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 1r9d_1_B DATA FIRST_RESID 2 DATA SEQUENCE ISKGFSTQTE RINILKAQIL NAKPCVESER AILITESFKQ TEGQPAILRR DATA SEQUENCE ALALKHILEN IPITIRDQEL IVGSLTKEPR SSQVFPEFSN KWLQDELDRL DATA SEQUENCE NKRTGDAFQI SEESKEKLKD VFEYWNGKTT SELATSYMTE ETREAVNCDV DATA SEQUENCE FTVGNYYYNG VGHVSVDYGK VLRVGFNGII NEAKEQLEKN RSIDPDFIKK DATA SEQUENCE EKFLNSVIIS CEAAITYVNR YAKKAKEIAD NTSDAKRKAE LNEIAKICSK DATA SEQUENCE VSGEGAKSFY EACQLFWFIH AIINIESNGH SISPARFDQY MYPYYENDKN DATA SEQUENCE ITDKFAQELI DCIWIKLNDI NKVRDEISTK HFGGYPMYQN LIVGGQNSEG DATA SEQUENCE KDATNKVSYM ALEAAVHVKL PQPSLSVRIW NKTPDEFLLR AAELTREGLG DATA SEQUENCE LPAYYNDEVI IPALVSRGLT LEDARDYGII GCVEPQKPGK TEGWHDSAFF DATA SEQUENCE NLARIVELTI NSGFDKNKQI GPKTQNFEEM KSFDEFMKAY KAQMEYFVKH DATA SEQUENCE MCCADNCIDI AHAERAPLPF LSSMVDNCIG KGKSLQDGGA EYNFSGPQGV DATA SEQUENCE GVANIGDSLV AVKKIVFDEN KITPSELKKT LNNDFKNSEE IQALLKNAPK DATA SEQUENCE FGNDIDEVDN LAREGALVYC REVNKYTNPR GGNFQPGLYP SSINVYFGSL DATA SEQUENCE TGATPDGRKS GQPLADGVSP SRGCDVSGPT AACNSVSKLD HFIASNGTLF DATA SEQUENCE NQKFHPSALK GDNGLMNLSS LIRSYFDQKG FHVQFNVIDK KILLAAQKNP DATA SEQUENCE EKYQDLIVRV AGYSAQFISL DKSIQNDIIA RTEHVM 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.068 176.117 -0.082 0.000 1.063 2 I CA 0.000 61.262 61.300 -0.063 0.000 1.566 2 I CB 0.000 37.963 38.000 -0.061 0.000 1.214 3 S N 4.635 120.285 115.700 -0.083 0.000 2.423 3 S HA 0.201 4.662 4.470 -0.015 0.000 0.302 3 S C 1.175 175.694 174.600 -0.134 0.000 1.143 3 S CA -0.660 57.476 58.200 -0.107 0.000 1.080 3 S CB 0.331 63.483 63.200 -0.081 0.000 1.081 3 S HN 0.452 nan 8.310 nan 0.000 0.522 4 K N 2.502 122.789 120.400 -0.188 0.000 2.097 4 K HA 0.055 4.366 4.320 -0.015 0.000 0.205 4 K C 1.341 177.802 176.600 -0.233 0.000 1.050 4 K CA 0.777 56.941 56.287 -0.206 0.000 0.938 4 K CB -0.674 31.677 32.500 -0.247 0.000 0.718 4 K HN 0.857 nan 8.250 nan 0.000 0.442 5 G N 0.804 109.392 108.800 -0.353 0.000 2.756 5 G HA2 -0.187 3.764 3.960 -0.015 0.000 0.678 5 G HA3 -0.187 3.764 3.960 -0.015 0.000 0.678 5 G C -0.898 173.711 174.900 -0.486 0.000 1.349 5 G CA -0.771 44.151 45.100 -0.297 0.000 0.847 5 G HN 0.071 nan 8.290 nan 0.000 0.548 6 F N 0.821 120.770 119.950 -0.001 0.000 2.507 6 F HA 0.718 5.236 4.527 -0.015 0.000 0.327 6 F C 1.206 177.038 175.800 0.053 0.000 1.068 6 F CA -0.010 57.998 58.000 0.014 0.000 0.965 6 F CB 2.166 41.175 39.000 0.014 0.000 1.192 6 F HN 0.820 nan 8.300 nan 0.000 0.476 7 S N -0.355 115.520 115.700 0.292 0.000 2.624 7 S HA 0.463 4.924 4.470 -0.015 0.000 0.263 7 S C -0.281 174.471 174.600 0.253 0.000 1.287 7 S CA -0.771 57.575 58.200 0.243 0.000 0.990 7 S CB 0.845 64.187 63.200 0.236 0.000 0.950 7 S HN 0.554 nan 8.310 nan 0.000 0.561 8 T N 2.781 117.358 114.554 0.038 0.000 2.799 8 T HA 0.343 4.684 4.350 -0.015 0.000 0.286 8 T C 0.149 174.606 174.700 -0.405 0.000 0.973 8 T CA -0.728 61.292 62.100 -0.133 0.000 1.035 8 T CB 1.001 69.828 68.868 -0.069 0.000 0.932 8 T HN 0.705 nan 8.240 nan 0.000 0.469 9 Q N 2.126 121.529 119.800 -0.661 0.000 2.394 9 Q HA 0.197 4.528 4.340 -0.015 0.000 0.248 9 Q C 0.223 176.065 176.000 -0.264 0.000 0.992 9 Q CA -0.591 54.816 55.803 -0.661 0.000 0.888 9 Q CB 0.008 28.428 28.738 -0.530 0.000 1.257 9 Q HN 0.727 nan 8.270 nan 0.000 0.462 10 T N -1.314 113.140 114.554 -0.167 0.000 2.802 10 T HA -0.003 4.339 4.350 -0.015 0.000 0.305 10 T C 1.005 175.667 174.700 -0.063 0.000 1.053 10 T CA 0.099 62.153 62.100 -0.078 0.000 1.058 10 T CB 0.653 69.506 68.868 -0.026 0.000 0.988 10 T HN 0.727 nan 8.240 nan 0.000 0.539 11 E N 0.724 120.901 120.200 -0.037 0.000 2.160 11 E HA -0.199 4.142 4.350 -0.015 0.000 0.195 11 E C 2.295 178.884 176.600 -0.019 0.000 0.991 11 E CA 1.591 57.975 56.400 -0.027 0.000 0.810 11 E CB -0.375 29.316 29.700 -0.016 0.000 0.742 11 E HN 0.795 nan 8.360 nan 0.000 0.466 12 R N 0.212 120.706 120.500 -0.010 0.000 2.103 12 R HA -0.152 4.179 4.340 -0.015 0.000 0.242 12 R C 1.948 178.241 176.300 -0.011 0.000 1.142 12 R CA 1.948 58.047 56.100 -0.000 0.000 0.960 12 R CB -0.462 29.848 30.300 0.017 0.000 0.858 12 R HN 0.211 nan 8.270 nan 0.000 0.439 13 I N 1.999 122.554 120.570 -0.024 0.000 2.286 13 I HA -0.237 3.924 4.170 -0.015 0.000 0.248 13 I C 1.562 177.666 176.117 -0.022 0.000 1.115 13 I CA 1.295 62.578 61.300 -0.028 0.000 1.392 13 I CB -1.557 36.416 38.000 -0.045 0.000 1.065 13 I HN 0.302 nan 8.210 nan 0.000 0.418 14 N N 1.171 119.854 118.700 -0.028 0.000 2.120 14 N HA -0.117 4.614 4.740 -0.015 0.000 0.188 14 N C 2.026 177.528 175.510 -0.012 0.000 1.024 14 N CA 1.222 54.259 53.050 -0.021 0.000 0.852 14 N CB -0.241 38.231 38.487 -0.025 0.000 1.003 14 N HN 0.372 nan 8.380 nan 0.000 0.424 15 I N 1.110 121.674 120.570 -0.010 0.000 2.179 15 I HA -0.230 3.932 4.170 -0.015 0.000 0.242 15 I C 2.114 178.229 176.117 -0.003 0.000 1.088 15 I CA 0.900 62.198 61.300 -0.004 0.000 1.357 15 I CB -0.282 37.718 38.000 0.000 0.000 1.051 15 I HN 0.032 nan 8.210 nan 0.000 0.409 16 L N 0.602 121.822 121.223 -0.006 0.000 2.046 16 L HA -0.224 4.107 4.340 -0.015 0.000 0.208 16 L C 2.648 179.513 176.870 -0.009 0.000 1.077 16 L CA 1.389 56.224 54.840 -0.010 0.000 0.747 16 L CB -0.627 41.420 42.059 -0.019 0.000 0.896 16 L HN 0.241 nan 8.230 nan 0.000 0.432 17 K N 0.675 121.072 120.400 -0.006 0.000 2.057 17 K HA -0.195 4.116 4.320 -0.015 0.000 0.207 17 K C 2.134 178.735 176.600 0.000 0.000 1.049 17 K CA 1.380 57.667 56.287 0.000 0.000 0.931 17 K CB -0.094 32.408 32.500 0.005 0.000 0.714 17 K HN 0.262 nan 8.250 nan 0.000 0.440 18 A N 1.224 124.044 122.820 -0.001 0.000 1.972 18 A HA -0.202 4.109 4.320 -0.015 0.000 0.219 18 A C 1.949 179.532 177.584 -0.001 0.000 1.169 18 A CA 1.446 53.482 52.037 -0.001 0.000 0.635 18 A CB -0.441 18.558 19.000 -0.002 0.000 0.810 18 A HN 0.518 nan 8.150 nan 0.000 0.446 19 Q N -0.613 119.186 119.800 -0.001 0.000 2.170 19 Q HA -0.121 4.210 4.340 -0.015 0.000 0.203 19 Q C 1.882 177.879 176.000 -0.005 0.000 0.976 19 Q CA 1.150 56.953 55.803 -0.000 0.000 0.858 19 Q CB -0.265 28.474 28.738 0.002 0.000 0.907 19 Q HN 0.602 nan 8.270 nan 0.000 0.433 20 I N 0.644 121.210 120.570 -0.007 0.000 2.193 20 I HA -0.206 3.955 4.170 -0.015 0.000 0.240 20 I C 2.268 178.375 176.117 -0.016 0.000 1.084 20 I CA 1.303 62.595 61.300 -0.014 0.000 1.365 20 I CB -0.960 37.035 38.000 -0.009 0.000 1.064 20 I HN 0.250 nan 8.210 nan 0.000 0.410 21 L N 0.571 121.792 121.223 -0.003 0.000 2.093 21 L HA -0.159 4.172 4.340 -0.015 0.000 0.208 21 L C 1.848 178.717 176.870 -0.000 0.000 1.085 21 L CA 1.022 55.864 54.840 0.004 0.000 0.755 21 L CB -0.598 41.470 42.059 0.015 0.000 0.904 21 L HN 0.301 nan 8.230 nan 0.000 0.435 22 N N 0.355 119.053 118.700 -0.003 0.000 2.467 22 N HA 0.067 4.799 4.740 -0.015 0.000 0.184 22 N C 0.663 176.167 175.510 -0.010 0.000 1.106 22 N CA 0.350 53.398 53.050 -0.003 0.000 0.892 22 N CB -0.000 38.487 38.487 -0.000 0.000 0.969 22 N HN 0.186 nan 8.380 nan 0.000 0.454 23 A N 0.956 123.763 122.820 -0.021 0.000 2.406 23 A HA 0.212 4.523 4.320 -0.015 0.000 0.243 23 A C 0.274 177.829 177.584 -0.049 0.000 1.082 23 A CA 0.047 52.065 52.037 -0.032 0.000 0.786 23 A CB 0.409 19.383 19.000 -0.043 0.000 1.029 23 A HN 0.090 nan 8.150 nan 0.000 0.495 24 K N 1.862 122.235 120.400 -0.045 0.000 2.478 24 K HA 0.318 4.629 4.320 -0.015 0.000 0.236 24 K C -2.806 173.745 176.600 -0.082 0.000 1.021 24 K CA -1.563 54.692 56.287 -0.052 0.000 1.010 24 K CB 1.023 33.515 32.500 -0.013 0.000 1.331 24 K HN 0.381 nan 8.250 nan 0.000 0.470 25 P HA -0.165 nan 4.420 nan 0.000 0.259 25 P C -0.316 176.941 177.300 -0.072 0.000 1.163 25 P CA 0.054 62.974 63.100 -0.299 0.000 0.760 25 P CB 0.191 31.389 31.700 -0.837 0.000 0.762 26 C N 1.383 120.775 119.300 0.152 0.000 3.318 26 C HA 0.725 5.176 4.460 -0.015 0.000 0.329 26 C C -0.601 174.605 174.990 0.360 0.000 1.449 26 C CA -0.868 58.321 59.018 0.285 0.000 1.397 26 C CB 1.084 28.910 27.740 0.143 0.000 1.810 26 C HN 0.284 nan 8.230 nan 0.000 0.449 27 V N 2.304 122.361 119.914 0.238 0.000 2.384 27 V HA 0.474 4.585 4.120 -0.015 0.000 0.287 27 V C -0.080 176.061 176.094 0.078 0.000 1.020 27 V CA 0.069 62.445 62.300 0.127 0.000 0.850 27 V CB 1.111 32.966 31.823 0.054 0.000 0.987 27 V HN 0.919 nan 8.190 nan 0.000 0.436 28 E N 2.330 122.567 120.200 0.061 0.000 2.222 28 E HA 0.396 4.737 4.350 -0.015 0.000 0.272 28 E C 0.255 176.847 176.600 -0.014 0.000 0.982 28 E CA -0.267 56.150 56.400 0.028 0.000 0.842 28 E CB 1.795 31.519 29.700 0.039 0.000 1.144 28 E HN 0.716 nan 8.360 nan 0.000 0.397 29 S N 0.493 116.171 115.700 -0.037 0.000 2.523 29 S HA 0.021 4.482 4.470 -0.015 0.000 0.217 29 S C 1.120 175.668 174.600 -0.087 0.000 0.996 29 S CA -0.163 57.990 58.200 -0.077 0.000 0.921 29 S CB 0.131 63.278 63.200 -0.089 0.000 0.829 29 S HN 0.336 nan 8.310 nan 0.000 0.495 30 E N 2.805 122.966 120.200 -0.066 0.000 2.048 30 E HA -0.170 4.171 4.350 -0.015 0.000 0.202 30 E C 2.037 178.575 176.600 -0.103 0.000 1.021 30 E CA 1.653 58.011 56.400 -0.071 0.000 0.825 30 E CB -0.350 29.321 29.700 -0.049 0.000 0.756 30 E HN 0.581 nan 8.360 nan 0.000 0.454 31 R N 0.102 120.521 120.500 -0.135 0.000 2.083 31 R HA -0.167 4.164 4.340 -0.015 0.000 0.237 31 R C 2.194 178.366 176.300 -0.214 0.000 1.137 31 R CA 1.559 57.538 56.100 -0.203 0.000 0.951 31 R CB -0.340 29.767 30.300 -0.322 0.000 0.851 31 R HN 0.236 nan 8.270 nan 0.000 0.434 32 A N 1.058 123.746 122.820 -0.219 0.000 1.908 32 A HA -0.162 4.149 4.320 -0.015 0.000 0.218 32 A C 2.171 179.697 177.584 -0.096 0.000 1.181 32 A CA 1.588 53.506 52.037 -0.198 0.000 0.627 32 A CB -0.516 18.361 19.000 -0.206 0.000 0.818 32 A HN 0.391 nan 8.150 nan 0.000 0.445 33 I N -0.488 120.028 120.570 -0.090 0.000 2.226 33 I HA -0.248 3.913 4.170 -0.015 0.000 0.245 33 I C 2.364 178.472 176.117 -0.014 0.000 1.100 33 I CA 1.058 62.326 61.300 -0.054 0.000 1.374 33 I CB -0.314 37.649 38.000 -0.062 0.000 1.057 33 I HN 0.292 nan 8.210 nan 0.000 0.413 34 L N 0.180 121.389 121.223 -0.023 0.000 2.056 34 L HA -0.192 4.139 4.340 -0.015 0.000 0.207 34 L C 2.556 179.512 176.870 0.143 0.000 1.078 34 L CA 1.346 56.212 54.840 0.044 0.000 0.749 34 L CB -0.372 41.644 42.059 -0.072 0.000 0.901 34 L HN 0.256 nan 8.230 nan 0.000 0.433 35 I N -0.600 120.007 120.570 0.061 0.000 2.394 35 I HA -0.261 3.900 4.170 -0.015 0.000 0.251 35 I C 2.296 178.534 176.117 0.202 0.000 1.136 35 I CA 1.171 62.549 61.300 0.130 0.000 1.425 35 I CB 0.087 38.080 38.000 -0.013 0.000 1.079 35 I HN 0.238 nan 8.210 nan 0.000 0.425 36 T N 0.450 115.091 114.554 0.144 0.000 2.777 36 T HA -0.172 4.169 4.350 -0.015 0.000 0.266 36 T C 1.637 176.222 174.700 -0.192 0.000 1.040 36 T CA 1.525 63.620 62.100 -0.007 0.000 1.141 36 T CB -0.194 68.691 68.868 0.029 0.000 0.868 36 T HN 0.448 nan 8.240 nan 0.000 0.444 37 E N 0.822 120.982 120.200 -0.066 0.000 2.038 37 E HA -0.146 4.195 4.350 -0.015 0.000 0.195 37 E C 2.490 178.994 176.600 -0.161 0.000 1.000 37 E CA 1.353 57.697 56.400 -0.094 0.000 0.803 37 E CB -0.211 29.519 29.700 0.050 0.000 0.750 37 E HN 0.316 nan 8.360 nan 0.000 0.448 38 S N -0.188 115.458 115.700 -0.090 0.000 2.348 38 S HA -0.160 4.301 4.470 -0.015 0.000 0.221 38 S C 1.751 176.320 174.600 -0.052 0.000 1.033 38 S CA 0.988 59.108 58.200 -0.132 0.000 1.010 38 S CB -0.293 62.918 63.200 0.019 0.000 0.891 38 S HN 0.178 nan 8.310 nan 0.000 0.442 39 F N 1.870 121.711 119.950 -0.182 0.000 2.202 39 F HA 0.026 4.544 4.527 -0.015 0.000 0.301 39 F C 2.306 177.944 175.800 -0.271 0.000 1.082 39 F CA 1.205 59.090 58.000 -0.191 0.000 1.313 39 F CB -0.306 38.573 39.000 -0.203 0.000 1.024 39 F HN 0.215 nan 8.300 nan 0.000 0.495 40 K N -0.609 119.624 120.400 -0.280 0.000 2.280 40 K HA -0.149 4.162 4.320 -0.015 0.000 0.202 40 K C 1.583 178.088 176.600 -0.158 0.000 1.047 40 K CA 0.864 56.985 56.287 -0.277 0.000 0.942 40 K CB -0.070 32.220 32.500 -0.350 0.000 0.739 40 K HN 0.236 nan 8.250 nan 0.000 0.457 41 Q N -0.526 119.174 119.800 -0.167 0.000 2.282 41 Q HA 0.015 4.347 4.340 -0.015 0.000 0.206 41 Q C 0.854 176.767 176.000 -0.146 0.000 0.878 41 Q CA 0.755 56.469 55.803 -0.148 0.000 0.944 41 Q CB 1.187 29.823 28.738 -0.170 0.000 1.100 41 Q HN 0.316 nan 8.270 nan 0.000 0.509 42 T N -4.021 110.427 114.554 -0.176 0.000 3.296 42 T HA 0.245 4.586 4.350 -0.015 0.000 0.285 42 T C 1.017 175.605 174.700 -0.186 0.000 1.014 42 T CA -0.239 61.743 62.100 -0.196 0.000 0.920 42 T CB 0.564 69.267 68.868 -0.275 0.000 1.143 42 T HN -0.177 nan 8.240 nan 0.000 0.522 43 E N 2.404 122.530 120.200 -0.123 0.000 2.130 43 E HA -0.017 4.324 4.350 -0.015 0.000 0.196 43 E C 2.041 178.598 176.600 -0.072 0.000 0.998 43 E CA 1.706 58.058 56.400 -0.080 0.000 0.806 43 E CB -0.756 28.921 29.700 -0.038 0.000 0.738 43 E HN 0.682 nan 8.360 nan 0.000 0.459 44 G N -0.785 107.973 108.800 -0.070 0.000 3.233 44 G HA2 -0.014 3.937 3.960 -0.015 0.000 0.227 44 G HA3 -0.014 3.937 3.960 -0.015 0.000 0.227 44 G C 0.235 175.100 174.900 -0.057 0.000 1.175 44 G CA -0.283 44.785 45.100 -0.054 0.000 0.781 44 G HN 0.073 nan 8.290 nan 0.000 0.542 45 Q N 0.388 120.139 119.800 -0.082 0.000 2.226 45 Q HA 0.496 4.827 4.340 -0.015 0.000 0.256 45 Q C -2.420 173.540 176.000 -0.067 0.000 0.962 45 Q CA -2.018 53.737 55.803 -0.079 0.000 0.887 45 Q CB 2.003 30.673 28.738 -0.114 0.000 1.282 45 Q HN -0.026 nan 8.270 nan 0.000 0.449 46 P HA 0.073 nan 4.420 nan 0.000 0.269 46 P C -0.503 176.789 177.300 -0.013 0.000 1.215 46 P CA 0.132 63.226 63.100 -0.009 0.000 0.780 46 P CB 0.780 32.488 31.700 0.013 0.000 0.898 47 A N 2.528 125.361 122.820 0.021 0.000 1.927 47 A HA -0.248 4.063 4.320 -0.015 0.000 0.220 47 A C 1.995 179.617 177.584 0.064 0.000 1.185 47 A CA 1.875 53.940 52.037 0.048 0.000 0.639 47 A CB -1.577 17.489 19.000 0.109 0.000 0.820 47 A HN 0.595 nan 8.150 nan 0.000 0.451 48 I N -0.571 120.050 120.570 0.086 0.000 2.286 48 I HA -0.199 3.962 4.170 -0.015 0.000 0.248 48 I C 2.186 178.336 176.117 0.056 0.000 1.115 48 I CA 1.280 62.648 61.300 0.114 0.000 1.392 48 I CB -0.135 37.969 38.000 0.173 0.000 1.065 48 I HN 0.352 nan 8.210 nan 0.000 0.418 49 L N -0.425 120.805 121.223 0.011 0.000 2.179 49 L HA -0.096 4.235 4.340 -0.015 0.000 0.208 49 L C 2.639 179.466 176.870 -0.072 0.000 1.096 49 L CA 0.839 55.662 54.840 -0.029 0.000 0.779 49 L CB -0.470 41.565 42.059 -0.039 0.000 0.922 49 L HN 0.129 nan 8.230 nan 0.000 0.443 50 R N -0.541 119.879 120.500 -0.133 0.000 2.096 50 R HA -0.113 4.218 4.340 -0.015 0.000 0.235 50 R C 2.358 178.575 176.300 -0.139 0.000 1.127 50 R CA 0.869 56.785 56.100 -0.307 0.000 0.968 50 R CB -0.229 29.697 30.300 -0.624 0.000 0.861 50 R HN 0.248 nan 8.270 nan 0.000 0.440 51 R N 0.429 120.948 120.500 0.032 0.000 2.092 51 R HA -0.005 4.326 4.340 -0.015 0.000 0.231 51 R C 2.153 178.515 176.300 0.103 0.000 1.119 51 R CA 1.458 57.658 56.100 0.166 0.000 0.970 51 R CB -0.660 29.754 30.300 0.191 0.000 0.864 51 R HN 0.237 nan 8.270 nan 0.000 0.440 52 A N 0.989 123.836 122.820 0.045 0.000 1.897 52 A HA -0.038 4.273 4.320 -0.015 0.000 0.215 52 A C 2.346 179.930 177.584 -0.000 0.000 1.181 52 A CA 0.872 52.919 52.037 0.015 0.000 0.620 52 A CB -0.454 18.537 19.000 -0.014 0.000 0.821 52 A HN 0.174 nan 8.150 nan 0.000 0.443 53 L N -0.849 120.365 121.223 -0.015 0.000 2.141 53 L HA -0.123 4.208 4.340 -0.015 0.000 0.209 53 L C 3.008 179.893 176.870 0.024 0.000 1.094 53 L CA 0.827 55.653 54.840 -0.023 0.000 0.763 53 L CB -0.470 41.546 42.059 -0.071 0.000 0.908 53 L HN 0.436 nan 8.230 nan 0.000 0.437 54 A N 0.111 122.974 122.820 0.072 0.000 1.898 54 A HA -0.189 4.122 4.320 -0.015 0.000 0.216 54 A C 2.188 179.834 177.584 0.103 0.000 1.181 54 A CA 1.320 53.456 52.037 0.165 0.000 0.620 54 A CB -0.603 18.607 19.000 0.351 0.000 0.819 54 A HN 0.294 nan 8.150 nan 0.000 0.442 55 L N 0.257 121.510 121.223 0.050 0.000 2.046 55 L HA -0.155 4.176 4.340 -0.015 0.000 0.208 55 L C 2.299 179.130 176.870 -0.066 0.000 1.077 55 L CA 2.674 57.492 54.840 -0.037 0.000 0.747 55 L CB -0.580 41.438 42.059 -0.069 0.000 0.896 55 L HN 0.491 nan 8.230 nan 0.000 0.432 56 K N -1.691 118.691 120.400 -0.030 0.000 2.032 56 K HA -0.303 4.008 4.320 -0.015 0.000 0.209 56 K C 2.314 178.928 176.600 0.023 0.000 1.048 56 K CA 1.839 58.110 56.287 -0.026 0.000 0.927 56 K CB -0.341 32.153 32.500 -0.010 0.000 0.712 56 K HN 0.496 nan 8.250 nan 0.000 0.441 57 H N 0.644 119.686 119.070 -0.047 0.000 2.353 57 H HA -0.040 4.507 4.556 -0.015 0.000 0.300 57 H C 1.860 177.161 175.328 -0.044 0.000 1.090 57 H CA 2.099 58.124 56.048 -0.038 0.000 1.327 57 H CB -0.125 29.623 29.762 -0.024 0.000 1.383 57 H HN 0.210 nan 8.280 nan 0.000 0.508 58 I N -0.231 120.309 120.570 -0.051 0.000 2.142 58 I HA -0.278 3.883 4.170 -0.015 0.000 0.240 58 I C 2.217 178.252 176.117 -0.136 0.000 1.078 58 I CA 1.184 62.405 61.300 -0.131 0.000 1.343 58 I CB -0.290 37.638 38.000 -0.119 0.000 1.046 58 I HN 0.236 nan 8.210 nan 0.000 0.405 59 L N 0.224 121.364 121.223 -0.140 0.000 2.131 59 L HA -0.185 4.146 4.340 -0.015 0.000 0.210 59 L C 2.286 179.181 176.870 0.042 0.000 1.092 59 L CA 1.352 56.130 54.840 -0.103 0.000 0.759 59 L CB -0.586 41.350 42.059 -0.204 0.000 0.903 59 L HN 0.321 nan 8.230 nan 0.000 0.435 60 E N -0.259 119.920 120.200 -0.035 0.000 2.299 60 E HA -0.057 4.284 4.350 -0.015 0.000 0.193 60 E C 1.062 177.619 176.600 -0.072 0.000 0.998 60 E CA 0.491 56.871 56.400 -0.033 0.000 0.851 60 E CB 0.159 29.837 29.700 -0.037 0.000 0.795 60 E HN 0.531 nan 8.360 nan 0.000 0.492 61 N N 0.229 118.849 118.700 -0.134 0.000 2.166 61 N HA 0.074 4.805 4.740 -0.015 0.000 0.213 61 N C 0.093 175.541 175.510 -0.104 0.000 1.222 61 N CA -0.167 52.791 53.050 -0.154 0.000 0.900 61 N CB 1.092 39.401 38.487 -0.296 0.000 1.055 61 N HN 0.067 nan 8.380 nan 0.000 0.515 62 I N 3.116 123.652 120.570 -0.058 0.000 2.692 62 I HA 0.141 4.302 4.170 -0.015 0.000 0.284 62 I C -2.176 173.954 176.117 0.022 0.000 1.159 62 I CA -1.828 59.463 61.300 -0.015 0.000 1.423 62 I CB 0.466 38.476 38.000 0.018 0.000 1.380 62 I HN -0.112 nan 8.210 nan 0.000 0.580 63 P HA 0.116 nan 4.420 nan 0.000 0.266 63 P C -1.001 176.314 177.300 0.025 0.000 1.195 63 P CA 0.160 63.261 63.100 0.002 0.000 0.768 63 P CB 0.271 31.976 31.700 0.008 0.000 0.838 64 I N 2.521 123.051 120.570 -0.066 0.000 2.412 64 I HA 0.367 4.528 4.170 -0.015 0.000 0.296 64 I C 0.285 176.338 176.117 -0.106 0.000 0.987 64 I CA -0.035 61.152 61.300 -0.190 0.000 1.180 64 I CB 1.432 39.109 38.000 -0.538 0.000 1.340 64 I HN 0.239 nan 8.210 nan 0.000 0.455 65 T N 6.749 121.320 114.554 0.028 0.000 2.921 65 T HA 0.609 4.950 4.350 -0.015 0.000 0.297 65 T C -0.252 174.576 174.700 0.213 0.000 1.013 65 T CA -0.347 61.812 62.100 0.098 0.000 0.990 65 T CB 1.835 70.774 68.868 0.119 0.000 1.023 65 T HN 0.247 nan 8.240 nan 0.000 0.447 66 I N 3.343 124.000 120.570 0.146 0.000 2.382 66 I HA 0.406 4.567 4.170 -0.015 0.000 0.286 66 I C 0.384 176.565 176.117 0.107 0.000 1.002 66 I CA -0.856 60.548 61.300 0.173 0.000 1.135 66 I CB 1.456 39.551 38.000 0.158 0.000 1.288 66 I HN 0.355 nan 8.210 nan 0.000 0.448 67 R N 3.028 123.585 120.500 0.095 0.000 2.531 67 R HA 0.197 4.529 4.340 -0.015 0.000 0.273 67 R C -0.460 175.871 176.300 0.052 0.000 1.070 67 R CA -0.846 55.292 56.100 0.062 0.000 1.112 67 R CB 0.764 31.093 30.300 0.048 0.000 1.049 67 R HN 0.463 nan 8.270 nan 0.000 0.508 68 D N 1.722 122.146 120.400 0.041 0.000 2.493 68 D HA -0.095 4.536 4.640 -0.015 0.000 0.240 68 D C 0.124 176.444 176.300 0.034 0.000 1.142 68 D CA 0.950 54.972 54.000 0.037 0.000 0.872 68 D CB 0.541 41.358 40.800 0.028 0.000 1.173 68 D HN 0.396 nan 8.370 nan 0.000 0.467 69 Q N 0.259 120.084 119.800 0.041 0.000 2.342 69 Q HA -0.219 4.112 4.340 -0.015 0.000 0.196 69 Q C -0.543 175.484 176.000 0.046 0.000 0.629 69 Q CA 0.990 56.818 55.803 0.042 0.000 1.365 69 Q CB -1.853 26.902 28.738 0.029 0.000 1.406 69 Q HN 0.763 nan 8.270 nan 0.000 0.840 70 E N 0.285 120.513 120.200 0.047 0.000 2.392 70 E HA 0.149 4.490 4.350 -0.015 0.000 0.264 70 E C 1.235 177.881 176.600 0.077 0.000 1.024 70 E CA 0.030 56.453 56.400 0.038 0.000 0.903 70 E CB 0.459 30.179 29.700 0.033 0.000 0.963 70 E HN 0.194 nan 8.360 nan 0.000 0.432 71 L N 2.653 123.916 121.223 0.067 0.000 2.425 71 L HA 0.175 4.506 4.340 -0.015 0.000 0.215 71 L C 0.401 177.386 176.870 0.191 0.000 1.065 71 L CA 0.203 55.133 54.840 0.151 0.000 0.842 71 L CB 0.450 42.538 42.059 0.049 0.000 1.033 71 L HN 0.472 nan 8.230 nan 0.000 0.474 72 I N 1.851 122.446 120.570 0.041 0.000 2.362 72 I HA 0.271 4.432 4.170 -0.015 0.000 0.289 72 I C -0.063 175.989 176.117 -0.109 0.000 0.994 72 I CA -0.442 60.849 61.300 -0.014 0.000 1.158 72 I CB 1.606 39.526 38.000 -0.133 0.000 1.315 72 I HN -0.231 nan 8.210 nan 0.000 0.451 73 V N 2.491 122.345 119.914 -0.100 0.000 2.850 73 V HA 1.094 5.205 4.120 -0.015 0.000 0.315 73 V C 0.148 176.054 176.094 -0.313 0.000 1.064 73 V CA -0.665 61.570 62.300 -0.108 0.000 0.979 73 V CB 1.666 33.533 31.823 0.074 0.000 1.039 73 V HN 1.043 nan 8.190 nan 0.000 0.452 74 G N 1.402 110.087 108.800 -0.191 0.000 2.588 74 G HA2 0.300 4.251 3.960 -0.015 0.000 0.239 74 G HA3 0.300 4.251 3.960 -0.015 0.000 0.239 74 G C -0.741 174.388 174.900 0.381 0.000 1.275 74 G CA -0.238 44.772 45.100 -0.151 0.000 1.181 74 G HN 1.073 nan 8.290 nan 0.000 0.595 75 S N 1.728 117.698 115.700 0.451 0.000 2.519 75 S HA 0.493 4.954 4.470 -0.015 0.000 0.309 75 S C 1.469 176.294 174.600 0.374 0.000 1.100 75 S CA -0.866 57.565 58.200 0.385 0.000 1.059 75 S CB 1.582 64.955 63.200 0.288 0.000 1.008 75 S HN 0.522 nan 8.310 nan 0.000 0.478 76 L N 1.916 123.322 121.223 0.305 0.000 2.313 76 L HA 0.067 4.398 4.340 -0.015 0.000 0.214 76 L C 1.173 178.155 176.870 0.186 0.000 1.119 76 L CA 0.623 55.605 54.840 0.237 0.000 0.809 76 L CB -0.484 41.694 42.059 0.197 0.000 0.933 76 L HN 0.679 nan 8.230 nan 0.000 0.449 77 T N -5.147 109.513 114.554 0.177 0.000 2.903 77 T HA 0.320 4.661 4.350 -0.015 0.000 0.299 77 T C 0.421 175.192 174.700 0.119 0.000 1.093 77 T CA -0.919 61.261 62.100 0.132 0.000 1.002 77 T CB 2.476 71.418 68.868 0.123 0.000 1.127 77 T HN -0.123 nan 8.240 nan 0.000 0.488 78 K N 0.101 120.554 120.400 0.089 0.000 2.025 78 K HA -0.015 4.297 4.320 -0.015 0.000 0.207 78 K C 0.803 177.443 176.600 0.066 0.000 1.049 78 K CA 1.185 57.515 56.287 0.073 0.000 0.933 78 K CB -0.050 32.481 32.500 0.050 0.000 0.714 78 K HN 0.660 nan 8.250 nan 0.000 0.438 79 E N 1.401 121.637 120.200 0.061 0.000 2.313 79 E HA 0.121 4.463 4.350 -0.015 0.000 0.276 79 E C -2.615 174.015 176.600 0.050 0.000 1.031 79 E CA -2.727 53.702 56.400 0.048 0.000 0.857 79 E CB 0.984 30.709 29.700 0.042 0.000 1.040 79 E HN -0.165 nan 8.360 nan 0.000 0.408 80 P HA 0.117 nan 4.420 nan 0.000 0.272 80 P C -0.864 176.435 177.300 -0.001 0.000 1.230 80 P CA 0.013 63.130 63.100 0.028 0.000 0.788 80 P CB 0.428 32.136 31.700 0.013 0.000 0.949 81 R N -0.503 119.997 120.500 0.000 0.000 3.516 81 R HA -0.155 4.176 4.340 -0.015 0.000 0.271 81 R C -0.615 175.649 176.300 -0.060 0.000 1.098 81 R CA 0.476 56.541 56.100 -0.057 0.000 0.732 81 R CB -1.697 28.514 30.300 -0.148 0.000 1.152 81 R HN 0.514 nan 8.270 nan 0.000 0.455 82 S N -1.483 114.248 115.700 0.052 0.000 2.798 82 S HA 0.673 5.134 4.470 -0.015 0.000 0.312 82 S C -0.618 174.108 174.600 0.209 0.000 1.122 82 S CA -0.409 57.876 58.200 0.141 0.000 0.949 82 S CB 2.119 65.393 63.200 0.124 0.000 1.235 82 S HN 0.286 nan 8.310 nan 0.000 0.552 83 S N 0.250 116.099 115.700 0.249 0.000 2.541 83 S HA 0.480 4.941 4.470 -0.015 0.000 0.280 83 S C -1.313 173.388 174.600 0.169 0.000 1.112 83 S CA -0.706 57.621 58.200 0.211 0.000 0.925 83 S CB 1.001 64.309 63.200 0.180 0.000 1.067 83 S HN 0.534 nan 8.310 nan 0.000 0.479 84 Q N 1.356 121.281 119.800 0.209 0.000 2.171 84 Q HA 0.528 4.859 4.340 -0.015 0.000 0.217 84 Q C -0.546 175.552 176.000 0.164 0.000 0.995 84 Q CA -0.605 55.265 55.803 0.112 0.000 0.979 84 Q CB 1.314 30.062 28.738 0.016 0.000 1.152 84 Q HN 0.577 nan 8.270 nan 0.000 0.525 85 V N 1.120 121.017 119.914 -0.029 0.000 2.581 85 V HA 0.348 4.459 4.120 -0.015 0.000 0.303 85 V C -0.855 175.129 176.094 -0.183 0.000 1.041 85 V CA -0.453 61.863 62.300 0.027 0.000 0.907 85 V CB 1.002 32.780 31.823 -0.075 0.000 0.994 85 V HN 0.516 nan 8.190 nan 0.000 0.442 86 F N 5.522 125.456 119.950 -0.027 0.000 2.449 86 F HA 0.388 4.907 4.527 -0.015 0.000 0.344 86 F C -1.341 174.306 175.800 -0.255 0.000 1.180 86 F CA -2.260 55.678 58.000 -0.104 0.000 1.209 86 F CB 1.256 40.352 39.000 0.161 0.000 1.440 86 F HN 0.376 nan 8.300 nan 0.000 0.526 87 P HA -0.190 nan 4.420 nan 0.000 0.225 87 P C 1.083 177.726 177.300 -1.095 0.000 1.148 87 P CA 1.225 63.919 63.100 -0.676 0.000 0.779 87 P CB 0.244 31.431 31.700 -0.855 0.000 0.780 88 E N -0.059 119.321 120.200 -1.367 0.000 2.268 88 E HA -0.146 4.195 4.350 -0.015 0.000 0.195 88 E C 1.524 177.692 176.600 -0.720 0.000 0.995 88 E CA 0.938 56.511 56.400 -1.378 0.000 0.836 88 E CB -1.050 27.899 29.700 -1.252 0.000 0.763 88 E HN 0.324 nan 8.360 nan 0.000 0.491 89 F N 1.699 121.537 119.950 -0.186 0.000 2.274 89 F HA 0.085 4.603 4.527 -0.015 0.000 0.288 89 F C 1.419 177.184 175.800 -0.059 0.000 1.069 89 F CA 0.525 58.479 58.000 -0.077 0.000 1.343 89 F CB 0.331 39.354 39.000 0.039 0.000 1.089 89 F HN 0.013 nan 8.300 nan 0.000 0.517 90 S N -0.531 115.297 115.700 0.213 0.000 2.595 90 S HA 0.399 4.860 4.470 -0.015 0.000 0.270 90 S C -0.840 173.896 174.600 0.227 0.000 1.145 90 S CA -0.300 58.050 58.200 0.250 0.000 0.825 90 S CB 1.616 65.100 63.200 0.473 0.000 1.107 90 S HN 0.348 nan 8.310 nan 0.000 0.461 91 N N -0.190 118.573 118.700 0.105 0.000 1.863 91 N HA 0.115 4.846 4.740 -0.015 0.000 0.241 91 N C 0.696 175.974 175.510 -0.386 0.000 1.395 91 N CA -0.345 52.608 53.050 -0.161 0.000 0.765 91 N CB -0.239 38.283 38.487 0.059 0.000 1.120 91 N HN 0.468 nan 8.380 nan 0.000 0.510 92 K N 0.945 121.243 120.400 -0.169 0.000 2.209 92 K HA -0.066 4.245 4.320 -0.015 0.000 0.204 92 K C 1.115 177.585 176.600 -0.216 0.000 1.048 92 K CA 1.798 57.943 56.287 -0.238 0.000 0.940 92 K CB -0.240 32.241 32.500 -0.033 0.000 0.729 92 K HN 0.506 nan 8.250 nan 0.000 0.451 93 W N 0.979 122.248 121.300 -0.051 0.000 2.388 93 W HA -0.133 4.518 4.660 -0.015 0.000 0.294 93 W C 1.399 177.857 176.519 -0.102 0.000 1.212 93 W CA 0.382 57.684 57.345 -0.072 0.000 1.271 93 W CB -0.866 28.531 29.460 -0.104 0.000 1.126 93 W HN 0.017 nan 8.180 nan 0.000 0.535 94 L N 1.276 121.781 121.223 -1.197 0.000 2.027 94 L HA -0.240 4.092 4.340 -0.015 0.000 0.206 94 L C 3.127 179.685 176.870 -0.520 0.000 1.074 94 L CA 2.140 56.319 54.840 -1.101 0.000 0.745 94 L CB -0.616 40.713 42.059 -1.218 0.000 0.898 94 L HN 0.089 nan 8.230 nan 0.000 0.433 95 Q N -0.351 118.953 119.800 -0.826 0.000 2.135 95 Q HA -0.262 4.070 4.340 -0.015 0.000 0.204 95 Q C 1.551 177.335 176.000 -0.360 0.000 0.981 95 Q CA 2.095 57.348 55.803 -0.917 0.000 0.856 95 Q CB 0.051 27.897 28.738 -1.487 0.000 0.902 95 Q HN 0.546 nan 8.270 nan 0.000 0.425 96 D N 0.094 120.342 120.400 -0.253 0.000 2.183 96 D HA -0.101 4.530 4.640 -0.015 0.000 0.203 96 D C 0.915 177.197 176.300 -0.030 0.000 0.969 96 D CA 1.003 54.946 54.000 -0.096 0.000 0.842 96 D CB 0.100 40.881 40.800 -0.031 0.000 0.957 96 D HN 0.441 nan 8.370 nan 0.000 0.484 97 E N 0.178 120.373 120.200 -0.008 0.000 2.474 97 E HA 0.112 4.453 4.350 -0.015 0.000 0.195 97 E C 2.036 178.662 176.600 0.043 0.000 1.039 97 E CA -0.289 56.142 56.400 0.051 0.000 0.881 97 E CB 0.379 30.165 29.700 0.144 0.000 0.970 97 E HN 0.190 nan 8.360 nan 0.000 0.486 98 L N 1.309 122.539 121.223 0.011 0.000 2.064 98 L HA -0.272 4.059 4.340 -0.015 0.000 0.216 98 L C 1.420 178.323 176.870 0.054 0.000 1.077 98 L CA 1.317 56.181 54.840 0.039 0.000 0.766 98 L CB -0.234 41.858 42.059 0.056 0.000 0.890 98 L HN 0.179 nan 8.230 nan 0.000 0.435 99 D N -0.758 119.670 