.018 0.000 1.125 528 M CA 0.633 55.953 55.300 0.034 0.000 1.091 528 M CB -0.726 31.854 32.600 -0.033 0.000 1.420 528 M HN 0.148 nan 8.290 nan 0.000 0.486 529 D N 1.658 122.035 120.400 -0.038 0.000 2.116 529 D HA -0.156 4.484 4.640 0.000 0.000 0.193 529 D C 1.094 177.493 176.300 0.165 0.000 0.998 529 D CA 1.230 55.185 54.000 -0.074 0.000 0.836 529 D CB -0.244 40.438 40.800 -0.197 0.000 0.951 529 D HN 0.335 nan 8.370 nan 0.000 0.449 530 N N 0.023 118.861 118.700 0.230 0.000 2.314 530 N HA 0.032 4.772 4.740 0.000 0.000 0.200 530 N C -0.458 175.265 175.510 0.356 0.000 1.135 530 N CA 0.015 53.268 53.050 0.338 0.000 0.835 530 N CB 0.954 39.582 38.487 0.236 0.000 0.989 530 N HN 0.012 nan 8.380 nan 0.000 0.478 531 V N 1.671 121.694 119.914 0.181 0.000 2.407 531 V HA 0.118 4.238 4.120 0.000 0.000 0.278 531 V C 0.584 176.525 176.094 -0.255 0.000 1.037 531 V CA -1.152 61.177 62.300 0.049 0.000 0.900 531 V CB 1.351 33.186 31.823 0.021 0.000 0.983 531 V HN 0.179 nan 8.190 nan 0.000 0.459 532 N N 7.730 126.165 118.700 -0.442 0.000 2.386 532 N HA 0.025 4.765 4.740 0.000 0.000 0.273 532 N C -1.442 173.763 175.510 -0.508 0.000 1.331 532 N CA -1.202 51.280 53.050 -0.945 0.000 0.891 532 N CB 1.422 39.695 38.487 -0.357 0.000 1.139 532 N HN 0.338 nan 8.380 nan 0.000 0.487 533 P HA -0.032 nan 4.420 nan 0.000 0.225 533 P C 0.851 177.797 177.300 -0.589 0.000 1.156 533 P CA 0.982 63.639 63.100 -0.739 0.000 0.787 533 P CB 0.002 30.964 31.700 -1.231 0.000 0.802 534 F N -0.198 119.724 119.950 -0.046 0.000 2.367 534 F HA 0.023 4.550 4.527 0.000 0.000 0.298 534 F C 1.105 176.952 175.800 0.079 0.000 1.094 534 F CA 0.401 58.444 58.000 0.073 0.000 1.409 534 F CB -1.154 37.909 39.000 0.104 0.000 1.064 534 F HN -0.153 nan 8.300 nan 0.000 0.528 535 N N 1.468 120.284 118.700 0.193 0.000 2.671 535 N HA 0.004 4.744 4.740 0.000 0.000 0.274 535 N C -0.653 174.981 175.510 0.207 0.000 1.188 535 N CA 0.435 53.608 53.050 0.203 0.000 1.065 535 N CB -0.497 38.115 38.487 0.208 0.000 1.415 535 N HN 0.307 nan 8.380 nan 0.000 0.511 536 H N 0.546 119.648 119.070 0.054 0.000 3.064 536 H HA 0.028 4.584 4.556 0.000 0.000 0.352 536 H C 0.765 176.145 175.328 0.086 0.000 1.260 536 H CA -0.381 55.619 56.048 -0.080 0.000 1.160 536 H CB 1.204 30.710 29.762 -0.427 0.000 1.879 536 H HN 0.506 nan 8.280 nan 0.000 0.544 537 H N 2.331 121.445 119.070 0.073 0.000 2.546 537 H HA 0.070 4.626 4.556 0.000 0.000 0.277 537 H C 0.505 176.023 175.328 0.316 0.000 1.004 537 H CA 0.454 56.688 56.048 0.310 0.000 1.231 537 H CB 0.271 30.200 29.762 0.278 0.000 1.382 537 H HN 0.348 nan 8.280 nan 0.000 0.580 538 R N 0.937 121.466 120.500 0.047 0.000 2.388 538 R HA 0.033 4.373 4.340 0.000 0.000 0.247 538 R C 0.119 176.425 176.300 0.011 0.000 0.931 538 R CA -0.243 55.844 56.100 -0.022 0.000 1.082 538 R CB 0.121 30.328 30.300 -0.154 0.000 1.135 538 R HN 0.111 nan 8.270 nan 0.000 0.525 539 N N 1.204 119.942 118.700 0.062 0.000 2.415 539 N HA 0.050 4.790 4.740 0.000 0.000 0.250 539 N C 0.699 176.230 175.510 0.035 0.000 1.127 539 N CA -0.014 53.082 53.050 0.076 0.000 0.945 539 N CB 1.264 39.837 38.487 0.143 0.000 1.196 539 N HN 0.105 nan 8.380 nan 0.000 0.499 540 A N 3.714 126.566 122.820 0.054 0.000 1.917 540 A HA -0.104 4.216 4.320 0.000 0.000 0.219 540 A C 1.980 179.608 177.584 0.074 0.000 1.182 540 A CA 1.947 54.035 52.037 0.087 0.000 0.633 540 A CB -1.142 17.944 19.000 0.142 0.000 0.819 540 A HN 0.666 nan 8.150 nan 0.000 0.448 541 G N -0.127 108.691 108.800 0.030 0.000 2.459 541 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 541 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 541 G C 1.513 176.360 174.900 -0.089 0.000 1.183 541 G CA 1.300 46.315 45.100 -0.141 0.000 0.776 541 G HN 0.653 nan 8.290 nan 0.000 0.552 542 L N 0.491 121.700 121.223 -0.024 0.000 2.056 542 L HA 0.127 4.467 4.340 0.000 0.000 0.207 542 L C 2.669 179.493 176.870 -0.077 0.000 1.078 542 L CA 2.174 57.007 54.840 -0.012 0.000 0.749 542 L CB -0.619 41.471 42.059 0.051 0.000 0.901 542 L HN 0.232 nan 8.230 nan 0.000 0.433 543 R N -1.675 118.713 120.500 -0.187 0.000 2.083 543 R HA -0.273 4.067 4.340 0.000 0.000 0.237 543 R C 2.433 178.641 176.300 -0.154 0.000 1.137 543 R CA 2.166 58.003 56.100 -0.439 0.000 0.951 543 R CB -0.714 29.310 30.300 -0.459 0.000 0.851 543 R HN 0.582 nan 8.270 nan 0.000 0.434 544 Y N 0.751 120.962 120.300 -0.149 0.000 2.181 544 Y HA -0.170 4.380 4.550 0.000 0.000 0.288 544 Y C 2.124 177.976 175.900 -0.080 0.000 1.146 544 Y CA 1.728 59.778 58.100 -0.084 0.000 1.164 544 Y CB -0.007 38.387 38.460 -0.110 0.000 0.982 544 Y HN -0.020 nan 8.280 nan 0.000 0.515 545 R N -0.578 119.887 120.500 -0.059 0.000 2.115 545 R HA -0.133 4.207 4.340 0.000 0.000 0.230 545 R C 2.755 179.012 176.300 -0.072 0.000 1.111 545 R CA 1.238 57.277 56.100 -0.102 0.000 0.976 545 R CB -0.476 29.799 30.300 -0.041 0.000 0.870 545 R HN 0.301 nan 8.270 nan 0.000 0.445 546 S N 0.298 115.990 115.700 -0.014 0.000 2.368 546 S HA -0.113 4.357 4.470 0.000 0.000 0.224 546 S C 1.878 176.530 174.600 0.086 0.000 1.029 546 S CA 1.111 59.366 58.200 0.091 0.000 0.988 546 S CB 0.027 63.416 63.200 0.316 0.000 0.838 546 S HN 0.207 nan 8.310 nan 0.000 0.462 547 M N 0.434 120.050 119.600 0.027 0.000 2.319 547 M HA 0.019 4.499 4.480 0.000 0.000 0.265 547 M C 1.858 178.110 176.300 -0.079 0.000 1.068 547 M CA 0.595 55.906 55.300 0.017 0.000 1.118 547 M CB -0.289 32.322 32.600 0.019 0.000 1.395 547 M HN 0.288 nan 8.290 nan 0.000 0.435 548 L N 0.501 121.598 121.223 -0.210 0.000 2.127 548 L HA -0.153 4.187 4.340 0.000 0.000 0.211 548 L C 2.015 178.855 176.870 -0.049 0.000 1.089 548 L CA 1.841 56.551 54.840 -0.216 0.000 0.757 548 L CB -0.638 41.248 42.059 -0.288 0.000 0.899 548 L HN 0.313 nan 8.230 nan 0.000 0.434 549 L N -2.045 119.176 121.223 -0.004 0.000 2.209 549 L HA 0.259 4.599 4.340 0.000 0.000 0.207 549 L C 1.143 178.040 176.870 0.045 0.000 1.094 549 L CA 0.499 55.366 54.840 0.046 0.000 0.790 549 L CB -0.382 41.684 42.059 0.011 0.000 0.932 549 L HN 0.444 nan 8.230 nan 0.000 0.447 550 G N 0.111 108.942 108.800 0.051 0.000 2.334 550 G HA2 -0.185 3.775 3.960 0.000 0.000 0.315 550 G HA3 -0.185 3.775 3.960 0.000 0.000 0.315 550 G C -0.484 174.516 174.900 0.166 0.000 1.284 550 G CA -0.056 45.095 45.100 0.086 0.000 0.985 550 G HN 0.114 nan 8.290 nan 0.000 0.504 551 N N 0.075 118.887 118.700 0.187 0.000 2.203 551 N HA 0.343 5.083 4.740 0.000 0.000 0.207 551 N C 0.728 176.444 175.510 0.343 0.000 1.130 551 N CA 0.787 54.004 53.050 0.279 0.000 0.861 551 N CB 1.023 39.608 38.487 0.164 0.000 1.005 551 N HN 1.120 nan 8.380 nan 0.000 0.507 552 G N -0.119 108.833 108.800 0.252 0.000 2.432 552 G HA2 0.312 4.272 3.960 0.000 0.000 0.331 552 G HA3 0.312 4.272 3.960 0.000 0.000 0.331 552 G C 0.400 175.319 174.900 0.032 0.000 1.170 552 G CA -0.733 44.479 45.100 0.186 0.000 0.943 552 G HN 0.026 nan 8.290 nan 0.000 0.483 553 R N -0.303 120.162 120.500 -0.059 0.000 2.080 553 R HA -0.088 4.252 4.340 0.000 0.000 0.236 553 R C -0.086 175.966 176.300 -0.413 0.000 1.137 553 R CA 1.113 57.009 56.100 -0.341 0.000 0.943 553 R CB -0.295 29.632 30.300 -0.622 0.000 0.846 553 R HN 0.521 nan 8.270 nan 0.000 0.431 554 Y N 0.199 120.491 120.300 -0.013 0.000 2.365 554 Y HA 0.297 4.847 4.550 0.000 0.000 0.340 554 Y C -0.386 175.516 175.900 0.003 0.000 1.016 554 Y CA -0.648 57.446 58.100 -0.010 0.000 1.196 554 Y CB 1.393 39.858 38.460 0.009 0.000 1.167 554 Y HN -0.235 nan 8.280 nan 0.000 0.509 555 V N 5.720 125.733 119.914 0.165 0.000 2.569 555 V HA 0.416 4.536 4.120 0.000 0.000 0.301 555 V C -2.595 173.624 176.094 0.209 0.000 1.044 555 V CA -2.165 60.227 62.300 0.153 0.000 0.874 555 V CB 2.193 34.079 31.823 0.105 0.000 1.002 555 V HN 0.508 nan 8.190 nan 0.000 0.424 556 P HA 0.482 nan 4.420 nan 0.000 0.293 556 P C -1.039 176.350 177.300 0.149 0.000 1.300 556 P CA -0.197 62.943 63.100 0.067 0.000 0.792 556 P CB 0.644 32.351 31.700 0.011 0.000 0.925 557 F N 0.122 120.145 119.950 0.121 0.000 2.556 557 F HA 0.673 5.200 4.527 0.000 0.000 0.327 557 F C -0.572 175.329 175.800 0.169 0.000 1.059 557 F CA -1.122 56.979 58.000 0.169 0.000 0.953 557 F CB 1.743 40.910 39.000 0.278 0.000 1.227 557 F HN 0.358 nan 8.300 nan 0.000 0.478 558 H N 3.861 123.075 119.070 0.239 0.000 3.108 558 H HA 0.624 5.180 4.556 0.000 0.000 0.329 558 H C -1.364 174.024 175.328 0.100 0.000 0.978 558 H CA -0.885 55.225 56.048 0.103 0.000 1.413 558 H CB 1.481 31.262 29.762 0.032 0.000 1.670 558 H HN 0.875 nan 8.280 nan 0.000 0.512 559 I N 0.969 121.648 120.570 0.182 0.000 3.145 559 I HA 0.526 4.696 4.170 0.000 0.000 0.313 559 I C -1.577 174.461 176.117 -0.131 0.000 1.122 559 I CA -1.263 59.977 61.300 -0.100 0.000 0.987 559 I CB 2.720 40.490 38.000 -0.384 0.000 1.236 559 I HN 0.398 nan 8.210 nan 0.000 0.453 560 Q N 2.453 122.149 119.800 -0.174 0.000 2.327 560 Q HA 0.608 4.948 4.340 0.000 0.000 0.270 560 Q C -1.244 174.864 176.000 0.180 0.000 1.022 560 Q CA -0.521 55.267 55.803 -0.024 0.000 0.773 560 Q CB 2.526 31.011 28.738 -0.422 0.000 1.251 560 Q HN 0.551 nan 8.270 nan 0.000 0.457 561 V N 4.241 124.299 119.914 0.240 0.000 2.435 561 V HA 0.621 4.741 4.120 0.000 0.000 0.290 561 V C -2.219 174.023 176.094 0.247 0.000 1.030 561 V CA -1.963 60.477 62.300 0.233 0.000 0.881 561 V CB 1.472 33.349 31.823 0.090 0.000 0.983 561 V HN 0.670 nan 8.190 nan 0.000 0.445 562 P HA 0.349 nan 4.420 nan 0.000 0.287 562 P C -1.262 175.887 177.300 -0.251 0.000 1.270 562 P CA -0.796 62.077 63.100 -0.379 0.000 0.844 562 P CB 1.085 32.255 31.700 -0.882 0.000 1.068 563 Q N 1.350 120.981 119.800 -0.281 0.000 2.294 563 Q HA 0.179 4.519 4.340 0.000 0.000 0.257 563 Q C 0.276 176.129 176.000 -0.244 0.000 0.955 563 Q CA 0.609 56.280 55.803 -0.220 0.000 0.936 563 Q CB 0.745 29.355 28.738 -0.214 0.000 1.188 563 Q HN 0.270 nan 8.270 nan 0.000 0.420 564 K N 3.334 123.631 120.400 -0.172 0.000 2.370 564 K HA 0.152 4.472 4.320 0.000 0.000 0.194 564 K C -0.221 176.275 176.600 -0.173 0.000 1.070 564 K CA -0.260 55.797 56.287 -0.383 0.000 0.998 564 K CB 0.292 32.371 32.500 -0.701 0.000 0.911 564 K HN 0.494 nan 8.250 nan 0.000 0.533 565 F N 2.811 122.654 119.950 -0.179 0.000 2.580 565 F HA -0.149 4.378 4.527 0.000 0.000 0.398 565 F C 1.083 176.874 175.800 -0.016 0.000 1.023 565 F CA -0.866 57.132 58.000 -0.004 0.000 1.188 565 F CB 0.194 39.350 39.000 0.261 0.000 1.005 565 F HN 0.070 nan 8.300 nan 0.000 0.546 566 F N 4.381 123.946 119.950 -0.643 0.000 2.161 566 F HA -0.083 4.444 4.527 0.000 0.000 0.300 566 F C 1.739 177.253 175.800 -0.477 0.000 1.089 566 F CA 1.331 59.054 58.000 -0.461 0.000 1.282 566 F CB -1.194 37.620 39.000 -0.310 0.000 1.010 566 F HN 0.382 nan 8.300 nan 0.000 0.485 567 A N 1.042 122.908 122.820 -1.590 0.000 2.119 567 A HA 0.082 4.402 4.320 0.000 0.000 0.217 567 A C 2.057 179.324 177.584 -0.529 0.000 1.153 567 A CA 1.515 52.976 52.037 -0.960 0.000 0.692 567 A CB -1.133 17.436 19.000 -0.717 0.000 0.799 567 A HN 0.760 nan 8.150 nan 0.000 0.458 568 I N -4.046 116.309 120.570 -0.359 0.000 4.456 568 I HA 0.156 4.326 4.170 0.000 0.000 0.329 568 I C 1.724 177.641 176.117 -0.333 0.000 1.313 568 I CA 0.506 61.641 61.300 -0.276 0.000 1.205 568 I CB -0.034 37.940 38.000 -0.043 0.000 1.179 568 I HN 0.155 nan 8.210 nan 0.000 0.419 569 K N 2.205 122.422 120.400 -0.306 0.000 2.113 569 K HA -0.141 4.179 4.320 0.000 0.000 0.208 569 K C 0.633 177.079 176.600 -0.257 0.000 1.047 569 K CA 2.516 58.659 56.287 -0.241 0.000 0.928 569 K CB -0.694 31.714 32.500 -0.153 0.000 0.716 569 K HN 0.503 nan 8.250 nan 0.000 0.446 570 N N 0.229 118.691 118.700 -0.396 0.000 2.177 570 N HA 0.143 4.883 4.740 0.000 0.000 0.218 570 N C -0.832 174.537 175.510 -0.235 0.000 1.182 570 N CA -0.513 52.388 53.050 -0.249 0.000 0.882 570 N CB 0.608 39.048 38.487 -0.079 0.000 1.052 570 N HN 0.035 nan 8.380 nan 0.000 0.519 571 L N 1.507 122.486 121.223 -0.407 0.000 2.490 571 L HA 0.202 4.542 4.340 0.000 0.000 0.274 571 L C -0.429 176.388 176.870 -0.088 0.000 1.201 571 L CA -0.159 54.567 54.840 -0.189 0.000 0.869 571 L CB 0.472 42.377 42.059 -0.255 0.000 1.123 571 L HN 0.070 nan 8.230 nan 0.000 0.484 572 L N 5.804 127.035 121.223 0.012 0.000 2.259 572 L HA 0.390 4.729 4.340 0.000 0.000 0.288 572 L C -0.824 176.015 176.870 -0.051 0.000 1.051 572 L CA -0.186 54.640 54.840 -0.023 0.000 0.824 572 L CB 0.802 42.870 42.059 0.015 0.000 1.206 572 L HN 0.616 nan 8.230 nan 0.000 0.429 573 L N 5.768 126.921 121.223 -0.116 0.000 2.313 573 L HA 0.365 4.705 4.340 0.000 0.000 0.282 573 L C -0.212 176.641 176.870 -0.030 0.000 1.092 573 L CA 0.371 55.115 54.840 -0.161 0.000 0.831 573 L CB 0.625 42.491 42.059 -0.322 0.000 1.159 573 L HN 0.540 nan 8.230 nan 0.000 0.442 574 L N 5.852 127.097 121.223 0.036 0.000 2.479 574 L HA 0.444 4.784 4.340 0.000 0.000 0.249 574 L C -1.891 175.115 176.870 0.227 0.000 1.178 574 L CA -2.090 52.817 54.840 0.113 0.000 0.811 574 L CB 0.039 42.149 42.059 0.085 0.000 1.187 574 L HN 0.465 nan 8.230 nan 0.000 0.480 575 P HA 0.236 nan 4.420 nan 0.000 0.269 575 P C -0.156 177.234 177.300 0.150 0.000 1.209 575 P CA 0.234 63.437 63.100 0.172 0.000 0.776 575 P CB 0.709 32.462 31.700 0.088 0.000 0.876 576 G N 0.341 109.183 108.800 0.070 0.000 2.368 576 G HA2 0.222 4.182 3.960 0.000 0.000 0.302 576 G HA3 0.222 4.182 3.960 0.000 0.000 0.302 576 G C -1.479 173.191 174.900 -0.384 0.000 1.329 576 G CA -0.612 44.362 45.100 -0.209 0.000 0.935 576 G HN 0.376 nan 8.290 nan 0.000 0.590 577 S N -0.186 115.189 115.700 -0.541 0.000 2.451 577 S HA 0.804 5.274 4.470 0.000 0.000 0.301 577 S C -1.227 173.022 174.600 -0.584 0.000 1.116 577 S CA -0.340 57.641 58.200 -0.365 0.000 1.093 577 S CB 0.673 63.789 63.200 -0.141 0.000 1.017 577 S HN 0.484 nan 8.310 nan 0.000 0.482 578 Y N 0.331 120.640 120.300 0.014 0.000 2.536 578 Y HA 0.433 4.983 4.550 0.000 0.000 0.347 578 Y C 0.567 176.508 175.900 0.069 0.000 1.000 578 Y CA -1.088 57.031 58.100 0.031 0.000 1.051 578 Y CB 1.254 39.716 38.460 0.003 0.000 1.259 578 Y HN 0.320 nan 8.280 nan 0.000 0.468 579 T N 2.705 117.418 114.554 0.264 0.000 2.738 579 T HA 0.192 4.542 4.350 0.000 0.000 0.298 579 T C -1.593 173.322 174.700 0.359 0.000 0.962 579 T CA -0.228 62.017 62.100 0.243 0.000 0.972 579 T CB -0.404 68.558 68.868 0.157 0.000 0.928 579 T HN 0.391 nan 8.240 nan 0.000 0.474 580 Y N 3.602 124.043 120.300 0.235 0.000 2.328 580 Y HA 0.514 5.064 4.550 0.000 0.000 0.333 580 Y C -0.189 175.967 175.900 0.427 0.000 0.958 580 Y CA -1.752 56.535 58.100 0.311 0.000 1.167 580 Y CB 0.868 39.480 38.460 0.253 0.000 1.151 580 Y HN 0.630 nan 8.280 nan 0.000 0.470 581 E N 