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 2wxx_1_C DATA FIRST_RESID 1 DATA SEQUENCE DRVYIHPFHL LYHNKSTcAX XXXXXXXTLP 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 AGEEEXXXXX XXXXXXXEAL 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 0.000 176.320 176.300 0.033 0.000 2.045 1 D CA 0.000 54.019 54.000 0.032 0.000 0.868 1 D CB 0.000 40.815 40.800 0.024 0.000 0.688 2 R N 0.784 121.315 120.500 0.052 0.000 2.586 2 R HA 0.329 4.675 4.340 0.009 0.000 0.336 2 R C -0.163 176.179 176.300 0.070 0.000 1.060 2 R CA -0.225 55.902 56.100 0.046 0.000 1.079 2 R CB 0.942 31.261 30.300 0.032 0.000 1.317 2 R HN -0.144 nan 8.270 nan 0.000 0.568 3 V N 1.165 121.117 119.914 0.062 0.000 5.915 3 V HA -0.301 3.825 4.120 0.009 0.000 0.250 3 V C -0.922 175.245 176.094 0.122 0.000 0.647 3 V CA 1.330 63.664 62.300 0.057 0.000 0.573 3 V CB -1.907 29.937 31.823 0.035 0.000 0.266 3 V HN 0.518 nan 8.190 nan 0.000 0.580 4 Y N 1.159 121.431 120.300 -0.046 0.000 2.299 4 Y HA 0.638 5.194 4.550 0.009 0.000 0.318 4 Y C -0.671 175.185 175.900 -0.074 0.000 1.205 4 Y CA -1.049 57.013 58.100 -0.063 0.000 1.106 4 Y CB 1.326 39.754 38.460 -0.053 0.000 1.246 4 Y HN 0.217 nan 8.280 nan 0.000 0.415 5 I N 6.788 126.968 120.570 -0.651 0.000 2.354 5 I HA 0.194 4.369 4.170 0.009 0.000 0.286 5 I C -0.128 175.437 176.117 -0.921 0.000 1.007 5 I CA -0.725 60.198 61.300 -0.628 0.000 1.167 5 I CB 0.682 38.371 38.000 -0.519 0.000 1.320 5 I HN 0.651 nan 8.210 nan 0.000 0.458 6 H N 8.795 127.380 119.070 -0.809 0.000 2.964 6 H HA 0.044 4.606 4.556 0.009 0.000 0.328 6 H C -1.761 173.320 175.328 -0.411 0.000 1.030 6 H CA -0.834 54.870 56.048 -0.574 0.000 1.445 6 H CB 1.439 31.074 29.762 -0.212 0.000 1.449 6 H HN 0.370 nan 8.280 nan 0.000 0.581 7 P HA -0.191 nan 4.420 nan 0.000 0.217 7 P C 0.138 177.353 177.300 -0.142 0.000 1.151 7 P CA 1.453 64.216 63.100 -0.561 0.000 0.849 7 P CB -0.016 31.144 31.700 -0.900 0.000 0.787 8 F N -1.562 118.614 119.950 0.377 0.000 2.916 8 F HA 0.164 4.697 4.527 0.010 0.000 0.294 8 F C 1.970 178.109 175.800 0.566 0.000 1.189 8 F CA -0.852 57.400 58.000 0.420 0.000 1.369 8 F CB -1.623 37.579 39.000 0.337 0.000 0.961 8 F HN 0.120 nan 8.300 nan 0.000 0.508 9 H N -0.232 119.073 119.070 0.393 0.000 2.422 9 H HA -0.116 4.445 4.556 0.009 0.000 0.298 9 H C 1.484 176.985 175.328 0.287 0.000 1.098 9 H CA 1.379 57.611 56.048 0.308 0.000 1.315 9 H CB -0.698 29.123 29.762 0.098 0.000 1.382 9 H HN 0.427 nan 8.280 nan 0.000 0.523 10 L N 0.515 121.656 121.223 -0.136 0.000 2.622 10 L HA 0.040 4.385 4.340 0.009 0.000 0.233 10 L C 1.753 178.622 176.870 -0.001 0.000 1.156 10 L CA 0.247 54.986 54.840 -0.167 0.000 0.866 10 L CB -0.107 41.834 42.059 -0.196 0.000 0.980 10 L HN 0.192 nan 8.230 nan 0.000 0.448 11 L N -2.217 119.055 121.223 0.081 0.000 2.640 11 L HA 0.145 4.491 4.340 0.009 0.000 0.230 11 L C 0.264 177.048 176.870 -0.143 0.000 1.123 11 L CA -0.232 54.581 54.840 -0.046 0.000 0.900 11 L CB -0.050 41.947 42.059 -0.103 0.000 1.146 11 L HN 0.068 nan 8.230 nan 0.000 0.484 12 Y N -1.013 119.288 120.300 0.002 0.000 2.374 12 Y HA 0.302 4.858 4.550 0.010 0.000 0.322 12 Y C 0.994 176.880 175.900 -0.025 0.000 1.275 12 Y CA -0.723 57.376 58.100 -0.002 0.000 1.307 12 Y CB 0.523 39.008 38.460 0.043 0.000 1.282 12 Y HN -0.067 nan 8.280 nan 0.000 0.509 13 H N 1.906 121.122 119.070 0.243 0.000 2.848 13 H HA 0.060 4.622 4.556 0.009 0.000 0.341 13 H C -0.383 175.023 175.328 0.131 0.000 1.060 13 H CA -0.021 56.120 56.048 0.155 0.000 1.444 13 H CB 0.518 30.362 29.762 0.137 0.000 1.446 13 H HN 0.645 nan 8.280 nan 0.000 0.583 14 N N 1.620 120.456 118.700 0.226 0.000 2.379 14 N HA 0.016 4.761 4.740 0.009 0.000 0.260 14 N C 1.523 177.104 175.510 0.119 0.000 1.254 14 N CA -0.004 53.131 53.050 0.140 0.000 0.958 14 N CB 0.386 38.932 38.487 0.099 0.000 1.208 14 N HN 0.657 nan 8.380 nan 0.000 0.532 15 K N 0.005 120.452 120.400 0.079 0.000 2.097 15 K HA -0.129 4.196 4.320 0.009 0.000 0.206 15 K C 2.112 178.739 176.600 0.045 0.000 1.049 15 K CA 1.991 58.311 56.287 0.055 0.000 0.933 15 K CB -1.313 31.212 32.500 0.042 0.000 0.717 15 K HN 0.687 nan 8.250 nan 0.000 0.442 16 S N 0.313 116.043 115.700 0.049 0.000 2.387 16 S HA -0.121 4.355 4.470 0.009 0.000 0.226 16 S C 2.169 176.795 174.600 0.044 0.000 1.026 16 S CA 1.685 59.909 58.200 0.039 0.000 0.972 16 S CB -0.669 62.552 63.200 0.036 0.000 0.814 16 S HN 0.545 nan 8.310 nan 0.000 0.477 17 T N 0.644 115.246 114.554 0.079 0.000 3.113 17 T HA 0.074 4.429 4.350 0.009 0.000 0.263 17 T C 0.735 175.439 174.700 0.007 0.000 1.143 17 T CA 0.593 62.759 62.100 0.109 0.000 1.090 17 T CB -0.733 68.306 68.868 0.285 0.000 0.922 17 T HN 0.442 nan 8.240 nan 0.000 0.521 18 c N 3.143 121.738 118.600 -0.010 0.000 2.694 18 c HA 0.851 5.427 4.570 0.009 0.000 0.517 18 c C 1.035 175.104 174.090 -0.034 0.000 1.184 18 c CA -0.945 55.346 56.329 -0.064 0.000 1.476 18 c CB -2.476 40.018 42.510 -0.027 0.000 1.743 18 c HN 0.685 nan 8.230 nan 0.000 0.612 29 L N 2.756 123.974 121.223 -0.009 0.000 2.468 29 L HA 0.388 4.734 4.340 0.009 0.000 0.253 29 L C -1.420 175.445 176.870 -0.007 0.000 1.237 29 L CA -1.615 53.219 54.840 -0.011 0.000 0.823 29 L CB -0.424 41.624 42.059 -0.018 0.000 1.124 29 L HN 0.356 nan 8.230 nan 0.000 0.504 30 P HA 0.105 nan 4.420 nan 0.000 0.274 30 P C -0.881 176.419 177.300 -0.000 0.000 1.246 30 P CA -0.530 62.567 63.100 -0.005 0.000 0.795 30 P CB 0.362 32.057 31.700 -0.008 0.000 1.006 31 E N 0.442 120.647 120.200 0.009 0.000 2.366 31 E HA 0.122 4.477 4.350 0.009 0.000 0.266 31 E C -0.171 176.444 176.600 0.025 0.000 1.015 31 E CA 0.336 56.753 56.400 0.028 0.000 0.906 31 E CB 0.281 30.002 29.700 0.034 0.000 0.979 31 E HN 0.305 nan 8.360 nan 0.000 0.443 32 S N 1.869 117.589 115.700 0.034 0.000 2.584 32 S HA 0.412 4.887 4.470 0.009 0.000 0.273 32 S C 0.488 175.160 174.600 0.120 0.000 1.311 32 S CA -0.597 57.626 58.200 0.038 0.000 1.034 32 S CB 1.147 64.329 63.200 -0.031 0.000 0.939 32 S HN 0.633 nan 8.310 nan 0.000 0.513 33 T N -0.456 114.173 114.554 0.124 0.000 2.838 33 T HA 0.847 5.202 4.350 0.009 0.000 0.292 33 T C -1.054 173.810 174.700 0.273 0.000 1.113 33 T CA -0.910 61.293 62.100 0.171 0.000 1.008 33 T CB 1.275 70.145 68.868 0.003 0.000 1.259 33 T HN 0.627 nan 8.240 nan 0.000 0.520 34 F N -1.630 118.317 119.950 -0.005 0.000 2.693 34 F HA 0.765 5.298 4.527 0.009 0.000 0.309 34 F C -1.067 174.729 175.800 -0.006 0.000 1.129 34 F CA -1.261 56.739 58.000 0.000 0.000 0.948 34 F CB 1.512 40.526 39.000 0.024 0.000 1.315 34 F HN 0.830 nan 8.300 nan 0.000 0.447 35 E N 3.415 123.594 120.200 -0.035 0.000 2.115 35 E HA 0.467 4.823 4.350 0.009 0.000 0.282 35 E C -2.541 174.057 176.600 -0.003 0.000 0.987 35 E CA -2.133 54.201 56.400 -0.110 0.000 0.797 35 E CB 1.027 30.716 29.700 -0.018 0.000 1.086 35 E HN 0.430 nan 8.360 nan 0.000 0.397 36 P HA -0.072 nan 4.420 nan 0.000 0.268 36 P C -0.510 176.837 177.300 0.078 0.000 1.208 36 P CA -0.336 62.807 63.100 0.072 0.000 0.777 36 P CB 0.444 32.134 31.700 -0.017 0.000 0.875 37 V N -0.133 119.841 119.914 0.101 0.000 3.096 37 V HA 0.276 4.401 4.120 0.009 0.000 0.306 37 V C -2.341 173.771 176.094 0.030 0.000 1.088 37 V CA -1.833 60.507 62.300 0.067 0.000 1.129 37 V CB -0.803 31.065 31.823 0.074 0.000 1.014 37 V HN 0.400 nan 8.190 nan 0.000 0.486 38 P HA 0.212 nan 4.420 nan 0.000 0.268 38 P C 0.924 178.214 177.300 -0.017 0.000 1.205 38 P CA 0.056 63.160 63.100 0.007 0.000 0.771 38 P CB 0.487 32.196 31.700 0.016 0.000 0.858 39 I N 1.957 122.490 120.570 -0.062 0.000 2.399 39 I HA -0.367 3.808 4.170 0.009 0.000 0.254 39 I C 1.584 177.687 176.117 -0.023 0.000 1.146 39 I CA 1.726 62.928 61.300 -0.164 0.000 1.412 39 I CB 0.068 37.957 38.000 -0.184 0.000 1.076 39 I HN 0.345 nan 8.210 nan 0.000 0.432 40 Q N 1.360 121.169 119.800 0.015 0.000 2.234 40 Q HA -0.001 4.345 4.340 0.009 0.000 0.206 40 Q C 1.035 177.077 176.000 0.071 0.000 0.980 40 Q CA 1.004 56.835 55.803 0.047 0.000 0.869 40 Q CB -0.674 28.081 28.738 0.029 0.000 0.912 40 Q HN 0.615 nan 8.270 nan 0.000 0.436 41 A N 1.477 124.338 122.820 0.069 0.000 2.580 41 A HA -0.066 4.259 4.320 0.009 0.000 0.244 41 A C -0.031 177.622 177.584 0.116 0.000 1.045 41 A CA 0.066 52.153 52.037 0.083 0.000 0.761 41 A CB -0.158 18.892 19.000 0.083 0.000 0.962 41 A HN 0.191 nan 8.150 nan 0.000 0.512 42 K N 1.729 122.178 120.400 0.083 0.000 2.491 42 K HA 0.164 4.490 4.320 0.009 0.000 0.279 42 K C -0.450 176.204 176.600 0.090 0.000 1.026 42 K CA 0.954 57.284 56.287 0.071 0.000 1.070 42 K CB 0.127 32.652 32.500 0.043 0.000 0.887 42 K HN 0.735 nan 8.250 nan 0.000 0.481 43 T N 2.187 116.788 114.554 0.079 0.000 2.921 43 T HA 0.174 4.529 4.350 0.009 0.000 0.297 43 T C -0.933 173.778 174.700 0.019 0.000 1.013 43 T CA -0.805 61.353 62.100 0.096 0.000 0.990 43 T CB 1.632 70.605 68.868 0.175 0.000 1.023 43 T HN 0.427 nan 8.240 nan 0.000 0.447 44 S N 4.864 120.592 115.700 0.047 0.000 2.549 44 S HA 0.351 4.826 4.470 0.009 0.000 0.279 44 S C -1.900 172.691 174.600 -0.015 0.000 1.321 44 S CA -0.922 57.285 58.200 0.012 0.000 1.054 44 S CB 0.038 63.256 63.200 0.029 0.000 0.899 44 S HN 0.555 nan 8.310 nan 0.000 0.497 45 P HA 0.175 nan 4.420 nan 0.000 0.275 45 P C -0.464 176.793 177.300 -0.072 0.000 1.228 45 P CA -0.444 62.571 63.100 -0.142 0.000 0.786 45 P CB 0.376 31.993 31.700 -0.139 0.000 0.927 46 V N 3.179 123.025 119.914 -0.114 0.000 2.872 46 V HA 0.004 4.130 4.120 0.009 0.000 0.307 46 V C 1.083 177.180 176.094 0.004 0.000 1.072 46 V CA 0.284 62.578 62.300 -0.011 0.000 1.148 46 V CB -0.200 31.586 31.823 -0.062 0.000 0.954 46 V HN 0.681 nan 8.190 nan 0.000 0.490 47 N N 2.735 121.466 118.700 0.052 0.000 2.443 47 N HA 0.224 4.970 4.740 0.009 0.000 0.269 47 N C 0.664 176.237 175.510 0.106 0.000 0.985 47 N CA -0.447 52.642 53.050 0.065 0.000 0.921 47 N CB 1.858 40.371 38.487 0.043 0.000 1.195 47 N HN 0.710 nan 8.380 nan 0.000 0.492 48 E N 2.164 122.451 120.200 0.145 0.000 2.152 48 E HA -0.150 4.206 4.350 0.009 0.000 0.192 48 E C 1.019 177.695 176.600 0.127 0.000 0.983 48 E CA 0.917 57.421 56.400 0.174 0.000 0.818 48 E CB 0.426 30.256 29.700 0.215 0.000 0.758 48 E HN 0.555 nan 8.360 nan 0.000 0.467 49 K N 0.448 120.896 120.400 0.079 0.000 2.167 49 K HA -0.057 4.269 4.320 0.009 0.000 0.203 49 K C 2.046 178.701 176.600 0.092 0.000 1.052 49 K CA 1.166 57.487 56.287 0.057 0.000 0.956 49 K CB 0.189 32.691 32.500 0.002 0.000 0.735 49 K HN -0.040 nan 8.250 nan 0.000 0.451 50 T N 1.629 116.227 114.554 0.073 0.000 2.674 50 T HA -0.137 4.219 4.350 0.009 0.000 0.265 50 T C 1.590 176.332 174.700 0.070 0.000 1.039 50 T CA 1.188 63.325 62.100 0.061 0.000 1.150 50 T CB -0.181 68.712 68.868 0.042 0.000 0.864 50 T HN 0.037 nan 8.240 nan 0.000 0.427 51 L N 0.778 122.050 121.223 0.081 0.000 2.042 51 L HA -0.118 4.228 4.340 0.009 0.000 0.210 51 L C 2.399 179.314 176.870 0.076 0.000 1.076 51 L CA 1.636 56.519 54.840 0.072 0.000 0.749 51 L CB -1.105 41.009 42.059 0.092 0.000 0.893 51 L HN 0.440 nan 8.230 nan 0.000 0.432 52 H N -0.023 119.059 119.070 0.019 0.000 2.293 52 H HA -0.156 4.405 4.556 0.009 0.000 0.300 52 H C 1.470 176.799 175.328 0.002 0.000 1.082 52 H CA 1.906 57.957 56.048 0.005 0.000 1.308 52 H CB 0.164 29.922 29.762 -0.008 0.000 1.375 52 H HN 0.339 nan 8.280 nan 0.000 0.495 53 D N 0.356 120.869 120.400 0.187 0.000 2.269 53 D HA -0.095 4.550 4.640 0.009 0.000 0.208 53 D C 2.221 178.536 176.300 0.026 0.000 0.963 53 D CA 0.566 54.641 54.000 0.125 0.000 0.864 53 D CB 0.072 40.942 40.800 0.117 0.000 0.936 53 D HN 0.584 nan 8.370 nan 0.000 0.505 54 Q N 0.024 119.829 119.800 0.009 0.000 2.049 54 Q HA -0.071 4.274 4.340 0.009 0.000 0.198 54 Q C 2.133 178.110 176.000 -0.038 0.000 0.971 54 Q CA 0.420 56.217 55.803 -0.010 0.000 0.833 54 Q CB -0.035 28.700 28.738 -0.005 0.000 0.896 54 Q HN 0.118 nan 8.270 nan 0.000 0.434 55 L N 0.393 121.573 121.223 -0.071 0.000 2.191 55 L HA -0.131 4.215 4.340 0.009 0.000 0.212 55 L C 1.932 178.727 176.870 -0.125 0.000 1.103 55 L CA 1.329 56.109 54.840 -0.099 0.000 0.769 55 L CB -0.284 41.694 42.059 -0.134 0.000 0.908 55 L HN 0.011 nan 8.230 nan 0.000 0.438 56 V N -0.859 118.960 119.914 -0.159 0.000 2.427 56 V HA -0.264 3.862 4.120 0.009 0.000 0.248 56 V C 2.496 178.561 176.094 -0.047 0.000 1.051 56 V CA 1.600 63.832 62.300 -0.114 0.000 1.048 56 V CB -0.380 31.394 31.823 -0.082 0.000 0.666 56 V HN 0.400 nan 8.190 nan 0.000 0.456 57 L N -0.040 121.164 121.223 -0.032 0.000 1.955 57 L HA -0.209 4.137 4.340 0.009 0.000 0.213 57 L C 2.787 179.648 176.870 -0.015 0.000 1.072 57 L CA 1.901 56.732 54.840 -0.015 0.000 0.755 57 L CB -0.829 41.225 42.059 -0.009 0.000 0.888 57 L HN 0.352 nan 8.230 nan 0.000 0.432 58 A N -0.104 122.705 122.820 -0.018 0.000 1.884 58 A HA -0.350 3.976 4.320 0.009 0.000 0.219 58 A C 2.476 180.053 177.584 -0.011 0.000 1.197 58 A CA 2.462 54.492 52.037 -0.011 0.000 0.637 58 A CB -1.170 17.823 19.000 -0.011 0.000 0.827 58 A HN 0.517 nan 8.150 nan 0.000 0.450 59 A N -0.565 122.242 122.820 -0.022 0.000 1.940 59 A HA -0.270 4.056 4.320 0.009 0.000 0.221 59 A C 1.875 179.454 177.584 -0.009 0.000 1.190 59 A CA 2.026 54.052 52.037 -0.019 0.000 0.647 59 A CB -0.611 18.368 19.000 -0.035 0.000 0.821 59 A HN 0.710 nan 8.150 nan 0.000 0.457 60 E N -0.789 119.405 120.200 -0.009 0.000 2.478 60 E HA -0.059 4.297 4.350 0.009 0.000 0.194 60 E C 1.140 177.740 176.600 0.001 0.000 1.045 60 E CA 0.865 57.264 56.400 -0.002 0.000 0.868 60 E CB 0.035 29.735 29.700 -0.001 0.000 0.885 60 E HN 0.879 nan 8.360 nan 0.000 0.505 61 K N 0.538 120.938 120.400 0.000 0.000 2.437 61 K HA 0.196 4.522 4.320 0.009 0.000 0.205 61 K C 0.081 176.684 176.600 0.004 0.000 1.026 61 K CA -0.126 56.162 56.287 0.003 0.000 1.153 61 K CB 0.145 32.646 32.500 0.002 0.000 0.863 61 K HN -0.060 nan 8.250 nan 0.000 0.502 62 L N 2.603 123.828 121.223 0.004 0.000 2.360 62 L HA 0.144 4.489 4.340 0.009 0.000 0.276 62 L C 0.588 177.462 176.870 0.006 0.000 1.121 62 L CA -0.318 54.525 54.840 0.005 0.000 0.845 62 L CB 0.535 42.596 42.059 0.005 0.000 1.143 62 L HN 0.221 nan 8.230 nan 0.000 0.452 63 E N 1.782 121.986 120.200 0.007 0.000 2.622 63 E HA 0.050 4.405 4.350 0.009 0.000 0.255 63 E C 0.348 176.954 176.600 0.009 0.000 1.313 63 E CA -0.491 55.914 56.400 0.008 0.000 1.011 63 E CB 0.621 30.326 29.700 0.008 0.000 1.173 63 E HN 0.484 nan 8.360 nan 0.000 0.601 