120.400 0.046 0.000 2.339 99 D HA -0.017 4.614 4.640 -0.015 0.000 0.217 99 D C 1.432 177.764 176.300 0.053 0.000 1.050 99 D CA 0.395 54.424 54.000 0.048 0.000 0.856 99 D CB 0.228 41.050 40.800 0.038 0.000 0.922 99 D HN 0.558 nan 8.370 nan 0.000 0.518 100 R N -0.280 120.257 120.500 0.062 0.000 2.565 100 R HA 0.287 4.618 4.340 -0.015 0.000 0.347 100 R C 1.485 177.839 176.300 0.091 0.000 1.010 100 R CA -0.171 55.969 56.100 0.066 0.000 1.126 100 R CB -0.421 29.911 30.300 0.053 0.000 1.331 100 R HN -0.011 nan 8.270 nan 0.000 0.552 101 L N 1.584 122.877 121.223 0.115 0.000 2.141 101 L HA -0.125 4.206 4.340 -0.015 0.000 0.209 101 L C 1.147 178.122 176.870 0.175 0.000 1.094 101 L CA 1.527 56.469 54.840 0.170 0.000 0.763 101 L CB -0.388 41.789 42.059 0.197 0.000 0.908 101 L HN 0.429 nan 8.230 nan 0.000 0.437 102 N N -0.601 118.178 118.700 0.131 0.000 2.398 102 N HA -0.095 4.636 4.740 -0.015 0.000 0.188 102 N C 1.088 176.645 175.510 0.078 0.000 1.122 102 N CA 0.424 53.540 53.050 0.109 0.000 0.866 102 N CB -0.140 38.401 38.487 0.090 0.000 0.970 102 N HN 0.218 nan 8.380 nan 0.000 0.462 103 K N -0.107 120.336 120.400 0.072 0.000 2.374 103 K HA 0.182 4.494 4.320 -0.015 0.000 0.196 103 K C 0.076 176.702 176.600 0.044 0.000 1.023 103 K CA -0.234 56.084 56.287 0.051 0.000 1.103 103 K CB 0.472 32.998 32.500 0.044 0.000 0.848 103 K HN 0.161 nan 8.250 nan 0.000 0.528 104 R N 0.567 121.101 120.500 0.057 0.000 2.582 104 R HA 0.045 4.376 4.340 -0.015 0.000 0.271 104 R C 1.400 177.709 176.300 0.015 0.000 1.078 104 R CA 0.136 56.260 56.100 0.039 0.000 1.127 104 R CB 0.668 31.006 30.300 0.064 0.000 1.038 104 R HN 0.127 nan 8.270 nan 0.000 0.500 105 T N -1.050 113.497 114.554 -0.011 0.000 2.739 105 T HA 0.061 4.402 4.350 -0.015 0.000 0.249 105 T C 1.190 175.853 174.700 -0.061 0.000 1.050 105 T CA 0.379 62.461 62.100 -0.031 0.000 1.165 105 T CB -0.268 68.576 68.868 -0.041 0.000 0.872 105 T HN 0.609 nan 8.240 nan 0.000 0.411 106 G N 0.171 108.915 108.800 -0.094 0.000 2.477 106 G HA2 0.457 4.409 3.960 -0.015 0.000 0.304 106 G HA3 0.457 4.409 3.960 -0.015 0.000 0.304 106 G C -0.813 173.974 174.900 -0.189 0.000 1.175 106 G CA -0.517 44.483 45.100 -0.167 0.000 0.907 106 G HN 0.440 nan 8.290 nan 0.000 0.509 107 D N -1.447 118.705 120.400 -0.414 0.000 2.708 107 D HA -0.102 4.529 4.640 -0.015 0.000 0.236 107 D C 0.769 177.072 176.300 0.005 0.000 1.146 107 D CA 0.943 54.665 54.000 -0.464 0.000 0.662 107 D CB -0.994 39.694 40.800 -0.187 0.000 1.059 107 D HN 0.737 nan 8.370 nan 0.000 0.428 108 A N 0.095 122.922 122.820 0.012 0.000 2.371 108 A HA 0.620 4.931 4.320 -0.015 0.000 0.257 108 A C -0.147 177.465 177.584 0.047 0.000 1.089 108 A CA 0.068 52.174 52.037 0.115 0.000 0.794 108 A CB 0.524 19.565 19.000 0.068 0.000 1.029 108 A HN 0.196 nan 8.150 nan 0.000 0.488 109 F N 0.349 120.399 119.950 0.165 0.000 2.565 109 F HA 0.387 4.906 4.527 -0.015 0.000 0.313 109 F C 0.258 176.116 175.800 0.096 0.000 1.091 109 F CA -0.460 57.624 58.000 0.140 0.000 0.915 109 F CB 2.238 41.331 39.000 0.154 0.000 1.208 109 F HN 0.485 nan 8.300 nan 0.000 0.453 110 Q N 3.096 123.039 119.800 0.239 0.000 2.193 110 Q HA 0.668 4.999 4.340 -0.015 0.000 0.246 110 Q C -0.871 175.227 176.000 0.163 0.000 0.959 110 Q CA -0.707 55.189 55.803 0.156 0.000 0.904 110 Q CB 2.925 31.719 28.738 0.094 0.000 1.238 110 Q HN 0.802 nan 8.270 nan 0.000 0.469 111 I N -0.003 120.635 120.570 0.113 0.000 2.715 111 I HA 0.137 4.298 4.170 -0.015 0.000 0.288 111 I C -0.660 175.493 176.117 0.061 0.000 1.371 111 I CA -0.285 61.068 61.300 0.088 0.000 1.056 111 I CB 1.693 39.746 38.000 0.087 0.000 1.339 111 I HN 0.745 nan 8.210 nan 0.000 0.425 112 S N 5.373 121.100 115.700 0.046 0.000 2.585 112 S HA 0.249 4.710 4.470 -0.015 0.000 0.273 112 S C 0.836 175.452 174.600 0.026 0.000 1.339 112 S CA -0.411 57.809 58.200 0.033 0.000 1.028 112 S CB 1.436 64.650 63.200 0.024 0.000 0.906 112 S HN 0.687 nan 8.310 nan 0.000 0.528 113 E N 1.112 121.326 120.200 0.023 0.000 2.204 113 E HA -0.167 4.174 4.350 -0.015 0.000 0.195 113 E C 1.760 178.367 176.600 0.011 0.000 0.990 113 E CA 1.290 57.702 56.400 0.020 0.000 0.821 113 E CB -0.290 29.422 29.700 0.019 0.000 0.750 113 E HN 0.955 nan 8.360 nan 0.000 0.477 114 E N 0.539 120.743 120.200 0.006 0.000 2.072 114 E HA -0.103 4.238 4.350 -0.015 0.000 0.191 114 E C 1.962 178.553 176.600 -0.014 0.000 0.985 114 E CA 1.120 57.518 56.400 -0.003 0.000 0.801 114 E CB 0.152 29.850 29.700 -0.003 0.000 0.750 114 E HN -0.012 nan 8.360 nan 0.000 0.452 115 S N 0.576 116.269 115.700 -0.012 0.000 2.368 115 S HA -0.122 4.340 4.470 -0.015 0.000 0.225 115 S C 1.733 176.308 174.600 -0.042 0.000 1.030 115 S CA 1.134 59.317 58.200 -0.029 0.000 0.999 115 S CB -0.120 63.072 63.200 -0.013 0.000 0.844 115 S HN 0.242 nan 8.310 nan 0.000 0.459 116 K N 0.819 121.213 120.400 -0.010 0.000 2.063 116 K HA -0.160 4.151 4.320 -0.015 0.000 0.208 116 K C 2.249 178.843 176.600 -0.011 0.000 1.048 116 K CA 1.446 57.737 56.287 0.007 0.000 0.928 116 K CB -0.158 32.363 32.500 0.035 0.000 0.713 116 K HN 0.182 nan 8.250 nan 0.000 0.442 117 E N 1.597 121.789 120.200 -0.014 0.000 2.051 117 E HA -0.148 4.193 4.350 -0.015 0.000 0.192 117 E C 1.538 178.108 176.600 -0.050 0.000 0.991 117 E CA 1.620 58.010 56.400 -0.017 0.000 0.799 117 E CB 0.090 29.785 29.700 -0.010 0.000 0.748 117 E HN 0.129 nan 8.360 nan 0.000 0.449 118 K N -0.163 120.195 120.400 -0.069 0.000 2.209 118 K HA -0.045 4.267 4.320 -0.015 0.000 0.204 118 K C 2.041 178.540 176.600 -0.169 0.000 1.048 118 K CA 0.988 57.219 56.287 -0.094 0.000 0.940 118 K CB -0.124 32.328 32.500 -0.081 0.000 0.729 118 K HN 0.221 nan 8.250 nan 0.000 0.451 119 L N 0.827 121.899 121.223 -0.252 0.000 2.376 119 L HA -0.108 4.223 4.340 -0.015 0.000 0.219 119 L C 1.945 178.405 176.870 -0.685 0.000 1.133 119 L CA 0.754 55.264 54.840 -0.549 0.000 0.816 119 L CB -0.239 41.405 42.059 -0.693 0.000 0.933 119 L HN 0.115 nan 8.230 nan 0.000 0.449 120 K N 0.334 120.574 120.400 -0.268 0.000 2.044 120 K HA -0.266 4.045 4.320 -0.015 0.000 0.210 120 K C 1.661 178.238 176.600 -0.037 0.000 1.049 120 K CA 2.133 58.389 56.287 -0.053 0.000 0.927 120 K CB -0.214 32.300 32.500 0.024 0.000 0.713 120 K HN 0.207 nan 8.250 nan 0.000 0.443 121 D N 0.214 120.575 120.400 -0.065 0.000 2.178 121 D HA -0.109 4.522 4.640 -0.015 0.000 0.202 121 D C 1.677 177.992 176.300 0.025 0.000 0.974 121 D CA 0.544 54.540 54.000 -0.007 0.000 0.841 121 D CB 0.278 41.066 40.800 -0.021 0.000 0.953 121 D HN -0.094 nan 8.370 nan 0.000 0.478 122 V N -0.001 119.866 119.914 -0.078 0.000 2.261 122 V HA -0.233 3.878 4.120 -0.015 0.000 0.246 122 V C 2.086 178.312 176.094 0.222 0.000 1.047 122 V CA 1.602 63.928 62.300 0.043 0.000 1.015 122 V CB -0.774 30.930 31.823 -0.199 0.000 0.642 122 V HN 0.307 nan 8.190 nan 0.000 0.446 123 F N 0.272 120.300 119.950 0.130 0.000 2.161 123 F HA -0.221 4.298 4.527 -0.015 0.000 0.300 123 F C 2.611 178.474 175.800 0.104 0.000 1.089 123 F CA 1.739 59.796 58.000 0.094 0.000 1.282 123 F CB -0.203 38.809 39.000 0.020 0.000 1.010 123 F HN 0.207 nan 8.300 nan 0.000 0.485 124 E N -0.022 120.336 120.200 0.263 0.000 2.047 124 E HA -0.279 4.062 4.350 -0.015 0.000 0.191 124 E C 2.119 178.782 176.600 0.105 0.000 0.987 124 E CA 1.303 57.796 56.400 0.155 0.000 0.799 124 E CB -0.364 29.403 29.700 0.113 0.000 0.752 124 E HN 0.495 nan 8.360 nan 0.000 0.449 125 Y N -0.382 119.920 120.300 0.004 0.000 2.145 125 Y HA -0.198 4.343 4.550 -0.015 0.000 0.286 125 Y C 1.352 177.127 175.900 -0.208 0.000 1.145 125 Y CA 1.851 59.860 58.100 -0.151 0.000 1.148 125 Y CB -0.501 37.783 38.460 -0.295 0.000 0.981 125 Y HN 0.114 nan 8.280 nan 0.000 0.507 126 W N 1.130 122.375 121.300 -0.091 0.000 2.961 126 W HA 0.012 4.663 4.660 -0.015 0.000 0.240 126 W C 0.496 176.930 176.519 -0.141 0.000 1.305 126 W CA 0.334 57.576 57.345 -0.171 0.000 1.465 126 W CB -0.830 28.618 29.460 -0.019 0.000 1.135 126 W HN 0.030 nan 8.180 nan 0.000 0.688 127 N N 0.903 119.624 118.700 0.036 0.000 2.414 127 N HA 0.162 4.893 4.740 -0.015 0.000 0.268 127 N C 1.174 176.670 175.510 -0.024 0.000 1.286 127 N CA 1.788 54.855 53.050 0.027 0.000 0.896 127 N CB 0.352 38.846 38.487 0.012 0.000 1.093 127 N HN 0.239 nan 8.380 nan 0.000 0.480 128 G N 3.271 112.082 108.800 0.017 0.000 2.179 128 G HA2 -0.310 3.641 3.960 -0.015 0.000 0.260 128 G HA3 -0.310 3.641 3.960 -0.015 0.000 0.260 128 G C 0.565 175.466 174.900 0.002 0.000 0.977 128 G CA 0.623 45.724 45.100 0.001 0.000 0.641 128 G HN 0.653 nan 8.290 nan 0.000 0.533 129 K N 0.654 121.071 120.400 0.029 0.000 2.414 129 K HA 0.247 4.558 4.320 -0.015 0.000 0.204 129 K C 1.188 177.922 176.600 0.223 0.000 1.026 129 K CA 0.587 56.915 56.287 0.068 0.000 1.108 129 K CB 0.725 33.163 32.500 -0.104 0.000 0.855 129 K HN 0.541 nan 8.250 nan 0.000 0.517 130 T N -1.990 112.665 114.554 0.169 0.000 2.881 130 T HA 0.063 4.404 4.350 -0.015 0.000 0.278 130 T C 1.681 176.401 174.700 0.033 0.000 0.982 130 T CA -0.362 61.797 62.100 0.098 0.000 0.989 130 T CB 1.434 70.321 68.868 0.032 0.000 1.058 130 T HN 0.120 nan 8.240 nan 0.000 0.529 131 T N -1.055 113.490 114.554 -0.016 0.000 2.821 131 T HA -0.141 4.201 4.350 -0.015 0.000 0.267 131 T C 2.280 176.903 174.700 -0.128 0.000 1.046 131 T CA 1.347 63.406 62.100 -0.068 0.000 1.139 131 T CB -1.119 67.623 68.868 -0.210 0.000 0.871 131 T HN 0.784 nan 8.240 nan 0.000 0.454 132 S N 2.173 117.724 115.700 -0.247 0.000 2.370 132 S HA -0.192 4.269 4.470 -0.015 0.000 0.226 132 S C 1.985 176.428 174.600 -0.261 0.000 1.033 132 S CA 1.343 59.175 58.200 -0.613 0.000 1.011 132 S CB -0.671 61.957 63.200 -0.952 0.000 0.852 132 S HN 0.702 nan 8.310 nan 0.000 0.457 133 E N 0.737 120.885 120.200 -0.087 0.000 2.106 133 E HA 0.006 4.347 4.350 -0.015 0.000 0.192 133 E C 2.016 178.639 176.600 0.038 0.000 0.984 133 E CA 0.971 57.382 56.400 0.018 0.000 0.806 133 E CB -0.268 29.448 29.700 0.027 0.000 0.750 133 E HN 0.446 nan 8.360 nan 0.000 0.458 134 L N 0.768 122.010 121.223 0.032 0.000 2.109 134 L HA -0.010 4.321 4.340 -0.015 0.000 0.207 134 L C 2.130 179.079 176.870 0.132 0.000 1.086 134 L CA 1.603 56.465 54.840 0.037 0.000 0.760 134 L CB -0.477 41.629 42.059 0.078 0.000 0.910 134 L HN 0.025 nan 8.230 nan 0.000 0.437 135 A N -1.304 121.629 122.820 0.190 0.000 1.883 135 A HA -0.217 4.094 4.320 -0.015 0.000 0.217 135 A C 2.278 180.042 177.584 0.302 0.000 1.186 135 A CA 2.383 54.602 52.037 0.304 0.000 0.624 135 A CB -1.267 17.924 19.000 0.319 0.000 0.822 135 A HN 0.481 nan 8.150 nan 0.000 0.444 136 T N 0.090 114.814 114.554 0.282 0.000 2.788 136 T HA -0.109 4.232 4.350 -0.015 0.000 0.268 136 T C 2.215 176.994 174.700 0.132 0.000 1.044 136 T CA 1.684 63.915 62.100 0.219 0.000 1.139 136 T CB -0.310 68.688 68.868 0.217 0.000 0.867 136 T HN 0.485 nan 8.240 nan 0.000 0.454 137 S N 0.148 115.889 115.700 0.068 0.000 2.399 137 S HA -0.054 4.407 4.470 -0.015 0.000 0.231 137 S C 1.643 176.225 174.600 -0.030 0.000 1.022 137 S CA 0.929 59.110 58.200 -0.031 0.000 0.983 137 S CB -0.410 62.702 63.200 -0.147 0.000 0.803 137 S HN 0.611 nan 8.310 nan 0.000 0.480 138 Y N 0.878 121.227 120.300 0.081 0.000 2.457 138 Y HA 0.173 4.714 4.550 -0.015 0.000 0.292 138 Y C 1.089 177.035 175.900 0.076 0.000 1.125 138 Y CA -0.015 58.130 58.100 0.075 0.000 1.254 138 Y CB -0.087 38.422 38.460 0.083 0.000 1.012 138 Y HN 0.184 nan 8.280 nan 0.000 0.555 139 M N 0.630 120.369 119.600 0.233 0.000 2.242 139 M HA 0.085 4.557 4.480 -0.015 0.000 0.344 139 M C 0.725 177.099 176.300 0.124 0.000 1.140 139 M CA -0.111 55.291 55.300 0.169 0.000 1.160 139 M CB 0.753 33.442 32.600 0.148 0.000 1.491 139 M HN 0.100 nan 8.290 nan 0.000 0.459 140 T N -1.841 112.780 114.554 0.111 0.000 2.788 140 T HA 0.134 4.475 4.350 -0.015 0.000 0.287 140 T C 0.833 175.568 174.700 0.060 0.000 1.007 140 T CA -0.670 61.480 62.100 0.085 0.000 1.005 140 T CB 1.099 70.021 68.868 0.091 0.000 1.012 140 T HN 0.719 nan 8.240 nan 0.000 0.530 141 E N 0.123 120.348 120.200 0.043 0.000 2.106 141 E HA -0.144 4.197 4.350 -0.015 0.000 0.192 141 E C 2.036 178.635 176.600 -0.002 0.000 0.984 141 E CA 1.695 58.108 56.400 0.022 0.000 0.806 141 E CB -0.353 29.360 29.700 0.021 0.000 0.750 141 E HN 0.887 nan 8.360 nan 0.000 0.458 142 E N -1.001 119.197 120.200 -0.003 0.000 2.110 142 E HA -0.166 4.175 4.350 -0.015 0.000 0.193 142 E C 1.590 178.046 176.600 -0.239 0.000 0.988 142 E CA 1.681 58.037 56.400 -0.074 0.000 0.804 142 E CB -0.079 29.621 29.700 -0.001 0.000 0.745 142 E HN 0.244 nan 8.360 nan 0.000 0.458 143 T N 0.315 114.802 114.554 -0.111 0.000 2.777 143 T HA -0.069 4.272 4.350 -0.015 0.000 0.266 143 T C 1.774 176.463 174.700 -0.019 0.000 1.040 143 T CA 1.125 63.193 62.100 -0.054 0.000 1.141 143 T CB -0.141 68.829 68.868 0.169 0.000 0.868 143 T HN 0.180 nan 8.240 nan 0.000 0.444 144 R N 1.015 121.513 120.500 -0.004 0.000 2.105 144 R HA -0.073 4.258 4.340 -0.015 0.000 0.239 144 R C 2.516 178.790 176.300 -0.043 0.000 1.135 144 R CA 1.410 57.504 56.100 -0.009 0.000 0.967 144 R CB -0.170 30.133 30.300 0.005 0.000 0.861 144 R HN 0.545 nan 8.270 nan 0.000 0.442 145 E N 0.339 120.507 120.200 -0.053 0.000 2.072 145 E HA -0.146 4.195 4.350 -0.015 0.000 0.191 145 E C 2.081 178.650 176.600 -0.051 0.000 0.985 145 E CA 1.059 57.429 56.400 -0.050 0.000 0.801 145 E CB -0.108 29.569 29.700 -0.037 0.000 0.750 145 E HN 0.366 nan 8.360 nan 0.000 0.452 146 A N 1.099 123.878 122.820 -0.068 0.000 1.933 146 A HA -0.132 4.179 4.320 -0.015 0.000 0.218 146 A C 2.463 179.955 177.584 -0.152 0.000 1.175 146 A CA 1.040 53.102 52.037 0.041 0.000 0.628 146 A CB -0.546 18.444 19.000 -0.017 0.000 0.814 146 A HN 0.115 nan 8.150 nan 0.000 0.444 147 V N 0.945 120.739 119.914 -0.200 0.000 2.626 147 V HA -0.146 3.965 4.120 -0.015 0.000 0.252 147 V C 1.056 176.912 176.094 -0.397 0.000 1.067 147 V CA 1.674 63.703 62.300 -0.450 0.000 1.081 147 V CB -0.699 31.048 31.823 -0.128 0.000 0.686 147 V HN 0.572 nan 8.190 nan 0.000 0.468 148 N N -1.363 117.201 118.700 -0.226 0.000 2.321 148 N HA 0.105 4.837 4.740 -0.015 0.000 0.242 148 N C 0.565 175.981 175.510 -0.158 0.000 1.141 148 N CA 0.127 53.079 53.050 -0.163 0.000 0.864 148 N CB 0.551 38.983 38.487 -0.091 0.000 1.100 148 N HN 0.367 nan 8.380 nan 0.000 0.510 149 C N 0.428 119.602 119.300 -0.210 0.000 2.693 149 C HA 0.124 4.575 4.460 -0.015 0.000 0.286 149 C C 0.433 175.253 174.990 -0.282 0.000 1.277 149 C CA -0.442 58.467 59.018 -0.182 0.000 1.705 149 C CB -1.056 26.646 27.740 -0.062 0.000 1.879 149 C HN 0.372 nan 8.230 nan 0.000 0.607 150 D N -0.213 120.003 120.400 -0.306 0.000 2.800 150 D HA -0.124 4.508 4.640 -0.015 0.000 0.232 150 D C 0.789 176.783 176.300 -0.510 0.000 1.137 150 D CA 0.866 54.661 54.000 -0.341 0.000 0.718 150 D CB -1.177 39.453 40.800 -0.285 0.000 1.084 150 D HN 0.353 nan 8.370 nan 0.000 0.432 151 V N -1.279 118.270 119.914 -0.608 0.000 3.013 151 V HA 0.238 4.349 4.120 -0.015 0.000 0.238 151 V C 0.524 176.194 176.094 -0.708 0.000 1.161 151 V CA 1.241 63.075 62.300 -0.776 0.000 1.170 151 V CB 0.157 31.406 31.823 -0.956 0.000 0.917 151 V HN 0.285 nan 8.190 nan 0.000 0.478 152 F N -1.729 117.975 119.950 -0.410 0.000 2.685 152 F HA 0.785 5.303 4.527 -0.014 0.000 0.315 152 F C -0.867 174.985 175.800 0.087 0.000 1.126 152 F CA -0.802 57.111 58.000 -0.144 0.000 0.950 152 F CB 1.660 40.663 39.000 0.004 0.000 1.360 152 F HN -0.244 nan 8.300 nan 0.000 0.469 153 T N 0.739 115.605 114.554 0.519 0.000 2.916 153 T HA 0.556 4.897 4.350 -0.015 0.000 0.298 153 T C -0.613 174.334 174.700 0.411 0.000 1.031 153 T CA -0.109 62.223 62.100 0.386 0.000 0.993 153 T CB 1.474 70.573 68.868 0.386 0.000 1.045 153 T HN 1.471 nan 8.240 nan 0.000 0.454 154 V N 2.556 122.655 119.914 0.309 0.000 3.006 154 V HA 0.531 4.643 4.120 -0.015 0.000 0.357 154 V C 1.728 177.911 176.094 0.148 0.000 1.377 154 V CA 0.547 62.969 62.300 0.204 0.000 1.198 154 V CB -0.065 31.899 31.823 0.234 0.000 1.216 154 V HN 0.872 nan 8.190 nan 0.000 0.520 155 G N 1.315 110.252 108.800 0.228 0.000 2.432 155 G HA2 -0.273 3.678 3.960 -0.015 0.000 0.219 155 G HA3 -0.273 3.678 3.960 -0.015 0.000 0.219 155 G C 1.281 176.391 174.900 0.349 0.000 1.135 155 G CA 1.081 46.379 45.100 0.330 0.000 0.767 155 G HN 0.532 nan 8.290 nan 0.000 0.550 156 N N 0.554 119.387 118.700 0.222 0.000 2.021 156 N HA -0.183 4.548 4.740 -0.015 0.000 0.198 156 N C 1.740 177.278 175.510 0.046 0.000 1.041 156 N CA 1.536 54.642 53.050 0.094 0.000 0.862 156 N CB -0.546 37.821 38.487 -0.201 0.000 1.048 156 N HN 0.571 nan 8.380 nan 0.000 0.427 157 Y N -2.020 118.199 120.300 -0.134 0.000 2.490 157 Y HA -0.016 4.525 4.550 -0.015 0.000 0.281 157 Y C 1.424 177.361 175.900 0.062 0.000 1.174 157 Y CA -0.398 57.563 58.100 -0.232 0.000 1.295 157 Y CB 0.058 38.141 38.460 -0.629 0.000 1.062 157 Y HN 0.162 nan 8.280 nan 0.000 0.522 158 Y N -0.618 119.733 120.300 0.084 0.000 2.201 158 Y HA -0.187 4.354 4.550 -0.015 0.000 0.292 158 Y C 1.487 177.346 175.900 -0.069 0.000 1.119 158 Y CA 1.301 59.381 58.100 -0.034 0.000 1.127 158 Y CB -0.561 37.763 38.460 -0.226 0.000 1.019 158 Y HN 0.045 nan 8.280 nan 0.000 0.514 159 Y N 0.114 120.525 120.300 0.185 0.000 2.475 159 Y HA 0.063 4.604 4.550 -0.014 0.000 0.289 159 Y C 0.775 176.741 175.900 0.110 0.000 1.121 159 Y CA 0.411 58.570 58.100 0.099 0.000 1.257 159 Y CB 0.126 38.599 38.460 0.023 0.000 1.026 159 Y HN 0.055 nan 8.280 nan 0.000 0.555 160 N N -1.466 117.316 118.700 0.137 0.000 3.229 160 N HA 0.278 5.009 4.740 -0.015 0.000 0.315 160 N C -0.191 174.927 175.510 -0.653 0.000 1.520 160 N CA -0.300 52.687 53.050 -0.105 0.000 0.769 160 N CB 0.587 39.031 38.487 -0.072 0.000 1.766 160 N HN 0.074 nan 8.380 nan 0.000 0.618 161 G N -0.173 107.955 108.800 -1.121 0.000 2.667 161 G HA2 0.313 4.265 3.960 -0.015 0.000 0.250 161 G HA3 0.313 4.265 3.960 -0.015 0.000 0.250 161 G C 0.989 175.417 174.900 -0.787 0.000 1.212 161 G CA -0.324 44.013 45.100 -1.270 0.000 0.874 161 G HN 0.202 nan 8.290 nan 0.000 0.561 162 V N 1.591 120.966 119.914 -0.900 0.000 2.278 162 V HA 0.294 4.405 4.120 -0.015 0.000 0.238 162 V C 2.461 178.187 176.094 -0.613 0.000 1.039 162 V CA 2.231 63.814 62.300 -1.195 0.000 1.017 162 V CB -1.565 29.463 31.823 -1.325 0.000 0.657 162 V HN 1.637 nan 8.190 nan 0.000 0.462 163 G N -0.807 107.763 108.800 -0.384 0.000 2.561 163 G HA2 -0.365 3.586 3.960 -0.015 0.000 0.289 163 G HA3 -0.365 3.586 3.960 -0.015 0.000 0.289 163 G C 0.039 174.931 174.900 -0.014 0.000 1.169 163 G CA 0.611 45.606 45.100 -0.174 0.000 0.980 163 G HN 1.110 nan 8.290 nan 0.000 0.550 164 H N -1.680 117.334 119.070 -0.094 0.000 2.591 164 H HA 0.136 4.684 4.556 -0.014 0.000 0.325 164 H C 0.258 175.672 175.328 0.144 0.000 1.096 164 H CA 1.695 57.780 56.048 0.062 0.000 1.108 164 H CB -1.282 28.548 29.762 0.113 0.000 1.590 164 H HN 1.785 nan 8.280 nan 0.000 0.399 165 V N 0.238 120.244 119.914 0.154 0.000 3.147 165 V HA 0.645 4.756 4.120 -0.015 0.000 0.299 165 V C -1.028 175.154 176.094 0.148 0.000 1.302 165 V CA 0.002 62.399 62.300 0.160 0.000 1.015 165 V CB 2.766 34.644 31.823 0.091 0.000 1.086 165 V HN 0.358 nan 8.190 nan 0.000 0.437 166 S N 4.257 120.059 115.700 0.170 0.000 2.669 166 S HA 0.624 5.085 4.470 -0.015 0.000 0.315 166 S C -0.367 174.298 174.600 0.109 0.000 1.106 166 S CA -0.038 58.304 58.200 0.236 0.000 1.107 166 S CB 0.729 64.102 63.200 0.289 0.000 0.990 166 S HN 1.715 nan 8.310 nan 0.000 0.471 167 V N 2.054 121.898 119.914 -0.115 0.000 3.546 167 V HA 0.466 4.577 4.120 -0.015 0.000 0.296 167 V C 0.697 176.647 176.094 -0.240 0.000 1.082 167 V CA -0.370 61.767 62.300 -0.270 0.000 1.086 167 V CB 0.415 31.942 31.823 -0.493 0.000 1.174 167 V HN 0.763 nan 8.190 nan 0.000 0.464 168 D N -0.157 120.123 120.400 -0.200 0.000 2.688 168 D HA 0.158 4.789 4.640 -0.015 0.000 0.228 168 D C 0.817 177.018 176.300 -0.164 0.000 1.116 168 D CA 0.145 54.081 54.000 -0.107 0.000 1.023 168 D CB -0.657 40.105 40.800 -0.062 0.000 1.100 168 D HN 0.652 nan 8.370 nan 0.000 0.487 169 Y N 0.501 120.677 120.300 -0.207 0.000 2.151 169 Y HA -0.169 4.372 4.550 -0.015 0.000 0.284 169 Y C 2.594 178.304 175.900 -0.317 0.000 1.166 169 Y CA 1.433 59.354 58.100 -0.298 0.000 1.163 169 Y CB -0.347 37.806 38.460 -0.512 0.000 0.974 169 Y HN 0.362 nan 8.280 nan 0.000 0.511 170 G N -0.213 108.467 108.800 -0.200 0.000 2.442 170 G HA2 -0.324 3.627 3.960 -0.015 0.000 0.219 170 G HA3 -0.324 3.627 3.960 -0.015 0.000 0.219 170 G C 1.663 176.594 174.900 0.052 0.000 1.141 170 G CA 1.178 46.273 45.100 -0.007 0.000 0.763 170 G HN 0.356 nan 8.290 nan 0.000 0.554 171 K N 0.020 120.425 120.400 0.009 0.000 2.025 171 K HA -0.019 4.292 4.320 -0.015 0.000 0.207 171 K C 2.545 179.137 176.600 -0.013 0.000 1.049 171 K CA 1.251 57.544 56.287 0.009 0.000 0.933 171 K CB -0.200 32.293 32.500 -0.011 0.000 0.714 171 K HN 0.196 nan 8.250 nan 0.000 0.438 172 V N 1.832 121.710 119.914 -0.060 0.000 2.515 172 V HA -0.212 3.900 4.120 -0.015 0.000 0.250 172 V C 2.258 178.283 176.094 -0.114 0.000 1.058 172 V CA 1.333 63.560 62.300 -0.121 0.000 1.064 172 V CB -0.359 31.352 31.823 -0.185 0.000 0.675 172 V HN 0.309 nan 8.190 nan 0.000 0.461 173 L N -0.351 120.846 121.223 -0.043 0.000 2.131 173 L HA -0.154 4.178 4.340 -0.015 0.000 0.210 173 L C 2.709 179.617 176.870 0.063 0.000 1.092 173 L CA 1.630 56.443 54.840 -0.045 0.000 0.759 173 L CB -0.488 41.524 42.059 -0.078 0.000 0.903 173 L HN 0.273 nan 8.230 nan 0.000 0.435 174 R N 0.145 120.719 120.500 0.122 0.000 2.062 174 R HA -0.096 4.235 4.340 -0.015 0.000 0.226 174 R C 2.024 178.368 176.300 0.072 0.000 1.125 174 R CA 1.712 57.902 56.100 0.149 0.000 0.966 174 R CB 0.096 30.471 30.300 0.126 0.000 0.861 174 R HN 0.342 nan 8.270 nan 0.000 0.433 175 V N -2.281 117.648 119.914 0.025 0.000 3.660 175 V HA 0.406 4.517 4.120 -0.015 0.000 0.276 175 V C 0.746 176.828 176.094 -0.020 0.000 1.317 175 V CA 0.315 62.621 62.300 0.010 0.000 1.097 175 V CB -0.240 31.590 31.823 0.011 0.000 0.863 175 V HN 0.532 nan 8.190 nan 0.000 0.438 176 G N 0.403 109.151 108.800 -0.087 0.000 2.877 176 G HA2 -0.278 3.673 3.960 -0.015 0.000 0.279 176 G HA3 -0.278 3.673 3.960 -0.015 0.000 0.279 176 G C -0.070 174.742 174.900 -0.147 0.000 1.431 176 G CA 0.225 45.215 45.100 -0.183 0.000 0.883 176 G HN 0.375 nan 8.290 nan 0.000 0.547 177 F N 0.188 120.168 119.950 0.049 0.000 2.269 177 F HA -0.111 4.407 4.527 -0.015 0.000 0.301 177 F C 2.673 178.492 175.800 0.032 0.000 1.082 177 F CA 1.280 59.310 58.000 0.049 0.000 1.360 177 F CB -0.095 38.946 39.000 0.068 0.000 1.041 177 F HN 0.392 nan 8.300 nan 0.000 0.512 178 N N 0.485 119.289 118.700 0.174 0.000 2.188 178 N HA -0.108 4.623 4.740 -0.015 0.000 0.184 178 N C 2.223 177.778 175.510 0.074 0.000 1.018 178 N CA 1.288 54.403 53.050 0.108 0.000 0.858 178 N CB -0.980 37.553 38.487 0.076 0.000 0.989 178 N HN 0.336 nan 8.380 nan 0.000 0.426 179 G N 1.660 110.493 108.800 0.055 0.000 2.422 179 G HA2 -0.147 3.804 3.960 -0.015 0.000 0.218 179 G HA3 -0.147 3.804 3.960 -0.015 0.000 0.218 179 G C 1.475 176.398 174.900 0.039 0.000 1.146 179 G CA 0.296 45.417 45.100 0.036 0.000 0.769 179 G HN 0.162 nan 8.290 nan 0.000 0.547 180 I N 0.998 121.601 120.570 0.055 0.000 2.252 180 I HA -0.047 4.114 4.170 -0.015 0.000 0.245 180 I C 2.795 178.940 176.117 0.045 0.000 1.102 180 I CA 0.720 62.050 61.300 0.049 0.000 1.385 180 I CB -0.971 37.075 38.000 0.077 0.000 1.064 180 I HN 0.179 nan 8.210 nan 0.000 0.414 181 I N 1.110 121.719 120.570 0.065 0.000 2.163 181 I HA -0.324 3.837 4.170 -0.015 0.000 0.243 181 I C 2.203 178.336 176.117 0.026 0.000 1.085 181 I CA 1.270 62.594 61.300 0.041 0.000 1.347 181 I CB -0.484 37.546 38.000 0.051 0.000 1.044 181 I HN 0.273 nan 8.210 nan 0.000 0.408 182 N N 0.598 119.316 118.700 0.031 0.000 2.223 182 N HA -0.232 4.499 4.740 -0.015 0.000 0.185 182 N C 1.744 177.265 175.510 0.018 0.000 1.016 182 N CA 1.243 54.306 53.050 0.022 0.000 0.863 182 N CB -0.274 38.228 38.487 0.024 0.000 0.983 182 N HN 0.496 nan 8.380 nan 0.000 0.429 183 E N 0.644 120.856 120.200 0.021 0.000 2.107 183 E HA -0.033 4.309 4.350 -0.015 0.000 0.191 183 E C 1.806 178.419 176.600 0.021 0.000 0.982 183 E CA 0.903 57.316 56.400 0.020 0.000 0.809 183 E CB 0.005 29.718 29.700 0.021 0.000 0.756 183 E HN 0.292 nan 8.360 nan 0.000 0.459 184 A N 1.184 124.013 122.820 0.015 0.000 1.930 184 A HA -0.164 4.147 4.320 -0.015 0.000 0.217 184 A C 2.031 179.620 177.584 0.009 0.000 1.175 184 A CA 1.486 53.528 52.037 0.008 0.000 0.627 184 A CB -0.303 18.683 19.000 -0.025 0.000 0.815 184 A HN 0.138 nan 8.150 nan 0.000 0.443 185 K N -0.312 120.092 120.400 0.005 0.000 2.097 185 K HA -0.122 4.190 4.320 -0.015 0.000 0.205 185 K C 1.903 178.505 176.600 0.004 0.000 1.050 185 K CA 1.475 57.764 56.287 0.003 0.000 0.938 185 K CB -0.126 32.375 32.500 0.003 0.000 0.718 185 K HN 0.631 nan 8.250 nan 0.000 0.442 186 E N 0.438 120.643 120.200 0.008 0.000 2.072 186 E HA -0.167 4.174 4.350 -0.015 0.000 0.191 186 E C 2.163 178.767 176.600 0.006 0.000 0.985 186 E CA 0.683 57.087 56.400 0.005 0.000 0.801 186 E CB 0.109 29.814 29.700 0.009 0.000 0.750 186 E HN 0.191 nan 8.360 nan 0.000 0.452 187 Q N 0.458 120.270 119.800 0.019 0.000 2.124 187 Q HA -0.131 4.200 4.340 -0.015 0.000 0.202 187 Q C 2.266 178.279 176.000 0.021 0.000 0.977 187 Q CA 0.786 56.608 55.803 0.032 0.000 0.850 187 Q CB -0.252 28.524 28.738 0.064 0.000 0.901 187 Q HN 0.217 nan 8.270 nan 0.000 0.429 188 L N 1.113 122.347 121.223 0.018 0.000 2.079 188 L HA -0.194 4.137 4.340 -0.015 0.000 0.210 188 L C 2.199 179.050 176.870 -0.032 0.000 1.081 188 L CA 1.844 56.687 54.840 0.005 0.000 0.752 188 L CB -0.689 41.373 42.059 0.005 0.000 0.896 188 L HN 0.165 nan 8.230 nan 0.000 0.433 189 E N -0.456 119.725 120.200 -0.030 0.000 2.107 189 E HA -0.166 4.175 4.350 -0.015 0.000 0.191 189 E C 2.132 178.690 176.600 -0.071 0.000 0.982 189 E CA 1.225 57.597 56.400 -0.046 0.000 0.809 189 E CB 0.010 29.692 29.700 -0.029 0.000 0.756 189 E HN 0.381 nan 8.360 nan 0.000 0.459 190 K N -0.062 120.302 120.400 -0.060 0.000 2.211 190 K HA -0.024 4.287 4.320 -0.015 0.000 0.203 190 K C 1.271 177.773 176.600 -0.163 0.000 1.050 190 K CA 1.043 57.285 56.287 -0.076 0.000 0.945 190 K CB 0.007 32.488 32.500 -0.031 0.000 0.732 190 K HN 0.056 nan 8.250 nan 0.000 0.451 191 N N 1.476 120.054 118.700 -0.202 0.000 2.467 191 N HA -0.048 4.683 4.740 -0.015 0.000 0.184 191 N C -0.246 174.884 175.510 -0.633 0.000 1.106 191 N CA 0.232 52.984 53.050 -0.496 0.000 0.892 191 N CB -0.074 38.289 38.487 -0.207 0.000 0.969 191 N HN 0.255 nan 8.380 nan 0.000 0.454 192 R N 0.691 120.997 120.500 -0.323 0.000 2.501 192 R HA 0.155 4.487 4.340 -0.015 0.000 0.319 192 R C -0.047 176.067 176.300 -0.309 0.000 0.913 192 R CA 0.274 56.229 56.100 -0.241 0.000 1.104 192 R CB 0.022 30.240 30.300 -0.136 0.000 0.901 192 R HN -0.069 nan 8.270 nan 0.000 0.407 193 S N 2.737 118.277 115.700 -0.267 0.000 2.615 193 S HA 0.229 4.690 4.470 -0.015 0.000 0.268 193 S C 0.282 174.871 174.600 -0.019 0.000 1.146 193 S CA -0.764 57.327 58.200 -0.182 0.000 0.818 193 S CB 0.907 63.896 63.200 -0.352 0.000 1.111 193 S HN 0.746 nan 8.310 nan 0.000 0.465 194 I N -0.640 119.951 120.570 0.035 0.000 3.883 194 I HA 0.419 4.580 4.170 -0.015 0.000 0.326 194 I C 0.399 176.582 176.117 0.111 0.000 1.283 194 I CA -0.167 61.169 61.300 0.061 0.000 1.161 194 I CB -0.117 37.904 38.000 0.035 0.000 1.012 194 I HN 0.422 nan 8.210 nan 0.000 0.421 195 D N 3.505 124.025 120.400 0.201 0.000 2.417 195 D HA 0.092 4.724 4.640 -0.015 0.000 0.250 195 D C -1.481 174.929 176.300 0.183 0.000 1.166 195 D CA -1.686 52.439 54.000 0.210 0.000 0.881 195 D CB 1.729 42.724 40.800 0.324 0.000 1.164 195 D HN 0.019 nan 8.370 nan 0.000 0.467 196 P HA -0.094 nan 4.420 nan 0.000 0.219 196 P C 0.626 177.925 177.300 -0.002 0.000 1.146 