6.100 126.465 120.200 0.275 0.000 2.314 581 E HA 0.334 4.684 4.350 0.000 0.000 0.272 581 E C -1.923 174.730 176.600 0.089 0.000 0.884 581 E CA -0.542 55.940 56.400 0.136 0.000 0.753 581 E CB 1.669 31.394 29.700 0.043 0.000 1.213 581 E HN 0.694 nan 8.360 nan 0.000 0.432 582 W N 2.583 123.750 121.300 -0.223 0.000 3.118 582 W HA 0.382 5.042 4.660 -0.000 0.000 0.328 582 W C -1.151 175.117 176.519 -0.419 0.000 1.239 582 W CA -0.632 56.467 57.345 -0.410 0.000 1.176 582 W CB 2.227 31.284 29.460 -0.672 0.000 1.433 582 W HN 0.529 nan 8.180 nan 0.000 0.562 583 N N 2.168 120.612 118.700 -0.428 0.000 2.399 583 N HA 0.484 5.224 4.740 0.000 0.000 0.295 583 N C -1.538 173.852 175.510 -0.199 0.000 1.048 583 N CA -0.252 52.690 53.050 -0.181 0.000 0.886 583 N CB 1.685 40.032 38.487 -0.233 0.000 1.185 583 N HN 0.036 nan 8.380 nan 0.000 0.487 584 F N 0.635 120.749 119.950 0.273 0.000 2.520 584 F HA 0.460 4.987 4.527 0.000 0.000 0.322 584 F C 1.027 177.030 175.800 0.339 0.000 1.103 584 F CA -0.878 57.231 58.000 0.182 0.000 0.926 584 F CB 1.341 40.257 39.000 -0.141 0.000 1.154 584 F HN 0.086 nan 8.300 nan 0.000 0.453 585 R N 1.442 122.122 120.500 0.299 0.000 2.582 585 R HA 0.303 4.643 4.340 0.000 0.000 0.271 585 R C 0.620 177.204 176.300 0.473 0.000 1.078 585 R CA -0.213 56.040 56.100 0.255 0.000 1.127 585 R CB 0.861 31.127 30.300 -0.058 0.000 1.038 585 R HN 0.712 nan 8.270 nan 0.000 0.500 586 K N 0.297 120.953 120.400 0.428 0.000 2.450 586 K HA 0.012 4.332 4.320 0.000 0.000 0.206 586 K C -0.474 176.274 176.600 0.247 0.000 1.148 586 K CA -0.080 56.411 56.287 0.340 0.000 1.014 586 K CB 0.602 33.290 32.500 0.313 0.000 0.966 586 K HN 0.484 nan 8.250 nan 0.000 0.566 587 D N 1.997 122.576 120.400 0.297 0.000 2.389 587 D HA -0.054 4.586 4.640 0.000 0.000 0.263 587 D C 1.386 177.789 176.300 0.173 0.000 1.255 587 D CA -0.034 54.131 54.000 0.275 0.000 0.914 587 D CB 1.191 42.170 40.800 0.297 0.000 1.116 587 D HN -0.033 nan 8.370 nan 0.000 0.502 588 V N 2.485 122.471 119.914 0.120 0.000 2.469 588 V HA -0.238 3.882 4.120 0.000 0.000 0.251 588 V C 1.691 177.811 176.094 0.045 0.000 1.064 588 V CA 1.428 63.755 62.300 0.046 0.000 1.066 588 V CB -0.621 31.198 31.823 -0.007 0.000 0.667 588 V HN 0.388 nan 8.190 nan 0.000 0.461 589 N N -0.244 118.503 118.700 0.079 0.000 2.453 589 N HA 0.019 4.759 4.740 0.000 0.000 0.183 589 N C 1.564 177.192 175.510 0.196 0.000 1.041 589 N CA 1.532 54.626 53.050 0.074 0.000 0.900 589 N CB -0.147 38.359 38.487 0.032 0.000 0.961 589 N HN 0.488 nan 8.380 nan 0.000 0.443 590 M N -0.764 118.949 119.600 0.188 0.000 2.557 590 M HA 0.096 4.576 4.480 0.000 0.000 0.262 590 M C 2.093 178.485 176.300 0.153 0.000 1.168 590 M CA 0.617 56.024 55.300 0.177 0.000 1.194 590 M CB -0.841 31.824 32.600 0.109 0.000 1.311 590 M HN 0.018 nan 8.290 nan 0.000 0.489 591 V N -0.703 119.304 119.914 0.155 0.000 2.871 591 V HA 0.130 4.250 4.120 0.000 0.000 0.256 591 V C 0.959 177.141 176.094 0.147 0.000 1.082 591 V CA 0.553 62.981 62.300 0.213 0.000 1.105 591 V CB -0.356 31.642 31.823 0.292 0.000 0.713 591 V HN 0.204 nan 8.190 nan 0.000 0.473 592 L N 0.912 122.146 121.223 0.018 0.000 2.322 592 L HA 0.638 4.978 4.340 0.000 0.000 0.269 592 L C -0.385 176.460 176.870 -0.040 0.000 1.012 592 L CA -0.463 54.321 54.840 -0.093 0.000 0.815 592 L CB 1.742 43.680 42.059 -0.202 0.000 1.295 592 L HN 0.277 nan 8.230 nan 0.000 0.438 593 Q N 1.117 120.884 119.800 -0.056 0.000 2.331 593 Q HA 0.557 4.897 4.340 0.000 0.000 0.272 593 Q C -1.530 174.455 176.000 -0.024 0.000 1.062 593 Q CA -0.559 55.224 55.803 -0.033 0.000 0.806 593 Q CB 2.519 31.266 28.738 0.015 0.000 1.312 593 Q HN 0.775 nan 8.270 nan 0.000 0.431 594 S N 0.797 116.476 115.700 -0.035 0.000 2.600 594 S HA 0.411 4.881 4.470 0.000 0.000 0.300 594 S C 0.563 175.202 174.600 0.065 0.000 1.087 594 S CA -0.074 58.138 58.200 0.020 0.000 0.965 594 S CB 1.684 64.873 63.200 -0.019 0.000 1.089 594 S HN 0.733 nan 8.310 nan 0.000 0.496 595 S N 0.854 116.642 115.700 0.147 0.000 2.436 595 S HA 0.005 4.475 4.470 0.000 0.000 0.228 595 S C 1.375 176.080 174.600 0.176 0.000 1.014 595 S CA 0.270 58.590 58.200 0.199 0.000 0.950 595 S CB -0.546 62.841 63.200 0.313 0.000 0.784 595 S HN 0.490 nan 8.310 nan 0.000 0.504 596 L N 1.561 122.854 121.223 0.117 0.000 2.375 596 L HA 0.372 4.712 4.340 0.000 0.000 0.215 596 L C 1.949 178.848 176.870 0.049 0.000 1.108 596 L CA 1.136 56.027 54.840 0.084 0.000 0.830 596 L CB -1.470 40.628 42.059 0.066 0.000 0.959 596 L HN 0.597 nan 8.230 nan 0.000 0.457 597 G N 0.363 109.146 108.800 -0.028 0.000 2.160 597 G HA2 -0.315 3.645 3.960 0.000 0.000 0.251 597 G HA3 -0.315 3.645 3.960 0.000 0.000 0.251 597 G C 0.459 175.264 174.900 -0.160 0.000 1.008 597 G CA 0.498 45.473 45.100 -0.208 0.000 0.724 597 G HN 0.557 nan 8.290 nan 0.000 0.514 598 N N 0.328 118.995 118.700 -0.056 0.000 2.260 598 N HA 0.223 4.963 4.740 0.000 0.000 0.230 598 N C -0.388 175.080 175.510 -0.069 0.000 1.323 598 N CA 0.074 53.114 53.050 -0.018 0.000 0.897 598 N CB 0.547 39.069 38.487 0.058 0.000 1.146 598 N HN 0.117 nan 8.380 nan 0.000 0.460 599 D N 0.275 120.652 120.400 -0.039 0.000 2.402 599 D HA 0.118 4.758 4.640 0.000 0.000 0.235 599 D C 1.111 177.387 176.300 -0.041 0.000 1.226 599 D CA -0.302 53.664 54.000 -0.056 0.000 0.918 599 D CB -0.092 40.687 40.800 -0.034 0.000 1.043 599 D HN 0.479 nan 8.370 nan 0.000 0.506 600 L N 3.568 124.755 121.223 -0.060 0.000 2.265 600 L HA -0.149 4.191 4.340 0.000 0.000 0.215 600 L C 2.422 179.281 176.870 -0.018 0.000 1.117 600 L CA 0.684 55.496 54.840 -0.047 0.000 0.782 600 L CB -0.228 41.791 42.059 -0.065 0.000 0.914 600 L HN 0.344 nan 8.230 nan 0.000 0.441 601 R N -0.495 120.006 120.500 0.001 0.000 2.066 601 R HA -0.079 4.261 4.340 0.000 0.000 0.232 601 R C 2.199 178.513 176.300 0.023 0.000 1.131 601 R CA 1.098 57.216 56.100 0.031 0.000 0.955 601 R CB -0.840 29.500 30.300 0.066 0.000 0.851 601 R HN 0.180 nan 8.270 nan 0.000 0.432 602 V N 2.234 122.158 119.914 0.015 0.000 2.453 602 V HA -0.143 3.977 4.120 0.000 0.000 0.247 602 V C 0.941 177.041 176.094 0.009 0.000 1.048 602 V CA 1.681 63.989 62.300 0.015 0.000 1.049 602 V CB -0.368 31.462 31.823 0.012 0.000 0.672 602 V HN 0.197 nan 8.190 nan 0.000 0.457 603 D N 0.254 120.654 120.400 -0.000 0.000 2.332 603 D HA 0.163 4.803 4.640 0.000 0.000 0.244 603 D C 1.690 177.973 176.300 -0.027 0.000 1.136 603 D CA 0.948 54.941 54.000 -0.011 0.000 0.884 603 D CB -0.101 40.693 40.800 -0.010 0.000 0.906 603 D HN 0.492 nan 8.370 nan 0.000 0.520 604 G N 0.278 109.070 108.800 -0.014 0.000 2.155 604 G HA2 -0.272 3.688 3.960 0.000 0.000 0.257 604 G HA3 -0.272 3.688 3.960 0.000 0.000 0.257 604 G C 0.605 175.490 174.900 -0.025 0.000 0.983 604 G CA 0.273 45.365 45.100 -0.013 0.000 0.676 604 G HN 0.621 nan 8.290 nan 0.000 0.528 605 A N -0.531 122.264 122.820 -0.041 0.000 2.407 605 A HA 0.766 5.086 4.320 0.000 0.000 0.248 605 A C 0.638 178.199 177.584 -0.039 0.000 1.082 605 A CA 1.084 53.083 52.037 -0.063 0.000 0.785 605 A CB 0.962 19.907 19.000 -0.092 0.000 1.020 605 A HN 1.478 nan 8.150 nan 0.000 0.489 606 S N 0.449 116.124 115.700 -0.043 0.000 2.564 606 S HA 0.744 5.214 4.470 0.000 0.000 0.274 606 S C -1.176 173.401 174.600 -0.038 0.000 1.124 606 S CA -0.481 57.706 58.200 -0.022 0.000 0.869 606 S CB 0.939 64.144 63.200 0.008 0.000 1.105 606 S HN 0.890 nan 8.310 nan 0.000 0.472 607 I N 3.315 123.854 120.570 -0.052 0.000 2.644 607 I HA 0.529 4.699 4.170 0.000 0.000 0.291 607 I C -1.579 174.437 176.117 -0.168 0.000 1.180 607 I CA -0.507 60.742 61.300 -0.085 0.000 1.040 607 I CB 1.722 39.630 38.000 -0.152 0.000 1.255 607 I HN 0.741 nan 8.210 nan 0.000 0.422 608 K N 6.680 126.996 120.400 -0.141 0.000 2.443 608 K HA 0.469 4.789 4.320 0.000 0.000 0.252 608 K C -2.113 174.366 176.600 -0.200 0.000 0.933 608 K CA -0.492 55.690 56.287 -0.175 0.000 0.792 608 K CB 1.443 33.911 32.500 -0.053 0.000 1.185 608 K HN 0.326 nan 8.250 nan 0.000 0.425 609 F N 3.320 123.290 119.950 0.035 0.000 2.404 609 F HA 0.218 4.745 4.527 0.000 0.000 0.358 609 F C 0.859 176.578 175.800 -0.135 0.000 1.120 609 F CA -0.613 57.302 58.000 -0.141 0.000 1.144 609 F CB 1.306 40.028 39.000 -0.465 0.000 1.133 609 F HN 0.661 nan 8.300 nan 0.000 0.495 610 D N 0.584 120.987 120.400 0.004 0.000 2.262 610 D HA 0.014 4.654 4.640 0.000 0.000 0.212 610 D C 0.496 176.786 176.300 -0.017 0.000 0.964 610 D CA 0.977 54.966 54.000 -0.019 0.000 0.875 610 D CB 0.428 41.177 40.800 -0.086 0.000 0.996 610 D HN 0.427 nan 8.370 nan 0.000 0.497 611 S N -0.422 115.231 115.700 -0.078 0.000 2.542 611 S HA 0.540 5.010 4.470 0.000 0.000 0.276 611 S C -1.243 173.292 174.600 -0.108 0.000 1.148 611 S CA -1.009 57.156 58.200 -0.059 0.000 0.886 611 S CB 1.680 64.861 63.200 -0.033 0.000 1.109 611 S HN 0.088 nan 8.310 nan 0.000 0.458 612 I N 2.225 122.759 120.570 -0.059 0.000 2.499 612 I HA 0.741 4.911 4.170 0.000 0.000 0.288 612 I C -1.139 175.122 176.117 0.240 0.000 1.048 612 I CA -0.257 61.027 61.300 -0.027 0.000 1.062 612 I CB 1.079 38.911 38.000 -0.280 0.000 1.238 612 I HN 0.975 nan 8.210 nan 0.000 0.426 613 C N 5.918 125.376 119.300 0.264 0.000 2.630 613 C HA 0.723 5.183 4.460 0.000 0.000 0.346 613 C C -0.682 174.382 174.990 0.122 0.000 1.245 613 C CA -0.633 58.550 59.018 0.275 0.000 1.804 613 C CB 1.725 29.563 27.740 0.164 0.000 2.279 613 C HN 0.689 nan 8.230 nan 0.000 0.498 614 L N 1.841 122.975 121.223 -0.149 0.000 2.349 614 L HA 0.608 4.948 4.340 0.000 0.000 0.278 614 L C -1.482 175.241 176.870 -0.245 0.000 0.996 614 L CA -0.032 54.608 54.840 -0.333 0.000 0.825 614 L CB 0.313 41.903 42.059 -0.782 0.000 1.243 614 L HN 0.641 nan 8.230 nan 0.000 0.412 615 Y N 3.609 123.673 120.300 -0.393 0.000 2.420 615 Y HA 0.834 5.384 4.550 0.000 0.000 0.334 615 Y C 0.209 175.944 175.900 -0.276 0.000 1.094 615 Y CA -0.224 57.640 58.100 -0.393 0.000 1.126 615 Y CB 2.272 40.260 38.460 -0.787 0.000 1.217 615 Y HN 0.777 nan 8.280 nan 0.000 0.462 616 A N 1.514 124.399 122.820 0.110 0.000 2.465 616 A HA 0.674 4.994 4.320 0.000 0.000 0.292 616 A C -1.106 176.564 177.584 0.144 0.000 1.041 616 A CA -0.706 51.373 52.037 0.070 0.000 0.718 616 A CB 0.908 19.975 19.000 0.112 0.000 1.266 616 A HN 0.589 nan 8.150 nan 0.000 0.403 617 T N 2.072 116.645 114.554 0.032 0.000 2.824 617 T HA 0.705 5.055 4.350 0.000 0.000 0.280 617 T C -0.980 173.736 174.700 0.026 0.000 0.995 617 T CA 0.109 62.297 62.100 0.147 0.000 1.009 617 T CB 0.336 69.302 68.868 0.163 0.000 0.955 617 T HN 0.333 nan 8.240 nan 0.000 0.452 618 F N 1.640 121.664 119.950 0.123 0.000 2.507 618 F HA 0.493 5.020 4.527 0.000 0.000 0.325 618 F C -0.112 175.783 175.800 0.159 0.000 1.116 618 F CA -1.834 56.252 58.000 0.144 0.000 0.930 618 F CB 1.026 40.103 39.000 0.128 0.000 1.146 618 F HN 0.522 nan 8.300 nan 0.000 0.447 619 F N 6.149 126.233 119.950 0.224 0.000 2.543 619 F HA 0.290 4.817 4.527 0.000 0.000 0.375 619 F C -1.660 174.247 175.800 0.179 0.000 1.075 619 F CA -2.118 55.977 58.000 0.158 0.000 1.225 619 F CB 0.740 39.806 39.000 0.111 0.000 1.099 619 F HN 0.216 nan 8.300 nan 0.000 0.561 620 P HA 0.001 nan 4.420 nan 0.000 0.228 620 P C -0.059 177.305 177.300 0.108 0.000 1.748 620 P CA 0.018 63.117 63.100 -0.002 0.000 0.909 620 P CB -0.301 31.328 31.700 -0.118 0.000 1.882 621 M N 1.151 121.005 119.600 0.423 0.000 2.250 621 M HA 0.190 4.670 4.480 0.000 0.000 0.337 621 M C 0.300 176.801 176.300 0.336 0.000 1.161 621 M CA -0.057 55.545 55.300 0.503 0.000 1.088 621 M CB 0.554 33.434 32.600 0.466 0.000 1.639 621 M HN 0.151 nan 8.290 nan 0.000 0.447 622 A N 4.286 127.268 122.820 0.270 0.000 2.540 622 A HA 0.009 4.329 4.320 0.000 0.000 0.239 622 A C 0.652 178.408 177.584 0.288 0.000 1.061 622 A CA 0.193 52.353 52.037 0.205 0.000 0.758 622 A CB -0.246 18.846 19.000 0.155 0.000 0.991 622 A HN 1.103 nan 8.150 nan 0.000 0.502 623 H N 2.003 121.123 119.070 0.082 0.000 2.352 623 H HA -0.185 4.371 4.556 0.000 0.000 0.299 623 H C 1.891 177.258 175.328 0.064 0.000 1.097 623 H CA 1.423 57.512 56.048 0.069 0.000 1.311 623 H CB 0.154 29.948 29.762 0.052 0.000 1.377 623 H HN 0.911 nan 8.280 nan 0.000 0.504 624 N N 0.858 119.672 118.700 0.190 0.000 2.084 624 N HA -0.125 4.615 4.740 0.000 0.000 0.190 624 N C 1.704 177.277 175.510 0.105 0.000 1.030 624 N CA 1.754 54.877 53.050 0.122 0.000 0.849 624 N CB -1.053 37.493 38.487 0.097 0.000 1.012 624 N HN 0.207 nan 8.380 nan 0.000 0.423 625 T N 1.424 116.049 114.554 0.118 0.000 2.674 625 T HA 0.003 4.353 4.350 0.000 0.000 0.265 625 T C 2.198 176.950 174.700 0.086 0.000 1.039 625 T CA 2.006 64.165 62.100 0.098 0.000 1.150 625 T CB -0.683 68.251 68.868 0.110 0.000 0.864 625 T HN 0.515 nan 8.240 nan 0.000 0.427 626 A N 1.533 124.420 122.820 0.112 0.000 1.892 626 A HA -0.171 4.149 4.320 0.000 0.000 0.218 626 A C 2.602 180.221 177.584 0.058 0.000 1.188 626 A CA 2.521 54.612 52.037 0.090 0.000 0.631 626 A CB -1.244 17.820 19.000 0.107 0.000 0.822 626 A HN 0.525 nan 8.150 nan 0.000 0.447 627 S N -1.230 114.504 115.700 0.056 0.000 2.370 627 S HA -0.168 4.302 4.470 0.000 0.000 0.226 627 S C 1.999 176.621 174.600 0.037 0.000 1.033 627 S CA 2.348 60.571 58.200 0.039 0.000 1.011 627 S CB -0.805 62.421 63.200 0.043 0.000 0.852 627 S HN 0.562 nan 8.310 nan 0.000 0.457 628 T N 2.331 116.911 114.554 0.043 0.000 2.777 628 T HA 0.021 4.371 4.350 0.000 0.000 0.266 628 T C 1.692 176.408 174.700 0.026 0.000 1.040 628 T CA 1.368 63.489 62.100 0.035 0.000 1.141 628 T CB -0.519 68.373 68.868 0.039 0.000 0.868 628 T HN 0.403 nan 8.240 nan 0.000 0.444 629 L N 1.327 122.566 121.223 0.027 0.000 2.083 629 L HA -0.013 4.327 4.340 0.000 0.000 0.209 629 L C 2.387 179.265 176.870 0.013 0.000 1.083 629 L CA 1.856 56.705 54.840 0.016 0.000 0.752 629 L CB -0.490 41.577 42.059 0.013 0.000 0.899 629 L HN 0.275 nan 8.230 nan 0.000 0.433 630 E N -0.277 119.936 120.200 0.020 0.000 2.031 630 E HA -0.270 4.080 4.350 0.000 0.000 0.193 630 E C 2.138 178.741 176.600 0.005 0.000 0.994 630 E CA 1.269 57.679 56.400 0.017 0.000 0.800 630 E CB -0.273 29.442 29.700 0.025 0.000 0.752 630 E HN 0.609 nan 8.360 nan 0.000 0.447 631 A N 1.093 123.918 122.820 0.009 0.000 1.903 631 A HA -0.260 4.060 4.320 0.000 0.000 0.219 631 A C 2.263 179.844 177.584 -0.004 0.000 1.191 631 A CA 2.251 54.290 52.037 0.003 0.000 0.638 631 A CB -0.663 18.344 19.000 0.012 0.000 0.823 631 A HN 0.360 nan 8.150 nan 0.000 0.451 632 M N -0.801 118.800 119.600 0.000 0.000 2.086 632 M HA -0.078 4.402 4.480 0.000 0.000 0.261 632 M C 1.936 178.231 176.300 -0.009 0.000 1.067 632 M CA 1.361 56.660 55.300 -0.002 0.000 1.116 632 M CB -0.469 32.131 32.600 