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_F 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 54.518 55.300 -1.304 0.000 0.988 5 M CB 0.000 32.160 32.600 -0.733 0.000 1.302 6 M N 0.553 119.712 119.600 -0.735 0.000 5.905 6 M HA -0.276 4.204 4.480 -0.000 0.000 0.326 6 M C -0.286 175.923 176.300 -0.151 0.000 0.705 6 M CA 2.896 58.019 55.300 -0.296 0.000 0.949 6 M CB -2.937 29.571 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 1.450 178.761 177.300 0.018 0.000 1.151 7 P CA 2.444 65.513 63.100 -0.052 0.000 0.953 7 P CB -0.476 31.172 31.700 -0.086 0.000 0.789 8 Q N -2.185 117.618 119.800 0.003 0.000 2.096 8 Q HA -0.196 4.144 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 1.534 57.412 55.803 0.126 0.000 0.850 8 Q CB -0.661 28.154 28.738 0.128 0.000 0.901 8 Q HN 0.338 nan 8.270 nan 0.000 0.422 9 W N 1.252 122.561 121.300 0.014 0.000 2.333 9 W HA -0.165 4.495 4.660 -0.000 0.000 0.316 9 W C 2.633 179.142 176.519 -0.017 0.000 1.215 9 W CA 1.341 58.691 57.345 0.008 0.000 1.278 9 W CB -1.249 28.222 29.460 0.018 0.000 1.154 9 W HN 0.125 nan 8.180 nan 0.000 0.486 10 S N -1.039 114.790 115.700 0.215 0.000 2.368 10 S HA -0.240 4.230 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 1.306 59.548 58.200 0.069 0.000 0.988 10 S CB -1.306 61.944 63.200 0.083 0.000 0.838 10 S HN 0.264 nan 8.310 nan 0.000 0.462 11 Y N 2.131 122.316 120.300 -0.192 0.000 2.128 11 Y HA -0.070 4.480 4.550 -0.000 0.000 0.284 11 Y C 2.115 177.740 175.900 -0.459 0.000 1.154 11 Y CA 1.433 59.354 58.100 -0.298 0.000 1.149 11 Y CB -0.241 38.134 38.460 -0.142 0.000 0.976 11 Y HN 0.111 nan 8.280 nan 0.000 0.505 12 M N -0.728 118.770 119.600 -0.169 0.000 2.618 12 M HA -0.017 4.463 4.480 -0.000 0.000 0.240 12 M C 0.070 176.283 176.300 -0.145 0.000 1.123 12 M CA 0.884 56.094 55.300 -0.151 0.000 1.060 12 M CB -1.120 31.510 32.600 0.050 0.000 1.535 12 M HN 0.422 nan 8.290 nan 0.000 0.507 13 H N -1.968 117.065 119.070 -0.061 0.000 3.109 13 H HA -0.146 4.410 4.556 -0.000 0.000 0.245 13 H C 1.337 176.662 175.328 -0.005 0.000 1.187 13 H CA 0.827 56.844 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 0.367 nan 8.280 nan 0.000 0.328 14 I N 0.456 121.056 120.570 0.050 0.000 2.493 14 I HA -0.140 4.030 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 1.514 62.773 61.300 -0.068 0.000 1.445 14 I CB 0.195 38.048 38.000 -0.244 0.000 1.086 14 I HN 0.421 nan 8.210 nan 0.000 0.433 15 S N -1.478 114.263 115.700 0.069 0.000 2.705 15 S HA 0.828 5.298 4.470 -0.000 0.000 0.280 15 S C -0.122 174.585 174.600 0.178 0.000 1.174 15 S CA -0.159 58.114 58.200 0.122 0.000 0.823 15 S CB 1.518 64.842 63.200 0.206 0.000 1.162 15 S HN 0.486 nan 8.310 nan 0.000 0.487 16 G N 0.714 109.618 108.800 0.172 0.000 2.466 16 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.218 16 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.218 16 G C -0.958 174.055 174.900 0.188 0.000 1.237 16 G CA -0.168 45.039 45.100 0.178 0.000 0.954 16 G HN 1.047 nan 8.290 nan 0.000 0.580 17 Q N 0.464 120.408 119.800 0.240 0.000 2.382 17 Q HA 0.503 4.843 4.340 -0.000 0.000 0.229 17 Q C -0.602 175.567 176.000 0.281 0.000 1.006 17 Q CA -0.424 55.522 55.803 0.238 0.000 0.916 17 Q CB 0.687 29.571 28.738 0.243 0.000 1.235 17 Q HN 0.511 nan 8.270 nan 0.000 0.512 18 D N -0.361 120.087 120.400 0.081 0.000 2.283 18 D HA 0.193 4.833 4.640 -0.000 0.000 0.248 18 D C 0.594 176.611 176.300 -0.472 0.000 1.072 18 D CA -0.043 53.912 54.000 -0.076 0.000 0.929 18 D CB 1.394 42.145 40.800 -0.082 0.000 1.182 18 D HN 0.648 nan 8.370 nan 0.000 0.433 19 A N 1.442 123.828 122.820 -0.723 0.000 1.958 19 A HA -0.249 4.071 4.320 -0.000 0.000 0.221 19 A C 2.027 179.128 177.584 -0.806 0.000 1.178 19 A CA 2.612 53.902 52.037 -1.244 0.000 0.642 19 A CB -0.772 17.851 19.000 -0.629 0.000 0.816 19 A HN 0.586 nan 8.150 nan 0.000 0.453 20 S N -0.086 115.353 115.700 -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 -0.226 0.000 1.016 20 S CA 1.500 59.534 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 0.336 120.403 120.200 -0.222 0.000 2.251 21 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 21 E C 1.862 178.438 176.600 -0.039 0.000 0.964 21 E CA 0.703 57.045 56.400 -0.096 0.000 0.868 21 E CB -0.301 29.385 29.700 -0.023 0.000 0.828 21 E HN 0.865 nan 8.360 nan 0.000 0.481 22 Y N 0.891 121.163 120.300 -0.047 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 -0.155 57.930 58.100 -0.025 0.000 1.203 22 Y CB -0.511 37.974 38.460 0.041 0.000 1.026 22 Y HN -0.205 nan 8.280 nan 0.000 0.549 23 L N 1.851 122.968 121.223 -0.176 0.000 2.472 23 L HA 0.174 4.514 4.340 -0.000 0.000 0.260 23 L C 1.009 177.822 176.870 -0.095 0.000 1.209 23 L CA -0.285 54.465 54.840 -0.150 0.000 0.817 23 L CB 0.452 42.256 42.059 -0.424 0.000 1.106 23 L HN 0.344 nan 8.230 nan 0.000 0.479 24 S N 0.817 116.473 115.700 -0.075 0.000 2.585 24 S HA 0.177 4.647 4.470 -0.000 0.000 0.273 24 S C -1.797 172.764 174.600 -0.064 0.000 1.339 24 S CA -1.071 57.101 58.200 -0.046 0.000 1.028 24 S CB 1.029 64.213 63.200 -0.027 0.000 0.906 24 S HN 0.402 nan 8.310 nan 0.000 0.528 25 P HA 0.033 nan 4.420 nan 0.000 0.217 25 P C 1.702 178.991 177.300 -0.017 0.000 1.150 25 P CA 1.583 64.663 63.100 -0.034 0.000 0.832 25 P CB -0.550 31.139 31.700 -0.019 0.000 0.787 26 G N 0.330 109.127 108.800 -0.006 0.000 2.418 26 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 26 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 26 G C 1.481 176.408 174.900 0.044 0.000 1.158 26 G CA 0.642 45.756 45.100 0.023 0.000 0.771 26 G HN 0.240 nan 8.290 nan 0.000 0.545 27 L N 0.793 122.008 121.223 -0.013 0.000 2.046 27 L HA 0.011 4.351 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 1.416 56.236 54.840 -0.033 0.000 0.747 27 L CB -0.590 41.391 42.059 -0.130 0.000 0.896 27 L HN 0.077 nan 8.230 nan 0.000 0.432 28 V N -0.093 119.780 119.914 -0.068 0.000 2.287 28 V HA -0.374 3.746 4.120 -0.000 0.000 0.248 28 V C 3.109 179.197 176.094 -0.011 0.000 1.053 28 V CA 2.379 64.632 62.300 -0.079 0.000 1.027 28 V CB -1.407 30.353 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 -0.320 4.020 4.340 -0.000 0.000 0.204 29 Q C 2.056 178.091 176.000 0.059 0.000 0.986 29 Q CA 2.355 58.174 55.803 0.028 0.000 0.843 29 Q CB -1.185 27.574 28.738 0.035 0.000 0.904 29 Q HN 0.696 nan 8.270 nan 0.000 0.420 30 F N 1.369 121.300 119.950 -0.033 0.000 2.095 30 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 30 F C 2.590 178.373 175.800 -0.028 0.000 1.104 30 F CA 1.711 59.700 58.000 -0.017 0.000 1.232 30 F CB -0.668 38.331 39.000 -0.002 0.000 0.987 30 F HN 0.350 nan 8.300 nan 0.000 0.475 31 A N 0.591 123.583 122.820 0.287 0.000 1.883 31 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 31 A C 2.424 180.002 177.584 -0.009 0.000 1.186 31 A CA 2.991 55.125 52.037 0.162 0.000 0.624 31 A CB -1.556 17.496 19.000 0.086 0.000 0.822 31 A HN 0.479 nan 8.150 nan 0.000 0.444 32 R N -0.817 119.662 120.500 -0.034 0.000 2.096 32 R HA 0.164 4.504 4.340 -0.000 0.000 0.235 32 R C 2.485 178.718 176.300 -0.112 0.000 1.127 32 R CA 2.215 58.275 56.100 -0.067 0.000 0.968 32 R CB -1.646 28.623 30.300 -0.051 0.000 0.861 32 R HN 0.966 nan 8.270 nan 0.000 0.440 33 A N 0.665 123.390 122.820 -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 2.044 53.960 52.037 -0.202 0.000 0.645 33 A CB -0.493 18.383 19.000 -0.207 0.000 0.816 33 A HN 0.675 nan 8.150 nan 0.000 0.447 34 T N -3.341 110.912 114.554 -0.502 0.000 3.067 34 T HA 0.238 4.588 4.350 -0.000 0.000 0.257 34 T C 1.709 176.011 174.700 -0.663 0.000 1.105 34 T CA 1.488 63.080 62.100 -0.847 0.000 1.104 34 T CB -0.351 68.129 68.868 -0.647 0.000 0.925 34 T HN 0.616 nan 8.240 nan 0.000 0.498 35 E N 2.520 122.532 120.200 -0.314 0.000 2.170 35 E HA -0.348 4.002 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 2.916 59.207 56.400 -0.182 0.000 0.930 35 E CB -2.265 27.369 29.700 -0.110 0.000 0.806 35 E HN 0.957 nan 8.360 nan 0.000 0.478 36 T N -2.330 112.145 114.554 -0.130 0.000 3.007 36 T HA -0.032 4.318 4.350 -0.000 0.000 0.270 36 T C 1.811 176.561 174.700 0.083 0.000 1.107 36 T CA 1.627 63.723 62.100 -0.007 0.000 1.118 36 T CB -0.475 68.428 68.868 0.059 0.000 0.889 36 T HN 0.916 nan 8.240 nan 0.000 0.506 37 Y N -1.650 118.681 120.300 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 -2.072 56.085 58.100 0.095 0.000 1.258 37 Y CB 0.643 39.144 38.460 0.069 0.000 1.237 37 Y HN 0.138 nan 8.280 nan 0.000 0.517 38 F N 2.039 121.896 119.950 -0.156 0.000 3.240 38 F HA 0.463 4.990 4.527 -0.000 0.000 0.370 38 F C -0.854 174.906 175.800 -0.067 0.000 1.271 38 F CA -1.395 56.580 58.000 -0.042 0.000 1.224 38 F CB 0.936 39.967 39.000 0.052 0.000 1.624 38 F HN -0.007 nan 8.300 nan 0.000 0.658 39 S N 5.860 121.334 115.700 -0.376 0.000 2.525 39 S HA 0.591 5.061 4.470 -0.000 0.000 0.278 39 S C 0.142 174.589 174.600 -0.255 0.000 1.234 39 S CA -0.537 57.517 58.200 -0.243 0.000 1.058 39 S CB 1.255 64.370 63.200 -0.141 0.000 0.983 39 S HN 0.754 nan 8.310 nan 0.000 0.495 40 L N 2.959 124.163 121.223 -0.032 0.000 2.766 40 L HA 0.263 4.603 4.340 -0.000 0.000 0.242 40 L C 2.712 179.677 176.870 0.159 0.000 1.136 40 L CA 0.410 55.311 54.840 0.101 0.000 0.933 40 L CB -1.172 41.087 42.059 0.332 0.000 1.241 40 L HN 0.870 nan 8.230 nan 0.000 0.522 41 N N 1.722 120.466 118.700 0.074 0.000 2.094 41 N HA -0.255 4.486 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 1.917 55.015 53.050 0.080 0.000 0.857 41 N CB -0.916 37.578 38.487 0.012 0.000 1.013 41 N HN 0.572 nan 8.380 nan 0.000 0.426 42 N N 0.503 119.175 118.700 -0.045 0.000 2.501 42 N HA -0.072 4.668 4.740 -0.000 0.000 0.195 42 N C 0.377 175.793 175.510 -0.157 0.000 1.213 42 N CA 0.585 53.587 53.050 -0.080 0.000 0.864 42 N CB -0.011 38.427 38.487 -0.082 0.000 0.999 42 N HN 0.706 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 -0.233 55.706 56.287 -0.580 0.000 1.099 43 K CB 0.214 32.304 32.500 -0.683 0.000 0.863 43 K HN 0.008 nan 8.250 nan 0.000 0.529 44 F N 2.994 122.939 119.950 -0.008 0.000 2.539 44 F HA 0.338 4.865 4.527 -0.000 0.000 0.328 44 F C 0.087 175.891 175.800 0.006 0.000 1.148 44 F CA -1.262 56.748 58.000 0.016 0.000 0.940 44 F CB 1.361 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 1.577 122.180 120.500 0.172 0.000 2.490 45 R HA 0.444 4.784 4.340 -0.000 0.000 0.280 45 R C -0.987 175.387 176.300 0.122 0.000 1.077 45 R CA -0.501 55.665 56.100 0.111 0.000 1.065 45 R CB 0.604 30.954 30.300 0.084 0.000 1.003 45 R HN 0.445 nan 8.270 nan 0.000 0.470 46 N N 3.546 122.291 118.700 0.076 0.000 2.524 46 N HA 0.277 5.017 4.740 -0.000 0.000 0.261 46 N C -2.440 173.106 175.510 0.059 0.000 0.998 46 N CA -1.450 51.636 53.050 0.061 0.000 0.915 46 N CB 1.818 40.311 38.487 0.009 0.000 1.187 46 N HN 0.542 nan 8.380 nan 0.000 0.507 47 P HA 0.131 nan 4.420 nan 0.000 0.272 47 P C -0.427 176.892 177.300 0.032 0.000 1.223 47 P CA -0.109 63.028 63.100 0.061 0.000 0.784 47 P CB 0.507 32.263 31.700 0.094 0.000 0.923 48 T N -1.362 113.195 114.554 0.005 0.000 2.906 48 T HA 0.495 4.845 4.350 -0.000 0.000 0.302 48 T C -0.581 174.108 174.700 -0.018 0.000 1.002 48 T CA -0.684 61.413 62.100 -0.003 0.000 0.988 48 T CB 0.305 69.168 68.868 -0.009 0.000 0.972 48 T HN 0.108 nan 8.240 nan 0.000 0.447 49 V N 2.840 122.751 119.914 -0.005 0.000 2.384 49 V HA 0.774 4.894 4.120 -0.000 0.000 0.287 49 V C 0.851 176.943 176.094 -0.004 0.000 1.020 49 V CA -1.043 61.251 62.300 -0.009 0.000 0.850 49 V CB 1.121 32.955 31.823 0.018 0.000 0.987 49 V HN 1.231 nan 8.190 nan 0.000 0.436 50 A N 7.106 129.920 122.820 -0.011 0.000 2.386 50 A HA 0.699 5.019 4.320 -0.000 0.000 0.248 50 A C -2.013 175.567 177.584 -0.007 0.000 1.082 50 A CA -0.936 51.097 52.037 -0.005 0.000 0.789 50 A CB -0.289 18.708 19.000 -0.004 0.000 1.025 50 A HN 0.712 nan 8.150 nan 0.000 0.490 51 P HA 0.234 nan 4.420 nan 0.000 0.275 51 P C 0.565 177.830 177.300 -0.059 0.000 1.228 51 P CA 0.056 63.111 63.100 -0.074 0.000 0.786 51 P CB 0.729 32.365 31.700 -0.107 0.000 0.927 52 T N -2.568 111.937 114.554 -0.081 0.000 3.023 52 T HA 0.163 4.513 4.350 -0.000 0.000 0.253 52 T C 0.363 175.112 174.700 0.081 0.000 1.038 52 T CA 0.061 62.178 62.100 0.028 0.000 0.962 52 T CB -0.657 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 -1.912 117.189 119.070 0.052 0.000 3.016 53 H HA 0.630 5.186 4.556 -0.000 0.000 0.362 53 H C -0.933 174.430 175.328 0.059 0.000 1.233 53 H CA -0.807 55.271 56.048 0.050 0.000 1.124 53 H CB 0.537 30.324 29.762 0.042 0.000 1.850 53 H HN -0.128 nan 8.280 nan 0.000 0.549 54 D N 0.435 120.958 120.400 0.204 0.000 2.870 54 D HA -0.148 4.492 4.640 -0.000 0.000 0.228 54 D C 0.226 176.597 176.300 0.118 0.000 1.147 54 D CA 1.131 55.228 54.000 0.161 0.000 0.757 54 D CB -1.410 39.512 40.800 0.203 0.000 1.091 54 D HN 0.372 nan 8.370 nan 0.000 0.429 55 V N -1.316 118.672 119.914 0.125 0.000 3.161 55 V HA 0.094 4.214 4.120 -0.000 0.000 0.221 55 V C 1.094 177.344 176.094 0.259 0.000 1.296 55 V CA 1.215 63.625 62.300 0.183 0.000 1.306 55 V CB 1.039 32.952 31.823 0.149 0.000 1.171 55 V HN 0.119 nan 8.190 nan 0.000 0.513 56 T N 1.018 115.657 114.554 0.142 0.000 2.932 56 T HA 0.496 4.846 4.350 -0.000 0.000 0.289 56 T C -0.159 174.566 174.700 0.042 0.000 1.039 56 T CA -0.219 61.923 62.100 0.071 0.000 1.024 56 T CB 1.811 70.667 68.868 -0.020 0.000 1.090 56 T HN 0.384 nan 8.240 nan 0.000 0.496 57 T N 1.068 115.624 114.554 0.004 0.000 2.882 57 T HA 0.270 4.620 4.350 -0.000 0.000 0.287 57 T C 0.323 174.979 174.700 -0.072 0.000 1.014 57 T CA -0.690 61.367 62.100 -0.073 0.000 1.049 57 T CB 0.747 69.533 68.868 -0.137 0.000 1.001 57 T HN 0.442 nan 8.240 nan 0.000 0.525 58 D N 0.002 120.340 120.400 -0.103 0.000 2.423 58 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 58 D C 0.673 176.928 176.300 -0.076 0.000 1.068 58 D CA 0.166 54.127 54.000 -0.066 0.000 0.860 58 D CB 0.388 41.158 40.800 -0.050 0.000 0.992 58 D HN 0.365 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 0.306 4.646 4.340 -0.000 0.000 0.269 59 R C 0.462 176.730 176.300 -0.054 0.000 1.089 59 R CA -0.193 55.843 56.100 -0.107 0.000 1.177 59 R CB 0.468 30.662 30.300 -0.177 0.000 1.091 59 R HN -0.199 nan 8.270 nan 0.000 0.540 60 S N 0.856 116.542 115.700 -0.024 0.000 2.533 60 S HA 0.062 4.532 4.470 -0.000 0.000 0.282 60 S C -0.635 173.967 174.600 0.004 0.000 1.304 60 S CA 0.032 58.226 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 3.215 123.014 119.800 -0.002 0.000 2.518 61 Q HA 0.219 4.559 4.340 -0.000 0.000 0.254 61 Q C -1.349 174.644 176.000 -0.012 0.000 0.962 61 Q CA -0.769 55.033 55.803 -0.003 0.000 0.982 61 Q CB 0.782 29.540 28.738 0.033 0.000 1.516 61 Q HN 0.583 nan 8.270 nan 0.000 0.426 62 R N 3.017 123.498 120.500 -0.032 0.000 2.539 62 R HA 0.252 4.592 4.340 -0.000 0.000 0.275 62 R C 0.728 177.044 176.300 0.027 0.000 1.077 62 R CA 0.115 56.208 56.100 -0.012 0.000 1.097 62 R CB 0.619 30.898 30.300 -0.035 0.000 1.018 62 R HN 0.729 nan 8.270 nan 0.000 0.483 63 L N 0.441 121.706 121.223 0.070 0.000 2.202 63 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 63 L C 0.673 177.683 176.870 0.233 0.000 1.083 63 L CA 1.040 55.960 54.840 0.133 0.000 0.790 63 L CB 0.043 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 1.407 116.072 114.554 0.184 0.000 2.824 64 T HA 0.608 4.958 4.350 -0.000 0.000 0.282 64 T C -0.497 174.286 174.700 0.138 0.000 0.993 64 T CA -0.364 61.873 62.100 0.228 0.000 0.967 64 T CB 2.178 71.186 68.868 0.234 0.000 0.960 64 T HN -0.092 nan 8.240 nan 0.000 0.441 65 L N 3.090 124.388 121.223 0.125 0.000 2.342 65 L HA 0.727 5.067 4.340 -0.000 0.000 0.271 65 L C 0.132 176.758 176.870 -0.406 0.000 1.008 65 L CA -1.195 53.546 54.840 -0.166 0.000 0.818 65 L CB 2.025 43.937 42.059 -0.245 0.000 1.296 65 L HN 0.552 nan 8.230 nan 0.000 0.427 66 R N 1.394 121.491 120.500 -0.673 0.000 2.561 66 R HA 0.648 4.988 4.340 -0.000 0.000 0.297 66 R C -1.980 173.864 176.300 -0.760 0.000 0.969 66 R CA -0.489 55.102 56.100 -0.849 0.000 0.879 66 R CB 1.448 31.122 30.300 -1.044 0.000 1.178 66 R HN 0.300 nan 8.270 nan 0.000 0.445 67 F N 3.510 123.325 119.950 -0.225 0.000 2.469 67 F HA 0.464 4.991 4.527 -0.000 0.000 0.332 67 F C 0.158 176.057 175.800 0.164 0.000 1.103 67 F CA -1.212 56.793 58.000 0.009 0.000 0.979 67 F CB 1.447 40.502 39.000 0.091 0.000 1.137 67 F HN 0.258 nan 8.300 nan 0.000 0.463 68 I N 4.036 124.826 120.570 0.366 0.000 2.488 68 I HA 0.333 4.503 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 -3.555 57.924 61.300 0.298 0.000 1.250 68 I CB 0.796 38.877 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 62.839 63.100 -0.380 0.000 0.771 69 P CB 1.160 32.548 31.700 -0.520 0.000 0.864 70 V N 1.501 121.313 119.914 -0.170 0.000 2.649 70 V HA -0.039 4.081 4.120 -0.000 0.000 0.248 70 V C 0.547 176.584 176.094 -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 -1.247 119.059 120.400 -0.156 0.000 2.977 71 D HA 0.582 5.222 4.640 -0.000 0.000 0.220 71 D C -0.422 175.766 176.300 -0.187 0.000 1.267 71 D CA -0.081 53.834 54.000 -0.142 0.000 0.884 71 D CB 1.401 42.133 40.800 -0.113 0.000 1.667 71 D HN 0.178 nan 8.370 nan 0.000 0.536 72 R N 2.016 122.413 120.500 -0.171 0.000 2.744 72 R HA 0.845 5.185 4.340 -0.000 0.000 0.279 72 R C -0.796 175.338 176.300 -0.277 0.000 0.977 72 R CA -0.826 55.142 56.100 -0.219 0.000 0.906 72 R CB 1.199 31.405 30.300 -0.156 0.000 1.197 72 R HN 0.577 nan 8.270 nan 0.000 0.463 73 E N 1.816 121.763 120.200 -0.420 0.000 2.502 73 E HA 0.144 4.494 4.350 -0.000 0.000 0.261 73 E C -1.661 174.608 176.600 -0.553 0.000 0.974 73 E CA -0.873 55.296 56.400 -0.386 0.000 0.795 73 E CB 1.831 31.379 29.700 -0.254 0.000 1.385 73 E HN 0.629 nan 8.360 nan 0.000 0.400 74 D N 2.330 122.402 120.400 -0.547 0.000 2.344 74 D HA 0.141 4.781 4.640 -0.000 0.000 0.253 74 D C -0.447 175.734 176.300 -0.197 0.000 1.255 74 D CA 0.485 54.232 54.000 -0.421 0.000 0.894 74 D CB 0.933 41.615 40.800 -0.197 0.000 1.067 74 D HN 0.155 nan 8.370 nan 0.000 0.492 75 T N 1.512 115.970 114.554 -0.160 0.000 2.889 75 T HA 0.528 4.878 4.350 -0.000 0.000 0.278 75 T C 1.417 176.028 174.700 -0.149 0.000 0.995 75 T CA -0.031 61.960 62.100 -0.181 0.000 0.966 75 T CB 1.411 70.116 68.868 -0.271 0.000 1.237 75 T HN 0.301 nan 8.240 nan 0.000 0.591 76 A N 0.349 123.037 122.820 -0.220 0.000 1.873 76 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 76 A C 1.449 178.997 177.584 -0.060 0.000 1.193 76 A CA 2.165 54.117 52.037 -0.143 0.000 0.629 76 A CB -0.878 18.049 19.000 -0.122 0.000 0.826 76 A HN 0.932 nan 8.150 nan 0.000 0.447 77 Y N -1.762 118.540 120.300 0.003 0.000 2.675 77 Y HA 0.535 5.085 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 -0.445 57.707 58.100 0.086 0.000 1.203 77 Y CB -0.470 37.994 38.460 0.007 0.000 1.262 77 Y HN 0.349 nan 8.280 nan 0.000 0.544 78 S N -0.950 114.787 115.700 0.061 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 0.267 0.000 1.168 78 S CA -0.722 57.646 58.200 0.279 0.000 0.817 78 S CB 2.285 65.657 63.200 0.287 0.000 1.146 78 S HN 0.246 nan 8.310 nan 0.000 0.475 79 Y N 0.383 120.825 120.300 0.236 0.000 2.386 79 Y HA 0.671 5.221 4.550 -0.000 0.000 0.334 79 Y C -0.805 175.205 175.900 0.184 0.000 1.002 79 Y CA -0.491 57.719 58.100 0.183 0.000 1.068 79 Y CB 1.885 40.477 38.460 0.220 0.000 1.203 79 Y HN 0.968 nan 8.280 nan 0.000 0.443 80 K N 3.940 124.364 120.400 0.039 0.000 2.274 80 K HA 0.893 5.213 4.320 -0.000 0.000 0.262 80 K C -1.625 174.993 176.600 0.030 0.000 0.961 80 K CA -0.564 55.748 56.287 0.041 0.000 0.833 80 K CB 1.196 33.631 32.500 -0.109 0.000 1.102 80 K HN 0.668 nan 8.250 nan 0.000 0.436 81 A N 4.343 127.233 122.820 0.116 0.000 2.343 81 A HA 0.564 4.884 4.320 -0.000 0.000 0.308 81 A C -1.214 176.242 177.584 -0.213 0.000 1.092 81 A CA -0.798 51.199 52.037 -0.067 0.000 0.751 81 A CB 1.082 20.097 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 -0.424 0.000 2.437 82 R HA 0.714 5.054 4.340 -0.000 0.000 0.310 82 R C -1.783 174.240 176.300 -0.463 0.000 0.955 82 R CA -0.312 55.620 56.100 -0.279 0.000 0.851 82 R CB 0.809 31.034 30.300 -0.126 0.000 1.161 82 R HN 0.593 nan 8.270 nan 0.000 0.446 83 F N 0.232 120.254 119.950 0.120 0.000 2.611 83 F HA 0.402 4.929 4.527 -0.000 0.000 0.324 83 F C 0.252 176.113 175.800 0.102 0.000 1.061 83 F CA -0.927 57.150 58.000 0.128 0.000 0.954 83 F CB 2.406 41.505 39.000 0.165 0.000 1.301 83 F HN 0.246 nan 8.300 nan 0.000 0.482 84 T N 3.231 117.948 114.554 0.271 0.000 3.149 84 T HA 0.276 4.626 4.350 -0.000 0.000 0.373 84 T C -0.711 173.957 174.700 -0.052 0.000 1.364 84 T CA -0.317 61.866 62.100 0.138 0.000 1.110 84 T CB -0.028 68.918 68.868 0.130 0.000 1.127 84 T HN 0.352 nan 8.240 nan 0.000 0.576 85 L N 4.154 125.314 121.223 -0.105 0.000 2.485 85 L HA 0.571 4.911 4.340 -0.000 0.000 0.279 85 L C 0.108 176.919 176.870 -0.099 0.000 1.124 85 L CA -0.301 54.287 54.840 -0.419 0.000 0.888 85 L CB -0.796 41.138 42.059 -0.208 0.000 1.217 85 L HN 0.559 nan 8.230 nan 0.000 0.464 86 A N 5.515 128.272 122.820 -0.105 0.000 2.287 86 A HA 0.676 4.996 4.320 -0.000 0.000 0.317 86 A C -0.794 176.975 177.584 0.309 0.000 1.220 86 A CA -0.598 51.547 52.037 0.180 0.000 0.835 86 A CB 1.033 20.158 19.000 0.207 0.000 1.180 86 A HN 0.490 nan 8.150 nan 0.000 0.500 87 V N 3.561 123.661 119.914 0.310 0.000 2.294 87 V HA 0.474 4.594 4.120 -0.000 0.000 0.272 87 V C 1.170 177.373 176.094 0.181 0.000 1.027 87 V CA -0.149 62.356 62.300 0.343 0.000 0.823 87 V CB 0.733 32.797 31.823 0.402 0.000 1.030 87 V HN 1.082 nan 8.190 nan 0.000 0.457 88 G N 3.220 112.069 108.800 0.081 0.000 2.636 88 G HA2 0.141 4.101 3.960 -0.000 0.000 0.246 88 G HA3 0.141 4.101 3.960 -0.000 0.000 0.246 88 G C -0.149 174.749 174.900 -0.002 0.000 1.216 88 G CA -0.447 44.657 45.100 0.006 0.000 0.854 88 G HN 0.642 nan 8.290 nan 0.000 0.572 89 D N 0.691 121.071 120.400 -0.032 0.000 2.443 89 D HA 0.015 4.655 4.640 -0.000 0.000 0.239 89 D C 0.441 176.653 176.300 -0.147 0.000 1.136 89 D CA 0.492 54.460 54.000 -0.054 0.000 0.879 89 D CB 0.512 41.284 40.800 -0.047 0.000 1.195 89 D HN 0.422 nan 8.370 nan 0.000 0.443 90 N N 1.477 120.095 118.700 -0.136 0.000 2.818 90 N HA -0.186 4.553 4.740 -0.000 0.000 0.250 90 N C -0.571 174.843 175.510 -0.160 0.000 1.108 90 N CA 0.773 53.675 53.050 -0.245 0.000 0.745 90 N CB -0.597 37.482 38.487 -0.681 0.000 1.104 90 N HN 0.540 nan 8.380 nan 0.000 0.557 91 R N -0.456 120.036 120.500 -0.014 0.000 2.740 91 R HA 0.739 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 2.494 32.855 30.300 0.101 0.000 1.223 91 R HN -0.003 nan 8.270 nan 0.000 0.466 92 V N -0.465 119.608 119.914 0.264 0.000 2.841 92 V HA 0.711 4.831 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 61.363 62.300 0.186 0.000 0.930 92 V CB 1.956 33.839 31.823 0.101 0.000 1.014 92 V HN 0.603 nan 8.190 nan 0.000 0.425 93 L N 2.595 123.826 121.223 0.014 0.000 2.381 93 L HA 0.701 5.041 4.340 -0.000 0.000 0.274 93 L C -0.712 176.041 176.870 -0.194 0.000 0.988 93 L CA 0.054 54.754 54.840 -0.234 0.000 0.824 93 L CB 1.673 43.497 42.059 -0.393 0.000 1.263 93 L HN 0.921 nan 8.230 nan 0.000 0.410 94 D N 5.498 125.789 120.400 -0.182 0.000 2.380 94 D HA 0.123 4.763 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 1.027 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 2.830 122.311 119.600 -0.199 0.000 2.192 95 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 95 M C 1.919 178.116 176.300 -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 -0.288 0.000 1.373 95 M HN 0.512 nan 8.290 nan 0.000 0.408 96 A N -0.018 122.733 122.820 -0.116 0.000 2.076 96 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 96 A C 2.184 179.773 177.584 0.008 0.000 1.160 96 A CA 1.879 53.880 52.037 -0.060 0.000 0.653 96 A CB -0.729 18.259 19.000 -0.020 0.000 0.801 96 A HN 0.617 nan 8.150 nan 0.000 0.455 97 S N -0.364 115.335 115.700 -0.002 0.000 2.634 97 S HA 0.158 4.628 4.470 -0.000 0.000 0.221 97 S C 0.652 175.314 174.600 0.105 0.000 0.952 97 S CA 0.409 58.658 58.200 0.081 0.000 0.930 97 S CB -1.008 62.225 63.200 0.054 0.000 0.780 97 S HN 0.640 nan 8.310 nan 0.000 0.498 98 T N -0.313 114.252 114.554 0.018 0.000 2.945 98 T HA 0.740 5.090 4.350 -0.000 0.000 0.286 98 T C -0.747 173.984 174.700 0.052 0.000 1.025 98 T CA -0.815 61.249 62.100 -0.061 0.000 1.039 98 T CB 1.222 69.947 68.868 -0.237 0.000 1.068 98 T HN 0.702 nan 8.240 nan 0.000 0.497 99 Y N -1.458 118.754 120.300 -0.147 0.000 2.620 99 Y HA 0.646 5.196 4.550 -0.000 0.000 0.331 99 Y C -2.232 173.554 175.900 -0.191 0.000 1.173 99 Y CA -2.363 55.644 58.100 -0.155 0.000 1.076 99 Y CB 0.523 39.113 38.460 0.216 0.000 1.336 99 Y HN 0.546 nan 8.280 nan 0.000 0.459 100 F N 1.965 122.054 119.950 0.232 0.000 2.404 100 F HA 0.341 4.868 4.527 -0.000 0.000 0.358 100 F C 0.117 176.032 175.800 0.191 0.000 1.120 100 F CA -0.483 57.582 58.000 0.108 0.000 1.144 100 F CB 0.923 39.974 39.000 0.086 0.000 1.133 100 F HN 0.566 nan 8.300 nan 0.000 0.495 101 D N 4.378 125.013 120.400 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 0.226 0.000 1.171 101 D CA 0.120 54.347 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 3.703 124.367 120.570 0.157 0.000 2.509 102 I HA 0.480 4.650 4.170 -0.000 0.000 0.293 102 I C 0.058 176.215 176.117 0.066 0.000 1.020 102 I CA -0.916 60.396 61.300 0.020 0.000 1.088 102 I CB 1.847 39.767 38.000 -0.134 0.000 1.267 102 I HN 0.152 nan 8.210 nan 0.000 0.430 103 R N 3.703 124.133 120.500 -0.116 0.000 2.621 103 R HA 0.844 5.184 4.340 -0.000 0.000 0.292 103 R C -0.385 175.650 176.300 -0.441 0.000 0.969 103 R CA -0.796 55.121 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 0.652 108.891 108.800 -0.934 0.000 2.561 104 G HA2 0.459 4.419 3.960 -0.000 0.000 0.310 104 G HA3 0.459 4.419 3.960 -0.000 0.000 0.310 104 G C -1.750 172.637 174.900 -0.855 0.000 1.292 104 G CA -0.441 44.175 45.100 -0.807 0.000 0.811 104 G HN 0.297 nan 8.290 nan 0.000 0.482 105 V N 0.156 119.883 119.914 -0.312 0.000 2.680 105 V HA 0.794 4.914 4.120 -0.000 0.000 0.309 105 V C -0.724 175.533 176.094 0.271 0.000 1.052 105 V CA -0.687 61.607 62.300 -0.010 0.000 0.908 105 V CB 1.579 33.391 31.823 -0.018 0.000 1.001 105 V HN 0.976 nan 8.190 nan 0.000 0.431 106 L N 2.823 124.239 121.223 0.320 0.000 2.431 106 L HA 0.807 5.147 4.340 -0.000 0.000 0.266 106 L C -1.371 175.551 176.870 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 44.318 42.059 0.116 0.000 1.310 106 L HN 0.678 nan 8.230 nan 0.000 0.409 107 D N 2.973 123.391 120.400 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 1.506 42.389 40.800 0.138 0.000 1.076 107 D HN 0.624 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 0.652 56.572 56.100 -0.300 0.000 1.016 108 R CB -0.192 29.754 30.300 -0.590 0.000 0.872 108 R HN 0.668 nan 8.270 nan 0.000 0.471 109 G N 0.078 108.785 108.800 -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 -2.100 172.725 174.900 -0.124 0.000 1.359 109 G CA -0.447 44.587 45.100 -0.110 0.000 0.861 109 G HN 0.031 nan 8.290 nan 0.000 0.541 110 P HA 0.027 nan 4.420 nan 0.000 0.231 110 P C 1.727 178.878 177.300 -0.249 0.000 1.168 110 P CA 2.240 65.255 63.100 -0.140 0.000 0.779 110 P CB -0.067 31.577 31.700 -0.094 0.000 0.844 111 T N -4.281 110.086 114.554 -0.312 0.000 3.148 111 T HA 0.022 4.372 4.350 -0.000 0.000 0.253 111 T C 0.299 174.642 174.700 -0.595 0.000 1.134 111 T CA -0.484 61.213 62.100 -0.672 0.000 1.051 111 T CB -1.123 67.344 68.868 -0.669 0.000 0.959 111 T HN -0.122 nan 8.240 nan 0.000 0.525 112 F N 2.591 122.275 119.950 -0.445 0.000 2.472 112 F HA 0.499 5.026 4.527 -0.000 0.000 0.364 112 F C 0.242 175.807 175.800 -0.393 0.000 1.090 112 F CA -1.084 56.698 58.000 -0.364 0.000 1.188 112 F CB 0.571 39.412 39.000 -0.265 0.000 1.105 112 F HN -0.006 nan 8.300 nan 0.000 0.536 113 K N 9.060 128.811 120.400 -1.081 0.000 2.803 113 K HA 0.312 4.632 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 -1.748 53.847 56.287 -1.154 0.000 1.063 113 K CB 1.318 33.320 32.500 -0.830 0.000 1.254 113 K HN 0.266 nan 8.250 nan 0.000 0.551 114 P HA -0.013 nan 4.420 nan 0.000 0.286 114 P C -1.298 175.759 177.300 -0.404 0.000 1.577 114 P CA 0.387 62.949 63.100 -0.896 0.000 0.805 114 P CB -0.803 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 0.562 5.112 4.550 -0.000 0.000 0.355 115 Y C -1.066 174.706 175.900 -0.214 0.000 1.211 115 Y