196 P CA 0.682 63.807 63.100 0.041 0.000 0.808 196 P CB 0.323 32.031 31.700 0.013 0.000 0.779 197 D N -1.631 118.712 120.400 -0.095 0.000 2.309 197 D HA -0.089 4.542 4.640 -0.015 0.000 0.212 197 D C 1.327 177.454 176.300 -0.289 0.000 0.968 197 D CA 0.927 54.787 54.000 -0.233 0.000 0.882 197 D CB -0.469 40.106 40.800 -0.374 0.000 0.918 197 D HN 0.285 nan 8.370 nan 0.000 0.503 198 F N 0.248 120.201 119.950 0.005 0.000 2.710 198 F HA 0.139 4.657 4.527 -0.014 0.000 0.298 198 F C 2.195 178.008 175.800 0.020 0.000 1.137 198 F CA -0.109 57.898 58.000 0.013 0.000 1.444 198 F CB -0.025 38.981 39.000 0.011 0.000 1.111 198 F HN -0.100 nan 8.300 nan 0.000 0.580 199 I N 0.289 120.945 120.570 0.143 0.000 2.142 199 I HA -0.322 3.839 4.170 -0.015 0.000 0.240 199 I C 2.243 178.409 176.117 0.082 0.000 1.078 199 I CA 1.597 62.955 61.300 0.097 0.000 1.343 199 I CB -0.390 37.646 38.000 0.060 0.000 1.046 199 I HN 0.040 nan 8.210 nan 0.000 0.405 200 K N 0.737 121.169 120.400 0.054 0.000 2.148 200 K HA -0.136 4.176 4.320 -0.015 0.000 0.204 200 K C 2.089 178.751 176.600 0.102 0.000 1.050 200 K CA 1.077 57.399 56.287 0.057 0.000 0.942 200 K CB -0.036 32.475 32.500 0.018 0.000 0.724 200 K HN 0.287 nan 8.250 nan 0.000 0.446 201 K N 0.834 121.296 120.400 0.104 0.000 2.097 201 K HA -0.151 4.160 4.320 -0.015 0.000 0.205 201 K C 2.107 178.841 176.600 0.224 0.000 1.050 201 K CA 0.910 57.300 56.287 0.172 0.000 0.938 201 K CB 0.031 32.636 32.500 0.174 0.000 0.718 201 K HN 0.143 nan 8.250 nan 0.000 0.442 202 E N 1.622 121.929 120.200 0.178 0.000 2.077 202 E HA -0.205 4.136 4.350 -0.015 0.000 0.193 202 E C 1.588 178.247 176.600 0.097 0.000 0.989 202 E CA 1.300 57.777 56.400 0.129 0.000 0.800 202 E CB 0.241 30.003 29.700 0.104 0.000 0.746 202 E HN 0.052 nan 8.360 nan 0.000 0.452 203 K N 0.254 120.716 120.400 0.103 0.000 2.097 203 K HA -0.126 4.185 4.320 -0.015 0.000 0.205 203 K C 2.054 178.708 176.600 0.090 0.000 1.050 203 K CA 0.780 57.113 56.287 0.077 0.000 0.938 203 K CB -0.901 31.643 32.500 0.075 0.000 0.718 203 K HN 0.201 nan 8.250 nan 0.000 0.442 204 F N 1.851 121.817 119.950 0.026 0.000 2.102 204 F HA -0.116 4.403 4.527 -0.014 0.000 0.298 204 F C 1.919 177.736 175.800 0.028 0.000 1.105 204 F CA 1.184 59.200 58.000 0.027 0.000 1.239 204 F CB -0.338 38.676 39.000 0.023 0.000 0.991 204 F HN -0.137 nan 8.300 nan 0.000 0.474 205 L N 0.148 121.322 121.223 -0.081 0.000 2.083 205 L HA -0.241 4.090 4.340 -0.015 0.000 0.209 205 L C 1.960 178.726 176.870 -0.173 0.000 1.083 205 L CA 1.884 56.624 54.840 -0.167 0.000 0.752 205 L CB -0.916 41.163 42.059 0.032 0.000 0.899 205 L HN 0.189 nan 8.230 nan 0.000 0.433 206 N N -1.030 117.613 118.700 -0.095 0.000 2.396 206 N HA -0.117 4.614 4.740 -0.015 0.000 0.180 206 N C 1.873 177.319 175.510 -0.106 0.000 1.028 206 N CA 0.927 53.932 53.050 -0.075 0.000 0.893 206 N CB 0.126 38.592 38.487 -0.034 0.000 0.967 206 N HN 0.133 nan 8.380 nan 0.000 0.440 207 S N -0.420 115.187 115.700 -0.156 0.000 2.387 207 S HA -0.020 4.441 4.470 -0.015 0.000 0.226 207 S C 2.038 176.528 174.600 -0.184 0.000 1.026 207 S CA 0.415 58.527 58.200 -0.146 0.000 0.972 207 S CB -0.024 63.099 63.200 -0.128 0.000 0.814 207 S HN 0.089 nan 8.310 nan 0.000 0.477 208 V N 2.231 121.950 119.914 -0.326 0.000 2.343 208 V HA -0.160 3.952 4.120 -0.015 0.000 0.247 208 V C 2.023 178.052 176.094 -0.108 0.000 1.051 208 V CA 1.498 63.642 62.300 -0.260 0.000 1.036 208 V CB -0.604 30.998 31.823 -0.369 0.000 0.654 208 V HN 0.454 nan 8.190 nan 0.000 0.451 209 I N -0.424 120.085 120.570 -0.102 0.000 2.179 209 I HA -0.260 3.901 4.170 -0.015 0.000 0.242 209 I C 2.285 178.380 176.117 -0.038 0.000 1.088 209 I CA 1.823 63.094 61.300 -0.049 0.000 1.357 209 I CB -0.342 37.632 38.000 -0.044 0.000 1.051 209 I HN 0.227 nan 8.210 nan 0.000 0.409 210 I N 0.139 120.680 120.570 -0.049 0.000 2.226 210 I HA -0.282 3.879 4.170 -0.015 0.000 0.245 210 I C 2.627 178.716 176.117 -0.047 0.000 1.100 210 I CA 1.298 62.571 61.300 -0.044 0.000 1.374 210 I CB -0.331 37.642 38.000 -0.045 0.000 1.057 210 I HN 0.166 nan 8.210 nan 0.000 0.413 211 S N -0.045 115.635 115.700 -0.032 0.000 2.356 211 S HA -0.190 4.271 4.470 -0.015 0.000 0.223 211 S C 2.120 176.702 174.600 -0.030 0.000 1.032 211 S CA 1.448 59.639 58.200 -0.015 0.000 1.005 211 S CB -0.429 62.827 63.200 0.092 0.000 0.867 211 S HN 0.492 nan 8.310 nan 0.000 0.449 212 C N 1.721 121.041 119.300 0.033 0.000 2.435 212 C HA 0.018 4.469 4.460 -0.015 0.000 0.279 212 C C 2.532 177.455 174.990 -0.111 0.000 1.321 212 C CA 0.276 59.293 59.018 -0.001 0.000 1.752 212 C CB -1.205 26.597 27.740 0.103 0.000 1.959 212 C HN 0.624 nan 8.230 nan 0.000 0.500 213 E N 1.048 121.209 120.200 -0.066 0.000 2.150 213 E HA -0.107 4.234 4.350 -0.015 0.000 0.193 213 E C 2.305 178.841 176.600 -0.106 0.000 0.985 213 E CA 1.167 57.529 56.400 -0.063 0.000 0.814 213 E CB -0.174 29.504 29.700 -0.036 0.000 0.752 213 E HN 0.683 nan 8.360 nan 0.000 0.466 214 A N 1.402 124.140 122.820 -0.137 0.000 1.968 214 A HA 0.001 4.312 4.320 -0.015 0.000 0.217 214 A C 2.354 179.798 177.584 -0.233 0.000 1.169 214 A CA 1.309 53.253 52.037 -0.155 0.000 0.638 214 A CB -0.378 18.525 19.000 -0.161 0.000 0.812 214 A HN 0.273 nan 8.150 nan 0.000 0.446 215 A N 0.218 122.800 122.820 -0.396 0.000 1.902 215 A HA -0.072 4.239 4.320 -0.015 0.000 0.217 215 A C 2.080 179.413 177.584 -0.418 0.000 1.181 215 A CA 1.469 53.142 52.037 -0.606 0.000 0.623 215 A CB -0.587 17.688 19.000 -1.208 0.000 0.818 215 A HN 0.484 nan 8.150 nan 0.000 0.443 216 I N -0.395 119.990 120.570 -0.308 0.000 2.226 216 I HA -0.231 3.931 4.170 -0.015 0.000 0.245 216 I C 2.541 178.610 176.117 -0.079 0.000 1.100 216 I CA 1.740 62.978 61.300 -0.104 0.000 1.374 216 I CB -0.638 37.353 38.000 -0.015 0.000 1.057 216 I HN 0.257 nan 8.210 nan 0.000 0.413 217 T N -0.118 114.393 114.554 -0.072 0.000 2.746 217 T HA -0.242 4.099 4.350 -0.015 0.000 0.267 217 T C 1.786 176.479 174.700 -0.011 0.000 1.039 217 T CA 1.416 63.494 62.100 -0.037 0.000 1.142 217 T CB -0.445 68.406 68.868 -0.029 0.000 0.866 217 T HN 0.308 nan 8.240 nan 0.000 0.444 218 Y N 1.955 122.166 120.300 -0.149 0.000 2.128 218 Y HA -0.183 4.359 4.550 -0.014 0.000 0.284 218 Y C 2.335 178.192 175.900 -0.071 0.000 1.154 218 Y CA 0.786 58.828 58.100 -0.096 0.000 1.149 218 Y CB -0.729 37.651 38.460 -0.134 0.000 0.976 218 Y HN -0.020 nan 8.280 nan 0.000 0.505 219 V N 0.642 120.403 119.914 -0.255 0.000 2.343 219 V HA -0.360 3.751 4.120 -0.015 0.000 0.247 219 V C 1.890 177.869 176.094 -0.192 0.000 1.051 219 V CA 2.360 64.339 62.300 -0.535 0.000 1.036 219 V CB -0.873 30.585 31.823 -0.607 0.000 0.654 219 V HN 0.464 nan 8.190 nan 0.000 0.451 220 N N -0.457 118.177 118.700 -0.111 0.000 2.289 220 N HA -0.150 4.581 4.740 -0.015 0.000 0.184 220 N C 1.993 177.475 175.510 -0.047 0.000 1.016 220 N CA 0.814 53.835 53.050 -0.049 0.000 0.872 220 N CB -0.129 38.337 38.487 -0.036 0.000 0.973 220 N HN 0.456 nan 8.380 nan 0.000 0.433 221 R N -0.377 120.069 120.500 -0.090 0.000 2.092 221 R HA -0.096 4.235 4.340 -0.015 0.000 0.231 221 R C 1.369 177.566 176.300 -0.171 0.000 1.119 221 R CA 1.089 57.102 56.100 -0.145 0.000 0.970 221 R CB -0.244 29.926 30.300 -0.217 0.000 0.864 221 R HN 0.366 nan 8.270 nan 0.000 0.440 222 Y N 0.365 120.583 120.300 -0.137 0.000 2.314 222 Y HA -0.104 4.437 4.550 -0.015 0.000 0.293 222 Y C 2.468 178.378 175.900 0.017 0.000 1.129 222 Y CA 1.090 59.175 58.100 -0.025 0.000 1.201 222 Y CB -0.256 38.271 38.460 0.111 0.000 0.999 222 Y HN 0.107 nan 8.280 nan 0.000 0.541 223 A N 0.243 123.148 122.820 0.142 0.000 1.902 223 A HA -0.247 4.064 4.320 -0.015 0.000 0.217 223 A C 2.251 179.863 177.584 0.047 0.000 1.181 223 A CA 2.009 54.102 52.037 0.092 0.000 0.623 223 A CB -0.600 18.433 19.000 0.054 0.000 0.818 223 A HN 0.404 nan 8.150 nan 0.000 0.443 224 K N -0.345 120.061 120.400 0.010 0.000 2.025 224 K HA -0.205 4.106 4.320 -0.015 0.000 0.207 224 K C 2.155 178.746 176.600 -0.014 0.000 1.049 224 K CA 1.794 58.075 56.287 -0.009 0.000 0.933 224 K CB -0.157 32.324 32.500 -0.031 0.000 0.714 224 K HN 0.258 nan 8.250 nan 0.000 0.438 225 K N 1.009 121.385 120.400 -0.040 0.000 2.063 225 K HA -0.092 4.220 4.320 -0.015 0.000 0.208 225 K C 1.788 178.392 176.600 0.007 0.000 1.048 225 K CA 1.701 57.960 56.287 -0.048 0.000 0.928 225 K CB -0.571 31.849 32.500 -0.132 0.000 0.713 225 K HN 0.244 nan 8.250 nan 0.000 0.442 226 A N 0.831 123.682 122.820 0.051 0.000 1.883 226 A HA -0.233 4.078 4.320 -0.015 0.000 0.217 226 A C 2.189 179.803 177.584 0.049 0.000 1.186 226 A CA 2.140 54.222 52.037 0.075 0.000 0.624 226 A CB -0.643 18.422 19.000 0.108 0.000 0.822 226 A HN 0.439 nan 8.150 nan 0.000 0.444 227 K N -0.382 120.040 120.400 0.037 0.000 2.097 227 K HA -0.155 4.156 4.320 -0.015 0.000 0.205 227 K C 1.935 178.546 176.600 0.018 0.000 1.050 227 K CA 1.526 57.829 56.287 0.027 0.000 0.938 227 K CB -0.133 32.379 32.500 0.021 0.000 0.718 227 K HN 0.666 nan 8.250 nan 0.000 0.442 228 E N 0.272 120.479 120.200 0.010 0.000 2.106 228 E HA -0.170 4.171 4.350 -0.015 0.000 0.192 228 E C 1.976 178.582 176.600 0.009 0.000 0.984 228 E CA 1.138 57.540 56.400 0.004 0.000 0.806 228 E CB -0.032 29.663 29.700 -0.008 0.000 0.750 228 E HN 0.360 nan 8.360 nan 0.000 0.458 229 I N 1.068 121.648 120.570 0.016 0.000 2.439 229 I HA -0.175 3.986 4.170 -0.015 0.000 0.251 229 I C 2.512 178.644 176.117 0.025 0.000 1.139 229 I CA 0.571 61.883 61.300 0.021 0.000 1.438 229 I CB -0.228 37.790 38.000 0.031 0.000 1.085 229 I HN 0.054 nan 8.210 nan 0.000 0.427 230 A N 0.546 123.383 122.820 0.029 0.000 1.972 230 A HA -0.223 4.088 4.320 -0.015 0.000 0.219 230 A C 1.811 179.408 177.584 0.022 0.000 1.169 230 A CA 1.884 53.939 52.037 0.030 0.000 0.635 230 A CB -0.473 18.547 19.000 0.033 0.000 0.810 230 A HN 0.321 nan 8.150 nan 0.000 0.446 231 D N 0.016 120.426 120.400 0.017 0.000 2.312 231 D HA -0.042 4.589 4.640 -0.015 0.000 0.211 231 D C 0.629 176.936 176.300 0.012 0.000 0.964 231 D CA 0.644 54.652 54.000 0.013 0.000 0.877 231 D CB -0.150 40.656 40.800 0.010 0.000 0.924 231 D HN 0.366 nan 8.370 nan 0.000 0.515 232 N N -0.117 118.590 118.700 0.013 0.000 2.275 232 N HA 0.048 4.779 4.740 -0.015 0.000 0.236 232 N C -0.605 174.913 175.510 0.014 0.000 1.154 232 N CA 0.137 53.194 53.050 0.011 0.000 0.866 232 N CB 1.128 39.620 38.487 0.009 0.000 1.093 232 N HN -0.082 nan 8.380 nan 0.000 0.515 233 T N -0.175 114.389 114.554 0.017 0.000 2.772 233 T HA 0.260 4.601 4.350 -0.015 0.000 0.288 233 T C 1.110 175.819 174.700 0.016 0.000 0.994 233 T CA -0.332 61.780 62.100 0.019 0.000 0.951 233 T CB 2.016 70.899 68.868 0.024 0.000 0.933 233 T HN -0.067 nan 8.240 nan 0.000 0.447 234 S N 1.987 117.696 115.700 0.014 0.000 2.362 234 S HA -0.040 4.421 4.470 -0.015 0.000 0.221 234 S C 1.041 175.649 174.600 0.013 0.000 1.032 234 S CA 0.278 58.485 58.200 0.012 0.000 0.973 234 S CB -0.082 63.125 63.200 0.010 0.000 0.849 234 S HN 0.811 nan 8.310 nan 0.000 0.465 235 D N 1.894 122.303 120.400 0.014 0.000 2.479 235 D HA 0.056 4.687 4.640 -0.015 0.000 0.257 235 D C 1.126 177.435 176.300 0.016 0.000 1.230 235 D CA 0.304 54.313 54.000 0.015 0.000 0.912 235 D CB 0.902 41.712 40.800 0.017 0.000 1.130 235 D HN 0.205 nan 8.370 nan 0.000 0.515 236 A N 5.700 128.528 122.820 0.013 0.000 1.883 236 A HA -0.234 4.077 4.320 -0.015 0.000 0.217 236 A C 2.129 179.722 177.584 0.016 0.000 1.186 236 A CA 1.801 53.846 52.037 0.013 0.000 0.624 236 A CB -0.341 18.665 19.000 0.010 0.000 0.822 236 A HN 0.738 nan 8.150 nan 0.000 0.444 237 K N -0.959 119.450 120.400 0.015 0.000 2.009 237 K HA -0.249 4.063 4.320 -0.015 0.000 0.210 237 K C 2.337 178.954 176.600 0.028 0.000 1.049 237 K CA 1.871 58.168 56.287 0.017 0.000 0.929 237 K CB -0.186 32.322 32.500 0.013 0.000 0.714 237 K HN 0.268 nan 8.250 nan 0.000 0.440 238 R N 1.590 122.108 120.500 0.031 0.000 2.096 238 R HA -0.093 4.238 4.340 -0.015 0.000 0.235 238 R C 2.077 178.404 176.300 0.045 0.000 1.127 238 R CA 1.794 57.920 56.100 0.042 0.000 0.968 238 R CB -0.335 29.987 30.300 0.038 0.000 0.861 238 R HN 0.218 nan 8.270 nan 0.000 0.440 239 K N -0.487 119.934 120.400 0.035 0.000 2.063 239 K HA -0.109 4.203 4.320 -0.015 0.000 0.208 239 K C 1.782 178.406 176.600 0.039 0.000 1.048 239 K CA 1.566 57.874 56.287 0.035 0.000 0.928 239 K CB -0.248 32.268 32.500 0.026 0.000 0.713 239 K HN 0.232 nan 8.250 nan 0.000 0.442 240 A N 1.159 124.001 122.820 0.037 0.000 1.969 240 A HA -0.166 4.145 4.320 -0.015 0.000 0.218 240 A C 1.828 179.448 177.584 0.059 0.000 1.169 240 A CA 1.552 53.613 52.037 0.039 0.000 0.635 240 A CB -0.378 18.638 19.000 0.028 0.000 0.810 240 A HN 0.482 nan 8.150 nan 0.000 0.445 241 E N -0.256 119.987 120.200 0.073 0.000 2.072 241 E HA -0.125 4.216 4.350 -0.015 0.000 0.191 241 E C 1.904 178.575 176.600 0.117 0.000 0.985 241 E CA 1.124 57.593 56.400 0.114 0.000 0.801 241 E CB -0.243 29.528 29.700 0.118 0.000 0.750 241 E HN 0.626 nan 8.360 nan 0.000 0.452 242 L N 1.154 122.431 121.223 0.090 0.000 2.093 242 L HA -0.160 4.171 4.340 -0.015 0.000 0.208 242 L C 2.061 178.974 176.870 0.070 0.000 1.085 242 L CA 0.603 55.493 54.840 0.084 0.000 0.755 242 L CB -0.314 41.786 42.059 0.068 0.000 0.904 242 L HN 0.134 nan 8.230 nan 0.000 0.435 243 N N -0.185 118.549 118.700 0.057 0.000 2.270 243 N HA -0.187 4.544 4.740 -0.015 0.000 0.181 243 N C 1.812 177.346 175.510 0.039 0.000 1.016 243 N CA 0.947 54.023 53.050 0.044 0.000 0.870 243 N CB 0.054 38.562 38.487 0.035 0.000 0.979 243 N HN 0.306 nan 8.380 nan 0.000 0.431 244 E N 1.169 121.397 120.200 0.048 0.000 2.107 244 E HA 0.050 4.391 4.350 -0.015 0.000 0.191 244 E C 1.953 178.535 176.600 -0.031 0.000 0.982 244 E CA 0.612 57.026 56.400 0.024 0.000 0.809 244 E CB -0.194 29.553 29.700 0.078 0.000 0.756 244 E HN 0.290 nan 8.360 nan 0.000 0.459 245 I N 0.415 120.998 120.570 0.021 0.000 2.226 245 I HA -0.263 3.898 4.170 -0.015 0.000 0.245 245 I C 2.328 178.470 176.117 0.042 0.000 1.100 245 I CA 1.084 62.398 61.300 0.022 0.000 1.374 245 I CB -0.387 37.680 38.000 0.112 0.000 1.057 245 I HN 0.200 nan 8.210 nan 0.000 0.413 246 A N 0.558 123.410 122.820 0.055 0.000 1.933 246 A HA -0.259 4.052 4.320 -0.015 0.000 0.218 246 A C 2.390 179.996 177.584 0.036 0.000 1.175 246 A CA 1.854 53.925 52.037 0.057 0.000 0.628 246 A CB -0.484 18.545 19.000 0.048 0.000 0.814 246 A HN 0.373 nan 8.150 nan 0.000 0.444 247 K N -0.298 120.110 120.400 0.014 0.000 2.062 247 K HA -0.031 4.280 4.320 -0.015 0.000 0.205 247 K C 1.801 178.397 176.600 -0.006 0.000 1.051 247 K CA 1.383 57.673 56.287 0.004 0.000 0.941 247 K CB -0.268 32.231 32.500 -0.002 0.000 0.719 247 K HN 0.497 nan 8.250 nan 0.000 0.440 248 I N 0.776 121.318 120.570 -0.048 0.000 2.202 248 I HA -0.328 3.833 4.170 -0.015 0.000 0.242 248 I C 2.447 178.586 176.117 0.037 0.000 1.091 248 I CA 0.816 62.080 61.300 -0.060 0.000 1.368 248 I CB -0.297 37.565 38.000 -0.231 0.000 1.058 248 I HN 0.309 nan 8.210 nan 0.000 0.410 249 C N 0.146 119.498 119.300 0.087 0.000 2.429 249 C HA -0.141 4.310 4.460 -0.015 0.000 0.277 249 C C 3.193 178.226 174.990 0.072 0.000 1.262 249 C CA 1.177 60.286 59.018 0.153 0.000 1.733 249 C CB -0.960 26.905 27.740 0.209 0.000 2.010 249 C HN 0.484 nan 8.230 nan 0.000 0.483 250 S N 0.178 115.909 115.700 0.051 0.000 2.382 250 S HA -0.206 4.256 4.470 -0.015 0.000 0.228 250 S C 1.895 176.516 174.600 0.036 0.000 1.027 250 S CA 1.560 59.781 58.200 0.033 0.000 0.991 250 S CB -0.251 62.965 63.200 0.028 0.000 0.823 250 S HN 0.727 nan 8.310 nan 0.000 0.469 251 K N 1.365 121.788 120.400 0.040 0.000 2.005 251 K HA -0.029 4.282 4.320 -0.015 0.000 0.206 251 K C 1.847 178.478 176.600 0.052 0.000 1.044 251 K CA 1.465 57.777 56.287 0.042 0.000 0.942 251 K CB -0.268 32.255 32.500 0.038 0.000 0.727 251 K HN 0.309 nan 8.250 nan 0.000 0.439 252 V N 0.862 120.815 119.914 0.066 0.000 3.488 252 V HA -0.025 4.086 4.120 -0.015 0.000 0.273 252 V C 0.864 177.014 176.094 0.094 0.000 1.209 252 V CA 1.119 63.464 62.300 0.075 0.000 1.179 252 V CB -0.959 30.937 31.823 0.121 0.000 0.842 252 V HN 0.349 nan 8.190 nan 0.000 0.515 253 S N -0.139 115.608 115.700 0.077 0.000 3.324 253 S HA 0.644 5.106 4.470 -0.015 0.000 0.229 253 S C 1.081 175.765 174.600 0.141 0.000 1.417 253 S CA 0.270 58.522 58.200 0.087 0.000 1.211 253 S CB -0.116 63.093 63.200 0.016 0.000 1.157 253 S HN 1.335 nan 8.310 nan 0.000 0.491 254 G N 0.664 109.579 108.800 0.190 0.000 3.514 254 G HA2 -0.099 3.852 3.960 -0.015 0.000 0.197 254 G HA3 -0.099 3.852 3.960 -0.015 0.000 0.197 254 G C -0.251 174.702 174.900 0.088 0.000 1.098 254 G CA -0.624 44.580 45.100 0.173 0.000 0.884 254 G HN 0.525 nan 8.290 nan 0.000 0.433 255 E N 0.676 120.909 120.200 0.055 0.000 2.345 255 E HA 0.503 4.844 4.350 -0.015 0.000 0.259 255 E C 0.823 177.426 176.600 0.004 0.000 1.117 255 E CA -0.168 56.252 56.400 0.033 0.000 0.913 255 E CB 1.128 30.852 29.700 0.041 0.000 1.057 255 E HN 0.378 nan 8.360 nan 0.000 0.432 256 G N -0.076 108.732 108.800 0.013 0.000 2.599 256 G HA2 0.428 4.379 3.960 -0.015 0.000 0.264 256 G HA3 0.428 4.379 3.960 -0.015 0.000 0.264 256 G C -0.564 174.362 174.900 0.043 0.000 1.200 256 G CA -0.295 44.812 45.100 0.012 0.000 0.896 256 G HN 0.519 nan 8.290 nan 0.000 0.536 257 A N -0.323 122.520 122.820 0.037 0.000 2.286 257 A HA 0.624 4.935 4.320 -0.015 0.000 0.286 257 A C 0.981 178.696 177.584 0.218 0.000 1.097 257 A CA -0.154 51.911 52.037 0.048 0.000 0.821 257 A CB 1.245 20.159 19.000 -0.143 0.000 1.076 257 A HN 0.780 nan 8.150 nan 0.000 0.490 258 K N -0.130 120.397 120.400 0.212 0.000 2.485 258 K HA 0.117 4.428 4.320 -0.015 0.000 0.200 258 K C 0.837 177.619 176.600 0.303 0.000 1.344 258 K CA 0.831 57.272 56.287 0.257 0.000 0.948 258 K CB 0.272 32.861 32.500 0.148 0.000 1.454 258 K HN 0.804 nan 8.250 nan 0.000 0.502 259 S N -0.590 115.254 115.700 0.240 0.000 2.669 259 S HA 0.158 4.619 4.470 -0.015 0.000 0.270 259 S C 0.843 175.643 174.600 0.333 0.000 1.225 259 S CA -0.748 57.614 58.200 0.271 0.000 0.991 259 S CB 0.707 64.049 63.200 0.237 0.000 0.987 259 S HN 0.227 nan 8.310 nan 0.000 0.552 260 F N 0.751 120.832 119.950 0.218 0.000 2.186 260 F HA -0.016 4.502 4.527 -0.015 0.000 0.299 260 F C 2.066 177.990 175.800 0.208 0.000 1.090 260 F CA 1.313 59.434 58.000 0.202 0.000 1.307 260 F CB -0.581 38.529 39.000 0.183 0.000 1.019 260 F HN 0.774 nan 8.300 nan 0.000 0.489 261 Y N 1.599 121.969 120.300 0.117 0.000 2.181 261 Y HA -0.199 4.342 4.550 -0.015 0.000 0.288 261 Y C 2.303 178.184 175.900 -0.030 0.000 1.146 261 Y CA 2.024 60.134 58.100 0.017 0.000 1.164 261 Y CB -0.885 37.677 38.460 0.171 0.000 0.982 261 Y HN 0.244 nan 8.280 nan 0.000 0.515 262 E N -0.540 119.770 120.200 0.184 0.000 2.077 262 E HA -0.193 4.148 4.350 -0.015 0.000 0.193 262 E C 2.361 178.962 176.600 0.001 0.000 0.989 262 E CA 1.049 57.491 56.400 0.070 0.000 0.800 262 E CB -0.280 29.459 29.700 0.064 0.000 0.746 262 E HN 0.480 nan 8.360 nan 0.000 0.452 263 A N 0.653 123.396 122.820 -0.129 0.000 1.933 263 A HA -0.187 4.124 4.320 -0.015 0.000 0.218 263 A C 2.391 179.879 177.584 -0.159 0.000 1.175 263 A CA 1.135 52.976 52.037 -0.327 0.000 0.628 263 A CB -0.772 17.846 19.000 -0.636 0.000 0.814 263 A HN 0.357 nan 8.150 nan 0.000 0.444 264 C N -1.435 117.739 119.300 -0.209 0.000 2.446 264 C HA -0.061 4.391 4.460 -0.015 0.000 0.277 264 C C 2.851 177.960 174.990 0.198 0.000 1.275 264 C CA 1.414 60.398 59.018 -0.058 0.000 1.727 264 C CB -0.913 26.691 27.740 -0.227 0.000 2.010 264 C HN 0.767 nan 8.230 nan 0.000 0.486 265 Q N 0.603 120.513 119.800 0.184 0.000 2.083 265 Q HA -0.095 4.236 4.340 -0.015 0.000 0.198 265 Q C 1.992 178.142 176.000 0.250 0.000 0.969 265 Q CA 1.373 57.289 55.803 0.189 0.000 0.838 265 Q CB -0.560 28.290 28.738 0.186 0.000 0.900 265 Q HN 0.517 nan 8.270 nan 0.000 0.436 266 L N -0.005 121.374 121.223 0.261 0.000 2.046 266 L HA -0.047 4.284 4.340 -0.015 0.000 0.208 266 L C 2.037 179.078 176.870 0.286 0.000 1.077 266 L CA 1.793 56.803 54.840 0.283 0.000 0.747 266 L CB -1.123 40.994 42.059 0.095 0.000 0.896 266 L HN 0.418 nan 8.230 nan 0.000 0.432 267 F N -0.703 119.344 119.950 0.161 0.000 2.065 267 F HA -0.311 4.207 4.527 -0.015 0.000 0.298 267 F C 2.361 178.357 175.800 0.327 0.000 1.112 267 F CA 2.304 60.447 58.000 0.239 0.000 1.212 267 F CB -0.889 38.249 39.000 0.230 0.000 0.975 267 F HN 0.341 nan 8.300 nan 0.000 0.476 268 W N 0.111 121.401 121.300 -0.016 0.000 2.363 268 W HA -0.285 4.366 4.660 -0.015 0.000 0.296 268 W C 1.938 178.408 176.519 -0.083 0.000 1.212 268 W CA 1.478 58.721 57.345 -0.169 0.000 1.260 268 W CB -0.645 28.730 29.460 -0.141 0.000 1.131 268 W HN 0.111 nan 8.180 nan 0.000 0.530 269 F N 0.711 120.665 119.950 0.005 0.000 2.134 269 F HA -0.191 4.327 4.527 -0.015 0.000 0.299 269 F C 2.382 178.206 175.800 0.039 0.000 1.097 269 F CA 1.473 59.476 58.000 0.006 0.000 1.264 269 F CB -1.216 37.913 39.000 0.215 0.000 1.001 269 F HN -0.218 nan 8.300 nan 0.000 0.479 270 I N -0.996 119.753 120.570 0.299 0.000 2.142 270 I HA -0.361 3.800 4.170 -0.015 0.000 0.240 270 I C 2.482 178.663 176.117 0.106 0.000 1.078 270 I CA 1.864 63.349 61.300 0.308 0.000 1.343 270 I CB -0.625 37.498 38.000 0.205 0.000 1.046 270 I HN 0.108 nan 8.210 nan 0.000 0.405 271 H N 0.853 119.794 119.070 -0.216 0.000 2.319 271 H HA -0.170 4.377 4.556 -0.015 0.000 0.299 271 H C 2.178 177.237 175.328 -0.447 0.000 1.092 271 H CA 1.955 57.811 56.048 -0.321 0.000 1.302 271 H CB -0.065 29.337 29.762 -0.601 0.000 1.373 271 H HN 0.329 nan 8.280 nan 0.000 0.497 272 A N 0.595 123.005 122.820 -0.682 0.000 1.883 272 A HA -0.149 4.162 4.320 -0.015 0.000 0.217 272 A C 2.540 179.950 177.584 -0.291 0.000 1.186 272 A CA 1.816 53.491 52.037 -0.603 0.000 0.624 272 A CB -0.880 17.714 19.000 -0.676 0.000 0.822 272 A HN 0.520 nan 8.150 nan 0.000 0.444 273 I N -0.292 120.151 120.570 -0.212 0.000 2.361 273 I HA -0.257 3.905 4.170 -0.015 0.000 0.251 273 I C 2.220 178.217 176.117 -0.201 0.000 1.133 273 I CA 1.116 62.225 61.300 -0.318 0.000 1.413 273 I CB -0.376 37.315 38.000 -0.515 0.000 1.073 273 I HN 0.322 nan 8.210 nan 0.000 0.424 274 I N 0.855 121.415 120.570 -0.016 0.000 2.208 274 I HA -0.311 3.850 4.170 -0.015 0.000 0.245 274 I C 1.968 178.059 176.117 -0.044 0.000 1.097 274 I CA 1.435 62.765 61.300 0.050 0.000 1.363 274 I CB -0.492 37.474 38.000 -0.057 0.000 1.051 274 I HN 0.331 nan 8.210 nan 0.000 0.413 275 N N 0.557 119.178 118.700 -0.132 0.000 2.571 275 N HA 0.011 4.742 4.740 -0.015 0.000 0.189 275 N C 1.667 177.231 175.510 0.088 0.000 1.154 275 N CA 0.921 53.928 53.050 -0.072 0.000 0.907 275 N CB 0.392 38.809 38.487 -0.117 0.000 0.977 275 N HN 0.449 nan 8.380 nan 0.000 0.449 276 I N 0.185 120.774 120.570 0.032 0.000 2.927 276 I HA -0.069 4.092 4.170 -0.015 0.000 0.268 276 I C 2.370 178.568 176.117 0.135 0.000 1.153 276 I CA 0.320 61.655 61.300 0.058 0.000 1.459 276 I CB 0.064 37.959 38.000 -0.175 0.000 1.149 276 I HN 0.027 nan 8.210 nan 0.000 0.443 277 E N 0.646 120.892 120.200 0.076 0.000 2.077 277 E HA -0.156 4.185 4.350 -0.015 0.000 0.193 277 E C 0.901 177.702 176.600 0.336 0.000 0.989 277 E CA 0.952 57.434 56.400 0.137 0.000 0.800 277 E CB 0.339 30.111 29.700 0.121 0.000 0.746 277 E HN 0.257 nan 8.360 nan 0.000 0.452 278 S N -0.930 114.973 115.700 0.337 0.000 2.579 278 S HA 0.208 4.669 4.470 -0.015 0.000 0.272 278 S C -0.696 173.791 174.600 -0.187 0.000 1.141 278 S CA -0.584 57.806 58.200 0.317 0.000 0.843 278 S CB 1.231 64.563 63.200 0.219 0.000 1.122 278 S HN 0.357 nan 8.310 nan 0.000 0.468 279 N N 1.317 119.597 118.700 -0.701 0.000 2.273 279 N HA 0.208 4.939 4.740 -0.015 0.000 0.231 279 N C 0.461 175.687 175.510 -0.472 0.000 1.134 279 N CA -0.090 52.428 53.050 -0.887 0.000 0.856 279 N CB -0.073 37.485 38.487 -1.548 0.000 1.068 279 N HN 0.595 nan 8.380 nan 0.000 0.510 280 G N 0.834 109.389 108.800 -0.408 0.000 2.441 280 G HA2 0.130 4.082 3.960 -0.015 0.000 0.243 280 G HA3 0.130 4.082 3.960 -0.015 0.000 0.243 280 G C 0.352 175.090 174.900 -0.269 0.000 1.281 280 G CA -0.298 44.569 45.100 -0.388 0.000 0.854 280 G HN 0.631 nan 8.290 nan 0.000 0.560 281 H N -0.464 118.502 119.070 -0.172 0.000 2.748 281 H HA 0.455 5.002 4.556 -0.015 0.000 0.288 281 H C 0.648 175.794 175.328 -0.302 0.000 1.539 281 H CA -0.158 55.785 56.048 -0.175 0.000 1.577 281 H CB 0.403 30.102 29.762 -0.104 0.000 1.721 281 H HN 0.508 nan 8.280 nan 0.000 0.869 282 S N -0.356 115.367 115.700 0.038 0.000 3.635 282 S HA -0.134 4.327 4.470 -0.015 0.000 0.328 282 S C 0.016 174.573 174.600 -0.072 0.000 1.135 282 S CA 0.320 58.439 58.200 -0.135 0.000 0.942 282 S CB -1.416 61.347 63.200 -0.728 0.000 0.930 282 S HN 0.433 nan 8.310 nan 0.000 0.512 283 I N 2.673 123.252 120.570 0.015 0.000 2.406 283 I HA 0.181 4.342 4.170 -0.015 0.000 0.293 283 I C 0.694 176.963 176.117 0.252 0.000 1.101 283 I CA 0.417 61.759 61.300 0.070 0.000 1.334 283 I CB 0.140 38.095 38.000 -0.075 0.000 1.421 283 I HN 0.137 nan 8.210 nan 0.000 0.513 284 S N 9.335 125.186 115.700 0.250 0.000 2.433 284 S HA 0.340 4.801 4.470 -0.015 0.000 0.310 284 S C -1.588 173.237 174.600 0.375 0.000 1.097 284 S CA -1.058 57.299 58.200 0.261 0.000 1.103 284 S CB 1.733 65.023 63.200 0.150 0.000 0.992 284 S HN 0.372 nan 8.310 nan 0.000 0.469 285 P HA -0.090 nan 4.420 nan 0.000 0.219 285 P C 1.027 178.527 177.300 0.333 0.000 1.146 285 P CA 1.574 64.820 63.100 0.242 0.000 0.808 285 P CB 0.002 31.763 31.700 0.101 0.000 0.779 286 A N -0.389 122.565 122.820 0.223 0.000 5.479 286 A HA -0.314 3.998 4.320 -0.015 0.000 0.301 286 A C 0.597 178.262 177.584 0.135 0.000 1.961 286 A CA 1.381 53.527 52.037 0.181 0.000 0.716 286 A CB -1.876 17.279 19.000 0.257 0.000 1.266 286 A HN 0.210 nan 8.150 nan 0.000 0.372 287 R N -0.131 120.456 120.500 0.145 0.000 4.886 287 R HA 0.236 4.567 4.340 -0.015 0.000 0.181 287 R C 0.912 177.036 176.300 -0.293 0.000 1.989 287 R CA 0.568 56.664 56.100 -0.007 0.000 1.623 287 R CB -0.810 29.491 30.300 0.001 0.000 1.383 287 R HN 0.587 nan 8.270 nan 0.000 0.847 288 F N 2.920 122.560 119.950 -0.516 0.000 2.115 288 F HA -0.314 4.204 4.527 -0.015 0.000 0.300 288 F C 2.100 177.476 175.800 -0.707 0.000 1.092 288 F CA 2.338 59.784 58.000 -0.924 0.000 1.245 288 F CB 0.089 38.825 39.000 -0.441 0.000 0.995 288 F HN 0.345 nan 8.300 nan 0.000 0.481 289 D N -0.862 119.403 120.400 -0.226 0.000 2.219 289 D HA -0.185 4.446 4.640 -0.015 0.000 0.205 289 D C 1.645 177.825 176.300 -0.199 0.000 0.970 289 D CA 0.992 54.886 54.000 -0.177 0.000 0.851 289 D CB -0.672 40.078 40.800 -0.083 0.000 0.943 289 D HN 0.353 nan 8.370 nan 0.000 0.488 290 Q N -0.028 119.630 119.800 -0.237 0.000 2.096 290 Q HA -0.078 4.253 4.340 -0.015 0.000 0.197 290 Q C 2.173 178.181 176.000 0.013 0.000 0.964 290 Q CA 1.029 56.778 55.803 -0.090 0.000 0.838 290 Q CB -0.629 28.083 28.738 -0.043 0.000 0.906 290 Q HN 0.688 nan 8.270 nan 0.000 0.444 291 Y N -2.638 117.681 120.300 0.031 0.000 2.500 291 Y HA 0.239 4.781 4.550 -0.015 0.000 0.270 291 Y C 1.722 177.685 175.900 0.105 0.000 1.134 291 Y CA 0.138 58.289 58.100 0.084 0.000 1.293 291 Y CB -0.152 38.374 38.460 0.110 0.000 1.063 291 Y HN -0.125 nan 8.280 nan 0.000 0.534 292 M N -0.917 118.606 119.600 -0.128 0.000 2.486 292 M HA 0.018 4.489 4.480 -0.015 0.000 0.264 292 M C 1.642 178.096 176.300 0.256 0.000 1.125 292 M CA 0.480 55.763 55.300 -0.028 0.000 1.144 292 M CB -1.155 31.035 32.600 -0.683 0.000 1.353 292 M HN 0.451 nan 8.290 nan 0.000 0.466 293 Y N 2.420 122.747 120.300 0.045 0.000 2.165 293 Y HA -0.151 4.390 4.550 -0.015 0.000 0.286 293 Y C -0.853 175.145 175.900 0.164 0.000 1.155 293 Y CA 1.969 60.132 58.100 0.104 0.000 1.164 293 Y CB -1.684 36.787 38.460 0.018 0.000 0.978 293 Y HN 0.146 nan 8.280 nan 0.000 0.513 294 P HA -0.198 nan 4.420 nan 0.000 0.215 294 P C 1.063 178.201 177.300 -0.270 0.000 1.153 294 P CA 2.132 65.094 63.100 -0.230 0.000 0.853 294 P CB -0.311 31.258 31.700 -0.219 0.000 0.788 295 Y N -2.801 117.538 120.300 0.064 0.000 2.293 295 Y HA -0.178 4.363 4.550 -0.015 0.000 0.291 295 Y C 2.534 178.539 175.900 0.176 0.000 1.137 295 Y CA 1.113 59.301 58.100 0.147 0.000 1.202 295 Y CB -1.188 37.408 38.460 0.228 0.000 0.990 295 Y HN 0.013 nan 8.280 nan 0.000 0.537 296 Y N 0.928 121.301 120.300 0.122 0.000 2.184 296 Y HA -0.154 4.387 4.550 -0.015 0.000 0.290 296 Y C 2.402 178.134 175.900 -0.281 0.000 1.129 296 Y CA 1.748 59.709 58.100 -0.231 0.000 1.144 296 Y CB -0.413 37.755 38.460 -0.486 0.000 0.995 296 Y HN 0.143 nan 8.280 nan 0.000 0.513 297 E N 0.001 119.869 120.200 -0.554 0.000 2.110 297 E HA -0.211 4.130 4.350 -0.015 0.000 0.193 297 E C 1.202 177.569 176.600 -0.388 0.000 0.988 297 E CA 1.325 57.366 56.400 -0.599 0.000 0.804 297 E CB -0.148 29.149 29.700 -0.671 0.000 0.745 297 E HN 0.538 nan 8.360 nan 0.000 0.458 298 N N 1.239 119.773 118.700 -0.277 0.000 2.467 298 N HA -0.073 4.658 4.740 -0.015 0.000 0.184 298 N C -0.123 175.315 175.510 -0.119 0.000 1.106 298 N CA 0.371 53.318 53.050 -0.171 0.000 0.892 298 N CB 0.055 38.456 38.487 -0.143 0.000 0.969 298 N HN 0.120 nan 8.380 nan 0.000 0.454 299 D N 1.293 121.608 120.400 -0.142 0.000 2.402 299 D HA 0.081 4.713 4.640 -0.015 0.000 0.235 299 D C 0.402 176.630 176.300 -0.120 0.000 1.226 299 D CA -0.060 53.901 54.000 -0.064 0.000 0.918 299 D CB 0.532 41.340 40.800 0.013 0.000 1.043 299 D HN 0.067 nan 8.370 nan 0.000 0.506 300 K N 2.042 122.401 120.400 -0.069 0.000 2.525 300 K HA 0.042 4.354 4.320 -0.015 0.000 0.192 300 K C 0.929 177.509 176.600 -0.034 0.000 1.029 300 K CA 0.314 56.562 56.287 -0.066 0.000 1.029 300 K CB 0.546 33.020 32.500 -0.043 0.000 0.814 300 K HN 0.274 nan 8.250 nan 0.000 0.503 301 N N 0.439 119.138 118.700 -0.002 0.000 2.397 301 N HA 0.058 4.789 4.740 -0.015 0.000 0.190 301 N C 0.485 176.024 175.510 0.049 0.000 1.099 301 N CA -0.058 53.007 53.050 0.025 0.000 0.876 301 N CB 0.736 39.252 38.487 0.049 0.000 1.143 301 N HN 0.112 nan 8.380 nan 0.000 0.468 302 I N 2.905 123.519 120.570 0.073 0.000 2.648 302 I HA -0.032 4.130 4.170 -0.015 0.000 0.284 302 I C 0.571 176.742 176.117 0.091 0.000 1.153 302 I CA 0.009 61.395 61.300 0.144 0.000 1.426 302 I CB 0.730 38.855 38.000 0.207 0.000 1.381 302 I HN 0.100 nan 8.210 nan 0.000 0.571 303 T N 2.050 116.691 114.554 0.145 0.000 2.874 303 T HA 0.205 4.546 4.350 -0.015 0.000 0.281 303 T C 0.741 175.528 174.700 0.145 0.000 0.994 303 T CA -0.729 61.438 62.100 0.112 0.000 1.015 303 T CB 1.277 70.206 68.868 0.101 0.000 1.028 303 T HN 0.561 nan 8.240 nan 0.000 0.523 304 D N 0.070 120.543 120.400 0.122 0.000 2.178 304 D HA -0.069 4.562 4.640 -0.015 0.000 0.202 304 D C 1.852 178.210 176.300 0.097 0.000 0.974 304 D CA 1.093 55.168 54.000 0.124 0.000 0.841 304 D CB -0.076 40.783 40.800 0.098 0.000 0.953 304 D HN 0.721 nan 8.370 nan 0.000 0.478 305 K N -0.342 120.125 120.400 0.111 0.000 2.057 305 K HA -0.151 4.161 4.320 -0.015 0.000 0.207 305 K C 2.006 178.707 176.600 0.169 0.000 1.049 305 K CA 0.712 57.069 56.287 0.116 0.000 0.931 305 K CB -0.158 32.403 32.500 0.102 0.000 0.714 305 K HN -0.011 nan 8.250 nan 0.000 0.440 306 F N 1.204 121.172 119.950 0.030 0.000 2.206 306 F HA 0.037 4.555 4.527 -0.015 0.000 0.298 306 F C 1.984 177.817 175.800 0.055 0.000 1.090 306 F CA 0.928 58.944 58.000 0.026 0.000 1.323 306 F CB -0.604 38.414 39.000 0.030 0.000 1.028 306 F HN 0.080 nan 8.300 nan 0.000 0.492 307 A N -0.220 122.622 122.820 0.037 0.000 1.908 307 A HA -0.271 4.040 4.320 -0.015 0.000 0.218 307 A C 2.123 179.694 177.584 -0.022 0.000 1.181 307 A CA 1.910 53.930 52.037 -0.028 0.000 0.627 307 A CB -0.949 17.969 19.000 -0.136 0.000 0.818 307 A HN 0.480 nan 8.150 nan 0.000 0.445 308 Q N -0.055 119.724 119.800 -0.035 0.000 2.079 308 Q HA -0.166 4.165 4.340 -0.015 0.000 0.200 308 Q C 1.929 177.902 176.000 -0.045 0.000 0.974 308 Q CA 2.155 57.932 55.803 -0.043 0.000 0.840 308 Q CB -0.341 28.402 28.738 0.009 0.000 0.898 308 Q HN 0.766 nan 8.270 nan 0.000 0.430 309 E N -0.580 119.590 120.200 -0.050 0.000 2.110 309 E HA -0.175 4.167 4.350 -0.015 0.000 0.193 309 E C 1.833 178.330 176.600 -0.171 0.000 0.988 309 E CA 1.069 57.425 56.400 -0.074 0.000 0.804 309 E CB -0.131 29.563 29.700 -0.011 0.000 0.745 309 E HN 0.454 nan 8.360 nan 0.000 0.458 310 L N 0.527 121.569 121.223 -0.302 0.000 2.046 310 L HA -0.179 4.152 4.340 -0.015 0.000 0.208 310 L C 2.524 179.326 176.870 -0.114 0.000 1.077 310 L CA 0.933 55.585 54.840 -0.313 0.000 0.747 310 L CB -0.330 41.475 42.059 -0.423 0.000 0.896 310 L HN 0.259 nan 8.230 nan 0.000 0.432 311 I N -0.195 120.358 120.570 -0.027 0.000 2.226 311 I HA -0.290 3.871 4.170 -0.015 0.000 0.245 311 I C 2.054 178.102 176.117 -0.116 0.000 1.100 311 I CA 1.131 62.419 61.300 -0.020 0.000 1.374 311 I CB -0.419 37.531 38.000 -0.084 0.000 1.057 311 I HN 0.281 nan 8.210 nan 0.000 0.413 312 D N 0.467 120.773 120.400 -0.157 0.000 2.144 312 D HA -0.164 4.467 4.640 -0.015 0.000 0.199 312 D C 2.266 178.558 176.300 -0.015 0.000 0.984 312 D CA 1.208 55.138 54.000 -0.117 0.000 0.834 312 D CB -0.396 40.376 40.800 -0.048 0.000 0.955 312 D HN 0.380 nan 8.370 nan 0.000 0.465 313 C N 0.704 119.971 119.300 -0.055 0.000 2.440 313 C HA -0.065 4.386 4.460 -0.015 0.000 0.278 313 C C 2.698 177.623 174.990 -0.108 0.000 1.295 313 C CA -0.153 58.814 59.018 -0.084 0.000 1.738 313 C CB -0.653 27.014 27.740 -0.121 0.000 1.987 313 C HN 0.332 nan 8.230 nan 0.000 0.492 314 I N -0.501 120.048 120.570 -0.034 0.000 2.179 314 I HA -0.224 3.937 4.170 -0.015 0.000 0.242 314 I C 2.521 178.641 176.117 0.006 0.000 1.088 314 I CA 1.540 62.821 61.300 -0.032 0.000 1.357 314 I CB -1.262 36.819 38.000 0.135 0.000 1.051 314 I HN 0.618 nan 8.210 nan 0.000 0.409 315 W N 1.244 122.413 121.300 -0.219 0.000 2.318 315 W HA -0.246 4.405 4.660 -0.014 0.000 0.313 315 W C 2.583 179.003 176.519 -0.166 0.000 1.221 315 W CA 1.034 58.269 57.345 -0.183 0.000 1.266 315 W CB -0.225 29.149 29.460 -0.143 0.000 1.150 315 W HN 0.110 nan 8.180 nan 0.000 0.496 316 I N 0.205 120.808 120.570 0.056 0.000 2.315 316 I HA -0.312 3.849 4.170 -0.015 0.000 0.248 316 I C 2.342 178.365 176.117 -0.157 0.000 1.117 316 I CA 1.065 62.342 61.300 -0.039 0.000 1.404 316 I CB -0.548 37.427 38.000 -0.041 0.000 1.071 316 I HN -0.214 nan 8.210 nan 0.000 0.419 317 K N 0.909 121.102 120.400 -0.344 0.000 2.147 317 K HA -0.078 4.233 4.320 -0.015 0.000 0.205 317 K C 2.017 178.370 176.600 -0.412 0.000 1.049 317 K CA 1.272 57.170 56.287 -0.649 0.000 0.936 317 K CB -0.581 30.976 32.500 -1.573 0.000 0.722 317 K HN 0.354 nan 8.250 nan 0.000 0.446 318 L N 1.227 122.298 121.223 -0.253 0.000 2.362 318 L HA -0.115 4.216 4.340 -0.015 0.000 0.219 318 L C 1.583 178.473 176.870 0.032 0.000 1.134 318 L CA 0.740 55.590 54.840 0.017 0.000 0.807 318 L CB -0.250 41.725 42.059 -0.141 0.000 0.927 318 L HN 0.192 nan 8.230 nan 0.000 0.447 319 N N -0.833 117.854 118.700 -0.022 0.000 2.280 319 N HA -0.090 4.641 4.740 -0.015 0.000 0.192 319 N C 0.939 176.463 175.510 0.023 0.000 1.109 319 N CA 0.356 53.405 53.050 -0.001 0.000 0.855 319 N CB 0.362 38.841 38.487 -0.013 0.000 0.974 319 N HN 0.253 nan 8.380 nan 0.000 0.482 320 D N 0.775 121.205 120.400 0.050 0.000 2.249 320 D HA 0.120 4.752 4.640 -0.015 0.000 0.205 320 D C 0.610 176.988 176.300 0.131 0.000 0.962 320 D CA 0.199 54.246 54.000 0.078 0.000 0.860 320 D CB 0.408 41.262 40.800 0.091 0.000 0.955 320 D HN 0.145 nan 8.370 nan 0.000 0.505 321 I N 1.009 121.690 120.570 0.186 0.000 2.529 321 I HA 0.127 4.288 4.170 -0.015 0.000 0.284 321 I C 0.493 176.682 176.117 0.121 0.000 1.082 321 I CA -0.197 61.213 61.300 0.182 0.000 1.406 321 I CB 0.731 38.863 38.000 0.221 0.000 1.405 321 I HN -0.052 nan 8.210 nan 0.000 0.548 322 N N 5.248 124.028 118.700 0.132 0.000 2.647 322 N HA 0.469 5.201 4.740 -0.015 0.000 0.266 322 N C -1.591 174.027 175.510 0.179 0.000 1.373 322 N CA -0.777 52.362 53.050 0.148 0.000 0.807 322 N CB 2.607 41.180 38.487 0.142 0.000 1.513 322 N HN 0.553 nan 8.380 nan 0.000 0.505 323 K N 1.420 121.949 120.400 0.215 0.000 2.619 323 K HA 0.321 4.633 4.320 -0.015 0.000 0.251 323 K C -1.638 175.018 176.600 0.092 0.000 0.987 323 K CA -0.576 55.788 56.287 0.129 0.000 0.844 323 K CB 1.632 34.163 32.500 0.051 0.000 1.237 323 K HN 0.272 nan 8.250 nan 0.000 0.447 324 V N 5.045 124.890 119.914 -0.116 0.000 2.583 324 V HA 0.481 4.593 4.120 -0.015 0.000 0.287 324 V C -0.636 175.400 176.094 -0.097 0.000 1.051 324 V CA 0.088 62.136 62.300 -0.420 0.000 1.010 324 V CB 0.731 32.123 31.823 -0.719 0.000 0.988 324 V HN 0.830 nan 8.190 nan 0.000 0.478 325 R N 4.266 124.650 120.500 -0.194 0.000 2.867 325 R HA 0.443 4.774 4.340 -0.015 0.000 0.268 325 R C -0.859 174.976 176.300 -0.775 0.000 1.014 325 R CA -0.821 54.984 56.100 -0.492 0.000 0.946 325 R CB 1.425 31.575 30.300 -0.250 0.000 1.208 325 R HN 0.895 nan 8.270 nan 0.000 0.477 326 D N 0.846 120.422 120.400 -1.373 0.000 2.361 326 D HA -0.058 4.573 4.640 -0.015 0.000 0.239 326 D C 0.167 176.206 176.300 -0.435 0.000 1.200 326 D CA -0.109 53.338 54.000 -0.921 0.000 0.915 326 D CB 0.890 41.053 40.800 -1.063 0.000 1.170 326 D HN 0.543 nan 8.370 nan 0.000 0.444 327 E N -0.277 119.789 120.200 -0.223 0.000 2.086 327 E HA -0.197 4.144 4.350 -0.015 0.000 0.200 327 E C 1.979 178.409 176.600 -0.283 0.000 1.012 327 E CA 1.116 57.413 56.400 -0.172 0.000 0.812 327 E CB -0.027 29.620 29.700 -0.089 0.000 0.743 327 E HN 0.504 nan 8.360 nan 0.000 0.453 328 I N 0.762 121.114 120.570 -0.363 0.000 2.233 328 I HA -0.158 4.003 4.170 -0.015 0.000 0.243 328 I C 2.346 177.977 176.117 -0.810 0.000 1.093 328 I CA 1.051 62.044 61.300 -0.513 0.000 1.380 328 I CB -1.169 36.616 38.000 -0.359 0.000 1.067 328 I HN -0.031 nan 8.210 nan 0.000 0.413 329 S N 0.625 115.867 115.700 -0.763 0.000 2.419 329 S HA -0.142 4.319 4.470 -0.015 0.000 0.233 329 S C 1.953 176.273 174.600 -0.467 0.000 1.016 329 S CA 1.568 59.281 58.200 -0.813 0.000 0.974 329 S CB -0.401 62.559 63.200 -0.400 0.000 0.786 329 S HN 0.483 nan 8.310 nan 0.000 0.492 330 T N 2.128 116.482 114.554 -0.333 0.000 2.881 330 T HA -0.036 4.305 4.350 -0.015 0.000 0.270 330 T C 1.603 176.200 174.700 -0.171 0.000 1.068 330 T CA 0.972 62.987 62.100 -0.142 0.000 1.131 330 T CB -0.136 68.669 68.868 -0.105 0.000 0.871 330 T HN 0.458 nan 8.240 nan 0.000 0.479 331 K N 0.230 120.437 120.400 -0.321 0.000 2.217 331 K HA -0.012 4.300 4.320 -0.015 0.000 0.202 331 K C 1.955 178.438 176.600 -0.196 0.000 1.051 331 K CA 0.940 57.070 56.287 -0.262 0.000 0.952 331 K CB -0.115 32.122 32.500 -0.438 0.000 0.736 331 K HN 0.617 nan 8.250 nan 0.000 0.453 332 H N -1.151 117.604 119.070 -0.525 0.000 2.470 332 H HA 0.019 4.566 4.556 -0.015 0.000 0.289 332 H C -0.002 174.799 175.328 -0.879 0.000 1.033 332 H CA 0.278 55.812 56.048 -0.857 0.000 1.331 332 H CB 0.237 29.287 29.762 -1.187 0.000 1.414 332 H HN 0.049 nan 8.280 nan 0.000 0.545 333 F N 1.072 121.062 119.950 0.067 0.000 2.622 333 F HA 0.340 4.858 4.527 -0.015 0.000 0.338 333 F C 0.682 176.502 175.800 0.034 0.000 1.334 333 F CA -0.870 57.185 58.000 0.091 0.000 1.179 333 F CB 0.949 40.007 39.000 0.098 0.000 1.471 333 F HN -0.032 nan 8.300 nan 0.000 0.576 334 G N -0.320 108.588 108.800 0.180 0.000 2.476 334 G HA2 0.444 4.396 3.960 -0.015 0.000 0.269 334 G HA3 0.444 4.396 3.960 -0.015 0.000 0.269 334 G C 0.748 175.722 174.900 0.122 0.000 1.195 334 G CA -0.004 45.150 45.100 0.090 0.000 0.843 334 G HN 1.059 nan 8.290 nan 0.000 0.545 335 G N 0.145 108.910 108.800 -0.059 0.000 2.164 335 G HA2 -0.160 3.791 3.960 -0.015 0.000 0.212 335 G HA3 -0.160 3.791 3.960 -0.015 0.000 0.212 335 G C 0.381 175.281 174.900 -0.001 0.000 1.031 335 G CA 0.172 45.227 45.100 -0.076 0.000 0.730 335 G HN 1.548 nan 8.290 nan 0.000 0.501 336 Y N -2.224 118.094 120.300 0.030 0.000 3.225 336 Y HA -0.220 4.321 4.550 -0.015 0.000 0.211 336 Y C -1.093 174.760 175.900 -0.078 0.000 1.223 336 Y CA 0.264 58.372 58.100 0.013 0.000 1.284 336 Y CB -1.486 36.963 38.460 -0.018 0.000 1.367 336 Y HN 0.530 nan 8.280 nan 0.000 0.566 337 P HA 0.140 nan 4.420 nan 0.000 0.284 337 P C 0.291 177.249 177.300 -0.570 0.000 1.253 337 P CA -0.261 62.525 63.100 -0.523 0.000 0.800 337 P CB 1.449 32.429 31.700 -1.201 0.000 0.961 338 M N 0.941 120.249 119.600 -0.486 0.000 2.304 338 M HA 0.107 4.579 4.480 -0.015 0.000 0.281 338 M C -0.029 176.222 176.300 -0.081 0.000 1.014 338 M CA -0.243 54.935 55.300 -0.202 0.000 1.054 338 M CB -0.964 31.618 32.600 -0.030 0.000 1.551 338 M HN 0.304 nan 8.290 nan 0.000 0.548 339 Y N 0.773 120.984 120.300 -0.148 0.000 3.168 339 Y HA -0.260 4.282 4.550 -0.014 0.000 0.207 339 Y C -0.112 175.767 175.900 -0.036 0.000 1.280 339 Y CA 0.101 58.140 58.100 -0.102 0.000 1.235 339 Y CB -2.837 35.531 38.460 -0.153 0.000 1.370 339 Y HN 0.361 nan 8.280 nan 0.000 0.537 340 Q N 1.092 120.937 119.800 0.075 0.000 2.472 340 Q HA 0.145 4.476 4.340 -0.015 0.000 0.227 340 Q C 0.310 176.323 176.000 0.022 0.000 1.156 340 Q CA -0.434 55.419 55.803 0.083 0.000 0.924 340 Q CB 0.441 29.233 28.738 0.089 0.000 1.354 340 Q HN 0.292 nan 8.270 nan 0.000 0.525 341 N N 2.959 121.690 118.700 0.052 0.000 2.497 341 N HA 0.223 4.954 4.740 -0.015 0.000 0.271 341 N C -1.413 174.091 175.510 -0.009 0.000 1.142 341 N CA 0.043 53.106 53.050 0.022 0.000 0.965 341 N CB 0.752 39.258 38.487 0.031 0.000 1.077 341 N HN 0.497 nan 8.380 nan 0.000 0.462 342 L N 5.050 126.235 121.223 -0.063 0.000 2.376 342 L HA 0.582 4.913 4.340 -0.015 0.000 0.275 342 L C -0.976 175.881 176.870 -0.021 0.000 0.987 342 L CA -0.633 54.157 54.840 -0.083 0.000 0.828 342 L CB 1.402 43.289 42.059 -0.285 0.000 1.249 342 L HN 0.502 nan 8.230 nan 0.000 0.409 343 I N 5.419 125.990 120.570 0.003 0.000 2.693 343 I HA 0.708 4.869 4.170 -0.015 0.000 0.303 343 I C -0.952 175.180 176.117 0.025 0.000 1.025 343 I CA -0.700 60.610 61.300 0.016 0.000 1.086 343 I CB 2.122 40.092 38.000 -0.050 0.000 1.268 343 I HN 0.484 nan 8.210 nan 0.000 0.440 344 V N 3.354 123.310 119.914 0.070 0.000 3.040 344 V HA 1.057 5.168 4.120 -0.015 0.000 0.312 344 V C 0.009 176.141 176.094 0.062 0.000 1.115 344 V CA 0.144 62.475 62.300 0.052 0.000 0.998 344 V CB 0.743 32.630 31.823 0.107 0.000 1.042 344 V HN 1.322 nan 8.190 nan 0.000 0.433 345 G N 0.206 108.903 108.800 -0.171 0.000 2.725 345 G HA2 0.502 4.453 3.960 -0.015 0.000 0.220 345 G HA3 0.502 4.453 3.960 -0.015 0.000 0.220 345 G C 0.733 175.498 174.900 -0.224 0.000 1.357 345 G CA 0.216 45.074 45.100 -0.403 0.000 0.866 345 G HN 3.251 nan 8.290 nan 0.000 0.548 346 G N -1.616 107.081 108.800 -0.172 0.000 2.466 346 G HA2 0.525 4.476 3.960 -0.015 0.000 0.316 346 G HA3 0.525 4.476 3.960 -0.015 0.000 0.316 346 G C -0.174 174.487 174.900 -0.398 0.000 1.270 346 G CA 0.813 45.781 45.100 -0.220 0.000 0.982 346 G HN 2.289 nan 8.290 nan 0.000 0.506 347 Q N -0.318 119.100 119.800 -0.636 0.000 2.306 347 Q HA 0.719 5.050 4.340 -0.015 0.000 0.269 347 Q C 0.283 176.054 176.000 -0.383 0.000 1.053 347 Q CA -0.641 54.758 55.803 -0.674 0.000 0.879 347 Q CB 1.632 29.619 28.738 -1.252 0.000 1.344 347 Q HN 0.896 nan 8.270 nan 0.000 0.464 348 N N -0.405 118.131 118.700 -0.273 0.000 2.566 348 N HA 0.169 4.900 4.740 -0.015 0.000 0.299 348 N C 0.091 175.519 175.510 -0.137 0.000 1.277 348 N CA -0.656 52.297 53.050 -0.161 0.000 0.965 348 N CB 0.337 38.766 38.487 -0.096 0.000 1.142 348 N HN 0.534 nan 8.380 nan 0.000 0.596 349 S N -0.897 114.760 115.700 -0.071 0.000 2.469 349 S HA -0.062 4.399 4.470 -0.015 0.000 0.238 349 S C 0.831 175.409 174.600 -0.037 0.000 0.998 349 S CA 0.679 58.854 58.200 -0.041 0.000 0.957 349 S CB -0.320 62.877 63.200 -0.005 0.000 0.764 349 S HN 0.512 nan 8.310 nan 0.000 0.514 350 E N 0.191 120.366 120.200 -0.041 0.000 2.478 350 E HA 0.142 4.483 4.350 -0.015 0.000 0.194 350 E C 1.328 177.909 176.600 -0.030 0.000 1.045 350 E CA 0.445 56.833 56.400 -0.020 0.000 0.868 350 E CB -0.100 29.597 29.700 -0.004 0.000 0.885 350 E HN 0.515 nan 8.360 nan 0.000 0.505 351 G N 1.979 110.720 108.800 -0.098 0.000 2.149 351 G HA2 -0.285 3.666 3.960 -0.015 0.000 0.235 351 G HA3 -0.285 3.666 3.960 -0.015 0.000 0.235 351 G C 0.064 174.906 174.900 -0.096 0.000 1.018 351 G CA 0.355 45.366 45.100 -0.148 0.000 0.728 351 G HN 0.181 nan 8.290 nan 0.000 0.508 352 K N -0.181 120.170 120.400 -0.082 0.000 2.208 352 K HA 0.446 4.757 4.320 -0.015 0.000 0.247 352 K C -0.370 176.251 176.600 0.034 0.000 0.953 352 K CA -0.947 55.385 56.287 0.075 0.000 0.837 352 K CB 1.423 33.959 32.500 0.060 0.000 1.131 352 K HN 0.148 nan 8.250 nan 0.000 0.431 353 D N 0.521 121.095 120.400 0.291 0.000 2.443 353 D HA 0.067 4.698 4.640 -0.015 0.000 0.239 353 D C -0.077 176.230 176.300 0.011 0.000 1.136 353 D CA 0.335 54.488 54.000 0.256 0.000 0.879 353 D CB 0.877 41.876 40.800 0.331 0.000 1.195 353 D HN 0.556 nan 8.370 nan 0.000 0.443 354 A N 2.757 125.521 122.820 -0.094 0.000 2.564 354 A HA 0.202 4.513 4.320 -0.015 0.000 0.279 354 A C 0.561 177.995 177.584 -0.250 0.000 1.232 354 A CA -0.404 51.534 52.037 -0.165 0.000 0.950 354 A CB -0.055 18.835 19.000 -0.183 0.000 1.138 354 A HN 0.530 nan 8.150 nan 0.000 0.526 355 T N 2.650 117.034 114.554 -0.283 0.000 2.928 355 T HA 0.339 4.680 4.350 -0.015 0.000 0.305 355 T C 0.188 174.694 174.700 -0.323 0.000 1.035 355 T CA 0.628 62.479 62.100 -0.416 0.000 1.145 355 T CB 0.167 68.762 68.868 -0.456 0.000 0.963 355 T HN 0.831 nan 8.240 nan 0.000 0.545 356 N N 0.660 119.139 118.700 -0.368 0.000 2.972 356 N HA 0.383 5.114 4.740 -0.015 0.000 0.262 356 N C 0.449 175.844 175.510 -0.192 0.000 1.478 356 N CA -1.130 51.660 53.050 -0.433 0.000 0.841 356 N CB 0.727 38.589 38.487 -1.042 0.000 1.512 356 N HN 0.187 nan 8.380 nan 0.000 0.548 357 K N -0.383 119.948 120.400 -0.114 0.000 2.074 357 K HA -0.001 4.310 4.320 -0.015 0.000 0.209 357 K C 1.125 177.690 176.600 -0.059 0.000 1.048 357 K CA 1.742 58.051 56.287 0.036 0.000 0.926 357 K CB -0.776 31.761 32.500 0.062 0.000 0.713 357 K HN 0.441 nan 8.250 nan 0.000 0.444 358 V N 0.467 120.328 119.914 -0.089 0.000 2.626 358 V HA -0.178 3.933 4.120 -0.015 0.000 0.252 358 V C 2.040 178.114 176.094 -0.032 0.000 1.067 358 V CA 1.809 64.061 62.300 -0.081 0.000 1.081 358 V CB -0.412 31.410 31.823 -0.001 0.000 0.686 358 V HN 0.311 nan 8.190 nan 0.000 0.468 359 S N -0.762 114.882 115.700 -0.094 0.000 2.370 359 S HA -0.225 4.236 4.470 -0.015 0.000 0.226 359 S C 1.843 176.395 174.600 -0.079 0.000 1.033 359 S CA 1.850 59.978 58.200 -0.120 0.000 1.011 359 S CB -0.445 62.556 63.200 -0.332 0.000 0.852 359 S HN 0.669 nan 8.310 nan 0.000 0.457 360 Y N 1.090 121.418 120.300 0.047 0.000 2.314 360 Y HA 0.099 4.641 4.550 -0.014 0.000 0.293 360 Y C 2.451 178.323 175.900 -0.046 0.000 1.129 360 Y CA 0.663 58.785 58.100 0.038 0.000 1.201 360 Y CB -0.338 38.128 38.460 0.011 0.000 0.999 360 Y HN 0.172 nan 8.280 nan 0.000 0.541 361 M N -0.838 118.779 119.600 0.028 0.000 2.296 361 M HA -0.163 4.308 4.480 -0.015 0.000 0.265 361 M C 2.378 178.539 176.300 -0.232 0.000 1.064 361 M CA 1.298 56.527 55.300 -0.117 0.000 1.109 361 M CB -0.293 32.207 32.600 -0.166 0.000 1.396 361 M HN 0.349 nan 8.290 nan 0.000 0.430 362 A N 0.658 123.398 122.820 -0.134 0.000 1.897 362 A HA -0.062 4.249 4.320 -0.015 0.000 0.215 362 A C 2.052 179.557 177.584 -0.132 0.000 1.181 362 A CA 1.073 53.003 52.037 -0.178 0.000 0.620 362 A CB -0.704 18.394 19.000 0.162 0.000 0.821 362 A HN 0.438 nan 8.150 nan 0.000 0.443 363 L N -0.965 120.247 121.223 -0.019 0.000 2.093 363 L HA -0.175 4.156 4.340 -0.015 0.000 0.208 363 L C 2.603 179.443 176.870 -0.051 0.000 1.085 363 L CA 1.702 56.556 54.840 0.023 0.000 0.755 363 L CB -0.485 41.639 42.059 0.109 0.000 0.904 363 L HN 0.419 nan 8.230 nan 0.000 0.435 364 E N 0.541 120.685 120.200 -0.094 0.000 2.072 364 E HA -0.187 4.155 4.350 -0.015 0.000 0.191 364 E C 2.206 178.453 176.600 -0.588 0.000 0.985 364 E CA 1.370 57.633 56.400 -0.229 0.000 0.801 364 E CB -0.099 29.442 29.700 -0.265 0.000 0.750 364 E HN 0.371 nan 8.360 nan 0.000 0.452 365 A N 0.704 123.123 122.820 -0.669 0.000 1.940 365 A HA -0.135 4.177 4.320 -0.015 0.000 0.219 365 A C 2.396 179.625 177.584 -0.591 0.000 1.176 365 A CA 1.967 53.486 52.037 -0.863 0.000 0.631 365 A CB -0.958 17.040 19.000 -1.670 0.000 0.814 365 A HN 0.373 nan 8.150 nan 0.000 0.446 366 A N -0.682 121.941 122.820 -0.327 0.000 1.972 366 A HA 0.006 4.317 4.320 -0.015 0.000 0.219 366 A C 2.120 179.633 177.584 -0.119 0.000 1.169 366 A CA 1.858 53.896 52.037 0.001 0.000 0.635 366 A CB -0.660 18.381 19.000 0.067 0.000 0.810 366 A HN 0.448 nan 8.150 nan 0.000 0.446 367 V N -1.119 118.620 119.914 -0.292 0.000 2.788 367 V HA -0.151 3.960 4.120 -0.015 0.000 0.251 367 V C 2.081 178.131 176.094 -0.073 0.000 1.068 367 V CA 1.591 63.697 62.300 -0.322 0.000 1.090 367 V CB -1.078 30.289 31.823 -0.760 0.000 0.710 367 V HN 0.712 nan 8.190 nan 0.000 0.467 368 H N -0.726 118.240 119.070 -0.173 0.000 2.395 368 H HA -0.043 4.505 4.556 -0.015 0.000 0.299 368 H C 2.174 177.453 175.328 -0.082 0.000 1.070 368 H CA 1.360 57.338 56.048 -0.118 0.000 1.356 368 H CB 0.451 30.130 29.762 -0.139 0.000 1.401 368 H HN 0.296 nan 8.280 nan 0.000 0.524 369 V N 0.075 120.028 119.914 0.065 0.000 2.672 369 V HA -0.075 4.036 4.120 -0.015 0.000 0.242 369 V C 0.751 176.881 176.094 0.060 0.000 1.059 369 V CA 0.455 62.798 62.300 0.071 0.000 1.081 369 V CB -0.024 31.886 31.823 0.145 0.000 0.752 369 V HN 0.361 nan 8.190 nan 0.000 0.472 370 K N 0.416 120.849 120.400 0.055 0.000 3.148 370 K HA -0.200 4.111 4.320 -0.015 0.000 0.267 370 K C -0.479 176.152 176.600 0.051 0.000 0.996 370 K CA 0.239 56.548 56.287 0.036 0.000 0.737 370 K CB -1.495 31.009 32.500 0.007 0.000 1.308 370 K HN 0.370 nan 8.250 nan 0.000 0.470 371 L N -1.058 120.209 121.223 0.073 0.000 2.286 371 L HA 0.311 4.642 4.340 -0.015 0.000 0.265 371 L C -1.305 175.594 176.870 0.048 0.000 1.012 371 L CA -2.512 52.362 54.840 0.057 0.000 0.818 371 L CB 1.239 43.329 42.059 0.052 0.000 1.337 371 L HN -0.193 nan 8.230 nan 0.000 0.438 372 P HA -0.108 nan 4.420 nan 0.000 0.218 372 P C -0.378 176.925 177.300 0.006 0.000 1.148 372 P CA 1.187 64.312 63.100 0.042 0.000 0.822 372 P CB 0.244 31.982 31.700 0.062 0.000 0.784 373 Q N -0.887 118.891 119.800 -0.038 0.000 2.301 373 Q HA 0.371 4.702 4.340 -0.015 0.000 0.267 373 Q C -2.428 173.399 176.000 -0.289 0.000 1.035 373 Q CA -2.369 53.357 55.803 -0.128 0.000 0.856 373 Q CB 1.300 29.975 28.738 -0.105 0.000 1.337 373 Q HN 0.082 nan 8.270 nan 0.000 0.450 374 P HA 0.153 nan 4.420 nan 0.000 0.279 374 P C -0.609 176.553 177.300 -0.229 0.000 1.276 374 P CA -0.455 62.391 63.100 -0.424 0.000 0.801 374 P CB 0.660 31.940 31.700 -0.700 0.000 1.127 375 S N 0.679 116.315 115.700 -0.107 0.000 3.065 375 S HA 0.139 4.600 4.470 -0.015 0.000 0.311 375 S C 0.427 175.030 174.600 0.004 0.000 1.204 375 S CA -0.236 57.971 58.200 0.012 0.000 1.040 375 S CB -1.334 61.925 63.200 0.100 0.000 1.436 375 S HN 0.291 nan 8.310 nan 0.000 0.532 376 L N 3.975 125.199 121.223 0.002 0.000 2.416 376 L HA 0.381 4.713 4.340 -0.015 0.000 0.272 376 L C 0.092 177.017 176.870 0.090 0.000 1.161 376 L CA 0.876 55.738 54.840 0.037 0.000 0.845 376 L CB 0.553 42.669 42.059 0.095 0.000 1.119 376 L HN 0.455 nan 8.230 nan 0.000 0.464 377 S N 2.893 118.658 115.700 0.109 0.000 2.618 377 S HA 0.858 5.319 4.470 -0.015 0.000 0.277 377 S C -1.114 173.574 174.600 0.147 0.000 1.138 377 S CA -0.373 57.944 58.200 0.194 0.000 0.844 377 S CB 2.053 65.463 63.200 0.349 0.000 1.127 377 S HN 0.734 nan 8.310 nan 0.000 0.474 378 V N -0.577 119.448 119.914 0.185 0.000 2.841 378 V HA 0.704 4.815 4.120 -0.015 0.000 0.310 378 V C -0.998 175.320 176.094 0.373 0.000 1.090 378 V CA -1.066 61.369 62.300 0.225 0.000 0.930 378 V CB 1.665 33.524 31.823 0.060 0.000 1.014 378 V HN 0.814 nan 8.190 nan 0.000 0.425 379 R N 3.501 124.206 120.500 0.342 0.000 2.404 379 R HA 0.743 5.074 4.340 -0.015 0.000 0.291 379 R C -1.028 175.543 176.300 0.453 0.000 1.025 379 R CA -0.679 55.618 56.100 0.329 0.000 0.991 379 R CB 1.545 31.881 30.300 0.061 0.000 1.053 379 R HN 0.658 nan 8.270 nan 0.000 0.479 380 I N 3.488 124.353 120.570 0.492 0.000 2.545 380 I HA 0.450 4.611 4.170 -0.015 0.000 0.292 380 I C -0.390 176.046 176.117 0.533 0.000 1.040 380 I CA -0.672 60.963 61.300 0.559 0.000 1.068 380 I CB 1.636 40.039 38.000 0.671 0.000 1.251 380 I HN 0.749 nan 8.210 nan 0.000 0.424 381 W N 5.463 126.878 121.300 0.192 0.000 3.039 381 W HA 0.437 5.088 4.660 -0.015 0.000 0.354 381 W C -0.012 176.578 176.519 0.119 0.000 1.206 381 W CA -0.864 56.557 57.345 0.126 0.000 1.134 381 W CB 0.424 29.932 29.460 0.081 0.000 1.493 381 W HN 0.531 nan 8.180 nan 0.000 0.591 382 N N 0.299 118.994 118.700 -0.008 0.000 2.137 382 N HA -0.209 4.522 4.740 -0.015 0.000 0.190 382 N C 0.968 176.110 175.510 -0.614 0.000 1.017 382 N CA 1.556 54.458 53.050 -0.247 0.000 0.859 382 N CB 0.002 38.418 38.487 -0.117 0.000 1.002 382 N HN 0.238 nan 8.380 nan 0.000 0.428 383 K N 0.643 120.151 120.400 -1.487 0.000 2.493 383 K HA 0.137 4.448 4.320 -0.015 0.000 0.207 383 K C -0.339 175.755 176.600 -0.844 0.000 1.033 383 K CA -0.082 55.478 56.287 -1.211 0.000 1.161 383 K CB 0.809 32.504 32.500 -1.343 0.000 0.873 383 K HN -0.025 nan 8.250 nan 0.000 0.491 384 T N 3.746 117.917 114.554 -0.639 0.000 2.902 384 T HA 0.057 4.398 4.350 -0.015 0.000 0.301 384 T C -2.360 172.341 174.700 0.002 0.000 1.012 384 T CA -0.815 61.236 62.100 -0.081 0.000 1.151 384 T CB 0.411 69.384 68.868 0.175 0.000 0.946 384 T HN 0.002 nan 8.240 nan 0.000 0.542 385 P HA 0.120 nan 4.420 nan 0.000 0.267 385 P C 0.530 177.922 177.300 0.153 0.000 1.205 385 P CA -0.278 62.884 63.100 0.104 0.000 0.765 385 P CB 0.506 32.291 31.700 0.141 0.000 0.828 386 D N 2.424 122.875 120.400 0.084 0.000 2.158 386 D HA -0.174 4.457 4.640 -0.015 0.000 0.197 386 D C 1.359 177.721 176.300 0.104 0.000 0.995 386 D CA 1.540 55.583 54.000 0.071 0.000 0.846 386 D CB -0.078 40.738 40.800 0.027 0.000 0.941 386 D HN 0.458 nan 8.370 nan 0.000 0.456 387 E N 0.005 120.285 120.200 0.132 0.000 2.118 387 E HA -0.135 4.206 4.350 -0.015 0.000 0.195 387 E C 1.756 178.521 176.600 0.276 0.000 0.992 387 E CA 0.362 56.854 56.400 0.154 0.000 0.804 387 E CB -0.454 29.331 29.700 0.141 0.000 0.741 387 E HN 0.310 nan 8.360 nan 0.000 0.458 388 F N 0.497 120.560 119.950 0.188 0.000 2.113 388 F HA -0.087 4.431 4.527 -0.015 0.000 0.297 388 F C 1.960 177.837 175.800 0.128 0.000 1.103 388 F CA 0.826 58.927 58.000 0.168 0.000 1.248 388 F CB -0.383 38.653 39.000 0.060 0.000 0.999 388 F HN 0.084 nan 8.300 nan 0.000 0.475 389 L N 0.364 121.636 121.223 0.081 0.000 2.046 389 L HA -0.153 4.178 4.340 -0.015 0.000 0.208 389 L C 2.084 178.939 176.870 -0.025 0.000 1.077 389 L CA 1.753 56.593 54.840 0.000 0.000 0.747 389 L CB -0.963 41.147 42.059 0.085 0.000 0.896 389 L HN 0.242 nan 8.230 nan 0.000 0.432 390 L N -1.028 120.195 121.223 -0.000 0.000 2.141 390 L HA -0.174 4.157 4.340 -0.015 0.000 0.209 390 L C 2.690 179.547 176.870 -0.022 0.000 1.094 390 L CA 0.966 55.794 54.840 -0.020 0.000 0.763 390 L CB -0.442 41.607 42.059 -0.017 0.000 0.908 390 L HN 0.255 nan 8.230 nan 0.000 0.437 391 R N 0.601 121.097 120.500 -0.007 0.000 2.092 391 R HA -0.067 4.264 4.340 -0.015 0.000 0.231 391 R C 2.190 178.489 176.300 -0.002 0.000 1.119 391 R CA 1.514 57.620 56.100 0.011 0.000 0.970 391 R CB -0.553 29.834 30.300 0.144 0.000 0.864 391 R HN 0.288 nan 8.270 nan 0.000 0.440 392 A N 0.121 122.868 122.820 -0.122 0.000 1.930 392 A HA -0.004 4.307 4.320 -0.015 0.000 0.217 392 A C 2.324 179.953 177.584 0.076 0.000 1.175 392 A CA 1.622 53.599 52.037 -0.101 0.000 0.627 392 A CB -0.942 17.938 19.000 -0.199 0.000 0.815 392 A HN 0.435 nan 8.150 nan 0.000 