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 2wy0_1_C DATA FIRST_RESID 1 DATA SEQUENCE DRVYIHPFHL LYHNKSTcXX XXXXXXETLP ESTFEPVPIQ AKTSPVNEKT DATA SEQUENCE LHDQLVLAAE KLEDEDRKRA AQVAMITNFV GFRMYKMLNE AGSGASGAIL DATA SEQUENCE SPPALFGTLV SFYLGSLDPT ASQLQTLLDV PVKEGDcTSR LDGHKVLAAL DATA SEQUENCE RAVQGLLVTX XXXXXXTPLL QSIVVGLFTA PGFRLKHSFV QSLALFTPAL DATA SEQUENCE FPRSLDLSTD PVLATEKINR FIKAVTGWKM NLPLEGVSTD STLLFNTYVH DATA SEQUENCE FQGTMRGFSQ LPGVHEFWVD NSISVSVPMI SGTGNFQHWS DAQNNFSVTC DATA SEQUENCE VPLGERATLL LIQPHCISDL DRVEALIFQX DLLTWIENPP PRAIRLTLPQ DATA SEQUENCE LEIRGSYNLQ DLLAEDKLPT LLGAEANLNN IGDTNPRVGE VLNSILLELK DATA SEQUENCE AGEEEQXXXX XXXXXXPEAL DVTLSSPFLF AIYEQDSGTL HFLGRVNNPQ 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.349 176.300 0.082 0.000 2.045 1 D CA 0.000 54.043 54.000 0.072 0.000 0.868 1 D CB 0.000 40.840 40.800 0.067 0.000 0.688 2 R N 1.409 121.969 120.500 0.099 0.000 2.248 2 R HA 0.537 4.874 4.340 -0.004 0.000 0.337 2 R C -0.607 175.743 176.300 0.082 0.000 1.085 2 R CA -0.359 55.779 56.100 0.064 0.000 0.934 2 R CB 1.056 31.408 30.300 0.087 0.000 1.034 2 R HN -0.044 nan 8.270 nan 0.000 0.465 3 V N 4.324 124.237 119.914 -0.002 0.000 2.614 3 V HA 0.148 4.266 4.120 -0.004 0.000 0.291 3 V C -0.269 175.702 176.094 -0.205 0.000 1.049 3 V CA -0.063 62.249 62.300 0.020 0.000 1.038 3 V CB 0.047 31.922 31.823 0.086 0.000 0.980 3 V HN 0.582 nan 8.190 nan 0.000 0.481 4 Y N 3.947 124.183 120.300 -0.107 0.000 2.425 4 Y HA 0.627 5.175 4.550 -0.004 0.000 0.344 4 Y C 0.092 175.769 175.900 -0.371 0.000 0.969 4 Y CA -0.711 57.223 58.100 -0.276 0.000 1.052 4 Y CB 1.899 40.193 38.460 -0.277 0.000 1.215 4 Y HN 0.435 nan 8.280 nan 0.000 0.451 5 I N 3.702 124.082 120.570 -0.317 0.000 2.359 5 I HA 0.264 4.432 4.170 -0.004 0.000 0.294 5 I C -0.442 175.456 176.117 -0.365 0.000 0.987 5 I CA -0.646 60.504 61.300 -0.249 0.000 1.225 5 I CB 0.925 38.813 38.000 -0.186 0.000 1.366 5 I HN 0.598 nan 8.210 nan 0.000 0.466 6 H N 6.391 125.484 119.070 0.037 0.000 2.360 6 H HA 0.242 4.796 4.556 -0.003 0.000 0.233 6 H C -2.232 173.133 175.328 0.062 0.000 1.473 6 H CA -1.609 54.471 56.048 0.052 0.000 1.352 6 H CB 0.137 29.926 29.762 0.045 0.000 1.493 6 H HN 0.358 nan 8.280 nan 0.000 0.533 7 P HA -0.021 nan 4.420 nan 0.000 0.231 7 P C 0.846 178.198 177.300 0.087 0.000 1.811 7 P CA -0.257 62.892 63.100 0.081 0.000 1.051 7 P CB -0.571 31.140 31.700 0.019 0.000 1.951 8 F N 3.105 123.023 119.950 -0.054 0.000 2.120 8 F HA -0.250 4.275 4.527 -0.004 0.000 0.300 8 F C 1.945 177.733 175.800 -0.020 0.000 1.095 8 F CA 1.801 59.752 58.000 -0.082 0.000 1.249 8 F CB -0.343 38.531 39.000 -0.209 0.000 0.995 8 F HN 0.314 nan 8.300 nan 0.000 0.480 9 H N -0.062 119.068 119.070 0.100 0.000 2.545 9 H HA 0.059 4.613 4.556 -0.004 0.000 0.282 9 H C 1.915 177.182 175.328 -0.101 0.000 1.020 9 H CA 1.228 57.289 56.048 0.023 0.000 1.243 9 H CB -0.302 29.518 29.762 0.098 0.000 1.377 9 H HN 0.358 nan 8.280 nan 0.000 0.581 10 L N 0.444 121.630 121.223 -0.061 0.000 2.640 10 L HA 0.185 4.522 4.340 -0.004 0.000 0.230 10 L C 0.583 177.282 176.870 -0.285 0.000 1.123 10 L CA 0.008 54.768 54.840 -0.133 0.000 0.900 10 L CB 0.301 42.325 42.059 -0.058 0.000 1.146 10 L HN -0.014 nan 8.230 nan 0.000 0.484 11 L N -1.297 119.686 121.223 -0.400 0.000 2.454 11 L HA 0.249 4.587 4.340 -0.004 0.000 0.256 11 L C -0.317 176.147 176.870 -0.677 0.000 1.136 11 L CA -0.792 53.787 54.840 -0.435 0.000 0.804 11 L CB 0.237 42.123 42.059 -0.288 0.000 1.181 11 L HN -0.126 nan 8.230 nan 0.000 0.469 12 Y N -0.522 119.584 120.300 -0.323 0.000 2.377 12 Y HA 0.051 4.598 4.550 -0.005 0.000 0.330 12 Y C 0.932 176.653 175.900 -0.299 0.000 1.108 12 Y CA 0.318 58.253 58.100 -0.276 0.000 1.308 12 Y CB 0.434 38.840 38.460 -0.090 0.000 1.216 12 Y HN 0.443 nan 8.280 nan 0.000 0.518 13 H N -0.428 118.697 119.070 0.092 0.000 2.729 13 H HA 0.088 4.642 4.556 -0.004 0.000 0.263 13 H C 0.335 175.719 175.328 0.092 0.000 0.961 13 H CA -0.089 55.987 56.048 0.048 0.000 1.217 13 H CB 0.606 30.363 29.762 -0.008 0.000 1.447 13 H HN 0.490 nan 8.280 nan 0.000 0.496 14 N N 1.612 120.431 118.700 0.199 0.000 2.527 14 N HA 0.008 4.745 4.740 -0.004 0.000 0.236 14 N C 0.670 176.227 175.510 0.079 0.000 0.999 14 N CA -0.049 53.080 53.050 0.131 0.000 0.935 14 N CB 0.982 39.537 38.487 0.114 0.000 1.132 14 N HN 0.202 nan 8.380 nan 0.000 0.511 15 K N 1.875 122.315 120.400 0.066 0.000 2.074 15 K HA -0.189 4.129 4.320 -0.004 0.000 0.209 15 K C 1.813 178.412 176.600 -0.002 0.000 1.048 15 K CA 2.133 58.436 56.287 0.027 0.000 0.926 15 K CB 0.102 32.624 32.500 0.036 0.000 0.713 15 K HN 0.606 nan 8.250 nan 0.000 0.444 16 S N 0.092 115.799 115.700 0.011 0.000 2.365 16 S HA -0.219 4.248 4.470 -0.004 0.000 0.225 16 S C 1.954 176.545 174.600 -0.016 0.000 1.039 16 S CA 1.913 60.113 58.200 0.001 0.000 1.033 16 S CB -1.204 62.004 63.200 0.014 0.000 0.887 16 S HN 0.346 nan 8.310 nan 0.000 0.447 17 T N 3.121 117.670 114.554 -0.008 0.000 2.527 17 T HA -0.258 4.090 4.350 -0.004 0.000 0.258 17 T C 1.727 176.376 174.700 -0.084 0.000 1.175 17 T CA 1.731 63.818 62.100 -0.023 0.000 1.168 17 T CB -1.609 67.267 68.868 0.014 0.000 0.860 17 T HN 0.889 nan 8.240 nan 0.000 0.429 28 T N 0.748 115.301 114.554 -0.002 0.000 3.105 28 T HA 0.425 4.772 4.350 -0.004 0.000 0.321 28 T C -0.440 174.260 174.700 0.000 0.000 1.135 28 T CA -0.439 61.660 62.100 -0.000 0.000 1.053 28 T CB 1.067 69.934 68.868 -0.001 0.000 1.133 28 T HN 0.124 nan 8.240 nan 0.000 0.463 29 L N 5.205 126.430 121.223 0.003 0.000 2.490 29 L HA 0.249 4.587 4.340 -0.004 0.000 0.274 29 L C -1.623 175.248 176.870 0.003 0.000 1.201 29 L CA -1.371 53.470 54.840 0.002 0.000 0.869 29 L CB 0.368 42.429 42.059 0.003 0.000 1.123 29 L HN 0.521 nan 8.230 nan 0.000 0.484 30 P HA 0.016 nan 4.420 nan 0.000 0.266 30 P C -0.367 176.937 177.300 0.006 0.000 1.195 30 P CA -0.109 62.990 63.100 -0.001 0.000 0.768 30 P CB 0.433 32.129 31.700 -0.006 0.000 0.838 31 E N 1.309 121.515 120.200 0.010 0.000 2.354 31 E HA 0.140 4.487 4.350 -0.004 0.000 0.269 31 E C -0.213 176.405 176.600 0.031 0.000 1.036 31 E CA 0.134 56.553 56.400 0.030 0.000 0.876 31 E CB 0.663 30.383 29.700 0.034 0.000 1.009 31 E HN 0.332 nan 8.360 nan 0.000 0.416 32 S N 1.444 117.178 115.700 0.057 0.000 2.584 32 S HA 0.362 4.829 4.470 -0.004 0.000 0.273 32 S C 0.179 174.845 174.600 0.110 0.000 1.311 32 S CA -0.470 57.768 58.200 0.062 0.000 1.034 32 S CB 1.070 64.289 63.200 0.032 0.000 0.939 32 S HN 0.624 nan 8.310 nan 0.000 0.513 33 T N -0.045 114.563 114.554 0.090 0.000 2.883 33 T HA 0.817 5.165 4.350 -0.004 0.000 0.296 33 T C -0.906 173.889 174.700 0.158 0.000 1.117 33 T CA -0.926 61.209 62.100 0.059 0.000 1.006 33 T CB 1.155 69.975 68.868 -0.081 0.000 1.191 33 T HN 0.516 nan 8.240 nan 0.000 0.508 34 F N -1.384 118.576 119.950 0.015 0.000 2.650 34 F HA 0.820 5.345 4.527 -0.003 0.000 0.320 34 F C -0.658 175.146 175.800 0.006 0.000 1.091 34 F CA -1.314 56.694 58.000 0.013 0.000 0.962 34 F CB 1.521 40.540 39.000 0.032 0.000 1.363 34 F HN 0.751 nan 8.300 nan 0.000 0.482 35 E N 2.374 122.659 120.200 0.142 0.000 2.134 35 E HA 0.421 4.769 4.350 -0.004 0.000 0.278 35 E C -2.548 174.204 176.600 0.253 0.000 0.959 35 E CA -2.288 54.148 56.400 0.060 0.000 0.783 35 E CB 1.309 31.042 29.700 0.055 0.000 1.095 35 E HN 0.393 nan 8.360 nan 0.000 0.399 36 P HA -0.047 nan 4.420 nan 0.000 0.269 36 P C -0.487 176.917 177.300 0.174 0.000 1.215 36 P CA -0.341 62.931 63.100 0.286 0.000 0.780 36 P CB 0.440 32.242 31.700 0.171 0.000 0.898 37 V N -0.488 119.515 119.914 0.147 0.000 2.881 37 V HA 0.370 4.487 4.120 -0.004 0.000 0.303 37 V C -2.340 173.792 176.094 0.062 0.000 1.070 37 V CA -2.126 60.230 62.300 0.093 0.000 1.074 37 V CB -0.385 31.487 31.823 0.081 0.000 1.012 37 V HN 0.397 nan 8.190 nan 0.000 0.482 38 P HA 0.199 nan 4.420 nan 0.000 0.269 38 P C 0.962 178.260 177.300 -0.003 0.000 1.215 38 P CA -0.032 63.083 63.100 0.026 0.000 0.780 38 P CB 0.556 32.272 31.700 0.026 0.000 0.898 39 I N 1.279 121.824 120.570 -0.041 0.000 2.399 39 I HA -0.345 3.823 4.170 -0.004 0.000 0.254 39 I C 1.592 177.688 176.117 -0.034 0.000 1.146 39 I CA 1.766 62.984 61.300 -0.136 0.000 1.412 39 I CB 0.047 37.950 38.000 -0.162 0.000 1.076 39 I HN 0.320 nan 8.210 nan 0.000 0.432 40 Q N 1.075 120.883 119.800 0.012 0.000 2.369 40 Q HA 0.164 4.501 4.340 -0.004 0.000 0.206 40 Q C 0.888 176.925 176.000 0.061 0.000 0.963 40 Q CA 0.703 56.532 55.803 0.044 0.000 0.894 40 Q CB -0.357 28.397 28.738 0.026 0.000 0.965 40 Q HN 0.579 nan 8.270 nan 0.000 0.475 41 A N 1.326 124.183 122.820 0.062 0.000 2.561 41 A HA -0.028 4.289 4.320 -0.004 0.000 0.234 41 A C 0.063 177.699 177.584 0.087 0.000 1.055 41 A CA -0.024 52.054 52.037 0.068 0.000 0.756 41 A CB 0.108 19.151 19.000 0.070 0.000 0.986 41 A HN 0.115 nan 8.150 nan 0.000 0.505 42 K N 1.538 121.974 120.400 0.059 0.000 2.412 42 K HA 0.208 4.526 4.320 -0.004 0.000 0.284 42 K C -0.618 176.014 176.600 0.053 0.000 1.046 42 K CA 0.563 56.876 56.287 0.044 0.000 0.999 42 K CB 0.172 32.685 32.500 0.023 0.000 0.941 42 K HN 0.745 nan 8.250 nan 0.000 0.474 43 T N 1.891 116.467 114.554 0.036 0.000 2.848 43 T HA 0.162 4.510 4.350 -0.004 0.000 0.285 43 T C -0.466 174.210 174.700 -0.041 0.000 0.995 43 T CA -0.611 61.508 62.100 0.032 0.000 0.970 43 T CB 1.687 70.591 68.868 0.060 0.000 0.976 43 T HN 0.352 nan 8.240 nan 0.000 0.441 44 S N 3.838 119.532 115.700 -0.009 0.000 2.564 44 S HA 0.328 4.796 4.470 -0.004 0.000 0.278 44 S C -2.012 172.541 174.600 -0.078 0.000 1.333 44 S CA -0.838 57.340 58.200 -0.035 0.000 1.048 44 S CB 0.162 63.361 63.200 -0.002 0.000 0.900 44 S HN 0.461 nan 8.310 nan 0.000 0.505 45 P HA 0.107 nan 4.420 nan 0.000 0.269 45 P C -0.780 176.461 177.300 -0.099 0.000 1.209 45 P CA -0.450 62.538 63.100 -0.186 0.000 0.776 45 P CB 0.308 31.901 31.700 -0.179 0.000 0.876 46 V N 3.151 122.996 119.914 -0.115 0.000 2.617 46 V HA -0.067 4.051 4.120 -0.004 0.000 0.304 46 V C 1.045 177.134 176.094 -0.008 0.000 1.040 46 V CA 0.371 62.663 62.300 -0.013 0.000 1.149 46 V CB -0.375 31.424 31.823 -0.040 0.000 0.914 46 V HN 0.595 nan 8.190 nan 0.000 0.487 47 N N 4.155 122.874 118.700 0.030 0.000 2.437 47 N HA 0.126 4.863 4.740 -0.004 0.000 0.243 47 N C 0.925 176.485 175.510 0.084 0.000 1.041 47 N CA -0.167 52.909 53.050 0.044 0.000 0.940 47 N CB 1.105 39.611 38.487 0.031 0.000 1.133 47 N HN 0.706 nan 8.380 nan 0.000 0.506 48 E N 2.346 122.619 120.200 0.122 0.000 2.204 48 E HA -0.190 4.158 4.350 -0.004 0.000 0.194 48 E C 1.172 177.848 176.600 0.125 0.000 0.989 48 E CA 0.902 57.405 56.400 0.171 0.000 0.824 48 E CB 0.374 30.222 29.700 0.245 0.000 0.756 48 E HN 0.588 nan 8.360 nan 0.000 0.477 49 K N 0.413 120.860 120.400 0.079 0.000 2.116 49 K HA -0.069 4.249 4.320 -0.004 0.000 0.203 49 K C 2.030 178.686 176.600 0.094 0.000 1.052 49 K CA 1.358 57.679 56.287 0.058 0.000 0.952 49 K CB 0.139 32.647 32.500 0.012 0.000 0.729 49 K HN -0.062 nan 8.250 nan 0.000 0.446 50 T N 1.653 116.250 114.554 0.072 0.000 2.746 50 T HA -0.118 4.230 4.350 -0.004 0.000 0.267 50 T C 1.599 176.339 174.700 0.067 0.000 1.039 50 T CA 0.953 63.089 62.100 0.060 0.000 1.142 50 T CB -0.115 68.775 68.868 0.037 0.000 0.866 50 T HN 0.039 nan 8.240 nan 0.000 0.444 51 L N 0.840 122.112 121.223 0.083 0.000 1.994 51 L HA -0.103 4.235 4.340 -0.004 0.000 0.208 51 L C 2.408 179.331 176.870 0.087 0.000 1.071 51 L CA 1.724 56.611 54.840 0.078 0.000 0.745 51 L CB -1.055 41.066 42.059 0.103 0.000 0.892 51 L HN 0.423 nan 8.230 nan 0.000 0.431 52 H N -0.071 119.015 119.070 0.027 0.000 2.267 52 H HA -0.193 4.360 4.556 -0.004 0.000 0.297 52 H C 1.630 176.963 175.328 0.008 0.000 1.080 52 H CA 2.181 58.236 56.048 0.013 0.000 1.278 52 H CB 0.036 29.799 29.762 0.002 0.000 1.365 52 H HN 0.315 nan 8.280 nan 0.000 0.489 53 D N 0.433 120.937 120.400 0.173 0.000 2.221 53 D HA -0.136 4.502 4.640 -0.004 0.000 0.204 53 D C 2.435 178.737 176.300 0.002 0.000 0.982 53 D CA 0.862 54.919 54.000 0.096 0.000 0.857 53 D CB -0.235 40.627 40.800 0.104 0.000 0.934 53 D HN 0.579 nan 8.370 nan 0.000 0.475 54 Q N -0.172 119.627 119.800 -0.002 0.000 1.994 54 Q HA 0.022 4.360 4.340 -0.004 0.000 0.198 54 Q C 2.520 178.494 176.000 -0.043 0.000 0.976 54 Q CA 0.462 56.255 55.803 -0.017 0.000 0.828 54 Q CB -0.138 28.597 28.738 -0.006 0.000 0.894 54 Q HN 0.261 nan 8.270 nan 0.000 0.432 55 L N 0.337 121.523 121.223 -0.061 0.000 2.137 55 L HA -0.242 4.096 4.340 -0.004 0.000 0.213 55 L C 2.328 179.134 176.870 -0.105 0.000 1.085 55 L CA 0.797 55.593 54.840 -0.075 0.000 0.760 55 L CB -0.469 41.538 42.059 -0.085 0.000 0.893 55 L HN 0.128 nan 8.230 nan 0.000 0.434 56 V N -0.223 119.592 119.914 -0.165 0.000 2.453 56 V HA -0.241 3.876 4.120 -0.004 0.000 0.247 56 V C 2.330 178.384 176.094 -0.067 0.000 1.048 56 V CA 1.365 63.576 62.300 -0.148 0.000 1.049 56 V CB -0.148 31.552 31.823 -0.206 0.000 0.672 56 V HN 0.325 nan 8.190 nan 0.000 0.457 57 L N 0.303 121.498 121.223 -0.046 0.000 2.012 57 L HA -0.163 4.174 4.340 -0.004 0.000 0.210 57 L C 2.510 179.368 176.870 -0.020 0.000 1.073 57 L CA 1.771 56.597 54.840 -0.023 0.000 0.748 57 L CB -0.720 41.331 42.059 -0.014 0.000 0.891 57 L HN 0.350 nan 8.230 nan 0.000 0.431 58 A N -0.780 122.026 122.820 -0.022 0.000 2.239 58 A HA 0.168 4.485 4.320 -0.004 0.000 0.209 58 A C 2.026 179.605 177.584 -0.009 0.000 1.171 58 A CA 1.298 53.328 52.037 -0.011 0.000 0.768 58 A CB -0.433 18.564 19.000 -0.005 0.000 0.790 58 A HN 0.424 nan 8.150 nan 0.000 0.478 59 A N -0.260 122.549 122.820 -0.018 0.000 2.358 59 A HA 0.239 4.557 4.320 -0.004 0.000 0.223 59 A C 1.662 179.239 177.584 -0.012 0.000 1.218 59 A CA 0.687 52.716 52.037 -0.013 0.000 0.942 59 A CB -0.063 18.925 19.000 -0.020 0.000 1.005 59 A HN 0.638 nan 8.150 nan 0.000 0.514 60 E N 0.475 120.667 120.200 -0.014 0.000 2.007 60 E HA -0.135 4.212 4.350 -0.004 0.000 0.194 60 E C -0.076 176.521 176.600 -0.004 0.000 0.999 60 E CA 0.823 57.218 56.400 -0.009 0.000 0.811 60 E CB -0.254 29.441 29.700 -0.008 0.000 0.762 60 E HN 0.081 nan 8.360 nan 0.000 0.450 61 K N 1.030 121.428 120.400 -0.004 0.000 2.316 61 K HA 0.469 4.786 4.320 -0.004 0.000 0.267 61 K C -0.873 175.726 176.600 -0.002 0.000 1.025 61 K CA -0.276 56.010 56.287 -0.002 0.000 0.896 61 K CB 1.540 34.039 32.500 -0.001 0.000 1.124 61 K HN 0.208 nan 8.250 nan 0.000 0.451 62 L N 2.048 123.270 121.223 -0.002 0.000 2.482 62 L HA 0.259 4.596 4.340 -0.004 0.000 0.269 62 L C 0.129 176.996 176.870 -0.006 0.000 0.967 62 L CA -0.959 53.879 54.840 -0.003 0.000 0.851 62 L CB 