0.000 0.000 1.348 632 M HN 0.340 nan 8.290 nan 0.000 0.407 633 L N -0.522 120.695 121.223 -0.011 0.000 2.549 633 L HA -0.122 4.218 4.340 0.000 0.000 0.229 633 L C 2.263 179.109 176.870 -0.039 0.000 1.158 633 L CA 0.572 55.401 54.840 -0.017 0.000 0.842 633 L CB -0.548 41.505 42.059 -0.011 0.000 0.952 633 L HN 0.284 nan 8.230 nan 0.000 0.452 634 R N -0.337 120.132 120.500 -0.052 0.000 2.276 634 R HA 0.068 4.408 4.340 0.000 0.000 0.196 634 R C 0.099 176.338 176.300 -0.101 0.000 0.961 634 R CA 0.029 56.064 56.100 -0.109 0.000 1.024 634 R CB -0.018 30.216 30.300 -0.111 0.000 0.940 634 R HN 0.378 nan 8.270 nan 0.000 0.480 635 N N 1.705 120.388 118.700 -0.028 0.000 2.499 635 N HA -0.022 4.718 4.740 0.000 0.000 0.281 635 N C 0.223 175.783 175.510 0.083 0.000 1.098 635 N CA 0.091 53.155 53.050 0.024 0.000 0.979 635 N CB 1.277 39.775 38.487 0.017 0.000 1.121 635 N HN 0.118 nan 8.380 nan 0.000 0.466 636 D N -0.448 120.054 120.400 0.170 0.000 2.182 636 D HA -0.212 4.428 4.640 0.000 0.000 0.201 636 D C 1.622 177.960 176.300 0.063 0.000 0.986 636 D CA 1.477 55.582 54.000 0.175 0.000 0.847 636 D CB -0.296 40.513 40.800 0.016 0.000 0.942 636 D HN 0.603 nan 8.370 nan 0.000 0.467 637 T N -1.212 113.361 114.554 0.032 0.000 2.897 637 T HA -0.155 4.195 4.350 0.000 0.000 0.271 637 T C 1.080 175.781 174.700 0.001 0.000 1.084 637 T CA 0.930 63.033 62.100 0.006 0.000 1.123 637 T CB -0.410 68.459 68.868 0.000 0.000 0.865 637 T HN 0.002 nan 8.240 nan 0.000 0.496 638 N N 1.852 120.559 118.700 0.011 0.000 2.320 638 N HA 0.201 4.941 4.740 0.000 0.000 0.237 638 N C -0.946 174.563 175.510 -0.001 0.000 1.129 638 N CA -0.208 52.840 53.050 -0.003 0.000 0.854 638 N CB 0.157 38.641 38.487 -0.006 0.000 1.083 638 N HN 0.480 nan 8.380 nan 0.000 0.504 639 D N 1.309 121.720 120.400 0.017 0.000 2.424 639 D HA 0.060 4.700 4.640 0.000 0.000 0.244 639 D C 0.658 176.930 176.300 -0.045 0.000 1.134 639 D CA 0.391 54.407 54.000 0.027 0.000 0.881 639 D CB 1.055 41.894 40.800 0.064 0.000 1.191 639 D HN 0.125 nan 8.370 nan 0.000 0.445 640 Q N 0.431 120.198 119.800 -0.055 0.000 2.368 640 Q HA 0.458 4.798 4.340 0.000 0.000 0.237 640 Q C -0.212 175.604 176.000 -0.306 0.000 0.987 640 Q CA -0.252 55.439 55.803 -0.186 0.000 0.896 640 Q CB 1.040 29.739 28.738 -0.065 0.000 1.241 640 Q HN 0.505 nan 8.270 nan 0.000 0.485 641 S N 0.518 115.801 115.700 -0.694 0.000 2.533 641 S HA 0.772 5.242 4.470 0.000 0.000 0.271 641 S C -1.375 172.673 174.600 -0.920 0.000 1.143 641 S CA -0.849 57.017 58.200 -0.557 0.000 0.891 641 S CB 0.848 63.906 63.200 -0.237 0.000 1.105 641 S HN 0.415 nan 8.310 nan 0.000 0.468 642 F N 1.416 121.400 119.950 0.057 0.000 2.626 642 F HA 0.648 5.175 4.527 0.000 0.000 0.311 642 F C -0.037 175.914 175.800 0.251 0.000 1.088 642 F CA -0.765 57.316 58.000 0.136 0.000 0.949 642 F CB 2.018 41.102 39.000 0.139 0.000 1.322 642 F HN 0.890 nan 8.300 nan 0.000 0.461 643 N N -0.221 118.703 118.700 0.374 0.000 2.229 643 N HA 0.289 5.029 4.740 0.000 0.000 0.298 643 N C -2.069 173.303 175.510 -0.231 0.000 1.114 643 N CA -0.632 52.449 53.050 0.051 0.000 0.776 643 N CB 2.569 41.066 38.487 0.016 0.000 1.501 643 N HN 0.651 nan 8.380 nan 0.000 0.474 644 D N 0.358 120.215 120.400 -0.905 0.000 2.389 644 D HA 0.006 4.646 4.640 0.000 0.000 0.247 644 D C 0.916 177.045 176.300 -0.286 0.000 1.128 644 D CA -0.194 53.352 54.000 -0.756 0.000 0.884 644 D CB 0.619 40.813 40.800 -1.010 0.000 1.194 644 D HN 0.512 nan 8.370 nan 0.000 0.441 645 Y N 3.555 123.738 120.300 -0.195 0.000 2.128 645 Y HA -0.174 4.376 4.550 0.000 0.000 0.284 645 Y C 1.697 177.498 175.900 -0.165 0.000 1.154 645 Y CA 1.429 59.445 58.100 -0.140 0.000 1.149 645 Y CB -0.193 38.212 38.460 -0.092 0.000 0.976 645 Y HN 0.529 nan 8.280 nan 0.000 0.505 646 L N 0.361 121.537 121.223 -0.079 0.000 2.046 646 L HA -0.102 4.238 4.340 0.000 0.000 0.208 646 L C 1.267 177.982 176.870 -0.258 0.000 1.077 646 L CA 1.856 56.610 54.840 -0.143 0.000 0.747 646 L CB -0.859 41.169 42.059 -0.053 0.000 0.896 646 L HN 0.222 nan 8.230 nan 0.000 0.432 647 S N -0.300 115.234 115.700 -0.277 0.000 3.436 647 S HA 0.013 4.483 4.470 0.000 0.000 0.393 647 S C -0.013 174.449 174.600 -0.229 0.000 0.914 647 S CA 0.472 58.492 58.200 -0.301 0.000 1.317 647 S CB -1.455 61.496 63.200 -0.414 0.000 0.920 647 S HN 0.949 nan 8.310 nan 0.000 0.564 648 A N 0.515 123.251 122.820 -0.140 0.000 2.608 648 A HA 0.844 5.164 4.320 0.000 0.000 0.292 648 A C -0.556 177.015 177.584 -0.021 0.000 1.066 648 A CA -0.056 51.930 52.037 -0.085 0.000 0.676 648 A CB 0.883 19.828 19.000 -0.091 0.000 1.277 648 A HN 1.546 nan 8.150 nan 0.000 0.413 649 A N 1.666 124.466 122.820 -0.034 0.000 2.260 649 A HA 0.618 4.938 4.320 0.000 0.000 0.308 649 A C -0.283 177.358 177.584 0.096 0.000 1.254 649 A CA -0.606 51.409 52.037 -0.037 0.000 0.874 649 A CB -0.053 18.753 19.000 -0.323 0.000 1.153 649 A HN 0.671 nan 8.150 nan 0.000 0.527 650 N N 3.543 122.350 118.700 0.177 0.000 2.426 650 N HA 0.489 5.229 4.740 0.000 0.000 0.275 650 N C -0.817 174.870 175.510 0.294 0.000 1.019 650 N CA -0.148 53.105 53.050 0.339 0.000 0.941 650 N CB 1.441 40.203 38.487 0.457 0.000 1.123 650 N HN 0.595 nan 8.380 nan 0.000 0.486 651 M N 2.327 122.149 119.600 0.369 0.000 2.530 651 M HA 0.513 4.993 4.480 0.000 0.000 0.307 651 M C -0.895 175.458 176.300 0.088 0.000 1.161 651 M CA -0.634 54.755 55.300 0.148 0.000 0.903 651 M CB 2.126 34.819 32.600 0.156 0.000 1.711 651 M HN 0.226 nan 8.290 nan 0.000 0.451 652 L N 2.797 123.866 121.223 -0.256 0.000 2.381 652 L HA 0.577 4.917 4.340 0.000 0.000 0.274 652 L C -1.671 174.945 176.870 -0.423 0.000 0.988 652 L CA -0.684 54.036 54.840 -0.201 0.000 0.824 652 L CB 1.577 43.517 42.059 -0.199 0.000 1.263 652 L HN 0.582 nan 8.230 nan 0.000 0.410 653 Y N 2.942 123.279 120.300 0.062 0.000 2.376 653 Y HA 0.470 5.020 4.550 0.000 0.000 0.340 653 Y C -2.260 173.646 175.900 0.011 0.000 0.965 653 Y CA -2.925 55.200 58.100 0.042 0.000 1.078 653 Y CB 1.471 39.963 38.460 0.053 0.000 1.193 653 Y HN 0.367 nan 8.280 nan 0.000 0.452 654 P HA 0.233 nan 4.420 nan 0.000 0.271 654 P C -0.528 176.810 177.300 0.063 0.000 1.216 654 P CA 0.112 63.254 63.100 0.069 0.000 0.776 654 P CB 1.103 32.828 31.700 0.042 0.000 0.881 655 I N 4.290 124.876 120.570 0.026 0.000 2.495 655 I HA 0.252 4.422 4.170 0.000 0.000 0.277 655 I C -2.242 173.872 176.117 -0.005 0.000 1.045 655 I CA -2.713 58.589 61.300 0.004 0.000 1.135 655 I CB 1.654 39.638 38.000 -0.026 0.000 1.241 655 I HN 0.077 nan 8.210 nan 0.000 0.469 656 P HA 0.013 nan 4.420 nan 0.000 0.267 656 P C 0.002 177.297 177.300 -0.008 0.000 1.200 656 P CA -0.193 62.905 63.100 -0.003 0.000 0.772 656 P CB 0.568 32.269 31.700 0.001 0.000 0.855 657 A N 2.876 125.691 122.820 -0.008 0.000 2.567 657 A HA -0.027 4.293 4.320 0.000 0.000 0.240 657 A C 0.933 178.515 177.584 -0.005 0.000 1.053 657 A CA 0.809 52.842 52.037 -0.007 0.000 0.755 657 A CB -1.490 17.508 19.000 -0.004 0.000 0.978 657 A HN 0.779 nan 8.150 nan 0.000 0.507 658 N N -0.889 117.807 118.700 -0.006 0.000 2.972 658 N HA -0.201 4.539 4.740 0.000 0.000 0.225 658 N C 0.347 175.853 175.510 -0.007 0.000 0.883 658 N CA 0.717 53.765 53.050 -0.003 0.000 1.010 658 N CB -1.666 36.824 38.487 0.004 0.000 1.052 658 N HN 1.263 nan 8.380 nan 0.000 0.598 659 A N -0.028 122.785 122.820 -0.011 0.000 2.466 659 A HA 0.440 4.760 4.320 0.000 0.000 0.238 659 A C 1.203 178.775 177.584 -0.020 0.000 1.074 659 A CA 1.237 53.267 52.037 -0.011 0.000 0.774 659 A CB 0.526 19.521 19.000 -0.008 0.000 1.015 659 A HN 0.231 nan 8.150 nan 0.000 0.498 660 T N 0.248 114.793 114.554 -0.015 0.000 2.993 660 T HA 0.159 4.509 4.350 0.000 0.000 0.260 660 T C 0.226 174.919 174.700 -0.011 0.000 0.939 660 T CA 0.057 62.145 62.100 -0.020 0.000 0.886 660 T CB -0.171 68.689 68.868 -0.013 0.000 1.209 660 T HN 0.644 nan 8.240 nan 0.000 0.518 661 N N 1.111 119.811 118.700 -0.000 0.000 2.372 661 N HA 0.530 5.270 4.740 0.000 0.000 0.291 661 N C -1.399 174.124 175.510 0.022 0.000 1.024 661 N CA -0.247 52.810 53.050 0.012 0.000 0.873 661 N CB 1.732 40.223 38.487 0.007 0.000 1.206 661 N HN -0.117 nan 8.380 nan 0.000 0.486 662 V N 4.642 124.586 119.914 0.051 0.000 2.385 662 V HA 0.479 4.599 4.120 0.000 0.000 0.277 662 V C -2.404 173.736 176.094 0.077 0.000 1.012 662 V CA -1.379 60.956 62.300 0.060 0.000 0.832 662 V CB 1.291 33.144 31.823 0.051 0.000 1.028 662 V HN 0.594 nan 8.190 nan 0.000 0.436 663 P HA 0.653 nan 4.420 nan 0.000 0.300 663 P C -0.794 176.485 177.300 -0.036 0.000 1.326 663 P CA -0.503 62.598 63.100 0.001 0.000 0.844 663 P CB 1.933 33.633 31.700 -0.001 0.000 0.992 664 I N -1.031 119.500 120.570 -0.065 0.000 2.608 664 I HA 0.740 4.910 4.170 0.000 0.000 0.295 664 I C -0.868 175.234 176.117 -0.025 0.000 1.049 664 I CA -0.672 60.548 61.300 -0.134 0.000 1.063 664 I CB 2.570 40.325 38.000 -0.407 0.000 1.248 664 I HN 0.043 nan 8.210 nan 0.000 0.424 665 S N 6.291 122.011 115.700 0.032 0.000 2.521 665 S HA 0.702 5.172 4.470 0.000 0.000 0.295 665 S C -0.666 174.012 174.600 0.129 0.000 1.098 665 S CA -0.674 57.570 58.200 0.073 0.000 0.999 665 S CB 1.372 64.609 63.200 0.061 0.000 1.034 665 S HN 0.508 nan 8.310 nan 0.000 0.483 666 I N 5.343 125.999 120.570 0.144 0.000 2.411 666 I HA 0.343 4.513 4.170 0.000 0.000 0.284 666 I C -2.387 173.809 176.117 0.132 0.000 1.012 666 I CA -2.491 58.905 61.300 0.160 0.000 1.119 666 I CB 1.488 39.634 38.000 0.244 0.000 1.261 666 I HN 0.356 nan 8.210 nan 0.000 0.448 667 P HA -0.028 nan 4.420 nan 0.000 0.266 667 P C 0.264 177.603 177.300 0.064 0.000 1.195 667 P CA 0.078 63.213 63.100 0.058 0.000 0.768 667 P CB 0.501 32.214 31.700 0.021 0.000 0.838 668 S N 3.238 118.995 115.700 0.094 0.000 2.810 668 S HA -0.022 4.448 4.470 0.000 0.000 0.329 668 S C 0.361 174.983 174.600 0.037 0.000 1.231 668 S CA 0.289 58.566 58.200 0.128 0.000 1.042 668 S CB -0.406 62.846 63.200 0.087 0.000 0.756 668 S HN 0.739 nan 8.310 nan 0.000 0.504 669 R N 3.207 123.738 120.500 0.053 0.000 2.829 669 R HA 0.433 4.773 4.340 0.000 0.000 0.267 669 R C -1.095 175.078 176.300 -0.210 0.000 1.051 669 R CA -1.118 54.860 56.100 -0.204 0.000 0.927 669 R CB 0.376 30.350 30.300 -0.544 0.000 1.292 669 R HN 0.579 nan 8.270 nan 0.000 0.445 670 N N -0.133 118.347 118.700 -0.366 0.000 2.499 670 N HA 0.111 4.851 4.740 0.000 0.000 0.281 670 N C -0.790 174.444 175.510 -0.460 0.000 1.098 670 N CA -0.234 52.690 53.050 -0.211 0.000 0.979 670 N CB 0.651 39.067 38.487 -0.117 0.000 1.121 670 N HN 0.595 nan 8.380 nan 0.000 0.466 671 W N 1.863 123.199 121.300 0.061 0.000 2.862 671 W HA 0.416 5.077 4.660 -0.000 0.000 0.376 671 W C 0.738 177.329 176.519 0.121 0.000 1.028 671 W CA -0.390 56.965 57.345 0.017 0.000 1.757 671 W CB -0.029 29.395 29.460 -0.061 0.000 1.128 671 W HN 0.509 nan 8.180 nan 0.000 0.566 672 A N 1.077 124.067 122.820 0.284 0.000 2.546 672 A HA 0.391 4.711 4.320 0.000 0.000 0.243 672 A C 1.505 179.232 177.584 0.239 0.000 1.063 672 A CA 1.238 53.426 52.037 0.252 0.000 0.757 672 A CB -0.095 19.004 19.000 0.165 0.000 0.991 672 A HN 1.163 nan 8.150 nan 0.000 0.503 673 A N 1.542 124.516 122.820 0.257 0.000 3.384 673 A HA -0.182 4.138 4.320 0.000 0.000 0.260 673 A C 0.383 178.207 177.584 0.400 0.000 1.168 673 A CA 0.757 52.962 52.037 0.280 0.000 1.253 673 A CB -2.607 16.494 19.000 0.168 0.000 1.122 673 A HN 2.015 nan 8.150 nan 0.000 0.934 674 F N 1.891 121.957 119.950 0.194 0.000 2.623 674 F HA 0.325 4.852 4.527 0.000 0.000 0.383 674 F C 1.421 177.262 175.800 0.068 0.000 1.077 674 F CA 0.740 58.787 58.000 0.078 0.000 1.268 674 F CB 0.432 39.378 39.000 -0.089 0.000 1.053 674 F HN 0.281 nan 8.300 nan 0.000 0.571 675 R N 3.321 123.381 120.500 -0.734 0.000 2.195 675 R HA 0.416 4.756 4.340 0.000 0.000 0.197 675 R C 0.772 176.564 176.300 -0.847 0.000 0.990 675 R CA 0.388 56.130 56.100 -0.596 0.000 1.048 675 R CB 0.070 30.096 30.300 -0.455 0.000 0.997 675 R HN 0.869 nan 8.270 nan 0.000 0.502 676 G N -0.151 107.638 108.800 -1.685 0.000 2.362 676 G HA2 0.032 3.992 3.960 0.000 0.000 0.288 676 G HA3 0.032 3.992 3.960 0.000 0.000 0.288 676 G C -1.848 172.528 174.900 -0.873 0.000 1.305 676 G CA -0.957 43.423 45.100 -1.201 0.000 0.910 676 G HN 0.033 nan 8.290 nan 0.000 0.518 677 W N -0.107 121.098 121.300 -0.159 0.000 2.706 677 W HA 0.748 5.408 4.660 0.000 0.000 0.346 677 W C 0.125 176.597 176.519 -0.080 0.000 1.071 677 W CA -0.312 56.976 57.345 -0.095 0.000 1.206 677 W CB 2.446 31.894 29.460 -0.021 0.000 1.413 677 W HN 1.239 nan 8.180 nan 0.000 0.542 678 A N 2.928 125.827 122.820 0.131 0.000 2.455 678 A HA 0.919 5.239 4.320 0.000 0.000 0.300 678 A C -1.615 175.947 177.584 -0.036 0.000 1.040 678 A CA -0.535 51.472 52.037 -0.051 0.000 0.697 678 A CB 1.477 20.357 19.000 -0.202 0.000 1.265 678 A HN 0.646 nan 8.150 nan 0.000 0.407 679 F N -0.601 119.206 119.950 -0.238 0.000 2.693 679 F HA 0.888 5.415 4.527 0.000 0.000 0.309 679 F C -0.244 175.318 175.800 -0.396 0.000 1.129 679 F CA -0.388 57.406 58.000 -0.343 0.000 0.948 679 F CB 1.192 40.046 39.000 -0.244 0.000 1.315 679 F HN 0.678 nan 8.300 nan 0.000 0.447 680 T N -0.458 114.017 114.554 -0.131 0.000 2.618 680 T HA 0.634 4.984 4.350 0.000 0.000 0.293 680 T C -1.682 173.261 174.700 0.404 0.000 1.093 680 T CA -1.192 60.886 62.100 -0.037 0.000 1.061 680 T CB 1.990 70.604 68.868 -0.424 0.000 1.498 680 T HN 0.962 nan 8.240 nan 0.000 0.494 681 R N 0.248 120.938 120.500 0.316 0.000 2.533 681 R HA 0.680 5.020 4.340 0.000 0.000 0.288 681 R C -1.911 174.443 176.300 0.090 0.000 1.039 681 R CA -0.647 55.574 56.100 0.201 0.000 0.909 681 R CB 0.955 31.278 30.300 0.038 0.000 1.195 681 R HN 0.639 nan 8.270 nan 0.000 0.438 682 L N 2.252 123.534 121.223 0.098 0.000 2.301 682 L HA 0.612 4.952 4.340 0.000 0.000 0.264 682 L C -0.342 176.538 176.870 0.016 0.000 1.016 682 L CA -1.174 53.710 54.840 0.073 0.000 0.821 682 L CB 1.881 44.029 42.059 0.148 0.000 1.346 682 L HN 0.410 nan 8.230 nan 0.000 0.429 683 K N -0.130 120.280 120.400 0.016 0.000 2.201 683 K HA 0.280 4.600 4.320 0.000 0.000 0.278 683 K C 0.542 177.133 176.600 -0.014 0.000 1.027 683 K CA -0.370 55.917 56.287 0.002 0.000 0.909 683 K CB 1.579 34.093 32.500 0.023 0.000 1.062 683 K HN 0.586 nan 8.250 nan 0.000 0.465 684 T N 2.067 116.610 114.554 -0.019 0.000 2.759 684 T HA -0.226 4.124 4.350 0.000 0.000 0.269 684 T C 2.302 176.992 174.700 -0.016 0.000 1.042 684 T CA 2.107 64.194 62.100 -0.022 0.000 1.140 684 T CB -0.133 68.723 68.868 -0.020 0.000 0.864 684 T HN 0.751 nan 8.240 nan 0.000 0.455 685 K N 1.618 121.990 120.400 -0.047 0.000 2.147 685 K HA -0.102 4.218 4.320 0.000 0.000 0.205 685 K C 1.747 