0.443 393 A N -0.232 122.626 122.820 0.063 0.000 1.902 393 A HA -0.176 4.135 4.320 -0.015 0.000 0.217 393 A C 1.926 179.526 177.584 0.026 0.000 1.181 393 A CA 1.602 53.651 52.037 0.021 0.000 0.623 393 A CB -0.517 18.440 19.000 -0.072 0.000 0.818 393 A HN 0.621 nan 8.150 nan 0.000 0.443 394 E N -0.845 119.389 120.200 0.057 0.000 2.110 394 E HA -0.202 4.140 4.350 -0.015 0.000 0.193 394 E C 1.934 178.691 176.600 0.262 0.000 0.988 394 E CA 1.278 57.755 56.400 0.129 0.000 0.804 394 E CB -0.236 29.513 29.700 0.082 0.000 0.745 394 E HN 0.530 nan 8.360 nan 0.000 0.458 395 L N 0.894 122.273 121.223 0.261 0.000 2.056 395 L HA -0.124 4.208 4.340 -0.015 0.000 0.207 395 L C 2.200 179.101 176.870 0.051 0.000 1.078 395 L CA 1.868 56.784 54.840 0.126 0.000 0.749 395 L CB -0.742 41.357 42.059 0.067 0.000 0.901 395 L HN -0.017 nan 8.230 nan 0.000 0.433 396 T N -0.386 114.217 114.554 0.081 0.000 2.759 396 T HA -0.255 4.086 4.350 -0.015 0.000 0.269 396 T C 1.983 176.701 174.700 0.029 0.000 1.042 396 T CA 1.709 63.859 62.100 0.084 0.000 1.140 396 T CB -0.327 68.606 68.868 0.109 0.000 0.864 396 T HN 0.356 nan 8.240 nan 0.000 0.455 397 R N 0.907 121.413 120.500 0.010 0.000 2.241 397 R HA -0.072 4.259 4.340 -0.015 0.000 0.224 397 R C 1.949 178.253 176.300 0.006 0.000 1.101 397 R CA 0.932 57.028 56.100 -0.007 0.000 0.995 397 R CB -0.016 30.282 30.300 -0.003 0.000 0.870 397 R HN 0.276 nan 8.270 nan 0.000 0.463 398 E N -0.335 119.869 120.200 0.006 0.000 2.338 398 E HA -0.056 4.286 4.350 -0.015 0.000 0.197 398 E C 0.998 177.584 176.600 -0.023 0.000 1.007 398 E CA 1.025 57.409 56.400 -0.026 0.000 0.849 398 E CB 0.040 29.676 29.700 -0.106 0.000 0.774 398 E HN 0.590 nan 8.360 nan 0.000 0.506 399 G N 1.263 110.059 108.800 -0.006 0.000 2.182 399 G HA2 -0.269 3.682 3.960 -0.015 0.000 0.248 399 G HA3 -0.269 3.682 3.960 -0.015 0.000 0.248 399 G C 0.687 175.586 174.900 -0.000 0.000 1.042 399 G CA 0.499 45.598 45.100 -0.001 0.000 0.775 399 G HN 0.314 nan 8.290 nan 0.000 0.501 400 L N -0.591 120.635 121.223 0.006 0.000 2.585 400 L HA 0.429 4.760 4.340 -0.015 0.000 0.226 400 L C 2.236 179.124 176.870 0.030 0.000 1.113 400 L CA 0.695 55.541 54.840 0.011 0.000 0.876 400 L CB 0.151 42.210 42.059 0.001 0.000 1.072 400 L HN 0.995 nan 8.230 nan 0.000 0.468 401 G N 0.538 109.368 108.800 0.050 0.000 2.176 401 G HA2 -0.251 3.700 3.960 -0.015 0.000 0.253 401 G HA3 -0.251 3.700 3.960 -0.015 0.000 0.253 401 G C 0.141 175.095 174.900 0.090 0.000 0.979 401 G CA -0.104 45.039 45.100 0.072 0.000 0.641 401 G HN 0.196 nan 8.290 nan 0.000 0.530 402 L N 1.813 123.080 121.223 0.072 0.000 2.344 402 L HA 0.652 4.984 4.340 -0.015 0.000 0.272 402 L C -1.758 175.141 176.870 0.049 0.000 1.035 402 L CA -2.339 52.535 54.840 0.056 0.000 0.807 402 L CB 1.985 44.066 42.059 0.037 0.000 1.237 402 L HN -0.015 nan 8.230 nan 0.000 0.442 403 P HA 0.359 nan 4.420 nan 0.000 0.288 403 P C -1.438 175.769 177.300 -0.154 0.000 1.297 403 P CA -0.689 62.340 63.100 -0.118 0.000 0.864 403 P CB 1.742 33.299 31.700 -0.239 0.000 1.237 404 A N 0.760 123.577 122.820 -0.006 0.000 2.354 404 A HA 0.507 4.819 4.320 -0.015 0.000 0.269 404 A C -0.950 176.583 177.584 -0.084 0.000 1.109 404 A CA -0.170 51.908 52.037 0.069 0.000 0.800 404 A CB -0.353 18.863 19.000 0.360 0.000 1.045 404 A HN 0.437 nan 8.150 nan 0.000 0.489 405 Y N 0.408 120.624 120.300 -0.140 0.000 2.341 405 Y HA 0.538 5.079 4.550 -0.015 0.000 0.337 405 Y C -0.759 175.116 175.900 -0.042 0.000 1.014 405 Y CA -0.016 58.129 58.100 0.075 0.000 1.111 405 Y CB 1.400 39.942 38.460 0.137 0.000 1.194 405 Y HN 0.587 nan 8.280 nan 0.000 0.462 406 Y N 1.105 121.732 120.300 0.544 0.000 2.409 406 Y HA 0.308 4.849 4.550 -0.015 0.000 0.343 406 Y C -0.164 175.695 175.900 -0.069 0.000 0.973 406 Y CA -1.356 56.903 58.100 0.265 0.000 1.064 406 Y CB 1.558 40.180 38.460 0.270 0.000 1.207 406 Y HN 0.512 nan 8.280 nan 0.000 0.452 407 N N 2.224 120.560 118.700 -0.608 0.000 2.500 407 N HA 0.110 4.841 4.740 -0.015 0.000 0.236 407 N C 0.117 175.388 175.510 -0.397 0.000 1.022 407 N CA -0.009 52.506 53.050 -0.893 0.000 0.935 407 N CB 0.632 38.110 38.487 -1.682 0.000 1.147 407 N HN 0.622 nan 8.380 nan 0.000 0.512 408 D N 1.692 122.062 120.400 -0.049 0.000 2.149 408 D HA -0.155 4.476 4.640 -0.015 0.000 0.198 408 D C 1.096 177.366 176.300 -0.050 0.000 0.990 408 D CA 1.201 55.238 54.000 0.062 0.000 0.839 408 D CB 0.342 41.254 40.800 0.186 0.000 0.948 408 D HN 0.597 nan 8.370 nan 0.000 0.460 409 E N -0.004 120.172 120.200 -0.041 0.000 2.209 409 E HA -0.110 4.231 4.350 -0.015 0.000 0.196 409 E C 2.084 178.624 176.600 -0.100 0.000 0.993 409 E CA 0.356 56.747 56.400 -0.014 0.000 0.819 409 E CB -0.163 29.555 29.700 0.030 0.000 0.745 409 E HN 0.252 nan 8.360 nan 0.000 0.477 410 V N -0.030 119.694 119.914 -0.317 0.000 3.048 410 V HA 0.027 4.138 4.120 -0.015 0.000 0.241 410 V C 1.992 177.784 176.094 -0.503 0.000 1.129 410 V CA 0.237 62.225 62.300 -0.520 0.000 1.128 410 V CB 0.029 31.381 31.823 -0.785 0.000 0.849 410 V HN 0.068 nan 8.190 nan 0.000 0.475 411 I N 0.342 120.546 120.570 -0.609 0.000 2.226 411 I HA -0.236 3.925 4.170 -0.015 0.000 0.245 411 I C 2.330 178.193 176.117 -0.423 0.000 1.100 411 I CA 2.137 63.036 61.300 -0.669 0.000 1.374 411 I CB -0.263 37.098 38.000 -1.064 0.000 1.057 411 I HN 0.279 nan 8.210 nan 0.000 0.413 412 I N 0.717 121.115 120.570 -0.286 0.000 2.127 412 I HA -0.212 3.949 4.170 -0.015 0.000 0.241 412 I C -0.358 175.733 176.117 -0.044 0.000 1.075 412 I CA 1.778 63.005 61.300 -0.121 0.000 1.334 412 I CB -1.657 36.330 38.000 -0.022 0.000 1.040 412 I HN 0.155 nan 8.210 nan 0.000 0.405 413 P HA -0.139 nan 4.420 nan 0.000 0.217 413 P C 1.492 178.873 177.300 0.134 0.000 1.150 413 P CA 1.711 64.881 63.100 0.116 0.000 0.832 413 P CB -0.024 31.829 31.700 0.256 0.000 0.787 414 A N -0.578 122.315 122.820 0.121 0.000 1.908 414 A HA -0.181 4.130 4.320 -0.015 0.000 0.218 414 A C 2.205 179.806 177.584 0.028 0.000 1.181 414 A CA 1.516 53.629 52.037 0.126 0.000 0.627 414 A CB -1.672 17.365 19.000 0.063 0.000 0.818 414 A HN 0.116 nan 8.150 nan 0.000 0.445 415 L N -0.646 120.548 121.223 -0.049 0.000 2.056 415 L HA -0.135 4.196 4.340 -0.015 0.000 0.207 415 L C 2.497 179.349 176.870 -0.031 0.000 1.078 415 L CA 0.959 55.750 54.840 -0.081 0.000 0.749 415 L CB -0.464 41.517 42.059 -0.129 0.000 0.901 415 L HN 0.248 nan 8.230 nan 0.000 0.433 416 V N -1.183 118.730 119.914 -0.001 0.000 2.407 416 V HA -0.274 3.837 4.120 -0.015 0.000 0.248 416 V C 2.650 178.772 176.094 0.048 0.000 1.055 416 V CA 1.894 64.210 62.300 0.026 0.000 1.049 416 V CB -0.324 31.520 31.823 0.036 0.000 0.662 416 V HN 0.448 nan 8.190 nan 0.000 0.455 417 S N -0.271 115.462 115.700 0.055 0.000 2.419 417 S HA -0.160 4.301 4.470 -0.015 0.000 0.233 417 S C 1.921 176.565 174.600 0.073 0.000 1.016 417 S CA 1.049 59.287 58.200 0.064 0.000 0.974 417 S CB -0.228 63.020 63.200 0.080 0.000 0.786 417 S HN 0.465 nan 8.310 nan 0.000 0.492 418 R N -0.059 120.484 120.500 0.073 0.000 2.310 418 R HA 0.218 4.550 4.340 -0.015 0.000 0.202 418 R C 1.567 177.995 176.300 0.214 0.000 0.933 418 R CA 0.751 56.930 56.100 0.132 0.000 1.054 418 R CB -0.146 30.179 30.300 0.042 0.000 0.985 418 R HN 0.564 nan 8.270 nan 0.000 0.489 419 G N 0.106 108.991 108.800 0.141 0.000 2.255 419 G HA2 -0.209 3.743 3.960 -0.015 0.000 0.196 419 G HA3 -0.209 3.743 3.960 -0.015 0.000 0.196 419 G C -0.150 174.851 174.900 0.169 0.000 0.998 419 G CA -0.586 44.615 45.100 0.169 0.000 0.656 419 G HN 0.118 nan 8.290 nan 0.000 0.490 420 L N 2.694 123.925 121.223 0.014 0.000 2.439 420 L HA 0.548 4.879 4.340 -0.015 0.000 0.269 420 L C 1.643 178.554 176.870 0.069 0.000 1.179 420 L CA 0.682 55.464 54.840 -0.097 0.000 0.828 420 L CB 0.829 42.719 42.059 -0.282 0.000 1.106 420 L HN 0.412 nan 8.230 nan 0.000 0.467 421 T N -0.527 114.116 114.554 0.149 0.000 2.813 421 T HA 0.151 4.492 4.350 -0.015 0.000 0.297 421 T C 1.099 175.842 174.700 0.072 0.000 1.036 421 T CA -0.571 61.599 62.100 0.116 0.000 1.044 421 T CB 0.505 69.452 68.868 0.132 0.000 0.993 421 T HN 0.486 nan 8.240 nan 0.000 0.535 422 L N 0.617 121.874 121.223 0.057 0.000 2.083 422 L HA -0.004 4.327 4.340 -0.015 0.000 0.209 422 L C 2.611 179.504 176.870 0.038 0.000 1.083 422 L CA 1.785 56.649 54.840 0.041 0.000 0.752 422 L CB -1.000 41.081 42.059 0.037 0.000 0.899 422 L HN 0.866 nan 8.230 nan 0.000 0.433 423 E N -0.616 119.613 120.200 0.047 0.000 2.051 423 E HA -0.229 4.112 4.350 -0.015 0.000 0.192 423 E C 1.775 178.409 176.600 0.057 0.000 0.991 423 E CA 1.423 57.849 56.400 0.043 0.000 0.799 423 E CB -0.093 29.637 29.700 0.050 0.000 0.748 423 E HN 0.564 nan 8.360 nan 0.000 0.449 424 D N 0.156 120.609 120.400 0.087 0.000 2.117 424 D HA -0.106 4.525 4.640 -0.015 0.000 0.198 424 D C 1.846 178.190 176.300 0.074 0.000 0.982 424 D CA 1.178 55.242 54.000 0.108 0.000 0.828 424 D CB -0.247 40.661 40.800 0.181 0.000 0.967 424 D HN 0.143 nan 8.370 nan 0.000 0.464 425 A N 0.960 123.807 122.820 0.045 0.000 1.902 425 A HA -0.184 4.127 4.320 -0.015 0.000 0.217 425 A C 2.138 179.794 177.584 0.120 0.000 1.181 425 A CA 1.235 53.300 52.037 0.046 0.000 0.623 425 A CB -0.477 18.527 19.000 0.006 0.000 0.818 425 A HN 0.126 nan 8.150 nan 0.000 0.443 426 R N -0.915 119.622 120.500 0.063 0.000 2.237 426 R HA -0.099 4.233 4.340 -0.015 0.000 0.219 426 R C 0.567 176.856 176.300 -0.018 0.000 1.080 426 R CA 1.221 57.332 56.100 0.019 0.000 0.995 426 R CB -0.167 30.100 30.300 -0.055 0.000 0.875 426 R HN 0.480 nan 8.270 nan 0.000 0.462 427 D N 0.008 120.420 120.400 0.020 0.000 2.491 427 D HA -0.015 4.617 4.640 -0.015 0.000 0.228 427 D C -0.484 175.815 176.300 -0.001 0.000 1.183 427 D CA -0.457 53.531 54.000 -0.020 0.000 0.827 427 D CB 0.027 40.843 40.800 0.027 0.000 0.989 427 D HN 0.129 nan 8.370 nan 0.000 0.494 428 Y N -1.043 119.237 120.300 -0.034 0.000 2.426 428 Y HA 0.542 5.083 4.550 -0.014 0.000 0.344 428 Y C 0.571 176.452 175.900 -0.031 0.000 1.256 428 Y CA -0.690 57.391 58.100 -0.031 0.000 1.451 428 Y CB 0.713 39.134 38.460 -0.064 0.000 1.342 428 Y HN -0.106 nan 8.280 nan 0.000 0.600 429 G N 2.726 111.579 108.800 0.088 0.000 2.658 429 G HA2 0.613 4.564 3.960 -0.015 0.000 0.292 429 G HA3 0.613 4.564 3.960 -0.015 0.000 0.292 429 G C -1.704 173.240 174.900 0.073 0.000 1.320 429 G CA -1.156 43.938 45.100 -0.010 0.000 0.933 429 G HN 0.618 nan 8.290 nan 0.000 0.476 430 I N 0.868 121.404 120.570 -0.057 0.000 2.437 430 I HA 0.392 4.554 4.170 -0.015 0.000 0.298 430 I C -0.414 175.659 176.117 -0.073 0.000 0.984 430 I CA -0.852 60.369 61.300 -0.132 0.000 1.214 430 I CB 1.601 39.352 38.000 -0.416 0.000 1.365 430 I HN 0.133 nan 8.210 nan 0.000 0.469 431 I N 4.103 124.611 120.570 -0.103 0.000 2.377 431 I HA 0.437 4.598 4.170 -0.015 0.000 0.293 431 I C 1.126 177.214 176.117 -0.047 0.000 0.987 431 I CA 0.124 61.386 61.300 -0.062 0.000 1.185 431 I CB 0.627 38.551 38.000 -0.127 0.000 1.341 431 I HN 0.873 nan 8.210 nan 0.000 0.455 432 G N 5.735 114.528 108.800 -0.013 0.000 2.686 432 G HA2 -0.354 3.597 3.960 -0.015 0.000 0.329 432 G HA3 -0.354 3.597 3.960 -0.015 0.000 0.329 432 G C 1.038 175.961 174.900 0.037 0.000 1.187 432 G CA 0.739 45.840 45.100 0.001 0.000 0.965 432 G HN 0.587 nan 8.290 nan 0.000 0.549 433 C N -0.663 118.576 119.300 -0.101 0.000 2.611 433 C HA 0.474 4.925 4.460 -0.015 0.000 0.283 433 C C 2.293 177.251 174.990 -0.054 0.000 1.340 433 C CA 2.271 61.236 59.018 -0.087 0.000 1.716 433 C CB -0.456 27.079 27.740 -0.342 0.000 2.134 433 C HN 1.450 nan 8.230 nan 0.000 0.526 434 V N -1.903 117.894 119.914 -0.196 0.000 3.663 434 V HA 0.326 4.437 4.120 -0.015 0.000 0.353 434 V C -0.866 175.271 176.094 0.072 0.000 1.551 434 V CA -0.146 62.197 62.300 0.071 0.000 1.331 434 V CB -0.878 30.928 31.823 -0.029 0.000 1.059 434 V HN 0.359 nan 8.190 nan 0.000 0.502 435 E N 4.721 124.882 120.200 -0.064 0.000 2.052 435 E HA 0.424 4.765 4.350 -0.015 0.000 0.283 435 E C -2.585 173.900 176.600 -0.192 0.000 1.071 435 E CA -1.708 54.638 56.400 -0.091 0.000 0.851 435 E CB 1.079 30.696 29.700 -0.138 0.000 1.066 435 E HN 0.436 nan 8.360 nan 0.000 0.396 436 P HA 0.031 nan 4.420 nan 0.000 0.278 436 P C -0.954 176.303 177.300 -0.072 0.000 1.238 436 P CA -0.413 62.655 63.100 -0.054 0.000 0.794 436 P CB 1.039 32.664 31.700 -0.124 0.000 0.955 437 Q N 0.120 119.944 119.800 0.039 0.000 2.633 437 Q HA 0.474 4.805 4.340 -0.015 0.000 0.289 437 Q C -1.486 174.611 176.000 0.162 0.000 0.940 437 Q CA -1.148 54.726 55.803 0.118 0.000 0.785 437 Q CB 0.962 29.828 28.738 0.213 0.000 1.467 437 Q HN 0.029 nan 8.270 nan 0.000 0.401 438 K N 2.010 122.509 120.400 0.165 0.000 2.284 438 K HA 0.430 4.742 4.320 -0.015 0.000 0.287 438 K C -2.593 174.133 176.600 0.210 0.000 1.081 438 K CA -1.883 54.510 56.287 0.177 0.000 0.910 438 K CB 0.806 33.414 32.500 0.179 0.000 1.088 438 K HN 0.376 nan 8.250 nan 0.000 0.478 439 P HA 0.104 nan 4.420 nan 0.000 0.268 439 P C 0.289 177.684 177.300 0.159 0.000 1.205 439 P CA 0.605 63.816 63.100 0.187 0.000 0.771 439 P CB 0.804 32.630 31.700 0.211 0.000 0.858 440 G N 1.953 110.825 108.800 0.120 0.000 2.162 440 G HA2 -0.304 3.647 3.960 -0.015 0.000 0.260 440 G HA3 -0.304 3.647 3.960 -0.015 0.000 0.260 440 G C 0.572 175.520 174.900 0.079 0.000 0.976 440 G CA 0.385 45.526 45.100 0.068 0.000 0.655 440 G HN 0.596 nan 8.290 nan 0.000 0.533 441 K N -0.568 119.916 120.400 0.139 0.000 2.582 441 K HA 0.196 4.508 4.320 -0.015 0.000 0.204 441 K C -0.128 176.592 176.600 0.200 0.000 1.221 441 K CA 0.299 56.668 56.287 0.137 0.000 1.048 441 K CB 1.295 33.912 32.500 0.196 0.000 1.011 441 K HN 0.267 nan 8.250 nan 0.000 0.597 442 T N 0.881 115.568 114.554 0.221 0.000 2.876 442 T HA 0.286 4.627 4.350 -0.015 0.000 0.289 442 T C -1.269 173.533 174.700 0.171 0.000 1.014 442 T CA -0.620 61.634 62.100 0.256 0.000 0.986 442 T CB 2.433 71.531 68.868 0.383 0.000 1.021 442 T HN -0.057 nan 8.240 nan 0.000 0.458 443 E N 0.993 121.260 120.200 0.112 0.000 2.346 443 E HA 0.526 4.867 4.350 -0.015 0.000 0.239 443 E C 0.787 177.423 176.600 0.060 0.000 0.943 443 E CA -0.539 55.904 56.400 0.071 0.000 0.751 443 E CB 0.029 29.721 29.700 -0.013 0.000 1.241 443 E HN 0.781 nan 8.360 nan 0.000 0.423 444 G N 2.465 111.296 108.800 0.052 0.000 2.887 444 G HA2 -0.079 3.872 3.960 -0.015 0.000 0.211 444 G HA3 -0.079 3.872 3.960 -0.015 0.000 0.211 444 G C -0.210 174.516 174.900 -0.291 0.000 1.152 444 G CA -0.340 44.599 45.100 -0.268 0.000 0.769 444 G HN 0.639 nan 8.290 nan 0.000 0.541 445 W N 1.352 122.450 121.300 -0.337 0.000 6.719 445 W HA -0.181 4.471 4.660 -0.013 0.000 0.406 445 W C 0.939 177.361 176.519 -0.162 0.000 1.551 445 W CA -0.121 57.115 57.345 -0.181 0.000 1.103 445 W CB -2.336 27.031 29.460 -0.155 0.000 2.735 445 W HN 0.450 nan 8.180 nan 0.000 1.586 446 H N -1.136 118.018 119.070 0.140 0.000 2.560 446 H HA -0.071 4.477 4.556 -0.014 0.000 0.283 446 H C 1.047 176.378 175.328 0.005 0.000 1.028 446 H CA 1.764 57.882 56.048 0.118 0.000 1.221 446 H CB 0.242 30.149 29.762 0.242 0.000 1.363 446 H HN 0.163 nan 8.280 nan 0.000 0.594 447 D N -0.362 119.878 120.400 -0.267 0.000 2.846 447 D HA 0.027 4.658 4.640 -0.015 0.000 0.279 447 D C 0.796 176.571 176.300 -0.875 0.000 1.222 447 D CA -0.063 53.678 54.000 -0.432 0.000 0.769 447 D CB 0.146 40.814 40.800 -0.220 0.000 1.299 447 D HN 0.081 nan 8.370 nan 0.000 0.537 448 S N -0.216 115.121 115.700 -0.605 0.000 2.527 448 S HA 0.541 5.002 4.470 -0.015 0.000 0.222 448 S C 0.845 175.204 174.600 -0.401 0.000 0.985 448 S CA 0.407 58.234 58.200 -0.622 0.000 0.921 448 S CB 0.366 63.590 63.200 0.040 0.000 0.772 448 S HN 0.500 nan 8.310 nan 0.000 0.529 449 A N -0.201 122.380 122.820 -0.398 0.000 2.549 449 A HA 0.630 4.941 4.320 -0.015 0.000 0.291 449 A C -1.868 175.510 177.584 -0.344 0.000 1.034 449 A CA -0.926 50.983 52.037 -0.213 0.000 0.655 449 A CB 0.093 19.109 19.000 0.026 0.000 1.299 449 A HN 0.284 nan 8.150 nan 0.000 0.427 450 F N 0.052 120.076 119.950 0.124 0.000 2.507 450 F HA 0.688 5.207 4.527 -0.014 0.000 0.325 450 F C -0.524 175.535 175.800 0.431 0.000 1.116 450 F CA -0.326 57.760 58.000 0.142 0.000 0.930 450 F CB 2.136 41.066 39.000 -0.117 0.000 1.146 450 F HN 0.564 nan 8.300 nan 0.000 0.447 451 F N 3.949 124.128 119.950 0.382 0.000 2.493 451 F HA 0.392 4.911 4.527 -0.014 0.000 0.329 451 F C -0.283 175.520 175.800 0.004 0.000 1.126 451 F CA -0.816 57.292 58.000 0.180 0.000 0.937 451 F CB 0.918 39.946 39.000 0.046 0.000 1.146 451 F HN 0.330 nan 8.300 nan 0.000 0.442 452 N N 6.920 125.188 118.700 -0.721 0.000 2.448 452 N HA 0.127 4.858 4.740 -0.015 0.000 0.250 452 N C 0.837 176.074 175.510 -0.455 0.000 1.136 452 N CA 0.206 52.802 53.050 -0.756 0.000 0.953 452 N CB 0.504 38.200 38.487 -1.318 0.000 1.251 452 N HN 0.876 nan 8.380 nan 0.000 0.502 453 L N 2.351 123.520 121.223 -0.090 0.000 2.131 453 L HA -0.126 4.205 4.340 -0.015 0.000 0.210 453 L C 2.256 179.139 176.870 0.022 0.000 1.092 453 L CA 1.164 56.045 54.840 0.068 0.000 0.759 453 L CB -0.342 41.763 42.059 0.076 0.000 0.903 453 L HN 0.503 nan 8.230 nan 0.000 0.435 454 A N -0.224 122.561 122.820 -0.058 0.000 1.972 454 A HA -0.161 4.150 4.320 -0.015 0.000 0.219 454 A C 2.375 179.901 177.584 -0.096 0.000 1.169 454 A CA 1.141 53.150 52.037 -0.047 0.000 0.635 454 A CB -0.354 18.610 19.000 -0.061 0.000 0.810 454 A HN 0.239 nan 8.150 nan 0.000 0.446 455 R N -0.327 120.039 120.500 -0.224 0.000 2.115 455 R HA -0.040 4.291 4.340 -0.015 0.000 0.230 455 R C 1.785 177.968 176.300 -0.195 0.000 1.111 455 R CA 0.916 56.850 56.100 -0.278 0.000 0.976 455 R CB -0.548 29.465 30.300 -0.478 0.000 0.870 455 R HN 0.497 nan 8.270 nan 0.000 0.445 456 I N 0.375 120.877 120.570 -0.114 0.000 2.394 456 I HA -0.166 3.995 4.170 -0.015 0.000 0.251 456 I C 2.342 178.524 176.117 0.108 0.000 1.136 456 I CA 0.914 62.221 61.300 0.013 0.000 1.425 456 I CB -0.928 37.136 38.000 0.108 0.000 1.079 456 I HN -0.132 nan 8.210 nan 0.000 0.425 457 V N 0.688 120.687 119.914 0.141 0.000 2.379 457 V HA -0.221 3.890 4.120 -0.015 0.000 0.245 457 V C 2.547 178.676 176.094 0.058 0.000 1.044 457 V CA 1.662 64.052 62.300 0.150 0.000 1.036 457 V CB -0.570 31.336 31.823 0.139 0.000 0.664 457 V HN 0.421 nan 8.190 nan 0.000 0.453 458 E N 0.216 120.415 120.200 -0.001 0.000 2.077 458 E HA -0.213 4.128 4.350 -0.015 0.000 0.193 458 E C 2.157 178.738 176.600 -0.031 0.000 0.989 458 E CA 1.334 57.714 56.400 -0.034 0.000 0.800 458 E CB -0.113 29.540 29.700 -0.079 0.000 0.746 458 E HN 0.564 nan 8.360 nan 0.000 0.452 459 L N 0.304 121.504 121.223 -0.038 0.000 2.291 459 L HA -0.091 4.240 4.340 -0.015 0.000 0.214 459 L C 2.411 179.283 176.870 0.003 0.000 1.120 459 L CA 0.998 55.833 54.840 -0.007 0.000 0.799 459 L CB -0.196 41.864 42.059 0.002 0.000 0.925 459 L HN 0.187 nan 8.230 nan 0.000 0.446 460 T N 0.002 114.533 114.554 -0.038 0.000 2.770 460 T HA -0.056 4.286 4.350 -0.015 0.000 0.263 460 T C 1.940 176.566 174.700 -0.124 0.000 1.039 460 T CA 1.024 63.040 62.100 -0.139 0.000 1.142 460 T CB -0.051 68.594 68.868 -0.371 0.000 0.868 460 T HN 0.181 nan 8.240 nan 0.000 0.435 461 I N 1.689 122.190 120.570 -0.114 0.000 2.361 461 I HA -0.120 4.041 4.170 -0.015 0.000 0.251 461 I C 1.533 177.666 176.117 0.027 0.000 1.133 461 I CA 0.965 62.146 61.300 -0.198 0.000 1.413 461 I CB -0.240 37.642 38.000 -0.197 0.000 1.073 461 I HN 0.184 nan 8.210 nan 0.000 0.424 462 N N 0.499 119.227 118.700 0.047 0.000 2.276 462 N HA 0.060 4.791 4.740 -0.015 0.000 0.212 462 N C 0.182 175.770 175.510 0.130 0.000 1.127 462 N CA 0.154 53.270 53.050 0.110 0.000 0.834 462 N CB 0.590 39.142 38.487 0.108 0.000 1.014 462 N HN 0.017 nan 8.380 nan 0.000 0.491 463 S N -0.195 115.562 115.700 0.095 0.000 3.614 463 S HA -0.196 4.266 4.470 -0.015 0.000 0.360 463 S C 1.269 175.928 174.600 0.099 0.000 1.023 463 S CA 0.816 59.066 58.200 0.083 0.000 1.114 463 S CB -1.640 61.607 63.200 0.079 0.000 0.907 463 S HN 0.761 nan 8.310 nan 0.000 0.470 464 G N -0.572 108.289 108.800 0.101 0.000 2.184 464 G HA2 -0.340 3.611 3.960 -0.015 0.000 0.264 464 G HA3 -0.340 3.611 3.960 -0.015 0.000 0.264 464 G C -0.057 174.935 174.900 0.153 0.000 0.975 464 G CA 0.392 45.561 45.100 0.114 0.000 0.642 464 G HN 0.817 nan 8.290 nan 0.000 0.536 465 F N 1.702 121.653 119.950 0.002 0.000 2.404 465 F HA 0.622 5.139 4.527 -0.016 0.000 0.345 465 F C 0.076 175.868 175.800 -0.013 0.000 1.110 465 F CA -0.894 57.103 58.000 -0.004 0.000 1.130 465 F CB 1.508 40.508 39.000 -0.001 0.000 1.129 465 F HN 0.105 nan 8.300 nan 0.000 0.500 466 D N 3.841 123.970 120.400 -0.452 0.000 2.977 466 D HA 0.264 4.895 4.640 -0.015 0.000 0.220 466 D C -1.181 174.864 176.300 -0.426 0.000 1.267 466 D CA -0.482 53.328 54.000 -0.316 0.000 0.884 466 D CB 1.045 41.729 40.800 -0.193 0.000 1.667 466 D HN 0.556 nan 8.370 nan 0.000 0.536 467 K N 2.906 123.130 120.400 -0.293 0.000 3.077 467 K HA -0.235 4.076 4.320 -0.015 0.000 0.264 467 K C -0.530 175.882 176.600 -0.313 0.000 1.008 467 K CA 0.613 56.759 56.287 -0.235 0.000 0.740 467 K CB -1.303 31.088 32.500 -0.182 0.000 1.273 467 K HN 0.671 nan 8.250 nan 0.000 0.477 468 N N -0.336 118.084 118.700 -0.466 0.000 2.740 468 N HA -0.194 4.538 4.740 -0.015 0.000 0.248 468 N C -0.812 174.372 175.510 -0.544 0.000 1.062 468 N CA 2.173 54.983 53.050 -0.400 0.000 0.704 468 N CB -0.763 37.707 38.487 -0.028 0.000 0.968 468 N HN 0.787 nan 8.380 nan 0.000 0.547 469 K N -2.153 117.581 120.400 -1.111 0.000 2.569 469 K HA 0.351 4.662 4.320 -0.015 0.000 0.259 469 K C -0.925 175.374 176.600 -0.502 0.000 0.932 469 K CA -0.922 55.056 56.287 -0.515 0.000 0.833 469 K CB 1.303 33.650 32.500 -0.255 0.000 1.340 469 K HN -0.158 nan 8.250 nan 0.000 0.429 470 Q N 3.444 123.217 119.800 -0.044 0.000 2.402 470 Q HA 0.188 4.520 4.340 -0.015 0.000 0.238 470 Q C 0.495 176.489 176.000 -0.009 0.000 1.126 470 Q CA -0.115 55.744 55.803 0.094 0.000 0.904 470 Q CB 0.214 29.057 28.738 0.175 0.000 1.357 470 Q HN 0.787 nan 8.270 nan 0.000 0.491 471 I N -0.110 120.450 120.570 -0.017 0.000 3.228 471 I HA 0.435 4.596 4.170 -0.015 0.000 0.279 471 I C 0.883 177.050 176.117 0.083 0.000 1.221 471 I CA 0.066 61.395 61.300 0.049 0.000 1.458 471 I CB 0.378 38.429 38.000 0.085 0.000 1.105 471 I HN 0.418 nan 8.210 nan 0.000 0.445 472 G N 0.879 109.701 108.800 0.038 0.000 2.932 472 G HA2 0.618 4.570 3.960 -0.015 0.000 0.283 472 G HA3 0.618 4.570 3.960 -0.015 0.000 0.283 472 G C -2.970 171.725 174.900 -0.340 0.000 1.336 472 G CA -1.621 43.374 45.100 -0.174 0.000 1.056 472 G HN -0.072 nan 8.290 nan 0.000 0.522 473 P HA 0.161 nan 4.420 nan 0.000 0.269 473 P C -0.507 176.725 177.300 -0.113 0.000 1.215 473 P CA -0.086 62.840 63.100 -0.290 0.000 0.780 473 P CB 0.636 32.203 31.700 -0.222 0.000 0.898 474 K N 2.301 122.655 120.400 -0.076 0.000 2.142 474 K HA 0.163 4.474 4.320 -0.015 0.000 0.250 474 K C -0.076 176.514 176.600 -0.017 0.000 1.148 474 K CA -0.260 56.013 56.287 -0.024 0.000 1.040 474 K CB -0.595 31.894 32.500 -0.018 0.000 1.569 474 K HN 0.498 nan 8.250 nan 0.000 0.361 475 T N -0.231 114.319 114.554 -0.007 0.000 2.788 475 T HA 0.015 4.356 4.350 -0.015 0.000 0.287 475 T C 0.315 175.029 174.700 0.023 0.000 1.007 475 T CA -0.824 61.275 62.100 -0.002 0.000 1.005 475 T CB 0.889 69.750 68.868 -0.012 0.000 1.012 475 T HN 0.595 nan 8.240 nan 0.000 0.530 476 Q N 0.779 120.598 119.800 0.033 0.000 2.304 476 Q HA -0.076 4.255 4.340 -0.015 0.000 0.315 476 Q C -0.397 175.667 176.000 0.107 0.000 1.075 476 Q CA 0.233 56.072 55.803 0.061 0.000 0.988 476 Q CB -0.088 28.692 28.738 0.070 0.000 1.146 476 Q HN 0.640 nan 8.270 nan 0.000 0.383 477 N N 4.109 122.868 118.700 0.099 0.000 2.447 477 N HA -0.055 4.676 4.740 -0.015 0.000 0.263 477 N C 0.174 175.822 175.510 0.229 0.000 1.226 477 N CA -0.083 53.046 53.050 0.132 0.000 0.906 477 N CB 0.310 38.841 38.487 0.073 0.000 1.060 477 N HN 0.619 nan 8.380 nan 0.000 0.468 478 F N 2.562 122.579 119.950 0.112 0.000 2.120 478 F HA -0.285 4.233 4.527 -0.015 0.000 0.300 478 F C 1.724 177.613 175.800 0.147 0.000 1.095 478 F CA 1.379 59.487 58.000 0.181 0.000 1.249 478 F CB 0.248 39.366 39.000 0.197 0.000 0.995 478 F HN 0.572 nan 8.300 nan 0.000 0.480 479 E N 0.333 120.540 120.200 0.011 0.000 2.209 479 E HA -0.227 4.115 4.350 -0.015 0.000 0.196 479 E C 1.514 178.066 176.600 -0.080 0.000 0.993 479 E CA 1.615 57.938 56.400 -0.129 0.000 0.819 479 E CB -0.222 29.450 29.700 -0.046 0.000 0.745 479 E HN 0.608 nan 8.360 nan 0.000 0.477 480 E N -0.266 119.940 120.200 0.010 0.000 2.474 480 E HA 0.108 4.449 4.350 -0.015 0.000 0.195 480 E C 0.032 176.680 176.600 0.080 0.000 1.039 480 E CA -0.205 56.215 56.400 0.033 0.000 0.881 480 E CB 0.188 29.914 29.700 0.043 0.000 0.970 480 E HN 0.260 nan 8.360 nan 0.000 0.486 481 M N 1.052 120.735 119.600 0.138 0.000 2.228 481 M HA 0.086 4.557 4.480 -0.015 0.000 0.351 481 M C 0.855 177.348 176.300 0.322 0.000 1.233 481 M CA 0.768 56.225 55.300 0.261 0.000 1.129 481 M CB 0.731 33.621 32.600 0.484 0.000 1.604 481 M HN -0.120 nan 8.290 nan 0.000 0.457 482 K N 0.403 120.965 120.400 0.271 0.000 2.391 482 K HA 0.132 4.443 4.320 -0.015 0.000 0.197 482 K C 0.071 176.843 176.600 0.287 0.000 1.087 482 K CA 0.059 56.509 56.287 0.271 0.000 1.012 482 K CB 0.744 33.326 32.500 0.135 0.000 0.925 482 K HN 0.762 nan 8.250 nan 0.000 0.547 483 S N -1.096 114.618 115.700 0.023 0.000 2.595 483 S HA 0.288 4.749 4.470 -0.015 0.000 0.281 483 S C 0.154 174.245 174.600 -0.849 0.000 1.117 483 S CA -0.864 57.180 58.200 -0.259 0.000 0.873 483 S CB 1.034 64.187 63.200 -0.079 0.000 1.108 483 S HN 0.074 nan 8.310 nan 0.000 0.477 484 F N 1.617 120.993 119.950 -0.957 0.000 2.293 484 F HA 0.033 4.552 4.527 -0.013 0.000 0.300 484 F C 1.558 177.204 175.800 -0.256 0.000 1.086 484 F CA 1.366 58.908 58.000 -0.763 0.000 1.375 484 F CB -0.377 38.427 39.000 -0.325 0.000 1.045 484 F HN 0.683 nan 8.300 nan 0.000 0.516 485 D N 0.353 120.625 120.400 -0.214 0.000 2.144 485 D HA -0.177 4.455 4.640 -0.015 0.000 0.199 485 D C 2.037 178.234 176.300 -0.172 0.000 0.984 485 D CA 1.388 55.281 54.000 -0.178 0.000 0.834 485 D CB -0.253 40.506 40.800 -0.069 0.000 0.955 485 D HN 0.493 nan 8.370 nan 0.000 0.465 486 E N -0.255 119.861 120.200 -0.140 0.000 2.106 486 E HA -0.144 4.197 4.350 -0.015 0.000 0.192 486 E C 1.887 178.468 176.600 -0.032 0.000 0.984 486 E CA 0.341 56.708 56.400 -0.054 0.000 0.806 486 E CB -0.145 29.561 29.700 0.010 0.000 0.750 486 E HN 0.219 nan 8.360 nan 0.000 0.458 487 F N 1.192 121.009 119.950 -0.222 0.000 2.102 487 F HA -0.211 4.308 4.527 -0.014 0.000 0.298 487 F C 2.175 177.845 175.800 -0.216 0.000 1.105 487 F CA 1.258 59.169 58.000 -0.150 0.000 1.239 487 F CB 0.010 38.920 39.000 -0.149 0.000 0.991 487 F HN -0.048 nan 8.300 nan 0.000 0.474 488 M N 0.428 119.840 119.600 -0.312 0.000 2.213 488 M HA -0.195 4.277 4.480 -0.015 0.000 0.263 488 M C 2.183 178.421 176.300 -0.103 0.000 1.062 488 M CA 1.452 56.600 55.300 -0.252 0.000 1.105 488 M CB -1.296 31.108 32.600 -0.327 0.000 1.385 488 M HN 0.228 nan 8.290 nan 0.000 0.417 489 K N 0.225 120.554 120.400 -0.117 0.000 2.057 489 K HA -0.060 4.251 4.320 -0.015 0.000 0.206 489 K C 1.948 178.502 176.600 -0.076 0.000 1.050 489 K CA 1.392 57.636 56.287 -0.071 0.000 0.935 489 K CB 0.032 32.498 32.500 -0.058 0.000 0.715 489 K HN 0.198 nan 8.250 nan 0.000 0.439 490 A N 0.413 123.162 122.820 -0.118 0.000 1.930 490 A HA -0.178 4.133 4.320 -0.015 0.000 0.217 490 A C 2.034 179.538 177.584 -0.133 0.000 1.175 490 A CA 1.265 53.227 52.037 -0.126 0.000 0.627 490 A CB -0.847 18.058 19.000 -0.158 0.000 0.815 490 A HN 0.595 nan 8.150 nan 0.000 0.443 491 Y N 0.774 120.860 120.300 -0.356 0.000 2.181 491 Y HA -0.222 4.319 4.550 -0.014 0.000 0.288 491 Y C 2.288 178.125 175.900 -0.105 0.000 1.146 491 Y CA 2.349 60.279 58.100 -0.283 0.000 1.164 491 Y CB -0.297 