CA -1.375 56.584 58.100 -0.234 0.000 1.112 115 Y CB -0.144 38.233 38.460 -0.138 0.000 1.383 115 Y HN -0.373 nan 8.280 nan 0.000 0.458 116 S N 0.898 116.675 115.700 0.129 0.000 2.608 116 S HA 0.788 5.258 4.470 -0.000 0.000 0.291 116 S C 0.329 175.041 174.600 0.188 0.000 1.146 116 S CA 0.115 58.337 58.200 0.037 0.000 1.043 116 S CB 1.035 64.236 63.200 0.000 0.000 1.037 116 S HN 1.828 nan 8.310 nan 0.000 0.520 117 G N 1.946 110.820 108.800 0.123 0.000 2.632 117 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.224 117 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.224 117 G C -0.452 174.555 174.900 0.177 0.000 1.341 117 G CA -0.292 44.910 45.100 0.170 0.000 0.880 117 G HN 0.919 nan 8.290 nan 0.000 0.566 118 T N -0.833 113.751 114.554 0.049 0.000 2.940 118 T HA 0.770 5.120 4.350 -0.000 0.000 0.288 118 T C 1.087 175.652 174.700 -0.224 0.000 1.045 118 T CA 0.451 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 -0.210 122.355 122.820 -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 0.127 51.712 52.037 -0.753 0.000 0.900 119 A CB -0.089 18.278 19.000 -1.054 0.000 0.942 119 A HN 0.726 nan 8.150 nan 0.000 0.507 120 Y N 0.328 120.545 120.300 -0.139 0.000 2.331 120 Y HA 0.396 4.946 4.550 -0.000 0.000 0.334 120 Y C 0.062 175.872 175.900 -0.150 0.000 0.960 120 Y CA -1.805 56.239 58.100 -0.093 0.000 1.130 120 Y CB 0.722 39.169 38.460 -0.022 0.000 1.164 120 Y HN 0.243 nan 8.280 nan 0.000 0.458 121 N N 0.958 119.705 118.700 0.079 0.000 2.714 121 N HA -0.228 4.512 4.740 -0.000 0.000 0.253 121 N C 0.905 176.451 175.510 0.060 0.000 1.024 121 N CA 0.800 53.895 53.050 0.075 0.000 0.726 121 N CB -0.711 37.845 38.487 0.114 0.000 0.908 121 N HN 0.915 nan 8.380 nan 0.000 0.542 122 A N -0.247 122.585 122.820 0.021 0.000 2.019 122 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 122 A C 2.178 179.914 177.584 0.254 0.000 1.164 122 A CA 1.043 53.153 52.037 0.122 0.000 0.644 122 A CB -0.090 18.939 19.000 0.049 0.000 0.805 122 A HN 0.439 nan 8.150 nan 0.000 0.449 123 L N -0.791 120.531 121.223 0.165 0.000 2.492 123 L HA 0.145 4.485 4.340 -0.000 0.000 0.223 123 L C 1.413 178.371 176.870 0.147 0.000 1.132 123 L CA 0.030 54.953 54.840 0.138 0.000 0.850 123 L CB -0.464 41.651 42.059 0.093 0.000 0.966 123 L HN 0.352 nan 8.230 nan 0.000 0.454 124 A N 1.152 124.091 122.820 0.199 0.000 2.440 124 A HA 0.372 4.692 4.320 -0.000 0.000 0.251 124 A C -2.127 175.541 177.584 0.140 0.000 1.089 124 A CA -1.146 50.996 52.037 0.176 0.000 0.779 124 A CB -0.462 18.656 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 0.266 177.540 177.300 -0.043 0.000 1.193 125 P CA 0.104 63.202 63.100 -0.004 0.000 0.765 125 P CB 0.404 32.110 31.700 0.009 0.000 0.823 126 K N 1.796 122.085 120.400 -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 1.558 57.688 56.287 -0.262 0.000 0.937 126 K CB -0.415 31.829 32.500 -0.426 0.000 0.757 126 K HN 0.628 nan 8.250 nan 0.000 0.474 127 G N 0.385 109.155 108.800 -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 0.196 175.099 174.900 0.005 0.000 1.071 127 G CA -0.021 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 1.515 124.353 122.820 0.030 0.000 2.511 128 A HA 0.569 4.889 4.320 -0.000 0.000 0.242 128 A C -2.212 175.420 177.584 0.080 0.000 1.069 128 A CA -0.431 51.645 52.037 0.066 0.000 0.763 128 A CB 0.330 19.384 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 -0.800 176.592 177.300 0.153 0.000 1.290 129 P CA -1.030 62.127 63.100 0.094 0.000 0.889 129 P CB 0.975 32.697 31.700 0.037 0.000 1.190 130 N N 1.012 119.789 118.700 0.128 0.000 2.503 130 N HA 0.211 4.951 4.740 -0.000 0.000 0.267 130 N C -2.207 173.407 175.510 0.174 0.000 1.214 130 N CA -1.186 51.941 53.050 0.129 0.000 0.959 130 N CB -0.306 38.236 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 -0.179 177.226 177.300 0.176 0.000 1.203 131 P CA -0.115 63.079 63.100 0.158 0.000 0.767 131 P CB -0.034 31.705 31.700 0.064 0.000 0.785 132 C N 1.959 121.420 119.300 0.268 0.000 3.119 132 C HA 0.767 5.227 4.460 -0.000 0.000 0.359 132 C C -0.545 174.652 174.990 0.345 0.000 1.486 132 C CA -0.861 58.317 59.018 0.266 0.000 1.556 132 C CB 1.649 29.539 27.740 0.250 0.000 2.063 132 C HN 0.495 nan 8.230 nan 0.000 0.454 133 E N -0.702 119.704 120.200 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 0.426 0.000 0.895 133 E CA -0.165 56.418 56.400 0.305 0.000 0.753 133 E CB 2.315 32.101 29.700 0.144 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 0.585 5.245 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 -0.640 56.752 57.345 0.079 0.000 1.176 134 W CB 0.489 29.967 29.460 0.029 0.000 1.477 134 W HN 0.180 nan 8.180 nan 0.000 0.582 166 H N 0.468 119.164 119.070 -0.624 0.000 2.496 166 H HA 0.853 5.409 4.556 -0.000 0.000 0.342 166 H C -0.178 174.776 175.328 -0.622 0.000 1.170 166 H CA -0.755 54.826 56.048 -0.779 0.000 1.274 166 H CB 1.186 30.120 29.762 -1.379 0.000 1.538 166 H HN 0.360 nan 8.280 nan 0.000 0.542 167 V N 2.063 121.830 119.914 -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 -0.754 61.514 62.300 -0.054 0.000 0.921 167 V CB 1.979 33.727 31.823 -0.125 0.000 1.009 167 V HN 0.653 nan 8.190 nan 0.000 0.426 168 F N 4.062 124.081 119.950 0.116 0.000 2.716 168 F HA 0.823 5.350 4.527 -0.000 0.000 0.354 168 F C 0.147 175.993 175.800 0.077 0.000 1.168 168 F CA 0.074 58.166 58.000 0.155 0.000 1.045 168 F CB 1.376 40.568 39.000 0.319 0.000 1.311 168 F HN 0.625 nan 8.300 nan 0.000 0.477 169 G N 3.742 112.290 108.800 -0.421 0.000 2.815 169 G HA2 0.531 4.491 3.960 -0.000 0.000 0.305 169 G HA3 0.531 4.491 3.960 -0.000 0.000 0.305 169 G C -2.105 172.590 174.900 -0.342 0.000 1.277 169 G CA -0.718 44.207 45.100 -0.292 0.000 0.795 169 G HN 0.555 nan 8.290 nan 0.000 0.528 170 Q N -1.297 118.393 119.800 -0.184 0.000 2.340 170 Q HA 0.605 4.945 4.340 -0.000 0.000 0.276 170 Q C -1.682 174.279 176.000 -0.064 0.000 1.048 170 Q CA -0.918 54.807 55.803 -0.130 0.000 0.832 170 Q CB 2.253 30.941 28.738 -0.085 0.000 1.373 170 Q HN 1.053 nan 8.270 nan 0.000 0.409 171 A N 4.110 126.903 122.820 -0.044 0.000 2.586 171 A HA 0.511 4.831 4.320 -0.000 0.000 0.320 171 A C -2.360 175.243 177.584 0.030 0.000 1.281 171 A CA -1.140 50.903 52.037 0.011 0.000 0.775 171 A CB 0.742 19.747 19.000 0.008 0.000 1.122 171 A HN 0.678 nan 8.150 nan 0.000 0.470 172 P HA 0.035 nan 4.420 nan 0.000 0.245 172 P C -0.045 177.296 177.300 0.068 0.000 1.199 172 P CA 0.416 63.545 63.100 0.049 0.000 0.807 172 P CB 0.050 31.781 31.700 0.053 0.000 1.002 173 Y N 1.690 121.994 120.300 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 -0.554 57.552 58.100 0.010 0.000 1.244 173 Y CB 0.668 39.129 38.460 0.001 0.000 1.187 173 Y HN -0.213 nan 8.280 nan 0.000 0.510 174 S N 5.424 120.773 115.700 -0.584 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 -0.411 0.000 1.079 174 S CA -0.178 57.828 58.200 -0.322 0.000 1.104 174 S CB -0.292 62.778 63.200 -0.217 0.000 0.969 174 S HN 1.052 nan 8.310 nan 0.000 0.471 175 G N 3.477 112.333 108.800 0.093 0.000 2.613 175 G HA2 0.522 4.482 3.960 -0.000 0.000 0.303 175 G HA3 0.522 4.482 3.960 -0.000 0.000 0.303 175 G C 0.672 175.661 174.900 0.149 0.000 1.312 175 G CA -0.773 44.494 45.100 0.278 0.000 1.036 175 G HN 0.701 nan 8.290 nan 0.000 0.513 176 I N 0.295 120.916 120.570 0.084 0.000 2.339 176 I HA 0.163 4.333 4.170 -0.000 0.000 0.245 176 I C 1.573 177.505 176.117 -0.307 0.000 1.096 176 I CA 1.529 62.811 61.300 -0.030 0.000 1.408 176 I CB -0.151 37.836 38.000 -0.021 0.000 1.092 176 I HN 0.683 nan 8.210 nan 0.000 0.423 177 N N 0.172 118.666 118.700 -0.342 0.000 3.043 177 N HA 0.591 5.331 4.740 -0.000 0.000 0.243 177 N C -1.128 174.295 175.510 -0.146 0.000 1.347 177 N CA -0.676 51.968 53.050 -0.676 0.000 0.896 177 N CB 0.765 38.980 38.487 -0.454 0.000 1.501 177 N HN 0.035 nan 8.380 nan 0.000 0.504 178 I N 1.654 122.242 120.570 0.029 0.000 2.354 178 I HA 0.666 4.836 4.170 -0.000 0.000 0.286 178 I C 1.130 177.326 176.117 0.132 0.000 1.007 178 I CA -0.334 61.082 61.300 0.194 0.000 1.167 178 I CB 1.148 39.349 38.000 0.335 0.000 1.320 178 I HN 0.988 nan 8.210 nan 0.000 0.458 179 T N 2.857 117.478 114.554 0.112 0.000 2.819 179 T HA 0.582 4.932 4.350 -0.000 0.000 0.271 179 T C 1.157 175.833 174.700 -0.038 0.000 0.986 179 T CA -0.041 62.069 62.100 0.018 0.000 0.989 179 T CB 0.475 69.347 68.868 0.007 0.000 1.396 179 T HN 0.483 nan 8.240 nan 0.000 0.597 180 K N 0.105 120.431 120.400 -0.124 0.000 2.459 180 K HA 0.165 4.485 4.320 -0.000 0.000 0.193 180 K C 1.506 178.109 176.600 0.004 0.000 1.030 180 K CA 1.278 57.434 56.287 -0.219 0.000 1.026 180 K CB -0.398 31.976 32.500 -0.211 0.000 0.809 180 K HN 0.744 nan 8.250 nan 0.000 0.504 181 E N -0.788 119.451 120.200 0.066 0.000 2.479 181 E HA 0.279 4.629 4.350 -0.000 0.000 0.193 181 E C 0.777 177.480 176.600 0.170 0.000 1.049 181 E CA 0.143 56.603 56.400 0.100 0.000 0.870 181 E CB 0.274 30.007 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 -0.214 3.746 3.960 -0.000 0.000 0.200 182 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.200 182 G C -0.911 174.134 174.900 0.241 0.000 1.205 182 G CA -0.476 44.781 45.100 0.262 0.000 1.116 182 G HN 0.175 nan 8.290 nan 0.000 0.547 183 I N 1.376 122.083 120.570 0.228 0.000 2.359 183 I HA 0.549 4.719 4.170 -0.000 0.000 0.294 183 I C 0.632 176.803 176.117 0.090 0.000 0.987 183 I CA -0.612 60.789 61.300 0.169 0.000 1.225 183 I CB 1.364 39.482 38.000 0.196 0.000 1.366 183 I HN 0.747 nan 8.210 nan 0.000 0.466 184 Q N 7.279 127.124 119.800 0.074 0.000 2.314 184 Q HA 0.256 4.596 4.340 -0.000 0.000 0.258 184 Q C 0.164 176.207 176.000 0.070 0.000 0.954 184 Q CA -0.097 55.731 55.803 0.042 0.000 0.890 184 Q CB 0.942 29.686 28.738 0.011 0.000 1.210 184 Q HN 0.824 nan 8.270 nan 0.000 0.410 185 I N 0.186 120.782 120.570 0.044 0.000 4.225 185 I HA 0.600 4.770 4.170 -0.000 0.000 0.327 185 I C 0.284 176.443 176.117 0.069 0.000 1.422 185 I CA -0.364 60.988 61.300 0.087 0.000 1.150 185 I CB 0.887 38.885 38.000 -0.002 0.000 1.192 185 I HN 0.567 nan 8.210 nan 0.000 0.440 194 Y N -0.111 120.185 120.300 -0.006 0.000 2.326 194 Y HA 0.829 5.379 4.550 -0.000 0.000 0.324 194 Y C 1.023 176.885 175.900 -0.063 0.000 1.291 194 Y CA -1.314 56.780 58.100 -0.010 0.000 1.348 194 Y CB 0.492 38.966 38.460 0.023 0.000 1.294 194 Y HN 1.422 nan 8.280 nan 0.000 0.525 195 A N 1.496 124.253 122.820 -0.105 0.000 2.371 195 A HA 0.411 4.731 4.320 -0.000 0.000 0.257 195 A C 0.043 177.470 177.584 -0.262 0.000 1.089 195 A CA 0.054 51.935 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 0.891 nan 8.150 nan 0.000 0.488 196 D N 2.436 122.598 120.400 -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 0.555 54.359 54.000 -0.326 0.000 0.895 196 D CB 0.855 41.502 40.800 -0.256 0.000 1.046 196 D HN 0.622 nan 8.370 nan 0.000 0.498 197 K N 2.378 122.648 120.400 -0.217 0.000 2.173 197 K HA -0.236 4.084 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 2.371 58.563 56.287 -0.158 0.000 0.929 197 K CB -1.671 30.893 32.500 0.108 0.000 0.720 197 K HN 0.715 nan 8.250 nan 0.000 0.453 198 T N -2.073 112.462 114.554 -0.032 0.000 2.849 198 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 198 T C 1.613 176.393 174.700 0.132 0.000 1.066 198 T CA 1.606 63.750 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 1.039 nan 8.240 nan 0.000 0.481 199 F N -0.614 119.264 119.950 -0.121 0.000 2.938 199 F HA 0.515 5.042 4.527 -0.000 0.000 0.370 199 F C 0.077 175.762 175.800 -0.191 0.000 0.981 199 F CA -1.168 56.757 58.000 -0.125 0.000 1.108 199 F CB 0.275 39.224 39.000 -0.085 0.000 1.086 199 F HN 0.009 nan 8.300 nan 0.000 0.569 200 Q N 3.897 123.148 119.800 -0.914 0.000 2.256 200 Q HA 0.476 4.816 4.340 -0.000 0.000 0.257 200 Q C -2.636 172.815 176.000 -0.915 0.000 0.936 200 Q CA -2.239 53.045 55.803 -0.865 0.000 0.903 200 Q CB 1.822 29.967 28.738 -0.989 0.000 1.263 200 Q HN -0.002 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 -0.457 62.343 63.100 -0.499 0.000 0.811 201 P CB 0.753 32.201 31.700 -0.421 0.000 1.063 202 E N 1.681 121.811 120.200 -0.117 0.000 2.167 202 E HA 0.149 4.499 4.350 -0.000 0.000 0.284 202 E C -1.603 175.015 176.600 0.031 0.000 1.016 202 E CA -1.765 54.638 56.400 0.005 0.000 0.817 202 E CB 0.431 30.178 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 0.865 178.200 177.300 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 -0.773 119.064 119.800 0.062 0.000 2.224 204 Q HA -0.018 4.322 4.340 -0.000 0.000 0.203 204 Q C 0.956 176.998 176.000 0.070 0.000 0.970 204 Q CA 0.636 56.477 55.803 0.065 0.000 0.865 204 Q CB -0.505 28.271 28.738 0.064 0.000 0.922 204 Q HN 0.275 nan 8.270 nan 0.000 0.445 205 I N 1.384 122.007 120.570 0.087 0.000 2.395 205 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 205 I C 0.431 176.609 176.117 0.102 0.000 1.023 205 I CA -0.246 61.117 61.300 0.106 0.000 1.350 205 I CB 1.001 39.097 38.000 0.161 0.000 1.409 205 I HN 0.150 nan 8.210 nan 0.000 0.507 206 G N 3.428 112.262 108.800 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 -0.899 173.983 174.900 -0.030 0.000 1.362 206 G CA -0.309 44.802 45.100 0.019 0.000 0.809 206 G HN 0.673 nan 8.290 nan 0.000 0.522 207 E N -1.102 119.066 120.200 -0.054 0.000 2.343 207 E HA 0.596 4.946 4.350 -0.000 0.000 0.269 207 E C 1.301 177.860 176.600 -0.067 0.000 1.047 207 E CA 0.435 56.783 56.400 -0.086 0.000 0.874 207 E CB 0.878 30.512 29.700 -0.110 0.000 1.033 207 E HN 1.337 nan 8.360 nan 0.000 0.409 208 S N 0.389 116.041 115.700 -0.081 0.000 2.395 208 S HA 0.302 4.772 4.470 -0.000 0.000 0.225 208 S C 1.688 176.235 174.600 -0.088 0.000 1.027 208 S CA 1.451 59.615 58.200 -0.060 0.000 0.965 208 S CB -0.364 62.808 63.200 -0.048 0.000 0.812 208 S HN 1.224 nan 8.310 nan 0.000 0.482 209 Q N 0.526 120.200 119.800 -0.209 0.000 2.471 209 Q HA 0.439 4.779 4.340 -0.000 0.000 0.223 209 Q C 0.728 176.565 176.000 -0.272 0.000 1.045 209 Q CA 0.245 55.808 55.803 -0.400 0.000 0.956 209 Q CB -0.567 27.629 28.738 -0.904 0.000 1.249 209 Q HN 1.010 nan 8.270 nan 0.000 0.549 210 W N -0.676 120.426 121.300 -0.329 0.000 3.058 210 W HA 0.229 4.889 4.660 -0.000 0.000 0.306 210 W C 0.135 176.611 176.519 -0.071 0.000 1.188 210 W CA 0.223 57.489 57.345 -0.133 0.000 1.651 210 W CB 0.061 29.507 29.460 -0.024 0.000 1.051 210 W HN 0.787 nan 8.180 nan 0.000 0.592 211 Y N 0.851 120.779 120.300 -0.619 0.000 2.565 211 Y HA 0.696 5.246 4.550 -0.000 0.000 0.325 211 Y C 0.329 176.074 175.900 -0.257 0.000 1.221 211 Y CA -1.831 55.926 58.100 -0.572 0.000 1.316 211 Y CB -0.667 37.169 38.460 -1.039 0.000 1.404 211 Y HN -0.066 nan 8.280 nan 0.000 0.527 212 E N -0.781 119.522 120.200 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 0.262 56.726 56.400 0.107 0.000 0.882 212 E CB -0.204 29.529 29.700 0.055 0.000 1.039 212 E HN 1.015 nan 8.360 nan 0.000 0.418 213 T N 0.057 114.655 114.554 0.074 0.000 2.990 213 T HA 0.508 4.858 4.350 -0.000 0.000 0.249 213 T C 1.036 175.747 174.700 0.019 0.000 1.039 213 T CA 1.850 63.990 62.100 0.067 0.000 1.036 213 T CB -0.140 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 -1.020 119.181 120.200 0.001 0.000 5.278 214 E HA 0.312 4.662 4.350 -0.000 0.000 0.173 214 E C 0.034 176.619 176.600 -0.024 0.000 1.365 214 E CA 0.480 56.872 56.400 -0.013 0.000 1.205 214 E CB -2.905 26.788 29.700 -0.011 0.000 1.015 214 E HN 2.025 nan 8.360 nan 0.000 0.350 215 I N 2.051 122.601 120.570 -0.033 0.000 2.337 215 I HA 0.567 4.737 4.170 -0.000 0.000 0.291 215 I C 1.110 177.183 176.117 -0.073 0.000 1.046 215 I CA 0.105 61.381 61.300 -0.041 0.000 1.324 215 I CB 0.785 38.763 38.000 -0.037 0.000 1.409 215 I HN 0.670 nan 8.210 nan 0.000 0.494 216 N N 2.233 120.859 118.700 -0.124 0.000 2.432 216 N HA 0.021 4.761 4.740 -0.000 0.000 0.174 216 N C -0.179 175.009 175.510 -0.536 0.000 1.037 216 N CA 0.800 53.653 53.050 -0.328 0.000 0.892 216 N CB 0.343 38.593 38.487 -0.394 0.000 1.049 216 N HN 0.914 nan 8.380 nan 0.000 0.442 217 H N 0.262 119.360 119.070 0.046 0.000 2.697 217 H HA 0.556 5.112 4.556 -0.000 0.000 0.270 217 H C -0.521 174.865 175.328 0.098 0.000 1.188 217 H CA -0.418 55.678 56.048 0.080 0.000 1.322 217 H CB 0.986 30.801 29.762 0.089 0.000 1.405 217 H HN 0.103 nan 8.280 nan 0.000 0.502 218 A N 2.240 125.149 122.820 0.149 0.000 2.312 218 A HA 0.876 5.196 4.320 -0.000 0.000 0.328 218 A C -0.353 177.339 177.584 0.180 0.000 1.158 218 A CA -0.398 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 0.684 nan 8.150 nan 0.000 0.490 219 A N 0.678 123.635 122.820 0.228 0.000 2.435 219 A HA 0.932 5.252 4.320 -0.000 0.000 0.304 219 A C 0.036 177.722 177.584 0.169 0.000 1.064 219 A CA -0.003 52.164 52.037 0.217 0.000 0.727 219 A CB 1.665 20.811 19.000 0.243 0.000 1.284 219 A HN 2.087 nan 8.150 nan 0.000 0.415 220 G N -0.158 108.734 108.800 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 -1.403 173.581 174.900 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 -1.215 119.333 120.500 0.080 0.000 2.621 221 R HA 0.732 5.072 4.340 -0.000 0.000 0.292 221 R C -1.428 174.907 176.300 0.060 0.000 0.969 221 R CA -0.538 55.610 56.100 0.081 0.000 0.887 221 R CB 2.111 32.436 30.300 0.042 0.000 1.180 221 R HN 0.698 nan 8.270 nan 0.000 0.450 222 V N 5.083 125.037 119.914 0.067 0.000 3.147 222 V HA 0.531 4.651 4.120 -0.000 0.000 0.306 222 V C -1.580 174.554 176.094 0.067 0.000 1.209 222 V CA -0.914 61.423 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 4.521 125.790 121.223 0.077 0.000 2.289 223 L HA 0.544 4.884 4.340 -0.000 0.000 0.285 223 L C 0.298 177.221 176.870 0.088 0.000 1.049 223 L CA -0.523 54.361 54.840 0.074 0.000 0.804 223 L CB 1.265 43.368 42.059 0.073 0.000 1.195 223 L HN 0.591 nan 8.230 nan 0.000 0.428 224 K N 2.145 122.589 120.400 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 -0.411 55.921 56.287 0.075 0.000 0.928 224 K CB 0.680 33.213 32.500 0.056 0.000 0.983 224 K HN 0.520 nan 8.250 nan 0.000 0.484 225 K N 0.148 120.609 120.400 0.102 0.000 2.585 225 K HA -0.099 4.221 4.320 -0.000 0.000 0.194 225 K C 0.681 177.336 176.600 0.092 0.000 1.037 225 K CA 1.518 57.879 56.287 0.124 0.000 0.964 225 K CB -0.244 32.333 32.500 0.128 0.000 0.787 225 K HN 0.620 nan 8.250 nan 0.000 0.488 226 T N -2.120 112.476 114.554 0.069 0.000 3.081 226 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 226 T C 0.573 175.300 174.700 0.046 0.000 1.100 226 T CA -0.103 62.028 62.100 0.052 0.000 1.038 226 T CB 0.147 69.040 68.868 0.041 0.000 0.962 226 T HN 0.017 nan 8.240 nan 0.000 0.516 227 T N 4.959 119.544 114.554 0.051 0.000 2.753 227 T HA 0.426 4.776 4.350 -0.000 0.000 0.297 227 T C -2.672 172.056 174.700 0.046 0.000 0.981 227 T CA -1.414 60.711 62.100 0.041 0.000 0.956 227 T CB 1.257 70.147 68.868 0.037 0.000 0.936 227 T HN 0.121 nan 8.240 nan 0.000 0.463 228 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 0.100 63.217 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 2.812 122.424 119.600 0.020 0.000 2.211 229 M HA 0.252 4.732 4.480 -0.000 0.000 0.356 229 M C 0.567 176.869 176.300 0.005 0.000 1.216 229 M CA 0.471 55.779 55.300 0.013 0.000 1.134 229 M CB 0.430 33.018 32.600 -0.020 0.000 1.564 229 M HN 0.136 nan 8.290 nan 0.000 0.463 230 K N 2.945 123.356 120.400 0.019 0.000 2.527 230 K HA 0.558 4.878 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 34.185 32.500 0.032 0.000 1.359 230 K HN 0.220 nan 8.250 nan 0.000 0.434 231 P HA 0.065 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 -0.284 62.865 63.100 0.082 0.000 0.776 231 P CB 0.587 32.343 31.700 0.093 0.000 0.876 232 C N 3.118 122.494 119.300 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 0.546 nan 8.230 nan 0.000 0.470 233 Y N 1.076 121.417 120.300 0.068 0.000 2.745 233 Y HA 0.379 4.929 4.550 -0.000 0.000 0.335 233 Y C 1.190 177.147 175.900 0.094 0.000 1.212 233 Y CA 1.154 59.300 58.100 0.076 0.000 1.535 233 Y CB -0.074 38.414 38.460 0.047 0.000 1.220 233 Y HN 0.634 nan 8.280 nan 0.000 0.531 234 G N 3.077 111.753 108.800 -0.208 0.000 2.176 234 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.253 234 G HA3 -0.275 3.685 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 0.149 45.210 45.100 -0.065 0.000 0.641 234 G HN 0.704 nan 8.290 nan 0.000 0.530 235 S N 0.030 115.770 115.700 0.067 0.000 2.528 235 S HA 0.587 5.057 4.470 -0.000 0.000 0.277 235 S C -0.500 174.087 174.600 -0.023 0.000 1.297 235 S CA 0.037 58.255 58.200 0.031 0.000 1.052 235 S CB 1.125 64.351 63.200 0.043 0.000 0.917 235 S HN 0.798 nan 8.310 nan 0.000 0.492 236 Y N 1.238 121.365 120.300 -0.289 0.000 2.544 236 Y HA 0.599 5.149 4.550 -0.000 0.000 0.342 236 Y C -1.243 174.506 175.900 -0.252 0.000 1.062 236 Y CA -0.801 57.025 58.100 -0.457 0.000 1.023 236 Y CB 1.276 39.051 38.460 -1.141 0.000 1.308 236 Y HN 0.676 nan 8.280 nan 0.000 0.457 237 A N 5.863 128.007 122.820 -1.126 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 -0.970 50.589 52.037 -0.796 0.000 0.760 237 A CB 0.635 19.426 19.000 -0.348 0.000 1.274 237 A HN 0.810 nan 8.150 nan 0.000 0.412 238 K N 3.190 123.162 120.400 -0.713 0.000 2.524 238 K HA 0.290 4.610 4.320 -0.000 0.000 0.279 238 K C -2.393 174.096 176.600 -0.186 0.000 0.993 238 K CA -0.547 55.543 56.287 -0.328 0.000 1.030 238 K CB 0.128 32.592 32.500 -0.060 0.000 0.891 238 K HN 0.309 nan 8.250 nan 0.000 0.488 239 P HA -0.018 nan 4.420 nan 0.000 0.271 239 P C 0.007 177.285 177.300 -0.037 0.000 1.216 239 P CA -0.292 62.772 63.100 -0.060 0.000 0.776 239 P CB 1.094 32.778 31.700 -0.028 0.000 0.881 240 T N -1.912 112.625 114.554 -0.028 0.000 3.044 240 T HA 0.202 4.552 4.350 -0.000 0.000 0.260 240 T C 0.212 174.905 174.700 -0.011 0.000 1.019 240 T CA -0.277 61.813 62.100 -0.015 0.000 0.921 240 T CB -0.742 68.121 68.868 -0.010 0.000 1.053 240 T HN 0.596 nan 8.240 nan 0.000 0.533 241 N N -1.515 117.173 118.700 -0.021 0.000 2.484 241 N HA 0.492 5.232 4.740 -0.000 0.000 0.269 241 N C 0.584 176.051 175.510 -0.070 0.000 1.237 241 N CA -0.305 52.724 53.050 -0.035 0.000 0.838 241 N CB 0.689 39.163 38.487 -0.022 0.000 1.593 241 N HN -0.078 nan 8.380 nan 0.000 0.485 242 E N 0.163 120.312 120.200 -0.085 0.000 2.393 242 E HA -0.214 4.136 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 1.588 57.925 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 0.610 nan 8.360 nan 0.000 0.526 243 N N -0.971 117.569 118.700 -0.268 0.000 2.270 243 N HA 0.234 4.974 4.740 -0.000 0.000 0.198 243 N C 1.344 176.709 175.510 -0.242 0.000 1.117 243 N CA 0.777 53.552 53.050 -0.459 0.000 0.845 243 N CB 1.245 38.993 38.487 -1.231 0.000 0.980 243 N HN 0.578 nan 8.380 nan 0.000 0.486 244 G N 0.096 108.832 108.800 -0.108 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 0.004 0.000 0.990 244 G CA -0.101 44.980 45.100 -0.032 0.000 0.627 244 G HN 0.553 nan 8.290 nan 0.000 0.522 245 G N -0.189 108.630 108.800 0.032 0.000 2.353 245 G HA2 0.433 4.393 3.960 -0.000 0.000 0.239 245 G HA3 0.433 4.393 3.960 -0.000 0.000 0.239 245 G C 0.567 175.469 174.900 0.004 0.000 1.295 245 G CA 0.563 45.697 45.100 0.057 0.000 0.884 245 G HN 0.579 nan 8.290 nan 0.000 0.537 246 Q N 1.189 120.981 119.800 -0.012 0.000 2.179 246 Q HA 0.227 4.567 4.340 -0.000 0.000 0.213 246 Q C 1.286 177.267 176.000 -0.031 0.000 0.833 246 Q CA -0.158 55.616 55.803 -0.048 0.000 0.990 246 Q CB 1.170 29.849 28.738 -0.098 0.000 1.132 246 Q HN 0.606 nan 8.270 nan 0.000 0.493 247 G N 1.155 109.953 108.800 -0.003 0.000 2.340 247 G HA2 0.219 4.179 3.960 -0.000 0.000 0.245 247 G HA3 0.219 4.179 3.960 -0.000 0.000 0.245 247 G C -0.186 174.716 174.900 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 1.171 121.742 120.570 0.002 0.000 2.710 248 I HA 0.002 4.172 4.170 -0.000 0.000 0.286 248 I C 0.584 176.706 176.117 0.009 0.000 1.181 248 I CA 0.392 61.694 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 6.833 128.061 121.223 0.008 0.000 2.295 249 L HA 0.476 4.816 4.340 -0.000 0.000 0.285 249 L C -0.126 176.750 176.870 0.011 0.000 1.035 249 L CA -0.639 54.208 54.840 0.011 0.000 0.806 249 L CB 1.424 43.489 42.059 0.010 0.000 1.214 249 L HN 0.320 nan 8.230 nan 0.000 0.426 259 S N 0.162 115.877 115.700 0.025 0.000 2.549 259 S HA 0.227 4.697 4.470 -0.000 0.000 0.283 259 S C 0.690 175.308 174.600 0.030 0.000 1.320 259 S CA 0.249 58.467 58.200 0.029 0.000 1.058 259 S CB 0.848 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 2.926 122.744 119.800 0.030 0.000 2.172 260 Q HA 0.190 4.530 4.340 -0.000 0.000 0.217 260 Q C -0.309 175.712 176.000 0.035 0.000 0.832 260 Q CA -0.216 55.604 55.803 0.029 0.000 1.010 260 Q CB 0.731 29.483 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 0.209 4.329 4.120 -0.000 0.000 0.306 261 V C 0.472 176.595 176.094 0.048 0.000 1.059 261 V CA 0.656 62.994 62.300 0.063 0.000 1.138 261 V CB 0.613 32.497 31.823 0.102 0.000 0.940 261 V HN 0.391 nan 8.190 nan 0.000 0.489 262 E N 4.938 125.152 120.200 0.023 0.000 2.281 262 E HA 0.635 4.985 4.350 -0.000 0.000 0.266 262 E C -0.603 175.932 176.600 -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 31.179 29.700 -0.008 0.000 1.245 262 E HN 0.747 nan 8.360 nan 0.000 0.410 263 M N 0.956 120.428 119.600 -0.213 0.000 2.243 263 M HA 0.440 4.920 4.480 -0.000 0.000 0.341 263 M C 0.057 176.123 176.300 -0.391 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 -0.845 0.000 1.497 263 M HN 0.498 nan 8.290 nan 0.000 0.456 264 Q N 2.182 121.682 119.800 -0.501 0.000 2.310 264 Q HA 0.537 4.877 4.340 -0.000 0.000 0.270 264 Q C -1.643 174.014 176.000 -0.572 0.000 1.025 264 Q CA -0.393 55.192 55.803 -0.364 0.000 0.772 264 Q CB 1.827 30.501 28.738 -0.106 0.000 1.253 264 Q HN 0.528 nan 8.270 nan 0.000 0.450 265 F N 1.896 121.564 119.950 -0.469 0.000 2.379 265 F HA 0.595 5.122 4.527 -0.000 0.000 0.332 265 F C -0.168 175.213 175.800 -0.699 0.000 1.096 265 F CA -0.470 57.310 58.000 -0.366 0.000 1.105 265 F CB 0.694 39.572 39.000 -0.204 0.000 1.189 265 F HN 0.371 nan 8.300 nan 0.000 0.515 266 F N -0.078 119.938 119.950 0.110 0.000 2.613 266 F HA 0.645 5.172 4.527 -0.000 0.000 0.310 266 F C -0.130 175.696 175.800 0.043 0.000 1.085 266 F CA -0.716 57.311 58.000 0.044 0.000 0.945 266 F CB 2.204 41.199 39.000 -0.008 0.000 1.298 266 F HN 0.305 nan 8.300 nan 0.000 0.455 267 S N -0.558 115.270 115.700 0.213 0.000 2.651 267 S HA 0.582 5.052 4.470 -0.000 0.000 0.279 267 S C 0.097 174.752 174.600 0.092 0.000 1.148 267 S CA -0.491 57.778 58.200 0.115 0.000 0.837 267 S CB 1.859 65.098 63.200 0.066 0.000 1.138 267 S HN 0.763 nan 8.310 nan 0.000 0.478 268 T N 0.367 114.952 114.554 0.051 0.000 4.971 268 T HA 0.466 4.816 4.350 -0.000 0.000 0.217 268 T C 0.920 175.638 174.700 0.029 0.000 0.770 268 T CA 0.885 63.005 62.100 0.033 0.000 2.187 268 T CB -1.184 67.694 68.868 0.016 0.000 1.552 268 T HN 0.882 nan 8.240 nan 0.000 0.277 279 L N -0.143 121.077 121.223 -0.005 0.000 2.999 279 L HA 0.491 4.831 4.340 -0.000 0.000 0.304 279 L C 1.172 178.039 176.870 -0.005 0.000 1.104 279 L CA 1.533 56.368 54.840 -0.008 0.000 0.911 279 L CB -1.397 40.651 42.059 -0.020 0.000 1.341 279 L HN 2.407 nan 8.230 nan 0.000 0.487 280 T N 3.827 118.387 114.554 0.010 0.000 3.548 280 T HA 0.628 4.978 4.350 -0.000 0.000 0.329 280 T C -2.083 172.649 174.700 0.054 0.000 0.960 280 T CA -0.787 61.330 62.100 0.028 0.000 1.041 280 T CB 0.778 69.671 68.868 0.043 0.000 1.065 280 T HN 0.742 nan 8.240 nan 0.000 0.459 281 P HA 0.329 nan 4.420 nan 0.000 0.261 281 P C 0.855 178.241 177.300 0.143 0.000 1.183 281 P CA 0.138 63.324 63.100 0.144 0.000 0.761 281 P CB 0.661 32.513 31.700 0.254 0.000 0.785 282 K N 1.986 122.450 120.400 0.107 0.000 2.323 282 K HA 0.251 4.571 4.320 -0.000 0.000 0.197 282 K C 0.764 177.410 176.600 0.076 0.000 1.043 282 K CA 0.775 57.083 56.287 0.036 0.000 0.997 282 K CB 0.184 32.683 32.500 -0.001 0.000 0.807 282 K HN 0.399 nan 8.250 nan 0.000 0.497 283 V N -0.074 119.925 119.914 0.141 0.000 2.925 283 V HA 0.659 4.779 4.120 -0.000 0.000 0.311 283 V C -1.389 174.806 176.094 0.168 0.000 1.104 283 V CA -0.714 61.668 62.300 0.137 0.000 0.954 283 V CB 1.976 33.845 31.823 0.077 0.000 1.022 283 V HN 0.296 nan 8.190 nan 0.000 0.427 284 V N 5.732 125.678 119.914 0.054 0.000 2.686 284 V HA 0.716 4.836 4.120 -0.000 0.000 0.306 284 V C -1.608 174.386 176.094 -0.168 0.000 1.065 284 V CA -0.319 61.857 62.300 -0.207 0.000 0.894 284 V CB 1.886 33.419 31.823 -0.483 