64 D N 0.819 121.225 120.400 0.011 0.000 2.123 64 D HA -0.159 4.487 4.640 0.009 0.000 0.196 64 D C 1.515 177.824 176.300 0.015 0.000 0.992 64 D CA 1.048 55.056 54.000 0.014 0.000 0.833 64 D CB 0.159 40.969 40.800 0.016 0.000 0.954 64 D HN 0.349 nan 8.370 nan 0.000 0.455 65 E N 1.006 121.213 120.200 0.011 0.000 2.070 65 E HA -0.174 4.181 4.350 0.009 0.000 0.197 65 E C 1.672 178.275 176.600 0.004 0.000 1.004 65 E CA 0.938 57.342 56.400 0.006 0.000 0.805 65 E CB -0.198 29.503 29.700 0.000 0.000 0.744 65 E HN 0.426 nan 8.360 nan 0.000 0.451 66 D N 0.071 120.475 120.400 0.006 0.000 2.144 66 D HA -0.138 4.507 4.640 0.009 0.000 0.199 66 D C 2.028 178.333 176.300 0.007 0.000 0.984 66 D CA 0.789 54.792 54.000 0.006 0.000 0.834 66 D CB -0.193 40.611 40.800 0.007 0.000 0.955 66 D HN 0.157 nan 8.370 nan 0.000 0.465 67 R N 0.697 121.203 120.500 0.009 0.000 2.148 67 R HA -0.001 4.345 4.340 0.009 0.000 0.223 67 R C 2.244 178.553 176.300 0.016 0.000 1.088 67 R CA 0.592 56.698 56.100 0.010 0.000 0.985 67 R CB 0.116 30.422 30.300 0.010 0.000 0.880 67 R HN 0.149 nan 8.270 nan 0.000 0.451 68 K N 0.200 120.614 120.400 0.024 0.000 2.062 68 K HA -0.069 4.257 4.320 0.009 0.000 0.205 68 K C 2.154 178.781 176.600 0.045 0.000 1.051 68 K CA 0.961 57.274 56.287 0.042 0.000 0.941 68 K CB 0.001 32.533 32.500 0.054 0.000 0.719 68 K HN 0.079 nan 8.250 nan 0.000 0.440 69 R N 0.523 121.036 120.500 0.023 0.000 2.070 69 R HA -0.124 4.222 4.340 0.009 0.000 0.233 69 R C 2.426 178.727 176.300 0.001 0.000 1.137 69 R CA 1.368 57.477 56.100 0.015 0.000 0.945 69 R CB -0.466 29.834 30.300 -0.000 0.000 0.845 69 R HN 0.188 nan 8.270 nan 0.000 0.430 70 A N 1.288 124.104 122.820 -0.006 0.000 1.884 70 A HA -0.270 4.056 4.320 0.009 0.000 0.219 70 A C 2.384 179.946 177.584 -0.037 0.000 1.197 70 A CA 2.246 54.267 52.037 -0.025 0.000 0.637 70 A CB -0.919 18.071 19.000 -0.016 0.000 0.827 70 A HN 0.478 nan 8.150 nan 0.000 0.450 71 A N -1.180 121.636 122.820 -0.006 0.000 1.908 71 A HA -0.231 4.094 4.320 0.009 0.000 0.218 71 A C 2.145 179.747 177.584 0.030 0.000 1.181 71 A CA 1.822 53.864 52.037 0.008 0.000 0.627 71 A CB -0.571 18.449 19.000 0.033 0.000 0.818 71 A HN 0.705 nan 8.150 nan 0.000 0.445 72 Q N -1.094 118.745 119.800 0.065 0.000 2.046 72 Q HA -0.073 4.272 4.340 0.009 0.000 0.200 72 Q C 2.163 178.119 176.000 -0.073 0.000 0.975 72 Q CA 1.397 57.291 55.803 0.151 0.000 0.836 72 Q CB -0.399 28.487 28.738 0.247 0.000 0.896 72 Q HN 0.465 nan 8.270 nan 0.000 0.428 73 V N 0.856 120.681 119.914 -0.148 0.000 2.407 73 V HA -0.236 3.890 4.120 0.009 0.000 0.248 73 V C 2.099 177.948 176.094 -0.409 0.000 1.055 73 V CA 1.821 63.929 62.300 -0.321 0.000 1.049 73 V CB -0.598 31.094 31.823 -0.219 0.000 0.662 73 V HN 0.424 nan 8.190 nan 0.000 0.455 74 A N -0.605 122.062 122.820 -0.254 0.000 1.948 74 A HA -0.285 4.041 4.320 0.009 0.000 0.220 74 A C 2.208 179.658 177.584 -0.223 0.000 1.177 74 A CA 2.535 54.426 52.037 -0.242 0.000 0.636 74 A CB -0.503 18.408 19.000 -0.148 0.000 0.815 74 A HN 0.582 nan 8.150 nan 0.000 0.449 75 M N -0.850 118.657 119.600 -0.156 0.000 2.132 75 M HA -0.051 4.435 4.480 0.009 0.000 0.263 75 M C 2.069 178.272 176.300 -0.162 0.000 1.065 75 M CA 1.422 56.688 55.300 -0.058 0.000 1.122 75 M CB -0.456 32.230 32.600 0.144 0.000 1.365 75 M HN 0.415 nan 8.290 nan 0.000 0.411 76 I N -0.512 119.777 120.570 -0.468 0.000 2.226 76 I HA -0.244 3.932 4.170 0.009 0.000 0.245 76 I C 2.243 178.096 176.117 -0.439 0.000 1.100 76 I CA 1.250 62.255 61.300 -0.491 0.000 1.374 76 I CB -0.920 36.643 38.000 -0.728 0.000 1.057 76 I HN 0.293 nan 8.210 nan 0.000 0.413 77 T N 1.063 115.194 114.554 -0.706 0.000 2.720 77 T HA -0.150 4.206 4.350 0.009 0.000 0.268 77 T C 1.707 176.210 174.700 -0.328 0.000 1.037 77 T CA 1.619 63.329 62.100 -0.650 0.000 1.144 77 T CB -0.317 68.188 68.868 -0.605 0.000 0.864 77 T HN 0.321 nan 8.240 nan 0.000 0.444 78 N N 0.790 119.344 118.700 -0.243 0.000 2.135 78 N HA 0.006 4.752 4.740 0.009 0.000 0.186 78 N C 1.537 177.007 175.510 -0.067 0.000 1.027 78 N CA 0.761 53.675 53.050 -0.226 0.000 0.849 78 N CB -0.792 37.656 38.487 -0.065 0.000 1.002 78 N HN 0.402 nan 8.380 nan 0.000 0.425 79 F N 1.737 121.691 119.950 0.007 0.000 2.063 79 F HA -0.214 4.319 4.527 0.011 0.000 0.298 79 F C 2.262 178.119 175.800 0.094 0.000 1.109 79 F CA 1.303 59.383 58.000 0.135 0.000 1.212 79 F CB -0.542 38.509 39.000 0.086 0.000 0.973 79 F HN -0.128 nan 8.300 nan 0.000 0.480 80 V N 0.571 120.540 119.914 0.092 0.000 2.759 80 V HA -0.098 4.027 4.120 0.009 0.000 0.256 80 V C 2.414 178.444 176.094 -0.105 0.000 1.080 80 V CA 1.817 64.115 62.300 -0.003 0.000 1.101 80 V CB -1.014 30.938 31.823 0.215 0.000 0.698 80 V HN 0.592 nan 8.190 nan 0.000 0.477 81 G N -0.679 108.010 108.800 -0.185 0.000 2.433 81 G HA2 -0.235 3.731 3.960 0.009 0.000 0.216 81 G HA3 -0.235 3.731 3.960 0.009 0.000 0.216 81 G C 1.370 176.102 174.900 -0.280 0.000 1.186 81 G CA 1.074 45.998 45.100 -0.292 0.000 0.779 81 G HN 0.493 nan 8.290 nan 0.000 0.543 82 F N 0.761 120.606 119.950 -0.175 0.000 2.102 82 F HA 0.067 4.599 4.527 0.008 0.000 0.298 82 F C 2.722 178.440 175.800 -0.136 0.000 1.105 82 F CA 1.265 59.179 58.000 -0.144 0.000 1.239 82 F CB -0.690 38.227 39.000 -0.140 0.000 0.991 82 F HN 0.005 nan 8.300 nan 0.000 0.474 83 R N -0.031 120.408 120.500 -0.103 0.000 2.113 83 R HA -0.215 4.131 4.340 0.009 0.000 0.244 83 R C 2.117 178.372 176.300 -0.075 0.000 1.142 83 R CA 1.885 57.870 56.100 -0.193 0.000 0.953 83 R CB -0.349 29.707 30.300 -0.407 0.000 0.860 83 R HN 0.113 nan 8.270 nan 0.000 0.438 84 M N -1.405 118.159 119.600 -0.060 0.000 2.288 84 M HA -0.087 4.399 4.480 0.009 0.000 0.266 84 M C 1.900 178.167 176.300 -0.055 0.000 1.072 84 M CA 1.154 56.424 55.300 -0.050 0.000 1.132 84 M CB -0.789 31.793 32.600 -0.030 0.000 1.386 84 M HN 0.198 nan 8.290 nan 0.000 0.432 85 Y N 1.556 121.775 120.300 -0.135 0.000 2.181 85 Y HA -0.259 4.297 4.550 0.009 0.000 0.288 85 Y C 2.578 178.429 175.900 -0.082 0.000 1.146 85 Y CA 2.062 60.081 58.100 -0.135 0.000 1.164 85 Y CB -0.217 38.165 38.460 -0.131 0.000 0.982 85 Y HN 0.158 nan 8.280 nan 0.000 0.515 86 K N -0.566 119.868 120.400 0.057 0.000 2.032 86 K HA -0.219 4.106 4.320 0.009 0.000 0.209 86 K C 1.937 178.472 176.600 -0.107 0.000 1.048 86 K CA 1.929 58.209 56.287 -0.012 0.000 0.927 86 K CB -0.164 32.355 32.500 0.032 0.000 0.712 86 K HN 0.279 nan 8.250 nan 0.000 0.441 87 M N 0.706 120.245 119.600 -0.103 0.000 2.159 87 M HA -0.152 4.333 4.480 0.009 0.000 0.263 87 M C 2.273 178.468 176.300 -0.175 0.000 1.063 87 M CA 1.015 56.246 55.300 -0.114 0.000 1.110 87 M CB -1.067 31.480 32.600 -0.089 0.000 1.374 87 M HN 0.226 nan 8.290 nan 0.000 0.411 88 L N 1.612 122.673 121.223 -0.270 0.000 1.989 88 L HA -0.214 4.132 4.340 0.009 0.000 0.211 88 L C 1.997 178.676 176.870 -0.318 0.000 1.071 88 L CA 1.945 56.562 54.840 -0.371 0.000 0.749 88 L CB -0.941 40.777 42.059 -0.568 0.000 0.890 88 L HN 0.290 nan 8.230 nan 0.000 0.431 89 N N -0.256 118.230 118.700 -0.357 0.000 2.244 89 N HA -0.166 4.580 4.740 0.009 0.000 0.183 89 N C 1.732 177.151 175.510 -0.153 0.000 1.016 89 N CA 1.399 54.294 53.050 -0.258 0.000 0.866 89 N CB -0.164 38.164 38.487 -0.265 0.000 0.980 89 N HN 0.580 nan 8.380 nan 0.000 0.430 90 E N 0.803 120.922 120.200 -0.134 0.000 2.072 90 E HA -0.048 4.307 4.350 0.009 0.000 0.191 90 E C 1.900 178.454 176.600 -0.078 0.000 0.985 90 E CA 0.913 57.261 56.400 -0.087 0.000 0.801 90 E CB -0.029 29.628 29.700 -0.071 0.000 0.750 90 E HN 0.328 nan 8.360 nan 0.000 0.452 91 A N 0.938 123.702 122.820 -0.093 0.000 1.930 91 A HA 0.110 4.435 4.320 0.009 0.000 0.217 91 A C 1.207 178.752 177.584 -0.065 0.000 1.175 91 A CA 1.330 53.323 52.037 -0.073 0.000 0.627 91 A CB -0.337 18.615 19.000 -0.079 0.000 0.815 91 A HN 0.325 nan 8.150 nan 0.000 0.443 92 G N -1.700 107.047 108.800 -0.087 0.000 3.226 92 G HA2 0.193 4.158 3.960 0.009 0.000 0.685 92 G HA3 0.193 4.158 3.960 0.009 0.000 0.685 92 G C 0.105 174.961 174.900 -0.074 0.000 1.207 92 G CA 0.245 45.303 45.100 -0.069 0.000 0.877 92 G HN 1.176 nan 8.290 nan 0.000 0.585 93 S N 0.636 116.290 115.700 -0.077 0.000 2.559 93 S HA 0.643 5.118 4.470 0.009 0.000 0.226 93 S C 1.456 176.049 174.600 -0.010 0.000 1.000 93 S CA 0.768 58.931 58.200 -0.062 0.000 0.948 93 S CB 0.894 64.024 63.200 -0.116 0.000 0.870 93 S HN 2.801 nan 8.310 nan 0.000 0.497 94 G N 0.761 109.555 108.800 -0.009 0.000 2.662 94 G HA2 0.237 4.203 3.960 0.009 0.000 0.686 94 G HA3 0.237 4.203 3.960 0.009 0.000 0.686 94 G C 0.555 175.458 174.900 0.006 0.000 1.271 94 G CA -0.416 44.688 45.100 0.006 0.000 0.816 94 G HN 0.918 nan 8.290 nan 0.000 0.608 95 A N -0.001 122.825 122.820 0.010 0.000 1.969 95 A HA 0.211 4.537 4.320 0.009 0.000 0.218 95 A C 2.722 180.315 177.584 0.014 0.000 1.169 95 A CA 2.870 54.914 52.037 0.012 0.000 0.635 95 A CB -0.743 18.265 19.000 0.012 0.000 0.810 95 A HN 2.165 nan 8.150 nan 0.000 0.445 96 S N -1.472 114.235 115.700 0.012 0.000 2.423 96 S HA 0.368 4.843 4.470 0.009 0.000 0.231 96 S C 1.218 175.818 174.600 0.001 0.000 1.014 96 S CA 1.034 59.235 58.200 0.001 0.000 0.965 96 S CB -0.387 62.812 63.200 -0.000 0.000 0.785 96 S HN 1.653 nan 8.310 nan 0.000 0.495 97 G N 0.439 109.250 108.800 0.019 0.000 2.366 97 G HA2 0.509 4.475 3.960 0.009 0.000 0.190 97 G HA3 0.509 4.475 3.960 0.009 0.000 0.190 97 G C -1.572 173.361 174.900 0.055 0.000 1.299 97 G CA -0.218 44.904 45.100 0.036 0.000 1.056 97 G HN 1.242 nan 8.290 nan 0.000 0.468 98 A N -0.897 121.990 122.820 0.111 0.000 2.577 98 A HA 0.838 5.164 4.320 0.009 0.000 0.297 98 A C -1.398 176.335 177.584 0.248 0.000 1.060 98 A CA 0.248 52.358 52.037 0.122 0.000 0.697 98 A CB 1.427 20.426 19.000 -0.001 0.000 1.281 98 A HN 2.125 nan 8.150 nan 0.000 0.402 99 I N 1.407 122.137 120.570 0.266 0.000 2.827 99 I HA 0.829 5.005 4.170 0.009 0.000 0.298 99 I C -1.960 174.380 176.117 0.371 0.000 1.235 99 I CA -1.077 60.416 61.300 0.323 0.000 1.021 99 I CB 1.984 40.190 38.000 0.343 0.000 1.259 99 I HN 0.909 nan 8.210 nan 0.000 0.427 100 L N 5.280 126.698 121.223 0.324 0.000 2.545 100 L HA 0.516 4.862 4.340 0.009 0.000 0.258 100 L C -1.641 175.318 176.870 0.149 0.000 0.942 100 L CA -0.210 54.818 54.840 0.312 0.000 0.855 100 L CB 2.233 44.429 42.059 0.228 0.000 1.374 100 L HN 0.591 nan 8.230 nan 0.000 0.411 101 S N 4.760 120.511 115.700 0.085 0.000 2.577 101 S HA 0.495 4.971 4.470 0.009 0.000 0.294 101 S C -2.029 172.474 174.600 -0.162 0.000 1.161 101 S CA -1.538 56.527 58.200 -0.225 0.000 1.143 101 S CB 1.118 64.150 63.200 -0.280 0.000 0.991 101 S HN 0.569 nan 8.310 nan 0.000 0.475 102 P HA -0.075 nan 4.420 nan 0.000 0.216 102 P C -1.700 175.539 177.300 -0.102 0.000 1.153 102 P CA 1.306 64.293 63.100 -0.188 0.000 0.858 102 P CB -0.711 30.795 31.700 -0.323 0.000 0.789 103 P HA -0.136 nan 4.420 nan 0.000 0.216 103 P C 1.481 178.868 177.300 0.145 0.000 1.153 103 P CA 1.941 65.031 63.100 -0.017 0.000 0.848 103 P CB -0.644 31.031 31.700 -0.041 0.000 0.787 104 A N -0.104 122.799 122.820 0.138 0.000 1.902 104 A HA -0.157 4.168 4.320 0.009 0.000 0.217 104 A C 2.159 179.869 177.584 0.210 0.000 1.181 104 A CA 1.243 53.457 52.037 0.295 0.000 0.623 104 A CB -1.698 17.436 19.000 0.224 0.000 0.818 104 A HN 0.099 nan 8.150 nan 0.000 0.443 105 L N -1.209 120.087 121.223 0.122 0.000 1.994 105 L HA -0.141 4.204 4.340 0.009 0.000 0.208 105 L C 2.309 179.198 176.870 0.033 0.000 1.071 105 L CA 2.432 57.326 54.840 0.090 0.000 0.745 105 L CB -1.382 40.734 42.059 0.095 0.000 0.892 105 L HN 0.498 nan 8.230 nan 0.000 0.431 106 F N 0.613 120.501 119.950 -0.103 0.000 2.154 106 F HA -0.189 4.343 4.527 0.008 0.000 0.301 106 F C 2.213 177.861 175.800 -0.253 0.000 1.087 106 F CA 1.718 59.625 58.000 -0.154 0.000 1.274 106 F CB -0.405 38.503 39.000 -0.155 0.000 1.009 106 F HN 0.186 nan 8.300 nan 0.000 0.485 107 G N -0.909 107.710 108.800 -0.302 0.000 2.421 107 G HA2 -0.253 3.712 3.960 0.009 0.000 0.216 107 G HA3 -0.253 3.712 3.960 0.009 0.000 0.216 107 G C 1.596 175.920 174.900 -0.959 0.000 1.171 107 G CA 1.345 45.860 45.100 -0.975 0.000 0.775 107 G HN 0.384 nan 8.290 nan 0.000 0.543 108 T N 1.545 115.811 114.554 -0.481 0.000 2.746 108 T HA -0.043 4.312 4.350 0.009 0.000 0.267 108 T C 2.435 176.994 174.700 -0.236 0.000 1.039 108 T CA 0.997 62.948 62.100 -0.248 0.000 1.142 108 T CB -0.216 68.645 68.868 -0.011 0.000 0.866 108 T HN 0.156 nan 8.240 nan 0.000 0.444 109 L N 0.706 121.770 121.223 -0.266 0.000 2.017 109 L HA -0.079 4.267 4.340 0.009 0.000 0.208 109 L C 2.711 179.442 176.870 -0.231 0.000 1.073 109 L CA 0.951 55.653 54.840 -0.231 0.000 0.745 109 L CB -0.750 41.136 42.059 -0.288 0.000 0.894 109 L HN 0.133 nan 8.230 nan 0.000 0.432 110 V N -1.240 118.393 119.914 -0.469 0.000 2.515 110 V HA -0.251 3.875 4.120 0.009 0.000 0.250 110 V C 2.600 178.600 176.094 -0.158 0.000 1.058 110 V CA 1.713 63.785 62.300 -0.380 0.000 1.064 110 V CB -0.254 31.206 31.823 -0.606 0.000 0.675 110 V HN 0.343 nan 8.190 nan 0.000 0.461 111 S N -0.254 115.300 115.700 -0.244 0.000 2.351 111 S HA -0.198 4.278 4.470 0.009 0.000 0.220 111 S C 1.775 176.367 174.600 -0.012 0.000 1.035 111 S CA 1.923 60.039 58.200 -0.140 0.000 1.031 111 S CB -0.443 62.675 63.200 -0.137 0.000 0.928 111 S HN 0.545 nan 8.310 nan 0.000 0.433 112 F N 0.171 120.044 119.950 -0.129 0.000 2.161 112 F HA -0.128 4.405 4.527 0.009 0.000 0.300 112 F C 2.185 177.999 175.800 0.024 0.000 1.089 112 F CA 1.441 59.409 58.000 -0.053 0.000 1.282 112 F CB -0.566 38.331 39.000 -0.171 0.000 1.010 112 F HN 0.301 nan 8.300 nan 0.000 0.485 113 Y N 0.391 120.719 120.300 0.047 0.000 2.224 113 Y HA -0.200 4.355 4.550 0.009 0.000 0.289 113 Y C 1.967 177.881 175.900 0.022 0.000 1.146 113 Y CA 1.426 59.526 58.100 0.001 0.000 1.182 113 Y CB -0.558 37.852 38.460 -0.083 0.000 0.983 113 Y HN 0.015 nan 8.280 nan 0.000 0.524 114 L N -0.562 120.638 121.223 -0.037 0.000 2.201 114 L HA -0.109 4.236 4.340 0.009 0.000 0.212 114 L C 2.488 179.376 176.870 0.030 0.000 1.105 114 L CA 1.216 56.009 54.840 -0.079 0.000 0.775 114 L CB -0.812 41.228 42.059 -0.032 0.000 0.913 114 L HN 0.415 nan 8.230 nan 0.000 0.440 115 G N -1.074 107.780 108.800 0.091 0.000 2.712 115 G HA2 -0.069 3.897 3.960 0.009 0.000 0.212 115 G HA3 -0.069 3.897 3.960 0.009 0.000 0.212 115 G C 0.710 175.530 174.900 -0.134 0.000 1.142 115 G CA 0.479 