37.964 38.460 -0.332 0.000 0.982 491 Y HN 0.313 nan 8.280 nan 0.000 0.515 492 K N 0.027 120.352 120.400 -0.126 0.000 2.097 492 K HA -0.126 4.185 4.320 -0.015 0.000 0.205 492 K C 2.224 178.753 176.600 -0.118 0.000 1.050 492 K CA 1.133 57.322 56.287 -0.165 0.000 0.938 492 K CB -0.386 32.078 32.500 -0.060 0.000 0.718 492 K HN 0.382 nan 8.250 nan 0.000 0.442 493 A N 0.914 123.690 122.820 -0.073 0.000 1.898 493 A HA -0.164 4.148 4.320 -0.015 0.000 0.216 493 A C 2.055 179.647 177.584 0.013 0.000 1.181 493 A CA 1.187 53.206 52.037 -0.031 0.000 0.620 493 A CB -0.404 18.578 19.000 -0.031 0.000 0.819 493 A HN 0.342 nan 8.150 nan 0.000 0.442 494 Q N -1.397 118.411 119.800 0.015 0.000 2.079 494 Q HA -0.157 4.174 4.340 -0.015 0.000 0.200 494 Q C 2.063 178.217 176.000 0.258 0.000 0.974 494 Q CA 1.702 57.597 55.803 0.154 0.000 0.840 494 Q CB -0.505 28.312 28.738 0.131 0.000 0.898 494 Q HN 0.669 nan 8.270 nan 0.000 0.430 495 M N 1.277 120.904 119.600 0.045 0.000 2.080 495 M HA -0.180 4.291 4.480 -0.015 0.000 0.260 495 M C 1.919 178.265 176.300 0.076 0.000 1.068 495 M CA 1.595 56.926 55.300 0.050 0.000 1.109 495 M CB -0.345 32.117 32.600 -0.231 0.000 1.342 495 M HN 0.074 nan 8.290 nan 0.000 0.405 496 E N -0.957 119.250 120.200 0.012 0.000 2.070 496 E HA -0.270 4.071 4.350 -0.015 0.000 0.197 496 E C 2.091 178.704 176.600 0.021 0.000 1.004 496 E CA 1.827 58.226 56.400 -0.003 0.000 0.805 496 E CB -0.699 28.993 29.700 -0.012 0.000 0.744 496 E HN 0.690 nan 8.360 nan 0.000 0.451 497 Y N 0.014 120.278 120.300 -0.060 0.000 2.114 497 Y HA -0.234 4.306 4.550 -0.017 0.000 0.284 497 Y C 2.222 178.050 175.900 -0.119 0.000 1.143 497 Y CA 2.215 60.225 58.100 -0.150 0.000 1.135 497 Y CB -0.715 37.572 38.460 -0.288 0.000 0.980 497 Y HN -0.017 nan 8.280 nan 0.000 0.499 498 F N -1.149 118.955 119.950 0.256 0.000 2.234 498 F HA -0.156 4.364 4.527 -0.013 0.000 0.299 498 F C 2.366 178.231 175.800 0.109 0.000 1.087 498 F CA 1.253 59.441 58.000 0.312 0.000 1.340 498 F CB -0.939 38.378 39.000 0.529 0.000 1.031 498 F HN -0.117 nan 8.300 nan 0.000 0.500 499 V N 0.205 120.174 119.914 0.092 0.000 2.427 499 V HA -0.276 3.835 4.120 -0.015 0.000 0.248 499 V C 2.518 178.283 176.094 -0.549 0.000 1.051 499 V CA 1.746 63.862 62.300 -0.307 0.000 1.048 499 V CB -0.563 31.018 31.823 -0.403 0.000 0.666 499 V HN 0.274 nan 8.190 nan 0.000 0.456 500 K N -0.574 119.546 120.400 -0.466 0.000 2.032 500 K HA -0.237 4.075 4.320 -0.015 0.000 0.209 500 K C 2.199 178.387 176.600 -0.687 0.000 1.048 500 K CA 1.832 57.740 56.287 -0.630 0.000 0.927 500 K CB -0.265 31.965 32.500 -0.450 0.000 0.712 500 K HN 0.522 nan 8.250 nan 0.000 0.441 501 H N 0.163 118.990 119.070 -0.405 0.000 2.457 501 H HA -0.090 4.458 4.556 -0.014 0.000 0.294 501 H C 2.019 177.198 175.328 -0.249 0.000 1.064 501 H CA 1.469 57.368 56.048 -0.248 0.000 1.330 501 H CB -0.065 29.617 29.762 -0.134 0.000 1.395 501 H HN 0.365 nan 8.280 nan 0.000 0.541 502 M N -0.049 119.230 119.600 -0.535 0.000 2.099 502 M HA -0.152 4.319 4.480 -0.015 0.000 0.262 502 M C 2.176 178.236 176.300 -0.400 0.000 1.067 502 M CA 1.517 56.289 55.300 -0.880 0.000 1.124 502 M CB -0.155 31.724 32.600 -1.203 0.000 1.353 502 M HN 0.168 nan 8.290 nan 0.000 0.410 503 C N -0.086 118.862 119.300 -0.586 0.000 2.435 503 C HA -0.102 4.349 4.460 -0.015 0.000 0.279 503 C C 2.841 177.630 174.990 -0.336 0.000 1.321 503 C CA 0.513 59.145 59.018 -0.644 0.000 1.752 503 C CB -1.430 25.354 27.740 -1.594 0.000 1.959 503 C HN 0.740 nan 8.230 nan 0.000 0.500 504 C N 0.855 119.966 119.300 -0.315 0.000 2.440 504 C HA -0.003 4.448 4.460 -0.015 0.000 0.278 504 C C 3.112 178.123 174.990 0.033 0.000 1.295 504 C CA 1.159 60.109 59.018 -0.113 0.000 1.738 504 C CB -1.452 26.226 27.740 -0.104 0.000 1.987 504 C HN 0.701 nan 8.230 nan 0.000 0.492 505 A N 0.581 123.445 122.820 0.074 0.000 1.902 505 A HA -0.199 4.112 4.320 -0.015 0.000 0.217 505 A C 1.835 179.553 177.584 0.224 0.000 1.181 505 A CA 2.070 54.211 52.037 0.173 0.000 0.623 505 A CB -0.594 18.551 19.000 0.242 0.000 0.818 505 A HN 0.506 nan 8.150 nan 0.000 0.443 506 D N 0.147 120.689 120.400 0.236 0.000 2.117 506 D HA -0.126 4.505 4.640 -0.015 0.000 0.197 506 D C 1.607 178.117 176.300 0.350 0.000 0.987 506 D CA 1.152 55.390 54.000 0.396 0.000 0.829 506 D CB -0.300 40.784 40.800 0.474 0.000 0.961 506 D HN 0.349 nan 8.370 nan 0.000 0.460 507 N N -0.164 118.667 118.700 0.218 0.000 2.244 507 N HA -0.100 4.631 4.740 -0.015 0.000 0.183 507 N C 1.887 177.435 175.510 0.063 0.000 1.016 507 N CA 0.423 53.526 53.050 0.088 0.000 0.866 507 N CB -0.510 38.012 38.487 0.060 0.000 0.980 507 N HN 0.242 nan 8.380 nan 0.000 0.430 508 C N 0.459 119.835 119.300 0.127 0.000 2.440 508 C HA 0.104 4.555 4.460 -0.015 0.000 0.278 508 C C 2.661 177.790 174.990 0.232 0.000 1.295 508 C CA -0.065 59.037 59.018 0.139 0.000 1.738 508 C CB -0.920 26.949 27.740 0.215 0.000 1.987 508 C HN 0.393 nan 8.230 nan 0.000 0.492 509 I N 0.578 121.353 120.570 0.342 0.000 2.439 509 I HA -0.151 4.010 4.170 -0.015 0.000 0.251 509 I C 2.392 178.853 176.117 0.574 0.000 1.139 509 I CA 1.333 62.915 61.300 0.469 0.000 1.438 509 I CB -0.518 37.829 38.000 0.578 0.000 1.085 509 I HN 0.331 nan 8.210 nan 0.000 0.427 510 D N 1.406 122.071 120.400 0.442 0.000 2.097 510 D HA -0.156 4.475 4.640 -0.015 0.000 0.195 510 D C 2.252 178.618 176.300 0.109 0.000 0.989 510 D CA 1.482 55.552 54.000 0.117 0.000 0.827 510 D CB 0.029 40.560 40.800 -0.447 0.000 0.966 510 D HN 0.283 nan 8.370 nan 0.000 0.456 511 I N 0.873 121.455 120.570 0.020 0.000 2.226 511 I HA -0.244 3.917 4.170 -0.015 0.000 0.245 511 I C 2.578 178.745 176.117 0.084 0.000 1.100 511 I CA 0.971 62.239 61.300 -0.053 0.000 1.374 511 I CB -0.245 37.564 38.000 -0.319 0.000 1.057 511 I HN -0.046 nan 8.210 nan 0.000 0.413 512 A N 0.060 122.989 122.820 0.182 0.000 1.933 512 A HA -0.242 4.069 4.320 -0.015 0.000 0.218 512 A C 2.229 179.907 177.584 0.156 0.000 1.175 512 A CA 1.535 53.699 52.037 0.211 0.000 0.628 512 A CB -0.887 18.226 19.000 0.189 0.000 0.814 512 A HN 0.419 nan 8.150 nan 0.000 0.444 513 H N -0.661 118.547 119.070 0.229 0.000 2.389 513 H HA -0.005 4.542 4.556 -0.015 0.000 0.299 513 H C 2.534 177.974 175.328 0.187 0.000 1.081 513 H CA 1.415 57.605 56.048 0.236 0.000 1.345 513 H CB -0.239 29.681 29.762 0.264 0.000 1.393 513 H HN 0.529 nan 8.280 nan 0.000 0.520 514 A N 0.715 123.685 122.820 0.249 0.000 1.930 514 A HA -0.152 4.159 4.320 -0.015 0.000 0.217 514 A C 2.321 179.989 177.584 0.139 0.000 1.175 514 A CA 1.554 53.681 52.037 0.150 0.000 0.627 514 A CB -0.255 18.782 19.000 0.062 0.000 0.815 514 A HN 0.450 nan 8.150 nan 0.000 0.443 515 E N -0.830 119.459 120.200 0.148 0.000 2.112 515 E HA -0.064 4.277 4.350 -0.015 0.000 0.190 515 E C 1.989 178.685 176.600 0.160 0.000 0.979 515 E CA 0.716 57.204 56.400 0.147 0.000 0.814 515 E CB 0.066 29.875 29.700 0.181 0.000 0.762 515 E HN 0.565 nan 8.360 nan 0.000 0.460 516 R N -1.347 119.262 120.500 0.180 0.000 2.394 516 R HA 0.296 4.627 4.340 -0.015 0.000 0.220 516 R C 0.231 176.677 176.300 0.243 0.000 0.887 516 R CA 0.544 56.766 56.100 0.203 0.000 1.034 516 R CB 1.267 31.675 30.300 0.180 0.000 1.179 516 R HN -0.074 nan 8.270 nan 0.000 0.561 517 A N 2.259 125.236 122.820 0.261 0.000 2.959 517 A HA 0.312 4.623 4.320 -0.015 0.000 0.280 517 A C -2.532 175.242 177.584 0.317 0.000 0.953 517 A CA -1.192 51.036 52.037 0.319 0.000 1.047 517 A CB 0.232 19.502 19.000 0.450 0.000 1.147 517 A HN -0.096 nan 8.150 nan 0.000 0.489 518 P HA 0.263 nan 4.420 nan 0.000 0.271 518 P C -0.598 176.842 177.300 0.233 0.000 1.216 518 P CA 0.234 63.465 63.100 0.219 0.000 0.771 518 P CB 1.093 32.904 31.700 0.186 0.000 0.864 519 L N 5.995 127.351 121.223 0.222 0.000 2.264 519 L HA 0.267 4.599 4.340 -0.015 0.000 0.287 519 L C -1.522 175.482 176.870 0.224 0.000 1.039 519 L CA -2.111 52.858 54.840 0.216 0.000 0.829 519 L CB 1.573 43.746 42.059 0.190 0.000 1.211 519 L HN 0.166 nan 8.230 nan 0.000 0.427 520 P HA -0.173 nan 4.420 nan 0.000 0.215 520 P C 1.480 178.834 177.300 0.090 0.000 1.157 520 P CA 1.106 64.266 63.100 0.099 0.000 0.863 520 P CB 0.213 31.923 31.700 0.016 0.000 0.787 521 F N -0.027 119.918 119.950 -0.008 0.000 2.084 521 F HA -0.154 4.364 4.527 -0.015 0.000 0.296 521 F C 2.099 177.900 175.800 0.002 0.000 1.111 521 F CA 1.000 58.984 58.000 -0.026 0.000 1.224 521 F CB -0.829 38.141 39.000 -0.051 0.000 0.991 521 F HN -0.257 nan 8.300 nan 0.000 0.471 522 L N 0.138 121.363 121.223 0.004 0.000 2.042 522 L HA -0.226 4.106 4.340 -0.015 0.000 0.210 522 L C 2.410 179.219 176.870 -0.102 0.000 1.076 522 L CA 2.157 56.935 54.840 -0.103 0.000 0.749 522 L CB -1.003 41.069 42.059 0.022 0.000 0.893 522 L HN 0.121 nan 8.230 nan 0.000 0.432 523 S N -0.701 115.013 115.700 0.023 0.000 2.400 523 S HA -0.187 4.274 4.470 -0.015 0.000 0.232 523 S C 2.032 176.673 174.600 0.068 0.000 1.025 523 S CA 1.300 59.558 58.200 0.096 0.000 0.993 523 S CB -0.612 62.766 63.200 0.297 0.000 0.808 523 S HN 0.787 nan 8.310 nan 0.000 0.478 524 S N 1.271 116.959 115.700 -0.020 0.000 2.469 524 S HA 0.038 4.499 4.470 -0.015 0.000 0.238 524 S C 1.314 175.853 174.600 -0.102 0.000 0.998 524 S CA 0.785 58.951 58.200 -0.057 0.000 0.957 524 S CB -0.475 62.646 63.200 -0.133 0.000 0.764 524 S HN 0.497 nan 8.310 nan 0.000 0.514 525 M N 1.479 120.977 119.600 -0.170 0.000 2.475 525 M HA 0.350 4.822 4.480 -0.015 0.000 0.283 525 M C -1.034 175.197 176.300 -0.116 0.000 1.165 525 M CA -0.065 55.129 55.300 -0.177 0.000 0.976 525 M CB 1.135 33.555 32.600 -0.300 0.000 1.428 525 M HN 0.051 nan 8.290 nan 0.000 0.495 526 V N 0.059 119.936 119.914 -0.061 0.000 2.577 526 V HA 0.269 4.380 4.120 -0.015 0.000 0.303 526 V C -0.539 175.547 176.094 -0.014 0.000 1.042 526 V CA -1.208 61.075 62.300 -0.028 0.000 0.872 526 V CB 1.928 33.742 31.823 -0.015 0.000 0.998 526 V HN 0.098 nan 8.190 nan 0.000 0.423 527 D N 3.278 123.671 120.400 -0.011 0.000 2.548 527 D HA 0.050 4.681 4.640 -0.015 0.000 0.231 527 D C 1.090 177.363 176.300 -0.045 0.000 1.142 527 D CA 1.473 55.461 54.000 -0.022 0.000 0.866 527 D CB 0.103 40.890 40.800 -0.022 0.000 1.190 527 D HN 0.834 nan 8.370 nan 0.000 0.469 528 N N -0.195 118.483 118.700 -0.037 0.000 2.921 528 N HA -0.268 4.463 4.740 -0.015 0.000 0.205 528 N C 1.027 176.513 175.510 -0.040 0.000 0.945 528 N CA 0.944 53.964 53.050 -0.050 0.000 1.048 528 N CB -1.266 37.165 38.487 -0.093 0.000 0.981 528 N HN 0.382 nan 8.380 nan 0.000 0.590 529 C N 1.306 120.591 119.300 -0.025 0.000 2.413 529 C HA -0.090 4.361 4.460 -0.015 0.000 0.278 529 C C 2.675 177.726 174.990 0.101 0.000 1.224 529 C CA 1.117 60.123 59.018 -0.019 0.000 1.732 529 C CB -1.121 26.655 27.740 0.060 0.000 2.050 529 C HN 0.405 nan 8.230 nan 0.000 0.463 530 I N 0.847 121.522 120.570 0.175 0.000 2.226 530 I HA -0.116 4.045 4.170 -0.015 0.000 0.245 530 I C 2.712 178.913 176.117 0.140 0.000 1.100 530 I CA 1.831 63.264 61.300 0.222 0.000 1.374 530 I CB -0.981 37.092 38.000 0.122 0.000 1.057 530 I HN 0.479 nan 8.210 nan 0.000 0.413 531 G N 0.825 109.667 108.800 0.071 0.000 2.422 531 G HA2 -0.192 3.759 3.960 -0.015 0.000 0.218 531 G HA3 -0.192 3.759 3.960 -0.015 0.000 0.218 531 G C 1.695 176.619 174.900 0.040 0.000 1.146 531 G CA 0.524 45.652 45.100 0.048 0.000 0.769 531 G HN 0.195 nan 8.290 nan 0.000 0.547 532 K N 0.172 120.572 120.400 -0.001 0.000 2.361 532 K HA 0.117 4.428 4.320 -0.015 0.000 0.196 532 K C 1.644 178.214 176.600 -0.051 0.000 1.039 532 K CA 0.622 56.883 56.287 -0.044 0.000 1.001 532 K CB 0.009 32.446 32.500 -0.105 0.000 0.795 532 K HN 0.389 nan 8.250 nan 0.000 0.495 533 G N 2.317 111.117 108.800 -0.001 0.000 2.221 533 G HA2 -0.293 3.659 3.960 -0.015 0.000 0.265 533 G HA3 -0.293 3.659 3.960 -0.015 0.000 0.265 533 G C -0.306 174.383 174.900 -0.353 0.000 1.041 533 G CA 0.513 45.651 45.100 0.063 0.000 0.807 533 G HN 0.307 nan 8.290 nan 0.000 0.502 534 K N -0.111 119.849 120.400 -0.734 0.000 2.469 534 K HA 0.619 4.930 4.320 -0.015 0.000 0.254 534 K C 0.519 176.432 176.600 -1.145 0.000 0.939 534 K CA -0.214 55.530 56.287 -0.906 0.000 0.812 534 K CB 1.899 34.149 32.500 -0.416 0.000 1.301 534 K HN 0.379 nan 8.250 nan 0.000 0.433 535 S N 1.177 116.344 115.700 -0.889 0.000 2.624 535 S HA 0.115 4.576 4.470 -0.015 0.000 0.263 535 S C 1.139 175.634 174.600 -0.174 0.000 1.287 535 S CA -0.563 57.427 58.200 -0.351 0.000 0.990 535 S CB 0.455 63.650 63.200 -0.008 0.000 0.950 535 S HN 0.483 nan 8.310 nan 0.000 0.561 536 L N 0.986 122.182 121.223 -0.045 0.000 2.046 536 L HA -0.051 4.280 4.340 -0.015 0.000 0.208 536 L C 2.672 179.511 176.870 -0.052 0.000 1.077 536 L CA 1.832 56.648 54.840 -0.041 0.000 0.747 536 L CB -1.753 40.311 42.059 0.008 0.000 0.896 536 L HN 0.739 nan 8.230 nan 0.000 0.432 537 Q N -0.697 119.098 119.800 -0.008 0.000 2.226 537 Q HA -0.118 4.213 4.340 -0.015 0.000 0.204 537 Q C 1.181 177.145 176.000 -0.060 0.000 0.975 537 Q CA 1.149 56.954 55.803 0.003 0.000 0.866 537 Q CB -0.205 28.588 28.738 0.093 0.000 0.915 537 Q HN 0.454 nan 8.270 nan 0.000 0.440 538 D N -1.389 118.956 120.400 -0.093 0.000 2.358 538 D HA 0.194 4.825 4.640 -0.015 0.000 0.224 538 D C 0.382 176.588 176.300 -0.156 0.000 1.123 538 D CA 0.599 54.524 54.000 -0.124 0.000 0.833 538 D CB 0.583 41.300 40.800 -0.138 0.000 0.946 538 D HN 0.352 nan 8.370 nan 0.000 0.505 539 G N 0.855 109.558 108.800 -0.162 0.000 2.141 539 G HA2 -0.281 3.670 3.960 -0.015 0.000 0.242 539 G HA3 -0.281 3.670 3.960 -0.015 0.000 0.242 539 G C 1.255 176.053 174.900 -0.170 0.000 0.982 539 G CA 0.138 45.135 45.100 -0.171 0.000 0.662 539 G HN 0.448 nan 8.290 nan 0.000 0.527 540 G N 0.413 109.106 108.800 -0.178 0.000 2.470 540 G HA2 0.383 4.334 3.960 -0.015 0.000 0.220 540 G HA3 0.383 4.334 3.960 -0.015 0.000 0.220 540 G C 1.176 175.993 174.900 -0.138 0.000 1.121 540 G CA 1.508 46.503 45.100 -0.176 0.000 0.766 540 G HN 1.834 nan 8.290 nan 0.000 0.553 541 A N 0.243 122.989 122.820 -0.123 0.000 2.445 541 A HA 0.425 4.736 4.320 -0.015 0.000 0.242 541 A C 1.382 178.866 177.584 -0.166 0.000 1.075 541 A CA 0.596 52.569 52.037 -0.107 0.000 0.777 541 A CB 0.511 19.474 19.000 -0.062 0.000 1.013 541 A HN 0.263 nan 8.150 nan 0.000 0.493 542 E N 0.832 120.903 120.200 -0.216 0.000 2.077 542 E HA -0.121 4.220 4.350 -0.015 0.000 0.193 542 E C -0.494 175.789 176.600 -0.529 0.000 0.989 542 E CA 1.584 57.733 56.400 -0.418 0.000 0.800 542 E CB -0.231 29.119 29.700 -0.583 0.000 0.746 542 E HN 0.676 nan 8.360 nan 0.000 0.452 543 Y N 0.218 120.456 120.300 -0.103 0.000 2.364 543 Y HA 0.488 5.029 4.550 -0.015 0.000 0.340 543 Y C -0.209 175.471 175.900 -0.366 0.000 0.975 543 Y CA -1.234 56.732 58.100 -0.224 0.000 1.089 543 Y CB 1.606 40.051 38.460 -0.025 0.000 1.192 543 Y HN -0.152 nan 8.280 nan 0.000 0.454 544 N N 3.758 122.136 118.700 -0.537 0.000 2.249 544 N HA 0.551 5.282 4.740 -0.015 0.000 0.296 544 N C -1.558 173.423 175.510 -0.882 0.000 1.051 544 N CA -0.451 52.284 53.050 -0.525 0.000 0.815 544 N CB 2.244 40.517 38.487 -0.356 0.000 1.487 544 N HN 0.504 nan 8.380 nan 0.000 0.475 545 F N -0.420 119.443 119.950 -0.145 0.000 2.754 545 F HA 0.486 5.004 4.527 -0.015 0.000 0.320 545 F C -0.071 175.527 175.800 -0.337 0.000 1.156 545 F CA -0.686 57.198 58.000 -0.193 0.000 0.950 545 F CB 1.857 40.784 39.000 -0.123 0.000 1.388 545 F HN 0.118 nan 8.300 nan 0.000 0.485 546 S N -0.444 115.125 115.700 -0.219 0.000 2.575 546 S HA 0.690 5.151 4.470 -0.015 0.000 0.278 546 S C -0.759 173.670 174.600 -0.285 0.000 1.139 546 S CA -0.811 57.110 58.200 -0.464 0.000 0.954 546 S CB 1.889 64.209 63.200 -1.467 0.000 1.054 546 S HN 0.978 nan 8.310 nan 0.000 0.483 547 G N 3.794 112.544 108.800 -0.084 0.000 2.866 547 G HA2 0.618 4.569 3.960 -0.015 0.000 0.291 547 G HA3 0.618 4.569 3.960 -0.015 0.000 0.291 547 G C -3.263 171.622 174.900 -0.025 0.000 1.476 547 G CA -1.524 43.572 45.100 -0.006 0.000 1.048 547 G HN 0.368 nan 8.290 nan 0.000 0.542 548 P HA 0.414 nan 4.420 nan 0.000 0.296 548 P C -1.067 176.244 177.300 0.018 0.000 1.301 548 P CA -0.644 62.453 63.100 -0.005 0.000 0.862 548 P CB 2.616 34.375 31.700 0.098 0.000 1.046 549 Q N 0.805 120.529 119.800 -0.126 0.000 2.256 549 Q HA 0.624 4.955 4.340 -0.015 0.000 0.257 549 Q C 0.423 176.414 176.000 -0.014 0.000 0.936 549 Q CA -0.203 55.509 55.803 -0.151 0.000 0.903 549 Q CB 1.118 29.549 28.738 -0.512 0.000 1.263 549 Q HN 0.576 nan 8.270 nan 0.000 0.440 550 G N 0.563 109.247 108.800 -0.193 0.000 2.348 550 G HA2 0.579 4.530 3.960 -0.015 0.000 0.312 550 G HA3 0.579 4.530 3.960 -0.015 0.000 0.312 550 G C -1.064 173.777 174.900 -0.099 0.000 1.126 550 G CA -0.368 44.445 45.100 -0.479 0.000 0.865 550 G HN 0.395 nan 8.290 nan 0.000 0.474 551 V N 1.222 121.157 119.914 0.035 0.000 2.540 551 V HA 0.818 4.929 4.120 -0.015 0.000 0.302 551 V C 0.812 176.949 176.094 0.071 0.000 1.035 551 V CA 0.412 62.777 62.300 0.108 0.000 0.873 551 V CB 1.282 33.256 31.823 0.251 0.000 0.992 551 V HN 1.694 nan 8.190 nan 0.000 0.428 552 G N 3.145 111.978 108.800 0.055 0.000 2.181 552 G HA2 -0.156 3.795 3.960 -0.015 0.000 0.152 552 G HA3 -0.156 3.795 3.960 -0.015 0.000 0.152 552 G C 0.302 175.207 174.900 0.009 0.000 1.026 552 G CA -0.003 45.119 45.100 0.037 0.000 0.699 552 G HN 0.614 nan 8.290 nan 0.000 0.497 553 V N 0.533 120.441 119.914 -0.010 0.000 2.255 553 V HA -0.141 3.970 4.120 -0.015 0.000 0.247 553 V C 3.251 179.248 176.094 -0.161 0.000 1.051 553 V CA 3.326 65.577 62.300 -0.083 0.000 1.018 553 V CB -1.041 30.721 31.823 -0.101 0.000 0.641 553 V HN 1.038 nan 8.190 nan 0.000 0.445 554 A N 0.436 123.199 122.820 -0.094 0.000 1.933 554 A HA -0.267 4.044 4.320 -0.015 0.000 0.218 554 A C 1.994 179.574 177.584 -0.006 0.000 1.175 554 A CA 2.336 54.342 52.037 -0.051 0.000 0.628 554 A CB -0.877 18.250 19.000 0.211 0.000 0.814 554 A HN 0.691 nan 8.150 nan 0.000 0.444 555 N N -0.344 118.366 118.700 0.018 0.000 2.166 555 N HA -0.111 4.620 4.740 -0.015 0.000 0.186 555 N C 1.318 176.836 175.510 0.013 0.000 1.019 555 N CA 1.505 54.572 53.050 0.028 0.000 0.856 555 N CB -0.285 38.221 38.487 0.032 0.000 0.993 555 N HN 0.410 nan 8.380 nan 0.000 0.426 556 I N 0.423 120.989 120.570 -0.007 0.000 2.286 556 I HA -0.063 4.098 4.170 -0.015 0.000 0.245 556 I C 2.393 178.489 176.117 -0.036 0.000 1.104 556 I CA 0.977 62.273 61.300 -0.006 0.000 1.397 556 I CB -1.094 36.919 38.000 0.021 0.000 1.072 556 I HN 0.166 nan 8.210 nan 0.000 0.417 557 G N 0.025 108.772 108.800 -0.087 0.000 2.433 557 G HA2 -0.230 3.721 3.960 -0.015 0.000 0.216 557 G HA3 -0.230 3.721 3.960 -0.015 0.000 0.216 557 G C 1.374 176.268 174.900 -0.010 0.000 1.186 557 G CA 0.930 45.978 45.100 -0.086 0.000 0.779 557 G HN 0.305 nan 8.290 nan 0.000 0.543 558 D N 0.557 120.967 120.400 0.016 0.000 2.144 558 D HA -0.042 4.589 4.640 -0.015 0.000 0.199 558 D C 2.821 179.137 176.300 0.026 0.000 0.984 558 D CA 1.079 55.104 54.000 0.043 0.000 0.834 558 D CB -0.201 40.638 40.800 0.066 0.000 0.955 558 D HN 0.252 nan 8.370 nan 0.000 0.465 559 S N 0.271 115.987 115.700 0.026 0.000 2.371 559 S HA -0.004 4.457 4.470 -0.015 0.000 0.224 559 S C 2.208 176.822 174.600 0.024 0.000 1.029 559 S CA 0.371 58.590 58.200 0.032 0.000 0.978 559 S CB -0.094 63.135 63.200 0.048 0.000 0.833 559 S HN 0.226 nan 8.310 nan 0.000 0.466 560 L N 0.766 122.014 121.223 0.041 0.000 2.046 560 L HA -0.039 4.292 4.340 -0.015 0.000 0.208 560 L C 2.439 179.303 176.870 -0.010 0.000 1.077 560 L CA 0.872 55.782 54.840 0.115 0.000 0.747 560 L CB -0.574 41.583 42.059 0.164 0.000 0.896 560 L HN 0.216 nan 8.230 nan 0.000 0.432 561 V N -0.108 119.778 119.914 -0.047 0.000 2.626 561 V HA -0.194 3.918 4.120 -0.015 0.000 0.252 561 V C 2.555 178.572 176.094 -0.128 0.000 1.067 561 V CA 1.645 63.872 62.300 -0.121 0.000 1.081 561 V CB 0.055 31.848 31.823 -0.050 0.000 0.686 561 V HN 0.422 nan 8.190 nan 0.000 0.468 562 A N -0.724 122.054 122.820 -0.070 0.000 1.897 562 A HA -0.097 4.214 4.320 -0.015 0.000 0.215 562 A C 2.308 179.847 177.584 -0.076 0.000 1.181 562 A CA 1.889 53.892 52.037 -0.056 0.000 0.620 562 A CB -0.590 18.400 19.000 -0.017 0.000 0.821 562 A HN 0.388 nan 8.150 nan 0.000 0.443 563 V N 0.403 120.265 119.914 -0.088 0.000 2.307 563 V HA -0.261 3.850 4.120 -0.015 0.000 0.245 563 V C 2.558 178.635 176.094 -0.028 0.000 1.045 563 V CA 2.372 64.626 62.300 -0.077 0.000 1.024 563 V CB -0.619 31.073 31.823 -0.218 0.000 0.651 563 V HN 0.703 nan 8.190 nan 0.000 0.449 564 K N 0.254 120.470 120.400 -0.307 0.000 2.032 564 K HA -0.260 4.051 4.320 -0.015 0.000 0.209 564 K C 2.284 178.767 176.600 -0.195 0.000 1.048 564 K CA 2.087 58.038 56.287 -0.560 0.000 0.927 564 K CB -0.129 31.573 32.500 -1.330 0.000 0.712 564 K HN 0.400 nan 8.250 nan 0.000 0.441 565 K N 0.141 120.436 120.400 -0.174 0.000 2.005 565 K HA -0.046 4.265 4.320 -0.015 0.000 0.206 565 K C 2.098 178.659 176.600 -0.066 0.000 1.044 565 K CA 0.908 57.136 56.287 -0.097 0.000 0.942 565 K CB 0.038 32.485 32.500 -0.088 0.000 0.727 565 K HN 0.051 nan 8.250 nan 0.000 0.439 566 I N 1.319 121.847 120.570 -0.071 0.000 2.252 566 I HA -0.176 3.985 4.170 -0.015 0.000 0.245 566 I C 2.332 178.388 176.117 -0.101 0.000 1.102 566 I CA 1.014 62.273 61.300 -0.068 0.000 1.385 566 I CB -0.884 37.085 38.000 -0.053 0.000 1.064 566 I HN 0.052 nan 8.210 nan 0.000 0.414 567 V N -0.020 119.802 119.914 -0.153 0.000 2.391 567 V HA -0.094 4.017 4.120 -0.015 0.000 0.237 567 V C 2.212 178.081 176.094 -0.376 0.000 1.046 567 V CA 1.326 63.429 62.300 -0.328 0.000 1.053 567 V CB -0.628 30.877 31.823 -0.531 0.000 0.704 567 V HN 0.104 nan 8.190 nan 0.000 0.475 568 F N 0.319 120.258 119.950 -0.018 0.000 2.335 568 F HA -0.008 4.511 4.527 -0.014 0.000 0.296 568 F C 2.243 178.034 175.800 -0.015 0.000 1.091 568 F CA 1.047 59.050 58.000 0.005 0.000 1.399 568 F CB -0.234 38.809 39.000 0.071 0.000 1.067 568 F HN 0.172 nan 8.300 nan 0.000 0.520 569 D N 0.149 120.615 120.400 0.110 0.000 2.144 569 D HA -0.072 4.559 4.640 -0.015 0.000 0.207 569 D C 1.798 178.108 176.300 0.016 0.000 0.970 569 D CA 1.205 55.235 54.000 0.049 0.000 0.853 569 D CB -0.337 40.464 40.800 0.002 0.000 1.007 569 D HN 0.356 nan 8.370 nan 0.000 0.469 570 E N 0.322 120.515 120.200 -0.011 0.000 2.400 570 E HA 0.061 4.403 4.350 -0.015 0.000 0.195 570 E C -0.156 176.426 176.600 -0.031 0.000 1.012 570 E CA -0.119 56.269 56.400 -0.020 0.000 0.875 570 E CB 0.200 29.884 29.700 -0.028 0.000 0.859 570 E HN 0.107 nan 8.360 nan 0.000 0.498 571 N N 1.346 120.016 118.700 -0.050 0.000 2.735 571 N HA -0.188 4.543 4.740 -0.015 0.000 0.248 571 N C 0.569 176.038 175.510 -0.068 0.000 1.083 571 N CA 0.564 53.571 53.050 -0.073 0.000 0.703 571 N CB -0.592 37.867 38.487 -0.047 0.000 1.005 571 N HN 0.170 nan 8.380 nan 0.000 0.550 572 K N 0.321 120.682 120.400 -0.065 0.000 2.147 572 K HA 0.041 4.352 4.320 -0.015 0.000 0.205 572 K C 1.437 178.004 176.600 -0.056 0.000 1.049 572 K CA 1.177 57.433 56.287 -0.051 0.000 0.936 572 K CB 0.176 32.649 32.500 -0.044 0.000 0.722 572 K HN 0.715 nan 8.250 nan 0.000 0.446 573 I N -2.725 117.796 120.570 -0.080 0.000 2.994 573 I HA 0.290 4.451 4.170 -0.015 0.000 0.306 573 I C -0.182 175.851 176.117 -0.140 0.000 1.195 573 I CA -1.143 60.107 61.300 -0.083 0.000 1.001 573 I CB 2.219 40.187 38.000 -0.053 0.000 1.244 573 I HN -0.166 nan 8.210 nan 0.000 0.437 574 T N -0.364 114.106 114.554 -0.140 0.000 2.874 574 T HA 0.471 4.812 4.350 -0.015 0.000 0.281 574 T C -2.064 172.464 174.700 -0.287 0.000 0.994 574 T CA -1.655 60.321 62.100 -0.207 0.000 1.015 574 T CB 1.384 70.160 68.868 -0.153 0.000 1.028 574 T HN 0.480 nan 8.240 nan 0.000 0.523 575 P HA -0.080 nan 4.420 nan 0.000 0.215 575 P C 1.814 178.844 177.300 -0.449 0.000 1.153 575 P CA 1.082 63.663 63.100 -0.865 0.000 0.853 575 P CB -0.104 30.843 31.700 -1.255 0.000 0.788 576 S N -0.347 115.192 115.700 -0.269 0.000 2.370 576 S HA -0.208 4.253 4.470 -0.015 0.000 0.226 576 S C 1.791 176.369 174.600 -0.036 0.000 1.033 576 S CA 1.376 59.515 58.200 -0.102 0.000 1.011 576 S CB -0.880 62.270 63.200 -0.082 0.000 0.852 576 S HN 0.369 nan 8.310 nan 0.000 0.457 577 E N 0.534 120.701 120.200 -0.054 0.000 2.077 577 E HA -0.139 4.202 4.350 -0.015 0.000 0.193 577 E C 2.100 178.715 176.600 0.026 0.000 0.989 577 E CA 0.925 57.316 56.400 -0.015 0.000 0.800 577 E CB -0.235 29.448 29.700 -0.028 0.000 0.746 577 E HN 0.262 nan 8.360 nan 0.000 0.452 578 L N 1.773 123.024 121.223 0.045 0.000 2.027 578 L HA -0.162 4.169 4.340 -0.015 0.000 0.206 578 L C 2.250 179.211 176.870 0.152 0.000 1.074 578 L CA 1.862 56.776 54.840 0.123 0.000 0.745 578 L CB -0.342 41.835 42.059 0.196 0.000 0.898 578 L HN -0.098 nan 8.230 nan 0.000 0.433 579 K N -0.419 120.118 120.400 0.228 0.000 2.063 579 K HA -0.234 4.077 4.320 -0.015 0.000 0.208 579 K C 2.107 178.756 176.600 0.081 0.000 1.048 579 K CA 1.831 58.247 56.287 0.214 0.000 0.928 579 K CB -0.064 32.614 32.500 0.297 0.000 0.713 579 K HN 0.340 nan 8.250 nan 0.000 0.442 580 K N -0.452 119.980 120.400 0.053 0.000 2.057 580 K HA -0.106 4.205 4.320 -0.015 0.000 0.206 580 K C 2.256 178.844 176.600 -0.020 0.000 1.050 580 K CA 1.635 57.931 56.287 0.015 0.000 0.935 580 K CB -0.239 32.269 32.500 0.013 0.000 0.715 580 K HN 0.178 nan 8.250 nan 0.000 0.439 581 T N 1.269 115.813 114.554 -0.017 0.000 2.821 581 T HA -0.036 4.306 4.350 -0.015 0.000 0.267 581 T C 1.795 176.335 174.700 -0.267 0.000 1.046 581 T CA 0.827 62.892 62.100 -0.058 0.000 1.139 581 T CB -0.068 68.836 68.868 0.061 0.000 0.871 581 T HN 0.075 nan 8.240 nan 0.000 0.454 582 L N 0.987 122.061 121.223 -0.249 0.000 2.056 582 L HA -0.023 4.308 4.340 -0.015 0.000 0.207 582 L C 2.631 179.335 176.870 -0.277 0.000 1.078 582 L CA 1.037 55.644 54.840 -0.389 0.000 0.749 582 L CB -0.510 41.437 42.059 -0.187 0.000 0.901 582 L HN 0.224 nan 8.230 nan 0.000 0.433 583 N N 0.392 119.008 118.700 -0.141 0.000 2.453 583 N HA -0.139 4.592 4.740 -0.015 0.000 0.183 583 N C 0.966 176.416 175.510 -0.100 0.000 1.041 583 N CA 1.005 54.000 53.050 -0.091 0.000 0.900 583 N CB -0.269 38.201 38.487 -0.028 0.000 0.961 583 N HN 0.360 nan 8.380 nan 0.000 0.443 584 N N 0.575 119.200 118.700 -0.127 0.000 2.230 584 N HA -0.017 4.714 4.740 -0.015 0.000 0.202 584 N C -0.621 174.812 175.510 -0.129 0.000 1.119 584 N CA -0.039 52.954 53.050 -0.094 0.000 0.851 584 N CB 0.328 38.782 38.487 -0.054 0.000 0.990 584 N HN -0.022 nan 8.380 nan 0.000 0.497 585 D N -0.007 120.239 120.400 -0.257 0.000 2.708 585 D HA -0.266 4.365 4.640 -0.015 0.000 0.236 585 D C -0.630 175.574 176.300 -0.159 0.000 1.146 585 D CA 0.430 54.252 54.000 -0.297 0.000 0.662 585 D CB -1.567 39.175 40.800 -0.097 0.000 1.059 585 D HN 0.359 nan 8.370 nan 0.000 0.428 586 F N -3.264 116.689 119.950 0.005 0.000 3.006 586 F HA -0.337 4.181 4.527 -0.015 0.000 0.289 586 F C 1.297 177.099 175.800 0.002 0.000 0.772 586 F CA 1.071 59.073 58.000 0.003 0.000 1.162 586 F CB -1.568 37.433 39.000 0.001 0.000 1.382 586 F HN 0.252 nan 8.300 nan 0.000 0.406 587 K N 2.119 122.581 120.400 0.103 0.000 2.447 587 K HA 0.017 4.328 4.320 -0.015 0.000 0.281 587 K C 0.875 177.514 176.600 0.065 0.000 1.031 587 K CA 0.527 56.857 56.287 0.072 0.000 1.019 587 K CB 0.175 32.694 32.500 0.032 0.000 0.918 587 K HN 0.335 nan 8.250 nan 0.000 0.476 588 N N 1.887 120.623 118.700 0.059 0.000 2.725 588 N HA -0.175 4.556 4.740 -0.015 0.000 0.249 588 N C -1.003 174.539 175.510 0.054 0.000 1.103 588 N CA 1.521 54.598 53.050 0.045 0.000 0.707 588 N CB -1.618 36.887 38.487 0.030 0.000 1.043 588 N HN 0.675 nan 8.380 nan 0.000 0.553 589 S N -2.985 112.765 115.700 0.082 0.000 2.745 589 S HA 0.309 4.770 4.470 -0.015 0.000 0.232 589 S C 0.528 175.183 174.600 0.091 0.000 0.804 589 S CA -0.679 57.575 58.200 0.091 0.000 1.071 589 S CB 0.414 63.686 63.200 0.121 0.000 1.480 589 S HN 0.088 nan 8.310 nan 0.000 0.467 590 E N 2.333 