178.217 176.600 -0.216 0.000 1.049 685 K CA 1.564 57.797 56.287 -0.090 0.000 0.936 685 K CB -0.760 31.668 32.500 -0.121 0.000 0.722 685 K HN 0.670 nan 8.250 nan 0.000 0.446 686 E N 0.225 120.262 120.200 -0.272 0.000 2.437 686 E HA 0.064 4.414 4.350 0.000 0.000 0.189 686 E C -0.469 176.177 176.600 0.077 0.000 1.054 686 E CA 0.019 56.197 56.400 -0.370 0.000 0.874 686 E CB 0.582 30.093 29.700 -0.315 0.000 1.011 686 E HN 0.363 nan 8.360 nan 0.000 0.474 687 T N 3.463 118.066 114.554 0.082 0.000 2.977 687 T HA 0.227 4.577 4.350 0.000 0.000 0.346 687 T C -2.484 172.129 174.700 -0.146 0.000 1.140 687 T CA -1.691 60.398 62.100 -0.019 0.000 1.040 687 T CB 1.073 69.876 68.868 -0.109 0.000 1.046 687 T HN -0.038 nan 8.240 nan 0.000 0.494 688 P HA 0.110 nan 4.420 nan 0.000 0.268 688 P C -0.008 177.029 177.300 -0.438 0.000 1.208 688 P CA -0.254 62.303 63.100 -0.906 0.000 0.777 688 P CB 0.561 31.489 31.700 -1.286 0.000 0.875 689 S N 1.474 116.974 115.700 -0.333 0.000 2.499 689 S HA 0.215 4.685 4.470 0.000 0.000 0.275 689 S C 0.938 175.421 174.600 -0.195 0.000 1.257 689 S CA -0.639 57.432 58.200 -0.214 0.000 1.050 689 S CB -0.616 62.509 63.200 -0.125 0.000 0.937 689 S HN 0.344 nan 8.310 nan 0.000 0.490 690 L N 4.420 125.545 121.223 -0.164 0.000 2.640 690 L HA 0.296 4.636 4.340 0.000 0.000 0.230 690 L C 2.056 178.908 176.870 -0.030 0.000 1.123 690 L CA 0.077 54.869 54.840 -0.081 0.000 0.900 690 L CB -0.206 41.827 42.059 -0.043 0.000 1.146 690 L HN 0.849 nan 8.230 nan 0.000 0.484 691 G N 0.526 109.295 108.800 -0.051 0.000 3.340 691 G HA2 0.147 4.107 3.960 0.000 0.000 0.240 691 G HA3 0.147 4.107 3.960 0.000 0.000 0.240 691 G C 0.203 175.092 174.900 -0.018 0.000 1.327 691 G CA 0.625 45.708 45.100 -0.027 0.000 1.170 691 G HN 0.387 nan 8.290 nan 0.000 0.520 692 S N -3.549 112.147 115.700 -0.007 0.000 2.683 692 S HA 0.405 4.875 4.470 0.000 0.000 0.278 692 S C 0.864 175.490 174.600 0.042 0.000 1.059 692 S CA 0.106 58.305 58.200 -0.001 0.000 0.847 692 S CB 0.759 63.941 63.200 -0.031 0.000 1.078 692 S HN 0.509 nan 8.310 nan 0.000 0.456 693 G N -0.240 108.594 108.800 0.056 0.000 2.509 693 G HA2 0.182 4.142 3.960 0.000 0.000 0.218 693 G HA3 0.182 4.142 3.960 0.000 0.000 0.218 693 G C -0.043 174.846 174.900 -0.018 0.000 1.124 693 G CA 1.099 46.308 45.100 0.182 0.000 0.776 693 G HN 1.027 nan 8.290 nan 0.000 0.547 694 Y N -0.430 119.636 120.300 -0.389 0.000 2.442 694 Y HA 0.432 4.982 4.550 0.000 0.000 0.330 694 Y C -2.064 173.679 175.900 -0.262 0.000 1.100 694 Y CA -1.586 56.248 58.100 -0.442 0.000 1.034 694 Y CB 2.116 40.034 38.460 -0.904 0.000 1.285 694 Y HN -0.070 nan 8.280 nan 0.000 0.440 695 D N 8.015 127.982 120.400 -0.721 0.000 2.473 695 D HA 0.347 4.987 4.640 0.000 0.000 0.226 695 D C -1.953 173.978 176.300 -0.616 0.000 1.089 695 D CA -2.507 51.193 54.000 -0.500 0.000 0.883 695 D CB 1.792 42.403 40.800 -0.316 0.000 1.029 695 D HN 0.323 nan 8.370 nan 0.000 0.517 696 P HA -0.139 nan 4.420 nan 0.000 0.219 696 P C 0.497 177.592 177.300 -0.341 0.000 1.146 696 P CA 1.002 63.868 63.100 -0.390 0.000 0.808 696 P CB -0.015 31.365 31.700 -0.533 0.000 0.779 697 Y N -3.164 117.131 120.300 -0.010 0.000 2.470 697 Y HA 0.185 4.735 4.550 0.000 0.000 0.284 697 Y C 0.763 176.709 175.900 0.077 0.000 1.188 697 Y CA -0.981 57.134 58.100 0.025 0.000 1.269 697 Y CB -1.177 37.294 38.460 0.018 0.000 1.094 697 Y HN -0.102 nan 8.280 nan 0.000 0.518 698 Y N 2.446 122.735 120.300 -0.019 0.000 2.595 698 Y HA 0.282 4.832 4.550 0.000 0.000 0.347 698 Y C 0.621 176.538 175.900 0.028 0.000 1.025 698 Y CA -1.382 56.715 58.100 -0.004 0.000 1.295 698 Y CB 0.242 38.656 38.460 -0.077 0.000 1.147 698 Y HN 0.110 nan 8.280 nan 0.000 0.515 699 T N 3.128 117.595 114.554 -0.144 0.000 3.350 699 T HA 0.302 4.652 4.350 0.000 0.000 0.246 699 T C -1.081 173.531 174.700 -0.147 0.000 1.284 699 T CA -0.490 61.532 62.100 -0.130 0.000 1.329 699 T CB -0.780 68.073 68.868 -0.024 0.000 1.033 699 T HN 0.489 nan 8.240 nan 0.000 0.632 700 Y N 0.864 120.815 120.300 -0.582 0.000 2.519 700 Y HA 0.548 5.098 4.550 0.000 0.000 0.336 700 Y C -0.123 175.531 175.900 -0.410 0.000 1.089 700 Y CA -0.794 57.043 58.100 -0.439 0.000 1.025 700 Y CB 2.044 40.254 38.460 -0.416 0.000 1.318 700 Y HN 0.226 nan 8.280 nan 0.000 0.452 701 S N 1.874 117.043 115.700 -0.886 0.000 2.952 701 S HA 0.472 4.942 4.470 0.000 0.000 0.251 701 S C 0.397 174.605 174.600 -0.652 0.000 1.021 701 S CA -0.024 57.825 58.200 -0.586 0.000 1.067 701 S CB 0.085 63.118 63.200 -0.277 0.000 1.002 701 S HN 0.994 nan 8.310 nan 0.000 0.574 702 G N 2.055 110.024 108.800 -1.386 0.000 2.509 702 G HA2 0.481 4.441 3.960 0.000 0.000 0.269 702 G HA3 0.481 4.441 3.960 0.000 0.000 0.269 702 G C 0.073 174.965 174.900 -0.014 0.000 1.416 702 G CA -0.145 44.639 45.100 -0.526 0.000 1.052 702 G HN 0.697 nan 8.290 nan 0.000 0.542 703 S N -1.308 114.534 115.700 0.237 0.000 2.568 703 S HA 0.279 4.749 4.470 0.000 0.000 0.282 703 S C -0.023 174.800 174.600 0.371 0.000 1.338 703 S CA -0.275 58.073 58.200 0.247 0.000 1.045 703 S CB 0.378 63.704 63.200 0.209 0.000 0.873 703 S HN 0.372 nan 8.310 nan 0.000 0.516 704 I N 4.312 125.034 120.570 0.253 0.000 2.503 704 I HA 0.291 4.461 4.170 0.000 0.000 0.277 704 I C -1.842 174.362 176.117 0.145 0.000 1.078 704 I CA -2.356 59.108 61.300 0.272 0.000 1.184 704 I CB 1.494 39.658 38.000 0.275 0.000 1.353 704 I HN 0.471 nan 8.210 nan 0.000 0.490 705 P HA -0.283 nan 4.420 nan 0.000 0.218 705 P C 1.565 178.870 177.300 0.008 0.000 1.154 705 P CA 1.634 64.706 63.100 -0.047 0.000 0.872 705 P CB 0.024 31.838 31.700 0.189 0.000 0.790 706 Y N 0.007 120.380 120.300 0.123 0.000 2.256 706 Y HA -0.171 4.379 4.550 0.000 0.000 0.288 706 Y C 1.967 177.916 175.900 0.081 0.000 1.155 706 Y CA 1.557 59.727 58.100 0.117 0.000 1.203 706 Y CB -0.668 37.745 38.460 -0.080 0.000 0.980 706 Y HN -0.146 nan 8.280 nan 0.000 0.530 707 L N -0.826 120.430 121.223 0.055 0.000 2.388 707 L HA 0.067 4.407 4.340 0.000 0.000 0.209 707 L C 1.648 178.474 176.870 -0.072 0.000 1.061 707 L CA 0.845 55.677 54.840 -0.012 0.000 0.834 707 L CB -0.221 41.907 42.059 0.114 0.000 1.029 707 L HN 0.171 nan 8.230 nan 0.000 0.473 708 D N -0.878 119.453 120.400 -0.116 0.000 2.366 708 D HA 0.084 4.724 4.640 0.000 0.000 0.205 708 D C 1.472 177.561 176.300 -0.351 0.000 1.022 708 D CA 0.817 54.713 54.000 -0.172 0.000 0.868 708 D CB 0.329 41.064 40.800 -0.109 0.000 0.953 708 D HN 0.163 nan 8.370 nan 0.000 0.514 709 G N 0.228 108.643 108.800 -0.641 0.000 2.141 709 G HA2 -0.261 3.699 3.960 0.000 0.000 0.231 709 G HA3 -0.261 3.699 3.960 0.000 0.000 0.231 709 G C 0.672 175.059 174.900 -0.854 0.000 0.984 709 G CA 0.455 44.944 45.100 -1.019 0.000 0.660 709 G HN 0.680 nan 8.290 nan 0.000 0.525 710 T N -0.355 113.760 114.554 -0.732 0.000 3.624 710 T HA 0.541 4.891 4.350 0.000 0.000 0.231 710 T C 0.600 175.292 174.700 -0.012 0.000 0.865 710 T CA -0.537 61.165 62.100 -0.662 0.000 0.926 710 T CB -0.656 67.593 68.868 -1.031 0.000 1.189 710 T HN 0.284 nan 8.240 nan 0.000 0.640 711 F N 2.833 122.935 119.950 0.253 0.000 2.572 711 F HA 0.279 4.806 4.527 0.000 0.000 0.370 711 F C 1.016 177.103 175.800 0.479 0.000 1.103 711 F CA -1.063 57.106 58.000 0.283 0.000 1.286 711 F CB 0.014 39.086 39.000 0.120 0.000 1.105 711 F HN 0.513 nan 8.300 nan 0.000 0.583 712 Y N -0.490 120.093 120.300 0.472 0.000 2.890 712 Y HA 0.500 5.050 4.550 0.000 0.000 0.266 712 Y C -0.326 175.767 175.900 0.322 0.000 1.090 712 Y CA -0.419 57.913 58.100 0.387 0.000 1.258 712 Y CB -0.770 37.904 38.460 0.358 0.000 1.346 712 Y HN 0.383 nan 8.280 nan 0.000 0.578 713 L N 0.859 122.031 121.223 -0.084 0.000 3.066 713 L HA 0.334 4.674 4.340 0.000 0.000 0.265 713 L C 0.915 177.684 176.870 -0.168 0.000 1.232 713 L CA -0.099 54.594 54.840 -0.245 0.000 1.031 713 L CB 0.114 41.968 42.059 -0.342 0.000 1.379 713 L HN 0.173 nan 8.230 nan 0.000 0.563 714 N N 0.591 119.326 118.700 0.058 0.000 2.364 714 N HA -0.157 4.583 4.740 0.000 0.000 0.183 714 N C 1.662 177.540 175.510 0.614 0.000 1.022 714 N CA 1.043 54.246 53.050 0.255 0.000 0.883 714 N CB -0.098 38.193 38.487 -0.328 0.000 0.965 714 N HN 0.591 nan 8.380 nan 0.000 0.438 715 H N -0.688 118.592 119.070 0.350 0.000 2.556 715 H HA 0.105 4.661 4.556 0.000 0.000 0.268 715 H C 1.080 176.448 175.328 0.067 0.000 0.996 715 H CA 1.171 57.267 56.048 0.079 0.000 1.157 715 H CB -0.485 29.105 29.762 -0.288 0.000 1.355 715 H HN 0.130 nan 8.280 nan 0.000 0.597 716 T N -2.399 112.036 114.554 -0.199 0.000 3.107 716 T HA 0.114 4.464 4.350 0.000 0.000 0.249 716 T C 0.252 174.872 174.700 -0.133 0.000 1.096 716 T CA -0.520 61.465 62.100 -0.192 0.000 1.012 716 T CB -0.658 68.003 68.868 -0.346 0.000 0.977 716 T HN 0.023 nan 8.240 nan 0.000 0.527 717 F N 1.583 121.608 119.950 0.125 0.000 2.412 717 F HA 0.520 5.047 4.527 0.000 0.000 0.348 717 F C 1.500 177.305 175.800 0.008 0.000 1.102 717 F CA -0.720 57.352 58.000 0.120 0.000 1.196 717 F CB 1.505 40.654 39.000 0.247 0.000 1.144 717 F HN -0.122 nan 8.300 nan 0.000 0.541 718 K N 1.569 122.047 120.400 0.130 0.000 2.225 718 K HA 0.161 4.481 4.320 0.000 0.000 0.204 718 K C -0.388 176.190 176.600 -0.037 0.000 1.047 718 K CA 0.495 56.803 56.287 0.035 0.000 0.970 718 K CB 0.476 32.988 32.500 0.019 0.000 0.939 718 K HN 0.643 nan 8.250 nan 0.000 0.472 719 K N -1.098 119.288 120.400 -0.024 0.000 2.615 719 K HA 0.463 4.783 4.320 0.000 0.000 0.291 719 K C -1.494 175.017 176.600 -0.149 0.000 1.017 719 K CA -1.095 55.129 56.287 -0.105 0.000 0.882 719 K CB 2.151 34.607 32.500 -0.074 0.000 1.522 719 K HN -0.208 nan 8.250 nan 0.000 0.412 720 V N -0.211 119.578 119.914 -0.209 0.000 2.733 720 V HA 0.775 4.895 4.120 0.000 0.000 0.306 720 V C -1.147 174.819 176.094 -0.214 0.000 1.084 720 V CA -0.748 61.301 62.300 -0.418 0.000 0.905 720 V CB 1.536 32.975 31.823 -0.639 0.000 1.010 720 V HN 0.973 nan 8.190 nan 0.000 0.424 721 A N 5.611 128.245 122.820 -0.310 0.000 2.304 721 A HA 0.924 5.244 4.320 0.000 0.000 0.314 721 A C -0.848 176.599 177.584 -0.228 0.000 1.187 721 A CA -0.436 51.501 52.037 -0.167 0.000 0.810 721 A CB 0.696 19.617 19.000 -0.131 0.000 1.183 721 A HN 0.798 nan 8.150 nan 0.000 0.487 722 I N 2.294 122.803 120.570 -0.102 0.000 2.404 722 I HA 0.487 4.657 4.170 0.000 0.000 0.293 722 I C -0.365 175.729 176.117 -0.038 0.000 0.992 722 I CA -0.101 61.098 61.300 -0.169 0.000 1.149 722 I CB 2.378 40.255 38.000 -0.206 0.000 1.315 722 I HN 0.624 nan 8.210 nan 0.000 0.446 723 T N 4.809 119.275 114.554 -0.147 0.000 2.928 723 T HA 0.520 4.870 4.350 0.000 0.000 0.296 723 T C -0.671 173.948 174.700 -0.136 0.000 1.000 723 T CA -0.572 61.506 62.100 -0.038 0.000 0.989 723 T CB 1.050 69.914 68.868 -0.008 0.000 1.005 723 T HN 0.036 nan 8.240 nan 0.000 0.442 724 F N 1.999 122.003 119.950 0.089 0.000 2.399 724 F HA 0.354 4.881 4.527 0.000 0.000 0.334 724 F C 0.860 176.727 175.800 0.112 0.000 1.097 724 F CA -0.494 57.551 58.000 0.075 0.000 1.076 724 F CB 0.862 39.917 39.000 0.092 0.000 1.162 724 F HN 0.611 nan 8.300 nan 0.000 0.495 725 D N 2.518 123.114 120.400 0.328 0.000 2.701 725 D HA -0.289 4.351 4.640 0.000 0.000 0.235 725 D C 1.266 177.653 176.300 0.144 0.000 1.155 725 D CA 1.340 55.477 54.000 0.228 0.000 0.649 725 D CB -1.278 39.669 40.800 0.244 0.000 1.050 725 D HN 0.991 nan 8.370 nan 0.000 0.425 726 S N -2.287 113.478 115.700 0.108 0.000 3.017 726 S HA -0.376 4.094 4.470 0.000 0.000 0.283 726 S C 1.538 176.181 174.600 0.072 0.000 1.304 726 S CA 2.949 61.193 58.200 0.072 0.000 1.224 726 S CB -1.692 61.544 63.200 0.061 0.000 1.480 726 S HN 1.045 nan 8.310 nan 0.000 0.698 727 S N -2.400 113.359 115.700 0.099 0.000 2.918 727 S HA 0.495 4.965 4.470 0.000 0.000 0.264 727 S C 0.214 174.878 174.600 0.106 0.000 1.078 727 S CA 0.583 58.835 58.200 0.086 0.000 0.918 727 S CB 0.076 63.321 63.200 0.076 0.000 0.882 727 S HN 1.027 nan 8.310 nan 0.000 0.466 728 V N 3.286 123.294 119.914 0.157 0.000 2.455 728 V HA 0.505 4.625 4.120 0.000 0.000 0.273 728 V C 0.270 176.509 176.094 0.241 0.000 1.045 728 V CA -0.284 62.133 62.300 0.194 0.000 0.976 728 V CB 1.007 32.969 31.823 0.232 0.000 0.993 728 V HN 0.464 nan 8.190 nan 0.000 0.475 729 S N 5.141 120.954 115.700 0.187 0.000 2.465 729 S HA 0.386 4.856 4.470 0.000 0.000 0.279 729 S C -0.825 173.943 174.600 0.280 0.000 1.201 729 S CA -0.556 57.758 58.200 0.189 0.000 1.053 729 S CB 0.135 63.385 63.200 0.084 0.000 0.953 729 S HN 0.667 nan 8.310 nan 0.000 0.488 730 W N 7.481 128.910 121.300 0.215 0.000 2.478 730 W HA 0.491 5.151 4.660 -0.000 0.000 0.318 730 W C -2.035 174.652 176.519 0.280 0.000 1.062 730 W CA -2.196 55.338 57.345 0.315 0.000 1.210 730 W CB 1.515 31.316 29.460 0.568 0.000 1.325 730 W HN 0.515 nan 8.180 nan 0.000 0.496 731 P HA 0.137 nan 4.420 nan 0.000 0.251 731 P C 0.973 178.021 177.300 -0.420 0.000 1.223 731 P CA 1.058 63.480 63.100 -1.130 0.000 0.796 731 P CB 0.314 31.280 31.700 -1.224 0.000 1.068 732 G N 1.652 110.330 108.800 -0.204 0.000 2.594 732 G HA2 -0.389 3.571 3.960 0.000 0.000 0.297 732 G HA3 -0.389 3.571 3.960 0.000 0.000 0.297 732 G C 0.484 175.298 174.900 -0.144 0.000 1.273 732 G CA 0.477 45.509 45.100 -0.112 0.000 0.974 732 G HN 0.283 nan 8.290 nan 0.000 0.552 733 N N -0.064 118.579 118.700 -0.094 0.000 2.732 733 N HA -0.199 4.541 4.740 0.000 0.000 0.250 733 N C 0.732 176.189 175.510 -0.088 0.000 1.097 733 N CA 2.478 55.472 53.050 -0.092 0.000 0.812 733 N CB -0.757 37.660 38.487 -0.117 0.000 1.148 733 N HN 1.357 nan 8.380 nan 0.000 0.572 734 D N -1.820 118.529 120.400 -0.085 0.000 2.945 734 D HA -0.205 4.435 4.640 0.000 0.000 0.225 734 D C 1.229 177.481 176.300 -0.080 0.000 1.158 734 D CA 1.158 55.114 54.000 -0.073 0.000 0.805 734 D CB -0.387 40.382 40.800 -0.051 0.000 1.098 734 D HN 0.444 nan 8.370 nan 0.000 0.426 735 R N -0.361 120.077 120.500 -0.104 0.000 2.062 735 R HA 0.013 4.353 4.340 0.000 0.000 0.231 735 R C 1.300 177.563 176.300 -0.062 0.000 1.136 735 R CA 0.749 56.801 56.100 -0.080 0.000 0.948 735 R CB -0.264 29.977 30.300 -0.098 0.000 0.845 735 R HN 0.308 nan 8.270 nan 0.000 0.430 736 L N 1.127 122.280 121.223 -0.117 0.000 2.421 736 L HA 0.146 4.486 4.340 0.000 0.000 0.263 736 L C 1.994 178.779 176.870 -0.142 0.000 1.122 736 L CA -0.442 54.313 54.840 -0.141 0.000 0.804 736 L CB 0.485 42.395 42.059 -0.249 0.000 1.150 736 L HN 0.009 nan 8.230 nan 0.000 0.457 737 L N 0.549 121.660 121.223 -0.187 0.000 2.127 737 L HA -0.137 4.203 4.340 0.000 0.000 0.211 737 L C 1.259 178.051 176.870 -0.130 0.000 1.089 737 L CA 1.533 56.218 54.840 -0.257 0.000 0.757 737 L CB -0.484 41.193 42.059 -0.636 0.000 0.899 737 L HN 0.844 nan 