45.495 45.100 -0.139 0.000 0.789 115 G HN 0.411 nan 8.290 nan 0.000 0.535 116 S N -0.559 115.083 115.700 -0.096 0.000 2.672 116 S HA 0.777 5.253 4.470 0.009 0.000 0.276 116 S C -0.374 174.169 174.600 -0.096 0.000 1.207 116 S CA -0.736 57.424 58.200 -0.066 0.000 1.002 116 S CB 1.932 65.130 63.200 -0.002 0.000 0.998 116 S HN 0.046 nan 8.310 nan 0.000 0.542 117 L N 0.281 121.475 121.223 -0.049 0.000 2.257 117 L HA 0.555 4.900 4.340 0.009 0.000 0.257 117 L C -0.545 176.322 176.870 -0.004 0.000 1.033 117 L CA -1.301 53.516 54.840 -0.038 0.000 0.835 117 L CB 1.214 43.257 42.059 -0.027 0.000 1.398 117 L HN 0.566 nan 8.230 nan 0.000 0.429 118 D N 1.409 121.814 120.400 0.008 0.000 2.399 118 D HA 0.095 4.741 4.640 0.009 0.000 0.241 118 D C -1.474 174.837 176.300 0.019 0.000 1.133 118 D CA -0.972 53.043 54.000 0.026 0.000 0.890 118 D CB 1.010 41.828 40.800 0.030 0.000 1.201 118 D HN 0.304 nan 8.370 nan 0.000 0.432 119 P HA -0.071 nan 4.420 nan 0.000 0.227 119 P C 0.980 178.306 177.300 0.043 0.000 1.161 119 P CA 0.764 63.883 63.100 0.033 0.000 0.788 119 P CB 0.116 31.832 31.700 0.026 0.000 0.822 120 T N -0.697 113.881 114.554 0.039 0.000 2.720 120 T HA -0.138 4.218 4.350 0.009 0.000 0.268 120 T C 2.109 176.862 174.700 0.089 0.000 1.037 120 T CA 1.448 63.578 62.100 0.050 0.000 1.144 120 T CB -1.131 67.763 68.868 0.043 0.000 0.864 120 T HN 0.062 nan 8.240 nan 0.000 0.444 121 A N 2.276 125.154 122.820 0.097 0.000 1.933 121 A HA -0.067 4.259 4.320 0.009 0.000 0.218 121 A C 2.681 180.421 177.584 0.260 0.000 1.175 121 A CA 2.067 54.218 52.037 0.191 0.000 0.628 121 A CB -0.936 18.099 19.000 0.058 0.000 0.814 121 A HN 0.688 nan 8.150 nan 0.000 0.444 122 S N -0.503 115.290 115.700 0.155 0.000 2.414 122 S HA -0.144 4.332 4.470 0.009 0.000 0.227 122 S C 1.899 176.552 174.600 0.088 0.000 1.022 122 S CA 1.028 59.304 58.200 0.126 0.000 0.958 122 S CB -0.390 62.867 63.200 0.094 0.000 0.797 122 S HN 0.685 nan 8.310 nan 0.000 0.493 123 Q N 1.024 120.869 119.800 0.075 0.000 2.079 123 Q HA 0.088 4.433 4.340 0.009 0.000 0.200 123 Q C 2.180 178.206 176.000 0.044 0.000 0.974 123 Q CA 1.258 57.093 55.803 0.052 0.000 0.840 123 Q CB -0.471 28.291 28.738 0.040 0.000 0.898 123 Q HN 0.503 nan 8.270 nan 0.000 0.430 124 L N 0.371 121.629 121.223 0.059 0.000 2.083 124 L HA -0.242 4.104 4.340 0.009 0.000 0.209 124 L C 2.601 179.441 176.870 -0.050 0.000 1.083 124 L CA 1.245 56.097 54.840 0.020 0.000 0.752 124 L CB -0.279 41.834 42.059 0.090 0.000 0.899 124 L HN 0.328 nan 8.230 nan 0.000 0.433 125 Q N -0.683 119.092 119.800 -0.042 0.000 2.079 125 Q HA -0.172 4.174 4.340 0.009 0.000 0.200 125 Q C 2.021 178.009 176.000 -0.020 0.000 0.974 125 Q CA 1.896 57.636 55.803 -0.105 0.000 0.840 125 Q CB 0.125 28.831 28.738 -0.053 0.000 0.898 125 Q HN 0.414 nan 8.270 nan 0.000 0.430 126 T N 1.262 115.832 114.554 0.025 0.000 2.915 126 T HA -0.129 4.227 4.350 0.009 0.000 0.269 126 T C 1.542 176.280 174.700 0.063 0.000 1.071 126 T CA 0.729 62.857 62.100 0.047 0.000 1.132 126 T CB -0.126 68.774 68.868 0.053 0.000 0.878 126 T HN 0.183 nan 8.240 nan 0.000 0.479 127 L N 1.047 122.304 121.223 0.056 0.000 2.201 127 L HA 0.154 4.500 4.340 0.009 0.000 0.212 127 L C 1.536 178.504 176.870 0.163 0.000 1.105 127 L CA 1.498 56.395 54.840 0.095 0.000 0.775 127 L CB -0.535 41.552 42.059 0.047 0.000 0.913 127 L HN 0.271 nan 8.230 nan 0.000 0.440 128 L N -0.689 120.591 121.223 0.095 0.000 2.645 128 L HA 0.126 4.472 4.340 0.009 0.000 0.234 128 L C 0.689 177.551 176.870 -0.013 0.000 1.165 128 L CA 0.297 55.208 54.840 0.120 0.000 0.944 128 L CB -0.783 41.314 42.059 0.063 0.000 1.149 128 L HN 0.225 nan 8.230 nan 0.000 0.446 129 D N 0.468 120.851 120.400 -0.029 0.000 2.983 129 D HA -0.175 4.471 4.640 0.009 0.000 0.225 129 D C -0.359 175.936 176.300 -0.008 0.000 1.174 129 D CA 0.564 54.472 54.000 -0.153 0.000 0.831 129 D CB -0.795 39.577 40.800 -0.713 0.000 1.104 129 D HN 0.089 nan 8.370 nan 0.000 0.421 130 V N 1.398 121.349 119.914 0.061 0.000 2.304 130 V HA 0.399 4.525 4.120 0.009 0.000 0.278 130 V C -1.807 174.367 176.094 0.133 0.000 1.018 130 V CA -1.361 61.037 62.300 0.164 0.000 0.814 130 V CB 1.533 33.436 31.823 0.133 0.000 1.021 130 V HN 0.010 nan 8.190 nan 0.000 0.440 131 P HA 0.042 nan 4.420 nan 0.000 0.267 131 P C -0.490 176.880 177.300 0.117 0.000 1.201 131 P CA 0.139 63.304 63.100 0.109 0.000 0.775 131 P CB 0.541 32.299 31.700 0.098 0.000 0.854 132 V N 3.206 123.176 119.914 0.094 0.000 2.328 132 V HA 0.186 4.312 4.120 0.009 0.000 0.278 132 V C 0.552 176.691 176.094 0.075 0.000 1.021 132 V CA -0.508 61.852 62.300 0.100 0.000 0.838 132 V CB 0.600 32.480 31.823 0.095 0.000 0.999 132 V HN 0.390 nan 8.190 nan 0.000 0.447 133 K N 4.267 124.709 120.400 0.070 0.000 2.338 133 K HA 0.244 4.570 4.320 0.009 0.000 0.290 133 K C 0.148 176.773 176.600 0.042 0.000 1.069 133 K CA -0.156 56.157 56.287 0.043 0.000 0.941 133 K CB 0.792 33.307 32.500 0.026 0.000 1.023 133 K HN 0.665 nan 8.250 nan 0.000 0.477 134 E N 1.221 121.442 120.200 0.034 0.000 2.493 134 E HA -0.048 4.308 4.350 0.009 0.000 0.255 134 E C 0.684 177.299 176.600 0.025 0.000 0.999 134 E CA 0.362 56.780 56.400 0.031 0.000 0.934 134 E CB 0.220 29.935 29.700 0.025 0.000 0.940 134 E HN 0.852 nan 8.360 nan 0.000 0.473 135 G N 3.693 112.509 108.800 0.027 0.000 2.291 135 G HA2 -0.218 3.747 3.960 0.009 0.000 0.271 135 G HA3 -0.218 3.747 3.960 0.009 0.000 0.271 135 G C -0.610 174.304 174.900 0.023 0.000 1.099 135 G CA 0.078 45.190 45.100 0.021 0.000 0.919 135 G HN 0.597 nan 8.290 nan 0.000 0.496 136 D N -1.255 119.165 120.400 0.033 0.000 2.333 136 D HA 0.317 4.962 4.640 0.009 0.000 0.225 136 D C 1.056 177.392 176.300 0.060 0.000 1.345 136 D CA 0.309 54.332 54.000 0.039 0.000 0.971 136 D CB 0.247 41.067 40.800 0.034 0.000 1.451 136 D HN 0.321 nan 8.370 nan 0.000 0.561 137 c N 2.565 121.194 118.600 0.048 0.000 2.450 137 c HA -0.056 4.519 4.570 0.009 0.000 0.279 137 c C 2.452 176.615 174.090 0.123 0.000 1.335 137 c CA 1.721 58.081 56.329 0.051 0.000 1.749 137 c CB -1.197 41.302 42.510 -0.018 0.000 1.963 137 c HN 0.754 nan 8.230 nan 0.000 0.501 138 T N -0.745 113.877 114.554 0.113 0.000 3.098 138 T HA -0.062 4.294 4.350 0.009 0.000 0.266 138 T C 1.293 176.097 174.700 0.173 0.000 1.145 138 T CA 1.370 63.563 62.100 0.156 0.000 1.092 138 T CB -0.679 68.239 68.868 0.084 0.000 0.908 138 T HN 0.740 nan 8.240 nan 0.000 0.526 139 S N 0.441 116.240 115.700 0.164 0.000 2.618 139 S HA 0.361 4.836 4.470 0.009 0.000 0.242 139 S C 0.351 175.177 174.600 0.377 0.000 0.972 139 S CA -0.976 57.349 58.200 0.209 0.000 1.004 139 S CB -0.055 63.198 63.200 0.088 0.000 0.778 139 S HN 0.207 nan 8.310 nan 0.000 0.459 140 R N 0.975 121.721 120.500 0.409 0.000 2.589 140 R HA 0.488 4.834 4.340 0.009 0.000 0.293 140 R C -0.431 176.052 176.300 0.304 0.000 0.963 140 R CA -0.809 55.514 56.100 0.371 0.000 0.905 140 R CB 1.228 31.766 30.300 0.397 0.000 1.144 140 R HN 0.346 nan 8.270 nan 0.000 0.459 141 L N 1.800 123.087 121.223 0.108 0.000 2.416 141 L HA 0.058 4.404 4.340 0.009 0.000 0.272 141 L C 0.835 177.684 176.870 -0.035 0.000 1.161 141 L CA 0.131 54.883 54.840 -0.146 0.000 0.845 141 L CB 0.422 42.261 42.059 -0.367 0.000 1.119 141 L HN 0.400 nan 8.230 nan 0.000 0.464 142 D N 2.737 122.972 120.400 -0.275 0.000 2.522 142 D HA 0.081 4.726 4.640 0.009 0.000 0.218 142 D C 1.188 177.474 176.300 -0.024 0.000 1.149 142 D CA 0.017 53.811 54.000 -0.344 0.000 0.981 142 D CB 1.295 41.834 40.800 -0.436 0.000 1.041 142 D HN 0.713 nan 8.370 nan 0.000 0.518 143 G N 2.559 111.449 108.800 0.149 0.000 2.597 143 G HA2 -0.353 3.613 3.960 0.009 0.000 0.222 143 G HA3 -0.353 3.613 3.960 0.009 0.000 0.222 143 G C 1.218 176.100 174.900 -0.030 0.000 1.135 143 G CA 1.185 46.342 45.100 0.094 0.000 0.759 143 G HN 0.560 nan 8.290 nan 0.000 0.595 144 H N 0.262 119.346 119.070 0.024 0.000 2.326 144 H HA 0.082 4.644 4.556 0.010 0.000 0.301 144 H C 2.687 178.018 175.328 0.005 0.000 1.081 144 H CA 1.572 57.630 56.048 0.017 0.000 1.334 144 H CB -0.064 29.711 29.762 0.022 0.000 1.385 144 H HN 0.325 nan 8.280 nan 0.000 0.504 145 K N 0.082 120.550 120.400 0.114 0.000 2.032 145 K HA -0.135 4.190 4.320 0.009 0.000 0.209 145 K C 2.208 178.824 176.600 0.026 0.000 1.048 145 K CA 1.480 57.794 56.287 0.044 0.000 0.927 145 K CB -0.261 32.238 32.500 -0.002 0.000 0.712 145 K HN 0.050 nan 8.250 nan 0.000 0.441 146 V N 1.932 121.852 119.914 0.011 0.000 2.237 146 V HA -0.255 3.870 4.120 0.009 0.000 0.245 146 V C 2.287 178.415 176.094 0.057 0.000 1.046 146 V CA 1.668 63.983 62.300 0.025 0.000 1.007 146 V CB -0.434 31.400 31.823 0.018 0.000 0.638 146 V HN 0.295 nan 8.190 nan 0.000 0.445 147 L N -0.086 121.156 121.223 0.031 0.000 2.079 147 L HA -0.228 4.117 4.340 0.009 0.000 0.210 147 L C 2.680 179.600 176.870 0.084 0.000 1.081 147 L CA 1.677 56.546 54.840 0.048 0.000 0.752 147 L CB -0.747 41.313 42.059 0.002 0.000 0.896 147 L HN 0.409 nan 8.230 nan 0.000 0.433 148 A N -0.227 122.634 122.820 0.068 0.000 1.898 148 A HA -0.127 4.198 4.320 0.009 0.000 0.216 148 A C 2.518 180.132 177.584 0.051 0.000 1.181 148 A CA 1.572 53.648 52.037 0.064 0.000 0.620 148 A CB -0.637 18.399 19.000 0.060 0.000 0.819 148 A HN 0.403 nan 8.150 nan 0.000 0.442 149 A N -0.690 122.154 122.820 0.040 0.000 1.933 149 A HA -0.025 4.300 4.320 0.009 0.000 0.218 149 A C 2.090 179.689 177.584 0.025 0.000 1.175 149 A CA 1.669 53.718 52.037 0.021 0.000 0.628 149 A CB -0.564 18.437 19.000 0.002 0.000 0.814 149 A HN 0.519 nan 8.150 nan 0.000 0.444 150 L N -0.285 120.972 121.223 0.056 0.000 2.046 150 L HA -0.114 4.232 4.340 0.009 0.000 0.208 150 L C 2.472 179.404 176.870 0.103 0.000 1.077 150 L CA 2.304 57.194 54.840 0.083 0.000 0.747 150 L CB -0.564 41.592 42.059 0.162 0.000 0.896 150 L HN 0.484 nan 8.230 nan 0.000 0.432 151 R N -0.885 119.680 120.500 0.108 0.000 2.075 151 R HA -0.113 4.232 4.340 0.009 0.000 0.232 151 R C 2.229 178.563 176.300 0.056 0.000 1.126 151 R CA 1.273 57.429 56.100 0.092 0.000 0.963 151 R CB -0.386 29.961 30.300 0.078 0.000 0.858 151 R HN 0.432 nan 8.270 nan 0.000 0.435 152 A N 0.582 123.426 122.820 0.041 0.000 1.948 152 A HA -0.185 4.140 4.320 0.009 0.000 0.220 152 A C 2.270 179.870 177.584 0.027 0.000 1.177 152 A CA 1.922 53.974 52.037 0.024 0.000 0.636 152 A CB -1.004 18.006 19.000 0.016 0.000 0.815 152 A HN 0.387 nan 8.150 nan 0.000 0.449 153 V N -2.173 117.760 119.914 0.031 0.000 2.427 153 V HA -0.257 3.869 4.120 0.009 0.000 0.248 153 V C 2.063 178.231 176.094 0.123 0.000 1.051 153 V CA 2.378 64.703 62.300 0.041 0.000 1.048 153 V CB -0.925 30.884 31.823 -0.024 0.000 0.666 153 V HN 0.604 nan 8.190 nan 0.000 0.456 154 Q N 0.598 120.473 119.800 0.125 0.000 2.167 154 Q HA -0.064 4.282 4.340 0.009 0.000 0.202 154 Q C 2.306 178.327 176.000 0.034 0.000 0.970 154 Q CA 1.698 57.575 55.803 0.123 0.000 0.855 154 Q CB -0.574 28.227 28.738 0.105 0.000 0.911 154 Q HN 0.808 nan 8.270 nan 0.000 0.438 155 G N 1.155 109.964 108.800 0.015 0.000 2.446 155 G HA2 -0.257 3.709 3.960 0.009 0.000 0.217 155 G HA3 -0.257 3.709 3.960 0.009 0.000 0.217 155 G C 1.405 176.292 174.900 -0.022 0.000 1.168 155 G CA 0.597 45.683 45.100 -0.023 0.000 0.771 155 G HN 0.245 nan 8.290 nan 0.000 0.551 156 L N -0.341 120.886 121.223 0.008 0.000 2.191 156 L HA -0.016 4.329 4.340 0.009 0.000 0.212 156 L C 2.664 179.534 176.870 0.001 0.000 1.103 156 L CA 0.216 55.062 54.840 0.009 0.000 0.769 156 L CB -0.309 41.762 42.059 0.020 0.000 0.908 156 L HN 0.201 nan 8.230 nan 0.000 0.438 157 L N -0.446 120.769 121.223 -0.012 0.000 2.141 157 L HA -0.109 4.237 4.340 0.009 0.000 0.209 157 L C 2.140 178.984 176.870 -0.043 0.000 1.094 157 L CA 1.802 56.588 54.840 -0.090 0.000 0.763 157 L CB -0.420 41.456 42.059 -0.305 0.000 0.908 157 L HN 0.101 nan 8.230 nan 0.000 0.437 158 V N -2.204 117.681 119.914 -0.048 0.000 2.341 158 V HA 0.108 4.234 4.120 0.009 0.000 0.240 158 V C 1.706 177.797 176.094 -0.006 0.000 1.035 158 V CA 1.586 63.865 62.300 -0.035 0.000 1.033 158 V CB -1.615 30.051 31.823 -0.262 0.000 0.678 158 V HN 0.413 nan 8.190 nan 0.000 0.464 168 P HA 0.408 nan 4.420 nan 0.000 0.239 168 P C -0.373 176.852 177.300 -0.126 0.000 1.188 168 P CA 0.211 63.269 63.100 -0.069 0.000 0.794 168 P CB 0.259 31.948 31.700 -0.018 0.000 0.937 169 L N 0.334 121.483 121.223 -0.123 0.000 2.322 169 L HA 0.415 4.760 4.340 0.009 0.000 0.281 169 L C -0.326 176.402 176.870 -0.238 0.000 1.014 169 L CA -0.433 54.274 54.840 -0.221 0.000 0.815 169 L CB 1.921 43.940 42.059 -0.067 0.000 1.247 169 L HN -0.176 nan 8.230 nan 0.000 0.421 170 L N 3.699 124.652 121.223 -0.450 0.000 2.406 170 L HA 0.585 4.930 4.340 0.009 0.000 0.272 170 L C -0.728 175.886 176.870 -0.426 0.000 0.980 170 L CA -0.294 54.361 54.840 -0.308 0.000 0.831 170 L CB 1.876 43.746 42.059 -0.315 0.000 1.253 170 L HN 0.571 nan 8.230 nan 0.000 0.406 171 Q N 2.231 121.951 119.800 -0.132 0.000 2.305 171 Q HA 0.586 4.932 4.340 0.009 0.000 0.271 171 Q C -1.708 174.334 176.000 0.069 0.000 1.046 171 Q CA -0.429 55.364 55.803 -0.016 0.000 0.798 171 Q CB 2.549 31.416 28.738 0.215 0.000 1.286 171 Q HN 0.618 nan 8.270 nan 0.000 0.435 172 S N 4.136 119.898 115.700 0.102 0.000 2.594 172 S HA 0.564 5.040 4.470 0.009 0.000 0.296 172 S C -0.645 174.125 174.600 0.283 0.000 1.124 172 S CA -0.526 57.800 58.200 0.210 0.000 1.011 172 S CB 0.897 64.304 63.200 0.344 0.000 1.016 172 S HN 0.538 nan 8.310 nan 0.000 0.485 173 I N 3.583 124.271 120.570 0.196 0.000 2.330 173 I HA 0.463 4.638 4.170 0.009 0.000 0.289 173 I C -0.172 176.030 176.117 0.141 0.000 1.001 173 I CA -0.894 60.500 61.300 0.157 0.000 1.193 173 I CB 1.387 39.344 38.000 -0.072 0.000 1.345 173 I HN 0.424 nan 8.210 nan 0.000 0.461 174 V N 5.698 125.788 119.914 0.293 0.000 2.715 174 V HA 0.707 4.832 4.120 0.009 0.000 0.310 174 V C -0.672 175.586 176.094 0.272 0.000 1.054 174 V CA -0.455 61.982 62.300 0.228 0.000 0.928 174 V CB 2.156 34.087 31.823 0.180 0.000 1.007 174 V HN 0.385 nan 8.190 nan 0.000 0.437 175 V N 3.879 123.905 119.914 0.187 0.000 2.487 175 V HA 0.793 4.919 4.120 0.009 0.000 0.298 175 V C 0.754 176.923 176.094 0.125 0.000 1.028 175 V CA 0.160 62.539 62.300 0.132 0.000 0.860 175 V CB 1.562 33.339 31.823 -0.078 0.000 0.991 175 V HN 1.277 nan 8.190 nan 0.000 0.427 176 G N 3.627 112.534 108.800 0.177 0.000 2.335 176 G HA2 0.572 4.537 3.960 0.009 0.000 