2.134 44.191 42.059 -0.003 0.000 1.242 62 L HN 0.457 nan 8.230 nan 0.000 0.404 63 E N 1.393 121.588 120.200 -0.007 0.000 2.391 63 E HA 0.001 4.349 4.350 -0.004 0.000 0.255 63 E C 0.592 177.181 176.600 -0.018 0.000 1.187 63 E CA 0.109 56.503 56.400 -0.011 0.000 0.941 63 E CB 0.680 30.374 29.700 -0.010 0.000 1.010 63 E HN 0.472 nan 8.360 nan 0.000 0.458 64 D N 0.993 121.380 120.400 -0.021 0.000 2.133 64 D HA -0.179 4.459 4.640 -0.004 0.000 0.195 64 D C 1.313 177.580 176.300 -0.056 0.000 0.997 64 D CA 1.037 55.019 54.000 -0.030 0.000 0.840 64 D CB 0.168 40.952 40.800 -0.026 0.000 0.947 64 D HN 0.427 nan 8.370 nan 0.000 0.452 65 E N 0.838 120.998 120.200 -0.066 0.000 2.097 65 E HA -0.157 4.190 4.350 -0.004 0.000 0.196 65 E C 1.662 178.209 176.600 -0.088 0.000 1.000 65 E CA 0.810 57.145 56.400 -0.109 0.000 0.804 65 E CB -0.199 29.456 29.700 -0.074 0.000 0.740 65 E HN 0.437 nan 8.360 nan 0.000 0.454 66 D N -0.084 120.290 120.400 -0.044 0.000 2.117 66 D HA -0.147 4.491 4.640 -0.004 0.000 0.197 66 D C 2.035 178.323 176.300 -0.020 0.000 0.987 66 D CA 0.815 54.801 54.000 -0.022 0.000 0.829 66 D CB -0.149 40.646 40.800 -0.010 0.000 0.961 66 D HN 0.164 nan 8.370 nan 0.000 0.460 67 R N 0.722 121.207 120.500 -0.025 0.000 2.148 67 R HA -0.009 4.328 4.340 -0.004 0.000 0.223 67 R C 2.284 178.574 176.300 -0.016 0.000 1.088 67 R CA 0.589 56.680 56.100 -0.016 0.000 0.985 67 R CB 0.097 30.389 30.300 -0.013 0.000 0.880 67 R HN 0.125 nan 8.270 nan 0.000 0.451 68 K N 0.358 120.731 120.400 -0.045 0.000 2.057 68 K HA -0.115 4.202 4.320 -0.004 0.000 0.207 68 K C 2.133 178.749 176.600 0.026 0.000 1.049 68 K CA 1.293 57.556 56.287 -0.039 0.000 0.931 68 K CB -0.006 32.371 32.500 -0.206 0.000 0.714 68 K HN 0.093 nan 8.250 nan 0.000 0.440 69 R N 0.168 120.670 120.500 0.004 0.000 2.081 69 R HA -0.074 4.264 4.340 -0.004 0.000 0.235 69 R C 2.343 178.664 176.300 0.035 0.000 1.131 69 R CA 1.266 57.396 56.100 0.050 0.000 0.960 69 R CB -0.295 30.024 30.300 0.032 0.000 0.856 69 R HN 0.176 nan 8.270 nan 0.000 0.436 70 A N 1.070 123.900 122.820 0.017 0.000 1.969 70 A HA -0.053 4.265 4.320 -0.004 0.000 0.218 70 A C 2.307 179.887 177.584 -0.007 0.000 1.169 70 A CA 1.520 53.561 52.037 0.006 0.000 0.635 70 A CB -0.458 18.544 19.000 0.005 0.000 0.810 70 A HN 0.388 nan 8.150 nan 0.000 0.445 71 A N -0.802 122.022 122.820 0.006 0.000 1.930 71 A HA -0.150 4.167 4.320 -0.004 0.000 0.217 71 A C 2.108 179.695 177.584 0.006 0.000 1.175 71 A CA 1.534 53.575 52.037 0.007 0.000 0.627 71 A CB -0.400 18.616 19.000 0.026 0.000 0.815 71 A HN 0.640 nan 8.150 nan 0.000 0.443 72 Q N -1.078 118.740 119.800 0.029 0.000 2.137 72 Q HA -0.016 4.321 4.340 -0.004 0.000 0.198 72 Q C 2.045 178.018 176.000 -0.045 0.000 0.960 72 Q CA 1.097 56.913 55.803 0.023 0.000 0.847 72 Q CB -0.229 28.558 28.738 0.081 0.000 0.915 72 Q HN 0.432 nan 8.270 nan 0.000 0.448 73 V N 0.921 120.806 119.914 -0.049 0.000 2.490 73 V HA -0.265 3.853 4.120 -0.004 0.000 0.250 73 V C 2.063 177.996 176.094 -0.269 0.000 1.061 73 V CA 1.823 64.045 62.300 -0.130 0.000 1.064 73 V CB -0.504 31.308 31.823 -0.019 0.000 0.670 73 V HN 0.415 nan 8.190 nan 0.000 0.461 74 A N -0.728 121.987 122.820 -0.175 0.000 1.902 74 A HA -0.248 4.069 4.320 -0.004 0.000 0.217 74 A C 2.156 179.615 177.584 -0.208 0.000 1.181 74 A CA 2.321 54.239 52.037 -0.198 0.000 0.623 74 A CB -0.463 18.468 19.000 -0.115 0.000 0.818 74 A HN 0.552 nan 8.150 nan 0.000 0.443 75 M N -0.657 118.860 119.600 -0.139 0.000 2.086 75 M HA -0.079 4.399 4.480 -0.004 0.000 0.261 75 M C 2.045 178.263 176.300 -0.136 0.000 1.067 75 M CA 1.646 56.895 55.300 -0.085 0.000 1.116 75 M CB -0.534 32.046 32.600 -0.033 0.000 1.348 75 M HN 0.380 nan 8.290 nan 0.000 0.407 76 I N -0.617 119.806 120.570 -0.246 0.000 2.315 76 I HA -0.233 3.934 4.170 -0.004 0.000 0.248 76 I C 2.314 178.125 176.117 -0.510 0.000 1.117 76 I CA 1.146 62.255 61.300 -0.319 0.000 1.404 76 I CB -0.750 37.055 38.000 -0.326 0.000 1.071 76 I HN 0.306 nan 8.210 nan 0.000 0.419 77 T N 0.853 114.925 114.554 -0.804 0.000 2.674 77 T HA -0.135 4.213 4.350 -0.004 0.000 0.265 77 T C 1.743 176.182 174.700 -0.435 0.000 1.039 77 T CA 1.620 63.254 62.100 -0.777 0.000 1.150 77 T CB -0.314 68.137 68.868 -0.694 0.000 0.864 77 T HN 0.289 nan 8.240 nan 0.000 0.427 78 N N 0.981 119.445 118.700 -0.392 0.000 2.084 78 N HA -0.052 4.686 4.740 -0.004 0.000 0.190 78 N C 1.544 176.775 175.510 -0.465 0.000 1.030 78 N CA 1.007 53.743 53.050 -0.523 0.000 0.849 78 N CB -0.769 37.503 38.487 -0.358 0.000 1.012 78 N HN 0.441 nan 8.380 nan 0.000 0.423 79 F N 1.162 120.976 119.950 -0.226 0.000 2.126 79 F HA -0.151 4.373 4.527 -0.006 0.000 0.299 79 F C 2.272 178.045 175.800 -0.045 0.000 1.096 79 F CA 0.976 58.963 58.000 -0.023 0.000 1.255 79 F CB -0.290 38.699 39.000 -0.018 0.000 0.997 79 F HN -0.142 nan 8.300 nan 0.000 0.479 80 V N 0.411 120.457 119.914 0.220 0.000 2.453 80 V HA -0.116 4.002 4.120 -0.004 0.000 0.247 80 V C 2.510 178.575 176.094 -0.048 0.000 1.048 80 V CA 1.989 64.383 62.300 0.157 0.000 1.049 80 V CB -1.009 30.940 31.823 0.209 0.000 0.672 80 V HN 0.556 nan 8.190 nan 0.000 0.457 81 G N -0.555 108.140 108.800 -0.175 0.000 2.459 81 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.217 81 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.217 81 G C 1.402 176.180 174.900 -0.204 0.000 1.183 81 G CA 1.191 46.140 45.100 -0.251 0.000 0.776 81 G HN 0.479 nan 8.290 nan 0.000 0.552 82 F N 1.062 120.905 119.950 -0.178 0.000 2.120 82 F HA -0.050 4.474 4.527 -0.005 0.000 0.300 82 F C 2.674 178.361 175.800 -0.189 0.000 1.095 82 F CA 1.355 59.250 58.000 -0.175 0.000 1.249 82 F CB -0.713 38.161 39.000 -0.209 0.000 0.995 82 F HN 0.073 nan 8.300 nan 0.000 0.480 83 R N 0.084 120.497 120.500 -0.146 0.000 2.073 83 R HA -0.074 4.263 4.340 -0.004 0.000 0.229 83 R C 1.992 178.247 176.300 -0.075 0.000 1.120 83 R CA 1.388 57.380 56.100 -0.180 0.000 0.967 83 R CB -0.416 29.721 30.300 -0.271 0.000 0.862 83 R HN 0.093 nan 8.270 nan 0.000 0.436 84 M N -0.924 118.641 119.600 -0.059 0.000 2.254 84 M HA -0.074 4.404 4.480 -0.004 0.000 0.265 84 M C 1.766 178.008 176.300 -0.097 0.000 1.066 84 M CA 1.120 56.367 55.300 -0.089 0.000 1.123 84 M CB -0.858 31.685 32.600 -0.094 0.000 1.388 84 M HN 0.139 nan 8.290 nan 0.000 0.425 85 Y N 1.657 121.866 120.300 -0.151 0.000 2.181 85 Y HA -0.238 4.311 4.550 -0.003 0.000 0.288 85 Y C 2.571 178.416 175.900 -0.092 0.000 1.146 85 Y CA 1.963 59.985 58.100 -0.129 0.000 1.164 85 Y CB -0.253 38.154 38.460 -0.089 0.000 0.982 85 Y HN 0.180 nan 8.280 nan 0.000 0.515 86 K N -0.693 119.696 120.400 -0.019 0.000 2.057 86 K HA -0.196 4.121 4.320 -0.004 0.000 0.207 86 K C 1.928 178.439 176.600 -0.148 0.000 1.049 86 K CA 1.715 57.948 56.287 -0.090 0.000 0.931 86 K CB -0.124 32.352 32.500 -0.040 0.000 0.714 86 K HN 0.239 nan 8.250 nan 0.000 0.440 87 M N 0.765 120.284 119.600 -0.135 0.000 2.117 87 M HA -0.159 4.319 4.480 -0.004 0.000 0.262 87 M C 2.235 178.427 176.300 -0.179 0.000 1.065 87 M CA 1.092 56.310 55.300 -0.136 0.000 1.114 87 M CB -1.102 31.427 32.600 -0.118 0.000 1.361 87 M HN 0.214 nan 8.290 nan 0.000 0.408 88 L N 1.429 122.498 121.223 -0.257 0.000 2.013 88 L HA -0.221 4.116 4.340 -0.004 0.000 0.212 88 L C 2.002 178.716 176.870 -0.259 0.000 1.073 88 L CA 1.933 56.599 54.840 -0.292 0.000 0.753 88 L CB -0.989 40.838 42.059 -0.386 0.000 0.890 88 L HN 0.298 nan 8.230 nan 0.000 0.432 89 N N -0.291 118.211 118.700 -0.330 0.000 2.244 89 N HA -0.160 4.578 4.740 -0.004 0.000 0.183 89 N C 1.736 177.153 175.510 -0.155 0.000 1.016 89 N CA 1.310 54.206 53.050 -0.258 0.000 0.866 89 N CB -0.155 38.152 38.487 -0.300 0.000 0.980 89 N HN 0.545 nan 8.380 nan 0.000 0.430 90 E N 0.446 120.565 120.200 -0.136 0.000 2.150 90 E HA -0.025 4.322 4.350 -0.004 0.000 0.193 90 E C 1.612 178.167 176.600 -0.075 0.000 0.985 90 E CA 0.882 57.227 56.400 -0.092 0.000 0.814 90 E CB 0.010 29.661 29.700 -0.081 0.000 0.752 90 E HN 0.342 nan 8.360 nan 0.000 0.466 91 A N 0.859 123.629 122.820 -0.082 0.000 2.072 91 A HA 0.246 4.563 4.320 -0.004 0.000 0.216 91 A C 1.129 178.685 177.584 -0.047 0.000 1.156 91 A CA 0.843 52.846 52.037 -0.057 0.000 0.701 91 A CB -0.215 18.753 19.000 -0.054 0.000 0.816 91 A HN 0.261 nan 8.150 nan 0.000 0.458 92 G N -0.580 108.182 108.800 -0.063 0.000 3.137 92 G HA2 0.133 4.090 3.960 -0.004 0.000 0.686 92 G HA3 0.133 4.090 3.960 -0.004 0.000 0.686 92 G C -0.040 174.842 174.900 -0.029 0.000 0.988 92 G CA 0.238 45.310 45.100 -0.048 0.000 0.789 92 G HN 1.709 nan 8.290 nan 0.000 0.544 93 S N 1.810 117.495 115.700 -0.025 0.000 2.300 93 S HA 0.752 5.219 4.470 -0.004 0.000 0.172 93 S C 0.981 175.594 174.600 0.022 0.000 1.484 93 S CA 0.663 58.867 58.200 0.005 0.000 1.265 93 S CB 0.713 63.917 63.200 0.007 0.000 1.313 93 S HN 2.951 nan 8.310 nan 0.000 0.387 94 G N 0.870 109.682 108.800 0.020 0.000 2.758 94 G HA2 0.241 4.199 3.960 -0.004 0.000 0.686 94 G HA3 0.241 4.199 3.960 -0.004 0.000 0.686 94 G C 0.598 175.511 174.900 0.021 0.000 1.389 94 G CA -0.455 44.660 45.100 0.025 0.000 0.845 94 G HN 1.531 nan 8.290 nan 0.000 0.572 95 A N -0.069 122.764 122.820 0.022 0.000 2.044 95 A HA 0.413 4.730 4.320 -0.004 0.000 0.213 95 A C 2.639 180.238 177.584 0.025 0.000 1.169 95 A CA 2.008 54.058 52.037 0.023 0.000 0.724 95 A CB -0.480 18.534 19.000 0.023 0.000 0.840 95 A HN 2.354 nan 8.150 nan 0.000 0.463 96 S N -1.397 114.315 115.700 0.021 0.000 2.428 96 S HA 0.388 4.855 4.470 -0.004 0.000 0.230 96 S C 1.155 175.765 174.600 0.016 0.000 1.014 96 S CA 1.366 59.572 58.200 0.010 0.000 0.957 96 S CB -0.242 62.961 63.200 0.004 0.000 0.784 96 S HN 1.706 nan 8.310 nan 0.000 0.499 97 G N 0.331 109.150 108.800 0.032 0.000 2.366 97 G HA2 0.477 4.435 3.960 -0.004 0.000 0.190 97 G HA3 0.477 4.435 3.960 -0.004 0.000 0.190 97 G C -1.269 173.667 174.900 0.061 0.000 1.299 97 G CA -0.267 44.859 45.100 0.043 0.000 1.056 97 G HN 1.236 nan 8.290 nan 0.000 0.468 98 A N -0.760 122.121 122.820 0.102 0.000 2.515 98 A HA 0.891 5.208 4.320 -0.004 0.000 0.298 98 A C -1.232 176.491 177.584 0.231 0.000 1.059 98 A CA -0.194 51.922 52.037 0.132 0.000 0.698 98 A CB 1.718 20.746 19.000 0.046 0.000 1.289 98 A HN 1.911 nan 8.150 nan 0.000 0.404 99 I N 1.352 122.086 120.570 0.272 0.000 2.722 99 I HA 0.672 4.840 4.170 -0.004 0.000 0.292 99 I C -2.108 174.218 176.117 0.348 0.000 1.267 99 I CA -0.832 60.655 61.300 0.312 0.000 1.036 99 I CB 1.831 40.049 38.000 0.363 0.000 1.281 99 I HN 0.796 nan 8.210 nan 0.000 0.423 100 L N 5.845 127.246 121.223 0.296 0.000 2.445 100 L HA 0.541 4.878 4.340 -0.004 0.000 0.262 100 L C -1.132 175.831 176.870 0.155 0.000 0.974 100 L CA -0.238 54.776 54.840 0.289 0.000 0.822 100 L CB 2.266 44.459 42.059 0.224 0.000 1.339 100 L HN 0.580 nan 8.230 nan 0.000 0.409 101 S N 4.641 120.414 115.700 0.122 0.000 2.474 101 S HA 0.492 4.959 4.470 -0.004 0.000 0.320 101 S C -2.062 172.463 174.600 -0.126 0.000 1.067 101 S CA -1.440 56.645 58.200 -0.193 0.000 1.127 101 S CB 1.174 64.228 63.200 -0.242 0.000 0.971 101 S HN 0.532 nan 8.310 nan 0.000 0.472 102 P HA -0.011 nan 4.420 nan 0.000 0.215 102 P C -1.673 175.591 177.300 -0.060 0.000 1.153 102 P CA 1.103 64.103 63.100 -0.166 0.000 0.853 102 P CB -0.778 30.729 31.700 -0.321 0.000 0.788 103 P HA -0.163 nan 4.420 nan 0.000 0.216 103 P C 1.428 178.872 177.300 0.240 0.000 1.150 103 P CA 2.038 65.180 63.100 0.071 0.000 0.837 103 P CB -0.605 31.119 31.700 0.040 0.000 0.786 104 A N -0.273 122.668 122.820 0.202 0.000 1.897 104 A HA -0.110 4.208 4.320 -0.004 0.000 0.215 104 A C 2.091 179.837 177.584 0.271 0.000 1.181 104 A CA 1.050 53.297 52.037 0.350 0.000 0.620 104 A CB -1.569 17.587 19.000 0.259 0.000 0.821 104 A HN 0.155 nan 8.150 nan 0.000 0.443 105 L N -1.325 120.016 121.223 0.196 0.000 2.044 105 L HA -0.084 4.254 4.340 -0.004 0.000 0.205 105 L C 2.271 179.202 176.870 0.101 0.000 1.075 105 L CA 2.399 57.346 54.840 0.178 0.000 0.747 105 L CB -0.918 41.265 42.059 0.208 0.000 0.903 105 L HN 0.454 nan 8.230 nan 0.000 0.435 106 F N 1.230 121.151 119.950 -0.049 0.000 2.102 106 F HA -0.117 4.407 4.527 -0.005 0.000 0.298 106 F C 2.300 177.972 175.800 -0.213 0.000 1.105 106 F CA 1.848 59.783 58.000 -0.107 0.000 1.239 106 F CB -0.447 38.490 39.000 -0.105 0.000 0.991 106 F HN 0.160 nan 8.300 nan 0.000 0.474 107 G N -0.679 107.899 108.800 -0.369 0.000 2.440 107 G HA2 -0.277 3.681 3.960 -0.004 0.000 0.218 107 G HA3 -0.277 3.681 3.960 -0.004 0.000 0.218 107 G C 1.580 175.789 174.900 -1.151 0.000 1.154 107 G CA 1.445 45.885 45.100 -1.100 0.000 0.767 107 G HN 0.397 nan 8.290 nan 0.000 0.552 108 T N 1.346 115.543 114.554 -0.595 0.000 2.684 108 T HA -0.057 4.290 4.350 -0.004 0.000 0.267 108 T C 2.409 176.908 174.700 -0.336 0.000 1.036 108 T CA 1.018 62.884 62.100 -0.389 0.000 1.148 108 T CB -0.248 68.581 68.868 -0.064 0.000 0.863 108 T HN 0.148 nan 8.240 nan 0.000 0.436 109 L N 0.678 121.753 121.223 -0.247 0.000 2.083 109 L HA -0.078 4.259 4.340 -0.004 0.000 0.209 109 L C 2.612 179.361 176.870 -0.201 0.000 1.083 109 L CA 0.882 55.628 54.840 -0.157 0.000 0.752 109 L CB -0.520 41.457 42.059 -0.137 0.000 0.899 109 L HN 0.168 nan 8.230 nan 0.000 0.433 110 V N -1.365 118.279 119.914 -0.450 0.000 2.453 110 V HA -0.199 3.918 4.120 -0.004 0.000 0.247 110 V C 2.499 178.486 176.094 -0.177 0.000 1.048 110 V CA 1.573 63.642 62.300 -0.384 0.000 1.049 110 V CB 0.013 31.419 31.823 -0.694 0.000 0.672 110 V HN 0.356 nan 8.190 nan 0.000 0.457 111 S N 0.181 115.705 115.700 -0.294 0.000 2.353 111 S HA -0.199 4.268 4.470 -0.004 0.000 0.222 111 S C 1.797 176.382 174.600 -0.024 0.000 1.035 111 S CA 1.856 59.945 58.200 -0.185 0.000 1.025 111 S CB -0.502 62.534 63.200 -0.272 0.000 0.902 111 S HN 0.503 nan 8.310 nan 0.000 0.440 112 F N 0.528 120.420 119.950 -0.097 0.000 2.120 112 F HA -0.162 4.366 4.527 0.001 0.000 0.300 112 F C 2.259 178.067 175.800 0.013 0.000 1.095 112 F CA 1.433 59.410 58.000 -0.039 0.000 1.249 112 F CB -0.841 38.078 39.000 -0.135 0.000 0.995 112 F HN 0.262 nan 8.300 nan 0.000 0.480 113 Y N 0.356 120.694 120.300 0.064 0.000 2.181 113 Y HA -0.215 4.332 4.550 -0.006 0.000 0.288 113 Y C 2.069 177.976 175.900 0.011 0.000 1.146 113 Y CA 1.481 59.585 58.100 0.006 0.000 1.164 113 Y CB -0.642 37.779 38.460 -0.066 0.000 0.982 113 Y HN 0.020 nan 8.280 nan 0.000 0.515 114 L N -0.395 120.819 121.223 -0.015 0.000 2.191 114 L HA -0.148 4.189 4.340 -0.004 0.000 0.212 114 L C 2.396 179.283 176.870 0.027 0.000 1.103 114 L CA 1.365 56.172 54.840 -0.055 0.000 0.769 114 L CB -0.736 41.339 42.059 0.028 0.000 