122.558 120.200 0.043 0.000 2.338 590 E HA -0.141 4.200 4.350 -0.015 0.000 0.197 590 E C 2.134 178.706 176.600 -0.046 0.000 1.007 590 E CA 1.241 57.631 56.400 -0.017 0.000 0.849 590 E CB -0.009 29.680 29.700 -0.019 0.000 0.774 590 E HN 0.808 nan 8.360 nan 0.000 0.506 591 E N 1.013 121.203 120.200 -0.016 0.000 2.150 591 E HA -0.171 4.170 4.350 -0.015 0.000 0.193 591 E C 1.914 178.498 176.600 -0.028 0.000 0.985 591 E CA 0.967 57.353 56.400 -0.023 0.000 0.814 591 E CB -0.273 29.422 29.700 -0.009 0.000 0.752 591 E HN 0.377 nan 8.360 nan 0.000 0.466 592 I N 1.096 121.665 120.570 -0.002 0.000 2.406 592 I HA -0.187 3.974 4.170 -0.015 0.000 0.249 592 I C 2.955 179.041 176.117 -0.051 0.000 1.122 592 I CA 1.039 62.349 61.300 0.016 0.000 1.431 592 I CB -0.283 37.775 38.000 0.097 0.000 1.087 592 I HN 0.149 nan 8.210 nan 0.000 0.424 593 Q N 1.434 121.125 119.800 -0.181 0.000 2.167 593 Q HA -0.200 4.131 4.340 -0.015 0.000 0.202 593 Q C 2.282 178.088 176.000 -0.323 0.000 0.970 593 Q CA 1.727 57.196 55.803 -0.556 0.000 0.855 593 Q CB -0.011 28.148 28.738 -0.964 0.000 0.911 593 Q HN 0.518 nan 8.270 nan 0.000 0.438 594 A N 0.621 123.326 122.820 -0.191 0.000 1.902 594 A HA -0.161 4.150 4.320 -0.015 0.000 0.217 594 A C 1.948 179.474 177.584 -0.096 0.000 1.181 594 A CA 1.059 53.020 52.037 -0.128 0.000 0.623 594 A CB -0.622 18.326 19.000 -0.086 0.000 0.818 594 A HN 0.444 nan 8.150 nan 0.000 0.443 595 L N -0.153 121.023 121.223 -0.078 0.000 2.042 595 L HA -0.137 4.194 4.340 -0.015 0.000 0.210 595 L C 2.428 179.266 176.870 -0.054 0.000 1.076 595 L CA 1.610 56.418 54.840 -0.053 0.000 0.749 595 L CB -0.560 41.477 42.059 -0.037 0.000 0.893 595 L HN 0.428 nan 8.230 nan 0.000 0.432 596 L N -1.259 119.924 121.223 -0.066 0.000 2.027 596 L HA -0.221 4.110 4.340 -0.015 0.000 0.206 596 L C 2.454 179.289 176.870 -0.058 0.000 1.074 596 L CA 1.265 56.075 54.840 -0.049 0.000 0.745 596 L CB -0.624 41.415 42.059 -0.033 0.000 0.898 596 L HN 0.183 nan 8.230 nan 0.000 0.433 597 K N 0.059 120.401 120.400 -0.096 0.000 2.147 597 K HA -0.110 4.201 4.320 -0.015 0.000 0.205 597 K C 1.543 178.115 176.600 -0.048 0.000 1.049 597 K CA 1.073 57.315 56.287 -0.077 0.000 0.936 597 K CB -0.175 32.261 32.500 -0.106 0.000 0.722 597 K HN 0.270 nan 8.250 nan 0.000 0.446 598 N N 0.563 119.234 118.700 -0.048 0.000 2.461 598 N HA 0.029 4.760 4.740 -0.015 0.000 0.188 598 N C 0.087 175.582 175.510 -0.024 0.000 1.134 598 N CA 0.195 53.225 53.050 -0.034 0.000 0.878 598 N CB 0.113 38.579 38.487 -0.036 0.000 0.972 598 N HN 0.130 nan 8.380 nan 0.000 0.456 599 A N 1.739 124.545 122.820 -0.024 0.000 2.406 599 A HA 0.347 4.658 4.320 -0.015 0.000 0.243 599 A C -2.106 175.475 177.584 -0.005 0.000 1.082 599 A CA -0.874 51.152 52.037 -0.018 0.000 0.786 599 A CB -0.377 18.610 19.000 -0.022 0.000 1.029 599 A HN -0.028 nan 8.150 nan 0.000 0.495 600 P HA 0.080 nan 4.420 nan 0.000 0.264 600 P C -0.621 176.703 177.300 0.040 0.000 1.183 600 P CA 0.478 63.588 63.100 0.017 0.000 0.763 600 P CB 0.338 32.048 31.700 0.015 0.000 0.807 601 K N 2.868 123.299 120.400 0.053 0.000 2.207 601 K HA 0.363 4.674 4.320 -0.015 0.000 0.255 601 K C -0.300 176.382 176.600 0.136 0.000 0.941 601 K CA -0.930 55.411 56.287 0.090 0.000 0.825 601 K CB 1.155 33.694 32.500 0.064 0.000 1.119 601 K HN 0.336 nan 8.250 nan 0.000 0.430 602 F N 0.999 120.962 119.950 0.022 0.000 2.572 602 F HA 0.259 4.777 4.527 -0.014 0.000 0.370 602 F C 1.188 177.008 175.800 0.034 0.000 1.103 602 F CA 1.515 59.531 58.000 0.027 0.000 1.286 602 F CB 0.282 39.300 39.000 0.028 0.000 1.105 602 F HN 0.843 nan 8.300 nan 0.000 0.583 603 G N 4.151 112.570 108.800 -0.635 0.000 2.168 603 G HA2 -0.258 3.693 3.960 -0.015 0.000 0.197 603 G HA3 -0.258 3.693 3.960 -0.015 0.000 0.197 603 G C 0.317 175.095 174.900 -0.204 0.000 0.997 603 G CA 0.081 44.873 45.100 -0.513 0.000 0.658 603 G HN 0.658 nan 8.290 nan 0.000 0.513 604 N N 0.794 119.418 118.700 -0.127 0.000 2.238 604 N HA 0.210 4.941 4.740 -0.015 0.000 0.235 604 N C 0.372 175.862 175.510 -0.032 0.000 1.209 604 N CA 0.400 53.419 53.050 -0.051 0.000 0.879 604 N CB 0.565 39.041 38.487 -0.017 0.000 1.136 604 N HN 0.265 nan 8.380 nan 0.000 0.517 605 D N 0.953 121.324 120.400 -0.047 0.000 2.870 605 D HA -0.168 4.464 4.640 -0.015 0.000 0.228 605 D C -0.638 175.674 176.300 0.020 0.000 1.147 605 D CA 0.526 54.522 54.000 -0.007 0.000 0.757 605 D CB -1.473 39.328 40.800 0.002 0.000 1.091 605 D HN 0.385 nan 8.370 nan 0.000 0.429 606 I N 0.834 121.421 120.570 0.029 0.000 2.291 606 I HA 0.115 4.276 4.170 -0.015 0.000 0.290 606 I C 1.396 177.552 176.117 0.066 0.000 1.050 606 I CA -0.873 60.451 61.300 0.042 0.000 1.245 606 I CB 1.225 39.248 38.000 0.038 0.000 1.405 606 I HN -0.178 nan 8.210 nan 0.000 0.478 607 D N 3.947 124.383 120.400 0.059 0.000 2.158 607 D HA -0.230 4.401 4.640 -0.015 0.000 0.197 607 D C 1.781 178.122 176.300 0.067 0.000 0.995 607 D CA 1.378 55.420 54.000 0.070 0.000 0.846 607 D CB 0.182 41.016 40.800 0.057 0.000 0.941 607 D HN 0.651 nan 8.370 nan 0.000 0.456 608 E N 0.269 120.498 120.200 0.048 0.000 2.097 608 E HA -0.174 4.167 4.350 -0.015 0.000 0.196 608 E C 2.002 178.626 176.600 0.040 0.000 1.000 608 E CA 1.049 57.468 56.400 0.032 0.000 0.804 608 E CB 0.066 29.773 29.700 0.011 0.000 0.740 608 E HN 0.113 nan 8.360 nan 0.000 0.454 609 V N 0.422 120.375 119.914 0.065 0.000 2.685 609 V HA -0.102 4.009 4.120 -0.015 0.000 0.244 609 V C 1.211 177.391 176.094 0.143 0.000 1.054 609 V CA 1.776 64.129 62.300 0.087 0.000 1.076 609 V CB -0.165 31.721 31.823 0.106 0.000 0.725 609 V HN 0.216 nan 8.190 nan 0.000 0.467 610 D N 0.963 121.484 120.400 0.202 0.000 2.123 610 D HA -0.158 4.473 4.640 -0.015 0.000 0.196 610 D C 1.892 178.290 176.300 0.163 0.000 0.992 610 D CA 1.495 55.669 54.000 0.290 0.000 0.833 610 D CB -0.403 40.553 40.800 0.261 0.000 0.954 610 D HN 0.447 nan 8.370 nan 0.000 0.455 611 N N 0.100 118.869 118.700 0.115 0.000 2.381 611 N HA -0.038 4.693 4.740 -0.015 0.000 0.182 611 N C 1.852 177.405 175.510 0.072 0.000 1.025 611 N CA 0.245 53.349 53.050 0.089 0.000 0.888 611 N CB -0.018 38.517 38.487 0.080 0.000 0.965 611 N HN 0.285 nan 8.380 nan 0.000 0.438 612 L N 0.038 121.299 121.223 0.062 0.000 2.270 612 L HA 0.106 4.437 4.340 -0.015 0.000 0.210 612 L C 2.244 179.115 176.870 0.001 0.000 1.104 612 L CA 0.304 55.179 54.840 0.058 0.000 0.804 612 L CB -0.206 41.892 42.059 0.064 0.000 0.937 612 L HN 0.053 nan 8.230 nan 0.000 0.450 613 A N 0.319 123.100 122.820 -0.065 0.000 1.898 613 A HA -0.211 4.100 4.320 -0.015 0.000 0.216 613 A C 2.411 179.916 177.584 -0.131 0.000 1.181 613 A CA 1.442 53.346 52.037 -0.222 0.000 0.620 613 A CB -0.451 18.176 19.000 -0.622 0.000 0.819 613 A HN 0.324 nan 8.150 nan 0.000 0.442 614 R N -0.363 120.108 120.500 -0.047 0.000 2.070 614 R HA -0.202 4.129 4.340 -0.015 0.000 0.233 614 R C 2.128 178.448 176.300 0.033 0.000 1.137 614 R CA 1.986 58.088 56.100 0.003 0.000 0.945 614 R CB -0.287 30.044 30.300 0.051 0.000 0.845 614 R HN 0.436 nan 8.270 nan 0.000 0.430 615 E N -0.174 120.059 120.200 0.055 0.000 2.106 615 E HA -0.076 4.265 4.350 -0.015 0.000 0.192 615 E C 1.750 178.421 176.600 0.118 0.000 0.984 615 E CA 1.700 58.150 56.400 0.083 0.000 0.806 615 E CB -0.590 29.167 29.700 0.094 0.000 0.750 615 E HN 0.508 nan 8.360 nan 0.000 0.458 616 G N 0.224 109.082 108.800 0.096 0.000 2.418 616 G HA2 -0.232 3.719 3.960 -0.015 0.000 0.217 616 G HA3 -0.232 3.719 3.960 -0.015 0.000 0.217 616 G C 1.695 176.730 174.900 0.225 0.000 1.158 616 G CA 1.114 46.313 45.100 0.164 0.000 0.771 616 G HN 0.441 nan 8.290 nan 0.000 0.545 617 A N 0.311 123.197 122.820 0.109 0.000 1.929 617 A HA 0.214 4.525 4.320 -0.015 0.000 0.216 617 A C 2.397 180.066 177.584 0.142 0.000 1.176 617 A CA 0.939 53.041 52.037 0.109 0.000 0.628 617 A CB -0.334 18.680 19.000 0.023 0.000 0.816 617 A HN 0.340 nan 8.150 nan 0.000 0.444 618 L N -0.425 120.860 121.223 0.103 0.000 2.131 618 L HA -0.154 4.177 4.340 -0.015 0.000 0.210 618 L C 2.467 179.377 176.870 0.067 0.000 1.092 618 L CA 0.812 55.698 54.840 0.076 0.000 0.759 618 L CB -0.365 41.730 42.059 0.061 0.000 0.903 618 L HN 0.253 nan 8.230 nan 0.000 0.435 619 V N -0.934 119.048 119.914 0.113 0.000 2.343 619 V HA -0.343 3.769 4.120 -0.015 0.000 0.247 619 V C 2.161 178.251 176.094 -0.007 0.000 1.051 619 V CA 1.976 64.312 62.300 0.061 0.000 1.036 619 V CB -0.679 31.219 31.823 0.126 0.000 0.654 619 V HN 0.453 nan 8.190 nan 0.000 0.451 620 Y N 0.465 120.712 120.300 -0.088 0.000 2.133 620 Y HA -0.264 4.278 4.550 -0.013 0.000 0.287 620 Y C 2.600 178.410 175.900 -0.151 0.000 1.134 620 Y CA 1.785 59.776 58.100 -0.180 0.000 1.133 620 Y CB -0.847 37.518 38.460 -0.157 0.000 0.987 620 Y HN 0.235 nan 8.280 nan 0.000 0.502 621 C N 1.142 120.353 119.300 -0.148 0.000 2.413 621 C HA -0.183 4.268 4.460 -0.015 0.000 0.276 621 C C 2.688 177.557 174.990 -0.201 0.000 1.248 621 C CA 1.500 60.391 59.018 -0.212 0.000 1.742 621 C CB -1.308 26.420 27.740 -0.020 0.000 2.017 621 C HN 0.544 nan 8.230 nan 0.000 0.481 622 R N 0.496 120.917 120.500 -0.132 0.000 2.115 622 R HA -0.085 4.247 4.340 -0.015 0.000 0.230 622 R C 2.108 178.318 176.300 -0.149 0.000 1.111 622 R CA 0.898 56.932 56.100 -0.110 0.000 0.976 622 R CB -0.224 30.035 30.300 -0.069 0.000 0.870 622 R HN 0.572 nan 8.270 nan 0.000 0.445 623 E N 0.476 120.555 120.200 -0.201 0.000 2.046 623 E HA -0.099 4.242 4.350 -0.015 0.000 0.190 623 E C 2.215 178.732 176.600 -0.139 0.000 0.982 623 E CA 0.901 57.196 56.400 -0.176 0.000 0.800 623 E CB -0.278 29.293 29.700 -0.215 0.000 0.756 623 E HN 0.076 nan 8.360 nan 0.000 0.449 624 V N 2.574 122.293 119.914 -0.324 0.000 2.332 624 V HA -0.258 3.853 4.120 -0.015 0.000 0.248 624 V C 1.828 177.905 176.094 -0.028 0.000 1.055 624 V CA 1.745 63.898 62.300 -0.245 0.000 1.038 624 V CB -0.629 30.929 31.823 -0.442 0.000 0.651 624 V HN 0.190 nan 8.190 nan 0.000 0.450 625 N N 0.171 118.825 118.700 -0.076 0.000 2.430 625 N HA -0.137 4.594 4.740 -0.015 0.000 0.186 625 N C 1.647 177.106 175.510 -0.086 0.000 1.032 625 N CA 0.959 53.990 53.050 -0.031 0.000 0.893 625 N CB -0.284 38.176 38.487 -0.046 0.000 0.957 625 N HN 0.555 nan 8.380 nan 0.000 0.442 626 K N -0.676 119.599 120.400 -0.208 0.000 2.365 626 K HA -0.036 4.275 4.320 -0.015 0.000 0.199 626 K C -0.131 176.070 176.600 -0.665 0.000 1.045 626 K CA 0.548 56.556 56.287 -0.465 0.000 0.962 626 K CB 0.086 32.174 32.500 -0.686 0.000 0.759 626 K HN 0.211 nan 8.250 nan 0.000 0.469 627 Y N 0.577 120.730 120.300 -0.244 0.000 2.376 627 Y HA 0.197 4.739 4.550 -0.012 0.000 0.325 627 Y C 0.812 176.702 175.900 -0.016 0.000 1.199 627 Y CA -0.896 57.014 58.100 -0.317 0.000 1.206 627 Y CB 1.399 39.334 38.460 -0.875 0.000 1.229 627 Y HN -0.126 nan 8.280 nan 0.000 0.480 628 T N -1.096 113.561 114.554 0.172 0.000 2.916 628 T HA 0.612 4.953 4.350 -0.015 0.000 0.292 628 T C -0.741 174.147 174.700 0.313 0.000 1.055 628 T CA -1.151 61.097 62.100 0.245 0.000 1.009 628 T CB 1.622 70.525 68.868 0.059 0.000 1.118 628 T HN 0.657 nan 8.240 nan 0.000 0.497 629 N N 0.211 119.013 118.700 0.169 0.000 2.518 629 N HA 0.543 5.274 4.740 -0.015 0.000 0.284 629 N C -2.418 173.036 175.510 -0.094 0.000 1.230 629 N CA -2.421 50.644 53.050 0.025 0.000 0.941 629 N CB 0.046 38.375 38.487 -0.263 0.000 1.219 629 N HN 0.236 nan 8.380 nan 0.000 0.560 630 P HA 0.003 nan 4.420 nan 0.000 0.228 630 P C 0.282 177.478 177.300 -0.172 0.000 1.151 630 P CA 1.004 64.012 63.100 -0.154 0.000 0.770 630 P CB 0.186 31.783 31.700 -0.171 0.000 0.786 631 R N -1.533 118.835 120.500 -0.220 0.000 2.359 631 R HA 0.295 4.626 4.340 -0.015 0.000 0.231 631 R C 1.151 177.337 176.300 -0.189 0.000 0.913 631 R CA 0.551 56.521 56.100 -0.217 0.000 1.075 631 R CB -0.317 29.817 30.300 -0.277 0.000 1.087 631 R HN 0.102 nan 8.270 nan 0.000 0.515 632 G N 0.185 108.892 108.800 -0.155 0.000 2.148 632 G HA2 -0.247 3.704 3.960 -0.015 0.000 0.254 632 G HA3 -0.247 3.704 3.960 -0.015 0.000 0.254 632 G C 0.283 175.099 174.900 -0.140 0.000 0.981 632 G CA -0.029 44.994 45.100 -0.128 0.000 0.670 632 G HN 0.532 nan 8.290 nan 0.000 0.528 633 G N -0.719 107.976 108.800 -0.174 0.000 2.461 633 G HA2 0.588 4.539 3.960 -0.015 0.000 0.329 633 G HA3 0.588 4.539 3.960 -0.015 0.000 0.329 633 G C -0.340 174.526 174.900 -0.056 0.000 1.170 633 G CA -0.571 44.408 45.100 -0.203 0.000 0.935 633 G HN 0.314 nan 8.290 nan 0.000 0.492 634 N N -1.089 117.632 118.700 0.035 0.000 2.508 634 N HA 0.485 5.216 4.740 -0.015 0.000 0.285 634 N C -0.803 174.872 175.510 0.274 0.000 1.144 634 N CA -0.321 52.846 53.050 0.195 0.000 0.978 634 N CB 1.144 39.753 38.487 0.204 0.000 1.180 634 N HN 0.276 nan 8.380 nan 0.000 0.484 635 F N 0.979 120.983 119.950 0.090 0.000 2.389 635 F HA 0.231 4.750 4.527 -0.013 0.000 0.337 635 F C 0.538 176.374 175.800 0.060 0.000 1.112 635 F CA -0.075 57.970 58.000 0.074 0.000 1.192 635 F CB 0.805 39.830 39.000 0.041 0.000 1.185 635 F HN 0.353 nan 8.300 nan 0.000 0.552 636 Q N 4.231 124.129 119.800 0.163 0.000 2.305 636 Q HA 0.527 4.859 4.340 -0.015 0.000 0.271 636 Q C -3.177 172.850 176.000 0.045 0.000 1.046 636 Q CA -2.319 53.524 55.803 0.066 0.000 0.798 636 Q CB 2.699 31.419 28.738 -0.030 0.000 1.286 636 Q HN 0.227 nan 8.270 nan 0.000 0.435 637 P HA 0.336 nan 4.420 nan 0.000 0.281 637 P C -0.546 176.792 177.300 0.063 0.000 1.249 637 P CA 0.002 63.118 63.100 0.027 0.000 0.810 637 P CB 1.586 33.250 31.700 -0.059 0.000 1.008 638 G N 1.021 109.876 108.800 0.091 0.000 2.658 638 G HA2 0.655 4.606 3.960 -0.015 0.000 0.292 638 G HA3 0.655 4.606 3.960 -0.015 0.000 0.292 638 G C -1.417 173.504 174.900 0.035 0.000 1.320 638 G CA -0.891 44.239 45.100 0.051 0.000 0.933 638 G HN 0.414 nan 8.290 nan 0.000 0.476 639 L N 1.511 122.763 121.223 0.048 0.000 2.480 639 L HA 0.363 4.695 4.340 -0.015 0.000 0.253 639 L C -1.303 175.668 176.870 0.168 0.000 1.324 639 L CA -0.731 54.139 54.840 0.050 0.000 0.916 639 L CB 0.356 42.443 42.059 0.046 0.000 1.160 639 L HN 0.707 nan 8.230 nan 0.000 0.503 640 Y N 0.512 120.886 120.300 0.124 0.000 2.588 640 Y HA 0.759 5.301 4.550 -0.014 0.000 0.343 640 Y C -2.838 173.207 175.900 0.242 0.000 1.065 640 Y CA -2.103 56.091 58.100 0.158 0.000 1.038 640 Y CB 1.683 40.222 38.460 0.133 0.000 1.297 640 Y HN -0.028 nan 8.280 nan 0.000 0.467 641 P HA 0.181 nan 4.420 nan 0.000 0.310 641 P C 0.381 177.684 177.300 0.005 0.000 1.351 641 P CA 0.775 63.955 63.100 0.134 0.000 1.116 641 P CB 1.379 33.083 31.700 0.005 0.000 1.589 642 S N 1.442 117.346 115.700 0.340 0.000 4.059 642 S HA -0.227 4.234 4.470 -0.015 0.000 0.624 642 S C 1.063 175.783 174.600 0.199 0.000 2.019 642 S CA 2.413 60.829 58.200 0.359 0.000 4.197 642 S CB -1.849 61.486 63.200 0.224 0.000 0.215 642 S HN 0.472 nan 8.310 nan 0.000 0.609 643 S N 0.329 116.051 115.700 0.037 0.000 2.593 643 S HA 0.416 4.877 4.470 -0.015 0.000 0.236 643 S C 1.370 175.847 174.600 -0.205 0.000 0.991 643 S CA 0.511 58.701 58.200 -0.015 0.000 0.963 643 S CB 0.082 63.329 63.200 0.079 0.000 0.865 643 S HN 0.657 nan 8.310 nan 0.000 0.488 644 I N 3.404 123.682 120.570 -0.487 0.000 3.001 644 I HA -0.157 4.004 4.170 -0.015 0.000 0.268 644 I C 2.089 177.907 176.117 -0.498 0.000 1.267 644 I CA 0.910 61.789 61.300 -0.702 0.000 1.472 644 I CB -0.157 36.938 38.000 -1.509 0.000 1.089 644 I HN 0.471 nan 8.210 nan 0.000 0.468 645 N N 0.672 119.208 118.700 -0.273 0.000 2.289 645 N HA -0.154 4.577 4.740 -0.015 0.000 0.184 645 N C 1.589 177.086 175.510 -0.022 0.000 1.016 645 N CA 1.332 54.328 53.050 -0.089 0.000 0.872 645 N CB -0.679 37.796 38.487 -0.020 0.000 0.973 645 N HN 0.263 nan 8.380 nan 0.000 0.433 646 V N 0.577 120.472 119.914 -0.031 0.000 2.346 646 V HA -0.185 3.926 4.120 -0.015 0.000 0.244 646 V C 2.270 178.397 176.094 0.055 0.000 1.037 646 V CA 1.322 63.630 62.300 0.014 0.000 1.029 646 V CB -0.982 30.849 31.823 0.012 0.000 0.663 646 V HN 0.185 nan 8.190 nan 0.000 0.454 647 Y N 0.253 120.499 120.300 -0.090 0.000 2.145 647 Y HA -0.222 4.319 4.550 -0.015 0.000 0.286 647 Y C 2.264 178.201 175.900 0.061 0.000 1.145 647 Y CA 1.281 59.352 58.100 -0.047 0.000 1.148 647 Y CB -0.607 37.796 38.460 -0.095 0.000 0.981 647 Y HN 0.201 nan 8.280 nan 0.000 0.507 648 F N -0.315 119.483 119.950 -0.253 0.000 2.126 648 F HA -0.227 4.292 4.527 -0.015 0.000 0.299 648 F C 2.537 178.174 175.800 -0.271 0.000 1.096 648 F CA 0.540 58.336 58.000 -0.340 0.000 1.255 648 F CB -0.655 38.200 39.000 -0.241 0.000 0.997 648 F HN 0.244 nan 8.300 nan 0.000 0.479 649 G N -0.254 108.563 108.800 0.028 0.000 2.422 649 G HA2 -0.331 3.620 3.960 -0.015 0.000 0.218 649 G HA3 -0.331 3.620 3.960 -0.015 0.000 0.218 649 G C 1.646 176.508 174.900 -0.063 0.000 1.146 649 G CA 1.046 46.135 45.100 -0.020 0.000 0.769 649 G HN 0.448 nan 8.290 nan 0.000 0.547 650 S N 0.185 115.838 115.700 -0.079 0.000 2.447 650 S HA 0.086 4.547 4.470 -0.015 0.000 0.233 650 S C 2.007 176.520 174.600 -0.144 0.000 1.006 650 S CA 0.749 58.897 58.200 -0.085 0.000 0.957 650 S CB -0.216 62.957 63.200 -0.045 0.000 0.773 650 S HN 0.283 nan 8.310 nan 0.000 0.507 651 L N 1.139 122.225 121.223 -0.229 0.000 2.607 651 L HA 0.278 4.609 4.340 -0.015 0.000 0.228 651 L C -0.016 176.721 176.870 -0.220 0.000 1.123 651 L CA -0.046 54.642 54.840 -0.253 0.000 0.890 651 L CB -0.040 41.795 42.059 -0.373 0.000 1.103 651 L HN 0.207 nan 8.230 nan 0.000 0.468 652 T N 0.059 114.507 114.554 -0.177 0.000 2.797 652 T HA 0.525 4.866 4.350 -0.015 0.000 0.279 652 T C 0.595 175.230 174.700 -0.108 0.000 0.991 652 T CA -0.460 61.545 62.100 -0.158 0.000 0.979 652 T CB 2.065 70.843 68.868 -0.149 0.000 0.943 652 T HN 0.219 nan 8.240 nan 0.000 0.444 653 G N 1.271 110.006 108.800 -0.107 0.000 2.611 653 G HA2 0.526 4.477 3.960 -0.015 0.000 0.273 653 G HA3 0.526 4.477 3.960 -0.015 0.000 0.273 653 G C 0.179 175.035 174.900 -0.073 0.000 1.305 653 G CA -0.636 44.410 45.100 -0.090 0.000 1.010 653 G HN 1.008 nan 8.290 nan 0.000 0.509 654 A N -0.492 122.269 122.820 -0.099 0.000 2.498 654 A HA 0.531 4.842 4.320 -0.015 0.000 0.239 654 A C 0.905 178.460 177.584 -0.047 0.000 1.068 654 A CA 0.731 52.717 52.037 -0.086 0.000 0.766 654 A CB -0.294 18.496 19.000 -0.350 0.000 1.003 654 A HN 1.264 nan 8.150 nan 0.000 0.497 655 T N 0.126 114.721 114.554 0.068 0.000 2.932 655 T HA 0.582 4.923 4.350 -0.015 0.000 0.289 655 T C -2.392 172.406 174.700 0.164 0.000 1.039 655 T CA -1.844 60.303 62.100 0.078 0.000 1.024 655 T CB 1.568 70.471 68.868 0.059 0.000 1.090 655 T HN 0.255 nan 8.240 nan 0.000 0.496 656 P HA -0.085 nan 4.420 nan 0.000 0.224 656 P C 0.867 178.231 177.300 0.106 0.000 1.142 656 P CA 0.894 64.067 63.100 0.122 0.000 0.778 656 P CB -0.076 31.656 31.700 0.053 0.000 0.764 657 D N -2.196 118.261 120.400 0.095 0.000 2.349 657 D HA 0.062 4.694 4.640 -0.015 0.000 0.224 657 D C 1.482 177.805 176.300 0.038 0.000 1.029 657 D CA 0.734 54.769 54.000 0.058 0.000 0.879 657 D CB -0.770 40.062 40.800 0.053 0.000 0.906 657 D HN 0.221 nan 8.370 nan 0.000 0.528 658 G N 0.632 109.480 108.800 0.080 0.000 2.179 658 G HA2 -0.290 3.661 3.960 -0.015 0.000 0.220 658 G HA3 -0.290 3.661 3.960 -0.015 0.000 0.220 658 G C 0.270 175.176 174.900 0.010 0.000 0.990 658 G CA -0.055 44.997 45.100 -0.080 0.000 0.646 658 G HN 0.589 nan 8.290 nan 0.000 0.517 659 R N 1.372 121.950 120.500 0.130 0.000 2.442 659 R HA 0.423 4.754 4.340 -0.015 0.000 0.291 659 R C 0.352 176.800 176.300 0.246 0.000 1.069 659 R CA -0.124 56.054 56.100 0.131 0.000 1.022 659 R CB 0.291 30.645 30.300 0.090 0.000 0.976 659 R HN 0.253 nan 8.270 nan 0.000 0.443 660 K N 1.916 122.435 120.400 0.197 0.000 2.126 660 K HA 0.051 4.362 4.320 -0.015 0.000 0.257 660 K C 0.054 176.708 176.600 0.091 0.000 1.007 660 K CA -0.315 56.100 56.287 0.213 0.000 0.928 660 K CB 1.244 33.847 32.500 0.172 0.000 1.013 660 K HN 0.544 nan 8.250 nan 0.000 0.473 661 S N 0.295 116.020 115.700 0.041 0.000 2.558 661 S HA 0.130 4.591 4.470 -0.015 0.000 0.293 661 S C 1.203 175.800 174.600 -0.006 0.000 1.292 661 S CA 1.220 59.414 58.200 -0.010 0.000 1.063 661 S CB -0.302 62.873 63.200 -0.042 0.000 0.831 661 S HN 0.837 nan 8.310 nan 0.000 0.499 662 G N 3.329 112.114 108.800 -0.024 0.000 2.205 662 G HA2 -0.199 3.752 3.960 -0.015 0.000 0.261 662 G HA3 -0.199 3.752 3.960 -0.015 0.000 0.261 662 G C 0.072 174.968 174.900 -0.007 0.000 0.980 662 G CA 0.293 45.379 45.100 -0.023 0.000 0.632 662 G HN 0.723 nan 8.290 nan 0.000 0.533 663 Q N 0.887 120.691 119.800 0.006 0.000 2.354 663 Q HA 0.399 4.730 4.340 -0.015 0.000 0.244 663 Q C -2.234 173.774 176.000 0.013 0.000 0.969 663 Q CA -1.642 54.171 55.803 0.016 0.000 0.885 663 Q CB 0.505 29.260 28.738 0.029 0.000 1.241 663 Q HN 0.237 nan 8.270 nan 0.000 0.461 664 P HA 0.045 nan 4.420 nan 0.000 0.269 664 P C -0.322 176.996 177.300 0.029 0.000 1.215 664 P CA 0.187 63.300 63.100 0.021 0.000 0.780 664 P CB 0.502 32.215 31.700 0.022 0.000 0.898 665 L N 1.017 122.261 121.223 0.036 0.000 2.431 665 L HA 0.566 4.897 4.340 -0.015 0.000 0.260 665 L C 0.928 177.831 176.870 0.055 0.000 1.098 665 L CA -1.142 53.725 54.840 0.045 0.000 0.800 665 L CB 0.436 42.529 42.059 0.057 0.000 1.210 665 L HN 0.356 nan 8.230 nan 0.000 0.465 666 A N 0.538 123.399 122.820 0.068 0.000 2.366 666 A HA 0.211 4.522 4.320 -0.015 0.000 0.249 666 A C -0.570 177.071 177.584 0.095 0.000 1.084 666 A CA -0.528 51.563 52.037 0.089 0.000 0.794 666 A CB 0.012 19.081 19.000 0.115 0.000 1.034 666 A HN 0.736 nan 8.150 nan 0.000 0.491 667 D N 1.219 121.687 120.400 0.113 0.000 2.280 667 D HA 0.445 5.076 4.640 -0.015 0.000 0.243 667 D C 0.863 177.270 176.300 0.177 0.000 1.129 667 D CA 0.461 54.537 54.000 0.126 0.000 0.848 667 D CB 0.751 41.620 40.800 0.116 0.000 1.107 667 D HN 1.170 nan 8.370 nan 0.000 0.471 668 G N 2.027 110.935 108.800 0.180 0.000 2.611 668 G HA2 -0.330 3.621 3.960 -0.015 0.000 0.301 668 G HA3 -0.330 3.621 3.960 -0.015 0.000 0.301 668 G C 0.753 175.770 174.900 0.195 0.000 1.233 668 G CA 1.285 46.514 45.100 0.216 0.000 0.993 668 G HN 1.268 nan 8.290 nan 0.000 0.553 669 V N -2.036 118.025 119.914 0.245 0.000 3.271 669 V HA 0.614 4.725 4.120 -0.015 0.000 0.327 669 V C 0.949 177.224 176.094 0.303 0.000 1.389 669 V CA 0.904 63.336 62.300 0.220 0.000 1.156 669 V CB 0.029 31.977 31.823 0.208 0.000 1.103 669 V HN 0.870 nan 8.190 nan 0.000 0.453 670 S N 2.577 118.483 115.700 0.344 0.000 2.585 670 S HA 0.443 4.904 4.470 -0.015 0.000 0.273 670 S C -2.232 172.581 174.600 0.355 0.000 1.339 670 S CA -0.387 58.052 58.200 0.398 0.000 1.028 670 S CB 0.740 64.172 63.200 0.388 0.000 0.906 670 S HN 0.364 nan 8.310 nan 0.000 0.528 671 P HA 0.180 nan 4.420 nan 0.000 0.272 671 P C -0.522 176.900 177.300 0.202 0.000 1.230 671 P CA -0.196 63.058 63.100 0.256 0.000 0.788 671 P CB 0.427 32.158 31.700 0.053 0.000 0.949 672 S N 1.157 116.968 115.700 0.184 0.000 2.579 672 S HA 0.091 4.553 4.470 -0.015 0.000 0.275 672 S C 0.286 174.930 174.600 0.073 0.000 1.345 672 S CA -0.513 57.757 58.200 0.117 0.000 1.031 672 S CB 0.011 63.271 63.200 0.100 0.000 0.892 672 S HN 0.403 nan 8.310 nan 0.000 0.529 673 R N 0.978 121.507 120.500 0.048 0.000 2.523 673 R HA 0.263 4.595 4.340 -0.015 0.000 0.281 673 R C 1.110 177.409 176.300 -0.001 0.000 0.969 673 R CA 0.556 56.665 56.100 0.014 0.000 1.093 673 R CB -0.806 29.498 30.300 0.008 0.000 0.917 673 R HN 0.880 nan 8.270 nan 0.000 0.408 674 G N 1.819 110.601 108.800 -0.029 0.000 2.196 674 G HA2 -0.378 3.573 3.960 -0.015 0.000 0.268 674 G HA3 -0.378 3.573 3.960 -0.015 0.000 0.268 674 G C 0.805 175.694 174.900 -0.019 0.000 0.975 674 G CA 0.362 45.440 45.100 -0.037 0.000 0.648 674 G HN 0.727 nan 8.290 nan 0.000 0.538 675 C N 1.315 120.618 119.300 0.005 0.000 2.512 675 C HA 0.215 4.666 4.460 -0.015 0.000 0.276 675 C C 1.141 176.140 174.990 0.015 0.000 1.368 675 C CA 0.394 59.423 59.018 0.019 0.000 1.755 675 C CB -0.365 27.406 27.740 0.051 0.000 2.008 675 C HN 0.711 nan 8.230 nan 0.000 0.511 676 D N 1.766 122.176 120.400 0.018 0.000 2.453 676 D HA 0.171 4.802 4.640 -0.015 0.000 0.223 676 D C 0.542 176.872 176.300 0.051 0.000 1.183 676 D CA 0.029 54.052 54.000 0.039 0.000 0.933 676 D CB 0.422 41.279 40.800 0.095 0.000 1.038 676 D HN 0.367 nan 8.370 nan 0.000 0.513 677 V N -0.370 119.561 119.914 0.027 0.000 3.121 677 V HA 0.253 4.364 4.120 -0.015 0.000 0.344 677 V C 0.620 176.731 176.094 0.029 0.000 1.390 677 V CA -0.312 61.999 62.300 0.019 0.000 1.177 677 V CB -0.115 31.707 31.823 -0.002 0.000 1.163 677 V HN 0.275 nan 8.190 nan 0.000 0.484 678 S N 1.082 116.807 115.700 0.042 0.000 2.650 678 S HA 0.671 5.132 4.470 -0.015 0.000 0.240 678 S C 0.878 175.495 174.600 0.028 0.000 1.007 678 S CA 0.305 58.521 58.200 0.025 0.000 0.984 678 S CB 0.390 63.595 63.200 0.008 0.000 0.910 678 S HN 1.536 nan 8.310 nan 0.000 0.509 679 G N 2.951 111.791 108.800 0.067 0.000 2.662 679 G HA2 -0.105 3.846 3.960 -0.015 0.000 0.686 679 G HA3 -0.105 3.846 3.960 -0.015 0.000 0.686 679 G C -2.445 172.353 174.900 -0.169 0.000 1.271 679 G CA -0.537 44.577 45.100 0.023 0.000 0.816 679 G HN 0.014 nan 8.290 nan 0.000 0.608 680 P HA -0.072 nan 4.420 nan 0.000 0.218 680 P C 1.717 178.919 177.300 -0.163 0.000 1.149 680 P CA 2.120 64.900 63.100 -0.533 0.000 0.817 680 P CB 0.007 31.476 31.700 -0.385 0.000 0.785 681 T N 0.399 114.913 114.554 -0.068 0.000 2.737 681 T HA -0.054 4.287 4.350 -0.015 0.000 0.265 681 T C 2.111 176.808 174.700 -0.005 0.000 1.038 681 T CA 1.720 63.815 62.100 -0.008 0.000 1.144 681 T CB -0.821 68.050 68.868 0.005 0.000 0.866 681 T HN 0.082 nan 8.240 nan 0.000 0.434 682 A N 1.425 124.230 122.820 -0.025 0.000 1.933 682 A HA 0.120 4.431 4.320 -0.015 0.000 0.218 682 A C 2.617 180.168 177.584 -0.055 0.000 1.175 682 A CA 1.878 53.900 52.037 -0.025 0.000 0.628 682 A CB -1.063 17.923 19.000 -0.022 0.000 0.814 682 A HN 0.507 nan 8.150 nan 0.000 0.444 683 A N -0.900 121.877 122.820 -0.073 0.000 1.877 683 A HA -0.183 4.128 4.320 -0.015 0.000 0.216 683 A C 2.325 179.854 177.584 -0.091 0.000 1.186 683 A CA 1.690 53.670 52.037 -0.096 0.000 0.620 683 A CB -1.344 17.642 19.000 -0.023 0.000 0.822 683 A HN 0.600 nan 8.150 nan 0.000 0.443 684 C N -0.197 119.116 119.300 0.022 0.000 2.413 684 C HA -0.112 4.339 4.460 -0.015 0.000 0.276 684 C C 2.684 177.754 174.990 0.132 0.000 1.248 684 C CA 1.184 60.238 59.018 0.059 0.000 1.742 684 C CB -1.526 26.302 27.740 0.148 0.000 2.017 684 C HN 0.645 nan 8.230 nan 0.000 0.481 685 N N 1.084 119.838 118.700 0.090 0.000 2.104 685 N HA -0.103 4.628 4.740 -0.015 0.000 0.190 685 N C 1.914 177.469 175.510 0.075 0.000 1.024 685 N CA 1.524 54.635 53.050 0.102 0.000 0.853 685 N CB -0.612 37.912 38.487 0.062 0.000 1.008 685 N HN 0.447 nan 8.380 nan 0.000 0.424 686 S N 0.314 115.992 115.700 -0.038 0.000 2.356 686 S HA -0.048 4.413 4.470 -0.015 0.000 0.223 686 S C 2.222 176.845 174.600 0.037 0.000 1.032 686 S CA 0.797 58.943 58.200 -0.091 0.000 1.005 686 S CB -0.271 62.656 63.200 -0.455 0.000 0.867 686 S HN 0.092 nan 8.310 nan 0.000 0.449 687 V N 2.490 122.351 119.914 -0.088 0.000 2.407 687 V HA -0.150 3.961 4.120 -0.015 0.000 0.248 687 V C 2.566 178.920 176.094 0.433 0.000 1.055 687 V CA 1.844 64.221 62.300 0.127 0.000 1.049 687 V CB -1.040 30.507 31.823 -0.461 0.000 0.662 687 V HN 0.706 nan 8.190 nan 0.000 0.455 688 S N -0.162 115.784 115.700 0.411 0.000 2.507 688 S HA -0.166 4.295 4.470 -0.015 0.000 0.235 688 S C 1.737 176.532 174.600 0.325 0.000 0.988 688 S CA 1.053 59.474 58.200 0.369 0.000 0.944 688 S CB -0.446 62.899 63.200 0.242 0.000 0.762 688 S HN 0.659 nan 8.310 nan 0.000 0.526 689 K N 0.506 121.076 120.400 0.284 0.000 2.366 689 K HA 0.242 4.553 4.320 -0.015 0.000 0.198 689 K C 0.405 177.127 176.600 0.204 0.000 1.044 689 K CA 0.126 56.549 56.287 0.227 0.000 0.973 689 K CB -0.260 32.361 32.500 0.203 0.000 0.767 689 K HN 0.431 nan 8.250 nan 0.000 0.475 690 