0.314 176 G HA3 0.572 4.537 3.960 0.009 0.000 0.314 176 G C -1.060 173.592 174.900 -0.413 0.000 1.129 176 G CA -0.383 44.648 45.100 -0.115 0.000 0.912 176 G HN 0.541 nan 8.290 nan 0.000 0.443 177 L N 3.700 124.551 121.223 -0.620 0.000 2.426 177 L HA 0.522 4.868 4.340 0.009 0.000 0.255 177 L C -0.994 175.645 176.870 -0.386 0.000 1.080 177 L CA -1.013 53.580 54.840 -0.412 0.000 0.960 177 L CB -0.290 41.596 42.059 -0.289 0.000 1.326 177 L HN 0.356 nan 8.230 nan 0.000 0.441 178 F N 1.636 121.575 119.950 -0.019 0.000 2.421 178 F HA 0.497 5.030 4.527 0.010 0.000 0.358 178 F C 1.108 176.871 175.800 -0.061 0.000 1.115 178 F CA -0.380 57.594 58.000 -0.043 0.000 1.160 178 F CB 0.916 39.895 39.000 -0.035 0.000 1.123 178 F HN 0.391 nan 8.300 nan 0.000 0.508 179 T N 0.291 114.880 114.554 0.059 0.000 2.912 179 T HA 0.841 5.197 4.350 0.009 0.000 0.288 179 T C -0.141 174.557 174.700 -0.002 0.000 1.030 179 T CA -1.101 60.975 62.100 -0.040 0.000 1.020 179 T CB 1.727 70.605 68.868 0.017 0.000 1.056 179 T HN 0.711 nan 8.240 nan 0.000 0.480 180 A N 2.631 125.420 122.820 -0.052 0.000 2.386 180 A HA 0.616 4.941 4.320 0.009 0.000 0.248 180 A C -2.409 175.214 177.584 0.066 0.000 1.082 180 A CA -1.493 50.548 52.037 0.006 0.000 0.789 180 A CB -0.819 18.173 19.000 -0.013 0.000 1.025 180 A HN 0.715 nan 8.150 nan 0.000 0.490 181 P HA 0.327 nan 4.420 nan 0.000 0.268 181 P C 1.031 178.370 177.300 0.066 0.000 1.204 181 P CA 1.445 64.575 63.100 0.050 0.000 0.768 181 P CB 0.868 32.587 31.700 0.031 0.000 0.842 182 G N 2.582 111.416 108.800 0.056 0.000 2.358 182 G HA2 -0.294 3.671 3.960 0.009 0.000 0.224 182 G HA3 -0.294 3.671 3.960 0.009 0.000 0.224 182 G C 0.101 175.029 174.900 0.046 0.000 1.073 182 G CA -0.259 44.867 45.100 0.042 0.000 0.635 182 G HN 0.565 nan 8.290 nan 0.000 0.509 183 F N 4.292 124.212 119.950 -0.051 0.000 2.602 183 F HA 0.503 5.037 4.527 0.010 0.000 0.385 183 F C 1.030 176.760 175.800 -0.118 0.000 1.063 183 F CA 0.132 58.090 58.000 -0.069 0.000 1.233 183 F CB 0.422 39.387 39.000 -0.058 0.000 1.067 183 F HN 0.220 nan 8.300 nan 0.000 0.564 184 R N 7.272 127.359 120.500 -0.689 0.000 2.338 184 R HA 0.479 4.824 4.340 0.009 0.000 0.317 184 R C -0.973 174.909 176.300 -0.697 0.000 0.968 184 R CA -0.973 54.803 56.100 -0.540 0.000 0.849 184 R CB 1.417 31.513 30.300 -0.341 0.000 1.128 184 R HN 0.645 nan 8.270 nan 0.000 0.448 185 L N 2.627 123.515 121.223 -0.558 0.000 2.375 185 L HA 0.310 4.656 4.340 0.009 0.000 0.271 185 L C 0.406 177.205 176.870 -0.118 0.000 1.107 185 L CA -0.406 54.241 54.840 -0.322 0.000 0.806 185 L CB 0.791 42.664 42.059 -0.310 0.000 1.146 185 L HN 0.356 nan 8.230 nan 0.000 0.447 186 K N 1.364 121.792 120.400 0.047 0.000 2.249 186 K HA 0.053 4.378 4.320 0.009 0.000 0.280 186 K C 0.958 177.761 176.600 0.338 0.000 1.033 186 K CA -0.395 55.992 56.287 0.166 0.000 0.946 186 K CB 0.863 33.428 32.500 0.109 0.000 1.005 186 K HN 0.532 nan 8.250 nan 0.000 0.469 187 H N 2.386 121.604 119.070 0.247 0.000 2.353 187 H HA -0.137 4.425 4.556 0.010 0.000 0.300 187 H C 1.440 176.862 175.328 0.157 0.000 1.090 187 H CA 2.528 58.700 56.048 0.207 0.000 1.327 187 H CB 0.250 30.072 29.762 0.099 0.000 1.383 187 H HN 0.687 nan 8.280 nan 0.000 0.508 188 S N 0.150 116.008 115.700 0.264 0.000 2.399 188 S HA -0.175 4.300 4.470 0.009 0.000 0.231 188 S C 2.189 176.879 174.600 0.150 0.000 1.022 188 S CA 1.115 59.428 58.200 0.188 0.000 0.983 188 S CB -1.103 62.233 63.200 0.225 0.000 0.803 188 S HN 0.420 nan 8.310 nan 0.000 0.480 189 F N 2.803 122.777 119.950 0.039 0.000 2.084 189 F HA 0.010 4.542 4.527 0.009 0.000 0.296 189 F C 2.269 178.070 175.800 0.002 0.000 1.111 189 F CA 1.130 59.141 58.000 0.019 0.000 1.224 189 F CB -0.697 38.319 39.000 0.027 0.000 0.991 189 F HN 0.071 nan 8.300 nan 0.000 0.471 190 V N 0.114 120.010 119.914 -0.030 0.000 2.490 190 V HA -0.302 3.824 4.120 0.009 0.000 0.250 190 V C 2.330 178.286 176.094 -0.231 0.000 1.061 190 V CA 2.044 64.252 62.300 -0.152 0.000 1.064 190 V CB -0.799 31.055 31.823 0.050 0.000 0.670 190 V HN 0.351 nan 8.190 nan 0.000 0.461 191 Q N -0.005 119.642 119.800 -0.255 0.000 2.084 191 Q HA -0.156 4.190 4.340 0.009 0.000 0.202 191 Q C 2.455 178.391 176.000 -0.107 0.000 0.978 191 Q CA 2.112 57.790 55.803 -0.207 0.000 0.844 191 Q CB -0.260 28.353 28.738 -0.208 0.000 0.898 191 Q HN 0.615 nan 8.270 nan 0.000 0.426 192 S N -0.132 115.505 115.700 -0.105 0.000 2.348 192 S HA -0.143 4.333 4.470 0.009 0.000 0.221 192 S C 1.694 176.185 174.600 -0.182 0.000 1.033 192 S CA 1.073 59.192 58.200 -0.134 0.000 1.010 192 S CB -0.395 62.680 63.200 -0.208 0.000 0.891 192 S HN 0.264 nan 8.310 nan 0.000 0.442 193 L N 1.833 122.872 121.223 -0.308 0.000 2.051 193 L HA -0.220 4.125 4.340 0.009 0.000 0.214 193 L C 2.554 179.386 176.870 -0.062 0.000 1.076 193 L CA 1.853 56.576 54.840 -0.195 0.000 0.758 193 L CB -1.047 40.820 42.059 -0.319 0.000 0.890 193 L HN 0.338 nan 8.230 nan 0.000 0.433 194 A N -0.989 121.766 122.820 -0.108 0.000 1.986 194 A HA -0.219 4.107 4.320 0.009 0.000 0.220 194 A C 2.238 179.808 177.584 -0.024 0.000 1.171 194 A CA 1.929 53.917 52.037 -0.082 0.000 0.640 194 A CB -0.838 18.103 19.000 -0.098 0.000 0.811 194 A HN 0.475 nan 8.150 nan 0.000 0.451 195 L N -2.264 118.966 121.223 0.012 0.000 2.291 195 L HA -0.054 4.291 4.340 0.009 0.000 0.214 195 L C 2.338 179.290 176.870 0.137 0.000 1.120 195 L CA 0.749 55.623 54.840 0.056 0.000 0.799 195 L CB -0.402 41.690 42.059 0.056 0.000 0.925 195 L HN 0.485 nan 8.230 nan 0.000 0.446 196 F N 0.037 119.968 119.950 -0.032 0.000 2.187 196 F HA 0.053 4.585 4.527 0.008 0.000 0.295 196 F C 1.021 176.838 175.800 0.028 0.000 1.091 196 F CA 0.853 58.857 58.000 0.007 0.000 1.308 196 F CB 0.223 39.234 39.000 0.018 0.000 1.030 196 F HN -0.046 nan 8.300 nan 0.000 0.487 197 T N 0.544 115.012 114.554 -0.143 0.000 3.225 197 T HA 0.262 4.618 4.350 0.009 0.000 0.356 197 T C -2.413 172.203 174.700 -0.140 0.000 1.460 197 T CA -0.926 61.042 62.100 -0.220 0.000 1.126 197 T CB 1.609 70.236 68.868 -0.400 0.000 1.321 197 T HN -0.173 nan 8.240 nan 0.000 0.478 198 P HA 0.163 nan 4.420 nan 0.000 0.222 198 P C 0.565 177.765 177.300 -0.166 0.000 1.153 198 P CA 0.304 63.331 63.100 -0.120 0.000 0.798 198 P CB -0.156 31.495 31.700 -0.083 0.000 0.796 199 A N 0.983 123.737 122.820 -0.109 0.000 2.897 199 A HA 0.243 4.568 4.320 0.009 0.000 0.287 199 A C -0.111 177.400 177.584 -0.122 0.000 1.748 199 A CA 0.203 52.201 52.037 -0.064 0.000 1.397 199 A CB -1.640 17.420 19.000 0.101 0.000 1.049 199 A HN 0.196 nan 8.150 nan 0.000 0.592 200 L N 2.308 123.274 121.223 -0.429 0.000 2.410 200 L HA 0.773 5.118 4.340 0.009 0.000 0.270 200 L C -1.440 175.038 176.870 -0.654 0.000 0.983 200 L CA -0.313 54.315 54.840 -0.354 0.000 0.822 200 L CB 1.415 43.306 42.059 -0.279 0.000 1.285 200 L HN 0.421 nan 8.230 nan 0.000 0.409 201 F N 6.201 126.084 119.950 -0.112 0.000 2.810 201 F HA 0.453 4.986 4.527 0.010 0.000 0.373 201 F C -2.284 173.357 175.800 -0.266 0.000 1.174 201 F CA -1.414 56.534 58.000 -0.087 0.000 1.141 201 F CB 1.480 40.529 39.000 0.082 0.000 1.420 201 F HN 0.297 nan 8.300 nan 0.000 0.518 202 P HA 0.443 nan 4.420 nan 0.000 0.297 202 P C -0.610 176.618 177.300 -0.121 0.000 1.319 202 P CA -0.476 62.541 63.100 -0.139 0.000 0.810 202 P CB 1.581 33.294 31.700 0.022 0.000 0.947 203 R N 1.177 121.536 120.500 -0.234 0.000 2.740 203 R HA 0.538 4.883 4.340 0.009 0.000 0.273 203 R C -0.084 176.199 176.300 -0.029 0.000 0.998 203 R CA -0.734 55.283 56.100 -0.137 0.000 0.900 203 R CB 2.014 32.153 30.300 -0.268 0.000 1.223 203 R HN 0.561 nan 8.270 nan 0.000 0.466 204 S N 1.144 116.844 115.700 0.000 0.000 2.608 204 S HA 0.849 5.325 4.470 0.009 0.000 0.291 204 S C -0.026 174.592 174.600 0.030 0.000 1.146 204 S CA -0.701 57.516 58.200 0.028 0.000 1.043 204 S CB 1.355 64.570 63.200 0.024 0.000 1.037 204 S HN 0.434 nan 8.310 nan 0.000 0.520 205 L N 0.706 121.948 121.223 0.031 0.000 2.582 205 L HA 0.418 4.764 4.340 0.009 0.000 0.257 205 L C -1.226 175.648 176.870 0.007 0.000 0.974 205 L CA -0.820 54.027 54.840 0.011 0.000 0.851 205 L CB 2.214 44.274 42.059 0.002 0.000 1.424 205 L HN 0.731 nan 8.230 nan 0.000 0.412 206 D N 2.260 122.659 120.400 -0.002 0.000 2.338 206 D HA 0.224 4.869 4.640 0.009 0.000 0.255 206 D C 0.397 176.691 176.300 -0.010 0.000 1.237 206 D CA 0.010 54.008 54.000 -0.002 0.000 0.883 206 D CB 1.167 41.966 40.800 -0.002 0.000 1.087 206 D HN 0.446 nan 8.370 nan 0.000 0.485 207 L N 2.816 124.034 121.223 -0.009 0.000 2.590 207 L HA -0.010 4.336 4.340 0.009 0.000 0.227 207 L C 2.199 179.062 176.870 -0.012 0.000 1.099 207 L CA 0.020 54.851 54.840 -0.015 0.000 0.872 207 L CB 0.072 42.122 42.059 -0.015 0.000 1.088 207 L HN 0.315 nan 8.230 nan 0.000 0.479 208 S N -1.721 113.975 115.700 -0.007 0.000 2.468 208 S HA -0.080 4.396 4.470 0.009 0.000 0.226 208 S C 1.993 176.590 174.600 -0.004 0.000 1.051 208 S CA 0.657 58.854 58.200 -0.005 0.000 0.943 208 S CB -0.362 62.837 63.200 -0.001 0.000 0.810 208 S HN 0.414 nan 8.310 nan 0.000 0.509 209 T N -0.880 113.672 114.554 -0.004 0.000 2.732 209 T HA 0.043 4.399 4.350 0.009 0.000 0.261 209 T C 0.495 175.192 174.700 -0.006 0.000 1.040 209 T CA 1.337 63.434 62.100 -0.004 0.000 1.145 209 T CB -0.484 68.382 68.868 -0.003 0.000 0.866 209 T HN 0.318 nan 8.240 nan 0.000 0.427 210 D N 1.681 122.076 120.400 -0.008 0.000 2.400 210 D HA 0.363 5.008 4.640 0.009 0.000 0.272 210 D C -2.244 174.048 176.300 -0.014 0.000 1.220 210 D CA -2.298 51.696 54.000 -0.010 0.000 0.897 210 D CB 1.670 42.464 40.800 -0.010 0.000 1.134 210 D HN -0.009 nan 8.370 nan 0.000 0.507 211 P HA -0.161 nan 4.420 nan 0.000 0.216 211 P C 1.626 178.913 177.300 -0.021 0.000 1.150 211 P CA 0.688 63.778 63.100 -0.017 0.000 0.843 211 P CB 0.538 32.231 31.700 -0.012 0.000 0.787 212 V N -0.843 119.062 119.914 -0.016 0.000 2.307 212 V HA -0.207 3.918 4.120 0.009 0.000 0.245 212 V C 2.399 178.479 176.094 -0.023 0.000 1.045 212 V CA 1.435 63.726 62.300 -0.016 0.000 1.024 212 V CB -1.324 30.492 31.823 -0.011 0.000 0.651 212 V HN 0.036 nan 8.190 nan 0.000 0.449 213 L N 0.940 122.151 121.223 -0.021 0.000 2.012 213 L HA -0.160 4.185 4.340 0.009 0.000 0.210 213 L C 2.546 179.393 176.870 -0.038 0.000 1.073 213 L CA 2.362 57.187 54.840 -0.024 0.000 0.748 213 L CB -0.980 41.068 42.059 -0.019 0.000 0.891 213 L HN 0.260 nan 8.230 nan 0.000 0.431 214 A N -1.726 121.068 122.820 -0.043 0.000 1.948 214 A HA -0.266 4.059 4.320 0.009 0.000 0.220 214 A C 2.247 179.772 177.584 -0.099 0.000 1.177 214 A CA 2.506 54.503 52.037 -0.066 0.000 0.636 214 A CB -1.238 17.728 19.000 -0.057 0.000 0.815 214 A HN 0.554 nan 8.150 nan 0.000 0.449 215 T N -0.060 114.449 114.554 -0.075 0.000 2.777 215 T HA -0.134 4.222 4.350 0.009 0.000 0.266 215 T C 1.695 176.351 174.700 -0.073 0.000 1.040 215 T CA 1.535 63.587 62.100 -0.079 0.000 1.141 215 T CB -0.300 68.543 68.868 -0.041 0.000 0.868 215 T HN 0.685 nan 8.240 nan 0.000 0.444 216 E N 1.201 121.370 120.200 -0.051 0.000 2.077 216 E HA -0.130 4.226 4.350 0.009 0.000 0.193 216 E C 2.323 178.896 176.600 -0.044 0.000 0.989 216 E CA 0.974 57.351 56.400 -0.037 0.000 0.800 216 E CB -0.090 29.595 29.700 -0.025 0.000 0.746 216 E HN 0.494 nan 8.360 nan 0.000 0.452 217 K N 0.570 120.934 120.400 -0.060 0.000 2.002 217 K HA -0.112 4.214 4.320 0.009 0.000 0.209 217 K C 2.231 178.786 176.600 -0.075 0.000 1.048 217 K CA 1.130 57.385 56.287 -0.054 0.000 0.930 217 K CB -0.178 32.282 32.500 -0.067 0.000 0.714 217 K HN 0.105 nan 8.250 nan 0.000 0.438 218 I N 1.871 122.311 120.570 -0.217 0.000 2.127 218 I HA -0.329 3.846 4.170 0.009 0.000 0.241 218 I C 1.835 177.880 176.117 -0.119 0.000 1.075 218 I CA 1.209 62.275 61.300 -0.390 0.000 1.334 218 I CB -0.523 37.065 38.000 -0.687 0.000 1.040 218 I HN 0.193 nan 8.210 nan 0.000 0.405 219 N N 0.702 119.353 118.700 -0.081 0.000 2.061 219 N HA -0.225 4.521 4.740 0.009 0.000 0.193 219 N C 1.874 177.362 175.510 -0.037 0.000 1.030 219 N CA 1.331 54.364 53.050 -0.027 0.000 0.856 219 N CB -0.488 37.991 38.487 -0.014 0.000 1.023 219 N HN 0.309 nan 8.380 nan 0.000 0.424 220 R N -0.361 120.125 120.500 -0.023 0.000 2.066 220 R HA -0.098 4.248 4.340 0.009 0.000 0.232 220 R C 2.151 178.428 176.300 -0.038 0.000 1.131 220 R CA 1.020 57.103 56.100 -0.028 0.000 0.955 220 R CB -0.498 29.798 30.300 -0.007 0.000 0.851 220 R HN 0.216 nan 8.270 nan 0.000 0.432 221 F N 1.466 121.336 119.950 -0.132 0.000 2.065 221 F HA -0.266 4.266 4.527 0.009 0.000 0.298 221 F C 1.969 177.625 175.800 -0.240 0.000 1.112 221 F CA 1.551 59.468 58.000 -0.139 0.000 1.212 221 F CB -0.223 38.746 39.000 -0.051 0.000 0.975 221 F HN -0.006 nan 8.300 nan 0.000 0.476 222 I N 0.644 121.035 120.570 -0.297 0.000 2.226 222 I HA -0.267 3.909 4.170 0.009 0.000 0.245 222 I C 2.454 178.203 176.117 -0.615 0.000 1.100 222 I CA 1.407 62.352 61.300 -0.590 0.000 1.374 222 I CB -1.287 36.353 38.000 -0.600 0.000 1.057 222 I HN 0.257 nan 8.210 nan 0.000 0.413 223 K N 1.103 121.272 120.400 -0.385 0.000 2.147 223 K HA -0.141 4.184 4.320 0.009 0.000 0.205 223 K C 2.125 178.511 176.600 -0.358 0.000 1.049 223 K CA 1.368 57.467 56.287 -0.312 0.000 0.936 223 K CB 0.141 32.543 32.500 -0.164 0.000 0.722 223 K HN 0.252 nan 8.250 nan 0.000 0.446 224 A N 0.870 123.460 122.820 -0.383 0.000 1.877 224 A HA -0.133 4.193 4.320 0.009 0.000 0.216 224 A C 2.220 179.522 177.584 -0.470 0.000 1.186 224 A CA 1.977 53.796 52.037 -0.363 0.000 0.620 224 A CB -0.693 18.116 19.000 -0.318 0.000 0.822 224 A HN 0.264 nan 8.150 nan 0.000 0.443 225 V N -2.139 117.338 119.914 -0.728 0.000 2.446 225 V HA -0.086 4.040 4.120 0.009 0.000 0.244 225 V C 2.398 178.088 176.094 -0.673 0.000 1.039 225 V CA 2.416 64.263 62.300 -0.755 0.000 1.045 225 V CB -1.486 29.611 31.823 -1.211 0.000 0.681 225 V HN 0.662 nan 8.190 nan 0.000 0.459 226 T N -2.734 111.303 114.554 -0.861 0.000 3.009 226 T HA 0.335 4.691 4.350 0.009 0.000 0.258 226 T C 1.904 176.086 174.700 -0.864 0.000 1.063 226 T CA 1.472 62.881 62.100 -1.153 0.000 1.139 226 T CB 0.058 67.641 68.868 -2.142 0.000 0.890 226 T HN 1.720 nan 8.240 nan 0.000 0.471 227 G N 0.346 108.815 108.800 -0.550 0.000 2.176 227 G HA2 -0.176 3.790 3.960 0.009 0.000 0.253 227 G HA3 -0.176 3.790 3.960 0.009 0.000 0.253 227 G C -0.176 174.702 174.900 -0.037 0.000 0.979 227 G CA -0.031 44.935 45.100 -0.223 0.000 0.641 227 