0.908 114 L HN 0.438 nan 8.230 nan 0.000 0.438 115 G N -1.480 107.352 108.800 0.052 0.000 3.042 115 G HA2 0.011 3.968 3.960 -0.004 0.000 0.212 115 G HA3 0.011 3.968 3.960 -0.004 0.000 0.212 115 G C 0.563 175.364 174.900 -0.165 0.000 1.166 115 G CA 0.477 45.455 45.100 -0.203 0.000 0.767 115 G HN 0.382 nan 8.290 nan 0.000 0.546 116 S N -0.640 114.984 115.700 -0.126 0.000 2.718 116 S HA 0.833 5.300 4.470 -0.004 0.000 0.300 116 S C -0.596 173.925 174.600 -0.130 0.000 1.117 116 S CA -0.731 57.411 58.200 -0.096 0.000 1.002 116 S CB 2.086 65.263 63.200 -0.039 0.000 1.092 116 S HN 0.020 nan 8.310 nan 0.000 0.542 117 L N 0.259 121.431 121.223 -0.083 0.000 2.341 117 L HA 0.519 4.857 4.340 -0.004 0.000 0.254 117 L C -0.814 176.031 176.870 -0.042 0.000 1.040 117 L CA -1.245 53.550 54.840 -0.075 0.000 0.837 117 L CB 1.755 43.779 42.059 -0.059 0.000 1.425 117 L HN 0.623 nan 8.230 nan 0.000 0.414 118 D N 1.993 122.375 120.400 -0.029 0.000 2.449 118 D HA 0.046 4.684 4.640 -0.004 0.000 0.236 118 D C -1.439 174.856 176.300 -0.008 0.000 1.149 118 D CA -0.704 53.291 54.000 -0.008 0.000 0.878 118 D CB 0.913 41.711 40.800 -0.002 0.000 1.198 118 D HN 0.343 nan 8.370 nan 0.000 0.446 119 P HA -0.049 nan 4.420 nan 0.000 0.233 119 P C 0.965 178.274 177.300 0.015 0.000 1.167 119 P CA 0.571 63.675 63.100 0.008 0.000 0.770 119 P CB 0.340 32.043 31.700 0.006 0.000 0.837 120 T N 0.434 114.993 114.554 0.008 0.000 2.746 120 T HA -0.097 4.250 4.350 -0.004 0.000 0.267 120 T C 2.045 176.776 174.700 0.052 0.000 1.039 120 T CA 1.654 63.763 62.100 0.015 0.000 1.142 120 T CB -0.619 68.248 68.868 -0.001 0.000 0.866 120 T HN 0.114 nan 8.240 nan 0.000 0.444 121 A N 2.048 124.894 122.820 0.043 0.000 1.877 121 A HA -0.124 4.193 4.320 -0.004 0.000 0.216 121 A C 2.574 180.295 177.584 0.229 0.000 1.186 121 A CA 2.176 54.274 52.037 0.101 0.000 0.620 121 A CB -0.861 18.105 19.000 -0.056 0.000 0.822 121 A HN 0.603 nan 8.150 nan 0.000 0.443 122 S N -0.613 115.166 115.700 0.131 0.000 2.428 122 S HA -0.151 4.316 4.470 -0.004 0.000 0.230 122 S C 1.857 176.504 174.600 0.077 0.000 1.014 122 S CA 1.153 59.422 58.200 0.115 0.000 0.957 122 S CB -0.345 62.902 63.200 0.077 0.000 0.784 122 S HN 0.679 nan 8.310 nan 0.000 0.499 123 Q N 0.795 120.633 119.800 0.062 0.000 2.123 123 Q HA 0.155 4.492 4.340 -0.004 0.000 0.199 123 Q C 2.092 178.109 176.000 0.030 0.000 0.966 123 Q CA 1.047 56.870 55.803 0.034 0.000 0.845 123 Q CB -0.393 28.357 28.738 0.019 0.000 0.907 123 Q HN 0.517 nan 8.270 nan 0.000 0.439 124 L N 0.263 121.525 121.223 0.064 0.000 2.056 124 L HA -0.231 4.106 4.340 -0.004 0.000 0.207 124 L C 2.612 179.466 176.870 -0.027 0.000 1.078 124 L CA 1.302 56.168 54.840 0.044 0.000 0.749 124 L CB -0.314 41.831 42.059 0.143 0.000 0.901 124 L HN 0.295 nan 8.230 nan 0.000 0.433 125 Q N -0.474 119.313 119.800 -0.022 0.000 2.050 125 Q HA -0.211 4.126 4.340 -0.004 0.000 0.202 125 Q C 2.069 178.025 176.000 -0.073 0.000 0.980 125 Q CA 2.323 58.062 55.803 -0.107 0.000 0.840 125 Q CB -0.015 28.694 28.738 -0.049 0.000 0.898 125 Q HN 0.412 nan 8.270 nan 0.000 0.424 126 T N 1.613 116.149 114.554 -0.029 0.000 2.720 126 T HA -0.193 4.154 4.350 -0.004 0.000 0.268 126 T C 1.672 176.329 174.700 -0.072 0.000 1.037 126 T CA 1.318 63.392 62.100 -0.044 0.000 1.144 126 T CB -0.362 68.499 68.868 -0.011 0.000 0.864 126 T HN 0.286 nan 8.240 nan 0.000 0.444 127 L N 0.810 122.010 121.223 -0.038 0.000 2.079 127 L HA 0.043 4.380 4.340 -0.004 0.000 0.210 127 L C 1.893 178.756 176.870 -0.011 0.000 1.081 127 L CA 1.629 56.463 54.840 -0.010 0.000 0.752 127 L CB -0.579 41.483 42.059 0.006 0.000 0.896 127 L HN 0.272 nan 8.230 nan 0.000 0.433 128 L N -0.811 120.378 121.223 -0.057 0.000 2.599 128 L HA 0.021 4.359 4.340 -0.004 0.000 0.230 128 L C 0.803 177.531 176.870 -0.237 0.000 1.141 128 L CA 0.721 55.526 54.840 -0.058 0.000 0.877 128 L CB -0.373 41.669 42.059 -0.029 0.000 1.009 128 L HN 0.361 nan 8.230 nan 0.000 0.447 129 D N -0.567 119.647 120.400 -0.310 0.000 3.103 129 D HA -0.142 4.496 4.640 -0.004 0.000 0.211 129 D C -0.367 175.713 176.300 -0.366 0.000 1.100 129 D CA 0.368 54.056 54.000 -0.520 0.000 0.961 129 D CB -0.977 39.178 40.800 -1.074 0.000 1.093 129 D HN -0.012 nan 8.370 nan 0.000 0.427 130 V N 0.873 120.662 119.914 -0.210 0.000 2.439 130 V HA 0.518 4.635 4.120 -0.004 0.000 0.282 130 V C -1.774 174.307 176.094 -0.022 0.000 1.039 130 V CA -1.331 60.892 62.300 -0.127 0.000 0.913 130 V CB 1.563 33.322 31.823 -0.105 0.000 0.983 130 V HN -0.029 nan 8.190 nan 0.000 0.460 131 P HA 0.212 nan 4.420 nan 0.000 0.269 131 P C -0.834 176.508 177.300 0.070 0.000 1.209 131 P CA 0.011 63.175 63.100 0.106 0.000 0.776 131 P CB 0.650 32.396 31.700 0.076 0.000 0.876 132 V N 3.776 123.734 119.914 0.074 0.000 2.540 132 V HA 0.300 4.418 4.120 -0.004 0.000 0.302 132 V C 0.038 176.168 176.094 0.061 0.000 1.035 132 V CA -0.628 61.713 62.300 0.068 0.000 0.873 132 V CB 1.834 33.696 31.823 0.066 0.000 0.992 132 V HN 0.407 nan 8.190 nan 0.000 0.428 133 K N 3.558 123.995 120.400 0.061 0.000 2.281 133 K HA 0.441 4.759 4.320 -0.004 0.000 0.272 133 K C -0.414 176.212 176.600 0.044 0.000 1.048 133 K CA -0.492 55.825 56.287 0.049 0.000 0.898 133 K CB 1.326 33.856 32.500 0.049 0.000 1.128 133 K HN 0.654 nan 8.250 nan 0.000 0.460 134 E N 1.080 121.302 120.200 0.036 0.000 2.585 134 E HA 0.003 4.351 4.350 -0.004 0.000 0.252 134 E C 1.098 177.713 176.600 0.024 0.000 0.981 134 E CA 0.887 57.305 56.400 0.029 0.000 0.943 134 E CB 0.229 29.944 29.700 0.024 0.000 0.923 134 E HN 0.879 nan 8.360 nan 0.000 0.486 135 G N 3.335 112.147 108.800 0.021 0.000 2.279 135 G HA2 -0.270 3.687 3.960 -0.004 0.000 0.223 135 G HA3 -0.270 3.687 3.960 -0.004 0.000 0.223 135 G C -0.088 174.822 174.900 0.018 0.000 1.015 135 G CA 0.025 45.134 45.100 0.016 0.000 0.621 135 G HN 0.601 nan 8.290 nan 0.000 0.506 136 D N 0.642 121.060 120.400 0.029 0.000 2.427 136 D HA 0.505 5.143 4.640 -0.004 0.000 0.226 136 D C 1.715 178.043 176.300 0.046 0.000 1.076 136 D CA -0.005 54.018 54.000 0.038 0.000 0.849 136 D CB 0.354 41.184 40.800 0.049 0.000 1.052 136 D HN 0.527 nan 8.370 nan 0.000 0.515 137 c N 2.129 120.743 118.600 0.024 0.000 2.481 137 c HA 0.001 4.568 4.570 -0.004 0.000 0.275 137 c C 2.037 176.170 174.090 0.071 0.000 1.419 137 c CA 0.847 57.182 56.329 0.009 0.000 1.773 137 c CB -1.448 41.007 42.510 -0.091 0.000 1.862 137 c HN 0.668 nan 8.230 nan 0.000 0.530 138 T N -0.480 114.128 114.554 0.091 0.000 3.160 138 T HA -0.004 4.343 4.350 -0.004 0.000 0.257 138 T C 1.498 176.288 174.700 0.150 0.000 1.147 138 T CA 1.287 63.473 62.100 0.143 0.000 1.064 138 T CB -0.630 68.327 68.868 0.148 0.000 0.949 138 T HN 0.777 nan 8.240 nan 0.000 0.526 139 S N 0.180 115.960 115.700 0.133 0.000 2.556 139 S HA 0.257 4.724 4.470 -0.004 0.000 0.216 139 S C 0.785 175.458 174.600 0.122 0.000 0.970 139 S CA -0.834 57.441 58.200 0.126 0.000 0.912 139 S CB -0.088 63.176 63.200 0.107 0.000 0.790 139 S HN 0.246 nan 8.310 nan 0.000 0.504 140 R N 1.345 121.951 120.500 0.175 0.000 2.410 140 R HA 0.410 4.748 4.340 -0.004 0.000 0.288 140 R C -0.163 176.253 176.300 0.194 0.000 1.051 140 R CA -0.608 55.633 56.100 0.235 0.000 1.021 140 R CB 0.594 31.091 30.300 0.328 0.000 1.032 140 R HN 0.354 nan 8.270 nan 0.000 0.481 141 L N 1.990 123.270 121.223 0.095 0.000 2.525 141 L HA -0.069 4.269 4.340 -0.004 0.000 0.278 141 L C 0.871 177.673 176.870 -0.113 0.000 1.218 141 L CA 0.472 55.268 54.840 -0.073 0.000 0.878 141 L CB 0.124 42.035 42.059 -0.246 0.000 1.127 141 L HN 0.400 nan 8.230 nan 0.000 0.492 142 D N 2.489 122.589 120.400 -0.500 0.000 2.396 142 D HA 0.130 4.768 4.640 -0.004 0.000 0.225 142 D C 1.041 177.170 176.300 -0.284 0.000 1.121 142 D CA -0.142 53.375 54.000 -0.805 0.000 0.853 142 D CB 1.793 41.967 40.800 -1.043 0.000 1.043 142 D HN 0.618 nan 8.370 nan 0.000 0.500 143 G N 2.812 111.547 108.800 -0.108 0.000 2.450 143 G HA2 -0.275 3.682 3.960 -0.004 0.000 0.220 143 G HA3 -0.275 3.682 3.960 -0.004 0.000 0.220 143 G C 1.186 175.963 174.900 -0.204 0.000 1.130 143 G CA 0.866 45.901 45.100 -0.107 0.000 0.760 143 G HN 0.629 nan 8.290 nan 0.000 0.557 144 H N 0.063 119.118 119.070 -0.024 0.000 2.357 144 H HA 0.106 4.660 4.556 -0.003 0.000 0.301 144 H C 2.620 177.926 175.328 -0.037 0.000 1.082 144 H CA 1.314 57.348 56.048 -0.023 0.000 1.342 144 H CB 0.127 29.885 29.762 -0.007 0.000 1.389 144 H HN 0.272 nan 8.280 nan 0.000 0.511 145 K N 0.223 120.630 120.400 0.012 0.000 2.097 145 K HA -0.100 4.217 4.320 -0.004 0.000 0.206 145 K C 2.128 178.728 176.600 0.001 0.000 1.049 145 K CA 1.108 57.387 56.287 -0.014 0.000 0.933 145 K CB 0.004 32.452 32.500 -0.086 0.000 0.717 145 K HN 0.064 nan 8.250 nan 0.000 0.442 146 V N 1.798 121.698 119.914 -0.023 0.000 2.270 146 V HA -0.236 3.882 4.120 -0.004 0.000 0.245 146 V C 2.206 178.333 176.094 0.055 0.000 1.043 146 V CA 1.597 63.909 62.300 0.020 0.000 1.014 146 V CB -0.362 31.445 31.823 -0.027 0.000 0.645 146 V HN 0.282 nan 8.190 nan 0.000 0.447 147 L N -0.010 121.224 121.223 0.018 0.000 2.046 147 L HA -0.150 4.188 4.340 -0.004 0.000 0.208 147 L C 2.730 179.659 176.870 0.099 0.000 1.077 147 L CA 1.531 56.406 54.840 0.059 0.000 0.747 147 L CB -0.821 41.269 42.059 0.051 0.000 0.896 147 L HN 0.378 nan 8.230 nan 0.000 0.432 148 A N 0.070 122.940 122.820 0.082 0.000 1.933 148 A HA -0.168 4.149 4.320 -0.004 0.000 0.218 148 A C 2.495 180.118 177.584 0.066 0.000 1.175 148 A CA 1.755 53.835 52.037 0.070 0.000 0.628 148 A CB -0.577 18.457 19.000 0.056 0.000 0.814 148 A HN 0.416 nan 8.150 nan 0.000 0.444 149 A N -0.926 121.934 122.820 0.067 0.000 1.968 149 A HA 0.085 4.403 4.320 -0.004 0.000 0.217 149 A C 2.051 179.685 177.584 0.084 0.000 1.169 149 A CA 1.495 53.569 52.037 0.063 0.000 0.638 149 A CB -0.450 18.583 19.000 0.056 0.000 0.812 149 A HN 0.557 nan 8.150 nan 0.000 0.446 150 L N -0.231 121.068 121.223 0.127 0.000 2.141 150 L HA -0.023 4.314 4.340 -0.004 0.000 0.209 150 L C 2.374 179.338 176.870 0.156 0.000 1.094 150 L CA 1.884 56.823 54.840 0.166 0.000 0.763 150 L CB -0.549 41.660 42.059 0.249 0.000 0.908 150 L HN 0.447 nan 8.230 nan 0.000 0.437 151 R N -0.677 119.904 120.500 0.134 0.000 2.073 151 R HA -0.157 4.180 4.340 -0.004 0.000 0.234 151 R C 2.149 178.494 176.300 0.073 0.000 1.134 151 R CA 1.392 57.554 56.100 0.104 0.000 0.952 151 R CB -0.332 30.016 30.300 0.081 0.000 0.850 151 R HN 0.467 nan 8.270 nan 0.000 0.433 152 A N 0.619 123.476 122.820 0.061 0.000 1.933 152 A HA -0.140 4.177 4.320 -0.004 0.000 0.218 152 A C 2.238 179.852 177.584 0.049 0.000 1.175 152 A CA 1.731 53.793 52.037 0.041 0.000 0.628 152 A CB -0.770 18.247 19.000 0.030 0.000 0.814 152 A HN 0.382 nan 8.150 nan 0.000 0.444 153 V N -2.029 117.928 119.914 0.072 0.000 2.548 153 V HA -0.258 3.859 4.120 -0.004 0.000 0.249 153 V C 2.054 178.249 176.094 0.169 0.000 1.055 153 V CA 2.285 64.645 62.300 0.100 0.000 1.065 153 V CB -1.018 30.847 31.823 0.071 0.000 0.681 153 V HN 0.609 nan 8.190 nan 0.000 0.462 154 Q N 0.955 120.854 119.800 0.164 0.000 2.061 154 Q HA -0.077 4.261 4.340 -0.004 0.000 0.204 154 Q C 2.377 178.398 176.000 0.035 0.000 0.984 154 Q CA 2.027 57.910 55.803 0.132 0.000 0.846 154 Q CB -0.739 28.071 28.738 0.121 0.000 0.902 154 Q HN 0.778 nan 8.270 nan 0.000 0.421 155 G N 0.873 109.684 108.800 0.018 0.000 2.446 155 G HA2 -0.257 3.700 3.960 -0.004 0.000 0.217 155 G HA3 -0.257 3.700 3.960 -0.004 0.000 0.217 155 G C 1.379 176.258 174.900 -0.035 0.000 1.168 155 G CA 0.763 45.844 45.100 -0.031 0.000 0.771 155 G HN 0.196 nan 8.290 nan 0.000 0.551 156 L N -0.241 120.979 121.223 -0.004 0.000 2.083 156 L HA -0.048 4.290 4.340 -0.004 0.000 0.209 156 L C 2.674 179.533 176.870 -0.018 0.000 1.083 156 L CA 0.579 55.415 54.840 -0.006 0.000 0.752 156 L CB -0.459 41.605 42.059 0.009 0.000 0.899 156 L HN 0.237 nan 8.230 nan 0.000 0.433 157 L N 0.335 121.535 121.223 -0.040 0.000 2.081 157 L HA -0.159 4.179 4.340 -0.004 0.000 0.212 157 L C 1.827 178.678 176.870 -0.031 0.000 1.080 157 L CA 1.847 56.624 54.840 -0.105 0.000 0.754 157 L CB -0.286 41.552 42.059 -0.368 0.000 0.893 157 L HN 0.217 nan 8.230 nan 0.000 0.433 158 V N -3.151 116.745 119.914 -0.031 0.000 3.099 158 V HA 0.316 4.433 4.120 -0.004 0.000 0.356 158 V C 0.695 176.814 176.094 0.041 0.000 1.364 158 V CA 0.083 62.388 62.300 0.008 0.000 1.229 158 V CB -1.606 30.211 31.823 -0.011 0.000 1.227 158 V HN 0.480 nan 8.190 nan 0.000 0.493 168 P HA 0.480 nan 4.420 nan 0.000 0.258 168 P C -1.075 176.107 177.300 -0.196 0.000 1.214 168 P CA 0.027 63.027 63.100 -0.166 0.000 0.872 168 P CB 0.358 31.971 31.700 -0.145 0.000 0.890 169 L N 5.478 126.581 121.223 -0.200 0.000 2.301 169 L HA 0.374 4.711 4.340 -0.004 0.000 0.278 169 L C -0.938 175.803 176.870 -0.214 0.000 1.022 169 L CA -0.408 54.300 54.840 -0.219 0.000 0.854 169 L CB 0.545 42.545 42.059 -0.099 0.000 1.226 169 L HN 0.228 nan 8.230 nan 0.000 0.429 170 L N 4.602 125.595 121.223 -0.383 0.000 2.346 170 L HA 0.603 4.941 4.340 -0.004 0.000 0.276 170 L C -0.423 176.235 176.870 -0.354 0.000 1.006 170 L CA -0.499 54.181 54.840 -0.267 0.000 0.817 170 L CB 1.924 43.824 42.059 -0.265 0.000 1.272 170 L HN 0.569 nan 8.230 nan 0.000 0.421 171 Q N 2.004 121.763 119.800 -0.069 0.000 2.274 171 Q HA 0.444 4.781 4.340 -0.004 0.000 0.268 171 Q C -1.637 174.437 176.000 0.123 0.000 1.015 171 Q CA -0.327 55.514 55.803 0.062 0.000 0.775 171 Q CB 2.466 31.364 28.738 0.267 0.000 1.256 171 Q HN 0.669 nan 8.270 nan 0.000 0.442 172 S N 4.235 120.030 115.700 0.159 0.000 2.519 172 S HA 0.590 5.057 4.470 -0.004 0.000 0.309 172 S C -0.429 174.371 174.600 0.335 0.000 1.100 172 S CA -0.513 57.857 58.200 0.283 0.000 1.059 172 S CB 0.858 64.357 63.200 0.497 0.000 1.008 172 S HN 0.515 nan 8.310 nan 0.000 0.478 173 I N 3.104 123.812 120.570 0.230 0.000 2.362 173 I HA 0.465 4.632 4.170 -0.004 0.000 0.289 173 I C -0.787 175.416 176.117 0.144 0.000 0.994 173 I CA -0.789 60.610 61.300 0.165 0.000 1.158 173 I CB 1.602 39.554 38.000 -0.081 0.000 1.315 173 I HN 0.238 nan 8.210 nan 0.000 0.451 174 V N 7.131 127.214 119.914 0.283 0.000 2.555 174 V HA 0.456 4.574 4.120 -0.004 0.000 0.302 174 V C -0.199 176.058 176.094 0.272 0.000 1.038 174 V CA -0.696 61.751 62.300 0.245 0.000 0.887 174 V CB 2.475 34.447 31.823 0.247 0.000 0.991 174 V HN 0.380 nan 8.190 nan 0.000 0.434 175 V N 3.080 123.081 119.914 0.145 0.000 2.448 175 V HA 0.725 4.842 4.120 -0.004 0.000 0.295 175 V C 0.534 176.676 176.094 0.080 0.000 1.025 175 V CA -0.366 61.981 62.300 0.077 0.000 0.859 175 V CB 1.865 33.603 31.823 -0.142 