0.000 1.004 284 V HN 0.728 nan 8.190 nan 0.000 0.424 285 L N 6.154 127.242 121.223 -0.225 0.000 2.346 285 L HA 0.586 4.926 4.340 -0.000 0.000 0.274 285 L C -1.381 175.318 176.870 -0.284 0.000 1.007 285 L CA -0.752 54.025 54.840 -0.105 0.000 0.818 285 L CB 2.266 44.333 42.059 0.013 0.000 1.284 285 L HN 0.658 nan 8.230 nan 0.000 0.424 286 Y N 1.006 121.256 120.300 -0.083 0.000 2.676 286 Y HA 0.195 4.745 4.550 -0.000 0.000 0.338 286 Y C 0.857 176.734 175.900 -0.039 0.000 1.057 286 Y CA -0.654 57.398 58.100 -0.080 0.000 1.314 286 Y CB 0.784 39.189 38.460 -0.092 0.000 1.164 286 Y HN 0.501 nan 8.280 nan 0.000 0.509 287 S N 3.141 118.861 115.700 0.033 0.000 2.548 287 S HA 0.537 5.007 4.470 -0.000 0.000 0.277 287 S C -0.291 174.342 174.600 0.054 0.000 1.315 287 S CA -0.563 57.665 58.200 0.046 0.000 1.050 287 S CB 0.933 64.153 63.200 0.032 0.000 0.918 287 S HN 0.744 nan 8.310 nan 0.000 0.497 288 E N 1.120 121.352 120.200 0.054 0.000 2.423 288 E HA 0.408 4.758 4.350 -0.000 0.000 0.280 288 E C -2.063 174.559 176.600 0.037 0.000 1.030 288 E CA -1.008 55.419 56.400 0.045 0.000 0.812 288 E CB 0.898 30.625 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 0.428 5.068 4.640 -0.000 0.000 0.240 289 D C -0.457 175.846 176.300 0.006 0.000 1.062 289 D CA -0.291 53.721 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 -0.380 119.531 119.914 -0.004 0.000 3.046 290 V HA 0.500 4.620 4.120 -0.000 0.000 0.316 290 V C 0.004 176.077 176.094 -0.035 0.000 1.104 290 V CA -0.885 61.397 62.300 -0.029 0.000 1.006 290 V CB 2.352 34.144 31.823 -0.050 0.000 1.058 290 V HN 0.292 nan 8.190 nan 0.000 0.440 291 D N 2.168 122.533 120.400 -0.058 0.000 2.619 291 D HA 0.224 4.864 4.640 -0.000 0.000 0.224 291 D C 0.033 176.292 176.300 -0.068 0.000 1.133 291 D CA -0.064 53.907 54.000 -0.048 0.000 1.017 291 D CB 0.029 40.804 40.800 -0.042 0.000 1.077 291 D HN 0.662 nan 8.370 nan 0.000 0.503 292 I N 2.439 122.980 120.570 -0.048 0.000 2.618 292 I HA -0.030 4.140 4.170 -0.000 0.000 0.284 292 I C 0.251 176.362 176.117 -0.011 0.000 1.146 292 I CA 0.544 61.816 61.300 -0.045 0.000 1.425 292 I CB 0.306 38.293 38.000 -0.022 0.000 1.383 292 I HN 0.225 nan 8.210 nan 0.000 0.562 293 E N 3.705 123.907 120.200 0.002 0.000 2.433 293 E HA 0.572 4.922 4.350 -0.000 0.000 0.273 293 E C -1.046 175.577 176.600 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 -2.240 112.340 114.554 0.043 0.000 3.631 294 T HA 0.247 4.597 4.350 -0.000 0.000 0.256 294 T C -2.313 172.423 174.700 0.061 0.000 1.187 294 T CA -1.246 60.884 62.100 0.050 0.000 1.667 294 T CB 0.479 69.383 68.868 0.060 0.000 0.804 294 T HN 0.187 nan 8.240 nan 0.000 0.639 295 P HA 0.036 nan 4.420 nan 0.000 0.225 295 P C 0.429 177.761 177.300 0.052 0.000 1.148 295 P CA 1.209 64.336 63.100 0.045 0.000 0.779 295 P CB 0.049 31.764 31.700 0.024 0.000 0.780 296 D N -2.273 118.182 120.400 0.093 0.000 2.594 296 D HA 0.062 4.702 4.640 -0.000 0.000 0.256 296 D C 0.023 176.375 176.300 0.086 0.000 1.393 296 D CA -0.263 53.770 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 -2.733 111.895 114.554 0.124 0.000 2.865 297 T HA 0.643 4.993 4.350 -0.000 0.000 0.294 297 T C -0.627 174.205 174.700 0.219 0.000 1.119 297 T CA -0.831 61.371 62.100 0.171 0.000 1.007 297 T CB 2.586 71.531 68.868 0.129 0.000 1.225 297 T HN 0.311 nan 8.240 nan 0.000 0.515 298 H N -0.600 118.501 119.070 0.051 0.000 2.977 298 H HA 0.530 5.086 4.556 -0.000 0.000 0.350 298 H C -1.183 174.163 175.328 0.029 0.000 1.238 298 H CA -1.457 54.604 56.048 0.022 0.000 1.124 298 H CB 0.806 30.558 29.762 -0.016 0.000 1.866 298 H HN 0.580 nan 8.280 nan 0.000 0.550 299 I N 2.783 123.355 120.570 0.004 0.000 2.379 299 I HA -0.035 4.135 4.170 -0.000 0.000 0.290 299 I C 1.571 177.634 176.117 -0.091 0.000 1.063 299 I CA 0.174 61.443 61.300 -0.052 0.000 1.351 299 I CB 0.995 38.983 38.000 -0.020 0.000 1.410 299 I HN 0.750 nan 8.210 nan 0.000 0.505 300 S N 6.034 121.660 115.700 -0.122 0.000 2.528 300 S HA -0.038 4.431 4.470 -0.000 0.000 0.219 300 S C 0.218 174.867 174.600 0.081 0.000 0.985 300 S CA 0.248 58.403 58.200 -0.076 0.000 0.914 300 S CB -0.053 63.077 63.200 -0.117 0.000 0.776 300 S HN 0.618 nan 8.310 nan 0.000 0.526 301 Y N 1.158 121.415 120.300 -0.072 0.000 2.294 301 Y HA 0.546 5.096 4.550 -0.000 0.000 0.329 301 Y C -1.167 174.705 175.900 -0.046 0.000 1.135 301 Y CA -1.198 56.871 58.100 -0.050 0.000 1.213 301 Y CB 0.977 39.404 38.460 -0.056 0.000 1.141 301 Y HN 0.057 nan 8.280 nan 0.000 0.446 302 M N 8.614 127.875 119.600 -0.565 0.000 2.084 302 M HA 0.352 4.832 4.480 -0.000 0.000 0.351 302 M C -1.947 173.876 176.300 -0.794 0.000 1.240 302 M CA -2.812 52.185 55.300 -0.505 0.000 1.083 302 M CB 1.136 33.581 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 -0.659 176.495 177.300 -0.244 0.000 1.177 303 P CA 0.641 63.455 63.100 -0.476 0.000 0.785 303 P CB 0.433 32.004 31.700 -0.215 0.000 0.885 304 T N -2.110 112.319 114.554 -0.208 0.000 3.097 304 T HA 0.423 4.773 4.350 -0.000 0.000 0.332 304 T C 0.501 175.136 174.700 -0.109 0.000 1.269 304 T CA -0.424 61.598 62.100 -0.131 0.000 1.076 304 T CB 1.093 69.899 68.868 -0.102 0.000 1.209 304 T HN -0.178 nan 8.240 nan 0.000 0.474 305 I N -0.783 119.738 120.570 -0.081 0.000 3.688 305 I HA 0.697 4.867 4.170 -0.000 0.000 0.307 305 I C 0.988 177.077 176.117 -0.047 0.000 1.287 305 I CA -0.081 61.182 61.300 -0.061 0.000 1.192 305 I CB -2.031 35.941 38.000 -0.047 0.000 1.043 305 I HN 0.866 nan 8.210 nan 0.000 0.442 306 K N 0.868 121.236 120.400 -0.053 0.000 2.293 306 K HA 0.764 5.084 4.320 -0.000 0.000 0.267 306 K C 0.257 176.835 176.600 -0.038 0.000 1.010 306 K CA 0.126 56.390 56.287 -0.039 0.000 0.875 306 K CB -0.420 32.057 32.500 -0.038 0.000 1.106 306 K HN 1.476 nan 8.250 nan 0.000 0.450 307 E N 0.255 120.441 120.200 -0.024 0.000 2.447 307 E HA 0.515 4.865 4.350 -0.000 0.000 0.259 307 E C 0.995 177.588 176.600 -0.011 0.000 1.196 307 E CA 0.293 56.683 56.400 -0.017 0.000 0.995 307 E CB -0.247 29.450 29.700 -0.006 0.000 0.974 307 E HN 2.401 nan 8.360 nan 0.000 0.465 308 G N 0.521 109.320 108.800 -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 -0.361 174.540 174.900 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 0.185 118.903 118.700 0.031 0.000 2.492 309 N HA 0.568 5.308 4.740 -0.000 0.000 0.262 309 N C 0.562 176.067 175.510 -0.008 0.000 1.202 309 N CA 0.669 53.729 53.050 0.018 0.000 0.926 309 N CB 1.513 40.064 38.487 0.106 0.000 1.078 309 N HN 1.336 nan 8.380 nan 0.000 0.454 310 S N -0.649 114.913 115.700 -0.230 0.000 2.588 310 S HA 0.620 5.090 4.470 -0.000 0.000 0.269 310 S C 0.949 174.988 174.600 -0.935 0.000 1.157 310 S CA -0.315 57.634 58.200 -0.418 0.000 0.824 310 S CB 1.016 64.101 63.200 -0.192 0.000 1.126 310 S HN 0.574 nan 8.310 nan 0.000 0.464 311 R N 0.395 120.233 120.500 -1.104 0.000 2.139 311 R HA 0.037 4.377 4.340 -0.000 0.000 0.243 311 R C 2.477 178.430 176.300 -0.580 0.000 1.145 311 R CA 3.258 58.734 56.100 -1.039 0.000 0.976 311 R CB -2.386 27.676 30.300 -0.398 0.000 0.866 311 R HN 1.241 nan 8.270 nan 0.000 0.449 312 E N 1.090 121.063 120.200 -0.377 0.000 2.070 312 E HA -0.085 4.265 4.350 -0.000 0.000 0.197 312 E C 2.166 178.626 176.600 -0.235 0.000 1.004 312 E CA 1.441 57.698 56.400 -0.238 0.000 0.805 312 E CB -0.671 28.927 29.700 -0.169 0.000 0.744 312 E HN 0.662 nan 8.360 nan 0.000 0.451 313 L N -0.217 120.843 121.223 -0.271 0.000 2.450 313 L HA -0.063 4.277 4.340 -0.000 0.000 0.224 313 L C 2.779 179.521 176.870 -0.215 0.000 1.149 313 L CA 0.707 55.419 54.840 -0.214 0.000 0.816 313 L CB -0.292 41.656 42.059 -0.184 0.000 0.932 313 L HN 0.381 nan 8.230 nan 0.000 0.449 314 M N -0.825 118.588 119.600 -0.311 0.000 2.460 314 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 314 M C 1.818 178.008 176.300 -0.184 0.000 1.071 314 M CA 1.321 56.439 55.300 -0.302 0.000 1.096 314 M CB -0.533 31.782 32.600 -0.476 0.000 1.408 314 M HN 0.337 nan 8.290 nan 0.000 0.463 315 G N 0.434 109.161 108.800 -0.120 0.000 3.088 315 G HA2 0.058 4.018 3.960 -0.000 0.000 0.217 315 G HA3 0.058 4.018 3.960 -0.000 0.000 0.217 315 G C 0.387 175.353 174.900 0.110 0.000 1.159 315 G CA -0.403 44.691 45.100 -0.009 0.000 0.760 315 G HN 0.579 nan 8.290 nan 0.000 0.550 316 Q N 0.041 119.858 119.800 0.029 0.000 2.392 316 Q HA 0.435 4.775 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 0.060 55.895 55.803 0.054 0.000 0.888 316 Q CB 0.790 29.500 28.738 -0.045 0.000 1.260 316 Q HN 0.219 nan 8.270 nan 0.000 0.435 317 Q N 0.937 120.804 119.800 0.112 0.000 2.342 317 Q HA 0.476 4.816 4.340 -0.000 0.000 0.267 317 Q C -1.242 174.757 176.000 -0.001 0.000 1.038 317 Q CA -0.645 55.185 55.803 0.045 0.000 0.832 317 Q CB 2.497 31.253 28.738 0.030 0.000 1.323 317 Q HN 0.718 nan 8.270 nan 0.000 0.448 318 S N 2.344 118.037 115.700 -0.012 0.000 2.549 318 S HA 0.786 5.256 4.470 -0.000 0.000 0.297 318 S C -0.990 173.574 174.600 -0.059 0.000 1.115 318 S CA -0.625 57.584 58.200 0.016 0.000 1.059 318 S CB 0.820 64.135 63.200 0.193 0.000 1.046 318 S HN 0.665 nan 8.310 nan 0.000 0.506 319 M N 5.019 124.556 119.600 -0.104 0.000 2.378 319 M HA 0.517 4.997 4.480 -0.000 0.000 0.289 319 M C -2.833 173.467 176.300 0.001 0.000 1.136 319 M CA -2.011 53.215 55.300 -0.124 0.000 0.917 319 M CB 2.359 34.787 32.600 -0.286 0.000 1.669 319 M HN 0.409 nan 8.290 nan 0.000 0.461 320 P HA 0.108 nan 4.420 nan 0.000 0.269 320 P C -1.231 176.173 177.300 0.173 0.000 1.209 320 P CA 0.006 63.225 63.100 0.198 0.000 0.776 320 P CB 0.262 32.078 31.700 0.193 0.000 0.876 321 N N 1.722 120.509 118.700 0.146 0.000 2.503 321 N HA 0.156 4.896 4.740 -0.000 0.000 0.267 321 N C 0.403 175.884 175.510 -0.048 0.000 1.214 321 N CA -0.266 52.839 53.050 0.092 0.000 0.959 321 N CB 0.219 38.750 38.487 0.075 0.000 1.142 321 N HN 0.255 nan 8.380 nan 0.000 0.455 322 R N 1.583 122.011 120.500 -0.121 0.000 2.570 322 R HA 0.130 4.470 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 -0.996 54.986 56.100 -0.198 0.000 1.065 322 R CB -0.191 29.926 30.300 -0.305 0.000 0.964 322 R HN 0.400 nan 8.270 nan 0.000 0.428 323 P HA 0.002 nan 4.420 nan 0.000 0.268 323 P C -0.851 176.281 177.300 -0.279 0.000 1.205 323 P CA -0.005 62.868 63.100 -0.378 0.000 0.771 323 P CB 0.533 32.014 31.700 -0.365 0.000 0.858 324 N N 2.030 120.464 118.700 -0.442 0.000 2.621 324 N HA 0.213 4.953 4.740 -0.000 0.000 0.271 324 N C -1.697 173.645 175.510 -0.279 0.000 1.181 324 N CA -0.457 52.447 53.050 -0.242 0.000 0.805 324 N CB 0.150 38.566 38.487 -0.118 0.000 1.351 324 N HN 0.133 nan 8.380 nan 0.000 0.539 325 Y N 2.608 122.943 120.300 0.058 0.000 2.319 325 Y HA 0.463 5.013 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 -0.069 58.134 58.100 0.172 0.000 1.265 325 Y CB 0.896 39.446 38.460 0.150 0.000 1.218 325 Y HN 0.288 nan 8.280 nan 0.000 0.508 326 I N 2.816 123.633 120.570 0.411 0.000 2.569 326 I HA 0.770 4.940 4.170 -0.000 0.000 0.290 326 I C -0.488 175.585 176.117 -0.073 0.000 1.088 326 I CA -0.693 60.660 61.300 0.090 0.000 1.047 326 I CB 1.771 39.757 38.000 -0.024 0.000 1.237 326 I HN 0.724 nan 8.210 nan 0.000 0.421 327 A N 4.643 127.396 122.820 -0.112 0.000 2.511 327 A HA 0.735 5.055 4.320 -0.000 0.000 0.293 327 A C -1.503 175.980 177.584 -0.168 0.000 1.098 327 A CA -0.591 51.342 52.037 -0.173 0.000 0.643 327 A CB 0.660 19.638 19.000 -0.036 0.000 1.302 327 A HN 0.402 nan 8.150 nan 0.000 0.446 328 F N 1.221 121.147 119.950 -0.040 0.000 2.444 328 F HA 0.468 4.995 4.527 -0.000 0.000 0.331 328 F C 1.554 177.332 175.800 -0.036 0.000 1.167 328 F CA 0.585 58.592 58.000 0.012 0.000 1.262 328 F CB 0.619 39.714 39.000 0.158 0.000 1.196 328 F HN 0.530 nan 8.300 nan 0.000 0.583 329 R N 0.148 120.774 120.500 0.210 0.000 2.583 329 R HA 0.151 4.491 4.340 -0.000 0.000 0.268 329 R C -0.813 175.456 176.300 -0.052 0.000 1.101 329 R CA -0.922 55.223 56.100 0.075 0.000 1.180 329 R CB 0.200 30.565 30.300 0.108 0.000 1.128 329 R HN 0.497 nan 8.270 nan 0.000 0.568 330 D N 1.290 121.664 120.400 -0.043 0.000 2.472 330 D HA -0.079 4.561 4.640 -0.000 0.000 0.248 330 D C -0.199 176.071 176.300 -0.051 0.000 1.174 330 D CA 0.688 54.644 54.000 -0.073 0.000 0.883 330 D CB 0.170 40.952 40.800 -0.029 0.000 1.149 330 D HN 0.484 nan 8.370 nan 0.000 0.488 331 N N 3.555 122.187 118.700 -0.114 0.000 2.741 331 N HA -0.266 4.474 4.740 -0.000 0.000 0.251 331 N C -0.055 175.503 175.510 0.080 0.000 1.112 331 N CA 0.877 53.931 53.050 0.007 0.000 0.750 331 N CB -1.462 37.127 38.487 0.170 0.000 1.119 331 N HN 0.558 nan 8.380 nan 0.000 0.561 332 F N -1.819 118.193 119.950 0.102 0.000 3.093 332 F HA -0.252 4.275 4.527 -0.000 0.000 0.287 332 F C 0.987 176.853 175.800 0.109 0.000 0.882 332 F CA 0.203 58.256 58.000 0.087 0.000 1.063 332 F CB -2.080 36.945 39.000 0.042 0.000 1.097 332 F HN 0.204 nan 8.300 nan 0.000 0.604 333 I N 0.391 121.094 120.570 0.222 0.000 2.880 333 I HA 0.138 4.308 4.170 -0.000 0.000 0.296 333 I C 1.644 177.884 176.117 0.205 0.000 1.220 333 I CA 1.601 63.018 61.300 0.195 0.000 1.435 333 I CB 0.049 38.133 38.000 0.139 0.000 1.339 333 I HN 0.560 nan 8.210 nan 0.000 0.583 334 G N 4.315 113.219 108.800 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 0.901 175.850 174.900 0.083 0.000 1.033 334 G CA 0.404 45.572 45.100 0.113 0.000 0.620 334 G HN 0.572 nan 8.290 nan 0.000 0.517 335 L N 0.184 121.509 121.223 0.169 0.000 1.989 335 L HA 0.126 4.466 4.340 -0.000 0.000 0.211 335 L C 1.910 178.823 176.870 0.071 0.000 1.071 335 L CA 1.650 56.601 54.840 0.186 0.000 0.749 335 L CB -0.216 41.967 42.059 0.207 0.000 0.890 335 L HN 0.440 nan 8.230 nan 0.000 0.431 336 M N -2.057 117.507 119.600 -0.059 0.000 2.367 336 M HA 0.209 4.689 4.480 -0.000 0.000 0.339 336 M C -1.063 175.037 176.300 -0.334 0.000 1.177 336 M CA -0.374 54.742 55.300 -0.306 0.000 1.068 336 M CB 1.355 33.644 32.600 -0.519 0.000 1.602 336 M HN -0.176 nan 8.290 nan 0.000 0.457 337 Y N 1.320 121.454 120.300 -0.277 0.000 2.319 337 Y HA 0.327 4.877 4.550 -0.000 0.000 0.328 337 Y C -0.889 174.851 175.900 -0.268 0.000 1.133 337 Y CA 0.477 58.464 58.100 -0.189 0.000 1.265 337 Y CB 0.579 38.929 38.460 -0.184 0.000 1.218 337 Y HN 0.394 nan 8.280 nan 0.000 0.508 338 Y N -0.181 120.281 120.300 0.269 0.000 2.571 338 Y HA 0.212 4.762 4.550 -0.000 0.000 0.341 338 Y C -0.071 175.932 175.900 0.171 0.000 1.076 338 Y CA -2.556 55.680 58.100 0.226 0.000 1.029 338 Y CB 1.436 40.057 38.460 0.268 0.000 1.308 338 Y HN 0.683 nan 8.280 nan 0.000 0.461 339 N N -0.382 118.512 118.700 0.323 0.000 2.716 339 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 339 N C -0.693 174.906 175.510 0.148 0.000 1.033 339 N CA 0.978 54.162 53.050 0.224 0.000 0.727 339 N CB -1.230 37.414 38.487 0.263 0.000 0.950 339 N HN 0.814 nan 8.380 nan 0.000 0.541 340 S N -0.959 114.794 115.700 0.089 0.000 2.756 340 S HA 0.538 5.008 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 -0.619 57.608 58.200 0.045 0.000 1.066 340 S CB 0.978 64.247 63.200 0.115 0.000 1.008 340 S HN 0.119 nan 8.310 nan 0.000 0.482 341 T N 2.530 117.056 114.554 -0.047 0.000 2.759 341 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 341 T C 2.134 176.763 174.700 -0.119 0.000 1.042 341 T CA 2.043 64.095 62.100 -0.081 0.000 1.140 341 T CB -0.258 68.578 68.868 -0.052 0.000 0.864 341 T HN 0.824 nan 8.240 nan 0.000 0.455 342 G N 1.386 110.117 108.800 -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 0.930 175.688 174.900 -0.237 0.000 1.135 342 G CA 0.133 45.149 45.100 -0.140 0.000 0.784 342 G HN 0.475 nan 8.290 nan 0.000 0.543 343 N N 0.260 118.761 118.700 -0.332 0.000 2.644 343 N HA 0.198 4.938 4.740 -0.000 0.000 0.313 343 N C -0.615 174.601 175.510 -0.490 0.000 1.863 343 N CA -0.203 52.539 53.050 -0.513 0.000 0.918 343 N CB 0.980 38.838 38.487 -1.049 0.000 1.320 343 N HN 0.217 nan 8.380 nan 0.000 0.490 344 M N 1.177 120.527 119.600 -0.416 0.000 2.219 344 M HA 0.221 4.701 4.480 -0.000 0.000 0.353 344 M C 0.897 176.769 176.300 -0.713 0.000 1.304 344 M CA -0.115 54.891 55.300 -0.490 0.000 1.115 344 M CB 0.637 33.033 32.600 -0.340 0.000 1.664 344 M HN 0.227 nan 8.290 nan 0.000 0.459 345 G N 3.320 111.401 108.800 -1.198 0.000 2.699 345 G HA2 0.444 4.404 3.960 -0.000 0.000 0.246 345 G HA3 0.444 4.404 3.960 -0.000 0.000 0.246 345 G C -1.167 173.287 174.900 -0.743 0.000 1.219 345 G CA -0.626 43.397 45.100 -1.796 0.000 0.866 345 G HN 0.655 nan 8.290 nan 0.000 0.572 346 V N 0.547 120.276 119.914 -0.309 0.000 2.733 346 V HA 0.476 4.596 4.120 -0.000 0.000 0.306 346 V C -0.945 175.348 176.094 0.331 0.000 1.084 346 V CA -0.575 61.735 62.300 0.017 0.000 0.905 346 V CB 1.771 33.587 31.823 -0.012 0.000 1.010 346 V HN 0.686 nan 8.190 nan 0.000 0.424 347 L N 4.721 126.118 121.223 0.290 0.000 2.518 347 L HA 0.938 5.278 4.340 -0.000 0.000 0.262 347 L C -0.354 176.648 176.870 0.220 0.000 0.982 347 L CA 0.058 55.086 54.840 0.313 0.000 0.873 347 L CB 1.173 43.388 42.059 0.260 0.000 1.198 347 L HN 0.865 nan 8.230 nan 0.000 0.427 348 A N 2.809 125.773 122.820 0.240 0.000 2.515 348 A HA 0.835 5.155 4.320 -0.000 0.000 0.298 348 A C -0.181 177.560 177.584 0.261 0.000 1.059 348 A CA -0.208 51.961 52.037 0.220 0.000 0.698 348 A CB 1.311 20.398 19.000 0.145 0.000 1.289 348 A HN 0.816 nan 8.150 nan 0.000 0.404 349 G N 0.063 109.005 108.800 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 0.389 175.295 174.900 0.009 0.000 1.270 349 G CA -0.174 44.970 45.100 0.074 0.000 0.876 349 G HN 0.823 nan 8.290 nan 0.000 0.521 350 Q N 1.744 121.509 119.800 -0.059 0.000 2.234 350 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 350 Q C 2.592 178.576 176.000 -0.026 0.000 0.980 350 Q CA 1.478 57.265 55.803 -0.027 0.000 0.869 350 Q CB -0.014 28.699 28.738 -0.042 0.000 0.912 350 Q HN 0.673 nan 8.270 nan 0.000 0.436 351 A N -0.300 122.490 122.820 -0.049 0.000 2.218 351 A HA 0.134 4.454 4.320 -0.000 0.000 0.209 351 A C 2.036 179.621 177.584 0.003 0.000 1.168 351 A CA 1.169 53.188 52.037 -0.030 0.000 0.804 351 A CB -0.127 18.844 19.000 -0.048 0.000 0.834 351 A HN 0.387 nan 8.150 nan 0.000 0.482 352 S N -2.798 112.917 115.700 0.024 0.000 2.564 352 S HA 0.377 4.847 4.470 -0.000 0.000 0.231 352 S C 1.479 176.109 174.600 0.050 0.000 1.067 352 S CA 1.689 59.920 58.200 0.050 0.000 0.908 352 S CB -0.061 63.188 63.200 0.082 0.000 0.809 352 S HN 1.596 nan 8.310 nan 0.000 0.491 353 Q N -0.699 119.130 119.800 0.049 0.000 2.264 353 Q HA -0.172 4.168 4.340 -0.000 0.000 0.207 353 Q C 0.579 176.610 176.000 0.052 0.000 0.702 353 Q CA 1.418 57.248 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 0.913 nan 8.270 nan 0.000 0.683 354 L N 1.731 122.996 121.223 0.069 0.000 2.292 354 L HA 0.628 4.968 4.340 -0.000 0.000 0.284 354 L C 0.040 176.965 176.870 0.093 0.000 1.065 354 L CA -0.567 54.318 54.840 0.075 0.000 0.806 354 L CB 1.446 43.556 42.059 0.085 0.000 1.175 354 L HN 0.547 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 0.196 4.936 4.740 -0.000 0.000 0.259 355 N C 0.719 176.308 175.510 0.131 0.000 1.103 355 N CA 0.478 53.580 53.050 0.087 0.000 0.954 355 N CB 1.411 39.918 38.487 0.033 0.000 1.085 355 N HN 0.695 nan 8.380 nan 0.000 0.485 356 A N 3.507 126.428 122.820 0.167 0.000 2.067 356 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 356 A C 0.615 178.391 177.584 0.319 0.000 1.158 356 A CA 0.526 52.697 52.037 0.225 0.000 0.661 356 A CB -0.018 19.089 19.000 0.178 0.000 0.801 356 A HN 0.451 nan 8.150 nan 0.000 0.452 357 V N 0.848 120.891 119.914 0.215 0.000 2.461 357 V HA 0.365 4.485 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 -0.105 62.288 62.300 0.155 0.000 0.955 357 V CB 1.259 33.079 31.823 -0.004 0.000 0.988 357 V HN 0.097 nan 8.190 nan 0.000 0.471 358 V N 4.448 124.278 119.914 -0.140 0.000 2.498 358 V HA 0.412 4.532 4.120 -0.000 0.000 0.283 358 V C -0.570 175.356 176.094 -0.280 0.000 1.015 358 V CA -0.576 61.505 62.300 -0.365 0.000 0.867 358 V CB 1.595 32.996 31.823 -0.703 0.000 1.025 358 V HN 0.836 nan 8.190 nan 0.000 0.441 359 D N 3.159 123.453 120.400 -0.177 0.000 2.384 359 D HA 0.795 5.435 4.640 -0.000 0.000 0.250 359 D C -0.817 175.491 176.300 0.015 0.000 1.029 359 D CA -0.256 53.727 54.000 -0.028 0.000 0.990 359 D CB 2.223 42.958 40.800 -0.109 0.000 1.175 359 D HN 0.356 nan 8.370 nan 0.000 0.532 360 L N 1.221 122.509 121.223 0.108 0.000 2.388 360 L HA 0.339 4.679 4.340 -0.000 0.000 0.264 360 L C 1.316 178.255 176.870 0.115 0.000 0.998 360 L CA -0.730 54.167 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 0.083 0.000 2.297 361 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 361 Q C 0.471 176.539 176.000 0.113 0.000 0.962 361 Q CA 0.983 56.838 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 0.410 176.804 176.300 0.158 0.000 0.966 362 D CA 0.398 54.472 54.000 0.125 0.000 0.876 362 D CB 0.245 41.108 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 -0.565 175.855 176.300 0.200 0.000 1.026 363 R CA -0.482 55.733 56.100 0.192 0.000 1.058 363 R CB 0.632 31.086 30.300 0.257 0.000 1.078 363 R HN -0.202 nan 8.270 nan 0.000 0.509 364 N N 1.304 120.089 118.700 0.142 0.000 2.804 364 N HA 0.114 4.854 4.740 -0.000 0.000 0.251 364 N C -0.310 175.231 175.510 0.053 0.000 1.250 364 N CA -0.152 52.947 53.050 0.082 0.000 0.820 364 N CB 1.300 39.750 38.487 -0.061 0.000 1.156 364 N HN 0.561 nan 8.380 nan 0.000 0.512 365 T N 0.873 115.479 114.554 0.086 0.000 2.674 365 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 365 T C 1.371 176.031 174.700 -0.066 0.000 1.039 365 T CA 1.180 63.268 62.100 -0.020 0.000 1.150 365 T CB 0.170 68.926 68.868 -0.186 0.000 0.864 365 T HN 0.443 nan 8.240 nan 0.000 0.427 366 E N 0.847 121.035 120.200 -0.019 0.000 2.058 366 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 366 E C 2.275 178.891 176.600 0.028 0.000 0.997 366 E CA 0.927 57.346 56.400 0.032 0.000 0.801 366 E CB -0.575 29.186 29.700 0.103 0.000 0.746 366 E HN 0.295 nan 8.360 nan 0.000 0.450 367 L N 1.115 122.319 121.223 -0.031 0.000 2.046 367 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 367 L C 2.526 179.377 176.870 -0.033 0.000 1.077 367 L CA 1.771 56.571 54.840 -0.068 0.000 0.747 367 L CB -0.753 41.245 42.059 -0.102 0.000 0.896 367 L HN -0.004 nan 8.230 nan 0.000 0.432 368 S N -1.742 113.965 115.700 0.012 0.000 2.387 368 S HA -0.309 4.161 4.470 -0.000 0.000 0.230 368 S C 2.093 176.725 174.600 0.052 0.000 1.035 368 S CA 1.662 59.899 58.200 0.061 0.000 1.014 368 S CB -0.606 62.629 63.200 0.058 0.000 0.836 368 S HN 0.636 nan 8.310 nan 0.000 0.466 369 Y N 1.672 121.919 120.300 -0.089 0.000 2.314 369 Y HA -0.015 4.535 4.550 -0.000 0.000 0.293 369 Y C 2.554 178.379 175.900 -0.125 0.000 1.129 369 Y CA 1.641 59.672 58.100 -0.115 0.000 1.201 369 Y CB -0.292 38.100 38.460 -0.113 0.000 0.999 369 Y HN 0.276 nan 8.280 nan 0.000 0.541 370 Q N 0.086 119.857 119.800 -0.049 0.000 2.050 370 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 370 Q C 2.367 178.249 176.000 -0.196 0.000 0.980 370 Q CA 1.708 57.437 55.803 -0.123 0.000 0.840 370 Q CB -0.518 28.116 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 -0.144 4.196 4.340 -0.000 0.000 0.208 371 L C 2.412 179.005 176.870 -0.463 0.000 1.095 371 L CA 0.349 55.069 54.840 -0.200 0.000 0.770 371 L CB -0.452 41.609 42.059 0.003 0.000 0.914 371 L HN 0.175 nan 8.230 nan 0.000 0.439 372 L N -0.097 120.721 121.223 -0.676 0.000 2.046 372 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 372 L C 2.346 178.861 176.870 -0.592 0.000 1.077 372 L CA 1.634 55.888 54.840 -0.977 0.000 0.747 372 L CB -0.313 41.349 42.059 -0.661 0.000 0.896 372 L HN 0.097 nan 8.230 nan 0.000 0.432 373 L N -0.422 120.517 121.223 -0.474 0.000 2.012 373 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 373 L C 2.343 179.115 176.870 -0.164 0.000 1.073 373 L CA 1.956 56.604 54.840 -0.320 0.000 0.748 373 L CB -0.818 41.072 42.059 -0.282 0.000 0.891 373 L HN 0.414 nan 8.230 nan 0.000 0.431 374 D N -0.280 120.073 120.400 -0.079 0.000 2.149 374 D HA -0.211 4.429 4.640 -0.000 0.000 0.198 374 D C 2.249 178.535 176.300 -0.023 0.000 0.990 374 D CA 1.520 55.529 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 -0.132 115.510 115.700 -0.097 0.000 2.428 375 S HA -0.121 4.349 4.470 -0.000 0.000 0.230 375 S C 2.046 176.619 174.600 -0.045 0.000 1.014 375 S CA 0.879 59.047 58.200 -0.053 0.000 0.957 375 S CB -0.712 62.441 63.200 -0.078 0.000 0.784 375 S HN 0.577 nan 8.310 nan 0.000 0.499 376 I N -2.068 118.444 120.570 -0.097 0.000 3.956 376 I HA 0.587 4.757 4.170 -0.000 0.000 0.333 376 I C 0.697 176.788 176.117 -0.043 0.000 1.302 376 I CA -0.101 61.160 61.300 -0.063 0.000 1.122 376 I CB -0.041 37.909 38.000 -0.083 0.000 1.013 376 I HN 0.389 nan 8.210 nan 0.000 0.405 377 G N 0.848 109.624 108.800 -0.039 0.000 2.490 377 G HA2 0.118 4.078 3.960 -0.000 0.000 0.308 377 G HA3 0.118 4.078 3.960 -0.000 0.000 0.308 377 G C -2.010 172.876 174.900 -0.023 0.000 1.286 377 G CA -0.391 44.693 45.100 -0.027 0.000 0.825 377 G HN 0.051 nan 8.290 nan 0.000 0.479 378 D N 0.053 120.438 120.400 -0.025 0.000 2.456 378 D HA 0.330 4.970 4.640 -0.000 0.000 0.219 378 D C 1.452 177.735 176.300 -0.027 0.000 1.126 378 D CA -0.690 53.291 54.000 -0.032 0.000 0.890 378 D CB 0.986 41.761 40.800 -0.042 0.000 1.025 378 D HN 0.188 nan 8.370 nan 0.000 0.511 379 R N 1.143 121.624 120.500 -0.032 0.000 2.355 379 R HA -0.088 4.252 4.340 -0.000 0.000 0.219 379 R C 1.845 178.148 176.300 0.004 0.000 1.107 379 R CA 1.033 57.125 56.100 -0.013 0.000 1.021 379 R CB -1.109 29.158 30.300 -0.055 0.000 0.852 379 R HN 0.566 nan 8.270 nan 0.000 0.475 380 T N -2.284 112.246 114.554 -0.041 0.000 3.023 380 T HA 0.065 4.415 4.350 -0.000 0.000 0.266 380 T C 0.907 175.517 174.700 -0.149 0.000 1.093 380 T CA 0.147 62.202 62.100 -0.075 0.000 1.129 380 T CB 0.176 68.975 68.868 -0.114 0.000 0.899 380 T HN -0.029 nan 8.240 nan 0.000 0.491 381 R N 1.123 121.571 120.500 -0.087 0.000 2.490 381 R HA 0.354 4.694 4.340 -0.000 0.000 0.278 381 R C -0.872 175.489 176.300 0.103 0.000 1.069 381 R CA -0.435 55.595 56.100 -0.117 0.000 1.080 381 R CB 0.387 30.641 30.300 -0.077 0.000 1.030 381 R HN 0.300 nan 8.270 nan 0.000 0.491 382 Y N 1.511 121.739 120.300 -0.120 0.000 2.387 382 Y HA 0.372 4.922 4.550 -0.000 0.000 0.330 382 Y C 0.008 175.965 175.900 0.094 0.000 1.133 382 Y CA -1.309 56.715 58.100 -0.127 0.000 1.152 382 Y CB 0.820 38.960 38.460 -0.535 0.000 1.215 382 Y HN 0.357 nan 8.280 nan 0.000 0.466 383 F N 2.238 122.272 119.950 0.139 0.000 2.902 383 F HA 0.231 4.758 4.527 -0.000 0.000 0.368 383 F C 1.042 176.890 175.800 0.081 0.000 1.202 383 F CA -1.608 56.446 58.000 0.090 0.000 1.109 383 F CB 0.989 40.041 39.000 0.087 0.000 1.418 383 F HN 0.480 nan 8.300 nan 0.000 0.527 384 S N 5.003 120.812 115.700 0.181 0.000 2.380 384 S HA -0.300 4.170 4.470 -0.000 0.000 0.229 384 S C 2.141 176.505 174.600 -0.394 0.000 1.043 384 S CA 1.663 59.847 58.200 -0.027 0.000 1.038 384 S CB -0.562 62.678 63.200 0.066 0.000 0.872 384 S HN 0.791 nan 8.310 nan 0.000 0.456 385 M N -0.024 119.020 119.600 -0.927 0.000 2.113 385 M HA -0.164 4.316 4.480 -0.000 0.000 0.255 385 M C 1.250 177.060 176.300 -0.817 0.000 1.073 385 M CA 2.237 56.843 55.300 -1.157 0.000 1.091 385 M CB -0.310 31.203 32.600 -1.812 0.000 1.309 385 M HN 0.611 nan 8.290 nan 0.000 0.407 386 W N -0.686 120.300 121.300 -0.524 0.000 3.330 386 W HA 0.245 4.905 4.660 -0.000 0.000 0.348 386 W C 0.475 176.777 176.519 -0.361 0.000 1.205 386 W CA -0.611 56.627 57.345 -0.177 0.000 1.841 386 W CB -0.175 29.224 29.460 -0.102 0.000 1.084 386 W HN 0.376 nan 8.180 nan 0.000 0.665 387 N N 1.253 119.794 118.700 -0.265 0.000 2.747 387 N HA -0.258 4.482 4.740 -0.000 0.000 0.249 387 N C 0.020 175.405 175.510 -0.210 0.000 1.107 387 N CA 0.696 53.493 53.050 -0.423 0.000 0.707 387 N CB -1.128 36.628 38.487 -1.219 0.000 1.054 387 N HN 0.339 nan 8.380 nan 0.000 0.555 388 Q N 0.228 120.011 119.800 -0.028 0.000 2.641 388 Q HA 0.459 4.799 4.340 -0.000 0.000 0.225 388 Q C -0.751 175.255 176.000 0.011 0.000 1.309 388 Q CA 0.372 56.223 55.803 0.079 0.000 0.935 388 Q CB -0.008 28.894 28.738 0.274 0.000 1.557 388 Q HN 0.410 nan 8.270 nan 0.000 0.563 389 A N 3.701 126.436 122.820 -0.141 0.000 2.768 389 A HA 0.248 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 1.000 19.517 19.000 -0.805 0.000 1.267 389 A HN 0.484 nan 8.150 nan 0.000 