G HN 0.514 nan 8.290 nan 0.000 0.530 228 W N 1.370 122.537 121.300 -0.221 0.000 2.316 228 W HA 0.646 5.311 4.660 0.008 0.000 0.311 228 W C 0.604 177.030 176.519 -0.155 0.000 1.217 228 W CA -1.704 55.497 57.345 -0.241 0.000 1.199 228 W CB 0.443 29.717 29.460 -0.309 0.000 1.202 228 W HN -0.005 nan 8.180 nan 0.000 0.528 229 K N 3.769 124.228 120.400 0.098 0.000 2.349 229 K HA 0.360 4.685 4.320 0.009 0.000 0.289 229 K C 0.003 176.651 176.600 0.080 0.000 1.064 229 K CA 0.172 56.493 56.287 0.058 0.000 0.947 229 K CB 0.295 32.813 32.500 0.030 0.000 1.007 229 K HN 0.339 nan 8.250 nan 0.000 0.478 230 M N 2.708 122.365 119.600 0.094 0.000 2.501 230 M HA 0.180 4.666 4.480 0.009 0.000 0.293 230 M C -0.449 175.912 176.300 0.103 0.000 1.192 230 M CA -1.205 54.171 55.300 0.126 0.000 0.886 230 M CB 1.846 34.573 32.600 0.212 0.000 1.710 230 M HN 0.473 nan 8.290 nan 0.000 0.457 231 N N 2.803 121.562 118.700 0.098 0.000 2.543 231 N HA 0.109 4.854 4.740 0.009 0.000 0.289 231 N C -1.377 174.184 175.510 0.085 0.000 1.223 231 N CA 0.007 53.104 53.050 0.078 0.000 1.080 231 N CB -0.136 38.394 38.487 0.072 0.000 1.450 231 N HN 0.457 nan 8.380 nan 0.000 0.501 232 L N 3.367 124.637 121.223 0.078 0.000 2.313 232 L HA 0.371 4.716 4.340 0.009 0.000 0.282 232 L C -1.802 175.101 176.870 0.055 0.000 1.092 232 L CA -2.063 52.825 54.840 0.081 0.000 0.831 232 L CB 0.504 42.606 42.059 0.071 0.000 1.159 232 L HN 0.420 nan 8.230 nan 0.000 0.442 233 P HA 0.118 nan 4.420 nan 0.000 0.271 233 P C 0.523 177.837 177.300 0.023 0.000 1.226 233 P CA -0.166 62.956 63.100 0.037 0.000 0.765 233 P CB 0.823 32.545 31.700 0.037 0.000 0.835 234 L N 0.885 122.118 121.223 0.016 0.000 2.509 234 L HA 0.114 4.459 4.340 0.009 0.000 0.222 234 L C 1.405 178.276 176.870 0.002 0.000 1.123 234 L CA 0.165 55.009 54.840 0.007 0.000 0.856 234 L CB -0.359 41.704 42.059 0.006 0.000 0.985 234 L HN 0.451 nan 8.230 nan 0.000 0.456 235 E N 1.558 121.762 120.200 0.007 0.000 2.465 235 E HA 0.084 4.440 4.350 0.009 0.000 0.260 235 E C 0.345 176.945 176.600 -0.001 0.000 0.980 235 E CA -0.189 56.214 56.400 0.005 0.000 0.927 235 E CB 0.716 30.422 29.700 0.010 0.000 0.934 235 E HN 0.193 nan 8.360 nan 0.000 0.459 236 G N 3.183 111.981 108.800 -0.004 0.000 2.403 236 G HA2 0.278 4.243 3.960 0.009 0.000 0.259 236 G HA3 0.278 4.243 3.960 0.009 0.000 0.259 236 G C -0.462 174.435 174.900 -0.004 0.000 1.244 236 G CA -0.612 44.483 45.100 -0.008 0.000 0.849 236 G HN 0.460 nan 8.290 nan 0.000 0.532 237 V N 1.895 121.805 119.914 -0.006 0.000 2.997 237 V HA 0.364 4.489 4.120 0.009 0.000 0.311 237 V C 0.813 176.906 176.094 -0.002 0.000 1.066 237 V CA -0.565 61.735 62.300 -0.000 0.000 1.039 237 V CB 1.579 33.405 31.823 0.005 0.000 1.081 237 V HN 0.951 nan 8.190 nan 0.000 0.467 238 S N 2.510 118.210 115.700 -0.000 0.000 2.715 238 S HA -0.129 4.347 4.470 0.009 0.000 0.318 238 S C 1.393 175.990 174.600 -0.004 0.000 1.242 238 S CA 0.924 59.123 58.200 -0.002 0.000 1.044 238 S CB 0.337 63.536 63.200 -0.002 0.000 0.760 238 S HN 1.048 nan 8.310 nan 0.000 0.501 239 T N 1.221 115.772 114.554 -0.004 0.000 2.849 239 T HA -0.174 4.181 4.350 0.009 0.000 0.270 239 T C 0.948 175.645 174.700 -0.005 0.000 1.066 239 T CA 1.628 63.725 62.100 -0.005 0.000 1.130 239 T CB -0.556 68.310 68.868 -0.003 0.000 0.864 239 T HN 0.833 nan 8.240 nan 0.000 0.481 240 D N 0.304 120.701 120.400 -0.005 0.000 2.427 240 D HA 0.205 4.850 4.640 0.009 0.000 0.224 240 D C 0.128 176.421 176.300 -0.012 0.000 1.157 240 D CA -0.291 53.706 54.000 -0.005 0.000 0.828 240 D CB -0.205 40.594 40.800 -0.001 0.000 0.974 240 D HN 0.149 nan 8.370 nan 0.000 0.498 241 S N -0.287 115.402 115.700 -0.017 0.000 2.565 241 S HA 0.305 4.781 4.470 0.009 0.000 0.276 241 S C 1.271 175.835 174.600 -0.059 0.000 1.326 241 S CA -0.126 58.056 58.200 -0.030 0.000 1.045 241 S CB 1.370 64.560 63.200 -0.016 0.000 0.918 241 S HN 0.489 nan 8.310 nan 0.000 0.505 242 T N -0.015 114.468 114.554 -0.119 0.000 2.985 242 T HA 0.384 4.740 4.350 0.009 0.000 0.254 242 T C 0.165 174.634 174.700 -0.385 0.000 1.021 242 T CA -0.146 61.814 62.100 -0.233 0.000 0.957 242 T CB -0.098 68.599 68.868 -0.284 0.000 1.047 242 T HN 0.436 nan 8.240 nan 0.000 0.511 243 L N 1.200 122.272 121.223 -0.252 0.000 2.455 243 L HA 0.629 4.975 4.340 0.009 0.000 0.264 243 L C -1.997 174.897 176.870 0.039 0.000 0.968 243 L CA -1.331 53.403 54.840 -0.177 0.000 0.827 243 L CB 2.408 44.324 42.059 -0.239 0.000 1.317 243 L HN 0.167 nan 8.230 nan 0.000 0.407 244 L N 4.621 125.926 121.223 0.137 0.000 2.372 244 L HA 0.419 4.765 4.340 0.009 0.000 0.274 244 L C -1.095 175.982 176.870 0.345 0.000 0.988 244 L CA -0.300 54.687 54.840 0.245 0.000 0.833 244 L CB 1.997 44.193 42.059 0.229 0.000 1.236 244 L HN 0.445 nan 8.230 nan 0.000 0.410 245 F N 3.871 123.982 119.950 0.268 0.000 2.391 245 F HA 0.442 4.974 4.527 0.008 0.000 0.359 245 F C -0.111 175.841 175.800 0.253 0.000 1.122 245 F CA -0.351 57.823 58.000 0.289 0.000 1.120 245 F CB 0.814 40.079 39.000 0.443 0.000 1.142 245 F HN 0.449 nan 8.300 nan 0.000 0.483 246 N N 3.745 122.632 118.700 0.310 0.000 2.491 246 N HA 0.223 4.969 4.740 0.009 0.000 0.274 246 N C -1.148 174.397 175.510 0.059 0.000 1.023 246 N CA -0.542 52.607 53.050 0.164 0.000 0.902 246 N CB 1.915 40.512 38.487 0.183 0.000 1.267 246 N HN 0.390 nan 8.380 nan 0.000 0.503 247 T N 2.337 116.940 114.554 0.082 0.000 2.743 247 T HA 0.341 4.697 4.350 0.009 0.000 0.293 247 T C -0.423 174.257 174.700 -0.034 0.000 0.945 247 T CA -0.065 62.142 62.100 0.178 0.000 1.030 247 T CB 0.131 69.224 68.868 0.374 0.000 0.912 247 T HN 0.222 nan 8.240 nan 0.000 0.483 248 Y N 2.023 122.487 120.300 0.273 0.000 2.402 248 Y HA 0.464 5.019 4.550 0.008 0.000 0.332 248 Y C 0.100 176.247 175.900 0.411 0.000 0.960 248 Y CA -1.067 57.238 58.100 0.341 0.000 1.228 248 Y CB 0.780 39.478 38.460 0.397 0.000 1.120 248 Y HN 0.327 nan 8.280 nan 0.000 0.491 249 V N 3.865 124.024 119.914 0.409 0.000 2.509 249 V HA 0.220 4.345 4.120 0.009 0.000 0.284 249 V C -0.244 175.985 176.094 0.226 0.000 1.047 249 V CA -0.606 61.897 62.300 0.339 0.000 0.952 249 V CB 1.084 33.103 31.823 0.327 0.000 0.988 249 V HN 0.748 nan 8.190 nan 0.000 0.469 250 H N 4.714 123.709 119.070 -0.124 0.000 2.823 250 H HA 0.434 4.995 4.556 0.008 0.000 0.332 250 H C -2.024 173.214 175.328 -0.151 0.000 0.980 250 H CA -0.598 55.165 56.048 -0.474 0.000 1.286 250 H CB 1.527 30.281 29.762 -1.681 0.000 1.541 250 H HN 0.601 nan 8.280 nan 0.000 0.521 251 F N 4.238 123.906 119.950 -0.469 0.000 2.480 251 F HA 0.391 4.923 4.527 0.008 0.000 0.329 251 F C -1.073 174.388 175.800 -0.564 0.000 1.091 251 F CA -0.349 57.407 58.000 -0.406 0.000 0.972 251 F CB 1.772 40.624 39.000 -0.247 0.000 1.150 251 F HN 0.557 nan 8.300 nan 0.000 0.467 252 Q N 3.416 122.559 119.800 -1.094 0.000 2.323 252 Q HA 0.600 4.945 4.340 0.009 0.000 0.271 252 Q C -0.918 174.572 176.000 -0.849 0.000 1.048 252 Q CA -1.117 54.259 55.803 -0.712 0.000 0.792 252 Q CB 2.414 30.846 28.738 -0.511 0.000 1.280 252 Q HN 0.933 nan 8.270 nan 0.000 0.441 253 G N 0.663 109.249 108.800 -0.356 0.000 2.542 253 G HA2 0.579 4.545 3.960 0.009 0.000 0.311 253 G HA3 0.579 4.545 3.960 0.009 0.000 0.311 253 G C -0.994 173.840 174.900 -0.110 0.000 1.298 253 G CA -0.324 44.677 45.100 -0.165 0.000 0.973 253 G HN 0.355 nan 8.290 nan 0.000 0.487 254 T N 3.787 118.285 114.554 -0.092 0.000 2.864 254 T HA 0.277 4.632 4.350 0.009 0.000 0.310 254 T C 0.491 175.167 174.700 -0.040 0.000 1.040 254 T CA -0.453 61.608 62.100 -0.064 0.000 0.977 254 T CB 0.784 69.617 68.868 -0.058 0.000 0.976 254 T HN 0.362 nan 8.240 nan 0.000 0.459 255 M N 3.656 123.215 119.600 -0.069 0.000 2.618 255 M HA 0.190 4.675 4.480 0.009 0.000 0.322 255 M C 0.705 177.088 176.300 0.138 0.000 1.471 255 M CA -0.003 55.241 55.300 -0.093 0.000 1.450 255 M CB -0.486 31.844 32.600 -0.450 0.000 1.444 255 M HN 0.349 nan 8.290 nan 0.000 0.471 256 R N 1.087 121.679 120.500 0.154 0.000 2.489 256 R HA 0.251 4.597 4.340 0.009 0.000 0.287 256 R C 1.043 177.509 176.300 0.276 0.000 1.053 256 R CA 1.300 57.504 56.100 0.173 0.000 1.036 256 R CB 0.398 30.767 30.300 0.115 0.000 0.966 256 R HN 0.977 nan 8.270 nan 0.000 0.432 257 G N 3.314 112.234 108.800 0.200 0.000 2.176 257 G HA2 -0.286 3.679 3.960 0.009 0.000 0.253 257 G HA3 -0.286 3.679 3.960 0.009 0.000 0.253 257 G C -0.130 174.804 174.900 0.057 0.000 0.979 257 G CA -0.129 45.045 45.100 0.124 0.000 0.641 257 G HN 0.536 nan 8.290 nan 0.000 0.530 258 F N 1.469 121.448 119.950 0.048 0.000 2.440 258 F HA 0.696 5.229 4.527 0.009 0.000 0.328 258 F C 0.857 176.667 175.800 0.016 0.000 1.070 258 F CA 0.051 58.071 58.000 0.034 0.000 1.011 258 F CB 2.233 41.245 39.000 0.021 0.000 1.226 258 F HN 0.333 nan 8.300 nan 0.000 0.491 259 S N 0.482 116.285 115.700 0.171 0.000 2.579 259 S HA 0.335 4.811 4.470 0.009 0.000 0.272 259 S C -1.273 173.379 174.600 0.086 0.000 1.141 259 S CA -1.144 57.115 58.200 0.099 0.000 0.843 259 S CB 1.694 64.924 63.200 0.050 0.000 1.122 259 S HN 0.662 nan 8.310 nan 0.000 0.468 260 Q N 1.661 121.501 119.800 0.066 0.000 2.296 260 Q HA 0.401 4.747 4.340 0.009 0.000 0.263 260 Q C -0.912 175.123 176.000 0.059 0.000 1.026 260 Q CA -0.470 55.368 55.803 0.058 0.000 0.912 260 Q CB 0.224 28.993 28.738 0.053 0.000 1.198 260 Q HN 0.695 nan 8.270 nan 0.000 0.407 261 L N 7.560 128.814 121.223 0.053 0.000 2.455 261 L HA 0.263 4.609 4.340 0.009 0.000 0.272 261 L C -1.746 175.229 176.870 0.174 0.000 1.174 261 L CA -1.869 53.020 54.840 0.083 0.000 0.869 261 L CB 0.073 42.133 42.059 0.001 0.000 1.130 261 L HN 0.611 nan 8.230 nan 0.000 0.474 262 P HA 0.079 nan 4.420 nan 0.000 0.267 262 P C 0.434 177.807 177.300 0.121 0.000 1.200 262 P CA 0.505 63.670 63.100 0.109 0.000 0.772 262 P CB 0.751 32.491 31.700 0.067 0.000 0.855 263 G N 1.006 109.845 108.800 0.066 0.000 2.645 263 G HA2 -0.065 3.901 3.960 0.009 0.000 0.239 263 G HA3 -0.065 3.901 3.960 0.009 0.000 0.239 263 G C -0.240 174.687 174.900 0.045 0.000 1.331 263 G CA -0.094 45.011 45.100 0.009 0.000 0.890 263 G HN 0.739 nan 8.290 nan 0.000 0.572 264 V N -3.264 116.621 119.914 -0.048 0.000 3.177 264 V HA 1.036 5.162 4.120 0.009 0.000 0.319 264 V C 0.093 176.089 176.094 -0.164 0.000 1.125 264 V CA -0.409 61.922 62.300 0.051 0.000 1.029 264 V CB 1.884 33.736 31.823 0.049 0.000 1.119 264 V HN 1.418 nan 8.190 nan 0.000 0.452 265 H N -1.282 117.840 119.070 0.086 0.000 3.008 265 H HA 0.514 5.074 4.556 0.007 0.000 0.354 265 H C -1.085 174.332 175.328 0.148 0.000 1.252 265 H CA -0.452 55.657 56.048 0.102 0.000 1.117 265 H CB 1.474 31.293 29.762 0.095 0.000 1.857 265 H HN 0.912 nan 8.280 nan 0.000 0.547 266 E N 1.764 122.134 120.200 0.283 0.000 2.104 266 E HA 0.147 4.503 4.350 0.009 0.000 0.278 266 E C -1.189 175.620 176.600 0.350 0.000 1.127 266 E CA -0.208 56.363 56.400 0.286 0.000 0.897 266 E CB 0.231 30.091 29.700 0.267 0.000 1.043 266 E HN 0.338 nan 8.360 nan 0.000 0.410 267 F N 5.441 125.539 119.950 0.245 0.000 2.415 267 F HA 0.327 4.856 4.527 0.002 0.000 0.348 267 F C -0.979 175.036 175.800 0.358 0.000 1.119 267 F CA -0.886 57.271 58.000 0.263 0.000 1.069 267 F CB 0.632 39.746 39.000 0.190 0.000 1.124 267 F HN 0.484 nan 8.300 nan 0.000 0.472 268 W N 7.224 128.300 121.300 -0.372 0.000 2.481 268 W HA 0.305 4.975 4.660 0.016 0.000 0.320 268 W C 0.591 177.070 176.519 -0.066 0.000 1.209 268 W CA -0.814 56.425 57.345 -0.176 0.000 1.400 268 W CB 0.634 29.966 29.460 -0.213 0.000 1.361 268 W HN 0.329 nan 8.180 nan 0.000 0.456 269 V N 2.308 122.380 119.914 0.263 0.000 2.591 269 V HA -0.125 4.001 4.120 0.009 0.000 0.249 269 V C 0.376 176.553 176.094 0.139 0.000 1.053 269 V CA 1.779 64.233 62.300 0.258 0.000 1.068 269 V CB -0.758 31.173 31.823 0.181 0.000 0.689 269 V HN 0.555 nan 8.190 nan 0.000 0.462 270 D N -3.870 116.554 120.400 0.040 0.000 2.768 270 D HA 0.202 4.847 4.640 0.009 0.000 0.327 270 D C 0.256 176.466 176.300 -0.151 0.000 1.302 270 D CA -0.667 53.338 54.000 0.009 0.000 0.897 270 D CB 0.029 40.819 40.800 -0.016 0.000 1.420 270 D HN -0.252 nan 8.370 nan 0.000 0.494 271 N N -0.417 118.218 118.700 -0.108 0.000 2.060 271 N HA -0.191 4.554 4.740 0.009 0.000 0.195 271 N C 1.624 176.719 175.510 -0.692 0.000 1.028 271 N CA 2.620 55.501 53.050 -0.283 0.000 0.861 271 N CB -0.384 38.077 38.487 -0.043 0.000 1.029 271 N HN 0.532 nan 8.380 nan 0.000 0.428 272 S N -0.372 115.087 115.700 -0.402 0.000 2.355 272 S HA 0.119 4.595 4.470 0.009 0.000 0.216 272 S C 0.776 175.146 174.600 -0.382 0.000 1.037 272 S CA 0.053 58.045 58.200 -0.346 0.000 0.955 272 S CB -0.372 62.720 63.200 -0.180 0.000 0.877 272 S HN 0.074 nan 8.310 nan 0.000 0.488 273 I N 2.392 122.790 120.570 -0.286 0.000 2.519 273 I HA 0.369 4.545 4.170 0.009 0.000 0.287 273 I C -0.302 175.655 176.117 -0.267 0.000 1.047 273 I CA 0.275 61.450 61.300 -0.208 0.000 1.381 273 I CB 1.372 39.312 38.000 -0.100 0.000 1.417 273 I HN 0.152 nan 8.210 nan 0.000 0.540 274 S N 4.412 120.008 115.700 -0.174 0.000 2.720 274 S HA 0.482 4.957 4.470 0.009 0.000 0.278 274 S C -0.277 174.359 174.600 0.059 0.000 1.172 274 S CA -0.874 57.278 58.200 -0.079 0.000 1.019 274 S CB 1.421 64.531 63.200 -0.150 0.000 1.049 274 S HN 0.524 nan 8.310 nan 0.000 0.483 275 V N 1.259 121.263 119.914 0.150 0.000 3.596 275 V HA 0.804 4.929 4.120 0.009 0.000 0.288 275 V C 0.121 176.319 176.094 0.173 0.000 1.021 275 V CA -0.372 62.012 62.300 0.141 0.000 1.020 275 V CB 1.160 33.066 31.823 0.139 0.000 1.243 275 V HN 0.694 nan 8.190 nan 0.000 0.433 276 S N 0.335 116.113 115.700 0.131 0.000 2.521 276 S HA 0.847 5.323 4.470 0.009 0.000 0.295 276 S C -0.569 174.102 174.600 0.119 0.000 1.098 276 S CA -0.282 57.998 58.200 0.134 0.000 0.999 276 S CB 1.370 64.620 63.200 0.083 0.000 1.034 276 S HN 1.492 nan 8.310 nan 0.000 0.483 277 V N 0.126 120.131 119.914 0.152 0.000 3.188 277 V HA 0.764 4.890 4.120 0.009 0.000 0.305 277 V C -3.025 173.165 176.094 0.159 0.000 1.232 277 V CA -2.763 59.607 62.300 0.116 0.000 1.043 277 V CB 1.627 33.492 31.823 0.071 0.000 1.068 277 V HN 0.601 nan 8.190 nan 0.000 0.439 278 P HA 0.459 nan 4.420 nan 0.000 0.274 278 P C -1.193 176.165 177.300 0.096 0.000 1.231 278 P CA -0.166 63.014 63.100 0.134 0.000 0.790 278 P CB 0.783 32.529 31.700 0.078 0.000 0.951 279 M N 2.701 122.337 119.600 0.059 0.000 2.393 279 M HA 0.438 4.924 4.480 0.009 0.000 0.299 279 M C 0.221 