0.000 0.988 175 V HN 0.980 nan 8.190 nan 0.000 0.431 176 G N 4.205 113.077 108.800 0.121 0.000 2.384 176 G HA2 0.584 4.541 3.960 -0.004 0.000 0.316 176 G HA3 0.584 4.541 3.960 -0.004 0.000 0.316 176 G C -1.245 173.218 174.900 -0.728 0.000 1.160 176 G CA -0.390 44.580 45.100 -0.218 0.000 0.936 176 G HN 0.545 nan 8.290 nan 0.000 0.455 177 L N 3.463 124.150 121.223 -0.892 0.000 2.318 177 L HA 0.688 5.026 4.340 -0.004 0.000 0.277 177 L C -1.486 175.026 176.870 -0.596 0.000 1.008 177 L CA -1.216 53.263 54.840 -0.601 0.000 0.846 177 L CB 0.310 42.146 42.059 -0.372 0.000 1.220 177 L HN 0.322 nan 8.230 nan 0.000 0.423 178 F N 2.962 122.918 119.950 0.008 0.000 2.426 178 F HA 0.691 5.215 4.527 -0.005 0.000 0.348 178 F C 0.727 176.514 175.800 -0.020 0.000 1.124 178 F CA -0.517 57.475 58.000 -0.014 0.000 1.008 178 F CB 1.813 40.804 39.000 -0.014 0.000 1.139 178 F HN 0.510 nan 8.300 nan 0.000 0.452 179 T N -0.197 114.429 114.554 0.119 0.000 2.924 179 T HA 0.876 5.224 4.350 -0.004 0.000 0.291 179 T C -0.225 174.506 174.700 0.053 0.000 1.045 179 T CA -1.059 61.057 62.100 0.027 0.000 1.015 179 T CB 1.791 70.715 68.868 0.093 0.000 1.103 179 T HN 0.728 nan 8.240 nan 0.000 0.496 180 A N 2.095 124.920 122.820 0.009 0.000 2.351 180 A HA 0.649 4.966 4.320 -0.004 0.000 0.257 180 A C -2.425 175.220 177.584 0.101 0.000 1.087 180 A CA -1.607 50.457 52.037 0.046 0.000 0.798 180 A CB -0.858 18.154 19.000 0.020 0.000 1.033 180 A HN 0.698 nan 8.150 nan 0.000 0.488 181 P HA 0.217 nan 4.420 nan 0.000 0.264 181 P C 1.070 178.424 177.300 0.089 0.000 1.183 181 P CA 1.959 65.103 63.100 0.074 0.000 0.763 181 P CB 0.568 32.297 31.700 0.049 0.000 0.807 182 G N 2.418 111.265 108.800 0.079 0.000 2.253 182 G HA2 -0.304 3.654 3.960 -0.004 0.000 0.251 182 G HA3 -0.304 3.654 3.960 -0.004 0.000 0.251 182 G C 0.108 175.048 174.900 0.066 0.000 0.998 182 G CA -0.319 44.816 45.100 0.058 0.000 0.621 182 G HN 0.546 nan 8.290 nan 0.000 0.524 183 F N 3.573 123.509 119.950 -0.023 0.000 2.541 183 F HA 0.587 5.113 4.527 -0.003 0.000 0.378 183 F C 0.989 176.740 175.800 -0.082 0.000 1.068 183 F CA -0.283 57.693 58.000 -0.041 0.000 1.199 183 F CB 0.434 39.418 39.000 -0.027 0.000 1.091 183 F HN 0.115 nan 8.300 nan 0.000 0.555 184 R N 7.063 127.144 120.500 -0.699 0.000 2.338 184 R HA 0.466 4.803 4.340 -0.004 0.000 0.317 184 R C -0.971 174.918 176.300 -0.684 0.000 0.968 184 R CA -0.943 54.838 56.100 -0.532 0.000 0.849 184 R CB 1.456 31.545 30.300 -0.351 0.000 1.128 184 R HN 0.658 nan 8.270 nan 0.000 0.448 185 L N 2.933 123.801 121.223 -0.592 0.000 2.371 185 L HA 0.282 4.619 4.340 -0.004 0.000 0.272 185 L C 0.338 177.027 176.870 -0.301 0.000 1.124 185 L CA -0.335 54.249 54.840 -0.427 0.000 0.816 185 L CB 0.826 42.579 42.059 -0.510 0.000 1.129 185 L HN 0.360 nan 8.230 nan 0.000 0.448 186 K N 1.968 122.334 120.400 -0.058 0.000 2.322 186 K HA 0.039 4.357 4.320 -0.004 0.000 0.283 186 K C 1.064 177.798 176.600 0.223 0.000 1.042 186 K CA -0.314 56.016 56.287 0.072 0.000 0.958 186 K CB 0.799 33.341 32.500 0.069 0.000 0.984 186 K HN 0.536 nan 8.250 nan 0.000 0.473 187 H N 2.379 121.565 119.070 0.193 0.000 2.321 187 H HA -0.199 4.355 4.556 -0.004 0.000 0.295 187 H C 1.469 176.903 175.328 0.177 0.000 1.102 187 H CA 2.694 58.879 56.048 0.229 0.000 1.266 187 H CB 0.346 30.200 29.762 0.155 0.000 1.363 187 H HN 0.713 nan 8.280 nan 0.000 0.492 188 S N 0.023 115.758 115.700 0.059 0.000 2.402 188 S HA -0.152 4.315 4.470 -0.004 0.000 0.229 188 S C 2.154 176.797 174.600 0.072 0.000 1.021 188 S CA 0.926 59.131 58.200 0.008 0.000 0.974 188 S CB -0.995 62.283 63.200 0.130 0.000 0.800 188 S HN 0.420 nan 8.310 nan 0.000 0.484 189 F N 2.865 122.813 119.950 -0.003 0.000 2.102 189 F HA -0.029 4.496 4.527 -0.003 0.000 0.298 189 F C 2.239 178.045 175.800 0.010 0.000 1.105 189 F CA 1.167 59.174 58.000 0.012 0.000 1.239 189 F CB -0.676 38.332 39.000 0.013 0.000 0.991 189 F HN 0.076 nan 8.300 nan 0.000 0.474 190 V N -0.117 119.742 119.914 -0.092 0.000 2.667 190 V HA -0.250 3.867 4.120 -0.004 0.000 0.252 190 V C 2.234 178.198 176.094 -0.217 0.000 1.065 190 V CA 1.858 64.049 62.300 -0.180 0.000 1.083 190 V CB -0.567 31.337 31.823 0.136 0.000 0.692 190 V HN 0.360 nan 8.190 nan 0.000 0.468 191 Q N -0.073 119.577 119.800 -0.249 0.000 2.172 191 Q HA -0.118 4.219 4.340 -0.004 0.000 0.200 191 Q C 2.361 178.294 176.000 -0.113 0.000 0.964 191 Q CA 1.747 57.416 55.803 -0.223 0.000 0.855 191 Q CB -0.136 28.399 28.738 -0.339 0.000 0.918 191 Q HN 0.617 nan 8.270 nan 0.000 0.444 192 S N 0.033 115.694 115.700 -0.066 0.000 2.368 192 S HA -0.126 4.342 4.470 -0.004 0.000 0.225 192 S C 1.572 176.137 174.600 -0.058 0.000 1.030 192 S CA 0.972 59.199 58.200 0.045 0.000 0.999 192 S CB -0.254 63.001 63.200 0.090 0.000 0.844 192 S HN 0.271 nan 8.310 nan 0.000 0.459 193 L N 1.613 122.705 121.223 -0.219 0.000 2.191 193 L HA -0.013 4.325 4.340 -0.004 0.000 0.212 193 L C 2.488 179.344 176.870 -0.022 0.000 1.103 193 L CA 1.294 56.050 54.840 -0.140 0.000 0.769 193 L CB -1.085 40.800 42.059 -0.291 0.000 0.908 193 L HN 0.316 nan 8.230 nan 0.000 0.438 194 A N -1.034 121.742 122.820 -0.072 0.000 2.015 194 A HA -0.128 4.190 4.320 -0.004 0.000 0.219 194 A C 2.278 179.858 177.584 -0.007 0.000 1.163 194 A CA 1.226 53.225 52.037 -0.063 0.000 0.646 194 A CB -0.614 18.333 19.000 -0.088 0.000 0.806 194 A HN 0.399 nan 8.150 nan 0.000 0.448 195 L N -1.875 119.372 121.223 0.040 0.000 2.141 195 L HA -0.127 4.211 4.340 -0.004 0.000 0.209 195 L C 2.409 179.372 176.870 0.156 0.000 1.094 195 L CA 1.140 56.029 54.840 0.082 0.000 0.763 195 L CB -0.482 41.639 42.059 0.104 0.000 0.908 195 L HN 0.497 nan 8.230 nan 0.000 0.437 196 F N 0.049 119.995 119.950 -0.007 0.000 2.084 196 F HA -0.069 4.456 4.527 -0.004 0.000 0.296 196 F C 1.186 177.007 175.800 0.034 0.000 1.111 196 F CA 1.322 59.333 58.000 0.019 0.000 1.224 196 F CB -0.103 38.912 39.000 0.025 0.000 0.991 196 F HN -0.047 nan 8.300 nan 0.000 0.471 197 T N 0.455 114.930 114.554 -0.133 0.000 3.041 197 T HA 0.335 4.682 4.350 -0.004 0.000 0.321 197 T C -2.312 172.305 174.700 -0.140 0.000 1.184 197 T CA -1.331 60.644 62.100 -0.209 0.000 1.050 197 T CB 1.773 70.418 68.868 -0.372 0.000 1.159 197 T HN -0.173 nan 8.240 nan 0.000 0.469 198 P HA 0.185 nan 4.420 nan 0.000 0.226 198 P C 0.275 177.450 177.300 -0.209 0.000 1.153 198 P CA 0.188 63.209 63.100 -0.130 0.000 0.777 198 P CB -0.048 31.599 31.700 -0.089 0.000 0.794 199 A N 0.853 123.555 122.820 -0.196 0.000 2.922 199 A HA 0.389 4.706 4.320 -0.004 0.000 0.298 199 A C -0.339 176.995 177.584 -0.417 0.000 1.588 199 A CA -0.206 51.665 52.037 -0.276 0.000 1.288 199 A CB -1.308 17.668 19.000 -0.041 0.000 1.130 199 A HN 0.196 nan 8.150 nan 0.000 0.557 200 L N 2.040 122.844 121.223 -0.699 0.000 2.376 200 L HA 0.777 5.114 4.340 -0.004 0.000 0.275 200 L C -1.675 174.753 176.870 -0.736 0.000 0.987 200 L CA -0.386 54.139 54.840 -0.526 0.000 0.828 200 L CB 1.064 42.924 42.059 -0.331 0.000 1.249 200 L HN 0.361 nan 8.230 nan 0.000 0.409 201 F N 6.156 126.054 119.950 -0.086 0.000 2.451 201 F HA 0.510 5.034 4.527 -0.005 0.000 0.367 201 F C -2.191 173.486 175.800 -0.204 0.000 1.100 201 F CA -2.018 55.958 58.000 -0.040 0.000 1.171 201 F CB 0.974 40.094 39.000 0.200 0.000 1.405 201 F HN 0.371 nan 8.300 nan 0.000 0.482 202 P HA 0.305 nan 4.420 nan 0.000 0.282 202 P C -0.402 176.884 177.300 -0.024 0.000 1.274 202 P CA -0.285 62.783 63.100 -0.053 0.000 0.770 202 P CB 0.882 32.660 31.700 0.129 0.000 0.867 203 R N 1.433 121.858 120.500 -0.124 0.000 2.651 203 R HA 0.531 4.868 4.340 -0.004 0.000 0.278 203 R C -0.364 175.969 176.300 0.055 0.000 1.010 203 R CA -0.738 55.330 56.100 -0.052 0.000 0.896 203 R CB 2.012 32.195 30.300 -0.195 0.000 1.211 203 R HN 0.505 nan 8.270 nan 0.000 0.456 204 S N 2.683 118.419 115.700 0.060 0.000 2.525 204 S HA 0.860 5.327 4.470 -0.004 0.000 0.290 204 S C 0.049 174.681 174.600 0.054 0.000 1.152 204 S CA -0.685 57.561 58.200 0.077 0.000 1.072 204 S CB 1.084 64.329 63.200 0.074 0.000 1.027 204 S HN 0.556 nan 8.310 nan 0.000 0.500 205 L N -0.677 120.578 121.223 0.053 0.000 2.622 205 L HA 0.662 5.000 4.340 -0.004 0.000 0.258 205 L C -1.405 175.475 176.870 0.016 0.000 0.996 205 L CA -1.049 53.801 54.840 0.017 0.000 0.858 205 L CB 1.519 43.567 42.059 -0.020 0.000 1.449 205 L HN 0.543 nan 8.230 nan 0.000 0.411 206 D N 1.408 121.812 120.400 0.006 0.000 2.363 206 D HA 0.233 4.870 4.640 -0.004 0.000 0.263 206 D C 0.454 176.752 176.300 -0.004 0.000 1.258 206 D CA 0.367 54.370 54.000 0.005 0.000 0.907 206 D CB 1.050 41.852 40.800 0.003 0.000 1.107 206 D HN 0.681 nan 8.370 nan 0.000 0.495 207 L N 2.581 123.804 121.223 0.001 0.000 2.298 207 L HA 0.002 4.339 4.340 -0.004 0.000 0.209 207 L C 1.864 178.732 176.870 -0.003 0.000 1.084 207 L CA 0.384 55.222 54.840 -0.004 0.000 0.816 207 L CB -0.067 41.992 42.059 0.000 0.000 0.967 207 L HN 0.391 nan 8.230 nan 0.000 0.460 208 S N -1.659 114.041 115.700 0.001 0.000 2.677 208 S HA 0.062 4.529 4.470 -0.004 0.000 0.246 208 S C 1.013 175.614 174.600 0.002 0.000 1.005 208 S CA 0.303 58.504 58.200 0.002 0.000 1.062 208 S CB -0.401 62.802 63.200 0.005 0.000 0.778 208 S HN 0.469 nan 8.310 nan 0.000 0.461 209 T N -3.630 110.924 114.554 -0.001 0.000 3.098 209 T HA 0.281 4.629 4.350 -0.004 0.000 0.256 209 T C -0.252 174.446 174.700 -0.003 0.000 0.921 209 T CA 0.083 62.182 62.100 -0.001 0.000 0.916 209 T CB 0.285 69.153 68.868 0.000 0.000 1.246 209 T HN 0.286 nan 8.240 nan 0.000 0.511 210 D N 1.754 122.151 120.400 -0.006 0.000 2.527 210 D HA 0.371 5.008 4.640 -0.004 0.000 0.242 210 D C -2.334 173.959 176.300 -0.011 0.000 1.285 210 D CA -1.814 52.182 54.000 -0.007 0.000 0.886 210 D CB 1.772 42.568 40.800 -0.008 0.000 1.402 210 D HN -0.099 nan 8.370 nan 0.000 0.528 211 P HA -0.175 nan 4.420 nan 0.000 0.216 211 P C 1.689 178.981 177.300 -0.014 0.000 1.154 211 P CA 0.661 63.755 63.100 -0.010 0.000 0.865 211 P CB 0.539 32.237 31.700 -0.003 0.000 0.789 212 V N -0.913 118.995 119.914 -0.010 0.000 2.343 212 V HA -0.199 3.918 4.120 -0.004 0.000 0.247 212 V C 2.418 178.501 176.094 -0.017 0.000 1.051 212 V CA 1.529 63.823 62.300 -0.010 0.000 1.036 212 V CB -1.075 30.745 31.823 -0.005 0.000 0.654 212 V HN 0.046 nan 8.190 nan 0.000 0.451 213 L N 0.433 121.644 121.223 -0.019 0.000 2.156 213 L HA 0.038 4.376 4.340 -0.004 0.000 0.208 213 L C 2.425 179.271 176.870 -0.040 0.000 1.095 213 L CA 2.019 56.844 54.840 -0.024 0.000 0.770 213 L CB -0.739 41.309 42.059 -0.019 0.000 0.914 213 L HN 0.214 nan 8.230 nan 0.000 0.439 214 A N -1.385 121.408 122.820 -0.044 0.000 1.908 214 A HA -0.233 4.084 4.320 -0.004 0.000 0.218 214 A C 2.295 179.817 177.584 -0.103 0.000 1.181 214 A CA 2.436 54.430 52.037 -0.071 0.000 0.627 214 A CB -1.187 17.779 19.000 -0.057 0.000 0.818 214 A HN 0.480 nan 8.150 nan 0.000 0.445 215 T N -0.737 113.775 114.554 -0.070 0.000 2.857 215 T HA -0.089 4.259 4.350 -0.004 0.000 0.266 215 T C 1.806 176.469 174.700 -0.060 0.000 1.048 215 T CA 1.399 63.459 62.100 -0.067 0.000 1.139 215 T CB -0.169 68.684 68.868 -0.025 0.000 0.874 215 T HN 0.635 nan 8.240 nan 0.000 0.455 216 E N 0.886 121.059 120.200 -0.045 0.000 2.058 216 E HA -0.153 4.195 4.350 -0.004 0.000 0.194 216 E C 2.291 178.863 176.600 -0.047 0.000 0.997 216 E CA 1.088 57.467 56.400 -0.036 0.000 0.801 216 E CB 0.032 29.717 29.700 -0.025 0.000 0.746 216 E HN 0.413 nan 8.360 nan 0.000 0.450 217 K N 0.164 120.525 120.400 -0.065 0.000 2.026 217 K HA -0.153 4.164 4.320 -0.004 0.000 0.208 217 K C 2.173 178.716 176.600 -0.094 0.000 1.048 217 K CA 1.201 57.446 56.287 -0.070 0.000 0.929 217 K CB -0.162 32.288 32.500 -0.084 0.000 0.713 217 K HN 0.151 nan 8.250 nan 0.000 0.439 218 I N 1.702 122.144 120.570 -0.213 0.000 2.226 218 I HA -0.293 3.874 4.170 -0.004 0.000 0.245 218 I C 1.808 177.871 176.117 -0.090 0.000 1.100 218 I CA 1.062 62.160 61.300 -0.336 0.000 1.374 218 I CB -0.324 37.327 38.000 -0.583 0.000 1.057 218 I HN 0.166 nan 8.210 nan 0.000 0.413 219 N N 0.636 119.300 118.700 -0.060 0.000 2.084 219 N HA -0.203 4.534 4.740 -0.004 0.000 0.190 219 N C 1.887 177.367 175.510 -0.049 0.000 1.030 219 N CA 1.173 54.208 53.050 -0.026 0.000 0.849 219 N CB -0.476 38.010 38.487 -0.002 0.000 1.012 219 N HN 0.298 nan 8.380 nan 0.000 0.423 220 R N -0.177 120.302 120.500 -0.035 0.000 2.081 220 R HA -0.108 4.230 4.340 -0.004 0.000 0.235 220 R C 2.128 178.395 176.300 -0.055 0.000 1.131 220 R CA 0.942 57.016 56.100 -0.044 0.000 0.960 220 R CB -0.455 29.832 30.300 -0.022 0.000 0.856 220 R HN 0.212 nan 8.270 nan 0.000 0.436 221 F N 1.403 121.263 119.950 -0.150 0.000 2.069 221 F HA -0.259 4.265 4.527 -0.004 0.000 0.298 221 F C 1.987 177.636 175.800 -0.251 0.000 1.113 221 F CA 1.499 59.399 58.000 -0.166 0.000 1.214 221 F CB -0.243 38.698 39.000 -0.099 0.000 0.978 221 F HN -0.042 nan 8.300 nan 0.000 0.474 222 I N 0.868 121.265 120.570 -0.290 0.000 2.179 222 I HA -0.271 3.897 4.170 -0.004 0.000 0.242 222 I C 2.490 178.280 176.117 -0.544 0.000 1.088 222 I CA 1.387 62.359 61.300 -0.547 0.000 1.357 222 I CB -1.448 36.199 38.000 -0.588 0.000 1.051 222 I HN 0.228 nan 8.210 nan 0.000 0.409 223 K N 1.429 121.626 120.400 -0.339 0.000 2.074 223 K HA -0.193 4.125 4.320 -0.004 0.000 0.209 223 K C 2.047 178.440 176.600 -0.346 0.000 1.048 223 K CA 1.872 57.997 56.287 -0.271 0.000 0.926 223 K CB -0.053 32.357 32.500 -0.149 0.000 0.713 223 K HN 0.289 nan 8.250 nan 0.000 0.444 224 A N 0.797 123.390 122.820 -0.378 0.000 1.897 224 A HA -0.099 4.218 4.320 -0.004 0.000 0.215 224 A C 2.223 179.512 177.584 -0.491 0.000 1.181 224 A CA 1.757 53.573 52.037 -0.368 0.000 0.620 224 A CB -0.609 18.215 19.000 -0.293 0.000 0.821 224 A HN 0.263 nan 8.150 nan 0.000 0.443 225 V N -2.076 117.384 119.914 -0.756 0.000 3.041 225 V HA -0.059 4.058 4.120 -0.004 0.000 0.260 225 V C 2.015 177.699 176.094 -0.685 0.000 1.105 225 V CA 2.272 64.093 62.300 -0.798 0.000 1.125 225 V CB -1.182 29.856 31.823 -1.309 0.000 0.730 225 V HN 0.672 nan 8.190 nan 0.000 0.479 226 T N -3.965 110.122 114.554 -0.778 0.000 3.018 226 T HA 0.402 4.750 4.350 -0.004 0.000 0.246 226 T C 1.865 176.095 174.700 -0.783 0.000 1.026 226 T CA 1.088 62.551 62.100 -1.062 0.000 1.081 226 T CB 0.264 68.027 68.868 -1.842 0.000 0.970 226 T HN 1.529 nan 8.240 nan 0.000 0.475 227 G N 0.920 109.442 108.800 -0.463 0.000 2.168 227 G HA2 -0.197 3.761 3.960 -0.004 0.000 0.263 227 G HA3 -0.197 3.761 3.960 -0.004 0.000 0.263 227 G C -0.147 174.739 174.900 -0.024 0.000 0.977 227 G CA 0.104 45.084 45.100 -0.200 0.000 0.659 227 G HN 