0.421 390 V N 2.559 122.430 119.914 -0.073 0.000 2.814 390 V HA -0.003 4.117 4.120 -0.000 0.000 0.307 390 V C 0.052 176.142 176.094 -0.007 0.000 1.089 390 V CA 0.493 62.787 62.300 -0.009 0.000 1.212 390 V CB 0.371 32.211 31.823 0.028 0.000 0.912 390 V HN 0.790 nan 8.190 nan 0.000 0.497 391 D N 4.828 125.223 120.400 -0.008 0.000 2.383 391 D HA 0.372 5.012 4.640 -0.000 0.000 0.252 391 D C 0.062 176.466 176.300 0.173 0.000 1.166 391 D CA 0.427 54.460 54.000 0.055 0.000 0.879 391 D CB 1.323 42.099 40.800 -0.040 0.000 1.164 391 D HN 0.813 nan 8.370 nan 0.000 0.462 392 S N 1.263 117.123 115.700 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 0.115 0.000 1.179 392 S CA -0.915 57.397 58.200 0.187 0.000 0.838 392 S CB 1.761 64.957 63.200 -0.007 0.000 1.206 392 S HN 0.509 nan 8.310 nan 0.000 0.523 393 Y N -1.246 119.019 120.300 -0.058 0.000 2.625 393 Y HA 0.718 5.268 4.550 -0.000 0.000 0.338 393 Y C -1.313 174.470 175.900 -0.195 0.000 1.123 393 Y CA -1.310 56.645 58.100 -0.242 0.000 1.046 393 Y CB 0.287 38.444 38.460 -0.506 0.000 1.299 393 Y HN 0.645 nan 8.280 nan 0.000 0.464 394 D N 3.185 123.621 120.400 0.060 0.000 2.371 394 D HA 0.220 4.860 4.640 -0.000 0.000 0.256 394 D C -1.770 174.624 176.300 0.156 0.000 1.193 394 D CA -2.031 51.998 54.000 0.048 0.000 0.881 394 D CB 1.617 42.416 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 0.563 177.918 177.300 0.092 0.000 1.148 395 P CA 0.883 64.065 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 -1.330 119.134 120.400 0.106 0.000 2.348 396 D HA -0.034 4.606 4.640 -0.000 0.000 0.216 396 D C 1.776 178.198 176.300 0.203 0.000 0.970 396 D CA 0.600 54.697 54.000 0.161 0.000 0.889 396 D CB 0.012 40.917 40.800 0.176 0.000 0.912 396 D HN 0.083 nan 8.370 nan 0.000 0.524 397 V N 0.277 120.227 119.914 0.059 0.000 2.672 397 V HA -0.043 4.077 4.120 -0.000 0.000 0.242 397 V C 2.377 178.334 176.094 -0.228 0.000 1.059 397 V CA 0.592 62.819 62.300 -0.122 0.000 1.081 397 V CB -0.030 31.572 31.823 -0.368 0.000 0.752 397 V HN -0.029 nan 8.190 nan 0.000 0.472 398 R N 0.567 120.896 120.500 -0.285 0.000 2.075 398 R HA 0.067 4.407 4.340 -0.000 0.000 0.232 398 R C 0.557 176.717 176.300 -0.234 0.000 1.126 398 R CA 1.486 57.338 56.100 -0.414 0.000 0.963 398 R CB -0.093 29.805 30.300 -0.670 0.000 0.858 398 R HN 0.450 nan 8.270 nan 0.000 0.435 399 I N 1.436 121.939 120.570 -0.110 0.000 2.411 399 I HA 0.266 4.436 4.170 -0.000 0.000 0.284 399 I C -0.671 175.465 176.117 0.033 0.000 1.012 399 I CA -0.701 60.560 61.300 -0.064 0.000 1.119 399 I CB 1.964 39.928 38.000 -0.059 0.000 1.261 399 I HN 0.001 nan 8.210 nan 0.000 0.448 400 I N 5.940 126.551 120.570 0.068 0.000 2.533 400 I HA 0.080 4.250 4.170 -0.000 0.000 0.284 400 I C 0.616 176.845 176.117 0.186 0.000 1.109 400 I CA 0.287 61.691 61.300 0.173 0.000 1.412 400 I CB 0.483 38.601 38.000 0.197 0.000 1.396 400 I HN 0.627 nan 8.210 nan 0.000 0.543 401 E N 6.677 126.992 120.200 0.191 0.000 2.256 401 E HA 0.133 4.483 4.350 -0.000 0.000 0.243 401 E C -0.675 175.933 176.600 0.013 0.000 0.925 401 E CA -0.602 55.870 56.400 0.122 0.000 0.748 401 E CB 0.561 30.328 29.700 0.112 0.000 1.206 401 E HN 0.432 nan 8.360 nan 0.000 0.428 402 N N 3.414 122.161 118.700 0.078 0.000 2.663 402 N HA -0.013 4.727 4.740 -0.000 0.000 0.250 402 N C 0.128 175.567 175.510 -0.118 0.000 1.129 402 N CA -0.042 53.010 53.050 0.003 0.000 0.995 402 N CB 0.197 38.817 38.487 0.223 0.000 1.324 402 N HN 0.561 nan 8.380 nan 0.000 0.512 403 H N 1.419 120.371 119.070 -0.197 0.000 2.529 403 H HA 0.287 4.843 4.556 -0.000 0.000 0.277 403 H C 1.071 176.264 175.328 -0.225 0.000 1.004 403 H CA 0.073 56.015 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 1.752 110.336 108.800 -0.360 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 -0.188 174.464 174.900 -0.413 0.000 1.246 404 G CA 0.177 45.099 45.100 -0.296 0.000 0.919 404 G HN 0.864 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 0.691 5.041 4.350 -0.000 0.000 0.299 405 T C -0.548 174.109 174.700 -0.071 0.000 1.073 405 T CA -0.145 61.871 62.100 -0.139 0.000 0.999 405 T CB 2.338 71.163 68.868 -0.071 0.000 1.098 405 T HN 0.671 nan 8.240 nan 0.000 0.477 406 E N 2.280 122.443 120.200 -0.062 0.000 1.964 406 E HA 0.168 4.518 4.350 -0.000 0.000 0.264 406 E C -0.278 176.296 176.600 -0.043 0.000 1.120 406 E CA -0.414 55.957 56.400 -0.048 0.000 1.061 406 E CB 0.077 29.748 29.700 -0.047 0.000 1.190 406 E HN 0.676 nan 8.360 nan 0.000 0.459 407 D N 1.224 121.599 120.400 -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 0.307 120.481 120.200 -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 0.782 57.159 56.400 -0.038 0.000 0.799 408 E CB 0.103 29.785 29.700 -0.030 0.000 0.748 408 E HN 0.408 nan 8.360 nan 0.000 0.449 409 L N 2.415 123.606 121.223 -0.053 0.000 2.371 409 L HA 0.245 4.585 4.340 -0.000 0.000 0.272 409 L C -2.003 174.791 176.870 -0.127 0.000 1.124 409 L CA -1.960 52.841 54.840 -0.064 0.000 0.816 409 L CB 0.320 42.349 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 -1.527 175.416 177.300 -0.595 0.000 1.249 410 P CA -0.601 62.265 63.100 -0.391 0.000 0.810 410 P CB 0.640 32.065 31.700 -0.459 0.000 1.008 411 N N 1.046 119.366 118.700 -0.634 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 -0.626 0.000 1.008 411 N CA -0.477 52.270 53.050 -0.506 0.000 0.880 411 N CB 0.875 39.218 38.487 -0.240 0.000 1.239 411 N HN 0.356 nan 8.380 nan 0.000 0.484 412 Y N 0.003 120.198 120.300 -0.175 0.000 2.598 412 Y HA 0.636 5.186 4.550 -0.000 0.000 0.340 412 Y C 0.222 175.800 175.900 -0.536 0.000 1.038 412 Y CA -1.426 56.416 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 0.519 nan 8.280 nan 0.000 0.488 413 C N 0.391 119.386 119.300 -0.509 0.000 2.455 413 C HA 0.916 5.376 4.460 -0.000 0.000 0.320 413 C C -1.024 173.574 174.990 -0.653 0.000 1.226 413 C CA -1.048 57.733 59.018 -0.395 0.000 1.569 413 C CB -0.788 26.854 27.740 -0.163 0.000 2.200 413 C HN 0.613 nan 8.230 nan 0.000 0.491 414 F N 1.031 120.970 119.950 -0.017 0.000 2.639 414 F HA 0.803 5.330 4.527 -0.000 0.000 0.339 414 F C -1.976 173.819 175.800 -0.008 0.000 1.071 414 F CA -2.320 55.657 58.000 -0.038 0.000 0.994 414 F CB 0.331 39.303 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 1.158 122.350 121.223 -0.051 0.000 2.089 416 L HA -0.180 4.160 4.340 -0.000 0.000 0.213 416 L C 2.143 178.632 176.870 -0.636 0.000 1.079 416 L CA 2.225 56.948 54.840 -0.196 0.000 0.758 416 L CB -1.245 40.790 42.059 -0.040 0.000 0.891 416 L HN 0.586 nan 8.230 nan 0.000 0.433 417 G N -1.809 106.436 108.800 -0.925 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 44.580 45.100 -1.688 0.000 0.776 417 G HN 0.552 nan 8.290 nan 0.000 0.541 418 G N -1.682 106.911 108.800 -0.346 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 0.096 174.952 174.900 -0.072 0.000 0.978 418 G CA 0.511 45.504 45.100 -0.178 0.000 0.632 418 G HN 1.194 nan 8.290 nan 0.000 0.537 419 V N -0.344 119.543 119.914 -0.046 0.000 3.023 419 V HA 0.673 4.793 4.120 -0.000 0.000 0.294 419 V C 0.275 176.427 176.094 0.098 0.000 1.324 419 V CA 0.028 62.358 62.300 0.049 0.000 0.979 419 V CB 1.968 33.818 31.823 0.046 0.000 1.093 419 V HN 0.365 nan 8.190 nan 0.000 0.434 420 I N 2.724 123.367 120.570 0.121 0.000 4.770 420 I HA 0.330 4.500 4.170 -0.000 0.000 0.327 420 I C 0.537 176.697 176.117 0.072 0.000 1.271 420 I CA 0.188 61.562 61.300 0.122 0.000 1.320 420 I CB 0.796 38.865 38.000 0.116 0.000 1.319 420 I HN 0.618 nan 8.210 nan 0.000 0.462 421 N N 2.825 121.554 118.700 0.049 0.000 2.802 421 N HA 0.113 4.853 4.740 -0.000 0.000 0.288 421 N C -0.112 175.416 175.510 0.030 0.000 1.268 421 N CA 0.178 53.238 53.050 0.017 0.000 1.035 421 N CB -0.114 38.369 38.487 -0.008 0.000 1.353 421 N HN 0.369 nan 8.380 nan 0.000 0.522 422 T N -1.555 113.026 114.554 0.045 0.000 2.860 422 T HA 0.205 4.555 4.350 -0.000 0.000 0.299 422 T C 0.320 175.033 174.700 0.021 0.000 1.045 422 T CA -0.637 61.487 62.100 0.039 0.000 1.071 422 T CB 1.393 70.294 68.868 0.054 0.000 0.985 422 T HN 0.379 nan 8.240 nan 0.000 0.537 423 E N 0.669 120.877 120.200 0.013 0.000 2.210 423 E HA 0.355 4.705 4.350 -0.000 0.000 0.266 423 E C -1.097 175.504 176.600 0.001 0.000 0.883 423 E CA -0.997 55.405 56.400 0.004 0.000 0.761 423 E CB 1.322 31.020 29.700 -0.003 0.000 1.156 423 E HN 0.597 nan 8.360 nan 0.000 0.412 424 T N 4.286 118.839 114.554 -0.000 0.000 2.902 424 T HA 0.232 4.582 4.350 -0.000 0.000 0.301 424 T C 0.197 174.893 174.700 -0.006 0.000 1.012 424 T CA 0.075 62.175 62.100 -0.001 0.000 1.151 424 T CB 0.061 68.928 68.868 -0.001 0.000 0.946 424 T HN 0.367 nan 8.240 nan 0.000 0.542 425 L N 1.843 123.063 121.223 -0.005 0.000 2.303 425 L HA 0.640 4.980 4.340 -0.000 0.000 0.256 425 L C 0.134 176.999 176.870 -0.008 0.000 1.034 425 L CA -1.055 53.776 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 0.693 115.236 114.554 -0.019 0.000 2.848 426 T HA 0.239 4.589 4.350 -0.000 0.000 0.285 426 T C -0.577 174.107 174.700 -0.027 0.000 0.995 426 T CA -0.575 61.521 62.100 -0.007 0.000 0.970 426 T CB 1.841 70.710 68.868 0.002 0.000 0.976 426 T HN 0.369 nan 8.240 nan 0.000 0.441 427 K N 2.663 123.052 120.400 -0.020 0.000 2.382 427 K HA 0.480 4.800 4.320 -0.000 0.000 0.275 427 K C -0.873 175.716 176.600 -0.019 0.000 1.009 427 K CA -0.214 56.032 56.287 -0.068 0.000 0.970 427 K CB 0.479 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 1.774 121.681 119.914 -0.013 0.000 3.040 428 V HA 0.608 4.728 4.120 -0.000 0.000 0.312 428 V C -0.605 175.594 176.094 0.175 0.000 1.115 428 V CA -0.749 61.600 62.300 0.083 0.000 0.998 428 V CB 1.909 33.773 31.823 0.069 0.000 1.042 428 V HN 0.903 nan 8.190 nan 0.000 0.433 429 K N 3.612 124.150 120.400 0.229 0.000 2.316 429 K HA 0.896 5.216 4.320 -0.000 0.000 0.251 429 K C -3.047 173.656 176.600 0.173 0.000 0.934 429 K CA -1.872 54.526 56.287 0.186 0.000 0.802 429 K CB 1.637 34.185 32.500 0.079 0.000 1.171 429 K HN 0.506 nan 8.250 nan 0.000 0.426 438 W N 0.138 121.434 121.300 -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 56.968 57.345 -0.009 0.000 1.209 438 W CB 2.030 31.482 29.460 -0.012 0.000 1.420 438 W HN 0.795 nan 8.180 nan 0.000 0.516 439 E N 0.345 120.673 120.200 0.214 0.000 2.256 439 E HA 0.647 4.997 4.350 -0.000 0.000 0.268 439 E C -0.319 176.355 176.600 0.124 0.000 0.877 439 E CA -0.871 55.604 56.400 0.125 0.000 0.757 439 E CB 0.874 30.610 29.700 0.060 0.000 1.183 439 E HN 0.649 nan 8.360 nan 0.000 0.418 440 K N 1.380 121.835 120.400 0.091 0.000 2.469 440 K HA 0.323 4.643 4.320 -0.000 0.000 0.274 440 K C -0.190 176.451 176.600 0.068 0.000 0.983 440 K CA 0.372 56.702 56.287 0.071 0.000 0.974 440 K CB 0.391 32.922 32.500 0.051 0.000 0.913 440 K HN 0.696 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 0.786 5.426 4.640 -0.000 0.000 0.245 441 D C -0.661 175.692 176.300 0.088 0.000 1.009 441 D CA 0.575 54.621 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 0.817 nan 8.370 nan 0.000 0.460 446 S N 0.002 115.810 115.700 0.179 0.000 2.672 446 S HA 0.452 4.922 4.470 -0.000 0.000 0.276 446 S C 0.625 175.281 174.600 0.093 0.000 1.207 446 S CA -0.396 57.860 58.200 0.092 0.000 1.002 446 S CB 0.274 63.501 63.200 0.045 0.000 0.998 446 S HN 0.552 nan 8.310 nan 0.000 0.542 447 D N 0.389 120.820 120.400 0.053 0.000 2.269 447 D HA 0.171 4.811 4.640 -0.000 0.000 0.208 447 D C 0.602 176.920 176.300 0.030 0.000 0.963 447 D CA 1.370 55.393 54.000 0.039 0.000 0.864 447 D CB -0.199 40.616 40.800 0.025 0.000 0.936 447 D HN 0.666 nan 8.370 nan 0.000 0.505 448 K N 1.246 121.664 120.400 0.029 0.000 2.640 448 K HA 0.372 4.692 4.320 -0.000 0.000 0.245 448 K C -0.748 175.866 176.600 0.023 0.000 0.962 448 K CA -0.820 55.478 56.287 0.019 0.000 0.896 448 K CB 0.429 32.932 32.500 0.005 0.000 1.147 448 K HN -0.040 nan 8.250 nan 0.000 0.445 449 N N 1.969 120.687 118.700 0.030 0.000 2.342 449 N HA 0.293 5.033 4.740 -0.000 0.000 0.293 449 N C -1.111 174.412 175.510 0.021 0.000 1.026 449 N CA -0.619 52.453 53.050 0.036 0.000 0.857 449 N CB 2.175 40.700 38.487 0.063 0.000 1.256 449 N HN 0.661 nan 8.380 nan 0.000 0.484 450 E N 1.738 121.950 120.200 0.021 0.000 2.167 450 E HA 0.464 4.814 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 -0.058 56.357 56.400 0.024 0.000 0.817 450 E CB 1.327 31.044 29.700 0.028 0.000 1.080 450 E HN 0.419 nan 8.360 nan 0.000 0.397 451 I N 2.585 123.169 120.570 0.022 0.000 2.533 451 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 451 I C -0.480 175.648 176.117 0.018 0.000 1.056 451 I CA -1.121 60.190 61.300 0.019 0.000 1.057 451 I CB 1.861 39.862 38.000 0.002 0.000 1.240 451 I HN 0.292 nan 8.210 nan 0.000 0.423 452 R N 5.617 126.131 120.500 0.024 0.000 2.234 452 R HA 0.482 4.822 4.340 -0.000 0.000 0.324 452 R C -1.564 174.743 176.300 0.012 0.000 1.054 452 R CA -0.210 55.905 56.100 0.025 0.000 0.912 452 R CB 0.927 31.250 30.300 0.037 0.000 1.030 452 R HN 0.419 nan 8.270 nan 0.000 0.455 453 V N 6.014 125.933 119.914 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 0.660 62.960 62.300 0.001 0.000 0.851 453 V CB 0.295 32.113 31.823 -0.009 0.000 1.000 453 V HN 1.068 nan 8.190 nan 0.000 0.456 454 G N 5.361 114.164 108.800 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 -0.615 174.293 174.900 0.012 0.000 1.248 454 G CA -0.756 44.349 45.100 0.008 0.000 1.033 454 G HN 0.552 nan 8.290 nan 0.000 0.502 455 N N 1.087 119.796 118.700 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 0.219 38.704 38.487 -0.003 0.000 1.190 455 N HN 0.916 nan 8.380 nan 0.000 0.495 456 N N -0.575 118.156 118.700 0.052 0.000 2.408 456 N HA 0.112 4.852 4.740 -0.000 0.000 0.260 456 N C -0.668 174.944 175.510 0.170 0.000 1.242 456 N CA -0.381 52.735 53.050 0.110 0.000 0.959 456 N CB 0.131 38.678 38.487 0.100 0.000 1.201 456 N HN 0.382 nan 8.380 nan 0.000 0.511 457 F N -0.098 119.888 119.950 0.061 0.000 2.467 457 F HA 0.530 5.057 4.527 -0.000 0.000 0.362 457 F C -0.167 175.656 175.800 0.038 0.000 1.090 457 F CA -0.714 57.310 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 0.727 nan 8.300 nan 0.000 0.541 458 A N 7.642 130.033 122.820 -0.715 0.000 2.498 458 A HA 0.806 5.126 4.320 -0.000 0.000 0.298 458 A C -1.249 175.872 177.584 -0.772 0.000 1.075 458 A CA -0.903 50.699 52.037 -0.724 0.000 0.714 458 A CB 1.545 20.195 19.000 -0.584 0.000 1.299 458 A HN 0.669 nan 8.150 nan 0.000 0.407 459 M N 1.440 120.701 119.600 -0.565 0.000 2.393 459 M HA 0.446 4.926 4.480 -0.000 0.000 0.316 459 M C -0.433 175.789 176.300 -0.129 0.000 1.087 459 M CA -0.175 54.933 55.300 -0.320 0.000 0.937 459 M CB 1.724 34.171 32.600 -0.256 0.000 1.668 459 M HN 0.930 nan 8.290 nan 0.000 0.438 460 E N 2.234 122.411 120.200 -0.039 0.000 2.222 460 E HA 0.763 5.113 4.350 -0.000 0.000 0.272 460 E C -1.659 174.887 176.600 -0.091 0.000 0.982 460 E CA -0.598 55.783 56.400 -0.033 0.000 0.842 460 E CB 2.529 32.236 29.700 0.011 0.000 1.144 460 E HN 0.699 nan 8.360 nan 0.000 0.397 461 I N 2.706 123.188 120.570 -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 1.955 39.906 38.000 -0.081 0.000 1.313 461 I HN 0.402 nan 8.210 nan 0.000 0.431 462 N N 7.605 126.243 118.700 -0.105 0.000 2.767 462 N HA 0.291 5.031 4.740 -0.000 0.000 0.238 462 N C 0.797 176.279 175.510 -0.046 0.000 1.083 462 N CA -0.153 52.845 53.050 -0.088 0.000 0.964 462 N CB 0.519 38.959 38.487 -0.078 0.000 1.252 462 N HN 0.728 nan 8.380 nan 0.000 0.512 463 L N 1.836 123.028 121.223 -0.051 0.000 1.963 463 L HA -0.278 4.062 4.340 -0.000 0.000 0.220 463 L C 1.773 178.651 176.870 0.012 0.000 1.076 463 L CA 1.230 56.058 54.840 -0.020 0.000 0.772 463 L CB -0.431 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 0.078 118.782 118.700 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 54.727 53.050 0.031 0.000 0.852 464 N CB -0.385 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 1.712 124.576 122.820 0.074 0.000 1.908 465 A HA -0.153 4.167 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 1.280 53.398 52.037 0.133 0.000 0.627 465 A CB -0.540 18.508 19.000 0.079 0.000 0.818 465 A HN 0.281 nan 8.150 nan 0.000 0.445 466 N N 0.161 118.912 118.700 0.085 0.000 2.025 466 N HA -0.143 4.597 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 1.735 54.826 53.050 0.069 0.000 0.851 466 N CB -0.468 38.039 38.487 0.035 0.000 1.036 466 N HN 0.497 nan 8.380 nan 0.000 0.422 467 L N 0.091 121.390 121.223 0.126 0.000 1.990 467 L HA -0.224 4.116 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 1.423 56.361 54.840 0.163 0.000 0.755 467 L CB -0.637 41.504 42.059 0.136 0.000 0.889 467 L HN 0.458 nan 8.230 nan 0.000 0.432 468 W N 1.381 122.713 121.300 0.053 0.000 2.321 468 W HA -0.273 4.387 4.660 -0.000 0.000 0.306 468 W C 2.730 179.335 176.519 0.143 0.000 1.217 468 W CA 1.402 58.791 57.345 0.073 0.000 1.257 468 W CB -0.126 29.342 29.460 0.013 0.000 1.145 468 W HN 0.124 nan 8.180 nan 0.000 0.509 469 R N 0.265 120.779 120.500 0.024 0.000 2.080 469 R HA -0.217 4.123 4.340 -0.000 0.000 0.236 469 R C 1.907 178.183 176.300 -0.040 0.000 1.137 469 R CA 2.315 58.350 56.100 -0.108 0.000 0.943 469 R CB -0.706 29.573 30.300 -0.035 0.000 0.846 469 R HN 0.156 nan 8.270 nan 0.000 0.431 470 N N -0.152 118.580 118.700 0.053 0.000 2.137 470 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 470 N C 1.338 176.926 175.510 0.131 0.000 1.017 470 N CA 1.363 54.469 53.050 0.094 0.000 0.859 470 N CB -0.290 38.261 38.487 0.107 0.000 1.002 470 N HN 0.183 nan 8.380 nan 0.000 0.428 471 F N 0.788 120.735 119.950 -0.006 0.000 2.146 471 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 471 F C 1.704 177.443 175.800 -0.103 0.000 1.096 471 F CA 1.014 59.010 58.000 -0.007 0.000 1.275 471 F CB -0.179 38.846 39.000 0.041 0.000 1.008 471 F HN -0.031 nan 8.300 nan 0.000 0.480 472 L N -1.153 119.906 121.223 -0.272 0.000 2.027 472 L HA -0.219 4.121 4.340 -0.000 0.000 0.206 472 L C 2.326 179.063 176.870 -0.222 0.000 1.074 472 L CA 1.518 56.126 54.840 -0.388 0.000 0.745 472 L CB -1.049 40.727 42.059 -0.470 0.000 0.898 472 L HN 0.176 nan 8.230 nan 0.000 0.433 473 Y N 0.125 120.295 120.300 -0.215 0.000 2.145 473 Y HA -0.309 4.241 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 1.800 59.812 58.100 -0.146 0.000 1.148 473 Y CB -0.277 38.112 38.460 -0.118 0.000 0.981 473 Y HN 0.148 nan 8.280 nan 0.000 0.507 474 S N -0.096 115.598 115.700 -0.011 0.000 2.356 474 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 474 S C 1.796 176.426 174.600 0.050 0.000 1.032 474 S CA 1.780 59.973 58.200 -0.013 0.000 1.005 474 S CB -0.434 62.807 63.200 0.068 0.000 0.867 474 S HN 0.619 nan 8.310 nan 0.000 0.449 475 N N 0.037 118.679 118.700 -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 1.120 54.148 53.050 -0.038 0.000 0.897 475 N CB 0.064 38.280 38.487 -0.453 0.000 0.991 475 N HN 0.439 nan 8.380 nan 0.000 0.441 476 I N 0.606 121.103 120.570 -0.121 0.000 3.345 476 I HA 0.135 4.305 4.170 -0.000 0.000 0.258 476 I C 2.261 178.341 176.117 -0.062 0.000 1.134 476 I CA 0.272 61.530 61.300 -0.071 0.000 1.457 476 I CB -0.518 37.400 38.000 -0.138 0.000 1.425 476 I HN -0.141 nan 8.210 nan 0.000 0.461 477 A N 1.458 124.162 122.820 -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 2.136 53.991 52.037 -0.303 0.000 0.650 477 A CB -1.390 17.297 19.000 -0.521 0.000 0.836 477 A HN 0.405 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 2.007 178.580 176.870 -0.495 0.000 1.114 478 L CA 1.056 55.579 54.840 -0.528 0.000 0.777 478 L CB -0.436 41.267 42.059 -0.594 0.000 0.910 478 L HN 0.544 nan 8.230 nan 0.000 0.440 479 Y N -0.964 119.206 120.300 -0.217 0.000 2.466 479 Y HA 0.174 4.724 4.550 -0.000 0.000 0.272 479 Y C 1.138 176.966 175.900 -0.120 0.000 1.169 479 Y CA -0.641 57.375 58.100 -0.140 0.000 1.285 479 Y CB -0.148 38.271 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 2.499 480 L HA 0.003 4.343 4.340 -0.000 0.000 0.281 480 L C -1.891 174.920 176.870 -0.100 0.000 1.234 480 L CA -1.654 53.137 54.840 -0.082 0.000 0.839 480 L CB 0.054 42.027 42.059 -0.144 0.000 1.104 480 L HN -0.060 nan 8.230 nan 0.000 0.500 481 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 -0.104 62.949 63.100 -0.078 0.000 0.776 481 P CB 0.554 32.213 31.700 -0.067 0.000 0.876 482 D N 2.410 122.777 120.400 -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 1.437 55.414 54.000 -0.038 0.000 0.846 482 D CB -0.147 40.692 40.800 0.065 0.000 0.941 482 D HN 0.437 nan 8.370 nan 0.000 0.456 483 K N 0.363 120.734 120.400 -0.048 0.000 2.218 483 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 483 K C 1.834 178.384 176.600 -0.084 0.000 1.046 483 K CA 1.060 57.318 56.287 -0.048 0.000 0.933 483 K CB -0.385 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 0.096 4.436 4.340 -0.000 0.000 0.225 484 L C 0.887 177.697 176.870 -0.100 0.000 1.128 484 L CA 0.132 54.867 54.840 -0.175 0.000 0.868 484 L CB 0.036 41.901 42.059 -0.322 0.000 1.006 484 L HN 0.097 nan 8.230 nan 0.000 0.454 485 K N -0.063 120.275 120.400 -0.103 0.000 2.209 485 K HA 0.464 4.784 4.320 -0.000 0.000 0.238 485 K C -1.114 175.477 176.600 -0.015 0.000 1.028 485 K CA -0.622 55.586 56.287 -0.132 0.000 0.935 485 K CB 1.225 33.585 32.500 -0.234 0.000 1.162 485 K HN -0.140 nan 8.250 nan 0.000 0.485 486 Y N -3.027 117.199 120.300 -0.123 0.000 2.581 486 Y HA 0.401 4.951 4.550 -0.000 0.000 0.337 486 Y C -1.016 174.814 175.900 -0.118 0.000 1.108 486 Y CA -1.170 56.869 58.100 -0.102 0.000 1.033 486 Y CB 0.916 39.324 38.460 -0.087 0.000 1.318 486 Y HN 0.351 nan 8.280 nan 0.000 0.459 487 S N 4.462 120.230 115.700 0.114 0.000 2.565 487 S HA 0.424 4.894 4.470 -0.000 0.000 0.276 487 S C -2.457 172.217 174.600 0.123 0.000 1.326 487 S CA -0.859 57.352 58.200 0.019 0.000 1.045 487 S CB 0.281 63.494 63.200 0.022 0.000 0.918 487 S HN 0.555 nan 8.310 nan 0.000 0.505 488 P HA 0.258 nan 4.420 nan 0.000 0.277 488 P C -0.944 176.385 177.300 0.049 0.000 1.240 488 P CA -0.614 62.521 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 1.739 117.471 115.700 0.053 0.000 2.565 489 S HA 0.190 4.660 4.470 -0.000 0.000 0.274 489 S C 0.415 174.993 174.600 -0.036 0.000 1.309 489 S CA -0.633 57.572 58.200 0.009 0.000 1.043 489 S CB -0.316 62.889 63.200 0.009 0.000 0.939 489 S HN 0.538 nan 8.310 nan 0.000 0.504 490 N N -0.890 117.786 118.700 -0.040 0.000 2.725 490 N HA -0.144 4.596 4.740 -0.000 0.000 0.249 490 N C -1.110 174.367 175.510 -0.054 0.000 1.103 490 N CA 0.589 53.605 53.050 -0.057 0.000 0.707 490 N CB -1.544 36.886 38.487 -0.095 0.000 1.043 490 N HN 0.444 nan 8.380 nan 0.000 0.553 491 V N -0.459 119.435 119.914 -0.033 0.000 2.569 491 V HA 0.560 4.680 4.120 -0.000 0.000 0.301 491 V C 0.602 176.686 176.094 -0.017 0.000 1.044 491 V CA -0.693 61.591 62.300 -0.026 0.000 0.874 491 V CB 1.873 33.684 31.823 -0.021 0.000 1.002 491 V HN 0.334 nan 8.190 nan 0.000 0.424 492 K N 4.676 125.068 120.400 -0.012 0.000 2.448 492 K HA 0.635 4.955 4.320 -0.000 0.000 0.278 492 K C -0.579 176.015 176.600 -0.009 0.000 1.009 492 K CA 0.329 56.613 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 0.771 nan 8.250 nan 0.000 0.481 493 I N 1.042 121.614 120.570 0.003 0.000 2.722 493 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 493 I C 0.324 176.475 176.117 0.056 0.000 1.161 493 I CA -0.636 60.669 61.300 0.009 0.000 1.032 493 I CB 2.261 40.249 38.000 -0.019 0.000 1.244 493 I HN 0.842 nan 8.210 nan 0.000 0.421 494 S N 3.706 119.453 115.700 0.078 0.000 2.569 494 S HA 0.011 4.481 4.470 -0.000 0.000 0.274 494 S C 0.496 175.158 174.600 0.102 0.000 1.353 494 S CA 0.574 58.824 58.200 0.082 0.000 1.023 494 S CB 0.724 63.966 63.200 0.071 0.000 0.876 494 S HN 0.732 nan 8.310 nan 0.000 0.540 495 D N 0.801 121.213 120.400 0.021 0.000 2.327 495 D HA 0.126 4.766 4.640 -0.000 0.000 0.205 495 D C 0.010 176.226 176.300 -0.139 0.000 0.989 495 D CA 0.293 54.275 54.000 -0.031 0.000 0.873 495 D CB 0.042 40.828 40.800 -0.022 0.000 0.955 495 D HN 0.421 nan 8.370 nan 0.000 0.515 496 N N 0.796 119.420 118.700 -0.127 0.000 2.406 496 N HA 0.075 4.815 4.740 -0.000 0.000 0.251 496 N C -1.928 173.373 175.510 -0.348 0.000 1.069 496 N CA -1.909 51.033 53.050 -0.181 0.000 0.947 496 N CB 1.433 39.872 38.487 -0.079 0.000 1.111 496 N HN -0.113 nan 8.380 nan 0.000 0.497 497 P HA 0.014 nan 4.420 nan 0.000 0.229 497 P C 0.134 177.280 177.300 -0.256 0.000 1.160 497 P CA 0.782 63.365 63.100 -0.862 0.000 0.777 497 P CB 0.421 31.692 31.700 -0.714 0.000 0.814 498 N N -0.983 117.632 118.700 -0.142 0.000 2.383 498 N HA 0.016 4.756 4.740 -0.000 0.000 0.192 498 N C 0.521 176.030 175.510 -0.002 0.000 1.141 498 N CA 0.544 53.571 53.050 -0.038 0.000 0.851 498 N CB -0.318 38.150 38.487 -0.031 0.000 0.976 498 N HN 0.104 nan 8.380 nan 0.000 0.465 499 T N -0.326 114.231 114.554 0.005 0.000 2.922 499 T HA 0.085 4.435 4.350 -0.000 0.000 0.285 499 T C 0.961 175.718 174.700 0.094 0.000 1.005 499 T CA -0.439 61.695 62.100 0.056 0.000 1.061 499 T CB 1.266 70.164 68.868 0.049 0.000 1.007 499 T HN 0.145 nan 8.240 nan 0.000 0.502 500 Y N 2.242 122.527 120.300 -0.025 0.000 2.220 500 Y HA -0.077 4.473 4.550 -0.000 0.000 0.291 500 Y C 2.181 178.034 175.900 -0.078 0.000 1.129 500 Y CA 2.079 60.141 58.100 -0.063 0.000 1.161 500 Y CB -0.204 38.204 38.460 -0.086 0.000 0.997 500 Y HN 0.849 nan 8.280 nan 0.000 0.522 501 D N -0.931 119.480 120.400 0.019 0.000 2.133 501 D HA -0.313 4.327 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 1.857 55.804 54.000 -0.089 0.000 0.840 501 D CB -0.534 40.276 40.800 0.017 0.000 0.947 501 D HN 0.488 nan 8.370 nan 0.000 0.452 502 Y N 0.504 120.689 120.300 -0.192 0.000 2.089 502 Y HA -0.185 4.365 4.550 -0.000 0.000 0.282 502 Y C 2.295 178.039 175.900 -0.260 0.000 1.139 502 Y CA 1.846 59.835 58.100 -0.184 0.000 1.123 502 Y CB -0.377 38.010 38.460 -0.121 0.000 0.980 502 Y HN -0.002 nan 8.280 nan 0.000 0.493 503 M N -0.208 119.273 119.600 -0.199 0.000 2.202 503 M HA -0.237 4.243 4.480 -0.000 0.000 0.262 503 M C 1.790 177.775 176.300 -0.525 0.000 1.063 503 M CA 2.056 57.156 55.300 -0.333 0.000 1.097 503 M CB -0.473 31.980 32.600 -0.244 0.000 1.382 503 M HN 0.308 nan 8.290 nan 0.000 0.413 504 N N 0.375 118.670 118.700 -0.676 0.000 2.376 504 N HA -0.054 4.686 4.740 -0.000 0.000 0.177 504 N C 1.304 176.420 175.510 -0.656 0.000 1.024 504 N CA 1.027 53.617 53.050 -0.767 0.000 0.893 504 N CB 0.245 38.078 38.487 -1.088 0.000 0.980 504 N HN 0.223 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 0.003 176.379 176.600 -0.373 0.000 1.052 505 K CA -0.161 55.883 56.287 -0.405 0.000 0.984 505 K CB 0.351 32.674 32.500 -0.294 0.000 0.836 505 K HN -0.018 nan 8.250 nan 0.000 0.490 506 R N 1.812 122.002 120.500 -0.517 0.000 2.537 506 R HA -0.027 4.313 4.340 -0.000 0.000 0.281 506 R C -0.042 175.994 176.300 -0.441 0.000 0.988 506 R CA 0.193 55.981 56.100 -0.520 0.000 1.077 506 R CB 0.236 30.160 30.300 -0.626 0.000 0.932 506 R HN 0.015 nan 8.270 nan 0.000 0.409 507 V N 2.792 122.382 119.914 -0.540 0.000 2.612 507 V HA 0.576 4.696 4.120 -0.000 0.000 0.301 507 V C -0.480 175.227 176.094 -0.646 0.000 1.046 507 V CA -0.680 61.274 62.300 -0.577 0.000 0.946 507 V CB 2.044 33.490 31.823 -0.628 0.000 1.003 507 V HN 0.446 nan 8.190 nan 0.000 0.459 508 V N 5.944 125.649 119.914 -0.348 0.000 2.709 508 V HA 0.876 4.996 4.120 -0.000 0.000 0.308 508 V C 0.323 176.426 176.094 0.016 0.000 1.062 508 V CA -0.036 62.139 62.300 -0.208 0.000 0.901 508 V CB 1.687 33.371 31.823 -0.233 0.000 1.003 508 V HN 1.615 nan 8.190 nan 0.000 0.425 509 A N 7.915 130.761 122.820 0.045 0.000 2.404 509 A HA 0.596 4.916 4.320 -0.000 0.000 0.273 509 A C -1.631 176.039 177.584 0.142 0.000 1.144 509 A CA -1.072 51.016 52.037 0.085 0.000 0.806 509 A CB 0.329 19.353 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 1.561 178.896 177.300 0.058 0.000 1.148 510 P CA 1.675 64.874 63.100 0.165 0.000 0.803 510 P CB 0.071 31.690 31.700 -0.136 0.000 0.782 511 G N -0.330 108.492 108.800 0.037 0.000 2.535 511 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 511 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 511 G C 1.409 176.344 174.900 0.057 0.000 1.122 511 G CA 0.249 45.381 45.100 0.052 0.000 0.769 511 G HN 0.256 nan 8.290 nan 0.000 0.549 512 L N -0.332 120.922 121.223 0.051 0.000 2.109 512 L HA 0.061 4.401 4.340 -0.000 0.000 0.207 512 L C 0.865 177.779 176.870 