176.510 176.300 -0.017 0.000 1.103 279 M CA -0.903 54.381 55.300 -0.026 0.000 0.910 279 M CB 2.039 34.532 32.600 -0.178 0.000 1.659 279 M HN 0.326 nan 8.290 nan 0.000 0.445 280 I N -0.378 120.203 120.570 0.018 0.000 2.566 280 I HA 0.817 4.992 4.170 0.009 0.000 0.303 280 I C -0.177 176.032 176.117 0.154 0.000 0.983 280 I CA -0.301 61.051 61.300 0.086 0.000 1.235 280 I CB 1.882 39.938 38.000 0.093 0.000 1.386 280 I HN 0.687 nan 8.210 nan 0.000 0.494 281 S N 2.829 118.650 115.700 0.202 0.000 2.543 281 S HA 0.851 5.327 4.470 0.009 0.000 0.271 281 S C -0.749 173.778 174.600 -0.121 0.000 1.148 281 S CA -0.166 58.106 58.200 0.119 0.000 0.914 281 S CB 1.616 64.811 63.200 -0.008 0.000 1.096 281 S HN 1.309 nan 8.310 nan 0.000 0.471 282 G N 2.024 110.465 108.800 -0.598 0.000 2.766 282 G HA2 0.519 4.485 3.960 0.009 0.000 0.297 282 G HA3 0.519 4.485 3.960 0.009 0.000 0.297 282 G C -1.232 173.268 174.900 -0.667 0.000 1.431 282 G CA -0.471 43.977 45.100 -1.086 0.000 1.042 282 G HN 0.660 nan 8.290 nan 0.000 0.542 283 T N 1.094 115.426 114.554 -0.370 0.000 2.744 283 T HA 0.709 5.064 4.350 0.009 0.000 0.291 283 T C 0.573 175.080 174.700 -0.322 0.000 0.957 283 T CA 0.272 62.226 62.100 -0.242 0.000 1.002 283 T CB 1.406 70.163 68.868 -0.184 0.000 0.919 283 T HN 0.997 nan 8.240 nan 0.000 0.468 284 G N 2.019 110.431 108.800 -0.647 0.000 2.866 284 G HA2 0.456 4.421 3.960 0.009 0.000 0.289 284 G HA3 0.456 4.421 3.960 0.009 0.000 0.289 284 G C -1.104 173.094 174.900 -1.171 0.000 1.396 284 G CA -0.854 43.669 45.100 -0.962 0.000 0.848 284 G HN 0.472 nan 8.290 nan 0.000 0.515 285 N N 0.753 118.980 118.700 -0.789 0.000 2.767 285 N HA 0.375 5.121 4.740 0.009 0.000 0.238 285 N C -1.112 174.238 175.510 -0.266 0.000 1.083 285 N CA 0.069 52.863 53.050 -0.427 0.000 0.964 285 N CB 0.231 38.619 38.487 -0.166 0.000 1.252 285 N HN 0.280 nan 8.380 nan 0.000 0.512 286 F N -0.062 119.945 119.950 0.095 0.000 2.470 286 F HA 0.361 4.894 4.527 0.011 0.000 0.329 286 F C 1.107 177.013 175.800 0.176 0.000 1.072 286 F CA -1.222 56.861 58.000 0.138 0.000 0.989 286 F CB 1.469 40.556 39.000 0.144 0.000 1.193 286 F HN -0.034 nan 8.300 nan 0.000 0.481 287 Q N 1.116 121.172 119.800 0.427 0.000 2.286 287 Q HA 0.266 4.612 4.340 0.009 0.000 0.257 287 Q C -1.219 175.079 176.000 0.497 0.000 0.941 287 Q CA -0.060 55.990 55.803 0.411 0.000 0.912 287 Q CB 1.048 30.023 28.738 0.396 0.000 1.192 287 Q HN 0.567 nan 8.270 nan 0.000 0.410 288 H N 2.548 121.850 119.070 0.386 0.000 3.083 288 H HA 0.461 5.022 4.556 0.009 0.000 0.339 288 H C -1.905 173.636 175.328 0.355 0.000 1.020 288 H CA -0.732 55.470 56.048 0.257 0.000 1.360 288 H CB 0.735 30.592 29.762 0.158 0.000 1.811 288 H HN 0.714 nan 8.280 nan 0.000 0.493 289 W N 2.749 123.845 121.300 -0.340 0.000 3.003 289 W HA 0.744 5.412 4.660 0.012 0.000 0.362 289 W C -1.777 174.548 176.519 -0.324 0.000 1.213 289 W CA -1.193 56.012 57.345 -0.234 0.000 1.157 289 W CB 1.241 30.652 29.460 -0.081 0.000 1.493 289 W HN 0.592 nan 8.180 nan 0.000 0.589 290 S N 1.094 116.769 115.700 -0.041 0.000 2.733 290 S HA 0.167 4.643 4.470 0.009 0.000 0.294 290 S C -1.459 173.065 174.600 -0.126 0.000 1.149 290 S CA -0.551 57.540 58.200 -0.181 0.000 1.034 290 S CB 0.661 63.837 63.200 -0.041 0.000 1.015 290 S HN 0.531 nan 8.310 nan 0.000 0.486 291 D N 4.707 124.834 120.400 -0.455 0.000 2.435 291 D HA 0.277 4.922 4.640 0.009 0.000 0.230 291 D C 1.168 177.221 176.300 -0.413 0.000 1.215 291 D CA -0.126 53.584 54.000 -0.484 0.000 0.947 291 D CB 1.104 41.291 40.800 -1.021 0.000 1.048 291 D HN 0.668 nan 8.370 nan 0.000 0.512 292 A N 3.878 126.585 122.820 -0.189 0.000 2.067 292 A HA -0.207 4.119 4.320 0.009 0.000 0.219 292 A C 2.020 179.535 177.584 -0.114 0.000 1.158 292 A CA 1.226 53.191 52.037 -0.120 0.000 0.661 292 A CB -0.308 18.667 19.000 -0.042 0.000 0.801 292 A HN 0.722 nan 8.150 nan 0.000 0.452 293 Q N -0.003 119.727 119.800 -0.116 0.000 2.020 293 Q HA -0.173 4.172 4.340 0.009 0.000 0.202 293 Q C 0.923 176.881 176.000 -0.070 0.000 0.982 293 Q CA 1.820 57.579 55.803 -0.073 0.000 0.838 293 Q CB -0.173 28.535 28.738 -0.049 0.000 0.899 293 Q HN 0.586 nan 8.270 nan 0.000 0.423 294 N N 0.457 119.098 118.700 -0.098 0.000 2.203 294 N HA 0.068 4.814 4.740 0.009 0.000 0.207 294 N C -0.869 174.625 175.510 -0.027 0.000 1.130 294 N CA 0.404 53.454 53.050 0.001 0.000 0.861 294 N CB 0.443 39.046 38.487 0.194 0.000 1.005 294 N HN 0.326 nan 8.380 nan 0.000 0.507 295 N N 0.354 118.921 118.700 -0.222 0.000 2.708 295 N HA -0.198 4.548 4.740 0.009 0.000 0.255 295 N C -1.149 173.979 175.510 -0.636 0.000 1.046 295 N CA 0.648 53.442 53.050 -0.426 0.000 0.715 295 N CB -1.723 36.668 38.487 -0.161 0.000 0.895 295 N HN 0.429 nan 8.380 nan 0.000 0.545 296 F N -2.787 116.676 119.950 -0.810 0.000 2.711 296 F HA 0.853 5.386 4.527 0.010 0.000 0.313 296 F C -0.844 174.752 175.800 -0.341 0.000 1.141 296 F CA -0.963 56.687 58.000 -0.583 0.000 0.941 296 F CB 1.165 39.959 39.000 -0.343 0.000 1.349 296 F HN -0.014 nan 8.300 nan 0.000 0.464 297 S N 0.722 116.433 115.700 0.018 0.000 2.548 297 S HA 0.808 5.283 4.470 0.009 0.000 0.276 297 S C -1.559 172.882 174.600 -0.265 0.000 1.129 297 S CA -0.718 57.346 58.200 -0.226 0.000 0.931 297 S CB 1.240 64.388 63.200 -0.086 0.000 1.068 297 S HN 0.796 nan 8.310 nan 0.000 0.480 298 V N 1.974 121.450 119.914 -0.730 0.000 2.732 298 V HA 0.792 4.917 4.120 0.009 0.000 0.310 298 V C -0.127 175.569 176.094 -0.663 0.000 1.053 298 V CA -0.486 61.392 62.300 -0.703 0.000 0.957 298 V CB 1.907 33.066 31.823 -1.107 0.000 1.018 298 V HN 1.062 nan 8.190 nan 0.000 0.452 299 T N 1.914 116.332 114.554 -0.227 0.000 3.011 299 T HA 0.367 4.723 4.350 0.009 0.000 0.303 299 T C -0.794 173.944 174.700 0.063 0.000 0.997 299 T CA -0.317 61.804 62.100 0.035 0.000 1.007 299 T CB 1.032 70.009 68.868 0.181 0.000 1.017 299 T HN 0.727 nan 8.240 nan 0.000 0.443 300 C N 3.800 123.199 119.300 0.165 0.000 2.298 300 C HA 0.832 5.298 4.460 0.009 0.000 0.323 300 C C 0.409 175.477 174.990 0.131 0.000 1.284 300 C CA -0.974 58.150 59.018 0.177 0.000 1.577 300 C CB -0.311 27.599 27.740 0.283 0.000 2.249 300 C HN 0.808 nan 8.230 nan 0.000 0.497 301 V N 1.617 121.534 119.914 0.004 0.000 2.656 301 V HA 0.708 4.834 4.120 0.009 0.000 0.307 301 V C -2.942 173.175 176.094 0.039 0.000 1.051 301 V CA -2.445 59.791 62.300 -0.108 0.000 0.893 301 V CB 1.518 33.015 31.823 -0.543 0.000 0.999 301 V HN 0.639 nan 8.190 nan 0.000 0.426 302 P HA 0.461 nan 4.420 nan 0.000 0.275 302 P C -0.597 176.763 177.300 0.100 0.000 1.227 302 P CA -0.111 63.074 63.100 0.142 0.000 0.781 302 P CB 0.694 32.502 31.700 0.180 0.000 0.906 303 L N 2.702 123.979 121.223 0.089 0.000 2.709 303 L HA 0.560 4.906 4.340 0.009 0.000 0.236 303 L C 0.743 177.660 176.870 0.079 0.000 1.266 303 L CA -0.254 54.630 54.840 0.074 0.000 0.987 303 L CB -0.132 41.978 42.059 0.085 0.000 1.306 303 L HN 0.704 nan 8.230 nan 0.000 0.467 304 G N 1.003 109.853 108.800 0.082 0.000 2.661 304 G HA2 -0.195 3.771 3.960 0.009 0.000 0.685 304 G HA3 -0.195 3.771 3.960 0.009 0.000 0.685 304 G C 0.448 175.394 174.900 0.077 0.000 1.298 304 G CA -0.021 45.123 45.100 0.072 0.000 0.855 304 G HN 0.700 nan 8.290 nan 0.000 0.560 305 E N -0.392 119.847 120.200 0.065 0.000 2.409 305 E HA 0.010 4.366 4.350 0.009 0.000 0.198 305 E C 2.036 178.671 176.600 0.058 0.000 1.024 305 E CA 1.060 57.498 56.400 0.064 0.000 0.861 305 E CB 0.228 29.959 29.700 0.053 0.000 0.788 305 E HN 0.538 nan 8.360 nan 0.000 0.521 306 R N 0.759 121.288 120.500 0.048 0.000 2.040 306 R HA 0.285 4.630 4.340 0.009 0.000 0.209 306 R C 0.747 177.070 176.300 0.038 0.000 1.281 306 R CA 0.533 56.651 56.100 0.031 0.000 1.064 306 R CB 0.005 30.313 30.300 0.013 0.000 0.950 306 R HN 0.110 nan 8.270 nan 0.000 0.462 307 A N 1.361 124.211 122.820 0.049 0.000 2.498 307 A HA 0.233 4.559 4.320 0.009 0.000 0.239 307 A C -0.439 177.213 177.584 0.113 0.000 1.068 307 A CA 0.661 52.741 52.037 0.073 0.000 0.766 307 A CB 0.394 19.448 19.000 0.091 0.000 1.003 307 A HN 0.258 nan 8.150 nan 0.000 0.497 308 T N 2.163 116.811 114.554 0.157 0.000 2.886 308 T HA 0.464 4.820 4.350 0.009 0.000 0.292 308 T C -0.971 173.844 174.700 0.191 0.000 1.012 308 T CA -0.325 61.888 62.100 0.190 0.000 0.982 308 T CB 1.201 70.230 68.868 0.268 0.000 1.018 308 T HN 0.636 nan 8.240 nan 0.000 0.451 309 L N 4.445 125.747 121.223 0.132 0.000 2.265 309 L HA 0.620 4.966 4.340 0.009 0.000 0.289 309 L C -1.365 175.587 176.870 0.136 0.000 1.033 309 L CA -0.553 54.361 54.840 0.123 0.000 0.814 309 L CB 0.153 42.232 42.059 0.034 0.000 1.203 309 L HN 0.481 nan 8.230 nan 0.000 0.423 310 L N 6.163 127.506 121.223 0.201 0.000 2.326 310 L HA 0.490 4.835 4.340 0.009 0.000 0.278 310 L C -0.524 176.487 176.870 0.235 0.000 1.092 310 L CA 0.189 55.155 54.840 0.211 0.000 0.810 310 L CB 1.234 43.452 42.059 0.265 0.000 1.153 310 L HN 0.514 nan 8.230 nan 0.000 0.439 311 L N 4.931 126.248 121.223 0.158 0.000 2.376 311 L HA 0.538 4.884 4.340 0.009 0.000 0.275 311 L C -1.057 175.880 176.870 0.112 0.000 0.987 311 L CA -0.491 54.443 54.840 0.158 0.000 0.828 311 L CB 1.699 43.751 42.059 -0.012 0.000 1.249 311 L HN 0.386 nan 8.230 nan 0.000 0.409 312 I N 2.854 123.522 120.570 0.162 0.000 2.362 312 I HA 0.323 4.498 4.170 0.009 0.000 0.289 312 I C -0.090 176.089 176.117 0.104 0.000 0.994 312 I CA -0.118 61.214 61.300 0.053 0.000 1.158 312 I CB 1.567 39.485 38.000 -0.136 0.000 1.315 312 I HN 0.519 nan 8.210 nan 0.000 0.451 313 Q N 7.631 127.497 119.800 0.110 0.000 2.325 313 Q HA 0.420 4.766 4.340 0.009 0.000 0.262 313 Q C -2.392 173.716 176.000 0.179 0.000 0.968 313 Q CA -1.811 54.082 55.803 0.150 0.000 0.877 313 Q CB 2.245 31.055 28.738 0.121 0.000 1.253 313 Q HN 0.313 nan 8.270 nan 0.000 0.448 314 P HA 0.054 nan 4.420 nan 0.000 0.278 314 P C -0.128 177.315 177.300 0.238 0.000 1.238 314 P CA -0.160 63.020 63.100 0.133 0.000 0.794 314 P CB 1.024 32.754 31.700 0.051 0.000 0.955 315 H N 0.261 119.355 119.070 0.040 0.000 2.462 315 H HA 0.037 4.598 4.556 0.008 0.000 0.292 315 H C 0.940 176.274 175.328 0.010 0.000 1.049 315 H CA 0.248 56.304 56.048 0.013 0.000 1.334 315 H CB -0.297 29.469 29.762 0.005 0.000 1.404 315 H HN 0.544 nan 8.280 nan 0.000 0.544 316 C N -1.740 117.646 119.300 0.144 0.000 3.090 316 C HA 0.423 4.889 4.460 0.009 0.000 0.305 316 C C 1.697 176.738 174.990 0.085 0.000 1.292 316 C CA -1.107 57.968 59.018 0.096 0.000 1.482 316 C CB 0.231 28.022 27.740 0.085 0.000 1.897 316 C HN 0.142 nan 8.230 nan 0.000 0.469 317 I N 2.580 123.206 120.570 0.093 0.000 2.315 317 I HA -0.098 4.078 4.170 0.009 0.000 0.248 317 I C 2.702 178.857 176.117 0.063 0.000 1.117 317 I CA 2.178 63.532 61.300 0.090 0.000 1.404 317 I CB -0.372 37.698 38.000 0.118 0.000 1.071 317 I HN 0.906 nan 8.210 nan 0.000 0.419 318 S N -0.473 115.260 115.700 0.054 0.000 2.507 318 S HA -0.173 4.303 4.470 0.009 0.000 0.235 318 S C 1.631 176.243 174.600 0.021 0.000 0.988 318 S CA 1.192 59.413 58.200 0.035 0.000 0.944 318 S CB -0.412 62.807 63.200 0.032 0.000 0.762 318 S HN 0.443 nan 8.310 nan 0.000 0.526 319 D N 0.384 120.797 120.400 0.022 0.000 2.339 319 D HA 0.154 4.799 4.640 0.009 0.000 0.217 319 D C 1.446 177.732 176.300 -0.024 0.000 1.050 319 D CA -0.091 53.909 54.000 0.001 0.000 0.856 319 D CB -0.211 40.595 40.800 0.010 0.000 0.922 319 D HN 0.308 nan 8.370 nan 0.000 0.518 320 L N 0.628 121.845 121.223 -0.010 0.000 1.989 320 L HA -0.155 4.191 4.340 0.009 0.000 0.211 320 L C 1.393 178.226 176.870 -0.061 0.000 1.071 320 L CA 1.917 56.739 54.840 -0.030 0.000 0.749 320 L CB -0.509 41.556 42.059 0.010 0.000 0.890 320 L HN -0.074 nan 8.230 nan 0.000 0.431 321 D N -0.925 119.454 120.400 -0.036 0.000 2.117 321 D HA -0.199 4.447 4.640 0.009 0.000 0.197 321 D C 2.282 178.544 176.300 -0.063 0.000 0.987 321 D CA 1.108 55.086 54.000 -0.036 0.000 0.829 321 D CB -0.221 40.568 40.800 -0.019 0.000 0.961 321 D HN 0.338 nan 8.370 nan 0.000 0.460 322 R N 0.739 121.198 120.500 -0.067 0.000 2.091 322 R HA -0.119 4.226 4.340 0.009 0.000 0.238 322 R C 2.084 178.297 176.300 -0.145 0.000 1.136 322 R CA 1.084 57.135 56.100 -0.082 0.000 0.959 322 R CB -0.187 30.076 30.300 -0.061 0.000 0.856 322 R HN 0.047 nan 8.270 nan 0.000 0.437 323 V N 1.055 120.851 119.914 -0.196 0.000 2.358 323 V HA -0.218 3.907 4.120 0.009 0.000 0.246 323 V C 2.343 178.164 176.094 -0.454 0.000 1.047 323 V CA 2.147 64.228 62.300 -0.364 0.000 1.035 323 V CB -0.638 30.938 31.823 -0.411 0.000 0.658 323 V HN 0.482 nan 8.190 nan 0.000 0.452 324 E N 0.715 120.715 120.200 -0.333 0.000 2.049 324 E HA -0.287 4.069 4.350 0.009 0.000 0.198 324 E C 2.231 178.706 176.600 -0.208 0.000 1.007 324 E CA 1.748 57.954 56.400 -0.324 0.000 0.809 324 E CB -0.323 29.334 29.700 -0.072 0.000 0.749 324 E HN 0.534 nan 8.360 nan 0.000 0.450 325 A N 0.740 123.501 122.820 -0.099 0.000 1.940 325 A HA -0.187 4.139 4.320 0.009 0.000 0.219 325 A C 2.140 179.668 177.584 -0.093 0.000 1.176 325 A CA 1.480 53.494 52.037 -0.038 0.000 0.631 325 A CB -0.640 18.340 19.000 -0.035 0.000 0.814 325 A HN 0.400 nan 8.150 nan 0.000 0.446 326 L N -0.390 120.720 121.223 -0.189 0.000 2.072 326 L HA -0.054 4.291 4.340 0.009 0.000 0.205 326 L C 2.425 179.128 176.870 -0.277 0.000 1.079 326 L CA 1.720 56.433 54.840 -0.211 0.000 0.752 326 L CB -0.286 41.627 42.059 -0.243 0.000 0.906 326 L HN 0.262 nan 8.230 nan 0.000 0.436 327 I N -1.744 118.540 120.570 -0.477 0.000 2.716 327 I HA -0.034 4.141 4.170 0.009 0.000 0.259 327 I C 1.482 177.608 176.117 0.015 0.000 1.172 327 I CA 0.467 61.443 61.300 -0.539 0.000 1.478 327 I CB -1.034 36.304 38.000 -1.102 0.000 1.104 327 I HN 0.174 nan 8.210 nan 0.000 0.439 328 F N 0.507 120.426 119.950 -0.052 0.000 2.925 328 F HA 0.337 4.868 4.527 0.006 0.000 0.302 328 F C 1.210 176.848 175.800 -0.270 0.000 1.189 328 F CA -0.442 57.550 58.000 -0.013 0.000 1.346 328 F CB 0.114 39.168 39.000 0.090 0.000 0.954 328 F HN 0.201 nan 8.300 nan 0.000 0.506 332 L N 0.765 121.986 121.223 -0.003 0.000 2.156 332 L HA 0.141 4.487 4.340 0.009 0.000 0.208 332 L C 0.617 177.437 176.870 -0.083 0.000 1.095 332 L CA 0.651 55.491 54.840 0.000 0.000 0.770 332 L CB -0.264 41.795 42.059 0.001 0.000 0.914 332 L HN 0.092 nan 8.230 nan 0.000 0.439 333 L N 0.614 121.748 121.223 -0.147 0.000 3.660 333 L HA -0.252 4.094 4.340 0.009 0.000 0.440 333 L C 1.367 177.895 176.870 -0.570 