8.230 nan 0.000 0.434 738 T N -4.430 110.056 114.554 -0.114 0.000 3.466 738 T HA 0.281 4.631 4.350 0.000 0.000 0.297 738 T C -1.630 173.002 174.700 -0.115 0.000 1.640 738 T CA -1.770 60.301 62.100 -0.049 0.000 1.631 738 T CB 0.662 69.534 68.868 0.007 0.000 0.928 738 T HN -0.099 nan 8.240 nan 0.000 0.688 739 P HA -0.197 nan 4.420 nan 0.000 0.219 739 P C 1.080 178.291 177.300 -0.150 0.000 1.151 739 P CA 1.305 64.320 63.100 -0.142 0.000 0.850 739 P CB 0.065 31.711 31.700 -0.090 0.000 0.784 740 N N -0.021 118.617 118.700 -0.103 0.000 2.515 740 N HA -0.036 4.704 4.740 0.000 0.000 0.185 740 N C 0.597 176.049 175.510 -0.097 0.000 1.109 740 N CA 0.672 53.674 53.050 -0.080 0.000 0.903 740 N CB 0.127 38.589 38.487 -0.042 0.000 0.969 740 N HN 0.547 nan 8.380 nan 0.000 0.450 741 E N -1.602 118.502 120.200 -0.160 0.000 2.417 741 E HA 0.240 4.590 4.350 0.000 0.000 0.280 741 E C -1.524 174.932 176.600 -0.240 0.000 1.112 741 E CA -0.785 55.531 56.400 -0.142 0.000 0.863 741 E CB 0.249 29.906 29.700 -0.072 0.000 1.346 741 E HN -0.225 nan 8.360 nan 0.000 0.443 742 F N 1.207 121.111 119.950 -0.076 0.000 2.375 742 F HA 0.279 4.806 4.527 0.000 0.000 0.362 742 F C 0.241 175.949 175.800 -0.152 0.000 1.129 742 F CA -0.276 57.694 58.000 -0.049 0.000 1.154 742 F CB 1.179 40.196 39.000 0.029 0.000 1.205 742 F HN 0.280 nan 8.300 nan 0.000 0.513 743 E N 4.092 124.298 120.200 0.010 0.000 2.089 743 E HA 0.203 4.553 4.350 0.000 0.000 0.284 743 E C 0.750 177.250 176.600 -0.167 0.000 1.023 743 E CA -0.145 56.218 56.400 -0.062 0.000 0.819 743 E CB 1.051 30.750 29.700 -0.002 0.000 1.076 743 E HN 0.665 nan 8.360 nan 0.000 0.396 744 I N 3.545 123.867 120.570 -0.413 0.000 2.353 744 I HA -0.176 3.994 4.170 0.000 0.000 0.248 744 I C 0.609 176.590 176.117 -0.227 0.000 1.119 744 I CA 1.243 62.078 61.300 -0.774 0.000 1.417 744 I CB 0.039 37.386 38.000 -1.088 0.000 1.078 744 I HN 0.389 nan 8.210 nan 0.000 0.421 745 K N -0.180 120.204 120.400 -0.027 0.000 2.568 745 K HA 0.700 5.020 4.320 0.000 0.000 0.273 745 K C -0.970 175.694 176.600 0.106 0.000 0.951 745 K CA -0.927 55.441 56.287 0.135 0.000 0.854 745 K CB 1.776 34.456 32.500 0.300 0.000 1.424 745 K HN -0.204 nan 8.250 nan 0.000 0.427 746 R N 0.465 121.043 120.500 0.131 0.000 2.740 746 R HA 0.563 4.903 4.340 0.000 0.000 0.282 746 R C -0.842 175.518 176.300 0.099 0.000 0.969 746 R CA -0.590 55.571 56.100 0.102 0.000 0.918 746 R CB 2.123 32.487 30.300 0.106 0.000 1.175 746 R HN 0.896 nan 8.270 nan 0.000 0.464 747 S N 1.801 117.544 115.700 0.071 0.000 2.461 747 S HA 0.408 4.878 4.470 0.000 0.000 0.322 747 S C 1.164 175.791 174.600 0.046 0.000 1.063 747 S CA -0.593 57.645 58.200 0.063 0.000 1.120 747 S CB 0.361 63.592 63.200 0.052 0.000 0.968 747 S HN 0.547 nan 8.310 nan 0.000 0.467 748 V N 1.323 121.266 119.914 0.049 0.000 0.564 748 V HA -0.522 3.598 4.120 0.000 0.000 0.092 748 V C 2.370 178.473 176.094 0.015 0.000 1.994 748 V CA 3.186 65.505 62.300 0.032 0.000 3.465 748 V CB -2.146 29.691 31.823 0.023 0.000 0.759 748 V HN 0.915 nan 8.190 nan 0.000 0.788 749 D N 0.372 120.778 120.400 0.008 0.000 2.228 749 D HA 0.111 4.751 4.640 0.000 0.000 0.203 749 D C 1.784 178.068 176.300 -0.027 0.000 0.988 749 D CA 2.066 56.060 54.000 -0.009 0.000 0.864 749 D CB -0.577 40.218 40.800 -0.008 0.000 0.928 749 D HN 1.227 nan 8.370 nan 0.000 0.469 750 G N -1.205 107.589 108.800 -0.010 0.000 3.690 750 G HA2 0.263 4.223 3.960 0.000 0.000 0.283 750 G HA3 0.263 4.223 3.960 0.000 0.000 0.283 750 G C 1.038 175.939 174.900 0.003 0.000 1.057 750 G CA 0.477 45.558 45.100 -0.032 0.000 0.821 750 G HN 0.188 nan 8.290 nan 0.000 0.526 751 E N 1.655 121.863 120.200 0.015 0.000 2.132 751 E HA -0.227 4.123 4.350 0.000 0.000 0.218 751 E C 2.639 179.273 176.600 0.056 0.000 1.058 751 E CA 1.749 58.174 56.400 0.040 0.000 0.882 751 E CB -0.851 28.866 29.700 0.027 0.000 0.774 751 E HN 0.347 nan 8.360 nan 0.000 0.467 752 G N -0.442 108.367 108.800 0.013 0.000 2.550 752 G HA2 -0.276 3.684 3.960 0.000 0.000 0.222 752 G HA3 -0.276 3.684 3.960 0.000 0.000 0.222 752 G C 1.226 176.251 174.900 0.209 0.000 1.113 752 G CA 1.187 46.314 45.100 0.046 0.000 0.748 752 G HN 0.273 nan 8.290 nan 0.000 0.585 753 Y N 0.974 121.294 120.300 0.033 0.000 2.490 753 Y HA 0.227 4.777 4.550 0.000 0.000 0.281 753 Y C 1.037 176.963 175.900 0.045 0.000 1.174 753 Y CA -1.116 57.006 58.100 0.038 0.000 1.295 753 Y CB -0.415 38.065 38.460 0.034 0.000 1.062 753 Y HN 0.094 nan 8.280 nan 0.000 0.522 754 N N -0.536 118.281 118.700 0.194 0.000 2.434 754 N HA 0.387 5.127 4.740 0.000 0.000 0.266 754 N C -0.432 175.120 175.510 0.069 0.000 1.223 754 N CA -0.116 53.010 53.050 0.126 0.000 0.972 754 N CB 2.209 40.767 38.487 0.119 0.000 1.207 754 N HN -0.065 nan 8.380 nan 0.000 0.525 755 V N -1.084 118.838 119.914 0.013 0.000 3.181 755 V HA 0.560 4.680 4.120 0.000 0.000 0.307 755 V C -0.438 175.575 176.094 -0.135 0.000 1.310 755 V CA 0.027 62.272 62.300 -0.092 0.000 1.067 755 V CB 1.342 33.046 31.823 -0.199 0.000 1.081 755 V HN 0.843 nan 8.190 nan 0.000 0.453 756 A N 1.689 124.369 122.820 -0.233 0.000 2.799 756 A HA -0.265 4.055 4.320 0.000 0.000 0.274 756 A C 0.766 178.335 177.584 -0.025 0.000 1.393 756 A CA 2.040 53.973 52.037 -0.174 0.000 0.909 756 A CB -2.282 16.573 19.000 -0.242 0.000 1.012 756 A HN 1.699 nan 8.150 nan 0.000 0.653 757 Q N -4.395 115.403 119.800 -0.004 0.000 2.502 757 Q HA -0.260 4.080 4.340 0.000 0.000 0.273 757 Q C 0.310 176.349 176.000 0.065 0.000 1.127 757 Q CA 1.208 57.028 55.803 0.029 0.000 0.952 757 Q CB -2.744 26.004 28.738 0.018 0.000 1.333 757 Q HN 2.176 nan 8.270 nan 0.000 0.494 758 C N -2.377 116.983 119.300 0.100 0.000 3.311 758 C HA 0.598 5.058 4.460 0.000 0.000 0.366 758 C C 1.198 176.313 174.990 0.207 0.000 1.694 758 C CA -0.195 58.927 59.018 0.173 0.000 1.244 758 C CB 0.898 28.766 27.740 0.214 0.000 2.038 758 C HN 0.456 nan 8.230 nan 0.000 0.436 759 N N 0.678 119.563 118.700 0.309 0.000 2.370 759 N HA 0.072 4.812 4.740 0.000 0.000 0.198 759 N C 0.148 175.847 175.510 0.313 0.000 1.156 759 N CA -0.016 53.208 53.050 0.289 0.000 0.839 759 N CB -0.244 38.411 38.487 0.280 0.000 0.989 759 N HN 0.889 nan 8.380 nan 0.000 0.468 760 M N 1.653 121.418 119.600 0.275 0.000 2.242 760 M HA 0.097 4.577 4.480 0.000 0.000 0.344 760 M C 0.161 176.546 176.300 0.141 0.000 1.140 760 M CA -0.304 55.101 55.300 0.176 0.000 1.160 760 M CB 0.940 33.547 32.600 0.013 0.000 1.491 760 M HN 0.206 nan 8.290 nan 0.000 0.459 761 T N 1.096 115.741 114.554 0.151 0.000 2.899 761 T HA 0.312 4.662 4.350 0.000 0.000 0.284 761 T C 0.747 175.521 174.700 0.122 0.000 1.004 761 T CA -0.636 61.545 62.100 0.136 0.000 1.043 761 T CB 1.147 70.090 68.868 0.126 0.000 1.013 761 T HN 0.811 nan 8.240 nan 0.000 0.518 762 K N 0.557 121.003 120.400 0.077 0.000 2.057 762 K HA -0.128 4.192 4.320 0.000 0.000 0.207 762 K C 1.853 178.509 176.600 0.093 0.000 1.049 762 K CA 1.659 57.990 56.287 0.073 0.000 0.931 762 K CB -0.205 32.318 32.500 0.038 0.000 0.714 762 K HN 0.611 nan 8.250 nan 0.000 0.440 763 D N 0.175 120.594 120.400 0.033 0.000 2.106 763 D HA -0.233 4.407 4.640 0.000 0.000 0.191 763 D C 1.487 177.816 176.300 0.048 0.000 0.997 763 D CA 0.922 54.930 54.000 0.013 0.000 0.834 763 D CB -0.279 40.508 40.800 -0.021 0.000 0.956 763 D HN 0.365 nan 8.370 nan 0.000 0.448 764 W N 0.376 121.614 121.300 -0.103 0.000 2.358 764 W HA -0.236 4.424 4.660 0.000 0.000 0.303 764 W C 2.127 178.500 176.519 -0.243 0.000 1.208 764 W CA 0.507 57.742 57.345 -0.184 0.000 1.274 764 W CB -0.544 28.791 29.460 -0.209 0.000 1.138 764 W HN -0.072 nan 8.180 nan 0.000 0.515 765 F N 1.268 121.077 119.950 -0.236 0.000 2.161 765 F HA -0.256 4.271 4.527 0.000 0.000 0.300 765 F C 2.273 177.866 175.800 -0.345 0.000 1.089 765 F CA 1.892 59.668 58.000 -0.373 0.000 1.282 765 F CB -0.941 37.862 39.000 -0.328 0.000 1.010 765 F HN -0.136 nan 8.300 nan 0.000 0.485 766 L N -0.283 120.853 121.223 -0.144 0.000 2.027 766 L HA -0.123 4.217 4.340 0.000 0.000 0.206 766 L C 2.168 178.808 176.870 -0.382 0.000 1.074 766 L CA 1.703 56.488 54.840 -0.091 0.000 0.745 766 L CB -0.996 41.084 42.059 0.035 0.000 0.898 766 L HN 0.023 nan 8.230 nan 0.000 0.433 767 V N -0.279 119.309 119.914 -0.544 0.000 2.358 767 V HA -0.249 3.871 4.120 0.000 0.000 0.246 767 V C 2.691 178.292 176.094 -0.822 0.000 1.047 767 V CA 1.634 63.476 62.300 -0.762 0.000 1.035 767 V CB -0.795 30.479 31.823 -0.915 0.000 0.658 767 V HN 0.505 nan 8.190 nan 0.000 0.452 768 Q N -0.908 118.240 119.800 -1.088 0.000 2.084 768 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 768 Q C 2.244 177.755 176.000 -0.815 0.000 0.978 768 Q CA 1.331 56.429 55.803 -1.175 0.000 0.844 768 Q CB -0.448 27.175 28.738 -1.858 0.000 0.898 768 Q HN 0.470 nan 8.270 nan 0.000 0.426 769 M N -0.024 119.164 119.600 -0.686 0.000 2.132 769 M HA -0.080 4.400 4.480 0.000 0.000 0.263 769 M C 2.296 178.468 176.300 -0.213 0.000 1.065 769 M CA 1.134 56.244 55.300 -0.316 0.000 1.122 769 M CB -0.889 31.506 32.600 -0.341 0.000 1.365 769 M HN 0.155 nan 8.290 nan 0.000 0.411 770 L N -0.325 120.719 121.223 -0.299 0.000 2.044 770 L HA -0.104 4.236 4.340 0.000 0.000 0.205 770 L C 2.778 179.534 176.870 -0.190 0.000 1.075 770 L CA 1.147 55.857 54.840 -0.216 0.000 0.747 770 L CB -0.988 40.953 42.059 -0.197 0.000 0.903 770 L HN 0.239 nan 8.230 nan 0.000 0.435 771 A N 0.064 122.725 122.820 -0.264 0.000 1.940 771 A HA -0.223 4.097 4.320 0.000 0.000 0.219 771 A C 2.104 179.502 177.584 -0.310 0.000 1.176 771 A CA 2.072 53.962 52.037 -0.246 0.000 0.631 771 A CB -0.599 18.215 19.000 -0.310 0.000 0.814 771 A HN 0.507 nan 8.150 nan 0.000 0.446 772 N N -2.113 116.299 118.700 -0.481 0.000 2.305 772 N HA -0.016 4.724 4.740 0.000 0.000 0.179 772 N C 0.469 175.472 175.510 -0.845 0.000 1.019 772 N CA 1.491 54.076 53.050 -0.776 0.000 0.869 772 N CB 0.050 37.800 38.487 -1.228 0.000 1.000 772 N HN 0.675 nan 8.380 nan 0.000 0.431 773 Y N -0.792 119.435 120.300 -0.123 0.000 2.672 773 Y HA 0.349 4.899 4.550 0.000 0.000 0.252 773 Y C 0.062 175.892 175.900 -0.117 0.000 1.132 773 Y CA -0.641 57.387 58.100 -0.121 0.000 1.228 773 Y CB 0.106 38.468 38.460 -0.162 0.000 1.310 773 Y HN -0.189 nan 8.280 nan 0.000 0.549 774 N N 0.657 119.348 118.700 -0.014 0.000 2.800 774 N HA -0.193 4.547 4.740 0.000 0.000 0.250 774 N C -0.724 174.753 175.510 -0.055 0.000 1.078 774 N CA 0.821 53.861 53.050 -0.017 0.000 0.804 774 N CB -1.420 37.084 38.487 0.028 0.000 1.135 774 N HN 0.442 nan 8.380 nan 0.000 0.565 775 I N -0.624 119.882 120.570 -0.107 0.000 2.331 775 I HA 0.501 4.671 4.170 0.000 0.000 0.292 775 I C 1.464 177.388 176.117 -0.322 0.000 0.998 775 I CA 0.523 61.682 61.300 -0.236 0.000 1.267 775 I CB 1.500 39.259 38.000 -0.401 0.000 1.386 775 I HN 0.235 nan 8.210 nan 0.000 0.476 776 G N 3.976 112.508 108.800 -0.448 0.000 3.859 776 G HA2 -0.175 3.785 3.960 0.000 0.000 0.198 776 G HA3 -0.175 3.785 3.960 0.000 0.000 0.198 776 G C 0.422 174.917 174.900 -0.675 0.000 0.972 776 G CA -0.212 44.452 45.100 -0.726 0.000 0.882 776 G HN 0.458 nan 8.290 nan 0.000 0.364 777 Y N 1.414 121.591 120.300 -0.205 0.000 2.519 777 Y HA 0.339 4.889 4.550 0.000 0.000 0.287 777 Y C 2.178 178.005 175.900 -0.122 0.000 1.128 777 Y CA 1.123 59.137 58.100 -0.143 0.000 1.282 777 Y CB 0.436 38.850 38.460 -0.077 0.000 1.027 777 Y HN 0.243 nan 8.280 nan 0.000 0.551 778 Q N 0.069 119.874 119.800 0.008 0.000 2.233 778 Q HA 0.432 4.772 4.340 0.000 0.000 0.340 778 Q C 0.079 176.096 176.000 0.028 0.000 0.899 778 Q CA -0.040 55.782 55.803 0.031 0.000 1.139 778 Q CB 0.950 29.732 28.738 0.072 0.000 1.273 778 Q HN 0.375 nan 8.270 nan 0.000 0.431 779 G N 0.597 109.333 108.800 -0.106 0.000 2.690 779 G HA2 -0.195 3.765 3.960 0.000 0.000 0.686 779 G HA3 -0.195 3.765 3.960 0.000 0.000 0.686 779 G C -1.119 173.695 174.900 -0.144 0.000 1.277 779 G CA -1.039 44.017 45.100 -0.074 0.000 0.799 779 G HN 0.155 nan 8.290 nan 0.000 0.613 780 F N 1.233 121.247 119.950 0.107 0.000 2.421 780 F HA 0.826 5.353 4.527 0.000 0.000 0.337 780 F C 0.707 176.555 175.800 0.080 0.000 1.105 780 F CA -0.238 57.759 58.000 -0.006 0.000 1.049 780 F CB 1.628 40.712 39.000 0.140 0.000 1.139 780 F HN 0.748 nan 8.300 nan 0.000 0.479 781 Y N -0.197 120.183 120.300 0.134 0.000 2.689 781 Y HA 0.623 5.173 4.550 0.000 0.000 0.333 781 Y C -1.126 174.637 175.900 -0.230 0.000 1.208 781 Y CA -2.126 55.964 58.100 -0.018 0.000 1.055 781 Y CB 0.453 38.889 38.460 -0.040 0.000 1.304 781 Y HN 0.345 nan 8.280 nan 0.000 0.455 782 I N 4.310 124.808 120.570 -0.120 0.000 2.598 782 I HA 0.171 4.341 4.170 0.000 0.000 0.284 782 I C -2.021 173.854 176.117 -0.404 0.000 1.140 782 I CA -1.476 59.513 61.300 -0.517 0.000 1.420 782 I CB 0.353 38.171 38.000 -0.304 0.000 1.387 782 I HN 0.394 nan 8.210 nan 0.000 0.553 783 P HA 0.128 nan 4.420 nan 0.000 0.269 783 P C -0.221 176.853 177.300 -0.376 0.000 1.215 783 P CA -0.207 62.511 63.100 -0.636 0.000 0.780 783 P CB 0.307 31.254 31.700 -1.256 0.000 0.898 784 E N 0.970 120.992 120.200 -0.297 0.000 2.415 784 E HA 0.093 4.443 4.350 0.000 0.000 0.263 784 E C 1.338 177.737 176.600 -0.334 0.000 0.995 784 E CA 0.228 56.465 56.400 -0.273 0.000 0.915 784 E CB -0.718 28.782 29.700 -0.333 0.000 0.951 784 E HN 0.438 nan 8.360 nan 0.000 0.449 785 S N 1.015 116.632 115.700 -0.138 0.000 2.389 785 S HA -0.318 4.152 4.470 0.000 0.000 0.231 785 S C 1.953 176.532 174.600 -0.035 0.000 1.052 785 S CA 2.091 60.260 58.200 -0.051 0.000 1.053 785 S CB -0.961 62.256 63.200 0.028 0.000 0.886 785 S HN 0.989 nan 8.310 nan 0.000 0.456 786 Y N 1.793 122.108 120.300 0.024 0.000 2.497 786 Y HA 0.185 4.735 4.550 0.000 0.000 0.292 786 Y C 1.638 177.577 175.900 0.065 0.000 1.137 786 Y CA 0.522 58.643 58.100 0.034 0.000 1.285 786 Y CB -0.533 37.941 38.460 0.024 0.000 0.991 786 Y HN 0.126 nan 8.280 nan 0.000 0.556 787 K N -0.313 119.823 120.400 -0.440 0.000 2.352 787 K HA 0.014 4.334 4.320 0.000 0.000 0.194 787 K C -0.212 176.464 176.600 0.126 0.000 1.038 787 K CA 0.589 56.790 56.287 -0.143 0.000 1.023 787 K CB 0.241 32.625 32.500 -0.193 0.000 0.840 787 K HN 0.111 nan 8.250 nan 0.000 0.519 788 D N 2.304 122.739 120.400 0.059 0.000 2.518 788 D HA 0.056 4.696 4.640 0.000 0.000 0.230 788 D C -0.140 176.232 176.300 0.120 0.000 1.138 788 D CA -0.309 53.796 54.000 0.175 0.000 0.964 788 D CB 0.318 41.144 40.800 0.043 0.000 1.011 788 D HN -0.005 nan 8.370 nan 0.000 0.517 789 R N 1.937 122.513 120.500 0.127 0.000 2.519 789 R HA 0.273 4.613 4.340 0.000 0.000 0.244 789 R C 1.554 177.863 176.300 0.015 0.000 1.241 789 R CA -0.781 55.358 56.100 0.065 0.000 1.120 789 R CB -0.111 30.231 30.300 