L N 1.289 122.630 121.223 0.197 0.000 2.472 690 L HA 0.038 4.369 4.340 -0.015 0.000 0.260 690 L C 0.500 177.378 176.870 0.013 0.000 1.209 690 L CA -0.427 54.428 54.840 0.024 0.000 0.817 690 L CB 0.187 42.151 42.059 -0.159 0.000 1.106 690 L HN 0.024 nan 8.230 nan 0.000 0.479 691 D N -0.030 120.364 120.400 -0.009 0.000 2.422 691 D HA 0.031 4.663 4.640 -0.015 0.000 0.227 691 D C 0.870 177.200 176.300 0.051 0.000 1.190 691 D CA -0.018 54.047 54.000 0.109 0.000 0.905 691 D CB 0.345 41.212 40.800 0.112 0.000 1.034 691 D HN 0.388 nan 8.370 nan 0.000 0.507 692 H N 2.924 122.114 119.070 0.200 0.000 2.551 692 H HA -0.020 4.528 4.556 -0.014 0.000 0.266 692 H C 1.005 176.394 175.328 0.101 0.000 0.977 692 H CA 0.344 56.468 56.048 0.127 0.000 1.163 692 H CB 0.448 30.271 29.762 0.102 0.000 1.381 692 H HN 0.440 nan 8.280 nan 0.000 0.581 693 F N 0.285 120.363 119.950 0.214 0.000 2.187 693 F HA -0.029 4.489 4.527 -0.015 0.000 0.295 693 F C 2.560 178.422 175.800 0.102 0.000 1.091 693 F CA 0.413 58.504 58.000 0.152 0.000 1.308 693 F CB -0.178 38.878 39.000 0.093 0.000 1.030 693 F HN 0.041 nan 8.300 nan 0.000 0.487 694 I N -0.070 120.658 120.570 0.262 0.000 2.439 694 I HA -0.062 4.099 4.170 -0.015 0.000 0.251 694 I C 1.485 177.653 176.117 0.086 0.000 1.139 694 I CA 0.516 61.899 61.300 0.139 0.000 1.438 694 I CB -0.107 37.949 38.000 0.093 0.000 1.085 694 I HN 0.017 nan 8.210 nan 0.000 0.427 695 A N 0.548 123.412 122.820 0.074 0.000 3.077 695 A HA 0.150 4.462 4.320 -0.015 0.000 0.255 695 A C 1.584 179.161 177.584 -0.011 0.000 1.728 695 A CA 0.406 52.453 52.037 0.017 0.000 1.383 695 A CB -0.884 18.103 19.000 -0.022 0.000 1.097 695 A HN 0.542 nan 8.150 nan 0.000 0.634 696 S N -0.106 115.616 115.700 0.037 0.000 2.547 696 S HA -0.131 4.330 4.470 -0.015 0.000 0.235 696 S C 1.271 175.881 174.600 0.017 0.000 0.980 696 S CA 1.198 59.432 58.200 0.056 0.000 0.941 696 S CB -0.366 62.833 63.200 -0.002 0.000 0.763 696 S HN 0.637 nan 8.310 nan 0.000 0.532 697 N N 1.802 120.504 118.700 0.003 0.000 2.398 697 N HA 0.293 5.024 4.740 -0.015 0.000 0.188 697 N C 0.496 176.043 175.510 0.061 0.000 1.122 697 N CA 0.813 53.911 53.050 0.081 0.000 0.866 697 N CB 0.106 38.667 38.487 0.124 0.000 0.970 697 N HN 0.655 nan 8.380 nan 0.000 0.462 698 G N -0.819 107.858 108.800 -0.204 0.000 2.697 698 G HA2 -0.030 3.921 3.960 -0.015 0.000 0.686 698 G HA3 -0.030 3.921 3.960 -0.015 0.000 0.686 698 G C -0.603 174.056 174.900 -0.403 0.000 1.179 698 G CA -0.419 44.309 45.100 -0.621 0.000 0.765 698 G HN 0.443 nan 8.290 nan 0.000 0.649 699 T N -1.288 112.901 114.554 -0.609 0.000 2.893 699 T HA 0.778 5.119 4.350 -0.015 0.000 0.291 699 T C -0.398 174.368 174.700 0.110 0.000 1.028 699 T CA -0.696 61.363 62.100 -0.068 0.000 0.995 699 T CB 2.261 71.182 68.868 0.089 0.000 1.051 699 T HN 1.629 nan 8.240 nan 0.000 0.470 700 L N 3.153 124.518 121.223 0.237 0.000 2.356 700 L HA 0.786 5.117 4.340 -0.015 0.000 0.277 700 L C -1.727 175.443 176.870 0.499 0.000 0.996 700 L CA -1.057 53.950 54.840 0.279 0.000 0.822 700 L CB 1.403 43.569 42.059 0.179 0.000 1.256 700 L HN 0.789 nan 8.230 nan 0.000 0.413 701 F N 5.288 125.501 119.950 0.438 0.000 2.460 701 F HA 0.532 5.051 4.527 -0.014 0.000 0.341 701 F C -0.770 175.062 175.800 0.053 0.000 1.130 701 F CA -1.057 57.065 58.000 0.204 0.000 0.962 701 F CB 1.184 40.254 39.000 0.117 0.000 1.171 701 F HN 0.427 nan 8.300 nan 0.000 0.436 702 N N 5.206 123.952 118.700 0.075 0.000 2.399 702 N HA 0.378 5.109 4.740 -0.015 0.000 0.295 702 N C -1.155 174.120 175.510 -0.391 0.000 1.048 702 N CA -0.294 52.646 53.050 -0.185 0.000 0.886 702 N CB 2.013 40.507 38.487 0.010 0.000 1.185 702 N HN 0.657 nan 8.380 nan 0.000 0.487 703 Q N 0.906 120.440 119.800 -0.444 0.000 2.389 703 Q HA 0.373 4.704 4.340 -0.015 0.000 0.277 703 Q C -1.107 174.878 176.000 -0.025 0.000 1.082 703 Q CA -0.675 54.971 55.803 -0.261 0.000 0.810 703 Q CB 3.122 31.672 28.738 -0.313 0.000 1.374 703 Q HN 0.363 nan 8.270 nan 0.000 0.422 704 K N 2.230 122.595 120.400 -0.058 0.000 2.426 704 K HA 0.547 4.858 4.320 -0.015 0.000 0.254 704 K C -1.676 174.845 176.600 -0.132 0.000 0.936 704 K CA -0.325 55.959 56.287 -0.004 0.000 0.801 704 K CB 1.001 33.477 32.500 -0.040 0.000 1.139 704 K HN 0.366 nan 8.250 nan 0.000 0.424 705 F N 1.943 121.945 119.950 0.086 0.000 2.522 705 F HA 0.272 4.790 4.527 -0.015 0.000 0.324 705 F C 0.528 176.357 175.800 0.049 0.000 1.077 705 F CA -0.770 57.274 58.000 0.075 0.000 0.944 705 F CB 1.310 40.323 39.000 0.022 0.000 1.175 705 F HN 0.513 nan 8.300 nan 0.000 0.468 706 H N 3.990 123.170 119.070 0.184 0.000 2.732 706 H HA 0.135 4.682 4.556 -0.015 0.000 0.351 706 H C -1.935 173.451 175.328 0.097 0.000 1.090 706 H CA -1.488 54.614 56.048 0.090 0.000 1.431 706 H CB 1.737 31.533 29.762 0.056 0.000 1.447 706 H HN 0.305 nan 8.280 nan 0.000 0.582 707 P HA -0.215 nan 4.420 nan 0.000 0.217 707 P C 1.592 178.917 177.300 0.041 0.000 1.148 707 P CA 2.315 65.349 63.100 -0.110 0.000 0.834 707 P CB 0.093 31.665 31.700 -0.212 0.000 0.783 708 S N -0.750 115.100 115.700 0.251 0.000 2.419 708 S HA -0.141 4.320 4.470 -0.015 0.000 0.233 708 S C 2.033 176.696 174.600 0.105 0.000 1.016 708 S CA 1.114 59.436 58.200 0.203 0.000 0.974 708 S CB -1.338 62.014 63.200 0.253 0.000 0.786 708 S HN 0.144 nan 8.310 nan 0.000 0.492 709 A N 0.834 123.731 122.820 0.129 0.000 2.067 709 A HA 0.247 4.559 4.320 -0.015 0.000 0.219 709 A C 1.782 179.290 177.584 -0.128 0.000 1.158 709 A CA 0.968 53.021 52.037 0.027 0.000 0.661 709 A CB -0.425 18.663 19.000 0.146 0.000 0.801 709 A HN 0.502 nan 8.150 nan 0.000 0.452 710 L N -0.827 120.325 121.223 -0.118 0.000 2.769 710 L HA 0.236 4.568 4.340 -0.015 0.000 0.240 710 L C 0.746 177.558 176.870 -0.096 0.000 1.163 710 L CA 0.191 54.932 54.840 -0.166 0.000 0.962 710 L CB -0.030 41.919 42.059 -0.184 0.000 1.258 710 L HN 0.227 nan 8.230 nan 0.000 0.513 711 K N 0.783 121.149 120.400 -0.057 0.000 2.401 711 K HA 0.401 4.713 4.320 -0.015 0.000 0.278 711 K C 0.838 177.410 176.600 -0.046 0.000 1.018 711 K CA 0.789 57.054 56.287 -0.036 0.000 0.981 711 K CB 0.208 32.701 32.500 -0.012 0.000 0.933 711 K HN 0.207 nan 8.250 nan 0.000 0.477 712 G N 3.659 112.435 108.800 -0.040 0.000 2.806 712 G HA2 -0.269 3.682 3.960 -0.015 0.000 0.236 712 G HA3 -0.269 3.682 3.960 -0.015 0.000 0.236 712 G C 0.160 175.026 174.900 -0.056 0.000 1.387 712 G CA -0.010 45.065 45.100 -0.043 0.000 0.884 712 G HN 0.812 nan 8.290 nan 0.000 0.560 713 D N 0.295 120.663 120.400 -0.053 0.000 2.178 713 D HA -0.094 4.537 4.640 -0.015 0.000 0.201 713 D C 2.324 178.582 176.300 -0.071 0.000 0.980 713 D CA 1.292 55.255 54.000 -0.060 0.000 0.842 713 D CB -0.136 40.633 40.800 -0.052 0.000 0.948 713 D HN 0.393 nan 8.370 nan 0.000 0.472 714 N N 0.636 119.297 118.700 -0.066 0.000 2.166 714 N HA -0.102 4.629 4.740 -0.015 0.000 0.186 714 N C 1.979 177.428 175.510 -0.102 0.000 1.019 714 N CA 1.177 54.183 53.050 -0.074 0.000 0.856 714 N CB -0.446 38.005 38.487 -0.060 0.000 0.993 714 N HN 0.235 nan 8.380 nan 0.000 0.426 715 G N 1.720 110.456 108.800 -0.107 0.000 2.418 715 G HA2 -0.165 3.786 3.960 -0.015 0.000 0.217 715 G HA3 -0.165 3.786 3.960 -0.015 0.000 0.217 715 G C 1.718 176.501 174.900 -0.196 0.000 1.158 715 G CA 0.370 45.378 45.100 -0.152 0.000 0.771 715 G HN 0.215 nan 8.290 nan 0.000 0.545 716 L N 0.022 121.153 121.223 -0.153 0.000 2.056 716 L HA -0.050 4.282 4.340 -0.015 0.000 0.207 716 L C 3.107 179.878 176.870 -0.164 0.000 1.078 716 L CA 0.703 55.448 54.840 -0.158 0.000 0.749 716 L CB -0.415 41.580 42.059 -0.107 0.000 0.901 716 L HN 0.158 nan 8.230 nan 0.000 0.433 717 M N -0.331 119.190 119.600 -0.132 0.000 2.117 717 M HA -0.153 4.318 4.480 -0.015 0.000 0.262 717 M C 1.968 178.180 176.300 -0.147 0.000 1.065 717 M CA 1.497 56.726 55.300 -0.118 0.000 1.114 717 M CB -1.265 31.282 32.600 -0.089 0.000 1.361 717 M HN 0.302 nan 8.290 nan 0.000 0.408 718 N N 0.683 119.280 118.700 -0.172 0.000 2.142 718 N HA -0.080 4.652 4.740 -0.015 0.000 0.186 718 N C 1.817 177.157 175.510 -0.284 0.000 1.023 718 N CA 0.802 53.735 53.050 -0.195 0.000 0.852 718 N CB -0.428 37.944 38.487 -0.191 0.000 0.998 718 N HN 0.276 nan 8.380 nan 0.000 0.424 719 L N 0.737 121.729 121.223 -0.385 0.000 2.046 719 L HA -0.108 4.223 4.340 -0.015 0.000 0.208 719 L C 2.265 178.876 176.870 -0.432 0.000 1.077 719 L CA 1.430 55.937 54.840 -0.555 0.000 0.747 719 L CB -0.826 40.853 42.059 -0.632 0.000 0.896 719 L HN 0.137 nan 8.230 nan 0.000 0.432 720 S N -1.171 114.348 115.700 -0.302 0.000 2.368 720 S HA -0.210 4.251 4.470 -0.015 0.000 0.225 720 S C 2.287 176.775 174.600 -0.187 0.000 1.030 720 S CA 1.919 59.984 58.200 -0.226 0.000 0.999 720 S CB -0.207 62.907 63.200 -0.143 0.000 0.844 720 S HN 0.607 nan 8.310 nan 0.000 0.459 721 S N 0.274 115.878 115.700 -0.159 0.000 2.383 721 S HA -0.041 4.420 4.470 -0.015 0.000 0.227 721 S C 1.821 176.356 174.600 -0.108 0.000 1.026 721 S CA 1.194 59.327 58.200 -0.110 0.000 0.981 721 S CB -0.623 62.523 63.200 -0.090 0.000 0.818 721 S HN 0.499 nan 8.310 nan 0.000 0.472 722 L N 1.665 122.797 121.223 -0.151 0.000 1.994 722 L HA 0.033 4.364 4.340 -0.015 0.000 0.208 722 L C 2.096 178.906 176.870 -0.099 0.000 1.071 722 L CA 1.817 56.592 54.840 -0.108 0.000 0.745 722 L CB -0.613 41.354 42.059 -0.153 0.000 0.892 722 L HN 0.408 nan 8.230 nan 0.000 0.431 723 I N -0.836 119.600 120.570 -0.224 0.000 2.142 723 I HA -0.323 3.839 4.170 -0.015 0.000 0.240 723 I C 2.664 178.566 176.117 -0.358 0.000 1.078 723 I CA 1.420 62.490 61.300 -0.382 0.000 1.343 723 I CB -0.377 37.266 38.000 -0.595 0.000 1.046 723 I HN 0.226 nan 8.210 nan 0.000 0.405 724 R N 0.076 120.460 120.500 -0.193 0.000 2.105 724 R HA -0.173 4.159 4.340 -0.015 0.000 0.239 724 R C 2.573 178.891 176.300 0.030 0.000 1.135 724 R CA 1.695 57.765 56.100 -0.049 0.000 0.967 724 R CB -0.413 29.873 30.300 -0.022 0.000 0.861 724 R HN 0.286 nan 8.270 nan 0.000 0.442 725 S N -0.150 115.566 115.700 0.025 0.000 2.368 725 S HA -0.188 4.274 4.470 -0.015 0.000 0.224 725 S C 1.788 176.481 174.600 0.154 0.000 1.029 725 S CA 1.012 59.259 58.200 0.077 0.000 0.988 725 S CB -0.266 62.972 63.200 0.062 0.000 0.838 725 S HN 0.440 nan 8.310 nan 0.000 0.462 726 Y N 1.145 121.465 120.300 0.033 0.000 2.200 726 Y HA -0.006 4.535 4.550 -0.015 0.000 0.290 726 Y C 1.742 177.803 175.900 0.267 0.000 1.137 726 Y CA 1.424 59.596 58.100 0.119 0.000 1.163 726 Y CB -0.714 37.808 38.460 0.104 0.000 0.988 726 Y HN 0.308 nan 8.280 nan 0.000 0.518 727 F N 0.726 120.630 119.950 -0.075 0.000 2.234 727 F HA -0.126 4.392 4.527 -0.014 0.000 0.299 727 F C 2.094 177.833 175.800 -0.102 0.000 1.087 727 F CA 1.213 59.114 58.000 -0.165 0.000 1.340 727 F CB -1.070 37.916 39.000 -0.024 0.000 1.031 727 F HN 0.115 nan 8.300 nan 0.000 0.500 728 D N -0.308 120.189 120.400 0.163 0.000 2.264 728 D HA -0.138 4.493 4.640 -0.015 0.000 0.208 728 D C 1.698 178.043 176.300 0.075 0.000 0.966 728 D CA 0.886 54.949 54.000 0.104 0.000 0.864 728 D CB -0.336 40.517 40.800 0.088 0.000 0.933 728 D HN 0.391 nan 8.370 nan 0.000 0.499 729 Q N 0.129 119.962 119.800 0.055 0.000 2.280 729 Q HA 0.057 4.388 4.340 -0.015 0.000 0.202 729 Q C -0.171 175.837 176.000 0.012 0.000 0.903 729 Q CA -0.038 55.798 55.803 0.054 0.000 0.948 729 Q CB 0.496 29.286 28.738 0.087 0.000 1.058 729 Q HN -0.052 nan 8.270 nan 0.000 0.493 730 K N -1.186 119.181 120.400 -0.054 0.000 3.338 730 K HA -0.110 4.201 4.320 -0.015 0.000 0.292 730 K C 0.030 176.400 176.600 -0.383 0.000 1.268 730 K CA 0.800 57.012 56.287 -0.126 0.000 0.853 730 K CB -2.276 30.299 32.500 0.125 0.000 1.342 730 K HN 0.466 nan 8.250 nan 0.000 0.501 731 G N -0.129 108.258 108.800 -0.690 0.000 2.527 731 G HA2 0.351 4.302 3.960 -0.015 0.000 0.248 731 G HA3 0.351 4.302 3.960 -0.015 0.000 0.248 731 G C 0.708 175.179 174.900 -0.715 0.000 1.231 731 G CA -0.388 43.950 45.100 -1.270 0.000 0.838 731 G HN 0.144 nan 8.290 nan 0.000 0.570 732 F N 0.304 119.883 119.950 -0.618 0.000 2.188 732 F HA 0.212 4.730 4.527 -0.015 0.000 0.289 732 F C 1.126 176.940 175.800 0.022 0.000 1.082 732 F CA 1.168 59.028 58.000 -0.233 0.000 1.282 732 F CB 0.433 39.460 39.000 0.045 0.000 1.060 732 F HN 0.543 nan 8.300 nan 0.000 0.493 733 H N -0.683 118.720 119.070 0.555 0.000 3.037 733 H HA 0.537 5.084 4.556 -0.015 0.000 0.355 733 H C -1.949 173.704 175.328 0.542 0.000 1.263 733 H CA -0.670 55.648 56.048 0.450 0.000 1.129 733 H CB 1.593 31.501 29.762 0.243 0.000 1.861 733 H HN 0.004 nan 8.280 nan 0.000 0.546 734 V N 3.549 123.105 119.914 -0.596 0.000 3.048 734 V HA 0.446 4.557 4.120 -0.015 0.000 0.303 734 V C -1.783 173.741 176.094 -0.950 0.000 1.214 734 V CA -0.326 61.525 62.300 -0.748 0.000 0.984 734 V CB 2.153 33.676 31.823 -0.500 0.000 1.054 734 V HN 1.032 nan 8.190 nan 0.000 0.430 735 Q N 4.063 123.267 119.800 -0.993 0.000 2.462 735 Q HA 0.699 5.030 4.340 -0.015 0.000 0.285 735 Q C -2.225 173.277 176.000 -0.830 0.000 1.035 735 Q CA -0.752 54.699 55.803 -0.588 0.000 0.799 735 Q CB 2.646 31.304 28.738 -0.134 0.000 1.452 735 Q HN 0.525 nan 8.270 nan 0.000 0.404 736 F N 0.371 120.340 119.950 0.031 0.000 2.556 736 F HA 0.480 4.999 4.527 -0.014 0.000 0.314 736 F C -0.142 175.691 175.800 0.055 0.000 1.106 736 F CA -0.927 57.099 58.000 0.044 0.000 0.911 736 F CB 2.018 41.070 39.000 0.087 0.000 1.190 736 F HN 0.464 nan 8.300 nan 0.000 0.448 737 N N 1.257 120.092 118.700 0.225 0.000 2.438 737 N HA 0.578 5.309 4.740 -0.015 0.000 0.282 737 N C -1.326 174.279 175.510 0.159 0.000 1.037 737 N CA -0.197 52.928 53.050 0.126 0.000 0.942 737 N CB 2.124 40.642 38.487 0.051 0.000 1.136 737 N HN 0.381 nan 8.380 nan 0.000 0.481 738 V N 4.698 124.668 119.914 0.094 0.000 2.443 738 V HA 0.485 4.596 4.120 -0.015 0.000 0.272 738 V C -0.237 175.850 176.094 -0.011 0.000 1.002 738 V CA -0.536 61.804 62.300 0.068 0.000 0.840 738 V CB 0.669 32.521 31.823 0.047 0.000 1.042 738 V HN 0.559 nan 8.190 nan 0.000 0.446 739 I N 1.540 122.081 120.570 -0.050 0.000 2.918 739 I HA 0.495 4.657 4.170 -0.015 0.000 0.301 739 I C -1.321 174.705 176.117 -0.152 0.000 1.312 739 I CA -0.489 60.749 61.300 -0.103 0.000 1.007 739 I CB 2.582 40.515 38.000 -0.113 0.000 1.281 739 I HN 0.463 nan 8.210 nan 0.000 0.440 740 D N 5.711 126.010 120.400 -0.168 0.000 2.371 740 D HA 0.038 4.669 4.640 -0.015 0.000 0.256 740 D C 0.783 176.993 176.300 -0.150 0.000 1.193 740 D CA 0.327 54.221 54.000 -0.177 0.000 0.881 740 D CB 1.462 42.180 40.800 -0.137 0.000 1.143 740 D HN 0.583 nan 8.370 nan 0.000 0.473 741 K N 3.620 123.949 120.400 -0.118 0.000 2.211 741 K HA -0.171 4.140 4.320 -0.015 0.000 0.204 741 K C 1.360 177.888 176.600 -0.121 0.000 1.047 741 K CA 1.049 57.270 56.287 -0.111 0.000 0.935 741 K CB 0.232 32.695 32.500 -0.061 0.000 0.728 741 K HN 0.325 nan 8.250 nan 0.000 0.452 742 K N 0.340 120.682 120.400 -0.096 0.000 2.147 742 K HA -0.091 4.220 4.320 -0.015 0.000 0.205 742 K C 1.950 178.463 176.600 -0.146 0.000 1.049 742 K CA 0.974 57.208 56.287 -0.088 0.000 0.936 742 K CB -0.009 32.463 32.500 -0.047 0.000 0.722 742 K HN 0.152 nan 8.250 nan 0.000 0.446 743 I N 1.339 121.802 120.570 -0.179 0.000 2.252 743 I HA -0.224 3.937 4.170 -0.015 0.000 0.245 743 I C 2.200 178.038 176.117 -0.466 0.000 1.102 743 I CA 1.429 62.565 61.300 -0.273 0.000 1.385 743 I CB -0.973 36.916 38.000 -0.185 0.000 1.064 743 I HN 0.164 nan 8.210 nan 0.000 0.414 744 L N 0.023 120.983 121.223 -0.438 0.000 2.046 744 L HA -0.197 4.135 4.340 -0.015 0.000 0.208 744 L C 2.639 179.331 176.870 -0.296 0.000 1.077 744 L CA 1.178 55.654 54.840 -0.608 0.000 0.747 744 L CB -0.617 41.108 42.059 -0.556 0.000 0.896 744 L HN 0.192 nan 8.230 nan 0.000 0.432 745 L N -0.258 120.852 121.223 -0.189 0.000 2.083 745 L HA -0.170 4.161 4.340 -0.015 0.000 0.209 745 L C 2.874 179.677 176.870 -0.110 0.000 1.083 745 L CA 1.096 55.883 54.840 -0.088 0.000 0.752 745 L CB -0.719 41.301 42.059 -0.066 0.000 0.899 745 L HN 0.243 nan 8.230 nan 0.000 0.433 746 A N 0.001 122.690 122.820 -0.219 0.000 1.969 746 A HA -0.090 4.221 4.320 -0.015 0.000 0.218 746 A C 2.495 179.874 177.584 -0.340 0.000 1.169 746 A CA 1.479 53.373 52.037 -0.237 0.000 0.635 746 A CB -0.522 18.319 19.000 -0.265 0.000 0.810 746 A HN 0.391 nan 8.150 nan 0.000 0.445 747 A N -0.721 121.779 122.820 -0.534 0.000 2.015 747 A HA -0.148 4.164 4.320 -0.015 0.000 0.219 747 A C 2.059 179.691 177.584 0.080 0.000 1.163 747 A CA 1.424 53.297 52.037 -0.274 0.000 0.646 747 A CB -0.401 18.521 19.000 -0.131 0.000 0.806 747 A HN 0.657 nan 8.150 nan 0.000 0.448 748 Q N -0.548 119.309 119.800 0.095 0.000 2.187 748 Q HA -0.062 4.270 4.340 -0.015 0.000 0.199 748 Q C 1.766 177.794 176.000 0.046 0.000 0.957 748 Q CA 1.232 57.086 55.803 0.084 0.000 0.857 748 Q CB -0.055 28.732 28.738 0.083 0.000 0.929 748 Q HN 0.636 nan 8.270 nan 0.000 0.453 749 K N 0.114 120.536 120.400 0.037 0.000 2.186 749 K HA 0.052 4.363 4.320 -0.015 0.000 0.202 749 K C 0.391 177.033 176.600 0.072 0.000 1.052 749 K CA 0.530 56.844 56.287 0.044 0.000 0.965 749 K CB 0.430 32.951 32.500 0.035 0.000 0.746 749 K HN 0.045 nan 8.250 nan 0.000 0.457 750 N N 0.671 119.441 118.700 0.117 0.000 2.752 750 N HA 0.148 4.879 4.740 -0.015 0.000 0.260 750 N C -2.533 173.120 175.510 0.238 0.000 1.562 750 N CA -1.050 52.096 53.050 0.161 0.000 0.788 750 N CB 1.612 40.209 38.487 0.184 0.000 1.192 750 N HN -0.149 nan 8.380 nan 0.000 0.503 751 P HA -0.193 nan 4.420 nan 0.000 0.216 751 P C 0.896 178.298 177.300 0.170 0.000 1.157 751 P CA 1.635 64.842 63.100 0.177 0.000 0.880 751 P CB 0.402 32.158 31.700 0.093 0.000 0.791 752 E N -0.420 119.845 120.200 0.107 0.000 2.267 752 E HA -0.183 4.158 4.350 -0.015 0.000 0.197 752 E C 1.545 178.163 176.600 0.031 0.000 0.998 752 E CA 1.188 57.625 56.400 0.062 0.000 0.830 752 E CB -0.820 28.903 29.700 0.038 0.000 0.751 752 E HN 0.207 nan 8.360 nan 0.000 0.491 753 K N -0.557 119.867 120.400 0.040 0.000 2.418 753 K HA 0.075 4.386 4.320 -0.015 0.000 0.195 753 K C -0.201 176.137 176.600 -0.438 0.000 1.035 753 K CA 0.450 56.634 56.287 -0.172 0.000 1.003 753 K CB 0.236 32.624 32.500 -0.187 0.000 0.793 753 K HN 0.231 nan 8.250 nan 0.000 0.494 754 Y N 0.017 120.341 120.300 0.040 0.000 2.577 754 Y HA 0.236 4.777 4.550 -0.015 0.000 0.307 754 Y C 0.648 176.585 175.900 0.063 0.000 0.940 754 Y CA -0.572 57.557 58.100 0.048 0.000 1.132 754 Y CB 0.375 38.873 38.460 0.062 0.000 1.184 754 Y HN -0.046 nan 8.280 nan 0.000 0.611 755 Q N 0.529 120.397 119.800 0.114 0.000 2.224 755 Q HA -0.141 4.190 4.340 -0.015 0.000 0.203 755 Q C 1.081 177.138 176.000 0.094 0.000 0.970 755 Q CA 1.527 57.389 55.803 0.099 0.000 0.865 755 Q CB 0.155 28.925 28.738 0.054 0.000 0.922 755 Q HN 0.590 nan 8.270 nan 0.000 0.445 756 D N -0.173 120.274 120.400 0.078 0.000 2.342 756 D HA -0.017 4.614 4.640 -0.015 0.000 0.221 756 D C 0.088 176.440 176.300 0.086 0.000 1.101 756 D CA -0.258 53.781 54.000 0.066 0.000 0.837 756 D CB -0.072 40.748 40.800 0.033 0.000 0.938 756 D HN 0.050 nan 8.370 nan 0.000 0.508 757 L N 1.547 122.850 121.223 0.134 0.000 2.361 757 L HA 0.246 4.577 4.340 -0.015 0.000 0.278 757 L C -0.672 176.268 176.870 0.117 0.000 1.113 757 L CA -0.224 54.692 54.840 0.126 0.000 0.849 757 L CB 0.343 42.502 42.059 0.168 0.000 1.155 757 L HN -0.080 nan 8.230 nan 0.000 0.452 758 I N 6.220 126.831 120.570 0.070 0.000 2.493 758 I HA 0.514 4.675 4.170 -0.015 0.000 0.298 758 I C -0.227 175.913 176.117 0.040 0.000 0.998 758 I CA -0.599 60.741 61.300 0.068 0.000 1.137 758 I CB 1.523 39.552 38.000 0.048 0.000 1.310 758 I HN 0.429 nan 8.210 nan 0.000 0.445 759 V N 5.932 125.880 119.914 0.057 0.000 3.007 759 V HA 0.548 4.659 4.120 -0.015 0.000 0.311 759 V C -0.649 175.440 176.094 -0.007 0.000 1.120 759 V CA -0.823 61.493 62.300 0.026 0.000 0.980 759 V CB 2.800 34.664 31.823 0.069 0.000 1.033 759 V HN 0.829 nan 8.190 nan 0.000 0.429 760 R N 3.189 123.675 120.500 -0.023 0.000 2.308 760 R HA 0.576 4.907 4.340 -0.015 0.000 0.305 760 R C -0.038 176.190 176.300 -0.120 0.000 1.053 760 R CA 0.442 56.503 56.100 -0.065 0.000 0.957 760 R CB 1.232 31.526 30.300 -0.010 0.000 1.022 760 R HN 0.602 nan 8.270 nan 0.000 0.461 761 V N 2.444 122.179 119.914 -0.299 0.000 2.693 761 V HA 0.460 4.571 4.120 -0.015 0.000 0.223 761 V C 0.056 176.056 176.094 -0.157 0.000 1.131 761 V CA 0.888 62.996 62.300 -0.319 0.000 1.177 761 V CB -0.159 31.231 31.823 -0.721 0.000 0.852 761 V HN 0.819 nan 8.190 nan 0.000 0.507 762 A N -0.926 121.806 122.820 -0.147 0.000 2.686 762 A HA 0.569 4.881 4.320 -0.015 0.000 0.299 762 A C 0.469 178.237 177.584 0.307 0.000 1.151 762 A CA 0.469 52.583 52.037 0.129 0.000 0.851 762 A CB 0.480 19.596 19.000 0.192 0.000 1.448 762 A HN 1.571 nan 8.150 nan 0.000 0.404 763 G N 0.604 109.556 108.800 0.253 0.000 2.176 763 G HA2 -0.097 3.854 3.960 -0.015 0.000 0.253 763 G HA3 -0.097 3.854 3.960 -0.015 0.000 0.253 763 G C -0.036 175.130 174.900 0.442 0.000 0.979 763 G CA 1.008 46.287 45.100 0.297 0.000 0.641 763 G HN 2.412 nan 8.290 nan 0.000 0.530 764 Y N -1.452 118.958 120.300 0.182 0.000 2.641 764 Y HA 0.757 5.299 4.550 -0.015 0.000 0.333 764 Y C -0.341 175.610 175.900 0.085 0.000 1.174 764 Y CA -0.834 57.343 58.100 0.127 0.000 1.057 764 Y CB 0.594 39.116 38.460 0.103 0.000 1.322 764 Y HN 0.203 nan 8.280 nan 0.000 0.457 765 S N 1.206 116.943 115.700 0.061 0.000 2.608 765 S HA 0.953 5.415 4.470 -0.015 0.000 0.291 765 S C -0.684 173.931 174.600 0.026 0.000 1.146 765 S CA -0.200 57.982 58.200 -0.030 0.000 1.043 765 S CB 1.496 64.714 63.200 0.030 0.000 1.037 765 S HN 1.043 nan 8.310 nan 0.000 0.520 766 A N 1.351 124.170 122.820 -0.000 0.000 2.556 766 A HA 0.606 4.917 4.320 -0.015 0.000 0.294 766 A C -0.930 176.706 177.584 0.086 0.000 1.091 766 A CA -0.750 51.328 52.037 0.068 0.000 0.704 766 A CB 1.126 20.164 19.000 0.063 0.000 1.300 766 A HN 0.720 nan 8.150 nan 0.000 0.406 767 Q N 1.198 121.058 119.800 0.100 0.000 2.286 767 Q HA 0.139 4.470 4.340 -0.015 0.000 0.265 767 Q C 0.168 176.239 176.000 0.118 0.000 1.080 767 Q CA -0.199 55.675 55.803 0.118 0.000 0.906 767 Q CB -0.023 28.786 28.738 0.119 0.000 1.227 767 Q HN 0.723 nan 8.270 nan 0.000 0.409 768 F N 5.719 125.671 119.950 0.004 0.000 2.085 768 F HA -0.313 4.205 4.527 -0.015 0.000 0.299 768 F C 1.592 177.382 175.800 -0.017 0.000 1.096 768 F CA 2.341 60.331 58.000 -0.017 0.000 1.227 768 F CB -0.086 38.901 39.000 -0.022 0.000 0.983 768 F HN 0.797 nan 8.300 nan 0.000 0.482 769 I N -1.223 119.354 120.570 0.011 0.000 3.176 769 I HA -0.053 4.109 4.170 -0.015 0.000 0.275 769 I C 1.838 177.877 176.117 -0.130 0.000 1.298 769 I CA 1.241 62.489 61.300 -0.085 0.000 1.445 769 I CB -0.836 37.201 38.000 0.062 0.000 1.075 769 I HN 0.239 nan 8.210 nan 0.000 0.482 770 S N 0.689 116.310 115.700 -0.131 0.000 2.548 770 S HA 0.299 4.760 4.470 -0.015 0.000 0.215 770 S C 0.712 175.136 174.600 -0.293 0.000 0.976 770 S CA -0.424 57.655 58.200 -0.202 0.000 0.908 770 S CB -0.431 62.663 63.200 -0.177 0.000 0.781 770 S HN 0.421 nan 8.310 nan 0.000 0.519 771 L N 2.236 123.290 121.223 -0.282 0.000 2.375 771 L HA 0.424 4.755 4.340 -0.015 0.000 0.271 771 L C 0.293 177.009 176.870 -0.257 0.000 1.107 771 L CA -0.701 53.980 54.840 -0.265 0.000 0.806 771 L CB 0.578 42.468 42.059 -0.283 0.000 1.146 771 L HN 0.167 nan 8.230 nan 0.000 0.447 772 D N 1.225 121.515 120.400 -0.184 0.000 2.423 772 D HA -0.054 4.577 4.640 -0.015 0.000 0.238 772 D C 1.103 177.312 176.300 -0.152 0.000 1.142 772 D CA 0.055 53.969 54.000 -0.143 0.000 0.884 772 D CB 0.909 41.649 40.800 -0.100 0.000 1.199 772 D HN 0.437 nan 8.370 nan 0.000 0.438 773 K N 1.372 121.697 120.400 -0.124 0.000 2.160 773 K HA -0.216 4.096 4.320 -0.015 0.000 0.206 773 K C 1.788 178.346 176.600 -0.071 0.000 1.047 773 K CA 1.628 57.850 56.287 -0.108 0.000 0.930 773 K CB -0.126 32.334 32.500 -0.067 0.000 0.720 773 K HN 0.575 nan 8.250 nan 0.000 0.450 774 S N 0.525 116.194 115.700 -0.051 0.000 2.382 774 S HA -0.144 4.317 4.470 -0.015 0.000 0.228 774 S C 1.960 176.545 174.600 -0.025 0.000 1.027 774 S CA 1.217 59.402 58.200 -0.025 0.000 0.991 774 S CB -0.459 62.735 63.200 -0.010 0.000 0.823 774 S HN 0.349 nan 8.310 nan 0.000 0.469 775 I N 1.567 122.108 120.570 -0.048 0.000 2.406 775 I HA -0.113 4.049 4.170 -0.015 0.000 0.249 775 I C 2.943 179.040 176.117 -0.034 0.000 1.122 775 I CA 0.923 62.199 61.300 -0.040 0.000 1.431 775 I CB -0.397 37.569 38.000 -0.055 0.000 1.087 775 I HN 0.336 nan 8.210 nan 0.000 0.424 776 Q N 0.739 120.484 119.800 -0.091 0.000 2.050 776 Q HA -0.189 4.142 4.340 -0.015 0.000 0.202 776 Q C 1.936 177.990 176.000 0.091 0.000 0.980 776 Q CA 1.427 57.204 55.803 -0.043 0.000 0.840 776 Q CB -0.223 28.354 28.738 -0.268 0.000 0.898 776 Q HN 0.486 nan 8.270 nan 0.000 0.424 777 N N 0.883 119.603 118.700 0.033 0.000 2.166 777 N HA -0.158 4.573 4.740 -0.015 0.000 0.186 777 N C 1.283 176.814 175.510 0.034 0.000 1.019 777 N CA 1.384 54.457 53.050 0.039 0.000 0.856 777 N CB -0.324 38.173 38.487 0.017 0.000 0.993 777 N HN 0.260 nan 8.380 nan 0.000 0.426 778 D N 0.564 120.979 120.400 0.026 0.000 2.117 778 D HA 0.007 4.638 4.640 -0.015 0.000 0.198 778 D C 1.977 178.295 176.300 0.030 0.000 0.982 778 D CA 0.621 54.635 54.000 0.023 0.000 0.828 778 D CB -0.011 40.800 40.800 0.018 0.000 0.967 778 D HN 0.199 nan 8.370 nan 0.000 0.464 779 I N 0.105 120.704 120.570 0.047 0.000 2.202 779 I HA -0.203 3.959 4.170 -0.015 0.000 0.242 779 I C 2.294 178.431 176.117 0.032 0.000 1.091 779 I CA 0.704 62.034 61.300 0.049 0.000 1.368 779 I CB -0.205 37.852 38.000 0.096 0.000 1.058 779 I HN 0.078 nan 8.210 nan 0.000 0.410 780 I N 0.948 121.548 120.570 0.051 0.000 2.286 780 I HA -0.269 3.892 4.170 -0.015 0.000 0.248 780 I C 2.591 178.705 176.117 -0.005 0.000 1.115 780 I CA 1.291 62.600 61.300 0.015 0.000 1.392 780 I CB -0.397 37.624 38.000 0.035 0.000 1.065 780 I HN 0.182 nan 8.210 nan 0.000 0.418 781 A N 0.518 123.340 122.820 0.003 0.000 2.167 781 A HA -0.005 4.306 4.320 -0.015 0.000 0.214 781 A C 1.241 178.813 177.584 -0.020 0.000 1.151 781 A CA 0.162 52.195 52.037 -0.008 0.000 0.735 781 A CB -0.382 18.619 19.000 0.002 0.000 0.802 781 A HN 0.269 nan 8.150 nan 0.000 0.467 782 R N 0.585 121.073 120.500 -0.020 0.000 2.756 782 R HA 0.196 4.528 4.340 -0.015 0.000 0.264 782 R C -0.181 176.071 176.300 -0.080 0.000 1.026 782 R CA 0.227 56.307 56.100 -0.033 0.000 1.121 782 R CB 0.054 30.341 30.300 -0.023 0.000 0.999 782 R HN 0.205 nan 8.270 nan 0.000 0.449 783 T N 2.219 116.703 114.554 -0.116 0.000 2.928 783 T HA -0.038 4.303 4.350 -0.015 0.000 0.305 783 T C 0.246 174.751 174.700 -0.325 0.000 1.035 783 T CA 0.272 62.232 62.100 -0.234 0.000 1.145 783 T CB 0.327 69.009 68.868 -0.310 0.000 0.963 783 T HN 0.456 nan 8.240 nan 0.000 0.545 784 E N 3.063 123.070 120.200 -0.321 0.000 2.133 784 E HA 0.182 4.523 4.350 -0.015 0.000 0.274 784 E C -0.554 175.825 176.600 -0.368 0.000 0.930 784 E CA -0.747 55.494 56.400 -0.264 0.000 0.770 784 E CB 0.556 30.196 29.700 -0.100 0.000 1.104 784 E HN 0.637 nan 8.360 nan 0.000 0.403 785 H N 1.605 120.495 119.070 -0.298 0.000 2.559 785 H HA 0.481 5.029 4.556 -0.015 0.000 0.343 785 H C -0.062 175.200 175.328 -0.110 0.000 1.209 785 H CA -0.575 55.271 56.048 -0.336 0.000 1.287 785 H CB 1.831 31.162 29.762 -0.719 0.000 1.650 785 H HN 0.418 nan 8.280 nan 0.000 0.567 786 V N -0.830 119.205 119.914 0.201 0.000 3.040 786 V HA 0.400 4.511 4.120 -0.015 0.000 0.312 786 V C 0.332 176.612 176.094 0.310 0.000 1.115 786 V CA -1.179 61.285 62.300 0.272 0.000 0.998 786 V CB 2.122 34.011 31.823 0.109 0.000 1.042 786 V HN 0.494 nan 8.190 nan 0.000 0.433 787 M N 0.000 119.749 119.600 0.248 0.000 2.572 787 M HA 0.000 4.471 4.480 -0.015 0.000 0.227 787 M CA 0.000 55.389 55.300 0.148 0.000 0.988 787 M CB 0.000 32.601 32.600 0.002 0.000 1.302 787 M HN 0.000 nan 8.290 nan 0.000 0.411