0.073 0.000 1.086 512 L CA 0.552 55.434 54.840 0.070 0.000 0.760 512 L CB 0.149 42.234 42.059 0.044 0.000 0.910 512 L HN 0.036 nan 8.230 nan 0.000 0.437 513 V N -0.778 119.146 119.914 0.017 0.000 2.468 513 V HA 0.221 4.341 4.120 -0.000 0.000 0.256 513 V C -0.410 175.603 176.094 -0.135 0.000 0.998 513 V CA -0.584 61.696 62.300 -0.034 0.000 1.114 513 V CB 0.524 32.318 31.823 -0.049 0.000 1.378 513 V HN 0.101 nan 8.190 nan 0.000 0.573 514 D N 0.557 120.813 120.400 -0.241 0.000 2.383 514 D HA 0.129 4.769 4.640 -0.000 0.000 0.248 514 D C 1.507 177.518 176.300 -0.482 0.000 1.170 514 D CA -0.010 53.719 54.000 -0.451 0.000 0.977 514 D CB 2.251 42.628 40.800 -0.705 0.000 1.120 514 D HN 0.539 nan 8.370 nan 0.000 0.481 515 C N 0.669 119.740 119.300 -0.381 0.000 2.400 515 C HA -0.162 4.298 4.460 -0.000 0.000 0.291 515 C C 1.905 176.968 174.990 0.121 0.000 1.372 515 C CA 0.191 59.167 59.018 -0.069 0.000 1.800 515 C CB -2.138 25.721 27.740 0.198 0.000 1.869 515 C HN 0.613 nan 8.230 nan 0.000 0.533 516 Y N -1.143 119.263 120.300 0.176 0.000 2.532 516 Y HA 0.593 5.143 4.550 -0.000 0.000 0.283 516 Y C 0.786 176.758 175.900 0.120 0.000 1.181 516 Y CA -2.170 56.014 58.100 0.141 0.000 1.256 516 Y CB -1.084 37.433 38.460 0.094 0.000 1.112 516 Y HN 0.177 nan 8.280 nan 0.000 0.521 517 I N 3.439 124.090 120.570 0.134 0.000 2.533 517 I HA 0.038 4.208 4.170 -0.000 0.000 0.284 517 I C 0.165 176.385 176.117 0.173 0.000 1.109 517 I CA 0.155 61.554 61.300 0.165 0.000 1.412 517 I CB -0.398 37.650 38.000 0.080 0.000 1.396 517 I HN 0.525 nan 8.210 nan 0.000 0.543 518 N N 5.545 124.324 118.700 0.132 0.000 2.698 518 N HA -0.245 4.495 4.740 -0.000 0.000 0.258 518 N C -0.082 175.482 175.510 0.090 0.000 0.978 518 N CA 0.502 53.594 53.050 0.070 0.000 0.777 518 N CB -0.911 37.618 38.487 0.071 0.000 0.907 518 N HN 0.550 nan 8.380 nan 0.000 0.543 519 L N 0.101 121.381 121.223 0.095 0.000 2.578 519 L HA 0.015 4.355 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 1.214 56.109 54.840 0.091 0.000 0.900 519 L CB 0.087 42.200 42.059 0.090 0.000 1.144 519 L HN 0.646 nan 8.230 nan 0.000 0.496 520 G N 2.627 111.458 108.800 0.052 0.000 2.162 520 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 520 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 520 G C 0.162 175.090 174.900 0.046 0.000 0.976 520 G CA 0.151 45.275 45.100 0.039 0.000 0.655 520 G HN 0.999 nan 8.290 nan 0.000 0.533 521 A N -0.667 122.193 122.820 0.067 0.000 2.322 521 A HA 0.899 5.219 4.320 -0.000 0.000 0.327 521 A C 0.361 178.034 177.584 0.149 0.000 1.134 521 A CA -0.164 51.927 52.037 0.089 0.000 0.831 521 A CB 1.043 20.075 19.000 0.053 0.000 1.288 521 A HN 0.688 nan 8.150 nan 0.000 0.472 522 R N 1.479 122.084 120.500 0.176 0.000 2.575 522 R HA 0.292 4.632 4.340 -0.000 0.000 0.281 522 R C -1.594 174.870 176.300 0.273 0.000 1.272 522 R CA -0.168 56.037 56.100 0.175 0.000 1.417 522 R CB 0.423 30.789 30.300 0.109 0.000 1.121 522 R HN 0.773 nan 8.270 nan 0.000 0.583 523 W N 3.518 124.827 121.300 0.015 0.000 2.998 523 W HA 0.266 4.926 4.660 -0.000 0.000 0.335 523 W C -1.054 175.459 176.519 -0.009 0.000 1.110 523 W CA -0.650 56.693 57.345 -0.003 0.000 1.230 523 W CB 2.213 31.675 29.460 0.005 0.000 1.405 523 W HN 0.488 nan 8.180 nan 0.000 0.493 524 S N 4.793 120.177 115.700 -0.527 0.000 2.537 524 S HA 0.490 4.960 4.470 -0.000 0.000 0.275 524 S C -0.181 174.148 174.600 -0.451 0.000 1.272 524 S CA -0.696 57.261 58.200 -0.405 0.000 1.050 524 S CB 1.404 64.350 63.200 -0.423 0.000 0.961 524 S HN 0.439 nan 8.310 nan 0.000 0.496 525 L N 2.802 123.952 121.223 -0.123 0.000 2.499 525 L HA 0.065 4.405 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 -0.306 54.545 54.840 0.020 0.000 0.882 525 L CB 0.125 42.242 42.059 0.097 0.000 1.133 525 L HN 0.756 nan 8.230 nan 0.000 0.483 526 D N 1.763 122.158 120.400 -0.008 0.000 2.263 526 D HA -0.187 4.453 4.640 -0.000 0.000 0.208 526 D C 1.626 177.902 176.300 -0.039 0.000 0.971 526 D CA 1.422 55.382 54.000 -0.067 0.000 0.867 526 D CB 0.121 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 -0.168 120.158 120.300 0.042 0.000 2.286 527 Y HA -0.001 4.549 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 58.764 58.100 0.035 0.000 1.178 527 Y CB -0.131 38.351 38.460 0.037 0.000 1.010 527 Y HN -0.043 nan 8.280 nan 0.000 0.536 528 M N -0.607 119.075 119.600 0.136 0.000 2.541 528 M HA -0.049 4.431 4.480 -0.000 0.000 0.252 528 M C 1.056 177.345 176.300 -0.018 0.000 1.125 528 M CA 0.631 55.952 55.300 0.034 0.000 1.091 528 M CB -0.725 31.856 32.600 -0.033 0.000 1.420 528 M HN 0.147 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 1.098 177.496 176.300 0.164 0.000 0.998 529 D CA 1.230 55.185 54.000 -0.074 0.000 0.836 529 D CB -0.243 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 0.021 118.859 118.700 0.229 0.000 2.314 530 N HA 0.031 4.771 4.740 -0.000 0.000 0.200 530 N C -0.456 175.267 175.510 0.356 0.000 1.135 530 N CA 0.016 53.269 53.050 0.338 0.000 0.835 530 N CB 0.949 39.578 38.487 0.236 0.000 0.989 530 N HN 0.012 nan 8.380 nan 0.000 0.478 531 V N 1.683 121.706 119.914 0.180 0.000 2.407 531 V HA 0.117 4.237 4.120 -0.000 0.000 0.278 531 V C 0.588 176.529 176.094 -0.255 0.000 1.037 531 V CA -1.151 61.178 62.300 0.049 0.000 0.900 531 V CB 1.336 33.172 31.823 0.021 0.000 0.983 531 V HN 0.179 nan 8.190 nan 0.000 0.459 532 N N 7.751 126.185 118.700 -0.443 0.000 2.386 532 N HA 0.024 4.764 4.740 -0.000 0.000 0.273 532 N C -1.441 173.765 175.510 -0.508 0.000 1.331 532 N CA -1.197 51.286 53.050 -0.944 0.000 0.891 532 N CB 1.418 39.691 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 0.981 63.638 63.100 -0.738 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 1.104 176.951 175.800 0.079 0.000 1.094 534 F CA 0.402 58.446 58.000 0.073 0.000 1.409 534 F CB -1.150 37.913 39.000 0.105 0.000 1.064 534 F HN -0.153 nan 8.300 nan 0.000 0.528 535 N N 1.463 120.279 118.700 0.193 0.000 2.671 535 N HA 0.005 4.745 4.740 -0.000 0.000 0.274 535 N C -0.655 174.979 175.510 0.208 0.000 1.188 535 N CA 0.433 53.605 53.050 0.203 0.000 1.065 535 N CB -0.490 38.122 38.487 0.208 0.000 1.415 535 N HN 0.307 nan 8.380 nan 0.000 0.511 536 H N 0.552 119.654 119.070 0.054 0.000 3.064 536 H HA 0.028 4.584 4.556 -0.000 0.000 0.352 536 H C 0.766 176.145 175.328 0.085 0.000 1.260 536 H CA -0.380 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 2.342 121.456 119.070 0.074 0.000 2.546 537 H HA 0.069 4.625 4.556 -0.000 0.000 0.277 537 H C 0.504 176.022 175.328 0.316 0.000 1.004 537 H CA 0.457 56.692 56.048 0.311 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 0.938 121.465 120.500 0.046 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 0.010 0.000 0.931 538 R CA -0.243 55.843 56.100 -0.023 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 1.205 119.942 118.700 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 -0.013 53.083 53.050 0.076 0.000 0.945 539 N CB 1.266 39.839 38.487 0.143 0.000 1.196 539 N HN 0.105 nan 8.380 nan 0.000 0.499 540 A N 3.720 126.572 122.820 0.053 0.000 1.908 540 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 540 A C 1.980 179.608 177.584 0.073 0.000 1.181 540 A CA 1.944 54.033 52.037 0.086 0.000 0.627 540 A CB -1.141 17.944 19.000 0.141 0.000 0.818 540 A HN 0.667 nan 8.150 nan 0.000 0.445 541 G N -0.122 108.695 108.800 0.029 0.000 2.459 541 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 541 G HA3 -0.174 3.786 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 1.303 46.318 45.100 -0.141 0.000 0.776 541 G HN 0.654 nan 8.290 nan 0.000 0.552 542 L N 0.486 121.694 121.223 -0.024 0.000 2.056 542 L HA 0.130 4.470 4.340 -0.000 0.000 0.207 542 L C 2.668 179.492 176.870 -0.077 0.000 1.078 542 L CA 2.166 56.998 54.840 -0.012 0.000 0.749 542 L CB -0.617 41.472 42.059 0.051 0.000 0.901 542 L HN 0.232 nan 8.230 nan 0.000 0.433 543 R N -1.670 118.718 120.500 -0.187 0.000 2.083 543 R HA -0.274 4.066 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 2.167 58.004 56.100 -0.439 0.000 0.951 543 R CB -0.715 29.309 30.300 -0.460 0.000 0.851 543 R HN 0.581 nan 8.270 nan 0.000 0.434 544 Y N 0.752 120.962 120.300 -0.150 0.000 2.181 544 Y HA -0.171 4.379 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 1.731 59.780 58.100 -0.085 0.000 1.164 544 Y CB -0.007 38.386 38.460 -0.111 0.000 0.982 544 Y HN -0.019 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 1.236 57.275 56.100 -0.102 0.000 0.976 545 R CB -0.474 29.801 30.300 -0.041 0.000 0.870 545 R HN 0.301 nan 8.270 nan 0.000 0.445 546 S N 0.298 115.989 115.700 -0.014 0.000 2.368 546 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 546 S C 1.879 176.530 174.600 0.085 0.000 1.029 546 S CA 1.107 59.361 58.200 0.091 0.000 0.988 546 S CB 0.027 63.416 63.200 0.315 0.000 0.838 546 S HN 0.207 nan 8.310 nan 0.000 0.462 547 M N 0.439 120.055 119.600 0.027 0.000 2.319 547 M HA 0.018 4.498 4.480 -0.000 0.000 0.265 547 M C 1.856 178.109 176.300 -0.079 0.000 1.068 547 M CA 0.599 55.910 55.300 0.017 0.000 1.118 547 M CB -0.291 32.320 32.600 0.019 0.000 1.395 547 M HN 0.288 nan 8.290 nan 0.000 0.435 548 L N 0.499 121.596 121.223 -0.210 0.000 2.127 548 L HA -0.152 4.188 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 1.837 56.547 54.840 -0.216 0.000 0.757 548 L CB -0.639 41.247 42.059 -0.289 0.000 0.899 548 L HN 0.314 nan 8.230 nan 0.000 0.434 549 L N -2.040 119.181 121.223 -0.004 0.000 2.209 549 L HA 0.258 4.598 4.340 -0.000 0.000 0.207 549 L C 1.145 178.042 176.870 0.045 0.000 1.094 549 L CA 0.502 55.369 54.840 0.045 0.000 0.790 549 L CB -0.385 41.680 42.059 0.011 0.000 0.932 549 L HN 0.443 nan 8.230 nan 0.000 0.447 550 G N 0.102 108.932 108.800 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 -0.479 174.521 174.900 0.166 0.000 1.284 550 G CA -0.056 45.095 45.100 0.086 0.000 0.985 550 G HN 0.115 nan 8.290 nan 0.000 0.504 551 N N 0.074 118.886 118.700 0.187 0.000 2.203 551 N HA 0.341 5.081 4.740 -0.000 0.000 0.207 551 N C 0.731 176.447 175.510 0.343 0.000 1.130 551 N CA 0.790 54.008 53.050 0.279 0.000 0.861 551 N CB 1.013 39.598 38.487 0.163 0.000 1.005 551 N HN 1.120 nan 8.380 nan 0.000 0.507 552 G N -0.118 108.834 108.800 0.253 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 0.400 175.320 174.900 0.033 0.000 1.170 552 G CA -0.733 44.478 45.100 0.186 0.000 0.943 552 G HN 0.026 nan 8.290 nan 0.000 0.483 553 R N -0.296 120.168 120.500 -0.059 0.000 2.080 553 R HA -0.088 4.252 4.340 -0.000 0.000 0.236 553 R C -0.085 175.966 176.300 -0.414 0.000 1.137 553 R CA 1.112 57.008 56.100 -0.341 0.000 0.943 553 R CB -0.293 29.633 30.300 -0.623 0.000 0.846 553 R HN 0.521 nan 8.270 nan 0.000 0.431 554 Y N 0.200 120.492 120.300 -0.013 0.000 2.365 554 Y HA 0.296 4.846 4.550 -0.000 0.000 0.340 554 Y C -0.386 175.515 175.900 0.003 0.000 1.016 554 Y CA -0.647 57.447 58.100 -0.010 0.000 1.196 554 Y CB 1.390 39.855 38.460 0.009 0.000 1.167 554 Y HN -0.235 nan 8.280 nan 0.000 0.509 555 V N 5.737 125.750 119.914 0.165 0.000 2.569 555 V HA 0.416 4.536 4.120 -0.000 0.000 0.301 555 V C -2.592 173.627 176.094 0.209 0.000 1.044 555 V CA -2.167 60.225 62.300 0.153 0.000 0.874 555 V CB 2.194 34.081 31.823 0.105 0.000 1.002 555 V HN 0.508 nan 8.190 nan 0.000 0.424 556 P HA 0.480 nan 4.420 nan 0.000 0.293 556 P C -1.038 176.351 177.300 0.149 0.000 1.300 556 P CA -0.196 62.944 63.100 0.067 0.000 0.792 556 P CB 0.642 32.348 31.700 0.011 0.000 0.925 557 F N 0.131 120.154 119.950 0.121 0.000 2.556 557 F HA 0.672 5.199 4.527 -0.000 0.000 0.327 557 F C -0.570 175.331 175.800 0.169 0.000 1.059 557 F CA -1.121 56.980 58.000 0.169 0.000 0.953 557 F CB 1.739 40.906 39.000 0.278 0.000 1.227 557 F HN 0.358 nan 8.300 nan 0.000 0.478 558 H N 3.891 123.105 119.070 0.239 0.000 3.108 558 H HA 0.623 5.179 4.556 -0.000 0.000 0.329 558 H C -1.361 174.027 175.328 0.100 0.000 0.978 558 H CA -0.884 55.225 56.048 0.103 0.000 1.413 558 H CB 1.472 31.253 29.762 0.032 0.000 1.670 558 H HN 0.875 nan 8.280 nan 0.000 0.512 559 I N 0.967 121.646 120.570 0.182 0.000 3.145 559 I HA 0.527 4.697 4.170 -0.000 0.000 0.313 559 I C -1.573 174.465 176.117 -0.132 0.000 1.122 559 I CA -1.265 59.976 61.300 -0.100 0.000 0.987 559 I CB 2.719 40.488 38.000 -0.384 0.000 1.236 559 I HN 0.398 nan 8.210 nan 0.000 0.453 560 Q N 2.448 122.142 119.800 -0.175 0.000 2.327 560 Q HA 0.608 4.948 4.340 -0.000 0.000 0.270 560 Q C -1.246 174.861 176.000 0.179 0.000 1.022 560 Q CA -0.521 55.267 55.803 -0.025 0.000 0.773 560 Q CB 2.527 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 4.243 124.300 119.914 0.239 0.000 2.435 561 V HA 0.620 4.740 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 -1.966 60.474 62.300 0.232 0.000 0.881 561 V CB 1.475 33.352 31.823 0.090 0.000 0.983 561 V HN 0.670 nan 8.190 nan 0.000 0.445 562 P HA 0.347 nan 4.420 nan 0.000 0.284 562 P C -1.259 175.890 177.300 -0.251 0.000 1.258 562 P CA -0.791 62.082 63.100 -0.378 0.000 0.824 562 P CB 1.080 32.251 31.700 -0.881 0.000 1.038 563 Q N 1.350 120.981 119.800 -0.280 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 0.605 56.276 55.803 -0.220 0.000 0.936 563 Q CB 0.749 29.359 28.738 -0.214 0.000 1.188 563 Q HN 0.270 nan 8.270 nan 0.000 0.420 564 K N 3.332 123.629 120.400 -0.172 0.000 2.370 564 K HA 0.152 4.472 4.320 -0.000 0.000 0.194 564 K C -0.222 176.275 176.600 -0.173 0.000 1.070 564 K CA -0.260 55.798 56.287 -0.382 0.000 0.998 564 K CB 0.293 32.373 32.500 -0.700 0.000 0.911 564 K HN 0.494 nan 8.250 nan 0.000 0.533 565 F N 2.809 122.652 119.950 -0.179 0.000 2.580 565 F HA -0.149 4.378 4.527 -0.000 0.000 0.398 565 F C 1.083 176.873 175.800 -0.016 0.000 1.023 565 F CA -0.867 57.130 58.000 -0.005 0.000 1.188 565 F CB 0.192 39.348 39.000 0.260 0.000 1.005 565 F HN 0.069 nan 8.300 nan 0.000 0.546 566 F N 4.379 123.942 119.950 -0.644 0.000 2.161 566 F HA -0.082 4.445 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 1.330 59.053 58.000 -0.462 0.000 1.282 566 F CB -1.193 37.621 39.000 -0.310 0.000 1.010 566 F HN 0.381 nan 8.300 nan 0.000 0.485 567 A N 1.047 122.914 122.820 -1.588 0.000 2.119 567 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 567 A C 2.058 179.325 177.584 -0.529 0.000 1.153 567 A CA 1.520 52.981 52.037 -0.959 0.000 0.692 567 A CB -1.133 17.437 19.000 -0.717 0.000 0.799 567 A HN 0.760 nan 8.150 nan 0.000 0.458 568 I N -4.048 116.307 120.570 -0.359 0.000 4.456 568 I HA 0.156 4.326 4.170 -0.000 0.000 0.329 568 I C 1.722 177.639 176.117 -0.333 0.000 1.313 568 I CA 0.506 61.641 61.300 -0.276 0.000 1.205 568 I CB -0.033 37.941 38.000 -0.044 0.000 1.179 568 I HN 0.155 nan 8.210 nan 0.000 0.419 569 K N 2.199 122.416 120.400 -0.306 0.000 2.113 569 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 569 K C 0.631 177.076 176.600 -0.257 0.000 1.047 569 K CA 2.511 58.653 56.287 -0.241 0.000 0.928 569 K CB -0.693 31.716 32.500 -0.153 0.000 0.716 569 K HN 0.503 nan 8.250 nan 0.000 0.446 570 N N 0.228 118.690 118.700 -0.396 0.000 2.177 570 N HA 0.143 4.883 4.740 -0.000 0.000 0.218 570 N C -0.835 174.534 175.510 -0.235 0.000 1.182 570 N CA -0.513 52.388 53.050 -0.249 0.000 0.882 570 N CB 0.610 39.049 38.487 -0.079 0.000 1.052 570 N HN 0.035 nan 8.380 nan 0.000 0.519 571 L N 1.508 122.486 121.223 -0.408 0.000 2.490 571 L HA 0.203 4.543 4.340 -0.000 0.000 0.274 571 L C -0.428 176.389 176.870 -0.088 0.000 1.201 571 L CA -0.164 54.563 54.840 -0.189 0.000 0.869 571 L CB 0.473 42.378 42.059 -0.256 0.000 1.123 571 L HN 0.070 nan 8.230 nan 0.000 0.484 572 L N 5.805 127.034 121.223 0.011 0.000 2.259 572 L HA 0.388 4.728 4.340 -0.000 0.000 0.288 572 L C -0.820 176.019 176.870 -0.051 0.000 1.051 572 L CA -0.184 54.642 54.840 -0.023 0.000 0.824 572 L CB 0.793 42.861 42.059 0.015 0.000 1.206 572 L HN 0.615 nan 8.230 nan 0.000 0.429 573 L N 5.763 126.917 121.223 -0.116 0.000 2.313 573 L HA 0.363 4.703 4.340 -0.000 0.000 0.282 573 L C -0.207 176.645 176.870 -0.029 0.000 1.092 573 L CA 0.376 55.119 54.840 -0.161 0.000 0.831 573 L CB 0.621 42.487 42.059 -0.321 0.000 1.159 573 L HN 0.540 nan 8.230 nan 0.000 0.442 574 L N 5.849 127.094 121.223 0.036 0.000 2.479 574 L HA 0.444 4.784 4.340 -0.000 0.000 0.249 574 L C -1.890 175.115 176.870 0.227 0.000 1.178 574 L CA -2.090 52.818 54.840 0.113 0.000 0.811 574 L CB 0.036 42.147 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 -0.157 177.233 177.300 0.150 0.000 1.209 575 P CA 0.235 63.438 63.100 0.171 0.000 0.776 575 P CB 0.706 32.459 31.700 0.088 0.000 0.876 576 G N 0.344 109.185 108.800 0.069 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 -1.479 173.190 174.900 -0.385 0.000 1.329 576 G CA -0.612 44.362 45.100 -0.210 0.000 0.935 576 G HN 0.376 nan 8.290 nan 0.000 0.590 577 S N -0.190 115.184 115.700 -0.542 0.000 2.451 577 S HA 0.806 5.276 4.470 -0.000 0.000 0.301 577 S C -1.232 173.017 174.600 -0.585 0.000 1.116 577 S CA -0.340 57.641 58.200 -0.365 0.000 1.093 577 S CB 0.679 63.794 63.200 -0.140 0.000 1.017 577 S HN 0.485 nan 8.310 nan 0.000 0.482 578 Y N 0.323 120.631 120.300 0.014 0.000 2.536 578 Y HA 0.432 4.982 4.550 -0.000 0.000 0.347 578 Y C 0.562 176.503 175.900 0.068 0.000 1.000 578 Y CA -1.088 57.030 58.100 0.031 0.000 1.051 578 Y CB 1.253 39.715 38.460 0.003 0.000 1.259 578 Y HN 0.320 nan 8.280 nan 0.000 0.468 579 T N 2.712 117.424 114.554 0.264 0.000 2.738 579 T HA 0.193 4.543 4.350 -0.000 0.000 0.298 579 T C -1.594 173.322 174.700 0.359 0.000 0.962 579 T CA -0.225 62.021 62.100 0.243 0.000 0.972 579 T CB -0.406 68.556 68.868 0.157 0.000 0.928 579 T HN 0.392 nan 8.240 nan 0.000 0.474 580 Y N 3.598 124.039 120.300 0.235 0.000 2.328 580 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 580 Y C -0.195 175.962 175.900 0.428 0.000 0.958 580 Y CA -1.753 56.534 58.100 0.311 0.000 1.167 580 Y CB 0.874 39.486 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 -1.923 174.731 176.600 0.089 0.000 0.884 581 E CA -0.542 55.940 56.400 0.137 0.000 0.753 581 E CB 1.670 31.396 29.700 0.043 0.000 1.213 581 E HN 0.694 nan 8.360 nan 0.000 0.432 582 W N 2.586 123.752 121.300 -0.222 0.000 3.118 582 W HA 0.382 5.042 4.660 -0.000 0.000 0.328 582 W C -1.148 175.120 176.519 -0.419 0.000 1.239 582 W CA -0.634 56.466 57.345 -0.409 0.000 1.176 582 W CB 2.228 31.285 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 -1.539 173.851 175.510 -0.199 0.000 1.048 583 N CA -0.252 52.690 53.050 -0.181 0.000 0.886 583 N CB 1.684 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 0.637 120.751 119.950 0.273 0.000 2.520 584 F HA 0.459 4.986 4.527 -0.000 0.000 0.322 584 F C 1.028 177.031 175.800 0.340 0.000 1.103 584 F CA -0.878 57.231 58.000 0.181 0.000 0.926 584 F CB 1.340 40.255 39.000 -0.141 0.000 1.154 584 F HN 0.085 nan 8.300 nan 0.000 0.453 585 R N 1.456 122.136 120.500 0.300 0.000 2.582 585 R HA 0.300 4.640 4.340 -0.000 0.000 0.271 585 R C 0.622 177.205 176.300 0.473 0.000 1.078 585 R CA -0.205 56.048 56.100 0.254 0.000 1.127 585 R CB 0.858 31.124 30.300 -0.058 0.000 1.038 585 R HN 0.713 nan 8.270 nan 0.000 0.500 586 K N 0.305 120.962 120.400 0.428 0.000 2.450 586 K HA 0.012 4.332 4.320 -0.000 0.000 0.206 586 K C -0.473 176.275 176.600 0.248 0.000 1.148 586 K CA -0.081 56.410 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 1.996 122.574 120.400 0.298 0.000 2.389 587 D HA -0.053 4.587 4.640 -0.000 0.000 0.263 587 D C 1.387 177.790 176.300 0.173 0.000 1.255 587 D CA -0.034 54.131 54.000 0.275 0.000 0.914 587 D CB 1.192 42.171 40.800 0.298 0.000 1.116 587 D HN -0.033 nan 8.370 nan 0.000 0.502 588 V N 2.490 122.476 119.914 0.120 0.000 2.469 588 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 588 V C 1.693 177.814 176.094 0.045 0.000 1.064 588 V CA 1.431 63.758 62.300 0.046 0.000 1.066 588 V CB -0.622 31.196 31.823 -0.007 0.000 0.667 588 V HN 0.388 nan 8.190 nan 0.000 0.461 589 N N -0.244 118.504 118.700 0.080 0.000 2.453 589 N HA 0.018 4.758 4.740 -0.000 0.000 0.183 589 N C 1.566 177.194 175.510 0.196 0.000 1.041 589 N CA 1.539 54.634 53.050 0.074 0.000 0.900 589 N CB -0.150 38.357 38.487 0.033 0.000 0.961 589 N HN 0.489 nan 8.380 nan 0.000 0.443 590 M N -0.766 118.947 119.600 0.188 0.000 2.557 590 M HA 0.096 4.576 4.480 -0.000 0.000 0.262 590 M C 2.091 178.483 176.300 0.153 0.000 1.168 590 M CA 0.616 56.023 55.300 0.178 0.000 1.194 590 M CB -0.834 31.831 32.600 0.109 0.000 1.311 590 M HN 0.018 nan 8.290 nan 0.000 0.489 591 V N -0.714 119.293 119.914 0.155 0.000 2.871 591 V HA 0.132 4.252 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 0.550 62.978 62.300 0.213 0.000 1.105 591 V CB -0.354 31.645 31.823 0.292 0.000 0.713 591 V HN 0.204 nan 8.190 nan 0.000 0.473 592 L N 0.913 122.146 121.223 0.018 0.000 2.322 592 L HA 0.639 4.979 4.340 -0.000 0.000 0.269 592 L C -0.387 176.459 176.870 -0.041 0.000 1.012 592 L CA -0.463 54.321 54.840 -0.093 0.000 0.815 592 L CB 1.744 43.681 42.059 -0.202 0.000 1.295 592 L HN 0.277 nan 8.230 nan 0.000 0.438 593 Q N 1.118 120.884 119.800 -0.056 0.000 2.331 593 Q HA 0.557 4.897 4.340 -0.000 0.000 0.272 593 Q C -1.531 174.454 176.000 -0.025 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 0.795 116.474 115.700 -0.035 0.000 2.600 594 S HA 0.410 4.880 4.470 -0.000 0.000 0.300 594 S C 0.564 175.203 174.600 0.065 0.000 1.087 594 S CA -0.075 58.137 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 0.864 116.652 115.700 0.147 0.000 2.436 595 S HA 0.003 4.473 4.470 -0.000 0.000 0.228 595 S C 1.378 176.083 174.600 0.176 0.000 1.014 595 S CA 0.276 58.595 58.200 0.199 0.000 0.950 595 S CB -0.548 62.840 63.200 0.313 0.000 0.784 595 S HN 0.490 nan 8.310 nan 0.000 0.504 596 L N 1.562 122.855 121.223 0.116 0.000 2.375 596 L HA 0.371 4.711 4.340 -0.000 0.000 0.215 596 L C 1.954 178.854 176.870 0.049 0.000 1.108 596 L CA 1.144 56.034 54.840 0.084 0.000 0.830 596 L CB -1.477 40.621 42.059 0.066 0.000 0.959 596 L HN 0.598 nan 8.230 nan 0.000 0.457 597 G N 0.355 109.138 108.800 -0.028 0.000 2.160 597 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 597 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 597 G C 0.459 175.263 174.900 -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 0.333 118.999 118.700 -0.056 0.000 2.260 598 N HA 0.223 4.963 4.740 -0.000 0.000 0.230 598 N C -0.389 175.079 175.510 -0.069 0.000 1.323 598 N CA 0.073 53.113 53.050 -0.018 0.000 0.897 598 N CB 0.547 39.068 38.487 0.058 0.000 1.146 598 N HN 0.116 nan 8.380 nan 0.000 0.460 599 D N 0.280 120.657 120.400 -0.039 0.000 2.402 599 D HA 0.117 4.757 4.640 -0.000 0.000 0.235 599 D C 1.113 177.389 176.300 -0.041 0.000 1.226 599 D CA -0.300 53.666 54.000 -0.055 0.000 0.918 599 D CB -0.093 40.686 40.800 -0.034 0.000 1.043 599 D HN 0.478 nan 8.370 nan 0.000 0.506 600 L N 3.570 124.757 121.223 -0.060 0.000 2.265 600 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 600 L C 2.424 179.283 176.870 -0.018 0.000 1.117 600 L CA 0.686 55.498 54.840 -0.047 0.000 0.782 600 L CB -0.230 41.790 42.059 -0.065 0.000 0.914 600 L HN 0.344 nan 8.230 nan 0.000 0.441 601 R N -0.490 120.011 120.500 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 1.102 57.221 56.100 0.031 0.000 0.955 601 R CB -0.844 29.495 30.300 0.067 0.000 0.851 601 R HN 0.180 nan 8.270 nan 0.000 0.432 602 V N 2.237 122.160 119.914 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 63.990 62.300 0.015 0.000 1.049 602 V CB -0.369 31.461 31.823 0.012 0.000 0.672 602 V HN 0.197 nan 8.190 nan 0.000 0.457 603 D N 0.255 120.655 120.400 -0.000 0.000 2.332 603 D HA 0.163 4.803 4.640 -0.000 0.000 0.244 603 D C 1.691 177.975 176.300 -0.027 0.000 1.136 603 D CA 0.947 54.940 54.000 -0.011 0.000 0.884 603 D CB -0.104 40.691 40.800 -0.010 0.000 0.906 603 D HN 0.492 nan 8.370 nan 0.000 0.520 604 G N 0.282 109.074 108.800 -0.014 0.000 2.155 604 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 604 G HA3 -0.273 3.687 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 0.275 45.368 45.100 -0.013 0.000 0.676 604 G HN 0.621 nan 8.290 nan 0.000 0.528 605 A N -0.529 122.266 122.820 -0.041 0.000 2.407 605 A HA 0.764 5.084 4.320 -0.000 0.000 0.248 605 A C 0.639 178.200 177.584 -0.039 0.000 1.082 605 A CA 1.088 53.087 52.037 -0.063 0.000 0.785 605 A CB 0.956 19.901 19.000 -0.092 0.000 1.020 605 A HN 1.477 nan 8.150 nan 0.000 0.489 606 S N 0.462 116.136 115.700 -0.043 0.000 2.564 606 S HA 0.745 5.215 4.470 -0.000 0.000 0.274 606 S C -1.174 173.403 174.600 -0.038 0.000 1.124 606 S CA -0.481 57.705 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 0.889 nan 8.310 nan 0.000 0.472 607 I N 3.320 123.860 120.570 -0.051 0.000 2.644 607 I HA 0.528 4.698 4.170 -0.000 0.000 0.291 607 I C -1.576 174.441 176.117 -0.168 0.000 1.180 607 I CA -0.506 60.743 61.300 -0.085 0.000 1.040 607 I CB 1.718 39.627 38.000 -0.152 0.000 1.255 607 I HN 0.740 nan 8.210 nan 0.000 0.422 608 K N 6.691 127.007 120.400 -0.141 0.000 2.443 608 K HA 0.469 4.789 4.320 -0.000 0.000 0.252 608 K C -2.109 174.370 176.600 -0.201 0.000 0.933 608 K CA -0.492 55.690 56.287 -0.175 0.000 0.792 608 K CB 1.438 33.906 32.500 -0.053 0.000 1.185 608 K HN 0.326 nan 8.250 nan 0.000 0.425 609 F N 3.324 123.295 119.950 0.035 0.000 2.404 609 F HA 0.217 4.744 4.527 -0.000 0.000 0.358 609 F C 0.859 176.577 175.800 -0.136 0.000 1.120 609 F CA -0.610 57.305 58.000 -0.141 0.000 1.144 609 F CB 1.302 40.023 39.000 -0.465 0.000 1.133 609 F HN 0.662 nan 8.300 nan 0.000 0.495 610 D N 0.582 120.984 120.400 0.004 0.000 2.262 610 D HA 0.015 4.655 4.640 -0.000 0.000 0.212 610 D C 0.495 176.784 176.300 -0.017 0.000 0.964 610 D CA 0.977 54.965 54.000 -0.019 0.000 0.875 610 D CB 0.430 41.178 40.800 -0.086 0.000 0.996 610 D HN 0.427 nan 8.370 nan 0.000 0.497 611 S N -0.421 115.232 115.700 -0.078 0.000 2.542 611 S HA 0.539 5.009 4.470 -0.000 0.000 0.276 611 S C -1.245 173.290 174.600 -0.107 0.000 1.148 611 S CA -1.009 57.156 58.200 -0.059 0.000 0.886 611 S CB 1.670 64.850 63.200 -0.033 0.000 1.109 611 S HN 0.087 nan 8.310 nan 0.000 0.458 612 I N 2.237 122.772 120.570 -0.059 0.000 2.499 612 I HA 0.742 4.912 4.170 -0.000 0.000 0.288 612 I C -1.139 175.122 176.117 0.241 0.000 1.048 612 I CA -0.257 61.027 61.300 -0.027 0.000 1.062 612 I CB 1.074 38.907 38.000 -0.280 0.000 1.238 612 I HN 0.974 nan 8.210 nan 0.000 0.426 613 C N 5.921 125.379 119.300 0.264 0.000 2.630 613 C HA 0.722 5.182 4.460 -0.000 0.000 0.346 613 C C -0.682 174.382 174.990 0.123 0.000 1.245 613 C CA -0.633 58.550 59.018 0.276 0.000 1.804 613 C CB 1.728 29.567 27.740 0.165 0.000 2.279 613 C HN 0.689 nan 8.230 nan 0.000 0.498 614 L N 1.842 122.976 121.223 -0.149 0.000 2.349 614 L HA 0.608 4.948 4.340 -0.000 0.000 0.278 614 L C -1.480 175.243 176.870 -0.245 0.000 0.996 614 L CA -0.033 54.608 54.840 -0.333 0.000 0.825 614 L CB 0.312 41.900 42.059 -0.784 0.000 1.243 614 L HN 0.641 nan 8.230 nan 0.000 0.412 615 Y N 3.613 123.677 120.300 -0.394 0.000 2.420 615 Y HA 0.833 5.383 4.550 -0.000 0.000 0.334 615 Y C 0.210 175.944 175.900 -0.276 0.000 1.094 615 Y CA -0.224 57.640 58.100 -0.393 0.000 1.126 615 Y CB 2.269 40.256 38.460 -0.788 0.000 1.217 615 Y HN 0.778 nan 8.280 nan 0.000 0.462 616 A N 1.517 124.403 122.820 0.110 0.000 2.465 616 A HA 0.676 4.996 4.320 -0.000 0.000 0.292 616 A C -1.105 176.566 177.584 0.144 0.000 1.041 616 A CA -0.706 51.373 52.037 0.070 0.000 0.718 616 A CB 0.913 19.980 19.000 0.112 0.000 1.266 616 A HN 0.589 nan 8.150 nan 0.000 0.403 617 T N 2.066 116.639 114.554 0.032 0.000 2.824 617 T HA 0.706 5.056 4.350 -0.000 0.000 0.280 617 T C -0.983 173.733 174.700 0.026 0.000 0.995 617 T CA 0.107 62.296 62.100 0.147 0.000 1.009 617 T CB 0.338 69.304 68.868 0.163 0.000 0.955 617 T HN 0.334 nan 8.240 nan 0.000 0.452 618 F N 1.636 121.660 119.950 0.123 0.000 2.507 618 F HA 0.493 5.020 4.527 -0.000 0.000 0.325 618 F C -0.115 175.780 175.800 0.159 0.000 1.116 618 F CA -1.831 56.255 58.000 0.144 0.000 0.930 618 F CB 1.031 40.108 39.000 0.128 0.000 1.146 618 F HN 0.522 nan 8.300 nan 0.000 0.447 619 F N 6.145 126.229 119.950 0.224 0.000 2.543 619 F HA 0.291 4.818 4.527 -0.000 0.000 0.375 619 F C -1.664 174.243 175.800 0.179 0.000 1.075 619 F CA -2.121 55.974 58.000 0.158 0.000 1.225 619 F CB 0.740 39.807 39.000 0.111 0.000 1.099 619 F HN 0.215 nan 8.300 nan 0.000 0.561 620 P HA 0.002 nan 4.420 nan 