0.069 0.000 1.333 789 R HN 0.289 nan 8.270 nan 0.000 0.587 790 M N 0.126 119.667 119.600 -0.098 0.000 2.082 790 M HA -0.183 4.297 4.480 0.000 0.000 0.258 790 M C 0.616 176.737 176.300 -0.298 0.000 1.069 790 M CA 2.041 57.167 55.300 -0.291 0.000 1.102 790 M CB -0.033 32.234 32.600 -0.554 0.000 1.336 790 M HN 0.446 nan 8.290 nan 0.000 0.404 791 Y N -0.237 120.094 120.300 0.051 0.000 2.532 791 Y HA 0.299 4.849 4.550 0.000 0.000 0.283 791 Y C 0.834 176.783 175.900 0.083 0.000 1.181 791 Y CA -0.511 57.631 58.100 0.070 0.000 1.256 791 Y CB -0.394 38.104 38.460 0.063 0.000 1.112 791 Y HN 0.025 nan 8.280 nan 0.000 0.521 792 S N 0.053 115.867 115.700 0.190 0.000 2.645 792 S HA 0.079 4.549 4.470 0.000 0.000 0.266 792 S C 0.949 175.695 174.600 0.243 0.000 1.258 792 S CA -0.677 57.644 58.200 0.202 0.000 0.990 792 S CB 0.587 63.936 63.200 0.247 0.000 0.967 792 S HN 0.390 nan 8.310 nan 0.000 0.556 793 F N 1.554 121.583 119.950 0.131 0.000 2.022 793 F HA -0.054 4.473 4.527 0.000 0.000 0.293 793 F C 1.847 177.814 175.800 0.277 0.000 1.142 793 F CA 1.418 59.510 58.000 0.153 0.000 1.177 793 F CB -0.814 38.218 39.000 0.052 0.000 0.982 793 F HN 0.666 nan 8.300 nan 0.000 0.473 794 F N 1.556 121.397 119.950 -0.181 0.000 2.043 794 F HA -0.271 4.256 4.527 0.000 0.000 0.297 794 F C 2.840 178.575 175.800 -0.109 0.000 1.121 794 F CA 2.566 60.396 58.000 -0.283 0.000 1.199 794 F CB -0.718 38.222 39.000 -0.099 0.000 0.968 794 F HN 0.060 nan 8.300 nan 0.000 0.478 795 R N 0.503 121.066 120.500 0.105 0.000 2.170 795 R HA -0.192 4.148 4.340 0.000 0.000 0.242 795 R C 1.340 177.594 176.300 -0.077 0.000 1.145 795 R CA 2.093 58.204 56.100 0.019 0.000 0.984 795 R CB -0.495 29.856 30.300 0.086 0.000 0.869 795 R HN 0.349 nan 8.270 nan 0.000 0.455 796 N N -0.659 118.005 118.700 -0.060 0.000 2.236 796 N HA -0.040 4.700 4.740 0.000 0.000 0.196 796 N C -0.725 174.782 175.510 -0.005 0.000 1.114 796 N CA -0.016 53.030 53.050 -0.006 0.000 0.859 796 N CB 0.299 38.837 38.487 0.086 0.000 0.982 796 N HN 0.085 nan 8.380 nan 0.000 0.493 797 F N 3.134 122.872 119.950 -0.355 0.000 2.472 797 F HA 0.177 4.704 4.527 0.000 0.000 0.364 797 F C -0.140 175.523 175.800 -0.228 0.000 1.090 797 F CA -0.186 57.613 58.000 -0.336 0.000 1.188 797 F CB 0.546 39.128 39.000 -0.695 0.000 1.105 797 F HN -0.177 nan 8.300 nan 0.000 0.536 798 Q N 8.621 128.103 119.800 -0.530 0.000 2.490 798 Q HA 0.308 4.648 4.340 0.000 0.000 0.255 798 Q C -2.701 173.010 176.000 -0.481 0.000 0.997 798 Q CA -1.985 53.533 55.803 -0.475 0.000 0.709 798 Q CB 1.619 30.236 28.738 -0.202 0.000 1.255 798 Q HN 0.413 nan 8.270 nan 0.000 0.486 799 P HA 0.365 nan 4.420 nan 0.000 0.285 799 P C -0.525 176.702 177.300 -0.121 0.000 1.259 799 P CA -0.235 62.671 63.100 -0.324 0.000 0.794 799 P CB 1.007 32.514 31.700 -0.322 0.000 0.940 800 M N 1.119 120.718 119.600 -0.003 0.000 2.572 800 M HA 0.531 5.011 4.480 0.000 0.000 0.299 800 M C -0.310 176.173 176.300 0.305 0.000 1.205 800 M CA -0.311 55.047 55.300 0.097 0.000 0.876 800 M CB 2.603 35.178 32.600 -0.041 0.000 1.728 800 M HN 0.155 nan 8.290 nan 0.000 0.458 801 S N 0.385 116.326 115.700 0.402 0.000 2.556 801 S HA 0.874 5.344 4.470 0.000 0.000 0.271 801 S C -1.500 173.183 174.600 0.137 0.000 1.135 801 S CA -0.936 57.451 58.200 0.313 0.000 0.858 801 S CB 2.586 65.868 63.200 0.137 0.000 1.114 801 S HN 0.781 nan 8.310 nan 0.000 0.468 802 R N 0.764 121.147 120.500 -0.195 0.000 2.728 802 R HA 0.665 5.005 4.340 0.000 0.000 0.274 802 R C -2.231 173.855 176.300 -0.357 0.000 1.032 802 R CA -0.940 54.920 56.100 -0.400 0.000 0.866 802 R CB 0.684 30.428 30.300 -0.928 0.000 1.263 802 R HN 0.417 nan 8.270 nan 0.000 0.475 803 Q N 0.373 119.999 119.800 -0.290 0.000 2.377 803 Q HA 0.682 5.022 4.340 0.000 0.000 0.271 803 Q C -1.123 174.742 176.000 -0.224 0.000 1.077 803 Q CA -0.752 54.921 55.803 -0.217 0.000 0.820 803 Q CB 2.940 31.591 28.738 -0.145 0.000 1.347 803 Q HN 0.600 nan 8.270 nan 0.000 0.444 804 V N -1.746 118.056 119.914 -0.187 0.000 3.078 804 V HA 0.735 4.855 4.120 0.000 0.000 0.311 804 V C -0.269 175.740 176.094 -0.142 0.000 1.138 804 V CA -1.373 60.836 62.300 -0.152 0.000 1.007 804 V CB 1.394 33.131 31.823 -0.142 0.000 1.045 804 V HN 0.587 nan 8.190 nan 0.000 0.432 805 V N 0.056 119.892 119.914 -0.129 0.000 2.694 805 V HA 0.192 4.312 4.120 0.000 0.000 0.306 805 V C 0.391 176.360 176.094 -0.209 0.000 1.054 805 V CA 0.294 62.471 62.300 -0.206 0.000 1.161 805 V CB 0.209 31.898 31.823 -0.224 0.000 0.916 805 V HN 1.045 nan 8.190 nan 0.000 0.490 806 D N 3.750 124.027 120.400 -0.205 0.000 2.393 806 D HA 0.068 4.708 4.640 0.000 0.000 0.232 806 D C 1.112 177.259 176.300 -0.254 0.000 1.192 806 D CA -0.350 53.541 54.000 -0.181 0.000 0.882 806 D CB 0.992 41.725 40.800 -0.111 0.000 1.038 806 D HN 0.782 nan 8.370 nan 0.000 0.499 807 D N 1.593 121.732 120.400 -0.435 0.000 2.265 807 D HA -0.201 4.439 4.640 0.000 0.000 0.208 807 D C 1.342 177.442 176.300 -0.333 0.000 0.977 807 D CA 0.956 54.498 54.000 -0.764 0.000 0.871 807 D CB -0.311 39.953 40.800 -0.893 0.000 0.925 807 D HN 0.456 nan 8.370 nan 0.000 0.485 808 T N -4.214 110.234 114.554 -0.176 0.000 3.069 808 T HA 0.356 4.706 4.350 0.000 0.000 0.252 808 T C 1.541 176.214 174.700 -0.044 0.000 1.053 808 T CA 0.745 62.797 62.100 -0.081 0.000 0.964 808 T CB 0.308 69.139 68.868 -0.061 0.000 1.005 808 T HN 0.323 nan 8.240 nan 0.000 0.532 809 K N 0.051 120.430 120.400 -0.035 0.000 2.502 809 K HA 0.333 4.653 4.320 0.000 0.000 0.211 809 K C 0.229 176.860 176.600 0.052 0.000 1.259 809 K CA -0.235 56.052 56.287 -0.001 0.000 0.983 809 K CB -0.311 32.184 32.500 -0.008 0.000 1.054 809 K HN 0.499 nan 8.250 nan 0.000 0.572 810 Y N 3.257 123.503 120.300 -0.090 0.000 2.585 810 Y HA 0.369 4.919 4.550 0.000 0.000 0.354 810 Y C 1.682 177.574 175.900 -0.013 0.000 1.024 810 Y CA -0.199 57.856 58.100 -0.075 0.000 1.321 810 Y CB 0.353 38.728 38.460 -0.141 0.000 1.151 810 Y HN 0.332 nan 8.280 nan 0.000 0.525 811 K N 2.989 123.222 120.400 -0.278 0.000 2.077 811 K HA -0.227 4.093 4.320 0.000 0.000 0.213 811 K C 1.061 177.427 176.600 -0.389 0.000 1.051 811 K CA 2.526 58.647 56.287 -0.277 0.000 0.929 811 K CB -0.726 31.657 32.500 -0.194 0.000 0.715 811 K HN 0.805 nan 8.250 nan 0.000 0.451 812 D N -1.567 118.339 120.400 -0.823 0.000 2.319 812 D HA 0.057 4.697 4.640 0.000 0.000 0.230 812 D C 0.096 176.202 176.300 -0.323 0.000 1.094 812 D CA -0.390 53.278 54.000 -0.553 0.000 0.856 812 D CB -0.621 39.922 40.800 -0.428 0.000 0.915 812 D HN 0.555 nan 8.370 nan 0.000 0.517 813 Y N 2.350 122.424 120.300 -0.376 0.000 2.904 813 Y HA -0.076 4.474 4.550 0.000 0.000 0.336 813 Y C 0.072 176.050 175.900 0.129 0.000 1.263 813 Y CA 0.564 58.684 58.100 0.033 0.000 1.547 813 Y CB 0.369 38.866 38.460 0.063 0.000 1.272 813 Y HN -0.170 nan 8.280 nan 0.000 0.596 814 Q N 5.424 124.844 119.800 -0.634 0.000 2.274 814 Q HA 0.133 4.473 4.340 0.000 0.000 0.268 814 Q C -1.390 174.196 176.000 -0.689 0.000 1.015 814 Q CA -0.733 54.774 55.803 -0.493 0.000 0.775 814 Q CB 1.892 30.576 28.738 -0.089 0.000 1.256 814 Q HN 0.809 nan 8.270 nan 0.000 0.442 815 Q N 2.265 121.752 119.800 -0.523 0.000 2.452 815 Q HA 0.344 4.684 4.340 0.000 0.000 0.230 815 Q C -1.020 174.968 176.000 -0.020 0.000 1.180 815 Q CA -0.058 55.650 55.803 -0.157 0.000 0.914 815 Q CB 0.255 29.046 28.738 0.087 0.000 1.408 815 Q HN 0.308 nan 8.270 nan 0.000 0.520 816 V N 3.531 123.451 119.914 0.009 0.000 2.370 816 V HA 0.631 4.751 4.120 0.000 0.000 0.283 816 V C 0.800 176.879 176.094 -0.024 0.000 1.023 816 V CA -0.533 61.772 62.300 0.009 0.000 0.857 816 V CB 1.283 33.091 31.823 -0.026 0.000 0.985 816 V HN 0.789 nan 8.190 nan 0.000 0.443 817 G N 2.595 111.390 108.800 -0.007 0.000 2.535 817 G HA2 0.481 4.441 3.960 0.000 0.000 0.303 817 G HA3 0.481 4.441 3.960 0.000 0.000 0.303 817 G C 0.863 175.669 174.900 -0.155 0.000 1.237 817 G CA -0.541 44.522 45.100 -0.062 0.000 0.986 817 G HN 0.736 nan 8.290 nan 0.000 0.494 818 I N -0.674 119.801 120.570 -0.158 0.000 2.194 818 I HA -0.200 3.970 4.170 0.000 0.000 0.246 818 I C 2.516 178.534 176.117 -0.165 0.000 1.093 818 I CA 1.165 62.363 61.300 -0.170 0.000 1.355 818 I CB -0.805 37.123 38.000 -0.120 0.000 1.046 818 I HN 0.335 nan 8.210 nan 0.000 0.413 819 L N -0.128 120.951 121.223 -0.241 0.000 2.197 819 L HA -0.249 4.091 4.340 0.000 0.000 0.215 819 L C 1.748 178.354 176.870 -0.440 0.000 1.095 819 L CA 1.830 56.448 54.840 -0.369 0.000 0.764 819 L CB -0.794 40.930 42.059 -0.558 0.000 0.897 819 L HN 0.494 nan 8.230 nan 0.000 0.436 820 H N -2.761 116.333 119.070 0.039 0.000 2.923 820 H HA 0.218 4.774 4.556 0.000 0.000 0.268 820 H C 0.028 175.350 175.328 -0.011 0.000 1.148 820 H CA -0.420 55.652 56.048 0.041 0.000 1.146 820 H CB 0.477 30.246 29.762 0.011 0.000 1.607 820 H HN 0.300 nan 8.280 nan 0.000 0.566 821 Q N 2.146 121.934 119.800 -0.019 0.000 2.261 821 Q HA 0.174 4.514 4.340 0.000 0.000 0.252 821 Q C -0.352 175.661 176.000 0.021 0.000 0.915 821 Q CA -0.537 55.173 55.803 -0.155 0.000 0.915 821 Q CB 1.079 29.533 28.738 -0.473 0.000 1.204 821 Q HN 0.513 nan 8.270 nan 0.000 0.421 822 H N 0.973 120.074 119.070 0.052 0.000 2.744 822 H HA 0.528 5.084 4.556 0.000 0.000 0.339 822 H C -1.437 173.952 175.328 0.102 0.000 1.004 822 H CA -0.901 55.201 56.048 0.091 0.000 1.257 822 H CB 1.308 31.116 29.762 0.076 0.000 1.552 822 H HN 0.489 nan 8.280 nan 0.000 0.522 823 N N 3.555 122.404 118.700 0.247 0.000 2.616 823 N HA 0.096 4.836 4.740 0.000 0.000 0.281 823 N C -0.563 175.126 175.510 0.297 0.000 1.145 823 N CA -0.244 52.924 53.050 0.196 0.000 0.919 823 N CB 0.873 39.347 38.487 -0.020 0.000 1.509 823 N HN 0.862 nan 8.380 nan 0.000 0.537 824 N N -0.143 118.736 118.700 0.298 0.000 3.003 824 N HA -0.153 4.587 4.740 0.000 0.000 0.237 824 N C -0.574 175.179 175.510 0.405 0.000 0.969 824 N CA 1.071 54.338 53.050 0.363 0.000 0.941 824 N CB -1.446 37.218 38.487 0.296 0.000 1.098 824 N HN 0.728 nan 8.380 nan 0.000 0.563 825 S N -0.564 115.313 115.700 0.296 0.000 2.558 825 S HA 0.363 4.833 4.470 0.000 0.000 0.293 825 S C 1.623 176.217 174.600 -0.009 0.000 1.292 825 S CA 1.233 59.518 58.200 0.142 0.000 1.063 825 S CB 1.293 64.542 63.200 0.081 0.000 0.831 825 S HN 1.190 nan 8.310 nan 0.000 0.499 826 G N 2.252 110.946 108.800 -0.176 0.000 2.225 826 G HA2 -0.256 3.704 3.960 0.000 0.000 0.254 826 G HA3 -0.256 3.704 3.960 0.000 0.000 0.254 826 G C 0.192 174.654 174.900 -0.731 0.000 0.988 826 G CA 0.403 45.201 45.100 -0.503 0.000 0.625 826 G HN 0.864 nan 8.290 nan 0.000 0.527 827 F N -0.426 119.538 119.950 0.023 0.000 2.767 827 F HA 0.658 5.185 4.527 0.000 0.000 0.323 827 F C 0.816 176.620 175.800 0.005 0.000 1.091 827 F CA -0.241 57.767 58.000 0.015 0.000 1.192 827 F CB 1.133 40.149 39.000 0.026 0.000 1.056 827 F HN 0.167 nan 8.300 nan 0.000 0.571 828 V N -0.402 119.592 119.914 0.134 0.000 3.040 828 V HA 0.767 4.887 4.120 0.000 0.000 0.312 828 V C 0.258 176.370 176.094 0.030 0.000 1.115 828 V CA -1.088 61.258 62.300 0.075 0.000 0.998 828 V CB 1.920 33.807 31.823 0.106 0.000 1.042 828 V HN 0.115 nan 8.190 nan 0.000 0.433 829 G N 0.787 109.581 108.800 -0.010 0.000 2.569 829 G HA2 0.326 4.286 3.960 0.000 0.000 0.249 829 G HA3 0.326 4.286 3.960 0.000 0.000 0.249 829 G C -1.257 173.680 174.900 0.061 0.000 1.216 829 G CA 0.012 45.103 45.100 -0.014 0.000 0.845 829 G HN 0.650 nan 8.290 nan 0.000 0.568 830 Y N 1.413 121.676 120.300 -0.061 0.000 2.367 830 Y HA 0.373 4.923 4.550 0.000 0.000 0.342 830 Y C 1.040 176.932 175.900 -0.013 0.000 0.979 830 Y CA -1.010 57.068 58.100 -0.038 0.000 1.161 830 Y CB 0.384 38.812 38.460 -0.052 0.000 1.155 830 Y HN 0.523 nan 8.280 nan 0.000 0.503 831 L N 4.051 125.011 121.223 -0.438 0.000 3.976 831 L HA -0.310 4.030 4.340 0.000 0.000 0.418 831 L C -0.120 176.720 176.870 -0.050 0.000 1.177 831 L CA 0.966 55.593 54.840 -0.355 0.000 0.968 831 L CB -1.945 39.718 42.059 -0.659 0.000 1.933 831 L HN 0.793 nan 8.230 nan 0.000 0.976 832 A N -1.913 120.876 122.820 -0.052 0.000 2.567 832 A HA 0.722 5.042 4.320 0.000 0.000 0.291 832 A C -2.591 174.918 177.584 -0.124 0.000 1.048 832 A CA -0.639 51.379 52.037 -0.032 0.000 0.661 832 A CB 0.933 19.949 19.000 0.026 0.000 1.288 832 A HN -0.130 nan 8.150 nan 0.000 0.424 833 P HA 0.158 nan 4.420 nan 0.000 0.243 833 P C 0.492 177.668 177.300 -0.208 0.000 1.668 833 P CA 0.544 63.452 63.100 -0.320 0.000 0.898 833 P CB -0.669 30.790 31.700 -0.401 0.000 1.637 834 T N -4.044 110.420 114.554 -0.150 0.000 2.902 834 T HA 0.402 4.752 4.350 0.000 0.000 0.287 834 T C 0.608 175.223 174.700 -0.143 0.000 1.048 834 T CA -1.023 60.990 62.100 -0.144 0.000 0.941 834 T CB 0.367 69.143 68.868 -0.153 0.000 1.432 834 T HN -0.036 nan 8.240 nan 0.000 0.586 835 M N 1.663 121.167 119.600 -0.159 0.000 2.252 835 M HA 0.182 4.662 4.480 0.000 0.000 0.329 835 M C 0.280 176.514 176.300 -0.111 0.000 1.101 835 M CA -0.585 54.633 55.300 -0.137 0.000 1.117 835 M CB 0.483 32.986 32.600 -0.162 0.000 1.563 835 M HN 0.753 nan 8.290 nan 0.000 0.445 836 R N 2.940 123.392 120.500 -0.081 0.000 2.734 836 R HA 0.281 4.621 4.340 0.000 0.000 0.266 836 R C -1.008 175.234 176.300 -0.096 0.000 1.044 836 R CA 0.029 56.090 56.100 -0.066 0.000 1.128 836 R CB -0.004 30.273 30.300 -0.038 0.000 1.010 836 R HN 0.738 nan 8.270 nan 0.000 0.461 837 E N -0.570 119.571 120.200 -0.099 0.000 2.439 837 E HA 0.603 4.953 4.350 0.000 0.000 0.279 837 E C -0.389 176.124 176.600 -0.145 0.000 1.077 837 E CA -1.060 55.267 56.400 -0.121 0.000 0.849 837 E CB 0.815 30.451 29.700 -0.106 0.000 1.408 837 E HN 0.840 nan 8.360 nan 0.000 0.457 838 G N 0.522 109.224 108.800 -0.164 0.000 2.545 838 G HA2 -0.041 3.919 3.960 0.000 0.000 0.216 838 G HA3 -0.041 3.919 3.960 0.000 0.000 0.216 838 G C -1.154 173.621 174.900 -0.208 0.000 1.314 838 G CA 0.022 45.010 45.100 -0.185 0.000 0.906 838 G HN 0.950 nan 8.290 nan 0.000 0.563 839 Q N -1.414 118.264 119.800 -0.203 0.000 2.435 839 Q HA 0.760 5.100 4.340 0.000 0.000 0.282 839 Q C -0.147 175.788 176.000 -0.107 0.000 1.020 839 Q CA -0.446 55.246 55.803 -0.185 0.000 0.820 839 Q CB 1.572 30.242 28.738 -0.114 0.000 1.436 839 Q HN 2.274 nan 8.270 nan 0.000 0.395 840 A N 1.306 124.079 122.820 -0.078 0.000 2.555 840 A HA 0.400 4.720 4.320 0.000 0.000 0.233 840 A C -1.101 176.640 177.584 0.262 0.000 1.060 840 A CA 0.701 52.823 52.037 0.142 0.000 0.759 840 A CB -0.055 19.075 19.000 0.217 0.000 0.995 840 A HN 0.644 nan 8.150 nan 0.000 0.506 841 Y N 0.389 120.742 120.300 0.089 0.000 2.554 841 Y HA 0.338 4.888 4.550 0.000 0.000 0.338 841 Y C -2.452 173.519 175.900 0.120 0.000 1.247 841 Y CA -1.262 56.872 