0.000 1.262 333 L CA 0.299 54.839 54.840 -0.499 0.000 0.837 333 L CB -1.950 39.819 42.059 -0.483 0.000 1.689 333 L HN 0.469 nan 8.230 nan 0.000 0.890 334 T N -4.448 109.944 114.554 -0.269 0.000 3.085 334 T HA -0.102 4.254 4.350 0.009 0.000 0.263 334 T C 1.405 176.042 174.700 -0.105 0.000 1.127 334 T CA 0.693 62.697 62.100 -0.160 0.000 1.103 334 T CB -0.242 68.601 68.868 -0.041 0.000 0.921 334 T HN 0.733 nan 8.240 nan 0.000 0.510 335 W N 1.281 122.601 121.300 0.033 0.000 2.825 335 W HA 0.302 4.968 4.660 0.010 0.000 0.243 335 W C 0.106 176.692 176.519 0.111 0.000 1.293 335 W CA -0.766 56.629 57.345 0.082 0.000 1.403 335 W CB -0.856 28.712 29.460 0.179 0.000 1.134 335 W HN 0.176 nan 8.180 nan 0.000 0.666 336 I N 3.281 123.628 120.570 -0.372 0.000 2.577 336 I HA -0.061 4.115 4.170 0.009 0.000 0.299 336 I C 0.488 176.441 176.117 -0.274 0.000 1.157 336 I CA 0.913 62.065 61.300 -0.248 0.000 1.418 336 I CB -0.229 37.506 38.000 -0.442 0.000 1.467 336 I HN -0.096 nan 8.210 nan 0.000 0.624 337 E N 4.993 124.860 120.200 -0.555 0.000 2.349 337 E HA 0.155 4.511 4.350 0.009 0.000 0.262 337 E C -0.321 175.950 176.600 -0.549 0.000 1.088 337 E CA -0.369 55.630 56.400 -0.669 0.000 0.899 337 E CB 0.675 29.762 29.700 -1.022 0.000 1.044 337 E HN 0.395 nan 8.360 nan 0.000 0.420 338 N N 2.710 121.222 118.700 -0.313 0.000 3.012 338 N HA 0.214 4.960 4.740 0.009 0.000 0.270 338 N C -2.435 173.012 175.510 -0.105 0.000 1.469 338 N CA -0.995 51.967 53.050 -0.147 0.000 0.928 338 N CB 0.647 39.089 38.487 -0.075 0.000 1.219 338 N HN 0.293 nan 8.380 nan 0.000 0.492 339 P HA 0.473 nan 4.420 nan 0.000 0.278 339 P C -2.756 174.574 177.300 0.050 0.000 1.266 339 P CA -1.471 61.619 63.100 -0.018 0.000 0.807 339 P CB 0.294 32.003 31.700 0.015 0.000 1.094 340 P HA 0.215 nan 4.420 nan 0.000 0.267 340 P C -2.335 175.022 177.300 0.095 0.000 1.209 340 P CA -0.830 62.307 63.100 0.061 0.000 0.763 340 P CB -1.055 30.670 31.700 0.042 0.000 0.816 341 P HA 0.138 nan 4.420 nan 0.000 0.280 341 P C 0.086 177.429 177.300 0.072 0.000 1.300 341 P CA -0.254 62.923 63.100 0.128 0.000 0.785 341 P CB 0.444 32.227 31.700 0.138 0.000 0.874 342 R N 2.703 123.254 120.500 0.084 0.000 2.574 342 R HA 0.619 4.965 4.340 0.009 0.000 0.266 342 R C -0.273 176.004 176.300 -0.037 0.000 1.157 342 R CA -0.800 55.318 56.100 0.029 0.000 1.187 342 R CB 0.061 30.393 30.300 0.053 0.000 1.179 342 R HN 0.304 nan 8.270 nan 0.000 0.600 343 A N 2.137 124.919 122.820 -0.064 0.000 2.457 343 A HA 0.316 4.642 4.320 0.009 0.000 0.298 343 A C -0.024 177.492 177.584 -0.113 0.000 1.288 343 A CA -0.458 51.506 52.037 -0.122 0.000 0.956 343 A CB -0.318 18.623 19.000 -0.098 0.000 1.135 343 A HN 0.483 nan 8.150 nan 0.000 0.535 344 I N 2.006 122.486 120.570 -0.150 0.000 2.441 344 I HA 0.381 4.556 4.170 0.009 0.000 0.295 344 I C 0.603 176.702 176.117 -0.030 0.000 0.994 344 I CA -0.450 60.819 61.300 -0.053 0.000 1.144 344 I CB 1.743 39.820 38.000 0.128 0.000 1.314 344 I HN 0.748 nan 8.210 nan 0.000 0.445 345 R N 5.365 125.851 120.500 -0.023 0.000 2.522 345 R HA 0.377 4.723 4.340 0.009 0.000 0.290 345 R C -0.948 175.369 176.300 0.029 0.000 1.216 345 R CA -0.668 55.420 56.100 -0.020 0.000 1.250 345 R CB 0.311 30.577 30.300 -0.058 0.000 1.143 345 R HN 0.487 nan 8.270 nan 0.000 0.553 346 L N 2.784 124.093 121.223 0.144 0.000 2.380 346 L HA 0.323 4.668 4.340 0.009 0.000 0.273 346 L C -0.860 176.088 176.870 0.129 0.000 1.138 346 L CA 0.979 55.914 54.840 0.158 0.000 0.832 346 L CB 1.630 43.857 42.059 0.279 0.000 1.124 346 L HN 0.515 nan 8.230 nan 0.000 0.454 347 T N 6.819 121.408 114.554 0.057 0.000 3.011 347 T HA 0.602 4.958 4.350 0.009 0.000 0.303 347 T C -0.855 173.835 174.700 -0.017 0.000 0.997 347 T CA -0.470 61.646 62.100 0.027 0.000 1.007 347 T CB 0.899 69.746 68.868 -0.035 0.000 1.017 347 T HN 0.683 nan 8.240 nan 0.000 0.443 348 L N 0.906 122.121 121.223 -0.013 0.000 2.409 348 L HA 0.927 5.272 4.340 0.009 0.000 0.255 348 L C -3.236 173.626 176.870 -0.013 0.000 1.027 348 L CA -3.109 51.695 54.840 -0.061 0.000 0.834 348 L CB 2.000 43.950 42.059 -0.181 0.000 1.426 348 L HN 0.193 nan 8.230 nan 0.000 0.411 349 P HA 0.109 nan 4.420 nan 0.000 0.276 349 P C -1.223 176.066 177.300 -0.018 0.000 1.230 349 P CA -0.045 63.073 63.100 0.030 0.000 0.776 349 P CB 0.713 32.424 31.700 0.018 0.000 0.888 350 Q N 2.726 122.513 119.800 -0.021 0.000 2.263 350 Q HA 0.062 4.408 4.340 0.009 0.000 0.289 350 Q C -0.779 175.185 176.000 -0.061 0.000 1.061 350 Q CA 0.185 55.964 55.803 -0.040 0.000 0.927 350 Q CB -0.024 28.703 28.738 -0.019 0.000 1.154 350 Q HN 0.446 nan 8.270 nan 0.000 0.378 351 L N 4.467 125.638 121.223 -0.087 0.000 2.292 351 L HA 0.337 4.682 4.340 0.009 0.000 0.284 351 L C 0.071 176.885 176.870 -0.094 0.000 1.065 351 L CA -0.025 54.745 54.840 -0.117 0.000 0.806 351 L CB 1.126 43.071 42.059 -0.191 0.000 1.175 351 L HN 0.675 nan 8.230 nan 0.000 0.431 352 E N 4.857 125.007 120.200 -0.083 0.000 2.873 352 E HA 0.374 4.730 4.350 0.009 0.000 0.232 352 E C -0.945 175.625 176.600 -0.050 0.000 1.123 352 E CA -0.211 56.157 56.400 -0.054 0.000 0.809 352 E CB 1.242 30.924 29.700 -0.031 0.000 1.366 352 E HN 0.484 nan 8.360 nan 0.000 0.400 353 I N 1.731 122.264 120.570 -0.061 0.000 2.428 353 I HA 0.401 4.577 4.170 0.009 0.000 0.296 353 I C 0.219 176.348 176.117 0.020 0.000 0.985 353 I CA -0.514 60.767 61.300 -0.033 0.000 1.260 353 I CB 1.109 39.076 38.000 -0.054 0.000 1.389 353 I HN 0.100 nan 8.210 nan 0.000 0.484 354 R N 3.949 124.480 120.500 0.051 0.000 2.500 354 R HA 0.503 4.848 4.340 0.009 0.000 0.299 354 R C -0.595 175.773 176.300 0.113 0.000 1.038 354 R CA -0.549 55.600 56.100 0.082 0.000 0.903 354 R CB 2.096 32.437 30.300 0.068 0.000 1.177 354 R HN 0.844 nan 8.270 nan 0.000 0.455 355 G N 0.328 109.220 108.800 0.153 0.000 2.470 355 G HA2 0.441 4.406 3.960 0.009 0.000 0.320 355 G HA3 0.441 4.406 3.960 0.009 0.000 0.320 355 G C -1.071 173.919 174.900 0.149 0.000 1.245 355 G CA -0.375 44.851 45.100 0.209 0.000 0.935 355 G HN 0.326 nan 8.290 nan 0.000 0.476 356 S N 1.348 117.140 115.700 0.154 0.000 2.647 356 S HA 0.788 5.263 4.470 0.009 0.000 0.300 356 S C -1.087 173.580 174.600 0.111 0.000 1.129 356 S CA -0.769 57.445 58.200 0.023 0.000 1.029 356 S CB 0.315 63.546 63.200 0.051 0.000 1.007 356 S HN 0.848 nan 8.310 nan 0.000 0.484 357 Y N 1.620 121.941 120.300 0.034 0.000 2.625 357 Y HA 0.669 5.222 4.550 0.006 0.000 0.338 357 Y C -0.751 175.156 175.900 0.011 0.000 1.123 357 Y CA -1.374 56.736 58.100 0.016 0.000 1.046 357 Y CB 0.798 39.262 38.460 0.007 0.000 1.299 357 Y HN 0.493 nan 8.280 nan 0.000 0.464 358 N N 1.790 120.598 118.700 0.180 0.000 2.501 358 N HA 0.193 4.939 4.740 0.009 0.000 0.245 358 N C 0.011 175.584 175.510 0.105 0.000 0.974 358 N CA -0.511 52.593 53.050 0.090 0.000 0.941 358 N CB 1.209 39.728 38.487 0.054 0.000 1.122 358 N HN 0.835 nan 8.380 nan 0.000 0.507 359 L N 3.099 124.375 121.223 0.088 0.000 2.270 359 L HA -0.200 4.146 4.340 0.009 0.000 0.217 359 L C 2.089 178.945 176.870 -0.024 0.000 1.107 359 L CA 1.606 56.475 54.840 0.049 0.000 0.772 359 L CB -0.531 41.518 42.059 -0.016 0.000 0.902 359 L HN 0.671 nan 8.230 nan 0.000 0.439 360 Q N -0.951 118.822 119.800 -0.045 0.000 2.124 360 Q HA -0.214 4.131 4.340 0.009 0.000 0.202 360 Q C 1.729 177.709 176.000 -0.033 0.000 0.977 360 Q CA 1.578 57.345 55.803 -0.061 0.000 0.850 360 Q CB -0.150 28.554 28.738 -0.056 0.000 0.901 360 Q HN 0.545 nan 8.270 nan 0.000 0.429 361 D N 0.478 120.873 120.400 -0.009 0.000 2.123 361 D HA -0.093 4.553 4.640 0.009 0.000 0.200 361 D C 1.984 178.271 176.300 -0.022 0.000 0.976 361 D CA 0.848 54.842 54.000 -0.009 0.000 0.831 361 D CB -0.059 40.744 40.800 0.006 0.000 0.974 361 D HN 0.232 nan 8.370 nan 0.000 0.469 362 L N 0.329 121.540 121.223 -0.020 0.000 2.083 362 L HA -0.119 4.226 4.340 0.009 0.000 0.209 362 L C 2.553 179.399 176.870 -0.040 0.000 1.083 362 L CA 0.710 55.524 54.840 -0.044 0.000 0.752 362 L CB -0.487 41.544 42.059 -0.046 0.000 0.899 362 L HN 0.026 nan 8.230 nan 0.000 0.433 363 L N -0.092 121.108 121.223 -0.037 0.000 2.141 363 L HA -0.128 4.218 4.340 0.009 0.000 0.209 363 L C 2.850 179.701 176.870 -0.031 0.000 1.094 363 L CA 0.926 55.744 54.840 -0.038 0.000 0.763 363 L CB -0.624 41.402 42.059 -0.055 0.000 0.908 363 L HN 0.217 nan 8.230 nan 0.000 0.437 364 A N -0.432 122.370 122.820 -0.030 0.000 2.015 364 A HA -0.200 4.125 4.320 0.009 0.000 0.219 364 A C 2.146 179.716 177.584 -0.022 0.000 1.163 364 A CA 1.456 53.478 52.037 -0.024 0.000 0.646 364 A CB -0.285 18.702 19.000 -0.023 0.000 0.806 364 A HN 0.309 nan 8.150 nan 0.000 0.448 365 E N -0.179 120.004 120.200 -0.028 0.000 2.285 365 E HA -0.088 4.268 4.350 0.009 0.000 0.194 365 E C 0.836 177.421 176.600 -0.024 0.000 0.997 365 E CA 0.731 57.113 56.400 -0.030 0.000 0.845 365 E CB -0.042 29.631 29.700 -0.045 0.000 0.782 365 E HN 0.443 nan 8.360 nan 0.000 0.491 366 D N -0.104 120.284 120.400 -0.021 0.000 2.328 366 D HA 0.044 4.690 4.640 0.009 0.000 0.221 366 D C -0.484 175.815 176.300 -0.002 0.000 1.072 366 D CA 0.134 54.129 54.000 -0.010 0.000 0.850 366 D CB 0.016 40.812 40.800 -0.007 0.000 0.922 366 D HN 0.022 nan 8.370 nan 0.000 0.516 367 K N -0.460 119.936 120.400 -0.006 0.000 3.125 367 K HA -0.168 4.158 4.320 0.009 0.000 0.268 367 K C -0.354 176.245 176.600 -0.001 0.000 1.078 367 K CA 0.320 56.605 56.287 -0.003 0.000 0.775 367 K CB -1.678 30.823 32.500 0.002 0.000 1.253 367 K HN 0.242 nan 8.250 nan 0.000 0.486 368 L N -0.741 120.478 121.223 -0.007 0.000 2.725 368 L HA 0.183 4.529 4.340 0.009 0.000 0.270 368 L C -1.342 175.517 176.870 -0.018 0.000 1.422 368 L CA -1.474 53.361 54.840 -0.008 0.000 0.770 368 L CB 0.642 42.697 42.059 -0.005 0.000 1.081 368 L HN -0.040 nan 8.230 nan 0.000 0.527 369 P HA -0.134 nan 4.420 nan 0.000 0.215 369 P C 1.005 178.289 177.300 -0.027 0.000 1.157 369 P CA 1.507 64.593 63.100 -0.022 0.000 0.868 369 P CB 0.009 31.700 31.700 -0.015 0.000 0.788 370 T N -0.511 114.032 114.554 -0.020 0.000 3.272 370 T HA 0.158 4.514 4.350 0.009 0.000 0.250 370 T C 1.544 176.231 174.700 -0.023 0.000 1.082 370 T CA -0.171 61.917 62.100 -0.019 0.000 0.968 370 T CB -0.626 68.236 68.868 -0.009 0.000 1.015 370 T HN -0.009 nan 8.240 nan 0.000 0.563 371 L N 0.429 121.632 121.223 -0.033 0.000 2.005 371 L HA 0.151 4.497 4.340 0.009 0.000 0.207 371 L C 1.247 178.081 176.870 -0.060 0.000 1.072 371 L CA 1.534 56.351 54.840 -0.038 0.000 0.744 371 L CB 0.053 42.084 42.059 -0.047 0.000 0.895 371 L HN 0.309 nan 8.230 nan 0.000 0.433 372 L N -0.580 120.581 121.223 -0.104 0.000 3.017 372 L HA 0.299 4.644 4.340 0.009 0.000 0.255 372 L C 0.997 177.812 176.870 -0.091 0.000 1.247 372 L CA -0.393 54.359 54.840 -0.147 0.000 1.038 372 L CB 0.094 41.954 42.059 -0.331 0.000 1.380 372 L HN 0.173 nan 8.230 nan 0.000 0.548 373 G N -0.151 108.618 108.800 -0.052 0.000 2.624 373 G HA2 0.319 4.284 3.960 0.009 0.000 0.217 373 G HA3 0.319 4.284 3.960 0.009 0.000 0.217 373 G C 1.119 176.011 174.900 -0.013 0.000 1.506 373 G CA 0.413 45.495 45.100 -0.030 0.000 1.072 373 G HN 0.183 nan 8.290 nan 0.000 0.568 374 A N -1.020 121.797 122.820 -0.006 0.000 1.897 374 A HA 0.067 4.393 4.320 0.009 0.000 0.215 374 A C 2.037 179.624 177.584 0.006 0.000 1.181 374 A CA 1.804 53.842 52.037 0.002 0.000 0.620 374 A CB -0.382 18.619 19.000 0.002 0.000 0.821 374 A HN 0.635 nan 8.150 nan 0.000 0.443 375 E N 0.162 120.364 120.200 0.004 0.000 2.482 375 E HA 0.210 4.566 4.350 0.009 0.000 0.196 375 E C 0.778 177.384 176.600 0.009 0.000 1.047 375 E CA 0.030 56.434 56.400 0.006 0.000 0.869 375 E CB -0.181 29.522 29.700 0.004 0.000 0.836 375 E HN 0.603 nan 8.360 nan 0.000 0.520 376 A N 2.113 124.938 122.820 0.009 0.000 2.540 376 A HA -0.045 4.281 4.320 0.009 0.000 0.239 376 A C 0.308 177.906 177.584 0.023 0.000 1.061 376 A CA -0.074 51.972 52.037 0.016 0.000 0.758 376 A CB 0.105 19.115 19.000 0.016 0.000 0.991 376 A HN 0.066 nan 8.150 nan 0.000 0.502 377 N N 2.476 121.189 118.700 0.021 0.000 2.602 377 N HA 0.285 5.031 4.740 0.009 0.000 0.238 377 N C -0.652 174.862 175.510 0.007 0.000 1.084 377 N CA -0.026 53.032 53.050 0.013 0.000 0.952 377 N CB -0.022 38.470 38.487 0.008 0.000 1.244 377 N HN 0.571 nan 8.380 nan 0.000 0.512 378 L N 2.632 123.858 121.223 0.005 0.000 3.141 378 L HA 0.312 4.657 4.340 0.009 0.000 0.263 378 L C 1.273 178.101 176.870 -0.069 0.000 1.312 378 L CA -0.280 54.543 54.840 -0.030 0.000 1.012 378 L CB 0.056 42.120 42.059 0.007 0.000 1.408 378 L HN 0.298 nan 8.230 nan 0.000 0.559 379 N N 0.550 119.221 118.700 -0.049 0.000 2.520 379 N HA -0.082 4.663 4.740 0.009 0.000 0.185 379 N C 0.841 176.303 175.510 -0.080 0.000 1.068 379 N CA 0.922 53.943 53.050 -0.049 0.000 0.911 379 N CB 0.108 38.577 38.487 -0.029 0.000 0.961 379 N HN 0.573 nan 8.380 nan 0.000 0.446 380 N N 0.107 118.742 118.700 -0.109 0.000 2.398 380 N HA 0.181 4.927 4.740 0.009 0.000 0.188 380 N C 1.357 176.731 175.510 -0.226 0.000 1.122 380 N CA -0.137 52.849 53.050 -0.106 0.000 0.866 380 N CB 0.493 38.947 38.487 -0.055 0.000 0.970 380 N HN 0.196 nan 8.380 nan 0.000 0.462 381 I N -0.107 120.221 120.570 -0.403 0.000 2.400 381 I HA 0.055 4.230 4.170 0.009 0.000 0.248 381 I C 1.397 177.360 176.117 -0.256 0.000 1.109 381 I CA 0.486 61.344 61.300 -0.737 0.000 1.425 381 I CB 0.014 37.555 38.000 -0.765 0.000 1.094 381 I HN 0.064 nan 8.210 nan 0.000 0.425 382 G N -0.868 107.831 108.800 -0.169 0.000 2.870 382 G HA2 0.114 4.080 3.960 0.009 0.000 0.299 382 G HA3 0.114 4.080 3.960 0.009 0.000 0.299 382 G C -0.715 174.017 174.900 -0.280 0.000 1.324 382 G CA -0.199 44.718 45.100 -0.306 0.000 0.808 382 G HN -0.119 nan 8.290 nan 0.000 0.535 383 D N -0.331 119.835 120.400 -0.390 0.000 2.363 383 D HA 0.138 4.783 4.640 0.009 0.000 0.220 383 D C 1.139 177.327 176.300 -0.187 0.000 0.994 383 D CA 1.209 55.065 54.000 -0.240 0.000 0.890 383 D CB 0.189 40.852 40.800 -0.229 0.000 0.906 383 D HN 0.559 nan 8.370 nan 0.000 0.530 384 T N -2.875 111.552 114.554 -0.211 0.000 2.883 384 T HA 0.286 4.641 4.350 0.009 0.000 0.301 384 T C -0.393 174.353 174.700 0.077 0.000 1.158 384 T CA -1.103 60.970 62.100 -0.044 0.000 1.007 384 T CB 1.354 70.226 68.868 0.006 0.000 1.186 384 T HN -0.204 nan 8.240 nan 0.000 0.499 385 N N 3.338 122.088 118.700 0.082 0.000 2.427 385 N HA 0.263 5.009 4.740 0.009 0.000 0.269 385 N C -1.977 173.631 175.510 