0.000 0.228 620 P C -0.062 177.303 177.300 0.108 0.000 1.748 620 P CA 0.018 63.117 63.100 -0.002 0.000 0.909 620 P CB -0.299 31.331 31.700 -0.117 0.000 1.882 621 M N 1.152 121.005 119.600 0.422 0.000 2.250 621 M HA 0.194 4.674 4.480 -0.000 0.000 0.337 621 M C 0.298 176.799 176.300 0.335 0.000 1.161 621 M CA -0.061 55.540 55.300 0.503 0.000 1.088 621 M CB 0.559 33.439 32.600 0.466 0.000 1.639 621 M HN 0.151 nan 8.290 nan 0.000 0.447 622 A N 4.265 127.247 122.820 0.270 0.000 2.540 622 A HA 0.010 4.330 4.320 -0.000 0.000 0.239 622 A C 0.650 178.406 177.584 0.287 0.000 1.061 622 A CA 0.192 52.351 52.037 0.204 0.000 0.758 622 A CB -0.247 18.845 19.000 0.155 0.000 0.991 622 A HN 1.104 nan 8.150 nan 0.000 0.502 623 H N 2.000 121.119 119.070 0.082 0.000 2.352 623 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 623 H C 1.890 177.257 175.328 0.064 0.000 1.097 623 H CA 1.420 57.509 56.048 0.069 0.000 1.311 623 H CB 0.156 29.949 29.762 0.052 0.000 1.377 623 H HN 0.911 nan 8.280 nan 0.000 0.504 624 N N 0.856 119.670 118.700 0.190 0.000 2.084 624 N HA -0.126 4.614 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 1.757 54.880 53.050 0.122 0.000 0.849 624 N CB -1.054 37.492 38.487 0.097 0.000 1.012 624 N HN 0.206 nan 8.380 nan 0.000 0.423 625 T N 1.421 116.045 114.554 0.118 0.000 2.674 625 T HA 0.004 4.354 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 2.004 64.162 62.100 0.098 0.000 1.150 625 T CB -0.681 68.252 68.868 0.110 0.000 0.864 625 T HN 0.516 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 -0.170 4.150 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 2.515 54.606 52.037 0.090 0.000 0.631 626 A CB -1.240 17.825 19.000 0.107 0.000 0.822 626 A HN 0.525 nan 8.150 nan 0.000 0.447 627 S N -1.232 114.502 115.700 0.056 0.000 2.370 627 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 627 S C 1.997 176.620 174.600 0.037 0.000 1.033 627 S CA 2.343 60.566 58.200 0.039 0.000 1.011 627 S CB -0.801 62.425 63.200 0.043 0.000 0.852 627 S HN 0.560 nan 8.310 nan 0.000 0.457 628 T N 2.324 116.904 114.554 0.043 0.000 2.777 628 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 628 T C 1.691 176.406 174.700 0.026 0.000 1.040 628 T CA 1.360 63.481 62.100 0.035 0.000 1.141 628 T CB -0.515 68.377 68.868 0.039 0.000 0.868 628 T HN 0.402 nan 8.240 nan 0.000 0.444 629 L N 1.332 122.571 121.223 0.027 0.000 2.083 629 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 629 L C 2.388 179.266 176.870 0.013 0.000 1.083 629 L CA 1.858 56.707 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 -0.277 119.935 120.200 0.020 0.000 2.031 630 E HA -0.271 4.079 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 1.271 57.681 56.400 0.017 0.000 0.800 630 E CB -0.274 29.441 29.700 0.025 0.000 0.752 630 E HN 0.609 nan 8.360 nan 0.000 0.447 631 A N 1.089 123.914 122.820 0.009 0.000 1.903 631 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 631 A C 2.262 179.844 177.584 -0.004 0.000 1.191 631 A CA 2.252 54.291 52.037 0.003 0.000 0.638 631 A CB -0.662 18.345 19.000 0.012 0.000 0.823 631 A HN 0.361 nan 8.150 nan 0.000 0.451 632 M N -0.804 118.796 119.600 0.000 0.000 2.086 632 M HA -0.076 4.404 4.480 -0.000 0.000 0.261 632 M C 1.934 178.228 176.300 -0.009 0.000 1.067 632 M CA 1.356 56.654 55.300 -0.002 0.000 1.116 632 M CB -0.466 32.134 32.600 0.000 0.000 1.348 632 M HN 0.339 nan 8.290 nan 0.000 0.407 633 L N -0.521 120.695 121.223 -0.011 0.000 2.549 633 L HA -0.121 4.219 4.340 -0.000 0.000 0.229 633 L C 2.264 179.110 176.870 -0.039 0.000 1.158 633 L CA 0.568 55.398 54.840 -0.017 0.000 0.842 633 L CB -0.547 41.506 42.059 -0.010 0.000 0.952 633 L HN 0.284 nan 8.230 nan 0.000 0.452 634 R N -0.332 120.137 120.500 -0.051 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 0.032 56.067 56.100 -0.108 0.000 1.024 634 R CB -0.019 30.215 30.300 -0.111 0.000 0.940 634 R HN 0.379 nan 8.270 nan 0.000 0.480 635 N N 1.701 120.384 118.700 -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 0.089 53.154 53.050 0.025 0.000 0.979 635 N CB 1.278 39.775 38.487 0.017 0.000 1.121 635 N HN 0.117 nan 8.380 nan 0.000 0.466 636 D N -0.452 120.051 120.400 0.170 0.000 2.182 636 D HA -0.212 4.428 4.640 -0.000 0.000 0.201 636 D C 1.622 177.959 176.300 0.062 0.000 0.986 636 D CA 1.475 55.581 54.000 0.176 0.000 0.847 636 D CB -0.295 40.514 40.800 0.015 0.000 0.942 636 D HN 0.603 nan 8.370 nan 0.000 0.467 637 T N -1.216 113.357 114.554 0.031 0.000 2.897 637 T HA -0.154 4.196 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 0.929 63.032 62.100 0.006 0.000 1.123 637 T CB -0.408 68.461 68.868 0.000 0.000 0.865 637 T HN 0.002 nan 8.240 nan 0.000 0.496 638 N N 1.846 120.553 118.700 0.011 0.000 2.320 638 N HA 0.201 4.941 4.740 -0.000 0.000 0.237 638 N C -0.947 174.562 175.510 -0.001 0.000 1.129 638 N CA -0.210 52.838 53.050 -0.003 0.000 0.854 638 N CB 0.160 38.643 38.487 -0.006 0.000 1.083 638 N HN 0.480 nan 8.380 nan 0.000 0.504 639 D N 1.313 121.723 120.400 0.017 0.000 2.424 639 D HA 0.059 4.699 4.640 -0.000 0.000 0.244 639 D C 0.661 176.934 176.300 -0.045 0.000 1.134 639 D CA 0.396 54.412 54.000 0.027 0.000 0.881 639 D CB 1.056 41.894 40.800 0.064 0.000 1.191 639 D HN 0.126 nan 8.370 nan 0.000 0.445 640 Q N 0.428 120.195 119.800 -0.055 0.000 2.368 640 Q HA 0.458 4.798 4.340 -0.000 0.000 0.237 640 Q C -0.212 175.605 176.000 -0.305 0.000 0.987 640 Q CA -0.253 55.438 55.803 -0.185 0.000 0.896 640 Q CB 1.039 29.739 28.738 -0.064 0.000 1.241 640 Q HN 0.506 nan 8.270 nan 0.000 0.485 641 S N 0.502 115.785 115.700 -0.695 0.000 2.533 641 S HA 0.772 5.242 4.470 -0.000 0.000 0.271 641 S C -1.377 172.670 174.600 -0.921 0.000 1.143 641 S CA -0.851 57.015 58.200 -0.557 0.000 0.891 641 S CB 0.847 63.905 63.200 -0.237 0.000 1.105 641 S HN 0.415 nan 8.310 nan 0.000 0.468 642 F N 1.412 121.396 119.950 0.057 0.000 2.626 642 F HA 0.648 5.175 4.527 -0.000 0.000 0.311 642 F C -0.038 175.913 175.800 0.251 0.000 1.088 642 F CA -0.765 57.317 58.000 0.136 0.000 0.949 642 F CB 2.019 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 -0.220 118.704 118.700 0.373 0.000 2.229 643 N HA 0.290 5.030 4.740 -0.000 0.000 0.298 643 N C -2.067 173.303 175.510 -0.232 0.000 1.114 643 N CA -0.632 52.449 53.050 0.051 0.000 0.776 643 N CB 2.570 41.067 38.487 0.016 0.000 1.501 643 N HN 0.651 nan 8.380 nan 0.000 0.474 644 D N 0.362 120.218 120.400 -0.906 0.000 2.389 644 D HA 0.006 4.646 4.640 -0.000 0.000 0.247 644 D C 0.918 177.046 176.300 -0.286 0.000 1.128 644 D CA -0.194 53.353 54.000 -0.756 0.000 0.884 644 D CB 0.618 40.812 40.800 -1.011 0.000 1.194 644 D HN 0.511 nan 8.370 nan 0.000 0.441 645 Y N 3.554 123.737 120.300 -0.195 0.000 2.128 645 Y HA -0.175 4.375 4.550 -0.000 0.000 0.284 645 Y C 1.698 177.499 175.900 -0.164 0.000 1.154 645 Y CA 1.433 59.450 58.100 -0.140 0.000 1.149 645 Y CB -0.197 38.208 38.460 -0.092 0.000 0.976 645 Y HN 0.530 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 -0.104 4.236 4.340 -0.000 0.000 0.208 646 L C 1.271 177.986 176.870 -0.258 0.000 1.077 646 L CA 1.863 56.617 54.840 -0.143 0.000 0.747 646 L CB -0.861 41.166 42.059 -0.053 0.000 0.896 646 L HN 0.223 nan 8.230 nan 0.000 0.432 647 S N -0.306 115.228 115.700 -0.277 0.000 3.436 647 S HA 0.013 4.483 4.470 -0.000 0.000 0.393 647 S C -0.014 174.448 174.600 -0.229 0.000 0.914 647 S CA 0.471 58.491 58.200 -0.301 0.000 1.317 647 S CB -1.454 61.498 63.200 -0.414 0.000 0.920 647 S HN 0.949 nan 8.310 nan 0.000 0.564 648 A N 0.516 123.252 122.820 -0.140 0.000 2.608 648 A HA 0.844 5.164 4.320 -0.000 0.000 0.292 648 A C -0.555 177.017 177.584 -0.021 0.000 1.066 648 A CA -0.055 51.931 52.037 -0.084 0.000 0.676 648 A CB 0.887 19.832 19.000 -0.091 0.000 1.277 648 A HN 1.546 nan 8.150 nan 0.000 0.413 649 A N 1.672 124.472 122.820 -0.034 0.000 2.260 649 A HA 0.619 4.939 4.320 -0.000 0.000 0.308 649 A C -0.281 177.360 177.584 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 18.754 19.000 -0.322 0.000 1.153 649 A HN 0.672 nan 8.150 nan 0.000 0.527 650 N N 3.530 122.336 118.700 0.177 0.000 2.426 650 N HA 0.493 5.233 4.740 -0.000 0.000 0.275 650 N C -0.820 174.867 175.510 0.294 0.000 1.019 650 N CA -0.152 53.101 53.050 0.339 0.000 0.941 650 N CB 1.446 40.208 38.487 0.457 0.000 1.123 650 N HN 0.594 nan 8.380 nan 0.000 0.486 651 M N 2.326 122.148 119.600 0.369 0.000 2.530 651 M HA 0.512 4.992 4.480 -0.000 0.000 0.307 651 M C -0.903 175.449 176.300 0.087 0.000 1.161 651 M CA -0.632 54.757 55.300 0.147 0.000 0.903 651 M CB 2.128 34.822 32.600 0.157 0.000 1.711 651 M HN 0.227 nan 8.290 nan 0.000 0.451 652 L N 2.799 123.868 121.223 -0.256 0.000 2.381 652 L HA 0.578 4.918 4.340 -0.000 0.000 0.274 652 L C -1.670 174.946 176.870 -0.424 0.000 0.988 652 L CA -0.683 54.036 54.840 -0.202 0.000 0.824 652 L CB 1.576 43.516 42.059 -0.199 0.000 1.263 652 L HN 0.582 nan 8.230 nan 0.000 0.410 653 Y N 2.936 123.273 120.300 0.062 0.000 2.376 653 Y HA 0.472 5.022 4.550 -0.000 0.000 0.340 653 Y C -2.262 173.645 175.900 0.011 0.000 0.965 653 Y CA -2.917 55.208 58.100 0.042 0.000 1.078 653 Y CB 1.483 39.975 38.460 0.053 0.000 1.193 653 Y HN 0.367 nan 8.280 nan 0.000 0.452 654 P HA 0.237 nan 4.420 nan 0.000 0.271 654 P C -0.532 176.806 177.300 0.063 0.000 1.216 654 P CA 0.105 63.247 63.100 0.069 0.000 0.776 654 P CB 1.105 32.830 31.700 0.042 0.000 0.881 655 I N 4.294 124.879 120.570 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 -2.714 58.588 61.300 0.004 0.000 1.135 655 I CB 1.655 39.639 38.000 -0.026 0.000 1.241 655 I HN 0.077 nan 8.210 nan 0.000 0.469 656 P HA 0.012 nan 4.420 nan 0.000 0.267 656 P C 0.001 177.296 177.300 -0.008 0.000 1.200 656 P CA -0.192 62.906 63.100 -0.003 0.000 0.772 656 P CB 0.567 32.268 31.700 0.001 0.000 0.855 657 A N 2.878 125.693 122.820 -0.008 0.000 2.567 657 A HA -0.027 4.293 4.320 -0.000 0.000 0.240 657 A C 0.934 178.515 177.584 -0.005 0.000 1.053 657 A CA 0.810 52.843 52.037 -0.006 0.000 0.755 657 A CB -1.488 17.510 19.000 -0.004 0.000 0.978 657 A HN 0.779 nan 8.150 nan 0.000 0.507 658 N N -0.890 117.806 118.700 -0.006 0.000 2.972 658 N HA -0.200 4.540 4.740 -0.000 0.000 0.225 658 N C 0.348 175.853 175.510 -0.007 0.000 0.883 658 N CA 0.722 53.770 53.050 -0.003 0.000 1.010 658 N CB -1.668 36.821 38.487 0.004 0.000 1.052 658 N HN 1.264 nan 8.380 nan 0.000 0.598 659 A N -0.027 122.787 122.820 -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 1.241 53.271 52.037 -0.011 0.000 0.774 659 A CB 0.523 19.519 19.000 -0.008 0.000 1.015 659 A HN 0.232 nan 8.150 nan 0.000 0.498 660 T N 0.251 114.796 114.554 -0.014 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 0.056 62.144 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 1.113 119.813 118.700 -0.000 0.000 2.372 661 N HA 0.530 5.270 4.740 -0.000 0.000 0.291 661 N C -1.397 174.126 175.510 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 -0.116 nan 8.380 nan 0.000 0.486 662 V N 4.631 124.575 119.914 0.051 0.000 2.385 662 V HA 0.479 4.599 4.120 -0.000 0.000 0.277 662 V C -2.405 173.735 176.094 0.076 0.000 1.012 662 V CA -1.380 60.956 62.300 0.060 0.000 0.832 662 V CB 1.292 33.146 31.823 0.051 0.000 1.028 662 V HN 0.593 nan 8.190 nan 0.000 0.436 663 P HA 0.653 nan 4.420 nan 0.000 0.300 663 P C -0.794 176.484 177.300 -0.036 0.000 1.326 663 P CA -0.504 62.597 63.100 0.001 0.000 0.844 663 P CB 1.935 33.634 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 -0.870 175.231 176.117 -0.025 0.000 1.049 664 I CA -0.670 60.549 61.300 -0.134 0.000 1.063 664 I CB 2.568 40.324 38.000 -0.408 0.000 1.248 664 I HN 0.043 nan 8.210 nan 0.000 0.424 665 S N 6.298 122.017 115.700 0.032 0.000 2.521 665 S HA 0.703 5.173 4.470 -0.000 0.000 0.295 665 S C -0.666 174.011 174.600 0.128 0.000 1.098 665 S CA -0.675 57.569 58.200 0.073 0.000 0.999 665 S CB 1.377 64.613 63.200 0.061 0.000 1.034 665 S HN 0.509 nan 8.310 nan 0.000 0.483 666 I N 5.334 125.991 120.570 0.144 0.000 2.411 666 I HA 0.343 4.513 4.170 -0.000 0.000 0.284 666 I C -2.388 173.808 176.117 0.132 0.000 1.012 666 I CA -2.489 58.907 61.300 0.160 0.000 1.119 666 I CB 1.482 39.628 38.000 0.244 0.000 1.261 666 I HN 0.356 nan 8.210 nan 0.000 0.448 667 P HA -0.027 nan 4.420 nan 0.000 0.266 667 P C 0.264 177.602 177.300 0.065 0.000 1.195 667 P CA 0.076 63.211 63.100 0.058 0.000 0.768 667 P CB 0.502 32.215 31.700 0.021 0.000 0.838 668 S N 3.220 118.976 115.700 0.094 0.000 2.810 668 S HA -0.019 4.451 4.470 -0.000 0.000 0.329 668 S C 0.359 174.982 174.600 0.037 0.000 1.231 668 S CA 0.285 58.562 58.200 0.128 0.000 1.042 668 S CB -0.407 62.845 63.200 0.087 0.000 0.756 668 S HN 0.738 nan 8.310 nan 0.000 0.504 669 R N 3.205 123.737 120.500 0.053 0.000 2.829 669 R HA 0.433 4.773 4.340 -0.000 0.000 0.267 669 R C -1.097 175.076 176.300 -0.211 0.000 1.051 669 R CA -1.118 54.860 56.100 -0.204 0.000 0.927 669 R CB 0.377 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 -0.134 118.347 118.700 -0.366 0.000 2.499 670 N HA 0.111 4.851 4.740 -0.000 0.000 0.281 670 N C -0.786 174.447 175.510 -0.461 0.000 1.098 670 N CA -0.233 52.690 53.050 -0.211 0.000 0.979 670 N CB 0.650 39.066 38.487 -0.118 0.000 1.121 670 N HN 0.595 nan 8.380 nan 0.000 0.466 671 W N 1.861 123.198 121.300 0.061 0.000 2.870 671 W HA 0.416 5.076 4.660 -0.000 0.000 0.358 671 W C 0.747 177.338 176.519 0.121 0.000 1.043 671 W CA -0.388 56.967 57.345 0.016 0.000 1.692 671 W CB -0.029 29.395 29.460 -0.061 0.000 1.100 671 W HN 0.510 nan 8.180 nan 0.000 0.557 672 A N 1.083 124.073 122.820 0.283 0.000 2.546 672 A HA 0.389 4.709 4.320 -0.000 0.000 0.243 672 A C 1.506 179.233 177.584 0.239 0.000 1.063 672 A CA 1.246 53.434 52.037 0.252 0.000 0.757 672 A CB -0.101 18.997 19.000 0.164 0.000 0.991 672 A HN 1.163 nan 8.150 nan 0.000 0.503 673 A N 1.537 124.512 122.820 0.257 0.000 3.383 673 A HA -0.182 4.138 4.320 -0.000 0.000 0.264 673 A C 0.382 178.206 177.584 0.400 0.000 1.154 673 A CA 0.759 52.964 52.037 0.280 0.000 1.179 673 A CB -2.606 16.494 19.000 0.168 0.000 1.133 673 A HN 2.015 nan 8.150 nan 0.000 0.933 674 F N 1.881 121.947 119.950 0.194 0.000 2.623 674 F HA 0.326 4.853 4.527 -0.000 0.000 0.383 674 F C 1.420 177.262 175.800 0.069 0.000 1.077 674 F CA 0.738 58.785 58.000 0.078 0.000 1.268 674 F CB 0.432 39.379 39.000 -0.089 0.000 1.053 674 F HN 0.281 nan 8.300 nan 0.000 0.571 675 R N 3.313 123.373 120.500 -0.733 0.000 2.195 675 R HA 0.416 4.756 4.340 -0.000 0.000 0.197 675 R C 0.771 176.563 176.300 -0.846 0.000 0.990 675 R CA 0.388 56.132 56.100 -0.594 0.000 1.048 675 R CB 0.070 30.097 30.300 -0.455 0.000 0.997 675 R HN 0.869 nan 8.270 nan 0.000 0.502 676 G N -0.156 107.634 108.800 -1.684 0.000 2.362 676 G HA2 0.033 3.993 3.960 -0.000 0.000 0.288 676 G HA3 0.033 3.993 3.960 -0.000 0.000 0.288 676 G C -1.847 172.529 174.900 -0.872 0.000 1.305 676 G CA -0.956 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 -0.102 121.103 121.300 -0.159 0.000 2.706 677 W HA 0.747 5.407 4.660 -0.000 0.000 0.346 677 W C 0.127 176.598 176.519 -0.079 0.000 1.071 677 W CA -0.310 56.979 57.345 -0.094 0.000 1.206 677 W CB 2.444 31.891 29.460 -0.020 0.000 1.413 677 W HN 1.236 nan 8.180 nan 0.000 0.542 678 A N 2.930 125.829 122.820 0.131 0.000 2.455 678 A HA 0.919 5.239 4.320 -0.000 0.000 0.300 678 A C -1.615 175.948 177.584 -0.035 0.000 1.040 678 A CA -0.535 51.471 52.037 -0.051 0.000 0.697 678 A CB 1.480 20.359 19.000 -0.201 0.000 1.265 678 A HN 0.645 nan 8.150 nan 0.000 0.407 679 F N -0.604 119.203 119.950 -0.237 0.000 2.693 679 F HA 0.889 5.416 4.527 -0.000 0.000 0.309 679 F C -0.243 175.319 175.800 -0.395 0.000 1.129 679 F CA -0.389 57.405 58.000 -0.343 0.000 0.948 679 F CB 1.195 40.048 39.000 -0.244 0.000 1.315 679 F HN 0.678 nan 8.300 nan 0.000 0.447 680 T N -0.461 114.015 114.554 -0.130 0.000 2.618 680 T HA 0.634 4.984 4.350 -0.000 0.000 0.293 680 T C -1.683 173.260 174.700 0.405 0.000 1.093 680 T CA -1.192 60.886 62.100 -0.036 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 0.248 120.937 120.500 0.315 0.000 2.533 681 R HA 0.680 5.020 4.340 -0.000 0.000 0.288 681 R C -1.913 174.441 176.300 0.090 0.000 1.039 681 R CA -0.648 55.573 56.100 0.201 0.000 0.909 681 R CB 0.956 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 2.256 123.538 121.223 0.098 0.000 2.301 682 L HA 0.611 4.951 4.340 -0.000 0.000 0.264 682 L C -0.343 176.536 176.870 0.016 0.000 1.016 682 L CA -1.174 53.710 54.840 0.074 0.000 0.821 682 L CB 1.886 44.034 42.059 0.148 0.000 1.346 682 L HN 0.410 nan 8.230 nan 0.000 0.429 683 K N -0.122 120.287 120.400 0.016 0.000 2.201 683 K HA 0.279 4.599 4.320 -0.000 0.000 0.278 683 K C 0.543 177.135 176.600 -0.014 0.000 1.027 683 K CA -0.369 55.919 56.287 0.002 0.000 0.909 683 K CB 1.574 34.087 32.500 0.023 0.000 1.062 683 K HN 0.587 nan 8.250 nan 0.000 0.465 684 T N 2.069 116.611 114.554 -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 2.106 64.193 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 1.617 121.989 120.400 -0.047 0.000 2.147 685 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 685 K C 1.744 178.215 176.600 -0.216 0.000 1.049 685 K CA 1.557 57.790 56.287 -0.090 0.000 0.936 685 K CB -0.757 31.671 32.500 -0.121 0.000 0.722 685 K HN 0.669 nan 8.250 nan 0.000 0.446 686 E N 0.234 120.270 120.200 -0.272 0.000 2.437 686 E HA 0.065 4.415 4.350 -0.000 0.000 0.189 686 E C -0.476 176.170 176.600 0.077 0.000 1.054 686 E CA 0.013 56.191 56.400 -0.370 0.000 0.874 686 E CB 0.583 30.093 29.700 -0.315 0.000 1.011 686 E HN 0.362 nan 8.360 nan 0.000 0.474 687 T N 3.452 118.055 114.554 0.083 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 -0.145 0.000 1.140 687 T CA -1.693 60.396 62.100 -0.019 0.000 1.040 687 T CB 1.079 69.882 68.868 -0.108 0.000 1.046 687 T HN -0.038 nan 8.240 nan 0.000 0.494 688 P HA 0.112 nan 4.420 nan 0.000 0.268 688 P C -0.011 177.026 177.300 -0.438 0.000 1.208 688 P CA -0.258 62.298 63.100 -0.906 0.000 0.777 688 P CB 0.560 31.489 31.700 -1.285 0.000 0.875 689 S N 1.456 116.956 115.700 -0.333 0.000 2.499 689 S HA 0.216 4.686 4.470 -0.000 0.000 0.275 689 S C 0.938 175.420 174.600 -0.195 0.000 1.257 689 S CA -0.639 57.432 58.200 -0.215 0.000 1.050 689 S CB -0.617 62.508 63.200 -0.125 0.000 0.937 689 S HN 0.343 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 2.059 178.911 176.870 -0.030 0.000 1.123 690 L CA 0.079 54.870 54.840 -0.081 0.000 0.900 690 L CB -0.208 41.825 42.059 -0.043 0.000 1.146 690 L HN 0.849 nan 8.230 nan 0.000 0.484 691 G N 0.529 109.298 108.800 -0.052 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 0.626 45.709 45.100 -0.028 0.000 1.170 691 G HN 0.388 nan 8.290 nan 0.000 0.520 692 S N -3.557 112.139 115.700 -0.007 0.000 2.683 692 S HA 0.405 4.875 4.470 -0.000 0.000 0.278 692 S C 0.866 175.491 174.600 0.042 0.000 1.059 692 S CA 0.105 58.304 58.200 -0.002 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 -0.236 108.598 108.800 0.056 0.000 2.509 693 G HA2 0.180 4.140 3.960 -0.000 0.000 0.218 693 G HA3 0.180 4.140 3.960 -0.000 0.000 0.218 693 G C -0.040 174.849 174.900 -0.018 0.000 1.124 693 G CA 1.106 46.315 45.100 0.181 0.000 0.776 693 G HN 1.027 nan 8.290 nan 0.000 0.547 694 Y N -0.428 119.639 120.300 -0.390 0.000 2.442 694 Y HA 0.433 4.983 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 -1.589 56.245 58.100 -0.443 0.000 1.034 694 Y CB 2.117 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 8.024 127.990 120.400 -0.723 0.000 2.473 695 D HA 0.347 4.987 4.640 -0.000 0.000 0.226 695 D C -1.953 173.977 176.300 -0.617 0.000 1.089 695 D CA -2.508 51.191 54.000 -0.501 0.000 0.883 695 D CB 1.792 42.402 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 0.492 177.588 177.300 -0.341 0.000 1.146 696 P CA 1.001 63.867 63.100 -0.389 0.000 0.808 696 P CB -0.015 31.366 31.700 -0.532 0.000 0.779 697 Y N -3.165 117.129 120.300 -0.010 0.000 2.470 697 Y HA 0.186 4.737 4.550 -0.000 0.000 0.284 697 Y C 0.757 176.703 175.900 0.078 0.000 1.188 697 Y CA -0.992 57.123 58.100 0.025 0.000 1.269 697 Y CB -1.174 37.297 38.460 0.018 0.000 1.094 697 Y HN -0.102 nan 8.280 nan 0.000 0.518 698 Y N 2.442 122.730 120.300 -0.019 0.000 2.595 698 Y HA 0.282 4.832 4.550 -0.000 0.000 0.347 698 Y C 0.626 176.543 175.900 0.028 0.000 1.025 698 Y CA -1.379 56.719 58.100 -0.004 0.000 1.295 698 Y CB 0.248 38.661 38.460 -0.077 0.000 1.147 698 Y HN 0.110 nan 8.280 nan 0.000 0.515 699 T N 3.128 117.596 114.554 -0.143 0.000 3.350 699 T HA 0.301 4.651 4.350 -0.000 0.000 0.246 699 T C -1.080 173.532 174.700 -0.147 0.000 1.284 699 T CA -0.488 61.533 62.100 -0.130 0.000 1.329 699 T CB -0.783 68.071 68.868 -0.024 0.000 1.033 699 T HN 0.490 nan 8.240 nan 0.000 0.632 700 Y N 0.862 120.813 120.300 -0.582 0.000 2.519 700 Y HA 0.548 5.098 4.550 -0.000 0.000 0.336 700 Y C -0.122 175.531 175.900 -0.411 0.000 1.089 700 Y CA -0.791 57.045 58.100 -0.439 0.000 1.025 700 Y CB 2.045 40.255 38.460 -0.416 0.000 1.318 700 Y HN 0.225 nan 8.280 nan 0.000 0.452 701 S N 1.879 117.047 115.700 -0.886 0.000 2.952 701 S HA 0.472 4.942 4.470 -0.000 0.000 0.251 701 S C 0.396 174.604 174.600 -0.653 0.000 1.021 701 S CA -0.024 57.824 58.200 -0.587 0.000 1.067 701 S CB 0.087 63.120 63.200 -0.277 0.000 1.002 701 S HN 0.994 nan 8.310 nan 0.000 0.574 702 G N 2.056 110.024 108.800 -1.387 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 0.073 174.964 174.900 -0.014 0.000 1.416 702 G CA -0.145 44.639 45.100 -0.525 0.000 1.052 702 G HN 0.696 nan 8.290 nan 0.000 0.542 703 S N -1.306 114.537 115.700 0.238 0.000 2.568 703 S HA 0.283 4.753 4.470 -0.000 0.000 0.282 703 S C -0.026 174.797 174.600 0.371 0.000 1.338 703 S CA -0.280 58.068 58.200 0.247 0.000 1.045 703 S CB 0.386 63.712 63.200 0.209 0.000 0.873 703 S HN 0.371 nan 8.310 nan 0.000 0.516 704 I N 4.308 125.030 120.570 0.253 0.000 2.503 704 I HA 0.291 4.461 4.170 -0.000 0.000 0.277 704 I C -1.840 174.364 176.117 0.145 0.000 1.078 704 I CA -2.358 59.105 61.300 0.273 0.000 1.184 704 I CB 1.499 39.663 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 1.564 178.870 177.300 0.009 0.000 1.154 705 P CA 1.633 64.705 63.100 -0.046 0.000 0.872 705 P CB 0.025 31.838 31.700 0.189 0.000 0.790 706 Y N 0.008 120.382 120.300 0.123 0.000 2.256 706 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 706 Y C 1.969 177.918 175.900 0.082 0.000 1.155 706 Y CA 1.555 59.726 58.100 0.118 0.000 1.203 706 Y CB -0.669 37.743 38.460 -0.079 0.000 0.980 706 Y HN -0.146 nan 8.280 nan 0.000 0.530 707 L N -0.819 120.437 121.223 0.055 0.000 2.388 707 L HA 0.066 4.406 4.340 -0.000 0.000 0.209 707 L C 1.650 178.477 176.870 -0.072 0.000 1.061 707 L CA 0.848 55.680 54.840 -0.012 0.000 0.834 707 L CB -0.222 41.905 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 -0.115 0.000 2.366 708 D HA 0.084 4.724 4.640 -0.000 0.000 0.205 708 D C 1.471 177.560 176.300 -0.351 0.000 1.022 708 D CA 0.816 54.713 54.000 -0.172 0.000 0.868 708 D CB 0.326 41.061 40.800 -0.109 0.000 0.953 708 D HN 0.163 nan 8.370 nan 0.000 0.514 709 G N 0.230 108.646 108.800 -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 0.669 175.057 174.900 -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 -0.363 113.752 114.554 -0.732 0.000 3.624 710 T HA 0.542 4.892 4.350 -0.000 0.000 0.231 710 T C 0.596 175.289 174.700 -0.012 0.000 0.865 710 T CA -0.538 61.164 62.100 -0.662 0.000 0.926 710 T CB -0.653 67.598 68.868 -1.029 0.000 1.189 710 T HN 0.283 nan 8.240 nan 0.000 0.640 711 F N 2.834 122.936 119.950 0.253 0.000 2.572 711 F HA 0.281 4.808 4.527 -0.000 0.000 0.370 711 F C 1.015 177.101 175.800 0.478 0.000 1.103 711 F CA -1.076 57.093 58.000 0.283 0.000 1.286 711 F CB 0.019 39.091 39.000 0.120 0.000 1.105 711 F HN 0.512 nan 8.300 nan 0.000 0.583 712 Y N -0.491 120.092 120.300 0.471 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 0.321 0.000 1.090 712 Y CA -0.419 57.914 58.100 0.387 0.000 1.258 712 Y CB -0.767 37.908 38.460 0.358 0.000 1.346 712 Y HN 0.382 nan 8.280 nan 0.000 0.578 713 L N 0.859 122.032 121.223 -0.084 0.000 3.066 713 L HA 0.335 4.675 4.340 -0.000 0.000 0.265 713 L C 0.913 177.682 176.870 -0.168 0.000 1.232 713 L CA -0.100 54.593 54.840 -0.245 0.000 1.031 713 L CB 0.114 41.968 42.059 -0.341 0.000 1.379 713 L HN 0.172 nan 8.230 nan 0.000 0.563 714 N N 0.592 119.326 118.700 0.057 0.000 2.364 714 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 714 N C 1.663 177.541 175.510 0.614 0.000 1.022 714 N CA 1.045 54.248 53.050 0.255 0.000 0.883 714 N CB -0.098 38.192 38.487 -0.328 0.000 0.965 714 N HN 0.592 nan 8.380 nan 0.000 0.438 715 H N -0.687 118.593 119.070 0.349 0.000 2.556 715 H HA 0.105 4.661 4.556 -0.000 0.000 0.268 715 H C 1.075 176.443 175.328 0.067 0.000 0.996 715 H CA 1.171 57.266 56.048 0.078 0.000 1.157 715 H CB -0.483 29.106 29.762 -0.288 0.000 1.355 715 H HN 0.130 nan 8.280 nan 0.000 0.597 716 T N -2.399 112.037 114.554 -0.198 0.000 3.107 716 T HA 0.115 4.465 4.350 -0.000 0.000 0.249 716 T C 0.247 174.868 174.700 -0.132 0.000 1.096 716 T CA -0.522 61.464 62.100 -0.190 0.000 1.012 716 T CB -0.659 68.002 68.868 -0.345 0.000 0.977 716 T HN 0.023 nan 8.240 nan 0.000 0.527 717 F N 1.582 121.608 119.950 0.125 0.000 2.412 717 F HA 0.521 5.048 4.527 -0.000 0.000 0.348 717 F C 1.499 177.304 175.800 0.008 0.000 1.102 717 F CA -0.725 57.347 58.000 0.120 0.000 1.196 717 F CB 1.510 40.657 39.000 0.246 0.000 1.144 717 F HN -0.121 nan 8.300 nan 0.000 0.541 718 K N 1.572 122.050 120.400 0.129 0.000 2.225 718 K HA 0.161 4.481 4.320 -0.000 0.000 0.204 718 K C -0.387 176.190 176.600 -0.038 0.000 1.047 718 K CA 0.499 56.806 56.287 0.035 0.000 0.970 718 K CB 0.475 32.986 32.500 0.019 0.000 0.939 718 K HN 0.644 nan 8.250 nan 0.000 0.472 719 K N -1.098 119.287 120.400 -0.024 0.000 2.615 719 K HA 0.462 4.782 4.320 -0.000 0.000 0.291 719 K C -1.495 175.015 176.600 -0.149 0.000 1.017 719 K CA -1.095 55.129 56.287 -0.106 0.000 0.882 719 K CB 2.149 34.605 32.500 -0.074 0.000 1.522 719 K HN -0.208 nan 8.250 nan 0.000 0.412 720 V N -0.209 119.580 119.914 -0.209 0.000 2.668 720 V HA 0.774 4.894 4.120 -0.000 0.000 0.304 720 V C -1.144 174.822 176.094 -0.214 0.000 1.071 720 V CA -0.749 61.301 62.300 -0.418 0.000 0.894 720 V CB 1.533 32.972 31.823 -0.639 0.000 1.008 720 V HN 0.972 nan 8.190 nan 0.000 0.425 721 A N 5.622 128.256 122.820 -0.310 0.000 2.304 721 A HA 0.923 5.243 4.320 -0.000 0.000 0.314 721 A C -0.843 176.604 177.584 -0.228 0.000 1.187 721 A CA -0.435 51.502 52.037 -0.166 0.000 0.810 721 A CB 0.688 19.610 19.000 -0.131 0.000 1.183 721 A HN 0.798 nan 8.150 nan 0.000 0.487 722 I N 2.304 122.812 120.570 -0.102 0.000 2.404 722 I HA 0.487 4.657 4.170 -0.000 0.000 0.293 722 I C -0.362 175.733 176.117 -0.038 0.000 0.992 722 I CA -0.095 61.104 61.300 -0.168 0.000 1.149 722 I CB 2.367 40.244 38.000 -0.205 0.000 1.315 722 I HN 0.624 nan 8.210 nan 0.000 0.446 723 T N 4.809 119.274 114.554 -0.147 0.000 2.928 723 T HA 0.519 4.869 4.350 -0.000 0.000 0.296 723 T C -0.672 173.946 174.700 -0.136 0.000 1.000 723 T CA -0.572 61.505 62.100 -0.038 0.000 0.989 723 T CB 1.051 69.915 68.868 -0.008 0.000 1.005 723 T HN 0.036 nan 8.240 nan 0.000 0.442 724 F N 2.003 122.006 119.950 0.089 0.000 2.399 724 F HA 0.355 4.882 4.527 -0.000 0.000 0.334 724 F C 0.856 176.723 175.800 0.112 0.000 1.097 724 F CA -0.493 57.552 58.000 0.075 0.000 1.076 724 F CB 0.868 39.924 39.000 0.092 0.000 1.162 724 F HN 0.612 nan 8.300 nan 0.000 0.495 725 D N 2.518 123.114 120.400 0.327 0.000 2.701 725 D HA -0.289 4.351 4.640 -0.000 0.000 0.235 725 D C 1.264 177.651 176.300 0.144 0.000 1.155 725 D CA 1.339 55.476 54.000 0.228 0.000 0.649 725 D CB -1.281 39.666 40.800 0.244 0.000 1.050 725 D HN 0.991 nan 8.370 nan 0.000 0.425 726 S N -2.286 113.479 115.700 0.108 0.000 3.017 726 S HA -0.376 4.094 4.470 -0.000 0.000 0.283 726 S C 1.537 176.180 174.600 0.072 0.000 1.304 726 S CA 2.949 61.192 58.200 0.072 0.000 1.224 726 S CB -1.694 61.542 63.200 0.061 0.000 1.480 726 S HN 1.046 nan 8.310 nan 0.000 0.698 727 S N -2.404 113.355 115.700 0.099 0.000 2.918 727 S HA 0.494 4.964 4.470 -0.000 0.000 0.264 727 S C 0.212 174.876 174.600 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 0.075 0.000 0.882 727 S HN 1.028 nan 8.310 nan 0.000 0.466 728 V N 3.286 123.295 119.914 0.157 0.000 2.455 728 V HA 0.505 4.625 4.120 -0.000 