58.100 0.056 0.000 1.255 841 Y CB 1.323 39.754 38.460 -0.048 0.000 1.346 841 Y HN 0.635 nan 8.280 nan 0.000 0.481 842 P HA 0.237 nan 4.420 nan 0.000 0.261 842 P C -0.631 176.807 177.300 0.230 0.000 1.183 842 P CA 0.332 63.454 63.100 0.035 0.000 0.761 842 P CB 0.367 32.019 31.700 -0.079 0.000 0.785 843 A N 3.549 126.456 122.820 0.145 0.000 2.466 843 A HA 0.111 4.431 4.320 0.000 0.000 0.238 843 A C 1.172 178.744 177.584 -0.019 0.000 1.074 843 A CA -0.140 51.957 52.037 0.099 0.000 0.774 843 A CB -0.106 18.890 19.000 -0.006 0.000 1.015 843 A HN 0.704 nan 8.150 nan 0.000 0.498 844 N N -0.047 118.533 118.700 -0.200 0.000 2.177 844 N HA 0.249 4.989 4.740 0.000 0.000 0.218 844 N C -0.668 174.731 175.510 -0.185 0.000 1.182 844 N CA -0.075 52.832 53.050 -0.240 0.000 0.882 844 N CB 0.309 38.520 38.487 -0.460 0.000 1.052 844 N HN 0.486 nan 8.380 nan 0.000 0.519 845 F N 0.351 120.072 119.950 -0.382 0.000 2.708 845 F HA 0.574 5.101 4.527 0.000 0.000 0.309 845 F C -2.987 172.529 175.800 -0.474 0.000 1.120 845 F CA -1.354 56.398 58.000 -0.412 0.000 0.978 845 F CB 1.604 40.404 39.000 -0.334 0.000 1.283 845 F HN -0.226 nan 8.300 nan 0.000 0.439 846 P HA 0.284 nan 4.420 nan 0.000 0.284 846 P C -1.458 175.433 177.300 -0.682 0.000 1.292 846 P CA -0.210 62.017 63.100 -1.455 0.000 0.800 846 P CB 0.737 31.747 31.700 -1.150 0.000 1.188 847 Y N -0.076 119.952 120.300 -0.453 0.000 2.425 847 Y HA 0.217 4.767 4.550 0.000 0.000 0.331 847 Y C -1.365 174.395 175.900 -0.233 0.000 1.157 847 Y CA -1.413 56.536 58.100 -0.251 0.000 1.372 847 Y CB -0.869 37.471 38.460 -0.201 0.000 1.253 847 Y HN 0.205 nan 8.280 nan 0.000 0.536 848 P HA 0.144 nan 4.420 nan 0.000 0.276 848 P C -0.052 177.201 177.300 -0.077 0.000 1.253 848 P CA 0.127 63.199 63.100 -0.047 0.000 0.766 848 P CB 0.744 32.425 31.700 -0.030 0.000 0.845 849 L N 2.894 124.070 121.223 -0.079 0.000 2.640 849 L HA 0.250 4.590 4.340 0.000 0.000 0.230 849 L C 1.068 177.894 176.870 -0.073 0.000 1.123 849 L CA 0.115 54.899 54.840 -0.093 0.000 0.900 849 L CB -0.177 41.826 42.059 -0.092 0.000 1.146 849 L HN 0.391 nan 8.230 nan 0.000 0.484 850 I N -4.014 116.523 120.570 -0.056 0.000 3.206 850 I HA 0.952 5.122 4.170 0.000 0.000 0.313 850 I C 0.353 176.450 176.117 -0.034 0.000 1.103 850 I CA -0.695 60.580 61.300 -0.042 0.000 0.985 850 I CB 1.696 39.677 38.000 -0.032 0.000 1.240 850 I HN -0.027 nan 8.210 nan 0.000 0.464 851 G N 2.077 110.862 108.800 -0.025 0.000 2.685 851 G HA2 -0.165 3.795 3.960 0.000 0.000 0.387 851 G HA3 -0.165 3.795 3.960 0.000 0.000 0.387 851 G C -0.057 174.833 174.900 -0.015 0.000 1.324 851 G CA -0.059 45.031 45.100 -0.018 0.000 0.878 851 G HN 0.867 nan 8.290 nan 0.000 0.527 852 K N -0.864 119.531 120.400 -0.008 0.000 2.486 852 K HA 0.087 4.407 4.320 0.000 0.000 0.194 852 K C 1.851 178.452 176.600 0.002 0.000 1.033 852 K CA 1.351 57.636 56.287 -0.003 0.000 1.004 852 K CB 0.091 32.592 32.500 0.001 0.000 0.798 852 K HN 0.368 nan 8.250 nan 0.000 0.495 853 T N 0.592 115.147 114.554 0.001 0.000 3.044 853 T HA 0.215 4.565 4.350 0.000 0.000 0.260 853 T C 0.166 174.860 174.700 -0.010 0.000 1.019 853 T CA -0.244 61.864 62.100 0.012 0.000 0.921 853 T CB 0.273 69.156 68.868 0.025 0.000 1.053 853 T HN 0.219 nan 8.240 nan 0.000 0.533 854 A N 1.936 124.733 122.820 -0.038 0.000 2.609 854 A HA 0.329 4.649 4.320 0.000 0.000 0.232 854 A C 0.767 178.268 177.584 -0.139 0.000 1.041 854 A CA -0.073 51.914 52.037 -0.084 0.000 0.753 854 A CB -0.186 18.770 19.000 -0.073 0.000 0.966 854 A HN 0.477 nan 8.150 nan 0.000 0.510 855 V N 0.789 120.531 119.914 -0.286 0.000 2.953 855 V HA 0.308 4.428 4.120 0.000 0.000 0.304 855 V C 0.212 176.111 176.094 -0.326 0.000 1.073 855 V CA -1.171 60.805 62.300 -0.540 0.000 1.064 855 V CB 0.727 31.840 31.823 -1.183 0.000 1.047 855 V HN 0.792 nan 8.190 nan 0.000 0.478 856 D N 2.734 122.997 120.400 -0.228 0.000 2.487 856 D HA 0.208 4.848 4.640 0.000 0.000 0.243 856 D C 0.457 176.662 176.300 -0.160 0.000 1.154 856 D CA 0.690 54.627 54.000 -0.106 0.000 0.876 856 D CB 1.027 41.829 40.800 0.003 0.000 1.161 856 D HN 0.959 nan 8.370 nan 0.000 0.478 857 S N 1.665 117.290 115.700 -0.126 0.000 2.726 857 S HA 0.739 5.210 4.470 0.000 0.000 0.308 857 S C -0.484 174.055 174.600 -0.102 0.000 1.115 857 S CA -0.875 57.246 58.200 -0.131 0.000 0.965 857 S CB 2.049 65.171 63.200 -0.131 0.000 1.145 857 S HN 0.299 nan 8.310 nan 0.000 0.532 858 I N 0.531 121.036 120.570 -0.108 0.000 2.647 858 I HA 0.493 4.663 4.170 0.000 0.000 0.295 858 I C -0.447 175.613 176.117 -0.095 0.000 1.078 858 I CA -0.068 61.179 61.300 -0.088 0.000 1.048 858 I CB 2.386 40.335 38.000 -0.086 0.000 1.239 858 I HN 0.872 nan 8.210 nan 0.000 0.421 859 T N 5.801 120.314 114.554 -0.069 0.000 2.837 859 T HA 0.538 4.888 4.350 0.000 0.000 0.285 859 T C -0.629 174.043 174.700 -0.046 0.000 0.984 859 T CA -0.558 61.501 62.100 -0.067 0.000 1.049 859 T CB 0.857 69.703 68.868 -0.037 0.000 0.947 859 T HN 0.432 nan 8.240 nan 0.000 0.472 860 Q N 1.984 121.743 119.800 -0.069 0.000 2.321 860 Q HA 0.486 4.826 4.340 0.000 0.000 0.270 860 Q C -0.976 175.121 176.000 0.161 0.000 1.032 860 Q CA -0.872 54.940 55.803 0.014 0.000 0.784 860 Q CB 2.344 31.049 28.738 -0.056 0.000 1.264 860 Q HN 0.506 nan 8.270 nan 0.000 0.448 861 K N 2.184 122.726 120.400 0.237 0.000 2.371 861 K HA 0.639 4.959 4.320 0.000 0.000 0.251 861 K C -0.771 175.990 176.600 0.268 0.000 0.934 861 K CA -0.903 55.553 56.287 0.282 0.000 0.798 861 K CB 2.336 34.952 32.500 0.193 0.000 1.204 861 K HN 0.559 nan 8.250 nan 0.000 0.427 862 K N 0.476 121.010 120.400 0.224 0.000 2.491 862 K HA 0.596 4.916 4.320 0.000 0.000 0.275 862 K C -1.496 175.200 176.600 0.161 0.000 0.982 862 K CA -0.994 55.358 56.287 0.109 0.000 0.794 862 K CB 1.223 33.665 32.500 -0.096 0.000 1.488 862 K HN 0.528 nan 8.250 nan 0.000 0.360 863 F N -1.329 118.611 119.950 -0.016 0.000 2.744 863 F HA 0.650 5.177 4.527 0.000 0.000 0.311 863 F C -2.374 173.423 175.800 -0.005 0.000 1.144 863 F CA -1.240 56.740 58.000 -0.033 0.000 0.938 863 F CB 0.874 39.938 39.000 0.107 0.000 1.292 863 F HN 0.313 nan 8.300 nan 0.000 0.444 864 L N 2.016 123.338 121.223 0.165 0.000 2.333 864 L HA 0.713 5.053 4.340 0.000 0.000 0.269 864 L C -0.630 176.498 176.870 0.431 0.000 1.010 864 L CA -0.834 54.079 54.840 0.123 0.000 0.818 864 L CB 1.798 43.824 42.059 -0.057 0.000 1.306 864 L HN 1.030 nan 8.230 nan 0.000 0.430 865 C N 2.033 121.595 119.300 0.436 0.000 3.173 865 C HA 0.292 4.752 4.460 0.000 0.000 0.209 865 C C -0.436 174.707 174.990 0.255 0.000 1.229 865 C CA -0.848 58.407 59.018 0.394 0.000 1.109 865 C CB -1.017 27.066 27.740 0.572 0.000 1.833 865 C HN 0.785 nan 8.230 nan 0.000 0.626 866 D N 1.547 122.121 120.400 0.291 0.000 2.354 866 D HA 0.103 4.743 4.640 0.000 0.000 0.238 866 D C 1.041 177.551 176.300 0.350 0.000 1.250 866 D CA 0.371 54.594 54.000 0.371 0.000 0.911 866 D CB 0.391 41.472 40.800 0.468 0.000 1.163 866 D HN 0.710 nan 8.370 nan 0.000 0.456 867 R N -1.388 119.392 120.500 0.466 0.000 3.358 867 R HA -0.248 4.092 4.340 0.000 0.000 0.248 867 R C -0.915 175.661 176.300 0.459 0.000 0.981 867 R CA 0.980 57.360 56.100 0.467 0.000 0.662 867 R CB -2.374 28.178 30.300 0.420 0.000 1.037 867 R HN 0.385 nan 8.270 nan 0.000 0.460 868 T N -0.182 114.574 114.554 0.336 0.000 2.816 868 T HA 0.685 5.035 4.350 0.000 0.000 0.299 868 T C -1.068 173.569 174.700 -0.105 0.000 1.230 868 T CA -0.808 61.392 62.100 0.166 0.000 1.007 868 T CB 1.304 70.232 68.868 0.101 0.000 1.289 868 T HN 0.271 nan 8.240 nan 0.000 0.508 869 L N 1.826 122.922 121.223 -0.211 0.000 2.346 869 L HA 0.557 4.897 4.340 0.000 0.000 0.276 869 L C -0.588 176.040 176.870 -0.404 0.000 1.006 869 L CA -0.926 53.650 54.840 -0.441 0.000 0.817 869 L CB 1.679 43.504 42.059 -0.390 0.000 1.272 869 L HN 0.703 nan 8.230 nan 0.000 0.421 870 W N 2.839 123.793 121.300 -0.576 0.000 2.181 870 W HA 0.325 4.985 4.660 -0.000 0.000 0.335 870 W C 0.293 176.441 176.519 -0.618 0.000 1.310 870 W CA -0.477 56.478 57.345 -0.650 0.000 1.226 870 W CB 0.606 29.347 29.460 -1.197 0.000 1.155 870 W HN 0.302 nan 8.180 nan 0.000 0.565 871 R N 3.243 123.637 120.500 -0.177 0.000 2.686 871 R HA 0.588 4.928 4.340 0.000 0.000 0.286 871 R C -0.938 175.239 176.300 -0.206 0.000 0.969 871 R CA -0.952 55.033 56.100 -0.193 0.000 0.898 871 R CB 1.855 32.022 30.300 -0.221 0.000 1.183 871 R HN 0.425 nan 8.270 nan 0.000 0.456 872 I N 3.659 124.233 120.570 0.008 0.000 2.583 872 I HA 0.272 4.442 4.170 0.000 0.000 0.276 872 I C -2.434 173.891 176.117 0.347 0.000 1.089 872 I CA -2.191 59.182 61.300 0.122 0.000 1.103 872 I CB 1.870 39.934 38.000 0.107 0.000 1.209 872 I HN 0.238 nan 8.210 nan 0.000 0.484 873 P HA 0.079 nan 4.420 nan 0.000 0.275 873 P C -0.335 177.225 177.300 0.434 0.000 1.227 873 P CA -0.220 63.018 63.100 0.230 0.000 0.781 873 P CB 0.662 32.461 31.700 0.166 0.000 0.906 874 F N 2.302 122.204 119.950 -0.081 0.000 2.669 874 F HA 0.293 4.820 4.527 0.000 0.000 0.353 874 F C 0.397 176.227 175.800 0.049 0.000 1.192 874 F CA -0.142 57.795 58.000 -0.105 0.000 1.317 874 F CB -0.560 38.126 39.000 -0.523 0.000 1.652 874 F HN 0.088 nan 8.300 nan 0.000 0.608 875 S N 0.263 116.041 115.700 0.130 0.000 2.521 875 S HA 0.324 4.794 4.470 0.000 0.000 0.295 875 S C 1.074 175.617 174.600 -0.095 0.000 1.098 875 S CA -0.044 58.152 58.200 -0.006 0.000 0.999 875 S CB 1.271 64.493 63.200 0.036 0.000 1.034 875 S HN 0.475 nan 8.310 nan 0.000 0.483 876 S N 3.559 119.171 115.700 -0.146 0.000 2.407 876 S HA -0.207 4.263 4.470 0.000 0.000 0.235 876 S C 0.964 175.366 174.600 -0.330 0.000 1.036 876 S CA 1.901 59.974 58.200 -0.212 0.000 1.013 876 S CB -0.733 62.378 63.200 -0.148 0.000 0.820 876 S HN 0.911 nan 8.310 nan 0.000 0.476 877 N N -0.782 117.779 118.700 -0.232 0.000 2.238 877 N HA 0.221 4.961 4.740 0.000 0.000 0.235 877 N C -0.013 175.523 175.510 0.044 0.000 1.209 877 N CA -0.363 52.601 53.050 -0.142 0.000 0.879 877 N CB -0.674 37.797 38.487 -0.026 0.000 1.136 877 N HN 0.277 nan 8.380 nan 0.000 0.517 878 F N -1.372 118.643 119.950 0.109 0.000 2.825 878 F HA -0.294 4.233 4.527 0.000 0.000 0.358 878 F C 0.449 176.264 175.800 0.024 0.000 0.639 878 F CA 0.612 58.659 58.000 0.079 0.000 1.153 878 F CB -2.051 36.972 39.000 0.038 0.000 1.610 878 F HN 0.121 nan 8.300 nan 0.000 0.305 879 M N -0.274 119.431 119.600 0.175 0.000 2.283 879 M HA 0.370 4.850 4.480 0.000 0.000 0.314 879 M C 0.684 177.015 176.300 0.051 0.000 1.153 879 M CA -0.098 55.264 55.300 0.103 0.000 1.084 879 M CB 0.802 33.473 32.600 0.118 0.000 1.468 879 M HN -0.059 nan 8.290 nan 0.000 0.474 880 S N 2.049 117.762 115.700 0.022 0.000 2.399 880 S HA 0.401 4.871 4.470 0.000 0.000 0.301 880 S C 0.224 174.832 174.600 0.013 0.000 1.093 880 S CA -0.450 57.752 58.200 0.002 0.000 1.077 880 S CB 0.166 63.353 63.200 -0.021 0.000 0.980 880 S HN 0.650 nan 8.310 nan 0.000 0.494 881 M N 2.265 121.872 119.600 0.012 0.000 2.416 881 M HA 0.329 4.809 4.480 0.000 0.000 0.337 881 M C 0.607 176.916 176.300 0.015 0.000 1.074 881 M CA -0.194 55.114 55.300 0.014 0.000 0.968 881 M CB 0.912 33.518 32.600 0.010 0.000 1.472 881 M HN 0.814 nan 8.290 nan 0.000 0.539 882 G N -0.191 108.618 108.800 0.015 0.000 2.307 882 G HA2 0.283 4.243 3.960 0.000 0.000 0.348 882 G HA3 0.283 4.243 3.960 0.000 0.000 0.348 882 G C 0.092 175.015 174.900 0.037 0.000 1.603 882 G CA -0.508 44.607 45.100 0.026 0.000 0.961 882 G HN 0.081 nan 8.290 nan 0.000 0.686 883 A N 0.287 123.142 122.820 0.058 0.000 1.892 883 A HA 0.114 4.434 4.320 0.000 0.000 0.218 883 A C 1.649 179.374 177.584 0.235 0.000 1.188 883 A CA 2.191 54.277 52.037 0.081 0.000 0.631 883 A CB -0.294 18.789 19.000 0.138 0.000 0.822 883 A HN 1.810 nan 8.150 nan 0.000 0.447 884 L N 2.105 123.499 121.223 0.285 0.000 2.334 884 L HA 0.312 4.652 4.340 0.000 0.000 0.286 884 L C 0.864 177.810 176.870 0.127 0.000 1.108 884 L CA 0.275 55.273 54.840 0.263 0.000 0.875 884 L CB -0.302 41.802 42.059 0.076 0.000 1.246 884 L HN 0.409 nan 8.230 nan 0.000 0.439 885 T N -0.019 114.606 114.554 0.118 0.000 2.795 885 T HA 0.039 4.389 4.350 0.000 0.000 0.314 885 T C 1.124 175.846 174.700 0.037 0.000 1.069 885 T CA 0.257 62.389 62.100 0.053 0.000 1.071 885 T CB 0.541 69.427 68.868 0.030 0.000 0.988 885 T HN 0.711 nan 8.240 nan 0.000 0.543 886 D N 1.497 121.895 120.400 -0.004 0.000 2.117 886 D HA -0.122 4.518 4.640 0.000 0.000 0.198 886 D C 2.079 178.367 176.300 -0.019 0.000 0.982 886 D CA 1.181 55.174 54.000 -0.012 0.000 0.828 886 D CB -0.578 40.204 40.800 -0.030 0.000 0.967 886 D HN 0.567 nan 8.370 nan 0.000 0.464 887 L N 0.365 121.523 121.223 -0.108 0.000 2.072 887 L HA 0.076 4.416 4.340 0.000 0.000 0.205 887 L C 2.703 179.587 176.870 0.024 0.000 1.079 887 L CA 1.299 56.014 54.840 -0.210 0.000 0.752 887 L CB -0.815 40.702 42.059 -0.904 0.000 0.906 887 L HN 0.213 nan 8.230 nan 0.000 0.436 888 G N -0.191 108.689 108.800 0.135 0.000 2.501 888 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 888 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 888 G C 1.342 176.371 174.900 0.217 0.000 1.114 888 G CA 0.684 45.953 45.100 0.283 0.000 0.757 888 G HN 0.601 nan 8.290 nan 0.000 0.559 889 Q N -0.226 119.663 119.800 0.148 0.000 2.194 889 Q HA 0.135 4.475 4.340 0.000 0.000 0.214 889 Q C 0.266 176.338 176.000 0.120 0.000 0.838 889 Q CA -0.599 55.273 55.803 0.115 0.000 0.972 889 Q CB -0.033 28.742 28.738 0.062 0.000 1.131 889 Q HN 0.245 nan 8.270 nan 0.000 0.498 890 N N 1.623 120.428 118.700 0.174 0.000 2.492 890 N HA 0.018 4.758 4.740 0.000 0.000 0.262 890 N C 1.011 176.603 175.510 0.136 0.000 1.202 890 N CA 0.079 53.223 53.050 0.157 0.000 0.926 890 N CB 0.895 39.517 38.487 0.226 0.000 1.078 890 N HN 0.332 nan 8.380 nan 0.000 0.454 891 L N 3.056 124.316 121.223 0.062 0.000 2.081 891 L HA -0.229 4.111 4.340 0.000 0.000 0.212 891 L C 2.199 179.078 176.870 0.015 0.000 1.080 891 L CA 1.145 56.010 54.840 0.041 0.000 0.754 891 L CB -0.410 41.660 42.059 0.017 0.000 0.893 891 L HN 0.626 nan 8.230 nan 0.000 0.433 892 L N -1.831 119.348 121.223 -0.073 0.000 2.265 892 L HA -0.205 4.135 4.340 0.000 0.000 0.215 892 L C 1.859 178.546 176.870 -0.305 0.000 1.117 892 L CA 1.758 56.464 54.840 -0.223 0.000 0.782 892 L CB -0.716 41.113 42.059 -0.384 0.000 0.914 892 L HN 0.097 nan 8.230 nan 0.000 0.441 893 Y N -0.831 119.510 120.300 0.068 0.000 2.462 893 Y HA 0.464 5.014 4.550 0.000 0.000 0.261 893 Y C 2.245 178.256 175.900 0.185 0.000 1.146 893 Y CA 0.303 58.468 58.100 0.108 0.000 1.283 893 Y CB -0.177 38.357 38.460 0.122 0.000 1.090 893 Y HN 0.283 nan 8.280 nan 0.000 0.526 894 A N -0.137 122.820 122.820 0.228 0.000 