0.529 nan 8.290 nan 0.000 0.533 228 W N 0.938 122.121 121.300 -0.195 0.000 2.287 228 W HA 0.556 5.213 4.660 -0.005 0.000 0.313 228 W C 0.737 177.170 176.519 -0.143 0.000 1.267 228 W CA -1.686 55.527 57.345 -0.220 0.000 1.201 228 W CB 0.562 29.863 29.460 -0.265 0.000 1.196 228 W HN 0.109 nan 8.180 nan 0.000 0.536 229 K N 3.898 124.359 120.400 0.102 0.000 2.206 229 K HA 0.226 4.543 4.320 -0.004 0.000 0.268 229 K C 0.664 177.305 176.600 0.067 0.000 1.111 229 K CA 0.016 56.336 56.287 0.055 0.000 0.955 229 K CB 0.004 32.519 32.500 0.026 0.000 1.406 229 K HN 0.521 nan 8.250 nan 0.000 0.427 230 M N 1.705 121.361 119.600 0.095 0.000 2.367 230 M HA 0.049 4.526 4.480 -0.004 0.000 0.256 230 M C -0.377 175.986 176.300 0.106 0.000 1.091 230 M CA -0.090 55.285 55.300 0.125 0.000 1.049 230 M CB 0.352 33.078 32.600 0.211 0.000 1.406 230 M HN 0.547 nan 8.290 nan 0.000 0.498 231 N N 2.374 121.121 118.700 0.078 0.000 2.671 231 N HA -0.133 4.604 4.740 -0.004 0.000 0.261 231 N C -1.151 174.413 175.510 0.089 0.000 1.053 231 N CA 0.607 53.699 53.050 0.069 0.000 0.732 231 N CB -1.733 36.789 38.487 0.058 0.000 0.887 231 N HN 0.349 nan 8.380 nan 0.000 0.546 232 L N 0.725 122.009 121.223 0.101 0.000 2.417 232 L HA 0.371 4.709 4.340 -0.004 0.000 0.268 232 L C -1.113 175.809 176.870 0.088 0.000 1.158 232 L CA -1.465 53.450 54.840 0.126 0.000 0.819 232 L CB 0.125 42.285 42.059 0.167 0.000 1.112 232 L HN 0.101 nan 8.230 nan 0.000 0.458 233 P HA 0.040 nan 4.420 nan 0.000 0.269 233 P C 0.076 177.406 177.300 0.050 0.000 1.215 233 P CA -0.046 63.091 63.100 0.063 0.000 0.780 233 P CB 0.795 32.533 31.700 0.063 0.000 0.898 234 L N -0.595 120.650 121.223 0.037 0.000 2.664 234 L HA 0.220 4.557 4.340 -0.004 0.000 0.233 234 L C 1.360 178.242 176.870 0.019 0.000 1.113 234 L CA 0.012 54.867 54.840 0.024 0.000 0.896 234 L CB -0.215 41.856 42.059 0.020 0.000 1.163 234 L HN 0.419 nan 8.230 nan 0.000 0.497 235 E N 1.252 121.466 120.200 0.024 0.000 2.413 235 E HA 0.164 4.512 4.350 -0.004 0.000 0.263 235 E C 0.402 177.011 176.600 0.016 0.000 1.015 235 E CA -0.031 56.381 56.400 0.020 0.000 0.916 235 E CB 0.854 30.570 29.700 0.026 0.000 0.947 235 E HN 0.189 nan 8.360 nan 0.000 0.440 236 G N 1.869 110.675 108.800 0.010 0.000 2.569 236 G HA2 0.246 4.204 3.960 -0.004 0.000 0.249 236 G HA3 0.246 4.204 3.960 -0.004 0.000 0.249 236 G C -0.430 174.476 174.900 0.009 0.000 1.216 236 G CA -0.675 44.428 45.100 0.005 0.000 0.845 236 G HN 0.422 nan 8.290 nan 0.000 0.568 237 V N 1.203 121.120 119.914 0.005 0.000 2.530 237 V HA 0.164 4.281 4.120 -0.004 0.000 0.282 237 V C 0.771 176.870 176.094 0.008 0.000 1.048 237 V CA -0.629 61.677 62.300 0.011 0.000 0.997 237 V CB 0.982 32.808 31.823 0.005 0.000 0.987 237 V HN 0.880 nan 8.190 nan 0.000 0.477 238 S N 2.564 118.270 115.700 0.011 0.000 2.563 238 S HA -0.070 4.397 4.470 -0.004 0.000 0.294 238 S C 1.341 175.943 174.600 0.004 0.000 1.279 238 S CA 0.311 58.516 58.200 0.007 0.000 1.069 238 S CB 0.564 63.769 63.200 0.007 0.000 0.828 238 S HN 0.900 nan 8.310 nan 0.000 0.497 239 T N 1.256 115.812 114.554 0.002 0.000 2.946 239 T HA -0.146 4.202 4.350 -0.004 0.000 0.271 239 T C 0.889 175.590 174.700 0.000 0.000 1.104 239 T CA 1.642 63.743 62.100 0.001 0.000 1.114 239 T CB -0.682 68.187 68.868 0.001 0.000 0.867 239 T HN 0.886 nan 8.240 nan 0.000 0.513 240 D N -0.310 120.090 120.400 -0.001 0.000 2.388 240 D HA 0.189 4.827 4.640 -0.004 0.000 0.221 240 D C 0.203 176.497 176.300 -0.010 0.000 1.133 240 D CA -0.272 53.727 54.000 -0.003 0.000 0.831 240 D CB -0.095 40.704 40.800 -0.001 0.000 0.962 240 D HN 0.086 nan 8.370 nan 0.000 0.502 241 S N -0.203 115.491 115.700 -0.010 0.000 2.549 241 S HA 0.301 4.768 4.470 -0.004 0.000 0.279 241 S C 1.208 175.781 174.600 -0.045 0.000 1.321 241 S CA 0.022 58.211 58.200 -0.018 0.000 1.054 241 S CB 1.289 64.491 63.200 0.003 0.000 0.899 241 S HN 0.503 nan 8.310 nan 0.000 0.497 242 T N -0.408 114.084 114.554 -0.104 0.000 3.003 242 T HA 0.319 4.667 4.350 -0.004 0.000 0.261 242 T C -0.053 174.460 174.700 -0.312 0.000 1.003 242 T CA -0.239 61.739 62.100 -0.204 0.000 0.917 242 T CB 0.078 68.777 68.868 -0.282 0.000 1.084 242 T HN 0.376 nan 8.240 nan 0.000 0.522 243 L N 1.854 122.967 121.223 -0.182 0.000 2.516 243 L HA 0.616 4.954 4.340 -0.004 0.000 0.267 243 L C -1.985 174.942 176.870 0.095 0.000 0.957 243 L CA -1.222 53.555 54.840 -0.104 0.000 0.860 243 L CB 1.682 43.630 42.059 -0.187 0.000 1.265 243 L HN 0.230 nan 8.230 nan 0.000 0.403 244 L N 5.030 126.362 121.223 0.183 0.000 2.346 244 L HA 0.567 4.904 4.340 -0.004 0.000 0.274 244 L C -1.114 175.973 176.870 0.362 0.000 1.007 244 L CA -0.591 54.426 54.840 0.294 0.000 0.818 244 L CB 2.389 44.639 42.059 0.318 0.000 1.284 244 L HN 0.602 nan 8.230 nan 0.000 0.424 245 F N 2.890 123.001 119.950 0.267 0.000 2.646 245 F HA 0.457 4.982 4.527 -0.004 0.000 0.364 245 F C -0.747 175.187 175.800 0.223 0.000 1.137 245 F CA -0.643 57.492 58.000 0.226 0.000 1.085 245 F CB 0.829 39.973 39.000 0.240 0.000 1.331 245 F HN 0.447 nan 8.300 nan 0.000 0.472 246 N N 3.191 122.072 118.700 0.301 0.000 2.372 246 N HA 0.411 5.149 4.740 -0.004 0.000 0.291 246 N C -1.047 174.498 175.510 0.059 0.000 1.024 246 N CA -0.506 52.657 53.050 0.189 0.000 0.873 246 N CB 2.215 40.854 38.487 0.255 0.000 1.206 246 N HN 0.335 nan 8.380 nan 0.000 0.486 247 T N 2.113 116.623 114.554 -0.072 0.000 2.792 247 T HA 0.459 4.806 4.350 -0.004 0.000 0.280 247 T C -0.878 173.732 174.700 -0.151 0.000 0.990 247 T CA -0.314 61.834 62.100 0.081 0.000 0.960 247 T CB 0.278 69.352 68.868 0.344 0.000 0.939 247 T HN 0.232 nan 8.240 nan 0.000 0.439 248 Y N 1.369 121.836 120.300 0.279 0.000 2.350 248 Y HA 0.600 5.148 4.550 -0.003 0.000 0.338 248 Y C -0.201 175.958 175.900 0.432 0.000 0.961 248 Y CA -1.132 57.178 58.100 0.350 0.000 1.100 248 Y CB 1.507 40.205 38.460 0.397 0.000 1.179 248 Y HN 0.299 nan 8.280 nan 0.000 0.454 249 V N 3.365 123.556 119.914 0.462 0.000 2.487 249 V HA 0.304 4.422 4.120 -0.004 0.000 0.298 249 V C -0.746 175.430 176.094 0.136 0.000 1.028 249 V CA -0.820 61.683 62.300 0.340 0.000 0.860 249 V CB 1.529 33.563 31.823 0.351 0.000 0.991 249 V HN 0.812 nan 8.190 nan 0.000 0.427 250 H N 4.694 123.595 119.070 -0.283 0.000 2.646 250 H HA 0.493 5.046 4.556 -0.004 0.000 0.328 250 H C -1.918 173.309 175.328 -0.168 0.000 0.998 250 H CA -0.597 55.089 56.048 -0.604 0.000 1.225 250 H CB 1.429 30.157 29.762 -1.724 0.000 1.457 250 H HN 0.611 nan 8.280 nan 0.000 0.505 251 F N 4.570 124.278 119.950 -0.404 0.000 2.458 251 F HA 0.310 4.834 4.527 -0.004 0.000 0.336 251 F C -0.912 174.549 175.800 -0.566 0.000 1.114 251 F CA -0.434 57.332 58.000 -0.390 0.000 0.987 251 F CB 1.619 40.414 39.000 -0.341 0.000 1.130 251 F HN 0.546 nan 8.300 nan 0.000 0.458 252 Q N 4.393 123.497 119.800 -1.159 0.000 2.275 252 Q HA 0.571 4.909 4.340 -0.004 0.000 0.266 252 Q C -1.204 174.307 176.000 -0.814 0.000 1.002 252 Q CA -0.773 54.545 55.803 -0.808 0.000 0.761 252 Q CB 1.917 30.281 28.738 -0.623 0.000 1.255 252 Q HN 0.982 nan 8.270 nan 0.000 0.446 253 G N 1.476 109.974 108.800 -0.503 0.000 2.519 253 G HA2 0.620 4.578 3.960 -0.004 0.000 0.307 253 G HA3 0.620 4.578 3.960 -0.004 0.000 0.307 253 G C -0.966 173.836 174.900 -0.163 0.000 1.266 253 G CA -0.337 44.587 45.100 -0.293 0.000 0.970 253 G HN 0.439 nan 8.290 nan 0.000 0.481 254 T N 2.714 117.196 114.554 -0.121 0.000 2.824 254 T HA 0.410 4.758 4.350 -0.004 0.000 0.280 254 T C 0.376 175.036 174.700 -0.067 0.000 0.995 254 T CA -0.529 61.523 62.100 -0.079 0.000 1.009 254 T CB 1.337 70.171 68.868 -0.056 0.000 0.955 254 T HN 0.312 nan 8.240 nan 0.000 0.452 255 M N 3.004 122.553 119.600 -0.086 0.000 2.261 255 M HA 0.284 4.761 4.480 -0.004 0.000 0.349 255 M C 0.364 176.737 176.300 0.123 0.000 1.305 255 M CA -0.645 54.576 55.300 -0.132 0.000 1.240 255 M CB -0.143 32.148 32.600 -0.515 0.000 1.394 255 M HN 0.518 nan 8.290 nan 0.000 0.438 256 R N 2.268 122.857 120.500 0.147 0.000 2.549 256 R HA 0.153 4.490 4.340 -0.004 0.000 0.336 256 R C 1.054 177.544 176.300 0.317 0.000 0.891 256 R CA 1.825 58.039 56.100 0.190 0.000 1.102 256 R CB -0.464 29.927 30.300 0.151 0.000 0.899 256 R HN 0.975 nan 8.270 nan 0.000 0.407 257 G N 3.092 112.033 108.800 0.236 0.000 2.176 257 G HA2 -0.290 3.668 3.960 -0.004 0.000 0.253 257 G HA3 -0.290 3.668 3.960 -0.004 0.000 0.253 257 G C -0.058 174.932 174.900 0.150 0.000 0.979 257 G CA 0.051 45.252 45.100 0.169 0.000 0.641 257 G HN 0.523 nan 8.290 nan 0.000 0.530 258 F N 1.932 121.917 119.950 0.058 0.000 2.385 258 F HA 0.611 5.136 4.527 -0.004 0.000 0.336 258 F C 0.993 176.808 175.800 0.026 0.000 1.100 258 F CA 0.093 58.120 58.000 0.045 0.000 1.116 258 F CB 1.905 40.927 39.000 0.036 0.000 1.166 258 F HN 0.265 nan 8.300 nan 0.000 0.511 259 S N 1.442 117.236 115.700 0.157 0.000 2.627 259 S HA 0.385 4.853 4.470 -0.004 0.000 0.283 259 S C -1.029 173.627 174.600 0.093 0.000 1.127 259 S CA -1.177 57.084 58.200 0.102 0.000 0.863 259 S CB 1.736 64.969 63.200 0.054 0.000 1.121 259 S HN 0.664 nan 8.310 nan 0.000 0.479 260 Q N 0.751 120.596 119.800 0.076 0.000 2.337 260 Q HA 0.391 4.728 4.340 -0.004 0.000 0.270 260 Q C -1.014 175.029 176.000 0.072 0.000 1.002 260 Q CA -0.289 55.558 55.803 0.074 0.000 0.888 260 Q CB 0.372 29.147 28.738 0.062 0.000 1.222 260 Q HN 0.673 nan 8.270 nan 0.000 0.400 261 L N 5.611 126.890 121.223 0.094 0.000 2.399 261 L HA 0.412 4.750 4.340 -0.004 0.000 0.266 261 L C -1.992 174.980 176.870 0.170 0.000 1.114 261 L CA -2.377 52.535 54.840 0.119 0.000 0.804 261 L CB 0.899 43.017 42.059 0.099 0.000 1.146 261 L HN 0.642 nan 8.230 nan 0.000 0.451 262 P HA 0.115 nan 4.420 nan 0.000 0.267 262 P C 0.405 177.744 177.300 0.064 0.000 1.205 262 P CA 0.655 63.812 63.100 0.096 0.000 0.765 262 P CB 0.715 32.458 31.700 0.071 0.000 0.828 263 G N 2.092 110.888 108.800 -0.006 0.000 2.527 263 G HA2 -0.107 3.851 3.960 -0.004 0.000 0.268 263 G HA3 -0.107 3.851 3.960 -0.004 0.000 0.268 263 G C -0.375 174.423 174.900 -0.170 0.000 1.175 263 G CA 0.166 45.207 45.100 -0.098 0.000 0.962 263 G HN 0.813 nan 8.290 nan 0.000 0.560 264 V N -2.952 116.733 119.914 -0.382 0.000 3.159 264 V HA 0.940 5.058 4.120 -0.004 0.000 0.308 264 V C -0.575 175.134 176.094 -0.642 0.000 1.190 264 V CA -0.858 61.238 62.300 -0.339 0.000 1.037 264 V CB 2.107 33.851 31.823 -0.132 0.000 1.060 264 V HN 1.411 nan 8.190 nan 0.000 0.437 265 H N -0.248 118.843 119.070 0.036 0.000 2.974 265 H HA 0.464 5.017 4.556 -0.004 0.000 0.366 265 H C -1.075 174.288 175.328 0.059 0.000 1.155 265 H CA -0.585 55.493 56.048 0.051 0.000 1.186 265 H CB 2.424 32.229 29.762 0.072 0.000 1.799 265 H HN 0.854 nan 8.280 nan 0.000 0.541 266 E N 1.744 122.028 120.200 0.139 0.000 2.417 266 E HA 0.055 4.403 4.350 -0.004 0.000 0.261 266 E C -0.980 175.686 176.600 0.111 0.000 1.000 266 E CA 0.338 56.746 56.400 0.013 0.000 0.919 266 E CB 0.653 30.305 29.700 -0.079 0.000 0.955 266 E HN 0.230 nan 8.360 nan 0.000 0.455 267 F N 4.271 124.170 119.950 -0.086 0.000 2.477 267 F HA 0.305 4.829 4.527 -0.005 0.000 0.335 267 F C -1.233 174.524 175.800 -0.071 0.000 1.130 267 F CA -0.908 57.110 58.000 0.030 0.000 0.948 267 F CB 0.751 39.799 39.000 0.081 0.000 1.154 267 F HN 0.418 nan 8.300 nan 0.000 0.439 268 W N 6.597 127.717 121.300 -0.300 0.000 2.345 268 W HA 0.384 5.041 4.660 -0.005 0.000 0.308 268 W C 0.562 177.049 176.519 -0.053 0.000 1.273 268 W CA -0.463 56.803 57.345 -0.132 0.000 1.243 268 W CB 1.011 30.371 29.460 -0.167 0.000 1.260 268 W HN 0.329 nan 8.180 nan 0.000 0.509 269 V N 2.353 122.418 119.914 0.251 0.000 2.446 269 V HA -0.133 3.985 4.120 -0.004 0.000 0.244 269 V C 0.525 176.736 176.094 0.194 0.000 1.039 269 V CA 1.990 64.442 62.300 0.253 0.000 1.045 269 V CB -0.475 31.462 31.823 0.189 0.000 0.681 269 V HN 0.666 nan 8.190 nan 0.000 0.459 270 D N -3.551 116.972 120.400 0.204 0.000 2.958 270 D HA 0.145 4.782 4.640 -0.004 0.000 0.306 270 D C 0.461 176.904 176.300 0.238 0.000 1.226 270 D CA -0.635 53.465 54.000 0.165 0.000 1.032 270 D CB -0.284 40.581 40.800 0.108 0.000 1.400 270 D HN -0.253 nan 8.370 nan 0.000 0.587 271 N N -0.868 117.911 118.700 0.132 0.000 2.520 271 N HA -0.037 4.701 4.740 -0.004 0.000 0.185 271 N C 0.534 176.182 175.510 0.229 0.000 1.068 271 N CA 0.787 53.885 53.050 0.079 0.000 0.911 271 N CB 0.038 38.512 38.487 -0.021 0.000 0.961 271 N HN 0.303 nan 8.380 nan 0.000 0.446 272 S N -0.373 115.498 115.700 0.285 0.000 2.559 272 S HA 0.339 4.806 4.470 -0.004 0.000 0.226 272 S C 0.549 175.300 174.600 0.252 0.000 1.030 272 S CA -0.274 58.093 58.200 0.277 0.000 0.956 272 S CB 1.411 64.696 63.200 0.142 0.000 0.900 272 S HN 0.078 nan 8.310 nan 0.000 0.510 273 I N 2.158 122.862 120.570 0.223 0.000 2.465 273 I HA 0.418 4.586 4.170 -0.004 0.000 0.291 273 I C -0.305 175.745 176.117 -0.112 0.000 1.014 273 I CA -0.402 60.922 61.300 0.040 0.000 1.093 273 I CB 2.166 40.198 38.000 0.053 0.000 1.267 273 I HN 0.100 nan 8.210 nan 0.000 0.431 274 S N 5.747 121.248 115.700 -0.332 0.000 2.638 274 S HA 0.885 5.353 4.470 -0.004 0.000 0.302 274 S C -0.697 173.780 174.600 -0.206 0.000 1.096 274 S CA -0.666 57.250 58.200 -0.473 0.000 0.953 274 S CB 2.185 64.758 63.200 -1.045 0.000 1.107 274 S HN 0.505 nan 8.310 nan 0.000 0.503 275 V N -0.903 118.949 119.914 -0.103 0.000 2.656 275 V HA 0.768 4.886 4.120 -0.004 0.000 0.307 275 V C -0.347 175.734 176.094 -0.021 0.000 1.051 275 V CA -0.689 61.588 62.300 -0.039 0.000 0.893 275 V CB 1.446 33.276 31.823 0.012 0.000 0.999 275 V HN 0.859 nan 8.190 nan 0.000 0.426 276 S N 3.283 118.961 115.700 -0.036 0.000 2.430 276 S HA 0.713 5.180 4.470 -0.004 0.000 0.289 276 S C -0.064 174.535 174.600 -0.002 0.000 1.143 276 S CA -0.346 57.842 58.200 -0.020 0.000 1.067 276 S CB 0.864 64.032 63.200 -0.054 0.000 0.964 276 S HN 1.408 nan 8.310 nan 0.000 0.485 277 V N 1.910 121.848 119.914 0.039 0.000 3.074 277 V HA 0.791 4.909 4.120 -0.004 0.000 0.314 277 V C -2.830 173.308 176.094 0.074 0.000 1.117 277 V CA -3.039 59.282 62.300 0.034 0.000 1.014 277 V CB 1.712 33.540 31.823 0.009 0.000 1.057 277 V HN 0.512 nan 8.190 nan 0.000 0.438 278 P HA 0.343 nan 4.420 nan 0.000 0.276 278 P C -1.012 176.361 177.300 0.123 0.000 1.235 278 P CA -0.021 63.137 63.100 0.098 0.000 0.772 278 P CB 0.856 32.586 31.700 0.051 0.000 0.871 279 M N 3.831 123.542 119.600 0.186 0.000 2.508 279 M HA 0.499 4.977 4.480 -0.004 0.000 0.327 279 M C 0.544 176.902 176.300 0.097 0.000 1.160 279 M CA -1.010 54.364 55.300 0.123 0.000 0.980 279 M CB 1.735 34.378 32.600 0.071 0.000 1.693 279 M HN 0.336 nan 8.290 