0.000 0.273 728 V C 0.271 176.510 176.094 0.241 0.000 1.045 728 V CA -0.282 62.134 62.300 0.194 0.000 0.976 728 V CB 1.006 32.968 31.823 0.232 0.000 0.993 728 V HN 0.464 nan 8.190 nan 0.000 0.475 729 S N 5.145 120.958 115.700 0.188 0.000 2.465 729 S HA 0.385 4.855 4.470 -0.000 0.000 0.279 729 S C -0.824 173.945 174.600 0.281 0.000 1.201 729 S CA -0.556 57.757 58.200 0.189 0.000 1.053 729 S CB 0.133 63.383 63.200 0.084 0.000 0.953 729 S HN 0.667 nan 8.310 nan 0.000 0.488 730 W N 7.482 128.911 121.300 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 1.511 31.312 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 0.245 731 P C 0.971 178.019 177.300 -0.420 0.000 1.206 731 P CA 1.062 63.484 63.100 -1.131 0.000 0.781 731 P CB 0.314 31.279 31.700 -1.224 0.000 0.994 732 G N 1.644 110.321 108.800 -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 0.483 175.297 174.900 -0.144 0.000 1.273 732 G CA 0.473 45.506 45.100 -0.112 0.000 0.974 732 G HN 0.282 nan 8.290 nan 0.000 0.552 733 N N -0.070 118.574 118.700 -0.094 0.000 2.732 733 N HA -0.199 4.541 4.740 -0.000 0.000 0.250 733 N C 0.731 176.189 175.510 -0.088 0.000 1.097 733 N CA 2.482 55.476 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 1.362 nan 8.380 nan 0.000 0.572 734 D N -1.821 118.528 120.400 -0.085 0.000 2.945 734 D HA -0.204 4.436 4.640 -0.000 0.000 0.225 734 D C 1.226 177.478 176.300 -0.080 0.000 1.158 734 D CA 1.154 55.111 54.000 -0.073 0.000 0.805 734 D CB -0.391 40.378 40.800 -0.051 0.000 1.098 734 D HN 0.444 nan 8.370 nan 0.000 0.426 735 R N -0.364 120.073 120.500 -0.104 0.000 2.062 735 R HA 0.017 4.357 4.340 -0.000 0.000 0.231 735 R C 1.299 177.561 176.300 -0.062 0.000 1.136 735 R CA 0.740 56.792 56.100 -0.080 0.000 0.948 735 R CB -0.255 29.986 30.300 -0.098 0.000 0.845 735 R HN 0.307 nan 8.270 nan 0.000 0.430 736 L N 1.123 122.276 121.223 -0.117 0.000 2.421 736 L HA 0.145 4.485 4.340 -0.000 0.000 0.263 736 L C 1.993 178.778 176.870 -0.142 0.000 1.122 736 L CA -0.441 54.314 54.840 -0.141 0.000 0.804 736 L CB 0.482 42.392 42.059 -0.249 0.000 1.150 736 L HN 0.008 nan 8.230 nan 0.000 0.457 737 L N 0.544 121.655 121.223 -0.187 0.000 2.127 737 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 737 L C 1.262 178.054 176.870 -0.130 0.000 1.089 737 L CA 1.536 56.222 54.840 -0.257 0.000 0.757 737 L CB -0.484 41.193 42.059 -0.635 0.000 0.899 737 L HN 0.845 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 -1.628 173.003 174.700 -0.114 0.000 1.640 738 T CA -1.767 60.303 62.100 -0.049 0.000 1.631 738 T CB 0.656 69.528 68.868 0.007 0.000 0.928 738 T HN -0.098 nan 8.240 nan 0.000 0.688 739 P HA -0.198 nan 4.420 nan 0.000 0.219 739 P C 1.080 178.290 177.300 -0.150 0.000 1.151 739 P CA 1.306 64.321 63.100 -0.142 0.000 0.850 739 P CB 0.064 31.710 31.700 -0.090 0.000 0.784 740 N N -0.018 118.621 118.700 -0.103 0.000 2.515 740 N HA -0.036 4.704 4.740 -0.000 0.000 0.185 740 N C 0.597 176.048 175.510 -0.097 0.000 1.109 740 N CA 0.672 53.674 53.050 -0.080 0.000 0.903 740 N CB 0.124 38.586 38.487 -0.042 0.000 0.969 740 N HN 0.548 nan 8.380 nan 0.000 0.450 741 E N -1.604 118.500 120.200 -0.159 0.000 2.417 741 E HA 0.240 4.590 4.350 -0.000 0.000 0.280 741 E C -1.524 174.933 176.600 -0.239 0.000 1.112 741 E CA -0.785 55.530 56.400 -0.141 0.000 0.863 741 E CB 0.246 29.903 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 0.245 175.954 175.800 -0.152 0.000 1.129 742 F CA -0.272 57.699 58.000 -0.049 0.000 1.154 742 F CB 1.176 40.193 39.000 0.029 0.000 1.205 742 F HN 0.281 nan 8.300 nan 0.000 0.513 743 E N 4.090 124.296 120.200 0.010 0.000 2.089 743 E HA 0.204 4.554 4.350 -0.000 0.000 0.284 743 E C 0.749 177.248 176.600 -0.167 0.000 1.023 743 E CA -0.146 56.217 56.400 -0.062 0.000 0.819 743 E CB 1.054 30.753 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 0.608 176.589 176.117 -0.227 0.000 1.119 744 I CA 1.243 62.078 61.300 -0.775 0.000 1.417 744 I CB 0.039 37.385 38.000 -1.091 0.000 1.078 744 I HN 0.389 nan 8.210 nan 0.000 0.421 745 K N -0.175 120.208 120.400 -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 -0.926 55.442 56.287 0.135 0.000 0.854 745 K CB 1.779 34.459 32.500 0.301 0.000 1.424 745 K HN -0.203 nan 8.250 nan 0.000 0.427 746 R N 0.471 121.049 120.500 0.131 0.000 2.740 746 R HA 0.562 4.902 4.340 -0.000 0.000 0.282 746 R C -0.838 175.521 176.300 0.099 0.000 0.969 746 R CA -0.589 55.572 56.100 0.102 0.000 0.918 746 R CB 2.122 32.486 30.300 0.106 0.000 1.175 746 R HN 0.896 nan 8.270 nan 0.000 0.464 747 S N 1.806 117.548 115.700 0.071 0.000 2.461 747 S HA 0.407 4.877 4.470 -0.000 0.000 0.322 747 S C 1.166 175.794 174.600 0.046 0.000 1.063 747 S CA -0.592 57.646 58.200 0.063 0.000 1.120 747 S CB 0.357 63.588 63.200 0.052 0.000 0.968 747 S HN 0.548 nan 8.310 nan 0.000 0.467 748 V N 1.325 121.269 119.914 0.049 0.000 0.564 748 V HA -0.523 3.597 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 -2.147 29.689 31.823 0.023 0.000 0.759 748 V HN 0.915 nan 8.190 nan 0.000 0.788 749 D N 0.372 120.777 120.400 0.008 0.000 2.228 749 D HA 0.110 4.750 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 2.069 56.063 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 1.228 nan 8.370 nan 0.000 0.469 750 G N -1.207 107.588 108.800 -0.010 0.000 3.690 750 G HA2 0.264 4.224 3.960 -0.000 0.000 0.283 750 G HA3 0.264 4.224 3.960 -0.000 0.000 0.283 750 G C 1.036 175.937 174.900 0.003 0.000 1.057 750 G CA 0.478 45.559 45.100 -0.032 0.000 0.821 750 G HN 0.188 nan 8.290 nan 0.000 0.526 751 E N 1.656 121.864 120.200 0.015 0.000 2.132 751 E HA -0.227 4.123 4.350 -0.000 0.000 0.218 751 E C 2.640 179.273 176.600 0.056 0.000 1.058 751 E CA 1.751 58.175 56.400 0.040 0.000 0.882 751 E CB -0.851 28.865 29.700 0.027 0.000 0.774 751 E HN 0.346 nan 8.360 nan 0.000 0.467 752 G N -0.444 108.365 108.800 0.014 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 1.226 176.252 174.900 0.210 0.000 1.113 752 G CA 1.189 46.316 45.100 0.046 0.000 0.748 752 G HN 0.273 nan 8.290 nan 0.000 0.585 753 Y N 0.972 121.292 120.300 0.033 0.000 2.490 753 Y HA 0.228 4.778 4.550 -0.000 0.000 0.281 753 Y C 1.034 176.961 175.900 0.045 0.000 1.174 753 Y CA -1.120 57.003 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 0.093 nan 8.280 nan 0.000 0.522 754 N N -0.534 118.283 118.700 0.195 0.000 2.434 754 N HA 0.387 5.127 4.740 -0.000 0.000 0.266 754 N C -0.434 175.118 175.510 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 40.768 38.487 0.119 0.000 1.207 754 N HN -0.065 nan 8.380 nan 0.000 0.525 755 V N -1.084 118.837 119.914 0.013 0.000 3.181 755 V HA 0.560 4.680 4.120 -0.000 0.000 0.307 755 V C -0.441 175.571 176.094 -0.135 0.000 1.310 755 V CA 0.028 62.273 62.300 -0.092 0.000 1.067 755 V CB 1.343 33.047 31.823 -0.198 0.000 1.081 755 V HN 0.843 nan 8.190 nan 0.000 0.453 756 A N 1.698 124.379 122.820 -0.233 0.000 2.799 756 A HA -0.265 4.055 4.320 -0.000 0.000 0.274 756 A C 0.765 178.334 177.584 -0.025 0.000 1.393 756 A CA 2.039 53.972 52.037 -0.174 0.000 0.909 756 A CB -2.284 16.571 19.000 -0.242 0.000 1.012 756 A HN 1.701 nan 8.150 nan 0.000 0.653 757 Q N -4.392 115.405 119.800 -0.004 0.000 2.502 757 Q HA -0.260 4.080 4.340 -0.000 0.000 0.273 757 Q C 0.309 176.348 176.000 0.065 0.000 1.127 757 Q CA 1.208 57.029 55.803 0.029 0.000 0.952 757 Q CB -2.744 26.005 28.738 0.018 0.000 1.333 757 Q HN 2.177 nan 8.270 nan 0.000 0.494 758 C N -2.376 116.984 119.300 0.100 0.000 3.311 758 C HA 0.598 5.058 4.460 -0.000 0.000 0.366 758 C C 1.191 176.305 174.990 0.207 0.000 1.694 758 C CA -0.198 58.924 59.018 0.173 0.000 1.244 758 C CB 0.903 28.771 27.740 0.214 0.000 2.038 758 C HN 0.456 nan 8.230 nan 0.000 0.436 759 N N 0.675 119.560 118.700 0.308 0.000 2.370 759 N HA 0.073 4.813 4.740 -0.000 0.000 0.198 759 N C 0.144 175.842 175.510 0.314 0.000 1.156 759 N CA -0.019 53.205 53.050 0.289 0.000 0.839 759 N CB -0.242 38.413 38.487 0.280 0.000 0.989 759 N HN 0.889 nan 8.380 nan 0.000 0.468 760 M N 1.649 121.414 119.600 0.275 0.000 2.242 760 M HA 0.097 4.577 4.480 -0.000 0.000 0.344 760 M C 0.164 176.549 176.300 0.141 0.000 1.140 760 M CA -0.303 55.102 55.300 0.175 0.000 1.160 760 M CB 0.939 33.547 32.600 0.013 0.000 1.491 760 M HN 0.207 nan 8.290 nan 0.000 0.459 761 T N 1.097 115.742 114.554 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 61.546 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 0.561 121.007 120.400 0.077 0.000 2.057 762 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 762 K C 1.854 178.509 176.600 0.093 0.000 1.049 762 K CA 1.660 57.991 56.287 0.074 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 0.178 120.598 120.400 0.033 0.000 2.106 763 D HA -0.233 4.407 4.640 -0.000 0.000 0.191 763 D C 1.488 177.817 176.300 0.048 0.000 0.997 763 D CA 0.924 54.932 54.000 0.013 0.000 0.834 763 D CB -0.281 40.507 40.800 -0.021 0.000 0.956 763 D HN 0.366 nan 8.370 nan 0.000 0.448 764 W N 0.379 121.617 121.300 -0.103 0.000 2.358 764 W HA -0.236 4.424 4.660 -0.000 0.000 0.303 764 W C 2.130 178.504 176.519 -0.242 0.000 1.208 764 W CA 0.509 57.744 57.345 -0.184 0.000 1.274 764 W CB -0.544 28.791 29.460 -0.208 0.000 1.138 764 W HN -0.072 nan 8.180 nan 0.000 0.515 765 F N 1.268 121.076 119.950 -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 -0.344 0.000 1.089 765 F CA 1.893 59.669 58.000 -0.373 0.000 1.282 765 F CB -0.942 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 -0.285 120.851 121.223 -0.145 0.000 2.027 766 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 766 L C 2.169 178.810 176.870 -0.383 0.000 1.074 766 L CA 1.706 56.491 54.840 -0.092 0.000 0.745 766 L CB -0.999 41.081 42.059 0.034 0.000 0.898 766 L HN 0.022 nan 8.230 nan 0.000 0.433 767 V N -0.275 119.312 119.914 -0.545 0.000 2.358 767 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 767 V C 2.692 178.292 176.094 -0.822 0.000 1.047 767 V CA 1.637 63.479 62.300 -0.763 0.000 1.035 767 V CB -0.796 30.478 31.823 -0.916 0.000 0.658 767 V HN 0.506 nan 8.190 nan 0.000 0.452 768 Q N -0.907 118.240 119.800 -1.088 0.000 2.084 768 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 768 Q C 2.245 177.756 176.000 -0.815 0.000 0.978 768 Q CA 1.333 56.431 55.803 -1.175 0.000 0.844 768 Q CB -0.451 27.173 28.738 -1.857 0.000 0.898 768 Q HN 0.470 nan 8.270 nan 0.000 0.426 769 M N -0.012 119.176 119.600 -0.687 0.000 2.132 769 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 769 M C 2.301 178.473 176.300 -0.214 0.000 1.065 769 M CA 1.142 56.252 55.300 -0.317 0.000 1.122 769 M CB -0.901 31.495 32.600 -0.341 0.000 1.365 769 M HN 0.156 nan 8.290 nan 0.000 0.411 770 L N -0.317 120.726 121.223 -0.299 0.000 2.044 770 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 770 L C 2.780 179.535 176.870 -0.191 0.000 1.075 770 L CA 1.160 55.870 54.840 -0.217 0.000 0.747 770 L CB -0.996 40.944 42.059 -0.198 0.000 0.903 770 L HN 0.240 nan 8.230 nan 0.000 0.435 771 A N 0.058 122.719 122.820 -0.265 0.000 1.940 771 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 771 A C 2.106 179.504 177.584 -0.311 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 -2.106 116.305 118.700 -0.482 0.000 2.305 772 N HA -0.016 4.724 4.740 -0.000 0.000 0.179 772 N C 0.470 175.473 175.510 -0.846 0.000 1.019 772 N CA 1.495 54.079 53.050 -0.778 0.000 0.869 772 N CB 0.048 37.798 38.487 -1.228 0.000 1.000 772 N HN 0.674 nan 8.380 nan 0.000 0.431 773 Y N -0.782 119.444 120.300 -0.123 0.000 2.672 773 Y HA 0.349 4.899 4.550 -0.000 0.000 0.252 773 Y C 0.058 175.888 175.900 -0.117 0.000 1.132 773 Y CA -0.643 57.385 58.100 -0.121 0.000 1.228 773 Y CB 0.101 38.464 38.460 -0.162 0.000 1.310 773 Y HN -0.188 nan 8.280 nan 0.000 0.549 774 N N 0.663 119.354 118.700 -0.015 0.000 2.800 774 N HA -0.194 4.546 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 0.822 53.862 53.050 -0.018 0.000 0.804 774 N CB -1.419 37.085 38.487 0.028 0.000 1.135 774 N HN 0.443 nan 8.380 nan 0.000 0.565 775 I N -0.626 119.879 120.570 -0.107 0.000 2.331 775 I HA 0.500 4.670 4.170 -0.000 0.000 0.292 775 I C 1.465 177.389 176.117 -0.322 0.000 0.998 775 I CA 0.523 61.681 61.300 -0.236 0.000 1.267 775 I CB 1.498 39.258 38.000 -0.401 0.000 1.386 775 I HN 0.235 nan 8.210 nan 0.000 0.476 776 G N 3.979 112.510 108.800 -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 -0.674 0.000 0.972 776 G CA -0.211 44.454 45.100 -0.726 0.000 0.882 776 G HN 0.457 nan 8.290 nan 0.000 0.364 777 Y N 1.415 121.592 120.300 -0.205 0.000 2.519 777 Y HA 0.340 4.890 4.550 -0.000 0.000 0.287 777 Y C 2.170 177.997 175.900 -0.122 0.000 1.128 777 Y CA 1.113 59.127 58.100 -0.143 0.000 1.282 777 Y CB 0.440 38.854 38.460 -0.077 0.000 1.027 777 Y HN 0.243 nan 8.280 nan 0.000 0.551 778 Q N 0.070 119.875 119.800 0.008 0.000 2.233 778 Q HA 0.432 4.772 4.340 -0.000 0.000 0.340 778 Q C 0.082 176.098 176.000 0.028 0.000 0.899 778 Q CA -0.042 55.780 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 0.374 nan 8.270 nan 0.000 0.431 779 G N 0.594 109.331 108.800 -0.106 0.000 2.690 779 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 779 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 779 G C -1.116 173.697 174.900 -0.145 0.000 1.277 779 G CA -1.037 44.019 45.100 -0.074 0.000 0.799 779 G HN 0.157 nan 8.290 nan 0.000 0.613 780 F N 1.232 121.247 119.950 0.107 0.000 2.421 780 F HA 0.825 5.352 4.527 -0.000 0.000 0.337 780 F C 0.706 176.554 175.800 0.079 0.000 1.105 780 F CA -0.236 57.761 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 -0.189 120.192 120.300 0.134 0.000 2.689 781 Y HA 0.624 5.174 4.550 -0.000 0.000 0.333 781 Y C -1.121 174.641 175.900 -0.230 0.000 1.208 781 Y CA -2.126 55.963 58.100 -0.018 0.000 1.055 781 Y CB 0.455 38.891 38.460 -0.040 0.000 1.304 781 Y HN 0.345 nan 8.280 nan 0.000 0.455 782 I N 4.309 124.807 120.570 -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 -1.477 59.512 61.300 -0.518 0.000 1.420 782 I CB 0.358 38.176 38.000 -0.303 0.000 1.387 782 I HN 0.394 nan 8.210 nan 0.000 0.553 783 P HA 0.129 nan 4.420 nan 0.000 0.269 783 P C -0.225 176.850 177.300 -0.376 0.000 1.215 783 P CA -0.209 62.509 63.100 -0.637 0.000 0.780 783 P CB 0.308 31.253 31.700 -1.257 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 -0.272 0.000 0.915 784 E CB -0.720 28.781 29.700 -0.332 0.000 0.951 784 E HN 0.438 nan 8.360 nan 0.000 0.449 785 S N 1.016 116.633 115.700 -0.138 0.000 2.389 785 S HA -0.319 4.151 4.470 -0.000 0.000 0.231 785 S C 1.952 176.532 174.600 -0.034 0.000 1.052 785 S CA 2.094 60.263 58.200 -0.051 0.000 1.053 785 S CB -0.963 62.254 63.200 0.028 0.000 0.886 785 S HN 0.990 nan 8.310 nan 0.000 0.456 786 Y N 1.791 122.105 120.300 0.024 0.000 2.497 786 Y HA 0.187 4.737 4.550 -0.000 0.000 0.292 786 Y C 1.638 177.578 175.900 0.065 0.000 1.137 786 Y CA 0.522 58.642 58.100 0.034 0.000 1.285 786 Y CB -0.529 37.945 38.460 0.024 0.000 0.991 786 Y HN 0.126 nan 8.280 nan 0.000 0.556 787 K N -0.312 119.824 120.400 -0.439 0.000 2.352 787 K HA 0.015 4.335 4.320 -0.000 0.000 0.194 787 K C -0.213 176.463 176.600 0.126 0.000 1.038 787 K CA 0.587 56.788 56.287 -0.143 0.000 1.023 787 K CB 0.242 32.627 32.500 -0.192 0.000 0.840 787 K HN 0.111 nan 8.250 nan 0.000 0.519 788 D N 2.305 122.740 120.400 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 -0.310 53.795 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 1.934 122.511 120.500 0.127 0.000 2.519 789 R HA 0.273 4.613 4.340 -0.000 0.000 0.244 789 R C 1.553 177.862 176.300 0.015 0.000 1.241 789 R CA -0.781 55.358 56.100 0.065 0.000 1.120 789 R CB -0.109 30.232 30.300 0.069 0.000 1.333 789 R HN 0.289 nan 8.270 nan 0.000 0.587 790 M N 0.124 119.665 119.600 -0.098 0.000 2.082 790 M HA -0.182 4.298 4.480 -0.000 0.000 0.258 790 M C 0.613 176.733 176.300 -0.299 0.000 1.069 790 M CA 2.040 57.165 55.300 -0.291 0.000 1.102 790 M CB -0.031 32.236 32.600 -0.555 0.000 1.336 790 M HN 0.445 nan 8.290 nan 0.000 0.404 791 Y N -0.245 120.086 120.300 0.051 0.000 2.532 791 Y HA 0.300 4.850 4.550 -0.000 0.000 0.283 791 Y C 0.835 176.784 175.900 0.083 0.000 1.181 791 Y CA -0.513 57.629 58.100 0.070 0.000 1.256 791 Y CB -0.392 38.106 38.460 0.062 0.000 1.112 791 Y HN 0.024 nan 8.280 nan 0.000 0.521 792 S N 0.061 115.875 115.700 0.190 0.000 2.645 792 S HA 0.078 4.548 4.470 -0.000 0.000 0.266 792 S C 0.951 175.697 174.600 0.243 0.000 1.258 792 S CA -0.676 57.645 58.200 0.202 0.000 0.990 792 S CB 0.585 63.933 63.200 0.248 0.000 0.967 792 S HN 0.390 nan 8.310 nan 0.000 0.556 793 F N 1.558 121.587 119.950 0.131 0.000 2.022 793 F HA -0.056 4.471 4.527 -0.000 0.000 0.293 793 F C 1.849 177.815 175.800 0.278 0.000 1.142 793 F CA 1.421 59.513 58.000 0.153 0.000 1.177 793 F CB -0.816 38.215 39.000 0.052 0.000 0.982 793 F HN 0.665 nan 8.300 nan 0.000 0.473 794 F N 1.552 121.395 119.950 -0.179 0.000 2.043 794 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 794 F C 2.838 178.573 175.800 -0.108 0.000 1.121 794 F CA 2.560 60.390 58.000 -0.283 0.000 1.199 794 F CB -0.715 38.226 39.000 -0.099 0.000 0.968 794 F HN 0.061 nan 8.300 nan 0.000 0.478 795 R N 0.501 121.065 120.500 0.106 0.000 2.170 795 R HA -0.191 4.149 4.340 -0.000 0.000 0.242 795 R C 1.342 177.596 176.300 -0.077 0.000 1.145 795 R CA 2.093 58.204 56.100 0.019 0.000 0.984 795 R CB -0.494 29.858 30.300 0.086 0.000 0.869 795 R HN 0.348 nan 8.270 nan 0.000 0.455 796 N N -0.661 118.003 118.700 -0.060 0.000 2.236 796 N HA -0.040 4.700 4.740 -0.000 0.000 0.196 796 N C -0.726 174.781 175.510 -0.005 0.000 1.114 796 N CA -0.017 53.029 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 3.127 122.864 119.950 -0.354 0.000 2.472 797 F HA 0.178 4.705 4.527 -0.000 0.000 0.364 797 F C -0.139 175.524 175.800 -0.228 0.000 1.090 797 F CA -0.186 57.613 58.000 -0.335 0.000 1.188 797 F CB 0.549 39.132 39.000 -0.695 0.000 1.105 797 F HN -0.176 nan 8.300 nan 0.000 0.536 798 Q N 8.616 128.097 119.800 -0.531 0.000 2.490 798 Q HA 0.308 4.648 4.340 -0.000 0.000 0.255 798 Q C -2.702 173.009 176.000 -0.481 0.000 0.997 798 Q CA -1.981 53.537 55.803 -0.474 0.000 0.709 798 Q CB 1.623 30.239 28.738 -0.202 0.000 1.255 798 Q HN 0.413 nan 8.270 nan 0.000 0.486 799 P HA 0.366 nan 4.420 nan 0.000 0.285 799 P C -0.526 176.701 177.300 -0.121 0.000 1.259 799 P CA -0.237 62.669 63.100 -0.324 0.000 0.794 799 P CB 1.007 32.514 31.700 -0.323 0.000 0.940 800 M N 1.120 120.719 119.600 -0.003 0.000 2.572 800 M HA 0.532 5.012 4.480 -0.000 0.000 0.299 800 M C -0.306 176.177 176.300 0.306 0.000 1.205 800 M CA -0.312 55.047 55.300 0.097 0.000 0.876 800 M CB 2.601 35.177 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 -1.499 173.183 174.600 0.137 0.000 1.135 801 S CA -0.937 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 0.782 nan 8.310 nan 0.000 0.468 802 R N 0.765 121.148 120.500 -0.195 0.000 2.728 802 R HA 0.666 5.006 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 0.685 30.429 30.300 -0.928 0.000 1.263 802 R HN 0.417 nan 8.270 nan 0.000 0.475 803 Q N 0.370 119.997 119.800 -0.290 0.000 2.377 803 Q HA 0.681 5.021 4.340 -0.000 0.000 0.271 803 Q C -1.126 174.739 176.000 -0.224 0.000 1.077 803 Q CA -0.753 54.920 55.803 -0.217 0.000 0.820 803 Q CB 2.943 31.594 28.738 -0.145 0.000 1.347 803 Q HN 0.601 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 0.736 4.856 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 1.395 33.133 31.823 -0.142 0.000 1.045 804 V HN 0.587 nan 8.190 nan 0.000 0.432 805 V N 0.056 119.893 119.914 -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 0.296 62.472 62.300 -0.206 0.000 1.161 805 V CB 0.206 31.895 31.823 -0.224 0.000 0.916 805 V HN 1.045 nan 8.190 nan 0.000 0.490 806 D N 3.757 124.034 120.400 -0.205 0.000 2.393 806 D HA 0.068 4.708 4.640 -0.000 0.000 0.232 806 D C 1.113 177.260 176.300 -0.254 0.000 1.192 806 D CA -0.349 53.543 54.000 -0.181 0.000 0.882 806 D CB 0.992 41.726 40.800 -0.111 0.000 1.038 806 D HN 0.783 nan 8.370 nan 0.000 0.499 807 D N 1.594 121.733 120.400 -0.434 0.000 2.265 807 D HA -0.201 4.439 4.640 -0.000 0.000 0.208 807 D C 1.343 177.443 176.300 -0.333 0.000 0.977 807 D CA 0.961 54.503 54.000 -0.764 0.000 0.871 807 D CB -0.312 39.951 40.800 -0.895 0.000 0.925 807 D HN 0.456 nan 8.370 nan 0.000 0.485 808 T N -4.209 110.239 114.554 -0.177 0.000 3.069 808 T HA 0.355 4.705 4.350 -0.000 0.000 0.252 808 T C 1.542 176.216 174.700 -0.044 0.000 1.053 808 T CA 0.751 62.802 62.100 -0.082 0.000 0.964 808 T CB 0.306 69.137 68.868 -0.061 0.000 1.005 808 T HN 0.324 nan 8.240 nan 0.000 0.532 809 K N 0.050 120.429 120.400 -0.035 0.000 2.502 809 K HA 0.333 4.652 4.320 -0.000 0.000 0.211 809 K C 0.229 176.860 176.600 0.051 0.000 1.259 809 K CA -0.235 56.052 56.287 -0.001 0.000 0.983 809 K CB -0.310 32.185 32.500 -0.008 0.000 1.054 809 K HN 0.499 nan 8.250 nan 0.000 0.572 810 Y N 3.255 123.501 120.300 -0.090 0.000 2.585 810 Y HA 0.369 4.919 4.550 -0.000 0.000 0.354 810 Y C 1.681 177.573 175.900 -0.014 0.000 1.024 810 Y CA -0.202 57.853 58.100 -0.075 0.000 1.321 810 Y CB 0.355 38.730 38.460 -0.142 0.000 1.151 810 Y HN 0.331 nan 8.280 nan 0.000 0.525 811 K N 2.984 123.217 120.400 -0.279 0.000 2.077 811 K HA -0.227 4.093 4.320 -0.000 0.000 0.213 811 K C 1.060 177.427 176.600 -0.390 0.000 1.051 811 K CA 2.525 58.645 56.287 -0.278 0.000 0.929 811 K CB -0.726 31.657 32.500 -0.195 0.000 0.715 811 K HN 0.804 nan 8.250 nan 0.000 0.451 812 D N -1.561 118.346 120.400 -0.822 0.000 2.319 812 D HA 0.057 4.697 4.640 -0.000 0.000 0.230 812 D C 0.094 176.201 176.300 -0.322 0.000 1.094 812 D CA -0.390 53.278 54.000 -0.553 0.000 0.856 812 D CB -0.626 39.917 40.800 -0.428 0.000 0.915 812 D HN 0.555 nan 8.370 nan 0.000 0.517 813 Y N 2.353 122.428 120.300 -0.376 0.000 2.904 813 Y HA -0.078 4.472 4.550 -0.000 0.000 0.336 813 Y C 0.073 176.051 175.900 0.129 0.000 1.263 813 Y CA 0.567 58.687 58.100 0.033 0.000 1.547 813 Y CB 0.366 38.863 38.460 0.063 0.000 1.272 813 Y HN -0.169 nan 8.280 nan 0.000 0.596 814 Q N 5.431 124.852 119.800 -0.633 0.000 2.274 814 Q HA 0.134 4.474 4.340 -0.000 0.000 0.268 814 Q C -1.389 174.197 176.000 -0.690 0.000 1.015 814 Q CA -0.736 54.770 55.803 -0.494 0.000 0.775 814 Q CB 1.895 30.579 28.738 -0.089 0.000 1.256 814 Q HN 0.808 nan 8.270 nan 0.000 0.442 815 Q N 2.263 121.749 119.800 -0.523 0.000 2.452 815 Q HA 0.345 4.685 4.340 -0.000 0.000 0.230 815 Q C -1.022 174.966 176.000 -0.020 0.000 1.180 815 Q CA -0.061 55.647 55.803 -0.158 0.000 0.914 815 Q CB 0.259 29.049 28.738 0.087 0.000 1.408 815 Q HN 0.309 nan 8.270 nan 0.000 0.520 816 V N 3.524 123.444 119.914 0.009 0.000 2.370 816 V HA 0.632 4.752 4.120 -0.000 0.000 0.283 816 V C 0.799 176.879 176.094 -0.024 0.000 1.023 816 V CA -0.533 61.772 62.300 0.009 0.000 0.857 816 V CB 1.285 33.093 31.823 -0.026 0.000 0.985 816 V HN 0.789 nan 8.190 nan 0.000 0.443 817 G N 2.589 111.384 108.800 -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 0.864 175.670 174.900 -0.155 0.000 1.237 817 G CA -0.540 44.523 45.100 -0.062 0.000 0.986 817 G HN 0.736 nan 8.290 nan 0.000 0.494 818 I N -0.670 119.805 120.570 -0.158 0.000 2.194 818 I HA -0.203 3.967 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 1.174 62.372 61.300 -0.170 0.000 1.355 818 I CB -0.811 37.117 38.000 -0.120 0.000 1.046 818 I HN 0.336 nan 8.210 nan 0.000 0.413 819 L N -0.140 120.939 121.223 -0.241 0.000 2.197 819 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 819 L C 1.745 178.352 176.870 -0.439 0.000 1.095 819 L CA 1.831 56.450 54.840 -0.369 0.000 0.764 819 L CB -0.793 40.931 42.059 -0.557 0.000 0.897 819 L HN 0.495 nan 8.230 nan 0.000 0.436 820 H N -2.767 116.326 119.070 0.039 0.000 2.923 820 H HA 0.219 4.775 4.556 -0.000 0.000 0.268 820 H C 0.025 175.346 175.328 -0.010 0.000 1.148 820 H CA -0.419 55.653 56.048 0.041 0.000 1.146 820 H CB 0.479 30.247 29.762 0.011 0.000 1.607 820 H HN 0.299 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 -0.354 175.659 176.000 0.021 0.000 0.915 821 Q CA -0.541 55.169 55.803 -0.155 0.000 0.915 821 Q CB 1.082 29.537 28.738 -0.473 0.000 1.204 821 Q HN 0.513 nan 8.270 nan 0.000 0.421 822 H N 0.980 120.081 119.070 0.052 0.000 2.744 822 H HA 0.529 5.085 4.556 -0.000 0.000 0.339 822 H C -1.433 173.956 175.328 0.101 0.000 1.004 822 H CA -0.902 55.200 56.048 0.091 0.000 1.257 822 H CB 1.310 31.117 29.762 0.076 0.000 1.552 822 H HN 0.488 nan 8.280 nan 0.000 0.522 823 N N 3.559 122.407 118.700 0.247 0.000 2.616 823 N HA 0.096 4.836 4.740 -0.000 0.000 0.281 823 N C -0.567 175.121 175.510 0.297 0.000 1.145 823 N CA -0.244 52.923 53.050 0.195 0.000 0.919 823 N CB 0.866 39.339 38.487 -0.023 0.000 1.509 823 N HN 0.862 nan 8.380 nan 0.000 0.537 824 N N -0.142 118.736 118.700 0.297 0.000 3.003 824 N HA -0.153 4.587 4.740 -0.000 0.000 0.237 824 N C -0.576 175.177 175.510 0.405 0.000 0.969 824 N CA 1.070 54.337 53.050 0.362 0.000 0.941 824 N CB -1.448 37.217 38.487 0.297 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 0.295 0.000 2.558 825 S HA 0.364 4.834 4.470 -0.000 0.000 0.293 825 S C 1.622 176.216 174.600 -0.010 0.000 1.292 825 S CA 1.232 59.517 58.200 0.142 0.000 1.063 825 S CB 1.294 64.543 63.200 0.081 0.000 0.831 825 S HN 1.189 nan 8.310 nan 0.000 0.499 826 G N 2.253 110.947 108.800 -0.177 0.000 2.225 826 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 826 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 826 G C 0.191 174.653 174.900 -0.730 0.000 0.988 826 G CA 0.402 45.201 45.100 -0.503 0.000 0.625 826 G HN 0.865 nan 8.290 nan 0.000 0.527 827 F N -0.434 119.530 119.950 0.023 0.000 2.746 827 F HA 0.658 5.185 4.527 -0.000 0.000 0.320 827 F C 0.815 176.618 175.800 0.005 0.000 1.097 827 F CA -0.242 57.766 58.000 0.015 0.000 1.195 827 F CB 1.132 40.148 39.000 0.026 0.000 1.056 827 F HN 0.168 nan 8.300 nan 0.000 0.562 828 V N -0.402 119.592 119.914 0.133 0.000 3.040 828 V HA 0.767 4.887 4.120 -0.000 0.000 0.312 828 V C 0.257 176.368 176.094 0.029 0.000 1.115 828 V CA -1.086 61.259 62.300 0.075 0.000 0.998 828 V CB 1.922 33.808 31.823 0.106 0.000 1.042 828 V HN 0.115 nan 8.190 nan 0.000 0.433 829 G N 0.779 109.572 108.800 -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 -1.258 173.679 174.900 0.061 0.000 1.216 829 G CA 0.009 45.101 45.100 -0.014 0.000 0.845 829 G HN 0.650 nan 8.290 nan 0.000 0.568 830 Y N 1.417 121.681 120.300 -0.061 0.000 2.383 830 Y HA 0.373 4.923 4.550 -0.000 0.000 0.344 830 Y C 1.041 176.934 175.900 -0.013 0.000 0.986 830 Y CA -1.006 57.072 58.100 -0.037 0.000 1.175 830 Y CB 0.375 38.804 38.460 -0.052 0.000 1.152 830 Y HN 0.523 nan 8.280 nan 0.000 0.511 831 L N 4.052 125.013 121.223 -0.437 0.000 3.976 831 L HA -0.310 4.030 4.340 -0.000 0.000 0.418 831 L C -0.119 176.721 176.870 -0.050 0.000 1.177 831 L CA 0.964 55.592 54.840 -0.354 0.000 0.968 831 L CB -1.949 39.716 42.059 -0.658 0.000 1.933 831 L HN 0.793 nan 8.230 nan 0.000 0.976 832 A N -1.915 120.874 122.820 -0.052 0.000 2.567 832 A HA 0.721 5.041 4.320 -0.000 0.000 0.291 832 A C -2.592 174.917 177.584 -0.124 0.000 1.048 832 A CA -0.640 51.378 52.037 -0.032 0.000 0.661 832 A CB 0.932 19.948 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 0.492 177.667 177.300 -0.208 0.000 1.668 833 P CA 0.546 63.453 63.100 -0.320 0.000 0.898 833 P CB -0.671 30.788 31.700 -0.401 0.000 1.637 834 T N -4.041 110.422 114.554 -0.151 0.000 2.902 834 T HA 0.403 4.753 4.350 -0.000 0.000 0.287 834 T C 0.607 175.221 174.700 -0.143 0.000 1.048 834 T CA -1.024 60.989 62.100 -0.145 0.000 0.941 834 T CB 0.367 69.144 68.868 -0.153 0.000 1.432 834 T HN -0.035 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 0.184 4.664 4.480 -0.000 0.000 0.329 835 M C 0.278 176.511 176.300 -0.112 0.000 1.101 835 M CA -0.587 54.631 55.300 -0.137 0.000 1.117 835 M CB 0.484 32.987 32.600 -0.162 0.000 1.563 835 M HN 0.752 nan 8.290 nan 0.000 0.445 836 R N 2.936 123.388 120.500 -0.081 0.000 2.734 836 R HA 0.281 4.621 4.340 -0.000 0.000 0.266 836 R C -1.008 175.235 176.300 -0.096 0.000 1.044 836 R CA 0.030 56.090 56.100 -0.066 0.000 1.128 836 R CB -0.005 30.271 30.300 -0.039 0.000 1.010 836 R HN 0.738 nan 8.270 nan 0.000 0.461 837 E N -0.571 119.570 120.200 -0.099 0.000 2.439 837 E HA 0.602 4.952 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 0.812 30.449 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 -1.153 173.622 174.900 -0.208 0.000 1.314 838 G CA 0.022 45.011 45.100 -0.185 0.000 0.906 838 G HN 0.950 nan 8.290 nan 0.000 0.563 839 Q N -1.417 118.261 119.800 -0.203 0.000 2.482 839 Q HA 0.760 5.100 4.340 -0.000 0.000 0.286 839 Q C -0.146 175.790 176.000 -0.107 0.000 1.007 839 Q CA -0.446 55.246 55.803 -0.185 0.000 0.801 839 Q CB 1.566 30.236 28.738 -0.114 0.000 1.455 839 Q HN 2.277 nan 8.270 nan 0.000 0.398 840 A N 1.299 124.072 122.820 -0.078 0.000 2.555 840 A HA 0.398 4.718 4.320 -0.000 0.000 0.233 840 A C -1.097 176.644 177.584 0.261 0.000 1.060 840 A CA 0.708 52.831 52.037 0.142 0.000 0.759 840 A CB -0.057 19.073 19.000 0.217 0.000 0.995 840 A HN 0.645 nan 8.150 nan 0.000 0.506 841 Y N 0.373 120.726 120.300 0.089 0.000 2.554 841 Y HA 0.337 4.887 4.550 -0.000 0.000 0.338 841 Y C -2.453 173.519 175.900 0.120 0.000 1.247 841 Y CA -1.259 56.875 58.100 0.056 0.000 1.255 841 Y CB 1.315 39.746 38.460 -0.048 0.000 1.346 841 Y HN 0.635 nan 8.280 nan 0.000 0.481 842 P HA 0.238 nan 4.420 nan 0.000 0.261 842 P C -0.629 176.809 177.300 0.230 0.000 1.183 842 P CA 0.335 63.456 63.100 0.035 0.000 0.761 842 P CB 0.366 32.019 31.700 -0.078 0.000 0.785 843 A N 3.551 126.458 122.820 0.145 0.000 2.466 843 A HA 0.112 4.432 4.320 -0.000 0.000 0.238 843 A C 1.171 178.744 177.584 -0.019 0.000 1.074 843 A CA -0.139 51.957 52.037 0.099 0.000 0.774 843 A CB -0.104 18.892 19.000 -0.006 0.000 1.015 843 A HN 0.704 nan 8.150 nan 0.000 0.498 844 N N -0.067 118.514 118.700 -0.200 0.000 2.177 844 N HA 0.250 4.990 4.740 -0.000 0.000 0.218 844 N C -0.668 174.730 175.510 -0.186 0.000 1.182 844 N CA -0.075 52.832 53.050 -0.240 0.000 0.882 844 N CB 0.312 38.523 38.487 -0.460 0.000 1.052 844 N HN 0.486 nan 8.380 nan 0.000 0.519 845 F N 0.352 120.072 119.950 -0.382 0.000 2.708 845 F HA 0.574 5.101 4.527 -0.000 0.000 0.309 845 F C -2.988 172.527 175.800 -0.474 0.000 1.120 845 F CA -1.352 56.401 58.000 -0.412 0.000 0.978 845 F CB 1.604 40.403 39.000 -0.334 0.000 1.283 845 F HN -0.226 nan 8.300 nan 0.000 0.439 846 P HA 0.285 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 -0.212 62.015 63.100 -1.455 0.000 0.800 846 P CB 0.739 31.749 31.700 -1.150 0.000 1.188 847 Y N -0.073 119.955 120.300 -0.453 0.000 2.425 847 Y HA 0.217 4.767 4.550 -0.000 0.000 0.331 847 Y C -1.366 174.395 175.900 -0.233 0.000 1.157 847 Y CA -1.413 56.537 58.100 -0.251 0.000 1.372 847 Y CB -0.868 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 -0.050 177.203 177.300 -0.078 0.000 1.253 848 P CA 0.126 63.197 63.100 -0.047 0.000 0.766 848 P CB 0.744 32.426 31.700 -0.030 0.000 0.845 849 L N 2.898 124.073 121.223 -0.079 0.000 2.640 849 L HA 0.250 4.590 4.340 -0.000 0.000 0.230 849 L C 1.069 177.895 176.870 -0.073 0.000 1.123 849 L CA 0.117 54.901 54.840 -0.093 0.000 0.900 849 L CB -0.179 41.825 42.059 -0.092 0.000 1.146 849 L HN 0.391 nan 8.230 nan 0.000 0.484 850 I N -4.013 116.524 120.570 -0.056 0.000 3.206 850 I HA 0.952 5.122 4.170 -0.000 0.000 0.313 850 I C 0.353 176.449 176.117 -0.034 0.000 1.103 850 I CA -0.694 60.582 61.300 -0.041 0.000 0.985 850 I CB 1.700 39.680 38.000 -0.032 0.000 1.240 850 I HN -0.027 nan 8.210 nan 0.000 0.464 851 G N 2.090 110.874 108.800 -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 -0.056 174.834 174.900 -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 -0.866 119.529 120.400 -0.008 0.000 2.504 852 K HA 0.087 4.407 4.320 -0.000 0.000 0.195 852 K C 1.853 178.454 176.600 0.002 0.000 1.036 852 K CA 1.355 57.640 56.287 -0.003 0.000 0.984 852 K CB 0.090 32.590 32.500 0.001 0.000 0.788 852 K HN 0.368 nan 8.250 nan 0.000 0.488 853 T N 0.589 115.143 114.554 0.001 0.000 3.044 853 T HA 0.216 4.566 4.350 -0.000 0.000 0.260 853 T C 0.163 174.857 174.700 -0.011 0.000 1.019 853 T CA -0.244 61.863 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 1.934 124.731 122.820 -0.038 0.000 2.609 854 A HA 0.329 4.649 4.320 -0.000 0.000 0.232 854 A C 0.769 178.269 177.584 -0.139 0.000 1.041 854 A CA -0.072 51.915 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 0.782 120.524 119.914 -0.286 0.000 2.953 855 V HA 0.309 4.429 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 -1.169 60.807 62.300 -0.540 0.000 1.064 855 V CB 0.729 31.841 31.823 -1.184 0.000 1.047 855 V HN 0.791 nan 8.190 nan 0.000 0.478 856 D N 2.722 122.985 120.400 -0.228 0.000 2.487 856 D HA 0.211 4.851 4.640 -0.000 0.000 0.243 856 D C 0.454 176.658 176.300 -0.159 0.000 1.154 856 D CA 0.681 54.618 54.000 -0.105 0.000 0.876 856 D CB 1.039 41.842 40.800 0.004 0.000 1.161 856 D HN 0.958 nan 8.370 nan 0.000 0.478 857 S N 1.668 117.293 115.700 -0.125 0.000 2.726 857 S HA 0.740 5.210 4.470 -0.000 0.000 0.308 857 S C -0.481 174.058 174.600 -0.101 0.000 1.115 857 S CA -0.873 57.248 58.200 -0.131 0.000 0.965 857 S CB 2.046 65.168 63.200 -0.131 0.000 1.145 857 S HN 0.299 nan 8.310 nan 0.000 0.532 858 I N 0.521 121.027 120.570 -0.107 0.000 2.647 858 I HA 0.493 4.663 4.170 -0.000 0.000 0.295 858 I C -0.450 175.610 176.117 -0.095 0.000 1.078 858 I CA -0.071 61.177 61.300 -0.088 0.000 1.048 858 I CB 2.388 40.337 38.000 -0.086 0.000 1.239 858 I HN 0.872 nan 8.210 nan 0.000 0.421 859 T N 5.791 120.304 114.554 -0.069 0.000 2.837 859 T HA 0.539 4.889 4.350 -0.000 0.000 0.285 859 T C -0.630 174.043 174.700 -0.046 0.000 0.984 859 T CA -0.558 61.501 62.100 -0.067 0.000 1.049 859 T CB 0.858 69.703 68.868 -0.037 0.000 0.947 859 T HN 0.431 nan 8.240 nan 0.000 0.472 860 Q N 1.987 121.746 119.800 -0.069 0.000 2.321 860 Q HA 0.487 4.827 4.340 -0.000 0.000 0.270 860 Q C -0.975 175.122 176.000 0.161 0.000 1.032 860 Q CA -0.872 54.939 55.803 0.014 0.000 0.784 860 Q CB 2.346 31.051 28.738 -0.056 0.000 1.264 860 Q HN 0.506 nan 8.270 nan 0.000 0.448 861 K N 2.175 122.718 120.400 0.237 0.000 2.371 861 K HA 0.638 4.958 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 55.554 56.287 0.282 0.000 0.798 861 K CB 2.338 34.953 32.500 0.193 0.000 1.204 861 K HN 0.560 nan 8.250 nan 0.000 0.427 862 K N 0.468 121.003 120.400 0.224 0.000 2.491 862 K HA 0.596 4.916 4.320 -0.000 0.000 0.275 862 K C -1.495 175.203 176.600 0.163 0.000 0.982 862 K CA -0.994 55.359 56.287 0.109 0.000 0.794 862 K CB 1.221 33.663 32.500 -0.096 0.000 1.488 862 K HN 0.528 nan 8.250 nan 0.000 0.360 863 F N -1.333 118.607 119.950 -0.016 0.000 2.744 863 F HA 0.649 5.176 4.527 -0.000 0.000 0.311 863 F C -2.377 173.420 175.800 -0.005 0.000 1.144 863 F CA -1.240 56.740 58.000 -0.033 0.000 0.938 863 F CB 0.872 39.936 39.000 0.107 0.000 1.292 863 F HN 0.313 nan 8.300 nan 0.000 0.444 864 L N 2.020 123.342 121.223 0.165 0.000 2.333 864 L HA 0.713 5.053 4.340 -0.000 0.000 0.269 864 L C -0.633 176.495 176.870 0.431 0.000 1.010 864 L CA -0.835 54.079 54.840 0.123 0.000 0.818 864 L CB 1.800 43.825 42.059 -0.056 0.000 1.306 864 L HN 1.030 nan 8.230 nan 0.000 0.430 865 C N 2.038 121.600 119.300 0.437 0.000 3.173 865 C HA 0.292 4.752 4.460 -0.000 0.000 0.209 865 C C -0.436 174.708 174.990 0.255 0.000 1.229 865 C CA -0.848 58.406 59.018 0.394 0.000 1.109 865 C CB -1.017 27.067 27.740 0.572 0.000 1.833 865 C HN 0.785 nan 8.230 nan 0.000 0.626 866 D N 1.549 122.123 120.400 0.291 0.000 2.354 866 D HA 0.103 4.743 4.640 -0.000 0.000 0.238 866 D C 1.042 177.551 176.300 0.350 0.000 1.250 866 D CA 0.372 54.595 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 0.711 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 -0.916 175.659 176.300 0.459 0.000 0.981 867 R CA 0.978 57.358 56.100 0.466 0.000 0.662 867 R CB -2.373 28.179 30.300 0.420 0.000 1.037 867 R HN 0.384 nan 8.270 nan 0.000 0.460 868 T N -0.174 114.581 114.554 0.335 0.000 2.816 868 T HA 0.684 5.034 4.350 -0.000 0.000 0.299 868 T C -1.061 173.575 174.700 -0.105 0.000 1.230 868 T CA -0.808 61.391 62.100 0.165 0.000 1.007 868 T CB 1.303 70.231 68.868 0.100 0.000 1.289 868 T HN 0.271 nan 8.240 nan 0.000 0.508 869 L N 1.837 122.933 121.223 -0.212 0.000 2.346 869 L HA 0.557 4.897 4.340 -0.000 0.000 0.276 869 L C -0.585 176.042 176.870 -0.404 0.000 1.006 869 L CA -0.926 53.649 54.840 -0.442 0.000 0.817 869 L CB 1.673 43.498 42.059 -0.390 0.000 1.272 869 L HN 0.702 nan 8.230 nan 0.000 0.421 870 W N 2.837 123.792 121.300 -0.576 0.000 2.181 870 W HA 0.326 4.986 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 56.479 57.345 -0.649 0.000 1.226 870 W CB 0.607 29.348 29.460 -1.198 0.000 1.155 870 W HN 0.302 nan 8.180 nan 0.000 0.565 871 R N 3.249 123.643 120.500 -0.177 0.000 2.686 871 R HA 0.589 4.929 4.340 -0.000 0.000 0.286 871 R C -0.935 175.241 176.300 -0.206 0.000 0.969 871 R CA -0.950 55.034 56.100 -0.193 0.000 0.898 871 R CB 1.851 32.019 30.300 -0.221 0.000 1.183 871 R HN 0.425 nan 8.270 nan 0.000 0.456 872 I N 3.667 124.242 120.570 0.008 0.000 2.583 872 I HA 0.272 4.442 4.170 -0.000 0.000 0.276 872 I C -2.433 173.893 176.117 0.348 0.000 1.089 872 I CA -2.193 59.180 61.300 0.123 0.000 1.103 872 I CB 1.870 39.936 38.000 0.109 0.000 1.209 872 I HN 0.238 nan 8.210 nan 0.000 0.484 873 P HA 0.077 nan 4.420 nan 0.000 0.275 873 P C -0.335 177.226 177.300 0.434 0.000 1.227 873 P CA -0.217 63.022 63.100 0.231 0.000 0.781 873 P CB 0.660 32.459 31.700 0.166 0.000 0.906 874 F N 2.311 122.213 119.950 -0.080 0.000 2.669 874 F HA 0.294 4.821 4.527 -0.000 0.000 0.353 874 F C 0.396 176.226 175.800 0.049 0.000 1.192 874 F CA -0.150 57.788 58.000 -0.104 0.000 1.317 874 F CB -0.562 38.125 39.000 -0.522 0.000 1.652 874 F HN 0.088 nan 8.300 nan 0.000 0.608 875 S N 0.266 116.043 115.700 0.129 0.000 2.521 875 S HA 0.325 4.795 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 -0.043 58.153 58.200 -0.007 0.000 0.999 875 S CB 1.271 64.492 63.200 0.036 0.000 1.034 875 S HN 0.475 nan 8.310 nan 0.000 0.483 876 S N 3.556 119.168 115.700 -0.146 0.000 2.407 876 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 876 S C 0.964 175.367 174.600 -0.330 0.000 1.036 876 S CA 1.903 59.975 58.200 -0.212 0.000 1.013 876 S CB -0.732 62.379 63.200 -0.148 0.000 0.820 876 S HN 0.912 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 0.220 4.960 4.740 -0.000 0.000 0.235 877 N C -0.013 175.524 175.510 0.045 0.000 1.209 877 N CA -0.363 52.602 53.050 -0.142 0.000 0.879 877 N CB -0.678 37.794 38.487 -0.025 0.000 1.136 877 N HN 0.278 nan 8.380 nan 0.000 0.517 878 F N -1.370 118.645 119.950 0.108 0.000 2.825 878 F HA -0.294 4.233 4.527 -0.000 0.000 0.358 878 F C 0.452 176.266 175.800 0.024 0.000 0.639 878 F CA 0.617 58.665 58.000 0.079 0.000 1.153 878 F CB -2.047 36.975 39.000 0.037 0.000 1.610 878 F HN 0.121 nan 8.300 nan 0.000 0.305 879 M N -0.274 119.430 119.600 0.175 0.000 2.283 879 M HA 0.371 4.851 4.480 -0.000 0.000 0.314 879 M C 0.683 177.014 176.300 0.051 0.000 1.153 879 M CA -0.100 55.262 55.300 0.102 0.000 1.084 879 M CB 0.805 33.475 32.600 0.118 0.000 1.468 879 M HN -0.060 nan 8.290 nan 0.000 0.474 880 S N 2.041 117.754 115.700 0.022 0.000 2.399 880 S HA 0.402 4.872 4.470 -0.000 0.000 0.301 880 S C 0.223 174.831 174.600 0.013 0.000 1.093 880 S CA -0.451 57.750 58.200 0.002 0.000 1.077 880 S CB 0.173 63.361 63.200 -0.021 0.000 0.980 880 S HN 0.650 nan 8.310 nan 0.000 0.494 881 M N 2.267 121.874 119.600 0.012 0.000 2.416 881 M HA 0.329 4.809 4.480 -0.000 0.000 0.337 881 M C 0.605 176.914 176.300 0.015 0.000 1.074 881 M CA -0.193 55.115 55.300 0.014 0.000 0.968 881 M CB 0.913 33.520 32.600 0.010 0.000 1.472 881 M HN 0.815 nan 8.290 nan 0.000 0.539 882 G N -0.189 108.620 108.800 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 0.093 175.016 174.900 0.037 0.000 1.603 882 G CA -0.509 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 0.284 123.139 122.820 0.058 0.000 1.892 883 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 883 A C 1.652 179.377 177.584 0.236 0.000 1.188 883 A CA 2.194 54.280 52.037 0.082 0.000 0.631 883 A CB -0.296 18.787 19.000 0.139 0.000 0.822 883 A HN 1.811 nan 8.150 nan 0.000 0.447 884 L N 2.108 123.502 121.223 0.286 0.000 2.334 884 L HA 0.311 4.651 4.340 -0.000 0.000 0.286 884 L C 0.862 177.808 176.870 0.127 0.000 1.108 884 L CA 0.277 55.275 54.840 0.263 0.000 0.875 884 L CB -0.304 41.800 42.059 0.075 0.000 1.246 884 L HN 0.409 nan 8.230 nan 0.000 0.439 885 T N -0.030 114.595 114.554 0.118 0.000 2.795 885 T HA 0.041 4.391 4.350 -0.000 0.000 0.314 885 T C 1.125 175.847 174.700 0.037 0.000 1.069 885 T CA 0.251 62.383 62.100 0.053 0.000 1.071 885 T CB 0.545 69.430 68.868 0.029 0.000 0.988 885 T HN 0.710 nan 8.240 nan 0.000 0.543 886 D N 1.507 121.905 120.400 -0.004 0.000 2.117 886 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 886 D C 2.076 178.365 176.300 -0.019 0.000 0.982 886 D CA 1.186 55.178 54.000 -0.012 0.000 0.828 886 D CB -0.579 40.203 40.800 -0.030 0.000 0.967 886 D HN 0.568 nan 8.370 nan 0.000 0.464 887 L N 0.366 121.524 121.223 -0.108 0.000 2.072 887 L HA 0.074 4.414 4.340 -0.000 0.000 0.205 887 L C 2.707 179.592 176.870 0.024 0.000 1.079 887 L CA 1.306 56.020 54.840 -0.210 0.000 0.752 887 L CB -0.822 40.696 42.059 -0.902 0.000 0.906 887 L HN 0.213 nan 8.230 nan 0.000 0.436 888 G N -0.191 108.690 108.800 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 1.343 176.373 174.900 0.216 0.000 1.114 888 G CA 0.689 45.958 45.100 0.283 0.000 0.757 888 G HN 0.601 nan 8.290 nan 0.000 0.559 889 Q N -0.222 119.666 119.800 0.148 0.000 2.194 889 Q HA 0.135 4.475 4.340 -0.000 0.000 0.214 889 Q C 0.268 176.340 176.000 0.120 0.000 0.838 889 Q CA -0.599 55.273 55.803 0.115 0.000 0.972 889 Q CB -0.034 28.741 28.738 0.062 0.000 1.131 889 Q HN 0.245 nan 8.270 nan 0.000 0.498 890 N N 1.628 120.432 118.700 0.174 0.000 2.492 890 N HA 0.017 4.757 4.740 -0.000 0.000 0.262 890 N C 1.012 176.604 175.510 0.136 0.000 1.202 890 N CA 0.082 53.226 53.050 0.157 0.000 0.926 890 N CB 0.891 39.514 38.487 0.225 0.000 1.078 890 N HN 0.333 nan 8.380 nan 0.000 0.454 891 L N 3.057 124.317 121.223 0.062 0.000 2.081 891 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 891 L C 2.198 179.077 176.870 0.015 0.000 1.080 891 L CA 1.148 56.013 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 -1.843 119.336 121.223 -0.074 0.000 2.265 892 L HA -0.204 4.136 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 1.754 56.460 54.840 -0.223 0.000 0.782 892 L CB -0.716 41.112 42.059 -0.384 0.000 0.914 892 L HN 0.096 nan 8.230 nan 0.000 0.441 893 Y N -0.827 119.513 120.300 0.067 0.000 2.462 893 Y HA 0.464 5.014 4.550 -0.000 0.000 0.261 893 Y C 2.247 178.258 175.900 0.185 0.000 1.146 893 Y CA 0.305 58.470 58.100 0.108 0.000 1.283 893 Y CB -0.177 38.356 38.460 0.122 0.000 1.090 893 Y HN 0.283 nan 8.280 nan 0.000 0.526 894 A N -0.137 122.819 122.820 0.228 0.000 1.963 894 A HA 0.030 4.350 4.320 -0.000 0.000 0.207 894 A C 1.598 179.252 177.584 0.115 0.000 1.243 894 A CA 0.539 52.674 52.037 0.165 0.000 0.728 894 A CB -0.258 18.815 19.000 0.121 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 -0.004 4.736 4.740 -0.000 0.000 0.187 895 N C 0.096 175.637 175.510 0.052 0.000 1.107 895 N CA 1.023 54.106 53.050 0.055 0.000 0.918 895 N CB -0.055 38.451 38.487 0.032 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 0.733 5.203 4.470 -0.000 0.000 0.269 896 S C -1.171 173.490 174.600 0.101 0.000 1.154 896 S CA -1.070 57.153 58.200 0.038 0.000 0.824 896 S CB 1.477 64.637 63.200 -0.068 0.000 1.118 896 S HN 0.083 nan 8.310 nan 0.000 0.462 897 A N 1.404 124.213 122.820 -0.018 0.000 2.304 897 A HA 0.774 5.094 4.320 -0.000 0.000 0.301 897 A C -0.297 177.230 177.584 -0.096 0.000 1.132 897 A CA -0.448 51.635 52.037 0.076 0.000 0.819 897 A CB 0.272 19.288 19.000 0.027 0.000 1.094 897 A HN 0.835 nan 8.150 nan 0.000 0.492 898 H N -0.278 119.026 119.070 0.389 0.000 2.895 898 H HA 0.611 5.167 4.556 -0.000 0.000 0.373 898 H C -0.258 175.375 175.328 0.509 0.000 1.174 898 H CA -0.216 56.071 56.048 0.399 0.000 1.144 898 H CB 2.225 32.205 29.762 0.363 0.000 1.793 898 H HN 0.875 nan 8.280 nan 0.000 0.551 899 A N 1.874 124.964 122.820 0.449 0.000 2.306 899 A HA 0.571 4.891 4.320 -0.000 0.000 0.330 899 A C -0.993 176.728 177.584 0.228 0.000 1.146 899 A CA -0.537 51.694 52.037 0.324 0.000 0.827 899 A CB 1.022 20.133 19.000 0.185 0.000 1.178 899 A HN 0.440 nan 8.150 nan 0.000 0.490 900 L N 1.192 122.497 121.223 0.137 0.000 2.408 900 L HA 0.622 4.962 4.340 -0.000 0.000 0.268 900 L C -1.607 175.225 176.870 -0.062 0.000 0.986 900 L CA -0.194 54.557 54.840 -0.149 0.000 0.820 900 L CB 2.188 44.037 42.059 -0.349 0.000 1.303 900 L HN 0.673 nan 8.230 nan 0.000 0.411 901 D N 6.359 126.671 120.400 -0.148 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 2.323 43.091 40.800 -0.053 0.000 1.317 901 D HN 0.496 nan 8.370 nan 0.000 0.497 902 M N 0.986 120.497 119.600 -0.148 0.000 2.464 902 M HA 0.332 4.812 4.480 -0.000 0.000 0.308 902 M C -0.840 175.325 176.300 -0.224 0.000 1.127 902 M CA -0.567 54.572 55.300 -0.267 0.000 0.913 902 M CB 2.662 35.104 32.600 -0.263 0.000 1.689 902 M HN 0.072 nan 8.290 nan 0.000 0.445 903 T N 2.771 117.115 114.554 -0.350 0.000 2.906 903 T HA 0.584 4.934 4.350 -0.000 0.000 0.302 903 T C -1.025 173.472 174.700 -0.337 0.000 1.002 903 T CA -0.389 61.580 62.100 -0.219 0.000 0.988 903 T CB 0.479 69.268 68.868 -0.130 0.000 0.972 903 T HN 0.269 nan 8.240 nan 0.000 0.447 904 F N 1.711 121.582 119.950 -0.132 0.000 2.422 904 F HA 0.494 5.021 4.527 -0.000 0.000 0.333 904 F C 0.914 176.676 175.800 -0.064 0.000 1.095 904 F CA -0.909 57.031 58.000 -0.100 0.000 1.038 904 F CB 1.361 40.321 39.000 -0.067 0.000 1.156 904 F HN 0.410 nan 8.300 nan 0.000 0.483 905 E N 2.666 122.945 120.200 0.130 0.000 2.185 905 E HA 0.552 4.902 4.350 -0.000 0.000 0.261 905 E C -1.363 175.254 176.600 0.029 0.000 0.879 905 E CA -0.621 55.809 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 0.538 4.658 4.120 -0.000 0.000 0.314 906 V C -0.340 175.689 176.094 -0.108 0.000 1.117 906 V CA -1.061 61.144 62.300 -0.159 0.000 1.014 906 V CB 1.989 33.607 31.823 -0.342 0.000 1.057 906 V HN 0.454 nan 8.190 nan 0.000 0.438 907 D N 2.615 122.942 120.400 -0.122 0.000 2.372 907 D HA 0.394 5.034 4.640 -0.000 0.000 0.243 907 D C -2.511 173.747 176.300 -0.070 0.000 1.121 907 D CA -0.822 53.138 54.000 -0.067 0.000 0.898 907 D CB 1.158 41.930 40.800 -0.047 0.000 1.202 907 D HN 0.578 nan 8.370 nan 0.000 0.428 908 P HA 0.232 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 -0.191 62.893 63.100 -0.026 0.000 0.789 908 P CB 0.731 32.426 31.700 -0.007 0.000 0.933 909 M N 1.929 121.519 119.600 -0.018 0.000 2.395 909 M HA 0.190 4.670 4.480 -0.000 0.000 0.307 909 M C 0.246 176.551 176.300 0.007 0.000 1.091 909 M CA -0.652 54.648 55.300 -0.001 0.000 0.919 909 M CB 2.068 34.660 32.600 -0.014 0.000 1.662 909 M HN 0.246 nan 8.290 nan 0.000 0.440 910 D N 0.662 121.076 120.400 0.023 0.000 2.355 910 D HA -0.040 4.600 4.640 -0.000 0.000 0.253 910 D C -0.222 176.087 176.300 0.015 0.000 1.187 910 D CA 0.261 54.274 54.000 0.022 0.000 0.900 910 D CB -0.118 40.702 40.800 0.033 0.000 0.915 910 D HN 0.683 nan 8.370 nan 0.000 0.516 911 E N -1.451 118.755 120.200 0.009 0.000 2.390 911 E HA 0.452 4.802 4.350 -0.000 0.000 0.277 911 E C -3.180 173.417 176.600 -0.005 0.000 0.939 911 E CA -2.557 53.846 56.400 0.004 0.000 0.769 911 E CB 1.527 31.234 29.700 0.011 0.000 1.251 911 E HN -0.232 nan 8.360 nan 0.000 0.450 912 P HA 0.045 nan 4.420 nan 0.000 0.267 912 P C -0.439 176.853 177.300 -0.015 0.000 1.205 912 P CA 0.282 63.374 63.100 -0.013 0.000 0.765 912 P CB 0.767 32.457 31.700 -0.017 0.000 0.828 913 T N 0.744 115.288 114.554 -0.017 0.000 2.742 913 T HA 0.800 5.150 4.350 -0.000 0.000 0.282 913 T C -0.680 174.016 174.700 -0.008 0.000 1.025 913 T CA -0.887 61.201 62.100 -0.019 0.000 1.020 913 T CB 0.907 69.751 68.868 -0.040 0.000 1.317 913 T HN 0.150 nan 8.240 nan 0.000 0.538 914 L N 0.638 121.865 121.223 0.006 0.000 2.422 914 L HA 0.621 4.961 4.340 -0.000 0.000 0.264 914 L C -1.311 175.607 176.870 0.081 0.000 0.984 914 L CA -1.243 53.619 54.840 0.038 0.000 0.819 914 L CB 2.261 44.334 42.059 0.022 0.000 1.330 914 L HN 0.654 nan 8.230 nan 0.000 0.410 915 L N 2.851 124.142 121.223 0.112 0.000 2.255 915 L HA 0.393 4.733 4.340 -0.000 0.000 0.289 915 L C -1.103 175.926 176.870 0.265 0.000 1.046 915 L CA -0.097 54.816 54.840 0.122 0.000 0.816 915 L CB 0.562 42.584 42.059 -0.062 0.000 1.197 915 L HN 0.432 nan 8.230 nan 0.000 0.427 916 Y N 6.058 126.430 120.300 0.121 0.000 2.404 916 Y HA 0.566 5.116 4.550 -0.000 0.000 0.344 916 Y C -1.055 174.924 175.900 0.132 0.000 0.970 916 Y CA -1.286 56.898 58.100 0.139 0.000 1.180 916 Y CB 0.867 39.413 38.460 0.143 0.000 1.138 916 Y HN 0.358 nan 8.280 nan 0.000 0.510 917 V N 7.668 127.784 119.914 0.337 0.000 2.417 917 V HA 0.363 4.483 4.120 -0.000 0.000 0.291 917 V C -0.248 175.860 176.094 0.023 0.000 1.024 917 V CA -1.003 61.352 62.300 0.092 0.000 0.861 917 V CB 1.624 33.528 31.823 0.135 0.000 0.985 917 V HN 0.576 nan 8.190 nan 0.000 0.436 918 L N 4.933 126.043 121.223 -0.188 0.000 2.265 918 L HA 0.528 4.868 4.340 -0.000 0.000 0.289 918 L C -0.895 175.878 176.870 -0.162 0.000 1.033 918 L CA -0.089 54.669 54.840 -0.135 0.000 0.814 918 L CB 1.116 43.035 42.059 -0.232 0.000 1.203 918 L HN 0.523 nan 8.230 nan 0.000 0.423 919 F N 1.838 121.755 119.950 -0.055 0.000 2.335 919 F HA 0.224 4.751 4.527 -0.000 0.000 0.365 919 F C 0.974 176.694 175.800 -0.133 0.000 1.122 919 F CA -0.599 57.361 58.000 -0.068 0.000 1.151 919 F CB 0.676 39.463 39.000 -0.354 0.000 1.282 919 F HN 0.446 nan 8.300 nan 0.000 0.513 920 E N 3.587 123.718 120.200 -0.115 0.000 2.351 920 E HA 0.344 4.694 4.350 -0.000 0.000 0.266 920 E C -0.053 176.417 176.600 -0.217 0.000 1.031 920 E CA -0.216 56.029 56.400 -0.259 0.000 0.911 920 E CB 0.886 30.352 29.700 -0.392 0.000 0.986 920 E HN 0.485 nan 8.360 nan 0.000 0.446 921 V N -0.082 119.716 119.914 -0.194 0.000 3.065 921 V HA 0.562 4.682 4.120 -0.000 0.000 0.312 921 V C -1.344 174.565 176.094 -0.310 0.000 1.412 921 V CA -1.157 61.087 62.300 -0.093 0.000 1.039 921 V CB 1.090 32.982 31.823 0.116 0.000 1.077 921 V HN 0.413 nan 8.190 nan 0.000 0.473 922 F N 1.204 121.149 119.950 -0.008 0.000 2.411 922 F HA 0.695 5.222 4.527 -0.000 0.000 0.352 922 F C -0.063 175.729 175.800 -0.013 0.000 1.123 922 F CA -0.182 57.801 58.000 -0.029 0.000 1.044 922 F CB 1.290 40.286 39.000 -0.007 0.000 1.135 922 F HN 0.576 nan 8.300 nan 0.000 0.461 923 D N 3.980 124.403 120.400 0.038 0.000 2.438 923 D HA 0.473 5.113 4.640 -0.000 0.000 0.257 923 D C -1.083 175.212 176.300 -0.008 0.000 1.148 923 D CA 0.024 54.020 54.000 -0.007 0.000 0.902 923 D CB 1.109 41.788 40.800 -0.202 0.000 1.062 923 D HN 0.187 nan 8.370 nan 0.000 0.518 924 V N 2.194 122.232 119.914 0.207 0.000 3.001 924 V HA 0.672 4.792 4.120 -0.000 0.000 0.314 924 V C -0.102 176.155 176.094 0.272 0.000 1.099 924 V CA -0.852 61.607 62.300 0.264 0.000 0.989 924 V CB 2.359 34.286 31.823 0.174 0.000 1.040 924 V HN 0.256 nan 8.190 nan 0.000 0.434 925 V N 1.809 121.836 119.914 0.188 0.000 2.841 925 V HA 0.636 4.756 4.120 -0.000 0.000 0.310 925 V C -0.518 175.552 176.094 -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 33.691 31.823 -0.407 0.000 1.014 925 V HN 0.848 nan 8.190 nan 0.000 0.425 926 R N 1.971 122.421 120.500 -0.084 0.000 2.439 926 R HA 0.727 5.067 4.340 -0.000 0.000 0.310 926 R C -1.751 174.541 176.300 -0.014 0.000 0.955 926 R CA -0.367 55.708 56.100 -0.041 0.000 0.853 926 R CB 1.997 32.279 30.300 -0.030 0.000 1.171 926 R HN 0.629 nan 8.270 nan 0.000 0.449 927 V N 4.678 124.608 119.914 0.028 0.000 2.394 927 V HA 0.293 4.413 4.120 -0.000 0.000 0.282 927 V C 0.048 176.215 176.094 0.122 0.000 1.031 927 V CA -0.618 61.728 62.300 0.076 0.000 0.881 927 V CB 1.217 33.105 31.823 0.108 0.000 0.982 927 V HN 0.668 nan 8.190 nan 0.000 0.451 928 H N 5.515 124.594 119.070 0.015 0.000 2.466 928 H HA 0.553 5.109 4.556 -0.000 0.000 0.338 928 H C -0.425 174.917 175.328 0.024 0.000 1.091 928 H CA -0.829 55.225 56.048 0.010 0.000 1.207 928 H CB 1.369 31.136 29.762 0.008 0.000 1.466 928 H HN 0.570 nan 8.280 nan 0.000 0.493 929 R N 5.891 126.171 120.500 -0.368 0.000 2.738 929 R HA 0.186 4.526 4.340 -0.000 0.000 0.280 929 R C -1.996 174.069 176.300 -0.392 0.000 1.456 929 R CA -1.694 54.255 56.100 -0.252 0.000 1.612 929 R CB 0.485 30.739 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 -0.726 0.000 1.153 930 P CA 1.506 64.200 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 -3.855 115.178 119.070 -0.061 0.000 2.977 931 H HA 0.387 4.943 4.556 -0.000 0.000 0.350 931 H C -0.007 175.315 175.328 -0.010 0.000 1.238 931 H CA -1.118 54.916 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 1.023 121.606 120.500 0.138 0.000 2.494 932 R HA 0.061 4.401 4.340 -0.000 0.000 0.291 932 R C 0.311 176.611 176.300 0.000 0.000 0.953 932 R CA 1.410 57.543 56.100 0.054 0.000 1.098 932 R CB -0.516 29.802 30.300 0.031 0.000 0.911 932 R HN 1.097 nan 8.270 nan 0.000 0.407 933 G N 2.603 111.353 108.800 -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 -0.386 174.470 174.900 -0.073 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 1.118 121.080 119.914 0.080 0.000 2.488 934 V HA 0.565 4.685 4.120 -0.000 0.000 0.293 934 V C 0.170 176.355 176.094 0.152 0.000 1.027 934 V CA -0.763 61.609 62.300 0.120 0.000 0.862 934 V CB 1.645 33.544 31.823 0.126 0.000 1.008 934 V HN 0.402 nan 8.190 nan 0.000 0.428 935 I N 3.209 123.887 120.570 0.180 0.000 2.411 935 I HA 0.618 4.788 4.170 -0.000 0.000 0.284 935 I C -0.291 175.912 176.117 0.143 0.000 1.012 935 I CA -0.530 60.863 61.300 0.155 0.000 1.119 935 I CB 1.680 39.779 38.000 0.165 0.000 1.261 935 I HN 0.505 nan 8.210 nan 0.000 0.448 936 E N 4.557 124.842 120.200 0.143 0.000 2.183 936 E HA 0.570 4.920 4.350 -0.000 0.000 0.271 936 E C -0.599 176.089 176.600 0.147 0.000 0.919 936 E CA -0.750 55.746 56.400 0.160 0.000 0.781 936 E CB 2.449 32.264 29.700 0.193 0.000 1.140 936 E HN 0.711 nan 8.360 nan 0.000 0.402 937 T N -1.594 113.045 114.554 0.141 0.000 2.908 937 T HA 0.625 4.975 4.350 -0.000 0.000 0.290 937 T C -0.557 174.207 174.700 0.107 0.000 1.034 937 T CA -0.824 61.331 62.100 0.092 0.000 1.010 937 T CB 1.331 70.249 68.868 0.084 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 0.017 0.000 2.380 938 V HA 0.380 4.500 4.120 -0.000 0.000 0.286 938 V C -1.387 174.730 176.094 0.039 0.000 1.015 938 V CA -0.905 61.438 62.300 0.071 0.000 0.834 938 V CB 0.420 32.269 31.823 0.043 0.000 1.009 938 V HN 0.887 nan 8.190 nan 0.000 0.428 939 Y N 4.941 125.311 120.300 0.116 0.000 2.334 939 Y HA 0.746 5.296 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 -0.822 57.369 58.100 0.152 0.000 1.163 939 Y CB 1.762 40.328 38.460 0.177 0.000 1.207 939 Y HN 0.527 nan 8.280 nan 0.000 0.471 940 L N 4.478 125.877 121.223 0.293 0.000 2.516 940 L HA 0.512 4.852 4.340 -0.000 0.000 0.267 940 L C -1.385 175.614 176.870 0.215 0.000 0.957 940 L CA -0.802 54.160 54.840 0.203 0.000 0.860 940 L CB 1.564 43.698 42.059 0.125 0.000 1.265 940 L HN 0.649 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 0.731 5.071 4.340 -0.000 0.000 0.312 941 R C -1.494 174.909 176.300 0.170 0.000 0.980 941 R CA -0.032 56.183 56.100 0.191 0.000 0.867 941 R CB 1.149 31.564 30.300 0.192 0.000 1.163 941 R HN 0.836 nan 8.270 nan 0.000 0.492 942 T N 2.261 116.934 114.554 0.198 0.000 2.912 942 T HA 0.507 4.857 4.350 -0.000 0.000 0.299 942 T C -2.731 172.142 174.700 0.287 0.000 1.052 942 T CA -1.887 60.326 62.100 0.188 0.000 0.996 942 T CB 2.323 71.262 68.868 0.117 0.000 1.070 942 T HN 0.227 nan 8.240 nan 0.000 0.465 943 P HA 0.439 nan 4.420 nan 0.000 0.312 943 P C -0.233 177.208 177.300 0.235 0.000 1.307 943 P CA -0.584 62.605 63.100 0.148 0.000 0.738 943 P CB -0.129 31.569 31.700 -0.002 0.000 1.422 944 F N -3.037 116.803 119.950 -0.182 0.000 2.905 944 F HA -0.184 4.343 4.527 -0.000 0.000 0.291 944 F C 0.196 175.959 175.800 -0.063 0.000 1.002 944 F CA 0.189 58.093 58.000 -0.160 0.000 0.978 944 F CB -2.780 36.133 39.000 -0.146 0.000 1.036 944 F HN -0.077 nan 8.300 nan 0.000 0.820 945 S N 0.067 115.786 115.700 0.031 0.000 2.562 945 S HA 0.643 5.113 4.470 -0.000 0.000 0.281 945 S C 0.744 175.379 174.600 0.057 0.000 1.333 945 S CA -0.331 57.903 58.200 0.056 0.000 1.052 945 S CB 1.403 64.615 63.200 0.020 0.000 0.884 945 S HN 0.725 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