1.963 894 A HA 0.030 4.350 4.320 0.000 0.000 0.207 894 A C 1.600 179.253 177.584 0.115 0.000 1.243 894 A CA 0.538 52.674 52.037 0.165 0.000 0.728 894 A CB -0.259 18.814 19.000 0.122 0.000 0.895 894 A HN 0.211 nan 8.150 nan 0.000 0.467 895 N N 0.853 119.606 118.700 0.089 0.000 2.573 895 N HA -0.005 4.735 4.740 0.000 0.000 0.187 895 N C 0.101 175.642 175.510 0.052 0.000 1.107 895 N CA 1.026 54.108 53.050 0.055 0.000 0.918 895 N CB -0.057 38.449 38.487 0.031 0.000 0.966 895 N HN 0.593 nan 8.380 nan 0.000 0.448 896 S N -2.283 113.475 115.700 0.096 0.000 2.587 896 S HA 0.735 5.205 4.470 0.000 0.000 0.269 896 S C -1.171 173.489 174.600 0.100 0.000 1.154 896 S CA -1.069 57.153 58.200 0.037 0.000 0.824 896 S CB 1.486 64.645 63.200 -0.069 0.000 1.118 896 S HN 0.083 nan 8.310 nan 0.000 0.462 897 A N 1.397 124.205 122.820 -0.019 0.000 2.304 897 A HA 0.775 5.095 4.320 0.000 0.000 0.301 897 A C -0.301 177.225 177.584 -0.096 0.000 1.132 897 A CA -0.451 51.632 52.037 0.076 0.000 0.819 897 A CB 0.277 19.292 19.000 0.026 0.000 1.094 897 A HN 0.835 nan 8.150 nan 0.000 0.492 898 H N -0.277 119.026 119.070 0.388 0.000 2.895 898 H HA 0.611 5.167 4.556 0.000 0.000 0.373 898 H C -0.258 175.376 175.328 0.510 0.000 1.174 898 H CA -0.215 56.072 56.048 0.399 0.000 1.144 898 H CB 2.225 32.204 29.762 0.363 0.000 1.793 898 H HN 0.875 nan 8.280 nan 0.000 0.551 899 A N 1.872 124.962 122.820 0.450 0.000 2.306 899 A HA 0.572 4.892 4.320 0.000 0.000 0.330 899 A C -0.992 176.730 177.584 0.229 0.000 1.146 899 A CA -0.538 51.694 52.037 0.325 0.000 0.827 899 A CB 1.023 20.134 19.000 0.186 0.000 1.178 899 A HN 0.440 nan 8.150 nan 0.000 0.490 900 L N 1.187 122.492 121.223 0.138 0.000 2.408 900 L HA 0.623 4.963 4.340 0.000 0.000 0.268 900 L C -1.607 175.226 176.870 -0.061 0.000 0.986 900 L CA -0.195 54.557 54.840 -0.148 0.000 0.820 900 L CB 2.187 44.038 42.059 -0.348 0.000 1.303 900 L HN 0.673 nan 8.230 nan 0.000 0.411 901 D N 6.355 126.667 120.400 -0.147 0.000 2.505 901 D HA 0.509 5.149 4.640 0.000 0.000 0.249 901 D C -0.870 175.330 176.300 -0.167 0.000 1.082 901 D CA -0.208 53.736 54.000 -0.093 0.000 0.839 901 D CB 2.324 43.092 40.800 -0.053 0.000 1.317 901 D HN 0.496 nan 8.370 nan 0.000 0.497 902 M N 0.981 120.492 119.600 -0.148 0.000 2.464 902 M HA 0.333 4.813 4.480 0.000 0.000 0.308 902 M C -0.842 175.324 176.300 -0.224 0.000 1.127 902 M CA -0.569 54.571 55.300 -0.267 0.000 0.913 902 M CB 2.665 35.108 32.600 -0.263 0.000 1.689 902 M HN 0.072 nan 8.290 nan 0.000 0.445 903 T N 2.761 117.105 114.554 -0.350 0.000 2.906 903 T HA 0.585 4.935 4.350 0.000 0.000 0.302 903 T C -1.027 173.470 174.700 -0.338 0.000 1.002 903 T CA -0.388 61.581 62.100 -0.218 0.000 0.988 903 T CB 0.481 69.271 68.868 -0.130 0.000 0.972 903 T HN 0.269 nan 8.240 nan 0.000 0.447 904 F N 1.708 121.578 119.950 -0.132 0.000 2.422 904 F HA 0.495 5.022 4.527 0.000 0.000 0.333 904 F C 0.912 176.674 175.800 -0.064 0.000 1.095 904 F CA -0.909 57.031 58.000 -0.100 0.000 1.038 904 F CB 1.368 40.328 39.000 -0.066 0.000 1.156 904 F HN 0.410 nan 8.300 nan 0.000 0.483 905 E N 2.661 122.940 120.200 0.131 0.000 2.185 905 E HA 0.551 4.901 4.350 0.000 0.000 0.261 905 E C -1.364 175.253 176.600 0.029 0.000 0.879 905 E CA -0.620 55.810 56.400 0.050 0.000 0.756 905 E CB 1.832 31.538 29.700 0.009 0.000 1.152 905 E HN 0.518 nan 8.360 nan 0.000 0.416 906 V N 0.516 120.400 119.914 -0.050 0.000 3.074 906 V HA 0.539 4.659 4.120 0.000 0.000 0.314 906 V C -0.339 175.690 176.094 -0.109 0.000 1.117 906 V CA -1.058 61.147 62.300 -0.159 0.000 1.014 906 V CB 1.990 33.608 31.823 -0.343 0.000 1.057 906 V HN 0.453 nan 8.190 nan 0.000 0.438 907 D N 2.605 122.932 120.400 -0.122 0.000 2.372 907 D HA 0.396 5.036 4.640 0.000 0.000 0.243 907 D C -2.513 173.745 176.300 -0.070 0.000 1.121 907 D CA -0.833 53.127 54.000 -0.067 0.000 0.898 907 D CB 1.165 41.937 40.800 -0.047 0.000 1.202 907 D HN 0.578 nan 8.370 nan 0.000 0.428 908 P HA 0.230 nan 4.420 nan 0.000 0.279 908 P C -0.487 176.804 177.300 -0.015 0.000 1.239 908 P CA -0.187 62.898 63.100 -0.026 0.000 0.789 908 P CB 0.727 32.423 31.700 -0.007 0.000 0.933 909 M N 1.933 121.523 119.600 -0.018 0.000 2.395 909 M HA 0.190 4.670 4.480 0.000 0.000 0.307 909 M C 0.249 176.553 176.300 0.007 0.000 1.091 909 M CA -0.653 54.647 55.300 -0.001 0.000 0.919 909 M CB 2.067 34.658 32.600 -0.014 0.000 1.662 909 M HN 0.245 nan 8.290 nan 0.000 0.440 910 D N 0.655 121.069 120.400 0.023 0.000 2.355 910 D HA -0.040 4.600 4.640 0.000 0.000 0.253 910 D C -0.219 176.089 176.300 0.015 0.000 1.187 910 D CA 0.260 54.273 54.000 0.022 0.000 0.900 910 D CB -0.119 40.701 40.800 0.033 0.000 0.915 910 D HN 0.683 nan 8.370 nan 0.000 0.516 911 E N -1.444 118.761 120.200 0.009 0.000 2.390 911 E HA 0.454 4.804 4.350 0.000 0.000 0.277 911 E C -3.176 173.420 176.600 -0.005 0.000 0.939 911 E CA -2.563 53.839 56.400 0.004 0.000 0.769 911 E CB 1.531 31.238 29.700 0.011 0.000 1.251 911 E HN -0.232 nan 8.360 nan 0.000 0.450 912 P HA 0.044 nan 4.420 nan 0.000 0.267 912 P C -0.440 176.851 177.300 -0.015 0.000 1.205 912 P CA 0.283 63.375 63.100 -0.014 0.000 0.765 912 P CB 0.762 32.452 31.700 -0.017 0.000 0.828 913 T N 0.749 115.293 114.554 -0.017 0.000 2.742 913 T HA 0.800 5.150 4.350 0.000 0.000 0.282 913 T C -0.679 174.017 174.700 -0.008 0.000 1.025 913 T CA -0.888 61.200 62.100 -0.019 0.000 1.020 913 T CB 0.909 69.753 68.868 -0.040 0.000 1.317 913 T HN 0.150 nan 8.240 nan 0.000 0.538 914 L N 0.641 121.867 121.223 0.006 0.000 2.422 914 L HA 0.621 4.961 4.340 0.000 0.000 0.264 914 L C -1.307 175.612 176.870 0.081 0.000 0.984 914 L CA -1.245 53.618 54.840 0.038 0.000 0.819 914 L CB 2.259 44.332 42.059 0.022 0.000 1.330 914 L HN 0.654 nan 8.230 nan 0.000 0.410 915 L N 2.847 124.137 121.223 0.112 0.000 2.255 915 L HA 0.393 4.733 4.340 0.000 0.000 0.289 915 L C -1.105 175.924 176.870 0.265 0.000 1.046 915 L CA -0.097 54.816 54.840 0.122 0.000 0.816 915 L CB 0.563 42.584 42.059 -0.063 0.000 1.197 915 L HN 0.433 nan 8.230 nan 0.000 0.427 916 Y N 6.057 126.430 120.300 0.121 0.000 2.404 916 Y HA 0.567 5.117 4.550 0.000 0.000 0.344 916 Y C -1.060 174.919 175.900 0.132 0.000 0.970 916 Y CA -1.289 56.895 58.100 0.139 0.000 1.180 916 Y CB 0.874 39.420 38.460 0.143 0.000 1.138 916 Y HN 0.357 nan 8.280 nan 0.000 0.510 917 V N 7.669 127.785 119.914 0.336 0.000 2.417 917 V HA 0.364 4.484 4.120 0.000 0.000 0.291 917 V C -0.250 175.857 176.094 0.022 0.000 1.024 917 V CA -1.003 61.351 62.300 0.091 0.000 0.861 917 V CB 1.624 33.528 31.823 0.135 0.000 0.985 917 V HN 0.577 nan 8.190 nan 0.000 0.436 918 L N 4.929 126.039 121.223 -0.189 0.000 2.265 918 L HA 0.529 4.869 4.340 0.000 0.000 0.289 918 L C -0.896 175.876 176.870 -0.162 0.000 1.033 918 L CA -0.090 54.668 54.840 -0.136 0.000 0.814 918 L CB 1.125 43.044 42.059 -0.233 0.000 1.203 918 L HN 0.524 nan 8.230 nan 0.000 0.423 919 F N 1.834 121.751 119.950 -0.055 0.000 2.335 919 F HA 0.225 4.752 4.527 0.000 0.000 0.365 919 F C 0.970 176.690 175.800 -0.133 0.000 1.122 919 F CA -0.602 57.357 58.000 -0.069 0.000 1.151 919 F CB 0.679 39.466 39.000 -0.356 0.000 1.282 919 F HN 0.446 nan 8.300 nan 0.000 0.513 920 E N 3.578 123.709 120.200 -0.115 0.000 2.351 920 E HA 0.343 4.693 4.350 0.000 0.000 0.266 920 E C -0.051 176.419 176.600 -0.216 0.000 1.031 920 E CA -0.213 56.032 56.400 -0.258 0.000 0.911 920 E CB 0.887 30.352 29.700 -0.392 0.000 0.986 920 E HN 0.484 nan 8.360 nan 0.000 0.446 921 V N -0.087 119.711 119.914 -0.194 0.000 3.065 921 V HA 0.562 4.682 4.120 0.000 0.000 0.312 921 V C -1.345 174.563 176.094 -0.309 0.000 1.412 921 V CA -1.157 61.087 62.300 -0.093 0.000 1.039 921 V CB 1.088 32.981 31.823 0.116 0.000 1.077 921 V HN 0.413 nan 8.190 nan 0.000 0.473 922 F N 1.202 121.148 119.950 -0.008 0.000 2.411 922 F HA 0.695 5.222 4.527 0.000 0.000 0.352 922 F C -0.066 175.726 175.800 -0.013 0.000 1.123 922 F CA -0.182 57.801 58.000 -0.029 0.000 1.044 922 F CB 1.295 40.291 39.000 -0.007 0.000 1.135 922 F HN 0.577 nan 8.300 nan 0.000 0.461 923 D N 3.980 124.403 120.400 0.039 0.000 2.438 923 D HA 0.474 5.114 4.640 0.000 0.000 0.257 923 D C -1.085 175.210 176.300 -0.008 0.000 1.148 923 D CA 0.024 54.020 54.000 -0.007 0.000 0.902 923 D CB 1.107 41.786 40.800 -0.201 0.000 1.062 923 D HN 0.187 nan 8.370 nan 0.000 0.518 924 V N 2.191 122.229 119.914 0.207 0.000 3.001 924 V HA 0.672 4.792 4.120 0.000 0.000 0.314 924 V C -0.103 176.154 176.094 0.272 0.000 1.099 924 V CA -0.852 61.606 62.300 0.264 0.000 0.989 924 V CB 2.359 34.287 31.823 0.174 0.000 1.040 924 V HN 0.256 nan 8.190 nan 0.000 0.434 925 V N 1.805 121.832 119.914 0.188 0.000 2.841 925 V HA 0.636 4.756 4.120 0.000 0.000 0.310 925 V C -0.517 175.552 176.094 -0.041 0.000 1.090 925 V CA -0.848 61.388 62.300 -0.107 0.000 0.930 925 V CB 2.112 33.690 31.823 -0.408 0.000 1.014 925 V HN 0.848 nan 8.190 nan 0.000 0.425 926 R N 1.972 122.422 120.500 -0.084 0.000 2.439 926 R HA 0.727 5.067 4.340 0.000 0.000 0.310 926 R C -1.749 174.543 176.300 -0.013 0.000 0.955 926 R CA -0.367 55.709 56.100 -0.041 0.000 0.853 926 R CB 1.996 32.278 30.300 -0.030 0.000 1.171 926 R HN 0.629 nan 8.270 nan 0.000 0.449 927 V N 4.675 124.606 119.914 0.028 0.000 2.394 927 V HA 0.293 4.413 4.120 0.000 0.000 0.282 927 V C 0.047 176.214 176.094 0.122 0.000 1.031 927 V CA -0.617 61.728 62.300 0.076 0.000 0.881 927 V CB 1.220 33.108 31.823 0.108 0.000 0.982 927 V HN 0.668 nan 8.190 nan 0.000 0.451 928 H N 5.511 124.589 119.070 0.015 0.000 2.466 928 H HA 0.554 5.110 4.556 0.000 0.000 0.338 928 H C -0.429 174.914 175.328 0.024 0.000 1.091 928 H CA -0.831 55.223 56.048 0.010 0.000 1.207 928 H CB 1.373 31.140 29.762 0.008 0.000 1.466 928 H HN 0.571 nan 8.280 nan 0.000 0.493 929 R N 5.889 126.168 120.500 -0.368 0.000 2.738 929 R HA 0.186 4.526 4.340 0.000 0.000 0.280 929 R C -1.997 174.068 176.300 -0.392 0.000 1.456 929 R CA -1.693 54.256 56.100 -0.252 0.000 1.612 929 R CB 0.484 30.738 30.300 -0.076 0.000 1.286 929 R HN 0.501 nan 8.270 nan 0.000 0.660 930 P HA -0.146 nan 4.420 nan 0.000 0.216 930 P C -0.520 176.344 177.300 -0.727 0.000 1.153 930 P CA 1.505 64.199 63.100 -0.677 0.000 0.858 930 P CB 0.268 31.656 31.700 -0.520 0.000 0.789 931 H N -3.848 115.185 119.070 -0.061 0.000 2.977 931 H HA 0.387 4.943 4.556 0.000 0.000 0.350 931 H C -0.006 175.316 175.328 -0.010 0.000 1.238 931 H CA -1.118 54.915 56.048 -0.024 0.000 1.124 931 H CB 0.864 30.619 29.762 -0.011 0.000 1.866 931 H HN -0.246 nan 8.280 nan 0.000 0.550 932 R N 1.022 121.605 120.500 0.138 0.000 2.494 932 R HA 0.061 4.401 4.340 0.000 0.000 0.291 932 R C 0.309 176.609 176.300 0.000 0.000 0.953 932 R CA 1.408 57.541 56.100 0.055 0.000 1.098 932 R CB -0.515 29.803 30.300 0.031 0.000 0.911 932 R HN 1.097 nan 8.270 nan 0.000 0.407 933 G N 2.602 111.353 108.800 -0.082 0.000 2.273 933 G HA2 -0.247 3.713 3.960 0.000 0.000 0.280 933 G HA3 -0.247 3.713 3.960 0.000 0.000 0.280 933 G C -0.388 174.468 174.900 -0.074 0.000 1.047 933 G CA 0.274 45.206 45.100 -0.279 0.000 0.869 933 G HN 0.489 nan 8.290 nan 0.000 0.502 934 V N 1.114 121.076 119.914 0.080 0.000 2.488 934 V HA 0.564 4.684 4.120 0.000 0.000 0.293 934 V C 0.167 176.353 176.094 0.152 0.000 1.027 934 V CA -0.762 61.610 62.300 0.120 0.000 0.862 934 V CB 1.646 33.545 31.823 0.126 0.000 1.008 934 V HN 0.403 nan 8.190 nan 0.000 0.428 935 I N 3.198 123.876 120.570 0.180 0.000 2.411 935 I HA 0.618 4.788 4.170 0.000 0.000 0.284 935 I C -0.290 175.913 176.117 0.143 0.000 1.012 935 I CA -0.528 60.865 61.300 0.155 0.000 1.119 935 I CB 1.672 39.771 38.000 0.165 0.000 1.261 935 I HN 0.505 nan 8.210 nan 0.000 0.448 936 E N 4.559 124.845 120.200 0.143 0.000 2.183 936 E HA 0.571 4.921 4.350 0.000 0.000 0.271 936 E C -0.594 176.095 176.600 0.148 0.000 0.919 936 E CA -0.748 55.748 56.400 0.160 0.000 0.781 936 E CB 2.445 32.260 29.700 0.193 0.000 1.140 936 E HN 0.710 nan 8.360 nan 0.000 0.402 937 T N -1.595 113.044 114.554 0.141 0.000 2.908 937 T HA 0.625 4.975 4.350 0.000 0.000 0.290 937 T C -0.558 174.206 174.700 0.107 0.000 1.034 937 T CA -0.825 61.330 62.100 0.092 0.000 1.010 937 T CB 1.330 70.249 68.868 0.085 0.000 1.068 937 T HN 0.138 nan 8.240 nan 0.000 0.481 938 V N 2.682 122.606 119.914 0.018 0.000 2.380 938 V HA 0.379 4.499 4.120 0.000 0.000 0.286 938 V C -1.389 174.728 176.094 0.039 0.000 1.015 938 V CA -0.905 61.438 62.300 0.072 0.000 0.834 938 V CB 0.416 32.265 31.823 0.044 0.000 1.009 938 V HN 0.886 nan 8.190 nan 0.000 0.428 939 Y N 4.944 125.313 120.300 0.116 0.000 2.334 939 Y HA 0.745 5.295 4.550 0.000 0.000 0.328 939 Y C -0.107 175.871 175.900 0.130 0.000 1.130 939 Y CA -0.823 57.368 58.100 0.152 0.000 1.163 939 Y CB 1.761 40.327 38.460 0.177 0.000 1.207 939 Y HN 0.527 nan 8.280 nan 0.000 0.471 940 L N 4.482 125.880 121.223 0.293 0.000 2.516 940 L HA 0.514 4.854 4.340 0.000 0.000 0.267 940 L C -1.384 175.616 176.870 0.216 0.000 0.957 940 L CA -0.805 54.157 54.840 0.203 0.000 0.860 940 L CB 1.570 43.704 42.059 0.125 0.000 1.265 940 L HN 0.650 nan 8.230 nan 0.000 0.403 941 R N 3.582 124.198 120.500 0.193 0.000 2.371 941 R HA 0.729 5.069 4.340 0.000 0.000 0.312 941 R C -1.495 174.907 176.300 0.171 0.000 0.980 941 R CA -0.033 56.182 56.100 0.191 0.000 0.867 941 R CB 1.147 31.562 30.300 0.192 0.000 1.163 941 R HN 0.837 nan 8.270 nan 0.000 0.492 942 T N 2.260 116.933 114.554 0.198 0.000 2.912 942 T HA 0.507 4.857 4.350 0.000 0.000 0.299 942 T C -2.729 172.143 174.700 0.287 0.000 1.052 942 T CA -1.888 60.325 62.100 0.188 0.000 0.996 942 T CB 2.322 71.260 68.868 0.117 0.000 1.070 942 T HN 0.226 nan 8.240 nan 0.000 0.465 943 P HA 0.437 nan 4.420 nan 0.000 0.312 943 P C -0.234 177.208 177.300 0.236 0.000 1.307 943 P CA -0.582 62.608 63.100 0.149 0.000 0.738 943 P CB -0.130 31.569 31.700 -0.002 0.000 1.422 944 F N -3.048 116.793 119.950 -0.182 0.000 2.905 944 F HA -0.184 4.343 4.527 0.000 0.000 0.291 944 F C 0.199 175.961 175.800 -0.063 0.000 1.002 944 F CA 0.189 58.093 58.000 -0.160 0.000 0.978 944 F CB -2.785 36.128 39.000 -0.146 0.000 1.036 944 F HN -0.077 nan 8.300 nan 0.000 0.820 945 S N 0.062 115.781 115.700 0.032 0.000 2.562 945 S HA 0.644 5.114 4.470 0.000 0.000 0.281 945 S C 0.744 175.378 174.600 0.057 0.000 1.333 945 S CA -0.330 57.904 58.200 0.056 0.000 1.052 945 S CB 1.405 64.617 63.200 0.020 0.000 0.884 945 S HN 0.726 nan 8.310 nan 0.000 0.506 946 A N 0.000 122.868 122.820 0.080 0.000 2.254 946 A HA 0.000 4.320 4.320 0.000 0.000 0.244 946 A CA 0.000 52.076 52.037 0.066 0.000 0.836 946 A CB 0.000 19.046 19.000 0.077 0.000 0.831 946 A HN 0.000 nan 8.150 nan 0.000 0.486