nan 0.000 0.452 280 I N -1.352 119.276 120.570 0.097 0.000 2.707 280 I HA 0.855 5.023 4.170 -0.004 0.000 0.309 280 I C -0.364 175.866 176.117 0.188 0.000 1.001 280 I CA -0.503 60.882 61.300 0.142 0.000 1.129 280 I CB 2.133 40.232 38.000 0.165 0.000 1.308 280 I HN 0.633 nan 8.210 nan 0.000 0.466 281 S N 1.703 117.511 115.700 0.180 0.000 2.537 281 S HA 0.890 5.357 4.470 -0.004 0.000 0.270 281 S C -0.754 173.661 174.600 -0.308 0.000 1.142 281 S CA -0.139 58.076 58.200 0.025 0.000 0.870 281 S CB 1.836 65.008 63.200 -0.048 0.000 1.112 281 S HN 1.332 nan 8.310 nan 0.000 0.466 282 G N 1.295 109.616 108.800 -0.799 0.000 2.667 282 G HA2 0.551 4.509 3.960 -0.004 0.000 0.294 282 G HA3 0.551 4.509 3.960 -0.004 0.000 0.294 282 G C -1.587 172.895 174.900 -0.697 0.000 1.467 282 G CA -0.422 43.995 45.100 -1.139 0.000 0.852 282 G HN 0.659 nan 8.290 nan 0.000 0.521 283 T N 0.241 114.545 114.554 -0.416 0.000 2.786 283 T HA 0.787 5.135 4.350 -0.004 0.000 0.283 283 T C 0.312 174.817 174.700 -0.325 0.000 0.992 283 T CA 0.118 62.055 62.100 -0.270 0.000 0.954 283 T CB 1.477 70.228 68.868 -0.195 0.000 0.934 283 T HN 1.186 nan 8.240 nan 0.000 0.440 284 G N 1.828 110.258 108.800 -0.616 0.000 2.687 284 G HA2 0.454 4.411 3.960 -0.004 0.000 0.291 284 G HA3 0.454 4.411 3.960 -0.004 0.000 0.291 284 G C -1.228 173.052 174.900 -1.034 0.000 1.420 284 G CA -0.819 43.728 45.100 -0.922 0.000 0.796 284 G HN 0.456 nan 8.290 nan 0.000 0.485 285 N N 0.736 119.031 118.700 -0.675 0.000 2.555 285 N HA 0.383 5.120 4.740 -0.004 0.000 0.244 285 N C -0.964 174.412 175.510 -0.223 0.000 1.114 285 N CA 0.182 53.015 53.050 -0.363 0.000 0.963 285 N CB -0.078 38.334 38.487 -0.126 0.000 1.276 285 N HN 0.297 nan 8.380 nan 0.000 0.510 286 F N -0.145 119.873 119.950 0.114 0.000 2.557 286 F HA 0.415 4.940 4.527 -0.004 0.000 0.336 286 F C 0.905 176.814 175.800 0.182 0.000 1.058 286 F CA -1.240 56.851 58.000 0.152 0.000 0.988 286 F CB 1.479 40.576 39.000 0.161 0.000 1.275 286 F HN -0.034 nan 8.300 nan 0.000 0.488 287 Q N 0.236 120.311 119.800 0.459 0.000 2.230 287 Q HA 0.413 4.751 4.340 -0.004 0.000 0.253 287 Q C -1.463 174.832 176.000 0.492 0.000 0.919 287 Q CA -0.675 55.389 55.803 0.434 0.000 0.908 287 Q CB 2.148 31.151 28.738 0.441 0.000 1.245 287 Q HN 0.564 nan 8.270 nan 0.000 0.437 288 H N 1.453 120.752 119.070 0.382 0.000 3.087 288 H HA 0.480 5.033 4.556 -0.004 0.000 0.348 288 H C -2.105 173.436 175.328 0.355 0.000 1.092 288 H CA -0.731 55.451 56.048 0.222 0.000 1.285 288 H CB 0.824 30.671 29.762 0.142 0.000 1.875 288 H HN 0.708 nan 8.280 nan 0.000 0.512 289 W N 2.627 123.689 121.300 -0.396 0.000 3.083 289 W HA 0.710 5.367 4.660 -0.005 0.000 0.333 289 W C -1.530 174.757 176.519 -0.387 0.000 1.217 289 W CA -1.212 55.962 57.345 -0.287 0.000 1.170 289 W CB 1.208 30.610 29.460 -0.096 0.000 1.437 289 W HN 0.589 nan 8.180 nan 0.000 0.557 290 S N 1.414 117.057 115.700 -0.095 0.000 2.462 290 S HA 0.160 4.628 4.470 -0.004 0.000 0.294 290 S C -0.809 173.746 174.600 -0.075 0.000 1.144 290 S CA -0.524 57.582 58.200 -0.157 0.000 1.088 290 S CB 0.447 63.610 63.200 -0.061 0.000 1.009 290 S HN 0.526 nan 8.310 nan 0.000 0.484 291 D N 4.272 124.475 120.400 -0.329 0.000 2.339 291 D HA 0.315 4.953 4.640 -0.004 0.000 0.241 291 D C 0.980 177.093 176.300 -0.313 0.000 1.183 291 D CA -0.228 53.532 54.000 -0.400 0.000 0.859 291 D CB 1.479 41.599 40.800 -1.133 0.000 1.067 291 D HN 0.616 nan 8.370 nan 0.000 0.484 292 A N 4.100 126.828 122.820 -0.154 0.000 1.930 292 A HA -0.219 4.099 4.320 -0.004 0.000 0.217 292 A C 1.965 179.485 177.584 -0.107 0.000 1.175 292 A CA 1.258 53.229 52.037 -0.111 0.000 0.627 292 A CB -0.284 18.679 19.000 -0.061 0.000 0.815 292 A HN 0.596 nan 8.150 nan 0.000 0.443 293 Q N 0.352 120.093 119.800 -0.098 0.000 2.084 293 Q HA -0.090 4.247 4.340 -0.004 0.000 0.202 293 Q C 1.196 177.168 176.000 -0.048 0.000 0.978 293 Q CA 2.082 57.852 55.803 -0.055 0.000 0.844 293 Q CB -0.135 28.588 28.738 -0.024 0.000 0.898 293 Q HN 0.649 nan 8.270 nan 0.000 0.426 294 N N -0.434 118.222 118.700 -0.075 0.000 2.184 294 N HA 0.041 4.779 4.740 -0.004 0.000 0.206 294 N C -0.570 174.950 175.510 0.017 0.000 1.151 294 N CA 0.346 53.409 53.050 0.021 0.000 0.878 294 N CB 0.621 39.236 38.487 0.213 0.000 1.014 294 N HN 0.211 nan 8.380 nan 0.000 0.512 295 N N 0.703 119.327 118.700 -0.126 0.000 2.780 295 N HA -0.188 4.549 4.740 -0.004 0.000 0.247 295 N C -1.249 174.289 175.510 0.048 0.000 1.076 295 N CA 0.405 53.408 53.050 -0.078 0.000 0.688 295 N CB -1.722 36.720 38.487 -0.075 0.000 0.957 295 N HN 0.379 nan 8.380 nan 0.000 0.551 296 F N -1.739 118.181 119.950 -0.049 0.000 2.620 296 F HA 0.865 5.390 4.527 -0.003 0.000 0.320 296 F C 0.244 175.966 175.800 -0.130 0.000 1.069 296 F CA -0.564 57.384 58.000 -0.086 0.000 0.953 296 F CB 1.216 40.122 39.000 -0.157 0.000 1.322 296 F HN 0.081 nan 8.300 nan 0.000 0.479 297 S N 0.506 116.238 115.700 0.054 0.000 2.634 297 S HA 0.918 5.386 4.470 -0.004 0.000 0.296 297 S C -1.525 172.919 174.600 -0.259 0.000 1.104 297 S CA -0.720 57.350 58.200 -0.217 0.000 0.920 297 S CB 1.806 64.894 63.200 -0.186 0.000 1.111 297 S HN 0.834 nan 8.310 nan 0.000 0.493 298 V N 1.021 120.510 119.914 -0.708 0.000 2.841 298 V HA 0.728 4.846 4.120 -0.004 0.000 0.310 298 V C -0.687 175.023 176.094 -0.640 0.000 1.090 298 V CA -0.549 61.330 62.300 -0.703 0.000 0.930 298 V CB 2.114 33.294 31.823 -1.073 0.000 1.014 298 V HN 1.097 nan 8.190 nan 0.000 0.425 299 T N 2.132 116.562 114.554 -0.207 0.000 2.886 299 T HA 0.493 4.840 4.350 -0.004 0.000 0.292 299 T C -0.759 173.963 174.700 0.037 0.000 1.012 299 T CA -0.383 61.736 62.100 0.032 0.000 0.982 299 T CB 1.348 70.299 68.868 0.139 0.000 1.018 299 T HN 0.740 nan 8.240 nan 0.000 0.451 300 C N 2.904 122.283 119.300 0.132 0.000 2.345 300 C HA 0.815 5.273 4.460 -0.004 0.000 0.323 300 C C 0.298 175.315 174.990 0.045 0.000 1.276 300 C CA -0.981 58.128 59.018 0.151 0.000 1.543 300 C CB 0.321 28.240 27.740 0.297 0.000 2.211 300 C HN 0.816 nan 8.230 nan 0.000 0.493 301 V N 4.765 124.621 119.914 -0.096 0.000 2.495 301 V HA 0.695 4.812 4.120 -0.004 0.000 0.298 301 V C -2.836 173.245 176.094 -0.022 0.000 1.031 301 V CA -2.030 60.105 62.300 -0.275 0.000 0.871 301 V CB 2.088 33.459 31.823 -0.753 0.000 0.988 301 V HN 0.762 nan 8.190 nan 0.000 0.432 302 P HA 0.370 nan 4.420 nan 0.000 0.276 302 P C 0.390 177.742 177.300 0.087 0.000 1.230 302 P CA -0.098 63.078 63.100 0.127 0.000 0.776 302 P CB 1.093 32.897 31.700 0.173 0.000 0.888 303 L N 0.925 122.202 121.223 0.089 0.000 2.388 303 L HA 0.329 4.666 4.340 -0.004 0.000 0.209 303 L C 1.367 178.280 176.870 0.071 0.000 1.061 303 L CA 0.757 55.643 54.840 0.076 0.000 0.834 303 L CB -0.210 41.925 42.059 0.126 0.000 1.029 303 L HN 0.536 nan 8.230 nan 0.000 0.473 304 G N -0.371 108.478 108.800 0.081 0.000 3.107 304 G HA2 0.174 4.132 3.960 -0.004 0.000 0.233 304 G HA3 0.174 4.132 3.960 -0.004 0.000 0.233 304 G C 0.158 175.101 174.900 0.072 0.000 1.168 304 G CA 0.245 45.385 45.100 0.067 0.000 0.801 304 G HN 0.160 nan 8.290 nan 0.000 0.605 305 E N -0.570 119.665 120.200 0.059 0.000 2.230 305 E HA 0.115 4.463 4.350 -0.004 0.000 0.192 305 E C 1.933 178.562 176.600 0.050 0.000 0.987 305 E CA 0.555 56.988 56.400 0.055 0.000 0.841 305 E CB 0.212 29.938 29.700 0.044 0.000 0.783 305 E HN 0.330 nan 8.360 nan 0.000 0.481 306 R N 0.101 120.625 120.500 0.041 0.000 2.394 306 R HA 0.346 4.683 4.340 -0.004 0.000 0.220 306 R C 0.093 176.407 176.300 0.024 0.000 0.887 306 R CA 0.352 56.465 56.100 0.022 0.000 1.034 306 R CB 1.097 31.397 30.300 0.000 0.000 1.179 306 R HN 0.093 nan 8.270 nan 0.000 0.561 307 A N 0.847 123.701 122.820 0.057 0.000 2.304 307 A HA 0.577 4.895 4.320 -0.004 0.000 0.301 307 A C -0.438 177.225 177.584 0.132 0.000 1.132 307 A CA 0.004 52.094 52.037 0.089 0.000 0.819 307 A CB 1.039 20.113 19.000 0.123 0.000 1.094 307 A HN 0.015 nan 8.150 nan 0.000 0.492 308 T N 1.690 116.353 114.554 0.183 0.000 2.893 308 T HA 0.489 4.837 4.350 -0.004 0.000 0.293 308 T C -0.927 173.899 174.700 0.211 0.000 1.027 308 T CA -0.302 61.928 62.100 0.216 0.000 0.988 308 T CB 1.258 70.320 68.868 0.324 0.000 1.043 308 T HN 0.626 nan 8.240 nan 0.000 0.461 309 L N 3.676 124.983 121.223 0.141 0.000 2.282 309 L HA 0.685 5.022 4.340 -0.004 0.000 0.288 309 L C -1.474 175.488 176.870 0.154 0.000 1.033 309 L CA -0.407 54.510 54.840 0.128 0.000 0.807 309 L CB 0.486 42.558 42.059 0.023 0.000 1.209 309 L HN 0.558 nan 8.230 nan 0.000 0.423 310 L N 6.165 127.526 121.223 0.230 0.000 2.296 310 L HA 0.527 4.864 4.340 -0.004 0.000 0.286 310 L C -0.889 176.126 176.870 0.241 0.000 1.023 310 L CA -0.191 54.793 54.840 0.240 0.000 0.812 310 L CB 1.560 43.822 42.059 0.340 0.000 1.223 310 L HN 0.546 nan 8.230 nan 0.000 0.421 311 L N 5.303 126.610 121.223 0.140 0.000 2.319 311 L HA 0.546 4.884 4.340 -0.004 0.000 0.281 311 L C -0.854 176.053 176.870 0.061 0.000 1.005 311 L CA -0.384 54.536 54.840 0.133 0.000 0.828 311 L CB 1.665 43.726 42.059 0.002 0.000 1.227 311 L HN 0.448 nan 8.230 nan 0.000 0.415 312 I N 3.179 123.800 120.570 0.086 0.000 2.362 312 I HA 0.308 4.475 4.170 -0.004 0.000 0.289 312 I C -0.305 175.819 176.117 0.010 0.000 0.994 312 I CA -0.085 61.178 61.300 -0.061 0.000 1.158 312 I CB 1.664 39.465 38.000 -0.333 0.000 1.315 312 I HN 0.546 nan 8.210 nan 0.000 0.451 313 Q N 7.956 127.767 119.800 0.018 0.000 2.333 313 Q HA 0.434 4.771 4.340 -0.004 0.000 0.265 313 Q C -2.398 173.632 176.000 0.051 0.000 0.989 313 Q CA -1.973 53.861 55.803 0.052 0.000 0.842 313 Q CB 1.796 30.561 28.738 0.045 0.000 1.262 313 Q HN 0.322 nan 8.270 nan 0.000 0.451 314 P HA -0.082 nan 4.420 nan 0.000 0.272 314 P C -0.097 177.242 177.300 0.065 0.000 1.223 314 P CA 0.129 63.259 63.100 0.049 0.000 0.784 314 P CB 0.947 32.645 31.700 -0.004 0.000 0.923 315 H N 1.337 120.417 119.070 0.018 0.000 2.421 315 H HA -0.088 4.466 4.556 -0.004 0.000 0.298 315 H C 0.532 175.843 175.328 -0.028 0.000 1.087 315 H CA 1.478 57.523 56.048 -0.005 0.000 1.330 315 H CB 0.037 29.794 29.762 -0.009 0.000 1.388 315 H HN 0.631 nan 8.280 nan 0.000 0.526 316 C N -2.146 117.163 119.300 0.015 0.000 3.239 316 C HA 0.334 4.791 4.460 -0.004 0.000 0.317 316 C C 1.766 176.740 174.990 -0.025 0.000 1.310 316 C CA -1.124 57.865 59.018 -0.049 0.000 1.371 316 C CB 0.247 28.001 27.740 0.023 0.000 1.714 316 C HN 0.397 nan 8.230 nan 0.000 0.473 317 I N 2.194 122.735 120.570 -0.048 0.000 2.208 317 I HA -0.182 3.985 4.170 -0.004 0.000 0.245 317 I C 2.599 178.710 176.117 -0.009 0.000 1.097 317 I CA 2.372 63.658 61.300 -0.023 0.000 1.363 317 I CB -0.358 37.631 38.000 -0.019 0.000 1.051 317 I HN 0.944 nan 8.210 nan 0.000 0.413 318 S N -0.652 115.043 115.700 -0.009 0.000 2.481 318 S HA -0.143 4.324 4.470 -0.004 0.000 0.231 318 S C 1.453 176.048 174.600 -0.009 0.000 0.996 318 S CA 0.854 59.051 58.200 -0.006 0.000 0.942 318 S CB -0.269 62.928 63.200 -0.005 0.000 0.768 318 S HN 0.345 nan 8.310 nan 0.000 0.520 319 D N 0.752 121.150 120.400 -0.004 0.000 2.349 319 D HA 0.165 4.802 4.640 -0.004 0.000 0.224 319 D C 1.366 177.644 176.300 -0.037 0.000 1.029 319 D CA -0.058 53.937 54.000 -0.009 0.000 0.879 319 D CB -0.186 40.626 40.800 0.019 0.000 0.906 319 D HN 0.384 nan 8.370 nan 0.000 0.528 320 L N 0.213 121.413 121.223 -0.039 0.000 2.046 320 L HA -0.120 4.218 4.340 -0.004 0.000 0.208 320 L C 1.448 178.263 176.870 -0.092 0.000 1.077 320 L CA 1.712 56.513 54.840 -0.065 0.000 0.747 320 L CB -0.160 41.877 42.059 -0.035 0.000 0.896 320 L HN -0.116 nan 8.230 nan 0.000 0.432 321 D N -0.612 119.747 120.400 -0.067 0.000 2.117 321 D HA -0.205 4.433 4.640 -0.004 0.000 0.198 321 D C 2.207 178.450 176.300 -0.094 0.000 0.982 321 D CA 1.174 55.131 54.000 -0.072 0.000 0.828 321 D CB -0.189 40.580 40.800 -0.051 0.000 0.967 321 D HN 0.358 nan 8.370 nan 0.000 0.464 322 R N 0.857 121.306 120.500 -0.085 0.000 2.080 322 R HA -0.134 4.204 4.340 -0.004 0.000 0.236 322 R C 2.294 178.504 176.300 -0.151 0.000 1.137 322 R CA 1.256 57.302 56.100 -0.091 0.000 0.943 322 R CB -0.356 29.909 30.300 -0.058 0.000 0.846 322 R HN 0.002 nan 8.270 nan 0.000 0.431 323 V N 1.261 121.059 119.914 -0.193 0.000 2.255 323 V HA -0.286 3.831 4.120 -0.004 0.000 0.247 323 V C 2.375 178.164 176.094 -0.507 0.000 1.051 323 V CA 2.345 64.426 62.300 -0.366 0.000 1.018 323 V CB -0.724 30.867 31.823 -0.387 0.000 0.641 323 V HN 0.518 nan 8.190 nan 0.000 0.445 324 E N 0.372 120.332 120.200 -0.400 0.000 2.086 324 E HA -0.297 4.051 4.350 -0.004 0.000 0.200 324 E C 2.162 178.606 176.600 -0.261 0.000 1.012 324 E CA 1.759 57.928 56.400 -0.386 0.000 0.812 324 E CB -0.318 29.290 29.700 -0.154 0.000 0.743 324 E HN 0.568 nan 8.360 nan 0.000 0.453 325 A N 0.697 123.416 122.820 -0.169 0.000 2.019 325 A HA -0.125 4.192 4.320 -0.004 0.000 0.219 325 A C 2.086 179.570 177.584 -0.167 0.000 1.164 325 A CA 0.806 52.772 52.037 -0.118 0.000 0.644 325 A CB -0.315 18.632 19.000 -0.088 0.000 0.805 325 A HN 0.316 nan 8.150 nan 0.000 0.449 326 L N -0.750 120.325 121.223 -0.246 0.000 2.044 326 L HA 0.043 4.381 4.340 -0.004 0.000 0.205 326 L C 2.324 179.002 176.870 -0.320 0.000 1.075 326 L CA 1.603 56.299 54.840 -0.239 0.000 0.747 326 L CB -0.855 41.066 42.059 -0.229 0.000 0.903 326 L HN 0.397 nan 8.230 nan 0.000 0.435 327 I N -2.055 118.170 120.570 -0.576 0.000 2.703 327 I HA -0.167 4.000 4.170 -0.004 0.000 0.259 327 I C 1.026 176.964 176.117 -0.300 0.000 1.151 327 I CA 0.498 61.298 61.300 -0.834 0.000 1.470 327 I CB 0.207 37.243 38.000 -1.607 0.000 1.112 327 I HN 0.045 nan 8.210 nan 0.000 0.437 328 F N 1.699 121.421 119.950 -0.379 0.000 2.916 328 F HA 0.274 4.798 4.527 -0.005 0.000 0.294 328 F C 0.598 176.129 175.800 -0.447 0.000 1.189 328 F CA -0.376 57.427 58.000 -0.329 0.000 1.369 328 F CB 0.316 39.247 39.000 -0.114 0.000 0.961 328 F HN 0.179 nan 8.300 nan 0.000 0.508 332 L N 0.993 122.308 121.223 0.154 0.000 2.387 332 L HA 0.493 4.831 4.340 -0.004 0.000 0.266 332 L C 0.778 177.670 176.870 0.036 0.000 1.059 332 L CA -0.376 54.535 54.840 0.119 0.000 0.801 332 L CB 0.984 43.086 42.059 0.070 0.000 1.223 332 L HN -0.069 nan 8.230 nan 0.000 0.456 333 L N 0.869 122.033 121.223 -0.098 0.000 3.064 333 L HA 0.087 4.425 4.340 -0.004 0.000 0.233 333 L C 1.827 178.404 176.870 -0.489 0.000 1.333 333 L CA -0.030 54.517 54.840 -0.489 0.000 1.140 333 L CB 0.050 41.757 42.059 -0.588 0.000 1.519 333 L HN 0.845 nan 8.230 nan 0.000 0.493 334 T N 0.411 114.858 114.554 -0.178 0.000 2.755 334 T HA -0.237 4.110 4.350 -0.004 0.000 0.266 334 T C 1.468 176.168 174.700 -0.001 