0.163 0.000 1.235 385 N CA -1.308 51.798 53.050 0.095 0.000 0.934 385 N CB 0.133 38.649 38.487 0.049 0.000 1.121 385 N HN 0.473 nan 8.380 nan 0.000 0.480 386 P HA 0.083 nan 4.420 nan 0.000 0.271 386 P C -0.635 176.666 177.300 0.001 0.000 1.233 386 P CA -0.281 62.845 63.100 0.044 0.000 0.789 386 P CB 0.568 32.210 31.700 -0.096 0.000 0.951 387 R N 1.745 122.210 120.500 -0.058 0.000 2.332 387 R HA 0.320 4.666 4.340 0.009 0.000 0.306 387 R C -1.040 175.243 176.300 -0.028 0.000 1.117 387 R CA -0.805 55.281 56.100 -0.024 0.000 1.108 387 R CB -0.950 29.338 30.300 -0.020 0.000 1.126 387 R HN 0.163 nan 8.270 nan 0.000 0.548 388 V N 4.080 124.004 119.914 0.017 0.000 2.673 388 V HA 0.183 4.309 4.120 0.009 0.000 0.303 388 V C 1.402 177.515 176.094 0.031 0.000 1.046 388 V CA 1.030 63.366 62.300 0.060 0.000 1.126 388 V CB 1.216 33.109 31.823 0.116 0.000 0.934 388 V HN 0.924 nan 8.190 nan 0.000 0.487 389 G N 3.687 112.516 108.800 0.048 0.000 2.662 389 G HA2 0.223 4.188 3.960 0.009 0.000 0.207 389 G HA3 0.223 4.188 3.960 0.009 0.000 0.207 389 G C 0.307 175.229 174.900 0.038 0.000 1.154 389 G CA 0.521 45.640 45.100 0.031 0.000 0.837 389 G HN 0.785 nan 8.290 nan 0.000 0.580 390 E N -1.325 118.918 120.200 0.072 0.000 2.429 390 E HA 0.593 4.948 4.350 0.009 0.000 0.276 390 E C -1.894 174.773 176.600 0.111 0.000 0.953 390 E CA -0.888 55.550 56.400 0.064 0.000 0.787 390 E CB 2.283 32.019 29.700 0.059 0.000 1.307 390 E HN -0.094 nan 8.360 nan 0.000 0.458 391 V N 2.354 122.307 119.914 0.065 0.000 2.383 391 V HA 0.221 4.347 4.120 0.009 0.000 0.261 391 V C -0.436 175.704 176.094 0.076 0.000 0.987 391 V CA -0.521 61.838 62.300 0.098 0.000 0.853 391 V CB 0.729 32.473 31.823 -0.130 0.000 1.095 391 V HN 0.644 nan 8.190 nan 0.000 0.461 392 L N 3.559 124.835 121.223 0.089 0.000 2.349 392 L HA 0.500 4.846 4.340 0.009 0.000 0.275 392 L C 0.156 176.952 176.870 -0.123 0.000 1.115 392 L CA 0.134 54.950 54.840 -0.040 0.000 0.820 392 L CB 0.764 42.780 42.059 -0.071 0.000 1.135 392 L HN 0.554 nan 8.230 nan 0.000 0.445 393 N N 2.934 121.461 118.700 -0.289 0.000 2.443 393 N HA 0.214 4.960 4.740 0.009 0.000 0.269 393 N C -1.477 173.760 175.510 -0.456 0.000 0.985 393 N CA -0.342 52.481 53.050 -0.379 0.000 0.921 393 N CB 1.785 39.969 38.487 -0.505 0.000 1.195 393 N HN 0.416 nan 8.380 nan 0.000 0.492 394 S N 3.035 118.594 115.700 -0.235 0.000 2.478 394 S HA 0.568 5.043 4.470 0.009 0.000 0.312 394 S C -0.553 174.111 174.600 0.107 0.000 1.094 394 S CA -0.561 57.603 58.200 -0.060 0.000 1.081 394 S CB 0.577 63.805 63.200 0.047 0.000 1.007 394 S HN 0.372 nan 8.310 nan 0.000 0.475 395 I N 4.043 124.692 120.570 0.132 0.000 2.530 395 I HA 0.537 4.712 4.170 0.009 0.000 0.297 395 I C -1.125 175.091 176.117 0.165 0.000 1.011 395 I CA -0.988 60.435 61.300 0.205 0.000 1.107 395 I CB 1.953 40.113 38.000 0.267 0.000 1.285 395 I HN 0.399 nan 8.210 nan 0.000 0.436 396 L N 7.245 128.554 121.223 0.143 0.000 2.406 396 L HA 0.531 4.876 4.340 0.009 0.000 0.270 396 L C -1.598 175.315 176.870 0.071 0.000 0.982 396 L CA -0.238 54.660 54.840 0.097 0.000 0.843 396 L CB 1.475 43.573 42.059 0.066 0.000 1.225 396 L HN 0.511 nan 8.230 nan 0.000 0.412 397 L N 4.568 125.777 121.223 -0.024 0.000 2.296 397 L HA 0.604 4.950 4.340 0.009 0.000 0.286 397 L C -0.740 176.095 176.870 -0.059 0.000 1.023 397 L CA -0.216 54.558 54.840 -0.111 0.000 0.812 397 L CB 1.229 43.080 42.059 -0.346 0.000 1.223 397 L HN 0.668 nan 8.230 nan 0.000 0.421 398 E N 5.225 125.416 120.200 -0.015 0.000 2.199 398 E HA 0.413 4.768 4.350 0.009 0.000 0.265 398 E C -1.518 175.066 176.600 -0.027 0.000 0.882 398 E CA -0.780 55.598 56.400 -0.036 0.000 0.759 398 E CB 2.953 32.633 29.700 -0.033 0.000 1.148 398 E HN 0.305 nan 8.360 nan 0.000 0.412 399 L N 3.102 124.290 121.223 -0.059 0.000 2.341 399 L HA 0.481 4.826 4.340 0.009 0.000 0.278 399 L C -1.069 175.755 176.870 -0.077 0.000 1.005 399 L CA -0.207 54.593 54.840 -0.068 0.000 0.818 399 L CB 1.176 43.167 42.059 -0.112 0.000 1.259 399 L HN 0.416 nan 8.230 nan 0.000 0.418 400 K N 2.625 122.979 120.400 -0.076 0.000 2.482 400 K HA 0.824 5.149 4.320 0.009 0.000 0.257 400 K C -1.078 175.497 176.600 -0.042 0.000 0.969 400 K CA -0.914 55.341 56.287 -0.052 0.000 0.842 400 K CB 1.953 34.429 32.500 -0.040 0.000 1.359 400 K HN 0.630 nan 8.250 nan 0.000 0.441 401 A N 0.704 123.526 122.820 0.002 0.000 2.440 401 A HA 0.335 4.660 4.320 0.009 0.000 0.251 401 A C 1.054 178.669 177.584 0.051 0.000 1.089 401 A CA 0.480 52.553 52.037 0.060 0.000 0.779 401 A CB 0.154 19.208 19.000 0.089 0.000 1.022 401 A HN 0.906 nan 8.150 nan 0.000 0.492 402 G N 1.553 110.404 108.800 0.084 0.000 2.404 402 G HA2 0.070 4.035 3.960 0.009 0.000 0.214 402 G HA3 0.070 4.035 3.960 0.009 0.000 0.214 402 G C 0.526 175.458 174.900 0.054 0.000 1.189 402 G CA 0.579 45.715 45.100 0.061 0.000 0.789 402 G HN 0.792 nan 8.290 nan 0.000 0.533 403 E N -0.366 119.877 120.200 0.072 0.000 2.227 403 E HA 0.599 4.954 4.350 0.009 0.000 0.268 403 E C -1.126 175.501 176.600 0.044 0.000 0.990 403 E CA -0.455 55.975 56.400 0.049 0.000 0.856 403 E CB 1.924 31.652 29.700 0.046 0.000 1.159 403 E HN 0.113 nan 8.360 nan 0.000 0.401 404 E N 0.666 120.884 120.200 0.030 0.000 2.317 404 E HA 0.220 4.576 4.350 0.009 0.000 0.270 404 E C -1.222 175.391 176.600 0.021 0.000 0.885 404 E CA -0.546 55.870 56.400 0.027 0.000 0.760 404 E CB 1.356 31.069 29.700 0.022 0.000 1.227 404 E HN 0.212 nan 8.360 nan 0.000 0.434 419 A N 2.955 125.741 122.820 -0.056 0.000 2.392 419 A HA 0.794 5.120 4.320 0.009 0.000 0.283 419 A C -1.341 176.206 177.584 -0.061 0.000 1.197 419 A CA -0.745 51.253 52.037 -0.065 0.000 0.895 419 A CB 1.082 20.031 19.000 -0.084 0.000 1.400 419 A HN 0.445 nan 8.150 nan 0.000 0.461 420 L N 1.046 122.226 121.223 -0.071 0.000 2.260 420 L HA 0.450 4.796 4.340 0.009 0.000 0.289 420 L C -1.259 175.547 176.870 -0.106 0.000 1.057 420 L CA -0.363 54.426 54.840 -0.085 0.000 0.811 420 L CB 0.282 42.282 42.059 -0.097 0.000 1.184 420 L HN 0.509 nan 8.230 nan 0.000 0.429 421 D N 4.226 124.572 120.400 -0.090 0.000 2.343 421 D HA 0.301 4.947 4.640 0.009 0.000 0.255 421 D C -0.549 175.687 176.300 -0.108 0.000 1.187 421 D CA 0.297 54.247 54.000 -0.084 0.000 0.875 421 D CB 1.229 41.989 40.800 -0.067 0.000 1.136 421 D HN 0.272 nan 8.370 nan 0.000 0.469 422 V N 2.938 122.790 119.914 -0.104 0.000 2.417 422 V HA 0.488 4.613 4.120 0.009 0.000 0.291 422 V C 0.136 176.190 176.094 -0.066 0.000 1.024 422 V CA -0.494 61.748 62.300 -0.096 0.000 0.861 422 V CB 1.968 33.724 31.823 -0.113 0.000 0.985 422 V HN 0.513 nan 8.190 nan 0.000 0.436 423 T N 5.947 120.455 114.554 -0.077 0.000 2.890 423 T HA 0.467 4.823 4.350 0.009 0.000 0.295 423 T C -0.224 174.416 174.700 -0.100 0.000 0.993 423 T CA -0.366 61.684 62.100 -0.083 0.000 0.979 423 T CB 1.037 69.853 68.868 -0.087 0.000 0.967 423 T HN 0.392 nan 8.240 nan 0.000 0.441 424 L N 3.469 124.628 121.223 -0.108 0.000 2.384 424 L HA 0.212 4.557 4.340 0.009 0.000 0.258 424 L C 1.541 178.433 176.870 0.036 0.000 1.266 424 L CA -0.332 54.442 54.840 -0.109 0.000 1.162 424 L CB -0.344 41.471 42.059 -0.407 0.000 1.375 424 L HN 0.760 nan 8.230 nan 0.000 0.420 425 S N -1.863 113.752 115.700 -0.142 0.000 2.556 425 S HA 0.150 4.625 4.470 0.009 0.000 0.216 425 S C 0.622 174.655 174.600 -0.945 0.000 0.970 425 S CA -0.111 57.892 58.200 -0.329 0.000 0.912 425 S CB 0.172 63.211 63.200 -0.269 0.000 0.790 425 S HN 0.532 nan 8.310 nan 0.000 0.504 426 S N 0.088 115.372 115.700 -0.694 0.000 2.618 426 S HA 0.740 5.215 4.470 0.009 0.000 0.277 426 S C -3.485 171.138 174.600 0.038 0.000 1.138 426 S CA -1.738 56.120 58.200 -0.569 0.000 0.844 426 S CB 0.896 63.987 63.200 -0.183 0.000 1.127 426 S HN -0.019 nan 8.310 nan 0.000 0.474 427 P HA 0.344 nan 4.420 nan 0.000 0.266 427 P C -0.857 176.663 177.300 0.366 0.000 1.193 427 P CA 0.089 63.421 63.100 0.385 0.000 0.770 427 P CB -0.118 31.714 31.700 0.220 0.000 0.836 428 F N -0.296 119.789 119.950 0.225 0.000 2.645 428 F HA 0.622 5.158 4.527 0.014 0.000 0.310 428 F C -1.532 174.394 175.800 0.209 0.000 1.102 428 F CA -1.529 56.571 58.000 0.166 0.000 0.952 428 F CB 0.733 39.833 39.000 0.166 0.000 1.326 428 F HN -0.040 nan 8.300 nan 0.000 0.456 429 L N 2.578 123.970 121.223 0.282 0.000 2.399 429 L HA 0.655 5.000 4.340 0.009 0.000 0.265 429 L C -0.574 176.631 176.870 0.558 0.000 1.089 429 L CA -0.841 54.167 54.840 0.281 0.000 0.802 429 L CB 1.304 43.341 42.059 -0.037 0.000 1.180 429 L HN 0.789 nan 8.230 nan 0.000 0.454 430 F N 0.165 120.333 119.950 0.363 0.000 2.643 430 F HA 0.946 5.477 4.527 0.007 0.000 0.314 430 F C -0.940 175.035 175.800 0.292 0.000 1.096 430 F CA -1.184 57.015 58.000 0.332 0.000 0.953 430 F CB 1.722 40.908 39.000 0.310 0.000 1.345 430 F HN 0.480 nan 8.300 nan 0.000 0.468 431 A N 1.988 124.937 122.820 0.214 0.000 2.540 431 A HA 0.717 5.043 4.320 0.009 0.000 0.297 431 A C -1.898 175.801 177.584 0.192 0.000 1.056 431 A CA -0.592 51.478 52.037 0.055 0.000 0.700 431 A CB 1.130 20.203 19.000 0.122 0.000 1.280 431 A HN 0.841 nan 8.150 nan 0.000 0.398 432 I N 2.682 123.353 120.570 0.169 0.000 2.354 432 I HA 0.385 4.561 4.170 0.009 0.000 0.286 432 I C -0.968 175.294 176.117 0.242 0.000 1.007 432 I CA -0.488 60.934 61.300 0.204 0.000 1.167 432 I CB 1.238 39.336 38.000 0.162 0.000 1.320 432 I HN 0.745 nan 8.210 nan 0.000 0.458 433 Y N 6.707 127.075 120.300 0.113 0.000 2.425 433 Y HA 0.435 4.990 4.550 0.009 0.000 0.344 433 Y C -0.641 175.335 175.900 0.127 0.000 0.969 433 Y CA -0.733 57.421 58.100 0.091 0.000 1.052 433 Y CB 1.612 40.102 38.460 0.050 0.000 1.215 433 Y HN 0.433 nan 8.280 nan 0.000 0.451 434 E N 5.687 125.559 120.200 -0.546 0.000 2.109 434 E HA 0.129 4.485 4.350 0.009 0.000 0.278 434 E C -0.031 176.069 176.600 -0.833 0.000 0.954 434 E CA -0.029 56.109 56.400 -0.437 0.000 0.779 434 E CB 1.617 31.283 29.700 -0.057 0.000 1.093 434 E HN 1.075 nan 8.360 nan 0.000 0.401 435 Q N 2.517 121.999 119.800 -0.530 0.000 2.061 435 Q HA -0.212 4.133 4.340 0.009 0.000 0.204 435 Q C 0.738 176.645 176.000 -0.155 0.000 0.984 435 Q CA 2.156 57.788 55.803 -0.285 0.000 0.846 435 Q CB 0.158 28.895 28.738 -0.002 0.000 0.902 435 Q HN 0.511 nan 8.270 nan 0.000 0.421 436 D N -0.112 120.222 120.400 -0.110 0.000 2.084 436 D HA -0.128 4.518 4.640 0.009 0.000 0.199 436 D C 2.150 178.416 176.300 -0.056 0.000 0.981 436 D CA 1.786 55.757 54.000 -0.049 0.000 0.841 436 D CB -0.321 40.464 40.800 -0.026 0.000 0.997 436 D HN 0.216 nan 8.370 nan 0.000 0.454 437 S N -0.663 114.989 115.700 -0.079 0.000 2.423 437 S HA 0.053 4.528 4.470 0.009 0.000 0.231 437 S C 1.884 176.430 174.600 -0.090 0.000 1.014 437 S CA 1.030 59.186 58.200 -0.073 0.000 0.965 437 S CB -0.387 62.770 63.200 -0.072 0.000 0.785 437 S HN 0.444 nan 8.310 nan 0.000 0.495 438 G N 0.722 109.426 108.800 -0.161 0.000 2.160 438 G HA2 -0.199 3.766 3.960 0.009 0.000 0.244 438 G HA3 -0.199 3.766 3.960 0.009 0.000 0.244 438 G C 0.010 174.869 174.900 -0.069 0.000 1.022 438 G CA 0.231 45.286 45.100 -0.074 0.000 0.741 438 G HN 0.687 nan 8.290 nan 0.000 0.508 439 T N 0.845 115.265 114.554 -0.224 0.000 2.837 439 T HA 0.579 4.934 4.350 0.009 0.000 0.285 439 T C 0.675 175.212 174.700 -0.272 0.000 0.984 439 T CA -0.433 61.493 62.100 -0.289 0.000 1.049 439 T CB 1.747 70.336 68.868 -0.466 0.000 0.947 439 T HN 0.280 nan 8.240 nan 0.000 0.472 440 L N 4.225 125.297 121.223 -0.251 0.000 2.295 440 L HA 0.238 4.584 4.340 0.009 0.000 0.288 440 L C 1.520 178.171 176.870 -0.365 0.000 1.079 440 L CA -0.567 54.139 54.840 -0.223 0.000 0.830 440 L CB 0.303 42.174 42.059 -0.313 0.000 1.200 440 L HN 0.798 nan 8.230 nan 0.000 0.438 441 H N 3.361 122.308 119.070 -0.206 0.000 2.403 441 H HA 0.128 4.689 4.556 0.009 0.000 0.298 441 H C -0.348 174.560 175.328 -0.700 0.000 1.059 441 H CA 1.060 56.887 56.048 -0.368 0.000 1.363 441 H CB 0.436 30.068 29.762 -0.216 0.000 1.410 441 H HN 0.301 nan 8.280 nan 0.000 0.528 442 F N 0.347 120.243 119.950 -0.090 0.000 2.591 442 F HA 0.310 4.843 4.527 0.011 0.000 0.309 442 F C -0.968 174.603 175.800 -0.383 0.000 1.098 442 F CA -1.229 56.655 58.000 -0.193 0.000 0.937 442 F CB 1.764 40.681 39.000 -0.139 0.000 1.250 442 F HN -0.233 nan 8.300 nan 0.000 0.447 443 L N 0.788 121.779 121.223 -0.387 0.000 2.409 443 L HA 1.148 5.494 4.340 0.009 0.000 0.262 443 L C -0.433 175.901 176.870 -0.893 0.000 0.992 443 L CA -0.932 53.395 54.840 -0.854 0.000 0.817 443 L CB 1.526 42.821 42.059 -1.273 0.000 1.350 443 L HN 0.751 nan 8.230 nan 0.000 0.411 444 G N 0.274 108.413 108.800 -1.103 0.000 2.488 444 G HA2 0.639 4.604 3.960 0.009 0.000 0.301 444 G HA3 0.639 4.604 3.960 0.009 0.000 0.301 444 G C -2.134 172.782 174.900 0.026 0.000 1.339 444 G CA -0.976 43.870 45.100 -0.423 0.000 0.803 444 G HN 0.734 nan 8.290 nan 0.000 0.482 445 R N -0.691 120.004 120.500 0.325 0.000 2.628 445 R HA 0.648 4.993 4.340 0.009 0.000 0.288 445 R C -1.631 174.737 176.300 0.114 0.000 0.980 445 R CA -0.565 55.679 56.100 0.241 0.000 0.891 445 R CB 2.296 32.724 30.300 0.214 0.000 1.188 445 R HN 0.370 nan 8.270 nan 0.000 0.450 446 V N 5.034 124.830 119.914 -0.197 0.000 2.284 446 V HA 0.189 4.314 4.120 0.009 0.000 0.274 446 V C 0.168 176.105 176.094 -0.261 0.000 1.023 446 V CA -0.497 61.569 62.300 -0.391 0.000 0.808 446 V CB 1.104 32.375 31.823 -0.920 0.000 1.035 446 V HN 0.897 nan 8.190 nan 0.000 0.445 447 N N 3.265 121.917 118.700 -0.079 0.000 2.416 447 N HA 0.040 4.786 4.740 0.009 0.000 0.177 447 N C 0.490 176.028 175.510 0.047 0.000 1.036 447 N CA 0.364 53.440 53.050 0.044 0.000 0.901 447 N CB 0.264 38.779 38.487 0.047 0.000 0.976 447 N HN 0.782 nan 8.380 nan 0.000 0.444 448 N N -0.538 118.093 118.700 -0.114 0.000 2.446 448 N HA 0.301 5.047 4.740 0.009 0.000 0.272 448 N C -3.126 172.221 175.510 -0.271 0.000 1.127 448 N CA -1.300 51.625 53.050 -0.208 0.000 0.896 448 N CB 2.049 40.498 38.487 -0.065 0.000 1.658 448 N HN -0.294 nan 8.380 nan 0.000 0.483 449 P HA 0.267 nan 4.420 nan 0.000 0.296 449 P C -0.952 176.266 177.300 -0.136 0.000 1.301 449 P CA -0.348 62.602 63.100 -0.250 0.000 0.862 449 P CB 1.502 33.019 31.700 -0.306 0.000 1.046 450 Q N 0.000 119.746 119.800 -0.090 0.000 2.315 450 Q HA 0.000 4.346 4.340 0.009 0.000 0.214 450 Q CA 0.000 55.774 55.803 -0.049 0.000 1.022 450 Q CB 0.000 28.718 28.738 -0.034 0.000 1.108 450 Q HN 0.000 nan 8.270 nan 0.000 0.481