0.000 1.041 334 T CA 2.384 64.459 62.100 -0.041 0.000 1.147 334 T CB -0.184 68.736 68.868 0.087 0.000 0.847 334 T HN 0.746 nan 8.240 nan 0.000 0.478 335 W N 0.269 121.626 121.300 0.095 0.000 3.077 335 W HA 0.361 5.019 4.660 -0.005 0.000 0.266 335 W C 0.329 176.993 176.519 0.241 0.000 1.300 335 W CA -0.760 56.701 57.345 0.193 0.000 1.586 335 W CB -0.611 29.038 29.460 0.315 0.000 1.103 335 W HN 0.193 nan 8.180 nan 0.000 0.652 336 I N 3.187 123.528 120.570 -0.382 0.000 2.587 336 I HA -0.007 4.160 4.170 -0.004 0.000 0.284 336 I C 0.250 176.181 176.117 -0.311 0.000 1.134 336 I CA 1.047 62.199 61.300 -0.247 0.000 1.410 336 I CB 0.441 38.139 38.000 -0.504 0.000 1.392 336 I HN -0.074 nan 8.210 nan 0.000 0.545 337 E N 4.912 124.691 120.200 -0.702 0.000 2.339 337 E HA 0.311 4.659 4.350 -0.004 0.000 0.262 337 E C -0.532 175.668 176.600 -0.668 0.000 0.934 337 E CA -0.828 55.060 56.400 -0.854 0.000 0.802 337 E CB 1.418 30.318 29.700 -1.333 0.000 1.275 337 E HN 0.368 nan 8.360 nan 0.000 0.427 338 N N 1.542 120.001 118.700 -0.402 0.000 2.696 338 N HA 0.209 4.947 4.740 -0.004 0.000 0.308 338 N C -2.569 172.880 175.510 -0.102 0.000 1.915 338 N CA -1.589 51.355 53.050 -0.177 0.000 0.906 338 N CB 0.364 38.797 38.487 -0.090 0.000 1.284 338 N HN 0.248 nan 8.380 nan 0.000 0.488 339 P HA 0.389 nan 4.420 nan 0.000 0.274 339 P C -2.769 174.572 177.300 0.067 0.000 1.246 339 P CA -1.182 61.919 63.100 0.002 0.000 0.795 339 P CB -0.149 31.591 31.700 0.067 0.000 1.006 340 P HA 0.198 nan 4.420 nan 0.000 0.267 340 P C -2.220 175.146 177.300 0.111 0.000 1.205 340 P CA -0.595 62.549 63.100 0.074 0.000 0.765 340 P CB -1.119 30.614 31.700 0.056 0.000 0.828 341 P HA 0.098 nan 4.420 nan 0.000 0.269 341 P C -0.225 177.131 177.300 0.094 0.000 1.211 341 P CA 0.213 63.393 63.100 0.134 0.000 0.781 341 P CB 0.485 32.251 31.700 0.111 0.000 0.877 342 R N -0.013 120.540 120.500 0.089 0.000 2.764 342 R HA 0.781 5.119 4.340 -0.004 0.000 0.270 342 R C -1.271 175.016 176.300 -0.022 0.000 1.014 342 R CA -1.313 54.812 56.100 0.042 0.000 0.904 342 R CB 1.036 31.381 30.300 0.075 0.000 1.236 342 R HN 0.323 nan 8.270 nan 0.000 0.466 343 A N 2.838 125.627 122.820 -0.051 0.000 2.515 343 A HA 0.339 4.656 4.320 -0.004 0.000 0.263 343 A C -0.107 177.426 177.584 -0.085 0.000 1.096 343 A CA 0.029 52.004 52.037 -0.103 0.000 0.769 343 A CB -0.229 18.723 19.000 -0.080 0.000 1.040 343 A HN 0.493 nan 8.150 nan 0.000 0.505 344 I N 2.586 123.081 120.570 -0.125 0.000 2.498 344 I HA 0.363 4.530 4.170 -0.004 0.000 0.290 344 I C 0.190 176.293 176.117 -0.023 0.000 1.032 344 I CA -0.399 60.886 61.300 -0.025 0.000 1.073 344 I CB 1.991 40.094 38.000 0.172 0.000 1.251 344 I HN 0.843 nan 8.210 nan 0.000 0.426 345 R N 5.809 126.294 120.500 -0.025 0.000 2.215 345 R HA 0.519 4.856 4.340 -0.004 0.000 0.337 345 R C -1.537 174.770 176.300 0.012 0.000 1.010 345 R CA -0.559 55.517 56.100 -0.039 0.000 0.871 345 R CB 0.919 31.177 30.300 -0.070 0.000 1.134 345 R HN 0.480 nan 8.270 nan 0.000 0.477 346 L N 4.028 125.298 121.223 0.078 0.000 2.287 346 L HA 0.495 4.833 4.340 -0.004 0.000 0.287 346 L C -1.137 175.815 176.870 0.137 0.000 1.022 346 L CA 0.233 55.166 54.840 0.154 0.000 0.814 346 L CB 2.067 44.335 42.059 0.348 0.000 1.217 346 L HN 0.642 nan 8.230 nan 0.000 0.420 347 T N 6.949 121.543 114.554 0.066 0.000 2.824 347 T HA 0.747 5.094 4.350 -0.004 0.000 0.282 347 T C -0.695 174.021 174.700 0.028 0.000 0.993 347 T CA -0.431 61.698 62.100 0.048 0.000 0.967 347 T CB 1.129 69.983 68.868 -0.023 0.000 0.960 347 T HN 0.676 nan 8.240 nan 0.000 0.441 348 L N 0.819 122.070 121.223 0.046 0.000 2.568 348 L HA 0.829 5.166 4.340 -0.004 0.000 0.257 348 L C -3.354 173.547 176.870 0.050 0.000 1.024 348 L CA -2.969 51.869 54.840 -0.003 0.000 0.854 348 L CB 1.569 43.551 42.059 -0.130 0.000 1.460 348 L HN 0.220 nan 8.230 nan 0.000 0.409 349 P HA 0.064 nan 4.420 nan 0.000 0.271 349 P C -1.152 176.157 177.300 0.016 0.000 1.216 349 P CA 0.011 63.142 63.100 0.051 0.000 0.776 349 P CB 0.548 32.249 31.700 0.002 0.000 0.881 350 Q N 2.933 122.737 119.800 0.008 0.000 2.263 350 Q HA 0.033 4.371 4.340 -0.004 0.000 0.289 350 Q C -0.784 175.190 176.000 -0.044 0.000 1.061 350 Q CA 0.501 56.293 55.803 -0.018 0.000 0.927 350 Q CB 0.107 28.841 28.738 -0.006 0.000 1.154 350 Q HN 0.466 nan 8.270 nan 0.000 0.378 351 L N 4.575 125.754 121.223 -0.073 0.000 2.257 351 L HA 0.304 4.642 4.340 -0.004 0.000 0.290 351 L C 0.001 176.809 176.870 -0.102 0.000 1.044 351 L CA -0.264 54.513 54.840 -0.105 0.000 0.810 351 L CB 1.060 43.012 42.059 -0.177 0.000 1.193 351 L HN 0.477 nan 8.230 nan 0.000 0.425 352 E N 5.680 125.830 120.200 -0.083 0.000 2.437 352 E HA 0.422 4.769 4.350 -0.004 0.000 0.238 352 E C -0.767 175.800 176.600 -0.055 0.000 0.969 352 E CA -0.219 56.144 56.400 -0.062 0.000 0.759 352 E CB 2.108 31.785 29.700 -0.039 0.000 1.283 352 E HN 0.480 nan 8.360 nan 0.000 0.416 353 I N 2.435 122.966 120.570 -0.066 0.000 2.354 353 I HA 0.358 4.526 4.170 -0.004 0.000 0.292 353 I C 0.337 176.466 176.117 0.021 0.000 0.989 353 I CA -0.527 60.756 61.300 -0.028 0.000 1.188 353 I CB 1.246 39.217 38.000 -0.047 0.000 1.342 353 I HN 0.013 nan 8.210 nan 0.000 0.457 354 R N 3.953 124.482 120.500 0.049 0.000 2.562 354 R HA 0.815 5.152 4.340 -0.004 0.000 0.298 354 R C -0.429 175.935 176.300 0.106 0.000 0.961 354 R CA -0.753 55.393 56.100 0.077 0.000 0.881 354 R CB 2.278 32.617 30.300 0.064 0.000 1.159 354 R HN 0.818 nan 8.270 nan 0.000 0.450 355 G N -0.181 108.698 108.800 0.132 0.000 2.720 355 G HA2 0.469 4.427 3.960 -0.004 0.000 0.295 355 G HA3 0.469 4.427 3.960 -0.004 0.000 0.295 355 G C -1.593 173.387 174.900 0.134 0.000 1.437 355 G CA -0.397 44.795 45.100 0.154 0.000 0.886 355 G HN 0.434 nan 8.290 nan 0.000 0.509 356 S N -0.119 115.657 115.700 0.128 0.000 2.543 356 S HA 0.797 5.265 4.470 -0.004 0.000 0.273 356 S C -1.402 173.256 174.600 0.096 0.000 1.152 356 S CA -0.740 57.482 58.200 0.037 0.000 0.910 356 S CB 1.042 64.269 63.200 0.045 0.000 1.105 356 S HN 1.774 nan 8.310 nan 0.000 0.465 357 Y N 1.302 121.642 120.300 0.067 0.000 2.597 357 Y HA 0.730 5.277 4.550 -0.006 0.000 0.340 357 Y C -0.898 175.031 175.900 0.049 0.000 1.097 357 Y CA -1.271 56.859 58.100 0.050 0.000 1.037 357 Y CB 0.764 39.249 38.460 0.041 0.000 1.305 357 Y HN 0.582 nan 8.280 nan 0.000 0.463 358 N N 2.312 121.160 118.700 0.246 0.000 2.439 358 N HA 0.119 4.856 4.740 -0.004 0.000 0.249 358 N C 0.411 176.073 175.510 0.254 0.000 1.003 358 N CA -0.521 52.631 53.050 0.171 0.000 0.942 358 N CB 1.364 39.915 38.487 0.105 0.000 1.115 358 N HN 0.914 nan 8.380 nan 0.000 0.505 359 L N 3.613 124.992 121.223 0.260 0.000 2.137 359 L HA -0.200 4.137 4.340 -0.004 0.000 0.213 359 L C 1.897 178.811 176.870 0.073 0.000 1.085 359 L CA 1.815 56.781 54.840 0.210 0.000 0.760 359 L CB -0.509 41.642 42.059 0.152 0.000 0.893 359 L HN 0.635 nan 8.230 nan 0.000 0.434 360 Q N -0.476 119.347 119.800 0.038 0.000 2.112 360 Q HA -0.234 4.103 4.340 -0.004 0.000 0.206 360 Q C 1.906 177.910 176.000 0.006 0.000 0.987 360 Q CA 1.991 57.791 55.803 -0.004 0.000 0.858 360 Q CB -0.534 28.200 28.738 -0.005 0.000 0.905 360 Q HN 0.614 nan 8.270 nan 0.000 0.420 361 D N 0.514 120.934 120.400 0.034 0.000 2.097 361 D HA -0.090 4.548 4.640 -0.004 0.000 0.197 361 D C 2.220 178.519 176.300 -0.003 0.000 0.984 361 D CA 0.739 54.752 54.000 0.021 0.000 0.826 361 D CB -0.255 40.569 40.800 0.040 0.000 0.973 361 D HN 0.216 nan 8.370 nan 0.000 0.460 362 L N 0.343 121.563 121.223 -0.005 0.000 2.046 362 L HA -0.129 4.208 4.340 -0.004 0.000 0.208 362 L C 2.657 179.501 176.870 -0.042 0.000 1.077 362 L CA 0.745 55.552 54.840 -0.055 0.000 0.747 362 L CB -0.616 41.376 42.059 -0.112 0.000 0.896 362 L HN 0.038 nan 8.230 nan 0.000 0.432 363 L N 0.157 121.364 121.223 -0.028 0.000 2.042 363 L HA -0.209 4.129 4.340 -0.004 0.000 0.210 363 L C 2.917 179.769 176.870 -0.031 0.000 1.076 363 L CA 1.287 56.107 54.840 -0.033 0.000 0.749 363 L CB -0.711 41.320 42.059 -0.046 0.000 0.893 363 L HN 0.260 nan 8.230 nan 0.000 0.432 364 A N -0.343 122.461 122.820 -0.027 0.000 1.969 364 A HA -0.231 4.086 4.320 -0.004 0.000 0.218 364 A C 2.170 179.740 177.584 -0.024 0.000 1.169 364 A CA 1.732 53.755 52.037 -0.024 0.000 0.635 364 A CB -0.379 18.610 19.000 -0.018 0.000 0.810 364 A HN 0.387 nan 8.150 nan 0.000 0.445 365 E N 0.243 120.426 120.200 -0.029 0.000 2.208 365 E HA -0.145 4.202 4.350 -0.004 0.000 0.193 365 E C 0.977 177.557 176.600 -0.034 0.000 0.988 365 E CA 1.150 57.529 56.400 -0.035 0.000 0.828 365 E CB -0.179 29.493 29.700 -0.048 0.000 0.763 365 E HN 0.431 nan 8.360 nan 0.000 0.478 366 D N 0.044 120.425 120.400 -0.031 0.000 2.319 366 D HA 0.046 4.683 4.640 -0.004 0.000 0.230 366 D C -0.315 175.975 176.300 -0.017 0.000 1.094 366 D CA 0.138 54.124 54.000 -0.024 0.000 0.856 366 D CB -0.136 40.652 40.800 -0.021 0.000 0.915 366 D HN 0.104 nan 8.370 nan 0.000 0.517 367 K N -0.660 119.730 120.400 -0.018 0.000 3.129 367 K HA -0.181 4.136 4.320 -0.004 0.000 0.273 367 K C -0.250 176.342 176.600 -0.014 0.000 1.123 367 K CA 0.346 56.624 56.287 -0.014 0.000 0.800 367 K CB -1.500 30.994 32.500 -0.010 0.000 1.238 367 K HN 0.286 nan 8.250 nan 0.000 0.492 368 L N -0.009 121.203 121.223 -0.019 0.000 2.960 368 L HA 0.171 4.508 4.340 -0.004 0.000 0.274 368 L C -1.311 175.540 176.870 -0.031 0.000 1.327 368 L CA -1.288 53.538 54.840 -0.023 0.000 0.860 368 L CB 0.615 42.660 42.059 -0.024 0.000 1.239 368 L HN -0.065 nan 8.230 nan 0.000 0.551 369 P HA -0.138 nan 4.420 nan 0.000 0.222 369 P C 1.144 178.422 177.300 -0.036 0.000 1.147 369 P CA 1.283 64.366 63.100 -0.029 0.000 0.790 369 P CB 0.058 31.745 31.700 -0.021 0.000 0.780 370 T N -4.934 109.599 114.554 -0.036 0.000 3.085 370 T HA 0.195 4.543 4.350 -0.004 0.000 0.264 370 T C 1.592 176.260 174.700 -0.053 0.000 1.019 370 T CA -0.361 61.714 62.100 -0.041 0.000 0.910 370 T CB -0.747 68.104 68.868 -0.029 0.000 1.059 370 T HN -0.090 nan 8.240 nan 0.000 0.542 371 L N 0.666 121.853 121.223 -0.060 0.000 1.978 371 L HA 0.057 4.394 4.340 -0.004 0.000 0.218 371 L C 1.495 178.300 176.870 -0.109 0.000 1.075 371 L CA 1.692 56.489 54.840 -0.071 0.000 0.767 371 L CB -0.157 41.857 42.059 -0.074 0.000 0.890 371 L HN 0.384 nan 8.230 nan 0.000 0.434 372 L N -0.230 120.895 121.223 -0.164 0.000 2.851 372 L HA 0.205 4.542 4.340 -0.004 0.000 0.237 372 L C 0.998 177.781 176.870 -0.144 0.000 1.257 372 L CA -0.442 54.259 54.840 -0.232 0.000 1.061 372 L CB -0.520 41.282 42.059 -0.428 0.000 1.372 372 L HN 0.174 nan 8.230 nan 0.000 0.493 373 G N -0.448 108.297 108.800 -0.091 0.000 2.535 373 G HA2 0.338 4.295 3.960 -0.004 0.000 0.282 373 G HA3 0.338 4.295 3.960 -0.004 0.000 0.282 373 G C 1.071 175.945 174.900 -0.044 0.000 1.350 373 G CA 0.221 45.286 45.100 -0.058 0.000 1.039 373 G HN 0.217 nan 8.290 nan 0.000 0.509 374 A N -1.133 121.670 122.820 -0.029 0.000 2.019 374 A HA 0.014 4.331 4.320 -0.004 0.000 0.219 374 A C 1.840 179.415 177.584 -0.015 0.000 1.164 374 A CA 1.637 53.663 52.037 -0.019 0.000 0.644 374 A CB -0.218 18.774 19.000 -0.013 0.000 0.805 374 A HN 0.620 nan 8.150 nan 0.000 0.449 375 E N 0.046 120.236 120.200 -0.017 0.000 2.463 375 E HA 0.294 4.642 4.350 -0.004 0.000 0.193 375 E C 0.496 177.087 176.600 -0.015 0.000 1.041 375 E CA 0.216 56.608 56.400 -0.013 0.000 0.879 375 E CB -0.050 29.643 29.700 -0.011 0.000 0.997 375 E HN 0.542 nan 8.360 nan 0.000 0.478 376 A N 2.408 125.214 122.820 -0.023 0.000 2.520 376 A HA -0.016 4.301 4.320 -0.004 0.000 0.245 376 A C 0.410 177.987 177.584 -0.012 0.000 1.072 376 A CA -0.186 51.836 52.037 -0.025 0.000 0.761 376 A CB -0.037 18.936 19.000 -0.046 0.000 1.004 376 A HN 0.018 nan 8.150 nan 0.000 0.499 377 N N 2.513 121.205 118.700 -0.012 0.000 2.421 377 N HA 0.185 4.923 4.740 -0.004 0.000 0.260 377 N C -0.383 175.118 175.510 -0.016 0.000 1.173 377 N CA 0.181 53.223 53.050 -0.013 0.000 0.960 377 N CB -0.072 38.404 38.487 -0.019 0.000 1.273 377 N HN 0.596 nan 8.380 nan 0.000 0.497 378 L N 2.845 124.062 121.223 -0.010 0.000 3.154 378 L HA 0.286 4.623 4.340 -0.004 0.000 0.266 378 L C 1.189 178.021 176.870 -0.064 0.000 1.300 378 L CA -0.265 54.560 54.840 -0.025 0.000 1.028 378 L CB 0.075 42.155 42.059 0.035 0.000 1.412 378 L HN 0.324 nan 8.230 nan 0.000 0.564 379 N N 0.614 119.281 118.700 -0.055 0.000 2.550 379 N HA -0.050 4.687 4.740 -0.004 0.000 0.186 379 N C 0.878 176.336 175.510 -0.087 0.000 1.110 379 N CA 0.636 53.655 53.050 -0.052 0.000 0.912 379 N CB 0.235 38.700 38.487 -0.037 0.000 0.968 379 N HN 0.384 nan 8.380 nan 0.000 0.448 380 N N 0.475 119.098 118.700 -0.127 0.000 2.322 380 N HA 0.183 4.921 4.740 -0.004 0.000 0.194 380 N C 1.461 176.806 175.510 -0.275 0.000 1.126 380 N CA -0.059 52.909 53.050 -0.137 0.000 0.845 380 N CB 0.443 38.876 38.487 -0.090 0.000 0.976 380 N HN 0.333 nan 8.380 nan 0.000 0.475 381 I N -1.005 119.318 120.570 -0.410 0.000 2.339 381 I HA 0.074 4.241 4.170 -0.004 0.000 0.245 381 I C 1.438 177.424 176.117 -0.218 0.000 1.096 381 I CA 0.578 61.459 61.300 -0.699 0.000 1.408 381 I CB 0.135 37.751 38.000 -0.640 0.000 1.092 381 I HN 0.070 nan 8.210 nan 0.000 0.423 382 G N -0.955 107.766 108.800 -0.132 0.000 2.976 382 G HA2 0.109 4.067 3.960 -0.004 0.000 0.276 382 G HA3 0.109 4.067 3.960 -0.004 0.000 0.276 382 G C -0.658 174.056 174.900 -0.309 0.000 1.207 382 G CA -0.147 44.766 45.100 -0.311 0.000 0.803 382 G HN -0.119 nan 8.290 nan 0.000 0.572 383 D N 0.018 120.131 120.400 -0.477 0.000 2.323 383 D HA 0.157 4.794 4.640 -0.004 0.000 0.209 383 D C 1.272 177.461 176.300 -0.186 0.000 0.973 383 D CA 1.305 55.130 54.000 -0.290 0.000 0.874 383 D CB 0.287 40.907 40.800 -0.301 0.000 0.930 383 D HN 0.482 nan 8.370 nan 0.000 0.521 384 T N -2.271 112.181 114.554 -0.169 0.000 2.901 384 T HA 0.338 4.685 4.350 -0.004 0.000 0.293 384 T C -0.213 174.578 174.700 0.153 0.000 1.084 384 T CA -1.053 61.065 62.100 0.029 0.000 1.008 384 T CB 1.643 70.573 68.868 0.104 0.000 1.170 384 T HN -0.272 nan 8.240 nan 0.000 0.509 385 N N 3.068 121.838 118.700 0.117 0.000 2.452 385 N HA 0.273 5.010 4.740 -0.004 0.000 0.266 385 N C -2.080 173.524 175.510 0.158 0.000 1.209 385 N CA -1.345 51.770 53.050 0.108 0.000 0.929 385 N CB 0.127 38.643 38.487 0.049 0.000 1.063 385 N HN 0.430 nan 8.380 nan 0.000 0.472 386 P HA 0.149 nan 4.420 nan 0.000 0.272 386 P C -0.776 176.500 177.300 -0.040 0.000 1.240 386 P CA -0.307 62.765 63.100 -0.046 0.000 0.791 386 P CB 0.640 32.260 31.700 -0.134 0.000 0.978 387 R N 1.236 121.681 120.500 -0.092 0.000 2.358 387 R HA 0.376 4.713 4.340 -0.004 0.000 0.309 387 R C -1.282 174.995 176.300 -0.039 0.000 1.026 387 R CA -0.714 55.359 56.100 -0.044 0.000 0.909 387 R CB -0.229 30.050 30.300 -0.035 0.000 1.153 387 R HN 0.162 nan 8.270 nan 0.000 0.515 388 V N 5.039 124.950 119.914 -0.005 0.000 2.455 388 V HA 0.426 4.544 4.120 -0.004 0.000 0.273 388 V C 1.208 177.317 176.094 0.026 0.000 1.045 388 V CA 0.322 62.645 62.300 0.038 0.000 0.976 388 V CB 0.959 32.815 31.823 0.054 0.000 0.993 388 V HN 0.912 nan 8.190 nan 0.000 0.475 389 G N 4.341 113.174 108.800 0.055 0.000 3.137 389 G HA2 0.250 4.207 3.960 -0.004 0.000 0.163 389 G HA3 0.250 4.207 3.960 -0.004 0.000 0.163 389 G C 0.200 175.145 174.900 0.075 0.000 1.602 389 G CA -0.361 44.770 45.100 0.051 0.000 1.067 389 G HN 0.817 nan 8.290 nan 0.000 0.568 390 E N -0.966 119.290 120.200 0.092 0.000 2.436 390 E HA 0.253 4.600 4.350 -0.004 0.000 0.262 390 E C -1.083 175.619 176.600 0.170 0.000 1.063 390 E CA -0.239 56.225 56.400 0.107 0.000 0.944 390 E CB 1.205 30.966 29.700 0.102 0.000 0.950 390 E HN 0.028 nan 8.360 nan 0.000 0.444 391 V N 4.311 124.317 119.914 0.153 0.000 2.383 391 V HA 0.167 4.284 4.120 -0.004 0.000 0.261 391 V C -0.123 176.055 176.094 0.139 0.000 0.987 391 V CA -0.522 61.911 62.300 0.223 0.000 0.853 391 V CB -0.029 31.898 31.823 0.174 0.000 1.095 391 V HN 0.583 nan 8.190 nan 0.000 0.461 392 L N 2.854 124.132 121.223 0.091 0.000 2.397 392 L HA 0.478 4.815 4.340 -0.004 0.000 0.271 392 L C 0.060 176.818 176.870 -0.186 0.000 1.148 392 L CA 0.002 54.802 54.840 -0.067 0.000 0.825 392 L CB 0.709 42.726 42.059 -0.070 0.000 1.117 392 L HN 0.457 nan 8.230 nan 0.000 0.456 393 N N 1.083 119.534 118.700 -0.415 0.000 2.399 393 N HA 0.428 5.166 4.740 -0.004 0.000 0.280 393 N C -1.285 173.995 175.510 -0.383 0.000 1.008 393 N CA -0.371 52.432 53.050 -0.411 0.000 0.894 393 N CB 2.145 40.306 38.487 -0.542 0.000 1.273 393 N HN 0.441 nan 8.380 nan 0.000 0.486 394 S N 1.436 117.023 115.700 -0.188 0.000 2.526 394 S HA 0.664 5.132 4.470 -0.004 0.000 0.293 394 S C -0.277 174.416 174.600 0.155 0.000 1.092 394 S CA -0.603 57.596 58.200 -0.001 0.000 0.980 394 S CB 1.377 64.639 63.200 0.105 0.000 1.048 394 S HN 0.340 nan 8.310 nan 0.000 0.483 395 I N 2.431 123.110 120.570 0.181 0.000 2.545 395 I HA 0.467 4.634 4.170 -0.004 0.000 0.292 395 I C -1.445 174.767 176.117 0.158 0.000 1.040 395 I CA -0.882 60.551 61.300 0.222 0.000 1.068 395 I CB 1.918 40.093 38.000 0.292 0.000 1.251 395 I HN 0.342 nan 8.210 nan 0.000 0.424 396 L N 7.337 128.627 121.223 0.113 0.000 2.342 396 L HA 0.577 4.915 4.340 -0.004 0.000 0.276 396 L C -1.435 175.457 176.870 0.038 0.000 0.997 396 L CA -0.334 54.540 54.840 0.057 0.000 0.838 396 L CB 1.412 43.463 42.059 -0.012 0.000 1.224 396 L HN 0.549 nan 8.230 nan 0.000 0.416 397 L N 4.682 125.880 121.223 -0.042 0.000 2.325 397 L HA 0.616 4.953 4.340 -0.004 0.000 0.281 397 L C -0.910 175.898 176.870 -0.103 0.000 1.004 397 L CA -0.144 54.611 54.840 -0.141 0.000 0.823 397 L CB 1.215 43.057 42.059 -0.362 0.000 1.236 397 L HN 0.649 nan 8.230 nan 0.000 0.415 398 E N 5.683 125.835 120.200 -0.081 0.000 2.185 398 E HA 0.354 4.701 4.350 -0.004 0.000 0.261 398 E C -1.473 175.071 176.600 -0.095 0.000 0.879 398 E CA -0.832 55.517 56.400 -0.086 0.000 0.756 398 E CB 2.406 32.067 29.700 -0.065 0.000 1.152 398 E HN 0.357 nan 8.360 nan 0.000 0.416 399 L N 3.773 124.936 121.223 -0.100 0.000 2.276 399 L HA 0.323 4.660 4.340 -0.004 0.000 0.286 399 L C -0.244 176.566 176.870 -0.101 0.000 1.024 399 L CA -0.259 54.518 54.840 -0.106 0.000 0.826 399 L CB 0.770 42.746 42.059 -0.139 0.000 1.211 399 L HN 0.308 nan 8.230 nan 0.000 0.422 400 K N 2.083 122.427 120.400 -0.094 0.000 2.123 400 K HA 0.756 5.074 4.320 -0.004 0.000 0.259 400 K C -0.150 176.422 176.600 -0.046 0.000 0.960 400 K CA -0.723 55.526 56.287 -0.062 0.000 0.872 400 K CB 1.544 34.009 32.500 -0.058 0.000 1.079 400 K HN 0.644 nan 8.250 nan 0.000 0.440 401 A N 1.302 124.120 122.820 -0.003 0.000 2.488 401 A HA 0.205 4.523 4.320 -0.004 0.000 0.249 401 A C 1.168 178.784 177.584 0.053 0.000 1.083 401 A CA 0.143 52.214 52.037 0.055 0.000 0.768 401 A CB 0.070 19.119 19.000 0.082 0.000 1.017 401 A HN 0.961 nan 8.150 nan 0.000 0.496 402 G N 1.361 110.216 108.800 0.091 0.000 2.848 402 G HA2 0.265 4.222 3.960 -0.004 0.000 0.208 402 G HA3 0.265 4.222 3.960 -0.004 0.000 0.208 402 G C 0.328 175.264 174.900 0.062 0.000 1.152 402 G CA 0.390 45.532 45.100 0.070 0.000 0.789 402 G HN 0.803 nan 8.290 nan 0.000 0.531 403 E N -0.406 119.834 120.200 0.067 0.000 2.413 403 E HA 0.350 4.697 4.350 -0.004 0.000 0.277 403 E C -1.221 175.404 176.600 0.042 0.000 0.958 403 E CA -0.769 55.660 56.400 0.049 0.000 0.779 403 E CB 1.683 31.414 29.700 0.051 0.000 1.278 403 E HN 0.076 nan 8.360 nan 0.000 0.456 404 E N 0.923 121.141 120.200 0.029 0.000 2.397 404 E HA 0.079 4.426 4.350 -0.004 0.000 0.254 404 E C -0.327 176.289 176.600 0.027 0.000 1.231 404 E CA -0.059 56.356 56.400 0.025 0.000 0.954 404 E CB 0.778 30.489 29.700 0.018 0.000 1.024 404 E HN 0.328 nan 8.360 nan 0.000 0.481 405 E N 0.531 120.746 120.200 0.025 0.000 2.314 405 E HA 0.071 4.419 4.350 -0.004 0.000 0.262 405 E C -0.640 175.971 176.600 0.019 0.000 1.093 405 E CA -0.364 56.051 56.400 0.026 0.000 0.908 405 E CB 0.976 30.694 29.700 0.029 0.000 1.091 405 E HN 0.299 nan 8.360 nan 0.000 0.425 418 E N 1.765 121.944 120.200 -0.035 0.000 2.452 418 E HA 0.458 4.806 4.350 -0.004 0.000 0.261 418 E C -0.477 176.098 176.600 -0.041 0.000 0.987 418 E CA 0.268 56.648 56.400 -0.033 0.000 0.926 418 E CB 0.461 30.146 29.700 -0.024 0.000 0.934 418 E HN 0.557 nan 8.360 nan 0.000 0.452 419 A N 3.910 126.704 122.820 -0.042 0.000 2.608 419 A HA 0.415 4.732 4.320 -0.004 0.000 0.292 419 A C -1.755 175.801 177.584 -0.046 0.000 1.066 419 A CA -0.861 51.145 52.037 -0.051 0.000 0.676 419 A CB 1.001 19.959 19.000 -0.070 0.000 1.277 419 A HN 0.566 nan 8.150 nan 0.000 0.413 420 L N 1.100 122.292 121.223 -0.052 0.000 2.290 420 L HA 0.541 4.878 4.340 -0.004 0.000 0.284 420 L C -1.041 175.779 176.870 -0.083 0.000 1.078 420 L CA -0.090 54.711 54.840 -0.065 0.000 0.815 420 L CB 0.658 42.668 42.059 -0.081 0.000 1.162 420 L HN 0.535 nan 8.230 nan 0.000 0.435 421 D N 5.148 125.504 120.400 -0.073 0.000 2.325 421 D HA 0.238 4.875 4.640 -0.004 0.000 0.251 421 D C -0.541 175.704 176.300 -0.091 0.000 1.196 421 D CA 0.126 54.085 54.000 -0.068 0.000 0.866 421 D CB 1.477 42.247 40.800 -0.050 0.000 1.101 421 D HN 0.287 nan 8.370 nan 0.000 0.476 422 V N 2.966 122.827 119.914 -0.089 0.000 2.370 422 V HA 0.367 4.484 4.120 -0.004 0.000 0.283 422 V C 0.293 176.360 176.094 -0.045 0.000 1.023 422 V CA -0.360 61.888 62.300 -0.086 0.000 0.857 422 V CB 1.807 33.565 31.823 -0.108 0.000 0.985 422 V HN 0.474 nan 8.190 nan 0.000 0.443 423 T N 6.328 120.855 114.554 -0.044 0.000 2.847 423 T HA 0.473 4.821 4.350 -0.004 0.000 0.291 423 T C -0.477 174.200 174.700 -0.039 0.000 0.998 423 T CA -0.359 61.721 62.100 -0.033 0.000 0.967 423 T CB 1.186 70.040 68.868 -0.023 0.000 0.954 423 T HN 0.235 nan 8.240 nan 0.000 0.441 424 L N 4.129 125.318 121.223 -0.056 0.000 2.389 424 L HA 0.290 4.628 4.340 -0.004 0.000 0.265 424 L C 1.304 178.252 176.870 0.129 0.000 1.167 424 L CA 0.146 54.940 54.840 -0.076 0.000 1.045 424 L CB 0.009 41.809 42.059 -0.431 0.000 1.351 424 L HN 0.791 nan 8.230 nan 0.000 0.419 425 S N -1.591 114.122 115.700 0.021 0.000 2.602 425 S HA 0.439 4.906 4.470 -0.004 0.000 0.240 425 S C 0.421 174.687 174.600 -0.558 0.000 0.992 425 S CA -0.007 58.164 58.200 -0.047 0.000 0.971 425 S CB 0.054 63.302 63.200 0.079 0.000 0.855 425 S HN 0.459 nan 8.310 nan 0.000 0.481 426 S N -0.477 114.851 115.700 -0.621 0.000 2.688 426 S HA 0.706 5.174 4.470 -0.004 0.000 0.275 426 S C -3.521 171.006 174.600 -0.121 0.000 1.175 426 S CA -1.514 56.240 58.200 -0.743 0.000 0.818 426 S CB 0.264 63.312 63.200 -0.254 0.000 1.157 426 S HN 0.014 nan 8.310 nan 0.000 0.482 427 P HA 0.361 nan 4.420 nan 0.000 0.265 427 P C -0.843 176.639 177.300 0.303 0.000 1.187 427 P CA 0.198 63.472 63.100 0.291 0.000 0.766 427 P CB -0.165 31.627 31.700 0.152 0.000 0.820 428 F N 0.654 120.724 119.950 0.199 0.000 2.692 428 F HA 0.709 5.234 4.527 -0.003 0.000 0.320 428 F C -1.623 174.258 175.800 0.135 0.000 1.123 428 F CA -1.485 56.586 58.000 0.119 0.000 0.961 428 F CB 0.879 39.965 39.000 0.144 0.000 1.383 428 F HN -0.054 nan 8.300 nan 0.000 0.483 429 L N 1.779 123.129 121.223 0.212 0.000 2.330 429 L HA 0.728 5.066 4.340 -0.004 0.000 0.271 429 L C -0.943 176.160 176.870 0.389 0.000 1.013 429 L CA -0.977 53.924 54.840 0.102 0.000 0.816 429 L CB 1.869 43.786 42.059 -0.238 0.000 1.287 429 L HN 0.806 nan 8.230 nan 0.000 0.435 430 F N 0.082 120.228 119.950 0.325 0.000 2.613 430 F HA 0.968 5.493 4.527 -0.004 0.000 0.314 430 F C -0.827 175.172 175.800 0.331 0.000 1.075 430 F CA -0.978 57.214 58.000 0.319 0.000 0.945 430 F CB 1.810 40.975 39.000 0.276 0.000 1.310 430 F HN 0.489 nan 8.300 nan 0.000 0.467 431 A N 2.440 125.531 122.820 0.452 0.000 2.549 431 A HA 0.802 5.120 4.320 -0.004 0.000 0.297 431 A C -1.779 176.013 177.584 0.346 0.000 1.061 431 A CA -0.725 51.493 52.037 0.302 0.000 0.690 431 A CB 1.414 20.603 19.000 0.315 0.000 1.287 431 A HN 0.842 nan 8.150 nan 0.000 0.402 432 I N 1.655 122.407 120.570 0.302 0.000 2.433 432 I HA 0.502 4.669 4.170 -0.004 0.000 0.292 432 I C -1.217 175.102 176.117 0.336 0.000 1.001 432 I CA -0.586 60.867 61.300 0.255 0.000 1.119 432 I CB 1.830 39.872 38.000 0.070 0.000 1.289 432 I HN 0.725 nan 8.210 nan 0.000 0.438 433 Y N 6.106 126.509 120.300 0.172 0.000 2.470 433 Y HA 0.425 4.973 4.550 -0.005 0.000 0.341 433 Y C -1.054 174.955 175.900 0.181 0.000 1.021 433 Y CA -0.857 57.343 58.100 0.167 0.000 1.025 433 Y CB 1.705 40.243 38.460 0.130 0.000 1.266 433 Y HN 0.451 nan 8.280 nan 0.000 0.448 434 E N 5.341 125.318 120.200 -0.372 0.000 2.129 434 E HA 0.208 4.556 4.350 -0.004 0.000 0.268 434 E C -0.341 175.880 176.600 -0.632 0.000 0.900 434 E CA -0.259 55.953 56.400 -0.314 0.000 0.755 434 E CB 1.774 31.491 29.700 0.028 0.000 1.117 434 E HN 1.027 nan 8.360 nan 0.000 0.410 435 Q N 2.391 121.935 119.800 -0.426 0.000 2.124 435 Q HA -0.163 4.175 4.340 -0.004 0.000 0.202 435 Q C 0.688 176.586 176.000 -0.170 0.000 0.977 435 Q CA 1.576 57.198 55.803 -0.301 0.000 0.850 435 Q CB 0.251 28.953 28.738 -0.060 0.000 0.901 435 Q HN 0.492 nan 8.270 nan 0.000 0.429 436 D N 0.342 120.671 120.400 -0.117 0.000 2.084 436 D HA -0.120 4.517 4.640 -0.004 0.000 0.196 436 D C 2.174 178.438 176.300 -0.060 0.000 0.985 436 D CA 1.862 55.826 54.000 -0.060 0.000 0.826 436 D CB -0.311 40.468 40.800 -0.034 0.000 0.978 436 D HN 0.251 nan 8.370 nan 0.000 0.456 437 S N -0.923 114.729 115.700 -0.079 0.000 2.470 437 S HA 0.179 4.646 4.470 -0.004 0.000 0.225 437 S C 1.846 176.401 174.600 -0.076 0.000 1.006 437 S CA 0.910 59.072 58.200 -0.064 0.000 0.934 437 S CB 0.159 63.327 63.200 -0.054 0.000 0.778 437 S HN 0.367 nan 8.310 nan 0.000 0.517 438 G N 0.966 109.678 108.800 -0.146 0.000 2.148 438 G HA2 -0.237 3.720 3.960 -0.004 0.000 0.254 438 G HA3 -0.237 3.720 3.960 -0.004 0.000 0.254 438 G C 0.090 174.976 174.900 -0.023 0.000 0.981 438 G CA 0.335 45.401 45.100 -0.058 0.000 0.670 438 G HN 0.648 nan 8.290 nan 0.000 0.528 439 T N 1.236 115.688 114.554 -0.170 0.000 2.814 439 T HA 0.475 4.822 4.350 -0.004 0.000 0.297 439 T C 0.810 175.403 174.700 -0.178 0.000 0.956 439 T CA -0.083 61.873 62.100 -0.240 0.000 1.123 439 T CB 1.354 69.970 68.868 -0.420 0.000 0.902 439 T HN 0.309 nan 8.240 nan 0.000 0.528 440 L N 4.431 125.564 121.223 -0.150 0.000 2.315 440 L HA 0.218 4.555 4.340 -0.004 0.000 0.283 440 L C 1.580 178.251 176.870 -0.332 0.000 1.089 440 L CA -0.487 54.294 54.840 -0.099 0.000 0.833 440 L CB 0.450 42.407 42.059 -0.170 0.000 1.170 440 L HN 0.800 nan 8.230 nan 0.000 0.442 441 H N 3.708 122.694 119.070 -0.141 0.000 2.525 441 H HA 0.188 4.742 4.556 -0.004 0.000 0.275 441 H C -0.522 174.348 175.328 -0.763 0.000 0.984 441 H CA 0.703 56.539 56.048 -0.354 0.000 1.264 441 H CB 0.520 30.157 29.762 -0.207 0.000 1.432 441 H HN 0.323 nan 8.280 nan 0.000 0.549 442 F N 0.612 120.542 119.950 -0.034 0.000 2.628 442 F HA 0.271 4.795 4.527 -0.004 0.000 0.309 442 F C -1.046 174.624 175.800 -0.216 0.000 1.108 442 F CA -1.308 56.644 58.000 -0.080 0.000 0.971 442 F CB 1.580 40.580 39.000 -0.000 0.000 1.279 442 F HN -0.273 nan 8.300 nan 0.000 0.441 443 L N 0.790 121.851 121.223 -0.269 0.000 2.333 443 L HA 1.160 5.497 4.340 -0.004 0.000 0.263 443 L C -0.259 176.108 176.870 -0.839 0.000 1.014 443 L CA -1.211 53.163 54.840 -0.776 0.000 0.820 443 L CB 1.356 42.508 42.059 -1.512 0.000 1.352 443 L HN 0.789 nan 8.230 nan 0.000 0.421 444 G N -0.110 107.997 108.800 -1.155 0.000 2.380 444 G HA2 0.594 4.552 3.960 -0.004 0.000 0.299 444 G HA3 0.594 4.552 3.960 -0.004 0.000 0.299 444 G C -2.145 172.439 174.900 -0.526 0.000 1.321 444 G CA -0.950 43.669 45.100 -0.801 0.000 0.823 444 G HN 0.743 nan 8.290 nan 0.000 0.496 445 R N -0.356 120.097 120.500 -0.078 0.000 2.574 445 R HA 0.621 4.959 4.340 -0.004 0.000 0.288 445 R C -1.652 174.657 176.300 0.014 0.000 1.004 445 R CA -0.549 55.553 56.100 0.002 0.000 0.895 445 R CB 2.266 32.610 30.300 0.073 0.000 1.191 445 R HN 0.420 nan 8.270 nan 0.000 0.444 446 V N 5.065 124.841 119.914 -0.230 0.000 2.347 446 V HA 0.212 4.330 4.120 -0.004 0.000 0.280 446 V C 0.233 176.237 176.094 -0.150 0.000 1.021 446 V CA -0.366 61.758 62.300 -0.294 0.000 0.847 446 V CB 1.407 32.817 31.823 -0.689 0.000 0.990 446 V HN 0.893 nan 8.190 nan 0.000 0.444 447 N N 3.096 121.786 118.700 -0.018 0.000 2.415 447 N HA 0.105 4.842 4.740 -0.004 0.000 0.174 447 N C 0.253 175.864 175.510 0.167 0.000 1.048 447 N CA 0.149 53.260 53.050 0.101 0.000 0.895 447 N CB 0.328 38.855 38.487 0.067 0.000 1.036 447 N HN 0.586 nan 8.380 nan 0.000 0.449 448 N N -0.724 117.974 118.700 -0.003 0.000 2.752 448 N HA 0.148 4.885 4.740 -0.004 0.000 0.268 448 N C -2.559 172.842 175.510 -0.181 0.000 1.190 448 N CA -1.148 51.861 53.050 -0.069 0.000 0.897 448 N CB 1.418 39.913 38.487 0.013 0.000 1.515 448 N HN -0.198 nan 8.380 nan 0.000 0.567 449 P HA 0.060 nan 4.420 nan 0.000 0.218 449 P C -0.505 176.712 177.300 -0.139 0.000 1.152 449 P CA 1.073 64.026 63.100 -0.245 0.000 0.826 449 P CB 0.588 32.094 31.700 -0.324 0.000 0.790 450 Q N 0.000 119.725 119.800 -0.125 0.000 2.315 450 Q HA 0.000 4.337 4.340 -0.004 0.000 0.214 450 Q CA 0.000 55.766 55.803 -0.062 0.000 1.022 450 Q CB 0.000 28.711 28.738 -0.044 0.000 1.108 450 Q HN 0.000 nan 8.270 nan 0.000 0.481